smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NC[C@@H]1CCCN(C(=O)[C@]2(F)CC[NH2+]C2)C1)[C@@H]1CCC[NH2+]1 ZINC000122009353 295663452 /nfs/dbraw/zinc/66/34/52/295663452.db2.gz UAVFXRVPZXKCHF-XEZPLFJOSA-N 2 0 326.416 -0.205 20 0 EBADRP CN1CCN(c2ncc(C[NH2+]CC3(O)CC[NH+](C)CC3)cn2)CC1 ZINC000344557033 282970186 /nfs/dbraw/zinc/97/01/86/282970186.db2.gz UWLQSYIKDYDRKY-UHFFFAOYSA-N 2 0 334.468 -0.225 20 0 EBADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629793304 541315061 /nfs/dbraw/zinc/31/50/61/541315061.db2.gz FAKHNCFEDPEAJI-ZDUSSCGKSA-N 2 0 328.457 -0.391 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)C1 ZINC000642795924 376198503 /nfs/dbraw/zinc/19/85/03/376198503.db2.gz JUZBWKKRPYUEIK-UONOGXRCSA-N 2 0 326.441 -0.720 20 0 EBADRP C[C@H](CCNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)[NH+]1CCCCC1 ZINC000642798400 376206411 /nfs/dbraw/zinc/20/64/11/376206411.db2.gz RCZIHGJEXVHWTP-ILXRZTDVSA-N 2 0 340.468 -0.058 20 0 EBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000643576790 375911005 /nfs/dbraw/zinc/91/10/05/375911005.db2.gz ZHVNMZLUEFBMKY-GJZGRUSLSA-N 2 0 337.468 -0.955 20 0 EBADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)C2)C1 ZINC000643593604 375922245 /nfs/dbraw/zinc/92/22/45/375922245.db2.gz XUKWALGDHZRFLQ-VKJFTORMSA-N 2 0 334.464 -0.001 20 0 EBADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)C2)CC1 ZINC000643594033 375922606 /nfs/dbraw/zinc/92/26/06/375922606.db2.gz ZDCWCGPAAIISRJ-OAGGEKHMSA-N 2 0 334.464 -0.003 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCSC1 ZINC000642768973 376088801 /nfs/dbraw/zinc/08/88/01/376088801.db2.gz YWPJEQPANZRWOC-CVEARBPZSA-N 2 0 340.493 -0.248 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642758095 376081920 /nfs/dbraw/zinc/08/19/20/376081920.db2.gz AMDWIFXSPYNPPA-KFWWJZLASA-N 2 0 338.452 -0.576 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000557226159 376166923 /nfs/dbraw/zinc/16/69/23/376166923.db2.gz JREVOUTYGOSMEQ-UHFFFAOYSA-N 2 0 335.452 -0.144 20 0 EBADRP CC[NH2+]CCCNC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000557310935 376170207 /nfs/dbraw/zinc/17/02/07/376170207.db2.gz XFHXFUHEXKLFAL-KBPBESRZSA-N 2 0 328.457 -0.282 20 0 EBADRP O=S(=O)(N1CCOCC1)N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000557329670 376171704 /nfs/dbraw/zinc/17/17/04/376171704.db2.gz GVJORHQCFPADTG-HNNXBMFYSA-N 2 0 346.497 -0.429 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000584172871 376215937 /nfs/dbraw/zinc/21/59/37/376215937.db2.gz IYNKNGUOUYPVDA-ILXRZTDVSA-N 2 0 341.500 -0.382 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000566090504 376345894 /nfs/dbraw/zinc/34/58/94/376345894.db2.gz ILBLCWLEUZETQO-LSDHHAIUSA-N 3 0 341.500 -0.476 20 0 EBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000569485068 376442134 /nfs/dbraw/zinc/44/21/34/376442134.db2.gz FMDVBUMTJZYLDN-CQSZACIVSA-N 2 0 348.451 -0.725 20 0 EBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000569485063 376442265 /nfs/dbraw/zinc/44/22/65/376442265.db2.gz FMDVBUMTJZYLDN-AWEZNQCLSA-N 2 0 348.451 -0.725 20 0 EBADRP CC(C)C[C@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)N1CCOCC1 ZINC000569568835 376459611 /nfs/dbraw/zinc/45/96/11/376459611.db2.gz PUTLLFFLKIYQIF-MSOLQXFVSA-N 2 0 342.528 -0.069 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000600796246 376502041 /nfs/dbraw/zinc/50/20/41/376502041.db2.gz GPWKNJQMPIQOLN-AWEZNQCLSA-N 2 0 325.457 -0.968 20 0 EBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000642892962 376528189 /nfs/dbraw/zinc/52/81/89/376528189.db2.gz JRSYOKZCLDHNBA-GJZGRUSLSA-N 2 0 337.468 -0.907 20 0 EBADRP COCCN(C)C[C@H](O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000559638046 376598794 /nfs/dbraw/zinc/59/87/94/376598794.db2.gz QORKUCFSQUNUMG-KRWDZBQOSA-N 2 0 329.485 -0.030 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NCC[NH2+]C2CC2)CCN1CC(C)(C)O ZINC000642917933 376748228 /nfs/dbraw/zinc/74/82/28/376748228.db2.gz ICKYBXYYAUOTQL-GFCCVEGCSA-N 2 0 326.441 -0.842 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000561249417 376820782 /nfs/dbraw/zinc/82/07/82/376820782.db2.gz UTTFTGNWZOIHLS-QGZVFWFLSA-N 2 0 340.468 -0.327 20 0 EBADRP COCC[N@H+](C)C[C@H](O)CN1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000569891107 377181477 /nfs/dbraw/zinc/18/14/77/377181477.db2.gz PHOONYLBMFAVSG-JKSUJKDBSA-N 2 0 342.484 -0.836 20 0 EBADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000569957970 377187788 /nfs/dbraw/zinc/18/77/88/377187788.db2.gz YIOODFHFNJSFLC-KFWWJZLASA-N 2 0 338.452 -0.352 20 0 EBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCN(CCC(=O)OC)C[C@@H]1C ZINC000570164335 377214827 /nfs/dbraw/zinc/21/48/27/377214827.db2.gz PPAZVRMRQLYXOW-RYUDHWBXSA-N 2 0 329.397 -0.637 20 0 EBADRP COCCN1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000570177439 377216369 /nfs/dbraw/zinc/21/63/69/377216369.db2.gz FKMRHOFKVWLXPL-HNNXBMFYSA-N 2 0 338.452 -0.526 20 0 EBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NCCN1CCN(c2ccccc2)CC1 ZINC000570265970 377225938 /nfs/dbraw/zinc/22/59/38/377225938.db2.gz ULYRNHDXMHPTJH-HNNXBMFYSA-N 2 0 347.463 -0.222 20 0 EBADRP CN1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)[C@@H](C[NH3+])C1 ZINC000570919191 377300002 /nfs/dbraw/zinc/30/00/02/377300002.db2.gz IBSONJAPVYZCDZ-YOEHRIQHSA-N 2 0 337.468 -0.968 20 0 EBADRP CC[NH+]1CCN(CCCNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000580069404 377352505 /nfs/dbraw/zinc/35/25/05/377352505.db2.gz BTOINHISKDOHLH-OAHLLOKOSA-N 2 0 349.483 -0.040 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000636486015 377423209 /nfs/dbraw/zinc/42/32/09/377423209.db2.gz DAOCVFWPMARMEV-LSDHHAIUSA-N 2 0 328.457 -0.291 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CC1 ZINC000563012376 377442294 /nfs/dbraw/zinc/44/22/94/377442294.db2.gz VAAREMLXNIGTDE-IIAWOOMASA-N 2 0 326.485 -0.122 20 0 EBADRP COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000563061173 377533830 /nfs/dbraw/zinc/53/38/30/377533830.db2.gz ZNMBGYRFSCSGHV-YPMHNXCESA-N 2 0 336.392 -0.187 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000636563196 377614954 /nfs/dbraw/zinc/61/49/54/377614954.db2.gz PORWTKNTXLLWBW-INIZCTEOSA-N 2 0 341.500 -0.230 20 0 EBADRP C[NH+]1CCC[C@@H](NC(=O)COCC(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000591871152 377757944 /nfs/dbraw/zinc/75/79/44/377757944.db2.gz SIUDSQIFAKDWPQ-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP CC(C)C[N@H+](C)CCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595274735 377988389 /nfs/dbraw/zinc/98/83/89/377988389.db2.gz URQVIHUOKWBYDP-KGLIPLIRSA-N 2 0 325.457 -0.082 20 0 EBADRP COC(=O)CCN1CC[C@H]([N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1=O ZINC000595895603 378033191 /nfs/dbraw/zinc/03/31/91/378033191.db2.gz QANBCJUFRVKVDA-KGLIPLIRSA-N 2 0 339.436 -0.162 20 0 EBADRP CCOC(=O)[C@H](N)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000595958816 378038391 /nfs/dbraw/zinc/03/83/91/378038391.db2.gz BGLGAYHQBQNFAY-OAHLLOKOSA-N 2 0 348.447 -0.014 20 0 EBADRP COC(=O)CC[C@H]([NH3+])C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000595976836 378043454 /nfs/dbraw/zinc/04/34/54/378043454.db2.gz BBSWCXZJEYTDFD-GJZGRUSLSA-N 2 0 340.468 -0.106 20 0 EBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+][C@H]3C)C2)CC1 ZINC000599966108 378288803 /nfs/dbraw/zinc/28/88/03/378288803.db2.gz NDKONQSLPSEDQP-SOUVJXGZSA-N 2 0 337.468 -0.909 20 0 EBADRP COC(=O)[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC[N@H+](C)C1 ZINC000602163938 378338172 /nfs/dbraw/zinc/33/81/72/378338172.db2.gz RQBVNYJNXSJGOF-AWEZNQCLSA-N 2 0 341.452 -0.092 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000563143446 378452134 /nfs/dbraw/zinc/45/21/34/378452134.db2.gz NAHZDGOCCUMCTJ-STQMWFEESA-N 2 0 327.473 -0.629 20 0 EBADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1=O ZINC000365415968 378527914 /nfs/dbraw/zinc/52/79/14/378527914.db2.gz SGRKJKYIJBOVSC-KFWWJZLASA-N 2 0 338.452 -0.624 20 0 EBADRP CN1Cc2ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc2C1 ZINC000337526650 378658007 /nfs/dbraw/zinc/65/80/07/378658007.db2.gz GQBLMTHTHAABDW-QGZVFWFLSA-N 2 0 334.420 -0.001 20 0 EBADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[NH2+]CC2)[NH+](C)C)c1 ZINC000337815185 378699148 /nfs/dbraw/zinc/69/91/48/378699148.db2.gz NRSRSNKEYHWTGA-HNNXBMFYSA-N 2 0 334.420 -0.154 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCCC[C@@H]2C(N)=O)C1 ZINC000338947845 378832167 /nfs/dbraw/zinc/83/21/67/378832167.db2.gz XDIVDZKZZLROLC-HUUCEWRRSA-N 2 0 340.468 -0.201 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC000339636632 378964561 /nfs/dbraw/zinc/96/45/61/378964561.db2.gz PKEKWGZBCMUKMK-OAHLLOKOSA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000339652657 378966688 /nfs/dbraw/zinc/96/66/88/378966688.db2.gz ZLLBGDRPCYSFSM-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627469790 379007314 /nfs/dbraw/zinc/00/73/14/379007314.db2.gz FEYULMVPYMWUCB-GXTWGEPZSA-N 2 0 326.441 -0.720 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000563536597 379041927 /nfs/dbraw/zinc/04/19/27/379041927.db2.gz BZGGZPZRRZGHFW-ZNMIVQPWSA-N 2 0 340.468 -0.058 20 0 EBADRP Cn1c2cc(C[NH2+]C[C@H](O)CN3CC[NH+](C)CC3)ccc2oc1=O ZINC000629603022 379071230 /nfs/dbraw/zinc/07/12/30/379071230.db2.gz PGSONTUWRGXYOS-AWEZNQCLSA-N 2 0 334.420 -0.171 20 0 EBADRP COCC[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000073075537 379096064 /nfs/dbraw/zinc/09/60/64/379096064.db2.gz IBFZGTZZRAXPHH-HNNXBMFYSA-N 2 0 340.468 -0.423 20 0 EBADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627475371 379135261 /nfs/dbraw/zinc/13/52/61/379135261.db2.gz LLKRRNYBVVHKGE-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000627472444 379115707 /nfs/dbraw/zinc/11/57/07/379115707.db2.gz QJKLLMXLZVWOOK-OAHLLOKOSA-N 2 0 338.452 -0.575 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000629818321 379159741 /nfs/dbraw/zinc/15/97/41/379159741.db2.gz PKFGJLVQMOIXLY-UHFFFAOYSA-N 2 0 326.441 -0.493 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000627297336 379144949 /nfs/dbraw/zinc/14/49/49/379144949.db2.gz HRLZLYSTODWMOI-HZPDHXFCSA-N 2 0 348.447 -0.018 20 0 EBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)[C@H]2C1 ZINC000629802753 379148215 /nfs/dbraw/zinc/14/82/15/379148215.db2.gz KCPCBQJZBLWADM-DFEHZGFQSA-N 2 0 334.464 -0.003 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC000458447937 379221854 /nfs/dbraw/zinc/22/18/54/379221854.db2.gz XBPWZGXCGSYJBQ-LSDHHAIUSA-N 2 0 328.457 -0.147 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000627302226 379231632 /nfs/dbraw/zinc/23/16/32/379231632.db2.gz DEILNNLAUHPZIZ-UONOGXRCSA-N 2 0 326.441 -0.530 20 0 EBADRP C[N@H+](CC(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCC1 ZINC000629962973 379261254 /nfs/dbraw/zinc/26/12/54/379261254.db2.gz QMXXZKPWNSZODH-AWEZNQCLSA-N 2 0 338.452 -0.480 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000627308297 379293730 /nfs/dbraw/zinc/29/37/30/379293730.db2.gz MBHAEMJNPLNERC-AWEZNQCLSA-N 2 0 328.457 -0.471 20 0 EBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627320164 379322835 /nfs/dbraw/zinc/32/28/35/379322835.db2.gz TVXBGKQBXJNVHS-AWEZNQCLSA-N 2 0 340.468 -0.009 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627328794 379334144 /nfs/dbraw/zinc/33/41/44/379334144.db2.gz NXYSVMTTYKNMAJ-GJZGRUSLSA-N 2 0 340.468 -0.425 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000627332320 379341867 /nfs/dbraw/zinc/34/18/67/379341867.db2.gz WSCKMVKYSRDODH-AWEZNQCLSA-N 2 0 328.457 -0.425 20 0 EBADRP CC1CC[NH+](CCCNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627309145 379296496 /nfs/dbraw/zinc/29/64/96/379296496.db2.gz JGMUKUOXSFLWOB-AWEZNQCLSA-N 2 0 326.441 -0.671 20 0 EBADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC000627311187 379302368 /nfs/dbraw/zinc/30/23/68/379302368.db2.gz PHEIQLAEOOOLHT-INIZCTEOSA-N 2 0 348.447 -0.141 20 0 EBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627311860 379303508 /nfs/dbraw/zinc/30/35/08/379303508.db2.gz JHGRTPJFEGFBBQ-MCIONIFRSA-N 2 0 326.441 -0.672 20 0 EBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627312055 379304662 /nfs/dbraw/zinc/30/46/62/379304662.db2.gz NWYQZMNDQXTGDL-KGLIPLIRSA-N 2 0 340.468 -0.153 20 0 EBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C[NH2+]1 ZINC000627338626 379375924 /nfs/dbraw/zinc/37/59/24/379375924.db2.gz LRXPCLOBEVCUTG-UKRRQHHQSA-N 2 0 339.484 -0.615 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[NH2+]1 ZINC000627483870 379454544 /nfs/dbraw/zinc/45/45/44/379454544.db2.gz MOUAKYYHIGAGGI-KGLIPLIRSA-N 3 0 327.473 -0.805 20 0 EBADRP C[NH+](C)CCNC(=O)c1cccc(CNc2nc(N)[nH+]c(N)n2)c1 ZINC000623932994 379486588 /nfs/dbraw/zinc/48/65/88/379486588.db2.gz MBRSBENBSUCJLK-UHFFFAOYSA-N 2 0 330.396 -0.978 20 0 EBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000642640918 379538608 /nfs/dbraw/zinc/53/86/08/379538608.db2.gz LUBMHOXZIRVDCJ-GDBMZVCRSA-N 2 0 348.447 -0.143 20 0 EBADRP C[C@H]([NH3+])CNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000642056006 379539873 /nfs/dbraw/zinc/53/98/73/379539873.db2.gz KUNWNINLHFXMIP-AWEZNQCLSA-N 2 0 340.468 -0.151 20 0 EBADRP CO[C@@H]1C[NH+](CCOCC[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)C[C@H]1OC ZINC000488036758 379508547 /nfs/dbraw/zinc/50/85/47/379508547.db2.gz SQZFZCGNEGYIDJ-FPCVCCKLSA-N 2 0 332.441 -0.306 20 0 EBADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1nc(N)[nH+]c(N)n1 ZINC000624125990 379512467 /nfs/dbraw/zinc/51/24/67/379512467.db2.gz TVJXZNDRWQOULX-MRXNPFEDSA-N 2 0 329.408 -0.230 20 0 EBADRP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CCOCC1 ZINC000627388947 379578601 /nfs/dbraw/zinc/57/86/01/379578601.db2.gz MNVBHAVZEGHHEA-CQSZACIVSA-N 2 0 338.452 -0.256 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000627398831 379582738 /nfs/dbraw/zinc/58/27/38/379582738.db2.gz XSEWVTSVLGUFOK-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCC[NH2+]C)CC1 ZINC000627405228 379583838 /nfs/dbraw/zinc/58/38/38/379583838.db2.gz XEIOBODCTNRYAD-UHFFFAOYSA-N 2 0 326.441 -0.575 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000627428587 379592243 /nfs/dbraw/zinc/59/22/43/379592243.db2.gz JGQDULATJFXWJK-HNNXBMFYSA-N 2 0 342.484 -0.083 20 0 EBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627428740 379595479 /nfs/dbraw/zinc/59/54/79/379595479.db2.gz NDKZKJQOBTVKSO-KGLIPLIRSA-N 2 0 326.441 -0.672 20 0 EBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[NH2+]1 ZINC000627428849 379596089 /nfs/dbraw/zinc/59/60/89/379596089.db2.gz QASZWLXDENGZFO-BPLDGKMQSA-N 2 0 338.452 -0.387 20 0 EBADRP C[C@@H](CCNC(=O)C(=O)NCC1([NH3+])CCOCC1)[NH+]1CCCCC1 ZINC000627387718 379575912 /nfs/dbraw/zinc/57/59/12/379575912.db2.gz XWIYQXJGPBKFCC-AWEZNQCLSA-N 2 0 340.468 -0.009 20 0 EBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C[NH2+]1 ZINC000627483781 379631526 /nfs/dbraw/zinc/63/15/26/379631526.db2.gz LBCGHIRMEBZORP-HUUCEWRRSA-N 2 0 339.484 -0.661 20 0 EBADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NCCOCCC[NH3+] ZINC000627488703 379636278 /nfs/dbraw/zinc/63/62/78/379636278.db2.gz GRBDHMGRHJNXQT-ZIAGYGMSSA-N 2 0 328.457 -0.153 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000627488897 379639712 /nfs/dbraw/zinc/63/97/12/379639712.db2.gz LNGUTCLCBZMLER-CQSZACIVSA-N 2 0 326.441 -0.588 20 0 EBADRP CN(C(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627507374 379648926 /nfs/dbraw/zinc/64/89/26/379648926.db2.gz PQHGPQMOULNYGO-UKRRQHHQSA-N 2 0 337.468 -0.909 20 0 EBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627454988 379606063 /nfs/dbraw/zinc/60/60/63/379606063.db2.gz GUAZECXTWMARCO-ZDUSSCGKSA-N 2 0 326.441 -0.589 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCOCC[NH2+]C)C[C@@H]1C ZINC000627462359 379610095 /nfs/dbraw/zinc/61/00/95/379610095.db2.gz RKJQPJSFOATDQB-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000627461675 379610376 /nfs/dbraw/zinc/61/03/76/379610376.db2.gz WROVFXSEBBIDEB-OAHLLOKOSA-N 2 0 340.468 -0.185 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000627462646 379612082 /nfs/dbraw/zinc/61/20/82/379612082.db2.gz ZJLLIBJILPZWGH-AWEZNQCLSA-N 2 0 326.441 -0.575 20 0 EBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627475992 379624026 /nfs/dbraw/zinc/62/40/26/379624026.db2.gz XYMQRYBFKPAYSK-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000274442386 379689905 /nfs/dbraw/zinc/68/99/05/379689905.db2.gz LPIVLBQXBZSVJY-UHFFFAOYSA-N 2 0 346.391 -0.364 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CCCO1 ZINC000642190884 379733752 /nfs/dbraw/zinc/73/37/52/379733752.db2.gz AKANHFKKDKJSLP-HUUCEWRRSA-N 2 0 340.468 -0.138 20 0 EBADRP CC[NH+]1CCC(CCNC(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000642180629 379734577 /nfs/dbraw/zinc/73/45/77/379734577.db2.gz TZKJMQSAVOUPHB-HIFRSBDPSA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH2+]CCOCCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000627091795 379803237 /nfs/dbraw/zinc/80/32/37/379803237.db2.gz XTAWDPYXZRZJFV-NSHDSACASA-N 2 0 341.378 -0.642 20 0 EBADRP O=C(NC[C@H]1C[NH2+]CCO1)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000627103800 379804424 /nfs/dbraw/zinc/80/44/24/379804424.db2.gz NJOHTAVCVRBYBO-CVEARBPZSA-N 2 0 349.435 -0.430 20 0 EBADRP COC[C@@H](CNC(=O)/C=C/C[NH+](C)C)NC(=O)/C=C/C[NH+](C)C ZINC000276056200 379806063 /nfs/dbraw/zinc/80/60/63/379806063.db2.gz UVGHUNLWGQHHJV-YDBVJNLESA-N 2 0 326.441 -0.531 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N[C@@H](CC[NH3+])C(F)F)CC1 ZINC000631943355 379757893 /nfs/dbraw/zinc/75/78/93/379757893.db2.gz UJUHOTWDCVAZMW-NSHDSACASA-N 2 0 328.429 -0.474 20 0 EBADRP CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000631825634 379761699 /nfs/dbraw/zinc/76/16/99/379761699.db2.gz ORZYDBASZDPOOJ-ZDUSSCGKSA-N 2 0 346.497 -0.413 20 0 EBADRP CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631953614 379763413 /nfs/dbraw/zinc/76/34/13/379763413.db2.gz OHLIFMMNABEZRQ-OAHLLOKOSA-N 2 0 332.514 -0.117 20 0 EBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H]3COCC[NH2+]3)C2)CC1 ZINC000626978733 379771525 /nfs/dbraw/zinc/77/15/25/379771525.db2.gz JWBCRAVHRVVIRN-UONOGXRCSA-N 2 0 325.457 -0.558 20 0 EBADRP C[NH2+]CCOCCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000627002279 379775232 /nfs/dbraw/zinc/77/52/32/379775232.db2.gz PGYZAMSIOANHNB-GJZGRUSLSA-N 2 0 328.457 -0.101 20 0 EBADRP CN(CCOCC[NH3+])C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000627002846 379775245 /nfs/dbraw/zinc/77/52/45/379775245.db2.gz WZYSQYUBDQEUKP-GJZGRUSLSA-N 2 0 328.457 -0.019 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000631929265 379784229 /nfs/dbraw/zinc/78/42/29/379784229.db2.gz ARBMGNADOQAGQT-HNNXBMFYSA-N 2 0 330.498 -0.361 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000631938891 379788016 /nfs/dbraw/zinc/78/80/16/379788016.db2.gz OQWWNBJBXOSNHK-HUUCEWRRSA-N 2 0 330.498 -0.363 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000627192154 379829748 /nfs/dbraw/zinc/82/97/48/379829748.db2.gz OMAQFFLWEKXVLC-HUUCEWRRSA-N 2 0 326.441 -0.225 20 0 EBADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCCCN1CC[NH2+]CC1 ZINC000637799312 379843207 /nfs/dbraw/zinc/84/32/07/379843207.db2.gz XWAVUGOCBVUQTM-QGZVFWFLSA-N 2 0 333.480 -0.143 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000637820839 379868887 /nfs/dbraw/zinc/86/88/87/379868887.db2.gz JLWYWPIXIYHALP-CQSZACIVSA-N 2 0 340.468 -0.342 20 0 EBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC000642329776 379812115 /nfs/dbraw/zinc/81/21/15/379812115.db2.gz OKYDEQKRJVOIDA-LXTVHRRPSA-N 2 0 340.468 -0.202 20 0 EBADRP C[C@@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@H]1[NH+](C)C ZINC000632092377 379813571 /nfs/dbraw/zinc/81/35/71/379813571.db2.gz BSVGKIHITHBFOD-HUUCEWRRSA-N 2 0 332.514 -0.164 20 0 EBADRP C[NH+](C)C[C@H]1CCCN1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632107110 379817028 /nfs/dbraw/zinc/81/70/28/379817028.db2.gz WQSPUXQUFSDJHJ-OAHLLOKOSA-N 2 0 332.514 -0.020 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627184561 379824625 /nfs/dbraw/zinc/82/46/25/379824625.db2.gz KUZZUECTTDUZRO-OAHLLOKOSA-N 3 0 329.489 -0.110 20 0 EBADRP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)NC[C@H]1COCC[NH2+]1 ZINC000627189774 379828220 /nfs/dbraw/zinc/82/82/20/379828220.db2.gz ZMXHLJKGUXURPI-DLBZAZTESA-N 2 0 348.447 -0.307 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000633088249 379932058 /nfs/dbraw/zinc/93/20/58/379932058.db2.gz FMRUPJJZBYEBTK-HUUCEWRRSA-N 2 0 342.484 -0.144 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000633102151 379938022 /nfs/dbraw/zinc/93/80/22/379938022.db2.gz RBAXBKGKIAGMSY-FXUDXRNXSA-N 2 0 349.479 -0.957 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000633143504 379948776 /nfs/dbraw/zinc/94/87/76/379948776.db2.gz MJNYSEGXYXHMRM-OLZOCXBDSA-N 2 0 326.441 -0.760 20 0 EBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000633143412 379949253 /nfs/dbraw/zinc/94/92/53/379949253.db2.gz LVRKMTRPCKDRHL-UONOGXRCSA-N 2 0 340.468 -0.106 20 0 EBADRP O=C(CNC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000634249810 379990899 /nfs/dbraw/zinc/99/08/99/379990899.db2.gz NQWZPAJKGNYGOB-CABCVRRESA-N 2 0 337.468 -0.161 20 0 EBADRP O=C(NC[C@@H]1CCCC[NH2+]1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000634271647 379992006 /nfs/dbraw/zinc/99/20/06/379992006.db2.gz VIDJTLOVGAJVNH-CABCVRRESA-N 2 0 337.468 -0.018 20 0 EBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000354730735 380089518 /nfs/dbraw/zinc/08/95/18/380089518.db2.gz APSVNNCRZPZLQB-GJZGRUSLSA-N 2 0 339.484 -0.613 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000354673893 380077756 /nfs/dbraw/zinc/07/77/56/380077756.db2.gz LEQRVLXHYJPQLL-RBSFLKMASA-N 2 0 340.468 -0.140 20 0 EBADRP CC[C@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC[N@@H+]1CCOC ZINC000354674818 380078208 /nfs/dbraw/zinc/07/82/08/380078208.db2.gz LYFHDFTZDMJIJN-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])cc1 ZINC000638107687 380144308 /nfs/dbraw/zinc/14/43/08/380144308.db2.gz IQNPWROVIFURKR-LSDHHAIUSA-N 2 0 334.420 -0.290 20 0 EBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000354757681 380094003 /nfs/dbraw/zinc/09/40/03/380094003.db2.gz SLCRJEBOJAOHKX-HUUCEWRRSA-N 2 0 338.452 -0.575 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638098973 380131688 /nfs/dbraw/zinc/13/16/88/380131688.db2.gz QVLFXSINPYUIMF-YOEHRIQHSA-N 2 0 340.468 -0.234 20 0 EBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000638142158 380205353 /nfs/dbraw/zinc/20/53/53/380205353.db2.gz YQSJGZUOCHZRQH-CABCVRRESA-N 2 0 348.451 -0.389 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)cn1 ZINC000630719909 380226629 /nfs/dbraw/zinc/22/66/29/380226629.db2.gz DGDBYZWYTYXULV-UHFFFAOYSA-N 2 0 336.440 -0.709 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000340221486 380284796 /nfs/dbraw/zinc/28/47/96/380284796.db2.gz XCWMWMYPBHPWSM-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000564827215 380381153 /nfs/dbraw/zinc/38/11/53/380381153.db2.gz GCYUDWLRYCELLX-AWEZNQCLSA-N 2 0 325.457 -0.968 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000340265467 380386092 /nfs/dbraw/zinc/38/60/92/380386092.db2.gz XIUCLSSCKJBNKJ-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000564943667 380386880 /nfs/dbraw/zinc/38/68/80/380386880.db2.gz HEEGMFXGKSWKLQ-LBPRGKRZSA-N 2 0 345.411 -0.412 20 0 EBADRP COC[C@]1(CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)CCC[NH2+]1 ZINC000565883353 380437812 /nfs/dbraw/zinc/43/78/12/380437812.db2.gz SPJWTCHFKVFJPE-MRXNPFEDSA-N 2 0 328.457 -0.147 20 0 EBADRP C[NH+](C)C1(CNC(=O)NCC(=O)N2CC[NH2+]CC2)CCCCC1 ZINC000565881718 380438234 /nfs/dbraw/zinc/43/82/34/380438234.db2.gz OKQKQIUMDRSWMJ-UHFFFAOYSA-N 2 0 325.457 -0.018 20 0 EBADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000565240575 380409042 /nfs/dbraw/zinc/40/90/42/380409042.db2.gz YQHNLYHWUWOAPR-QEJZJMRPSA-N 2 0 341.415 -0.192 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCNC(=O)c2cccs2)CC1 ZINC000567042381 380498567 /nfs/dbraw/zinc/49/85/67/380498567.db2.gz AXQKQHAOBPNYGM-CYBMUJFWSA-N 2 0 326.466 -0.324 20 0 EBADRP Cc1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000567111070 380501527 /nfs/dbraw/zinc/50/15/27/380501527.db2.gz GPZBXDKMYSDTSX-IAGOWNOFSA-N 2 0 337.464 -0.067 20 0 EBADRP C[C@H](CC[NH+]1CCN(C)C[C@H]1CO)CC[N@@H+]1CCN(C)C[C@@H]1CO ZINC000639865917 380514619 /nfs/dbraw/zinc/51/46/19/380514619.db2.gz BDMIPVMVIXTBQC-BCDXTJNWSA-N 2 0 342.528 -0.381 20 0 EBADRP C[N@H+](CCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)C1CC1 ZINC000363221447 380463148 /nfs/dbraw/zinc/46/31/48/380463148.db2.gz QWDYYHZVSHAXGX-HNNXBMFYSA-N 2 0 339.484 -0.214 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000340554849 380540189 /nfs/dbraw/zinc/54/01/89/380540189.db2.gz YDCDRTNHQYNDGI-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP CN1CCN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)[C@H](C[NH3+])C1 ZINC000569093267 380629942 /nfs/dbraw/zinc/62/99/42/380629942.db2.gz PSRWJQAXPIQGMH-HUUCEWRRSA-N 2 0 337.468 -0.968 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000340794455 380632293 /nfs/dbraw/zinc/63/22/93/380632293.db2.gz HEUIIISNHDLWBA-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP COC[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC[NH2+]C1 ZINC000569233565 380635180 /nfs/dbraw/zinc/63/51/80/380635180.db2.gz JGTQKROZFNKHBV-CZUORRHYSA-N 2 0 326.441 -0.684 20 0 EBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC3[C@@H]4CCC[C@H]3CC([NH3+])C4)CCN2C1=O ZINC000568287555 380593240 /nfs/dbraw/zinc/59/32/40/380593240.db2.gz CNNRVVFXFVCCOH-KXCXXGIZSA-N 2 0 335.452 -0.154 20 0 EBADRP COC(=O)[C@@H]1CN(CCCCN2CCO[C@H](C(=O)OC)C2)CCO1 ZINC000535005938 380597744 /nfs/dbraw/zinc/59/77/44/380597744.db2.gz XHCPAEFWFIDCML-KBPBESRZSA-N 2 0 344.408 -0.486 20 0 EBADRP CC(C)(CNC(=O)NCC(=O)N1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000568608276 380608163 /nfs/dbraw/zinc/60/81/63/380608163.db2.gz ANJBGJBRVCDABN-UHFFFAOYSA-N 2 0 325.457 -0.018 20 0 EBADRP CS(=O)(=O)CC1(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000573207387 380664269 /nfs/dbraw/zinc/66/42/69/380664269.db2.gz RZLBQCVGDQYPNK-AWEZNQCLSA-N 2 0 343.493 -0.045 20 0 EBADRP C[NH+](C)[C@H]1CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C[C@@H]1O ZINC000573337798 380669369 /nfs/dbraw/zinc/66/93/69/380669369.db2.gz ZOXADFVYSZLJIU-HOTGVXAUSA-N 2 0 347.463 -0.273 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000341112957 380669227 /nfs/dbraw/zinc/66/92/27/380669227.db2.gz ANYJMVGHVAGOLD-JKSUJKDBSA-N 2 0 341.500 -0.016 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000573810438 380688512 /nfs/dbraw/zinc/68/85/12/380688512.db2.gz IVCFXLIZQFXPGQ-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000574154228 380702440 /nfs/dbraw/zinc/70/24/40/380702440.db2.gz DGBPLIGTSPIRFJ-KBPBESRZSA-N 2 0 326.441 -0.495 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000574261658 380705478 /nfs/dbraw/zinc/70/54/78/380705478.db2.gz NBUJUJCOVMQTRT-CABCVRRESA-N 2 0 340.468 -0.343 20 0 EBADRP C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418201908 380655023 /nfs/dbraw/zinc/65/50/23/380655023.db2.gz IGWXHFSUYPEKGW-UONOGXRCSA-N 2 0 325.457 -0.210 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](CCOC)C1 ZINC000342046409 380753491 /nfs/dbraw/zinc/75/34/91/380753491.db2.gz VPDQURNCYZXXJS-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](CO)C1 ZINC000576325356 380767177 /nfs/dbraw/zinc/76/71/77/380767177.db2.gz JKIZRQANWYUGCH-CQSZACIVSA-N 2 0 328.457 -0.831 20 0 EBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000627425394 380734591 /nfs/dbraw/zinc/73/45/91/380734591.db2.gz OINKZZIPEKTIDB-ZSAUSMIDSA-N 2 0 340.468 -0.143 20 0 EBADRP CN1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)[C@@H](C[NH3+])C1 ZINC000578005256 380869834 /nfs/dbraw/zinc/86/98/34/380869834.db2.gz XEIIRLSKRIXFJI-GJZGRUSLSA-N 2 0 337.468 -0.826 20 0 EBADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000578052184 380888557 /nfs/dbraw/zinc/88/85/57/380888557.db2.gz RNTDRLBTOZNXFV-KBPBESRZSA-N 2 0 325.457 -0.020 20 0 EBADRP CC[N@H+](CCNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C1CC1 ZINC000417482922 380915854 /nfs/dbraw/zinc/91/58/54/380915854.db2.gz IZNAAKOOFRKULK-ZDUSSCGKSA-N 2 0 325.457 -0.033 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000578988485 380962528 /nfs/dbraw/zinc/96/25/28/380962528.db2.gz NCZGRANJQBTTBK-IHRRRGAJSA-N 2 0 340.468 -0.060 20 0 EBADRP CC(C)NS(=O)(=O)NCC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639105100 380966956 /nfs/dbraw/zinc/96/69/56/380966956.db2.gz RIBFPDSFIRLQAK-UHFFFAOYSA-N 2 0 336.502 -0.356 20 0 EBADRP [NH3+]CCCn1cc(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)nn1 ZINC000579110633 380971257 /nfs/dbraw/zinc/97/12/57/380971257.db2.gz UISIVBPJBAOPFC-NSHDSACASA-N 2 0 349.361 -0.807 20 0 EBADRP Cn1cc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(=O)n(C)c1=O ZINC000377628080 380983001 /nfs/dbraw/zinc/98/30/01/380983001.db2.gz NXNZEPWPQXLHQO-INIZCTEOSA-N 2 0 349.479 -0.316 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(O)cc1 ZINC000578728052 380947761 /nfs/dbraw/zinc/94/77/61/380947761.db2.gz XXANGBDASSGYCO-UHFFFAOYSA-N 2 0 336.436 -0.040 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000579497426 380993587 /nfs/dbraw/zinc/99/35/87/380993587.db2.gz DTBZHFSBVKANAG-HZSPNIEDSA-N 2 0 339.440 -0.949 20 0 EBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)COC2CCC([NH3+])CC2)C1 ZINC000579590427 380998943 /nfs/dbraw/zinc/99/89/43/380998943.db2.gz HFPARKMLCDGZQX-HSBZDZAISA-N 2 0 326.441 -0.414 20 0 EBADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000581249728 381062799 /nfs/dbraw/zinc/06/27/99/381062799.db2.gz ORCXHLZSGMBHNC-HNNXBMFYSA-N 2 0 333.436 -0.160 20 0 EBADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)CCn1ncn(C)c1=O ZINC000617508244 381039824 /nfs/dbraw/zinc/03/98/24/381039824.db2.gz ZIPUNHPUYRRFTP-ZDUSSCGKSA-N 2 0 326.445 -0.640 20 0 EBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000580884184 381040954 /nfs/dbraw/zinc/04/09/54/381040954.db2.gz FHRUTXMWALCTCF-RBSFLKMASA-N 2 0 338.452 -0.434 20 0 EBADRP Cn1c2ncn(CC[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)c2c(=O)n(C)c1=O ZINC000346588621 381088487 /nfs/dbraw/zinc/08/84/87/381088487.db2.gz AGIGXOBHUAQJDC-FUNVUKJBSA-N 2 0 346.435 -0.352 20 0 EBADRP C[C@@H]1C[C@H](C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC[NH2+]1 ZINC000581931150 381118793 /nfs/dbraw/zinc/11/87/93/381118793.db2.gz DGTXMRROWYRFIS-ZIAGYGMSSA-N 2 0 336.436 -0.332 20 0 EBADRP C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418388741 381121310 /nfs/dbraw/zinc/12/13/10/381121310.db2.gz NOURJVBDPWUFIZ-GHMZBOCLSA-N 2 0 325.379 -0.023 20 0 EBADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000182957612 381075770 /nfs/dbraw/zinc/07/57/70/381075770.db2.gz KVOBTZRMSQWABN-OAHLLOKOSA-N 2 0 339.484 -0.720 20 0 EBADRP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000582002051 381147412 /nfs/dbraw/zinc/14/74/12/381147412.db2.gz CFMWDWDMGFKZNZ-ZDUSSCGKSA-N 2 0 349.439 -0.204 20 0 EBADRP CC(C)[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000584396663 381125861 /nfs/dbraw/zinc/12/58/61/381125861.db2.gz JVUVVYNYTNERNJ-OAHLLOKOSA-N 2 0 342.484 -0.178 20 0 EBADRP O=C(COC1CC[NH2+]CC1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000584721226 381204058 /nfs/dbraw/zinc/20/40/58/381204058.db2.gz LBSKUXLJMZVJEQ-GFCCVEGCSA-N 2 0 338.374 -0.293 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418405916 381214195 /nfs/dbraw/zinc/21/41/95/381214195.db2.gz LJFGZZLGMSGMHT-UONOGXRCSA-N 2 0 325.457 -0.177 20 0 EBADRP COC[C@]1(CNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CCC[NH2+]1 ZINC000418633697 381251824 /nfs/dbraw/zinc/25/18/24/381251824.db2.gz IMZJRTNGBLFWJD-GOEBONIOSA-N 2 0 328.457 -0.099 20 0 EBADRP COC[C@@]1(CNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CCC[NH2+]1 ZINC000418640992 381253825 /nfs/dbraw/zinc/25/38/25/381253825.db2.gz RMCWAFQVGCUTAS-HOCLYGCPSA-N 2 0 328.457 -0.099 20 0 EBADRP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418668090 381254161 /nfs/dbraw/zinc/25/41/61/381254161.db2.gz HHSZOMJWIBFEJH-NCOADZHNSA-N 2 0 330.432 -0.077 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H](CC[NH3+])C(F)F)CC1 ZINC000418727468 381258188 /nfs/dbraw/zinc/25/81/88/381258188.db2.gz FGEZZWHVFFQCDU-NWDGAFQWSA-N 2 0 347.410 -0.083 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418762401 381262908 /nfs/dbraw/zinc/26/29/08/381262908.db2.gz MCJRRLFOQBZTIA-HNNXBMFYSA-N 2 0 329.489 -0.110 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CCCC1 ZINC000418833856 381289511 /nfs/dbraw/zinc/28/95/11/381289511.db2.gz NXLKXKZEUIBFGA-ZDUSSCGKSA-N 2 0 326.441 -0.528 20 0 EBADRP CC(C)(CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[NH+]1CCCCC1 ZINC000418834478 381289723 /nfs/dbraw/zinc/28/97/23/381289723.db2.gz LYKMARAGYBQJSF-CYBMUJFWSA-N 2 0 326.441 -0.528 20 0 EBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)c1cccs1 ZINC000418836611 381294985 /nfs/dbraw/zinc/29/49/85/381294985.db2.gz RQIDERACKYESCS-NSHDSACASA-N 2 0 328.438 -0.753 20 0 EBADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[NH+](C)C)c1 ZINC000418839097 381298184 /nfs/dbraw/zinc/29/81/84/381298184.db2.gz CZXIKWIGFBLUFZ-UKRRQHHQSA-N 2 0 334.420 -0.026 20 0 EBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418793208 381275028 /nfs/dbraw/zinc/27/50/28/381275028.db2.gz PUPUTRPJYRDSNN-OAHLLOKOSA-N 2 0 329.489 -0.110 20 0 EBADRP O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000643478912 381328507 /nfs/dbraw/zinc/32/85/07/381328507.db2.gz OQOBALMYQDQQOF-HOCLYGCPSA-N 2 0 343.431 -0.059 20 0 EBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000643478968 381328979 /nfs/dbraw/zinc/32/89/79/381328979.db2.gz WDSHQJSWAZEITM-UKRRQHHQSA-N 2 0 347.419 -0.695 20 0 EBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000418883965 381333080 /nfs/dbraw/zinc/33/30/80/381333080.db2.gz WCYDTIMLKGJIGE-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)([NH+](C)C)C1 ZINC000418926771 381342396 /nfs/dbraw/zinc/34/23/96/381342396.db2.gz UICRMPFIBSJJLR-JKIFEVAISA-N 2 0 340.468 -0.201 20 0 EBADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)[C@@H]1c1ccccc1 ZINC000418918263 381339818 /nfs/dbraw/zinc/33/98/18/381339818.db2.gz ZIIQQQLCLVFGFL-PMPSAXMXSA-N 2 0 346.431 -0.266 20 0 EBADRP C[C@H](CCNC(=O)C(=O)N(C)CCOCC[NH3+])[NH+]1CCCCC1 ZINC000627387275 381314826 /nfs/dbraw/zinc/31/48/26/381314826.db2.gz MABLAMGJIKWGIE-CQSZACIVSA-N 2 0 328.457 -0.199 20 0 EBADRP O=C(NCCCCC[NH+]1CCCCC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418930879 381345127 /nfs/dbraw/zinc/34/51/27/381345127.db2.gz CNILUUODEXNXKV-HNNXBMFYSA-N 2 0 340.468 -0.137 20 0 EBADRP 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PHBVVUOGUIZANL-LSDHHAIUSA-N 3 0 339.484 -0.851 20 0 EBADRP Cc1c(C(=O)NCCN(C)CCC[NH+](C)C)nnn1-c1cnn(C)c1 ZINC000617761852 381965496 /nfs/dbraw/zinc/96/54/96/381965496.db2.gz AHZGVTQFPFAACH-UHFFFAOYSA-N 2 0 348.455 -0.077 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC[NH2+]1 ZINC000643513541 381996081 /nfs/dbraw/zinc/99/60/81/381996081.db2.gz LKTVHJSXAIOKIQ-CABCVRRESA-N 2 0 337.468 -0.955 20 0 EBADRP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430538093 382019983 /nfs/dbraw/zinc/01/99/83/382019983.db2.gz AYHNVAIRENPSPQ-KBPBESRZSA-N 2 0 340.468 -0.071 20 0 EBADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000430560150 382021775 /nfs/dbraw/zinc/02/17/75/382021775.db2.gz VJMANVUOSFHKMC-RYUDHWBXSA-N 2 0 334.424 -0.507 20 0 EBADRP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430574901 382021920 /nfs/dbraw/zinc/02/19/20/382021920.db2.gz TXYGHKUPIXNCBD-ZDUSSCGKSA-N 2 0 340.468 -0.058 20 0 EBADRP CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCC(OCCC[NH3+])CC2)C1 ZINC000430581636 382022326 /nfs/dbraw/zinc/02/23/26/382022326.db2.gz UVGXAGWZPJNQLT-HNNXBMFYSA-N 2 0 340.468 -0.057 20 0 EBADRP C[NH+]1CCN(c2cc(C(=O)NCC[N@@H+]3CC[C@@H](O)C3)ccn2)CC1 ZINC000629175569 382083085 /nfs/dbraw/zinc/08/30/85/382083085.db2.gz BQGUCHHRKXRRGX-OAHLLOKOSA-N 2 0 333.436 -0.370 20 0 EBADRP CC(C)(C(N)=O)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 ZINC000353279872 382134671 /nfs/dbraw/zinc/13/46/71/382134671.db2.gz YOQUSHZXZZYVAV-UHFFFAOYSA-N 2 0 334.424 -0.301 20 0 EBADRP C[C@@H](C[NH+](C)C)NC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000353323796 382138875 /nfs/dbraw/zinc/13/88/75/382138875.db2.gz DSQFKEQAHHCUEL-HNNXBMFYSA-N 2 0 329.489 -0.374 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000353776312 382172367 /nfs/dbraw/zinc/17/23/67/382172367.db2.gz IGFBBRGFQVFQBI-AWEZNQCLSA-N 2 0 328.457 -0.567 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)C(C)(C)C(N)=O)C1 ZINC000451140574 382221600 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OLSNQRSBUJMOKW-CJNGLKHVSA-N 2 0 328.457 -0.297 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CC[C@H]2CC[NH2+]C2)cn1 ZINC000261885905 154203434 /nfs/dbraw/zinc/20/34/34/154203434.db2.gz SKCDOBGEMRJETN-ZDUSSCGKSA-N 2 0 336.440 -0.111 20 0 EBADRP CN(C)c1nccc(N2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)n1 ZINC000262061893 154210700 /nfs/dbraw/zinc/21/07/00/154210700.db2.gz JFCIIXVPQQPCJO-UHFFFAOYSA-N 2 0 347.467 -0.514 20 0 EBADRP C[C@H](CNC(=O)C[C@]1(C(=O)NC[C@H](C)[NH+](C)C)CC[NH2+]C1)[NH+](C)C ZINC000262047474 154210780 /nfs/dbraw/zinc/21/07/80/154210780.db2.gz URHGMIQRIJWZCK-JKIFEVAISA-N 3 0 341.500 -0.511 20 0 EBADRP O=C(CC[N@@H+]1CCC[C@@H]1C(=O)N1CCSCC1)N1CC[NH2+]CC1 ZINC000262275512 154221075 /nfs/dbraw/zinc/22/10/75/154221075.db2.gz YUJKXLPKDIDBCV-CQSZACIVSA-N 2 0 340.493 -0.152 20 0 EBADRP C[NH+]1CCN(c2ccc(CNC(=O)C[C@@H]3COCC[NH2+]3)cn2)CC1 ZINC000262386219 154228210 /nfs/dbraw/zinc/22/82/10/154228210.db2.gz NQFPERPADVROOW-OAHLLOKOSA-N 2 0 333.436 -0.172 20 0 EBADRP 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XAWJBWZUSZPPAH-UHFFFAOYSA-N 2 0 348.451 0.299 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC000653116866 418990189 /nfs/dbraw/zinc/99/01/89/418990189.db2.gz XCSBBFCKIQWLQD-AWEZNQCLSA-N 2 0 327.473 -0.722 20 0 EBADRP O=C(N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000655297507 418993984 /nfs/dbraw/zinc/99/39/84/418993984.db2.gz JRKMZJNVASJCFY-SCTDSRPQSA-N 2 0 345.443 -0.099 20 0 EBADRP C[C@@H](NC(=O)N1CC(N2CC[C@@H](O)C2)C1)[C@H](C)N1CCOCC1 ZINC000650850355 419082698 /nfs/dbraw/zinc/08/26/98/419082698.db2.gz NHEHSRZJVUCQQY-VNHYZAJKSA-N 2 0 326.441 -0.444 20 0 EBADRP C[NH+](C)CCN1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1=O ZINC000650895874 419083868 /nfs/dbraw/zinc/08/38/68/419083868.db2.gz ISVHKMWHDARKJW-OAHLLOKOSA-N 2 0 337.468 -0.114 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000650895588 419084749 /nfs/dbraw/zinc/08/47/49/419084749.db2.gz APRITTOBMKYCDJ-CQSZACIVSA-N 2 0 341.456 -0.878 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000647597091 419121972 /nfs/dbraw/zinc/12/19/72/419121972.db2.gz LLJCRJXPBSXSDP-ZNMIVQPWSA-N 2 0 339.484 -0.533 20 0 EBADRP CCO[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@H]1C[NH3+] ZINC000653247360 419051097 /nfs/dbraw/zinc/05/10/97/419051097.db2.gz YJULXDPRXHIHNQ-BFHYXJOUSA-N 2 0 326.441 -0.781 20 0 EBADRP C[C@@H](NC(=O)C(=O)NCCC1CC[NH2+]CC1)[C@@H](C)N1CCOCC1 ZINC000652690733 419062350 /nfs/dbraw/zinc/06/23/50/419062350.db2.gz NBWPGFJZKUEHCF-ZIAGYGMSSA-N 2 0 340.468 -0.282 20 0 EBADRP C[N@H+](C[C@H](O)CN[C@H]1CC[NH+](CCN2CCOCC2)C1)C1CC1 ZINC000644569756 419169457 /nfs/dbraw/zinc/16/94/57/419169457.db2.gz UNWUUZPFORBIBD-DOTOQJQBSA-N 2 0 326.485 -0.562 20 0 EBADRP CN1CCN(C)[C@H](C[NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000644559454 419169720 /nfs/dbraw/zinc/16/97/20/419169720.db2.gz PCCOBAJAFYFCFJ-KGLIPLIRSA-N 2 0 346.431 -0.521 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000651221778 419181440 /nfs/dbraw/zinc/18/14/40/419181440.db2.gz BLNBSXIMOAIMFN-ZIAGYGMSSA-N 2 0 346.497 -0.447 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C(C)C)CC2)C[C@H]1C[NH3+] ZINC000652666555 419246487 /nfs/dbraw/zinc/24/64/87/419246487.db2.gz LIEATEFBGJUWKV-UKRRQHHQSA-N 2 0 340.468 -0.202 20 0 EBADRP C[C@@H](O)[C@@H]1CCN(c2cc(N3CC([N@@H+]4CC[C@@H](O)C4)C3)ncn2)C1 ZINC000651449149 419198572 /nfs/dbraw/zinc/19/85/72/419198572.db2.gz CXOOEYCIDMJDQC-UMVBOHGHSA-N 2 0 333.436 -0.061 20 0 EBADRP CC(C)[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C(N)=O ZINC000364152049 419199589 /nfs/dbraw/zinc/19/95/89/419199589.db2.gz XBUQACUFRQOMNL-JSGCOSHPSA-N 2 0 325.457 -0.036 20 0 EBADRP CS(=O)(=O)N1CCN(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647786130 419294869 /nfs/dbraw/zinc/29/48/69/419294869.db2.gz IUDXMABPEJATTR-QLFBSQMISA-N 2 0 330.498 -0.459 20 0 EBADRP COCC[N@H+](C)CCNC(=O)N1CC[NH+](C)C[C@H](C(=O)OC)C1 ZINC000413238533 419307242 /nfs/dbraw/zinc/30/72/42/419307242.db2.gz IDUYOWUTJZJTHK-ZDUSSCGKSA-N 2 0 330.429 -0.689 20 0 EBADRP C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)CCN1CC[NH2+]CC1 ZINC000647835208 419308981 /nfs/dbraw/zinc/30/89/81/419308981.db2.gz RIKCMMQGSJVQQY-UHFFFAOYSA-N 2 0 333.436 -0.049 20 0 EBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000279113591 419328256 /nfs/dbraw/zinc/32/82/56/419328256.db2.gz YUFTUYLEVWWNSK-RISCZKNCSA-N 2 0 334.424 -0.444 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[N@H+](C)CC)C2)C[C@H]1C[NH3+] ZINC000652730216 419329019 /nfs/dbraw/zinc/32/90/19/419329019.db2.gz MZSAACXOXAYDRO-RBSFLKMASA-N 2 0 340.468 -0.391 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)C[C@H]1C[NH3+] ZINC000652731765 419333991 /nfs/dbraw/zinc/33/39/91/419333991.db2.gz UFMNVJZNZRBJFU-RBSFLKMASA-N 2 0 340.468 -0.250 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH3+] ZINC000652733172 419341404 /nfs/dbraw/zinc/34/14/04/419341404.db2.gz AOETZUQAFOKPTB-HZSPNIEDSA-N 2 0 326.441 -0.639 20 0 EBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000519695242 419537975 /nfs/dbraw/zinc/53/79/75/419537975.db2.gz HNNMVJNGWKQSJD-CQSZACIVSA-N 2 0 325.457 -0.018 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])C1 ZINC000520583087 419564636 /nfs/dbraw/zinc/56/46/36/419564636.db2.gz IYQDZCKNLBWMHF-BFHYXJOUSA-N 2 0 328.457 -0.299 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)NC[C@@](C)(O)C[NH+](C)C)CC1 ZINC000532792789 419629305 /nfs/dbraw/zinc/62/93/05/419629305.db2.gz IFEZPYYVKUFHGV-MRXNPFEDSA-N 2 0 329.489 -0.374 20 0 EBADRP COC[C@](C)(CNC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)[C@@H]1CCC[NH+]1C ZINC000358307485 419674904 /nfs/dbraw/zinc/67/49/04/419674904.db2.gz GHDYHHVCLKZBBS-ZQIUZPCESA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCOCC[NH+](C)C)CC[N@@H+]1C ZINC000360278432 419688109 /nfs/dbraw/zinc/68/81/09/419688109.db2.gz JRPNRNUODXFXTM-ZIAGYGMSSA-N 2 0 328.457 -0.378 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659681107 419693808 /nfs/dbraw/zinc/69/38/08/419693808.db2.gz WJVOJTWMTOWBOQ-UHFFFAOYSA-N 2 0 326.441 -0.399 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659717439 419786136 /nfs/dbraw/zinc/78/61/36/419786136.db2.gz HVZIXRDUFOZQHG-ZIAGYGMSSA-N 2 0 326.441 -0.545 20 0 EBADRP CCC[NH2+]CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659711779 419772496 /nfs/dbraw/zinc/77/24/96/419772496.db2.gz DLFDEDYCDRDEGB-CQSZACIVSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419901882 419816763 /nfs/dbraw/zinc/81/67/63/419816763.db2.gz BCXZSMSCNDCSHA-IHRRRGAJSA-N 2 0 326.441 -0.530 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000420049001 419834357 /nfs/dbraw/zinc/83/43/57/419834357.db2.gz XXLKQDYTWWKVGG-STQMWFEESA-N 2 0 344.456 -0.748 20 0 EBADRP [NH3+]C[C@@H](NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)C1CC1 ZINC000420045865 419834609 /nfs/dbraw/zinc/83/46/09/419834609.db2.gz VDTYUQGMNZGYBG-OAHLLOKOSA-N 2 0 338.452 -0.589 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C(C)C)C1 ZINC000422288992 419878214 /nfs/dbraw/zinc/87/82/14/419878214.db2.gz XOVQJRGRWVFMOC-AWEZNQCLSA-N 2 0 328.457 -0.378 20 0 EBADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423125866 419921089 /nfs/dbraw/zinc/92/10/89/419921089.db2.gz IFWVNCVMGKDBHF-HNNXBMFYSA-N 2 0 342.484 -0.001 20 0 EBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000423216624 419925066 /nfs/dbraw/zinc/92/50/66/419925066.db2.gz RZBRQJFFQDGPTO-KKUMJFAQSA-N 2 0 340.468 -0.249 20 0 EBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423212464 419926611 /nfs/dbraw/zinc/92/66/11/419926611.db2.gz LYXPVTTXXBWKLE-OAHLLOKOSA-N 2 0 337.468 -0.953 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423261973 419927159 /nfs/dbraw/zinc/92/71/59/419927159.db2.gz LFUUYSWJXIURST-AWEZNQCLSA-N 2 0 328.457 -0.390 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000167405538 420527760 /nfs/dbraw/zinc/52/77/60/420527760.db2.gz ZGYMCFVWWBDACN-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP CO[C@@H](C[NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000646546586 420669957 /nfs/dbraw/zinc/66/99/57/420669957.db2.gz GRMFRQROMCGFJG-IHRRRGAJSA-N 2 0 327.404 -0.235 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC(O)(C[NH3+])CC2)C1 ZINC000517238899 420698592 /nfs/dbraw/zinc/69/85/92/420698592.db2.gz JAPMCJWFWBAPQF-OAHLLOKOSA-N 2 0 342.484 -0.755 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000516965678 420696860 /nfs/dbraw/zinc/69/68/60/420696860.db2.gz HUVUIESNFIHWAX-BZUAXINKSA-N 2 0 326.485 -0.169 20 0 EBADRP CCN1CCN(C(=O)[C@H](C)[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)CC1 ZINC000528752602 420754763 /nfs/dbraw/zinc/75/47/63/420754763.db2.gz ZBUYFXRDOTUAIH-BHYGNILZSA-N 2 0 327.469 -0.148 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529375539 420764677 /nfs/dbraw/zinc/76/46/77/420764677.db2.gz ICQBCLQNQBITCE-CYBMUJFWSA-N 2 0 335.408 -0.090 20 0 EBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529379763 420765401 /nfs/dbraw/zinc/76/54/01/420765401.db2.gz SWPRFRRCIGNFHH-ZIAGYGMSSA-N 2 0 326.441 -0.131 20 0 EBADRP CN1CCO[C@H](C(=O)NC[C@]2(CO)COCC3(CCC3)N2C)C1 ZINC000529751325 420771690 /nfs/dbraw/zinc/77/16/90/420771690.db2.gz JKJJVLHXWQCDIC-BBRMVZONSA-N 2 0 327.425 -0.951 20 0 EBADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1C[NH2+]CCC1(F)F ZINC000649335471 420802182 /nfs/dbraw/zinc/80/21/82/420802182.db2.gz DZWHIXPFOZGQRY-ZIAGYGMSSA-N 2 0 346.422 -0.246 20 0 EBADRP COCC[NH+]1CCC(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654405512 420826990 /nfs/dbraw/zinc/82/69/90/420826990.db2.gz QLZYMOLIRALUOX-LSDHHAIUSA-N 2 0 326.441 -0.442 20 0 EBADRP C[C@@H](CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C[NH+]1CCN(C)CC1 ZINC000654460561 420830247 /nfs/dbraw/zinc/83/02/47/420830247.db2.gz FCJXSUJGLUARIE-HRCADAONSA-N 2 0 339.484 -0.670 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656020250 420866842 /nfs/dbraw/zinc/86/68/42/420866842.db2.gz PFJLQTOGJFCLSP-IGQOVBAYSA-N 2 0 326.441 -0.532 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656024680 420867364 /nfs/dbraw/zinc/86/73/64/420867364.db2.gz SEFCTPAZSXVJSQ-MQLXINIDSA-N 2 0 328.457 -0.158 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CCC(C)([NH3+])CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656041321 420868076 /nfs/dbraw/zinc/86/80/76/420868076.db2.gz QCWMDFJYPISKTM-MELADBBJSA-N 2 0 340.468 -0.060 20 0 EBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656040649 420869312 /nfs/dbraw/zinc/86/93/12/420869312.db2.gz NOQXWWHDSJLKLE-APIJFGDWSA-N 2 0 340.468 -0.189 20 0 EBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000656104641 420880638 /nfs/dbraw/zinc/88/06/38/420880638.db2.gz STHDTCGEEDKTDX-ZDUSSCGKSA-N 2 0 326.441 -0.495 20 0 EBADRP C[C@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656153667 420882376 /nfs/dbraw/zinc/88/23/76/420882376.db2.gz ZNKBHGLVVQNBSL-NCOADZHNSA-N 2 0 328.501 -0.318 20 0 EBADRP COCCN1CCN(C(=O)C(=O)N2CCC[C@@H](n3ccnc3)C2)CC1 ZINC000659262226 420994515 /nfs/dbraw/zinc/99/45/15/420994515.db2.gz NMFAODDCKBZKHR-OAHLLOKOSA-N 2 0 349.435 -0.163 20 0 EBADRP CC[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000659318766 420996844 /nfs/dbraw/zinc/99/68/44/420996844.db2.gz YAUZRHOPTXKHOB-CQSZACIVSA-N 2 0 328.457 -0.424 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)NCCN2CC[NH2+]CC2)CCO1 ZINC000659508821 421002063 /nfs/dbraw/zinc/00/20/63/421002063.db2.gz YZSFOZOHHYOKMR-OAHLLOKOSA-N 2 0 327.473 -0.356 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659680859 421013444 /nfs/dbraw/zinc/01/34/44/421013444.db2.gz SEHGGEJIJXXVEW-BFHYXJOUSA-N 2 0 344.431 -0.643 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659700432 421016830 /nfs/dbraw/zinc/01/68/30/421016830.db2.gz KJUQSNYOYFAAOV-UHFFFAOYSA-N 2 0 340.468 -0.009 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659700291 421017272 /nfs/dbraw/zinc/01/72/72/421017272.db2.gz GODAZZWMJQDFBB-ZIAGYGMSSA-N 2 0 328.457 -0.297 20 0 EBADRP CCC[NH2+]CCNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000659711966 421018017 /nfs/dbraw/zinc/01/80/17/421018017.db2.gz HBLRJUMETMEVTB-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCC2CC[NH2+]CC2)CCO1 ZINC000659708842 421018200 /nfs/dbraw/zinc/01/82/00/421018200.db2.gz AEEICQMKNIQNRE-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CCC2)CCO1 ZINC000659721548 421021810 /nfs/dbraw/zinc/02/18/10/421021810.db2.gz AETXWNZCKYIJFB-ZDUSSCGKSA-N 2 0 326.441 -0.447 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CCO1 ZINC000659723827 421022586 /nfs/dbraw/zinc/02/25/86/421022586.db2.gz KZINUNYHDFNXGH-RBSFLKMASA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCC2([NH3+])CCCC2)C[C@H](C)O1 ZINC000659732370 421023866 /nfs/dbraw/zinc/02/38/66/421023866.db2.gz MQGRGBRESYETKN-KBPBESRZSA-N 2 0 340.468 -0.010 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[C@H](C)[NH2+]1 ZINC000659738716 421024208 /nfs/dbraw/zinc/02/42/08/421024208.db2.gz ITXSDWOAHVBEJN-GUTXKFCHSA-N 2 0 338.452 -0.435 20 0 EBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)C1 ZINC000659738458 421025030 /nfs/dbraw/zinc/02/50/30/421025030.db2.gz DVHPSNWDQBAUFS-MGPQQGTHSA-N 2 0 326.441 -0.591 20 0 EBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC34CC(C3)C[NH2+]4)CC2)C1 ZINC000659741206 421025809 /nfs/dbraw/zinc/02/58/09/421025809.db2.gz HXHSFZHUHPOFRN-CSLYMUCUSA-N 2 0 349.479 -0.907 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[C@@H](C)[NH2+]1 ZINC000659738830 421025882 /nfs/dbraw/zinc/02/58/82/421025882.db2.gz ITXSDWOAHVBEJN-UMVBOHGHSA-N 2 0 338.452 -0.435 20 0 EBADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C[C@H](C)O1 ZINC000659744594 421027434 /nfs/dbraw/zinc/02/74/34/421027434.db2.gz XXLRWNKNDVUKEJ-YRFCHQJDSA-N 2 0 338.452 -0.530 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000659753798 421029481 /nfs/dbraw/zinc/02/94/81/421029481.db2.gz NNAADJRPXIZTNN-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659755751 421029875 /nfs/dbraw/zinc/02/98/75/421029875.db2.gz LRNBZKGHWFJNLP-IYBDPMFKSA-N 2 0 334.464 -0.098 20 0 EBADRP CN(CCC[NH+](C)C)CCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000662632451 421094089 /nfs/dbraw/zinc/09/40/89/421094089.db2.gz QAMQCTLPUPDPEJ-AWEZNQCLSA-N 2 0 337.472 -0.357 20 0 EBADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000662907177 421107216 /nfs/dbraw/zinc/10/72/16/421107216.db2.gz NQRCHEVJSORYJR-KGLIPLIRSA-N 2 0 333.440 -0.678 20 0 EBADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000662907047 421107290 /nfs/dbraw/zinc/10/72/90/421107290.db2.gz NEGWNHCIAAEBNR-HOTGVXAUSA-N 2 0 332.452 -0.073 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)[C@H](C)C[NH2+]1 ZINC000662952088 421116128 /nfs/dbraw/zinc/11/61/28/421116128.db2.gz XESHSHMVWJCUCA-RBSFLKMASA-N 2 0 340.468 -0.236 20 0 EBADRP CN(C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)C1CC[NH2+]CC1 ZINC000662954759 421117082 /nfs/dbraw/zinc/11/70/82/421117082.db2.gz ZDOFUQDVYQIEDT-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)[C@H](CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[NH+]1CCN(C)CC1 ZINC000663560940 421133481 /nfs/dbraw/zinc/13/34/81/421133481.db2.gz OFOGRRGPLYCYGJ-JYJNAYRXSA-N 2 0 341.500 -0.425 20 0 EBADRP CN1CC[NH+](CCOCC[N@@H+]2CCC(=O)N(C)CC2)CCC1=O ZINC000661806269 421074985 /nfs/dbraw/zinc/07/49/85/421074985.db2.gz GPGKOUBSYHPFKW-UHFFFAOYSA-N 2 0 326.441 -0.669 20 0 EBADRP COCC[N@H+](C)CCNC(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000663937564 421143817 /nfs/dbraw/zinc/14/38/17/421143817.db2.gz KGXJXWRMSYDKQE-OAHLLOKOSA-N 2 0 328.457 -0.195 20 0 EBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCN(C)CCC[NH+](C)C ZINC000664026602 421146930 /nfs/dbraw/zinc/14/69/30/421146930.db2.gz WWBRJOCATOLPSH-MRXNPFEDSA-N 3 0 342.532 -0.195 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664079993 421147632 /nfs/dbraw/zinc/14/76/32/421147632.db2.gz LCARCNOWMWICTN-HZPDHXFCSA-N 2 0 341.500 -0.016 20 0 EBADRP C[C@H](NC(=O)NCCN(C)CCC[NH+](C)C)[C@@H]1CN(C)CCO1 ZINC000664487397 421158025 /nfs/dbraw/zinc/15/80/25/421158025.db2.gz JIHOVSPVAVGZHY-GJZGRUSLSA-N 3 0 329.489 -0.112 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000446780215 421191996 /nfs/dbraw/zinc/19/19/96/421191996.db2.gz HUUSZIMIYOTPNL-GFCCVEGCSA-N 2 0 334.424 -0.264 20 0 EBADRP C[N@@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC000645622974 421206689 /nfs/dbraw/zinc/20/66/89/421206689.db2.gz NYHQHCPSYLOVLW-GXTWGEPZSA-N 2 0 340.387 0.368 20 0 EBADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419026303 264845595 /nfs/dbraw/zinc/84/55/95/264845595.db2.gz NJDUEPZBPICSSW-GJZGRUSLSA-N 2 0 339.484 -0.756 20 0 EBADRP CC1(C)CN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC[NH2+]1 ZINC000419481798 264870740 /nfs/dbraw/zinc/87/07/40/264870740.db2.gz PFQSPLGXRKEBPY-UHFFFAOYSA-N 2 0 326.441 -0.575 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)C1 ZINC000419727472 264885372 /nfs/dbraw/zinc/88/53/72/264885372.db2.gz LLQWXXDHEDAMJX-KGLIPLIRSA-N 2 0 328.457 -0.345 20 0 EBADRP CCC[NH2+]CCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000419907276 264902779 /nfs/dbraw/zinc/90/27/79/264902779.db2.gz FJQUQDGZDDBKDJ-OAHLLOKOSA-N 2 0 340.468 -0.327 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000420023263 264914759 /nfs/dbraw/zinc/91/47/59/264914759.db2.gz XMDZTAACBCKJEK-ZDUSSCGKSA-N 2 0 349.435 -0.162 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423266053 264992737 /nfs/dbraw/zinc/99/27/37/264992737.db2.gz RRCDHVORSFFFEE-UONOGXRCSA-N 2 0 326.441 -0.909 20 0 EBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000423398141 265002449 /nfs/dbraw/zinc/00/24/49/265002449.db2.gz TZXKZSGUKZBBRE-KFWWJZLASA-N 2 0 340.468 -0.106 20 0 EBADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423418499 265003368 /nfs/dbraw/zinc/00/33/68/265003368.db2.gz UQVGPMPXQUGBNC-AWEZNQCLSA-N 2 0 328.457 -0.247 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000423431781 265005215 /nfs/dbraw/zinc/00/52/15/265005215.db2.gz AXIPMNRKJGLLEK-LSDHHAIUSA-N 2 0 340.468 -0.105 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000423447045 265005309 /nfs/dbraw/zinc/00/53/09/265005309.db2.gz OQPCNYWWVYSQIC-ZIAGYGMSSA-N 2 0 326.441 -0.495 20 0 EBADRP CCN1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)C[C@H]1c1ncc[nH]1 ZINC000423573385 265015067 /nfs/dbraw/zinc/01/50/67/265015067.db2.gz WGPWYVXPCSJDHD-MJBXVCDLSA-N 2 0 348.451 -0.176 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000423665320 265030107 /nfs/dbraw/zinc/03/01/07/265030107.db2.gz HEYXSGOHTULZCS-RBSFLKMASA-N 2 0 340.468 -0.106 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC2)c1 ZINC000423724006 265037847 /nfs/dbraw/zinc/03/78/47/265037847.db2.gz QXCYCBOVXPZDOV-LBPRGKRZSA-N 2 0 335.408 -0.456 20 0 EBADRP C[NH+](C)C1CCN(CCNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424143465 265050922 /nfs/dbraw/zinc/05/09/22/265050922.db2.gz JUXNJLULMPTIBG-OAHLLOKOSA-N 2 0 349.483 -0.042 20 0 EBADRP CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000430614063 265150256 /nfs/dbraw/zinc/15/02/56/265150256.db2.gz XQYAJSYKAMNQTI-GFCCVEGCSA-N 2 0 339.440 -0.506 20 0 EBADRP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430627262 265150359 /nfs/dbraw/zinc/15/03/59/265150359.db2.gz MZBIGNUBYJAPCD-CHWSQXEVSA-N 2 0 341.456 -0.356 20 0 EBADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000430630442 265150534 /nfs/dbraw/zinc/15/05/34/265150534.db2.gz SDUKIKRCNAEMRO-AWEZNQCLSA-N 3 0 339.484 -0.626 20 0 EBADRP C[C@@H](C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)CS(C)(=O)=O ZINC000430639478 265152130 /nfs/dbraw/zinc/15/21/30/265152130.db2.gz FXAIEGDRPMOSPX-KBPBESRZSA-N 2 0 331.482 -0.189 20 0 EBADRP C[NH2+]C[C@@H]1CC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000430950511 265156469 /nfs/dbraw/zinc/15/64/69/265156469.db2.gz IBPDAQZXSAMTCI-LBPRGKRZSA-N 2 0 334.424 -0.635 20 0 EBADRP COCC[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC[NH2+]C1 ZINC000430888685 265157000 /nfs/dbraw/zinc/15/70/00/265157000.db2.gz IQBNAIYEBPDEMP-YOEHRIQHSA-N 2 0 340.468 -0.294 20 0 EBADRP CN(CCCNC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1)S(C)(=O)=O ZINC000431032321 265158235 /nfs/dbraw/zinc/15/82/35/265158235.db2.gz JDCWLEAMRIJUTR-UHFFFAOYSA-N 2 0 346.497 -0.540 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@]2(O)CC[NH+](C)C2)CCCO1 ZINC000433459343 265189169 /nfs/dbraw/zinc/18/91/69/265189169.db2.gz XNMKPZOUVGXZAT-GDBMZVCRSA-N 2 0 328.457 -0.147 20 0 EBADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCC[C@@H](CC[NH3+])C1)c(=O)n2C ZINC000443057552 265337296 /nfs/dbraw/zinc/33/72/96/265337296.db2.gz GYEQKSVNJZXWDZ-ZDUSSCGKSA-N 2 0 348.451 -0.115 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](CO)[C@H]2CCCO2)C1 ZINC000447916482 265383893 /nfs/dbraw/zinc/38/38/93/265383893.db2.gz VLLNKFQBBYXLFO-OWCLPIDISA-N 2 0 343.468 -0.411 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCOC(C)(C)C1 ZINC000520989905 265652127 /nfs/dbraw/zinc/65/21/27/265652127.db2.gz AAHDDMSIVOMOLE-UHFFFAOYSA-N 2 0 328.457 -0.424 20 0 EBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000332699727 288300341 /nfs/dbraw/zinc/30/03/41/288300341.db2.gz XUBHLAAHVGXLKF-RBSFLKMASA-N 2 0 338.452 -0.530 20 0 EBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000333712888 288321483 /nfs/dbraw/zinc/32/14/83/288321483.db2.gz SOWJXNTWFRBOFS-ILXRZTDVSA-N 2 0 337.468 -0.068 20 0 EBADRP C[C@@]1(C(N)=O)CC[N@H+](CCOCC[NH+]2CC[C@](C)(C(N)=O)C2)C1 ZINC000361566388 289156616 /nfs/dbraw/zinc/15/66/16/289156616.db2.gz RWFWLGPZLWKTDO-IYBDPMFKSA-N 2 0 326.441 -0.602 20 0 EBADRP CS[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@H]1[NH+](C)C ZINC000357911763 295646180 /nfs/dbraw/zinc/64/61/80/295646180.db2.gz LCILZBBTKNWAMH-MGPQQGTHSA-N 2 0 342.509 -0.100 20 0 EBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000331783257 300320073 /nfs/dbraw/zinc/32/00/73/300320073.db2.gz IGFQTSSTSPNBGC-GJZGRUSLSA-N 2 0 338.452 -0.623 20 0 EBADRP CCN(C(=O)C(=O)NC[C@H]1CCC[NH+]1CCOC)[C@@H]1CC[N@H+](C)C1 ZINC000668788471 545759501 /nfs/dbraw/zinc/75/95/01/545759501.db2.gz ZVMXNTDHYYSVJL-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]1[NH2+]CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)[C@H]1C ZINC000669486509 545879274 /nfs/dbraw/zinc/87/92/74/545879274.db2.gz SHFBMXHUIWULJL-HRCADAONSA-N 2 0 339.484 -0.215 20 0 EBADRP C[C@@H]1CN(C[C@H](O)CN2CCO[C@@H]3CC[N@H+](C)C[C@H]32)C[C@@H](C)O1 ZINC000344996452 545938175 /nfs/dbraw/zinc/93/81/75/545938175.db2.gz GIQKOIFWNNKMGJ-NQNKBUKLSA-N 2 0 327.469 -0.139 20 0 EBADRP C[C@H](NC(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC000672009162 546077717 /nfs/dbraw/zinc/07/77/17/546077717.db2.gz YXZIRVYJBDXDBP-DZGCQCFKSA-N 2 0 340.468 -0.378 20 0 EBADRP C[C@H](NC(=O)C(=O)NCCOCC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000672011678 546077763 /nfs/dbraw/zinc/07/77/63/546077763.db2.gz VESZNWRJUPWMET-ZDUSSCGKSA-N 2 0 328.457 -0.473 20 0 EBADRP C[C@@H](NC(=O)C(=O)NCCOCC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000672011677 546077824 /nfs/dbraw/zinc/07/78/24/546077824.db2.gz VESZNWRJUPWMET-CYBMUJFWSA-N 2 0 328.457 -0.473 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000672310357 546091042 /nfs/dbraw/zinc/09/10/42/546091042.db2.gz QJZYUXCWFQNINS-HUUCEWRRSA-N 2 0 338.452 -0.576 20 0 EBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000672597063 546113111 /nfs/dbraw/zinc/11/31/11/546113111.db2.gz HWOYCYZMPZCLID-GJZGRUSLSA-N 2 0 339.484 -0.663 20 0 EBADRP COC1CC[NH+](CCNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000674325516 546159964 /nfs/dbraw/zinc/15/99/64/546159964.db2.gz UYSBPHCPLYDNNZ-AWEZNQCLSA-N 2 0 340.468 -0.377 20 0 EBADRP CC[N@@H+]1CC[C@H]([NH2+]CCN2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000675816444 546189633 /nfs/dbraw/zinc/18/96/33/546189633.db2.gz CLLLBSFYMCNCSG-CABCVRRESA-N 2 0 332.514 -0.117 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cn1 ZINC000679371245 546270166 /nfs/dbraw/zinc/27/01/66/546270166.db2.gz SZUSRBZOAYDKPH-HIFRSBDPSA-N 2 0 348.451 -0.064 20 0 EBADRP C[NH+](C)C[C@](C)(O)CNc1nccnc1NC[C@@](C)(O)C[NH+](C)C ZINC000167274294 546412230 /nfs/dbraw/zinc/41/22/30/546412230.db2.gz XAASYNYIJZOOJR-HZPDHXFCSA-N 2 0 340.472 -0.074 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891540599 582557712 /nfs/dbraw/zinc/55/77/12/582557712.db2.gz UQSVWLNPJOSISP-CABCVRRESA-N 2 0 339.484 -0.310 20 0 EBADRP [NH3+]C[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000891565691 582558575 /nfs/dbraw/zinc/55/85/75/582558575.db2.gz RMWLMRNGBUXNJJ-HZPDHXFCSA-N 2 0 339.484 -0.084 20 0 EBADRP O=C(N[C@H]1CC[NH2+]C1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892006945 582565521 /nfs/dbraw/zinc/56/55/21/582565521.db2.gz NMUAXCNGFDNEHQ-GJZGRUSLSA-N 2 0 325.457 -0.556 20 0 EBADRP CC(C)[C@@H]([NH3+])CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892017920 582565948 /nfs/dbraw/zinc/56/59/48/582565948.db2.gz HESCULVCIZSOBA-XQHKEYJVSA-N 2 0 325.413 -0.454 20 0 EBADRP [NH3+][C@H](CNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)C1CC1 ZINC000892051229 582566610 /nfs/dbraw/zinc/56/66/10/582566610.db2.gz PRIAVXDMPTYCSP-JKSUJKDBSA-N 2 0 339.484 -0.181 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC[NH2+]1 ZINC000892098170 582567215 /nfs/dbraw/zinc/56/72/15/582567215.db2.gz YAROTOSJBCJCPI-KSTCHIGDSA-N 2 0 337.424 -0.297 20 0 EBADRP [NH3+]C1(CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCCC1 ZINC000892248143 582571994 /nfs/dbraw/zinc/57/19/94/582571994.db2.gz BQKXMEMECVJKBE-UPJWGTAASA-N 2 0 337.424 -0.166 20 0 EBADRP O=C(N[C@H]1CC[NH2+]C12CCC2)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892275136 582572728 /nfs/dbraw/zinc/57/27/28/582572728.db2.gz SLTQFPLQMDHGIA-MQYQWHSLSA-N 2 0 349.435 -0.153 20 0 EBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892768149 582587344 /nfs/dbraw/zinc/58/73/44/582587344.db2.gz HVEINMQWLAZGQB-UKRRQHHQSA-N 2 0 328.457 -0.243 20 0 EBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892768141 582587366 /nfs/dbraw/zinc/58/73/66/582587366.db2.gz HVEINMQWLAZGQB-DZGCQCFKSA-N 2 0 328.457 -0.243 20 0 EBADRP CN(C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@@H]1CCOC1 ZINC000867443545 582616916 /nfs/dbraw/zinc/61/69/16/582616916.db2.gz JJQRNKVWVWPERM-RBSFLKMASA-N 2 0 340.468 -0.569 20 0 EBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C3C[NH+]([C@H]4CCOC4)C3)CC2)C1 ZINC000896390508 582663057 /nfs/dbraw/zinc/66/30/57/582663057.db2.gz SGIMGPHVYJXXPH-SJORKVTESA-N 2 0 336.480 -0.055 20 0 EBADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000898088821 582719705 /nfs/dbraw/zinc/71/97/05/582719705.db2.gz UCVYUQKMOQCKSZ-ZDUSSCGKSA-N 2 0 338.452 -0.324 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000898720861 582739505 /nfs/dbraw/zinc/73/95/05/582739505.db2.gz IGMNTVDTIHNXJE-CQSZACIVSA-N 2 0 326.441 -0.815 20 0 EBADRP CCOC(=O)CN1CCCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900487298 582770384 /nfs/dbraw/zinc/77/03/84/582770384.db2.gz IWXFUNXNJYSZPM-KRWDZBQOSA-N 2 0 341.452 -0.069 20 0 EBADRP CC1(C)CN(C(=O)C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]1[NH3+] ZINC000903714030 582814933 /nfs/dbraw/zinc/81/49/33/582814933.db2.gz KINAUXZMTZCSSO-ZDUSSCGKSA-N 2 0 331.420 -0.074 20 0 EBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903741554 582816745 /nfs/dbraw/zinc/81/67/45/582816745.db2.gz GOPTWKFFWUVZDZ-CQSZACIVSA-N 2 0 339.484 -0.722 20 0 EBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903758052 582819684 /nfs/dbraw/zinc/81/96/84/582819684.db2.gz FPAXYQVMLOOJSZ-GHMZBOCLSA-N 2 0 336.358 -0.113 20 0 EBADRP O=S1(=O)CCCN1CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903785071 582820583 /nfs/dbraw/zinc/82/05/83/582820583.db2.gz VTSAPDAMOCVBQT-IYBDPMFKSA-N 2 0 342.509 -0.078 20 0 EBADRP O=C(CN1CCOCC1)N1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903878988 582822906 /nfs/dbraw/zinc/82/29/06/582822906.db2.gz OYHGPWYXOYYPET-ALOPSCKCSA-N 2 0 336.480 -0.007 20 0 EBADRP Cc1c(C[C@H](C[NH3+])C[N@H+](CCO)CCN2CCOCC2)cnn1C ZINC000903886597 582823001 /nfs/dbraw/zinc/82/30/01/582823001.db2.gz RBVOBVFIJWMYPH-MRXNPFEDSA-N 2 0 339.484 -0.528 20 0 EBADRP Cc1c(C[C@@H](C[NH3+])C[NH2+]C[C@H]2CCCN2S(C)(=O)=O)cnn1C ZINC000903923154 582823627 /nfs/dbraw/zinc/82/36/27/582823627.db2.gz MWISIZANKXZCGP-DZGCQCFKSA-N 2 0 343.497 -0.140 20 0 EBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C2 ZINC000903977295 582823922 /nfs/dbraw/zinc/82/39/22/582823922.db2.gz OBXMJIRIXDDDFW-CFAJVAMVSA-N 3 0 348.451 -0.085 20 0 EBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H]3COCCO3)C2)CC1 ZINC000734274967 582870461 /nfs/dbraw/zinc/87/04/61/582870461.db2.gz UYYPTTGETTUFJW-UKRRQHHQSA-N 2 0 326.441 -0.131 20 0 EBADRP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000838303449 583053444 /nfs/dbraw/zinc/05/34/44/583053444.db2.gz VIMQEFMPJGMWIN-ARFHVFGLSA-N 2 0 340.468 -0.004 20 0 EBADRP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000838301442 583053700 /nfs/dbraw/zinc/05/37/00/583053700.db2.gz DLHWXGXZDBYNKT-ARFHVFGLSA-N 2 0 340.468 -0.004 20 0 EBADRP C[NH+]1CCC2(CC1)NC(=O)N(CN1CC[C@H]([NH+]3CC=CC3)C1)C2=O ZINC000742163649 583076486 /nfs/dbraw/zinc/07/64/86/583076486.db2.gz UUQDSGAEZZZLIE-AWEZNQCLSA-N 2 0 333.436 -0.094 20 0 EBADRP C[NH+](C)CCNC(=O)C1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000750533165 583136740 /nfs/dbraw/zinc/13/67/40/583136740.db2.gz XZLJTCLZXMEXRF-INIZCTEOSA-N 2 0 326.485 -0.167 20 0 EBADRP O=S1(=O)CCCN1[C@H]1CCCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000789372755 583536853 /nfs/dbraw/zinc/53/68/53/583536853.db2.gz ABWRWYZOKZMKIQ-LSDHHAIUSA-N 2 0 331.482 -0.057 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804061238 583641252 /nfs/dbraw/zinc/64/12/52/583641252.db2.gz SXHRPDFUZIRINZ-RBSFLKMASA-N 2 0 338.452 -0.434 20 0 EBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000817813532 583729818 /nfs/dbraw/zinc/72/98/18/583729818.db2.gz HYYXFBVJDPYKCP-KKUMJFAQSA-N 2 0 338.452 -0.482 20 0 EBADRP CN1CC[NH+](C2CCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC2)CC1 ZINC000827445115 583921251 /nfs/dbraw/zinc/92/12/51/583921251.db2.gz IBVNHMWPJJQOKD-QGZVFWFLSA-N 2 0 335.496 -0.385 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000843260834 584074524 /nfs/dbraw/zinc/07/45/24/584074524.db2.gz GRAJUMZMOCHUIU-KCQAQPDRSA-N 2 0 340.468 -0.012 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000843260832 584074526 /nfs/dbraw/zinc/07/45/26/584074526.db2.gz GRAJUMZMOCHUIU-GUTXKFCHSA-N 2 0 340.468 -0.012 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)C(C)C ZINC000851692187 584200410 /nfs/dbraw/zinc/20/04/10/584200410.db2.gz SHTNJHZUYBKSKP-UHFFFAOYSA-N 2 0 338.412 -0.896 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000861736739 584336068 /nfs/dbraw/zinc/33/60/68/584336068.db2.gz IZYZAEKSYHODCJ-LBPRGKRZSA-N 2 0 337.424 -0.556 20 0 EBADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000861741651 584336507 /nfs/dbraw/zinc/33/65/07/584336507.db2.gz UNLPKEUKNXTXNN-CYBMUJFWSA-N 2 0 328.457 -0.202 20 0 EBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000861772585 584338433 /nfs/dbraw/zinc/33/84/33/584338433.db2.gz WEVBYAQWVCJPDX-GFCCVEGCSA-N 2 0 328.457 -0.202 20 0 EBADRP C[C@@H]1CN(CC[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CCO1 ZINC000863548159 584372833 /nfs/dbraw/zinc/37/28/33/584372833.db2.gz OLRQSFDFCZBPTB-BMFZPTHFSA-N 2 0 338.452 -0.036 20 0 EBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000863757019 584376934 /nfs/dbraw/zinc/37/69/34/584376934.db2.gz RHJMMHANDMVPAE-ZIAGYGMSSA-N 2 0 325.457 -0.970 20 0 EBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000863762340 584377400 /nfs/dbraw/zinc/37/74/00/584377400.db2.gz PJAOHLVJRAZSME-OLZOCXBDSA-N 2 0 326.441 -0.496 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)CC[C@@H]21 ZINC000868396998 584428155 /nfs/dbraw/zinc/42/81/55/584428155.db2.gz OVVNKDJAXUQUNX-NONVJHHQSA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872309182 584461769 /nfs/dbraw/zinc/46/17/69/584461769.db2.gz SIYRNTVTAJMZHT-SYQHCUMBSA-N 2 0 338.408 -0.852 20 0 EBADRP Cn1ncc2c1nnn(CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c2=O ZINC000872636015 584464300 /nfs/dbraw/zinc/46/43/00/584464300.db2.gz FNWLRIHFDTYLBR-CHWSQXEVSA-N 2 0 348.455 -0.846 20 0 EBADRP CC(=O)C1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000872855304 584468248 /nfs/dbraw/zinc/46/82/48/584468248.db2.gz KJXGSQCNEHZVIO-UHFFFAOYSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2CCCNC2=O)C[C@H]1C[NH+](C)C ZINC000875664130 584504325 /nfs/dbraw/zinc/50/43/25/584504325.db2.gz FNOJUPPYDPMQCY-RBSFLKMASA-N 2 0 339.484 -0.107 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC[C@]2(O)CCOC2)C[C@H]1C[NH+](C)C ZINC000875695605 584504492 /nfs/dbraw/zinc/50/44/92/584504492.db2.gz RWIFCWMDWNDBJT-INMHGKMJSA-N 2 0 342.484 -0.091 20 0 EBADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000876511354 584517494 /nfs/dbraw/zinc/51/74/94/584517494.db2.gz GCKFWTHWHVYZMZ-ZDUSSCGKSA-N 2 0 334.424 -0.722 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876748566 584522035 /nfs/dbraw/zinc/52/20/35/584522035.db2.gz GJQQUBKWKFRFCL-SRVKXCTJSA-N 2 0 332.395 -0.115 20 0 EBADRP COC[C@]1(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C[NH2+]CCO1 ZINC000876775949 584523585 /nfs/dbraw/zinc/52/35/85/584523585.db2.gz HSYQSPZFXUUCCJ-ZBFHGGJFSA-N 2 0 327.425 -0.828 20 0 EBADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876841073 584524691 /nfs/dbraw/zinc/52/46/91/584524691.db2.gz JQKDVISFCWZTRA-VWYCJHECSA-N 2 0 326.338 -0.114 20 0 EBADRP COC[C@@]1(C(=O)N2C[C@@H](c3ccc(OC)cc3)[C@H]([NH3+])C2)C[NH2+]CCO1 ZINC000877239046 584530226 /nfs/dbraw/zinc/53/02/26/584530226.db2.gz JMXFPYKIWVSEDA-LZLYRXPVSA-N 2 0 349.431 -0.047 20 0 EBADRP CC[C@@H]1COCCN1CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000877434815 584532710 /nfs/dbraw/zinc/53/27/10/584532710.db2.gz VAQFTVIQAAIEDW-KGLIPLIRSA-N 2 0 326.441 -0.528 20 0 EBADRP COCC[N@@H+](Cc1cc(=O)n(C)c(=O)n1C)CC1CC[NH+](C)CC1 ZINC000879123714 584548439 /nfs/dbraw/zinc/54/84/39/584548439.db2.gz KXYWBAWPZRQTMF-UHFFFAOYSA-N 2 0 338.452 -0.126 20 0 EBADRP COCC[N@@H+](CC(=O)N1CCNC(=O)C1)CC1CC[NH+](C)CC1 ZINC000879122562 584548511 /nfs/dbraw/zinc/54/85/11/584548511.db2.gz NQUOTBQWTLSSDZ-UHFFFAOYSA-N 2 0 326.441 -0.765 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCN1c1cc[nH+]cc1 ZINC000883639514 584603963 /nfs/dbraw/zinc/60/39/63/584603963.db2.gz RDCHBHSLGSRFFU-SOUVJXGZSA-N 2 0 343.431 -0.204 20 0 EBADRP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000884290057 584620950 /nfs/dbraw/zinc/62/09/50/584620950.db2.gz QNSWAPSPHRDIOH-INIZCTEOSA-N 2 0 344.463 -0.389 20 0 EBADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884485503 584624662 /nfs/dbraw/zinc/62/46/62/584624662.db2.gz AILVMYRIMWITEC-GJZGRUSLSA-N 2 0 346.431 -0.184 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000884516504 584625228 /nfs/dbraw/zinc/62/52/28/584625228.db2.gz MDXGKQZNSYVVIJ-OAHLLOKOSA-N 2 0 339.484 -0.532 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000884517389 584625642 /nfs/dbraw/zinc/62/56/42/584625642.db2.gz MDXGKQZNSYVVIJ-HNNXBMFYSA-N 2 0 339.484 -0.532 20 0 EBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884555507 584626870 /nfs/dbraw/zinc/62/68/70/584626870.db2.gz SMZGEFVUFLMWMR-WZRBSPASSA-N 2 0 344.406 -0.054 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000884562594 584627749 /nfs/dbraw/zinc/62/77/49/584627749.db2.gz FDONEHAEWSMLIB-MRXNPFEDSA-N 2 0 348.447 -0.489 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000884597666 584629098 /nfs/dbraw/zinc/62/90/98/584629098.db2.gz GMEADNSERUFUSY-HUUCEWRRSA-N 2 0 339.484 -0.532 20 0 EBADRP CCN(C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC)[C@@H]1CC[NH2+]C1 ZINC000884603226 584629201 /nfs/dbraw/zinc/62/92/01/584629201.db2.gz FHZIXDALEFNNNU-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884603951 584629343 /nfs/dbraw/zinc/62/93/43/584629343.db2.gz WCUNPPVCTSXOAD-ILXRZTDVSA-N 2 0 338.452 -0.434 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000884603648 584629371 /nfs/dbraw/zinc/62/93/71/584629371.db2.gz OGZJXOVOSUQEFM-GJZGRUSLSA-N 2 0 340.468 -0.057 20 0 EBADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884632278 584630581 /nfs/dbraw/zinc/63/05/81/584630581.db2.gz CLLHFWSNZRCMBU-HOCLYGCPSA-N 2 0 343.431 -0.013 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)Cc1ccc(F)cc1 ZINC000884660765 584632277 /nfs/dbraw/zinc/63/22/77/584632277.db2.gz CHXVUNIPSVWUHM-GJZGRUSLSA-N 2 0 334.395 -0.054 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000884669829 584632622 /nfs/dbraw/zinc/63/26/22/584632622.db2.gz HZKITZVNULXTBD-AWEZNQCLSA-N 2 0 341.500 -0.380 20 0 EBADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000884678537 584633730 /nfs/dbraw/zinc/63/37/30/584633730.db2.gz FFXZAGNSBMDPAM-DOMZBBRYSA-N 2 0 331.420 -0.028 20 0 EBADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000884688221 584634458 /nfs/dbraw/zinc/63/44/58/584634458.db2.gz WDZOYWKGIUGGMI-ZIAGYGMSSA-N 2 0 331.420 -0.013 20 0 EBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000884701817 584635034 /nfs/dbraw/zinc/63/50/34/584635034.db2.gz PLINXQSLYJRAQN-KFWWJZLASA-N 3 0 341.500 -0.716 20 0 EBADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884787571 584637719 /nfs/dbraw/zinc/63/77/19/584637719.db2.gz VXJZGQHVEUFFKR-ZNMIVQPWSA-N 2 0 336.436 -0.681 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CCN1c1cc[nH+]cc1 ZINC000884815512 584638516 /nfs/dbraw/zinc/63/85/16/584638516.db2.gz REAFJAGJXXGIGH-UONOGXRCSA-N 2 0 347.419 -0.777 20 0 EBADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000884815246 584638624 /nfs/dbraw/zinc/63/86/24/584638624.db2.gz NVFFLAHTXPDQHU-AWEZNQCLSA-N 2 0 338.452 -0.432 20 0 EBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)CCO1 ZINC000884986222 584642202 /nfs/dbraw/zinc/64/22/02/584642202.db2.gz LDECAZANTNBBKS-ZBUZPQQSSA-N 2 0 340.468 -0.060 20 0 EBADRP CC(C)([NH3+])CCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000885196657 584645421 /nfs/dbraw/zinc/64/54/21/584645421.db2.gz HMNXSPYMZXHMPP-CQSZACIVSA-N 2 0 340.468 -0.199 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCCC(C)(C)[NH3+])C[C@@H](C)O1 ZINC000885200018 584645456 /nfs/dbraw/zinc/64/54/56/584645456.db2.gz ZMYCGVNAGCTFSF-CHWSQXEVSA-N 2 0 328.457 -0.155 20 0 EBADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCCC(C)(C)[NH3+])C[C@H](C)O1 ZINC000885200019 584645588 /nfs/dbraw/zinc/64/55/88/584645588.db2.gz ZMYCGVNAGCTFSF-STQMWFEESA-N 2 0 328.457 -0.155 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCC3(F)F)CC[C@@H]21 ZINC000885296561 584647811 /nfs/dbraw/zinc/64/78/11/584647811.db2.gz ZGCSHVUOWHSFRA-AGIUHOORSA-N 2 0 344.406 -0.100 20 0 EBADRP O=C(N[C@H]1COC[C@H]1NC(=O)C12CC[NH+](CC1)C2)C12CC[NH+](CC1)C2 ZINC000888042397 584684749 /nfs/dbraw/zinc/68/47/49/584684749.db2.gz UUGJKNFXVLSZJR-OKILXGFUSA-N 2 0 348.447 -0.822 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@H]1COC[C@H]1NC(=O)C[NH+](CC)CC ZINC000888042725 584684761 /nfs/dbraw/zinc/68/47/61/584684761.db2.gz XOFZESOGBOBZML-OKILXGFUSA-N 2 0 328.457 -0.330 20 0 EBADRP CN1C(=O)N=NC1CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000889595144 584687580 /nfs/dbraw/zinc/68/75/80/584687580.db2.gz ISUHVIYCNKWEFK-UHFFFAOYSA-N 2 0 341.460 -0.064 20 0 EBADRP CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000890138622 584693114 /nfs/dbraw/zinc/69/31/14/584693114.db2.gz FHDQWBYPTIGFFX-MRXNPFEDSA-N 2 0 341.500 -0.014 20 0 EBADRP C[NH+](C)CCNC(=S)NCCCNC(=S)NCC[NH+](C)C ZINC000007571942 649932319 /nfs/dbraw/zinc/93/23/19/649932319.db2.gz CEXUEBZXFWOCFH-UHFFFAOYSA-N 2 0 334.559 -0.572 20 0 EBADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000665763797 650032878 /nfs/dbraw/zinc/03/28/78/650032878.db2.gz MBYKWXTYPJZWBO-HRCADAONSA-N 2 0 341.500 -0.281 20 0 EBADRP CN(C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)C1(C[NH3+])CCOCC1 ZINC000904969602 650053703 /nfs/dbraw/zinc/05/37/03/650053703.db2.gz JUDACFGXXSCDET-ZDUSSCGKSA-N 2 0 326.441 -0.495 20 0 EBADRP CN(C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)C1(C[NH3+])CCOCC1 ZINC000904978555 650054039 /nfs/dbraw/zinc/05/40/39/650054039.db2.gz CFDIVARNSRBSMP-XJKSGUPXSA-N 2 0 338.452 -0.637 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC[C@@H]1[NH3+] ZINC000904985664 650055734 /nfs/dbraw/zinc/05/57/34/650055734.db2.gz DDRWPFMBQVXGNI-LXTVHRRPSA-N 2 0 338.452 -0.760 20 0 EBADRP [NH3+]CC1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000904990604 650055871 /nfs/dbraw/zinc/05/58/71/650055871.db2.gz PZYJNXYHJXPGJR-HUUCEWRRSA-N 2 0 338.452 -0.759 20 0 EBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2CCOC)C1 ZINC000904992859 650056138 /nfs/dbraw/zinc/05/61/38/650056138.db2.gz CDCXCONWZDMMMN-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000905017172 650059875 /nfs/dbraw/zinc/05/98/75/650059875.db2.gz TWGPZWQWHUSDPV-LSDHHAIUSA-N 2 0 338.452 -0.480 20 0 EBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2COC)C1 ZINC000905022377 650061239 /nfs/dbraw/zinc/06/12/39/650061239.db2.gz QPHJESUMLHCJEO-ZIAGYGMSSA-N 2 0 326.441 -0.767 20 0 EBADRP CC(C)[C@H](C[NH2+]C[C@H](O)C[C@@]1(O)CCOC1)N1CC[NH+](C)CC1 ZINC000905110234 650061888 /nfs/dbraw/zinc/06/18/88/650061888.db2.gz LHADOJARHAJYKZ-IKGGRYGDSA-N 2 0 329.485 -0.250 20 0 EBADRP C[C@@H](CNS(=O)(=O)CC1CC[NH2+]CC1)CN1CC[NH+](C)CC1 ZINC000905338606 650063067 /nfs/dbraw/zinc/06/30/67/650063067.db2.gz UBFGZXOLLLFJKJ-AWEZNQCLSA-N 2 0 332.514 -0.211 20 0 EBADRP O=C(CO)NCCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000906471374 650068128 /nfs/dbraw/zinc/06/81/28/650068128.db2.gz HQROOZLNJXNYKH-UHFFFAOYSA-N 2 0 349.435 -0.792 20 0 EBADRP CN1CC[N@H+](C)CC(C(=O)NCCCC[NH+]2CCC[C@@H]2CO)C1 ZINC000907069755 650076034 /nfs/dbraw/zinc/07/60/34/650076034.db2.gz ZQXLJIGSVAIZOQ-MRXNPFEDSA-N 2 0 326.485 -0.167 20 0 EBADRP CC[N@H+](CCO)CCNC(=O)c1cccn1CCN1CCOCC1 ZINC000907440494 650083125 /nfs/dbraw/zinc/08/31/25/650083125.db2.gz JINCQYKYZTZELG-UHFFFAOYSA-N 2 0 338.452 -0.136 20 0 EBADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907458166 650083405 /nfs/dbraw/zinc/08/34/05/650083405.db2.gz ZEOBUHDAZZEDPD-OAHLLOKOSA-N 2 0 325.501 -0.378 20 0 EBADRP CCOC(=O)[C@H]1CCCN(CC(=O)N[C@@H](CO)C[NH+]2CCCC2)C1 ZINC000908205620 650098478 /nfs/dbraw/zinc/09/84/78/650098478.db2.gz OLGGCRTWXQMNGR-LSDHHAIUSA-N 2 0 341.452 -0.166 20 0 EBADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1=O ZINC000908235262 650099331 /nfs/dbraw/zinc/09/93/31/650099331.db2.gz ALODSWAGJJGWJF-CQSZACIVSA-N 2 0 338.452 -0.623 20 0 EBADRP CCN1CC[C@@H]1CNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000910539435 650112268 /nfs/dbraw/zinc/11/22/68/650112268.db2.gz GDYPRKYAPSMELU-CABCVRRESA-N 2 0 338.452 -0.480 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000910923012 650140795 /nfs/dbraw/zinc/14/07/95/650140795.db2.gz IMYOXNANZUNTMX-ZIAGYGMSSA-N 2 0 326.441 -0.936 20 0 EBADRP C[NH+]1C[C@H]2CN(C(=O)C(=O)N3CC[C@@]4(CC[N@@H+](C)C4)C3)C[C@@]2(C)C1 ZINC000910906563 650139688 /nfs/dbraw/zinc/13/96/88/650139688.db2.gz OSVHXDZBJDRMII-BMGDILEWSA-N 2 0 334.464 -0.049 20 0 EBADRP CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2CCOC)CC1 ZINC000910964049 650142505 /nfs/dbraw/zinc/14/25/05/650142505.db2.gz RBTPFLBJSGGHSX-AWEZNQCLSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C[C@H]1[NH3+] ZINC000910983626 650143608 /nfs/dbraw/zinc/14/36/08/650143608.db2.gz IZBWHNILBCSBOA-HZSPNIEDSA-N 2 0 326.441 -0.591 20 0 EBADRP C[NH2+]CCN(C(=O)C(=O)NC1CC[NH+](CCOC)CC1)C(C)C ZINC000910998236 650143991 /nfs/dbraw/zinc/14/39/91/650143991.db2.gz AXEJSSWOQWHRCA-UHFFFAOYSA-N 2 0 328.457 -0.330 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000910992629 650144012 /nfs/dbraw/zinc/14/40/12/650144012.db2.gz NRWPJSICNZQRFR-ILXRZTDVSA-N 2 0 340.468 -0.569 20 0 EBADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[NH2+]C[C@H]2CCOC)CC1 ZINC000911004385 650144823 /nfs/dbraw/zinc/14/48/23/650144823.db2.gz OXOQGAPMSHGBAB-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911022961 650146175 /nfs/dbraw/zinc/14/61/75/650146175.db2.gz QINIVLBBUPFHLU-UHFFFAOYSA-N 2 0 325.457 -1.000 20 0 EBADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911040008 650147642 /nfs/dbraw/zinc/14/76/42/650147642.db2.gz NWUPCCVYXVHTAI-UKRRQHHQSA-N 2 0 340.468 -0.284 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)[NH+]1CCC(C)CC1 ZINC000911091774 650150617 /nfs/dbraw/zinc/15/06/17/650150617.db2.gz PUGPZCQCFACYHW-RHSMWYFYSA-N 2 0 340.468 -0.465 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000911100996 650151009 /nfs/dbraw/zinc/15/10/09/650151009.db2.gz IYRHOCQMDSAYES-CZUORRHYSA-N 2 0 348.447 -0.033 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000911187920 650157588 /nfs/dbraw/zinc/15/75/88/650157588.db2.gz VPIUHKUZTOHCNO-CQSZACIVSA-N 2 0 339.484 -0.756 20 0 EBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1CCOC ZINC000911187109 650157856 /nfs/dbraw/zinc/15/78/56/650157856.db2.gz MGRSGEKYMDYFIH-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911195029 650158600 /nfs/dbraw/zinc/15/86/00/650158600.db2.gz SDSDCQHWVXWURO-QWHCGFSZSA-N 2 0 326.441 -0.672 20 0 EBADRP C[C@@H](NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)C(C)(C)C[NH+](C)C ZINC000911196094 650158944 /nfs/dbraw/zinc/15/89/44/650158944.db2.gz AIXAHECELQXJIT-WBMJQRKESA-N 2 0 328.457 -0.609 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000911197807 650159002 /nfs/dbraw/zinc/15/90/02/650159002.db2.gz CJRHRSVHZQEWEQ-IOASZLSFSA-N 2 0 342.509 -0.098 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000911200009 650159043 /nfs/dbraw/zinc/15/90/43/650159043.db2.gz NWJBPBRMYQRFBT-OLZOCXBDSA-N 2 0 328.457 -0.474 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CCSC1 ZINC000911201605 650159130 /nfs/dbraw/zinc/15/91/30/650159130.db2.gz XEICPFJMRWZXKK-IUODEOHRSA-N 2 0 328.482 -0.263 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000911206485 650159503 /nfs/dbraw/zinc/15/95/03/650159503.db2.gz GTLMVDPBGLDCAF-CJNGLKHVSA-N 2 0 326.441 -0.711 20 0 EBADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)C(C)C ZINC000911226701 650160916 /nfs/dbraw/zinc/16/09/16/650160916.db2.gz AFQNLAILBSTDKV-KRWDZBQOSA-N 2 0 342.484 -0.076 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000911220253 650160936 /nfs/dbraw/zinc/16/09/36/650160936.db2.gz UMDGFIYAGFQTIU-HIFRSBDPSA-N 2 0 338.452 -0.410 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000911236431 650161951 /nfs/dbraw/zinc/16/19/51/650161951.db2.gz QWJBZUNCFCOKSX-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000911244299 650163170 /nfs/dbraw/zinc/16/31/70/650163170.db2.gz LLVZCVNEFBAWJP-AWEZNQCLSA-N 2 0 340.468 -0.199 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000911259722 650163918 /nfs/dbraw/zinc/16/39/18/650163918.db2.gz ZPMYVEJSOPWTFZ-CZUORRHYSA-N 2 0 326.441 -0.589 20 0 EBADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000911259285 650163970 /nfs/dbraw/zinc/16/39/70/650163970.db2.gz XHILLKBBKKBVHA-GUYCJALGSA-N 2 0 340.468 -0.465 20 0 EBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911291670 650167316 /nfs/dbraw/zinc/16/73/16/650167316.db2.gz MRHDLZQRLJAVDU-KFWWJZLASA-N 2 0 340.468 -0.466 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]3CC[C@]32C[NH3+])C1 ZINC000911242683 650162221 /nfs/dbraw/zinc/16/22/21/650162221.db2.gz RQBBWLAYGAVDLG-ZQIUZPCESA-N 2 0 338.452 -0.447 20 0 EBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000911309574 650169626 /nfs/dbraw/zinc/16/96/26/650169626.db2.gz GJYOLFXAUDVOGO-QPSCCSFWSA-N 2 0 338.452 -0.712 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+](C)CC(C)C ZINC000911312835 650169920 /nfs/dbraw/zinc/16/99/20/650169920.db2.gz NGBCHBLZWSATLZ-CQSZACIVSA-N 2 0 328.457 -0.473 20 0 EBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C[C@]2(C)C1 ZINC000911317489 650170688 /nfs/dbraw/zinc/17/06/88/650170688.db2.gz VXCAWBCPFVJJRZ-YPIIOCQESA-N 2 0 334.464 -0.099 20 0 EBADRP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000911324958 650171281 /nfs/dbraw/zinc/17/12/81/650171281.db2.gz NPXWYONDPXZWTG-JKIFEVAISA-N 2 0 338.452 -0.568 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C[NH2+]1 ZINC000911347119 650173974 /nfs/dbraw/zinc/17/39/74/650173974.db2.gz JKFLCJKCMKKIPX-CBBWQLFWSA-N 2 0 338.452 -0.699 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C[NH+](C)C ZINC000911357820 650174204 /nfs/dbraw/zinc/17/42/04/650174204.db2.gz JDQIFOJMLFVUFU-LXTVHRRPSA-N 2 0 340.468 -0.284 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000911366530 650175175 /nfs/dbraw/zinc/17/51/75/650175175.db2.gz IZCXPZUBGBRXMY-UKRRQHHQSA-N 2 0 339.484 -0.805 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1)C[NH+](C)C ZINC000911432987 650183016 /nfs/dbraw/zinc/18/30/16/650183016.db2.gz AHIDDNLACFXVTI-KBPBESRZSA-N 2 0 328.457 -0.282 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1)C[NH+](C)C ZINC000911435320 650183453 /nfs/dbraw/zinc/18/34/53/650183453.db2.gz LMDNYSOQFQMIIF-MJBXVCDLSA-N 2 0 328.457 -0.345 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)C[NH+](C)C ZINC000911435311 650183525 /nfs/dbraw/zinc/18/35/25/650183525.db2.gz LFENPIBKTUDEOR-MGPQQGTHSA-N 2 0 328.457 -0.345 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1)C[NH+](C)C ZINC000911436537 650183782 /nfs/dbraw/zinc/18/37/82/650183782.db2.gz VBEMNHQTJMVCER-OCCSQVGLSA-N 2 0 328.457 -0.345 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C(C)C)C1)C[NH+](C)C ZINC000911435814 650184017 /nfs/dbraw/zinc/18/40/17/650184017.db2.gz PKPSNYBYPQVLOH-UONOGXRCSA-N 2 0 328.457 -0.474 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2)C[NH+](C)C ZINC000911437092 650184031 /nfs/dbraw/zinc/18/40/31/650184031.db2.gz XSOHJCPVTKVBLB-CJNGLKHVSA-N 2 0 326.441 -0.576 20 0 EBADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911411893 650179593 /nfs/dbraw/zinc/17/95/93/650179593.db2.gz VAZRMUONFVDWJN-CQSZACIVSA-N 2 0 339.484 -0.626 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000911533260 650190865 /nfs/dbraw/zinc/19/08/65/650190865.db2.gz OKUPDCZBVDZAAB-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911549308 650192458 /nfs/dbraw/zinc/19/24/58/650192458.db2.gz DGGGULZXJKHJDG-CBBWQLFWSA-N 2 0 338.452 -0.435 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911549307 650192734 /nfs/dbraw/zinc/19/27/34/650192734.db2.gz DGGGULZXJKHJDG-APIJFGDWSA-N 2 0 338.452 -0.435 20 0 EBADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000911550428 650192967 /nfs/dbraw/zinc/19/29/67/650192967.db2.gz BBCKJJIXYLVGTQ-VHDGCEQUSA-N 2 0 329.404 -0.261 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CCN1c1cc[nH+]cc1 ZINC000911562573 650193814 /nfs/dbraw/zinc/19/38/14/650193814.db2.gz DPRVOFUFLAYFRV-IHRRRGAJSA-N 2 0 331.420 -0.028 20 0 EBADRP CC1[C@H](C(=O)NC23CC[NH+](CC2)C3)[C@H]1C(=O)NC12CC[NH+](CC1)C2 ZINC000913636060 650241635 /nfs/dbraw/zinc/24/16/35/650241635.db2.gz VBJAASJFAKTWJV-KBPBESRZSA-N 2 0 332.448 -0.203 20 0 EBADRP C[NH+]1CCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000913740671 650244729 /nfs/dbraw/zinc/24/47/29/650244729.db2.gz CUXCYXBCXFCBBZ-ILXRZTDVSA-N 2 0 338.452 -0.482 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@H](CO)NC(=O)[C@@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC000913915598 650247964 /nfs/dbraw/zinc/24/79/64/650247964.db2.gz INQPNFMSEMRWQA-RBSFLKMASA-N 2 0 344.500 -0.248 20 0 EBADRP CC1(NC(=O)C23CC[NH+](CC2)C3)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000913842003 650246744 /nfs/dbraw/zinc/24/67/44/650246744.db2.gz RPQSZTBSNSLYBY-UHFFFAOYSA-N 2 0 332.448 -0.105 20 0 EBADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](O)COC1CCOCC1 ZINC000923343048 650338210 /nfs/dbraw/zinc/33/82/10/650338210.db2.gz BFYDSCFXGQJOIQ-GJZGRUSLSA-N 2 0 343.468 -0.138 20 0 EBADRP CCOC(=O)CNC(=O)C1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923373575 650339077 /nfs/dbraw/zinc/33/90/77/650339077.db2.gz PJRXQWVSJZPLFO-CQSZACIVSA-N 2 0 339.436 -0.244 20 0 EBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C2)C1 ZINC000923422978 650339500 /nfs/dbraw/zinc/33/95/00/650339500.db2.gz YIORNOVLIRSJER-IAODNVIUSA-N 2 0 325.453 -0.031 20 0 EBADRP C[C@H](NC(=O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1)C(=O)N(C)C ZINC000923448308 650341069 /nfs/dbraw/zinc/34/10/69/650341069.db2.gz BNHIKBKHSABYSW-STQMWFEESA-N 2 0 326.441 -0.591 20 0 EBADRP Cn1c2nnc(CN3CC[NH2+]CC[NH2+]CC3)n2c2ccccc2c1=O ZINC000923460094 650341148 /nfs/dbraw/zinc/34/11/48/650341148.db2.gz PPBMNIGZXQDRAO-UHFFFAOYSA-N 2 0 341.419 -0.424 20 0 EBADRP C[C@H]1C[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[C@H]1C[NH3+] ZINC000923499246 650342351 /nfs/dbraw/zinc/34/23/51/650342351.db2.gz RRTFRUQSPFAEFT-GJZGRUSLSA-N 2 0 339.484 -0.865 20 0 EBADRP CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000923618622 650348176 /nfs/dbraw/zinc/34/81/76/650348176.db2.gz ATVZYLPQWQRVCQ-GJZGRUSLSA-N 2 0 332.514 -0.069 20 0 EBADRP [NH3+]C[C@H]1CC2(CO1)CCN(S(=O)(=O)C[C@@H]1C[NH2+]CCO1)CC2 ZINC000923687779 650352715 /nfs/dbraw/zinc/35/27/15/650352715.db2.gz LIJZVCRTZWRNRM-OLZOCXBDSA-N 2 0 333.454 -0.866 20 0 EBADRP C[NH+](C)CCCS(=O)(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000923683571 650352741 /nfs/dbraw/zinc/35/27/41/650352741.db2.gz JTLDJAYJBGTIPW-GFCCVEGCSA-N 2 0 333.454 -0.457 20 0 EBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000925168037 650373366 /nfs/dbraw/zinc/37/33/66/650373366.db2.gz GGATWFMWAHLTDZ-MCIONIFRSA-N 2 0 328.482 -0.068 20 0 EBADRP O=C(C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000926343113 650387543 /nfs/dbraw/zinc/38/75/43/650387543.db2.gz CTRKAQWDBLCCFS-HRCADAONSA-N 2 0 334.464 -0.001 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)CCO1 ZINC000926332500 650386571 /nfs/dbraw/zinc/38/65/71/650386571.db2.gz GEDVKTYNRPIIEL-RHSMWYFYSA-N 2 0 338.452 -0.480 20 0 EBADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926338904 650386856 /nfs/dbraw/zinc/38/68/56/650386856.db2.gz AGSNSMPZFYJPMM-CPUCHLNUSA-N 2 0 338.452 -0.616 20 0 EBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000926387771 650390793 /nfs/dbraw/zinc/39/07/93/650390793.db2.gz UJKKFVNIRKRBAO-UHFFFAOYSA-N 2 0 339.484 -0.659 20 0 EBADRP C[C@@H]1[C@H](NC(=O)C[C@@H](O)CC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)CC[NH+]1C ZINC000928440306 651519841 /nfs/dbraw/zinc/51/98/41/651519841.db2.gz KICBMESICPESGT-CUZDEVPKSA-N 2 0 340.468 -0.455 20 0 EBADRP C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000929169828 651536107 /nfs/dbraw/zinc/53/61/07/651536107.db2.gz PXPIVIZFQMWHIB-HUUCEWRRSA-N 2 0 338.452 -0.746 20 0 EBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000929748796 651563251 /nfs/dbraw/zinc/56/32/51/651563251.db2.gz CGSAWYQSEXWVHR-QLFBSQMISA-N 2 0 340.468 -0.500 20 0 EBADRP CN(CC[N@H+](C)C[C@@H](O)C1(O)CCOCC1)C1CC[NH+](C)CC1 ZINC000930112719 651583913 /nfs/dbraw/zinc/58/39/13/651583913.db2.gz GTXXHUZJBMYPSO-MRXNPFEDSA-N 2 0 329.485 -0.153 20 0 EBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000930491181 651599003 /nfs/dbraw/zinc/59/90/03/651599003.db2.gz OEGJXHWRAIYMQB-VAGZCVSGSA-N 2 0 334.464 -0.005 20 0 EBADRP CN1CC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000931888314 651654098 /nfs/dbraw/zinc/65/40/98/651654098.db2.gz FZKAKVQTJHQTAC-RBSFLKMASA-N 2 0 339.484 -0.996 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CC)C[NH+](C)C ZINC000932467518 651682044 /nfs/dbraw/zinc/68/20/44/651682044.db2.gz JNUCZEWOTBXYDV-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000932952403 651703072 /nfs/dbraw/zinc/70/30/72/651703072.db2.gz KKVAIZOPGXFFCY-DZGCQCFKSA-N 2 0 338.452 -0.434 20 0 EBADRP O=C([C@@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCN(C2CN(CCO)C2)CC1 ZINC000941408831 652720268 /nfs/dbraw/zinc/72/02/68/652720268.db2.gz WGMAWUBUCUXJNN-HZPDHXFCSA-N 2 0 336.480 -0.319 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC000939543859 653004189 /nfs/dbraw/zinc/00/41/89/653004189.db2.gz GPPIZVYAKDUPON-VXGBXAGGSA-N 2 0 334.424 -0.859 20 0 EBADRP CC[C@H](C(=O)N1CCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC000944708559 653179221 /nfs/dbraw/zinc/17/92/21/653179221.db2.gz KBPMYTGAFVRRRA-RBSFLKMASA-N 2 0 340.468 -0.236 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+][C@H]2CCCNC2=O)CC1 ZINC000946918432 653263375 /nfs/dbraw/zinc/26/33/75/653263375.db2.gz JYEZKFQZWUMRRZ-UONOGXRCSA-N 2 0 338.452 -0.698 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1)C1CC1 ZINC000946924908 653270553 /nfs/dbraw/zinc/27/05/53/653270553.db2.gz LGTZWTJPXNDLMZ-ZIAGYGMSSA-N 2 0 338.452 -0.842 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(O)(C[NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC000946927388 653274162 /nfs/dbraw/zinc/27/41/62/653274162.db2.gz HSDVGPXRPGLSDQ-UONOGXRCSA-N 2 0 338.452 -0.840 20 0 EBADRP CC(C)[C@H](C(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1)[NH+](C)C ZINC000946927999 653274656 /nfs/dbraw/zinc/27/46/56/653274656.db2.gz PJIOMEQWUMINAM-UONOGXRCSA-N 2 0 340.468 -0.596 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(O)(C[NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC000946929088 653276294 /nfs/dbraw/zinc/27/62/94/653276294.db2.gz ZGVMSEGNPOSGHD-UONOGXRCSA-N 2 0 338.452 -0.840 20 0 EBADRP CN1CC[C@H]([NH2+]CC2(O)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000946932834 653277174 /nfs/dbraw/zinc/27/71/74/653277174.db2.gz NMXAAJJDYBPQTB-KBPBESRZSA-N 2 0 338.452 -0.888 20 0 EBADRP C[C@@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@@H+]1C)CCO2 ZINC000949051245 653591357 /nfs/dbraw/zinc/59/13/57/653591357.db2.gz BMTSXTSFUPXNKR-UONOGXRCSA-N 2 0 338.452 -0.352 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CC3(CC(NC(=O)[C@@H]4CC[N@H+](C)C4)C3)C2)nc1=O ZINC000965912629 724539049 /nfs/dbraw/zinc/53/90/49/724539049.db2.gz OSYHGLGKEWZTCC-PJMHRPOASA-N 2 0 348.451 -0.423 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000954843493 719934773 /nfs/dbraw/zinc/93/47/73/719934773.db2.gz VEJJGPIRUUSQDR-UKRRQHHQSA-N 2 0 334.464 -0.051 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2C[N@H+](CC3CC3)C[C@@H]2O)n1 ZINC000958076332 722301401 /nfs/dbraw/zinc/30/14/01/722301401.db2.gz DRBWOBRWGKVVOE-HOCLYGCPSA-N 2 0 335.452 -0.123 20 0 EBADRP O=C(NC[C@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC000958214907 722328710 /nfs/dbraw/zinc/32/87/10/722328710.db2.gz OJMKLAMVNZHZIZ-GJZGRUSLSA-N 2 0 348.451 -0.685 20 0 EBADRP C[NH+](C)CCc1ccccc1C(=O)NC[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC000958282821 722336961 /nfs/dbraw/zinc/33/69/61/722336961.db2.gz AJTSHCPYFCEKMN-NVXWUHKLSA-N 2 0 335.448 -0.195 20 0 EBADRP Cn1nccc1CC[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958592198 722397450 /nfs/dbraw/zinc/39/74/50/722397450.db2.gz MSPSYSBAUNLGIG-GDBMZVCRSA-N 2 0 347.463 -0.533 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C1)C1CC1 ZINC001018966709 728757888 /nfs/dbraw/zinc/75/78/88/728757888.db2.gz QLIWPQUBFZQUEC-GOEBONIOSA-N 2 0 338.452 -0.624 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)C1CC1 ZINC001018967646 728758311 /nfs/dbraw/zinc/75/83/11/728758311.db2.gz HNJAPDDPWZXOEN-XJKSGUPXSA-N 2 0 336.436 -0.334 20 0 EBADRP CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cncc2C)C1=O ZINC000961179944 722911483 /nfs/dbraw/zinc/91/14/83/722911483.db2.gz YTBJPXZNPGLJHD-CTASWTNQSA-N 2 0 331.420 -0.141 20 0 EBADRP Cn1[nH]c(C[NH2+]CC2CC(NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)nc1=O ZINC000961841341 723097512 /nfs/dbraw/zinc/09/75/12/723097512.db2.gz MTFSNVHREUHIPV-UBHUBRDASA-N 2 0 348.451 -0.565 20 0 EBADRP C[N@H+](CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1)C1CCC1 ZINC000961929755 723122077 /nfs/dbraw/zinc/12/20/77/723122077.db2.gz CKGVBAOERBAXSJ-ILXRZTDVSA-N 2 0 338.452 -0.747 20 0 EBADRP C[NH+]1CCC(CC(=O)N[C@@H]2[C@H]3C[N@H+](CCN4CCNC4=O)C[C@H]32)CC1 ZINC000961958801 723131334 /nfs/dbraw/zinc/13/13/34/723131334.db2.gz QMAFPRUEQNQUCS-QLPKVWCKSA-N 2 0 349.479 -0.210 20 0 EBADRP O=C(NC1CC(C[NH2+]Cc2cnon2)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000962105271 723172863 /nfs/dbraw/zinc/17/28/63/723172863.db2.gz XTQBPDMCFJMSCL-BGCMAFRMSA-N 2 0 347.419 -0.083 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[NH+](CCN4CCNC4=O)C[C@H]32)C1 ZINC000962293593 723218993 /nfs/dbraw/zinc/21/89/93/723218993.db2.gz PHHLKSUMNGBFMK-TTZDDIAXSA-N 2 0 335.452 -0.600 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000962297473 723220291 /nfs/dbraw/zinc/22/02/91/723220291.db2.gz LKKQGQROCBKFOB-FOLVSLTJSA-N 2 0 332.448 -0.249 20 0 EBADRP O=C(C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1)N1CCC1 ZINC001019168753 728814106 /nfs/dbraw/zinc/81/41/06/728814106.db2.gz UIUQFXWFABDCMH-DIODGJHASA-N 2 0 348.447 -0.728 20 0 EBADRP CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1)[NH+](C)C ZINC000963474500 723431820 /nfs/dbraw/zinc/43/18/20/723431820.db2.gz WTGYFVYUCSPKOI-YCPHGPKFSA-N 2 0 340.468 -0.644 20 0 EBADRP C[N@H+](CC(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1)C1CCC1 ZINC000963487446 723434017 /nfs/dbraw/zinc/43/40/17/723434017.db2.gz UPSVDRJKGONIID-CABCVRRESA-N 2 0 338.452 -0.746 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001019384249 728876184 /nfs/dbraw/zinc/87/61/84/728876184.db2.gz XWCKUTGQFIEEBK-OLZOCXBDSA-N 2 0 337.424 -0.930 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C1)[NH+](C)C ZINC001019397176 728878463 /nfs/dbraw/zinc/87/84/63/728878463.db2.gz MVXRIIXNGMDCML-KBPBESRZSA-N 2 0 326.441 -0.624 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)CCn3ccnc3)C[C@@H]2O)C1 ZINC000969078835 725149184 /nfs/dbraw/zinc/14/91/84/725149184.db2.gz WLFNFEWMCJLUAQ-ZNMIVQPWSA-N 2 0 349.435 -0.697 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1)C(N)=O ZINC000969086404 725149792 /nfs/dbraw/zinc/14/97/92/725149792.db2.gz MWGPSCBWXYAWLX-QWHCGFSZSA-N 2 0 326.441 -0.591 20 0 EBADRP Cn1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)n1 ZINC000969407823 725177199 /nfs/dbraw/zinc/17/71/99/725177199.db2.gz WYRZANLBTOKPBT-WKPSDNRBSA-N 2 0 345.447 -0.026 20 0 EBADRP C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1C[NH+](CCN2CCNC2=O)C1 ZINC000969676752 725202219 /nfs/dbraw/zinc/20/22/19/725202219.db2.gz IEJBKFFFSBHOHC-BBRMVZONSA-N 2 0 349.479 -0.210 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC000970096977 725250316 /nfs/dbraw/zinc/25/03/16/725250316.db2.gz JSFRUYQTJGNRCW-XQQFMLRXSA-N 2 0 335.408 -0.876 20 0 EBADRP C[NH+]1CCC(CC(=O)N2CC[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CC1 ZINC000970178672 725259183 /nfs/dbraw/zinc/25/91/83/725259183.db2.gz XHXOWFBVEYRECJ-KGLIPLIRSA-N 2 0 336.436 -0.286 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC000970478571 725295184 /nfs/dbraw/zinc/29/51/84/725295184.db2.gz MGAGOTHOJYKVNV-HUUCEWRRSA-N 2 0 338.452 -0.623 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC000970478579 725295244 /nfs/dbraw/zinc/29/52/44/725295244.db2.gz MGAGOTHOJYKVNV-LSDHHAIUSA-N 2 0 338.452 -0.623 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)C1 ZINC000970713491 725319877 /nfs/dbraw/zinc/31/98/77/725319877.db2.gz YYNDZSXTKJPTCG-LSDHHAIUSA-N 2 0 343.493 -0.047 20 0 EBADRP C[N@H+](CCN1CCNC1=O)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000971544887 725419803 /nfs/dbraw/zinc/41/98/03/725419803.db2.gz FQDHHDQOXILGSO-JKSUJKDBSA-N 2 0 349.479 -0.114 20 0 EBADRP C[N@H+](CCN1CCNC1=O)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000971544874 725420024 /nfs/dbraw/zinc/42/00/24/725420024.db2.gz FQDHHDQOXILGSO-CVEARBPZSA-N 2 0 349.479 -0.114 20 0 EBADRP C[C@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000971555641 725421038 /nfs/dbraw/zinc/42/10/38/725421038.db2.gz HWQBCJSCHNCZII-OLZOCXBDSA-N 2 0 336.440 -0.535 20 0 EBADRP C[N@H+](CCN1CCNC1=O)[C@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC000971654244 725428449 /nfs/dbraw/zinc/42/84/49/725428449.db2.gz YFMGJDUBYQSTMN-AWEZNQCLSA-N 2 0 334.424 -0.100 20 0 EBADRP C[N@H+]([C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)[C@@H]1CCC(=O)NC1=O ZINC000971861777 725443281 /nfs/dbraw/zinc/44/32/81/725443281.db2.gz UTLPRXXFJQTYRZ-UONOGXRCSA-N 2 0 348.447 -0.047 20 0 EBADRP C[N@H+](CCN1CCNC1=O)[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000972733046 725588500 /nfs/dbraw/zinc/58/85/00/725588500.db2.gz OKOABTIPOQJAQI-LSDHHAIUSA-N 2 0 337.468 -0.114 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC(NC(=O)C[NH+]3CCCC3)C2)cn1 ZINC000991746694 725600002 /nfs/dbraw/zinc/60/00/02/725600002.db2.gz HNDWYAHTWSAAGF-UHFFFAOYSA-N 2 0 348.451 -0.519 20 0 EBADRP O=C(C[NH+]1CCCC1)NC1CN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000991751685 725603583 /nfs/dbraw/zinc/60/35/83/725603583.db2.gz JZMUIAUATLYYJD-HUUCEWRRSA-N 2 0 336.436 -0.728 20 0 EBADRP O=C(NC1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000991884765 725666062 /nfs/dbraw/zinc/66/60/62/725666062.db2.gz QZTKSFWBVHITOM-IAGOWNOFSA-N 2 0 346.475 -0.003 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CC(NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000991895801 725670286 /nfs/dbraw/zinc/67/02/86/725670286.db2.gz UACOIVUHFMYILI-BBRMVZONSA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC[N@@H+]1C ZINC000991895884 725670334 /nfs/dbraw/zinc/67/03/34/725670334.db2.gz UGOFARFQCYHCII-DAXOMENPSA-N 2 0 334.464 -0.005 20 0 EBADRP O=C(Cc1ncc[nH]1)N[C@]12CCC[C@H]1[N@@H+]([C@H]1CCC(=O)NC1=O)CC2 ZINC000992376624 725789359 /nfs/dbraw/zinc/78/93/59/725789359.db2.gz KKRBVNXIEGDMFP-JKDFXYPNSA-N 2 0 345.403 -0.129 20 0 EBADRP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000976278883 726251058 /nfs/dbraw/zinc/25/10/58/726251058.db2.gz KUUGOIFOIANMGW-DEQQHWRFSA-N 2 0 334.464 -0.005 20 0 EBADRP C[NH+](C)C1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC000976541533 726340742 /nfs/dbraw/zinc/34/07/42/726340742.db2.gz RFFMAYJLWKGXFJ-BYNSBNAKSA-N 2 0 334.464 -0.005 20 0 EBADRP Cn1cnnc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000996618951 726420277 /nfs/dbraw/zinc/42/02/77/726420277.db2.gz HZMPSGQNIILWNZ-LSDHHAIUSA-N 2 0 348.451 -0.241 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2CCC([NH+]3CCN(CCO)CC3)CC2)C1 ZINC000996801126 726427855 /nfs/dbraw/zinc/42/78/55/726427855.db2.gz DBBQDACGQBVWGZ-KLAILNCOSA-N 2 0 338.496 -0.025 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC([NH2+]Cc3nc(=O)n(C)[nH]3)CC2)C1 ZINC000997006458 726434574 /nfs/dbraw/zinc/43/45/74/726434574.db2.gz MCHZCALVKYLPLN-LBPRGKRZSA-N 2 0 336.440 -0.469 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CCC([NH2+][C@H]3CCNC3=O)CC2)cn1 ZINC000997085760 726437468 /nfs/dbraw/zinc/43/74/68/726437468.db2.gz UUDPKWHVCGFSOV-HNNXBMFYSA-N 2 0 348.451 -0.473 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(C[NH2+][C@H]3CCC(=O)NC3=O)CC2)C1 ZINC000998265355 726482919 /nfs/dbraw/zinc/48/29/19/726482919.db2.gz LRKSRAMUPZTNLG-KBPBESRZSA-N 2 0 336.436 -0.429 20 0 EBADRP NC(=O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C(F)(F)F ZINC000998304925 726484196 /nfs/dbraw/zinc/48/41/96/726484196.db2.gz PQGMVTXTUNSDLI-WDEREUQCSA-N 2 0 348.369 -0.064 20 0 EBADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]CC(=O)N2CCOCC2)C1 ZINC000998553410 726490721 /nfs/dbraw/zinc/49/07/21/726490721.db2.gz WQKHZRJOCSZJML-NRXISQOPSA-N 2 0 338.452 -0.482 20 0 EBADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CCC1 ZINC000999346871 726515262 /nfs/dbraw/zinc/51/52/62/726515262.db2.gz GZVRSDHFVUNXNG-CHWSQXEVSA-N 2 0 336.436 -0.144 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1)C1CC1 ZINC000999363071 726516408 /nfs/dbraw/zinc/51/64/08/726516408.db2.gz BYYUPAPHPMVOCQ-CABCVRRESA-N 2 0 337.468 -0.068 20 0 EBADRP COCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C)nn2)C1 ZINC000999962310 726544851 /nfs/dbraw/zinc/54/48/51/726544851.db2.gz LKZGTKJTSZVOFC-HUUCEWRRSA-N 2 0 336.440 -0.118 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001000082560 726554082 /nfs/dbraw/zinc/55/40/82/726554082.db2.gz QRLDXZADRCQCGF-UONOGXRCSA-N 2 0 336.436 -0.286 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1)[NH+](C)C ZINC001000217511 726559898 /nfs/dbraw/zinc/55/98/98/726559898.db2.gz HHWONGVGAZKTCJ-KGLIPLIRSA-N 2 0 325.457 -0.068 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001000222230 726560230 /nfs/dbraw/zinc/56/02/30/726560230.db2.gz CQMUCPNLWUZOQP-STQMWFEESA-N 2 0 339.440 -0.541 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001000688660 726575276 /nfs/dbraw/zinc/57/52/76/726575276.db2.gz LUKQLRLUDSXJAS-LSDHHAIUSA-N 2 0 337.468 -0.066 20 0 EBADRP C[C@@H](O)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001000979394 726585946 /nfs/dbraw/zinc/58/59/46/726585946.db2.gz ZIADBCDYTLWTAP-REUGXJQISA-N 2 0 335.448 -0.021 20 0 EBADRP Cc1nccn1CC(=O)N1CC(CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001001312920 726602474 /nfs/dbraw/zinc/60/24/74/726602474.db2.gz UMVFPHDPTOTFKC-AWEZNQCLSA-N 2 0 335.408 -0.903 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001002082990 726631941 /nfs/dbraw/zinc/63/19/41/726631941.db2.gz GSXJOTXRCQCHSH-HZPDHXFCSA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001003334558 726670133 /nfs/dbraw/zinc/67/01/33/726670133.db2.gz WSNTUACPSXBPJU-AWEZNQCLSA-N 2 0 334.464 -0.001 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC001003976868 726696560 /nfs/dbraw/zinc/69/65/60/726696560.db2.gz SRMSPOTTWGQUQA-GXTWGEPZSA-N 2 0 336.436 -0.286 20 0 EBADRP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001006131814 726756591 /nfs/dbraw/zinc/75/65/91/726756591.db2.gz ZZJLSLFIINJDIA-KGLIPLIRSA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001009525727 726928406 /nfs/dbraw/zinc/92/84/06/726928406.db2.gz WLYLKUYQSQLVAG-HZPDHXFCSA-N 2 0 335.452 -0.080 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCN2C(=O)CNC2=O)C1 ZINC001010381866 727081135 /nfs/dbraw/zinc/08/11/35/727081135.db2.gz DQAXUSQYIASXKU-STQMWFEESA-N 2 0 337.424 -0.787 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@H](C[NH2+]Cc3cnnn3C)C2)C1 ZINC001051823406 735415190 /nfs/dbraw/zinc/41/51/90/735415190.db2.gz AGFUUGSNNXUZCY-UKRRQHHQSA-N 2 0 336.440 -0.526 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N2CCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001051825662 735417246 /nfs/dbraw/zinc/41/72/46/735417246.db2.gz VCNGHDFBSGYQRB-ZIAGYGMSSA-N 2 0 338.452 -0.576 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001011159045 727478325 /nfs/dbraw/zinc/47/83/25/727478325.db2.gz LUWRYOKJYHPZEL-JKSUJKDBSA-N 2 0 334.464 -0.049 20 0 EBADRP Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001051904152 735455672 /nfs/dbraw/zinc/45/56/72/735455672.db2.gz CLNXTUQTANEHDY-AWEZNQCLSA-N 2 0 334.424 -0.772 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H](N2CC[NH+](CCCO)CC2)C1)[NH+](C)C ZINC001052042517 735517784 /nfs/dbraw/zinc/51/77/84/735517784.db2.gz CNYHCHKDVZLVRA-JKSUJKDBSA-N 2 0 326.485 -0.073 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](N3CC[NH+](CCCO)CC3)C2)C1 ZINC001052084281 735538548 /nfs/dbraw/zinc/53/85/48/735538548.db2.gz UPLCBFYCKGEQPL-DLBZAZTESA-N 2 0 338.496 -0.071 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001018635742 728682717 /nfs/dbraw/zinc/68/27/17/728682717.db2.gz RXGGZAQXEBXFRD-KBPBESRZSA-N 2 0 344.481 -0.693 20 0 EBADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1)C(N)=O ZINC001018860894 728696038 /nfs/dbraw/zinc/69/60/38/728696038.db2.gz KVENLBGEMHRRCP-QWHCGFSZSA-N 2 0 336.440 -0.487 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001019654811 728964255 /nfs/dbraw/zinc/96/42/55/728964255.db2.gz DCVGUMKCHJPROA-KGLIPLIRSA-N 2 0 336.436 -0.332 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)n1 ZINC001020165193 729089171 /nfs/dbraw/zinc/08/91/71/729089171.db2.gz NUUABQXFBLKXQH-JHJVBQTASA-N 2 0 334.424 -0.816 20 0 EBADRP Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001020165170 729089400 /nfs/dbraw/zinc/08/94/00/729089400.db2.gz MVFQPOXYPKBBEW-JOCQHMNTSA-N 2 0 346.439 -0.376 20 0 EBADRP CCn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020179190 729092141 /nfs/dbraw/zinc/09/21/41/729092141.db2.gz RPAFOOXSRSHXCD-KQTLUZQSSA-N 2 0 348.451 -0.102 20 0 EBADRP O=C(N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001020178689 729092459 /nfs/dbraw/zinc/09/24/59/729092459.db2.gz BBSBLSSICPQTKP-AJNGGQMLSA-N 2 0 334.424 -0.622 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1)C(N)=O ZINC001020235780 729110034 /nfs/dbraw/zinc/11/00/34/729110034.db2.gz DIGOYUUPZFKGHB-RGCMKSIDSA-N 2 0 338.452 -0.260 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1)C(N)=O ZINC001020235777 729110084 /nfs/dbraw/zinc/11/00/84/729110084.db2.gz DIGOYUUPZFKGHB-ABHRYQDASA-N 2 0 338.452 -0.260 20 0 EBADRP Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001020405966 729160057 /nfs/dbraw/zinc/16/00/57/729160057.db2.gz GZWCDYIPFBDOSO-DEWJTKQSSA-N 2 0 346.435 -0.585 20 0 EBADRP Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001020405965 729160193 /nfs/dbraw/zinc/16/01/93/729160193.db2.gz GZWCDYIPFBDOSO-BUWUWWBNSA-N 2 0 346.435 -0.585 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001020588847 729205622 /nfs/dbraw/zinc/20/56/22/729205622.db2.gz OHOOISMYVISCIG-KBUPBQIOSA-N 2 0 343.493 0.000 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)nc1=O ZINC001020592048 729206416 /nfs/dbraw/zinc/20/64/16/729206416.db2.gz ZCEODGJYPHGKPG-HAQNSBGRSA-N 2 0 336.440 -0.423 20 0 EBADRP CN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)c3cnn(CC[NH+](C)C)c3)C2)C1=O ZINC001020722394 729223747 /nfs/dbraw/zinc/22/37/47/729223747.db2.gz YIOGERCGOVIPKU-KKUMJFAQSA-N 2 0 348.451 -0.474 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C2)nc1=O ZINC001022078262 729452065 /nfs/dbraw/zinc/45/20/65/729452065.db2.gz ZQQHTWARKLAFIE-YIYPIFLZSA-N 2 0 348.451 -0.280 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001022105035 729455778 /nfs/dbraw/zinc/45/57/78/729455778.db2.gz LUZCZQPTBFUSQR-APIJFGDWSA-N 2 0 338.452 -0.578 20 0 EBADRP CCn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001022119418 729457356 /nfs/dbraw/zinc/45/73/56/729457356.db2.gz FRNILRSFFPONSL-LJISPDSOSA-N 2 0 348.451 -0.102 20 0 EBADRP CCn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022120833 729457679 /nfs/dbraw/zinc/45/76/79/729457679.db2.gz RPAFOOXSRSHXCD-CTASWTNQSA-N 2 0 348.451 -0.102 20 0 EBADRP 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Cn1nnnc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001023988874 729824919 /nfs/dbraw/zinc/82/49/19/729824919.db2.gz HBVWWXGSUDWDOK-DZGCQCFKSA-N 2 0 347.467 -0.120 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1)[NH+](C)C ZINC001024038495 729833063 /nfs/dbraw/zinc/83/30/63/729833063.db2.gz HMTSWERAMFEVQY-QWHCGFSZSA-N 2 0 338.456 -0.223 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)CC1 ZINC001024417584 729885122 /nfs/dbraw/zinc/88/51/22/729885122.db2.gz UHXXTBOQMBUVBH-HUUCEWRRSA-N 2 0 338.452 -0.888 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001025135370 730003936 /nfs/dbraw/zinc/00/39/36/730003936.db2.gz XPXZPDCJOOIYHS-LXTVHRRPSA-N 2 0 338.452 -0.747 20 0 EBADRP CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1=O ZINC001025787563 730088454 /nfs/dbraw/zinc/08/84/54/730088454.db2.gz UAMZEIYMOPYYOO-NRKLIOEPSA-N 2 0 346.475 -0.005 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025798616 730090500 /nfs/dbraw/zinc/09/05/00/730090500.db2.gz AHTFOFCOSLXGNM-ZOFXXKQRSA-N 2 0 345.447 -0.207 20 0 EBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001025812878 730095161 /nfs/dbraw/zinc/09/51/61/730095161.db2.gz VOHQYNYSCSMPRR-OWYFMNJBSA-N 2 0 334.464 -0.101 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)[C@H](C1CC1)[NH+]1CCCC1 ZINC001025926236 730108841 /nfs/dbraw/zinc/10/88/41/730108841.db2.gz JZLYQYZIVQFFEN-LEOABGAYSA-N 2 0 332.448 -0.204 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001025926235 730108943 /nfs/dbraw/zinc/10/89/43/730108943.db2.gz JZLYQYZIVQFFEN-DGADGQDISA-N 2 0 332.448 -0.204 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001026040880 730117255 /nfs/dbraw/zinc/11/72/55/730117255.db2.gz SVLSFEADLBVPNX-LVYCXYHQSA-N 2 0 334.420 -0.678 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCCN(C)C4=O)C[C@H]32)C1 ZINC001026043518 730117477 /nfs/dbraw/zinc/11/74/77/730117477.db2.gz IALGXZFMVAZNFQ-KSXIZUIISA-N 2 0 334.464 -0.005 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001026140374 730124461 /nfs/dbraw/zinc/12/44/61/730124461.db2.gz KLQDUMVNIZODRU-WSGDXGOYSA-N 2 0 334.420 -0.820 20 0 EBADRP Cn1nnnc1C[NH2+][C@H]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001026348275 730139718 /nfs/dbraw/zinc/13/97/18/730139718.db2.gz DUACNBQEDZNUPP-ZNMIVQPWSA-N 2 0 347.467 -0.122 20 0 EBADRP Cn1nnnc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]12 ZINC001026419676 730144192 /nfs/dbraw/zinc/14/41/92/730144192.db2.gz BEEGHHSDHZFRGQ-MGPQQGTHSA-N 2 0 333.440 -0.368 20 0 EBADRP C[NH+](C)C1(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)CCC1 ZINC001026885052 730166931 /nfs/dbraw/zinc/16/69/31/730166931.db2.gz FKGXXXIYARJCGY-QWHCGFSZSA-N 2 0 336.436 -0.286 20 0 EBADRP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC[C@H](C[NH2+]Cc2cnon2)C1 ZINC001026964352 730177018 /nfs/dbraw/zinc/17/70/18/730177018.db2.gz LUJUSYOREFUVBF-RXAYYZCOSA-N 2 0 347.419 -0.129 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nc1=O ZINC001027172817 730194833 /nfs/dbraw/zinc/19/48/33/730194833.db2.gz DQHLCRRDNOPHCC-LBPRGKRZSA-N 2 0 334.424 -0.858 20 0 EBADRP O=C(N1CC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001027173818 730195044 /nfs/dbraw/zinc/19/50/44/730195044.db2.gz WKEFKXLROBGJBR-QWHCGFSZSA-N 2 0 334.420 -0.675 20 0 EBADRP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001028547403 730312053 /nfs/dbraw/zinc/31/20/53/730312053.db2.gz SORLKHXSKPROGG-QWHCGFSZSA-N 2 0 336.440 -0.630 20 0 EBADRP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001028547404 730312350 /nfs/dbraw/zinc/31/23/50/730312350.db2.gz SORLKHXSKPROGG-STQMWFEESA-N 2 0 336.440 -0.630 20 0 EBADRP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001028859812 730363686 /nfs/dbraw/zinc/36/36/86/730363686.db2.gz IKIKODUUBMABJW-QWHCGFSZSA-N 2 0 336.440 -0.630 20 0 EBADRP O=C(NC[C@@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1)C12CC[NH+](CC1)C2 ZINC001028931739 730372312 /nfs/dbraw/zinc/37/23/12/730372312.db2.gz WVVRIAUDYRYYCE-AWEZNQCLSA-N 2 0 348.447 -0.331 20 0 EBADRP C[N@H+](C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)[C@H]1CCC(=O)NC1=O ZINC001029905942 730523185 /nfs/dbraw/zinc/52/31/85/730523185.db2.gz XZEWANYYEVPWOI-KBPBESRZSA-N 2 0 336.436 -0.332 20 0 EBADRP O=C(NCC1C[NH+](CCn2cncn2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031688494 730750647 /nfs/dbraw/zinc/75/06/47/730750647.db2.gz GMGSERNIIJSDQE-CABCVRRESA-N 2 0 334.424 -0.811 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CN(C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001032186020 730823836 /nfs/dbraw/zinc/82/38/36/730823836.db2.gz GKNBKMNDGHPRBB-GXTWGEPZSA-N 2 0 329.466 -0.579 20 0 EBADRP CN1CCC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C23CC[NH+](CC2)C3)C1=O ZINC001032734063 730921185 /nfs/dbraw/zinc/92/11/85/730921185.db2.gz VCLVHIVRPITOOF-KKUMJFAQSA-N 2 0 332.448 -0.012 20 0 EBADRP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](O)Cn1cccn1)C12CC[NH+](CC1)C2 ZINC001032734027 730921275 /nfs/dbraw/zinc/92/12/75/730921275.db2.gz SLJPROYFIIWRMG-JYJNAYRXSA-N 2 0 345.447 -0.375 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001032828501 730940039 /nfs/dbraw/zinc/94/00/39/730940039.db2.gz ABVLWNYPHVAOJR-MELADBBJSA-N 2 0 329.466 -0.294 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCCC[NH+](CCN3CCNC3=O)C2)C1 ZINC001034526091 731138519 /nfs/dbraw/zinc/13/85/19/731138519.db2.gz UEAYHIWYBVYACT-CABCVRRESA-N 2 0 337.468 -0.066 20 0 EBADRP NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001034693927 731150927 /nfs/dbraw/zinc/15/09/27/731150927.db2.gz JCSJLPWWNJJEBM-DEWJTKQSSA-N 2 0 336.436 -0.648 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001034964329 731169360 /nfs/dbraw/zinc/16/93/60/731169360.db2.gz IGMDEWVZFHXUGA-IPYPFGDCSA-N 2 0 338.452 -0.042 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039760444 731523251 /nfs/dbraw/zinc/52/32/51/731523251.db2.gz MRYNBEOVOMDREB-YOEHRIQHSA-N 2 0 340.468 -0.641 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001039760371 731523324 /nfs/dbraw/zinc/52/33/24/731523324.db2.gz LXSXSLSJQKPJPV-PBHICJAKSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001039784336 731532851 /nfs/dbraw/zinc/53/28/51/731532851.db2.gz COUVNZGRBDJBLT-MRXNPFEDSA-N 2 0 328.457 -0.641 20 0 EBADRP CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)C[N@H+](C)C(C)C)C1)[NH+](C)C ZINC001040202704 731642060 /nfs/dbraw/zinc/64/20/60/731642060.db2.gz UZIKSVKQLSDUTI-PBHICJAKSA-N 2 0 342.484 -0.254 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001040447341 731737283 /nfs/dbraw/zinc/73/72/83/731737283.db2.gz QHEVFHJMKPWLRV-YOEHRIQHSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001061426544 738537580 /nfs/dbraw/zinc/53/75/80/738537580.db2.gz PXOOLZXGAXZYNF-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)C1 ZINC001040797598 731879366 /nfs/dbraw/zinc/87/93/66/731879366.db2.gz JZUYZHLAWWMBBH-PBHICJAKSA-N 2 0 340.468 -0.641 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001042103443 732313445 /nfs/dbraw/zinc/31/34/45/732313445.db2.gz FGTKSCPPLMSQMR-CYBMUJFWSA-N 2 0 326.441 -0.890 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061599386 738639870 /nfs/dbraw/zinc/63/98/70/738639870.db2.gz QRVUILVCUDOZKD-LSDHHAIUSA-N 2 0 338.452 -0.480 20 0 EBADRP O=C(C[NH+]1CCCC1)NCC1(O)CN(C(=O)CCc2ncc[nH]2)C1 ZINC001043123390 732771152 /nfs/dbraw/zinc/77/11/52/732771152.db2.gz CMCXEOREKJFAQJ-UHFFFAOYSA-N 2 0 335.408 -0.872 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043124851 732773111 /nfs/dbraw/zinc/77/31/11/732773111.db2.gz WVVQQMYKNNCNFH-UHFFFAOYSA-N 2 0 326.441 -0.887 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001061602628 738643348 /nfs/dbraw/zinc/64/33/48/738643348.db2.gz MRXYVGFTRYSMSQ-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043126718 732775118 /nfs/dbraw/zinc/77/51/18/732775118.db2.gz BVEWAKOUNHGAAI-CQSZACIVSA-N 2 0 338.452 -0.744 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001043158167 732794564 /nfs/dbraw/zinc/79/45/64/732794564.db2.gz RNVZDIJCFZTYRH-UHFFFAOYSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001043160151 732796801 /nfs/dbraw/zinc/79/68/01/732796801.db2.gz XAAMAELPVBNXFD-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061605911 738646218 /nfs/dbraw/zinc/64/62/18/738646218.db2.gz ZWRCWNPOGQQGDC-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001043261788 732847899 /nfs/dbraw/zinc/84/78/99/732847899.db2.gz QMROLHODJXANFU-ZIAGYGMSSA-N 2 0 340.468 -0.642 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)Cn2ccnc2)C1 ZINC001043410842 732919427 /nfs/dbraw/zinc/91/94/27/732919427.db2.gz UBTOOYOKBWQUJW-AWEZNQCLSA-N 2 0 349.435 -0.553 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043416269 732923429 /nfs/dbraw/zinc/92/34/29/732923429.db2.gz VOFDNZIMIRCAGY-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001043426700 732931387 /nfs/dbraw/zinc/93/13/87/732931387.db2.gz CGFVCIRWLSOTOH-CYBMUJFWSA-N 2 0 326.441 -0.890 20 0 EBADRP C[N@H+](CC(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1)C1CCC1 ZINC001043530979 732994665 /nfs/dbraw/zinc/99/46/65/732994665.db2.gz PBTCDJLVSYGVNH-UHFFFAOYSA-N 2 0 338.452 -0.744 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001043771303 733105027 /nfs/dbraw/zinc/10/50/27/733105027.db2.gz SSELQZDVJINEFQ-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001061690443 738700398 /nfs/dbraw/zinc/70/03/98/738700398.db2.gz IQNDGVCPRQYHNK-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)C[NH+](C)C(C)C)C1 ZINC001044294636 733363323 /nfs/dbraw/zinc/36/33/23/733363323.db2.gz QBMHYFYBRQRNOE-UHFFFAOYSA-N 2 0 342.484 -0.252 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001045388772 733682933 /nfs/dbraw/zinc/68/29/33/733682933.db2.gz DOCTZSKGBQDWAZ-OLZOCXBDSA-N 2 0 336.436 -0.144 20 0 EBADRP CC[C@@H](C(=O)N1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1)[NH+](C)C ZINC001045392160 733684693 /nfs/dbraw/zinc/68/46/93/733684693.db2.gz PRHJSCNLNQTMQQ-ZDUSSCGKSA-N 2 0 340.468 -0.642 20 0 EBADRP CN1CCO[C@H](C(=O)NC2(C)CC[NH+]([C@@H]3CCCNC3=O)CC2)C1 ZINC001045397811 733686572 /nfs/dbraw/zinc/68/65/72/733686572.db2.gz PGBBFFHVFQSZOI-KGLIPLIRSA-N 2 0 338.452 -0.434 20 0 EBADRP CC[C@H](C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1)[NH+](C)C ZINC001045412396 733689545 /nfs/dbraw/zinc/68/95/45/733689545.db2.gz BFKLZQPEUKWESK-CYBMUJFWSA-N 2 0 328.457 -0.642 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045413559 733690463 /nfs/dbraw/zinc/69/04/63/733690463.db2.gz RBEMLUNLMGUQJS-UHFFFAOYSA-N 2 0 328.457 -0.641 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045713389 733757223 /nfs/dbraw/zinc/75/72/23/733757223.db2.gz FDOARVQRWQKOJZ-UHFFFAOYSA-N 2 0 328.457 -0.641 20 0 EBADRP Cn1[nH]c(CN2[C@@H]3CC[C@H]2CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC3)nc1=O ZINC001045732824 733763191 /nfs/dbraw/zinc/76/31/91/733763191.db2.gz ZIJCNSWPTSHLMT-RDBSUJKOSA-N 2 0 348.451 -0.232 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCN([C@H]3CC[NH+](CCCO)C3)CC2)C1 ZINC001046064651 733841183 /nfs/dbraw/zinc/84/11/83/733841183.db2.gz QOZCUIRJINDGQO-SJORKVTESA-N 2 0 338.496 -0.071 20 0 EBADRP C[NH+]1CCC(CC(=O)N2CCN([C@H]3CC[N@H+](CCO)C3)CC2)CC1 ZINC001046071103 733845264 /nfs/dbraw/zinc/84/52/64/733845264.db2.gz SKJHAZLBQGYHTM-KRWDZBQOSA-N 2 0 338.496 -0.071 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[NH+](CCN2C(=O)CNC2=O)C1 ZINC001046197724 733875804 /nfs/dbraw/zinc/87/58/04/733875804.db2.gz PCIQMCAFWXFIGU-WBMJQRKESA-N 2 0 337.424 -0.787 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)C1 ZINC001046531946 733956445 /nfs/dbraw/zinc/95/64/45/733956445.db2.gz XSSBBPFQVQSBKE-KGLIPLIRSA-N 2 0 340.468 -0.785 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001046671566 733995022 /nfs/dbraw/zinc/99/50/22/733995022.db2.gz IKIWVSMJLFTWNU-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001046671687 733995626 /nfs/dbraw/zinc/99/56/26/733995626.db2.gz KLNLAFULVATMHD-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001046677568 733999557 /nfs/dbraw/zinc/99/95/57/733999557.db2.gz WBWWKTXDEFXCPM-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC001061829175 738773748 /nfs/dbraw/zinc/77/37/48/738773748.db2.gz LJSQMQRVWFVRCO-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP C[C@]1(C[NH2+][C@H]2CCC(=O)NC2=O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001046906769 734059065 /nfs/dbraw/zinc/05/90/65/734059065.db2.gz QBUSZLRCFPQCCQ-SUMWQHHRSA-N 2 0 336.436 -0.284 20 0 EBADRP O=C(Cc1c[nH]cn1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCN1CCNC1=O)C2 ZINC001047150100 734101181 /nfs/dbraw/zinc/10/11/81/734101181.db2.gz JYSUBCLNPUNVAZ-GUTXKFCHSA-N 2 0 346.435 -0.054 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001061861123 738790583 /nfs/dbraw/zinc/79/05/83/738790583.db2.gz DMLXXVJWJSCNDM-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1C[NH+](CCCO)C[C@@H]1O ZINC001047439851 734195806 /nfs/dbraw/zinc/19/58/06/734195806.db2.gz UMBMBBFUOFVLLD-PMPSAXMXSA-N 2 0 327.469 -0.007 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001061862291 738791388 /nfs/dbraw/zinc/79/13/88/738791388.db2.gz RZYISQNTAAKUFI-AWEZNQCLSA-N 2 0 328.457 -0.378 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H]2C[NH+](CCc3ccnn3C)C[C@@H]2O)C1 ZINC001047528684 734240315 /nfs/dbraw/zinc/24/03/15/734240315.db2.gz XUEDZJIADRFGPM-PVAVHDDUSA-N 2 0 349.479 -0.192 20 0 EBADRP CN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001047559659 734253398 /nfs/dbraw/zinc/25/33/98/734253398.db2.gz ZPTNTHPHAQFAJC-HOTGVXAUSA-N 2 0 335.452 -0.028 20 0 EBADRP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O ZINC001047596341 734274346 /nfs/dbraw/zinc/27/43/46/734274346.db2.gz RKSVYCKDAPGAAA-PVAVHDDUSA-N 2 0 349.479 -0.192 20 0 EBADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@@H]1O ZINC001047626827 734289081 /nfs/dbraw/zinc/28/90/81/734289081.db2.gz HAHWECBWENWGIG-JYJNAYRXSA-N 2 0 348.447 -0.660 20 0 EBADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001048277224 734379212 /nfs/dbraw/zinc/37/92/12/734379212.db2.gz KRLLDLLZVQUYJB-CHWSQXEVSA-N 2 0 335.456 -0.122 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001048873458 734549179 /nfs/dbraw/zinc/54/91/79/734549179.db2.gz GJHJCVUZMPOIQD-GJZGRUSLSA-N 2 0 340.468 -0.546 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001048873441 734549520 /nfs/dbraw/zinc/54/95/20/734549520.db2.gz FXVCVOBYHCMBHH-ILXRZTDVSA-N 2 0 340.468 -0.690 20 0 EBADRP CNC(=O)[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4ccnc4C3)C[C@H]2C1 ZINC001048908367 734564695 /nfs/dbraw/zinc/56/46/95/734564695.db2.gz RAKVWCZEORRULC-ZQDZILKHSA-N 2 0 345.447 -0.030 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)C[C@@H]1O ZINC001048976697 734594068 /nfs/dbraw/zinc/59/40/68/734594068.db2.gz DUZYNJQXBJRWKX-KKUMJFAQSA-N 2 0 340.468 -0.692 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2C1 ZINC001049056865 734629088 /nfs/dbraw/zinc/62/90/88/734629088.db2.gz CARAYBIELNVRHO-OAGGEKHMSA-N 2 0 349.479 -0.114 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@@H]2C1 ZINC001049060039 734631729 /nfs/dbraw/zinc/63/17/29/734631729.db2.gz MBKXCGALCXFZNK-LVQVYYBASA-N 2 0 334.464 -0.193 20 0 EBADRP CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O)[NH+](C)C ZINC001049119429 734653109 /nfs/dbraw/zinc/65/31/09/734653109.db2.gz PVZVDQIOHKGSNL-KKUMJFAQSA-N 2 0 342.484 -0.302 20 0 EBADRP C[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001049136541 734658688 /nfs/dbraw/zinc/65/86/88/734658688.db2.gz WYHXZDIRBJLRPL-MCIONIFRSA-N 2 0 338.452 -0.639 20 0 EBADRP CCC[NH+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+](C)CCC)C1 ZINC001049149819 734663105 /nfs/dbraw/zinc/66/31/05/734663105.db2.gz MTZZJIDPWXHOEA-GJZGRUSLSA-N 2 0 342.484 -0.300 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)C[C@@H]1O ZINC001049149766 734663531 /nfs/dbraw/zinc/66/35/31/734663531.db2.gz KETWOVMQVUBIPE-KKUMJFAQSA-N 2 0 340.468 -0.548 20 0 EBADRP NC(=O)C[N@H+]1C[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]2C1 ZINC001049161519 734669644 /nfs/dbraw/zinc/66/96/44/734669644.db2.gz WYFWFYOWMGFCMP-IYBDPMFKSA-N 2 0 334.464 -0.016 20 0 EBADRP CN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]3C2)C1=O ZINC001049173570 734675726 /nfs/dbraw/zinc/67/57/26/734675726.db2.gz DGYIULMCEGUADS-ZNMIVQPWSA-N 2 0 332.448 -0.297 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@@H]4CCC(=O)NC4=O)C[C@@H]3C2)C1 ZINC001049213868 734687743 /nfs/dbraw/zinc/68/77/43/734687743.db2.gz WTXPVUFYCNHTNM-YIYPIFLZSA-N 2 0 334.420 -0.867 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001049435557 734729495 /nfs/dbraw/zinc/72/94/95/734729495.db2.gz OLKAHPIZUWWKBI-GJZGRUSLSA-N 2 0 342.484 -0.300 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001049560581 734754862 /nfs/dbraw/zinc/75/48/62/734754862.db2.gz VRNASFZEPLEKIP-KKUMJFAQSA-N 2 0 340.468 -0.548 20 0 EBADRP COc1cncc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CCO2)n1 ZINC001051493623 735197181 /nfs/dbraw/zinc/19/71/81/735197181.db2.gz OMLQQDNDWLBFLS-HUUCEWRRSA-N 2 0 349.435 -0.104 20 0 EBADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001054734680 736236273 /nfs/dbraw/zinc/23/62/73/736236273.db2.gz CNKHXIOKAOCIIN-UKRRQHHQSA-N 2 0 337.468 -0.068 20 0 EBADRP CC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001055482907 736351945 /nfs/dbraw/zinc/35/19/45/736351945.db2.gz DGCLGCYUGLSWDQ-HOTGVXAUSA-N 2 0 338.452 -0.434 20 0 EBADRP COCC(=O)NCC[NH+]1CCC(NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001055494996 736356801 /nfs/dbraw/zinc/35/68/01/736356801.db2.gz DVIZWNQTLVZEHL-UHFFFAOYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](CCNC(=O)c3cn[nH]c3)CC2)C1 ZINC001055530339 736370156 /nfs/dbraw/zinc/37/01/56/736370156.db2.gz FWRWBBUUYSMRPF-ZDUSSCGKSA-N 2 0 348.451 -0.328 20 0 EBADRP CO[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055577883 736391344 /nfs/dbraw/zinc/39/13/44/736391344.db2.gz DHIFQTWHYAXPGL-UONOGXRCSA-N 2 0 340.468 -0.330 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCC(NC(=O)c3cn[nH]n3)CC2)C1 ZINC001055578828 736392230 /nfs/dbraw/zinc/39/22/30/736392230.db2.gz WEYSPRJKQPYPNE-LBPRGKRZSA-N 2 0 349.439 -0.933 20 0 EBADRP O=C(C[NH+]1CCCC1)NCC[NH+]1CCC(NC(=O)c2ncc[nH]2)CC1 ZINC001055578687 736392459 /nfs/dbraw/zinc/39/24/59/736392459.db2.gz UKTFOVFFJLYHIK-UHFFFAOYSA-N 2 0 348.451 -0.184 20 0 EBADRP COCC(=O)NC1CC[NH+](CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001055595779 736397379 /nfs/dbraw/zinc/39/73/79/736397379.db2.gz FMKPXUHHSNQYEC-UHFFFAOYSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)c2cncnc2)CC1 ZINC001055633673 736417348 /nfs/dbraw/zinc/41/73/48/736417348.db2.gz YCSRLIRYQLOOBV-UHFFFAOYSA-N 2 0 348.451 -0.261 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CCCO2)CC1 ZINC001055633702 736417557 /nfs/dbraw/zinc/41/75/57/736417557.db2.gz ZOPZINYHTZAYGK-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)c2cocn2)CC1 ZINC001055633216 736417583 /nfs/dbraw/zinc/41/75/83/736417583.db2.gz GBHCAEBZZMBNTM-UHFFFAOYSA-N 2 0 337.424 -0.063 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001055979920 736578977 /nfs/dbraw/zinc/57/89/77/736578977.db2.gz CUIVBMMRULPVQU-QGZVFWFLSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001056104342 736642865 /nfs/dbraw/zinc/64/28/65/736642865.db2.gz CVLKEGMAJOOVGF-YOEHRIQHSA-N 2 0 342.484 -0.252 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[NH+]1C ZINC001057213585 737088293 /nfs/dbraw/zinc/08/82/93/737088293.db2.gz KLEFJOOZILGBIR-AWEZNQCLSA-N 2 0 328.457 -0.642 20 0 EBADRP CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001057632386 737371637 /nfs/dbraw/zinc/37/16/37/737371637.db2.gz NLAZQSKYYGEELD-KGLIPLIRSA-N 2 0 328.457 -0.785 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC001057642657 737383973 /nfs/dbraw/zinc/38/39/73/737383973.db2.gz SMAAABFQVPVAJU-HUUCEWRRSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001057658879 737395952 /nfs/dbraw/zinc/39/59/52/737395952.db2.gz GQHHZYXMUWAKOI-INIZCTEOSA-N 2 0 344.500 -0.149 20 0 EBADRP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001057659251 737396643 /nfs/dbraw/zinc/39/66/43/737396643.db2.gz NELSRVPJDWJQRH-MRXNPFEDSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)CCC[NH+](C)C ZINC001057659718 737397325 /nfs/dbraw/zinc/39/73/25/737397325.db2.gz WKXPNZPFIADCDC-UHFFFAOYSA-N 2 0 330.473 -0.393 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001057864462 737485819 /nfs/dbraw/zinc/48/58/19/737485819.db2.gz TXBAITTVJMSTDK-HNNXBMFYSA-N 2 0 342.484 -0.252 20 0 EBADRP C[NH+](C)C1(C(=O)N(CCO)CCNC(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001057873732 737492941 /nfs/dbraw/zinc/49/29/41/737492941.db2.gz KCAZUMRPRDIDTN-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)C1([NH+](C)C)CCC1 ZINC001057874764 737493805 /nfs/dbraw/zinc/49/38/05/737493805.db2.gz AQEYDIAVPFPVAQ-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)[C@H](C(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001057876087 737494945 /nfs/dbraw/zinc/49/49/45/737494945.db2.gz ATKOOEMTOWBPBQ-INIZCTEOSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H](CC)[NH+](C)C)[NH+](C)C ZINC001057975277 737572646 /nfs/dbraw/zinc/57/26/46/737572646.db2.gz MDKSFFLZSYUHKG-UONOGXRCSA-N 2 0 330.473 -0.396 20 0 EBADRP CC[C@H](C(=O)N(CCO)CCNC(=O)C1(C[NH+](C)C)CC1)[NH+](C)C ZINC001057975438 737572711 /nfs/dbraw/zinc/57/27/11/737572711.db2.gz SDFAUFVSJNTTRN-CQSZACIVSA-N 2 0 342.484 -0.395 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)C2CC[NH+](C)CC2)C1 ZINC001057993898 737581554 /nfs/dbraw/zinc/58/15/54/737581554.db2.gz AYPUMVYKHOBKFS-OAHLLOKOSA-N 2 0 340.468 -0.783 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001058039108 737601773 /nfs/dbraw/zinc/60/17/73/737601773.db2.gz QHJQJOKGHXNDBP-GJZGRUSLSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001058170128 737691923 /nfs/dbraw/zinc/69/19/23/737691923.db2.gz ZHJUQDYAHLBJRG-KGLIPLIRSA-N 2 0 328.457 -0.785 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)C[NH+](CC)CC ZINC001058253887 737736147 /nfs/dbraw/zinc/73/61/47/737736147.db2.gz MCCRXHMWBUCJBC-UHFFFAOYSA-N 2 0 330.473 -0.393 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)C1CC[NH+](C)CC1 ZINC001058253912 737736216 /nfs/dbraw/zinc/73/62/16/737736216.db2.gz NIWBFGRTAUPNNW-UHFFFAOYSA-N 2 0 342.484 -0.393 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC001058255561 737737972 /nfs/dbraw/zinc/73/79/72/737737972.db2.gz UVYUXJYPCNTTJG-LSDHHAIUSA-N 2 0 342.484 -0.537 20 0 EBADRP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001058707782 737959426 /nfs/dbraw/zinc/95/94/26/737959426.db2.gz NXQAYVNOFVBTOX-CQSZACIVSA-N 2 0 328.457 -0.783 20 0 EBADRP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)C1CC[NH+](C)CC1 ZINC001058709167 737960474 /nfs/dbraw/zinc/96/04/74/737960474.db2.gz JYBHZWRRNNKRPA-UHFFFAOYSA-N 2 0 328.457 -0.783 20 0 EBADRP CC1CC[NH+](CC(=O)NCCN(CCO)C(=O)CC[NH+](C)C)CC1 ZINC001058710654 737961546 /nfs/dbraw/zinc/96/15/46/737961546.db2.gz JJVNMZHQORKTSM-UHFFFAOYSA-N 2 0 342.484 -0.393 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)CCO1 ZINC001065168733 739573261 /nfs/dbraw/zinc/57/32/61/739573261.db2.gz FCRIXEBVDORWDF-CABCVRRESA-N 2 0 340.468 -0.378 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001065169063 739573649 /nfs/dbraw/zinc/57/36/49/739573649.db2.gz HCZQVXMFFPDOOZ-UONOGXRCSA-N 2 0 326.441 -0.767 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001065373469 739679833 /nfs/dbraw/zinc/67/98/33/739679833.db2.gz FELXYSCFDRFJAV-CQSZACIVSA-N 2 0 338.452 -0.623 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001065409643 739694001 /nfs/dbraw/zinc/69/40/01/739694001.db2.gz MJLLXTRQQXKPCS-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065574594 739771217 /nfs/dbraw/zinc/77/12/17/739771217.db2.gz KHGWEPOPKNTGRA-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001065575016 739771648 /nfs/dbraw/zinc/77/16/48/739771648.db2.gz RJHWLCKWMKKYPX-HNNXBMFYSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC2(C1)CN(C(=O)CC[NH+](C)C)CCO2 ZINC001068456459 740331658 /nfs/dbraw/zinc/33/16/58/740331658.db2.gz QBDKOEIWPQIWFZ-UHFFFAOYSA-N 2 0 340.468 -0.280 20 0 EBADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001070209036 740749592 /nfs/dbraw/zinc/74/95/92/740749592.db2.gz JRMFTOSKBCSFSW-CFVMTHIKSA-N 2 0 336.440 -0.515 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070553766 740861028 /nfs/dbraw/zinc/86/10/28/740861028.db2.gz FIFUGQPUOXXERJ-VNHYZAJKSA-N 2 0 348.451 -0.869 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]CCO)c1 ZINC001070554334 740861193 /nfs/dbraw/zinc/86/11/93/740861193.db2.gz RSUQHEDDOBIUHR-OFQRWUPVSA-N 2 0 335.452 -0.362 20 0 EBADRP CC(C)[C@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1)[NH+](C)C ZINC001070687959 740919929 /nfs/dbraw/zinc/91/99/29/740919929.db2.gz GYLLGBPFGJQSOT-IIAWOOMASA-N 2 0 337.468 -0.117 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001071016242 741039801 /nfs/dbraw/zinc/03/98/01/741039801.db2.gz JQGDAYGGDMUJEX-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@H]1CCC(=O)NC1=O)C2 ZINC001072553671 741428799 /nfs/dbraw/zinc/42/87/99/741428799.db2.gz GWBCHYMNWYGBDK-STQMWFEESA-N 2 0 334.420 -0.580 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC3(C2)CC[NH+]([C@H]2CCC(=O)NC2=O)C3)C1 ZINC001073127120 741565801 /nfs/dbraw/zinc/56/58/01/741565801.db2.gz AHAGHJDUMKKPHB-KGLIPLIRSA-N 2 0 348.447 -0.332 20 0 EBADRP O=C(N1CC2(C1)CC[N@H+](CCn1cncn1)C2)C12CC[NH+](CC1)C2 ZINC001073129254 741566687 /nfs/dbraw/zinc/56/66/87/741566687.db2.gz OHGQOFSFHHUVCY-UHFFFAOYSA-N 2 0 330.436 -0.092 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[NH+](C[C@@H](O)Cn2cccn2)C3)C1 ZINC001073429732 741612511 /nfs/dbraw/zinc/61/25/11/741612511.db2.gz RGTSQRIUPYSDCQ-HZPDHXFCSA-N 2 0 347.463 -0.270 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCn2cncn2)CCCO1 ZINC001073555282 741651050 /nfs/dbraw/zinc/65/10/50/741651050.db2.gz ZEXZPDKRESATIR-LSDHHAIUSA-N 2 0 336.440 -0.421 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+](CCO)CCCO2)C1 ZINC001073740105 741728858 /nfs/dbraw/zinc/72/88/58/741728858.db2.gz BPHNWKXPFIDURQ-LSDHHAIUSA-N 2 0 329.441 -0.705 20 0 EBADRP C[NH+](C)CCCC(=O)NCC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001074713407 742083554 /nfs/dbraw/zinc/08/35/54/742083554.db2.gz UNBQMCZNUIAAOT-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001074713274 742083675 /nfs/dbraw/zinc/08/36/75/742083675.db2.gz PHBDCGHEUSYTCD-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[C@H]1[C@@H]([NH2+][C@H]2CCNC2=O)CCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001074959520 742146727 /nfs/dbraw/zinc/14/67/27/742146727.db2.gz QZSJWDZBILJIQT-QEJZJMRPSA-N 2 0 348.451 -0.474 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001075042199 742166366 /nfs/dbraw/zinc/16/63/66/742166366.db2.gz BFWBTARJXHHPGX-ZNMIVQPWSA-N 2 0 337.468 -0.068 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001075108918 742181332 /nfs/dbraw/zinc/18/13/32/742181332.db2.gz YATFZXWKKCHLHN-MJBXVCDLSA-N 2 0 336.436 -0.334 20 0 EBADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C[NH2+]Cc1nnnn1C ZINC001075364350 742217862 /nfs/dbraw/zinc/21/78/62/742217862.db2.gz ICTVFQPNHUUJAP-UONOGXRCSA-N 2 0 335.456 -0.120 20 0 EBADRP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)COCC[NH+](C)C ZINC001075941350 742336438 /nfs/dbraw/zinc/33/64/38/742336438.db2.gz RTUITWFNSFHAMV-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001076568072 742498397 /nfs/dbraw/zinc/49/83/97/742498397.db2.gz SNNJRYLOWIBWBY-RRFJBIMHSA-N 2 0 335.452 -0.504 20 0 EBADRP O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001077129078 742746056 /nfs/dbraw/zinc/74/60/56/742746056.db2.gz SEBCCUITIINPFV-OWCLPIDISA-N 2 0 341.452 -0.827 20 0 EBADRP Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001078498319 743680093 /nfs/dbraw/zinc/68/00/93/743680093.db2.gz LSDXHHRNAYMEHP-OAHLLOKOSA-N 2 0 348.451 -0.382 20 0 EBADRP C[C@@H]1C[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)CN1C(=O)C[NH+]1CCCC1 ZINC000980802536 806022975 /nfs/dbraw/zinc/02/29/75/806022975.db2.gz ZNCDJAHFOOQKNL-CHWSQXEVSA-N 2 0 336.440 -0.469 20 0 EBADRP Cn1[nH]c(C[NH2+][C@@H]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)nc1=O ZINC000981461747 806176280 /nfs/dbraw/zinc/17/62/80/806176280.db2.gz KTUDKHZJXSSOQU-CHWSQXEVSA-N 2 0 348.451 -0.279 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC3(C2)CCC[N@H+](CCO)C3)n1 ZINC000981774692 806273958 /nfs/dbraw/zinc/27/39/58/806273958.db2.gz GGNZVKLSHMBWMP-UHFFFAOYSA-N 2 0 335.452 -0.025 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000982783268 806701211 /nfs/dbraw/zinc/70/12/11/806701211.db2.gz ROGUXVCGQMBBCU-GJZGRUSLSA-N 2 0 334.464 -0.001 20 0 EBADRP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000976864407 803916408 /nfs/dbraw/zinc/91/64/08/803916408.db2.gz JXZLIQUFCGAFLQ-KDEOKCCVSA-N 2 0 334.464 -0.005 20 0 EBADRP CC[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2)[NH+](C)C ZINC000976868964 803923004 /nfs/dbraw/zinc/92/30/04/803923004.db2.gz KQFMYMOFDWKSRW-BARDWOONSA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000976868952 803923060 /nfs/dbraw/zinc/92/30/60/803923060.db2.gz KLCZXGQMMMUPAL-SUJAAXHWSA-N 2 0 346.475 -0.147 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]32)C1 ZINC000977207839 804224777 /nfs/dbraw/zinc/22/47/77/804224777.db2.gz KOTYIWHCAXVOHN-BSXFFOKHSA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1)N1CCC1 ZINC000978148418 804692992 /nfs/dbraw/zinc/69/29/92/804692992.db2.gz SURYSSUNFGXHQQ-LUKYLMHMSA-N 2 0 346.475 -0.146 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC000978634602 804895850 /nfs/dbraw/zinc/89/58/50/804895850.db2.gz HDPVKMDNYJXMGS-LVQVYYBASA-N 2 0 325.453 -0.228 20 0 EBADRP COCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC000978827897 804995226 /nfs/dbraw/zinc/99/52/26/804995226.db2.gz KHGBQCPITBMUDJ-PHZGNYQRSA-N 2 0 335.452 -0.001 20 0 EBADRP CN(C(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1)C1CC1 ZINC000979073401 805120872 /nfs/dbraw/zinc/12/08/72/805120872.db2.gz QOPUMDLTDBRQJZ-QCEMKRCNSA-N 2 0 334.464 -0.147 20 0 EBADRP C[C@H]([NH2+]Cc1cnnn1C)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC000979450274 805386383 /nfs/dbraw/zinc/38/63/83/805386383.db2.gz NJECCPFCJBYKFV-DZGCQCFKSA-N 2 0 348.451 -0.384 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)nc1=O ZINC000983691872 807082874 /nfs/dbraw/zinc/08/28/74/807082874.db2.gz MTFSNVHREUHIPV-UBHSHLNASA-N 2 0 348.451 -0.565 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC000983705466 807085931 /nfs/dbraw/zinc/08/59/31/807085931.db2.gz VGJRQTGBYCQVHL-FDYHWXHSSA-N 2 0 336.440 -0.567 20 0 EBADRP Cc1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)[nH]1 ZINC000983717195 807088519 /nfs/dbraw/zinc/08/85/19/807088519.db2.gz YXVAUKBNADLKJU-TUVASFSCSA-N 2 0 348.451 -0.039 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC000984047176 807155164 /nfs/dbraw/zinc/15/51/64/807155164.db2.gz IBXBZGKHJMLDSE-AAVRWANBSA-N 2 0 336.436 -0.240 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC000984805499 807390818 /nfs/dbraw/zinc/39/08/18/807390818.db2.gz SXZVIYNUUKBXKD-XDQVBPFNSA-N 2 0 336.436 -0.240 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC000985035090 807430572 /nfs/dbraw/zinc/43/05/72/807430572.db2.gz RLBHYNLSWZIUAD-XDQVBPFNSA-N 2 0 336.436 -0.382 20 0 EBADRP C[C@@H](C(N)=O)[N@H+](C)C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000985722328 807570024 /nfs/dbraw/zinc/57/00/24/807570024.db2.gz YDUWMZSUUQNPBS-ZDUSSCGKSA-N 2 0 340.468 -0.106 20 0 EBADRP C[C@@H]1C[C@@H]([NH2+]CCN2CCNC2=O)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989390980 808463717 /nfs/dbraw/zinc/46/37/17/808463717.db2.gz PVMBAFJOSBTBRV-UKRRQHHQSA-N 2 0 337.468 -0.068 20 0 EBADRP C[C@@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989684792 808556359 /nfs/dbraw/zinc/55/63/59/808556359.db2.gz XCUDALFXFWPMHI-OLZOCXBDSA-N 2 0 349.435 -0.787 20 0 EBADRP C[C@@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)CN1C(=O)C[NH+]1CCCC1 ZINC000989796085 808597081 /nfs/dbraw/zinc/59/70/81/808597081.db2.gz HEWOFWIREBITAZ-ZIAGYGMSSA-N 2 0 336.436 -0.190 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC000991481664 809543176 /nfs/dbraw/zinc/54/31/76/809543176.db2.gz IZXCIOHYNUHFCB-LSDHHAIUSA-N 2 0 338.452 -0.744 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC001002458609 809718290 /nfs/dbraw/zinc/71/82/90/809718290.db2.gz DRDGTYALPMQTIE-HZPDHXFCSA-N 2 0 335.452 -0.081 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001214997458 810298547 /nfs/dbraw/zinc/29/85/47/810298547.db2.gz IFIZEMMCFFQBKR-FRRDWIJNSA-N 2 0 338.452 -0.042 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184947 810312402 /nfs/dbraw/zinc/31/24/02/810312402.db2.gz VHUTYOPHHUHIPT-LZLPTKFFSA-N 2 0 336.436 -0.968 20 0 EBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001215423894 810327103 /nfs/dbraw/zinc/32/71/03/810327103.db2.gz WISQHINLOQOOIL-ZIAGYGMSSA-N 2 0 338.452 -0.086 20 0 EBADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001215415678 810327755 /nfs/dbraw/zinc/32/77/55/810327755.db2.gz GYHGTXLXKWZOGZ-FRRDWIJNSA-N 2 0 336.436 -0.430 20 0 EBADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215413372 810327816 /nfs/dbraw/zinc/32/78/16/810327816.db2.gz DFPDVYDDNOCDST-CHWSQXEVSA-N 2 0 346.497 -0.686 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215456461 810329549 /nfs/dbraw/zinc/32/95/49/810329549.db2.gz VQPKJNQAJSHYPU-ZIAGYGMSSA-N 2 0 328.457 -0.473 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453709 810329618 /nfs/dbraw/zinc/32/96/18/810329618.db2.gz OMIGVBZDFFBGSU-DGCLKSJQSA-N 2 0 339.440 -0.780 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215459025 810331252 /nfs/dbraw/zinc/33/12/52/810331252.db2.gz UPLAROMLMDYOLL-IJLUTSLNSA-N 2 0 327.429 -0.781 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+](CC)CC ZINC001215516825 810332964 /nfs/dbraw/zinc/33/29/64/810332964.db2.gz WQNCTDLXBRFOHL-UPJWGTAASA-N 2 0 341.456 -0.262 20 0 EBADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215563726 810336284 /nfs/dbraw/zinc/33/62/84/810336284.db2.gz MUBLONRUYWWAJR-VXGBXAGGSA-N 2 0 341.456 -0.404 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001216001996 810355109 /nfs/dbraw/zinc/35/51/09/810355109.db2.gz NSLILPJANSCAEP-FRRDWIJNSA-N 2 0 341.456 -0.391 20 0 EBADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001216090163 810358468 /nfs/dbraw/zinc/35/84/68/810358468.db2.gz AYYWXNCDYPLQTF-IIAWOOMASA-N 2 0 343.468 -0.459 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001216229403 810364580 /nfs/dbraw/zinc/36/45/80/810364580.db2.gz IQZYHMZYSFQIEN-GRYCIOLGSA-N 2 0 327.429 -0.652 20 0 EBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001216459675 810374722 /nfs/dbraw/zinc/37/47/22/810374722.db2.gz ZHPDFHLOWPLMDY-FRRDWIJNSA-N 2 0 341.456 -0.262 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001216851660 810396298 /nfs/dbraw/zinc/39/62/98/810396298.db2.gz FNYQCVLTRBXFCH-ZIAGYGMSSA-N 2 0 325.457 -0.212 20 0 EBADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1[C@@H]2CC[C@H]1[NH2+]C2 ZINC001218442316 810493195 /nfs/dbraw/zinc/49/31/95/810493195.db2.gz OXIAPOXHSHOHDQ-FXPVBKGRSA-N 2 0 336.392 -0.110 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1n[nH]cc1Br ZINC001218509657 810495239 /nfs/dbraw/zinc/49/52/39/810495239.db2.gz WYQJIRBLAGTWKY-SECBINFHSA-N 2 0 331.218 -0.139 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1nnc(Br)s1 ZINC001218511900 810496838 /nfs/dbraw/zinc/49/68/38/810496838.db2.gz ZKOSVSXABUPYQS-ZETCQYMHSA-N 2 0 349.258 -0.011 20 0 EBADRP COc1nc(Cl)cc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)n1 ZINC001218519494 810498273 /nfs/dbraw/zinc/49/82/73/810498273.db2.gz WYPPICAFRSDYPZ-SECBINFHSA-N 2 0 328.804 -0.173 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C1 ZINC001218550777 810501680 /nfs/dbraw/zinc/50/16/80/810501680.db2.gz NJQVCNLOFDIUGK-SOUVJXGZSA-N 2 0 341.452 -0.753 20 0 EBADRP CN1CCN(c2ncc(NC(=O)[C@H]([NH3+])C3CC[NH2+]CC3)cn2)CC1 ZINC001218579343 810506910 /nfs/dbraw/zinc/50/69/10/810506910.db2.gz CGPVKCCPFQAXSD-CQSZACIVSA-N 2 0 333.440 -0.506 20 0 EBADRP CN1CCN(c2ncc(NC(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)cn2)CC1 ZINC001218580681 810507164 /nfs/dbraw/zinc/50/71/64/810507164.db2.gz VQZBUJAZWLGIRG-CXAGYDPISA-N 2 0 345.451 -0.634 20 0 EBADRP CN1CCN(c2ncc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])cn2)CC1 ZINC001218579260 810507279 /nfs/dbraw/zinc/50/72/79/810507279.db2.gz BCEPUSZKGOOKCL-LBPRGKRZSA-N 2 0 339.469 -0.814 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1nc(Cl)nc2[nH]cnc21 ZINC001218589816 810508457 /nfs/dbraw/zinc/50/84/57/810508457.db2.gz WHXDBPQVSLTJDW-MRVPVSSYSA-N 2 0 338.803 -0.305 20 0 EBADRP CC[C@@H](C(=O)N1CCO[C@@H]2CN(CCOCCO)C[C@@H]21)[NH+](C)C ZINC001218646636 810514853 /nfs/dbraw/zinc/51/48/53/810514853.db2.gz WWGRQEHQTPMNNK-SOUVJXGZSA-N 2 0 329.441 -0.753 20 0 EBADRP [NH3+]Cc1cncc(NC(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)c1 ZINC001218704124 810522834 /nfs/dbraw/zinc/52/28/34/810522834.db2.gz KYPNEHIJCHSNBM-LBPRGKRZSA-N 2 0 328.380 -0.584 20 0 EBADRP CCOC(=O)c1nc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cn1C ZINC001218709991 810523167 /nfs/dbraw/zinc/52/31/67/810523167.db2.gz NHJANRAQEGHURE-LLVKDONJSA-N 2 0 338.412 -0.714 20 0 EBADRP Nc1cnc(N(CC(F)(F)F)C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)nc1 ZINC001218740956 810524963 /nfs/dbraw/zinc/52/49/63/810524963.db2.gz QRTLAEUKWSHEHJ-SECBINFHSA-N 2 0 330.314 -0.237 20 0 EBADRP COc1nc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c(C)c(OC)n1 ZINC001218768269 810529206 /nfs/dbraw/zinc/52/92/06/810529206.db2.gz JHGWCXOPMGPGGI-LLVKDONJSA-N 2 0 338.412 -0.509 20 0 EBADRP Cc1ccc2c(c1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)CNC2=O ZINC001218819021 810534267 /nfs/dbraw/zinc/53/42/67/810534267.db2.gz HBPZEVLXJQJJLU-AWEZNQCLSA-N 2 0 331.420 -0.073 20 0 EBADRP N[C@@]1(C(=O)Nc2ccccc2C(=O)N2CC[NH2+]CC2)CCC[NH2+]C1 ZINC001218881985 810539823 /nfs/dbraw/zinc/53/98/23/810539823.db2.gz JKVHIQUOHFPORN-KRWDZBQOSA-N 2 0 331.420 -0.249 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C2)CC1 ZINC001015655551 810555303 /nfs/dbraw/zinc/55/53/03/810555303.db2.gz SCXQHSQUVMDTEA-HZPDHXFCSA-N 2 0 335.452 -0.224 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C2)CC1 ZINC001015655550 810555375 /nfs/dbraw/zinc/55/53/75/810555375.db2.gz SCXQHSQUVMDTEA-HOTGVXAUSA-N 2 0 335.452 -0.224 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@H]1C[NH2+]CCO1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219501103 810724258 /nfs/dbraw/zinc/72/42/58/810724258.db2.gz PEKXKVKIPRZTLM-PBHICJAKSA-N 2 0 346.387 -0.195 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2 ZINC001219542996 810743530 /nfs/dbraw/zinc/74/35/30/810743530.db2.gz ZTOXUOCACXWLHP-HEHGZKQESA-N 3 0 345.447 -0.177 20 0 EBADRP Cc1cccn2c(CNC(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)nnc12 ZINC001219599518 810765029 /nfs/dbraw/zinc/76/50/29/810765029.db2.gz BRKBARBFMOKNEV-CYBMUJFWSA-N 2 0 331.424 -0.596 20 0 EBADRP Cc1cccn2c(CNC(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)nnc12 ZINC001219599521 810765661 /nfs/dbraw/zinc/76/56/61/810765661.db2.gz BRKBARBFMOKNEV-ZDUSSCGKSA-N 2 0 331.424 -0.596 20 0 EBADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219610051 810769629 /nfs/dbraw/zinc/76/96/29/810769629.db2.gz KCKZOABKYLCKKN-NOZJJQNGSA-N 2 0 334.342 -0.487 20 0 EBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1cccnc1O[C@@H]1CC[NH2+]C1 ZINC001219626149 810777675 /nfs/dbraw/zinc/77/76/75/810777675.db2.gz ODTYWBPLRVTRDM-PVXIVEMSSA-N 2 0 338.383 -0.385 20 0 EBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1 ZINC001219637276 810781622 /nfs/dbraw/zinc/78/16/22/810781622.db2.gz BHWCQNYKJDLSJQ-COPLHBTASA-N 2 0 348.382 -0.180 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]([NH3+])CCCNC(=O)c2cnccn2)C1 ZINC001219640973 810783121 /nfs/dbraw/zinc/78/31/21/810783121.db2.gz DNZYQACDARVQIW-MJBXVCDLSA-N 2 0 348.451 -0.324 20 0 EBADRP O=C(NCc1ccc2c(c1)CC[NH2+]C2)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219703871 810802944 /nfs/dbraw/zinc/80/29/44/810802944.db2.gz RVSZKVWQOBGWPY-HNNXBMFYSA-N 2 0 349.456 -0.275 20 0 EBADRP Cc1ccc([C@@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2O)N2CCC[NH2+]CC2)cc1 ZINC001219714683 810804667 /nfs/dbraw/zinc/80/46/67/810804667.db2.gz TXFXRBVZFDPDOS-ZACQAIPSSA-N 2 0 332.448 -0.220 20 0 EBADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1 ZINC001219713974 810805011 /nfs/dbraw/zinc/80/50/11/810805011.db2.gz BSKWFUVOWWNEBR-BRWVUGGUSA-N 2 0 343.431 -0.437 20 0 EBADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219721038 810807317 /nfs/dbraw/zinc/80/73/17/810807317.db2.gz YFZZWGNBZNHYGL-XHNCKOQMSA-N 2 0 326.319 -0.995 20 0 EBADRP [NH3+][C@H]1COC[C@H]1NC(=O)c1ccc(C(=O)N2CCC([NH3+])CC2)cc1 ZINC001219721032 810807514 /nfs/dbraw/zinc/80/75/14/810807514.db2.gz YADRFLMDVAVWPU-LSDHHAIUSA-N 2 0 332.404 -0.294 20 0 EBADRP [NH3+]C[C@H](O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726147 810809929 /nfs/dbraw/zinc/80/99/29/810809929.db2.gz ILBOYDPXTRDLFA-SJORKVTESA-N 3 0 346.475 -0.076 20 0 EBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743794 810819830 /nfs/dbraw/zinc/81/98/30/810819830.db2.gz MESNZDHQJAHBEH-MJBXVCDLSA-N 2 0 338.452 -0.258 20 0 EBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001219748999 810823874 /nfs/dbraw/zinc/82/38/74/810823874.db2.gz GUWRUWOSPRHQBQ-DYVFJYSZSA-N 2 0 348.451 -0.064 20 0 EBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1C[NH2+]CC12CCOCC2 ZINC001219750043 810824040 /nfs/dbraw/zinc/82/40/40/810824040.db2.gz VPIALMJFUYICDQ-LBPRGKRZSA-N 2 0 334.424 -0.596 20 0 EBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)c1cnc2n1CC[NH2+]CC2 ZINC001219750363 810824463 /nfs/dbraw/zinc/82/44/63/810824463.db2.gz AEHQSIDMOVSJBE-UHFFFAOYSA-N 2 0 330.396 -0.956 20 0 EBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)c1nc2c(s1)C[NH2+]CC2 ZINC001219751487 810825151 /nfs/dbraw/zinc/82/51/51/810825151.db2.gz TZESKGIDIPRYJM-UHFFFAOYSA-N 2 0 333.421 -0.196 20 0 EBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)c1cncc2c1CC[NH2+]C2 ZINC001219750706 810825383 /nfs/dbraw/zinc/82/53/83/810825383.db2.gz GJRMWAXPFKAANA-UHFFFAOYSA-N 2 0 327.392 -0.258 20 0 EBADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)C1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001219766500 810831869 /nfs/dbraw/zinc/83/18/69/810831869.db2.gz UVFVSWGFOHRBEF-PVAVHDDUSA-N 2 0 335.496 -0.530 20 0 EBADRP COc1ccc([C@@H]([NH3+])CC(=O)NC[C@H]2C[C@H]3CNCC[N@@H+]3C2)cn1 ZINC001219764709 810831899 /nfs/dbraw/zinc/83/18/99/810831899.db2.gz KNFYZJDLTLEFMI-SNPRPXQTSA-N 2 0 333.436 -0.110 20 0 EBADRP O=C(NC[C@]1(F)CCC[NH2+]C1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219767923 810832788 /nfs/dbraw/zinc/83/27/88/810832788.db2.gz HZBWQWBMDXYZRL-WFASDCNBSA-N 2 0 347.456 -0.391 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219768223 810833587 /nfs/dbraw/zinc/83/35/87/810833587.db2.gz LHPIBBXUAAKMEM-YOEHRIQHSA-N 2 0 336.411 -0.120 20 0 EBADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219770718 810835179 /nfs/dbraw/zinc/83/51/79/810835179.db2.gz DCCBMFNYUKXMRD-YOEHRIQHSA-N 2 0 336.411 -0.120 20 0 EBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001219788980 810841624 /nfs/dbraw/zinc/84/16/24/810841624.db2.gz ULYFVTOXRZKMAG-RGDDPNHNSA-N 2 0 326.466 -0.190 20 0 EBADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@@H]1C[NH2+]C[C@@H]2CCO[C@H]21 ZINC001219796205 810845526 /nfs/dbraw/zinc/84/55/26/810845526.db2.gz QWOSEIXQANNOIO-IAOVAPTHSA-N 3 0 336.480 -0.057 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219800440 810848236 /nfs/dbraw/zinc/84/82/36/810848236.db2.gz JYDLXVAAWIVOJE-IHRRRGAJSA-N 2 0 340.468 -0.251 20 0 EBADRP O=C(C[C@@H]1C[NH2+]CC1(F)F)NCc1cc(=O)n2c(n1)CNCCC2 ZINC001219808195 810854437 /nfs/dbraw/zinc/85/44/37/810854437.db2.gz XAWUFWANEGGUDO-SNVBAGLBSA-N 2 0 341.362 -0.402 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219818810 810859318 /nfs/dbraw/zinc/85/93/18/810859318.db2.gz OOXCUGYHYAJYJV-BBWFWOEESA-N 3 0 331.464 -0.044 20 0 EBADRP [NH3+]C1(C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)CCC2(CC1)OCCO2 ZINC001219831413 810866050 /nfs/dbraw/zinc/86/60/50/810866050.db2.gz JWOBRRNKKBTRFN-UPJWGTAASA-N 2 0 325.409 -0.506 20 0 EBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1C[NH2+]Cc2ccnn2C1 ZINC001219833857 810868298 /nfs/dbraw/zinc/86/82/98/810868298.db2.gz LABGZAVGAOBQSP-KEYYUXOJSA-N 2 0 349.435 -0.886 20 0 EBADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1CC[C@H]2[NH2+]CC[C@H]2O1 ZINC001219833682 810868729 /nfs/dbraw/zinc/86/87/29/810868729.db2.gz GNNOHQWWTGAGNB-DRXUAVOGSA-N 2 0 339.436 -0.593 20 0 EBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1 ZINC001219833192 810868826 /nfs/dbraw/zinc/86/88/26/810868826.db2.gz ADNMIJBNJIECCN-HNLJFRNMSA-N 2 0 339.436 -0.735 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219834899 810870015 /nfs/dbraw/zinc/87/00/15/810870015.db2.gz UFNWYIUHXOKGIA-YCPHGPKFSA-N 3 0 328.457 -0.785 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219836693 810870597 /nfs/dbraw/zinc/87/05/97/810870597.db2.gz CLLGYRWTSOFKAC-HEHGZKQESA-N 2 0 329.441 -0.360 20 0 EBADRP NC(=[NH2+])NCCCCC(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837287 810870989 /nfs/dbraw/zinc/87/09/89/810870989.db2.gz IVYDCBIQAVLJBZ-WFASDCNBSA-N 2 0 327.429 -0.849 20 0 EBADRP [NH3+][C@H](C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)C1CCC(O)CC1 ZINC001219839148 810871810 /nfs/dbraw/zinc/87/18/10/810871810.db2.gz XUQYOZJZTYGRJS-IASGZQPQSA-N 2 0 341.452 -0.624 20 0 EBADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1ncn2c1C[NH2+]CC2 ZINC001219844694 810875637 /nfs/dbraw/zinc/87/56/37/810875637.db2.gz PXPDREYIUZHHBU-BLLLJJGKSA-N 2 0 335.408 -0.889 20 0 EBADRP Cn1nc2c(c1C(=O)NC[C@@H]1CO[C@]3(C1)C[NH2+]CCOC3)CNC2 ZINC001219848335 810877626 /nfs/dbraw/zinc/87/76/26/810877626.db2.gz XHYZYWGBXKOWIY-BDJLRTHQSA-N 2 0 335.408 -0.852 20 0 EBADRP Cn1nc2c(c1C(=O)NC[C@H]1CO[C@]3(C1)C[NH2+]CCOC3)CNC2 ZINC001219848337 810877952 /nfs/dbraw/zinc/87/79/52/810877952.db2.gz XHYZYWGBXKOWIY-MEDUHNTESA-N 2 0 335.408 -0.852 20 0 EBADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001219856159 810880752 /nfs/dbraw/zinc/88/07/52/810880752.db2.gz AIFVQPNSTTWZQE-YRHQEJDOSA-N 2 0 342.443 -0.185 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001219877609 810892313 /nfs/dbraw/zinc/89/23/13/810892313.db2.gz NJOTWCKBNRXRQF-CABCVRRESA-N 2 0 325.453 -0.084 20 0 EBADRP O=C(CNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)N1CCc2ccccc21 ZINC001219978583 810934474 /nfs/dbraw/zinc/93/44/74/810934474.db2.gz PAXZJBGYKRIUEP-RDTXWAMCSA-N 2 0 328.416 -0.109 20 0 EBADRP COC(=O)C1(NC(=O)C[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)CC[NH2+]CC1 ZINC001219999226 810940393 /nfs/dbraw/zinc/94/03/93/810940393.db2.gz NOIIBBXPFZTETB-CZUORRHYSA-N 2 0 339.436 -0.053 20 0 EBADRP COC(=O)C1(NC(=O)C2CCN([C@H]3CC[NH2+]C3)CC2)CC[NH2+]CC1 ZINC001220001530 810941305 /nfs/dbraw/zinc/94/13/05/810941305.db2.gz RRNBGPZUGOKRMZ-AWEZNQCLSA-N 2 0 338.452 -0.528 20 0 EBADRP COC(=O)C1(NC(=O)[C@H]2CCCN([C@@H]3CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001220001271 810941898 /nfs/dbraw/zinc/94/18/98/810941898.db2.gz OILOTUOBIXUJFF-UONOGXRCSA-N 2 0 338.452 -0.528 20 0 EBADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+] ZINC001220043633 810959103 /nfs/dbraw/zinc/95/91/03/810959103.db2.gz ZVNMZKDTRRBGOG-AWEZNQCLSA-N 2 0 342.403 -0.544 20 0 EBADRP C[NH2+]CCNC(=O)[C@H](CCSC)NC(=O)[C@@H]([NH3+])CCSC ZINC001220055790 810963308 /nfs/dbraw/zinc/96/33/08/810963308.db2.gz DAYYKXJEATZPHG-QWRGUYRKSA-N 2 0 336.527 -0.360 20 0 EBADRP COC(=O)[C@H](CCSC)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220079460 810973211 /nfs/dbraw/zinc/97/32/11/810973211.db2.gz MEIHJOCLCQPWRY-RYUDHWBXSA-N 2 0 332.470 -0.852 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)[C@H](C)OC1 ZINC001220139484 810998325 /nfs/dbraw/zinc/99/83/25/810998325.db2.gz SNKRITRDXKAFGP-GXFFZTMASA-N 2 0 340.424 -0.911 20 0 EBADRP CSCC[C@@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C(C)(C)O ZINC001220145407 811001120 /nfs/dbraw/zinc/00/11/20/811001120.db2.gz BCEHOMRJGRWPSR-CHWSQXEVSA-N 2 0 332.514 -0.254 20 0 EBADRP CCOC(=O)CC1(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)COC1 ZINC001220214986 811017518 /nfs/dbraw/zinc/01/75/18/811017518.db2.gz IILWLUASEIXVJH-LBPRGKRZSA-N 2 0 325.409 -0.301 20 0 EBADRP COC(=O)[C@@]1(NC(=O)[C@@H]([NH3+])CCC[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC001220226568 811024532 /nfs/dbraw/zinc/02/45/32/811024532.db2.gz VIZYMGNAUDJXNA-MAUKXSAKSA-N 3 0 348.447 -0.014 20 0 EBADRP COC(=O)[C@]1(NC(=O)[C@@H](N)CC[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC001220228233 811026063 /nfs/dbraw/zinc/02/60/63/811026063.db2.gz FSFLCKIPAZUNSL-YOEHRIQHSA-N 2 0 334.420 -0.404 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@@H]2O)CC1 ZINC001220229041 811026642 /nfs/dbraw/zinc/02/66/42/811026642.db2.gz JZDDCUGHTOVJDO-KFWWJZLASA-N 2 0 325.453 -0.084 20 0 EBADRP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)cn1 ZINC001220230383 811027364 /nfs/dbraw/zinc/02/73/64/811027364.db2.gz CEFMXUCXSOOIIP-CVEARBPZSA-N 2 0 349.479 -0.051 20 0 EBADRP O=C(NCc1cccc(-c2nn[nH]n2)c1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220269297 811040504 /nfs/dbraw/zinc/04/05/04/811040504.db2.gz ZFJIOUMEFZALLJ-CZUORRHYSA-N 2 0 327.392 -0.318 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001220276574 811043921 /nfs/dbraw/zinc/04/39/21/811043921.db2.gz FPULIJSAYJVCRO-ZNMIVQPWSA-N 2 0 329.441 -0.705 20 0 EBADRP COC(=O)c1n[nH]cc1NC(=O)[C@@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001220373099 811077292 /nfs/dbraw/zinc/07/72/92/811077292.db2.gz ABZIPLNAKCMATE-NSHDSACASA-N 2 0 337.380 -0.412 20 0 EBADRP [NH3+]Cc1ccc2c(n1)N(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)CCC2 ZINC001220377360 811079790 /nfs/dbraw/zinc/07/97/90/811079790.db2.gz UATZGCGJCANDHP-HNNXBMFYSA-N 3 0 332.452 -0.430 20 0 EBADRP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387089 811085372 /nfs/dbraw/zinc/08/53/72/811085372.db2.gz BFNHOUZXQBTIGC-ZNMIVQPWSA-N 2 0 329.441 -0.969 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001220429499 811103900 /nfs/dbraw/zinc/10/39/00/811103900.db2.gz SOBWFLUQPKNZFU-KKUMJFAQSA-N 2 0 342.484 -0.005 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1NC2=O ZINC001220431581 811105681 /nfs/dbraw/zinc/10/56/81/811105681.db2.gz KGPYUXREJGBYJH-UGFHNGPFSA-N 2 0 330.388 -0.796 20 0 EBADRP Cn1cc(-c2cc(CNC(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)ccn2)cn1 ZINC001220454319 811113168 /nfs/dbraw/zinc/11/31/68/811113168.db2.gz SXITYPMSSKYWSG-CQSZACIVSA-N 2 0 326.404 -0.093 20 0 EBADRP NC(=[NH2+])N(C(=O)[C@]1(N)CC[NH2+]C1)c1ccc(N2CCOCC2)cc1 ZINC001220460243 811116812 /nfs/dbraw/zinc/11/68/12/811116812.db2.gz FVDXOHNLRDDHFR-INIZCTEOSA-N 2 0 332.408 -0.560 20 0 EBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)O1 ZINC001220481350 811121996 /nfs/dbraw/zinc/12/19/96/811121996.db2.gz DRJPCLGEUWSJCQ-UTGUJQJDSA-N 3 0 326.441 -0.974 20 0 EBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001220481821 811123797 /nfs/dbraw/zinc/12/37/97/811123797.db2.gz SKCKTTVALLREGU-DSJMHWKBSA-N 2 0 344.456 -0.539 20 0 EBADRP [NH3+]C1(CNC(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CCCC1 ZINC001220495143 811126686 /nfs/dbraw/zinc/12/66/86/811126686.db2.gz ZADXKYACHFOHPT-LBPRGKRZSA-N 2 0 329.466 -0.212 20 0 EBADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1[NH2+]Cc1nnnn1C ZINC001036268512 811131508 /nfs/dbraw/zinc/13/15/08/811131508.db2.gz RVAZYRMVETXZNB-STQMWFEESA-N 2 0 333.440 -0.368 20 0 EBADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036267546 811131628 /nfs/dbraw/zinc/13/16/28/811131628.db2.gz QDDQLQDLSDDTHV-QWHCGFSZSA-N 2 0 348.451 -0.469 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036292387 811135283 /nfs/dbraw/zinc/13/52/83/811135283.db2.gz CTWLDOUEFSOSSB-CHWSQXEVSA-N 2 0 336.440 -0.469 20 0 EBADRP [NH3+]CCOCCOCCNC(=O)[C@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001220519674 811135669 /nfs/dbraw/zinc/13/56/69/811135669.db2.gz XLNGIPCPWCILIS-HUUCEWRRSA-N 2 0 328.457 -0.689 20 0 EBADRP COc1ccc([C@@H]([NH3+])CC(=O)NCCOCCOCC[NH3+])cn1 ZINC001220519368 811135729 /nfs/dbraw/zinc/13/57/29/811135729.db2.gz LRVWUGQREQZBPD-ZDUSSCGKSA-N 2 0 326.397 -0.412 20 0 EBADRP [NH3+]CCOCCOCCNC(=O)C[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220519574 811135988 /nfs/dbraw/zinc/13/59/88/811135988.db2.gz SQGIZHSDBHVDJW-GDBMZVCRSA-N 2 0 329.441 -0.357 20 0 EBADRP [NH3+]CCOCCOCCNC(=O)C[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220519576 811135992 /nfs/dbraw/zinc/13/59/92/811135992.db2.gz SQGIZHSDBHVDJW-HOCLYGCPSA-N 2 0 329.441 -0.357 20 0 EBADRP [NH3+]CC(=O)NCC(=O)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001220607751 811176936 /nfs/dbraw/zinc/17/69/36/811176936.db2.gz OOJKFZMSHPYADD-JTQLQIEISA-N 2 0 329.198 -0.360 20 0 EBADRP CS(=O)(=O)c1ccccc1CNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220683513 811200149 /nfs/dbraw/zinc/20/01/49/811200149.db2.gz OCYKZVAYVVOFMB-NSHDSACASA-N 2 0 331.463 -0.275 20 0 EBADRP O=C(NC[C@@H]1CN(c2ccccc2)CCO1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220736997 811223073 /nfs/dbraw/zinc/22/30/73/811223073.db2.gz YWYZZYKDSKOQCY-CVEARBPZSA-N 2 0 330.432 -0.183 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001220764796 811232861 /nfs/dbraw/zinc/23/28/61/811232861.db2.gz WTBBYRNMZAOHJW-CABCVRRESA-N 2 0 329.441 -0.848 20 0 EBADRP COC(=O)[C@@H](Cc1cncn1C)NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220771611 811236141 /nfs/dbraw/zinc/23/61/41/811236141.db2.gz AWXFWTJZQUPDKP-WCQYABFASA-N 2 0 325.413 -0.533 20 0 EBADRP O=C(NC[C@H]1CC[NH2+][C@H]1c1cccnc1)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001220791418 811243361 /nfs/dbraw/zinc/24/33/61/811243361.db2.gz XVUJJUDVEMUWJT-SNPRPXQTSA-N 2 0 329.404 -0.674 20 0 EBADRP NC(=O)NCCC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220801501 811246487 /nfs/dbraw/zinc/24/64/87/811246487.db2.gz ZYEYUFMLEBWOKD-CIUDSAMLSA-N 2 0 325.335 -0.581 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220806221 811247707 /nfs/dbraw/zinc/24/77/07/811247707.db2.gz ZCGISOJDWCBPTQ-GRYCIOLGSA-N 3 0 337.390 -0.607 20 0 EBADRP CCOC(=O)C1=C(NC(=O)C2CCN([C@H]3CC[NH2+]C3)CC2)C[NH2+]C1 ZINC001220830508 811257983 /nfs/dbraw/zinc/25/79/83/811257983.db2.gz ZKJLUJYEBVWBOD-ZDUSSCGKSA-N 2 0 336.436 -0.403 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@H](CC(=O)OC(C)(C)C)[NH2+]C)C[NH2+]C1 ZINC001220827903 811259348 /nfs/dbraw/zinc/25/93/48/811259348.db2.gz CEMSLWXQBVAHDE-NSHDSACASA-N 2 0 341.408 -0.157 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@H]2CCCCN2[C@@H]2CC[NH2+]C2)C[NH2+]C1 ZINC001220829808 811259469 /nfs/dbraw/zinc/25/94/69/811259469.db2.gz AEPUQGSXOIVNDU-IUODEOHRSA-N 2 0 336.436 -0.261 20 0 EBADRP CCOC(=O)C1(NC(=O)C2([NH3+])CCC3(CC2)OCCO3)C[NH2+]C1 ZINC001220851037 811266578 /nfs/dbraw/zinc/26/65/78/811266578.db2.gz FDOZTKFQLRDFTL-UHFFFAOYSA-N 2 0 327.381 -0.978 20 0 EBADRP CCOC(=O)C1(NC(=O)[C@@H]2Cn3ccnc3C23CC[NH2+]CC3)C[NH2+]C1 ZINC001220848849 811267422 /nfs/dbraw/zinc/26/74/22/811267422.db2.gz KKKRVPOCHNJHMH-LBPRGKRZSA-N 2 0 347.419 -0.845 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CCO)C2)cn1 ZINC001036840525 811282041 /nfs/dbraw/zinc/28/20/41/811282041.db2.gz JJOBZCJRLKYJFE-HOCLYGCPSA-N 2 0 335.452 -0.027 20 0 EBADRP O=C(CNC(=O)[C@H]1[NH2+]CC[C@H]1O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220900267 811287481 /nfs/dbraw/zinc/28/74/81/811287481.db2.gz FTXWMUBXIAJYOV-ZBFHGGJFSA-N 2 0 338.452 -0.698 20 0 EBADRP CS(=O)(=O)N1CCC(CNC(=O)C[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001220926328 811296830 /nfs/dbraw/zinc/29/68/30/811296830.db2.gz HKHUPJIZFOZABF-ZDUSSCGKSA-N 2 0 334.486 -0.379 20 0 EBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220929855 811298603 /nfs/dbraw/zinc/29/86/03/811298603.db2.gz HLTZYZNSEMZTQQ-QCQGSNGOSA-N 2 0 340.468 -0.027 20 0 EBADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001220936562 811300575 /nfs/dbraw/zinc/30/05/75/811300575.db2.gz HFSATOHYRWJYGE-RVZJWNSFSA-N 2 0 344.415 -0.409 20 0 EBADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001220936560 811301693 /nfs/dbraw/zinc/30/16/93/811301693.db2.gz HFSATOHYRWJYGE-DFHBCGBQSA-N 2 0 344.415 -0.409 20 0 EBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221116374 811383512 /nfs/dbraw/zinc/38/35/12/811383512.db2.gz XZDWXSLWDBHUQA-AWEZNQCLSA-N 2 0 345.447 -0.313 20 0 EBADRP COCCOc1nccc(CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)n1 ZINC001221158196 811396998 /nfs/dbraw/zinc/39/69/98/811396998.db2.gz UIGXNUAOCXQDAU-MLGOLLRUSA-N 2 0 335.408 -0.683 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001221188368 811411332 /nfs/dbraw/zinc/41/13/32/811411332.db2.gz UBOBEEUZFSQIBS-XEZPLFJOSA-N 2 0 327.425 -0.068 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001221190117 811412285 /nfs/dbraw/zinc/41/22/85/811412285.db2.gz CGPHYRVJFUIERY-MELADBBJSA-N 2 0 326.441 -0.401 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001221190110 811412311 /nfs/dbraw/zinc/41/23/11/811412311.db2.gz CGPHYRVJFUIERY-HZSPNIEDSA-N 2 0 326.441 -0.401 20 0 EBADRP CC(C)CC1(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCS(=O)(=O)CC1 ZINC001221215521 811419845 /nfs/dbraw/zinc/41/98/45/811419845.db2.gz RJEGZGVULDNPGT-ZDUSSCGKSA-N 2 0 343.493 -0.095 20 0 EBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@]2(C)CCC[N@H+](C)C2)COC1(C)C ZINC001221244242 811424212 /nfs/dbraw/zinc/42/42/12/811424212.db2.gz UBYUSNDRGZLSGS-MQIPJXDCSA-N 2 0 326.441 -0.102 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1c2ccccc2NC1=O ZINC001221312102 811437585 /nfs/dbraw/zinc/43/75/85/811437585.db2.gz UMUUTSZWTSBZSS-ZIAGYGMSSA-N 2 0 331.420 -0.411 20 0 EBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NCCN1CCCS1(=O)=O ZINC001221336268 811443127 /nfs/dbraw/zinc/44/31/27/811443127.db2.gz MDCYVPGWDWNBBL-ZDUSSCGKSA-N 2 0 334.486 -0.366 20 0 EBADRP NC1=CC=C(C2CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC2)[NH2+]C1 ZINC001221392391 811448935 /nfs/dbraw/zinc/44/89/35/811448935.db2.gz LPZXREFHBIDSDT-ZDUSSCGKSA-N 3 0 325.482 -0.426 20 0 EBADRP Cn1ncc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c(Br)c1=O ZINC001221401011 811450409 /nfs/dbraw/zinc/45/04/09/811450409.db2.gz ADEFYSDEXNXOHK-SNVBAGLBSA-N 2 0 344.213 -0.192 20 0 EBADRP Cc1nnc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])[nH]1 ZINC001221409497 811451954 /nfs/dbraw/zinc/45/19/54/811451954.db2.gz UPQONWNBFHRMHT-RYUDHWBXSA-N 2 0 337.428 -0.823 20 0 EBADRP O=C1CN(Cc2ccccc2N2CC[NH2+]CC2)[C@@]2(CC[NH2+]C2)CN1 ZINC001222374914 811624579 /nfs/dbraw/zinc/62/45/79/811624579.db2.gz XGMYNYMLRZDMCV-GOSISDBHSA-N 2 0 329.448 -0.240 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001222613401 811648272 /nfs/dbraw/zinc/64/82/72/811648272.db2.gz ZRFZADQWQXYLRL-YPMHNXCESA-N 2 0 339.440 -0.508 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001222612330 811648323 /nfs/dbraw/zinc/64/83/23/811648323.db2.gz BZRWGRITRJJRIY-LBPRGKRZSA-N 2 0 325.413 -0.896 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCC1CC[NH+](CC(=O)NC(N)=O)CC1)C1CC1 ZINC001223465197 811707948 /nfs/dbraw/zinc/70/79/48/811707948.db2.gz FNPXMEAGMMGXOX-AWEZNQCLSA-N 2 0 339.440 -0.650 20 0 EBADRP CC[C@@H](C(=O)NCC1CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1)[NH+](C)C ZINC001224591770 811767020 /nfs/dbraw/zinc/76/70/20/811767020.db2.gz COQZHEINNAIWPI-AAEUAGOBSA-N 2 0 341.456 -0.262 20 0 EBADRP CC[C@H](C(=O)N(CC)C1CN(C(=O)COCC[NH+](C)C)C1)[NH+](C)C ZINC001080016963 811843702 /nfs/dbraw/zinc/84/37/02/811843702.db2.gz UEBIBZMPOQXITL-OAHLLOKOSA-N 2 0 342.484 -0.036 20 0 EBADRP C[N@H+](CC(=O)NC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1)C1CCC1 ZINC001227832824 811943918 /nfs/dbraw/zinc/94/39/18/811943918.db2.gz PORGJTCAHBXTBS-AWEZNQCLSA-N 2 0 336.436 -0.144 20 0 EBADRP CN(CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C)S(C)(=O)=O ZINC001228366366 811976011 /nfs/dbraw/zinc/97/60/11/811976011.db2.gz QIWCFNGANSNPLE-ZIAGYGMSSA-N 2 0 348.513 -0.154 20 0 EBADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001080442516 812029717 /nfs/dbraw/zinc/02/97/17/812029717.db2.gz CSCCPKBYXGAKHD-QLFBSQMISA-N 2 0 337.468 -0.068 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001229525284 812038989 /nfs/dbraw/zinc/03/89/89/812038989.db2.gz ZWRHRTMMGMSDPT-ZIAGYGMSSA-N 2 0 348.513 -0.106 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)C1 ZINC001229693155 812049238 /nfs/dbraw/zinc/04/92/38/812049238.db2.gz NWRLHIVLJARVMN-YNEHKIRRSA-N 2 0 339.440 -0.460 20 0 EBADRP CN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)C1=O ZINC001229717283 812050829 /nfs/dbraw/zinc/05/08/29/812050829.db2.gz PTEVYVPSPMZXOC-RBSFLKMASA-N 2 0 340.468 -0.188 20 0 EBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)COCC[NH+](C)C)CC2)C1=O ZINC001230048509 812071799 /nfs/dbraw/zinc/07/17/99/812071799.db2.gz DXROXZRBSOKAKO-AWEZNQCLSA-N 2 0 326.441 -0.624 20 0 EBADRP CCC[N@H+](C)CC(=O)NC1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001230113237 812078084 /nfs/dbraw/zinc/07/80/84/812078084.db2.gz YTTSUXAAJXHZRE-UHFFFAOYSA-N 2 0 339.440 -0.539 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNS(C)(=O)=O)C1 ZINC001230141481 812080626 /nfs/dbraw/zinc/08/06/26/812080626.db2.gz MQUDJUHOAOZBEF-MGPQQGTHSA-N 2 0 346.497 -0.496 20 0 EBADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(=O)[nH]n3)CC[C@@H]2C1 ZINC001232022997 812309601 /nfs/dbraw/zinc/30/96/01/812309601.db2.gz CMQXNENVWRORTC-UKRRQHHQSA-N 2 0 349.435 -0.207 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O ZINC001235691469 812507463 /nfs/dbraw/zinc/50/74/63/812507463.db2.gz RSAQSCSTKMVDHQ-XGUBFFRZSA-N 2 0 331.457 -0.351 20 0 EBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN(Cc2ccc(N3CC[NH2+]CC3)nc2)C1 ZINC001235776092 812513354 /nfs/dbraw/zinc/51/33/54/812513354.db2.gz NUXRPHWLVMPDLO-HUUCEWRRSA-N 2 0 333.436 -0.187 20 0 EBADRP COC(=O)[C@H]1C[C@@H]([NH3+])CN(Cc2cccc(C(=O)NCC[NH3+])c2)C1 ZINC001235770774 812513885 /nfs/dbraw/zinc/51/38/85/812513885.db2.gz FYYBVMNXXIOQEN-LSDHHAIUSA-N 2 0 334.420 -0.303 20 0 EBADRP [NH3+]CCNC(=O)c1cccc(C[N@@H+]2CCC[C@H](N3CC([NH3+])C3)C2)c1 ZINC001236079355 812515949 /nfs/dbraw/zinc/51/59/49/812515949.db2.gz ROAMACNRHKQDPN-KRWDZBQOSA-N 3 0 331.464 -0.018 20 0 EBADRP COC(=O)c1ccnc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001236311772 812517079 /nfs/dbraw/zinc/51/70/79/812517079.db2.gz MEIKSBQTLUUYHT-UHFFFAOYSA-N 2 0 337.424 -0.516 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cnc2c(c1)OCCO2 ZINC001236310580 812517121 /nfs/dbraw/zinc/51/71/21/812517121.db2.gz HRNHXISRUXWCCP-UHFFFAOYSA-N 2 0 337.424 -0.531 20 0 EBADRP COc1ncc(F)cc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236312633 812517162 /nfs/dbraw/zinc/51/71/62/812517162.db2.gz VZEVPDKLOUWRQL-UHFFFAOYSA-N 2 0 327.404 -0.155 20 0 EBADRP CC(=O)N1CCC[C@@H](CN(CCC[NH3+])CC(=O)NCCC[NH3+])C1 ZINC001236310407 812517199 /nfs/dbraw/zinc/51/71/99/812517199.db2.gz YLZNJMDUQCSFCI-HNNXBMFYSA-N 2 0 327.473 -0.639 20 0 EBADRP C(C[N@H+](CC1CC[NH2+]CC1)C[C@@H]1COCCN1)N1CCOCC1 ZINC001236399921 812518714 /nfs/dbraw/zinc/51/87/14/812518714.db2.gz SPFQBGPJFLBZNL-QGZVFWFLSA-N 2 0 326.485 -0.391 20 0 EBADRP COC(=O)CCCS(=O)(=O)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238242169 812525352 /nfs/dbraw/zinc/52/53/52/812525352.db2.gz NDZZQBKDACOIGP-GFCCVEGCSA-N 2 0 333.454 -0.267 20 0 EBADRP O=S(=O)(CC1CC[NH2+]CC1)NCc1nnc2n1CCC[NH2+]C2 ZINC001238257454 812525552 /nfs/dbraw/zinc/52/55/52/812525552.db2.gz WKBUBBRWQRMMOZ-UHFFFAOYSA-N 2 0 328.442 -0.810 20 0 EBADRP O=S(=O)(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)C1CC[NH2+]CC1 ZINC001238326349 812526017 /nfs/dbraw/zinc/52/60/17/812526017.db2.gz KOOOKAZHMZHEQQ-JSGCOSHPSA-N 2 0 333.454 -0.947 20 0 EBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001238329027 812526458 /nfs/dbraw/zinc/52/64/58/812526458.db2.gz SDSMONIOZZEYGJ-LSDHHAIUSA-N 2 0 347.481 -0.700 20 0 EBADRP CCOC(=O)C[C@@H](NS(=O)(=O)[C@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC001238511562 812529366 /nfs/dbraw/zinc/52/93/66/812529366.db2.gz HPJLMMRCHIWMNN-QWHCGFSZSA-N 2 0 333.454 -0.411 20 0 EBADRP COC(=O)c1ccc([C@@H]([NH3+])CNS(=O)(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC001238919186 812535939 /nfs/dbraw/zinc/53/59/39/812535939.db2.gz JAQVEWALRFDAAL-OLZOCXBDSA-N 2 0 327.406 -0.246 20 0 EBADRP O[C@@H](CNc1cccnc1N1CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001245957716 812556275 /nfs/dbraw/zinc/55/62/75/812556275.db2.gz QMKIJNPFYYQJHT-CQSZACIVSA-N 2 0 335.452 -0.231 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001245978656 812556923 /nfs/dbraw/zinc/55/69/23/812556923.db2.gz OFVWQIZSCPHOFX-INDMIFKZSA-N 3 0 349.475 -0.098 20 0 EBADRP [NH3+]CCNCC[NH2+]C[C@@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 ZINC001246007289 812558762 /nfs/dbraw/zinc/55/87/62/812558762.db2.gz JNISQCPWEKMHHU-HUUCEWRRSA-N 2 0 340.378 -0.356 20 0 EBADRP O[C@H](C[NH+]1CCN(C2CC[NH2+]CC2)CC1)CC1(O)CC[NH2+]CC1 ZINC001246051386 812561367 /nfs/dbraw/zinc/56/13/67/812561367.db2.gz FWPXFPRRVBHZDF-INIZCTEOSA-N 3 0 326.485 -0.779 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@@H](O)COc1ccccc1 ZINC001246055658 812562471 /nfs/dbraw/zinc/56/24/71/812562471.db2.gz SMNIYVLOMGQNRW-OAHLLOKOSA-N 2 0 338.452 -0.458 20 0 EBADRP Cc1ccc(OC[C@H](O)CN2CC[NH2+]CCNCC[NH2+]CC2)cc1 ZINC001246059042 812562669 /nfs/dbraw/zinc/56/26/69/812562669.db2.gz XVVMSUKGQAZZPW-QGZVFWFLSA-N 2 0 336.480 -0.181 20 0 EBADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2(C(=O)OC)CC[NH2+]CC2)CN1 ZINC001246095886 812564473 /nfs/dbraw/zinc/56/44/73/812564473.db2.gz GVNMDZRROLGTSJ-STQMWFEESA-N 2 0 327.425 -0.198 20 0 EBADRP CC[C@]1(C(=O)OC)C[C@H]([NH2+]C[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CN1 ZINC001246147219 812565829 /nfs/dbraw/zinc/56/58/29/812565829.db2.gz WIRVYJHECPJCPA-NXNVCVFFSA-N 2 0 341.452 -0.345 20 0 EBADRP CS(=O)(=O)N1CCC([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001246142570 812565980 /nfs/dbraw/zinc/56/59/80/812565980.db2.gz IYGHJHHZBAFTDQ-AWEZNQCLSA-N 2 0 330.498 -0.126 20 0 EBADRP O=C([C@@H]1C[C@@H](N[C@H]2COCCC23C[NH2+]C3)C[NH2+]1)N1CCSC1 ZINC001246140237 812565997 /nfs/dbraw/zinc/56/59/97/812565997.db2.gz ZUMZGZLYRFDKFP-AGIUHOORSA-N 2 0 326.466 -0.782 20 0 EBADRP O=C([C@@H]1C[C@@H](NC[C@H]2CC3(CC[NH2+]CC3)O2)C[NH2+]1)N1CCSC1 ZINC001246132701 812566151 /nfs/dbraw/zinc/56/61/51/812566151.db2.gz NANLDDJSJVPRBJ-MCIONIFRSA-N 2 0 340.493 -0.250 20 0 EBADRP O=C([C@@H]1C[C@H](N[C@H]2COCCC23C[NH2+]C3)C[NH2+]1)N1CCSC1 ZINC001246140238 812566162 /nfs/dbraw/zinc/56/61/62/812566162.db2.gz ZUMZGZLYRFDKFP-AVGNSLFASA-N 2 0 326.466 -0.782 20 0 EBADRP O=C([C@@H]1C[C@H]([NH2+]C[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)CN1)N1CCSC1 ZINC001246146077 812566476 /nfs/dbraw/zinc/56/64/76/812566476.db2.gz BTUOUDXVDUMPDO-PDWCTOEPSA-N 2 0 326.466 -0.926 20 0 EBADRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@@H]1CCC2(C[NH2+]C2)C1 ZINC001246217574 812567990 /nfs/dbraw/zinc/56/79/90/812567990.db2.gz UBTVRUHVUHKQHX-MRXNPFEDSA-N 3 0 345.484 -0.257 20 0 EBADRP [NH3+]CCOCCOCCOCCOCCN[C@@H]1CCCC[NH2+]C1 ZINC001246217560 812568483 /nfs/dbraw/zinc/56/84/83/812568483.db2.gz TVXPPUKYMCVVKQ-MRXNPFEDSA-N 2 0 333.473 -0.257 20 0 EBADRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246214573 812568634 /nfs/dbraw/zinc/56/86/34/812568634.db2.gz FNCHBZYPMYWMIM-FVQHAEBGSA-N 3 0 345.484 -0.116 20 0 EBADRP CCOC(=O)C[C@@H]([NH2+][C@@H]1CN[C@H](C(=O)OC)C1)C1CC[NH2+]CC1 ZINC001246231497 812569181 /nfs/dbraw/zinc/56/91/81/812569181.db2.gz UVBDDDMCSLUZLJ-MJBXVCDLSA-N 2 0 327.425 -0.199 20 0 EBADRP CCOC(=O)C[C@@H]([NH2+][C@H]1CN[C@@H](C(=O)OC)C1)C1CC[NH2+]CC1 ZINC001246231495 812569667 /nfs/dbraw/zinc/56/96/67/812569667.db2.gz UVBDDDMCSLUZLJ-MGPQQGTHSA-N 2 0 327.425 -0.199 20 0 EBADRP CCOC(=O)C1(C[NH2+][C@H]2CC[C@@H](C(=O)OC)NC2)CC[NH2+]CC1 ZINC001246315374 812570752 /nfs/dbraw/zinc/57/07/52/812570752.db2.gz GTURZKWIDHKNNS-STQMWFEESA-N 2 0 327.425 -0.198 20 0 EBADRP CCOC(=O)C1(C[NH2+][C@@H]2CC[C@@H](C(=O)OC)NC2)CC[NH2+]CC1 ZINC001246315372 812571119 /nfs/dbraw/zinc/57/11/19/812571119.db2.gz GTURZKWIDHKNNS-OLZOCXBDSA-N 2 0 327.425 -0.198 20 0 EBADRP C[C@@H]1CC[C@@H](n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)C[NH2+]1 ZINC001246482283 812574202 /nfs/dbraw/zinc/57/42/02/812574202.db2.gz MYMPBXWOONWQNH-UXOAXIEHSA-N 2 0 348.451 -0.458 20 0 EBADRP [NH3+]C[C@@]1(O)CCCN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC1 ZINC001246543453 812574653 /nfs/dbraw/zinc/57/46/53/812574653.db2.gz NITKBEFYLAINNP-VNHYZAJKSA-N 2 0 328.482 -0.575 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])N[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246511973 812575509 /nfs/dbraw/zinc/57/55/09/812575509.db2.gz KEVVMSGWUVAJMV-AVGNSLFASA-N 2 0 343.497 -0.917 20 0 EBADRP c1cnc(N2CCN(C3C[NH+]([C@@H]4CCNC5(C[NH2+]C5)C4)C3)CC2)nc1 ZINC001246550736 812575581 /nfs/dbraw/zinc/57/55/81/812575581.db2.gz OPDBCESRXGXFKH-OAHLLOKOSA-N 2 0 343.479 -0.623 20 0 EBADRP COC(=O)C1C[C@@H]2CC(N3CC(=O)NC[C@]34CC[NH2+]C4)C[C@H](C1)[NH2+]2 ZINC001246623398 812576626 /nfs/dbraw/zinc/57/66/26/812576626.db2.gz SSDACELILPJMFK-SGGNFBRKSA-N 2 0 336.436 -0.778 20 0 EBADRP COC(=O)C1C[C@@H]2CC(N3CC[NH2+]C[C@@H]3C(=O)OC)C[C@H](C1)[NH2+]2 ZINC001246621443 812576764 /nfs/dbraw/zinc/57/67/64/812576764.db2.gz LQIHPDHTUDKBAW-OONHEIRLSA-N 2 0 325.409 -0.495 20 0 EBADRP O=C([C@@H]1C[C@H](N2CC[C@@H]3OCC[NH2+][C@H]3C2)C[NH2+]1)N1CCSC1 ZINC001246653902 812579521 /nfs/dbraw/zinc/57/95/21/812579521.db2.gz BQAGOUMWYVMGHR-XUXIUFHCSA-N 2 0 326.466 -0.688 20 0 EBADRP O=C([C@@H]1C[C@H](N2CCO[C@@H]3CC[NH2+]C[C@@H]32)C[NH2+]1)N1CCSC1 ZINC001246648686 812579533 /nfs/dbraw/zinc/57/95/33/812579533.db2.gz ZYSXXVMKDMDEKO-XDQVBPFNSA-N 2 0 326.466 -0.688 20 0 EBADRP CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246675934 812580111 /nfs/dbraw/zinc/58/01/11/812580111.db2.gz BOCBNAGSJIDFCZ-DAYGRLMNSA-N 3 0 336.480 -0.055 20 0 EBADRP COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CCNC3(C[NH2+]C3)C2)O1 ZINC001246697428 812581303 /nfs/dbraw/zinc/58/13/03/812581303.db2.gz AHGLPDLQMYGMJQ-TUVASFSCSA-N 2 0 338.452 -0.925 20 0 EBADRP Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3[C@@H]2CCNC3(C[NH2+]C3)C2)cn1 ZINC001246713894 812583300 /nfs/dbraw/zinc/58/33/00/812583300.db2.gz KTRNZAQRXMZKBR-VHDGCEQUSA-N 2 0 330.436 -0.306 20 0 EBADRP Cc1ccc(N2CCO[C@H]3C[N@@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)C[C@H]32)nn1 ZINC001246720294 812583420 /nfs/dbraw/zinc/58/34/20/812583420.db2.gz NGHUBDRAZSTBSL-OAGGEKHMSA-N 2 0 344.463 -0.232 20 0 EBADRP COC(=O)C1C[C@@H]2CC(N3C[C@H]([NH3+])C[C@H](C(=O)OC)C3)C[C@H](C1)[NH2+]2 ZINC001246797226 812587181 /nfs/dbraw/zinc/58/71/81/812587181.db2.gz NIDNPIGRIOKZLD-CZFYFISASA-N 2 0 339.436 -0.119 20 0 EBADRP CC(=O)NCc1ncn2c1C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246766654 812587850 /nfs/dbraw/zinc/58/78/50/812587850.db2.gz OGTRQCQDNHTKPP-CQSZACIVSA-N 2 0 332.452 -0.181 20 0 EBADRP C1C[NH+](C2CCC(N3CC[NH2+]CCNCC[NH2+]CC3)CC2)CCO1 ZINC001246819019 812589559 /nfs/dbraw/zinc/58/95/59/812589559.db2.gz FLOLTJZIMQFSIK-UHFFFAOYSA-N 3 0 339.528 -0.286 20 0 EBADRP NC(=O)c1cccnc1N1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246848284 812590492 /nfs/dbraw/zinc/59/04/92/812590492.db2.gz YBXZTGOIAVDSRW-CYBMUJFWSA-N 2 0 330.436 -0.604 20 0 EBADRP CN(CCN1CC[NH2+]CC1)[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246870064 812592028 /nfs/dbraw/zinc/59/20/28/812592028.db2.gz KAZUGJCJLGYUMQ-KGLIPLIRSA-N 2 0 327.498 -0.913 20 0 EBADRP O=C([C@@H]1C[C@@H](N2CC(O)([C@H]3CCCC[NH2+]3)C2)C[NH2+]1)N1CCSC1 ZINC001246898252 812592281 /nfs/dbraw/zinc/59/22/81/812592281.db2.gz MIJOLULODITHCC-HZSPNIEDSA-N 2 0 340.493 -0.561 20 0 EBADRP CCOC(=O)[C@H]1CC[C@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])CO1 ZINC001246924136 812593070 /nfs/dbraw/zinc/59/30/70/812593070.db2.gz GQCZXAFUEJRNRE-UONOGXRCSA-N 3 0 344.456 -0.787 20 0 EBADRP CC(C)S(=O)(=O)N(C1CC[NH2+]CC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246956666 812594506 /nfs/dbraw/zinc/59/45/06/812594506.db2.gz GRSGUBHNRYSHDB-CQSZACIVSA-N 2 0 330.498 -0.127 20 0 EBADRP O=c1ccc2c(n1CC[NH+]1CCCC1)CC[C@H]([NH2+]C[C@H](O)CO)C2 ZINC001252068853 812646010 /nfs/dbraw/zinc/64/60/10/812646010.db2.gz SULIEKOBBJJSAJ-HOTGVXAUSA-N 2 0 335.448 -0.256 20 0 EBADRP C[N@@H+]1CCC[C@H](n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001255479255 812714835 /nfs/dbraw/zinc/71/48/35/812714835.db2.gz FMTFVMIMOVKCSV-QEJZJMRPSA-N 2 0 348.451 -0.504 20 0 EBADRP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CCN(CC[NH3+])N(O)N=O ZINC001255807921 812722128 /nfs/dbraw/zinc/72/21/28/812722128.db2.gz JTTAMWCGUWKDCN-GFCCVEGCSA-N 2 0 345.425 -0.013 20 0 EBADRP OC[C@H]1C[N@H+](CCCCCC[NH+]2CC[C@H](O)[C@H](CO)C2)CC[C@@H]1O ZINC001261660148 812961005 /nfs/dbraw/zinc/96/10/05/812961005.db2.gz GHKQVQFXRSVGDW-MHORFTMASA-N 2 0 344.496 -0.103 20 0 EBADRP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)cn2)CC1 ZINC001262034740 813029852 /nfs/dbraw/zinc/02/98/52/813029852.db2.gz MEGCUZXOJAZHLE-LBPRGKRZSA-N 2 0 334.424 -0.105 20 0 EBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC001262202759 813046776 /nfs/dbraw/zinc/04/67/76/813046776.db2.gz BJUBIEHWSCXNDS-AWEZNQCLSA-N 2 0 340.468 -0.247 20 0 EBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC001262542426 813090630 /nfs/dbraw/zinc/09/06/30/813090630.db2.gz ZYKKNHILOBCAPY-GJZGRUSLSA-N 2 0 339.484 -0.485 20 0 EBADRP CN(C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1(C[NH3+])CCOCC1 ZINC001262544796 813092138 /nfs/dbraw/zinc/09/21/38/813092138.db2.gz KRMZBSXKVCANIV-KBPBESRZSA-N 2 0 338.452 -0.304 20 0 EBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001262593740 813098085 /nfs/dbraw/zinc/09/80/85/813098085.db2.gz BRBMVIAKUHLTNA-INIZCTEOSA-N 2 0 329.489 -0.326 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081506752 813099202 /nfs/dbraw/zinc/09/92/02/813099202.db2.gz WLAOGSUWVFNNNI-CABCVRRESA-N 2 0 340.468 -0.641 20 0 EBADRP CN1CC[NH2+]C[C@H]1C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC001263102769 813106917 /nfs/dbraw/zinc/10/69/17/813106917.db2.gz DJVRJJIBLQFADV-SFHVURJKSA-N 2 0 345.491 -0.046 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CCSC1 ZINC001263095417 813107165 /nfs/dbraw/zinc/10/71/65/813107165.db2.gz LPDFJLNZIVZCHT-WFASDCNBSA-N 2 0 328.482 -0.263 20 0 EBADRP CN1CC[NH2+]C[C@@H]1C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC001263102768 813107393 /nfs/dbraw/zinc/10/73/93/813107393.db2.gz DJVRJJIBLQFADV-GOSISDBHSA-N 2 0 345.491 -0.046 20 0 EBADRP [NH3+][C@H](CO)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001263108406 813108346 /nfs/dbraw/zinc/10/83/46/813108346.db2.gz WQBNSTYBLJAZPL-CQSZACIVSA-N 2 0 326.441 -0.853 20 0 EBADRP C[C@H](C(=O)N1CCNCCN(C(=O)[C@@H](C)[NH+](C)C)CC1)[NH+](C)C ZINC001263202881 813109079 /nfs/dbraw/zinc/10/90/79/813109079.db2.gz MXMJMMXZCOUYQX-ZIAGYGMSSA-N 2 0 327.473 -0.853 20 0 EBADRP [NH3+]CCN1CCC[C@@H](C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1=O ZINC001263178938 813109122 /nfs/dbraw/zinc/10/91/22/813109122.db2.gz ZYDSBXIMRXQHMG-KGLIPLIRSA-N 2 0 338.452 -0.541 20 0 EBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)[C@@H]1C[NH2+]CCC1(F)F)C2 ZINC001263188793 813109250 /nfs/dbraw/zinc/10/92/50/813109250.db2.gz ASNJPDGILGPIKE-MIJXAVMKSA-N 2 0 331.363 -0.030 20 0 EBADRP COC[C@]1(C(=O)NCCCCCN2CC[NH2+]CC2)C[NH2+]CCO1 ZINC001263207976 813109297 /nfs/dbraw/zinc/10/92/97/813109297.db2.gz XBRYJPUXEDDKNP-INIZCTEOSA-N 2 0 328.457 -0.817 20 0 EBADRP C[N@H+](CC(=O)NCc1nc(C[NH2+]CCO)cc(=O)[nH]1)CC(C)(C)C ZINC001264028168 813142185 /nfs/dbraw/zinc/14/21/85/813142185.db2.gz MDFFENKMRDMJIF-UHFFFAOYSA-N 2 0 339.440 -0.142 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001265001519 813215707 /nfs/dbraw/zinc/21/57/07/813215707.db2.gz ZRVLXMKCMUVHQQ-CHWSQXEVSA-N 2 0 341.456 -0.247 20 0 EBADRP C[C@H](C(N)=O)[N@H+](C)CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001265001440 813216228 /nfs/dbraw/zinc/21/62/28/813216228.db2.gz XARWHPGVVBELSL-CYBMUJFWSA-N 2 0 328.457 -0.343 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CC)CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001265114620 813239557 /nfs/dbraw/zinc/23/95/57/813239557.db2.gz HUJVZGUMXRZGJV-QWHCGFSZSA-N 2 0 341.456 -0.260 20 0 EBADRP CC[N@H+](CCCNC(=O)COC1CC[NH+](C)CC1)[C@@H]1CCNC1=O ZINC001265139077 813246737 /nfs/dbraw/zinc/24/67/37/813246737.db2.gz CKGLGHHVARPWEC-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081635122 813339641 /nfs/dbraw/zinc/33/96/41/813339641.db2.gz PTLPXBCGOCAKHA-LSDHHAIUSA-N 2 0 340.468 -0.641 20 0 EBADRP CC(C)NC(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001265570035 813341707 /nfs/dbraw/zinc/34/17/07/813341707.db2.gz NLBIDYXFMMNBLW-MCIONIFRSA-N 2 0 325.457 -0.118 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCS(C)(=O)=O)C1 ZINC001265690928 813359353 /nfs/dbraw/zinc/35/93/53/813359353.db2.gz AHBRXFKGIQPXGP-ZIAGYGMSSA-N 2 0 331.482 -0.047 20 0 EBADRP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001081686355 813402096 /nfs/dbraw/zinc/40/20/96/813402096.db2.gz RILAFOHVAHFGKX-HUUCEWRRSA-N 2 0 339.440 -0.744 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001265945394 813423733 /nfs/dbraw/zinc/42/37/33/813423733.db2.gz LRHWRJFZYGAKKU-HNNXBMFYSA-N 2 0 326.441 -0.575 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001081701396 813439770 /nfs/dbraw/zinc/43/97/70/813439770.db2.gz VKVKHOUQTPLGFX-HUUCEWRRSA-N 2 0 342.484 -0.395 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1O ZINC001081732646 813487422 /nfs/dbraw/zinc/48/74/22/813487422.db2.gz JLXUOIWQUZTVAP-UONOGXRCSA-N 2 0 340.468 -0.642 20 0 EBADRP Cn1cc(CN2CC[NH+](CCCNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001266277702 813505400 /nfs/dbraw/zinc/50/54/00/813505400.db2.gz MVUGXATWMLCVSH-QGZVFWFLSA-N 2 0 348.495 -0.004 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH+]2CCN(CCn3cccn3)CC2)C1 ZINC001266277613 813506602 /nfs/dbraw/zinc/50/66/02/813506602.db2.gz JECVDNRZIQOUTD-KRWDZBQOSA-N 2 0 348.495 -0.041 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081773642 813537213 /nfs/dbraw/zinc/53/72/13/813537213.db2.gz DNHMPDZDIAQKCJ-ZIAGYGMSSA-N 2 0 328.457 -0.785 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCNS(C)(=O)=O ZINC001266875415 813689285 /nfs/dbraw/zinc/68/92/85/813689285.db2.gz ZCFMWSWOFMTCLE-ZIAGYGMSSA-N 2 0 346.497 -0.400 20 0 EBADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001266927736 813702800 /nfs/dbraw/zinc/70/28/00/813702800.db2.gz LTRJDFRSCDQAHX-RYUDHWBXSA-N 2 0 339.440 -0.495 20 0 EBADRP CC(=O)NCCOCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267280376 813819760 /nfs/dbraw/zinc/81/97/60/813819760.db2.gz ADDXGKMEILETTA-CVEARBPZSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N(C)CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001267380502 813868124 /nfs/dbraw/zinc/86/81/24/813868124.db2.gz PUMNTQHZAYQNSL-NEPJUHHUSA-N 2 0 330.404 -0.481 20 0 EBADRP CO[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082329027 813901191 /nfs/dbraw/zinc/90/11/91/813901191.db2.gz XQERGJVFYFIINW-HZPDHXFCSA-N 2 0 347.463 -0.126 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CC[NH2+]CC(=O)N1CCC1 ZINC001267469003 813905928 /nfs/dbraw/zinc/90/59/28/813905928.db2.gz HEBGVOSTYYXNJN-AWEZNQCLSA-N 2 0 326.441 -0.765 20 0 EBADRP CO[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368487 813923356 /nfs/dbraw/zinc/92/33/56/813923356.db2.gz DFABMKMLKCVNMG-NUEKZKHPSA-N 2 0 335.452 -0.270 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@H]1CCC(=O)NC1=O ZINC001267537933 813924434 /nfs/dbraw/zinc/92/44/34/813924434.db2.gz OHDIYVQJAMBXLC-MJBXVCDLSA-N 2 0 336.436 -0.193 20 0 EBADRP C[NH+](C)CCCC(=O)NCC[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001267563884 813931207 /nfs/dbraw/zinc/93/12/07/813931207.db2.gz HTZFIMXPYDSLBG-KBPBESRZSA-N 2 0 338.452 -0.038 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001082515758 813962447 /nfs/dbraw/zinc/96/24/47/813962447.db2.gz XKYFZMBMKOVFFL-MRVWCRGKSA-N 2 0 348.451 -0.613 20 0 EBADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001082719808 813999897 /nfs/dbraw/zinc/99/98/97/813999897.db2.gz NOWOSPFPPHPCHB-MRVWCRGKSA-N 2 0 336.436 -0.430 20 0 EBADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001082719807 814000332 /nfs/dbraw/zinc/00/03/32/814000332.db2.gz NOWOSPFPPHPCHB-KWCYVHTRSA-N 2 0 336.436 -0.430 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001267969438 814080346 /nfs/dbraw/zinc/08/03/46/814080346.db2.gz HJQVPPSOFMQSFJ-UONOGXRCSA-N 2 0 336.436 -0.332 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001268142880 814133546 /nfs/dbraw/zinc/13/35/46/814133546.db2.gz RWBQZLXXCZXIEA-KGLIPLIRSA-N 2 0 346.497 -0.542 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCn1cc(Cl)cn1 ZINC001268301041 814177738 /nfs/dbraw/zinc/17/77/38/814177738.db2.gz VYZDAQKDXJLRCL-CHWSQXEVSA-N 2 0 329.832 -0.303 20 0 EBADRP C[C@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268422758 814237979 /nfs/dbraw/zinc/23/79/79/814237979.db2.gz HNRZFJWAASSJNI-KGLIPLIRSA-N 2 0 326.441 -0.719 20 0 EBADRP Cn1nccc1CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083275173 814254699 /nfs/dbraw/zinc/25/46/99/814254699.db2.gz RLMJTEHCZXLXKE-HYVNUMGLSA-N 2 0 347.463 -0.174 20 0 EBADRP O=C(C[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2)Nc1ccon1 ZINC001268613419 814318210 /nfs/dbraw/zinc/31/82/10/814318210.db2.gz MVOBVVGGFMTJCB-OWOJBTEDSA-N 2 0 333.392 -0.029 20 0 EBADRP C[C@H]([NH2+]C/C=C/CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001268614247 814319226 /nfs/dbraw/zinc/31/92/26/814319226.db2.gz UWAOABXGEQTQLD-QSKOYVBTSA-N 2 0 325.413 -0.826 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]CC(=O)NCC(F)(F)F)C1 ZINC001268626033 814325676 /nfs/dbraw/zinc/32/56/76/814325676.db2.gz LYNCUEANJLWMMA-OTDNITJGSA-N 2 0 336.358 -0.121 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001268628228 814327586 /nfs/dbraw/zinc/32/75/86/814327586.db2.gz ZUAYDXIRTIBXIQ-PZGMIKLFSA-N 2 0 338.452 -0.505 20 0 EBADRP C[C@H](C[NH2+]CCN1CCCS1(=O)=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268645841 814335944 /nfs/dbraw/zinc/33/59/44/814335944.db2.gz XWLBYLBMIDNSEJ-MGPQQGTHSA-N 2 0 346.497 -0.544 20 0 EBADRP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CCN1C(=O)CCC1=O)[NH+](C)C ZINC001268660913 814341974 /nfs/dbraw/zinc/34/19/74/814341974.db2.gz AKYHODABVFVIHJ-IUODEOHRSA-N 2 0 326.441 -0.184 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001268711335 814361844 /nfs/dbraw/zinc/36/18/44/814361844.db2.gz FHOQLPHXILTECT-LBPRGKRZSA-N 2 0 332.470 -0.884 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001268795386 814389105 /nfs/dbraw/zinc/38/91/05/814389105.db2.gz ISNGGXORZMXYSU-QWHCGFSZSA-N 2 0 341.456 -0.118 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CCC[NH2+][C@H]1CCNC1=O ZINC001268949875 814455318 /nfs/dbraw/zinc/45/53/18/814455318.db2.gz DIAUVUCIUJLYRD-KGLIPLIRSA-N 2 0 326.441 -0.719 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CCC[NH2+][C@@H]1CCNC1=O ZINC001268949877 814455402 /nfs/dbraw/zinc/45/54/02/814455402.db2.gz DIAUVUCIUJLYRD-ZIAGYGMSSA-N 2 0 326.441 -0.719 20 0 EBADRP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083470198 814465082 /nfs/dbraw/zinc/46/50/82/814465082.db2.gz DSMBEXNJDUWMOV-YUELXQCFSA-N 2 0 339.440 -0.746 20 0 EBADRP CC[N@H+](C)CC(=O)N1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001269095158 814529884 /nfs/dbraw/zinc/52/98/84/814529884.db2.gz OCJMGYDXEKUDBV-KRWDZBQOSA-N 2 0 338.452 -0.133 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@]2(F)C(=O)N(CC[NH+](C)C)C[C@@]2(F)C1 ZINC001269186878 814572343 /nfs/dbraw/zinc/57/23/43/814572343.db2.gz QAGDEGWSUHCGBP-HZPDHXFCSA-N 2 0 346.422 -0.009 20 0 EBADRP C[NH+](C)CCN1C[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)OCC1=O ZINC001269247647 814593175 /nfs/dbraw/zinc/59/31/75/814593175.db2.gz ICIBAGHSWIQGPB-PBHICJAKSA-N 2 0 338.452 -0.670 20 0 EBADRP O=C(N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083655148 814665368 /nfs/dbraw/zinc/66/53/68/814665368.db2.gz ZASTUPWGTAELAJ-OWQJAQGESA-N 2 0 335.448 -0.189 20 0 EBADRP CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@H]1CCC(=O)NC1=O ZINC001269432933 814690320 /nfs/dbraw/zinc/69/03/20/814690320.db2.gz OYHDSDBARBICCR-STQMWFEESA-N 2 0 336.436 -0.096 20 0 EBADRP C[C@@H](C(=O)N1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1)[NH+](C)C ZINC001269796839 815608201 /nfs/dbraw/zinc/60/82/01/815608201.db2.gz KSOUHYODRBFTDQ-YOEHRIQHSA-N 2 0 340.468 -0.424 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001269958904 815651591 /nfs/dbraw/zinc/65/15/91/815651591.db2.gz KTZIJXRTISUJPP-KBPBESRZSA-N 2 0 348.513 -0.154 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001269958905 815651878 /nfs/dbraw/zinc/65/18/78/815651878.db2.gz KTZIJXRTISUJPP-KGLIPLIRSA-N 2 0 348.513 -0.154 20 0 EBADRP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)cn1 ZINC001084053547 815797814 /nfs/dbraw/zinc/79/78/14/815797814.db2.gz BKZKBLVZKIKTRW-OAGGEKHMSA-N 2 0 335.452 -0.442 20 0 EBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CCCN1C(=O)CNC1=O ZINC001270593720 815821152 /nfs/dbraw/zinc/82/11/52/815821152.db2.gz ASFNEMNOEJYPSZ-CHWSQXEVSA-N 2 0 339.440 -0.778 20 0 EBADRP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CCN4CCNC4=O)C[C@H]32)CC1 ZINC001084630632 815953255 /nfs/dbraw/zinc/95/32/55/815953255.db2.gz NQGUUBHDLNTMGU-HZPDHXFCSA-N 2 0 349.479 -0.114 20 0 EBADRP C[NH+](C)CCN1CC[C@@]2(CCCN2C(=O)CN2CC[C@@H](O)C2)C1=O ZINC001271087833 815980765 /nfs/dbraw/zinc/98/07/65/815980765.db2.gz ZPWNYEKVXFPNEZ-PBHICJAKSA-N 2 0 338.452 -0.792 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001086047471 816213960 /nfs/dbraw/zinc/21/39/60/816213960.db2.gz RLJMVKMMIMNIIE-APIJFGDWSA-N 2 0 343.493 0.000 20 0 EBADRP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001271939557 816259867 /nfs/dbraw/zinc/25/98/67/816259867.db2.gz FWJUXZLWUBDBCL-ULQDDVLXSA-N 2 0 336.480 -0.199 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001086177472 816261152 /nfs/dbraw/zinc/26/11/52/816261152.db2.gz VPZTVVFXOMCITQ-BARDWOONSA-N 2 0 338.452 -0.532 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001086198599 816268629 /nfs/dbraw/zinc/26/86/29/816268629.db2.gz YWFHZFYWNZRXAH-NDBYEHHHSA-N 2 0 336.440 -0.710 20 0 EBADRP O=C(NC[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001086368276 816310002 /nfs/dbraw/zinc/31/00/02/816310002.db2.gz YEWLZVUVMNMDLD-FVQBIDKESA-N 2 0 349.479 -0.162 20 0 EBADRP O=C(NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001086854405 816411195 /nfs/dbraw/zinc/41/11/95/816411195.db2.gz XYIVSTYTWONWAK-BFHYXJOUSA-N 2 0 348.447 -0.238 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086982615 816433300 /nfs/dbraw/zinc/43/33/00/816433300.db2.gz SYMVRHHOLGOZAK-SQWLQELKSA-N 2 0 348.451 -0.870 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001086996546 816439905 /nfs/dbraw/zinc/43/99/05/816439905.db2.gz JSGHGRHNYJDDLC-VHDGCEQUSA-N 2 0 348.451 -0.726 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C[C@H]2[NH2+]CCO)cn1 ZINC001087007396 816443318 /nfs/dbraw/zinc/44/33/18/816443318.db2.gz BJPAWEMRDXALAI-JZXOWHBKSA-N 2 0 347.463 -0.218 20 0 EBADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001087010293 816444538 /nfs/dbraw/zinc/44/45/38/816444538.db2.gz URBLWENIYGPABL-VNQPRFMTSA-N 2 0 335.452 -0.219 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001087009379 816445077 /nfs/dbraw/zinc/44/50/77/816445077.db2.gz CKUPKSBUIVMORM-VHDGCEQUSA-N 2 0 348.451 -0.726 20 0 EBADRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](C[C@@H]1CCC(=O)N1)C2 ZINC001272525706 816459864 /nfs/dbraw/zinc/45/98/64/816459864.db2.gz XJBSWIFNMUMHFL-YOEHRIQHSA-N 2 0 338.452 -0.623 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@H](CC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001272555336 816473140 /nfs/dbraw/zinc/47/31/40/816473140.db2.gz JNWXQGVNVIFTJX-HNNXBMFYSA-N 2 0 340.468 -0.375 20 0 EBADRP CCNC(=O)CN1C[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273029323 816570560 /nfs/dbraw/zinc/57/05/60/816570560.db2.gz AUGHWFHYSFHLPO-QGZVFWFLSA-N 2 0 338.452 -0.575 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCNS(C)(=O)=O)CCC1 ZINC001273055936 816573904 /nfs/dbraw/zinc/57/39/04/816573904.db2.gz OTIIEQQCLNPHBF-LBPRGKRZSA-N 2 0 332.470 -0.742 20 0 EBADRP O=C(C[N@H+]1CC[C@H](O)C1)N1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001273069911 816576908 /nfs/dbraw/zinc/57/69/08/816576908.db2.gz MNLQMQAKVHFDHC-INIZCTEOSA-N 2 0 347.463 -0.126 20 0 EBADRP O=C(C[N@H+]1CC[C@@H](O)C1)N1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001273069912 816577630 /nfs/dbraw/zinc/57/76/30/816577630.db2.gz MNLQMQAKVHFDHC-MRXNPFEDSA-N 2 0 347.463 -0.126 20 0 EBADRP CN(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@H](O)C1)CC2 ZINC001273069944 816579402 /nfs/dbraw/zinc/57/94/02/816579402.db2.gz NQIMJTIJVHSVSM-INIZCTEOSA-N 2 0 338.496 -0.071 20 0 EBADRP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001273238148 816615099 /nfs/dbraw/zinc/61/50/99/816615099.db2.gz WBSRGWYFOVROHJ-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCNC4=O)CC[C@@H]3C2)CC1 ZINC001088090459 816624866 /nfs/dbraw/zinc/62/48/66/816624866.db2.gz PWXUKRKOWUWBFG-OWCLPIDISA-N 2 0 334.464 -0.003 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC4CC4)CC[C@@H]3C2)C1 ZINC001088200260 816647333 /nfs/dbraw/zinc/64/73/33/816647333.db2.gz VMXKDBHHYVUKBY-KFWWJZLASA-N 2 0 334.464 -0.003 20 0 EBADRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](CCn1ccnc1)C2 ZINC001273784549 816760013 /nfs/dbraw/zinc/76/00/13/816760013.db2.gz DREUUPPVFKUYCE-KRWDZBQOSA-N 2 0 335.452 -0.004 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC001088984101 816775201 /nfs/dbraw/zinc/77/52/01/816775201.db2.gz HGEBRRWOALEGBM-OAGGEKHMSA-N 2 0 347.463 -0.081 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@H]1CCC(=O)NC1=O ZINC001274076494 816862434 /nfs/dbraw/zinc/86/24/34/816862434.db2.gz PSTVGDDQJYMFIZ-PUWCWTCHSA-N 2 0 336.436 -0.072 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[NH+](CCO)CC3(CCOCC3)C2)C1 ZINC001089969484 816958168 /nfs/dbraw/zinc/95/81/68/816958168.db2.gz UFEQQYXYVNIWGO-HUUCEWRRSA-N 2 0 325.453 -0.082 20 0 EBADRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1c[nH]ccc1=O)C2 ZINC001274453092 816965860 /nfs/dbraw/zinc/96/58/60/816965860.db2.gz RBKVMDFZMVPFDB-SFHVURJKSA-N 2 0 348.447 -0.013 20 0 EBADRP CC[NH+](CC)C[C@H](O)CN1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274656893 817060849 /nfs/dbraw/zinc/06/08/49/817060849.db2.gz SNYFRMPDJYMPNS-HNNXBMFYSA-N 2 0 342.484 -0.836 20 0 EBADRP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]CCN1C(=O)CCC1=O ZINC001275471570 817225690 /nfs/dbraw/zinc/22/56/90/817225690.db2.gz SWUGLJKXSLRBNU-STQMWFEESA-N 2 0 338.452 -0.040 20 0 EBADRP C[C@H](C[N@H+](C)CCN1C(=O)CNC1=O)NC(=O)C[NH+](C)C1CCC1 ZINC001275574141 817253528 /nfs/dbraw/zinc/25/35/28/817253528.db2.gz OYYJKZYWCVDAKI-GFCCVEGCSA-N 2 0 339.440 -0.541 20 0 EBADRP C[C@@H](C[N@H+](C)[C@@H]1CCC(=O)NC1=O)NC(=O)CC1CC[NH+](C)CC1 ZINC001275665281 817267480 /nfs/dbraw/zinc/26/74/80/817267480.db2.gz GLAWDDYEQNPFLH-GXTWGEPZSA-N 2 0 338.452 -0.040 20 0 EBADRP C[C@H](C[N@H+](C)CCN1C(=O)CNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001275697049 817274587 /nfs/dbraw/zinc/27/45/87/817274587.db2.gz CTTJRTVAUPJFFW-GFCCVEGCSA-N 2 0 337.424 -0.930 20 0 EBADRP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)CCN1C(=O)CNC1=O ZINC001275904703 817310465 /nfs/dbraw/zinc/31/04/65/817310465.db2.gz NBUDZYLEPNFDPF-OLZOCXBDSA-N 2 0 339.440 -0.541 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001276071393 817353022 /nfs/dbraw/zinc/35/30/22/817353022.db2.gz RYKSYJXIPLWVTQ-CQSZACIVSA-N 2 0 342.484 -0.083 20 0 EBADRP O=C(N[C@H]1CC[N@@H+](CCO)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001090425108 817391133 /nfs/dbraw/zinc/39/11/33/817391133.db2.gz KWHRCUPOYYUPFZ-DZGCQCFKSA-N 2 0 331.376 -0.575 20 0 EBADRP O=C(Cn1cccnc1=O)N1CCC12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001276708751 817457214 /nfs/dbraw/zinc/45/72/14/817457214.db2.gz AYRSDUDGKWXULP-UHFFFAOYSA-N 2 0 331.420 -0.470 20 0 EBADRP Cn1ncnc1C(=O)N1C[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H](C1)O2 ZINC001276709489 817458224 /nfs/dbraw/zinc/45/82/24/817458224.db2.gz KKTRETDNZKJFHX-OKILXGFUSA-N 2 0 334.424 -0.660 20 0 EBADRP Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)cn1 ZINC001090536226 817518372 /nfs/dbraw/zinc/51/83/72/817518372.db2.gz CGAZEMGIJOHCDU-IRXDYDNUSA-N 2 0 349.479 -0.144 20 0 EBADRP Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090537372 817519692 /nfs/dbraw/zinc/51/96/92/817519692.db2.gz KBOKHLYAXXXNOP-SJORKVTESA-N 2 0 349.479 -0.144 20 0 EBADRP Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090537370 817519851 /nfs/dbraw/zinc/51/98/51/817519851.db2.gz KBOKHLYAXXXNOP-IAGOWNOFSA-N 2 0 349.479 -0.144 20 0 EBADRP CS(=O)(=O)CCC[NH2+]C[C@H]1C[C@H](NC(=O)Cn2ccnc2)C1 ZINC001277092868 817519939 /nfs/dbraw/zinc/51/99/39/817519939.db2.gz PUMYVFVJDSICML-JOCQHMNTSA-N 2 0 328.438 -0.198 20 0 EBADRP COCCOC[C@H](O)CN1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001277617306 817609618 /nfs/dbraw/zinc/60/96/18/817609618.db2.gz FQLXFBFTCUQNSH-HZPDHXFCSA-N 2 0 343.468 -0.363 20 0 EBADRP CN(C)C(=O)CNC(=O)c1[nH]nc2c1CCN(CC1CC[NH2+]CC1)C2 ZINC001277821077 817640425 /nfs/dbraw/zinc/64/04/25/817640425.db2.gz CLKVZBVVBCUOKK-UHFFFAOYSA-N 2 0 348.451 -0.415 20 0 EBADRP CC(=O)NCCOCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001277824114 817641552 /nfs/dbraw/zinc/64/15/52/817641552.db2.gz TWHBESDYWIQCER-HOTGVXAUSA-N 2 0 340.468 -0.186 20 0 EBADRP CCC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001277994923 817671075 /nfs/dbraw/zinc/67/10/75/817671075.db2.gz KYTGEQNURWXOQW-CHWSQXEVSA-N 2 0 326.441 -0.040 20 0 EBADRP O=C(N[C@@H]1CC[N@@H+](CCO)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001090708437 817682101 /nfs/dbraw/zinc/68/21/01/817682101.db2.gz SFVBXINANGCFBM-HZPDHXFCSA-N 2 0 325.453 -0.348 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCNC(=O)NC(C)(C)C ZINC001278053223 817687894 /nfs/dbraw/zinc/68/78/94/817687894.db2.gz DIVYZYSJJOTRQU-CHWSQXEVSA-N 2 0 343.472 -0.755 20 0 EBADRP C[NH+]1CCN(CCC[N@@H+]2C[C@@H]3COC[C@H](C2)N3Cc2cn[nH]c2)CC1 ZINC001278117596 817703732 /nfs/dbraw/zinc/70/37/32/817703732.db2.gz UGYWMHLRBIDNJB-HDICACEKSA-N 2 0 348.495 -0.068 20 0 EBADRP Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090729801 817705376 /nfs/dbraw/zinc/70/53/76/817705376.db2.gz AFKLFVKDWGLYJR-CVEARBPZSA-N 2 0 347.463 -0.390 20 0 EBADRP Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](O)C2)cc1=O ZINC001090818408 817774380 /nfs/dbraw/zinc/77/43/80/817774380.db2.gz VGWFYLVOJXRODY-HZPDHXFCSA-N 2 0 348.447 -0.468 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C(C)(C)C1 ZINC001278691090 817795527 /nfs/dbraw/zinc/79/55/27/817795527.db2.gz XBVJMUZPAJDEMD-STQMWFEESA-N 2 0 338.452 -0.042 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]CC(=O)N1CCCCC1 ZINC001279672643 817967028 /nfs/dbraw/zinc/96/70/28/817967028.db2.gz KMYFRXFQRLFICT-HNNXBMFYSA-N 2 0 340.468 -0.496 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[C@@H](CC[NH2+]CC(N)=O)C1 ZINC001280094196 818018807 /nfs/dbraw/zinc/01/88/07/818018807.db2.gz JQKTUGOYWGBTSL-CQSZACIVSA-N 2 0 340.468 -0.342 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001280273791 818030320 /nfs/dbraw/zinc/03/03/20/818030320.db2.gz JGHQQSQOEQWSNK-GFCCVEGCSA-N 2 0 327.429 -0.649 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC(O)(C[NH2+]CCn2cncn2)CC1 ZINC001281634675 818238558 /nfs/dbraw/zinc/23/85/58/818238558.db2.gz NHRHOEVNVIGAAX-UHFFFAOYSA-N 2 0 338.456 -0.437 20 0 EBADRP COCCCC[NH+]1CCC(CO)(NC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001281799248 818280271 /nfs/dbraw/zinc/28/02/71/818280271.db2.gz BRXSIWJOGVNXSM-OAHLLOKOSA-N 2 0 343.468 -0.313 20 0 EBADRP CN(C[C@H]1CCN1C(=O)COCC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001282025575 818335623 /nfs/dbraw/zinc/33/56/23/818335623.db2.gz HXHCLXXDDRARNG-HUUCEWRRSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)CCN1C(=O)CNC1=O ZINC001282412312 818408116 /nfs/dbraw/zinc/40/81/16/818408116.db2.gz NBUDZYLEPNFDPF-QWHCGFSZSA-N 2 0 339.440 -0.541 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCOCCC[NH2+][C@H]1CCCNC1=O ZINC001283471560 818821306 /nfs/dbraw/zinc/82/13/06/818821306.db2.gz GNFZXFSMUPIRLQ-KBPBESRZSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@H](CN(C)C(=O)C[NH+]1CCC(C)CC1)[NH2+]CCNS(C)(=O)=O ZINC001283692574 818907250 /nfs/dbraw/zinc/90/72/50/818907250.db2.gz RQKJANAWXOYXSL-CQSZACIVSA-N 2 0 348.513 -0.296 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@H]1CCN(C(=O)COCC[NH+](C)C)C1)[NH+](C)C ZINC001283878877 819015008 /nfs/dbraw/zinc/01/50/08/819015008.db2.gz FYIWFXQEFPPAFT-HOCLYGCPSA-N 2 0 342.484 -0.132 20 0 EBADRP C[C@H]1C[C@H]([NH2+]CCCS(=O)(=O)N(C)C)CN1C(=O)CC[NH+](C)C ZINC001284001625 819058080 /nfs/dbraw/zinc/05/80/80/819058080.db2.gz CDRQOTDOZAINMV-KBPBESRZSA-N 2 0 348.513 -0.201 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH+](CCO)CC(N)=O)CC1 ZINC001098368830 819154998 /nfs/dbraw/zinc/15/49/98/819154998.db2.gz IWZWDCJOHAIRMX-OAHLLOKOSA-N 2 0 340.468 -0.370 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N1CCC([N@H+](CCO)CC(N)=O)CC1 ZINC001098384397 819162384 /nfs/dbraw/zinc/16/23/84/819162384.db2.gz SYAGNKMUTHPTLE-AWEZNQCLSA-N 2 0 346.447 -0.563 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH+](CCO)CC(=O)NC)CC1 ZINC001098410266 819175235 /nfs/dbraw/zinc/17/52/35/819175235.db2.gz LELWEZKNLYEXHV-UHFFFAOYSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[C@@H](C(=O)N1C[C@H]([NH2+]CCNS(C)(=O)=O)C(C)(C)C1)[NH+](C)C ZINC001284336816 819188439 /nfs/dbraw/zinc/18/84/39/819188439.db2.gz VSAIUEPCTJLWIK-STQMWFEESA-N 2 0 348.513 -0.298 20 0 EBADRP CNC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001098472033 819206246 /nfs/dbraw/zinc/20/62/46/819206246.db2.gz SEZWGLPCIZOOQL-MRXNPFEDSA-N 2 0 342.484 -0.396 20 0 EBADRP C[C@@H](O)C[N@H+](CCO)C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001098533083 819234892 /nfs/dbraw/zinc/23/48/92/819234892.db2.gz RNUUOAXKYPTJME-CQSZACIVSA-N 2 0 331.457 -0.769 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[NH+](CCn2cncn2)C[C@@H]1O ZINC001099899498 819868471 /nfs/dbraw/zinc/86/84/71/819868471.db2.gz UHIXMILAFCEINX-KGLIPLIRSA-N 2 0 338.456 -0.440 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[NH+](CCn2cncn2)C[C@@H]1O ZINC001099899497 819869434 /nfs/dbraw/zinc/86/94/34/819869434.db2.gz UHIXMILAFCEINX-KBPBESRZSA-N 2 0 338.456 -0.440 20 0 EBADRP CN(C(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001286033972 819878582 /nfs/dbraw/zinc/87/85/82/819878582.db2.gz TXCIUOFEHSGPAG-UHFFFAOYSA-N 2 0 340.468 -0.424 20 0 EBADRP Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)cn1 ZINC001099971955 819975103 /nfs/dbraw/zinc/97/51/03/819975103.db2.gz OQKGCYVBFFBXBM-CVEARBPZSA-N 2 0 349.479 -0.144 20 0 EBADRP COCCOCC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099972141 819977075 /nfs/dbraw/zinc/97/70/75/819977075.db2.gz RXHKURYQASGJSC-HUUCEWRRSA-N 2 0 343.468 -0.457 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001099986421 819992489 /nfs/dbraw/zinc/99/24/89/819992489.db2.gz KKHBXFGCBZECEH-KGLIPLIRSA-N 2 0 326.441 -0.888 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CC[NH+](CCOCCO)C[C@@H]2O)C1 ZINC001100009185 820024000 /nfs/dbraw/zinc/02/40/00/820024000.db2.gz UFZNRLRMHHZMCN-CABCVRRESA-N 2 0 343.468 -0.721 20 0 EBADRP CN(CCOCCNC(=O)C[NH+]1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001287407366 820041937 /nfs/dbraw/zinc/04/19/37/820041937.db2.gz CBUILCVIXGQQPQ-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001100041918 820109695 /nfs/dbraw/zinc/10/96/95/820109695.db2.gz QBEBXMSBGLSFGB-GJZGRUSLSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001100042091 820110523 /nfs/dbraw/zinc/11/05/23/820110523.db2.gz SVJKANXWZDZLNZ-HZPDHXFCSA-N 2 0 337.468 -0.144 20 0 EBADRP C[NH+]1CCC(OCC(=O)N[C@H]2CC[N@H+](CCCO)C[C@@H]2O)CC1 ZINC001100050591 820125969 /nfs/dbraw/zinc/12/59/69/820125969.db2.gz KRRREVHAKGCYLZ-GJZGRUSLSA-N 2 0 329.441 -0.969 20 0 EBADRP COCCCC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074499 820166067 /nfs/dbraw/zinc/16/60/67/820166067.db2.gz OSTHFCMOBYTTMA-CABCVRRESA-N 2 0 331.457 -0.457 20 0 EBADRP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100081494 820180670 /nfs/dbraw/zinc/18/06/70/820180670.db2.gz TVEVCWWREHNHRR-LSDHHAIUSA-N 2 0 331.457 -0.721 20 0 EBADRP COCCCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001100185904 820306482 /nfs/dbraw/zinc/30/64/82/820306482.db2.gz RURZNYQZOQGNAQ-YMAMQOFZSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001289077048 820366597 /nfs/dbraw/zinc/36/65/97/820366597.db2.gz OZPAMBGQECMSBB-RRFJBIMHSA-N 2 0 340.468 -0.642 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001100408188 820406926 /nfs/dbraw/zinc/40/69/26/820406926.db2.gz XWDXIOXUOJRNFB-MMWSSPAHSA-N 2 0 339.440 -0.733 20 0 EBADRP C[C@@H](COCC(=O)NCC1CC([NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001100686700 820512208 /nfs/dbraw/zinc/51/22/08/820512208.db2.gz NLGLZTMHVQTLFS-HSBZDZAISA-N 2 0 326.441 -0.543 20 0 EBADRP COC[C@H](O)C[NH2+]C1CC(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001100803674 820558037 /nfs/dbraw/zinc/55/80/37/820558037.db2.gz CJTWEFJYGNPVEX-YMAMQOFZSA-N 2 0 343.468 -0.411 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+]CC(=O)NC(=O)NC)C1 ZINC001100830030 820564736 /nfs/dbraw/zinc/56/47/36/820564736.db2.gz YIDUVBHYIRJEGI-UHFFFAOYSA-N 2 0 327.429 -0.732 20 0 EBADRP CN1CCC[C@@H]([NH2+]C2CC(CNC(=O)COCC[NH+](C)C)C2)C1=O ZINC001100870576 820585397 /nfs/dbraw/zinc/58/53/97/820585397.db2.gz JQXUXZIPDJYQCJ-YMAMQOFZSA-N 2 0 340.468 -0.330 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCC2CC([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001100872972 820586147 /nfs/dbraw/zinc/58/61/47/820586147.db2.gz PYEBNDRJFUMGCD-IYXRBSQSSA-N 2 0 346.497 -0.638 20 0 EBADRP C[C@H]([NH2+]C1CC(CNC(=O)CCCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001100887947 820592099 /nfs/dbraw/zinc/59/20/99/820592099.db2.gz YJFXDURQLIELRY-HIFPTAJRSA-N 2 0 341.456 -0.214 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001100980688 820630851 /nfs/dbraw/zinc/63/08/51/820630851.db2.gz BPHVXZZVHDBQPP-OTTFEQOBSA-N 2 0 339.440 -0.732 20 0 EBADRP CN1CCC[C@@H]1c1cc(C(=O)NCCNC(=O)CC[NH+](C)C)[nH]n1 ZINC001292842835 820631112 /nfs/dbraw/zinc/63/11/12/820631112.db2.gz AXNGKPRAQLCELZ-CQSZACIVSA-N 2 0 336.440 -0.026 20 0 EBADRP CCOCCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001100982472 820631798 /nfs/dbraw/zinc/63/17/98/820631798.db2.gz VWHUXRLLURWCHM-SHARSMKWSA-N 2 0 340.468 -0.425 20 0 EBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001100986599 820633203 /nfs/dbraw/zinc/63/32/03/820633203.db2.gz WKHJJHJNTBJPIY-IYXRBSQSSA-N 2 0 326.441 -0.815 20 0 EBADRP O=C(C[NH+]1CCCC1)NCC1CC([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001100984603 820633234 /nfs/dbraw/zinc/63/32/34/820633234.db2.gz OJXYYZKKXCRESG-GPANFISMSA-N 2 0 335.452 -0.176 20 0 EBADRP C[NH+](C)CCCC(=O)N1C[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101344808 820760311 /nfs/dbraw/zinc/76/03/11/820760311.db2.gz FCRBEJTVWOFJFE-WBMJQRKESA-N 2 0 339.440 -0.697 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461615 820797115 /nfs/dbraw/zinc/79/71/15/820797115.db2.gz KXFMQILWESGUKB-VYDXJSESSA-N 2 0 325.453 -0.130 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H](N(C)C(=O)COCC[NH+](C)C)C1)[NH+](C)C ZINC001293683644 820809318 /nfs/dbraw/zinc/80/93/18/820809318.db2.gz BGUWIWVZBUWXHJ-LSDHHAIUSA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320476 821069376 /nfs/dbraw/zinc/06/93/76/821069376.db2.gz DUJWYHNBWPBVDW-OAGGEKHMSA-N 2 0 337.468 -0.120 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320774 821070465 /nfs/dbraw/zinc/07/04/65/821070465.db2.gz SLQDOMILPGRESR-IJLUTSLNSA-N 2 0 327.429 -0.794 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102475304 821118803 /nfs/dbraw/zinc/11/88/03/821118803.db2.gz IAEBNHSXQYFFJV-MGPQQGTHSA-N 2 0 338.452 -0.183 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1C ZINC001102497246 821126153 /nfs/dbraw/zinc/12/61/53/821126153.db2.gz IRBGFABNQHLHOF-ZIAGYGMSSA-N 2 0 348.513 -0.439 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](CC(N)=O)C[C@H]2C)C1 ZINC001103365275 821298961 /nfs/dbraw/zinc/29/89/61/821298961.db2.gz WQOIJDQMLKIKRA-RBSFLKMASA-N 2 0 340.468 -0.345 20 0 EBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CCC[NH+](C)C ZINC001103378684 821302917 /nfs/dbraw/zinc/30/29/17/821302917.db2.gz FGKOLMPWWOIXKJ-CHWSQXEVSA-N 2 0 341.456 -0.403 20 0 EBADRP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398265 821307529 /nfs/dbraw/zinc/30/75/29/821307529.db2.gz KTZIZWXOZBBOQN-CHWSQXEVSA-N 2 0 341.456 -0.532 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1CC[NH2+]CCO ZINC001104433641 821497739 /nfs/dbraw/zinc/49/77/39/821497739.db2.gz PITSRCVTDYFHNL-MYPHYYIGSA-N 2 0 337.464 -0.084 20 0 EBADRP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)C(N)=O ZINC001104908509 821564211 /nfs/dbraw/zinc/56/42/11/821564211.db2.gz ZSHSAZVBAZSUMY-HZSPNIEDSA-N 2 0 328.457 -0.487 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001104908080 821564428 /nfs/dbraw/zinc/56/44/28/821564428.db2.gz IJEOWPFYHBGCLH-QLFBSQMISA-N 2 0 342.484 -0.227 20 0 EBADRP C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001105243136 821642149 /nfs/dbraw/zinc/64/21/49/821642149.db2.gz XNTFRVAKRMKYFO-YWPYICTPSA-N 2 0 336.440 -0.528 20 0 EBADRP C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001105268356 821658431 /nfs/dbraw/zinc/65/84/31/821658431.db2.gz KWRTYTQGICAQKK-IUODEOHRSA-N 2 0 336.440 -0.384 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC(n3cc(C[NH2+]CCCO)nn3)C2)C1 ZINC001105326657 821692621 /nfs/dbraw/zinc/69/26/21/821692621.db2.gz AQJDWYDGUGWEFB-CYBMUJFWSA-N 2 0 336.440 -0.525 20 0 EBADRP CC(C)[C@@H](C)NC(=O)C[N@H+](C)CCCNC(=O)[C@H]1CN(C)CCO1 ZINC001316819047 821866598 /nfs/dbraw/zinc/86/65/98/821866598.db2.gz DFXUYIDNDWULLL-HUUCEWRRSA-N 2 0 342.484 -0.084 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)[C@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001316823607 821870058 /nfs/dbraw/zinc/87/00/58/821870058.db2.gz GIUYMPHQUGRMKE-MJBXVCDLSA-N 2 0 338.452 -0.040 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317062036 821990114 /nfs/dbraw/zinc/99/01/14/821990114.db2.gz UJJOFUWEYRWTPO-QLFBSQMISA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]([NH2+]CCNS(C)(=O)=O)C2)CC1 ZINC001317087086 821999909 /nfs/dbraw/zinc/99/99/09/821999909.db2.gz SVQAZZPCCAYBEX-HDJSIYSDSA-N 2 0 346.497 -0.496 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCN1C(=O)CNC1=O ZINC001317263308 822053430 /nfs/dbraw/zinc/05/34/30/822053430.db2.gz GBXRVGKOFGZPNA-AVGNSLFASA-N 2 0 339.440 -0.637 20 0 EBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCS(=O)(=O)N(C)C ZINC001317289308 822066572 /nfs/dbraw/zinc/06/65/72/822066572.db2.gz MELIRLUUMIZISQ-OLZOCXBDSA-N 2 0 334.486 -0.686 20 0 EBADRP COCCOC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001317307678 822078023 /nfs/dbraw/zinc/07/80/23/822078023.db2.gz LKQFPSOEBJVZKF-GJZGRUSLSA-N 2 0 341.452 -0.703 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001317331723 822085696 /nfs/dbraw/zinc/08/56/96/822085696.db2.gz UITNPOFNDXSDPI-CHWSQXEVSA-N 2 0 337.424 -0.930 20 0 EBADRP C[NH+](C)CCC(=O)NCCC[C@H]1CCC[N@@H+]1CC(=O)NC(N)=O ZINC001317437115 822108068 /nfs/dbraw/zinc/10/80/68/822108068.db2.gz UECJKIYDAZMEEG-LBPRGKRZSA-N 2 0 327.429 -0.506 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)CCN1C(=O)CNC1=O ZINC001317471899 822124397 /nfs/dbraw/zinc/12/43/97/822124397.db2.gz QTZIIPNWUTVWPJ-CYBMUJFWSA-N 2 0 339.440 -0.539 20 0 EBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001106602557 822295347 /nfs/dbraw/zinc/29/53/47/822295347.db2.gz OEGMXKOOUIGLHK-JHJVBQTASA-N 2 0 341.456 -0.404 20 0 EBADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C)C(N)=O ZINC001106808703 822333927 /nfs/dbraw/zinc/33/39/27/822333927.db2.gz UNNBVVOELMBCJJ-HZSPNIEDSA-N 2 0 340.468 -0.345 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001106880842 822347388 /nfs/dbraw/zinc/34/73/88/822347388.db2.gz ONZGITIIXLVCKP-KFWWJZLASA-N 2 0 340.468 -0.521 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001128533114 828470935 /nfs/dbraw/zinc/47/09/35/828470935.db2.gz GYESZBRQTYTPMR-CQSZACIVSA-N 2 0 346.447 -0.333 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001128533082 828471027 /nfs/dbraw/zinc/47/10/27/828471027.db2.gz GBDFFGUADHSFMU-STQMWFEESA-N 2 0 337.461 -0.193 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001128543074 828472310 /nfs/dbraw/zinc/47/23/10/828472310.db2.gz BKBGILHAYLSWGH-NSHDSACASA-N 2 0 329.376 -0.001 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCCCOC ZINC001128774061 828524842 /nfs/dbraw/zinc/52/48/42/828524842.db2.gz KBOSVPVVXAXYOK-AWEZNQCLSA-N 2 0 328.457 -0.281 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106981382 823712544 /nfs/dbraw/zinc/71/25/44/823712544.db2.gz MAQJHYSQNMBJMV-FRRDWIJNSA-N 2 0 339.440 -0.922 20 0 EBADRP O=C(C[NH+]1CCCC1)NCc1cn(C2C[NH+](C[C@@H]3CCOC3)C2)nn1 ZINC001107236481 823821534 /nfs/dbraw/zinc/82/15/34/823821534.db2.gz YBZAHFFMLRGYAR-AWEZNQCLSA-N 2 0 348.451 -0.117 20 0 EBADRP Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)C3([NH+](C)C)CCC3)C2=O)n1 ZINC001129363479 828604693 /nfs/dbraw/zinc/60/46/93/828604693.db2.gz HAESUWATGQJXAW-ZDUSSCGKSA-N 2 0 348.451 -0.285 20 0 EBADRP C[NH+](C)C1(C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)CCC1 ZINC001129358678 828604859 /nfs/dbraw/zinc/60/48/59/828604859.db2.gz WGTYCUOACYXDNO-UHFFFAOYSA-N 2 0 325.413 -0.835 20 0 EBADRP C[NH+](C)C1(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)CCC1 ZINC001129356822 828605132 /nfs/dbraw/zinc/60/51/32/828605132.db2.gz IRZLIJKTEPZWAI-ZDUSSCGKSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C1([NH+](C)C)CCC1)C(=O)Nc1ncccn1 ZINC001129356256 828605137 /nfs/dbraw/zinc/60/51/37/828605137.db2.gz DYGLEWZFLYDKFP-LBPRGKRZSA-N 2 0 334.424 -0.006 20 0 EBADRP CC[C@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)C(N)=O ZINC001129364335 828605727 /nfs/dbraw/zinc/60/57/27/828605727.db2.gz SMNSFQHFFSFSKT-UONOGXRCSA-N 2 0 326.441 -0.401 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129364843 828605812 /nfs/dbraw/zinc/60/58/12/828605812.db2.gz ZXKBZUZOFZKQSA-ZDUSSCGKSA-N 2 0 328.457 -0.282 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129429449 828617778 /nfs/dbraw/zinc/61/77/78/828617778.db2.gz GNMHKRORVFIICA-CQSZACIVSA-N 2 0 346.497 -0.352 20 0 EBADRP O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430035 828617782 /nfs/dbraw/zinc/61/77/82/828617782.db2.gz NCRRMSORDRTNOI-KGLIPLIRSA-N 2 0 336.436 -0.096 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129435814 828618291 /nfs/dbraw/zinc/61/82/91/828618291.db2.gz JHUOHUKJZSFBQA-ZYHUDNBSSA-N 2 0 327.429 -0.733 20 0 EBADRP COCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433621 828618844 /nfs/dbraw/zinc/61/88/44/828618844.db2.gz JFVILVVUEYQPDH-ZNMIVQPWSA-N 2 0 336.440 -0.392 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CCN1CCCS1(=O)=O)C1CC1 ZINC001129435488 828619161 /nfs/dbraw/zinc/61/91/61/828619161.db2.gz GUEKGSQBNKMPPY-CYBMUJFWSA-N 2 0 332.470 -0.932 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)n(C)n1 ZINC001129455794 828622256 /nfs/dbraw/zinc/62/22/56/828622256.db2.gz XFDLJHYWSODDFJ-HNNXBMFYSA-N 2 0 336.440 -0.287 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129526311 828630994 /nfs/dbraw/zinc/63/09/94/828630994.db2.gz AOAJVTMCCUBUBL-NSHDSACASA-N 2 0 327.429 -0.589 20 0 EBADRP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673905 824582585 /nfs/dbraw/zinc/58/25/85/824582585.db2.gz TVVUMZUIXAUSLD-PMPSAXMXSA-N 2 0 340.468 -0.188 20 0 EBADRP COCCOC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673319 824583128 /nfs/dbraw/zinc/58/31/28/824583128.db2.gz IPAAZLSSQZEWQO-UGUYLWEFSA-N 2 0 343.468 -0.317 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC001129840759 828680054 /nfs/dbraw/zinc/68/00/54/828680054.db2.gz IYXRLQFXLKJTEX-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129849628 828681195 /nfs/dbraw/zinc/68/11/95/828681195.db2.gz NWHVDXKWJCGRNM-OLZOCXBDSA-N 2 0 341.456 -0.199 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001110979709 824825514 /nfs/dbraw/zinc/82/55/14/824825514.db2.gz ADJSIRAIRPFQDB-MCIONIFRSA-N 2 0 336.436 -0.191 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1)[NH+](C)C ZINC001129947172 828698664 /nfs/dbraw/zinc/69/86/64/828698664.db2.gz MSQDIYOWODJXRM-ZFWWWQNUSA-N 2 0 328.457 -0.426 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129950761 828699408 /nfs/dbraw/zinc/69/94/08/828699408.db2.gz ZRAVBFAXYXLSTL-STQMWFEESA-N 2 0 343.472 -0.099 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129949567 828699495 /nfs/dbraw/zinc/69/94/95/828699495.db2.gz FZTTZBJVTKIQSG-AWEZNQCLSA-N 2 0 343.472 -0.240 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCO[C@H](C)C1)[NH+](C)C ZINC001129950182 828699588 /nfs/dbraw/zinc/69/95/88/828699588.db2.gz NZXQBQNEEUMOSD-HIFRSBDPSA-N 2 0 328.457 -0.474 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1)[NH+](C)C ZINC001129950429 828699749 /nfs/dbraw/zinc/69/97/49/828699749.db2.gz TWRNDQXDNBGLTO-HIFRSBDPSA-N 2 0 328.457 -0.569 20 0 EBADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1n1ccnn1 ZINC001129983321 828707438 /nfs/dbraw/zinc/70/74/38/828707438.db2.gz XEWIUFJIXHLGCI-MJBXVCDLSA-N 2 0 336.440 -0.658 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]C[C@@H](C)OC)[C@@H](n2ccnn2)C1 ZINC001130047554 828721968 /nfs/dbraw/zinc/72/19/68/828721968.db2.gz GSMHBOYNVBEONO-KFWWJZLASA-N 2 0 338.456 -0.004 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1 ZINC001111280398 825044486 /nfs/dbraw/zinc/04/44/86/825044486.db2.gz WLKOYGWNJPBZCE-KFWWJZLASA-N 2 0 336.440 -0.422 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@@H](C)OC)[C@@H](n2ccnn2)C1 ZINC001130081492 828729618 /nfs/dbraw/zinc/72/96/18/828729618.db2.gz RNHRSFOBJYNPTI-KFWWJZLASA-N 2 0 338.456 -0.004 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130189603 828752325 /nfs/dbraw/zinc/75/23/25/828752325.db2.gz QJAUYVPHABOCHE-JKSUJKDBSA-N 2 0 340.468 -0.138 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)Nc1ccccc1C(N)=O)[NH+](C)C ZINC001130203683 828754736 /nfs/dbraw/zinc/75/47/36/828754736.db2.gz TVIHSRJXTRWJMM-CQSZACIVSA-N 2 0 349.435 -0.230 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)NCC(=O)NC(C)(C)C)[NH+](C)C ZINC001130203397 828754926 /nfs/dbraw/zinc/75/49/26/828754926.db2.gz KFMFWFFAJYGISD-GFCCVEGCSA-N 2 0 343.472 -0.937 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NCC(C)C)[NH+](C)C ZINC001130205837 828756086 /nfs/dbraw/zinc/75/60/86/828756086.db2.gz YEXZHZILAVELBS-GFCCVEGCSA-N 2 0 329.445 -0.486 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130230460 828761647 /nfs/dbraw/zinc/76/16/47/828761647.db2.gz LUPRSLAOFDLKAI-UHFFFAOYSA-N 2 0 342.484 -0.083 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1nncs1 ZINC001130296679 828775955 /nfs/dbraw/zinc/77/59/55/828775955.db2.gz AQDSDPNJZHLFLE-JTQLQIEISA-N 2 0 326.426 -0.333 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130298161 828777182 /nfs/dbraw/zinc/77/71/82/828777182.db2.gz XHUVCMFITQVZEP-NEPJUHHUSA-N 2 0 327.429 -0.589 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130305859 828777785 /nfs/dbraw/zinc/77/77/85/828777785.db2.gz NCIRZRWKOWDXAW-KBPBESRZSA-N 2 0 328.457 -0.282 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001130303421 828777886 /nfs/dbraw/zinc/77/78/86/828777886.db2.gz CALNWQWXBBTEAG-LBPRGKRZSA-N 2 0 325.413 -0.882 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001130303681 828778442 /nfs/dbraw/zinc/77/84/42/828778442.db2.gz GUYFXYPNYDBAQE-HOCLYGCPSA-N 2 0 343.468 -0.267 20 0 EBADRP CNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCC[NH+](C)C)C2 ZINC001112563053 825457167 /nfs/dbraw/zinc/45/71/67/825457167.db2.gz CPIAUKIMBFXKDF-YOEHRIQHSA-N 2 0 340.468 -0.471 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001211091785 837385240 /nfs/dbraw/zinc/38/52/40/837385240.db2.gz OQMVBGYHEBCFGD-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1C ZINC001179766649 833009075 /nfs/dbraw/zinc/00/90/75/833009075.db2.gz WRQULSOXEZCEGL-STQMWFEESA-N 2 0 334.486 -0.544 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001114360825 826215079 /nfs/dbraw/zinc/21/50/79/826215079.db2.gz FRYOUBXXYOXNHW-SFDCQRBFSA-N 2 0 328.432 -0.199 20 0 EBADRP C[NH+](C)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H](O)Cn4cccn4)C[C@H]32)CCC1 ZINC001114403574 826235598 /nfs/dbraw/zinc/23/55/98/826235598.db2.gz UTDGOYWVYZIXPS-WCVJEAGWSA-N 2 0 347.463 -0.225 20 0 EBADRP C[NH+](C)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H](O)Cn4cccn4)C[C@H]32)CCC1 ZINC001114403571 826235735 /nfs/dbraw/zinc/23/57/35/826235735.db2.gz UTDGOYWVYZIXPS-CAOSSQGBSA-N 2 0 347.463 -0.225 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001114425898 826244210 /nfs/dbraw/zinc/24/42/10/826244210.db2.gz IHAMCTVSLYBHQG-AIANPOQGSA-N 2 0 349.479 -0.068 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001179925524 833027001 /nfs/dbraw/zinc/02/70/01/833027001.db2.gz PTCQTRJEKJATHW-SRVKXCTJSA-N 2 0 325.413 -0.898 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1C ZINC001179979130 833031589 /nfs/dbraw/zinc/03/15/89/833031589.db2.gz QXZOCDNLXGOEFC-KBPBESRZSA-N 2 0 348.513 -0.154 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001180131648 833045391 /nfs/dbraw/zinc/04/53/91/833045391.db2.gz JZJPCRVSOWDUSN-HOCLYGCPSA-N 2 0 340.468 -0.186 20 0 EBADRP Cn1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)COCC[NH+](C)C)cc1=O ZINC001115118514 826426135 /nfs/dbraw/zinc/42/61/35/826426135.db2.gz HCEPEMUVMKEXGG-HWWDLCQESA-N 2 0 348.447 -0.490 20 0 EBADRP CC(=O)NCCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001115241336 826466813 /nfs/dbraw/zinc/46/68/13/826466813.db2.gz GMIQPNMEMFELAN-CAOSSQGBSA-N 2 0 338.452 -0.863 20 0 EBADRP CC(=O)NCCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001115241339 826466997 /nfs/dbraw/zinc/46/69/97/826466997.db2.gz GMIQPNMEMFELAN-WCVJEAGWSA-N 2 0 338.452 -0.863 20 0 EBADRP CC(C)NC(=O)NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115241835 826467556 /nfs/dbraw/zinc/46/75/56/826467556.db2.gz PIONPVAOVKWHDQ-FOLVSLTJSA-N 2 0 337.468 -0.164 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001115292732 826496862 /nfs/dbraw/zinc/49/68/62/826496862.db2.gz UKNFLGFREQROOP-AIANPOQGSA-N 2 0 325.453 -0.084 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCCCC1 ZINC001115451087 826545925 /nfs/dbraw/zinc/54/59/25/826545925.db2.gz ZTFOOKNCNXHHKF-GFCCVEGCSA-N 2 0 339.440 -0.316 20 0 EBADRP CC(CN1CC[NH+](C[C@H](C)O)CC1)C[NH+]1CCN(C[C@H](C)O)CC1 ZINC001116693098 826633596 /nfs/dbraw/zinc/63/35/96/826633596.db2.gz ZNEUSZIIESCVBX-ROUUACIJSA-N 2 0 342.528 -0.381 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001117315401 826717337 /nfs/dbraw/zinc/71/73/37/826717337.db2.gz YYCVEBLEFSPEJV-RBSFLKMASA-N 2 0 339.484 -0.663 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001117315400 826717523 /nfs/dbraw/zinc/71/75/23/826717523.db2.gz YYCVEBLEFSPEJV-QLFBSQMISA-N 2 0 339.484 -0.663 20 0 EBADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001117316624 826718610 /nfs/dbraw/zinc/71/86/10/826718610.db2.gz CQYPOXDVYHSMFR-OAHLLOKOSA-N 2 0 339.484 -0.851 20 0 EBADRP CC[C@@]1(O)CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001117858687 826812228 /nfs/dbraw/zinc/81/22/28/826812228.db2.gz PQCSXBKQKDCGPR-MRXNPFEDSA-N 2 0 328.457 -0.688 20 0 EBADRP C[C@@H](C(=O)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1)[NH+](C)C ZINC001180861385 833115765 /nfs/dbraw/zinc/11/57/65/833115765.db2.gz XERCIDOAXKHQLJ-AWEZNQCLSA-N 2 0 334.468 -0.077 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001118264694 826892953 /nfs/dbraw/zinc/89/29/53/826892953.db2.gz FRFJXEQLOSNVRY-DZGCQCFKSA-N 2 0 340.468 -0.188 20 0 EBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001180896296 833120283 /nfs/dbraw/zinc/12/02/83/833120283.db2.gz ZFAXQDPSSPNEMF-LBPRGKRZSA-N 2 0 327.429 -0.455 20 0 EBADRP O=C(NCC12CC(C1)C[NH2+]2)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001118552852 826958805 /nfs/dbraw/zinc/95/88/05/826958805.db2.gz MXJYFOVCNREXAI-TVIZTDCDSA-N 2 0 336.436 -0.776 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC(C)(F)C2)C[C@H]1C[NH+](C)C ZINC001119019117 827046431 /nfs/dbraw/zinc/04/64/31/827046431.db2.gz UFNBESKNPRPISE-CHWSQXEVSA-N 2 0 328.432 -0.245 20 0 EBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)N3CC4CC3(C[NH3+])C4)CC2)CC1 ZINC001119035901 827051087 /nfs/dbraw/zinc/05/10/87/827051087.db2.gz AWQANTHSAMAFNN-UHFFFAOYSA-N 2 0 349.479 -0.826 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)C[C@@H]21 ZINC001119065950 827054785 /nfs/dbraw/zinc/05/47/85/827054785.db2.gz FHCDKWPXHXPPDW-RHYQMDGZSA-N 2 0 348.369 -0.256 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001119295124 827097815 /nfs/dbraw/zinc/09/78/15/827097815.db2.gz RCVMBPLGBHPUCY-GXTWGEPZSA-N 2 0 326.441 -0.401 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001119365652 827103013 /nfs/dbraw/zinc/10/30/13/827103013.db2.gz UNVCMKNRIHIIOD-UONOGXRCSA-N 2 0 339.484 -0.533 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001120473995 827230286 /nfs/dbraw/zinc/23/02/86/827230286.db2.gz BHTYYBOJKZMJSK-OAHLLOKOSA-N 2 0 327.473 -0.452 20 0 EBADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CCNCC[NH2+]CC1 ZINC001120549394 827245405 /nfs/dbraw/zinc/24/54/05/827245405.db2.gz MRSYDWVKNUWMER-OAHLLOKOSA-N 2 0 325.457 -0.556 20 0 EBADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)n(C)n1 ZINC001181674813 833173651 /nfs/dbraw/zinc/17/36/51/833173651.db2.gz SFRBSJCWGGRQKB-ZIAGYGMSSA-N 2 0 348.451 -0.048 20 0 EBADRP C[C@@H]([NH2+]C1CC2(CC(NC(=O)CC[NH+](C)C)C2)C1)C(=O)NC(N)=O ZINC001121696461 827426940 /nfs/dbraw/zinc/42/69/40/827426940.db2.gz TUPSJQZRPNXLFE-CUMPHSRVSA-N 2 0 339.440 -0.462 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001182473528 833235965 /nfs/dbraw/zinc/23/59/65/833235965.db2.gz SWDCCLBXSKEXEW-OLZOCXBDSA-N 2 0 339.440 -0.495 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182684026 833252653 /nfs/dbraw/zinc/25/26/53/833252653.db2.gz KBBPYQMJLIRPMP-MGPQQGTHSA-N 2 0 346.497 -0.544 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)NC(=O)NC1CC1 ZINC001124866467 827969237 /nfs/dbraw/zinc/96/92/37/827969237.db2.gz DFLFYRFSPWEEAU-PWSUYJOCSA-N 2 0 325.413 -0.837 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124866698 827969735 /nfs/dbraw/zinc/96/97/35/827969735.db2.gz JFDJESMCMKTUMX-LBPRGKRZSA-N 2 0 327.429 -0.588 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001124867763 827970038 /nfs/dbraw/zinc/97/00/38/827970038.db2.gz YVGRFYQLNUVTJL-NSHDSACASA-N 2 0 325.413 -0.883 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001183288149 833285456 /nfs/dbraw/zinc/28/54/56/833285456.db2.gz ALMNETVYWFKDTR-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1)[NH+](C)C ZINC001183581127 833295488 /nfs/dbraw/zinc/29/54/88/833295488.db2.gz FAOIOZBWFGKQBA-HUUCEWRRSA-N 2 0 340.468 -0.188 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127067517 828246632 /nfs/dbraw/zinc/24/66/32/828246632.db2.gz ZCYIVWOUWIEHLI-CQSZACIVSA-N 2 0 328.457 -0.282 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001127065631 828246883 /nfs/dbraw/zinc/24/68/83/828246883.db2.gz CGYBECCVWQPXRG-CYBMUJFWSA-N 2 0 334.486 -0.544 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1)C(=O)NC(N)=O ZINC001183977098 833315282 /nfs/dbraw/zinc/31/52/82/833315282.db2.gz BRTRRLVOWILGSC-CMPLNLGQSA-N 2 0 344.375 -0.278 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)Nc1ncccn1 ZINC001127474315 828296980 /nfs/dbraw/zinc/29/69/80/828296980.db2.gz KYMYERZZJBBSAY-TZMCWYRMSA-N 2 0 346.435 -0.149 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475298 828297126 /nfs/dbraw/zinc/29/71/26/828297126.db2.gz SQBYWUMTNMZHHQ-YPMHNXCESA-N 2 0 339.440 -0.732 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127480515 828297797 /nfs/dbraw/zinc/29/77/97/828297797.db2.gz KNRXNOHCMRITPJ-HUUCEWRRSA-N 2 0 329.441 -0.942 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)CC[N@@H+]1C ZINC001127644295 828308993 /nfs/dbraw/zinc/30/89/93/828308993.db2.gz YRVTZJYEYSGXHX-YUELXQCFSA-N 2 0 348.451 -0.429 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)CC[N@@H+]1C ZINC001127690452 828314872 /nfs/dbraw/zinc/31/48/72/828314872.db2.gz KDISJHTWUZINPB-ZYHUDNBSSA-N 2 0 325.413 -0.979 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2nncs2)CC[N@@H+]1C ZINC001127695687 828315310 /nfs/dbraw/zinc/31/53/10/828315310.db2.gz SYAFWOAZJWRWCG-WDEREUQCSA-N 2 0 340.453 -0.087 20 0 EBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127778891 828329082 /nfs/dbraw/zinc/32/90/82/828329082.db2.gz HSGVOEBHSFSGSR-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP CC(C)NC(=O)NCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127785090 828330098 /nfs/dbraw/zinc/33/00/98/828330098.db2.gz FPZSNVBDJPMJSC-UONOGXRCSA-N 2 0 341.456 -0.737 20 0 EBADRP CCn1nnc(C)c1C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127780122 828330669 /nfs/dbraw/zinc/33/06/69/828330669.db2.gz VZXXCMQUIZRAGC-DZGCQCFKSA-N 2 0 336.440 -0.325 20 0 EBADRP CCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127785999 828331355 /nfs/dbraw/zinc/33/13/55/828331355.db2.gz UHRZVACWBMDDBX-UONOGXRCSA-N 2 0 347.481 -0.620 20 0 EBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001184433502 833330136 /nfs/dbraw/zinc/33/01/36/833330136.db2.gz JZSODKUGOYGHJM-DLOXAQCQSA-N 2 0 336.436 -0.824 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001130711217 828920730 /nfs/dbraw/zinc/92/07/30/828920730.db2.gz QZWKPUQDLABDKB-LBPRGKRZSA-N 2 0 327.429 -0.732 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2[NH2+]CCF)c1 ZINC001130712972 828921090 /nfs/dbraw/zinc/92/10/90/828921090.db2.gz WBMDEJYMNTYNQK-DZGCQCFKSA-N 2 0 341.431 -0.148 20 0 EBADRP COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130808722 828944362 /nfs/dbraw/zinc/94/43/62/828944362.db2.gz OKMIKZJMIUHQKH-HUUCEWRRSA-N 2 0 343.468 -0.267 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130808616 828944461 /nfs/dbraw/zinc/94/44/61/828944461.db2.gz ITSIWPZMMXJPHS-CQSZACIVSA-N 2 0 329.441 -0.656 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001185253212 833352011 /nfs/dbraw/zinc/35/20/11/833352011.db2.gz VYTIVRZTHBYWBK-INIZCTEOSA-N 3 0 327.517 -0.036 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C(=O)NC(N)=O ZINC001131196504 829069703 /nfs/dbraw/zinc/06/97/03/829069703.db2.gz IJROPANJBZGFRZ-JTQLQIEISA-N 2 0 345.363 -0.830 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185408650 833357918 /nfs/dbraw/zinc/35/79/18/833357918.db2.gz VAJUEQXSPZEVBM-GFCCVEGCSA-N 2 0 327.429 -0.636 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185401921 833357940 /nfs/dbraw/zinc/35/79/40/833357940.db2.gz YYGDCUISIXYIJK-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001185415694 833358398 /nfs/dbraw/zinc/35/83/98/833358398.db2.gz FAAJLGIZWZVEIF-ZIAGYGMSSA-N 2 0 346.497 -0.590 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)COCC[NH+](C)C)C[C@@H]1C ZINC001185492375 833360144 /nfs/dbraw/zinc/36/01/44/833360144.db2.gz OBJLDHADRYFCTB-UONOGXRCSA-N 2 0 328.457 -0.615 20 0 EBADRP C[C@H]1CN(C(=O)COCC[NH+](C)C)CC[C@H]1C[NH2+]CC(=O)N(C)C ZINC001185502074 833360430 /nfs/dbraw/zinc/36/04/30/833360430.db2.gz LBPNDNUPQBATCK-GJZGRUSLSA-N 2 0 342.484 -0.273 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+](CC)CC ZINC001185610150 833363037 /nfs/dbraw/zinc/36/30/37/833363037.db2.gz SECODRRPGJKURV-VXGBXAGGSA-N 2 0 327.429 -0.508 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1)[NH+](C)C ZINC001185716078 833367868 /nfs/dbraw/zinc/36/78/68/833367868.db2.gz PBXMKSHWKSMOBQ-ILXRZTDVSA-N 2 0 340.468 -0.500 20 0 EBADRP O=C(NCC[NH2+]C[C@@H]1CCc2ncnn21)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131521787 829153479 /nfs/dbraw/zinc/15/34/79/829153479.db2.gz HSICVQGQSAULBL-CWVKQELPSA-N 2 0 346.435 -0.666 20 0 EBADRP Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)cn1 ZINC001131521586 829153870 /nfs/dbraw/zinc/15/38/70/829153870.db2.gz CCSCGWDHCVMZSL-GULBITTBSA-N 2 0 331.420 -0.146 20 0 EBADRP O=C(NCC[NH2+]CCN1CCCC1=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131522074 829153990 /nfs/dbraw/zinc/15/39/90/829153990.db2.gz RPBOLXJMNQYHHN-UUCFBXCCSA-N 2 0 336.436 -0.822 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001131583200 829160248 /nfs/dbraw/zinc/16/02/48/829160248.db2.gz VCRLOEXZWVMBLU-PBHICJAKSA-N 2 0 340.468 -0.201 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1)N1CCOCC1 ZINC001131790423 829218034 /nfs/dbraw/zinc/21/80/34/829218034.db2.gz NFWOCRQAMYGMCL-INIZCTEOSA-N 2 0 338.452 -0.575 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131786082 829218295 /nfs/dbraw/zinc/21/82/95/829218295.db2.gz DRKRQQHWYISROJ-MRXNPFEDSA-N 2 0 340.468 -0.281 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)c1ccccc1CC[NH+](C)C)C(=O)NC(N)=O ZINC001131802121 829223148 /nfs/dbraw/zinc/22/31/48/829223148.db2.gz VBLGVYRBPAGAPD-GFCCVEGCSA-N 2 0 349.435 -0.307 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001186147915 833390492 /nfs/dbraw/zinc/39/04/92/833390492.db2.gz VRTKMUXARCWGRJ-PBHICJAKSA-N 2 0 340.468 -0.201 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001186452780 833402217 /nfs/dbraw/zinc/40/22/17/833402217.db2.gz RMUBBZGYHGDDOZ-CHWSQXEVSA-N 2 0 341.456 -0.247 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001186459421 833402481 /nfs/dbraw/zinc/40/24/81/833402481.db2.gz VMABQZDHALLSSZ-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H](C)CS(C)(=O)=O)C1 ZINC001132851997 829536305 /nfs/dbraw/zinc/53/63/05/829536305.db2.gz FIMUQKYCTJCYSG-KGLIPLIRSA-N 2 0 349.497 -0.518 20 0 EBADRP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132853269 829538062 /nfs/dbraw/zinc/53/80/62/829538062.db2.gz YXLNLEHEPNVRGJ-ZIAGYGMSSA-N 2 0 328.457 -0.284 20 0 EBADRP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)nn1 ZINC001132858697 829539368 /nfs/dbraw/zinc/53/93/68/829539368.db2.gz FYMAYMZBOXZQPX-AWEZNQCLSA-N 2 0 337.424 -0.200 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001132858919 829539618 /nfs/dbraw/zinc/53/96/18/829539618.db2.gz PAEIVPSNGKJXFI-OAHLLOKOSA-N 2 0 336.436 -0.300 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132859065 829539675 /nfs/dbraw/zinc/53/96/75/829539675.db2.gz URGDPQKERWBZJY-CQSZACIVSA-N 2 0 328.457 -0.332 20 0 EBADRP CCn1nnc(C)c1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132858629 829539776 /nfs/dbraw/zinc/53/97/76/829539776.db2.gz CLENOJZZNINVMR-HNNXBMFYSA-N 2 0 338.456 -0.079 20 0 EBADRP C[C@@H]1CCN(C(=O)COCC[NH+](C)C)C[C@@H]1C[NH2+]CCOCCO ZINC001133240796 829610091 /nfs/dbraw/zinc/61/00/91/829610091.db2.gz ADQSUZFNOUAENO-CVEARBPZSA-N 2 0 345.484 -0.352 20 0 EBADRP C[C@H]1CCN(C(=O)COCC[NH+](C)C)C[C@@H]1C[NH2+]CCOCCO ZINC001133240797 829610517 /nfs/dbraw/zinc/61/05/17/829610517.db2.gz ADQSUZFNOUAENO-HOTGVXAUSA-N 2 0 345.484 -0.352 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133285871 829614778 /nfs/dbraw/zinc/61/47/78/829614778.db2.gz MBGPSONYDDYGGH-LBPRGKRZSA-N 2 0 341.456 -0.343 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)C2CC[NH+](C)CC2)CCO1 ZINC001133281605 829614818 /nfs/dbraw/zinc/61/48/18/829614818.db2.gz DPEPXNSACBQXGS-ZDUSSCGKSA-N 2 0 326.441 -0.719 20 0 EBADRP C[NH+]1CCC(C(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC001133285991 829614918 /nfs/dbraw/zinc/61/49/18/829614918.db2.gz RKXFKRZQYINTHA-CVEARBPZSA-N 2 0 343.468 -0.410 20 0 EBADRP C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133310188 829619376 /nfs/dbraw/zinc/61/93/76/829619376.db2.gz LNLJVRHTZXZTON-QWHCGFSZSA-N 2 0 339.440 -0.649 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001186824894 833431297 /nfs/dbraw/zinc/43/12/97/833431297.db2.gz QDVCFGCWUWYQSQ-UONOGXRCSA-N 2 0 331.482 -0.047 20 0 EBADRP CC(C)[C@H](C(=O)NCC[NH2+]CC(=O)Nc1nncs1)[NH+](C)C ZINC001133415763 829630070 /nfs/dbraw/zinc/63/00/70/829630070.db2.gz NHEPWTNVJHPXFM-LLVKDONJSA-N 2 0 328.442 -0.231 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001186834613 833432733 /nfs/dbraw/zinc/43/27/33/833432733.db2.gz SGYIFGVPFFJJGN-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001133834380 829681938 /nfs/dbraw/zinc/68/19/38/829681938.db2.gz VXBISGXDKHLXFV-LSDHHAIUSA-N 2 0 343.468 -0.267 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]CCNC(=O)C[N@H+]2CC[C@H](C)C2)s1 ZINC001133845712 829684423 /nfs/dbraw/zinc/68/44/23/829684423.db2.gz MGDBUDHMEWCOGX-JTQLQIEISA-N 2 0 340.453 -0.167 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133846240 829684471 /nfs/dbraw/zinc/68/44/71/829684471.db2.gz WYJUUDBTLJYNBE-CYBMUJFWSA-N 2 0 334.486 -0.637 20 0 EBADRP CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133850148 829686367 /nfs/dbraw/zinc/68/63/67/829686367.db2.gz KEDGVKJFWDGSLN-HNNXBMFYSA-N 2 0 342.484 -0.035 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)NCc2cccnc2)C1 ZINC001133853043 829686502 /nfs/dbraw/zinc/68/65/02/829686502.db2.gz AYDPBGKKMLXXFI-AWEZNQCLSA-N 2 0 333.436 -0.255 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001133851023 829686944 /nfs/dbraw/zinc/68/69/44/829686944.db2.gz UZMPJKIDWZKYNY-LSDHHAIUSA-N 2 0 343.468 -0.410 20 0 EBADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001133856858 829688681 /nfs/dbraw/zinc/68/86/81/829688681.db2.gz SUDNYFNTEFWLNX-MRXNPFEDSA-N 2 0 343.447 -0.070 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133869128 829691511 /nfs/dbraw/zinc/69/15/11/829691511.db2.gz BIDPNCPPBUNWAF-VXGBXAGGSA-N 2 0 327.429 -0.874 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133896731 829695435 /nfs/dbraw/zinc/69/54/35/829695435.db2.gz QRAYRJJSOISUGW-UHFFFAOYSA-N 2 0 348.513 -0.294 20 0 EBADRP C[N@H+](CCc1ccccc1)CC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001133918091 829700638 /nfs/dbraw/zinc/70/06/38/829700638.db2.gz ORHMDSHVKGHGMF-HNNXBMFYSA-N 2 0 346.431 -0.328 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1)[NH+](C)C ZINC001133962372 829706976 /nfs/dbraw/zinc/70/69/76/829706976.db2.gz GRJOIYAEWLWTTB-LSDHHAIUSA-N 2 0 340.468 -0.330 20 0 EBADRP CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001134392665 829764769 /nfs/dbraw/zinc/76/47/69/829764769.db2.gz WLVQAKMERHZNBD-OLZOCXBDSA-N 2 0 338.456 -0.323 20 0 EBADRP O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135102273 829898317 /nfs/dbraw/zinc/89/83/17/829898317.db2.gz BMYYUKPXMJQOFT-STQMWFEESA-N 2 0 337.424 -0.739 20 0 EBADRP CN(CC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)S(C)(=O)=O ZINC001135095940 829898332 /nfs/dbraw/zinc/89/83/32/829898332.db2.gz XEWNWJLZRORAIX-KGLIPLIRSA-N 2 0 346.497 -0.400 20 0 EBADRP CN1CCC[C@@H]([NH2+]CCNC(=O)c2cnn(CC[NH+](C)C)c2)C1=O ZINC001135118702 829899843 /nfs/dbraw/zinc/89/98/43/829899843.db2.gz QAKAABZSQOMJQA-CQSZACIVSA-N 2 0 336.440 -0.615 20 0 EBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)c2cnn(CC[NH+](C)C)c2)C1=O ZINC001135118716 829900494 /nfs/dbraw/zinc/90/04/94/829900494.db2.gz QNBLYAVOPSOBHE-CQSZACIVSA-N 2 0 336.440 -0.615 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NCC[NH2+]C[C@@H]2CCc3ncnn32)cn1 ZINC001135119159 829901517 /nfs/dbraw/zinc/90/15/17/829901517.db2.gz XWJSHHXWQGPDDX-AWEZNQCLSA-N 2 0 346.439 -0.457 20 0 EBADRP C[NH+](C)Cc1ccc(C(=O)NCC[NH2+]CCNS(C)(=O)=O)cc1 ZINC001135337303 829948055 /nfs/dbraw/zinc/94/80/55/829948055.db2.gz ZLIMJOCSWSFISY-UHFFFAOYSA-N 2 0 342.465 -0.383 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135371173 829955284 /nfs/dbraw/zinc/95/52/84/829955284.db2.gz DPDBMMYVTVFCBS-VXGBXAGGSA-N 2 0 329.445 -0.343 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CCN1CCCS1(=O)=O)NC(=O)CC[NH+](C)C ZINC001135371842 829955304 /nfs/dbraw/zinc/95/53/04/829955304.db2.gz JQMAVHPKANGAJE-KBPBESRZSA-N 2 0 348.513 -0.154 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135371172 829955670 /nfs/dbraw/zinc/95/56/70/829955670.db2.gz DPDBMMYVTVFCBS-RYUDHWBXSA-N 2 0 329.445 -0.343 20 0 EBADRP CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135512901 829979810 /nfs/dbraw/zinc/97/98/10/829979810.db2.gz BDBAXPMAXBCKSF-AWEZNQCLSA-N 2 0 330.473 -0.035 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001135513062 829980178 /nfs/dbraw/zinc/98/01/78/829980178.db2.gz FKEXGVINYYNVOU-OKILXGFUSA-N 2 0 328.457 -0.330 20 0 EBADRP CC1CC[NH+](CC(=O)NCC[NH2+]CCN2CCCS2(=O)=O)CC1 ZINC001135688638 830009061 /nfs/dbraw/zinc/00/90/61/830009061.db2.gz YYRUHSXYIZSHHQ-UHFFFAOYSA-N 2 0 346.497 -0.540 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135710089 830014079 /nfs/dbraw/zinc/01/40/79/830014079.db2.gz SJJHTQSHSKYABJ-GFCCVEGCSA-N 2 0 327.429 -0.732 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135710090 830014250 /nfs/dbraw/zinc/01/42/50/830014250.db2.gz SJJHTQSHSKYABJ-LBPRGKRZSA-N 2 0 327.429 -0.732 20 0 EBADRP CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001135804982 830028931 /nfs/dbraw/zinc/02/89/31/830028931.db2.gz SFCKFPKIOODZMF-QWHCGFSZSA-N 2 0 328.457 -0.284 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001135861379 830035343 /nfs/dbraw/zinc/03/53/43/830035343.db2.gz PYJFBVWLPNRMRI-OLZOCXBDSA-N 2 0 336.502 -0.250 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CCN1CCNC1=O)NC(=O)COCC[NH+](C)C ZINC001135922717 830046554 /nfs/dbraw/zinc/04/65/54/830046554.db2.gz AFCUVNBFADJHOB-KBPBESRZSA-N 2 0 343.472 -0.537 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)COCC[NH+](C)C)[NH2+]Cc1cn(C)nn1 ZINC001135923122 830046561 /nfs/dbraw/zinc/04/65/61/830046561.db2.gz HJHDOEAWGXCUDC-OLZOCXBDSA-N 2 0 326.445 -0.234 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]Cc1nnnn1C)NC(=O)COCC[NH+](C)C ZINC001135925106 830047667 /nfs/dbraw/zinc/04/76/67/830047667.db2.gz YILZZRPRZQVIQJ-NWDGAFQWSA-N 2 0 327.433 -0.839 20 0 EBADRP CC(C)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135924659 830047685 /nfs/dbraw/zinc/04/76/85/830047685.db2.gz UXKQGFKRWWRXHH-UONOGXRCSA-N 2 0 330.473 -0.038 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CCN1CCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938864 830048352 /nfs/dbraw/zinc/04/83/52/830048352.db2.gz PTMHOINPJWDWLO-UONOGXRCSA-N 2 0 337.468 -0.020 20 0 EBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135963296 830053013 /nfs/dbraw/zinc/05/30/13/830053013.db2.gz FPIOSKOSAIPEJK-UHFFFAOYSA-N 2 0 328.457 -0.425 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001135978959 830056670 /nfs/dbraw/zinc/05/66/70/830056670.db2.gz AACNVEYGQATGRI-CHWSQXEVSA-N 2 0 341.456 -0.247 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001211285022 837421413 /nfs/dbraw/zinc/42/14/13/837421413.db2.gz PBNKLTWSVXNFKY-ZDUSSCGKSA-N 2 0 339.440 -0.541 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146340741 830193652 /nfs/dbraw/zinc/19/36/52/830193652.db2.gz SBZNBIJQVLIZOA-VXGBXAGGSA-N 2 0 327.429 -0.589 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001147848533 830420972 /nfs/dbraw/zinc/42/09/72/830420972.db2.gz OYGGTCKAXWRMDB-CYBMUJFWSA-N 2 0 335.470 -0.905 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F)C1 ZINC001147886312 830425941 /nfs/dbraw/zinc/42/59/41/830425941.db2.gz UDPZPXOQFLIMTM-NWDGAFQWSA-N 2 0 341.374 -0.026 20 0 EBADRP C[C@@H]1CCCC[C@H]1NC(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147893965 830427036 /nfs/dbraw/zinc/42/70/36/830427036.db2.gz WEGLXNOKNQXVFU-HUUCEWRRSA-N 2 0 342.484 -0.035 20 0 EBADRP CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147899855 830428322 /nfs/dbraw/zinc/42/83/22/830428322.db2.gz APKLSRWCMJXJFE-OAHLLOKOSA-N 2 0 342.484 -0.035 20 0 EBADRP CC(C)(C)n1nnc(CC[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001147977089 830434565 /nfs/dbraw/zinc/43/45/65/830434565.db2.gz IIZSBXZJAHROMD-UHFFFAOYSA-N 2 0 335.456 -0.228 20 0 EBADRP C[NH+]1CCN(c2ccc(-c3noc(C[C@@H]([NH3+])C(N)=O)n3)cc2)CC1 ZINC001211591430 837450818 /nfs/dbraw/zinc/45/08/18/837450818.db2.gz YRZVOWRRMMERQZ-CYBMUJFWSA-N 2 0 330.392 -0.157 20 0 EBADRP CN(CC(F)(F)F)C(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147994608 830434899 /nfs/dbraw/zinc/43/48/99/830434899.db2.gz LVXTZLHRUOPKMS-UHFFFAOYSA-N 2 0 336.358 -0.191 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147999815 830437027 /nfs/dbraw/zinc/43/70/27/830437027.db2.gz DTGBSGCDNNHKBJ-ZDUSSCGKSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCOCCO)C2 ZINC001148291691 830465725 /nfs/dbraw/zinc/46/57/25/830465725.db2.gz BBOUMYDENRDYQY-CABCVRRESA-N 2 0 325.453 -0.273 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001148292754 830466147 /nfs/dbraw/zinc/46/61/47/830466147.db2.gz SDFAVDLFZYYOST-HUUCEWRRSA-N 2 0 325.453 -0.130 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+]([C@H]1CCC(=O)NC1=O)C2 ZINC001148548257 830502897 /nfs/dbraw/zinc/50/28/97/830502897.db2.gz ORHXFDKZMIPNDB-ZDUSSCGKSA-N 2 0 336.436 -0.332 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@@H](C)C(=O)NCCCOC ZINC001148578462 830512643 /nfs/dbraw/zinc/51/26/43/830512643.db2.gz UFXJXYSJYJROFP-AWEZNQCLSA-N 2 0 330.473 -0.035 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC2(C1)CC[N@H+](CCn1cccn1)C2 ZINC001148605879 830517256 /nfs/dbraw/zinc/51/72/56/830517256.db2.gz WWAIWBSMBJWRRC-UHFFFAOYSA-N 2 0 335.452 -0.004 20 0 EBADRP CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)C[N@H+](C)CCC ZINC001148655641 830524727 /nfs/dbraw/zinc/52/47/27/830524727.db2.gz QNPZSCKNWZVWPD-UHFFFAOYSA-N 2 0 343.472 -0.981 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001148655071 830524876 /nfs/dbraw/zinc/52/48/76/830524876.db2.gz HKFSLDKMNQNQTP-AWEZNQCLSA-N 2 0 331.457 -0.410 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NCC(C)C ZINC001148656258 830525022 /nfs/dbraw/zinc/52/50/22/830525022.db2.gz YKLYNYSVFSZYKY-ZDUSSCGKSA-N 2 0 343.472 -0.096 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CCOCCO)CCCO1)C1CC1 ZINC001149842096 830760776 /nfs/dbraw/zinc/76/07/76/830760776.db2.gz OBKHSQACNHHVQE-HZPDHXFCSA-N 2 0 343.468 -0.457 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@H]1C[N@H+](CCOCCO)CCCO1)[NH+](C)C ZINC001149881634 830774429 /nfs/dbraw/zinc/77/44/29/830774429.db2.gz QSLOTFJNEIWJBL-HOTGVXAUSA-N 2 0 345.484 -0.211 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001150092392 830818449 /nfs/dbraw/zinc/81/84/49/830818449.db2.gz RRRHBGGEFGXJNP-RRFJBIMHSA-N 2 0 329.441 -0.705 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001150092393 830818740 /nfs/dbraw/zinc/81/87/40/830818740.db2.gz RRRHBGGEFGXJNP-SOUVJXGZSA-N 2 0 329.441 -0.705 20 0 EBADRP CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151066353 831021335 /nfs/dbraw/zinc/02/13/35/831021335.db2.gz TWXMXHILKJHUCD-AWEZNQCLSA-N 2 0 328.457 -0.425 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]CCNC(=O)C[NH+]2CCCC2)s1 ZINC001151097161 831024950 /nfs/dbraw/zinc/02/49/50/831024950.db2.gz KCRQEAPYYUWDNA-UHFFFAOYSA-N 2 0 326.426 -0.413 20 0 EBADRP Cc1cc(N2CC[C@H]([NH2+]CCNC(=O)C[NH+]3CCCC3)C2=O)n(C)n1 ZINC001151101202 831025756 /nfs/dbraw/zinc/02/57/56/831025756.db2.gz QFJVESQJWRLAHS-AWEZNQCLSA-N 2 0 348.451 -0.365 20 0 EBADRP Cc1nn(C)c(C)c1NC(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151107386 831025775 /nfs/dbraw/zinc/02/57/75/831025775.db2.gz UHYJMQUEIVOPEE-UHFFFAOYSA-N 2 0 336.440 -0.223 20 0 EBADRP CC1(C)NC(=O)N(CCC[NH2+]CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001151106790 831025791 /nfs/dbraw/zinc/02/57/91/831025791.db2.gz HURGJKMSOBBICN-UHFFFAOYSA-N 2 0 339.440 -0.492 20 0 EBADRP CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151101575 831026542 /nfs/dbraw/zinc/02/65/42/831026542.db2.gz SWFYAXWWCBRKDH-UHFFFAOYSA-N 2 0 336.440 -0.820 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001151152484 831031083 /nfs/dbraw/zinc/03/10/83/831031083.db2.gz UTALXOMXHACTME-CYBMUJFWSA-N 2 0 328.457 -0.425 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCCN1CCCC1=O ZINC001151156640 831033853 /nfs/dbraw/zinc/03/38/53/831033853.db2.gz FTADHJLRFOUFIA-OAHLLOKOSA-N 2 0 340.468 -0.327 20 0 EBADRP CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151156988 831034535 /nfs/dbraw/zinc/03/45/35/831034535.db2.gz IQDJSSLPUIXXNP-GJZGRUSLSA-N 2 0 342.484 -0.179 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001151156462 831035173 /nfs/dbraw/zinc/03/51/73/831035173.db2.gz CYQPJPGYCROPOK-UONOGXRCSA-N 2 0 336.440 -0.561 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152146381 831133755 /nfs/dbraw/zinc/13/37/55/831133755.db2.gz JCJOVCRRZCYMSC-CHWSQXEVSA-N 2 0 334.486 -0.496 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001152145965 831134171 /nfs/dbraw/zinc/13/41/71/831134171.db2.gz HFPZVDLAJGROGK-OKILXGFUSA-N 2 0 348.513 -0.154 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152138737 831134251 /nfs/dbraw/zinc/13/42/51/831134251.db2.gz YFHBQJPPLRALOJ-KBPBESRZSA-N 2 0 328.457 -0.282 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001152149152 831135164 /nfs/dbraw/zinc/13/51/64/831135164.db2.gz VMZATAGKOWZWAD-TXEJJXNPSA-N 2 0 339.440 -0.447 20 0 EBADRP O=C(CCC[NH+]1CCCC1)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001152222837 831143963 /nfs/dbraw/zinc/14/39/63/831143963.db2.gz CVBFITYXVIOCHW-HNNXBMFYSA-N 2 0 340.468 -0.137 20 0 EBADRP O=C(CC[NH+]1CCCCC1)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001152340719 831153945 /nfs/dbraw/zinc/15/39/45/831153945.db2.gz VWEBWPOJFUPBIN-UHFFFAOYSA-N 2 0 339.440 -0.444 20 0 EBADRP C[NH+](C)Cc1ccccc1C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001152393584 831158698 /nfs/dbraw/zinc/15/86/98/831158698.db2.gz PZXCNHZYQKOZHN-AWEZNQCLSA-N 2 0 332.404 -0.127 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152470932 831165368 /nfs/dbraw/zinc/16/53/68/831165368.db2.gz GCWHZBZCISXWHF-STQMWFEESA-N 2 0 341.456 -0.343 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152480348 831166883 /nfs/dbraw/zinc/16/68/83/831166883.db2.gz RBYDPBRNKWQPRT-INIZCTEOSA-N 2 0 342.484 -0.035 20 0 EBADRP CC[N@H+](C[C@@H](O)COCCOC)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155005765 831380059 /nfs/dbraw/zinc/38/00/59/831380059.db2.gz QXPMSHVFKKEQFU-HUUCEWRRSA-N 2 0 333.473 -0.211 20 0 EBADRP COC(=O)[C@H]([NH3+])C1CCN(c2ccc(N3CC[NH2+]CC3)nn2)CC1 ZINC001155154281 831388760 /nfs/dbraw/zinc/38/87/60/831388760.db2.gz MCJVFECQABUUQW-OAHLLOKOSA-N 2 0 334.424 -0.397 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001157323772 831554080 /nfs/dbraw/zinc/55/40/80/831554080.db2.gz NHVNQTQJJZGANB-ZQIUZPCESA-N 2 0 340.468 -0.105 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1Cc2cc(O)ccc2CN1 ZINC001157322960 831554215 /nfs/dbraw/zinc/55/42/15/831554215.db2.gz GLJSIOBOHOHSHT-GJZGRUSLSA-N 2 0 334.420 -0.234 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CCN2)C(=O)N1CCCC1 ZINC001157370701 831561853 /nfs/dbraw/zinc/56/18/53/831561853.db2.gz GIGYUVNBDICHPF-ZQIUZPCESA-N 2 0 337.468 -0.826 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)C(=O)N1CCCC1 ZINC001157371312 831562213 /nfs/dbraw/zinc/56/22/13/831562213.db2.gz TYLNTOQAQOKDOZ-ZQIUZPCESA-N 2 0 338.452 -0.541 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)c1n[nH]c2c1CC[NH2+]C2)C(=O)N1CCCC1 ZINC001157399885 831564444 /nfs/dbraw/zinc/56/44/44/831564444.db2.gz ZAOTVEIIBMRXGV-ZDUSSCGKSA-N 2 0 348.451 -0.095 20 0 EBADRP O=C([C@@H]1CCCO1)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001157497048 831571723 /nfs/dbraw/zinc/57/17/23/831571723.db2.gz NXQQMRZZYXRWMA-JKIFEVAISA-N 2 0 336.436 -0.965 20 0 EBADRP [NH3+][C@@H](CCCCNC(=O)c1ccccn1)C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157532680 831577136 /nfs/dbraw/zinc/57/71/36/831577136.db2.gz XIULGBFTGICLSY-AGIUHOORSA-N 2 0 337.399 -0.183 20 0 EBADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])CC(=O)OCc1ccccc1 ZINC001157716465 831587068 /nfs/dbraw/zinc/58/70/68/831587068.db2.gz NVAAUHHTRCWXLZ-CABCVRRESA-N 2 0 335.404 -0.106 20 0 EBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)CC1 ZINC001157738638 831589187 /nfs/dbraw/zinc/58/91/87/831589187.db2.gz ASGXVVTWTLAXBW-DOMZBBRYSA-N 2 0 326.416 -0.218 20 0 EBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CCC[C@@](F)(C[NH3+])CC2)COC1(C)C ZINC001157756320 831590753 /nfs/dbraw/zinc/59/07/53/831590753.db2.gz XCJFDAWPNVIDQW-MKBNYLNASA-N 2 0 344.431 -0.023 20 0 EBADRP CCC1(Nc2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C[NH2+]C1 ZINC001157777196 831592824 /nfs/dbraw/zinc/59/28/24/831592824.db2.gz KFERZMJYTDJNJJ-UHFFFAOYSA-N 2 0 325.438 -0.268 20 0 EBADRP O=C(N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1)C(F)(F)F ZINC001157970537 831614394 /nfs/dbraw/zinc/61/43/94/831614394.db2.gz UOQYMZBVEGGTSO-ZWNOBZJWSA-N 2 0 334.342 -0.581 20 0 EBADRP [NH3+]C1CC2(C1)CCN(C(=O)[C@H]1CCS(=O)(=O)C13C[NH2+]C3)CC2 ZINC001158083175 831626064 /nfs/dbraw/zinc/62/60/64/831626064.db2.gz XWQIGZPKTJNYJG-GFCCVEGCSA-N 2 0 327.450 -0.507 20 0 EBADRP O=C([C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091524 831626821 /nfs/dbraw/zinc/62/68/21/831626821.db2.gz DSTLNYFSCOOOHP-RDTXWAMCSA-N 3 0 349.479 -0.859 20 0 EBADRP COc1ccc([C@@H]([NH3+])CC(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)cn1 ZINC001158093038 831626962 /nfs/dbraw/zinc/62/69/62/831626962.db2.gz QYOKELYCMGZLKP-LRDDRELGSA-N 2 0 333.392 -0.829 20 0 EBADRP O=C(C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158093472 831626980 /nfs/dbraw/zinc/62/69/80/831626980.db2.gz VMDSPFRTWCVRHZ-RRQGHBQHSA-N 2 0 336.436 -0.774 20 0 EBADRP [NH3+][C@H](C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2)C1Cc2ccccc2C1 ZINC001158094050 831627007 /nfs/dbraw/zinc/62/70/07/831627007.db2.gz ZYONJFSQZGCGAL-FUHWJXTLSA-N 2 0 328.416 -0.581 20 0 EBADRP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158121718 831630709 /nfs/dbraw/zinc/63/07/09/831630709.db2.gz WOKAIMPKHNADEB-BEFAXECRSA-N 2 0 340.427 -0.361 20 0 EBADRP [NH3+][C@]1(C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CCc2ccccc21 ZINC001158121361 831631132 /nfs/dbraw/zinc/63/11/32/831631132.db2.gz RWSPTOMICOIQAV-RBUKOAKNSA-N 2 0 340.427 -0.275 20 0 EBADRP [NH3+]C12CCC(C(=O)N3CC4(C[NH2+]C4)[C@]4(CCNC4=O)C3)(CC1)CC2 ZINC001158120607 831631163 /nfs/dbraw/zinc/63/11/63/831631163.db2.gz OJUTZAKHKQKPDX-VMWRSERWSA-N 2 0 332.448 -0.024 20 0 EBADRP Cc1cnc(C[NH3+])n1-c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001158163146 831634030 /nfs/dbraw/zinc/63/40/30/831634030.db2.gz OHRLERRGWTXNJA-UHFFFAOYSA-N 2 0 336.421 -0.479 20 0 EBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@@H]2C(=O)Nc3ccccc3[C@H]2C1 ZINC001158180347 831637147 /nfs/dbraw/zinc/63/71/47/831637147.db2.gz YNAKICHHZXHYCR-HZSPNIEDSA-N 2 0 326.400 -0.010 20 0 EBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001158186336 831637965 /nfs/dbraw/zinc/63/79/65/831637965.db2.gz FVGQGWRICYKKTC-AVERBVTBSA-N 2 0 327.450 -0.650 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158196409 831638749 /nfs/dbraw/zinc/63/87/49/831638749.db2.gz LZLHGGVLQZGQCX-OAHLLOKOSA-N 2 0 340.468 -0.423 20 0 EBADRP O=C(NCCC[NH2+]CCN1C(=O)CCC1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158202422 831638833 /nfs/dbraw/zinc/63/88/33/831638833.db2.gz UNZZVBAEVKIQCF-CQSZACIVSA-N 2 0 336.436 -0.427 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158202374 831638897 /nfs/dbraw/zinc/63/88/97/831638897.db2.gz SDTCZOYCXIHZRB-YPMHNXCESA-N 2 0 339.440 -0.732 20 0 EBADRP CO[C@H]1CC[NH2+][C@@H](C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)C1 ZINC001158277090 831642878 /nfs/dbraw/zinc/64/28/78/831642878.db2.gz HZSZDUQPOTUCEV-QWHCGFSZSA-N 2 0 334.424 -0.534 20 0 EBADRP [NH3+]Cc1ccnc(C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)c1 ZINC001158285653 831644110 /nfs/dbraw/zinc/64/41/10/831644110.db2.gz NRPVRZMMOBITQN-UHFFFAOYSA-N 2 0 327.392 -0.134 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)c1ccn(CC[NH+](C)C)n1)c1nnnn1C ZINC001158287466 831644203 /nfs/dbraw/zinc/64/42/03/831644203.db2.gz FHCNISZVLZOGTA-GFCCVEGCSA-N 2 0 349.443 -0.561 20 0 EBADRP O=C(c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1NC2=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158313229 831644766 /nfs/dbraw/zinc/64/47/66/831644766.db2.gz IDDTXBOTCBBPTQ-VCOSZWKGSA-N 2 0 326.400 -0.081 20 0 EBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158486144 831658443 /nfs/dbraw/zinc/65/84/43/831658443.db2.gz GQOFNPMFLJAWAK-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP CCn1nncc1C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158487002 831660209 /nfs/dbraw/zinc/66/02/09/831660209.db2.gz UUJJVCYXYFHUDW-ZFWWWQNUSA-N 2 0 336.440 -0.243 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]([NH3+])C1CCC(O)CC1 ZINC001158499188 831660624 /nfs/dbraw/zinc/66/06/24/831660624.db2.gz YEYLYKJHNULCLN-QEWUEQLNSA-N 2 0 339.436 -0.383 20 0 EBADRP Cn1nccc1CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158505636 831661786 /nfs/dbraw/zinc/66/17/86/831661786.db2.gz DJAONQJCPSYUIV-JKSUJKDBSA-N 2 0 335.452 -0.078 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158548457 831664512 /nfs/dbraw/zinc/66/45/12/831664512.db2.gz UHFCZMJOUSIYEW-BAHXQUAYSA-N 2 0 337.420 -0.636 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(c1cncc(N3CC[NH2+]CC3)n1)CC2 ZINC001158637611 831672939 /nfs/dbraw/zinc/67/29/39/831672939.db2.gz VHPLKLHXPFSWKJ-CXAGYDPISA-N 2 0 346.435 -0.382 20 0 EBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158900209 831694985 /nfs/dbraw/zinc/69/49/85/831694985.db2.gz ASWGQUCMPJKZJF-NVNVUAJTSA-N 2 0 349.410 -0.379 20 0 EBADRP COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@@H](C)C[NH3+] ZINC001159078558 831706097 /nfs/dbraw/zinc/70/60/97/831706097.db2.gz XMZZZPCTSPCEFG-HEHGZKQESA-N 2 0 327.425 -0.164 20 0 EBADRP C[C@@H]([NH3+])C(=O)N1CCc2c(C(=O)N3CCN(C)CC3)nn(C)c2C1 ZINC001159075404 831706981 /nfs/dbraw/zinc/70/69/81/831706981.db2.gz ONMHVGBBSBJVQI-LLVKDONJSA-N 2 0 334.424 -0.960 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001159155653 831712476 /nfs/dbraw/zinc/71/24/76/831712476.db2.gz SEPCUZQXLXUIAU-NWDGAFQWSA-N 2 0 330.404 -0.433 20 0 EBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H]1CC[C@@H]1[NH3+])CC2 ZINC001159189130 831716401 /nfs/dbraw/zinc/71/64/01/831716401.db2.gz AVVQYYBBHZFDRX-JQWIXIFHSA-N 2 0 335.408 -0.412 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001159334709 831741317 /nfs/dbraw/zinc/74/13/17/831741317.db2.gz GAWQAISVXVULKF-AWEZNQCLSA-N 2 0 325.457 -0.018 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001159356381 831744595 /nfs/dbraw/zinc/74/45/95/831744595.db2.gz YEPADNBCVVSNLR-VXGBXAGGSA-N 2 0 327.429 -0.460 20 0 EBADRP CCN1C[C@H]2CCN(C(=O)C[NH2+]CCC[NH3+])CC[C@H]2S1(=O)=O ZINC001159403116 831750116 /nfs/dbraw/zinc/75/01/16/831750116.db2.gz FQTKTEUPUKNPIO-CHWSQXEVSA-N 2 0 332.470 -0.803 20 0 EBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159403210 831750415 /nfs/dbraw/zinc/75/04/15/831750415.db2.gz NKUCQVXTAKENIS-YZXKGSGOSA-N 2 0 343.431 -0.101 20 0 EBADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1N)C2 ZINC001159481012 831755431 /nfs/dbraw/zinc/75/54/31/831755431.db2.gz HBBPMAYDPRQHSR-MUQADHOPSA-N 2 0 336.480 -0.260 20 0 EBADRP O=C([C@@H]1C[NH2+]CCN1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159560750 831761913 /nfs/dbraw/zinc/76/19/13/831761913.db2.gz NGGSALUCKOIVDU-HNNXBMFYSA-N 2 0 332.452 -0.181 20 0 EBADRP C[C@@H]1CCCN1C(=O)c1n[nH]c2c1CN(C(=O)[C@H]([NH3+])CCC[NH3+])CC2 ZINC001159607987 831765283 /nfs/dbraw/zinc/76/52/83/831765283.db2.gz DTLWZYHMYOMVIU-DGCLKSJQSA-N 2 0 348.451 -0.015 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21 ZINC001159770795 831781356 /nfs/dbraw/zinc/78/13/56/831781356.db2.gz VTEIFNSIRBOQCN-YJNKXOJESA-N 2 0 338.452 -0.273 20 0 EBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001159837809 831787031 /nfs/dbraw/zinc/78/70/31/831787031.db2.gz FXNDDHHUHOIZDG-KBPBESRZSA-N 2 0 338.452 -0.135 20 0 EBADRP C[NH+](C)C1(C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCOC2)CCC1 ZINC001159861079 831789062 /nfs/dbraw/zinc/78/90/62/831789062.db2.gz KWSBMVORYZFYIX-AWEZNQCLSA-N 2 0 340.468 -0.281 20 0 EBADRP CN(C)C(=O)[C@@H]1CC12CCN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)CC2 ZINC001159863464 831789635 /nfs/dbraw/zinc/78/96/35/831789635.db2.gz UOFGLZAQJZSTFY-QWQRMKEZSA-N 2 0 334.464 -0.098 20 0 EBADRP CC[C@@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)C(N)=O ZINC001159868736 831789821 /nfs/dbraw/zinc/78/98/21/831789821.db2.gz KULPQIIYOOBFTL-HUUCEWRRSA-N 2 0 340.468 -0.010 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159914203 831796822 /nfs/dbraw/zinc/79/68/22/831796822.db2.gz BLRJYQBKJKDBAI-ZDUSSCGKSA-N 2 0 327.429 -0.732 20 0 EBADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001159929539 831797811 /nfs/dbraw/zinc/79/78/11/831797811.db2.gz HDMKMEJJKPGYKX-ZNMIVQPWSA-N 2 0 337.468 -0.827 20 0 EBADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001159929968 831798294 /nfs/dbraw/zinc/79/82/94/831798294.db2.gz MPFXMOLGACOTAS-MELADBBJSA-N 3 0 329.514 -0.758 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O)C1CC1 ZINC001159932972 831799761 /nfs/dbraw/zinc/79/97/61/831799761.db2.gz XEXNZNOMHRFRCB-AWEZNQCLSA-N 2 0 339.440 -0.636 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001160003260 831804011 /nfs/dbraw/zinc/80/40/11/831804011.db2.gz GBUHAXUUQXOFIH-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)[C@H]2C1 ZINC001159998811 831804093 /nfs/dbraw/zinc/80/40/93/831804093.db2.gz MEHMNOKRADAVGR-RDBSUJKOSA-N 2 0 344.481 -0.804 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCC[C@@H]2CN(S(C)(=O)=O)C[C@@H]21 ZINC001159998908 831804324 /nfs/dbraw/zinc/80/43/24/831804324.db2.gz OGDTVBZORNVULE-RDBSUJKOSA-N 2 0 346.497 -0.414 20 0 EBADRP COCCCNC(=O)C[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159997340 831804335 /nfs/dbraw/zinc/80/43/35/831804335.db2.gz MKTPAUXHQPLJFL-UHFFFAOYSA-N 2 0 328.457 -0.281 20 0 EBADRP C[N@H+](CC(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O)C1CCC1 ZINC001159997648 831804493 /nfs/dbraw/zinc/80/44/93/831804493.db2.gz WKFKAMXQLBBUFT-HNNXBMFYSA-N 2 0 340.468 -0.450 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001160273371 831830703 /nfs/dbraw/zinc/83/07/03/831830703.db2.gz LEXOKYZXQUBLIJ-ZDUSSCGKSA-N 2 0 334.486 -0.494 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001160275064 831831072 /nfs/dbraw/zinc/83/10/72/831831072.db2.gz ZPDQYMJVXREMJV-HNNXBMFYSA-N 2 0 340.468 -0.185 20 0 EBADRP CCOC(=O)C1=C(O)CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001160428035 831848215 /nfs/dbraw/zinc/84/82/15/831848215.db2.gz OZKCOSSPAYXXGN-TZMCWYRMSA-N 2 0 325.409 -0.316 20 0 EBADRP C[NH2+]CC1CCN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)CC1 ZINC001160459073 831853888 /nfs/dbraw/zinc/85/38/88/831853888.db2.gz GLIGWZVTHJPSJW-ZDUSSCGKSA-N 2 0 328.457 -0.297 20 0 EBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001160490585 831856193 /nfs/dbraw/zinc/85/61/93/831856193.db2.gz CSSKQZVXLGYFPA-CYBMUJFWSA-N 2 0 327.429 -0.915 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCCC12COC2 ZINC001160541616 831861514 /nfs/dbraw/zinc/86/15/14/831861514.db2.gz DVWJZQIMMMYYRC-KBPBESRZSA-N 2 0 338.452 -0.175 20 0 EBADRP O=C([C@H]1C[NH2+]C[C@@H]1O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160588383 831867656 /nfs/dbraw/zinc/86/76/56/831867656.db2.gz ALWPHZNEVJRIIZ-JSGCOSHPSA-N 2 0 330.388 -0.577 20 0 EBADRP COC(=O)C[C@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCO1 ZINC001160595781 831868842 /nfs/dbraw/zinc/86/88/42/831868842.db2.gz ILPAXYVRGIWTQI-QWHCGFSZSA-N 2 0 325.409 -0.349 20 0 EBADRP COC(=O)[C@]1(C)CCCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001160635235 831872887 /nfs/dbraw/zinc/87/28/87/831872887.db2.gz HZGSFDOLWICSSR-CZUORRHYSA-N 2 0 326.441 -0.462 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]([NH3+])CCCCNC(=O)c2ccccn2)CCO1 ZINC001160643645 831874224 /nfs/dbraw/zinc/87/42/24/831874224.db2.gz LGJHIEUAQUIFFE-KBPBESRZSA-N 2 0 349.435 -0.505 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)c2cnn3c2nccc3[C@@H]2C[NH2+]CCO2)CCO1 ZINC001160645626 831874979 /nfs/dbraw/zinc/87/49/79/831874979.db2.gz RLKIKFILTZMOLE-FZMZJTMJSA-N 2 0 346.391 -0.810 20 0 EBADRP COC(=O)CN(Cc1ccccc1)C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160657005 831877007 /nfs/dbraw/zinc/87/70/07/831877007.db2.gz BMLFHOUUIBSULD-MRXNPFEDSA-N 2 0 348.447 -0.061 20 0 EBADRP Cc1cncn1CC(=O)NCCC1=CCN(CC(=O)NC(N)=O)CC1 ZINC001160677315 831877822 /nfs/dbraw/zinc/87/78/22/831877822.db2.gz YBTBHQBTCMJHBB-UHFFFAOYSA-N 2 0 348.407 -0.475 20 0 EBADRP CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160679852 831878163 /nfs/dbraw/zinc/87/81/63/831878163.db2.gz LFJRMBCAWLRJEC-CYBMUJFWSA-N 2 0 328.457 -0.073 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3CO[C@@H]4C[NH2+]C[C@H]34)C[C@H]1C2 ZINC001160791922 831887576 /nfs/dbraw/zinc/88/75/76/831887576.db2.gz IJMQISOACOLPMQ-PFYUTFOKSA-N 2 0 349.431 -0.922 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@]34CC[C@@H]3C[NH2+]C4)C[C@H]1C2 ZINC001160791885 831887668 /nfs/dbraw/zinc/88/76/68/831887668.db2.gz HALADLJEKCXJHY-WZFAXLERSA-N 2 0 333.432 -0.157 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3C[C@@H](F)CC[NH2+]3)C[C@H]1C2 ZINC001160792152 831887861 /nfs/dbraw/zinc/88/78/61/831887861.db2.gz QWOVSFOHNZHPGW-LZQHRPSPSA-N 2 0 339.411 -0.066 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)CNC3CC[NH2+]CC3)C[C@H]1C[NH2+]CC2 ZINC001160810802 831889153 /nfs/dbraw/zinc/88/91/53/831889153.db2.gz GJDDYRAJDRBDTM-CXAGYDPISA-N 2 0 338.452 -0.671 20 0 EBADRP COC(=O)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001160822985 831891017 /nfs/dbraw/zinc/89/10/17/831891017.db2.gz AZQIKKHPPLEEFQ-NZBPQXDJSA-N 2 0 338.452 -0.463 20 0 EBADRP CCOC(=O)c1nc2c(o1)CCN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001160823746 831892147 /nfs/dbraw/zinc/89/21/47/831892147.db2.gz ISLDZXYPPWAIPG-JTQLQIEISA-N 2 0 334.376 -0.455 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001160867566 831900949 /nfs/dbraw/zinc/90/09/49/831900949.db2.gz HGNJBGWTOGLCGW-QWHCGFSZSA-N 2 0 339.440 -0.445 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001160882960 831902710 /nfs/dbraw/zinc/90/27/10/831902710.db2.gz CITFMOGFQKVYQI-VXGBXAGGSA-N 2 0 329.445 -0.343 20 0 EBADRP COC(=O)c1cn2c(n1)CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC2 ZINC001160901219 831904764 /nfs/dbraw/zinc/90/47/64/831904764.db2.gz BHEPTAAUSAGVEC-VIFPVBQESA-N 2 0 327.410 -0.969 20 0 EBADRP [NH3+][C@H](C(=O)N1CCN(C(=O)c2ccncc2)CC1)C1CC[NH2+]CC1 ZINC001160937117 831908172 /nfs/dbraw/zinc/90/81/72/831908172.db2.gz SSIFDTBNMKCANL-HNNXBMFYSA-N 2 0 331.420 -0.307 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)C(C)(C)C[NH+]1CCOCC1)C(=O)N(C)C ZINC001160951682 831909071 /nfs/dbraw/zinc/90/90/71/831909071.db2.gz NTZMLEKEDYJRBE-CQSZACIVSA-N 2 0 342.484 -0.083 20 0 EBADRP CC(C)(C)C(=O)N1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001160948598 831909400 /nfs/dbraw/zinc/90/94/00/831909400.db2.gz MUNLDRSUYHBWNJ-CQSZACIVSA-N 2 0 339.484 -0.546 20 0 EBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)COC1(C)C ZINC001160965743 831911114 /nfs/dbraw/zinc/91/11/14/831911114.db2.gz XJHNXMVMFPJRFF-PFHKOEEOSA-N 2 0 338.452 -0.293 20 0 EBADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)N2C[C@H]([NH3+])CC(F)(F)C2)cc1 ZINC001160972815 831911998 /nfs/dbraw/zinc/91/19/98/831911998.db2.gz SXKHYJQJRWZTEQ-NEPJUHHUSA-N 2 0 326.347 -0.150 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1nnc2n1CCOC2 ZINC001161042431 831917108 /nfs/dbraw/zinc/91/71/08/831917108.db2.gz RCIDKJYIHPFUEE-CYBMUJFWSA-N 2 0 336.440 -0.112 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001161042395 831917483 /nfs/dbraw/zinc/91/74/83/831917483.db2.gz QEAHSODELQRHCI-AWEZNQCLSA-N 2 0 326.441 -0.575 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161053251 831918017 /nfs/dbraw/zinc/91/80/17/831918017.db2.gz SDXYLFQXWWLTDO-AWEZNQCLSA-N 2 0 348.513 -0.152 20 0 EBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H](CCCC[NH3+])NC(C)=O ZINC001161158881 831933751 /nfs/dbraw/zinc/93/37/51/831933751.db2.gz OILIAHIMJVPEOK-ZDUSSCGKSA-N 2 0 330.429 -0.639 20 0 EBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161210449 831937572 /nfs/dbraw/zinc/93/75/72/831937572.db2.gz VUPVEWWMDCMXNP-FZMZJTMJSA-N 2 0 326.441 -0.951 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]CCOCCNC(C)=O ZINC001161226420 831938370 /nfs/dbraw/zinc/93/83/70/831938370.db2.gz HGLVCZMZMWMUCF-UHFFFAOYSA-N 2 0 330.473 -0.035 20 0 EBADRP COC(=O)[C@H]1CN(C)CCN1C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001161239242 831939831 /nfs/dbraw/zinc/93/98/31/831939831.db2.gz YIYYPRSMZXPKRW-UONOGXRCSA-N 2 0 328.457 -0.202 20 0 EBADRP [NH3+][C@@H]1CN[C@H](C(=O)N2CCC(N3CCCCS3(=O)=O)CC2)C1 ZINC001161270114 831943740 /nfs/dbraw/zinc/94/37/40/831943740.db2.gz RABANDLNHSYDSD-AAEUAGOBSA-N 2 0 330.454 -0.908 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161378328 831951912 /nfs/dbraw/zinc/95/19/12/831951912.db2.gz MGPHQMBDQGLHAR-GJZGRUSLSA-N 2 0 339.484 -0.500 20 0 EBADRP [NH3+]C1CCN([C@H]2CCN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)C2)CC1 ZINC001161377554 831951959 /nfs/dbraw/zinc/95/19/59/831951959.db2.gz HORAIAAPVHUHNX-HOTGVXAUSA-N 3 0 335.496 -0.115 20 0 EBADRP COC(=O)[C@@]1(C)COCCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001161374170 831951975 /nfs/dbraw/zinc/95/19/75/831951975.db2.gz UGAOHDCCFRBFPT-IUODEOHRSA-N 2 0 325.409 -0.349 20 0 EBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3Cn4cnnc4C34CC[NH2+]CC4)C[C@H]12 ZINC001161411942 831954921 /nfs/dbraw/zinc/95/49/21/831954921.db2.gz CVWVSABYWKOAOJ-ZOBORPQBSA-N 2 0 330.436 -0.275 20 0 EBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3Cn4cnnc4C34CC[NH2+]CC4)C[C@@H]12 ZINC001161411941 831955073 /nfs/dbraw/zinc/95/50/73/831955073.db2.gz CVWVSABYWKOAOJ-YIYPIFLZSA-N 2 0 330.436 -0.275 20 0 EBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C[C@@H]12 ZINC001161413333 831956140 /nfs/dbraw/zinc/95/61/40/831956140.db2.gz PGPQIOIHQQIULD-YIYPIFLZSA-N 2 0 341.477 -0.404 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161414457 831956164 /nfs/dbraw/zinc/95/61/64/831956164.db2.gz WZNYTQWYDZMZNK-JONQDZQNSA-N 2 0 330.432 -0.132 20 0 EBADRP C[NH2+][C@H]1CCCN(CC(=O)N(CC[NH+](C)C)[C@H]2CCC[NH2+]C2)C1 ZINC001161448814 831959087 /nfs/dbraw/zinc/95/90/87/831959087.db2.gz HTJNEJBKVIIMHK-HOTGVXAUSA-N 3 0 325.501 -0.188 20 0 EBADRP CCCCOC(=O)[C@H]1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001161469514 831961279 /nfs/dbraw/zinc/96/12/79/831961279.db2.gz YYMRNUWIILLSFJ-DZGCQCFKSA-N 2 0 340.468 -0.071 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@]2(C(=O)OC)CC[NH2+][C@@H]2C1 ZINC001161476259 831962425 /nfs/dbraw/zinc/96/24/25/831962425.db2.gz CDLDFUNODSBWRM-WOSRLPQWSA-N 3 0 326.441 -0.543 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)CCCCNC(N)=[NH2+])CC2 ZINC001161477690 831963228 /nfs/dbraw/zinc/96/32/28/831963228.db2.gz FZAZNPUNNLAPSB-XHDPSFHLSA-N 2 0 325.413 -0.607 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[NH2+]C[C@H]3CCO[C@H]31)CC2 ZINC001161478150 831963511 /nfs/dbraw/zinc/96/35/11/831963511.db2.gz HFCYVQPUUKBUAB-LYUDMSCLSA-N 2 0 337.420 -0.636 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)CC1([NH3+])CCOCC1)CC2 ZINC001161479335 831963712 /nfs/dbraw/zinc/96/37/12/831963712.db2.gz KEHNHRJFONEZCN-MLGOLLRUSA-N 2 0 325.409 -0.362 20 0 EBADRP CO[C@@H]1CN(C(=O)c2ccc3c(c2)[C@H]2C[NH2+]C[C@H]2NC3=O)C[C@@H]1[NH3+] ZINC001161493193 831965776 /nfs/dbraw/zinc/96/57/76/831965776.db2.gz GIEZGCCJXBSVPX-LXTVHRRPSA-N 2 0 330.388 -0.717 20 0 EBADRP [NH3+][C@H](Cc1cn(C=O)c2ccccc12)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161508647 831967898 /nfs/dbraw/zinc/96/78/98/831967898.db2.gz FRYOUPFQWAQSFS-GDBMZVCRSA-N 2 0 342.399 -0.265 20 0 EBADRP Cc1c(C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)ccc2c[nH+]cn21 ZINC001161558746 831972509 /nfs/dbraw/zinc/97/25/09/831972509.db2.gz MVMQYIWUNJRYBE-JTQLQIEISA-N 2 0 346.391 -0.064 20 0 EBADRP COC(=O)CC[C@H]1COCCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001161567252 831973207 /nfs/dbraw/zinc/97/32/07/831973207.db2.gz VEUKOQZROOJEHV-DVOMOZLQSA-N 2 0 325.409 -0.634 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001161644849 831979998 /nfs/dbraw/zinc/97/99/98/831979998.db2.gz UDFGDBHAIBQIPJ-QWHCGFSZSA-N 2 0 341.456 -0.214 20 0 EBADRP COCCCNC(=O)C[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161789775 831992505 /nfs/dbraw/zinc/99/25/05/831992505.db2.gz ZLCITZGCYVJSFQ-UHFFFAOYSA-N 2 0 340.468 -0.137 20 0 EBADRP COCC1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001162170659 832023265 /nfs/dbraw/zinc/02/32/65/832023265.db2.gz CDVMUIMUDHBNMN-ZIAGYGMSSA-N 2 0 340.468 -0.201 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001162617860 832057042 /nfs/dbraw/zinc/05/70/42/832057042.db2.gz VSHOZRRISAAWSC-UHFFFAOYSA-N 2 0 339.421 -0.407 20 0 EBADRP Cn1ccc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)n1 ZINC001162872510 832068165 /nfs/dbraw/zinc/06/81/65/832068165.db2.gz UWTVOIQXSZBDHF-GNHJJJEISA-N 2 0 333.436 -0.121 20 0 EBADRP COCCOCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872523 832068256 /nfs/dbraw/zinc/06/82/56/832068256.db2.gz UZAOERQXZWKJTJ-ISXOHVOVSA-N 2 0 341.452 -0.392 20 0 EBADRP CCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872340 832069174 /nfs/dbraw/zinc/06/91/74/832069174.db2.gz OOZVZYKDFUAEMF-UUCFBXCCSA-N 2 0 338.452 -0.528 20 0 EBADRP Cc1nnc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[nH]1 ZINC001162872092 832069213 /nfs/dbraw/zinc/06/92/13/832069213.db2.gz GKXNNEZJIFSRSW-UYJPIKCFSA-N 2 0 334.424 -0.428 20 0 EBADRP Cc1cc(OC2CC[NH2+]CC2)nc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)n1 ZINC001163234783 832091835 /nfs/dbraw/zinc/09/18/35/832091835.db2.gz BQWLLVLMWJGYCV-LRDDRELGSA-N 2 0 332.408 -0.094 20 0 EBADRP O=C(c1ccc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)cc1)N1CC[NH2+]CC1 ZINC001163254209 832094109 /nfs/dbraw/zinc/09/41/09/832094109.db2.gz QANYCHCWDYKYGI-RHSMWYFYSA-N 2 0 329.404 -0.278 20 0 EBADRP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001212293276 837599013 /nfs/dbraw/zinc/59/90/13/837599013.db2.gz BFJHYXMUZHCNGC-BZUAXINKSA-N 2 0 341.452 -0.848 20 0 EBADRP C[NH+](C)C1(CC(=O)NCCC[NH2+]CCNS(C)(=O)=O)CCCC1 ZINC001163290475 832098523 /nfs/dbraw/zinc/09/85/23/832098523.db2.gz ITSIYRFCEXRSBY-UHFFFAOYSA-N 2 0 348.513 -0.104 20 0 EBADRP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001212298234 837600023 /nfs/dbraw/zinc/60/00/23/837600023.db2.gz ZTVXHSYAPTXCOA-KBUPBQIOSA-N 2 0 329.441 -0.849 20 0 EBADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCOC2)CC1 ZINC001165270025 832209359 /nfs/dbraw/zinc/20/93/59/832209359.db2.gz AXWKBIIFPBGWPI-CQSZACIVSA-N 2 0 340.468 -0.423 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001350989600 832210384 /nfs/dbraw/zinc/21/03/84/832210384.db2.gz JTDVJPGHYDZRAW-CHWSQXEVSA-N 2 0 336.440 -0.255 20 0 EBADRP C[NH+](C)CCCC(=O)NCCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001165377934 832218324 /nfs/dbraw/zinc/21/83/24/832218324.db2.gz BWSRQUIRTHPAKW-JKSUJKDBSA-N 2 0 345.484 -0.019 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001165765041 832235770 /nfs/dbraw/zinc/23/57/70/832235770.db2.gz XALNPBGFAFRTLV-LBPRGKRZSA-N 2 0 339.440 -0.458 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C)C[C@@H](C)O1 ZINC001165781055 832237414 /nfs/dbraw/zinc/23/74/14/832237414.db2.gz DNDSKUJGTNNVOU-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH+](C)CCC(=O)NCCC[NH2+]CC(=O)N1CCOC[C@H]1C1CC1 ZINC001165793819 832238295 /nfs/dbraw/zinc/23/82/95/832238295.db2.gz BKZHBIKQASWOCU-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[C@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)[NH+](CC)CC ZINC001166448445 832261849 /nfs/dbraw/zinc/26/18/49/832261849.db2.gz TUILVGSSQYPWEZ-NWDGAFQWSA-N 2 0 329.445 -0.214 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001166627632 832274757 /nfs/dbraw/zinc/27/47/57/832274757.db2.gz XWVHOPBHFAISBD-CQSZACIVSA-N 2 0 346.497 -0.398 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166634929 832276223 /nfs/dbraw/zinc/27/62/23/832276223.db2.gz YTCOGPNKUKLFET-CQSZACIVSA-N 2 0 328.457 -0.281 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001166677321 832279399 /nfs/dbraw/zinc/27/93/99/832279399.db2.gz HRCCRSVUKQBNRV-CYBMUJFWSA-N 2 0 334.486 -0.685 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)Nc2nncs2)C1 ZINC001166676804 832279532 /nfs/dbraw/zinc/27/95/32/832279532.db2.gz CSRQXMIVBHIFKI-NSHDSACASA-N 2 0 340.453 -0.086 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001166707706 832280907 /nfs/dbraw/zinc/28/09/07/832280907.db2.gz IFCLLLVJXKLYFU-QWHCGFSZSA-N 2 0 341.456 -0.484 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001166708656 832282305 /nfs/dbraw/zinc/28/23/05/832282305.db2.gz VTHZAKCLPRFQDI-YPMHNXCESA-N 2 0 339.440 -0.732 20 0 EBADRP CNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001166814948 832289939 /nfs/dbraw/zinc/28/99/39/832289939.db2.gz VVMRBQVZBHFTCJ-AWEZNQCLSA-N 2 0 340.468 -0.282 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001166865181 832294439 /nfs/dbraw/zinc/29/44/39/832294439.db2.gz CITFMOGFQKVYQI-RYUDHWBXSA-N 2 0 329.445 -0.343 20 0 EBADRP C[C@@H](COCC(=O)NCCC[NH2+][C@H]1CCNC1=O)[NH+]1CCCC1 ZINC001166931165 832299986 /nfs/dbraw/zinc/29/99/86/832299986.db2.gz QWBFAPDCSWQGPH-KBPBESRZSA-N 2 0 326.441 -0.528 20 0 EBADRP CCOCCNC(=O)C[NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166971297 832304960 /nfs/dbraw/zinc/30/49/60/832304960.db2.gz KGFOMTNCICVZSP-UHFFFAOYSA-N 2 0 342.484 -0.033 20 0 EBADRP CC[C@@H](C(=O)NCCC1(C[NH2+][C@@H](C)C(=O)NC(N)=O)CC1)[NH+](C)C ZINC001167250881 832321124 /nfs/dbraw/zinc/32/11/24/832321124.db2.gz KTOFOBYXCYELFQ-RYUDHWBXSA-N 2 0 341.456 -0.214 20 0 EBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@@H](C)O1 ZINC001352730755 832361830 /nfs/dbraw/zinc/36/18/30/832361830.db2.gz RGAVBDWGTNASIQ-MGPQQGTHSA-N 2 0 328.457 -0.380 20 0 EBADRP C[NH+]1CCC(CC(=O)NCCC[NH2+]CCN2CCNC2=O)CC1 ZINC001167668674 832362309 /nfs/dbraw/zinc/36/23/09/832362309.db2.gz YQAINNRORDDFMH-UHFFFAOYSA-N 2 0 325.457 -0.161 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167667564 832362714 /nfs/dbraw/zinc/36/27/14/832362714.db2.gz LQJMIGSESXZCDF-MRXNPFEDSA-N 2 0 345.484 -0.162 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC1(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001167732789 832367812 /nfs/dbraw/zinc/36/78/12/832367812.db2.gz NEEOROXSOOHCSZ-CYBMUJFWSA-N 2 0 326.441 -0.671 20 0 EBADRP Cn1cnnc1C[NH2+]CC1(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001167732686 832368089 /nfs/dbraw/zinc/36/80/89/832368089.db2.gz MNCYMVLFKRIJCN-UHFFFAOYSA-N 2 0 338.456 -0.231 20 0 EBADRP Cn1[nH]c(C[NH2+]CC2(CCNC(=O)C34CC[NH+](CC3)C4)CC2)nc1=O ZINC001167746223 832370478 /nfs/dbraw/zinc/37/04/78/832370478.db2.gz IEKCQWJDMVWOMU-UHFFFAOYSA-N 2 0 348.451 -0.420 20 0 EBADRP CN1CC[NH+](C2CCN(CC(=O)NC3CC[NH+](C)CC3)CC2)CC1 ZINC001352923956 832382412 /nfs/dbraw/zinc/38/24/12/832382412.db2.gz AUUKKUIKMGXLSB-UHFFFAOYSA-N 2 0 337.512 -0.091 20 0 EBADRP CCn1cc(C[NH2+]CCCNC(=O)c2cnn(CC[NH+](C)C)c2)nn1 ZINC001168052801 832392287 /nfs/dbraw/zinc/39/22/87/832392287.db2.gz XDOMKSBXUZGKKR-UHFFFAOYSA-N 2 0 348.455 -0.034 20 0 EBADRP Cn1[nH]c(C[NH2+]CC2(CCNC(=O)C[NH+]3CCCC3)CC2)nc1=O ZINC001168145987 832399374 /nfs/dbraw/zinc/39/93/74/832399374.db2.gz CWSZDTQMEYWIKN-UHFFFAOYSA-N 2 0 336.440 -0.420 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCC1(C[NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001168345290 832415683 /nfs/dbraw/zinc/41/56/83/832415683.db2.gz NYAOOFVLQMVBMX-GFCCVEGCSA-N 2 0 341.456 -0.214 20 0 EBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC001353279413 832419441 /nfs/dbraw/zinc/41/94/41/832419441.db2.gz XBFQDUQJUPWIIA-AAVRWANBSA-N 2 0 340.468 -0.062 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001353284969 832419782 /nfs/dbraw/zinc/41/97/82/832419782.db2.gz ITJSJGPWVXGFNA-UKRRQHHQSA-N 2 0 339.484 -0.485 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001168755596 832434161 /nfs/dbraw/zinc/43/41/61/832434161.db2.gz ODLCCXFEBWMELR-CQSZACIVSA-N 2 0 348.513 -0.294 20 0 EBADRP CC(C)CNC(=O)C[NH2+]CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001169530914 832466960 /nfs/dbraw/zinc/46/69/60/832466960.db2.gz JOKMJDSOCKKPJP-UHFFFAOYSA-N 2 0 342.484 -0.035 20 0 EBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001169541708 832466993 /nfs/dbraw/zinc/46/69/93/832466993.db2.gz ORGYGHFFCFJITC-UHFFFAOYSA-N 2 0 328.457 -0.282 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001170222508 832493113 /nfs/dbraw/zinc/49/31/13/832493113.db2.gz LKEZYNAISMPUNK-HZPDHXFCSA-N 2 0 345.484 -0.019 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001170232708 832494128 /nfs/dbraw/zinc/49/41/28/832494128.db2.gz IWACHMYJGCDZGW-UHFFFAOYSA-N 2 0 341.456 -0.246 20 0 EBADRP COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)cnc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001170772680 832525074 /nfs/dbraw/zinc/52/50/74/832525074.db2.gz DIOVQHLAVHJMRK-ATGSNQNLSA-N 2 0 334.420 -0.142 20 0 EBADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001171161608 832549556 /nfs/dbraw/zinc/54/95/56/832549556.db2.gz PCOSJIPTIBWFSX-NEPJUHHUSA-N 2 0 327.429 -0.602 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]Cc1cccc(C(N)=O)c1 ZINC001171205270 832550686 /nfs/dbraw/zinc/55/06/86/832550686.db2.gz RSQRCFFPSXBWFX-UHFFFAOYSA-N 2 0 336.436 -0.040 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)COCC[NH+](C)C)c1nnnn1C1CC1 ZINC001171205105 832550757 /nfs/dbraw/zinc/55/07/57/832550757.db2.gz LVMXRBIZECNCJI-LBPRGKRZSA-N 2 0 339.444 -0.257 20 0 EBADRP CC(C)CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171215838 832551155 /nfs/dbraw/zinc/55/11/55/832551155.db2.gz DAHSOOFISGVKJY-CQSZACIVSA-N 2 0 330.473 -0.179 20 0 EBADRP CCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171217399 832551724 /nfs/dbraw/zinc/55/17/24/832551724.db2.gz MEUPESDDSZCBLK-AWEZNQCLSA-N 2 0 330.473 -0.035 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001171228065 832552173 /nfs/dbraw/zinc/55/21/73/832552173.db2.gz RKKYSHPTSXBPQA-GJZGRUSLSA-N 2 0 340.468 -0.423 20 0 EBADRP CN(CC[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1)S(C)(=O)=O ZINC001171219282 832552384 /nfs/dbraw/zinc/55/23/84/832552384.db2.gz XFPRWJMVRNHQSL-CYBMUJFWSA-N 2 0 334.486 -0.685 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171303583 832555404 /nfs/dbraw/zinc/55/54/04/832555404.db2.gz RNDRGRNLPKWQAE-UHFFFAOYSA-N 2 0 326.441 -0.669 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2)NC[C@@H]1CCCO1 ZINC001171303266 832555409 /nfs/dbraw/zinc/55/54/09/832555409.db2.gz CQVZETUUMSHHQU-AWEZNQCLSA-N 2 0 338.452 -0.527 20 0 EBADRP CC(C)(C)OC(=O)N1C[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CC1=O ZINC001171697608 832572373 /nfs/dbraw/zinc/57/23/73/832572373.db2.gz WFLJWEVDZAPMNX-JTQLQIEISA-N 2 0 346.388 -0.340 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001171731717 832573804 /nfs/dbraw/zinc/57/38/04/832573804.db2.gz NFUKOHDMDJBKGJ-GFCCVEGCSA-N 2 0 329.445 -0.342 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]CCN1C(=O)CCC1=O ZINC001171731696 832574278 /nfs/dbraw/zinc/57/42/78/832574278.db2.gz LOKSQKAVJSQQRD-UHFFFAOYSA-N 2 0 326.441 -0.037 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]C[C@H](O)CO[C@H](C)COC ZINC001171762361 832574632 /nfs/dbraw/zinc/57/46/32/832574632.db2.gz AYVSMOZLELCDOE-CABCVRRESA-N 2 0 333.473 -0.164 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001171770082 832576003 /nfs/dbraw/zinc/57/60/03/832576003.db2.gz LXANMXMZFWATLF-OAHLLOKOSA-N 2 0 345.484 -0.019 20 0 EBADRP C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001171873666 832577139 /nfs/dbraw/zinc/57/71/39/832577139.db2.gz TULJWTVQJKBILL-SMOJQAGNSA-N 2 0 338.452 -0.401 20 0 EBADRP CC[NH+](CC)C1CCC([NH2+][C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CC1 ZINC001173102621 832582898 /nfs/dbraw/zinc/58/28/98/832582898.db2.gz BCCNCOIVBGOEQV-ALEZWLBASA-N 2 0 332.441 -0.971 20 0 EBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)C[C@@H]1C(=O)OC ZINC001173563612 832585112 /nfs/dbraw/zinc/58/51/12/832585112.db2.gz LUZQNKMTRVWGJF-QKDCVEJESA-N 2 0 341.452 -0.046 20 0 EBADRP COC(=O)[C@@H]1C[C@@H]([N@H+](C)CCN2CC[NH+](C)CC2)C[C@@H]1C(=O)OC ZINC001173583806 832586941 /nfs/dbraw/zinc/58/69/41/832586941.db2.gz UODUURZMAQOQRB-QKDCVEJESA-N 2 0 341.452 -0.094 20 0 EBADRP C[C@@H](CCCC[NH2+]CCN1C(=O)CNC1=O)NC(=O)CC[NH+](C)C ZINC001175049072 832614027 /nfs/dbraw/zinc/61/40/27/832614027.db2.gz NTTBIEABAHLFDP-ZDUSSCGKSA-N 2 0 341.456 -0.246 20 0 EBADRP COCCS(=O)(=O)CCC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176058091 832654751 /nfs/dbraw/zinc/65/47/51/832654751.db2.gz UIVZDPLMTUURHQ-CQSZACIVSA-N 2 0 349.497 -0.515 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CC(=O)NCc2cccnc2)C1 ZINC001176072157 832655897 /nfs/dbraw/zinc/65/58/97/832655897.db2.gz MEKYNYVZBRCQSE-HNNXBMFYSA-N 2 0 333.436 -0.255 20 0 EBADRP O=C(C[NH+]1CCCC1)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001176110587 832658104 /nfs/dbraw/zinc/65/81/04/832658104.db2.gz YSKVLEFFKOMTGU-UHFFFAOYSA-N 2 0 325.413 -0.880 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001176170060 832661101 /nfs/dbraw/zinc/66/11/01/832661101.db2.gz SCHIQMZQPCLSST-ZDUSSCGKSA-N 2 0 335.470 -0.905 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[NH+]1CCCCC1 ZINC001176938304 832714541 /nfs/dbraw/zinc/71/45/41/832714541.db2.gz QCYNQLNYJGHZCA-CYBMUJFWSA-N 2 0 341.456 -0.198 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001176986135 832725819 /nfs/dbraw/zinc/72/58/19/832725819.db2.gz FVFGEJBGFTWMPN-LBPRGKRZSA-N 2 0 341.456 -0.201 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178361276 832852866 /nfs/dbraw/zinc/85/28/66/832852866.db2.gz XFZWKXKMTZERHH-IHRRRGAJSA-N 2 0 346.497 -0.401 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)CCC[NH+](C)C ZINC001179435068 832978140 /nfs/dbraw/zinc/97/81/40/832978140.db2.gz HZYVREYMYAJCRW-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179472775 832982237 /nfs/dbraw/zinc/98/22/37/832982237.db2.gz XRAAYTQMMAIINP-AGIUHOORSA-N 2 0 341.456 -0.249 20 0 EBADRP COCCOC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179481440 832982464 /nfs/dbraw/zinc/98/24/64/832982464.db2.gz HJWPWXQNEFQINZ-KKUMJFAQSA-N 2 0 331.457 -0.459 20 0 EBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)[C@H]1C ZINC001179561088 832988900 /nfs/dbraw/zinc/98/89/00/832988900.db2.gz AFGONRQTACQELI-KKUMJFAQSA-N 2 0 340.468 -0.188 20 0 EBADRP COCCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212417129 837680127 /nfs/dbraw/zinc/68/01/27/837680127.db2.gz XRPYHZAWXHIALB-HZPDHXFCSA-N 2 0 343.468 -0.051 20 0 EBADRP CCCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187106291 833900889 /nfs/dbraw/zinc/90/08/89/833900889.db2.gz DPBIGFJBCPRDHO-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]CCCO[C@H]2CCOC2)C1 ZINC001187106853 833901673 /nfs/dbraw/zinc/90/16/73/833901673.db2.gz OGCDAUUJABRQHA-CVEARBPZSA-N 2 0 343.468 -0.049 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001187121835 833903762 /nfs/dbraw/zinc/90/37/62/833903762.db2.gz NLIWLWRZHFVDPA-ZIAGYGMSSA-N 2 0 336.440 -0.466 20 0 EBADRP C[C@H](C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)CS(C)(=O)=O ZINC001187126948 833905043 /nfs/dbraw/zinc/90/50/43/833905043.db2.gz QIBWGNGAPCUYGJ-ZIAGYGMSSA-N 2 0 343.493 -0.047 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001188118072 834007927 /nfs/dbraw/zinc/00/79/27/834007927.db2.gz FWPJTNJNOOLGSC-CYBMUJFWSA-N 2 0 339.440 -0.492 20 0 EBADRP COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001188158195 834016884 /nfs/dbraw/zinc/01/68/84/834016884.db2.gz GPRXPEJNOHOPBS-HUUCEWRRSA-N 2 0 331.457 -0.459 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001188158036 834016977 /nfs/dbraw/zinc/01/69/77/834016977.db2.gz DUXNXMZNDJWSKN-GFCCVEGCSA-N 2 0 325.413 -0.931 20 0 EBADRP CC(=O)NCCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189389752 834150548 /nfs/dbraw/zinc/15/05/48/834150548.db2.gz LDTRFHLYHXTVIO-HOTGVXAUSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189659583 834177587 /nfs/dbraw/zinc/17/75/87/834177587.db2.gz DIYOUIRSNAKXJN-MELADBBJSA-N 2 0 336.436 -0.334 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001213327332 837746656 /nfs/dbraw/zinc/74/66/56/837746656.db2.gz IKXZNYXULAOIMV-AALSBFMBSA-N 2 0 343.468 -0.461 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001190643760 834307305 /nfs/dbraw/zinc/30/73/05/834307305.db2.gz CPVAVRNYLKYMQQ-NEPJUHHUSA-N 2 0 339.440 -0.413 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)[C@@H](C)C(=O)NC(N)=O)C1 ZINC001190996460 834392845 /nfs/dbraw/zinc/39/28/45/834392845.db2.gz FBEUTKUQURQUJA-NWDGAFQWSA-N 2 0 341.456 -0.167 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CCN2CCNC2=O)C1 ZINC001193290003 834826271 /nfs/dbraw/zinc/82/62/71/834826271.db2.gz CBQQECZGZRTFSM-CQSZACIVSA-N 2 0 325.457 -0.114 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@@H](C)C(=O)NC(N)=O)C1 ZINC001193612149 834914897 /nfs/dbraw/zinc/91/48/97/834914897.db2.gz ZQFJNIYPVFWRPS-QWHCGFSZSA-N 2 0 341.456 -0.166 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)[C@@H](C)C(=O)NC(N)=O)C1 ZINC001193643581 834921517 /nfs/dbraw/zinc/92/15/17/834921517.db2.gz XCWSNUVCEFZXGU-RYUDHWBXSA-N 2 0 327.429 -0.556 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001194039051 835003326 /nfs/dbraw/zinc/00/33/26/835003326.db2.gz LXQLQTGINUVVOB-RRFJBIMHSA-N 2 0 341.452 -0.969 20 0 EBADRP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194103111 835025071 /nfs/dbraw/zinc/02/50/71/835025071.db2.gz VBHGKSTYFZHSDS-ZIAGYGMSSA-N 2 0 329.441 -0.848 20 0 EBADRP CC[C@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194290370 835073909 /nfs/dbraw/zinc/07/39/09/835073909.db2.gz UCSHPNHGGADNID-RBSFLKMASA-N 2 0 349.435 -0.667 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001194309937 835078762 /nfs/dbraw/zinc/07/87/62/835078762.db2.gz XEEZCCOJNDVMGJ-NUEKZKHPSA-N 2 0 348.403 -0.575 20 0 EBADRP CCCC[C@@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708166 835275448 /nfs/dbraw/zinc/27/54/48/835275448.db2.gz GUEDRRALUKZQFD-HZSPNIEDSA-N 2 0 328.457 -0.466 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1O ZINC001195859139 835300582 /nfs/dbraw/zinc/30/05/82/835300582.db2.gz FLGRFDCEIGPCCB-GVDBMIGSSA-N 2 0 335.448 -0.297 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC[C@@H]2CO1)N1CCC[N@@H+](CCOCCO)CC1 ZINC001195908101 835308765 /nfs/dbraw/zinc/30/87/65/835308765.db2.gz UFOKOVDKXZOGDN-CVEARBPZSA-N 2 0 341.452 -0.607 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCCN(CCN2C(=O)CNC2=O)CC1 ZINC001197707908 835599522 /nfs/dbraw/zinc/59/95/22/835599522.db2.gz QPGBLFGMTIMVTD-UHFFFAOYSA-N 2 0 339.440 -0.586 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCCN(CCNS(=O)(=O)CC)CC1 ZINC001197708144 835599629 /nfs/dbraw/zinc/59/96/29/835599629.db2.gz XPSOONTYWCLROL-UHFFFAOYSA-N 2 0 348.513 -0.198 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCCN(CCN(C)S(C)(=O)=O)CC1 ZINC001197708117 835600014 /nfs/dbraw/zinc/60/00/14/835600014.db2.gz WOGAHASZRFKBPZ-UHFFFAOYSA-N 2 0 348.513 -0.246 20 0 EBADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001199017421 835751130 /nfs/dbraw/zinc/75/11/30/835751130.db2.gz GVJMGZIAJNMQAM-HUUCEWRRSA-N 2 0 329.441 -0.967 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001199787883 835861269 /nfs/dbraw/zinc/86/12/69/835861269.db2.gz GURMGHWGBHHGGN-WCQYABFASA-N 2 0 339.440 -0.495 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200115511 835910600 /nfs/dbraw/zinc/91/06/00/835910600.db2.gz MZLMSQCHWCJFNU-KBPBESRZSA-N 2 0 326.441 -0.624 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCCO[C@H](C[NH2+]CCCO)C1 ZINC001200529371 835980673 /nfs/dbraw/zinc/98/06/73/835980673.db2.gz UIVUVFXPEWVPEK-HZPDHXFCSA-N 2 0 325.453 -0.082 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001200634696 835998696 /nfs/dbraw/zinc/99/86/96/835998696.db2.gz JKMRWSMOCFSULS-CHWSQXEVSA-N 2 0 332.420 -0.641 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CCCO1 ZINC001200687918 836014304 /nfs/dbraw/zinc/01/43/04/836014304.db2.gz IBYKOTOBBKOGBN-HOCLYGCPSA-N 2 0 340.468 -0.378 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCCO1 ZINC001200687771 836014473 /nfs/dbraw/zinc/01/44/73/836014473.db2.gz HDQLMQGZABAWNI-CYBMUJFWSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]([NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1)C(N)=O ZINC001200704837 836020281 /nfs/dbraw/zinc/02/02/81/836020281.db2.gz PYJMPDCCCQTMJF-OCCSQVGLSA-N 2 0 326.441 -0.448 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCCO1 ZINC001200795417 836035172 /nfs/dbraw/zinc/03/51/72/836035172.db2.gz JLWZJGIIRMFOLZ-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[C@H](C(=O)N1CCCO[C@H](C[NH2+]C[C@@H](O)COC)C1)[NH+](C)C ZINC001200795440 836035294 /nfs/dbraw/zinc/03/52/94/836035294.db2.gz KBLLNNBGAAPXBV-RBSFLKMASA-N 2 0 331.457 -0.459 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CCCO[C@@H](C[NH2+]CCOCCO)C1 ZINC001200851333 836047967 /nfs/dbraw/zinc/04/79/67/836047967.db2.gz NRRNYQFBZIESTP-HNNXBMFYSA-N 2 0 345.484 -0.067 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1)C1CC1 ZINC001201052004 836084495 /nfs/dbraw/zinc/08/44/95/836084495.db2.gz CKJGAISHVNXLID-AWEZNQCLSA-N 2 0 346.497 -0.544 20 0 EBADRP NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CCCO1 ZINC001201062120 836085534 /nfs/dbraw/zinc/08/55/34/836085534.db2.gz IDWMOHBYTJVVIB-ZBFHGGJFSA-N 2 0 338.452 -0.447 20 0 EBADRP C[C@H]([NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001201053871 836085602 /nfs/dbraw/zinc/08/56/02/836085602.db2.gz ZVKJZEUIPMOVIX-GXFFZTMASA-N 2 0 339.440 -0.509 20 0 EBADRP C[C@@H]([NH2+]C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1)C(=O)NC(N)=O ZINC001201066110 836087664 /nfs/dbraw/zinc/08/76/64/836087664.db2.gz FTLSMAPNUIBCNV-LLVKDONJSA-N 2 0 339.440 -0.365 20 0 EBADRP CC[C@H](C(=O)N1CCC([NH2+]CCN(C)S(C)(=O)=O)CC1)[NH+](C)C ZINC001201239003 836115674 /nfs/dbraw/zinc/11/56/74/836115674.db2.gz GCTQREVFKNXPHC-CQSZACIVSA-N 2 0 348.513 -0.201 20 0 EBADRP CC[C@H]([NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CCCO1)C(N)=O ZINC001201277805 836122178 /nfs/dbraw/zinc/12/21/78/836122178.db2.gz XWRPHKFPHPXFRF-KGLIPLIRSA-N 2 0 328.457 -0.201 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001201321006 836129735 /nfs/dbraw/zinc/12/97/35/836129735.db2.gz FBJMFUQRQXWPEY-UHFFFAOYSA-N 2 0 338.456 -0.081 20 0 EBADRP C[NH+](C)CCC(=O)N1CCCO[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001201335337 836131305 /nfs/dbraw/zinc/13/13/05/836131305.db2.gz NCUMQKMMIUKJKQ-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCCO[C@@H](C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001201404827 836141283 /nfs/dbraw/zinc/14/12/83/836141283.db2.gz XMNDCDVKOCGEIS-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+]1CCC(CC(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001201567812 836161059 /nfs/dbraw/zinc/16/10/59/836161059.db2.gz BTOYTFNJMPRECB-AWEZNQCLSA-N 2 0 326.441 -0.589 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCCO[C@H](C[NH2+][C@H](C)C(=O)NC)C1 ZINC001201679073 836174482 /nfs/dbraw/zinc/17/44/82/836174482.db2.gz RXANOVOVXQBUJJ-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001201678514 836174809 /nfs/dbraw/zinc/17/48/09/836174809.db2.gz KWFRNVYRBQEKDL-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP COCC[NH2+]C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CCCO1 ZINC001201725297 836182865 /nfs/dbraw/zinc/18/28/65/836182865.db2.gz AKLKKXOHFULCHI-INIZCTEOSA-N 2 0 343.468 -0.049 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)CCCO1 ZINC001201801396 836194820 /nfs/dbraw/zinc/19/48/20/836194820.db2.gz XWCXYXQROAJPTK-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP C[C@@H](O)CCC[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201863288 836207200 /nfs/dbraw/zinc/20/72/00/836207200.db2.gz KQCCSRWLCJFKAF-HZPDHXFCSA-N 2 0 345.484 -0.067 20 0 EBADRP CCOCC[NH2+]C[C@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201863653 836207943 /nfs/dbraw/zinc/20/79/43/836207943.db2.gz OSCJFFZZXYHLIZ-HNNXBMFYSA-N 2 0 331.457 -0.192 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCCO[C@H](C[NH2+]CCOCCO)C2)C1 ZINC001201863987 836208006 /nfs/dbraw/zinc/20/80/06/836208006.db2.gz RIBDXUBJVXSYPM-HZPDHXFCSA-N 2 0 343.468 -0.456 20 0 EBADRP COC[C@@H](C)[NH2+]C[C@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201864208 836208082 /nfs/dbraw/zinc/20/80/82/836208082.db2.gz UFDAHJPJLWCKGX-CABCVRRESA-N 2 0 331.457 -0.193 20 0 EBADRP O=C(N1CCCO[C@@H](C[NH2+]CCn2cncn2)C1)C12CC[NH+](CC1)C2 ZINC001201873558 836209829 /nfs/dbraw/zinc/20/98/29/836209829.db2.gz XGEHKRPEOLIYSQ-HNNXBMFYSA-N 2 0 348.451 -0.419 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001201908959 836213843 /nfs/dbraw/zinc/21/38/43/836213843.db2.gz SFNXVZNFDYCGOS-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCCO[C@H](C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001201932505 836217821 /nfs/dbraw/zinc/21/78/21/836217821.db2.gz ZRUUQDFPGAPZKF-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001201931625 836218374 /nfs/dbraw/zinc/21/83/74/836218374.db2.gz MSFPDWBSFOZHBR-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202049127 836242816 /nfs/dbraw/zinc/24/28/16/836242816.db2.gz KYVKSSDRXAOVLS-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP CC[C@H]([NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1)C(N)=O ZINC001202057179 836243006 /nfs/dbraw/zinc/24/30/06/836243006.db2.gz DRJOQXVHLASLAO-KBPBESRZSA-N 2 0 326.441 -0.447 20 0 EBADRP NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCCO1 ZINC001202086229 836251514 /nfs/dbraw/zinc/25/15/14/836251514.db2.gz BXXMMRHIPBHIKO-OAHLLOKOSA-N 2 0 340.468 -0.055 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001202148265 836262974 /nfs/dbraw/zinc/26/29/74/836262974.db2.gz SRQGCRVFHUKITL-ZBFHGGJFSA-N 2 0 340.468 -0.201 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCCO1 ZINC001202162904 836263814 /nfs/dbraw/zinc/26/38/14/836263814.db2.gz BKNGEIGXACRLOM-HUUCEWRRSA-N 2 0 331.457 -0.459 20 0 EBADRP C[C@@H]([NH2+]C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1)C(=O)NC(N)=O ZINC001202224882 836278711 /nfs/dbraw/zinc/27/87/11/836278711.db2.gz KRUXGTJNFLVWGS-LLVKDONJSA-N 2 0 339.440 -0.508 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC([NH2+]C[C@H](O)CN2CCCC2=O)CC1 ZINC001202315751 836290400 /nfs/dbraw/zinc/29/04/00/836290400.db2.gz FQTDWBXVPXMRIK-HNNXBMFYSA-N 2 0 340.468 -0.498 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202316187 836290711 /nfs/dbraw/zinc/29/07/11/836290711.db2.gz QJRIQQLRRCFAJL-UHFFFAOYSA-N 2 0 341.456 -0.246 20 0 EBADRP CC[C@@H](C(=O)N1CCC([NH2+]C[C@@H](O)COCCOC)CC1)[NH+](C)C ZINC001202531541 836311092 /nfs/dbraw/zinc/31/10/92/836311092.db2.gz JALFGVUSDMGFPU-CVEARBPZSA-N 2 0 345.484 -0.069 20 0 EBADRP CN(C(=O)C[NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1)C1CC1 ZINC001203336972 836421065 /nfs/dbraw/zinc/42/10/65/836421065.db2.gz CCMDYTOQBNGDGG-UHFFFAOYSA-N 2 0 340.468 -0.234 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC([NH2+]CCNS(C)(=O)=O)CC2)C1 ZINC001203337598 836422667 /nfs/dbraw/zinc/42/26/67/836422667.db2.gz MOGQSWZTVLDWQW-CYBMUJFWSA-N 2 0 346.497 -0.542 20 0 EBADRP CCn1cc(C[NH2+]C2CCN(C(=O)COCC[NH+](C)C)CC2)nn1 ZINC001203348985 836423271 /nfs/dbraw/zinc/42/32/71/836423271.db2.gz FIZSRCXZOLRETC-UHFFFAOYSA-N 2 0 338.456 -0.043 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC([NH2+]CCS(C)(=O)=O)CC1 ZINC001203348923 836423725 /nfs/dbraw/zinc/42/37/25/836423725.db2.gz DXFHOABEGVHDSF-UHFFFAOYSA-N 2 0 335.470 -0.810 20 0 EBADRP CC(C)CNC(=O)C[NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001203349776 836424504 /nfs/dbraw/zinc/42/45/04/836424504.db2.gz YFKXRKGKTOMNLJ-UHFFFAOYSA-N 2 0 342.484 -0.083 20 0 EBADRP CCNC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)COCC[NH+](C)C)C12CCC2 ZINC001203614043 836453268 /nfs/dbraw/zinc/45/32/68/836453268.db2.gz HHUUYQGHLFHSQZ-ZIAGYGMSSA-N 2 0 340.468 -0.282 20 0 EBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)COCC[NH+](C)C)C12CCC2 ZINC001203614828 836454149 /nfs/dbraw/zinc/45/41/49/836454149.db2.gz LFXDUGFZJGLDSW-QWHCGFSZSA-N 2 0 326.441 -0.672 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001203699047 836463336 /nfs/dbraw/zinc/46/33/36/836463336.db2.gz DWYXUNAOXFTNBB-CYBMUJFWSA-N 2 0 346.497 -0.542 20 0 EBADRP COCCCNC(=O)C[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001203705308 836464298 /nfs/dbraw/zinc/46/42/98/836464298.db2.gz SKNHVDUKMRMCHG-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001203709131 836465795 /nfs/dbraw/zinc/46/57/95/836465795.db2.gz LPASRJPWSWSJEG-HOCLYGCPSA-N 2 0 343.468 -0.457 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001203904423 836486663 /nfs/dbraw/zinc/48/66/63/836486663.db2.gz WFHAYIKLLXHSHC-ZDUSSCGKSA-N 2 0 339.440 -0.364 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001206151959 836625800 /nfs/dbraw/zinc/62/58/00/836625800.db2.gz AAANYHMMJMMZJX-UHFFFAOYSA-N 2 0 327.429 -0.778 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001206153399 836626743 /nfs/dbraw/zinc/62/67/43/836626743.db2.gz WEMPNLFTOMLEKQ-MRXNPFEDSA-N 2 0 345.484 -0.210 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001206281168 836635325 /nfs/dbraw/zinc/63/53/25/836635325.db2.gz DDHOLJZELCEEDE-WCQYABFASA-N 2 0 339.440 -0.793 20 0 EBADRP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001206585847 836658373 /nfs/dbraw/zinc/65/83/73/836658373.db2.gz FXXVCZCLAKTQEB-FVQBIDKESA-N 2 0 340.468 -0.330 20 0 EBADRP Cn1ncc(C[NH2+]CC2CCN(C(=O)COCC[NH+](C)C)CC2)n1 ZINC001206873865 836685604 /nfs/dbraw/zinc/68/56/04/836685604.db2.gz SVWLXKUKYAHSID-UHFFFAOYSA-N 2 0 338.456 -0.279 20 0 EBADRP CC[C@H]([NH2+]CC1CCN(C(=O)COCC[NH+](C)C)CC1)C(N)=O ZINC001206872502 836685800 /nfs/dbraw/zinc/68/58/00/836685800.db2.gz HJZXPMWRRQVZBL-AWEZNQCLSA-N 2 0 328.457 -0.343 20 0 EBADRP COC(C[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C)OC ZINC001207249135 836766843 /nfs/dbraw/zinc/76/68/43/836766843.db2.gz KTQGZSXHGHKINC-UHFFFAOYSA-N 2 0 342.484 -0.225 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001207683644 836843114 /nfs/dbraw/zinc/84/31/14/836843114.db2.gz FVFXVIDJCKBAFC-UONOGXRCSA-N 2 0 346.497 -0.400 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001207687669 836845402 /nfs/dbraw/zinc/84/54/02/836845402.db2.gz ICXKHPRFVKAQST-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001208334513 836999021 /nfs/dbraw/zinc/99/90/21/836999021.db2.gz JFSRDDLUPWABJL-TZMCWYRMSA-N 2 0 339.440 -0.637 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001208334511 837000196 /nfs/dbraw/zinc/00/01/96/837000196.db2.gz JFSRDDLUPWABJL-JSGCOSHPSA-N 2 0 339.440 -0.637 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208423933 837029378 /nfs/dbraw/zinc/02/93/78/837029378.db2.gz RDGOSQPSWNFNQZ-VXGBXAGGSA-N 2 0 325.413 -0.754 20 0 EBADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208434825 837039723 /nfs/dbraw/zinc/03/97/23/837039723.db2.gz DEJWBDAKXJAMQQ-ZIAGYGMSSA-N 2 0 337.468 -0.210 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001208453619 837044796 /nfs/dbraw/zinc/04/47/96/837044796.db2.gz LGUIKXUHGSNEKA-GFCCVEGCSA-N 2 0 341.456 -0.247 20 0 EBADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208494039 837065030 /nfs/dbraw/zinc/06/50/30/837065030.db2.gz CBHARPGOAAAYNM-RBSFLKMASA-N 2 0 331.457 -0.602 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001208563639 837085287 /nfs/dbraw/zinc/08/52/87/837085287.db2.gz ABXLQWDXMJYUAG-LBPRGKRZSA-N 2 0 344.375 -0.277 20 0 EBADRP CC(C)(C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+]1CCCC1 ZINC001208919895 837121200 /nfs/dbraw/zinc/12/12/00/837121200.db2.gz XIHAUBFVCWNCCA-GFCCVEGCSA-N 2 0 339.440 -0.364 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209324982 837156022 /nfs/dbraw/zinc/15/60/22/837156022.db2.gz VMMRDGIAVYJERP-GFCCVEGCSA-N 2 0 327.429 -0.636 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+](CC)CC ZINC001209615104 837181801 /nfs/dbraw/zinc/18/18/01/837181801.db2.gz SEFYGRNZWMNXTK-QWHCGFSZSA-N 2 0 341.456 -0.118 20 0 EBADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001209836353 837204169 /nfs/dbraw/zinc/20/41/69/837204169.db2.gz LKFNNRBXEHEWAP-GDBMZVCRSA-N 2 0 343.468 -0.457 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001210492874 837289381 /nfs/dbraw/zinc/28/93/81/837289381.db2.gz FFSMOCRVZRUQID-LBPRGKRZSA-N 2 0 327.429 -0.636 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001210493018 837290412 /nfs/dbraw/zinc/29/04/12/837290412.db2.gz HOYIWTSGBYEJIT-QWHCGFSZSA-N 2 0 341.456 -0.247 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)COCCOC)C1 ZINC001210494308 837290851 /nfs/dbraw/zinc/29/08/51/837290851.db2.gz UMDQEJLKECUWIL-HZPDHXFCSA-N 2 0 345.484 -0.067 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCCOC)C[C@H]1C ZINC001210521867 837292361 /nfs/dbraw/zinc/29/23/61/837292361.db2.gz WZKRWQGPCGNFAW-BZUAXINKSA-N 2 0 345.484 -0.211 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001210673439 837316095 /nfs/dbraw/zinc/31/60/95/837316095.db2.gz CCUJBIDIIOTOHX-UONOGXRCSA-N 2 0 346.497 -0.542 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001210674575 837316951 /nfs/dbraw/zinc/31/69/51/837316951.db2.gz ZNWANJAHHCBXTH-KBPBESRZSA-N 2 0 331.482 -0.047 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001210685122 837320105 /nfs/dbraw/zinc/32/01/05/837320105.db2.gz NZZZCUSVZCTOEB-DZGCQCFKSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)NC(N)=O ZINC001210685315 837320314 /nfs/dbraw/zinc/32/03/14/837320314.db2.gz SPYNHWANFZVWKO-NWDGAFQWSA-N 2 0 337.424 -0.754 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)COCC[NH+](C)C)C1)C(=O)N(C)C ZINC001210685799 837320883 /nfs/dbraw/zinc/32/08/83/837320883.db2.gz ZTUUFBNLJKJLRX-KGLIPLIRSA-N 2 0 328.457 -0.378 20 0 EBADRP CN(CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001211064172 837377599 /nfs/dbraw/zinc/37/75/99/837377599.db2.gz JLHVWRHVLXCRMH-UONOGXRCSA-N 2 0 346.497 -0.590 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211064842 837378918 /nfs/dbraw/zinc/37/89/18/837378918.db2.gz RCNFLANTNPLYJA-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001211072580 837379757 /nfs/dbraw/zinc/37/97/57/837379757.db2.gz UDLHXJSFHAEEDM-QWHCGFSZSA-N 2 0 332.470 -0.932 20 0 EBADRP CS(=O)(=O)NCC[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211081512 837380700 /nfs/dbraw/zinc/38/07/00/837380700.db2.gz KUFSWNCCGWYREQ-ZDUSSCGKSA-N 2 0 332.470 -0.788 20 0 EBADRP CS(=O)(=O)NCC[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211081511 837381129 /nfs/dbraw/zinc/38/11/29/837381129.db2.gz KUFSWNCCGWYREQ-CYBMUJFWSA-N 2 0 332.470 -0.788 20 0 EBADRP CO[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730070 837854499 /nfs/dbraw/zinc/85/44/99/837854499.db2.gz CFONCOXPSLPUNO-ARFHVFGLSA-N 2 0 343.468 -0.051 20 0 EBADRP COCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213864021 837887906 /nfs/dbraw/zinc/88/79/06/837887906.db2.gz XXGGSSSZNXTNHZ-BZUAXINKSA-N 2 0 343.468 -0.193 20 0 EBADRP C[C@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001319476221 838135710 /nfs/dbraw/zinc/13/57/10/838135710.db2.gz FAZYLCSHRQPEPF-KGLIPLIRSA-N 2 0 325.457 -0.068 20 0 EBADRP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCN1C(=O)CNC1=O ZINC001319935895 838197073 /nfs/dbraw/zinc/19/70/73/838197073.db2.gz MQKTZWCSSIJTRW-CHWSQXEVSA-N 2 0 339.440 -0.637 20 0 EBADRP Cc1nc(C)n(CC[NH2+]C[C@H](O)CNC(=O)C2([NH+](C)C)CCC2)n1 ZINC001320236027 838720247 /nfs/dbraw/zinc/72/02/47/838720247.db2.gz UVDRVOUGJUSLIJ-AWEZNQCLSA-N 2 0 338.456 -0.554 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]CCS(C)(=O)=O)CC1 ZINC001320292101 838746132 /nfs/dbraw/zinc/74/61/32/838746132.db2.gz IPEDIMLPMLEKDH-AWEZNQCLSA-N 2 0 349.497 -0.782 20 0 EBADRP CN(CC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C)S(C)(=O)=O ZINC001321121116 838911711 /nfs/dbraw/zinc/91/17/11/838911711.db2.gz QNANRHAEQDDPIX-GEXIGZQTSA-N 2 0 346.497 -0.376 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NC(N)=O ZINC001321279688 838949439 /nfs/dbraw/zinc/94/94/39/838949439.db2.gz JYVWHWKQCJHIAN-ZFDPJTLLSA-N 2 0 339.440 -0.294 20 0 EBADRP C[C@H](C[NH2+]CCN1C(=O)CNC1=O)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001321722553 839062642 /nfs/dbraw/zinc/06/26/42/839062642.db2.gz FVXRGSSLTXCHRL-WBMJQRKESA-N 2 0 337.424 -0.882 20 0 EBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CCC1 ZINC001322235070 839159546 /nfs/dbraw/zinc/15/95/46/839159546.db2.gz PJTPUQISNNJMPF-UHFFFAOYSA-N 2 0 331.420 -0.058 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC001322731369 839245415 /nfs/dbraw/zinc/24/54/15/839245415.db2.gz BERXPIZVWTUKHR-SOUVJXGZSA-N 2 0 337.468 -0.909 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001322796782 839266715 /nfs/dbraw/zinc/26/67/15/839266715.db2.gz QNYKJLJZANJMOG-ZDUSSCGKSA-N 2 0 329.445 -0.534 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCN1C(=O)CCC1=O)C1CC1 ZINC001322972018 839311725 /nfs/dbraw/zinc/31/17/25/839311725.db2.gz ZZIMLPIONYDNQM-KGLIPLIRSA-N 2 0 336.436 -0.286 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCN1C(=O)CCC1=O)C1CC1 ZINC001322972020 839312177 /nfs/dbraw/zinc/31/21/77/839312177.db2.gz ZZIMLPIONYDNQM-ZIAGYGMSSA-N 2 0 336.436 -0.286 20 0 EBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001325387600 839857843 /nfs/dbraw/zinc/85/78/43/839857843.db2.gz VMCFLCYXCBXCDN-CYBMUJFWSA-N 2 0 349.435 -0.147 20 0 EBADRP O=C(N(CCO)CC[NH2+]CC[C@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001326134429 840042981 /nfs/dbraw/zinc/04/29/81/840042981.db2.gz DRMIIQHESDNPTK-HNNXBMFYSA-N 2 0 325.453 -0.081 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N(CCO)CC[NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC001326146340 840047445 /nfs/dbraw/zinc/04/74/45/840047445.db2.gz KEFLKLYUJULKDX-MRXNPFEDSA-N 2 0 348.447 -0.352 20 0 EBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC001326182064 840058246 /nfs/dbraw/zinc/05/82/46/840058246.db2.gz DGNQVYHXLJGSCN-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH+](C)C1(C(=O)N2CC[C@H](CC[NH2+]CC(=O)NC(N)=O)C2)CCC1 ZINC001326291281 840082386 /nfs/dbraw/zinc/08/23/86/840082386.db2.gz ZVFPAGGOSNUSDU-LBPRGKRZSA-N 2 0 339.440 -0.506 20 0 EBADRP C[NH+](C)C1(C(=O)N2CC[C@@H](CC[NH2+]CC(=O)NC(N)=O)C2)CCC1 ZINC001326291280 840082464 /nfs/dbraw/zinc/08/24/64/840082464.db2.gz ZVFPAGGOSNUSDU-GFCCVEGCSA-N 2 0 339.440 -0.506 20 0 EBADRP Cn1nnnc1C[NH2+]CC[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001326349088 840089697 /nfs/dbraw/zinc/08/96/97/840089697.db2.gz JEFIYGYTZBLCDU-CYBMUJFWSA-N 2 0 335.456 -0.120 20 0 EBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC001326584140 840141328 /nfs/dbraw/zinc/14/13/28/840141328.db2.gz RZWQPFXIFLRNSK-CYUUQNCZSA-N 2 0 348.451 -0.728 20 0 EBADRP C[NH2+]Cc1ccccc1CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001326590122 840142712 /nfs/dbraw/zinc/14/27/12/840142712.db2.gz ICVWSUKPEJWGFA-MRXNPFEDSA-N 2 0 347.463 -0.616 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NCCC2CC[NH2+]CC2)cn1 ZINC001326858192 840220335 /nfs/dbraw/zinc/22/03/35/840220335.db2.gz IQFXZLCQKKPOHY-UHFFFAOYSA-N 2 0 336.440 -0.111 20 0 EBADRP CN(CCC[N@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001327276499 840348268 /nfs/dbraw/zinc/34/82/68/840348268.db2.gz COMIVOHLWDBHLH-UONOGXRCSA-N 2 0 338.452 -0.086 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H](C)C1O ZINC001327291056 840353498 /nfs/dbraw/zinc/35/34/98/840353498.db2.gz QEEDMALMVZFKPL-KBPBESRZSA-N 2 0 342.484 -0.587 20 0 EBADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC001327515244 840441476 /nfs/dbraw/zinc/44/14/76/840441476.db2.gz LCTBNQTYNHOSPT-HIFRSBDPSA-N 2 0 338.452 -0.386 20 0 EBADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC001327515246 840441896 /nfs/dbraw/zinc/44/18/96/840441896.db2.gz LCTBNQTYNHOSPT-UKRRQHHQSA-N 2 0 338.452 -0.386 20 0 EBADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001327898928 840543085 /nfs/dbraw/zinc/54/30/85/840543085.db2.gz DFPDVYDDNOCDST-OLZOCXBDSA-N 2 0 346.497 -0.686 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CC1(O)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001328208322 840620942 /nfs/dbraw/zinc/62/09/42/840620942.db2.gz YMXNXSQRQKQBRV-AWEZNQCLSA-N 2 0 342.484 -0.204 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001328348400 840658107 /nfs/dbraw/zinc/65/81/07/840658107.db2.gz AWXIRHMFINUVIK-OKILXGFUSA-N 2 0 337.468 -0.162 20 0 EBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCC(OCCC[NH3+])CC1 ZINC001329380874 840906084 /nfs/dbraw/zinc/90/60/84/840906084.db2.gz ZMEQJIQPLCCWNM-UHFFFAOYSA-N 2 0 334.486 -0.255 20 0 EBADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CCCN1C(=O)CNC1=O ZINC001329399026 840910048 /nfs/dbraw/zinc/91/00/48/840910048.db2.gz VKRJCPUFJFVGPD-STQMWFEESA-N 2 0 339.440 -0.541 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC001329450299 840924777 /nfs/dbraw/zinc/92/47/77/840924777.db2.gz YMFPGWBCOWIMPD-CABCVRRESA-N 2 0 340.468 -0.424 20 0 EBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)C1 ZINC001329504955 840942175 /nfs/dbraw/zinc/94/21/75/840942175.db2.gz RAXXSKXJAUMZFO-AWEZNQCLSA-N 2 0 337.468 -0.955 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001329841131 841037125 /nfs/dbraw/zinc/03/71/25/841037125.db2.gz BWOKUFPGIGRWOA-OCCSQVGLSA-N 2 0 326.441 -0.530 20 0 EBADRP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CCC[NH2+]CC3)cn2)CC1 ZINC001329937356 841067333 /nfs/dbraw/zinc/06/73/33/841067333.db2.gz JGZVKOSFBPRHAF-UHFFFAOYSA-N 2 0 334.424 -0.090 20 0 EBADRP C[NH+]1CCN(c2ccccc2CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC001330024204 841097423 /nfs/dbraw/zinc/09/74/23/841097423.db2.gz NRUYRMURDSCKQD-OAHLLOKOSA-N 2 0 345.447 -0.467 20 0 EBADRP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001330528190 841229278 /nfs/dbraw/zinc/22/92/78/841229278.db2.gz KEBPEBZGAMSRAA-HIFRSBDPSA-N 2 0 338.452 -0.528 20 0 EBADRP CN(CCOCCNC(=O)[C@H]1C[NH+]2CCC1CC2)CC(=O)N(C)C ZINC001331123181 841344078 /nfs/dbraw/zinc/34/40/78/841344078.db2.gz QCATVCBMPOSFLZ-HNNXBMFYSA-N 2 0 340.468 -0.519 20 0 EBADRP CCN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CC[NH2+]C1 ZINC001331167346 841361716 /nfs/dbraw/zinc/36/17/16/841361716.db2.gz GFGQOMSJXZAIOG-LSDHHAIUSA-N 2 0 338.452 -0.434 20 0 EBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1(C)C ZINC001331169532 841363418 /nfs/dbraw/zinc/36/34/18/841363418.db2.gz WITIRNMRJLEBHJ-ZIAGYGMSSA-N 2 0 339.484 -0.485 20 0 EBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC2)CC1 ZINC001331233637 841376072 /nfs/dbraw/zinc/37/60/72/841376072.db2.gz PETGVEUQTXZINV-UHFFFAOYSA-N 2 0 339.484 -0.532 20 0 EBADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001331512295 841419611 /nfs/dbraw/zinc/41/96/11/841419611.db2.gz BXAXJAYRLROQSJ-BARDWOONSA-N 2 0 342.484 -0.134 20 0 EBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC001331754162 841483145 /nfs/dbraw/zinc/48/31/45/841483145.db2.gz OGQWLNZQIYUEMC-CYBMUJFWSA-N 2 0 326.441 -0.589 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CCCN2CCCC2=O)C1 ZINC001331836012 841515763 /nfs/dbraw/zinc/51/57/63/841515763.db2.gz OBUPXKQDMBAWLZ-KBPBESRZSA-N 2 0 326.441 -0.983 20 0 EBADRP CCN1CC[NH+](CCCC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001331960061 841538981 /nfs/dbraw/zinc/53/89/81/841538981.db2.gz PXLGHXFQMUQNJN-SFHVURJKSA-N 3 0 341.544 -0.398 20 0 EBADRP C[NH+]1CCC(n2cc(NC(=O)C(=O)NCC34CC(C3)C[NH2+]4)cn2)CC1 ZINC001332118126 841578050 /nfs/dbraw/zinc/57/80/50/841578050.db2.gz DQXAFWXIZZCCPA-UHFFFAOYSA-N 2 0 346.435 -0.044 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CCCO1 ZINC001332232556 841596105 /nfs/dbraw/zinc/59/61/05/841596105.db2.gz OBZSAZLBYDJTII-KFWWJZLASA-N 2 0 340.468 -0.010 20 0 EBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)C[NH+]1CCN(C)CC1 ZINC001332303246 841610281 /nfs/dbraw/zinc/61/02/81/841610281.db2.gz SNBUNQOQCOPNDL-KFWWJZLASA-N 2 0 339.484 -0.628 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001332303735 841610293 /nfs/dbraw/zinc/61/02/93/841610293.db2.gz UZPWCVOVCHEUDS-KKUMJFAQSA-N 2 0 339.484 -0.770 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001332303178 841610491 /nfs/dbraw/zinc/61/04/91/841610491.db2.gz DUFIJWJGOPDUDE-OAHLLOKOSA-N 2 0 339.484 -0.676 20 0 EBADRP CN(C[C@H](O)C[NH2+]CCCN1CCCC1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001332549318 841667030 /nfs/dbraw/zinc/66/70/30/841667030.db2.gz AHXHGZIXLSFIMF-HUUCEWRRSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001332694164 841720333 /nfs/dbraw/zinc/72/03/33/841720333.db2.gz SGKKMJWVAWCVBD-BBRMVZONSA-N 2 0 326.441 -0.732 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC001332976827 841774313 /nfs/dbraw/zinc/77/43/13/841774313.db2.gz SVIWPFRJHMSCCV-YOEHRIQHSA-N 2 0 340.468 -0.140 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)C1 ZINC001333376061 841861747 /nfs/dbraw/zinc/86/17/47/841861747.db2.gz RGABCMWFLCHSTO-HZSPNIEDSA-N 2 0 326.441 -0.593 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCN1c1cc[nH+]cc1 ZINC001333436598 841878233 /nfs/dbraw/zinc/87/82/33/841878233.db2.gz DDRUZPBHZMMVON-MELADBBJSA-N 2 0 331.420 -0.028 20 0 EBADRP [NH3+]CC(=O)NCC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001333733981 841934659 /nfs/dbraw/zinc/93/46/59/841934659.db2.gz ZDGLNRUCERVRCZ-HNNXBMFYSA-N 2 0 331.420 -0.016 20 0 EBADRP CCC1([NH3+])CCN(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC001333909694 841963917 /nfs/dbraw/zinc/96/39/17/841963917.db2.gz MZRKQBPJJNQTHE-UHFFFAOYSA-N 2 0 340.468 -0.057 20 0 EBADRP COC[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001333943210 841971868 /nfs/dbraw/zinc/97/18/68/841971868.db2.gz WQAUCZIHMLRJCJ-DZGCQCFKSA-N 2 0 340.468 -0.236 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001333943004 841972161 /nfs/dbraw/zinc/97/21/61/841972161.db2.gz INBNTYSYHULJBZ-MCIONIFRSA-N 2 0 338.452 -0.448 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001335184431 842217573 /nfs/dbraw/zinc/21/75/73/842217573.db2.gz NLEQRNQUSXIFSB-UMVBOHGHSA-N 2 0 338.452 -0.672 20 0 EBADRP O=C(NCC[NH+]1CC=CC1)[C@H]1CC[C@@H]1C(=O)NCC[NH+]1CC=CC1 ZINC001335513964 842297514 /nfs/dbraw/zinc/29/75/14/842297514.db2.gz YXTHLAAGMIRDAV-HOTGVXAUSA-N 2 0 332.448 -0.011 20 0 EBADRP C[NH+]1CCC[C@@H]1C(=O)NCCOCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001335604745 842314323 /nfs/dbraw/zinc/31/43/23/842314323.db2.gz LFMVJVLYUYFBIV-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)C[C@@H]2C1 ZINC001336118865 842400064 /nfs/dbraw/zinc/40/00/64/842400064.db2.gz LNSZPPQSMWIINQ-RFBLXINOSA-N 2 0 334.464 -0.147 20 0 EBADRP O=C(NCCCCCN1CC[NH2+]CC1)NCC[N@H+]1CC[C@@H](O)C1 ZINC001336194428 842413880 /nfs/dbraw/zinc/41/38/80/842413880.db2.gz VWJIBSGEKOXMMW-OAHLLOKOSA-N 2 0 327.473 -0.572 20 0 EBADRP C[NH2+]C1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC001336293460 842430151 /nfs/dbraw/zinc/43/01/51/842430151.db2.gz CXDMUOOSMUVMRG-HUUCEWRRSA-N 2 0 338.452 -0.746 20 0 EBADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC001336554588 842491641 /nfs/dbraw/zinc/49/16/41/842491641.db2.gz CKQQHMPVROESHA-CTYIDZIISA-N 2 0 340.468 -0.155 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001336587575 842503388 /nfs/dbraw/zinc/50/33/88/842503388.db2.gz KHLLHAJSNXPNEX-RRFJBIMHSA-N 2 0 340.468 -0.473 20 0 EBADRP Cc1ccoc1C(=O)NCCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001336784412 842541355 /nfs/dbraw/zinc/54/13/55/842541355.db2.gz GGFSJBHXRJCYFA-OAHLLOKOSA-N 2 0 338.452 -0.094 20 0 EBADRP Cc1ccoc1C(=O)NCCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001336784392 842541946 /nfs/dbraw/zinc/54/19/46/842541946.db2.gz GGFSJBHXRJCYFA-HNNXBMFYSA-N 2 0 338.452 -0.094 20 0 EBADRP CCN(C(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)[C@H]1CC[NH2+]C1 ZINC001337339624 842603568 /nfs/dbraw/zinc/60/35/68/842603568.db2.gz SMMVMGIYHUPQKJ-GJZGRUSLSA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC001338279103 842775979 /nfs/dbraw/zinc/77/59/79/842775979.db2.gz HISWWQCUMWXYGK-AWEZNQCLSA-N 2 0 339.484 -0.674 20 0 EBADRP O=C(C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@H]21)NCCC[NH+]1CCCC1 ZINC001340148985 842976024 /nfs/dbraw/zinc/97/60/24/842976024.db2.gz AMLDACANKLTPFD-RDBSUJKOSA-N 2 0 329.466 -0.389 20 0 EBADRP CC[NH+](CC)CCCNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12 ZINC001341516737 843094958 /nfs/dbraw/zinc/09/49/58/843094958.db2.gz TZGXHABSRRUCQV-MGPQQGTHSA-N 2 0 331.482 -0.143 20 0 EBADRP CN(CCCCO)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001342137414 843143420 /nfs/dbraw/zinc/14/34/20/843143420.db2.gz YAFWMDAXTMINHU-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@@H](CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001342171992 843146530 /nfs/dbraw/zinc/14/65/30/843146530.db2.gz HKKAIJHZVPOCQF-XQLPTFJDSA-N 2 0 340.468 -0.202 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001342572667 843170001 /nfs/dbraw/zinc/17/00/01/843170001.db2.gz FHRMKLPLPLLOSX-INIZCTEOSA-N 2 0 327.473 -0.620 20 0 EBADRP [NH3+][C@H]1CCc2cc(C(=O)N3CCNCC[NH2+]CC3)ccc2NC1=O ZINC001342623277 843171931 /nfs/dbraw/zinc/17/19/31/843171931.db2.gz RJXCDCJZOJNFJJ-AWEZNQCLSA-N 2 0 331.420 -0.466 20 0 EBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)CNCC[NH3+])CC1 ZINC001343444435 843236868 /nfs/dbraw/zinc/23/68/68/843236868.db2.gz HUFFFWSLELUOQM-UHFFFAOYSA-N 2 0 327.473 -0.722 20 0 EBADRP O=C(NCC[NH2+]CCNC(=O)[C@H]1CCCC[NH2+]1)[C@H]1CCCC[NH2+]1 ZINC001345798058 843449897 /nfs/dbraw/zinc/44/98/97/843449897.db2.gz ILHXKTQQBYGJLU-ZIAGYGMSSA-N 3 0 325.457 -0.907 20 0 EBADRP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC001345958977 843465307 /nfs/dbraw/zinc/46/53/07/843465307.db2.gz RGDWGTDPSYMQNO-HDJSIYSDSA-N 2 0 338.452 -0.399 20 0 EBADRP O=C(NCCNc1cc[nH+]cc1)NCCN1CCC2(C1)OCCO2 ZINC001346170223 843483401 /nfs/dbraw/zinc/48/34/01/843483401.db2.gz ROZWCIGPKWTHGC-UHFFFAOYSA-N 2 0 335.408 -0.337 20 0 EBADRP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NCCC[NH+]3CCC[C@H]3C(N)=O)[C@H]2C1 ZINC001346533318 843527482 /nfs/dbraw/zinc/52/74/82/843527482.db2.gz XGGCDOFJOQTUEO-XQLPTFJDSA-N 2 0 337.468 -0.034 20 0 EBADRP CC[C@@H](C(=O)NCCNC(=O)[C@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC001349030124 843794152 /nfs/dbraw/zinc/79/41/52/843794152.db2.gz BCTDVFLFIZQIEF-KGLIPLIRSA-N 2 0 328.457 -0.473 20 0 EBADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C3CC3)C1)C2 ZINC001350012767 843957059 /nfs/dbraw/zinc/95/70/59/843957059.db2.gz ACJFDRIWAZHUJK-SNVBAGLBSA-N 2 0 349.460 -0.161 20 0 EBADRP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574711742 949551618 /nfs/dbraw/zinc/55/16/18/949551618.db2.gz LBLSSQXVTFDMLE-NWDGAFQWSA-N 2 0 344.423 -0.106 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+](CCN2C(=O)CNC2=O)C1 ZINC001691166258 1125840089 /nfs/dbraw/zinc/84/00/89/1125840089.db2.gz PPGLWYCSVFFRMC-CYBMUJFWSA-N 2 0 339.440 -0.682 20 0 EBADRP CN(CC[NH2+]CCN(C)S(C)(=O)=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001481266012 1125957577 /nfs/dbraw/zinc/95/75/77/1125957577.db2.gz XIWRFOTXDFQIAR-UHFFFAOYSA-N 2 0 348.513 -0.200 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)CC[NH+](C)C)C[C@@H](C)O1 ZINC001481276480 1125962344 /nfs/dbraw/zinc/96/23/44/1125962344.db2.gz BYQJZCNGGDYRAF-ZIAGYGMSSA-N 2 0 328.457 -0.378 20 0 EBADRP C[NH+]1CCC(OCC(=O)N[C@H]2CCC[N@H+](CCOCCO)C2)CC1 ZINC001481538414 1126010416 /nfs/dbraw/zinc/01/04/16/1126010416.db2.gz WFNFZVRTUFMTNU-HNNXBMFYSA-N 2 0 343.468 -0.313 20 0 EBADRP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001481813838 1126058233 /nfs/dbraw/zinc/05/82/33/1126058233.db2.gz NUFPSBQMJDVKRH-FRRDWIJNSA-N 2 0 338.456 -0.177 20 0 EBADRP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001481847841 1126061385 /nfs/dbraw/zinc/06/13/85/1126061385.db2.gz JBACZPUELXOTTM-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001482060390 1126074640 /nfs/dbraw/zinc/07/46/40/1126074640.db2.gz DVYRNWDPXSUBPI-YNEHKIRRSA-N 2 0 339.440 -0.495 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001482066858 1126075490 /nfs/dbraw/zinc/07/54/90/1126075490.db2.gz SWOXSHTWMZZCIX-CYBMUJFWSA-N 2 0 337.424 -0.785 20 0 EBADRP Cc1nnc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)C[NH+]2CCOCC2)[nH]1 ZINC001482167172 1126089504 /nfs/dbraw/zinc/08/95/04/1126089504.db2.gz CGSNNUCKFCVVEU-OLZOCXBDSA-N 2 0 338.456 -0.077 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001482325891 1126131968 /nfs/dbraw/zinc/13/19/68/1126131968.db2.gz NNNKYCWTVGLWQT-NSHDSACASA-N 2 0 327.429 -0.780 20 0 EBADRP C[C@@H](C[NH2+]Cc1cnnn1C)N(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001482341099 1126134543 /nfs/dbraw/zinc/13/45/43/1126134543.db2.gz VDPDHHIITWPGPF-ZDUSSCGKSA-N 2 0 348.455 -0.177 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482316184 1126129647 /nfs/dbraw/zinc/12/96/47/1126129647.db2.gz FRMGQBGMMVYPJZ-LLVKDONJSA-N 2 0 327.429 -0.508 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001482365915 1126139251 /nfs/dbraw/zinc/13/92/51/1126139251.db2.gz MYNAFNKJJHECEQ-HUUCEWRRSA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)NC[C@@H]1CCCO1)N(C)C(=O)C[NH+]1CCCC1 ZINC001482365987 1126139342 /nfs/dbraw/zinc/13/93/42/1126139342.db2.gz ZTAXNTRZOKOFGM-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001482427594 1126148510 /nfs/dbraw/zinc/14/85/10/1126148510.db2.gz BZOZJPHOTJFRMS-OLZOCXBDSA-N 2 0 341.456 -0.390 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001482461464 1126158567 /nfs/dbraw/zinc/15/85/67/1126158567.db2.gz OVOAZNQTYIQPKJ-ZDUSSCGKSA-N 2 0 341.456 -0.118 20 0 EBADRP CC[C@H](C(=O)NC1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1)[NH+](C)C ZINC001409082784 1126187617 /nfs/dbraw/zinc/18/76/17/1126187617.db2.gz IUCOILKMBOCNRM-DZGCQCFKSA-N 2 0 340.468 -0.378 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001648970726 1126184836 /nfs/dbraw/zinc/18/48/36/1126184836.db2.gz VUPKPLJOGQNWDY-IPYPFGDCSA-N 2 0 326.441 -0.545 20 0 EBADRP CNC(=O)C[NH2+][C@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)C(C)C ZINC001482537786 1126194086 /nfs/dbraw/zinc/19/40/86/1126194086.db2.gz OEEJJAXZIHJIOB-CQSZACIVSA-N 2 0 342.484 -0.179 20 0 EBADRP C[NH+]1CCC(C(=O)NCC2([NH2+]CCNS(C)(=O)=O)CC2)CC1 ZINC001670850702 1126246294 /nfs/dbraw/zinc/24/62/94/1126246294.db2.gz RPSMSMHATJCNKU-UHFFFAOYSA-N 2 0 332.470 -0.884 20 0 EBADRP COc1nccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001482731328 1126262280 /nfs/dbraw/zinc/26/22/80/1126262280.db2.gz SILCTEZJFLLKJX-KWCYVHTRSA-N 2 0 337.424 -0.608 20 0 EBADRP CC(C)(C(=O)NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O)[NH+]1CCCCC1 ZINC001482727860 1126268186 /nfs/dbraw/zinc/26/81/86/1126268186.db2.gz CZRRTYHVPLFQCU-KBPBESRZSA-N 2 0 340.468 -0.404 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCCCC2)CCC1 ZINC001482737800 1126272186 /nfs/dbraw/zinc/27/21/86/1126272186.db2.gz UHSUPFONPJQEMV-AWEZNQCLSA-N 2 0 340.468 -0.450 20 0 EBADRP Cc1c(C(=O)NC[C@H](O)C[NH2+][C@H]2CCN(C)C2=O)ccc2c[nH+]cn21 ZINC001482745737 1126276123 /nfs/dbraw/zinc/27/61/23/1126276123.db2.gz WBGPDCSNPUUXKT-HIFRSBDPSA-N 2 0 345.403 -0.446 20 0 EBADRP CCN(CC)C(=O)C[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001482746312 1126276213 /nfs/dbraw/zinc/27/62/13/1126276213.db2.gz CXFAHILQYKEVMQ-AWEZNQCLSA-N 2 0 340.468 -0.450 20 0 EBADRP CN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001482774142 1126284677 /nfs/dbraw/zinc/28/46/77/1126284677.db2.gz HLPLGXQCJVTSBK-UONOGXRCSA-N 2 0 326.441 -0.984 20 0 EBADRP O=C(NC[C@H](O)C[NH2+]CCOCC(F)(F)F)C12CC[NH+](CC1)C2 ZINC001482785060 1126290229 /nfs/dbraw/zinc/29/02/29/1126290229.db2.gz FSYAQFPKUJNOER-LLVKDONJSA-N 2 0 339.358 -0.272 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001482785432 1126290350 /nfs/dbraw/zinc/29/03/50/1126290350.db2.gz IYCLMIXBUNOCSI-STQMWFEESA-N 2 0 328.457 -0.690 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001482785428 1126290431 /nfs/dbraw/zinc/29/04/31/1126290431.db2.gz IYCLMIXBUNOCSI-OLZOCXBDSA-N 2 0 328.457 -0.690 20 0 EBADRP CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]CC(=O)N1CCOCC1)[NH+](C)C ZINC001482868531 1126299149 /nfs/dbraw/zinc/29/91/49/1126299149.db2.gz VIQKATLZTBOAAU-GDBMZVCRSA-N 2 0 342.484 -0.084 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC(=O)NC(N)=O ZINC001482847528 1126297773 /nfs/dbraw/zinc/29/77/73/1126297773.db2.gz FDMPDJKPGRNWDE-CHWSQXEVSA-N 2 0 341.456 -0.214 20 0 EBADRP CCN(CC[NH2+]CC(=O)NC(N)=O)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001482934768 1126304142 /nfs/dbraw/zinc/30/41/42/1126304142.db2.gz NEHZKSFBFJEZEJ-ZDUSSCGKSA-N 2 0 341.456 -0.260 20 0 EBADRP CCN(CC[NH2+][C@H](C)C(=O)N(C)C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001482968766 1126307433 /nfs/dbraw/zinc/30/74/33/1126307433.db2.gz WXJCLNHOLYJTSN-LSDHHAIUSA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NC/C=C\C[NH2+][C@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001483049936 1126322836 /nfs/dbraw/zinc/32/28/36/1126322836.db2.gz CHYMYSYAVPFKMW-JJVDHKILSA-N 2 0 336.436 -0.216 20 0 EBADRP CNC(=O)[C@H](C)[N@H+](C)CCOCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001691593973 1126323486 /nfs/dbraw/zinc/32/34/86/1126323486.db2.gz UQQFRAJKFFHIEW-UONOGXRCSA-N 2 0 328.457 -0.378 20 0 EBADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCN1CCNC1=O ZINC001483126930 1126336308 /nfs/dbraw/zinc/33/63/08/1126336308.db2.gz AOURYRREIZNQTM-ZIAGYGMSSA-N 2 0 325.457 -0.021 20 0 EBADRP C[C@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483156668 1126347979 /nfs/dbraw/zinc/34/79/79/1126347979.db2.gz RKAZZUJJXYRNGJ-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001483197414 1126352555 /nfs/dbraw/zinc/35/25/55/1126352555.db2.gz IUJCRTFKSFAIOW-VXGBXAGGSA-N 2 0 329.445 -0.345 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001483236762 1126385020 /nfs/dbraw/zinc/38/50/20/1126385020.db2.gz SLWIZSAHLTWXQD-NWDGAFQWSA-N 2 0 327.429 -0.589 20 0 EBADRP C[C@H](CNC(=O)CCC[NH+](C)C)N(C)CC(=O)N1CCOCC1 ZINC001409643169 1126387286 /nfs/dbraw/zinc/38/72/86/1126387286.db2.gz YVYDMTSULIRBAV-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP O=C(N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)C12CC[NH+](CC1)C2 ZINC001649008844 1126402830 /nfs/dbraw/zinc/40/28/30/1126402830.db2.gz YVMYIFUTHFCHNY-GJZGRUSLSA-N 2 0 347.463 -0.171 20 0 EBADRP C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001483239993 1126408961 /nfs/dbraw/zinc/40/89/61/1126408961.db2.gz LJVWDWNVROTFBG-STQMWFEESA-N 2 0 326.441 -0.672 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001483255680 1126410890 /nfs/dbraw/zinc/41/08/90/1126410890.db2.gz LBFSPUKVMLSNLK-RWMBFGLXSA-N 2 0 341.456 -0.202 20 0 EBADRP C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483254890 1126410955 /nfs/dbraw/zinc/41/09/55/1126410955.db2.gz KGZIRYVDNKQJHT-QWRGUYRKSA-N 2 0 327.429 -0.462 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)n(C)n1 ZINC001483294425 1126414521 /nfs/dbraw/zinc/41/45/21/1126414521.db2.gz ZFGHEQUTYWLSNT-QWHCGFSZSA-N 2 0 336.440 -0.287 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001483296499 1126415097 /nfs/dbraw/zinc/41/50/97/1126415097.db2.gz IUJCRTFKSFAIOW-NWDGAFQWSA-N 2 0 329.445 -0.345 20 0 EBADRP C[NH+](C)C1(C(=O)N[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C2CC2)CCC1 ZINC001483566792 1126435435 /nfs/dbraw/zinc/43/54/35/1126435435.db2.gz UGIJNIBVJDNSJQ-CHWSQXEVSA-N 2 0 336.436 -0.240 20 0 EBADRP C[C@H]([NH2+]C[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C1CC1)C(N)=O ZINC001483570089 1126436024 /nfs/dbraw/zinc/43/60/24/1126436024.db2.gz GWQDWJVGKCXEGF-JSGCOSHPSA-N 2 0 340.468 -0.297 20 0 EBADRP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CC(=O)NC(=O)NC ZINC001483620481 1126440856 /nfs/dbraw/zinc/44/08/56/1126440856.db2.gz JRXHOEBHIITXLQ-STQMWFEESA-N 2 0 341.456 -0.390 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001483742021 1126467496 /nfs/dbraw/zinc/46/74/96/1126467496.db2.gz DWHKCNPENLYIDU-OLZOCXBDSA-N 2 0 336.436 -0.096 20 0 EBADRP O=C(N(CCO)CC[NH2+]C[C@H]1CCCOC1)C12CC[NH+](CC1)C2 ZINC001672702141 1126473698 /nfs/dbraw/zinc/47/36/98/1126473698.db2.gz SOHUPZFWZOPLAC-OAHLLOKOSA-N 2 0 325.453 -0.081 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCCN2C(=O)C2(C[NH+](C)C)CC2)nc1=O ZINC001483943580 1126491876 /nfs/dbraw/zinc/49/18/76/1126491876.db2.gz ZJUKXGAGANZARB-LBPRGKRZSA-N 2 0 336.440 -0.469 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)C[C@@H]1C ZINC001483915545 1126489134 /nfs/dbraw/zinc/48/91/34/1126489134.db2.gz HHNNUXMRPKZZHO-KBPBESRZSA-N 2 0 348.513 -0.154 20 0 EBADRP C[C@@H](NC(=O)CCn1ccnc1)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001409912924 1126497193 /nfs/dbraw/zinc/49/71/93/1126497193.db2.gz LDJOMGHUPWSNSB-ZBFHGGJFSA-N 2 0 346.435 -0.033 20 0 EBADRP C[C@@]1(C[NH2+]CCS(C)(=O)=O)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001484121659 1126507707 /nfs/dbraw/zinc/50/77/07/1126507707.db2.gz GSHGASBFRIDKDA-HNNXBMFYSA-N 2 0 343.493 -0.045 20 0 EBADRP CNC(=O)CN1CC[C@](O)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001484230037 1126532345 /nfs/dbraw/zinc/53/23/45/1126532345.db2.gz OWBMNJXBVQIDQE-INIZCTEOSA-N 2 0 326.441 -0.840 20 0 EBADRP CCn1cc(CC[N@@H+]2CC[C@@](O)(CNC(=O)[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001484252283 1126544594 /nfs/dbraw/zinc/54/45/94/1126544594.db2.gz UIPJZZBVEHBNQM-SJLPKXTDSA-N 2 0 349.479 -0.050 20 0 EBADRP CN(C)C(=O)C[NH2+]C1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001484418538 1126571915 /nfs/dbraw/zinc/57/19/15/1126571915.db2.gz OIGNJLIEPCGFJB-OAHLLOKOSA-N 2 0 339.484 -0.661 20 0 EBADRP CN(C)C(=O)C[NH2+]CCN(CCO)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001484482426 1126592274 /nfs/dbraw/zinc/59/22/74/1126592274.db2.gz NOANCFNYMUWPHP-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[C@H]([NH2+]CCN(CCO)C(=O)C1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001484493311 1126592715 /nfs/dbraw/zinc/59/27/15/1126592715.db2.gz XHJMIMNBIUHCQZ-ZDUSSCGKSA-N 2 0 340.468 -0.594 20 0 EBADRP O=C(N(CCO)CC[NH2+][C@H]1CCCNC1=O)C12CCC[NH+]1CCC2 ZINC001484486123 1126595842 /nfs/dbraw/zinc/59/58/42/1126595842.db2.gz HIATXNOYKSVXOI-AWEZNQCLSA-N 2 0 338.452 -0.696 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N(CCO)CC[NH2+]CCn2cncn2)CC[N@@H+]1C ZINC001484493707 1126596801 /nfs/dbraw/zinc/59/68/01/1126596801.db2.gz VDKCGKONFUJUDQ-GJZGRUSLSA-N 2 0 338.456 -0.581 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)N(CCO)CC[NH2+]CC(=O)N(C)C)CC1 ZINC001484495938 1126597478 /nfs/dbraw/zinc/59/74/78/1126597478.db2.gz BLLGJBQGFCFRPQ-UHFFFAOYSA-N 2 0 342.484 -0.395 20 0 EBADRP O=C(C[NH+]1CCCC1)N(CCO)CC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001484501430 1126599511 /nfs/dbraw/zinc/59/95/11/1126599511.db2.gz VQHKOQBACYCSGH-OAHLLOKOSA-N 2 0 340.468 -0.591 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001358627264 1131236939 /nfs/dbraw/zinc/23/69/39/1131236939.db2.gz FMZNKCYSYDZSLF-ZIAGYGMSSA-N 2 0 326.441 -0.624 20 0 EBADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1 ZINC001484676928 1126618290 /nfs/dbraw/zinc/61/82/90/1126618290.db2.gz GOGYCVGUMBSXMM-CABCVRRESA-N 2 0 338.452 -0.719 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH2+]CCOCCO)C2)CC[N@@H+]1C ZINC001484677444 1126618613 /nfs/dbraw/zinc/61/86/13/1126618613.db2.gz MCKFUDLJKNVAPN-QLFBSQMISA-N 2 0 329.441 -0.848 20 0 EBADRP CN(C(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1)C1CC1 ZINC001484686671 1126621679 /nfs/dbraw/zinc/62/16/79/1126621679.db2.gz ARDJZUMUZYZYDO-CQSZACIVSA-N 2 0 326.441 -0.624 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@H](C[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001484695395 1126624420 /nfs/dbraw/zinc/62/44/20/1126624420.db2.gz CWRZRAARZOZMPR-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001484697859 1126625000 /nfs/dbraw/zinc/62/50/00/1126625000.db2.gz YJSLSBMZHJMQOY-UONOGXRCSA-N 2 0 328.457 -0.378 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC001484728122 1126627194 /nfs/dbraw/zinc/62/71/94/1126627194.db2.gz YAMUQRDFQPHBPO-STQMWFEESA-N 2 0 341.456 -0.118 20 0 EBADRP CN(CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1)S(C)(=O)=O ZINC001484721607 1126627572 /nfs/dbraw/zinc/62/75/72/1126627572.db2.gz ANKYCLVXNWOZET-AWEZNQCLSA-N 2 0 348.513 -0.200 20 0 EBADRP CC[N@H+](C)CCC(=O)N(C)CCC[NH+](C)[C@@H]1CCC(=O)NC1=O ZINC001484764762 1126629400 /nfs/dbraw/zinc/62/94/00/1126629400.db2.gz MZUJIEMUMGFJNE-CYBMUJFWSA-N 2 0 326.441 -0.086 20 0 EBADRP CCN(C)C(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001484847548 1126641589 /nfs/dbraw/zinc/64/15/89/1126641589.db2.gz QGTPUEBSDWSBRW-INIZCTEOSA-N 2 0 328.457 -0.641 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@](CO)([NH2+]CC(N)=O)C2)C1 ZINC001484847425 1126641475 /nfs/dbraw/zinc/64/14/75/1126641475.db2.gz GRHODMKFZIAMMT-YOEHRIQHSA-N 2 0 340.468 -0.463 20 0 EBADRP Cn1cc(C[NH2+][C@]2(CO)CCCN(C(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001484857440 1126645627 /nfs/dbraw/zinc/64/56/27/1126645627.db2.gz XZSXOIPLUQQDRW-GOSISDBHSA-N 2 0 347.463 -0.041 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001484908838 1126652633 /nfs/dbraw/zinc/65/26/33/1126652633.db2.gz BLNYRHNDOAYOHT-LSDHHAIUSA-N 2 0 340.468 -0.378 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCC(O)(C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001484963147 1126656858 /nfs/dbraw/zinc/65/68/58/1126656858.db2.gz MSNPIWJHONKCDC-ZDUSSCGKSA-N 2 0 328.457 -0.465 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCN2CCOCC2)C[C@H]1C ZINC001484982117 1126660689 /nfs/dbraw/zinc/66/06/89/1126660689.db2.gz QHEALENZIRKEHH-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC2CC(C[NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001485107577 1126675337 /nfs/dbraw/zinc/67/53/37/1126675337.db2.gz XNRYFBMSMBYZSH-HSBZDZAISA-N 2 0 346.497 -0.638 20 0 EBADRP CN(CC(C)(C)C[NH2+]CC(=O)NC(N)=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001485264748 1126684134 /nfs/dbraw/zinc/68/41/34/1126684134.db2.gz ZQKFOUKSKANDAO-GFCCVEGCSA-N 2 0 341.456 -0.403 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC2(CO[C@@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001485673926 1126796081 /nfs/dbraw/zinc/79/60/81/1126796081.db2.gz TYNXPKXIIKDDPG-CQSZACIVSA-N 2 0 340.468 -0.199 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2C[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)nc1=O ZINC001485685949 1126799733 /nfs/dbraw/zinc/79/97/33/1126799733.db2.gz BSUYBWSKKKPSAN-HAQNSBGRSA-N 2 0 336.440 -0.423 20 0 EBADRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H](C[NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001485698240 1126808709 /nfs/dbraw/zinc/80/87/09/1126808709.db2.gz ICPKDTPVVRGVMP-JOCQHMNTSA-N 2 0 339.440 -0.602 20 0 EBADRP O=C(C[NH+]1CCCC1)NCC1([NH2+]CCCN2C(=O)CNC2=O)CC1 ZINC001670899908 1126864090 /nfs/dbraw/zinc/86/40/90/1126864090.db2.gz GXVFRYCXUHRZPS-UHFFFAOYSA-N 2 0 337.424 -0.738 20 0 EBADRP C[N@@H+]1CC[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CS(=O)(=O)C4)CC[C@@H]21 ZINC001649048067 1126864658 /nfs/dbraw/zinc/86/46/58/1126864658.db2.gz LOKQMAOHJKJJDG-ABHRYQDASA-N 2 0 327.450 -0.827 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@H]1C(F)(F)F ZINC001649051502 1126865087 /nfs/dbraw/zinc/86/50/87/1126865087.db2.gz WQLIFMNHPJHAEQ-IQJOONFLSA-N 2 0 334.342 -0.598 20 0 EBADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CC[NH2+]C[C@H]1CO ZINC001649052789 1126865635 /nfs/dbraw/zinc/86/56/35/1126865635.db2.gz GUJHHFNBUGTBAA-HNNXBMFYSA-N 2 0 333.436 -0.614 20 0 EBADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001649052960 1126865783 /nfs/dbraw/zinc/86/57/83/1126865783.db2.gz MBFMQVCUECMFPM-VVLHAWIVSA-N 2 0 336.480 -0.245 20 0 EBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001649041075 1126862431 /nfs/dbraw/zinc/86/24/31/1126862431.db2.gz LXSFMXFLDANKEN-ZIAGYGMSSA-N 2 0 327.425 -0.116 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001280470885 1126889221 /nfs/dbraw/zinc/88/92/21/1126889221.db2.gz GYEWDWGCJYONEW-CYBMUJFWSA-N 2 0 346.497 -0.352 20 0 EBADRP CN(C(=O)C[NH+]1CCCC1)[C@H](C[NH2+][C@H]1CCC(=O)NC1=O)C1CC1 ZINC001485835498 1126890425 /nfs/dbraw/zinc/89/04/25/1126890425.db2.gz YXMNUOSZJIHZBJ-UONOGXRCSA-N 2 0 336.436 -0.286 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC(C)(C)C)CC[N@@H+]1C ZINC001485995499 1126957806 /nfs/dbraw/zinc/95/78/06/1126957806.db2.gz ILLJHRLKMKQODT-HZSPNIEDSA-N 2 0 342.484 -0.444 20 0 EBADRP CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)c1sccc1C[NH+](C)C ZINC001486003869 1126977690 /nfs/dbraw/zinc/97/76/90/1126977690.db2.gz ZWSXGOKJBKUOEU-GFCCVEGCSA-N 2 0 342.465 -0.422 20 0 EBADRP CC1CC[NH+](CC(=O)NC[C@@H](CO)[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001486046955 1126994812 /nfs/dbraw/zinc/99/48/12/1126994812.db2.gz BYWXILFXWVCDMP-UONOGXRCSA-N 2 0 326.441 -0.936 20 0 EBADRP CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)C[N@H+](C)CC(C)(C)C)C1=O ZINC001486033064 1127003514 /nfs/dbraw/zinc/00/35/14/1127003514.db2.gz FROPLCCMAGWPGH-KBPBESRZSA-N 2 0 342.484 -0.348 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CCNC(=O)NC(C)(C)C)C1 ZINC001486062614 1127012641 /nfs/dbraw/zinc/01/26/41/1127012641.db2.gz XMUFIXOSKNEENK-QWHCGFSZSA-N 2 0 343.472 -0.898 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCNC(=O)NC(C)(C)C)C1 ZINC001486062612 1127012988 /nfs/dbraw/zinc/01/29/88/1127012988.db2.gz XMUFIXOSKNEENK-OLZOCXBDSA-N 2 0 343.472 -0.898 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001486125801 1127035441 /nfs/dbraw/zinc/03/54/41/1127035441.db2.gz BSJUUDKQROWJAG-OLZOCXBDSA-N 2 0 341.456 -0.247 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)C(C)(C)C1 ZINC001486228323 1127061222 /nfs/dbraw/zinc/06/12/22/1127061222.db2.gz LPMFZCDKBXJRGE-WDEREUQCSA-N 2 0 325.413 -0.898 20 0 EBADRP C[C@H]([NH2+]C1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1)C(=O)NC(N)=O ZINC001486480444 1127184365 /nfs/dbraw/zinc/18/43/65/1127184365.db2.gz HXRNJZZZAOYHAJ-UNXYVOJBSA-N 2 0 337.424 -0.755 20 0 EBADRP CN(C[C@H]1CCCN1C(=O)CC[NH+](C)C)C(=O)[C@H]1CN(C)CCO1 ZINC001486569941 1127208176 /nfs/dbraw/zinc/20/81/76/1127208176.db2.gz KJZAHNXMDIRQGQ-HUUCEWRRSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)CCC(=O)N1CC(CCO)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001487040488 1127383810 /nfs/dbraw/zinc/38/38/10/1127383810.db2.gz DZIKDHCYSYKIHS-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H](O)CNC(=O)C[NH+]2CCCC2)C1 ZINC001410106044 1127569018 /nfs/dbraw/zinc/56/90/18/1127569018.db2.gz DTXOPZSJKNJTNZ-UONOGXRCSA-N 2 0 326.441 -0.983 20 0 EBADRP C[C@H]([NH2+]CC(N)=O)[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC001410144172 1127607392 /nfs/dbraw/zinc/60/73/92/1127607392.db2.gz KBXZIDGYIUGLSK-KBPBESRZSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@@H]([NH2+]CC(=O)N1CCC1)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001410164689 1127623163 /nfs/dbraw/zinc/62/31/63/1127623163.db2.gz PFWWILPQXVBVKO-ZIAGYGMSSA-N 2 0 326.441 -0.624 20 0 EBADRP CC(C)NC(=O)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001410150315 1127628385 /nfs/dbraw/zinc/62/83/85/1127628385.db2.gz FIDBETUQVLFXDQ-KBPBESRZSA-N 2 0 328.457 -0.332 20 0 EBADRP CC(C)(C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC(N)=O)C1)[NH+]1CCCC1 ZINC001410212162 1127642960 /nfs/dbraw/zinc/64/29/60/1127642960.db2.gz QJCXLNKKCWHNFW-HAQNSBGRSA-N 2 0 339.440 -0.460 20 0 EBADRP CC(C)[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1nnnn1C ZINC001410268793 1127664465 /nfs/dbraw/zinc/66/44/65/1127664465.db2.gz NDNJJAJDSAHCHU-CYBMUJFWSA-N 2 0 335.456 -0.074 20 0 EBADRP C[C@H](CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1)[NH2+]CC(=O)N(C)C ZINC001410519718 1127733611 /nfs/dbraw/zinc/73/36/11/1127733611.db2.gz ZOARVKJPMKSKDW-ZIAGYGMSSA-N 2 0 328.457 -0.521 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)C[C@H](C)[NH2+]CC(=O)N(C)C ZINC001410519664 1127733699 /nfs/dbraw/zinc/73/36/99/1127733699.db2.gz ZOARVKJPMKSKDW-KGLIPLIRSA-N 2 0 328.457 -0.521 20 0 EBADRP Cc1c(C(=O)NC[C@@H](CO)[NH2+][C@@H]2CCCNC2=O)ccc2c[nH+]cn21 ZINC001410662028 1127797638 /nfs/dbraw/zinc/79/76/38/1127797638.db2.gz FOJKSRRNNJTZTP-SWLSCSKDSA-N 2 0 345.403 -0.398 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]C[C@@H](O)CC(F)(F)F)CC1 ZINC001410741755 1127855159 /nfs/dbraw/zinc/85/51/59/1127855159.db2.gz ZNOHZNICOOUXTN-RYUDHWBXSA-N 2 0 341.374 -0.292 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC2CCCC2)C1 ZINC001410756807 1127865151 /nfs/dbraw/zinc/86/51/51/1127865151.db2.gz RGLYTIOZYJSDSU-ZFWWWQNUSA-N 2 0 340.468 -0.546 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC(=O)NC(=O)NC)C[C@H]1C ZINC001410854173 1127917438 /nfs/dbraw/zinc/91/74/38/1127917438.db2.gz BTDKSVBYEFQPPT-VXGBXAGGSA-N 2 0 327.429 -0.637 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NC(=O)NC)C[C@H]1C ZINC001410854166 1127917675 /nfs/dbraw/zinc/91/76/75/1127917675.db2.gz BTDKSVBYEFQPPT-NEPJUHHUSA-N 2 0 327.429 -0.637 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@H]1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001410950384 1127951043 /nfs/dbraw/zinc/95/10/43/1127951043.db2.gz YVAFFCAWNUPZCC-RYUDHWBXSA-N 2 0 327.429 -0.602 20 0 EBADRP C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1)C(=O)NC1CC1 ZINC001411051235 1127988173 /nfs/dbraw/zinc/98/81/73/1127988173.db2.gz ZZMAFRQKWWHIIN-TZMCWYRMSA-N 2 0 340.468 -0.453 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001411055209 1127990520 /nfs/dbraw/zinc/99/05/20/1127990520.db2.gz DKMJLYHUEMKRNO-UONOGXRCSA-N 2 0 328.457 -0.644 20 0 EBADRP CN(C[C@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)CC1CC[NH+](C)CC1 ZINC001411113139 1128020449 /nfs/dbraw/zinc/02/04/49/1128020449.db2.gz WRKLOVKWHQFXKQ-OAHLLOKOSA-N 2 0 340.468 -0.594 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CC(=O)N(C)C1CC1)C(=O)C12CC[NH+](CC1)C2 ZINC001411156834 1128050194 /nfs/dbraw/zinc/05/01/94/1128050194.db2.gz XPJBIHIXLISQNY-AWEZNQCLSA-N 2 0 338.452 -0.888 20 0 EBADRP CN(C[C@H](O)C[N@H+](C)CCn1cncn1)C(=O)C1([NH+](C)C)CCC1 ZINC001411165506 1128058889 /nfs/dbraw/zinc/05/88/89/1128058889.db2.gz DQKVPOVUDZGDFQ-CQSZACIVSA-N 2 0 338.456 -0.487 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001411170663 1128068611 /nfs/dbraw/zinc/06/86/11/1128068611.db2.gz JOHJDIYKBOSYEU-QGZVFWFLSA-N 2 0 340.468 -0.496 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001411170742 1128068679 /nfs/dbraw/zinc/06/86/79/1128068679.db2.gz QWLQLCYNCJLNJT-QGZVFWFLSA-N 2 0 340.468 -0.496 20 0 EBADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093194205 1128303386 /nfs/dbraw/zinc/30/33/86/1128303386.db2.gz XMNQHUBSQHEQKN-JHJVBQTASA-N 2 0 336.440 -0.756 20 0 EBADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093195191 1128303719 /nfs/dbraw/zinc/30/37/19/1128303719.db2.gz NCJKJZSMMCVXFR-RBSFLKMASA-N 2 0 337.468 -0.353 20 0 EBADRP CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)nn1 ZINC001093330624 1128321373 /nfs/dbraw/zinc/32/13/73/1128321373.db2.gz DIHURZWGUDHSTE-OAHLLOKOSA-N 2 0 336.440 -0.120 20 0 EBADRP COC[C@]1(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C[NH2+]CCO1 ZINC001649156711 1128339932 /nfs/dbraw/zinc/33/99/32/1128339932.db2.gz FKJZBTPUZUZVIU-FMKPAKJESA-N 2 0 327.425 -0.951 20 0 EBADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187841488 1128355758 /nfs/dbraw/zinc/35/57/58/1128355758.db2.gz BZUQIOZLMYILIL-CQSZACIVSA-N 2 0 325.457 -0.020 20 0 EBADRP CN(CCOCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)[C@H]1CCC[NH+]1C ZINC001487582927 1128374864 /nfs/dbraw/zinc/37/48/64/1128374864.db2.gz LDEMPARKSQTVGR-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)C[NH+]1CCCC1 ZINC001487994523 1128530652 /nfs/dbraw/zinc/53/06/52/1128530652.db2.gz FCCNUABWXYVBHQ-CABCVRRESA-N 2 0 340.468 -0.452 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](CO)CNC(=O)CC1CC[NH+](C)CC1 ZINC001487998109 1128534414 /nfs/dbraw/zinc/53/44/14/1128534414.db2.gz NRBNUADYBWGHHD-OAHLLOKOSA-N 2 0 342.484 -0.348 20 0 EBADRP CN(CC(O)CN(C)C(=O)C[NH+]1CCCC1)C(=O)C[NH+]1CCCC1 ZINC001488434413 1128771866 /nfs/dbraw/zinc/77/18/66/1128771866.db2.gz HMNGWNXJXMLQQX-UHFFFAOYSA-N 2 0 340.468 -0.544 20 0 EBADRP CN(CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1)S(C)(=O)=O ZINC001488816787 1128850002 /nfs/dbraw/zinc/85/00/02/1128850002.db2.gz OUZSNKMQAKOHNS-IHRRRGAJSA-N 2 0 346.497 -0.544 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]CCCO)cn1 ZINC001488981602 1128893963 /nfs/dbraw/zinc/89/39/63/1128893963.db2.gz LXXAOZGWOANXHH-ARFHVFGLSA-N 2 0 335.452 -0.219 20 0 EBADRP O=C(NCc1nc(C[NH2+]CCO)cc(=O)[nH]1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001489076152 1128905904 /nfs/dbraw/zinc/90/59/04/1128905904.db2.gz HHUZWONLVIGBOQ-KBPBESRZSA-N 2 0 349.435 -0.103 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2)C1 ZINC001489364815 1128966957 /nfs/dbraw/zinc/96/69/57/1128966957.db2.gz GPJQQHNGONTLAC-ZIAGYGMSSA-N 2 0 337.424 -0.697 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)C1 ZINC001489391978 1128975199 /nfs/dbraw/zinc/97/51/99/1128975199.db2.gz SCKOIXBKGPFWER-RBSFLKMASA-N 2 0 340.468 -0.642 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC(=O)NC(N)=O ZINC001490204569 1129125707 /nfs/dbraw/zinc/12/57/07/1129125707.db2.gz MHQFBXHQOCIZHM-LBPRGKRZSA-N 2 0 327.429 -0.506 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+](C)CCN2C(=O)CNC2=O)C1 ZINC001490250148 1129152312 /nfs/dbraw/zinc/15/23/12/1129152312.db2.gz CZUVJMKKLIVZHF-CYBMUJFWSA-N 2 0 339.440 -0.682 20 0 EBADRP CNC(=O)NC(=O)C[N@H+](C)CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001490282018 1129157276 /nfs/dbraw/zinc/15/72/76/1129157276.db2.gz PNAWEGSMMWNSRA-STQMWFEESA-N 2 0 341.456 -0.247 20 0 EBADRP C[NH+](C)CCC(=O)NCCN1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC001490500509 1129196052 /nfs/dbraw/zinc/19/60/52/1129196052.db2.gz GRNOQIBVEHUDBP-HNNXBMFYSA-N 2 0 349.483 -0.549 20 0 EBADRP Cn1cc(CC[NH+]2CCN(CCNC(=O)C[NH+]3CCCC3)CC2)cn1 ZINC001490514726 1129218170 /nfs/dbraw/zinc/21/81/70/1129218170.db2.gz KKCDKOMPMGRMTK-UHFFFAOYSA-N 2 0 348.495 -0.208 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCN1CC[NH+](C[C@H](C)O)CC1 ZINC001490517428 1129219899 /nfs/dbraw/zinc/21/98/99/1129219899.db2.gz XOAGLVCSWBNQSK-HOTGVXAUSA-N 2 0 326.485 -0.025 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC001490558838 1129225741 /nfs/dbraw/zinc/22/57/41/1129225741.db2.gz PWYSPWFMTSKXFY-GFCCVEGCSA-N 2 0 325.413 -0.930 20 0 EBADRP CC(=O)NCCOCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001490797895 1129260599 /nfs/dbraw/zinc/26/05/99/1129260599.db2.gz BIYTWYCJEWVCLV-IYBDPMFKSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H](CNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)C[NH+]1CCN(C)CC1 ZINC001411750399 1129366487 /nfs/dbraw/zinc/36/64/87/1129366487.db2.gz DJGBRQHYJGRSAB-BZUAXINKSA-N 2 0 326.485 -0.169 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001480550468 1131389652 /nfs/dbraw/zinc/38/96/52/1131389652.db2.gz ZHYJAKXHPTYHTC-OLZOCXBDSA-N 2 0 341.456 -0.201 20 0 EBADRP C[NH+]1CCC(CC(=O)NC[C@H](CO)NC(=O)C[NH+]2CCCC2)CC1 ZINC001412855449 1129735297 /nfs/dbraw/zinc/73/52/97/1129735297.db2.gz RYHFIDUIYZRDMQ-OAHLLOKOSA-N 2 0 340.468 -0.593 20 0 EBADRP CC[C@H](C(=O)NC[C@@H](CO)NC(=O)C(C)(C)[NH+]1CCCC1)[NH+](C)C ZINC001412923417 1129785733 /nfs/dbraw/zinc/78/57/33/1129785733.db2.gz KVILSJLDBJJVDR-UONOGXRCSA-N 2 0 342.484 -0.206 20 0 EBADRP C[C@H](C(=O)N[C@@H](CO)CNC(=O)CC[NH+](C)C)[NH+]1CCCCCC1 ZINC001412964255 1129820993 /nfs/dbraw/zinc/82/09/93/1129820993.db2.gz FBPOKCIQBFXQKZ-HUUCEWRRSA-N 2 0 342.484 -0.204 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001413265143 1129973631 /nfs/dbraw/zinc/97/36/31/1129973631.db2.gz ABTQHVADIOKUEL-AWEZNQCLSA-N 2 0 342.484 -0.254 20 0 EBADRP CN(C[C@H](O)CNC(=O)CCC[NH+](C)C)C(=O)C1CC[NH+](C)CC1 ZINC001413299807 1129998400 /nfs/dbraw/zinc/99/84/00/1129998400.db2.gz UTKOYDCNBRSUBM-OAHLLOKOSA-N 2 0 342.484 -0.395 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001493231759 1130141239 /nfs/dbraw/zinc/14/12/39/1130141239.db2.gz BMIJOPXAIWTPRN-RYUDHWBXSA-N 2 0 327.429 -0.780 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC001493232266 1130142132 /nfs/dbraw/zinc/14/21/32/1130142132.db2.gz DBROMQSOHZCBLV-ZDUSSCGKSA-N 2 0 339.440 -0.682 20 0 EBADRP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](O)Cn3cccn3)C2)CCC1 ZINC001490897459 1130229063 /nfs/dbraw/zinc/22/90/63/1130229063.db2.gz IUVCCSGCYKHZOA-KKUMJFAQSA-N 2 0 335.452 -0.035 20 0 EBADRP Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001490940964 1130269720 /nfs/dbraw/zinc/26/97/20/1130269720.db2.gz KFDMCCZURVVZMU-JOCQHMNTSA-N 2 0 336.440 -0.337 20 0 EBADRP C[N@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1)C1CCC1 ZINC001491025543 1130295194 /nfs/dbraw/zinc/29/51/94/1130295194.db2.gz KMQKWYWOWMTEEV-IJEWVQPXSA-N 2 0 335.452 -0.035 20 0 EBADRP C[N@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1)C1CCC1 ZINC001491025544 1130295365 /nfs/dbraw/zinc/29/53/65/1130295365.db2.gz KMQKWYWOWMTEEV-LZWOXQAQSA-N 2 0 335.452 -0.035 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1)C(=O)NC(N)=O ZINC001491080380 1130314415 /nfs/dbraw/zinc/31/44/15/1130314415.db2.gz MNGIXVXKNQQKNI-RWMBFGLXSA-N 2 0 339.440 -0.317 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1)C(=O)NC(N)=O ZINC001491080382 1130314651 /nfs/dbraw/zinc/31/46/51/1130314651.db2.gz MNGIXVXKNQQKNI-UPJWGTAASA-N 2 0 339.440 -0.317 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](O)CN3CCCC3=O)C2)C1 ZINC001491080789 1130315387 /nfs/dbraw/zinc/31/53/87/1130315387.db2.gz VYGJEMRDGKOBSM-XQLPTFJDSA-N 2 0 338.452 -0.842 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001491081139 1130315665 /nfs/dbraw/zinc/31/56/65/1130315665.db2.gz XLSGZVRWBDKXKJ-BETUJISGSA-N 2 0 334.486 -0.545 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](O)CN3CCCC3=O)C2)C1 ZINC001491080787 1130315692 /nfs/dbraw/zinc/31/56/92/1130315692.db2.gz VYGJEMRDGKOBSM-KBXIAJHMSA-N 2 0 338.452 -0.842 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H]1CCC[NH+](CC(=O)NC(N)=O)C1 ZINC001491296308 1130389141 /nfs/dbraw/zinc/38/91/41/1130389141.db2.gz NLADGWONXDARSP-OLZOCXBDSA-N 2 0 341.456 -0.260 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001491413736 1130434331 /nfs/dbraw/zinc/43/43/31/1130434331.db2.gz MQCKJLLLZCUTIJ-STQMWFEESA-N 2 0 341.456 -0.199 20 0 EBADRP CC[C@@H](C(=O)NCCNC(=O)COC1CC[NH+](C)CC1)[NH+](C)C ZINC001491475545 1130461478 /nfs/dbraw/zinc/46/14/78/1130461478.db2.gz LBKUXQKUCPIGQB-AWEZNQCLSA-N 2 0 328.457 -0.330 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001491493915 1130468912 /nfs/dbraw/zinc/46/89/12/1130468912.db2.gz AWMSZOVCZBFPEN-CHWSQXEVSA-N 2 0 328.457 -0.426 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001491548075 1130498561 /nfs/dbraw/zinc/49/85/61/1130498561.db2.gz NBIYUAYDWMEBRH-NWDGAFQWSA-N 2 0 341.456 -0.201 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(=O)NC)C1 ZINC001491557635 1130528200 /nfs/dbraw/zinc/52/82/00/1130528200.db2.gz HCIRTCYNVUKYGT-CHWSQXEVSA-N 2 0 341.456 -0.342 20 0 EBADRP CCOC(=O)[C@H]1C[N@H+](Cc2cnc3n2CCNC3)CCC12C[NH2+]C2 ZINC001237436594 1130532480 /nfs/dbraw/zinc/53/24/80/1130532480.db2.gz PQKMPWOJMWJOMW-CQSZACIVSA-N 2 0 333.436 -0.039 20 0 EBADRP C[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CCN1C(=O)CCC1=O ZINC001492257506 1130610163 /nfs/dbraw/zinc/61/01/63/1130610163.db2.gz PIRXULNOFAKBEG-AWEZNQCLSA-N 2 0 336.436 -0.475 20 0 EBADRP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001493255013 1130642210 /nfs/dbraw/zinc/64/22/10/1130642210.db2.gz MIOUUQNFIVFDAL-CYBMUJFWSA-N 2 0 341.456 -0.388 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001414063759 1130688066 /nfs/dbraw/zinc/68/80/66/1130688066.db2.gz SADFPMCEBHEHGI-KGLIPLIRSA-N 2 0 326.441 -0.888 20 0 EBADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCN(C)S(C)(=O)=O ZINC001480531140 1130826548 /nfs/dbraw/zinc/82/65/48/1130826548.db2.gz UZMWVWDVCAIPLY-LBPRGKRZSA-N 2 0 334.486 -0.686 20 0 EBADRP C[N@H+](CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)C[C@H]1O)C1CCC1 ZINC001413975640 1131162228 /nfs/dbraw/zinc/16/22/28/1131162228.db2.gz UNMUSSWBCUHZQQ-BPLDGKMQSA-N 2 0 338.452 -0.890 20 0 EBADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NC[C@H]2C[NH+](C)CCN2C)cn1 ZINC001361963688 1131489519 /nfs/dbraw/zinc/48/95/19/1131489519.db2.gz VBFQYHOUJWSXTP-ULQDDVLXSA-N 2 0 348.495 -0.183 20 0 EBADRP C[N@H+](CC(=O)NCC(=O)NCC[NH+]1CCCCC1)[C@@H]1CCC[C@H]1O ZINC001362662150 1131635927 /nfs/dbraw/zinc/63/59/27/1131635927.db2.gz RNQKSJWCSIIRCD-HUUCEWRRSA-N 2 0 340.468 -0.450 20 0 EBADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001362823799 1131686685 /nfs/dbraw/zinc/68/66/85/1131686685.db2.gz SYHIXYLDNLZANA-BFHYXJOUSA-N 2 0 326.441 -0.590 20 0 EBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC001364223635 1132243629 /nfs/dbraw/zinc/24/36/29/1132243629.db2.gz ZMIMQRCZQBBBLN-JKSUJKDBSA-N 2 0 341.500 -0.232 20 0 EBADRP CN1CCN(c2cc[nH+]c(NC(=O)CCCS(N)(=O)=O)c2)CC1 ZINC001364415194 1132308248 /nfs/dbraw/zinc/30/82/48/1132308248.db2.gz APZUILUALSUGID-UHFFFAOYSA-N 2 0 341.437 -0.159 20 0 EBADRP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]Cc1nnnn1C ZINC001364647607 1132383953 /nfs/dbraw/zinc/38/39/53/1132383953.db2.gz ZRSFSNDLTXKHEU-KGLIPLIRSA-N 2 0 335.456 -0.120 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1)C(=O)NC(N)=O ZINC001365835781 1132825636 /nfs/dbraw/zinc/82/56/36/1132825636.db2.gz VYBDQSCDGRTMDW-BJDJZHNGSA-N 2 0 325.413 -0.852 20 0 EBADRP CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1)C(N)=O ZINC001365847491 1132831207 /nfs/dbraw/zinc/83/12/07/1132831207.db2.gz HZFJCHLHVWBPKJ-ZQDZILKHSA-N 2 0 340.468 -0.297 20 0 EBADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]C[C@H](O)COC ZINC001365859011 1132836359 /nfs/dbraw/zinc/83/63/59/1132836359.db2.gz AAYGZTYZJNHAET-QKPAOTATSA-N 2 0 343.468 -0.459 20 0 EBADRP Cn1cc(CC[NH+]2CCN(CCNC(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001365966957 1132929893 /nfs/dbraw/zinc/92/98/93/1132929893.db2.gz XLGHHFHYHPUGCO-KRWDZBQOSA-N 2 0 348.495 -0.352 20 0 EBADRP O=C(N[C@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001366115875 1133013458 /nfs/dbraw/zinc/01/34/58/1133013458.db2.gz LPRBJKRLVIDNOF-QBPKDAKJSA-N 2 0 347.463 -0.177 20 0 EBADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1)[NH+](C)C ZINC001366119867 1133014731 /nfs/dbraw/zinc/01/47/31/1133014731.db2.gz SHUCWTWTICWKFI-ZQDZILKHSA-N 2 0 340.468 -0.453 20 0 EBADRP O=C(C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1)NCC(F)(F)F ZINC001366132611 1133021287 /nfs/dbraw/zinc/02/12/87/1133021287.db2.gz ZWQDDKZNOYJBFR-XYPYZODXSA-N 2 0 336.358 -0.003 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1)C(=O)NC(N)=O ZINC001366157579 1133031726 /nfs/dbraw/zinc/03/17/26/1133031726.db2.gz XMJXNSSHFWKUQS-MXWKQRLJSA-N 2 0 325.413 -0.852 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001366171697 1133037984 /nfs/dbraw/zinc/03/79/84/1133037984.db2.gz LGMDSPPXLDGOAX-FVCCEPFGSA-N 2 0 339.440 -0.319 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001366171705 1133038612 /nfs/dbraw/zinc/03/86/12/1133038612.db2.gz LGMDSPPXLDGOAX-WUHRBBMRSA-N 2 0 339.440 -0.319 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001366238039 1133070637 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KEOUKRXPWJALMB-FRRDWIJNSA-N 2 0 339.440 -0.650 20 0 EBADRP CCN1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001366404354 1133132541 /nfs/dbraw/zinc/13/25/41/1133132541.db2.gz BIHMOLIDWGVDAB-CABCVRRESA-N 2 0 338.452 -0.623 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001366460013 1133149143 /nfs/dbraw/zinc/14/91/43/1133149143.db2.gz KGMKLWMMIQPAHF-RYUDHWBXSA-N 2 0 327.429 -0.460 20 0 EBADRP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC1CCOCC1 ZINC001366510705 1133162428 /nfs/dbraw/zinc/16/24/28/1133162428.db2.gz QBFZAKMEQAKNQQ-KGLIPLIRSA-N 2 0 340.468 -0.282 20 0 EBADRP CS(=O)(=O)NCC[N@@H+]1CC[C@H](CCNC(=O)Cc2c[nH]cn2)C1 ZINC001366844765 1133315636 /nfs/dbraw/zinc/31/56/36/1133315636.db2.gz WQAZALHTIRFMNN-LBPRGKRZSA-N 2 0 343.453 -0.670 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001366852573 1133320362 /nfs/dbraw/zinc/32/03/62/1133320362.db2.gz MHVUUGHGDBZESV-CHWSQXEVSA-N 2 0 341.456 -0.260 20 0 EBADRP CS(=O)(=O)CC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001366856923 1133325055 /nfs/dbraw/zinc/32/50/55/1133325055.db2.gz ZCPYSALVKUKSER-CQSZACIVSA-N 2 0 331.482 -0.045 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC1CC[NH+](C)CC1 ZINC001367005129 1133418261 /nfs/dbraw/zinc/41/82/61/1133418261.db2.gz XWYBZULBPRCUIJ-SOUVJXGZSA-N 2 0 341.452 -0.610 20 0 EBADRP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)Nc1cnccn1 ZINC001367113888 1133479375 /nfs/dbraw/zinc/47/93/75/1133479375.db2.gz OVZDAKIDTFFYRQ-CHWSQXEVSA-N 2 0 334.424 -0.006 20 0 EBADRP CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCOCC1 ZINC001367133742 1133484412 /nfs/dbraw/zinc/48/44/12/1133484412.db2.gz FSFVQAOPCGQCCH-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@](C)(C[NH2+]CC(=O)NC(N)=O)C2CC2)C1 ZINC001367196495 1133499424 /nfs/dbraw/zinc/49/94/24/1133499424.db2.gz LLZGKXGUDKIHIM-MEDUHNTESA-N 2 0 339.440 -0.602 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001367270135 1133521990 /nfs/dbraw/zinc/52/19/90/1133521990.db2.gz IEQOKNMLGWUOJM-AGIUHOORSA-N 2 0 341.456 -0.486 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001367381821 1133572249 /nfs/dbraw/zinc/57/22/49/1133572249.db2.gz MLPIWOPXOOFASC-RYUDHWBXSA-N 2 0 327.429 -0.780 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC(=O)NC(N)=O)C1 ZINC001367553105 1133626220 /nfs/dbraw/zinc/62/62/20/1133626220.db2.gz GJQFYOIBUFWMDC-CHWSQXEVSA-N 2 0 339.440 -0.554 20 0 EBADRP CC[C@@H]([NH2+]C[C@H](O)CNC(=O)C(C)(C)[NH+]1CCCCC1)C(N)=O ZINC001367579204 1133647214 /nfs/dbraw/zinc/64/72/14/1133647214.db2.gz JHVZGGIQYUWOPH-QWHCGFSZSA-N 2 0 328.457 -0.419 20 0 EBADRP CCn1nncc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001367581929 1133650833 /nfs/dbraw/zinc/65/08/33/1133650833.db2.gz MYJGSEOTCUBTKY-GJZGRUSLSA-N 2 0 338.456 -0.263 20 0 EBADRP COc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[NH+]3CCC2CC3)on1 ZINC001367585427 1133654990 /nfs/dbraw/zinc/65/49/90/1133654990.db2.gz FYNPDSFZUOHYDJ-JSGCOSHPSA-N 2 0 338.408 -0.408 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001367617319 1133699586 /nfs/dbraw/zinc/69/95/86/1133699586.db2.gz VUTJHBIJYBDEPI-CQSZACIVSA-N 2 0 328.457 -0.690 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C ZINC001367626477 1133713867 /nfs/dbraw/zinc/71/38/67/1133713867.db2.gz GMHMNNUPTAGMKU-KBPBESRZSA-N 2 0 342.484 -0.158 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](O)C[NH2+]CC1CCOCC1 ZINC001367629565 1133717890 /nfs/dbraw/zinc/71/78/90/1133717890.db2.gz XPYLOWIRMQIOAD-GDBMZVCRSA-N 2 0 343.468 -0.552 20 0 EBADRP C[C@H](CC[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001367636337 1133725148 /nfs/dbraw/zinc/72/51/48/1133725148.db2.gz IQIIUJYBAUHALH-NEPJUHHUSA-N 2 0 339.440 -0.317 20 0 EBADRP C[C@H](C[NH2+]CC1CCS(=O)(=O)CC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001367664287 1133735988 /nfs/dbraw/zinc/73/59/88/1133735988.db2.gz XNWSKLLXUZZDHG-OCCSQVGLSA-N 2 0 331.482 0.000 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001367673652 1133740375 /nfs/dbraw/zinc/74/03/75/1133740375.db2.gz VZVUSBQZILCEOL-NEPJUHHUSA-N 2 0 327.429 -0.591 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001367724535 1133761196 /nfs/dbraw/zinc/76/11/96/1133761196.db2.gz CIQNSQNXRJLKPW-STQMWFEESA-N 2 0 341.456 -0.343 20 0 EBADRP C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001367764604 1133775912 /nfs/dbraw/zinc/77/59/12/1133775912.db2.gz VTTFBQQQMLOHDR-JSGCOSHPSA-N 2 0 336.440 -0.617 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](O)CN2CCCC2=O)CC1 ZINC001367993519 1133884286 /nfs/dbraw/zinc/88/42/86/1133884286.db2.gz UECGPRCYVXGDLB-KBPBESRZSA-N 2 0 338.452 -0.698 20 0 EBADRP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2)C(=O)NC(N)=O ZINC001368126987 1133950094 /nfs/dbraw/zinc/95/00/94/1133950094.db2.gz PDZQOTNKARBGIX-NEPJUHHUSA-N 2 0 337.424 -0.754 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001368163730 1133972678 /nfs/dbraw/zinc/97/26/78/1133972678.db2.gz AGEQVVOIKAREJL-XHDPSFHLSA-N 2 0 325.413 -0.896 20 0 EBADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001368178131 1133979733 /nfs/dbraw/zinc/97/97/33/1133979733.db2.gz NLRLDAZCVYYFRZ-YOEHRIQHSA-N 2 0 340.468 -0.058 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@]1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001368193440 1133986000 /nfs/dbraw/zinc/98/60/00/1133986000.db2.gz DPPRFRYQENFSGG-CJNGLKHVSA-N 2 0 335.456 -0.120 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NC(=O)NC)C1 ZINC001368199212 1133987475 /nfs/dbraw/zinc/98/74/75/1133987475.db2.gz ZINWGKFXPBPMSD-INIZCTEOSA-N 2 0 341.456 -0.388 20 0 EBADRP CN(C(=O)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCOCC1)C1CC1 ZINC001368230684 1134000256 /nfs/dbraw/zinc/00/02/56/1134000256.db2.gz FGYARMAMGDDCTG-UHFFFAOYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001368248588 1134023710 /nfs/dbraw/zinc/02/37/10/1134023710.db2.gz JHFXSZQTHYGSKV-CZUORRHYSA-N 2 0 340.468 -0.500 20 0 EBADRP Cn1nccc1CC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001368287820 1134104314 /nfs/dbraw/zinc/10/43/14/1134104314.db2.gz QCJCVIBYCDENJS-KRWDZBQOSA-N 2 0 335.452 -0.389 20 0 EBADRP CCN1CC[C@H]([N@@H+]2CC[C@](O)(CNC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001368290422 1134108388 /nfs/dbraw/zinc/10/83/88/1134108388.db2.gz USSJIVBZTRAARP-YOEHRIQHSA-N 2 0 338.452 -0.744 20 0 EBADRP C[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001368333616 1134153901 /nfs/dbraw/zinc/15/39/01/1134153901.db2.gz JXZJAAYKYGGUAO-NWDGAFQWSA-N 2 0 339.440 -0.650 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001368338099 1134155187 /nfs/dbraw/zinc/15/51/87/1134155187.db2.gz RTGTWIDOPAIWOP-OLZOCXBDSA-N 2 0 338.456 -0.223 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001368523913 1134274599 /nfs/dbraw/zinc/27/45/99/1134274599.db2.gz NQUSTWPQQHAXHD-FRRDWIJNSA-N 2 0 341.456 -0.343 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1)C(=O)NC(N)=O ZINC001368535587 1134281278 /nfs/dbraw/zinc/28/12/78/1134281278.db2.gz HORRJOAKSBMSTG-WYUUTHIRSA-N 2 0 325.413 -0.994 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001368536820 1134282473 /nfs/dbraw/zinc/28/24/73/1134282473.db2.gz OJXYYZKKXCRESG-XHSDSOJGSA-N 2 0 335.452 -0.176 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001368565475 1134293121 /nfs/dbraw/zinc/29/31/21/1134293121.db2.gz BPQWSWRDDULFQI-CABCVRRESA-N 2 0 329.441 -0.705 20 0 EBADRP CCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001368593931 1134312374 /nfs/dbraw/zinc/31/23/74/1134312374.db2.gz LDJRGECAGQIPGJ-UHFFFAOYSA-N 2 0 338.456 -0.079 20 0 EBADRP CN(C)C(=O)C[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001368615557 1134327046 /nfs/dbraw/zinc/32/70/46/1134327046.db2.gz QZJFKZGTMRITES-CZUORRHYSA-N 2 0 326.441 -0.888 20 0 EBADRP CCN(C)C(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001368623134 1134334148 /nfs/dbraw/zinc/33/41/48/1134334148.db2.gz NHFZMIJCYJTLND-KRWDZBQOSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[C@@H](C(=O)NC1(C[NH2+][C@@H]2CCN(C)C2=O)CCOCC1)[NH+](C)C ZINC001368636129 1134348140 /nfs/dbraw/zinc/34/81/40/1134348140.db2.gz IGSFPRJJKRLSRM-KGLIPLIRSA-N 2 0 340.468 -0.188 20 0 EBADRP CCO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001368654231 1134358113 /nfs/dbraw/zinc/35/81/13/1134358113.db2.gz AWZWSBRJOGYUJT-CHWSQXEVSA-N 2 0 339.444 -0.885 20 0 EBADRP CNC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001368683866 1134383722 /nfs/dbraw/zinc/38/37/22/1134383722.db2.gz BFJGZZXTOWRSKX-ZDUSSCGKSA-N 2 0 326.441 -0.840 20 0 EBADRP CN(C)C(=O)C[NH2+]CC1(O)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001368693009 1134394317 /nfs/dbraw/zinc/39/43/17/1134394317.db2.gz ZNOYDEAVXBUKAX-UHFFFAOYSA-N 2 0 326.441 -0.887 20 0 EBADRP C[C@@H](CCNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001368729726 1134409822 /nfs/dbraw/zinc/40/98/22/1134409822.db2.gz XYQUTDGTPKVBOS-NWDGAFQWSA-N 2 0 327.429 -0.460 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001368745160 1134416422 /nfs/dbraw/zinc/41/64/22/1134416422.db2.gz UFEPRJORCISNIB-STQMWFEESA-N 2 0 339.440 -0.364 20 0 EBADRP C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)CCC[NH+](C)C)C(=O)NC(N)=O ZINC001368781033 1134437625 /nfs/dbraw/zinc/43/76/25/1134437625.db2.gz WZDKMGJUOKULMX-OLZOCXBDSA-N 2 0 341.456 -0.118 20 0 EBADRP Cc1c(C(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)NC(N)=O)ccc2c[nH+]cn21 ZINC001368854921 1134465964 /nfs/dbraw/zinc/46/59/64/1134465964.db2.gz CKUJMAQJLSFUOE-VHSXEESVSA-N 2 0 346.391 -0.066 20 0 EBADRP C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1)C(N)=O ZINC001368922928 1134485223 /nfs/dbraw/zinc/48/52/23/1134485223.db2.gz AVQGHSBRASTTOW-UONOGXRCSA-N 2 0 342.484 -0.097 20 0 EBADRP CN(CC(C)(C)C[NH2+]CC(=O)NC(N)=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001368923572 1134486245 /nfs/dbraw/zinc/48/62/45/1134486245.db2.gz ITEOFGPIEURQAX-NSHDSACASA-N 2 0 327.429 -0.793 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1C[N@H+](CCN2CCNC2=O)CC1(C)C ZINC001369121631 1134576028 /nfs/dbraw/zinc/57/60/28/1134576028.db2.gz YFCUMDUVUNOMBC-ZDUSSCGKSA-N 2 0 325.457 -0.210 20 0 EBADRP C[C@H]([NH2+]CC(=O)N1CCC1)[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001369146835 1134592095 /nfs/dbraw/zinc/59/20/95/1134592095.db2.gz GXQHOOGHLIPFEC-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CNC(=O)C[NH2+][C@H](C)[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001369147841 1134592837 /nfs/dbraw/zinc/59/28/37/1134592837.db2.gz CIIOOUGNWJQZHN-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001369191606 1134612475 /nfs/dbraw/zinc/61/24/75/1134612475.db2.gz RRNCIPINAGZOIV-CHWSQXEVSA-N 2 0 341.456 -0.343 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001369248437 1134628245 /nfs/dbraw/zinc/62/82/45/1134628245.db2.gz FDGNKHJTPPDGKF-GFCCVEGCSA-N 2 0 341.456 -0.247 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001369251444 1134630092 /nfs/dbraw/zinc/63/00/92/1134630092.db2.gz QCJLBJSMAOWMLD-NWDGAFQWSA-N 2 0 341.456 -0.249 20 0 EBADRP CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001369351570 1134701348 /nfs/dbraw/zinc/70/13/48/1134701348.db2.gz USMQSQQNVRPXFR-AWEZNQCLSA-N 2 0 342.484 -0.347 20 0 EBADRP C[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001369397775 1134757219 /nfs/dbraw/zinc/75/72/19/1134757219.db2.gz HMOQEDPETYUYLK-QWHCGFSZSA-N 2 0 339.440 -0.508 20 0 EBADRP C[C@@H]1C[C@H]([NH2+]CCS(C)(=O)=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001369409379 1134766457 /nfs/dbraw/zinc/76/64/57/1134766457.db2.gz WSBHTHZFKGSPOK-OLZOCXBDSA-N 2 0 329.466 -0.294 20 0 EBADRP CN(C[C@H](O)C[NH2+]Cc1cnns1)C(=O)C1([NH+](C)C)CCC1 ZINC001369474523 1134831544 /nfs/dbraw/zinc/83/15/44/1134831544.db2.gz PNPYTWCKRNOPAW-LLVKDONJSA-N 2 0 327.454 -0.069 20 0 EBADRP CN(C[C@H](O)C[NH2+]Cc1ccc(C(N)=O)cc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001369479080 1134843163 /nfs/dbraw/zinc/84/31/63/1134843163.db2.gz DPOVYLNBUDJHPO-JKSUJKDBSA-N 2 0 348.447 -0.354 20 0 EBADRP Cc1cc(C[NH2+]C[C@H](O)CN(C)C(=O)C23CC[NH+](CC2)C3)nn1C ZINC001369483681 1134852079 /nfs/dbraw/zinc/85/20/79/1134852079.db2.gz MGTVUOZHKGZWMB-HNNXBMFYSA-N 2 0 335.452 -0.267 20 0 EBADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001369578641 1134946744 /nfs/dbraw/zinc/94/67/44/1134946744.db2.gz CPLYIZZVUBJXKV-BPCQOVAHSA-N 2 0 337.424 -0.898 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCN1CC[NH+](CCn2cccn2)CC1 ZINC001369939094 1135106337 /nfs/dbraw/zinc/10/63/37/1135106337.db2.gz LSCOOOBGPRNYIT-UHFFFAOYSA-N 2 0 336.484 -0.043 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1)C(=O)NC(N)=O ZINC001370485122 1135370605 /nfs/dbraw/zinc/37/06/05/1135370605.db2.gz QHJNLIAVGSZYNB-LPWJVIDDSA-N 2 0 339.440 -0.319 20 0 EBADRP CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)COC3CC[NH+](C)CC3)C2)C1=O ZINC001370702179 1135519015 /nfs/dbraw/zinc/51/90/15/1135519015.db2.gz BBZFCLVTRZDHLJ-GUTXKFCHSA-N 2 0 338.452 -0.435 20 0 EBADRP Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)COC3CC[NH+](C)CC3)C2)nn1 ZINC001370703440 1135520607 /nfs/dbraw/zinc/52/06/07/1135520607.db2.gz GVSBJYRXLYCEQZ-BETUJISGSA-N 2 0 336.440 -0.337 20 0 EBADRP CN(CC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1)S(C)(=O)=O ZINC001370712541 1135534872 /nfs/dbraw/zinc/53/48/72/1135534872.db2.gz BREBMPRTBQYCMP-BETUJISGSA-N 2 0 332.470 -0.790 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H](CO)CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001370728717 1135556969 /nfs/dbraw/zinc/55/69/69/1135556969.db2.gz JXWKYCYUHPLOFE-KBPBESRZSA-N 2 0 340.468 -0.594 20 0 EBADRP C[NH+](C)CC1(C(=O)NC[C@H](CO)NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001370780934 1135626517 /nfs/dbraw/zinc/62/65/17/1135626517.db2.gz TXZQFKZNZZOBIH-CYBMUJFWSA-N 2 0 340.468 -0.594 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001371198764 1135862646 /nfs/dbraw/zinc/86/26/46/1135862646.db2.gz BCUQRJCQGRSMOQ-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1O)[NH+](C)C ZINC001371472108 1135929633 /nfs/dbraw/zinc/92/96/33/1135929633.db2.gz LZOYYQKKPYTTMY-HZSPNIEDSA-N 2 0 328.457 -0.644 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]CCN1CCCS1(=O)=O ZINC001371477741 1135932204 /nfs/dbraw/zinc/93/22/04/1135932204.db2.gz YZQYIUINYQCOLB-CYBMUJFWSA-N 2 0 334.486 -0.544 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001371517579 1135945086 /nfs/dbraw/zinc/94/50/86/1135945086.db2.gz ALWUUDMOTXTQLY-RBSFLKMASA-N 2 0 340.468 -0.236 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001371528707 1135953807 /nfs/dbraw/zinc/95/38/07/1135953807.db2.gz GDIRMCGVWAWXPX-CABCVRRESA-N 2 0 342.484 -0.254 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001371835869 1136030086 /nfs/dbraw/zinc/03/00/86/1136030086.db2.gz DHYFFDGZJZLFEW-LSDHHAIUSA-N 2 0 342.484 -0.254 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001371845794 1136034794 /nfs/dbraw/zinc/03/47/94/1136034794.db2.gz UCFAUERTKKXJTK-LBPRGKRZSA-N 2 0 341.456 -0.342 20 0 EBADRP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001371882865 1136047434 /nfs/dbraw/zinc/04/74/34/1136047434.db2.gz RYRYXSLFHIKIJO-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C[C@H](O)COC1CCOCC1 ZINC001372223693 1136145598 /nfs/dbraw/zinc/14/55/98/1136145598.db2.gz KFABSXPNHTUCLJ-CABCVRRESA-N 2 0 343.468 -0.457 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001372941003 1136332559 /nfs/dbraw/zinc/33/25/59/1136332559.db2.gz MWGDAHNGUQIVKU-WCQYABFASA-N 2 0 339.440 -0.780 20 0 EBADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)NC(N)=O ZINC001372943630 1136333262 /nfs/dbraw/zinc/33/32/62/1136333262.db2.gz GTPSQEXGMWSTLG-TUAOUCFPSA-N 2 0 327.429 -0.652 20 0 EBADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)C(=O)NC(N)=O ZINC001372945416 1136334119 /nfs/dbraw/zinc/33/41/19/1136334119.db2.gz CHMQVNPRQWPSFI-CHWSQXEVSA-N 2 0 341.456 -0.118 20 0 EBADRP C[N@H+](CC(=O)NCC[C@H]1CC[NH+](CC(=O)NC(N)=O)C1)C1CCC1 ZINC001373193544 1136395309 /nfs/dbraw/zinc/39/53/09/1136395309.db2.gz KHJOYDSLINUZGW-LBPRGKRZSA-N 2 0 339.440 -0.506 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001373322275 1136428323 /nfs/dbraw/zinc/42/83/23/1136428323.db2.gz WUEGKUZMUJPDQZ-GFCCVEGCSA-N 2 0 341.456 -0.308 20 0 EBADRP NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001373965925 1136595150 /nfs/dbraw/zinc/59/51/50/1136595150.db2.gz JMCVZNHLNDQQCZ-CYBMUJFWSA-N 2 0 328.376 -0.053 20 0 EBADRP CC(C)C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001374352907 1136677985 /nfs/dbraw/zinc/67/79/85/1136677985.db2.gz RDJGDCXBCAZDTE-OLZOCXBDSA-N 2 0 341.456 -0.214 20 0 EBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001374381125 1136680691 /nfs/dbraw/zinc/68/06/91/1136680691.db2.gz GAUSJJNAQHTKBL-CHWSQXEVSA-N 2 0 338.456 -0.223 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001374383323 1136681002 /nfs/dbraw/zinc/68/10/02/1136681002.db2.gz JMUMPARYAFDRCN-VXGBXAGGSA-N 2 0 327.429 -0.650 20 0 EBADRP C[C@H]([NH2+]CC(=O)NC(N)=O)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001374395684 1136682562 /nfs/dbraw/zinc/68/25/62/1136682562.db2.gz PMIOPSDRBMLJOQ-RYUDHWBXSA-N 2 0 327.429 -0.650 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC(C)(C)C)CCC1 ZINC001374612553 1136746048 /nfs/dbraw/zinc/74/60/48/1136746048.db2.gz BDPMCMRHSZXECN-CYBMUJFWSA-N 2 0 342.484 -0.300 20 0 EBADRP Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1=O ZINC001374617456 1136751886 /nfs/dbraw/zinc/75/18/86/1136751886.db2.gz LLLSNKWZDDNOMK-GJZGRUSLSA-N 2 0 336.436 -0.564 20 0 EBADRP CN1CCC[C@@H]([NH2+]C[C@H](O)CNC(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001374635124 1136765341 /nfs/dbraw/zinc/76/53/41/1136765341.db2.gz VIVUUHAONKAGPW-UONOGXRCSA-N 2 0 340.468 -0.452 20 0 EBADRP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001374652647 1136776172 /nfs/dbraw/zinc/77/61/72/1136776172.db2.gz OTBUXOVBIPNKGI-XHSDSOJGSA-N 2 0 348.447 -0.856 20 0 EBADRP C[NH+]1CCC(OCC(=O)NC[C@@H](O)C[NH2+]Cc2ccns2)CC1 ZINC001374655538 1136778943 /nfs/dbraw/zinc/77/89/43/1136778943.db2.gz DLTUUKQDQXWQMZ-LBPRGKRZSA-N 2 0 342.465 -0.179 20 0 EBADRP Cn1ccnc1C[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001374660007 1136782779 /nfs/dbraw/zinc/78/27/79/1136782779.db2.gz VWGMHDVXRHJPEW-CYBMUJFWSA-N 2 0 325.457 -0.035 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]CC(=O)N1CCCCC1 ZINC001374684490 1136800495 /nfs/dbraw/zinc/80/04/95/1136800495.db2.gz MJRGOWAWEUSFNK-AWEZNQCLSA-N 2 0 326.441 -0.839 20 0 EBADRP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001374751727 1136821947 /nfs/dbraw/zinc/82/19/47/1136821947.db2.gz LOABENUEHAMJND-CQSZACIVSA-N 2 0 336.440 -0.615 20 0 EBADRP CC(C)[C@H](C(=O)NC1CN(C(=O)[C@H]2CN(C)CCO2)C1)[NH+](C)C ZINC001374758633 1136824008 /nfs/dbraw/zinc/82/40/08/1136824008.db2.gz SXRRJCUMFINNLK-ZIAGYGMSSA-N 2 0 326.441 -0.770 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001374922227 1136874828 /nfs/dbraw/zinc/87/48/28/1136874828.db2.gz NWXJSBRLKVUDNH-CMPLNLGQSA-N 2 0 325.413 -0.837 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)NC1CCOCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001374928793 1136877534 /nfs/dbraw/zinc/87/75/34/1136877534.db2.gz ZSMZNPUWQQWFQG-ZDUSSCGKSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)N1CCOC[C@H]1C1CC1)NC(=O)CC[NH+](C)C ZINC001374931118 1136878436 /nfs/dbraw/zinc/87/84/36/1136878436.db2.gz ORDZJBNDJSJTKO-ZFWWWQNUSA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CCO1 ZINC000332368117 282122484 /nfs/dbraw/zinc/12/24/84/282122484.db2.gz XXEMWKFXNSZZIN-RRFJBIMHSA-N 2 0 338.452 -0.672 20 0 EBADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@H](O)CN1CCOCC1 ZINC000371299541 282210677 /nfs/dbraw/zinc/21/06/77/282210677.db2.gz ICDUDYMJZQCQFI-QBPKDAKJSA-N 2 0 327.469 -0.137 20 0 EBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000643577009 375911303 /nfs/dbraw/zinc/91/13/03/375911303.db2.gz YNFXLROKIJMJRF-KGLIPLIRSA-N 2 0 325.457 -0.923 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000565481087 376084087 /nfs/dbraw/zinc/08/40/87/376084087.db2.gz NCZGRANJQBTTBK-BFHYXJOUSA-N 2 0 340.468 -0.060 20 0 EBADRP C[C@@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)C[NH+]1CCN(C)CC1 ZINC000564924770 376402378 /nfs/dbraw/zinc/40/23/78/376402378.db2.gz YFHVTOHFZBHIBM-LSDHHAIUSA-N 2 0 349.483 -0.357 20 0 EBADRP CCN1CCN(C(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)C[C@H]1c1ncc[nH]1 ZINC000410483450 376468439 /nfs/dbraw/zinc/46/84/39/376468439.db2.gz DQZKHOPFUVLULJ-KBPBESRZSA-N 2 0 348.451 -0.223 20 0 EBADRP CC[NH+]1CCC(CNC(=O)C(=O)N(CCOC)CC[NH+](C)C)CC1 ZINC000569598398 376507439 /nfs/dbraw/zinc/50/74/39/376507439.db2.gz XBMRVZJDKICPOP-UHFFFAOYSA-N 2 0 342.484 -0.129 20 0 EBADRP O=C(NCCC[NH2+]C1CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000642896323 376562485 /nfs/dbraw/zinc/56/24/85/376562485.db2.gz UETOEBZVVXFKAI-UHFFFAOYSA-N 2 0 331.420 -0.012 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000559662035 376599694 /nfs/dbraw/zinc/59/96/94/376599694.db2.gz NGTWLJJBTHKLRR-UHFFFAOYSA-N 2 0 341.500 -0.461 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642904580 376683856 /nfs/dbraw/zinc/68/38/56/376683856.db2.gz ZLYMUJCPXSTJPG-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000642914850 376732593 /nfs/dbraw/zinc/73/25/93/376732593.db2.gz ONVDYDSGRWTRPT-GJZGRUSLSA-N 2 0 337.468 -0.907 20 0 EBADRP C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642918153 376750448 /nfs/dbraw/zinc/75/04/48/376750448.db2.gz OTOAADPPSDEXJJ-GFCCVEGCSA-N 2 0 326.441 -0.842 20 0 EBADRP O=C(NCC[NH2+]C1CC1)C(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000642919249 376751429 /nfs/dbraw/zinc/75/14/29/376751429.db2.gz UQJBCMNRUCXPKG-OAHLLOKOSA-N 2 0 338.452 -0.432 20 0 EBADRP CO[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC[C@H]1C ZINC000560637381 376755004 /nfs/dbraw/zinc/75/50/04/376755004.db2.gz AHZDJJMFZSQJGG-CABCVRRESA-N 2 0 342.484 -0.178 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000561560053 376854345 /nfs/dbraw/zinc/85/43/45/376854345.db2.gz JCCFXBDVERWXST-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[C@H](NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)C(C)(C)C[NH+](C)C ZINC000566513088 376858560 /nfs/dbraw/zinc/85/85/60/376858560.db2.gz TZYBFIHEBZNWHW-AVGNSLFASA-N 2 0 325.457 -0.084 20 0 EBADRP C[C@@H]1CN([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C[C@H](C)[N@H+]1CCO ZINC000562512121 376975485 /nfs/dbraw/zinc/97/54/85/376975485.db2.gz KYRXWPNFAJNHPL-ZNMIVQPWSA-N 2 0 340.468 -0.548 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000562012110 376906616 /nfs/dbraw/zinc/90/66/16/376906616.db2.gz GWXDAWJNUNELAL-HUUCEWRRSA-N 2 0 337.468 -0.955 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCOC2(CCC2)C1 ZINC000562692454 376984201 /nfs/dbraw/zinc/98/42/01/376984201.db2.gz MYCHBZQTVBEODG-UHFFFAOYSA-N 2 0 340.468 -0.280 20 0 EBADRP O=C(CNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)N1CC[NH2+]CC1 ZINC000562814288 376998611 /nfs/dbraw/zinc/99/86/11/376998611.db2.gz OZLXDGSMMAOFRA-LSDHHAIUSA-N 2 0 337.468 -0.018 20 0 EBADRP COCCOCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC000635929355 377138309 /nfs/dbraw/zinc/13/83/09/377138309.db2.gz UASXOEFMELFPBT-HOTGVXAUSA-N 2 0 343.468 -0.361 20 0 EBADRP CN1CCN(C(=O)Cc2csc(N3CCCC3=O)n2)[C@H](C[NH3+])C1 ZINC000569720309 377156979 /nfs/dbraw/zinc/15/69/79/377156979.db2.gz ARIXSNVIUIVYNS-GFCCVEGCSA-N 2 0 337.449 -0.086 20 0 EBADRP COCC1(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC[NH2+]CC1 ZINC000569720422 377157365 /nfs/dbraw/zinc/15/73/65/377157365.db2.gz CTXGRHXOGXTPND-ZDUSSCGKSA-N 2 0 336.440 -0.224 20 0 EBADRP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000570224988 377219792 /nfs/dbraw/zinc/21/97/92/377219792.db2.gz ALZHUSQSMUHFIB-JKSUJKDBSA-N 2 0 346.431 -0.653 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC1(N2CCOCC2)CC1 ZINC000570268256 377225878 /nfs/dbraw/zinc/22/58/78/377225878.db2.gz LYJDDBZVGZLDNY-UHFFFAOYSA-N 3 0 341.500 -0.014 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000636486013 377423432 /nfs/dbraw/zinc/42/34/32/377423432.db2.gz DAOCVFWPMARMEV-GJZGRUSLSA-N 2 0 328.457 -0.291 20 0 EBADRP Cn1ccnc1CN1CCN(C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000601350334 377533986 /nfs/dbraw/zinc/53/39/86/377533986.db2.gz COEDITNMJKMRDN-HNNXBMFYSA-N 2 0 349.483 -0.507 20 0 EBADRP C[NH+](C)CCCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000590845254 377681253 /nfs/dbraw/zinc/68/12/53/377681253.db2.gz OZXRPJFVWKFZQX-UHFFFAOYSA-N 2 0 325.457 -0.112 20 0 EBADRP CC(C)[C@@H](CNC(=O)c1cn(CCC[NH3+])nn1)N1CC[NH+](C)CC1 ZINC000563077775 377977163 /nfs/dbraw/zinc/97/71/63/377977163.db2.gz QXFMJPRNYJUQHK-OAHLLOKOSA-N 2 0 337.472 -0.371 20 0 EBADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000595958208 378038502 /nfs/dbraw/zinc/03/85/02/378038502.db2.gz YXHAXXGGJIMEFW-UONOGXRCSA-N 2 0 327.425 -0.259 20 0 EBADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000602508798 378361554 /nfs/dbraw/zinc/36/15/54/378361554.db2.gz MEFQJNOKEQPGPY-INIZCTEOSA-N 2 0 327.425 -0.244 20 0 EBADRP COC(=O)[C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC[N@H+](C)C1 ZINC000602163959 378338669 /nfs/dbraw/zinc/33/86/69/378338669.db2.gz RQBVNYJNXSJGOF-CQSZACIVSA-N 2 0 341.452 -0.092 20 0 EBADRP C[NH+](C)CCCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604631123 378465574 /nfs/dbraw/zinc/46/55/74/378465574.db2.gz IJBYQUYLNBQGHP-HNNXBMFYSA-N 2 0 327.473 -0.356 20 0 EBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000636945356 378435908 /nfs/dbraw/zinc/43/59/08/378435908.db2.gz WTQDGVOEJAULID-HRCADAONSA-N 2 0 340.468 -0.270 20 0 EBADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000637264011 378553123 /nfs/dbraw/zinc/55/31/23/378553123.db2.gz JAOHIJXEHQCWMS-GJZGRUSLSA-N 2 0 329.489 -0.376 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@@H]1CCOC1 ZINC000570956724 378718297 /nfs/dbraw/zinc/71/82/97/378718297.db2.gz BLNMYWPLWBWHDB-CQSZACIVSA-N 2 0 328.457 -0.519 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](CCCO)C1 ZINC000565407648 378764955 /nfs/dbraw/zinc/76/49/55/378764955.db2.gz RLXKJSCGLUINEK-HNNXBMFYSA-N 2 0 342.484 -0.441 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C[C@H]3[C@H](CO)[C@H]3C2)C1 ZINC000366437514 378965793 /nfs/dbraw/zinc/96/57/93/378965793.db2.gz KFLOREZUFYXEDM-WCVJEAGWSA-N 2 0 325.453 -0.371 20 0 EBADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627469792 379007753 /nfs/dbraw/zinc/00/77/53/379007753.db2.gz FEYULMVPYMWUCB-OCCSQVGLSA-N 2 0 326.441 -0.720 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000563536593 379041536 /nfs/dbraw/zinc/04/15/36/379041536.db2.gz BZGGZPZRRZGHFW-RRFJBIMHSA-N 2 0 340.468 -0.058 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CCN(C)C[C@@H]2C[NH3+])CCCO1 ZINC000563593818 379048017 /nfs/dbraw/zinc/04/80/17/379048017.db2.gz ZAQRBFJCHVUHIF-CABCVRRESA-N 3 0 327.473 -0.228 20 0 EBADRP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+](C)CCOCC[NH3+] ZINC000629577325 379053103 /nfs/dbraw/zinc/05/31/03/379053103.db2.gz GIJGRIKKKYRUAR-CQSZACIVSA-N 2 0 336.440 -0.579 20 0 EBADRP C[NH+](C)CCN1C[C@@H](C(=O)NCCCC[NH+]2CCOCC2)CC1=O ZINC000074220962 379097175 /nfs/dbraw/zinc/09/71/75/379097175.db2.gz KTOQEGJEZVNLKL-HNNXBMFYSA-N 2 0 340.468 -0.375 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627291953 379120883 /nfs/dbraw/zinc/12/08/83/379120883.db2.gz IXSKNNVLOZHMCI-MRXNPFEDSA-N 2 0 348.447 -0.271 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000618300002 379136085 /nfs/dbraw/zinc/13/60/85/379136085.db2.gz JICFFQKWYYUGBW-UHFFFAOYSA-N 2 0 338.456 -0.463 20 0 EBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CC[C@H]([NH+]3CC=CC3)C1)C2 ZINC000629821773 379162411 /nfs/dbraw/zinc/16/24/11/379162411.db2.gz CXSJZSJYJNWXPC-JCGIZDLHSA-N 2 0 332.448 -0.083 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627293192 379139918 /nfs/dbraw/zinc/13/99/18/379139918.db2.gz NIZMGCFQZLLKLN-JKSUJKDBSA-N 2 0 346.431 -0.518 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000629798893 379142622 /nfs/dbraw/zinc/14/26/22/379142622.db2.gz MKUHHTRNMCXRCK-UONOGXRCSA-N 2 0 328.457 -0.521 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000629801117 379144818 /nfs/dbraw/zinc/14/48/18/379144818.db2.gz BQSDPGUDSPVZFU-HNNXBMFYSA-N 2 0 340.468 -0.390 20 0 EBADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)[C@H]1c1ccccc1 ZINC000627297635 379146556 /nfs/dbraw/zinc/14/65/56/379146556.db2.gz PBRHQYVMDUABNP-OWCLPIDISA-N 2 0 346.431 -0.347 20 0 EBADRP CC[NH2+]CCCNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000571388197 379168908 /nfs/dbraw/zinc/16/89/08/379168908.db2.gz QBVGVOHIATYLJN-CQSZACIVSA-N 2 0 328.457 -0.281 20 0 EBADRP COC[C@]1(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC[NH2+]C1 ZINC000571554708 379215555 /nfs/dbraw/zinc/21/55/55/379215555.db2.gz IVZZPHAAODPXRB-PBHICJAKSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627300865 379219030 /nfs/dbraw/zinc/21/90/30/379219030.db2.gz NNXHDKBZULYQEL-MELADBBJSA-N 2 0 326.441 -0.674 20 0 EBADRP CCC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627302216 379232392 /nfs/dbraw/zinc/23/23/92/379232392.db2.gz CVNYIYNDOQXVQJ-CQSZACIVSA-N 2 0 326.441 -0.671 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000627303236 379233822 /nfs/dbraw/zinc/23/38/22/379233822.db2.gz LNSXBHUDDKZZSB-HNNXBMFYSA-N 2 0 334.420 -0.661 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)N1CC[NH+](C)C[C@H](C(=O)OC)C1 ZINC000413311146 379227119 /nfs/dbraw/zinc/22/71/19/379227119.db2.gz ICIUTCMGSNQHML-AWEZNQCLSA-N 2 0 344.456 -0.299 20 0 EBADRP CCNC(=O)C(C)(C)[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000459568056 379249343 /nfs/dbraw/zinc/24/93/43/379249343.db2.gz ZIFSZOZNUWOLEH-AWEZNQCLSA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000627305926 379278410 /nfs/dbraw/zinc/27/84/10/379278410.db2.gz LGDFVASTNCXPQV-ZGKBOVNRSA-N 2 0 338.452 -0.653 20 0 EBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000627305626 379280061 /nfs/dbraw/zinc/28/00/61/379280061.db2.gz CBTQUKGZHARRHL-QLFBSQMISA-N 2 0 338.452 -0.651 20 0 EBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627320089 379322788 /nfs/dbraw/zinc/32/27/88/379322788.db2.gz QBBFWTOEHCJHDT-KBPBESRZSA-N 2 0 326.441 -0.528 20 0 EBADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)CC(C)C ZINC000627324700 379330454 /nfs/dbraw/zinc/33/04/54/379330454.db2.gz KFSLNJFADCNWDA-CABCVRRESA-N 2 0 342.484 -0.036 20 0 EBADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)C(C)(C)C ZINC000627326253 379332233 /nfs/dbraw/zinc/33/22/33/379332233.db2.gz KQIZMTHASIMURR-CHWSQXEVSA-N 2 0 328.457 -0.426 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627332581 379343697 /nfs/dbraw/zinc/34/36/97/379343697.db2.gz DMGOPZBIAULGFP-AWEZNQCLSA-N 2 0 340.468 -0.153 20 0 EBADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627312113 379304345 /nfs/dbraw/zinc/30/43/45/379304345.db2.gz PTCROBQSRXCZNG-KBPBESRZSA-N 2 0 328.457 -0.295 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627313995 379313201 /nfs/dbraw/zinc/31/32/01/379313201.db2.gz RFRZYKKSGAHPJO-GZBFAFLISA-N 3 0 337.468 -0.862 20 0 EBADRP CC[NH+]1CCC(NC(=O)Cn2cc(CN(C)CCC[NH3+])nn2)CC1 ZINC000640867517 379361403 /nfs/dbraw/zinc/36/14/03/379361403.db2.gz SHOIDHANMBIHMT-UHFFFAOYSA-N 2 0 337.472 -0.341 20 0 EBADRP C[NH+](C)CCN1C(=O)C[C@@H]([NH+]2CCC(Cn3cncn3)CC2)C1=O ZINC000487511001 379498583 /nfs/dbraw/zinc/49/85/83/379498583.db2.gz GPOBDKSWMXSQAN-CQSZACIVSA-N 2 0 334.424 -0.321 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000486969179 379479954 /nfs/dbraw/zinc/47/99/54/379479954.db2.gz OBENHMFPWAIEOW-HUUCEWRRSA-N 2 0 325.453 -0.130 20 0 EBADRP Nc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)nc(N)[nH+]1 ZINC000623989312 379496766 /nfs/dbraw/zinc/49/67/66/379496766.db2.gz SFEIUSTULZHACL-QWHCGFSZSA-N 2 0 329.408 -0.586 20 0 EBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000642056007 379538917 /nfs/dbraw/zinc/53/89/17/379538917.db2.gz KUNWNINLHFXMIP-CQSZACIVSA-N 2 0 340.468 -0.151 20 0 EBADRP Nc1nc(N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)nc(N)[nH+]1 ZINC000624048715 379503096 /nfs/dbraw/zinc/50/30/96/379503096.db2.gz SOVYGZAZKWCJEG-QWHCGFSZSA-N 2 0 329.408 -0.586 20 0 EBADRP CO[C@@H]1C[NH+](CCOCC[NH+]2C[C@H](OC)[C@@H](OC)C2)C[C@H]1OC ZINC000488036760 379509207 /nfs/dbraw/zinc/50/92/07/379509207.db2.gz SQZFZCGNEGYIDJ-RUPPMWDTSA-N 2 0 332.441 -0.306 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CCCCC1 ZINC000627397298 379579960 /nfs/dbraw/zinc/57/99/60/379579960.db2.gz JNCLCEHMAVJADJ-CYBMUJFWSA-N 2 0 326.441 -0.528 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000627394586 379580570 /nfs/dbraw/zinc/58/05/70/379580570.db2.gz KYROYMATAVXJJD-CYBMUJFWSA-N 2 0 328.457 -0.425 20 0 EBADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCOCCC[NH3+] ZINC000627394490 379580710 /nfs/dbraw/zinc/58/07/10/379580710.db2.gz IKEWOYQEGGVPND-CYBMUJFWSA-N 2 0 328.457 -0.295 20 0 EBADRP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CCOCC1 ZINC000627425350 379592220 /nfs/dbraw/zinc/59/22/20/379592220.db2.gz MUZOUTSVNPYXEJ-UONOGXRCSA-N 2 0 338.452 -0.256 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000627425688 379593125 /nfs/dbraw/zinc/59/31/25/379593125.db2.gz XFAYCLATZFUNLO-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000627427714 379593298 /nfs/dbraw/zinc/59/32/98/379593298.db2.gz MCGDNIPQOUXLDC-AWEZNQCLSA-N 2 0 340.468 -0.009 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627367360 379568544 /nfs/dbraw/zinc/56/85/44/379568544.db2.gz RCOCZIFVXQQQLI-UONOGXRCSA-N 2 0 338.452 -0.386 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000627366657 379568954 /nfs/dbraw/zinc/56/89/54/379568954.db2.gz YBNYCPOIUJYCKF-UHFFFAOYSA-N 2 0 328.457 -0.343 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627366991 379569106 /nfs/dbraw/zinc/56/91/06/379569106.db2.gz HSNMEYWVBZZWQG-BFHYXJOUSA-N 2 0 326.441 -0.530 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NCC2([NH3+])CCOCC2)CCSC1 ZINC000627370889 379569549 /nfs/dbraw/zinc/56/95/49/379569549.db2.gz PNCVLXUDBLWVFX-OAHLLOKOSA-N 2 0 344.481 -0.836 20 0 EBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000627371013 379572469 /nfs/dbraw/zinc/57/24/69/379572469.db2.gz SORXFIYWOZNTAC-CZUORRHYSA-N 2 0 342.509 -0.004 20 0 EBADRP CC(C)(CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)C[NH+]1CCCC1 ZINC000627382412 379574591 /nfs/dbraw/zinc/57/45/91/379574591.db2.gz XSOKCMCOPCAYOZ-ZDUSSCGKSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@@H](CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[NH+]1CCCCC1 ZINC000627387028 379576493 /nfs/dbraw/zinc/57/64/93/379576493.db2.gz CZGRLERNQURNTF-UONOGXRCSA-N 2 0 326.441 -0.528 20 0 EBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCOCCC[NH3+])CC[C@@H]21 ZINC000627486844 379635038 /nfs/dbraw/zinc/63/50/38/379635038.db2.gz MRJGWDKDBMFEHV-KBPBESRZSA-N 2 0 326.441 -0.589 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000627499042 379644099 /nfs/dbraw/zinc/64/40/99/379644099.db2.gz XJASXSVDZVYBTN-GXTWGEPZSA-N 2 0 326.441 -0.842 20 0 EBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000627507265 379648972 /nfs/dbraw/zinc/64/89/72/379648972.db2.gz JMTOLVCAFDIRIJ-CQSZACIVSA-N 2 0 338.452 -0.432 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000627456704 379607639 /nfs/dbraw/zinc/60/76/39/379607639.db2.gz VUAJIYYXPHJUNQ-SOUVJXGZSA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000627463218 379612007 /nfs/dbraw/zinc/61/20/07/379612007.db2.gz QMXAIENMIWLAOX-KGLIPLIRSA-N 2 0 326.441 -0.719 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000627463160 379612037 /nfs/dbraw/zinc/61/20/37/379612037.db2.gz PEBJUMOWHLXYHC-CABCVRRESA-N 2 0 340.468 -0.188 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCOCC[NH2+]C)[C@H](C)C1 ZINC000627462528 379612457 /nfs/dbraw/zinc/61/24/57/379612457.db2.gz VXSSCTADHWBBRA-KGLIPLIRSA-N 2 0 328.457 -0.473 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000627463217 379612619 /nfs/dbraw/zinc/61/26/19/379612619.db2.gz QMXAIENMIWLAOX-KBPBESRZSA-N 2 0 326.441 -0.719 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000627463815 379612839 /nfs/dbraw/zinc/61/28/39/379612839.db2.gz JBKINRQLBHXFLJ-CYBMUJFWSA-N 2 0 328.457 -0.473 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000627464536 379613873 /nfs/dbraw/zinc/61/38/73/379613873.db2.gz FBUADIHPRIXQBV-KGLIPLIRSA-N 2 0 328.457 -0.425 20 0 EBADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627473191 379623171 /nfs/dbraw/zinc/62/31/71/379623171.db2.gz IRSCGMORPMWNQL-UONOGXRCSA-N 2 0 326.441 -0.815 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[NH2+]1 ZINC000627479169 379627595 /nfs/dbraw/zinc/62/75/95/379627595.db2.gz XIUYMEPRHVYKNX-QPSCCSFWSA-N 2 0 340.468 -0.141 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000642222623 379745472 /nfs/dbraw/zinc/74/54/72/379745472.db2.gz ITYHWUOAINTGAN-CABCVRRESA-N 2 0 340.468 -0.282 20 0 EBADRP [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631946902 379790413 /nfs/dbraw/zinc/79/04/13/379790413.db2.gz NOZZQEAKJUPCEE-DZGCQCFKSA-N 2 0 325.434 -0.137 20 0 EBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCCC[NH2+]Cc1cccnc1 ZINC000631901851 379767666 /nfs/dbraw/zinc/76/76/66/379767666.db2.gz PVTZVAIDTYATHL-AWEZNQCLSA-N 2 0 328.438 -0.531 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CC1 ZINC000631908378 379770141 /nfs/dbraw/zinc/77/01/41/379770141.db2.gz MKNPJLQMMCUIOB-OAHLLOKOSA-N 2 0 330.498 -0.220 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C[NH2+]1 ZINC000626979814 379770633 /nfs/dbraw/zinc/77/06/33/379770633.db2.gz LSLDXXUSFDSOEG-OWCLPIDISA-N 2 0 339.484 -0.167 20 0 EBADRP C[C@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)[C@H]1CCC[NH2+]C1 ZINC000631902448 379771184 /nfs/dbraw/zinc/77/11/84/379771184.db2.gz JGMSQUXHIFKZLQ-GJZGRUSLSA-N 2 0 332.514 -0.069 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000626979459 379771272 /nfs/dbraw/zinc/77/12/72/379771272.db2.gz CBEMNYXWSKCCLN-OWCLPIDISA-N 2 0 339.484 -0.167 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N(C)CCOCC[NH3+])CC1 ZINC000626986886 379773632 /nfs/dbraw/zinc/77/36/32/379773632.db2.gz PQEYTJLVMSUQQL-OAHLLOKOSA-N 2 0 329.489 -0.123 20 0 EBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000631925228 379781395 /nfs/dbraw/zinc/78/13/95/379781395.db2.gz QALNCBYKKNAWNI-CYBMUJFWSA-N 2 0 336.527 -0.058 20 0 EBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NCC1([NH3+])CCOCC1 ZINC000627147494 379813806 /nfs/dbraw/zinc/81/38/06/379813806.db2.gz JJVRNUYWLYKGGU-CYBMUJFWSA-N 2 0 341.456 -0.477 20 0 EBADRP C[NH+](C)CCCS(=O)(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000632112863 379817245 /nfs/dbraw/zinc/81/72/45/379817245.db2.gz LIAPDFSYPJDVFW-CQSZACIVSA-N 2 0 346.497 -0.494 20 0 EBADRP C[NH2+]CCOCCNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000627176209 379820948 /nfs/dbraw/zinc/82/09/48/379820948.db2.gz NEJIHLMPHZINBF-OAHLLOKOSA-N 2 0 327.473 -0.356 20 0 EBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000632999725 379920561 /nfs/dbraw/zinc/92/05/61/379920561.db2.gz AXLPWLPFXIKSTF-GFCCVEGCSA-N 2 0 334.424 -0.091 20 0 EBADRP CC[C@H](C(=O)NCC1(NC(=O)[C@H](CC)[NH+](C)C)COC1)[NH+](C)C ZINC000633917864 379978201 /nfs/dbraw/zinc/97/82/01/379978201.db2.gz XZOZCSIYWDYQJW-OLZOCXBDSA-N 2 0 328.457 -0.332 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000633090388 379933075 /nfs/dbraw/zinc/93/30/75/379933075.db2.gz DGKVXJZRGMABCB-HUUCEWRRSA-N 2 0 339.484 -0.865 20 0 EBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633088613 379933249 /nfs/dbraw/zinc/93/32/49/379933249.db2.gz LSKVAAJOJKJJPM-OKILXGFUSA-N 2 0 338.452 -0.482 20 0 EBADRP O=C(C(=O)N1CC[NH+](CC2CCOCC2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633094737 379933786 /nfs/dbraw/zinc/93/37/86/379933786.db2.gz YQJAEEHINUDOEC-GJZGRUSLSA-N 2 0 336.436 -0.870 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000633102154 379938721 /nfs/dbraw/zinc/93/87/21/379938721.db2.gz RBAXBKGKIAGMSY-VGWMRTNUSA-N 2 0 349.479 -0.957 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)C[C@H]1C[NH3+] ZINC000633113836 379944307 /nfs/dbraw/zinc/94/43/07/379944307.db2.gz PVYKHYPFQHEVQW-HUUCEWRRSA-N 2 0 341.500 -0.619 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H]([NH3+])C[C@H]3C)CC2)c1 ZINC000633115170 379944848 /nfs/dbraw/zinc/94/48/48/379944848.db2.gz GWPLCXURJYGDOB-OLZOCXBDSA-N 2 0 347.419 -0.313 20 0 EBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000633150002 379949623 /nfs/dbraw/zinc/94/96/23/379949623.db2.gz YPBNKTACIHIZJH-YNEHKIRRSA-N 2 0 326.441 -0.762 20 0 EBADRP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H](C)C[NH+](C)C)O1 ZINC000614839654 379987984 /nfs/dbraw/zinc/98/79/84/379987984.db2.gz RUIMGVCGOHATGB-XDQVBPFNSA-N 2 0 328.457 -0.333 20 0 EBADRP [NH3+]C1(CNC(=O)NCC(=O)N2CC[NH2+]CC2)C2CC3CC(C2)CC1C3 ZINC000634249892 379991130 /nfs/dbraw/zinc/99/11/30/379991130.db2.gz YKOGIMWHPPCZQQ-UHFFFAOYSA-N 2 0 349.479 -0.129 20 0 EBADRP O=C(NC[C@H]1CCCC[NH2+]1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000634271650 379992985 /nfs/dbraw/zinc/99/29/85/379992985.db2.gz VIDJTLOVGAJVNH-LSDHHAIUSA-N 2 0 337.468 -0.018 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@@](C)(O)C[NH+](C)C)CC1 ZINC000128588118 380001745 /nfs/dbraw/zinc/00/17/45/380001745.db2.gz ZFACNALUYCHHID-NVXWUHKLSA-N 2 0 343.516 -0.128 20 0 EBADRP O=C(CN1CC[NH2+]CC1)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000638056959 380074812 /nfs/dbraw/zinc/07/48/12/380074812.db2.gz MXBMBRHYIWERRV-UHFFFAOYSA-N 2 0 342.447 -0.116 20 0 EBADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccncc2)CC1)N1CCNCC1=O ZINC000638065342 380083043 /nfs/dbraw/zinc/08/30/43/380083043.db2.gz RYKUKOKTTFTTMW-CQSZACIVSA-N 2 0 345.447 -0.018 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000354692494 380084495 /nfs/dbraw/zinc/08/44/95/380084495.db2.gz WMVODQRGUWMXEX-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CC[C@](O)(CNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000545884392 380100396 /nfs/dbraw/zinc/10/03/96/380100396.db2.gz MTYBEDQVUYZWCC-YOEHRIQHSA-N 2 0 340.468 -0.147 20 0 EBADRP COC[C@]1(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCCC[NH2+]1 ZINC000638089332 380115443 /nfs/dbraw/zinc/11/54/43/380115443.db2.gz NXUFYTKCVQNBOP-PBHICJAKSA-N 2 0 340.468 -0.151 20 0 EBADRP CNC(=O)N[C@H]1CC[NH+](CCCC[N@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000546638365 380117538 /nfs/dbraw/zinc/11/75/38/380117538.db2.gz OMBMXLPAZDUGHJ-KBPBESRZSA-N 2 0 340.472 -0.227 20 0 EBADRP [NH3+]C[C@@]1(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CCCOC1 ZINC000638116497 380166355 /nfs/dbraw/zinc/16/63/55/380166355.db2.gz DOUGFBXVYPUBSH-WBVHZDCISA-N 2 0 340.468 -0.735 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000355267970 380175945 /nfs/dbraw/zinc/17/59/45/380175945.db2.gz SAQBYUVHSOVERK-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000355267964 380177090 /nfs/dbraw/zinc/17/70/90/380177090.db2.gz SAQBYUVHSOVERK-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CC[NH+](CC2CCOCC2)CC1 ZINC000367197369 380180005 /nfs/dbraw/zinc/18/00/05/380180005.db2.gz RVJUFTGASLREKN-QGZVFWFLSA-N 2 0 336.480 -0.053 20 0 EBADRP C[NH+]1CCN(Cc2ccc(CNC(=O)CN3CC[NH2+]CC3)cc2)CC1 ZINC000638135934 380194404 /nfs/dbraw/zinc/19/44/04/380194404.db2.gz DYUQJOYDMIOXCW-UHFFFAOYSA-N 2 0 345.491 -0.045 20 0 EBADRP C[NH+]1CCN(c2cc(CNC(=O)[C@@]3(C)C[NH2+]CCO3)ccn2)CC1 ZINC000638135977 380194435 /nfs/dbraw/zinc/19/44/35/380194435.db2.gz FMRGSXGQMMWWNW-QGZVFWFLSA-N 2 0 333.436 -0.172 20 0 EBADRP Cc1cccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000550801160 380258158 /nfs/dbraw/zinc/25/81/58/380258158.db2.gz WVZQGMIDFPGOFW-UHFFFAOYSA-N 2 0 335.452 -0.042 20 0 EBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000340213500 380261413 /nfs/dbraw/zinc/26/14/13/380261413.db2.gz GTURBQYNPVOKRU-AWEZNQCLSA-N 2 0 328.457 -0.471 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCCS1 ZINC000548817122 380231922 /nfs/dbraw/zinc/23/19/22/380231922.db2.gz RJKFBKJTMIUFSP-ZDUSSCGKSA-N 2 0 330.498 -0.050 20 0 EBADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)CNC(=O)C[NH3+] ZINC000286197784 380291731 /nfs/dbraw/zinc/29/17/31/380291731.db2.gz SCBONEPEKBTVFK-UHFFFAOYSA-N 2 0 328.363 -0.070 20 0 EBADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000638241838 380307310 /nfs/dbraw/zinc/30/73/10/380307310.db2.gz TYTPVCQYDMGOAS-QZTJIDSGSA-N 2 0 345.491 -0.048 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000552939471 380314162 /nfs/dbraw/zinc/31/41/62/380314162.db2.gz MJRFMPBJLUTEDP-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000565488449 380422263 /nfs/dbraw/zinc/42/22/63/380422263.db2.gz JVTSQINIFZVEMU-NEPJUHHUSA-N 2 0 334.424 -0.365 20 0 EBADRP CC(C)[C@H](C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[C@H](C)[NH3+] ZINC000638480887 380484486 /nfs/dbraw/zinc/48/44/86/380484486.db2.gz BOLAPKANVYBSEX-KBPBESRZSA-N 2 0 325.457 -0.225 20 0 EBADRP O=C(CC[C@@H]1CCC[NH2+]C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638485962 380486952 /nfs/dbraw/zinc/48/69/52/380486952.db2.gz MTFCKUXSNOEITB-HNNXBMFYSA-N 2 0 337.468 -0.064 20 0 EBADRP Cc1cccc(OC[C@H](O)C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000567111069 380502531 /nfs/dbraw/zinc/50/25/31/380502531.db2.gz GPZBXDKMYSDTSX-DLBZAZTESA-N 2 0 337.464 -0.067 20 0 EBADRP O=C(CN1CC[NH2+]CC1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000638405626 380459823 /nfs/dbraw/zinc/45/98/23/380459823.db2.gz DYRMNHUPPQIBIG-QGZVFWFLSA-N 2 0 332.448 -0.225 20 0 EBADRP Cn1cc(N2CC[C@H](N3CCC[C@H](n4cc(C[NH3+])nn4)C3)C2=O)cn1 ZINC000566300548 380461682 /nfs/dbraw/zinc/46/16/82/380461682.db2.gz MSURGGSEKMCCBB-ZFWWWQNUSA-N 2 0 344.423 -0.087 20 0 EBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000340354272 380470817 /nfs/dbraw/zinc/47/08/17/380470817.db2.gz JIRPEDJIRPEZHA-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000340356486 380472132 /nfs/dbraw/zinc/47/21/32/380472132.db2.gz VTXOLEPKDXLOKI-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000340354618 380472807 /nfs/dbraw/zinc/47/28/07/380472807.db2.gz LRQIVLNCZFRWJC-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP CC[NH+](CC)CCOCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566511730 380479854 /nfs/dbraw/zinc/47/98/54/380479854.db2.gz AWGAKHNUJHBOFK-KGLIPLIRSA-N 2 0 341.456 -0.702 20 0 EBADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000567645101 380533722 /nfs/dbraw/zinc/53/37/22/380533722.db2.gz IZPYHWUEOBPTOB-AWEZNQCLSA-N 3 0 327.473 -0.851 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000340551655 380538155 /nfs/dbraw/zinc/53/81/55/380538155.db2.gz WOABNWPDFFDHNT-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000340576243 380551314 /nfs/dbraw/zinc/55/13/14/380551314.db2.gz JDNCWJCJRHURBG-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000568077625 380572869 /nfs/dbraw/zinc/57/28/69/380572869.db2.gz GNVAMWCNYUNONE-AWEZNQCLSA-N 2 0 338.452 -0.434 20 0 EBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@H](CO)C[NH+]2CCCCC2)CC1=O ZINC000340822963 380638783 /nfs/dbraw/zinc/63/87/83/380638783.db2.gz MVBDPDIUUKSJEH-CABCVRRESA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000568492049 380604230 /nfs/dbraw/zinc/60/42/30/380604230.db2.gz AFULYESVXTXWPX-MQYQWHSLSA-N 2 0 338.452 -0.089 20 0 EBADRP CSCC[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000569004010 380625593 /nfs/dbraw/zinc/62/55/93/380625593.db2.gz XSFALMDPPCZVIJ-LBPRGKRZSA-N 2 0 346.478 -0.058 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NCCN1CCOC[C@@H]1C)C[NH+]1CCCC1 ZINC000340768626 380626250 /nfs/dbraw/zinc/62/62/50/380626250.db2.gz FMVAADKTRXBMME-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)C[C@@]1(C(=O)NC[C@@H]([NH3+])C(C)C)CC[NH2+]C1 ZINC000573207902 380664022 /nfs/dbraw/zinc/66/40/22/380664022.db2.gz ROWXMCHESDXWIH-CPUCHLNUSA-N 3 0 341.500 -0.445 20 0 EBADRP CC[NH+](CC)CCSCC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000573386835 380671464 /nfs/dbraw/zinc/67/14/64/380671464.db2.gz QJUWFUKTMMYDKU-STQMWFEESA-N 2 0 328.482 -0.168 20 0 EBADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000573565008 380678612 /nfs/dbraw/zinc/67/86/12/380678612.db2.gz PSRCLMHPTUSRND-MFKMUULPSA-N 2 0 326.422 -0.140 20 0 EBADRP CN1CCN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)[C@H](C[NH3+])C1 ZINC000573711501 380685019 /nfs/dbraw/zinc/68/50/19/380685019.db2.gz CKADFOIFUVUCCE-OAHLLOKOSA-N 2 0 337.468 -0.826 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)Nc2ccc3nccn3c2)CCN1CCO ZINC000573753813 380686380 /nfs/dbraw/zinc/68/63/80/380686380.db2.gz UHXVJGHEWJVVSN-LBPRGKRZSA-N 2 0 331.376 -0.202 20 0 EBADRP [NH3+]C1(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)CC[NH+](Cc2ccccc2)CC1 ZINC000573804560 380687211 /nfs/dbraw/zinc/68/72/11/380687211.db2.gz ONVCUSYVSCPITH-JKSUJKDBSA-N 2 0 332.448 -0.181 20 0 EBADRP O=C(CCOC1C[NH2+]C1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000573916209 380691948 /nfs/dbraw/zinc/69/19/48/380691948.db2.gz LUOPATQENNBQBN-ZFWWWQNUSA-N 2 0 338.452 -0.528 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@@]1(C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC[NH2+]C1 ZINC000638767593 380700058 /nfs/dbraw/zinc/70/00/58/380700058.db2.gz HKQMIGVBWYPMJI-REVBEMBVSA-N 3 0 337.468 -0.911 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000574181896 380704042 /nfs/dbraw/zinc/70/40/42/380704042.db2.gz ZPYVIZZKVLCLAQ-UHFFFAOYSA-N 3 0 339.484 -0.636 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](CCOC)C1 ZINC000342046406 380754348 /nfs/dbraw/zinc/75/43/48/380754348.db2.gz VPDQURNCYZXXJS-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638784937 380757485 /nfs/dbraw/zinc/75/74/85/380757485.db2.gz YCFKNFWEDAKSKF-HOCLYGCPSA-N 2 0 340.468 -0.297 20 0 EBADRP COCC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000576242216 380763999 /nfs/dbraw/zinc/76/39/99/380763999.db2.gz RLXIFZPJTDVJDC-ZIAGYGMSSA-N 2 0 339.440 -0.949 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)CC[NH+](C)C1CC1 ZINC000341531675 380714557 /nfs/dbraw/zinc/71/45/57/380714557.db2.gz LUTBKZAZRXUBIW-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000341551020 380717883 /nfs/dbraw/zinc/71/78/83/380717883.db2.gz RGCUUIGBRXWYJQ-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000576992167 380793776 /nfs/dbraw/zinc/79/37/76/380793776.db2.gz GNCXYWBZQAPZSX-LLVKDONJSA-N 2 0 326.422 -0.138 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000416863913 380794354 /nfs/dbraw/zinc/79/43/54/380794354.db2.gz HLOGUNVTRQOJRC-HNNXBMFYSA-N 2 0 327.473 -0.452 20 0 EBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000580645100 380806550 /nfs/dbraw/zinc/80/65/50/380806550.db2.gz SYTPVHQXNMNFTR-GJZGRUSLSA-N 2 0 340.468 -0.546 20 0 EBADRP OC[C@H]1CC[N@H+](CCCCC[NH+]2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O ZINC000577321084 380818012 /nfs/dbraw/zinc/81/80/12/380818012.db2.gz OUEXHSLVGDXSDM-YYIAUSFCSA-N 2 0 330.469 -0.493 20 0 EBADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCN(S(C)(=O)=O)C2)CC[NH2+]CC1 ZINC000578365894 380926264 /nfs/dbraw/zinc/92/62/64/380926264.db2.gz GFFKPXORMVZGOI-OLZOCXBDSA-N 2 0 347.481 -0.069 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000417432140 380887046 /nfs/dbraw/zinc/88/70/46/380887046.db2.gz SHHYYVKUYCWQPQ-UONOGXRCSA-N 2 0 325.457 -0.020 20 0 EBADRP C[C@@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000578741626 380951637 /nfs/dbraw/zinc/95/16/37/380951637.db2.gz PAIGOAXCIJFUQS-KBPBESRZSA-N 2 0 325.457 -0.162 20 0 EBADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000579973717 381028845 /nfs/dbraw/zinc/02/88/45/381028845.db2.gz IJIGIRROCWFPOZ-RDBSUJKOSA-N 2 0 325.457 -0.084 20 0 EBADRP Cn1cnc2c1c(=O)n(CCC[NH+]1CCC(CC[NH3+])CC1)c(=O)n2C ZINC000582790686 381074093 /nfs/dbraw/zinc/07/40/93/381074093.db2.gz ACOGFHQMKFSPRY-UHFFFAOYSA-N 2 0 348.451 -0.115 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418307346 381034438 /nfs/dbraw/zinc/03/44/38/381034438.db2.gz SLTPLQPFTSLRLD-OAHLLOKOSA-N 2 0 327.473 -0.356 20 0 EBADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](O)CN2CCOCC2)CC1 ZINC000581543403 381083105 /nfs/dbraw/zinc/08/31/05/381083105.db2.gz FDWALIMHRMFTOI-DLBZAZTESA-N 2 0 328.501 -0.457 20 0 EBADRP CCC[N@H+](CCn1cnc2c1c(=O)n(C)c(=O)n2C)C1CC[NH2+]CC1 ZINC000346593031 381088343 /nfs/dbraw/zinc/08/83/43/381088343.db2.gz MOJIOZQEBGBGAT-UHFFFAOYSA-N 2 0 348.451 -0.102 20 0 EBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000642431203 381091529 /nfs/dbraw/zinc/09/15/29/381091529.db2.gz WEVRVVXQKPNIPE-KFWWJZLASA-N 2 0 340.468 -0.058 20 0 EBADRP Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)C[C@@H]2COCC[NH2+]2)cn1 ZINC000583083521 381097394 /nfs/dbraw/zinc/09/73/94/381097394.db2.gz RZGOOXYIMGLJTK-ZNMIVQPWSA-N 2 0 339.415 -0.173 20 0 EBADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000582834540 381078947 /nfs/dbraw/zinc/07/89/47/381078947.db2.gz NFDASTIBVBNYQH-MRXNPFEDSA-N 2 0 347.463 -0.110 20 0 EBADRP C[C@@H]1CN(CCC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000583748371 381132269 /nfs/dbraw/zinc/13/22/69/381132269.db2.gz ZTYFPLKGQTZUSI-BBWFWOEESA-N 2 0 328.501 -0.316 20 0 EBADRP C[C@@H]1CN(CCC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000583748373 381132368 /nfs/dbraw/zinc/13/23/68/381132368.db2.gz ZTYFPLKGQTZUSI-IXDOHACOSA-N 2 0 328.501 -0.316 20 0 EBADRP C[C@@H]1CN(CCC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000583748372 381132735 /nfs/dbraw/zinc/13/27/35/381132735.db2.gz ZTYFPLKGQTZUSI-BRWVUGGUSA-N 2 0 328.501 -0.316 20 0 EBADRP O=C(C[NH+]1[C@@H](CO)CC[C@@H]1CO)N1CCN(Cc2ccco2)CC1 ZINC000347314622 381207275 /nfs/dbraw/zinc/20/72/75/381207275.db2.gz QXHRJLOIXZOZMY-HUUCEWRRSA-N 2 0 337.420 -0.259 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000584781836 381209676 /nfs/dbraw/zinc/20/96/76/381209676.db2.gz SUYNCQDHSPQUEL-KBPBESRZSA-N 2 0 340.468 -0.201 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H](CC[NH3+])C(F)F)CC1 ZINC000418727470 381258801 /nfs/dbraw/zinc/25/88/01/381258801.db2.gz FGEZZWHVFFQCDU-RYUDHWBXSA-N 2 0 347.410 -0.083 20 0 EBADRP OC[C@@H]1CSCC[NH+]1CCOCC[N@H+]1CCSC[C@@H]1CO ZINC000347494769 381225046 /nfs/dbraw/zinc/22/50/46/381225046.db2.gz XLTFEYLTXFUELM-OKILXGFUSA-N 2 0 336.523 -0.178 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000633141411 381241178 /nfs/dbraw/zinc/24/11/78/381241178.db2.gz JZTPUUJOTRQKPT-OLZOCXBDSA-N 2 0 326.441 -0.496 20 0 EBADRP Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)[NH+](C)C)cc1 ZINC000418825691 381287078 /nfs/dbraw/zinc/28/70/78/381287078.db2.gz UMQHIWQJBATPOX-HZPDHXFCSA-N 2 0 348.447 -0.181 20 0 EBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000347958499 381293565 /nfs/dbraw/zinc/29/35/65/381293565.db2.gz FXCCZIJVCDNMQR-CQSZACIVSA-N 2 0 327.473 -0.851 20 0 EBADRP C[C@H]1[C@H](NC(=O)C(=O)N2CCC([NH+](C)CCO)CC2)CCC[N@@H+]1C ZINC000347797557 381274067 /nfs/dbraw/zinc/27/40/67/381274067.db2.gz ZAQWHHUXRLSVJG-DZGCQCFKSA-N 2 0 340.468 -0.500 20 0 EBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000347979554 381321488 /nfs/dbraw/zinc/32/14/88/381321488.db2.gz VOEVNTWCNAABTP-HNNXBMFYSA-N 2 0 339.484 -0.707 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000418926566 381342465 /nfs/dbraw/zinc/34/24/65/381342465.db2.gz RRQLWSDXQGEJLX-ZIAGYGMSSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@@H](NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)C(C)(C)C[NH+](C)C ZINC000348006647 381309807 /nfs/dbraw/zinc/30/98/07/381309807.db2.gz JCOCONOYDXBQGA-KGLIPLIRSA-N 2 0 341.500 -0.559 20 0 EBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000418916224 381346235 /nfs/dbraw/zinc/34/62/35/381346235.db2.gz GZJWSEWEVUNQGI-KGLIPLIRSA-N 2 0 326.441 -0.720 20 0 EBADRP C[C@H]1CCC[C@@](CNC(=O)C(=O)N(CC[NH3+])CCO)([NH+](C)C)C1 ZINC000418913598 381346440 /nfs/dbraw/zinc/34/64/40/381346440.db2.gz GMBXZJOOVIIQTJ-XJKSGUPXSA-N 2 0 328.457 -0.607 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[N@H+](C)Cc1ccccc1 ZINC000418953800 381350370 /nfs/dbraw/zinc/35/03/70/381350370.db2.gz VPHFCUYSYBTOND-HOCLYGCPSA-N 2 0 348.447 -0.272 20 0 EBADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)c1 ZINC000419023412 381355795 /nfs/dbraw/zinc/35/57/95/381355795.db2.gz MJMHTYHHERWEMJ-INIZCTEOSA-N 2 0 348.447 -0.059 20 0 EBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419022791 381356394 /nfs/dbraw/zinc/35/63/94/381356394.db2.gz IRGQRLJTOLPGNU-RBSFLKMASA-N 2 0 340.468 -0.201 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000419043368 381365063 /nfs/dbraw/zinc/36/50/63/381365063.db2.gz JGBSWQZTSYUECO-CQSZACIVSA-N 2 0 342.484 -0.035 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000418911238 381343055 /nfs/dbraw/zinc/34/30/55/381343055.db2.gz CKWSAUXPDJFVSO-PBHICJAKSA-N 2 0 342.484 -0.035 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)C[N@@H+]1C1CC1 ZINC000419321823 381417483 /nfs/dbraw/zinc/41/74/83/381417483.db2.gz ROYIJRHPTJWWJD-OWTLIXCDSA-N 2 0 338.452 -0.043 20 0 EBADRP CC(C)[C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[NH+]1CCCCCC1 ZINC000419128113 381388885 /nfs/dbraw/zinc/38/88/85/381388885.db2.gz VCYJTPZIUGMIMB-OAHLLOKOSA-N 2 0 342.484 -0.217 20 0 EBADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N(CC[NH3+])CCO)CC1 ZINC000419153899 381397628 /nfs/dbraw/zinc/39/76/28/381397628.db2.gz PJGMUVAEHVCKBF-UHFFFAOYSA-N 2 0 342.484 -0.360 20 0 EBADRP CO[C@@H]1CCN(C(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)[C@H](C[NH3+])C1 ZINC000419225872 381402255 /nfs/dbraw/zinc/40/22/55/381402255.db2.gz PSYQRSSOUWSYLL-LSDHHAIUSA-N 2 0 338.452 -0.281 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000419537769 381450516 /nfs/dbraw/zinc/45/05/16/381450516.db2.gz NUYSFACAWSETQS-UHFFFAOYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419413991 381430827 /nfs/dbraw/zinc/43/08/27/381430827.db2.gz DRNVPKUBQHECNX-KGLIPLIRSA-N 2 0 326.441 -0.447 20 0 EBADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)[C@@H](C[NH3+])C1 ZINC000419419944 381433388 /nfs/dbraw/zinc/43/33/88/381433388.db2.gz JKRAVPDVVHIJBE-RBSFLKMASA-N 2 0 340.468 -0.058 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000419451556 381441355 /nfs/dbraw/zinc/44/13/55/381441355.db2.gz NOGBWSMLWSAWDB-UONOGXRCSA-N 2 0 328.457 -0.343 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2C[C@@H](C)[NH+](CCO)C[C@H]2C)C1 ZINC000419463689 381441996 /nfs/dbraw/zinc/44/19/96/381441996.db2.gz NOZIRFPHDPRQMW-KFWWJZLASA-N 2 0 328.457 -0.196 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000419452949 381442192 /nfs/dbraw/zinc/44/21/92/381442192.db2.gz QOEMHNGBCMXZFO-KBPBESRZSA-N 2 0 328.457 -0.486 20 0 EBADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000419488055 381445304 /nfs/dbraw/zinc/44/53/04/381445304.db2.gz ZVYJANPMWHNGNT-LSDHHAIUSA-N 2 0 340.468 -0.057 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)[C@@H](C)C[NH2+]1 ZINC000419480561 381446493 /nfs/dbraw/zinc/44/64/93/381446493.db2.gz NRXKCKPNJWLGBD-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419535663 381451313 /nfs/dbraw/zinc/45/13/13/381451313.db2.gz LMCKKYZWXPHEQE-QLFBSQMISA-N 2 0 338.452 -0.434 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000419533785 381449276 /nfs/dbraw/zinc/44/92/76/381449276.db2.gz JBJNVDQSJWVKOF-KGLIPLIRSA-N 2 0 328.457 -0.297 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419535659 381450054 /nfs/dbraw/zinc/45/00/54/381450054.db2.gz LMCKKYZWXPHEQE-ILXRZTDVSA-N 2 0 338.452 -0.434 20 0 EBADRP CN(CC[NH3+])C(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419696439 381473313 /nfs/dbraw/zinc/47/33/13/381473313.db2.gz VGAYGCAXUHPOMJ-UHFFFAOYSA-N 2 0 328.482 -0.119 20 0 EBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419700567 381475421 /nfs/dbraw/zinc/47/54/21/381475421.db2.gz XQRSXOVBJDQRPM-CQSZACIVSA-N 2 0 337.468 -0.859 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)C1CCCC1 ZINC000419698200 381475936 /nfs/dbraw/zinc/47/59/36/381475936.db2.gz SGIHMOXAFNBVAH-CQSZACIVSA-N 2 0 326.441 -0.447 20 0 EBADRP C[C@@H](CCNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[NH+]1CCCCC1 ZINC000419712662 381477304 /nfs/dbraw/zinc/47/73/04/381477304.db2.gz LSHGTJZJYFEDOT-GJZGRUSLSA-N 2 0 340.468 -0.057 20 0 EBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)C[N@@H+]1Cc1ccccc1 ZINC000419714739 381477502 /nfs/dbraw/zinc/47/75/02/381477502.db2.gz XZFJRTXKVMSDLN-GDBMZVCRSA-N 2 0 348.447 -0.455 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000419548263 381453264 /nfs/dbraw/zinc/45/32/64/381453264.db2.gz SRGXJLPKJAKNSL-RBSFLKMASA-N 2 0 340.468 -0.153 20 0 EBADRP C[NH2+]CCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419867071 381513973 /nfs/dbraw/zinc/51/39/73/381513973.db2.gz CEUQEAJSXOGILU-IYBDPMFKSA-N 2 0 330.432 -0.088 20 0 EBADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419870027 381515054 /nfs/dbraw/zinc/51/50/54/381515054.db2.gz NYGVUBUYKMBZKL-GJZGRUSLSA-N 2 0 339.484 -0.613 20 0 EBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000419761469 381487876 /nfs/dbraw/zinc/48/78/76/381487876.db2.gz NEWVSWDUBCPAOR-HNNXBMFYSA-N 2 0 340.468 -0.593 20 0 EBADRP C[C@H]1C[NH+](CCC2CCN(C(=O)C(=O)NCC[NH3+])CC2)C[C@H](C)O1 ZINC000419832093 381499231 /nfs/dbraw/zinc/49/92/31/381499231.db2.gz IZMPBIAVGKKADW-KBPBESRZSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCCC[NH3+])CC1 ZINC000419827709 381499373 /nfs/dbraw/zinc/49/93/73/381499373.db2.gz BPXDUWHOSONSOL-GJZGRUSLSA-N 2 0 339.484 -0.532 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)C[NH+]1CCN(C)CC1 ZINC000419836282 381501259 /nfs/dbraw/zinc/50/12/59/381501259.db2.gz VOASWFHDECQNNR-AWEZNQCLSA-N 2 0 339.484 -0.804 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000420155683 381551351 /nfs/dbraw/zinc/55/13/51/381551351.db2.gz LGRRKJFVADAMTB-MGPQQGTHSA-N 2 0 328.457 -0.284 20 0 EBADRP CCOCCN1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419973705 381524186 /nfs/dbraw/zinc/52/41/86/381524186.db2.gz IBDILQGBVWZTTM-HNNXBMFYSA-N 2 0 340.468 -0.327 20 0 EBADRP C[C@@H]1CC[C@H](C(N)=O)C[NH+]1C[C@@H](O)C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000245912619 381573972 /nfs/dbraw/zinc/57/39/72/381573972.db2.gz FYQKXTPEBJJCHD-AZOBVAEKSA-N 2 0 340.468 -0.481 20 0 EBADRP CC(=O)N1CCN(CCNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000350915594 381577094 /nfs/dbraw/zinc/57/70/94/381577094.db2.gz ACXMLDJNPMUNMA-HNNXBMFYSA-N 2 0 326.441 -0.624 20 0 EBADRP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420347966 381582060 /nfs/dbraw/zinc/58/20/60/381582060.db2.gz ZZKMBWFBNFBRRH-SDDRHHMPSA-N 2 0 349.435 -0.831 20 0 EBADRP Cn1cnc2c1c(=O)n(CCC[NH2+][C@H]1CC[NH2+]CC1(C)C)c(=O)n2C ZINC000420374041 381582495 /nfs/dbraw/zinc/58/24/95/381582495.db2.gz ZXNLAFYIOYYEOZ-LBPRGKRZSA-N 2 0 348.451 -0.199 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000420160250 381553588 /nfs/dbraw/zinc/55/35/88/381553588.db2.gz TWZXWNDPRUKKDT-CYBMUJFWSA-N 2 0 349.435 -0.147 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000420182386 381564238 /nfs/dbraw/zinc/56/42/38/381564238.db2.gz JPVJZMOHANPJPV-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CCO1 ZINC000643483373 381610035 /nfs/dbraw/zinc/61/00/35/381610035.db2.gz YWMNIBVNDJLCQC-ZFWWWQNUSA-N 2 0 338.452 -0.352 20 0 EBADRP C[NH+](C[C@H](O)CN1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1)C1CC1 ZINC000351332476 381619876 /nfs/dbraw/zinc/61/98/76/381619876.db2.gz ACIMXZIAWIADMX-ROUUACIJSA-N 2 0 340.512 -0.486 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000572111615 381640515 /nfs/dbraw/zinc/64/05/15/381640515.db2.gz MPHCNUWVJMCSAG-GJZGRUSLSA-N 3 0 339.484 -0.994 20 0 EBADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000572258125 381654608 /nfs/dbraw/zinc/65/46/08/381654608.db2.gz KJHHARLWWAHRHC-MRXNPFEDSA-N 2 0 330.432 -0.150 20 0 EBADRP CC[NH+](CC)CCOCCNC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000351894047 381705455 /nfs/dbraw/zinc/70/54/55/381705455.db2.gz YGLWXYKHHDLSTM-OAHLLOKOSA-N 2 0 329.489 -0.110 20 0 EBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000580421480 381753953 /nfs/dbraw/zinc/75/39/53/381753953.db2.gz JYUHWICDYHJTBG-QLFBSQMISA-N 2 0 339.484 -0.676 20 0 EBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000332518228 381803039 /nfs/dbraw/zinc/80/30/39/381803039.db2.gz IPLWRTQZQHKESG-CQSZACIVSA-N 2 0 338.452 -0.623 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612874219 381874596 /nfs/dbraw/zinc/87/45/96/381874596.db2.gz CEUSGMAXZYVRSC-CZUORRHYSA-N 2 0 325.457 -0.020 20 0 EBADRP [NH3+]CCOc1ccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000626900107 381926133 /nfs/dbraw/zinc/92/61/33/381926133.db2.gz WZYQKDWVLPBBRQ-CYBMUJFWSA-N 2 0 336.392 -0.855 20 0 EBADRP CC[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC[C@H]1[NH3+] ZINC000643509780 381928563 /nfs/dbraw/zinc/92/85/63/381928563.db2.gz SPRKBGOXTSMCCJ-HUUCEWRRSA-N 3 0 341.500 -0.476 20 0 EBADRP CC(C)[C@@H](CNC(=O)N(C)CCOCC[NH3+])[NH+]1CCN(C)CC1 ZINC000626929330 381956176 /nfs/dbraw/zinc/95/61/76/381956176.db2.gz KTBXFHQAWQJVEV-OAHLLOKOSA-N 2 0 329.489 -0.125 20 0 EBADRP CN1CCN(C(=O)CCNC(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000333944641 381972131 /nfs/dbraw/zinc/97/21/31/381972131.db2.gz SDWAOOYIRHTZNH-UHFFFAOYSA-N 2 0 325.457 -0.161 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)NCCOCCC[NH3+])CCCCC1 ZINC000627397759 381936647 /nfs/dbraw/zinc/93/66/47/381936647.db2.gz VISFVIBKLFDPIV-UHFFFAOYSA-N 2 0 328.457 -0.151 20 0 EBADRP CN(CCC[NH+](C)C)CCNC(=O)Cn1nc2ccccn2c1=O ZINC000617766184 381972474 /nfs/dbraw/zinc/97/24/74/381972474.db2.gz BANIIAKSQBYGBA-UHFFFAOYSA-N 2 0 334.424 -0.504 20 0 EBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)C1 ZINC000643513564 381995344 /nfs/dbraw/zinc/99/53/44/381995344.db2.gz OVYZGVWWXBXWKX-LSDHHAIUSA-N 2 0 337.468 -0.826 20 0 EBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000643532481 382048134 /nfs/dbraw/zinc/04/81/34/382048134.db2.gz IPLHPTWMNPPKIK-XUWVNRHRSA-N 2 0 334.464 -0.003 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000353463707 382150102 /nfs/dbraw/zinc/15/01/02/382150102.db2.gz WMLJAFZCOZDSAC-KBPBESRZSA-N 2 0 336.440 -0.113 20 0 EBADRP CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000629539487 382213400 /nfs/dbraw/zinc/21/34/00/382213400.db2.gz QYBQKLDXFDMPIT-GFCCVEGCSA-N 2 0 335.412 -0.296 20 0 EBADRP CCN(C(=O)[C@H](C)N(C)CCOCC[NH2+]C)[C@H]1CCS(=O)(=O)C1 ZINC000629569573 382231297 /nfs/dbraw/zinc/23/12/97/382231297.db2.gz QGCDUJWLVDNEBO-KBPBESRZSA-N 2 0 349.497 -0.422 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH+](C)[C@@H]1C ZINC000341529261 285019444 /nfs/dbraw/zinc/01/94/44/285019444.db2.gz VTJRKZUKDRQYEM-RBSFLKMASA-N 2 0 340.468 -0.188 20 0 EBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC[NH+](C)CCOC)[C@H](C)C1 ZINC000358553468 285365069 /nfs/dbraw/zinc/36/50/69/285365069.db2.gz BHRFOTHRLFYWLL-HUUCEWRRSA-N 2 0 342.484 -0.131 20 0 EBADRP CO[C@H]1C[C@@H](C(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)[N@H+](C)C1 ZINC000329024606 155200203 /nfs/dbraw/zinc/20/02/03/155200203.db2.gz NJEATEJXLSMCNZ-KKUMJFAQSA-N 2 0 338.452 -0.530 20 0 EBADRP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)N2CCN(C)CC2)C1 ZINC000330632170 155293886 /nfs/dbraw/zinc/29/38/86/155293886.db2.gz QOJHIODBNVBKIH-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000106582955 154088920 /nfs/dbraw/zinc/08/89/20/154088920.db2.gz OMUSZQHOTGWNLR-OAHLLOKOSA-N 2 0 329.489 -0.158 20 0 EBADRP CNC(=O)CC[N@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000170792654 154093046 /nfs/dbraw/zinc/09/30/46/154093046.db2.gz MKNXHNFHPQKASV-AWEZNQCLSA-N 2 0 328.457 -0.473 20 0 EBADRP Cn1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(=O)n(C)c1=O ZINC000180116624 154128023 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JEKDUPIOTNKZEX-XQQFMLRXSA-N 2 0 339.440 -0.589 20 0 EBADRP O=C(NC[C@@H]1CCC[N@H+](CCN2C(=O)CCC2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000261718814 154197838 /nfs/dbraw/zinc/19/78/38/154197838.db2.gz QKWRCWLMWUTFSK-KBPBESRZSA-N 2 0 336.436 -0.284 20 0 EBADRP CCS(=O)(=O)NCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261817702 154201648 /nfs/dbraw/zinc/20/16/48/154201648.db2.gz KACPHYDZCZPXNB-ZIAGYGMSSA-N 2 0 346.497 -0.494 20 0 EBADRP C[C@H](CNC(=O)C[C@@]1(C(=O)NC[C@@H](C)[NH+](C)C)CC[NH2+]C1)[NH+](C)C ZINC000262047472 154210405 /nfs/dbraw/zinc/21/04/05/154210405.db2.gz URHGMIQRIJWZCK-CPUCHLNUSA-N 3 0 341.500 -0.511 20 0 EBADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)CNC(=O)C[NH3+])cc1 ZINC000262389175 154228043 /nfs/dbraw/zinc/22/80/43/154228043.db2.gz LVEMVXWVUSZIDK-UHFFFAOYSA-N 2 0 349.435 -0.228 20 0 EBADRP C[C@H]1C[C@@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC[NH2+]1 ZINC000262374806 154229001 /nfs/dbraw/zinc/22/90/01/154229001.db2.gz KLUXCJGUBUPBJE-STQMWFEESA-N 2 0 336.440 -0.113 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CCO1 ZINC000274769250 154622964 /nfs/dbraw/zinc/62/29/64/154622964.db2.gz JLESVEBYZLWNNB-HNNXBMFYSA-N 2 0 333.436 -0.220 20 0 EBADRP C[NH+](C)C1CN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000342129584 156009605 /nfs/dbraw/zinc/00/96/05/156009605.db2.gz NRTNQNFXFBABLJ-HNNXBMFYSA-N 2 0 338.452 -0.528 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCC[NH+](C)C2CC2)C[C@H](C)O1 ZINC000343292026 156118512 /nfs/dbraw/zinc/11/85/12/156118512.db2.gz DALSHSMHJOXDMQ-OKILXGFUSA-N 2 0 340.468 -0.188 20 0 EBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000343300331 156121593 /nfs/dbraw/zinc/12/15/93/156121593.db2.gz IDYCGLXWPLGZQY-UHFFFAOYSA-N 2 0 339.484 -0.707 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)C1 ZINC000343887845 156177610 /nfs/dbraw/zinc/17/76/10/156177610.db2.gz KEASMFWOBHEFCX-KBPBESRZSA-N 2 0 326.441 -0.624 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000345521868 156340199 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COCC[N@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000358571471 157263108 /nfs/dbraw/zinc/26/31/08/157263108.db2.gz OVBMDUNYHBELER-KBPBESRZSA-N 2 0 328.457 -0.521 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)N(C)[C@H](C)CN1CCOCC1)C1CC1 ZINC000359263761 157307814 /nfs/dbraw/zinc/30/78/14/157307814.db2.gz OJIXUJDXYVKOKW-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000359369189 157315773 /nfs/dbraw/zinc/31/57/73/157315773.db2.gz HCNJQZABZSAOCD-UHFFFAOYSA-N 2 0 342.484 -0.083 20 0 EBADRP C[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)N1CC[NH+](C)CC1 ZINC000360225743 157366679 /nfs/dbraw/zinc/36/66/79/157366679.db2.gz RZRHRYOSDIKUGH-HUUCEWRRSA-N 2 0 339.484 -0.851 20 0 EBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000360272568 157370533 /nfs/dbraw/zinc/37/05/33/157370533.db2.gz OHOSNNWXWQZJIU-CQSZACIVSA-N 2 0 328.457 -0.519 20 0 EBADRP CN(C(=O)C(=O)NCCOCC[NH+](C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000360280586 157371823 /nfs/dbraw/zinc/37/18/23/157371823.db2.gz XANXWZWOYNFURM-CQSZACIVSA-N 2 0 326.441 -0.624 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CCSC1 ZINC000419583472 419017035 /nfs/dbraw/zinc/01/70/35/419017035.db2.gz LDZDOEAHIJTUQI-XUJVJEKNSA-N 2 0 328.482 -0.074 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000410502935 419035488 /nfs/dbraw/zinc/03/54/88/419035488.db2.gz KUJQCNAKHMUBDR-QGZVFWFLSA-N 2 0 340.468 -0.423 20 0 EBADRP CCCN(C(=O)C(=O)NCCOCC[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000647056690 418980093 /nfs/dbraw/zinc/98/00/93/418980093.db2.gz MALAYWZMXVRBIM-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653115397 418989099 /nfs/dbraw/zinc/98/90/99/418989099.db2.gz NRPJDRDJOIGFIN-ZQIUZPCESA-N 2 0 338.452 -0.719 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000647556064 419114460 /nfs/dbraw/zinc/11/44/60/419114460.db2.gz NNELSBLKMDRAQF-UHFFFAOYSA-N 2 0 340.468 -0.280 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)cn1 ZINC000655448916 419055631 /nfs/dbraw/zinc/05/56/31/419055631.db2.gz ABMPNXOVVXNTDW-RHSMWYFYSA-N 2 0 348.451 -0.111 20 0 EBADRP C[C@@H]1CN(C[C@H](O)C[NH2+]CCCN2C(=O)CCC2=O)C[C@H](C)O1 ZINC000644547878 419169050 /nfs/dbraw/zinc/16/90/50/419169050.db2.gz DQCHYBSOMBSHEV-HZSPNIEDSA-N 2 0 327.425 -0.415 20 0 EBADRP CCN1C[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1=O ZINC000651317632 419187216 /nfs/dbraw/zinc/18/72/16/419187216.db2.gz PAARQONYYSMTSS-CQSZACIVSA-N 2 0 327.473 -0.010 20 0 EBADRP C[NH+](C)Cc1ccc(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)cc1 ZINC000516769093 419194098 /nfs/dbraw/zinc/19/40/98/419194098.db2.gz PPYDXOQMNHLLEZ-UHFFFAOYSA-N 2 0 340.449 -0.542 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C[C@H]1C[NH3+] ZINC000652681578 419251172 /nfs/dbraw/zinc/25/11/72/419251172.db2.gz NRZJGXGVVRIJQU-RGCMKSIDSA-N 2 0 338.452 -0.450 20 0 EBADRP C[C@H](CNC(=O)NCC[N@@H+]1CCCOCC1)C[NH+]1CCN(C)CC1 ZINC000187213488 419251709 /nfs/dbraw/zinc/25/17/09/419251709.db2.gz KIHWAIGZOBTNPE-MRXNPFEDSA-N 2 0 341.500 -0.109 20 0 EBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)C[C@@H]2C[NH2+]CCO2)c1 ZINC000647700609 419213088 /nfs/dbraw/zinc/21/30/88/419213088.db2.gz QHADHPPPRMDMOE-GFCCVEGCSA-N 2 0 342.421 -0.759 20 0 EBADRP C[C@@H](C(=O)NC[C@H]1CN(C(=O)[C@H](C)[NH+](C)C)CCN1C)[NH+](C)C ZINC000652497929 419239503 /nfs/dbraw/zinc/23/95/03/419239503.db2.gz SLYDINRZRVVJFF-IHRRRGAJSA-N 2 0 327.473 -0.855 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000652624070 419241375 /nfs/dbraw/zinc/24/13/75/419241375.db2.gz YUCRQZXTBNFLML-TZMCWYRMSA-N 2 0 334.424 -0.406 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)CCO1 ZINC000652731415 419330938 /nfs/dbraw/zinc/33/09/38/419330938.db2.gz JQJNWEVVNVXJEE-UONOGXRCSA-N 2 0 326.441 -0.495 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)CCO1 ZINC000652731413 419330802 /nfs/dbraw/zinc/33/08/02/419330802.db2.gz JQJNWEVVNVXJEE-KBPBESRZSA-N 2 0 326.441 -0.495 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)C[C@H]1C[NH3+] ZINC000652728861 419323004 /nfs/dbraw/zinc/32/30/04/419323004.db2.gz DVLHGHWKWHKENH-VHDGCEQUSA-N 2 0 338.452 -0.496 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000340213165 419336162 /nfs/dbraw/zinc/33/61/62/419336162.db2.gz NLKNLVQJCYSKKT-OAHLLOKOSA-N 2 0 342.484 -0.129 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652734803 419345305 /nfs/dbraw/zinc/34/53/05/419345305.db2.gz WQUTXHAOBKCWTJ-AWEZNQCLSA-N 2 0 326.441 -0.813 20 0 EBADRP CN(CCC[N@H+](C)Cc1cc(=O)n(C)c(=O)n1C)CC[NH+](C)C ZINC000289504506 419348041 /nfs/dbraw/zinc/34/80/41/419348041.db2.gz ULAKYLIEBCQRKF-UHFFFAOYSA-N 2 0 325.457 -0.601 20 0 EBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000340418337 419356215 /nfs/dbraw/zinc/35/62/15/419356215.db2.gz AJPYFDDTJNXBOK-SWLSCSKDSA-N 2 0 330.498 -0.004 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000653392922 419366861 /nfs/dbraw/zinc/36/68/61/419366861.db2.gz OBNWHAWJVAJCAH-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000340799226 419381892 /nfs/dbraw/zinc/38/18/92/419381892.db2.gz NAEJZWONTCZKKR-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CNC(=O)NCCC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000645398072 419456821 /nfs/dbraw/zinc/45/68/21/419456821.db2.gz GQSUWQJMAWRRIX-CQSZACIVSA-N 2 0 325.457 -0.068 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)CCC[N@@H+]1C ZINC000347760810 419493231 /nfs/dbraw/zinc/49/32/31/419493231.db2.gz LAUNSKVNTIEFCY-MCIONIFRSA-N 2 0 326.441 -0.626 20 0 EBADRP CS(=O)(=O)NCC1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000519156766 419519923 /nfs/dbraw/zinc/51/99/23/419519923.db2.gz LUCIJBDERWEHAJ-UHFFFAOYSA-N 2 0 332.470 -0.931 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H](C)[NH2+]1 ZINC000519381554 419520576 /nfs/dbraw/zinc/52/05/76/419520576.db2.gz WCIMFHXUTVXLJL-OKILXGFUSA-N 3 0 327.473 -0.853 20 0 EBADRP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)C(=O)NCC[NH+](C)C ZINC000520626661 419567842 /nfs/dbraw/zinc/56/78/42/419567842.db2.gz FPDLRUHRNPWAKY-UKRRQHHQSA-N 2 0 340.468 -0.188 20 0 EBADRP CC[NH+]1CCN(CCC(=O)NCCC[NH+]2CCC(O)CC2)CC1 ZINC000519737962 419541503 /nfs/dbraw/zinc/54/15/03/419541503.db2.gz YCRPOHJDQYPEJO-UHFFFAOYSA-N 2 0 326.485 -0.023 20 0 EBADRP C[NH+]1CCN(c2cccc(C(=O)N3CC(N4CC[C@@H](O)C4)C3)n2)CC1 ZINC000652891004 419618568 /nfs/dbraw/zinc/61/85/68/419618568.db2.gz XTCLNYGPQSEPNS-OAHLLOKOSA-N 2 0 345.447 -0.276 20 0 EBADRP C[C@H](NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)[C@@H]1CN(C)CCO1 ZINC000655709895 419623907 /nfs/dbraw/zinc/62/39/07/419623907.db2.gz OKQNVYKWPSYAMJ-XGUBFFRZSA-N 2 0 328.457 -0.198 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC2CCC([NH3+])CC2)CCO1 ZINC000659713341 419781437 /nfs/dbraw/zinc/78/14/37/419781437.db2.gz ICBPSHWTPLGTFV-NRXISQOPSA-N 2 0 340.468 -0.058 20 0 EBADRP C[C@H]1CC[C@@H](C(N)=O)C[NH+]1CC(O)C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000181799877 419781640 /nfs/dbraw/zinc/78/16/40/419781640.db2.gz FYQKXTPEBJJCHD-JZAZDWQXSA-N 2 0 340.468 -0.481 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000659736193 419802640 /nfs/dbraw/zinc/80/26/40/419802640.db2.gz LRGAJAVBHYYHTQ-HIFRSBDPSA-N 2 0 338.452 -0.304 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419875687 419815429 /nfs/dbraw/zinc/81/54/29/419815429.db2.gz WWPNHCYLKFARGA-ZIAGYGMSSA-N 2 0 326.441 -0.591 20 0 EBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000419960550 419821224 /nfs/dbraw/zinc/82/12/24/419821224.db2.gz WILJGMUABYRDFK-KBPBESRZSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C[C@H](C)O1 ZINC000419932308 419826171 /nfs/dbraw/zinc/82/61/71/419826171.db2.gz DOFOIIGIZCADHP-ZNMIVQPWSA-N 2 0 340.468 -0.140 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000420008634 419828204 /nfs/dbraw/zinc/82/82/04/419828204.db2.gz DKJPBZIZRVHEES-UONOGXRCSA-N 2 0 328.457 -0.345 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C[C@H](C)O1 ZINC000420043927 419832191 /nfs/dbraw/zinc/83/21/91/419832191.db2.gz SMQGIJJUKQYGPV-MBNYWOFBSA-N 2 0 326.441 -0.545 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C[C@H](C)[NH2+]1 ZINC000423289868 419933614 /nfs/dbraw/zinc/93/36/14/419933614.db2.gz BUYOAIBAACBDEA-KBPBESRZSA-N 2 0 340.468 -0.236 20 0 EBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000423296596 419933726 /nfs/dbraw/zinc/93/37/26/419933726.db2.gz ZMWJKULURPTZIX-UHFFFAOYSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423215608 419925141 /nfs/dbraw/zinc/92/51/41/419925141.db2.gz QVQLDPZSPCWNLZ-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP CN1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)[C@@H](C[NH3+])C1 ZINC000514824403 419973393 /nfs/dbraw/zinc/97/33/93/419973393.db2.gz LMCORGTVVMCLNA-CABCVRRESA-N 2 0 337.468 -0.779 20 0 EBADRP COC[C@]1(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC[NH2+]C1 ZINC000646009563 420531796 /nfs/dbraw/zinc/53/17/96/420531796.db2.gz STIUFJXLJVBSJR-RDJZCZTQSA-N 2 0 340.468 -0.865 20 0 EBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000439338513 420601990 /nfs/dbraw/zinc/60/19/90/420601990.db2.gz CKLJIQQRFQNDOY-CYBMUJFWSA-N 2 0 336.440 -0.064 20 0 EBADRP Cc1onc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1C ZINC000559795806 420590712 /nfs/dbraw/zinc/59/07/12/420590712.db2.gz HODJTIFTPYEBSB-UHFFFAOYSA-N 2 0 325.413 0.182 20 0 EBADRP C[C@H]1C[C@@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC000529337161 420763296 /nfs/dbraw/zinc/76/32/96/420763296.db2.gz IPOJZTDEPKAFSV-KBPBESRZSA-N 2 0 338.456 -0.521 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529382383 420764522 /nfs/dbraw/zinc/76/45/22/420764522.db2.gz SVECVSZYCVVZRV-AWEZNQCLSA-N 2 0 341.456 -0.830 20 0 EBADRP O=C(NC[C@H]1COCC[NH2+]1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000529374888 420765876 /nfs/dbraw/zinc/76/58/76/420765876.db2.gz OXVMKPUDHOMXDZ-HNNXBMFYSA-N 2 0 326.441 -0.271 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)NC[C@H]3COCC[NH2+]3)CC2)c1 ZINC000529381197 420766033 /nfs/dbraw/zinc/76/60/33/420766033.db2.gz QMPUNFAJRDWHBS-ZDUSSCGKSA-N 2 0 335.408 -0.090 20 0 EBADRP CC[N@H+](CCO)CCNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000187328488 420709193 /nfs/dbraw/zinc/70/91/93/420709193.db2.gz IFIDQTQSQUWLPL-HNNXBMFYSA-N 2 0 329.489 -0.517 20 0 EBADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000521877104 420713420 /nfs/dbraw/zinc/71/34/20/420713420.db2.gz XZTZCJFNXJALMX-AWEZNQCLSA-N 3 0 325.457 -0.872 20 0 EBADRP COCCN(C)C[C@@H](O)C[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000521757589 420713469 /nfs/dbraw/zinc/71/34/69/420713469.db2.gz SNEPTBCFHFNCTR-CQSZACIVSA-N 2 0 337.486 -0.719 20 0 EBADRP CN1CC[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)S1(=O)=O ZINC000648781605 420730546 /nfs/dbraw/zinc/73/05/46/420730546.db2.gz PFQOEBFCNOVWHJ-AWEZNQCLSA-N 2 0 348.513 -0.248 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCO[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000649410462 420807904 /nfs/dbraw/zinc/80/79/04/420807904.db2.gz BYVQQHQTWAZKHR-ARFHVFGLSA-N 2 0 342.484 -0.493 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000654437645 420827470 /nfs/dbraw/zinc/82/74/70/420827470.db2.gz PNNPLVBJUJLGQH-SOUVJXGZSA-N 2 0 326.441 -0.442 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656020715 420866879 /nfs/dbraw/zinc/86/68/79/420866879.db2.gz VOSWZGZNXBBDKJ-CIQGVGRVSA-N 2 0 326.441 -0.546 20 0 EBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656023079 420867482 /nfs/dbraw/zinc/86/74/82/420867482.db2.gz UOBSWKMUQOQOHA-APIJFGDWSA-N 2 0 340.468 -0.141 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656040611 420868285 /nfs/dbraw/zinc/86/82/85/420868285.db2.gz MOOMROJGXDFXLT-ZSAUSMIDSA-N 2 0 340.468 -0.204 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CCCO1 ZINC000656027162 420868505 /nfs/dbraw/zinc/86/85/05/420868505.db2.gz BOMJNGNCUSMUFW-QLFBSQMISA-N 2 0 338.452 -0.304 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656040599 420869248 /nfs/dbraw/zinc/86/92/48/420869248.db2.gz MKJWXYYWXCZIPL-QMIVOQANSA-N 2 0 340.468 -0.191 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656039872 420869567 /nfs/dbraw/zinc/86/95/67/420869567.db2.gz JQSYXPQHGWSYDH-QMIVOQANSA-N 2 0 338.452 -0.722 20 0 EBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656079856 420876368 /nfs/dbraw/zinc/87/63/68/420876368.db2.gz KMACQHFVZDWZJP-SOUVJXGZSA-N 2 0 338.452 -0.936 20 0 EBADRP O=C(NCCCCn1ccnc1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656300766 420885133 /nfs/dbraw/zinc/88/51/33/420885133.db2.gz UBJWQMNDLBBQBN-UONOGXRCSA-N 2 0 335.408 -0.943 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656308990 420887069 /nfs/dbraw/zinc/88/70/69/420887069.db2.gz KFEFDVPHENABSH-SOUVJXGZSA-N 2 0 340.468 -0.330 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000659023815 420987911 /nfs/dbraw/zinc/98/79/11/420987911.db2.gz PLVIOXZZPVFPIT-SNVBAGLBSA-N 2 0 341.378 -0.073 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659681254 421013744 /nfs/dbraw/zinc/01/37/44/421013744.db2.gz ZFLBLUUGWFAJME-AWEZNQCLSA-N 2 0 340.468 -0.153 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000659686833 421014529 /nfs/dbraw/zinc/01/45/29/421014529.db2.gz KQFCPRZNQPYPDH-ZDUSSCGKSA-N 2 0 336.436 -0.033 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])C[NH+]1CCN(C)CC1 ZINC000659710727 421017864 /nfs/dbraw/zinc/01/78/64/421017864.db2.gz SZSGIVZUTBQCJZ-ZDUSSCGKSA-N 2 0 327.473 -0.818 20 0 EBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000659713496 421019208 /nfs/dbraw/zinc/01/92/08/421019208.db2.gz CXIMOGQUOWSZHJ-INIZCTEOSA-N 2 0 345.447 -0.993 20 0 EBADRP CCC([NH3+])(CC)CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659725660 421022740 /nfs/dbraw/zinc/02/27/40/421022740.db2.gz XZMWAWFWWHEGPT-CQSZACIVSA-N 2 0 340.468 -0.010 20 0 EBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)C1 ZINC000659738456 421024008 /nfs/dbraw/zinc/02/40/08/421024008.db2.gz DVHPSNWDQBAUFS-HZSPNIEDSA-N 2 0 326.441 -0.591 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCC2)CCO1 ZINC000659733903 421024048 /nfs/dbraw/zinc/02/40/48/421024048.db2.gz GVEHOMVYDOJZHY-AWEZNQCLSA-N 2 0 340.468 -0.057 20 0 EBADRP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CCCC1 ZINC000659735587 421024104 /nfs/dbraw/zinc/02/41/04/421024104.db2.gz TWSVBTWIZLWITD-AWEZNQCLSA-N 2 0 338.452 -0.256 20 0 EBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659733382 421024195 /nfs/dbraw/zinc/02/41/95/421024195.db2.gz DEZYRSDXKGVRFE-UHFFFAOYSA-N 2 0 339.484 -0.530 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)[C@H](C)C[NH2+]1 ZINC000659738493 421024945 /nfs/dbraw/zinc/02/49/45/421024945.db2.gz FFGLEWOPYJDIFW-NFAWXSAZSA-N 2 0 338.452 -0.435 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH2+]C)C1 ZINC000659750390 421030043 /nfs/dbraw/zinc/03/00/43/421030043.db2.gz NZSQXZSIQFMXFL-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH+]1CCN(c2ccc(CNC(=O)c3cn(CC[NH3+])nn3)cn2)CC1 ZINC000662365291 421085442 /nfs/dbraw/zinc/08/54/42/421085442.db2.gz RKDUAVLGBXBFDE-UHFFFAOYSA-N 2 0 344.423 -0.686 20 0 EBADRP CN(CCC[NH+](C)C)CCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000662632452 421093537 /nfs/dbraw/zinc/09/35/37/421093537.db2.gz QAMQCTLPUPDPEJ-CQSZACIVSA-N 2 0 337.472 -0.357 20 0 EBADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@H]2CCO[C@H]2C[NH3+])cc1 ZINC000662724361 421096818 /nfs/dbraw/zinc/09/68/18/421096818.db2.gz OEIZDFVDNXSFRR-HOTGVXAUSA-N 2 0 348.447 -0.042 20 0 EBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])c1 ZINC000662699217 421097379 /nfs/dbraw/zinc/09/73/79/421097379.db2.gz YAPUCJYNYFFYJS-CVEARBPZSA-N 2 0 348.447 -0.042 20 0 EBADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662755970 421098534 /nfs/dbraw/zinc/09/85/34/421098534.db2.gz FKRZQHBEBDDMLF-UHFFFAOYSA-N 2 0 332.448 -0.225 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662929546 421110734 /nfs/dbraw/zinc/11/07/34/421110734.db2.gz HBSNTQCBIJLDDM-BFHYXJOUSA-N 2 0 344.431 -0.547 20 0 EBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC4CC3(C[NH3+])C4)CC2)C1 ZINC000662932003 421111930 /nfs/dbraw/zinc/11/19/30/421111930.db2.gz LPCMEEOYUMOGMI-SWKXRBFHSA-N 2 0 349.479 -0.826 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CCO1 ZINC000662948731 421115983 /nfs/dbraw/zinc/11/59/83/421115983.db2.gz ZWYDUECUYSUCPP-LSDHHAIUSA-N 2 0 340.468 -0.105 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000662953922 421117441 /nfs/dbraw/zinc/11/74/41/421117441.db2.gz REGBLDDNGXWCCQ-ZNMIVQPWSA-N 2 0 338.452 -0.767 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000662972083 421119663 /nfs/dbraw/zinc/11/96/63/421119663.db2.gz HXVHMUGLYKORNE-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662993430 421121778 /nfs/dbraw/zinc/12/17/78/421121778.db2.gz PNKJTFZIAIRXCI-ZDUSSCGKSA-N 2 0 328.457 -0.249 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CNC2(CO)CC[NH2+]CC2)C1 ZINC000662286867 421083866 /nfs/dbraw/zinc/08/38/66/421083866.db2.gz NJYYLRONRLIFKI-OAHLLOKOSA-N 2 0 342.484 -0.837 20 0 EBADRP CN(CCC[NH+](C)C)CCNC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000664084005 421147903 /nfs/dbraw/zinc/14/79/03/421147903.db2.gz YOQQHGQKSWGUKC-HNNXBMFYSA-N 2 0 328.505 -0.585 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)n1 ZINC000371533130 421191957 /nfs/dbraw/zinc/19/19/57/421191957.db2.gz DNQPVJQZUOORCR-UONOGXRCSA-N 2 0 348.451 -0.064 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000448484716 421192566 /nfs/dbraw/zinc/19/25/66/421192566.db2.gz FVIBDVMKGTXEJX-KBPBESRZSA-N 2 0 348.451 0.126 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)n1 ZINC000433382935 421194865 /nfs/dbraw/zinc/19/48/65/421194865.db2.gz QPVJAXJKZDSTAJ-GFCCVEGCSA-N 2 0 332.412 0.213 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000178929253 264595441 /nfs/dbraw/zinc/59/54/41/264595441.db2.gz LZLQIWHBPVUBQL-ZBFHGGJFSA-N 2 0 330.473 -0.045 20 0 EBADRP C[NH+](C)[C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)c1ccc(F)cc1 ZINC000419416060 264867595 /nfs/dbraw/zinc/86/75/95/264867595.db2.gz VTNQUDZJBMTCNX-CQSZACIVSA-N 2 0 340.399 -0.676 20 0 EBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419869284 264899464 /nfs/dbraw/zinc/89/94/64/264899464.db2.gz MUSUYBXKHFPBKD-HNNXBMFYSA-N 2 0 339.484 -0.659 20 0 EBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000423064673 264983884 /nfs/dbraw/zinc/98/38/84/264983884.db2.gz ZKWZTYWFKVFDPA-KGLIPLIRSA-N 2 0 326.441 -0.495 20 0 EBADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423379828 265000262 /nfs/dbraw/zinc/00/02/62/265000262.db2.gz XUOZHCMIHLQNSQ-AWEZNQCLSA-N 2 0 338.408 -0.644 20 0 EBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423377277 265000795 /nfs/dbraw/zinc/00/07/95/265000795.db2.gz FDLFAJYSXIJYNT-UONOGXRCSA-N 2 0 338.452 -0.352 20 0 EBADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423379829 265001558 /nfs/dbraw/zinc/00/15/58/265001558.db2.gz XUOZHCMIHLQNSQ-CQSZACIVSA-N 2 0 338.408 -0.644 20 0 EBADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423417523 265003413 /nfs/dbraw/zinc/00/34/13/265003413.db2.gz SMZFBIMCPFVIQY-HNNXBMFYSA-N 2 0 340.468 -0.247 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000423431779 265004989 /nfs/dbraw/zinc/00/49/89/265004989.db2.gz AXIPMNRKJGLLEK-GJZGRUSLSA-N 2 0 340.468 -0.105 20 0 EBADRP CCN1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)C[C@H]1c1ncc[nH]1 ZINC000423573381 265014668 /nfs/dbraw/zinc/01/46/68/265014668.db2.gz WGPWYVXPCSJDHD-IHRRRGAJSA-N 2 0 348.451 -0.176 20 0 EBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423696964 265033902 /nfs/dbraw/zinc/03/39/02/265033902.db2.gz YNUZQRHAAIGJCK-GASCZTMLSA-N 2 0 339.484 -0.994 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000423718481 265035966 /nfs/dbraw/zinc/03/59/66/265035966.db2.gz BEMJXKLZTXCYAT-INIZCTEOSA-N 2 0 348.451 -0.129 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000423752823 265042817 /nfs/dbraw/zinc/04/28/17/265042817.db2.gz WSFPIIFGOOPIPQ-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000424155085 265049527 /nfs/dbraw/zinc/04/95/27/265049527.db2.gz NFHONHCFPQOJAT-HUUCEWRRSA-N 2 0 348.451 -0.003 20 0 EBADRP O=C(c1c[nH]nc1[C@H]1CCC[NH2+]C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000424177569 265050708 /nfs/dbraw/zinc/05/07/08/265050708.db2.gz PVRKQWIRPMGJLQ-KBPBESRZSA-N 2 0 332.452 -0.004 20 0 EBADRP O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000424177577 265050911 /nfs/dbraw/zinc/05/09/11/265050911.db2.gz PVRKQWIRPMGJLQ-ZIAGYGMSSA-N 2 0 332.452 -0.004 20 0 EBADRP COCC(C)(C)[NH+]1CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000424218008 265051895 /nfs/dbraw/zinc/05/18/95/265051895.db2.gz PVEGQLDSRUXSRZ-AWEZNQCLSA-N 2 0 328.457 -0.345 20 0 EBADRP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430635721 265149870 /nfs/dbraw/zinc/14/98/70/265149870.db2.gz WCVPXZWCPBKFBT-VXGBXAGGSA-N 2 0 341.456 -0.214 20 0 EBADRP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430643615 265152506 /nfs/dbraw/zinc/15/25/06/265152506.db2.gz XONLJSJPCDFSKP-HZSPNIEDSA-N 2 0 326.441 -0.543 20 0 EBADRP C[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)N1CC[NH2+]CC1 ZINC000430641307 265152583 /nfs/dbraw/zinc/15/25/83/265152583.db2.gz IQYWXHDFYBPINY-UHFFFAOYSA-N 2 0 347.419 -0.522 20 0 EBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433391416 265187579 /nfs/dbraw/zinc/18/75/79/265187579.db2.gz RMNCKCXYRGLKPZ-QWHCGFSZSA-N 2 0 349.439 -0.728 20 0 EBADRP CC[N@H+](CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H]1CCC[NH2+]CC1 ZINC000435622229 265229104 /nfs/dbraw/zinc/22/91/04/265229104.db2.gz CHJRMPBAKPDMQW-CYBMUJFWSA-N 2 0 348.451 -0.102 20 0 EBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000419973013 272816626 /nfs/dbraw/zinc/81/66/26/272816626.db2.gz HDFWFEOKVZICMW-UONOGXRCSA-N 2 0 328.457 -0.473 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000420095405 272819349 /nfs/dbraw/zinc/81/93/49/272819349.db2.gz SKWOSTTWJWFPQC-CQSZACIVSA-N 2 0 340.468 -0.057 20 0 EBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000420210538 272825078 /nfs/dbraw/zinc/82/50/78/272825078.db2.gz HFLVMWOSRLQOOR-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000364333975 278191444 /nfs/dbraw/zinc/19/14/44/278191444.db2.gz CLNOLMYKGBMULY-OWCLPIDISA-N 2 0 339.484 -0.215 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000339398494 289166944 /nfs/dbraw/zinc/16/69/44/289166944.db2.gz AGUMKWRUSCKKHJ-KGLIPLIRSA-N 2 0 326.441 -0.624 20 0 EBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000332347036 289367735 /nfs/dbraw/zinc/36/77/35/289367735.db2.gz AFHJVVOYHCZZJF-GJZGRUSLSA-N 2 0 337.468 -0.955 20 0 EBADRP CN1CC[N@H+](CCCNC(=O)CNC(=O)C[NH3+])[C@@H](c2ccccc2)C1 ZINC000262097976 290042047 /nfs/dbraw/zinc/04/20/47/290042047.db2.gz DWGYULCDVMJQBM-MRXNPFEDSA-N 2 0 347.463 -0.444 20 0 EBADRP C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)[C@@H](C)C[NH2+]1 ZINC000669486536 545879177 /nfs/dbraw/zinc/87/91/77/545879177.db2.gz UQAIMRSKWJJBFW-PMPSAXMXSA-N 2 0 339.484 -0.215 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)CCSC1 ZINC000671071660 545905971 /nfs/dbraw/zinc/90/59/71/545905971.db2.gz DUJVUXAQCQBGRX-WFASDCNBSA-N 2 0 328.482 -0.250 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000671134754 545913217 /nfs/dbraw/zinc/91/32/17/545913217.db2.gz BJFJGDNXZWXCGT-AWEZNQCLSA-N 2 0 342.484 -0.083 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC000667812180 546063425 /nfs/dbraw/zinc/06/34/25/546063425.db2.gz GHBOSOOERGELNY-KGLIPLIRSA-N 2 0 325.457 -0.116 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)C1 ZINC000672358536 546094112 /nfs/dbraw/zinc/09/41/12/546094112.db2.gz YMLFBNSNHHAURC-CABCVRRESA-N 2 0 340.468 -0.188 20 0 EBADRP COC1CC[NH+](CCNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000674328881 546160383 /nfs/dbraw/zinc/16/03/83/546160383.db2.gz VFDUJXKGSWTAHT-CQSZACIVSA-N 2 0 327.473 -0.358 20 0 EBADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCN(CCO)CC1 ZINC000675693612 546189084 /nfs/dbraw/zinc/18/90/84/546189084.db2.gz UTAXWESYZXSQGB-UHFFFAOYSA-N 2 0 349.435 -0.011 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000676095458 546194656 /nfs/dbraw/zinc/19/46/56/546194656.db2.gz IORAFSPMQBHMKI-LBPRGKRZSA-N 2 0 334.424 -0.264 20 0 EBADRP CCN1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC000677217914 546226804 /nfs/dbraw/zinc/22/68/04/546226804.db2.gz PBZVMMPFTDIAQX-ZDUSSCGKSA-N 2 0 336.440 -0.064 20 0 EBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@@H](NC(N)=O)C3)C2)CC1 ZINC000677831512 546236661 /nfs/dbraw/zinc/23/66/61/546236661.db2.gz ZWCRVBGSDOJEMT-CHWSQXEVSA-N 2 0 338.456 -0.393 20 0 EBADRP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CC1 ZINC000677875839 546238846 /nfs/dbraw/zinc/23/88/46/546238846.db2.gz WAIFHBXVBJMINU-CVEARBPZSA-N 2 0 349.479 -0.683 20 0 EBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3C[NH+]4CCN3CCC4)C2)CC1 ZINC000677887637 546239912 /nfs/dbraw/zinc/23/99/12/546239912.db2.gz DOSUESPQUXTIND-WBVHZDCISA-N 2 0 335.496 -0.339 20 0 EBADRP C(=C/C[N@@H+]1CCN2CCOC[C@@H]2C1)\C[NH+]1CCN2CCOC[C@@H]2C1 ZINC000680431088 546286736 /nfs/dbraw/zinc/28/67/36/546286736.db2.gz POWBFSMQTDWYCK-QLJMBOKNSA-N 2 0 336.480 -0.425 20 0 EBADRP C[NH+](C)CCOCCNC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000682613541 546337123 /nfs/dbraw/zinc/33/71/23/546337123.db2.gz JVUZRFMZJNLLCB-LSDHHAIUSA-N 2 0 328.457 -0.195 20 0 EBADRP CN(C(=O)NCc1nnn(C)n1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000683862961 546356163 /nfs/dbraw/zinc/35/61/63/546356163.db2.gz ZKPDLLAPRPFWSS-ZDUSSCGKSA-N 2 0 336.444 -0.480 20 0 EBADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000516916789 582548010 /nfs/dbraw/zinc/54/80/10/582548010.db2.gz SUJLSVYJLHVQJB-LSDHHAIUSA-N 2 0 337.468 -0.066 20 0 EBADRP O=C(NCC(=O)N1CC[NH2+]CC1)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000891970155 582564229 /nfs/dbraw/zinc/56/42/29/582564229.db2.gz ICJOCUSFJWOHLU-HNNXBMFYSA-N 2 0 331.420 -0.568 20 0 EBADRP CC(C)([NH3+])CNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892034625 582566202 /nfs/dbraw/zinc/56/62/02/582566202.db2.gz RRPICUJXIXYOFE-CQSZACIVSA-N 2 0 327.473 -0.181 20 0 EBADRP [NH3+]C1(CNC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CCC1 ZINC000892054389 582566659 /nfs/dbraw/zinc/56/66/59/582566659.db2.gz UTDGABGEOKFEEV-OAHLLOKOSA-N 2 0 339.484 -0.036 20 0 EBADRP O=C(N[C@H]1CCC[NH2+]CC1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892083598 582567254 /nfs/dbraw/zinc/56/72/54/582567254.db2.gz WDTFRTLCKBBZER-FQUUOJAGSA-N 2 0 337.424 -0.295 20 0 EBADRP C[C@@H]1CC[C@@H](NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C[NH2+]1 ZINC000892292382 582573519 /nfs/dbraw/zinc/57/35/19/582573519.db2.gz PGMKBVIOPMZATA-KSTCHIGDSA-N 2 0 337.424 -0.297 20 0 EBADRP C[C@H](NC(=O)N1CCN(C)CC[N@H+](C)CC1)[C@H](C)N1CCOCC1 ZINC000892837377 582589183 /nfs/dbraw/zinc/58/91/83/582589183.db2.gz BLJQVTYPXRRLQH-HOTGVXAUSA-N 2 0 341.500 -0.016 20 0 EBADRP C[C@H]1CC[N@H+](CCNC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000895968484 582655416 /nfs/dbraw/zinc/65/54/16/582655416.db2.gz OKBZXBCTXYIPDS-KBPBESRZSA-N 2 0 325.457 -0.033 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000729033238 582683391 /nfs/dbraw/zinc/68/33/91/582683391.db2.gz PPGFAHVXNCONAE-MRXNPFEDSA-N 2 0 326.485 -0.071 20 0 EBADRP Cn1nnnc1CCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000898606913 582735921 /nfs/dbraw/zinc/73/59/21/582735921.db2.gz BXYZXWCBJSPKAQ-UHFFFAOYSA-N 2 0 326.449 -0.723 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1OCCN(C)C1=O ZINC000900481124 582770285 /nfs/dbraw/zinc/77/02/85/582770285.db2.gz NLLABEVVGXHQQC-GJZGRUSLSA-N 2 0 340.468 -0.282 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900574322 582772181 /nfs/dbraw/zinc/77/21/81/582772181.db2.gz IIDTXWOWMCHGND-PBHICJAKSA-N 2 0 340.468 -0.546 20 0 EBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900646373 582776039 /nfs/dbraw/zinc/77/60/39/582776039.db2.gz ARFKCEXSIZZOCA-QGZVFWFLSA-N 2 0 326.485 -0.071 20 0 EBADRP C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[C@H]1C[N@H+](C)CCN1C ZINC000900800382 582783484 /nfs/dbraw/zinc/78/34/84/582783484.db2.gz CGAOWAXRALMFFA-SOUVJXGZSA-N 2 0 339.484 -0.853 20 0 EBADRP C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[C@@H]1C[N@H+](C)CCN1C ZINC000900800383 582783765 /nfs/dbraw/zinc/78/37/65/582783765.db2.gz CGAOWAXRALMFFA-ZNMIVQPWSA-N 2 0 339.484 -0.853 20 0 EBADRP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000901107536 582792602 /nfs/dbraw/zinc/79/26/02/582792602.db2.gz YHVBZXKIJQKOBM-JJRVBVJISA-N 2 0 338.452 -0.794 20 0 EBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903572031 582812761 /nfs/dbraw/zinc/81/27/61/582812761.db2.gz CRJCVSRGTIATGO-NXEZZACHSA-N 2 0 330.376 -0.264 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CCO1 ZINC000903772976 582818622 /nfs/dbraw/zinc/81/86/22/582818622.db2.gz YZCYFWFEKZGDEH-KGLIPLIRSA-N 2 0 340.468 -0.249 20 0 EBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)CC[C@@H]21 ZINC000903775888 582820027 /nfs/dbraw/zinc/82/00/27/582820027.db2.gz HOXMPGUGOSAUCD-QCNOEVLYSA-N 2 0 348.369 -0.113 20 0 EBADRP Cn1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c(=O)n(C)c1=O ZINC000903980576 582824067 /nfs/dbraw/zinc/82/40/67/582824067.db2.gz UWZJIGCHKRGXCY-IYBDPMFKSA-N 2 0 347.463 -0.515 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000736767999 582954507 /nfs/dbraw/zinc/95/45/07/582954507.db2.gz VPLOUVIFFRPIAA-UHFFFAOYSA-N 2 0 332.412 -0.173 20 0 EBADRP C[NH+](C)CCNC(=O)C1CCN(C(=S)NCC[NH+](C)C)CC1 ZINC000743595160 583086308 /nfs/dbraw/zinc/08/63/08/583086308.db2.gz DILTTXTXUJFBMS-UHFFFAOYSA-N 2 0 329.514 -0.188 20 0 EBADRP C[NH+](C)CCNC(=S)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000764501054 583273352 /nfs/dbraw/zinc/27/33/52/583273352.db2.gz BBIDXINJIGFNEB-ZDUSSCGKSA-N 2 0 327.498 -0.339 20 0 EBADRP O[C@@H]1C[NH+](CCCCCCCCC[N@@H+]2C[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000781898435 583462762 /nfs/dbraw/zinc/46/27/62/583462762.db2.gz KNAPECLXJWHKQK-WNKDZCFJSA-N 2 0 330.469 -0.208 20 0 EBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000803203244 583628145 /nfs/dbraw/zinc/62/81/45/583628145.db2.gz BWLCNVADSWDGTL-MGPQQGTHSA-N 2 0 326.441 -0.578 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804053391 583638040 /nfs/dbraw/zinc/63/80/40/583638040.db2.gz JQZPASGAADVAPT-KBPBESRZSA-N 2 0 326.441 -0.624 20 0 EBADRP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804053362 583638183 /nfs/dbraw/zinc/63/81/83/583638183.db2.gz JFFQBVHXEBJCQD-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804057292 583640073 /nfs/dbraw/zinc/64/00/73/583640073.db2.gz WCCZFAZMLQENKO-GJZGRUSLSA-N 2 0 338.452 -0.482 20 0 EBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000817813535 583729781 /nfs/dbraw/zinc/72/97/81/583729781.db2.gz HYYXFBVJDPYKCP-ZNMIVQPWSA-N 2 0 338.452 -0.482 20 0 EBADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)C[NH+]2CCCC2)CC1=O ZINC000822973273 583822161 /nfs/dbraw/zinc/82/21/61/583822161.db2.gz IZSSZWDHAQJHBG-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP C[C@@H](CNC(=O)Cc1n[nH]cc1C(=O)NC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000823615399 583835081 /nfs/dbraw/zinc/83/50/81/583835081.db2.gz KDSMBXSYODKIQG-RYUDHWBXSA-N 2 0 338.456 -0.302 20 0 EBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000827706299 583926429 /nfs/dbraw/zinc/92/64/29/583926429.db2.gz KYBABFPQGUBZNN-SOUVJXGZSA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[NH+]1CCCCC1 ZINC000842015757 584056321 /nfs/dbraw/zinc/05/63/21/584056321.db2.gz MYLNWCVMVQXREU-KBPBESRZSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CCO1 ZINC000842130387 584057301 /nfs/dbraw/zinc/05/73/01/584057301.db2.gz OGQXHTQHOLABKR-XUXIUFHCSA-N 2 0 326.441 -0.450 20 0 EBADRP [NH3+][C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000842164772 584058471 /nfs/dbraw/zinc/05/84/71/584058471.db2.gz OTVWGKQLVNALLY-OWCLPIDISA-N 2 0 346.431 -0.218 20 0 EBADRP [NH3+][C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000842164771 584058480 /nfs/dbraw/zinc/05/84/80/584058480.db2.gz OTVWGKQLVNALLY-HRCADAONSA-N 2 0 346.431 -0.218 20 0 EBADRP [NH3+][C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000842164769 584058649 /nfs/dbraw/zinc/05/86/49/584058649.db2.gz OTVWGKQLVNALLY-ARFHVFGLSA-N 2 0 346.431 -0.218 20 0 EBADRP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[NH2+]1 ZINC000842164442 584058680 /nfs/dbraw/zinc/05/86/80/584058680.db2.gz LFWBJEUIFKOPMR-QLFBSQMISA-N 2 0 338.452 -0.578 20 0 EBADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C[C@H]1C[NH3+] ZINC000842165372 584058863 /nfs/dbraw/zinc/05/88/63/584058863.db2.gz VMGAGAHDCAFHOU-APIJFGDWSA-N 2 0 338.452 -0.591 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000843260837 584074466 /nfs/dbraw/zinc/07/44/66/584074466.db2.gz GRAJUMZMOCHUIU-YDHLFZDLSA-N 2 0 340.468 -0.012 20 0 EBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000844181645 584090131 /nfs/dbraw/zinc/09/01/31/584090131.db2.gz GAUAYHSSXYOCSM-KGLIPLIRSA-N 2 0 326.441 -0.541 20 0 EBADRP [NH3+]CCC1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000846327845 584124628 /nfs/dbraw/zinc/12/46/28/584124628.db2.gz DXQGJJPZWXZDDP-GJZGRUSLSA-N 2 0 338.452 -0.447 20 0 EBADRP [NH2+]=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCN(c2ncccn2)CC1 ZINC000849073799 584165739 /nfs/dbraw/zinc/16/57/39/584165739.db2.gz DXOZPZHDFNZGLL-CABCVRRESA-N 2 0 345.451 -0.014 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000851684720 584198297 /nfs/dbraw/zinc/19/82/97/584198297.db2.gz KDEMITQQGHHCJQ-AWEZNQCLSA-N 2 0 340.468 -0.058 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000851684940 584198411 /nfs/dbraw/zinc/19/84/11/584198411.db2.gz NLJXLHMAZJCKGK-TZMCWYRMSA-N 2 0 326.441 -0.530 20 0 EBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000851688583 584199205 /nfs/dbraw/zinc/19/92/05/584199205.db2.gz DBWDXKACXQWRCN-ZDUSSCGKSA-N 2 0 333.436 -0.127 20 0 EBADRP [NH3+]C[C@H]1CC(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)=NO1 ZINC000852873396 584218575 /nfs/dbraw/zinc/21/85/75/584218575.db2.gz UVABQAKPECRWHW-OAHLLOKOSA-N 3 0 346.435 -0.187 20 0 EBADRP C[Si](C)(CC[NH+]1C[C@@H](O)[C@H](CO)C1)CC[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC000859329538 584300113 /nfs/dbraw/zinc/30/01/13/584300113.db2.gz SAOVXVPNCDSDES-YHUYYLMFSA-N 2 0 346.544 -0.735 20 0 EBADRP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)[NH+]1CCCCC1 ZINC000861729073 584335566 /nfs/dbraw/zinc/33/55/66/584335566.db2.gz OMXFKFNNGIEJSK-CYBMUJFWSA-N 2 0 326.441 -0.399 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000861750127 584337223 /nfs/dbraw/zinc/33/72/23/584337223.db2.gz NPFIQSKQNDMYSG-AWEZNQCLSA-N 2 0 326.441 -0.447 20 0 EBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000863762339 584377448 /nfs/dbraw/zinc/37/74/48/584377448.db2.gz PJAOHLVJRAZSME-CHWSQXEVSA-N 2 0 326.441 -0.496 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000866821915 584407932 /nfs/dbraw/zinc/40/79/32/584407932.db2.gz BXLGWEOAVVYJKK-CABCVRRESA-N 2 0 330.498 -0.220 20 0 EBADRP C[NH+](C)CCCS(=O)(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000867816946 584418298 /nfs/dbraw/zinc/41/82/98/584418298.db2.gz QFQFXOIYYLFRBB-UHFFFAOYSA-N 2 0 332.514 -0.020 20 0 EBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000868387102 584427127 /nfs/dbraw/zinc/42/71/27/584427127.db2.gz PCBOJMNRNOSNAP-KFWWJZLASA-N 3 0 339.484 -0.996 20 0 EBADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC1=O ZINC000868387279 584427238 /nfs/dbraw/zinc/42/72/38/584427238.db2.gz ADXNNAGESTWLAL-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)CCO1 ZINC000868407579 584428589 /nfs/dbraw/zinc/42/85/89/584428589.db2.gz XWSAATKIIMANAF-OLZOCXBDSA-N 2 0 326.441 -0.496 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4CC[NH2+]CC4)C3)CC[C@H]21 ZINC000868409269 584428890 /nfs/dbraw/zinc/42/88/90/584428890.db2.gz AZGDVNOSZZRXTI-OWCLPIDISA-N 2 0 349.479 -0.955 20 0 EBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000871814280 584457489 /nfs/dbraw/zinc/45/74/89/584457489.db2.gz RRQUHHVOZBIAKS-KOLCDFICSA-N 2 0 344.403 -0.016 20 0 EBADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872300372 584461265 /nfs/dbraw/zinc/46/12/65/584461265.db2.gz BNMIMFWRTLJLBT-XAAJGCANSA-N 2 0 334.420 -0.064 20 0 EBADRP O=C(N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000872302256 584461597 /nfs/dbraw/zinc/46/15/97/584461597.db2.gz TYJYUOWEAZXSJP-TVRNETQVSA-N 2 0 334.420 -0.088 20 0 EBADRP COC(=O)[C@@H]1CN(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C(=O)O1 ZINC000872636085 584464340 /nfs/dbraw/zinc/46/43/40/584464340.db2.gz HROIBWIJCVJHCF-MCIONIFRSA-N 2 0 342.440 -0.391 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cn1 ZINC000874172200 584479769 /nfs/dbraw/zinc/47/97/69/584479769.db2.gz IMTIZSSFNFCQBO-HIFRSBDPSA-N 2 0 348.451 -0.064 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cn1 ZINC000874172202 584480040 /nfs/dbraw/zinc/48/00/40/584480040.db2.gz IMTIZSSFNFCQBO-ZFWWWQNUSA-N 2 0 348.451 -0.064 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCNC(=O)C2CC2)C[C@H]1C[NH+](C)C ZINC000875006129 584487767 /nfs/dbraw/zinc/48/77/67/584487767.db2.gz GLOYONKZRSCLTP-HUUCEWRRSA-N 2 0 339.484 -0.107 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCc2cc[nH]n2)C[C@H]1C[NH+](C)C ZINC000875094778 584489599 /nfs/dbraw/zinc/48/95/99/584489599.db2.gz CZLKSNGVKNUJCE-CHWSQXEVSA-N 2 0 336.440 -0.776 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000875159406 584491316 /nfs/dbraw/zinc/49/13/16/584491316.db2.gz IXTOWQGRFSKZNA-UONOGXRCSA-N 2 0 326.441 -0.767 20 0 EBADRP Cn1ccc(CNC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000875229449 584494506 /nfs/dbraw/zinc/49/45/06/584494506.db2.gz JPMHJJFCKXCNIM-HZPDHXFCSA-N 2 0 349.479 -0.161 20 0 EBADRP CON(C)C(=O)[C@@H](C)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875906320 584508484 /nfs/dbraw/zinc/50/84/84/584508484.db2.gz GFYIMOLCEADADL-MGPQQGTHSA-N 2 0 343.472 -0.225 20 0 EBADRP COC[C@]1(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C[NH2+]CCO1 ZINC000876719190 584521610 /nfs/dbraw/zinc/52/16/10/584521610.db2.gz FPBBGCOZTZZMTF-WBVHZDCISA-N 2 0 341.452 -0.249 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876748835 584522122 /nfs/dbraw/zinc/52/21/22/584522122.db2.gz HYBJRDJNAHRHPQ-HZSPNIEDSA-N 2 0 328.432 -0.007 20 0 EBADRP COC[C@]1(C(=O)N2CC[NH+](CC3CCOCC3)CC2)C[NH2+]CCO1 ZINC000876764807 584522799 /nfs/dbraw/zinc/52/27/99/584522799.db2.gz RUAIAONNVFDHEC-KRWDZBQOSA-N 2 0 341.452 -0.438 20 0 EBADRP COC[C@@]1(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)C[NH2+]CCO1 ZINC000876773490 584523130 /nfs/dbraw/zinc/52/31/30/584523130.db2.gz SIQUEQCDWPONCW-GDBMZVCRSA-N 2 0 327.425 -0.828 20 0 EBADRP COC[C@]1(C(=O)NCCN2CCC([NH+](C)C)CC2)C[NH2+]CCO1 ZINC000876776934 584523635 /nfs/dbraw/zinc/52/36/35/584523635.db2.gz KRZOBNNMQFTHNJ-INIZCTEOSA-N 2 0 328.457 -0.866 20 0 EBADRP O=C(/C=C\[C@H]1CCC[NH2+]C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000876995901 584528190 /nfs/dbraw/zinc/52/81/90/584528190.db2.gz JVNFLKISWSSAQF-ABCZVMIZSA-N 2 0 335.452 -0.288 20 0 EBADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000876995906 584528222 /nfs/dbraw/zinc/52/82/22/584528222.db2.gz JVNFLKISWSSAQF-BWPKMQGJSA-N 2 0 335.452 -0.288 20 0 EBADRP COC[C@@]1(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)C[NH2+]CCO1 ZINC000877199590 584529951 /nfs/dbraw/zinc/52/99/51/584529951.db2.gz WVINFJFFPMRZPD-MRXNPFEDSA-N 3 0 335.408 -0.565 20 0 EBADRP COC[C@]1(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C[NH2+]CCO1 ZINC000877326814 584531650 /nfs/dbraw/zinc/53/16/50/584531650.db2.gz GXCNPBWRPWYPRH-CJNGLKHVSA-N 2 0 327.425 -0.734 20 0 EBADRP CC[C@H]1COCCN1CCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000877434814 584532687 /nfs/dbraw/zinc/53/26/87/584532687.db2.gz VAQFTVIQAAIEDW-KBPBESRZSA-N 2 0 326.441 -0.528 20 0 EBADRP CN1CC[NH+](CCCCCC[N@H+]2CCN(C)C[C@H]2CO)[C@H](CO)C1 ZINC000879001729 584546887 /nfs/dbraw/zinc/54/68/87/584546887.db2.gz GJINUZTVONOGFW-ROUUACIJSA-N 2 0 342.528 -0.237 20 0 EBADRP CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000883421481 584600948 /nfs/dbraw/zinc/60/09/48/584600948.db2.gz NEWBRPPPHZRZED-HZPDHXFCSA-N 2 0 339.484 -0.214 20 0 EBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1 ZINC000883638718 584603910 /nfs/dbraw/zinc/60/39/10/584603910.db2.gz VCJUMTIWCGNHRN-ZIAGYGMSSA-N 2 0 331.420 -0.061 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CCN1c1cc[nH+]cc1 ZINC000883638433 584604062 /nfs/dbraw/zinc/60/40/62/584604062.db2.gz MJKSHFWQPKROKD-KBPBESRZSA-N 2 0 331.420 -0.074 20 0 EBADRP CCOCCN1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH2+]C)CC1 ZINC000883645119 584604375 /nfs/dbraw/zinc/60/43/75/584604375.db2.gz APXTUUMYMUZBPE-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884234850 584619913 /nfs/dbraw/zinc/61/99/13/584619913.db2.gz GHOHXFQZSVTGED-HNNXBMFYSA-N 2 0 346.479 -0.143 20 0 EBADRP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884516542 584625295 /nfs/dbraw/zinc/62/52/95/584625295.db2.gz NBIUCEFFQGYKSP-SOUVJXGZSA-N 2 0 336.436 -0.681 20 0 EBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000884516813 584625638 /nfs/dbraw/zinc/62/56/38/584625638.db2.gz VGOARODCKAFVDV-UMVBOHGHSA-N 2 0 338.452 -0.306 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CCSC1 ZINC000884612097 584629697 /nfs/dbraw/zinc/62/96/97/584629697.db2.gz CUMTYXNDADRTTH-APHBMKBZSA-N 2 0 340.493 -0.392 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884637656 584630490 /nfs/dbraw/zinc/63/04/90/584630490.db2.gz WPBBMNKKRNYGBU-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000884643117 584631321 /nfs/dbraw/zinc/63/13/21/584631321.db2.gz XPOPQSHMWWBNEM-LXTVHRRPSA-N 2 0 338.452 -0.530 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)C2(C[NH3+])CCCCC2)C1 ZINC000884642150 584631332 /nfs/dbraw/zinc/63/13/32/584631332.db2.gz BTDGNONAJGIFIE-AWEZNQCLSA-N 2 0 340.468 -0.057 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884662544 584632305 /nfs/dbraw/zinc/63/23/05/584632305.db2.gz SFYKRBOPDQXTKR-QGZVFWFLSA-N 2 0 340.468 -0.327 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884706329 584635003 /nfs/dbraw/zinc/63/50/03/584635003.db2.gz ZJQOIEVKUMYFEW-REWJHTLYSA-N 2 0 338.452 -0.232 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCC2)C[C@H]1C[NH+](C)C ZINC000884715394 584635247 /nfs/dbraw/zinc/63/52/47/584635247.db2.gz RUJTWHUMMYKDNB-ZIAGYGMSSA-N 3 0 339.484 -0.818 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000884721736 584635857 /nfs/dbraw/zinc/63/58/57/584635857.db2.gz RTEIVAVRJPDBJY-AWEZNQCLSA-N 2 0 349.435 -0.529 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CCN1c1cc[nH+]cc1 ZINC000884725920 584636632 /nfs/dbraw/zinc/63/66/32/584636632.db2.gz CIDKBYSHSRSGDC-UKRRQHHQSA-N 2 0 347.419 -0.777 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CCN1c1cc[nH+]cc1 ZINC000884815514 584638555 /nfs/dbraw/zinc/63/85/55/584638555.db2.gz REAFJAGJXXGIGH-ZIAGYGMSSA-N 2 0 347.419 -0.777 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000884986463 584642267 /nfs/dbraw/zinc/64/22/67/584642267.db2.gz QLCYAOMNYLEPLB-UHFFFAOYSA-N 2 0 328.457 -0.201 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885286488 584647145 /nfs/dbraw/zinc/64/71/45/584647145.db2.gz WQCGWWLLDURECW-VXGBXAGGSA-N 2 0 332.395 -0.052 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[NH2+]CCC3(F)F)CC[C@@H]21 ZINC000885296564 584647765 /nfs/dbraw/zinc/64/77/65/584647765.db2.gz ZGCSHVUOWHSFRA-UPJWGTAASA-N 2 0 344.406 -0.100 20 0 EBADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000887063078 584673799 /nfs/dbraw/zinc/67/37/99/584673799.db2.gz OWNWCGQJVZZQGY-AWEZNQCLSA-N 2 0 338.452 -0.351 20 0 EBADRP COC[C@]1(C(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH2+]CCO1 ZINC000876730638 650043111 /nfs/dbraw/zinc/04/31/11/650043111.db2.gz ILHNZTBPKXPDBU-UXLLHSPISA-N 2 0 343.468 -0.003 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)CCO1 ZINC000904955814 650051189 /nfs/dbraw/zinc/05/11/89/650051189.db2.gz GLHQKYJOMOIXAA-STQMWFEESA-N 2 0 328.457 -0.393 20 0 EBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)CCO1 ZINC000904955811 650051239 /nfs/dbraw/zinc/05/12/39/650051239.db2.gz GLHQKYJOMOIXAA-CHWSQXEVSA-N 2 0 328.457 -0.393 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC000904984277 650054959 /nfs/dbraw/zinc/05/49/59/650054959.db2.gz QKXRJVHRHRHLTM-UHFFFAOYSA-N 2 0 326.441 -0.623 20 0 EBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000904990119 650055419 /nfs/dbraw/zinc/05/54/19/650055419.db2.gz OKGGEEGCLJRLNL-KFWWJZLASA-N 2 0 338.452 -0.746 20 0 EBADRP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000904986961 650055422 /nfs/dbraw/zinc/05/54/22/650055422.db2.gz MMOQNSVTHMVYLC-BARDWOONSA-N 2 0 336.436 -0.993 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000904994658 650056803 /nfs/dbraw/zinc/05/68/03/650056803.db2.gz HWZPKCUIQAKOER-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000904997532 650057945 /nfs/dbraw/zinc/05/79/45/650057945.db2.gz TYIZECRJBQDFKX-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000905015282 650059901 /nfs/dbraw/zinc/05/99/01/650059901.db2.gz OCWNSYKKPCERCV-CQSZACIVSA-N 2 0 326.441 -0.767 20 0 EBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2COC)C1 ZINC000905023723 650061318 /nfs/dbraw/zinc/06/13/18/650061318.db2.gz UQWIQXBUZVZFAY-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP CN1CC[N@H+](C)CC(C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C1 ZINC000906706717 650070112 /nfs/dbraw/zinc/07/01/12/650070112.db2.gz AQKSSBVTPSYDFS-QGZVFWFLSA-N 2 0 337.512 -0.282 20 0 EBADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000910971294 650142423 /nfs/dbraw/zinc/14/24/23/650142423.db2.gz MRWKGHRLPVRINJ-KRWDZBQOSA-N 2 0 340.468 -0.322 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CCCO1 ZINC000910984907 650143542 /nfs/dbraw/zinc/14/35/42/650143542.db2.gz QGVLSNALJZQFKH-CABCVRRESA-N 2 0 340.468 -0.199 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCCO1 ZINC000910983616 650143582 /nfs/dbraw/zinc/14/35/82/650143582.db2.gz IQKSQJSCANANNH-APIJFGDWSA-N 2 0 338.452 -0.387 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CCCO1 ZINC000910984908 650143761 /nfs/dbraw/zinc/14/37/61/650143761.db2.gz QGVLSNALJZQFKH-GJZGRUSLSA-N 2 0 340.468 -0.199 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000910991966 650144406 /nfs/dbraw/zinc/14/44/06/650144406.db2.gz KJHSHKUOKSCNAR-MGPQQGTHSA-N 2 0 326.441 -0.687 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC000910990297 650144417 /nfs/dbraw/zinc/14/44/17/650144417.db2.gz BJTBZTUHPHKJOL-KGLIPLIRSA-N 2 0 340.468 -0.345 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000910994168 650144420 /nfs/dbraw/zinc/14/44/20/650144420.db2.gz WOZSEAYWNNIURF-APIJFGDWSA-N 2 0 338.452 -0.532 20 0 EBADRP C[N@H+](CCCCNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)C1CC1 ZINC000911016800 650145569 /nfs/dbraw/zinc/14/55/69/650145569.db2.gz GYONWVFQKYWKRJ-INIZCTEOSA-N 2 0 326.441 -0.711 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000911030965 650146966 /nfs/dbraw/zinc/14/69/66/650146966.db2.gz NKTUJLPRJHVHBQ-CKEIUWERSA-N 2 0 337.468 -0.922 20 0 EBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000911145670 650153530 /nfs/dbraw/zinc/15/35/30/650153530.db2.gz GUNUXZUXQQDTJC-OCCSQVGLSA-N 2 0 338.452 -0.448 20 0 EBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1(C)C ZINC000911095889 650151161 /nfs/dbraw/zinc/15/11/61/650151161.db2.gz GEBFFGUDZYYGES-ZDUSSCGKSA-N 2 0 325.457 -0.922 20 0 EBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000911100043 650151328 /nfs/dbraw/zinc/15/13/28/650151328.db2.gz QIYLJKCVWSCASU-ZFWWWQNUSA-N 2 0 338.452 -0.304 20 0 EBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911147725 650154346 /nfs/dbraw/zinc/15/43/46/650154346.db2.gz SCRSBEQMBPBNOF-WFASDCNBSA-N 2 0 337.468 -0.875 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C[C@H]1CC[NH3+] ZINC000911148817 650154484 /nfs/dbraw/zinc/15/44/84/650154484.db2.gz RBOFPPBQQWTMCI-KBUPBQIOSA-N 2 0 338.452 -0.591 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000911149557 650154681 /nfs/dbraw/zinc/15/46/81/650154681.db2.gz XOKWKBCKAJCRKP-APIJFGDWSA-N 2 0 338.452 -0.672 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000911155350 650154984 /nfs/dbraw/zinc/15/49/84/650154984.db2.gz JLDPEZVXHVQICZ-INIZCTEOSA-N 2 0 326.441 -0.575 20 0 EBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000911161867 650155311 /nfs/dbraw/zinc/15/53/11/650155311.db2.gz OFRVUMZAYRHTAM-AWEZNQCLSA-N 2 0 340.468 -0.057 20 0 EBADRP C[C@@H](NC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CN(C)CCO1 ZINC000911162196 650155740 /nfs/dbraw/zinc/15/57/40/650155740.db2.gz NSSYCGUEBUGYOW-AAVRWANBSA-N 2 0 326.441 -0.817 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000911163832 650156391 /nfs/dbraw/zinc/15/63/91/650156391.db2.gz ZQURIBNQKPLPMT-CQSZACIVSA-N 2 0 326.441 -0.719 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911188397 650157844 /nfs/dbraw/zinc/15/78/44/650157844.db2.gz XMOJWBWKPJVCQA-HUUCEWRRSA-N 2 0 339.484 -0.756 20 0 EBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1CCOC ZINC000911187108 650157947 /nfs/dbraw/zinc/15/79/47/650157947.db2.gz MGRSGEKYMDYFIH-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)NCCN1CCC([NH3+])CC1)C1CC1 ZINC000911185662 650157977 /nfs/dbraw/zinc/15/79/77/650157977.db2.gz BIDBAPIIZTZVCZ-UHFFFAOYSA-N 2 0 325.457 -0.874 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911194465 650158450 /nfs/dbraw/zinc/15/84/50/650158450.db2.gz NNAZDSJVYNFTMG-ZNMIVQPWSA-N 2 0 338.452 -0.719 20 0 EBADRP C[C@H](NC(=O)C(=O)NCCN1CCC([NH3+])CC1)C(C)(C)C[NH+](C)C ZINC000911197102 650158970 /nfs/dbraw/zinc/15/89/70/650158970.db2.gz DMVNASRCIFFZMO-ZDUSSCGKSA-N 2 0 341.500 -0.382 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C[C@H]1CC[NH3+] ZINC000911200092 650159058 /nfs/dbraw/zinc/15/90/58/650159058.db2.gz PFVKNDODXHKCNT-XJKCOSOUSA-N 2 0 342.509 -0.017 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1)[N@H+](C)C1CC1 ZINC000911204328 650159665 /nfs/dbraw/zinc/15/96/65/650159665.db2.gz AVARIJYMTHIYLN-LBPRGKRZSA-N 2 0 326.441 -0.448 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@H]1C(F)(F)F ZINC000911215367 650160056 /nfs/dbraw/zinc/16/00/56/650160056.db2.gz OHUZNHOHMHKFOU-YUSALJHKSA-N 2 0 348.369 -0.065 20 0 EBADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911238006 650161910 /nfs/dbraw/zinc/16/19/10/650161910.db2.gz JRNBGLTWEBEFCV-HNNXBMFYSA-N 2 0 337.468 -0.859 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NCCCN2CCOCC2)CC[C@@H]1C[NH3+] ZINC000911247208 650163074 /nfs/dbraw/zinc/16/30/74/650163074.db2.gz NGIIIRCEQATNJM-ZIAGYGMSSA-N 2 0 326.441 -0.732 20 0 EBADRP CC1(C)CC(NC(=O)C(=O)N2CCNCC[NH2+]CC2)CC(C)(C)[NH2+]1 ZINC000911248636 650163475 /nfs/dbraw/zinc/16/34/75/650163475.db2.gz YWMPGTHUSBBREZ-UHFFFAOYSA-N 2 0 339.484 -0.567 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000911258860 650163866 /nfs/dbraw/zinc/16/38/66/650163866.db2.gz SWJLVMTYKWNUIK-OAHLLOKOSA-N 2 0 338.452 -0.576 20 0 EBADRP C[N@H+](Cc1ccccc1)C1(CNC(=O)C(=O)NCC[NH3+])CCOCC1 ZINC000911269893 650164269 /nfs/dbraw/zinc/16/42/69/650164269.db2.gz QJGYDCYJBYINCH-UHFFFAOYSA-N 2 0 348.447 -0.141 20 0 EBADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)c1ccccc1 ZINC000911266916 650164280 /nfs/dbraw/zinc/16/42/80/650164280.db2.gz KAYSHBCMDRQNSQ-QAPCUYQASA-N 2 0 348.447 -0.282 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1)C[NH+]1CCN(C)CC1 ZINC000911268745 650164466 /nfs/dbraw/zinc/16/44/66/650164466.db2.gz FSRYKPRGRRSRNE-KBPBESRZSA-N 2 0 339.484 -0.818 20 0 EBADRP [NH3+]C1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000911269502 650164530 /nfs/dbraw/zinc/16/45/30/650164530.db2.gz LCGSPTSUXQBTQS-HUUCEWRRSA-N 2 0 337.468 -0.731 20 0 EBADRP CC[NH2+]CCCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911270622 650165109 /nfs/dbraw/zinc/16/51/09/650165109.db2.gz OGWANZNINVDPRP-KGLIPLIRSA-N 2 0 326.441 -0.840 20 0 EBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000911272647 650165294 /nfs/dbraw/zinc/16/52/94/650165294.db2.gz DGZRBCWOWAXLSR-UHFFFAOYSA-N 2 0 339.484 -0.754 20 0 EBADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000911293292 650167331 /nfs/dbraw/zinc/16/73/31/650167331.db2.gz DGSDFPZDOVJZQX-BXUZGUMPSA-N 2 0 349.435 -0.007 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000911240519 650162202 /nfs/dbraw/zinc/16/22/02/650162202.db2.gz JDUXAUJNJJXKQV-WMLDXEAASA-N 2 0 338.452 -0.432 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000911240524 650162294 /nfs/dbraw/zinc/16/22/94/650162294.db2.gz JGQAGBAIVLNICE-RDBSUJKOSA-N 2 0 326.441 -0.733 20 0 EBADRP O=C(NCC1=CC[NH2+]CC1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911305837 650168659 /nfs/dbraw/zinc/16/86/59/650168659.db2.gz IOWCAZJKNUHCQA-CABCVRRESA-N 2 0 336.436 -0.920 20 0 EBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911333971 650171745 /nfs/dbraw/zinc/17/17/45/650171745.db2.gz WMMBBMUUGVQNGQ-HNNXBMFYSA-N 2 0 339.484 -0.756 20 0 EBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)C1 ZINC000911336367 650172323 /nfs/dbraw/zinc/17/23/23/650172323.db2.gz HKRATOIEDYPPTM-ZDUSSCGKSA-N 2 0 326.441 -0.447 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)C[NH+](C)C ZINC000911346497 650173438 /nfs/dbraw/zinc/17/34/38/650173438.db2.gz PBVPCGNJGYMGGG-QWHCGFSZSA-N 2 0 326.441 -0.530 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1)C[NH+](C)C ZINC000911359732 650174951 /nfs/dbraw/zinc/17/49/51/650174951.db2.gz WDISEYBVBIUQIS-KBPBESRZSA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000911365071 650175186 /nfs/dbraw/zinc/17/51/86/650175186.db2.gz BEWHXUFLANQFRH-BPLDGKMQSA-N 2 0 333.436 -0.085 20 0 EBADRP CC(C)([NH3+])CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911367435 650175744 /nfs/dbraw/zinc/17/57/44/650175744.db2.gz ZFGVRNUGOBMBJX-QWHCGFSZSA-N 2 0 326.441 -0.712 20 0 EBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911410975 650179387 /nfs/dbraw/zinc/17/93/87/650179387.db2.gz IOAZDCLHQPTJBY-AWEZNQCLSA-N 2 0 325.457 -0.922 20 0 EBADRP CN(C(=O)C(=O)NCCN1CCC([NH3+])CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000911412544 650179926 /nfs/dbraw/zinc/17/99/26/650179926.db2.gz NQYJKPZUEWGDDB-HNNXBMFYSA-N 2 0 337.468 -0.779 20 0 EBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911412729 650180307 /nfs/dbraw/zinc/18/03/07/650180307.db2.gz BRLUPKRZKAISRG-UHFFFAOYSA-N 2 0 339.484 -0.530 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C[C@H]1[NH3+] ZINC000911420582 650182330 /nfs/dbraw/zinc/18/23/30/650182330.db2.gz QTUQCJGQBIJTLZ-BPLDGKMQSA-N 2 0 333.436 -0.004 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1)C[NH+](C)C ZINC000911433079 650182975 /nfs/dbraw/zinc/18/29/75/650182975.db2.gz BISSZYQRMYYGDC-KBPBESRZSA-N 2 0 328.457 -0.201 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1)C[NH+](C)C ZINC000911433081 650183127 /nfs/dbraw/zinc/18/31/27/650183127.db2.gz BISSZYQRMYYGDC-UONOGXRCSA-N 2 0 328.457 -0.201 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1)C[NH+](C)C ZINC000911435319 650183490 /nfs/dbraw/zinc/18/34/90/650183490.db2.gz LMDNYSOQFQMIIF-MGPQQGTHSA-N 2 0 328.457 -0.345 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])C[NH+](C)C ZINC000911436559 650183848 /nfs/dbraw/zinc/18/38/48/650183848.db2.gz VJMMJBJJSDXQPH-HZSPNIEDSA-N 2 0 328.457 -0.345 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)C[NH+](C)C ZINC000911435837 650183948 /nfs/dbraw/zinc/18/39/48/650183948.db2.gz PZMINJYDZPSVDS-KGLIPLIRSA-N 2 0 328.457 -0.343 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911528448 650190446 /nfs/dbraw/zinc/19/04/46/650190446.db2.gz ONQFJTXMJGASDO-ZIAGYGMSSA-N 2 0 340.468 -0.330 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911503571 650188811 /nfs/dbraw/zinc/18/88/11/650188811.db2.gz AZNLKWJGQCEHEI-CYBMUJFWSA-N 2 0 326.441 -0.447 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911528447 650190506 /nfs/dbraw/zinc/19/05/06/650190506.db2.gz ONQFJTXMJGASDO-UONOGXRCSA-N 2 0 340.468 -0.330 20 0 EBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911533813 650191074 /nfs/dbraw/zinc/19/10/74/650191074.db2.gz LLYBKDRZXVJVTF-RDBSUJKOSA-N 2 0 338.452 -0.842 20 0 EBADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000911544736 650191941 /nfs/dbraw/zinc/19/19/41/650191941.db2.gz LJMMZYJQRWFCSE-ZDUSSCGKSA-N 2 0 325.457 -0.942 20 0 EBADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccnn1CC[NH+](C)C ZINC000911545685 650192545 /nfs/dbraw/zinc/19/25/45/650192545.db2.gz QUMZUFXSQCLFDH-ZDUSSCGKSA-N 2 0 336.440 -0.363 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000911559402 650193606 /nfs/dbraw/zinc/19/36/06/650193606.db2.gz DOONWJWFKLSZON-YXSUXZIUSA-N 2 0 326.441 -0.545 20 0 EBADRP [NH3+][C@@H]1CCc2cc(C(=O)NCCN3CC[NH2+]CC3)ccc2NC1=O ZINC000911693500 650195430 /nfs/dbraw/zinc/19/54/30/650195430.db2.gz KIJXFKDGOUSVJV-CQSZACIVSA-N 2 0 331.420 -0.466 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C[C@H]1C[NH+](C)C ZINC000913437137 650233633 /nfs/dbraw/zinc/23/36/33/650233633.db2.gz OVXVCVBVMGHACI-ANQUJSFKSA-N 3 0 326.485 -0.361 20 0 EBADRP CN1CCO[C@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1=O ZINC000913438113 650233711 /nfs/dbraw/zinc/23/37/11/650233711.db2.gz VFGRKNVDPCEOJQ-MCIONIFRSA-N 2 0 326.441 -0.959 20 0 EBADRP C[NH+](C)CCNC(=S)NC[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000916017988 650271791 /nfs/dbraw/zinc/27/17/91/650271791.db2.gz UWOGOXDAAKDDMZ-HNNXBMFYSA-N 2 0 343.541 -0.334 20 0 EBADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000923343686 650338046 /nfs/dbraw/zinc/33/80/46/650338046.db2.gz FGMXXYPXFOXSTE-XHSDSOJGSA-N 2 0 343.468 -0.138 20 0 EBADRP Cn1ncc2c1ncnc2N1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923318922 650338041 /nfs/dbraw/zinc/33/80/41/650338041.db2.gz JJJWGQOIZPMJGA-CYBMUJFWSA-N 2 0 343.435 -0.136 20 0 EBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)C1 ZINC000923422983 650339303 /nfs/dbraw/zinc/33/93/03/650339303.db2.gz YIORNOVLIRSJER-NMHRLERGSA-N 2 0 325.453 -0.031 20 0 EBADRP C[C@@H](NC(=O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1)C(=O)N(C)C ZINC000923448305 650341121 /nfs/dbraw/zinc/34/11/21/650341121.db2.gz BNHIKBKHSABYSW-CHWSQXEVSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@H]1C[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CC[C@H]1C[NH3+] ZINC000923496443 650342211 /nfs/dbraw/zinc/34/22/11/650342211.db2.gz IILOSHZXMGMJLA-STQMWFEESA-N 2 0 334.486 -0.699 20 0 EBADRP C[N@@H+]1CC[C@@H]1CNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000924026058 650360422 /nfs/dbraw/zinc/36/04/22/650360422.db2.gz UVOPBCUVLLWGDL-JKSUJKDBSA-N 2 0 339.484 -0.214 20 0 EBADRP CC(C)[C@H](CN1C(=O)N[C@H](C[NH+](C)C)C1=O)[NH+]1CCN(C)CC1 ZINC000924454402 650362716 /nfs/dbraw/zinc/36/27/16/650362716.db2.gz BBFBLVQODYZVER-KGLIPLIRSA-N 2 0 325.457 -0.260 20 0 EBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000925168032 650373641 /nfs/dbraw/zinc/37/36/41/650373641.db2.gz GGATWFMWAHLTDZ-BFHYXJOUSA-N 2 0 328.482 -0.068 20 0 EBADRP C[C@@H]1[C@H](NC(=O)N2CCO[C@H](CN3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000925331336 650376205 /nfs/dbraw/zinc/37/62/05/650376205.db2.gz WMGYCBRLUXEIEE-BZUAXINKSA-N 2 0 339.484 -0.263 20 0 EBADRP C[C@@H]1[C@H](NC(=O)N2CCO[C@@H](CN3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000925331338 650376732 /nfs/dbraw/zinc/37/67/32/650376732.db2.gz WMGYCBRLUXEIEE-OWCLPIDISA-N 2 0 339.484 -0.263 20 0 EBADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000926322190 650386154 /nfs/dbraw/zinc/38/61/54/650386154.db2.gz DXNFPQNHRLJARC-KRWDZBQOSA-N 2 0 340.468 -0.369 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926333417 650386397 /nfs/dbraw/zinc/38/63/97/650386397.db2.gz JNOLWIDHHNLGDT-XJKSGUPXSA-N 2 0 326.441 -0.759 20 0 EBADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926338909 650386879 /nfs/dbraw/zinc/38/68/79/650386879.db2.gz AGSNSMPZFYJPMM-KEYYUXOJSA-N 2 0 338.452 -0.616 20 0 EBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000926349480 650388512 /nfs/dbraw/zinc/38/85/12/650388512.db2.gz HLYUQZZKNBHUKI-VBQJREDUSA-N 2 0 338.452 -0.759 20 0 EBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000926375838 650389913 /nfs/dbraw/zinc/38/99/13/650389913.db2.gz WYIFQULDMMOMPH-BBRMVZONSA-N 2 0 326.441 -0.712 20 0 EBADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC[C@]([NH3+])(CO)C3)C2)C1 ZINC000926410904 650391894 /nfs/dbraw/zinc/39/18/94/650391894.db2.gz BVPPSZNIIZZJKC-IAGOWNOFSA-N 2 0 338.452 -0.757 20 0 EBADRP C[C@@H]1[C@H](NC(=O)CC(O)CC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC000928440314 651519935 /nfs/dbraw/zinc/51/99/35/651519935.db2.gz KICBMESICPESGT-QHSBEEBCSA-N 2 0 340.468 -0.455 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1 ZINC000930008937 651577210 /nfs/dbraw/zinc/57/72/10/651577210.db2.gz IIQHUAOHPKZXFT-JJRVBVJISA-N 2 0 338.452 -0.767 20 0 EBADRP CN(CC[N@H+](C)C[C@@H](O)C[C@@]1(O)CCOC1)C1CC[NH+](C)CC1 ZINC000930113070 651584448 /nfs/dbraw/zinc/58/44/48/651584448.db2.gz IKQQANWTZCKBTL-IRXDYDNUSA-N 2 0 329.485 -0.153 20 0 EBADRP CN(CC[N@H+](C)C[C@H](O)C[C@]1(O)CCOC1)C1CC[NH+](C)CC1 ZINC000930113068 651584477 /nfs/dbraw/zinc/58/44/77/651584477.db2.gz IKQQANWTZCKBTL-IAGOWNOFSA-N 2 0 329.485 -0.153 20 0 EBADRP COC(=O)CCN1CC[C@H]([NH+]2CCC(O)(C[NH+](C)C)CC2)C1=O ZINC000931481526 651634176 /nfs/dbraw/zinc/63/41/76/651634176.db2.gz RGQYGVFEXGAGPA-ZDUSSCGKSA-N 2 0 327.425 -0.461 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2C(=O)NCC2(C)C)C1 ZINC000931667472 651641686 /nfs/dbraw/zinc/64/16/86/651641686.db2.gz KDTZEMICYJFHCH-UKRRQHHQSA-N 2 0 340.468 -0.426 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H]2C(=O)NCC2(C)C)C1 ZINC000931667470 651642165 /nfs/dbraw/zinc/64/21/65/651642165.db2.gz KDTZEMICYJFHCH-HIFRSBDPSA-N 2 0 340.468 -0.426 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)C[NH+](C)C ZINC000932467272 651681724 /nfs/dbraw/zinc/68/17/24/651681724.db2.gz IRWYUGSJVXJVCA-ZNMIVQPWSA-N 2 0 342.484 -0.132 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N(CC)[C@H]1CC[N@H+](C)C1)C[NH+](C)C ZINC000932469859 651683115 /nfs/dbraw/zinc/68/31/15/651683115.db2.gz PTIAWQWCUHEROE-UONOGXRCSA-N 2 0 328.457 -0.378 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N(C)CC1CC[NH+](C)CC1)C[NH+](C)C ZINC000932473532 651683450 /nfs/dbraw/zinc/68/34/50/651683450.db2.gz XIPPNRSNDQMWJE-HNNXBMFYSA-N 2 0 342.484 -0.131 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2CCN(C3C[NH+](C[C@H](C)O)C3)CC2)CC[N@@H+]1C ZINC000941414100 652723941 /nfs/dbraw/zinc/72/39/41/652723941.db2.gz NMFDNVKKGUAZJM-BHYGNILZSA-N 2 0 338.496 -0.074 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC000944517616 652825227 /nfs/dbraw/zinc/82/52/27/652825227.db2.gz WCPAORQTSBSRFK-CABCVRRESA-N 2 0 338.452 -0.480 20 0 EBADRP O=C(N1CCN(C2C[NH+](C[C@@H]3CCOC3)C2)CC1)C12CC[NH+](CC1)C2 ZINC000941641199 652850609 /nfs/dbraw/zinc/85/06/09/652850609.db2.gz ZGESPEPMVRRHKR-INIZCTEOSA-N 2 0 348.491 -0.053 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1)[NH+](C)C ZINC000941865717 652935002 /nfs/dbraw/zinc/93/50/02/652935002.db2.gz RVIFIIUJMZYDIO-RBSFLKMASA-N 2 0 340.468 -0.236 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCC(O)(C[NH2+][C@@H]3CCNC3=O)CC2)CC1 ZINC000946924124 653269804 /nfs/dbraw/zinc/26/98/04/653269804.db2.gz CBCOOPAAEIKWPU-CQSZACIVSA-N 2 0 338.452 -0.840 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1)[NH+](C)C ZINC000946925387 653270931 /nfs/dbraw/zinc/27/09/31/653270931.db2.gz PJIOMEQWUMINAM-KBPBESRZSA-N 2 0 340.468 -0.596 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(O)(C[NH2+][C@@H]3CCCNC3=O)CC2)C1 ZINC000946927787 653273814 /nfs/dbraw/zinc/27/38/14/653273814.db2.gz MYIVOPNCXVLNQG-UONOGXRCSA-N 2 0 338.452 -0.840 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCOC2(CC[NH+](CCO)CC2)C1 ZINC000949189578 653826679 /nfs/dbraw/zinc/82/66/79/653826679.db2.gz ZLBZALLUILRLIE-LSDHHAIUSA-N 2 0 325.453 -0.130 20 0 EBADRP CCc1cc(N2CCN3CC[NH2+]C[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164398611 718836531 /nfs/dbraw/zinc/83/65/31/718836531.db2.gz HPJRXOVFDGUGQW-HNNXBMFYSA-N 2 0 332.452 -0.031 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2CC3(C2)CC([NH2+]CCN2CCNC2=O)C3)C1 ZINC000965916223 724539487 /nfs/dbraw/zinc/53/94/87/724539487.db2.gz SLUINQILGFJGFC-RWQKBRBCSA-N 2 0 349.479 -0.020 20 0 EBADRP C[N@@H+]1CCO[C@@H]2CN(c3ncccc3C(=O)N3CC[NH2+]CC3)C[C@@H]21 ZINC001164672455 719409179 /nfs/dbraw/zinc/40/91/79/719409179.db2.gz RSITXKHORVIIRB-LSDHHAIUSA-N 2 0 331.420 -0.354 20 0 EBADRP NC(=O)COc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000392114737 719414954 /nfs/dbraw/zinc/41/49/54/719414954.db2.gz WMIOCGUPSNHRPM-AWEZNQCLSA-N 2 0 334.420 -0.162 20 0 EBADRP COCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000958076698 722301461 /nfs/dbraw/zinc/30/14/61/722301461.db2.gz JXHVPNHVENVHSE-HIFRSBDPSA-N 2 0 339.440 -0.886 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2C[N@H+](CCCF)C[C@@H]2O)n1 ZINC000958077382 722301586 /nfs/dbraw/zinc/30/15/86/722301586.db2.gz UIFRYKNSTRVAAU-HIFRSBDPSA-N 2 0 341.431 -0.173 20 0 EBADRP Cc1nn(C)cc1C[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC000958373517 722353945 /nfs/dbraw/zinc/35/39/45/722353945.db2.gz GVMUHJVBICNMCI-NVXWUHKLSA-N 2 0 349.479 -0.021 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NC[C@H]2C[N@H+](CC3CC3)C[C@@H]2O)cn1 ZINC000958466807 722371239 /nfs/dbraw/zinc/37/12/39/722371239.db2.gz BBCPNIFMUMRZPG-HOCLYGCPSA-N 2 0 335.452 -0.123 20 0 EBADRP COCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000958467385 722371274 /nfs/dbraw/zinc/37/12/74/722371274.db2.gz HRBGMTXRUXHJFM-DZGCQCFKSA-N 2 0 339.440 -0.886 20 0 EBADRP O=C(NC[C@H]1C[N@H+](CCCO)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC000958581696 722395118 /nfs/dbraw/zinc/39/51/18/722395118.db2.gz RLOMSAJJQFOCIR-IRXDYDNUSA-N 2 0 339.480 -0.100 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)C1CC1 ZINC001018966523 728757993 /nfs/dbraw/zinc/75/79/93/728757993.db2.gz LMLZTGCHKFBVGR-GXTWGEPZSA-N 2 0 337.424 -0.931 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21)[C@H]1C[NH+]2CCC1CC2 ZINC000959918958 722775341 /nfs/dbraw/zinc/77/53/41/722775341.db2.gz HEGUYUCXRBCMQS-CAOSSQGBSA-N 2 0 330.436 -0.334 20 0 EBADRP CN(C)Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@H]32)no1 ZINC000960715865 722855972 /nfs/dbraw/zinc/85/59/72/722855972.db2.gz XNTYVTAVLJUQQO-MYZSUADSSA-N 2 0 347.419 -0.325 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)c1ccn2c[nH+]cc2c1 ZINC000960839873 722871857 /nfs/dbraw/zinc/87/18/57/722871857.db2.gz VJAAKCIIQQFJQZ-LJISPDSOSA-N 2 0 325.372 -0.117 20 0 EBADRP C[N@H+](C[C@@H]1CCCN1C(=O)Cc1cnc[nH]1)[C@@H]1CCC(=O)NC1=O ZINC000960910583 722878765 /nfs/dbraw/zinc/87/87/65/722878765.db2.gz MKFLDVKNDVSGCB-QWHCGFSZSA-N 2 0 333.392 -0.320 20 0 EBADRP C[NH+]1CC[C@@H](C(=O)N2CCC3(CN(C(=O)[C@H]4CC[N@@H+](C)C4)C3)C2)C1 ZINC001019037766 728777651 /nfs/dbraw/zinc/77/76/51/728777651.db2.gz AYSJPFUWTGLCRL-CABCVRRESA-N 2 0 334.464 -0.049 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC000961664569 723054627 /nfs/dbraw/zinc/05/46/27/723054627.db2.gz QMVCRJFCUGEBQA-SFDCQRBFSA-N 2 0 334.420 -0.820 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CCN4CCCC4=O)C[C@H]32)C1 ZINC000961762992 723074595 /nfs/dbraw/zinc/07/45/95/723074595.db2.gz JPXDVSRESZVWOA-OIPACUDHSA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC000961769265 723076807 /nfs/dbraw/zinc/07/68/07/723076807.db2.gz DDHXHPOGQQDEQO-NYTXWWLZSA-N 2 0 335.452 -0.458 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCCC4)C[C@H]32)C1 ZINC000962297447 723220431 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HBIZRKXGXQYKIG-UEKIVWQMSA-N 2 0 348.447 -0.097 20 0 EBADRP Cn1cncc1CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000964117587 723816260 /nfs/dbraw/zinc/81/62/60/723816260.db2.gz GCLXJVRLQMJCBN-GJZGRUSLSA-N 2 0 349.435 -0.600 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2COCCN2C(=O)C[NH+]2CCCC2)C1 ZINC000964190678 723871423 /nfs/dbraw/zinc/87/14/23/723871423.db2.gz LTBQXAIGSBONFL-CABCVRRESA-N 2 0 338.452 -0.623 20 0 EBADRP Cn1nnnc1CN[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000969051984 725145395 /nfs/dbraw/zinc/14/53/95/725145395.db2.gz ZTWGKYIDYADLHN-CYBMUJFWSA-N 2 0 333.440 -0.223 20 0 EBADRP COc1ccncc1CC(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC000969069009 725147212 /nfs/dbraw/zinc/14/72/12/725147212.db2.gz DHQZLAXUIMWRKF-CQSZACIVSA-N 2 0 347.419 -0.152 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1)[NH+](C)C ZINC000969074724 725148065 /nfs/dbraw/zinc/14/80/65/725148065.db2.gz PVOFMAQPVOVLNZ-ZIAGYGMSSA-N 2 0 346.497 -0.447 20 0 EBADRP C[C@H](NC(=O)[C@H]1CN(C)CCO1)C1C[NH+](Cc2ccn(C)c(=O)c2)C1 ZINC000969442960 725181370 /nfs/dbraw/zinc/18/13/70/725181370.db2.gz VKWMGZXTHQBTLQ-XJKSGUPXSA-N 2 0 348.447 -0.348 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1)[NH+](C)C ZINC000969547430 725191712 /nfs/dbraw/zinc/19/17/12/725191712.db2.gz QXIBYIFTMWAYFB-SYQHCUMBSA-N 2 0 326.441 -0.891 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC000969954217 725231865 /nfs/dbraw/zinc/23/18/65/725231865.db2.gz BZAZWOLEDRAYRB-UONOGXRCSA-N 2 0 336.436 -0.332 20 0 EBADRP Cc1ncc2n1CC[C@@H](C(=O)N1CC[C@@H](NCc3nnnn3C)C1)C2 ZINC000969961227 725232336 /nfs/dbraw/zinc/23/23/36/725232336.db2.gz CEOGOPZTJKJWGD-CHWSQXEVSA-N 2 0 344.423 -0.332 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N2CC[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC000969965779 725233262 /nfs/dbraw/zinc/23/32/62/725233262.db2.gz XODUOIJZNCBXMO-CHWSQXEVSA-N 2 0 336.436 -0.286 20 0 EBADRP O=C(C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)N1CCOCC1 ZINC000970490145 725295749 /nfs/dbraw/zinc/29/57/49/725295749.db2.gz MCGLQMJALZEGSA-CQSZACIVSA-N 2 0 336.436 -0.869 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+][C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)CCO1 ZINC000970716313 725320236 /nfs/dbraw/zinc/32/02/36/725320236.db2.gz BPSYJSLTAAUFSH-LSDHHAIUSA-N 2 0 338.452 -0.480 20 0 EBADRP Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001051654849 735295390 /nfs/dbraw/zinc/29/53/90/735295390.db2.gz VRNAZNFKPKHJJB-OAHLLOKOSA-N 2 0 336.440 -0.384 20 0 EBADRP C[C@@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000972522775 725540695 /nfs/dbraw/zinc/54/06/95/725540695.db2.gz OXKZDKRKNFGACJ-JSGCOSHPSA-N 2 0 336.440 -0.535 20 0 EBADRP CC[C@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000972626839 725564900 /nfs/dbraw/zinc/56/49/00/725564900.db2.gz BMNJXQZFWPFXAY-UKRRQHHQSA-N 2 0 340.468 -0.106 20 0 EBADRP C[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000972627605 725565254 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/nfs/dbraw/zinc/33/80/65/726338065.db2.gz ALSSHGSRMFJKDL-NMNMXBMNSA-N 2 0 334.464 -0.147 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC([NH2+]CCN2CCNC2=O)CC1 ZINC000996561013 726418440 /nfs/dbraw/zinc/41/84/40/726418440.db2.gz NBVQZNWWNRZBNF-INIZCTEOSA-N 2 0 349.479 -0.066 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)nc1=O ZINC000996673265 726421791 /nfs/dbraw/zinc/42/17/91/726421791.db2.gz UVALKAMVXFRLQY-UHFFFAOYSA-N 2 0 336.440 -0.327 20 0 EBADRP Cn1[nH]c(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nc1=O ZINC000997605162 726457338 /nfs/dbraw/zinc/45/73/38/726457338.db2.gz DLANTIUZMNWRPX-ZDUSSCGKSA-N 2 0 336.440 -0.469 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]Cc3nnnn3C)CC2)C1 ZINC000998083124 726475246 /nfs/dbraw/zinc/47/52/46/726475246.db2.gz VDSFAHDLSPJAIO-CYBMUJFWSA-N 2 0 335.456 -0.120 20 0 EBADRP CC[C@@H](C(=O)N1CCC(C[NH2+][C@H]2CCC(=O)NC2=O)CC1)[NH+](C)C ZINC000998084578 726475413 /nfs/dbraw/zinc/47/54/13/726475413.db2.gz CWFFWOZMNWOGRN-KBPBESRZSA-N 2 0 338.452 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ZINC001000518893 726569460 /nfs/dbraw/zinc/56/94/60/726569460.db2.gz RVUXIOKCOYRPJQ-OAHLLOKOSA-N 2 0 348.447 -0.022 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)nc1=O ZINC001000713726 726575864 /nfs/dbraw/zinc/57/58/64/726575864.db2.gz WRVOWCZJEQPVQO-LBPRGKRZSA-N 2 0 334.424 -0.715 20 0 EBADRP Cc1nc[nH]c1CC(=O)N1CCC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001000797666 726578298 /nfs/dbraw/zinc/57/82/98/726578298.db2.gz QRJHRXYAYSDUDO-RYUDHWBXSA-N 2 0 333.392 -0.354 20 0 EBADRP CCN1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001000968665 726585697 /nfs/dbraw/zinc/58/56/97/726585697.db2.gz KMUXFMBEJANBEY-GJZGRUSLSA-N 2 0 338.452 -0.480 20 0 EBADRP CC[C@H](C(N)=O)[NH+]1CCC(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001001532412 726610797 /nfs/dbraw/zinc/61/07/97/726610797.db2.gz MLQDRBDKJLIWIL-BPLDGKMQSA-N 2 0 340.468 -0.202 20 0 EBADRP O=C(NC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001002834087 726649738 /nfs/dbraw/zinc/64/97/38/726649738.db2.gz RQXVNEKFXXTLNB-CABCVRRESA-N 2 0 348.447 -0.286 20 0 EBADRP O=C(NC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001002834100 726649816 /nfs/dbraw/zinc/64/98/16/726649816.db2.gz RQXVNEKFXXTLNB-LSDHHAIUSA-N 2 0 348.447 -0.286 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)C1 ZINC001003626621 726682571 /nfs/dbraw/zinc/68/25/71/726682571.db2.gz SNMNCWVGVJIOLC-JSGCOSHPSA-N 2 0 336.436 -0.286 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)C1 ZINC001004149083 726701512 /nfs/dbraw/zinc/70/15/12/726701512.db2.gz DREFRJGELZMANP-GDBMZVCRSA-N 2 0 335.452 -0.224 20 0 EBADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001006457333 726769940 /nfs/dbraw/zinc/76/99/40/726769940.db2.gz OOIDWAILSBVGFC-KBPBESRZSA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC001051823692 735415956 /nfs/dbraw/zinc/41/59/56/735415956.db2.gz CUMLILARUDGERW-ZFWWWQNUSA-N 2 0 336.440 -0.384 20 0 EBADRP C[NH+]1CCC(CC(=O)N2CCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001051857371 735430459 /nfs/dbraw/zinc/43/04/59/735430459.db2.gz GIVASKLZITUCJI-CABCVRRESA-N 2 0 338.452 -0.576 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCO[C@H](C[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001051931425 735469210 /nfs/dbraw/zinc/46/92/10/735469210.db2.gz AMIYMFMOMSAIQY-HUUCEWRRSA-N 2 0 348.451 -0.322 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CCCN3C(=O)CNC3=O)C2)C1 ZINC001016248648 728446146 /nfs/dbraw/zinc/44/61/46/728446146.db2.gz CLDMLXBJKBTJCS-QWHCGFSZSA-N 2 0 337.424 -0.930 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001018854034 728695605 /nfs/dbraw/zinc/69/56/05/728695605.db2.gz DIDULWNLBBKBDZ-KBPBESRZSA-N 2 0 349.435 -0.930 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001019655717 728964648 /nfs/dbraw/zinc/96/46/48/728964648.db2.gz XJVYSJRHIOJXTD-STQMWFEESA-N 2 0 337.424 -0.930 20 0 EBADRP CCn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001020178806 729092501 /nfs/dbraw/zinc/09/25/01/729092501.db2.gz FRNILRSFFPONSL-AJNGGQMLSA-N 2 0 348.451 -0.102 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)nc1=O ZINC001020289289 729125390 /nfs/dbraw/zinc/12/53/90/729125390.db2.gz WVPMLCBPPPMKTH-XDQVBPFNSA-N 2 0 348.451 -0.138 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CC[N@@H+]1C ZINC001020509532 729189384 /nfs/dbraw/zinc/18/93/84/729189384.db2.gz XJSILVWUNGFNMD-PEDHHIEDSA-N 2 0 336.436 -0.241 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001020592433 729206577 /nfs/dbraw/zinc/20/65/77/729206577.db2.gz FPKMSDRSNQLGGB-KBUPBQIOSA-N 2 0 338.452 -0.720 20 0 EBADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001020603479 729209242 /nfs/dbraw/zinc/20/92/42/729209242.db2.gz BKWKUAHXTVYXRS-AAVRWANBSA-N 2 0 346.435 -0.214 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)nc1=O ZINC001020719704 729222976 /nfs/dbraw/zinc/22/29/76/729222976.db2.gz PHUCCLXAHHAZIL-XDQVBPFNSA-N 2 0 348.451 -0.138 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001020929123 729258076 /nfs/dbraw/zinc/25/80/76/729258076.db2.gz URTJWZYYRMJWGJ-AJNGGQMLSA-N 2 0 343.493 0.000 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001022067866 729451793 /nfs/dbraw/zinc/45/17/93/729451793.db2.gz ACHYYIFMTMDHMI-RFQIPJPRSA-N 2 0 336.436 -0.099 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001022717182 729524498 /nfs/dbraw/zinc/52/44/98/729524498.db2.gz SDDQTGNBUZYMOZ-MQYQWHSLSA-N 2 0 336.436 -0.430 20 0 EBADRP C[N@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1)C1CCC1 ZINC001023207692 729637349 /nfs/dbraw/zinc/63/73/49/729637349.db2.gz CKGVBAOERBAXSJ-RBSFLKMASA-N 2 0 338.452 -0.747 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001023795483 729800910 /nfs/dbraw/zinc/80/09/10/729800910.db2.gz IVMOJTNUSYDGRL-KBUPBQIOSA-N 2 0 338.452 -0.890 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nc1=O ZINC001023890043 729812401 /nfs/dbraw/zinc/81/24/01/729812401.db2.gz VKUIXIKVDHHMLG-QWHCGFSZSA-N 2 0 336.440 -0.469 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001023988875 729824868 /nfs/dbraw/zinc/82/48/68/729824868.db2.gz HBVWWXGSUDWDOK-HIFRSBDPSA-N 2 0 347.467 -0.120 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)nc1=O ZINC001025159619 730008399 /nfs/dbraw/zinc/00/83/99/730008399.db2.gz HQILXKWCBZLSEG-CHWSQXEVSA-N 2 0 336.440 -0.469 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)C1 ZINC001025686731 730071154 /nfs/dbraw/zinc/07/11/54/730071154.db2.gz IRSZOLLMTQQDOR-RRFJBIMHSA-N 2 0 338.452 -0.888 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001025708183 730076769 /nfs/dbraw/zinc/07/67/69/730076769.db2.gz MNSWGGHHLJRMMP-SSZWKKLZSA-N 2 0 330.436 -0.094 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCC(=O)NC4=O)C[C@H]32)CC[N@@H+]1C ZINC001025795071 730089713 /nfs/dbraw/zinc/08/97/13/730089713.db2.gz PGQWYMIBQUYRCV-FCUGXXHSSA-N 2 0 348.447 -0.432 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025809051 730093911 /nfs/dbraw/zinc/09/39/11/730093911.db2.gz VFZXXTOGQHCVQH-HCZIRCDUSA-N 2 0 348.447 -0.288 20 0 EBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001025812876 730095129 /nfs/dbraw/zinc/09/51/29/730095129.db2.gz VOHQYNYSCSMPRR-ARKGTOAJSA-N 2 0 334.464 -0.101 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025820326 730096725 /nfs/dbraw/zinc/09/67/25/730096725.db2.gz MZETWQHZBABXKE-JYKNGBAOSA-N 2 0 334.420 -0.678 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025820328 730097066 /nfs/dbraw/zinc/09/70/66/730097066.db2.gz MZETWQHZBABXKE-WHRXGGIHSA-N 2 0 334.420 -0.678 20 0 EBADRP COC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908382 730104882 /nfs/dbraw/zinc/10/48/82/730104882.db2.gz DSPMHCLWVUFWKO-YEPCUASBSA-N 2 0 335.448 -0.069 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001026043417 730117612 /nfs/dbraw/zinc/11/76/12/730117612.db2.gz RRTOERUUWWSRRF-YXISZKLHSA-N 2 0 347.463 -0.225 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001026044102 730117783 /nfs/dbraw/zinc/11/77/83/730117783.db2.gz KNHDXQDIHZZQAI-BTFPBAQTSA-N 2 0 335.452 -0.744 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@@H]3C2)n1 ZINC001026270124 730134804 /nfs/dbraw/zinc/13/48/04/730134804.db2.gz XKVHYLDPSUTDMO-MJBXVCDLSA-N 2 0 348.451 -0.630 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CCO)[C@H]3C2)cn1 ZINC001026373839 730141359 /nfs/dbraw/zinc/14/13/59/730141359.db2.gz UQWNKOMHSGFYHQ-CWRNSKLLSA-N 2 0 335.452 -0.123 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnnn3C)C2)CC[N@@H+]1C ZINC001026853532 730163616 /nfs/dbraw/zinc/16/36/16/730163616.db2.gz JXTJYGDLYLVWNY-HZSPNIEDSA-N 2 0 335.456 -0.122 20 0 EBADRP C[N@H+](CC(=O)N1CC[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC001026889103 730167158 /nfs/dbraw/zinc/16/71/58/730167158.db2.gz SJJGJGBFSMDEPK-OCCSQVGLSA-N 2 0 336.436 -0.286 20 0 EBADRP C[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001027035626 730184521 /nfs/dbraw/zinc/18/45/21/730184521.db2.gz HQWVIXYSIVYNTH-JSGCOSHPSA-N 2 0 336.436 -0.429 20 0 EBADRP C[C@H]([NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)c1nnnn1C ZINC001027173260 730195037 /nfs/dbraw/zinc/19/50/37/730195037.db2.gz NJRIMVNVDJMJJZ-QWHCGFSZSA-N 2 0 333.440 -0.195 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCN1C(=O)CCC1=O ZINC001027790701 730238992 /nfs/dbraw/zinc/23/89/92/730238992.db2.gz USUNNRUDDNUPLX-ZIAGYGMSSA-N 2 0 336.436 -0.190 20 0 EBADRP O=C(NC[C@H]1CCC[N@@H+]1CCN1C(=O)CCC1=O)C12CC[NH+](CC1)C2 ZINC001028267352 730279070 /nfs/dbraw/zinc/27/90/70/730279070.db2.gz IHHWVWAMCMUDRK-CQSZACIVSA-N 2 0 348.447 -0.188 20 0 EBADRP CCn1nncc1CN1CC[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001028466255 730297259 /nfs/dbraw/zinc/29/72/59/730297259.db2.gz PCJOEAKLBJBLCQ-HIFRSBDPSA-N 2 0 336.440 -0.433 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3[C@@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001029313503 730398307 /nfs/dbraw/zinc/39/83/07/730398307.db2.gz DQVQVSBSKVGIMS-UXXRCYHCSA-N 2 0 348.447 -0.193 20 0 EBADRP C[N@H+](CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H]1CCC(=O)NC1=O)C1CCC1 ZINC001029339980 730399862 /nfs/dbraw/zinc/39/98/62/730399862.db2.gz SYUCETLUFMCZPY-QLFBSQMISA-N 2 0 348.447 -0.049 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3[C@H]2CCC(=O)NC2=O)C1 ZINC001029583082 730411750 /nfs/dbraw/zinc/41/17/50/730411750.db2.gz MNZWZTFVAKKICR-MQYQWHSLSA-N 2 0 334.420 -0.582 20 0 EBADRP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[C@@H](C1)N2CCN1C(=O)CNC1=O ZINC001029586029 730412008 /nfs/dbraw/zinc/41/20/08/730412008.db2.gz ITUDHYIRASHZRA-OKILXGFUSA-N 2 0 349.435 -0.691 20 0 EBADRP CCN1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CCn2cncn2)C1 ZINC001029589292 730412200 /nfs/dbraw/zinc/41/22/00/730412200.db2.gz FHHPSMAZKAZKHO-OWCLPIDISA-N 2 0 348.451 -0.326 20 0 EBADRP CCN1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3[C@@H]2CCNC2=O)C1 ZINC001029591736 730412247 /nfs/dbraw/zinc/41/22/47/730412247.db2.gz IQXRTGYGDDCIAH-LXTVHRRPSA-N 2 0 336.436 -0.729 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCN2CCNC2=O)C1 ZINC001032205521 730829267 /nfs/dbraw/zinc/82/92/67/730829267.db2.gz AVZRDZCYZOJJDP-OAHLLOKOSA-N 2 0 337.468 -0.066 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](CCN3CCNC3=O)C2)C1 ZINC001033420091 731021192 /nfs/dbraw/zinc/02/11/92/731021192.db2.gz LXLJRKWUAXMLEI-CABCVRRESA-N 2 0 337.468 -0.114 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[C@H]([NH2+]CC(N)=O)CC2)cn1 ZINC001034754808 731155589 /nfs/dbraw/zinc/15/55/89/731155589.db2.gz UAKZUXKKBXVTEX-HDJSIYSDSA-N 2 0 336.440 -0.439 20 0 EBADRP O=C(N1CCC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1=O)C12CC[NH+](CC1)C2 ZINC001035103248 731186253 /nfs/dbraw/zinc/18/62/53/731186253.db2.gz XKDVPHPCIIRBNS-OLZOCXBDSA-N 2 0 334.420 -0.532 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001040105331 731601782 /nfs/dbraw/zinc/60/17/82/731601782.db2.gz YBNALLDVSJKPBZ-RHSMWYFYSA-N 2 0 340.468 -0.642 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001040116840 731606841 /nfs/dbraw/zinc/60/68/41/731606841.db2.gz FDRMWJZFQIUECR-INIZCTEOSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001040116820 731606879 /nfs/dbraw/zinc/60/68/79/731606879.db2.gz DPWMIGFGGADATN-DOTOQJQBSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001040200099 731641342 /nfs/dbraw/zinc/64/13/42/731641342.db2.gz DYHWFKJVNCHNFN-CZUORRHYSA-N 2 0 328.457 -0.642 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001040447728 731737642 /nfs/dbraw/zinc/73/76/42/731737642.db2.gz SQVWOWPXQDEZDP-RHSMWYFYSA-N 2 0 342.484 -0.252 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001040449986 731738859 /nfs/dbraw/zinc/73/88/59/731738859.db2.gz NKFPJNOTQCBBJV-WMLDXEAASA-N 2 0 340.468 -0.641 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001040494209 731758009 /nfs/dbraw/zinc/75/80/09/731758009.db2.gz CBOPHZCWMWLHJG-PBHICJAKSA-N 2 0 340.468 -0.498 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001061427659 738538039 /nfs/dbraw/zinc/53/80/39/738538039.db2.gz DFYVKPBGZDWFJC-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040718426 731845846 /nfs/dbraw/zinc/84/58/46/731845846.db2.gz KLAPCSPPLVGDLH-MRXNPFEDSA-N 2 0 328.457 -0.641 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001040797463 731878632 /nfs/dbraw/zinc/87/86/32/731878632.db2.gz GTAMELNCWXGHQM-KRWDZBQOSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040797399 731878665 /nfs/dbraw/zinc/87/86/65/731878665.db2.gz FYYWNLXHAPEPRS-PBHICJAKSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040797806 731879314 /nfs/dbraw/zinc/87/93/14/731879314.db2.gz LPJJNQZXJFWCQM-MRXNPFEDSA-N 2 0 328.457 -0.641 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001040798242 731879341 /nfs/dbraw/zinc/87/93/41/731879341.db2.gz OUWFHNKZPMMZHY-QGZVFWFLSA-N 2 0 338.452 -0.887 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001040798624 731879812 /nfs/dbraw/zinc/87/98/12/731879812.db2.gz SPZIDXRUKGRUSS-INIZCTEOSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001040799393 731880133 /nfs/dbraw/zinc/88/01/33/731880133.db2.gz ZEKTUKCBBMJJOS-DOTOQJQBSA-N 2 0 340.468 -0.642 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)CC)C1 ZINC001040902305 731911372 /nfs/dbraw/zinc/91/13/72/731911372.db2.gz QCVGNOFXNKBSLA-QGZVFWFLSA-N 2 0 342.484 -0.250 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041286377 732066334 /nfs/dbraw/zinc/06/63/34/732066334.db2.gz LCGNMTGYEVSRTD-CRAIPNDOSA-N 2 0 334.464 -0.001 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041835414 732236491 /nfs/dbraw/zinc/23/64/91/732236491.db2.gz SVTCOMULCMPFJN-DOTOQJQBSA-N 2 0 325.453 -0.129 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001042103692 732313998 /nfs/dbraw/zinc/31/39/98/732313998.db2.gz HEKPIOGADTUBGJ-CQSZACIVSA-N 2 0 338.452 -0.888 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001042104937 732318041 /nfs/dbraw/zinc/31/80/41/732318041.db2.gz UWMCYOKTCCSBLE-KBPBESRZSA-N 2 0 338.452 -0.746 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001061595968 738635463 /nfs/dbraw/zinc/63/54/63/738635463.db2.gz RUUAQHCMDNGUJS-LSDHHAIUSA-N 2 0 340.468 -0.378 20 0 EBADRP CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1)[NH+](C)C ZINC001043115583 732765162 /nfs/dbraw/zinc/76/51/62/732765162.db2.gz IKZKSNSSFVQSHT-UONOGXRCSA-N 2 0 340.468 -0.786 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001043119887 732769902 /nfs/dbraw/zinc/76/99/02/732769902.db2.gz GMUMSYYEWPRKKX-KBPBESRZSA-N 2 0 338.452 -0.888 20 0 EBADRP CC[C@@H](C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1)[NH+](C)C ZINC001043124985 732773281 /nfs/dbraw/zinc/77/32/81/732773281.db2.gz YZNNMLGEUFVXHY-ZDUSSCGKSA-N 2 0 326.441 -0.888 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)C1 ZINC001043127271 732775702 /nfs/dbraw/zinc/77/57/02/732775702.db2.gz IIOIHQZHPAHLRS-AWEZNQCLSA-N 2 0 338.452 -0.887 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC001061603486 738644618 /nfs/dbraw/zinc/64/46/18/738644618.db2.gz AWQKMKYIRFBCOV-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001043271972 732851795 /nfs/dbraw/zinc/85/17/95/732851795.db2.gz MIIFKETYZVBAKQ-UONOGXRCSA-N 2 0 340.468 -0.642 20 0 EBADRP Cc1cncn1CC(=O)N(C)C1CN(C[C@H](O)Cn2cccn2)C1 ZINC001043362921 732891523 /nfs/dbraw/zinc/89/15/23/732891523.db2.gz XUVAEHCOVXRHSV-HNNXBMFYSA-N 2 0 332.408 -0.408 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001043463659 732955538 /nfs/dbraw/zinc/95/55/38/732955538.db2.gz PGWKUNDPKNZNMO-HNNXBMFYSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043613724 733023984 /nfs/dbraw/zinc/02/39/84/733023984.db2.gz WTQNQRCGOURZOO-UHFFFAOYSA-N 2 0 328.457 -0.642 20 0 EBADRP CC[C@H](C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1)[NH+](C)C ZINC001043678138 733055526 /nfs/dbraw/zinc/05/55/26/733055526.db2.gz OTWHHSSRLRHCAW-CYBMUJFWSA-N 2 0 326.441 -0.888 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N2CC(O)(CNC(=O)Cn3ccnc3)C2)CC[N@@H+]1C ZINC001043712674 733072914 /nfs/dbraw/zinc/07/29/14/733072914.db2.gz AVBHMNRIUVGNEJ-KBPBESRZSA-N 2 0 349.435 -0.697 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001044298380 733364472 /nfs/dbraw/zinc/36/44/72/733364472.db2.gz KWWDEHYSOUHIPM-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001044298868 733365611 /nfs/dbraw/zinc/36/56/11/733365611.db2.gz QJLSVDINPIDNAQ-OAHLLOKOSA-N 2 0 340.468 -0.642 20 0 EBADRP C[C@H]1C[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001044822666 733520524 /nfs/dbraw/zinc/52/05/24/733520524.db2.gz MEKHLVRBXBUITP-QWHCGFSZSA-N 2 0 333.440 -0.225 20 0 EBADRP C[NH+](C)C1(C(=O)N2CCC[C@H]2C[NH2+][C@H]2CCC(=O)NC2=O)CCC1 ZINC001045068400 733570859 /nfs/dbraw/zinc/57/08/59/733570859.db2.gz JXZJUFKSBDJYGG-STQMWFEESA-N 2 0 336.436 -0.144 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@@H]1COCCN1C(=O)CC[NH+](C)C)[NH+](C)C ZINC001061739695 738731570 /nfs/dbraw/zinc/73/15/70/738731570.db2.gz DBZIRJCFOPDYSC-GDBMZVCRSA-N 2 0 342.484 -0.132 20 0 EBADRP CN1CCO[C@@H](C(=O)NC2(C)CC[NH+]([C@@H]3CCCNC3=O)CC2)C1 ZINC001045397813 733686380 /nfs/dbraw/zinc/68/63/80/733686380.db2.gz PGBBFFHVFQSZOI-ZIAGYGMSSA-N 2 0 338.452 -0.434 20 0 EBADRP CN1CCO[C@@H](C(=O)NC2(C)CCN(CC(=O)NC3CC3)CC2)C1 ZINC001045398153 733686755 /nfs/dbraw/zinc/68/67/55/733686755.db2.gz XORMMNRRNIKTOF-CQSZACIVSA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@H](C(=O)N(C)C)[NH+]1CCC(C)(NC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001045397808 733686809 /nfs/dbraw/zinc/68/68/09/733686809.db2.gz OWYREGXMSLWVQQ-ZIAGYGMSSA-N 2 0 340.468 -0.236 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045717114 733759141 /nfs/dbraw/zinc/75/91/41/733759141.db2.gz USMZNHXIOIGCKZ-OKILXGFUSA-N 2 0 340.468 -0.500 20 0 EBADRP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001046075894 733850580 /nfs/dbraw/zinc/85/05/80/733850580.db2.gz HRWBALCZXQWNJD-GJZGRUSLSA-N 2 0 349.479 -0.826 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3[nH]cnc3C)CC2)C1 ZINC001046080801 733853140 /nfs/dbraw/zinc/85/31/40/733853140.db2.gz LCZLOAPBSIHJAK-AWEZNQCLSA-N 2 0 348.451 -0.775 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001046082737 733855411 /nfs/dbraw/zinc/85/54/11/733855411.db2.gz WDVULPQGKPXHSH-OAHLLOKOSA-N 2 0 337.468 -0.953 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CCN2C(=O)CNC2=O)C1 ZINC001046197721 733875503 /nfs/dbraw/zinc/87/55/03/733875503.db2.gz PCIQMCAFWXFIGU-BLLLJJGKSA-N 2 0 337.424 -0.787 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001046531619 733956321 /nfs/dbraw/zinc/95/63/21/733956321.db2.gz RCCHJTZCYMDMGW-HNNXBMFYSA-N 2 0 340.468 -0.642 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCN3CCNC3=O)C2)CC1 ZINC001046595355 733977646 /nfs/dbraw/zinc/97/76/46/733977646.db2.gz FVFDERPPRDDKGM-KRWDZBQOSA-N 2 0 337.468 -0.066 20 0 EBADRP CC[C@H](C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1)[NH+](C)C ZINC001046670963 733994906 /nfs/dbraw/zinc/99/49/06/733994906.db2.gz BZCDSBLIMDHSRO-UONOGXRCSA-N 2 0 340.468 -0.500 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001046677368 733999666 /nfs/dbraw/zinc/99/96/66/733999666.db2.gz TXAUALUGUFTBLX-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001046685485 734004488 /nfs/dbraw/zinc/00/44/88/734004488.db2.gz UKEYEYFCYMXSIX-AWEZNQCLSA-N 2 0 340.468 -0.642 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@]2(C)CC[NH+](CCN3C(=O)CNC3=O)C2)C1 ZINC001046839090 734038327 /nfs/dbraw/zinc/03/83/27/734038327.db2.gz ORYANDXKFCVZJT-BLLLJJGKSA-N 2 0 337.424 -0.930 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001061859060 738789306 /nfs/dbraw/zinc/78/93/06/738789306.db2.gz DDNJYZVBAMROMV-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP CC[C@@H](C(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C)[NH+](C)C ZINC001061859346 738789636 /nfs/dbraw/zinc/78/96/36/738789636.db2.gz JXQDMBREGSJTIK-KBPBESRZSA-N 2 0 328.457 -0.378 20 0 EBADRP C[C@@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001047453416 734203273 /nfs/dbraw/zinc/20/32/73/734203273.db2.gz XIMHRVBGFIGDMM-KCXAZCMYSA-N 2 0 345.403 -0.235 20 0 EBADRP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001047595298 734273510 /nfs/dbraw/zinc/27/35/10/734273510.db2.gz AZTMRFAHEKHTLA-XIRDDKMYSA-N 2 0 349.479 -0.192 20 0 EBADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001048558836 734444586 /nfs/dbraw/zinc/44/45/86/734444586.db2.gz YJXJWPVCFINVHJ-RDBSUJKOSA-N 2 0 326.441 -0.938 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@@H]2C1 ZINC001048724393 734483879 /nfs/dbraw/zinc/48/38/79/734483879.db2.gz YXJVNZWJIOGHJK-QLFBSQMISA-N 2 0 348.447 -0.380 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CCN4CCNC4=O)C[C@@H]3C2)CC[N@@H+]1C ZINC001048829100 734528254 /nfs/dbraw/zinc/52/82/54/734528254.db2.gz HDSDDXRNVFDQAE-LVQVYYBASA-N 2 0 349.479 -0.258 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC4CC4)C[C@@H]3C2)CC[N@@H+]1C ZINC001048829176 734528270 /nfs/dbraw/zinc/52/82/70/734528270.db2.gz KNRVCPLOPJMDTE-HGTKMLMNSA-N 2 0 334.464 -0.005 20 0 EBADRP CN(C(=O)C[NH+]1CCCC1)[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001048873390 734549670 /nfs/dbraw/zinc/54/96/70/734549670.db2.gz FECZMIHINRARLS-GJZGRUSLSA-N 2 0 340.468 -0.546 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001048896300 734561465 /nfs/dbraw/zinc/56/14/65/734561465.db2.gz YEXXMWGNFQNBJO-BARDWOONSA-N 2 0 348.447 -0.334 20 0 EBADRP CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1O)[NH+](C)C ZINC001049027933 734620350 /nfs/dbraw/zinc/62/03/50/734620350.db2.gz ZVBRGNOHKKHKOX-KBXIAJHMSA-N 2 0 340.468 -0.692 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@@H]2C1)[NH+](C)C ZINC001049067335 734635330 /nfs/dbraw/zinc/63/53/30/734635330.db2.gz WLUPXKAQUATMIF-YVSFHVDLSA-N 2 0 349.479 -0.026 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]1O ZINC001049149540 734663307 /nfs/dbraw/zinc/66/33/07/734663307.db2.gz HQLQYJHITRYTRW-ILXRZTDVSA-N 2 0 342.484 -0.302 20 0 EBADRP Cn1nncc1C[N@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001049173183 734675871 /nfs/dbraw/zinc/67/58/71/734675871.db2.gz LNWMPVOHGGWMRE-OKILXGFUSA-N 2 0 330.436 -0.199 20 0 EBADRP C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001049215678 734687484 /nfs/dbraw/zinc/68/74/84/734687484.db2.gz IPEAXKIFIHDYKF-XUWVNRHRSA-N 2 0 325.453 -0.274 20 0 EBADRP C[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001049216084 734688216 /nfs/dbraw/zinc/68/82/16/734688216.db2.gz SHSPMYRPWTXHSN-LJISPDSOSA-N 2 0 338.452 -0.781 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H]1CCC(=O)NC1=O)CC2 ZINC001050461022 734902927 /nfs/dbraw/zinc/90/29/27/734902927.db2.gz CPLWCSCDEWKRHA-ZIAGYGMSSA-N 2 0 348.447 -0.190 20 0 EBADRP CNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001050521903 734917910 /nfs/dbraw/zinc/91/79/10/734917910.db2.gz VRQHUNPUVIAIRJ-OAHLLOKOSA-N 2 0 334.464 -0.001 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC3(C2)CC[NH+](CC(N)=O)CC3)n1 ZINC001050525154 734918787 /nfs/dbraw/zinc/91/87/87/734918787.db2.gz SUZRBGFJPCQQLU-UHFFFAOYSA-N 2 0 348.451 -0.532 20 0 EBADRP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CCO2)nn1 ZINC001051493741 735196928 /nfs/dbraw/zinc/19/69/28/735196928.db2.gz QFIGINRYBHFMCR-HUUCEWRRSA-N 2 0 349.435 -0.104 20 0 EBADRP O=C(N1CC[C@H](N2CC[NH+](CCCO)CC2)C1)C12CC[NH+](CC1)C2 ZINC001052108751 735551342 /nfs/dbraw/zinc/55/13/42/735551342.db2.gz QOXXHTDOHAEDTA-INIZCTEOSA-N 2 0 336.480 -0.317 20 0 EBADRP O=C(N[C@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1)C12CC[NH+](CC1)C2 ZINC001052871230 735708467 /nfs/dbraw/zinc/70/84/67/735708467.db2.gz FGOIKPCFXCJMMH-KBPBESRZSA-N 2 0 348.447 -0.142 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001052936976 735725273 /nfs/dbraw/zinc/72/52/73/735725273.db2.gz GTKUXSFLRZIMJE-UONOGXRCSA-N 2 0 336.436 -0.142 20 0 EBADRP CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)[NH+](C)C ZINC001054297959 736187537 /nfs/dbraw/zinc/18/75/37/736187537.db2.gz CIVUTGVAFJOLNV-UMVBOHGHSA-N 2 0 338.452 -0.042 20 0 EBADRP COCC(=O)NCC[NH+]1CCC(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001055496128 736357783 /nfs/dbraw/zinc/35/77/83/736357783.db2.gz CZUGATXGALYZBT-UHFFFAOYSA-N 2 0 340.468 -0.186 20 0 EBADRP CO[C@@H](C)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055534017 736372253 /nfs/dbraw/zinc/37/22/53/736372253.db2.gz BCWTVLLEBOUCCS-UONOGXRCSA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH+](C)CCC(=O)NC1CC[NH+](CCNC(=O)CC(C)(C)O)CC1 ZINC001055569455 736385962 /nfs/dbraw/zinc/38/59/62/736385962.db2.gz WMCZFBRAWZJVGW-UHFFFAOYSA-N 2 0 342.484 -0.204 20 0 EBADRP CC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001055585619 736393935 /nfs/dbraw/zinc/39/39/35/736393935.db2.gz CYXOGULIVSJMGY-HOTGVXAUSA-N 2 0 338.452 -0.434 20 0 EBADRP CC(C)[C@@H](O)C(=O)NC1CC[NH+](CCNC(=O)CC[NH+](C)C)CC1 ZINC001055633130 736417435 /nfs/dbraw/zinc/41/74/35/736417435.db2.gz BTOUVPPJRHUFCO-MRXNPFEDSA-N 2 0 342.484 -0.348 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001055954785 736569522 /nfs/dbraw/zinc/56/95/22/736569522.db2.gz XIATVWFYQGSQRU-YOEHRIQHSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001056103381 736642306 /nfs/dbraw/zinc/64/23/06/736642306.db2.gz CFWKOMHWHWYUNI-YOEHRIQHSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001056106850 736644002 /nfs/dbraw/zinc/64/40/02/736644002.db2.gz XFJNKFUXURWGRW-WMLDXEAASA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001057212364 737084544 /nfs/dbraw/zinc/08/45/44/737084544.db2.gz MURQFZVJYGELGT-CABCVRRESA-N 2 0 340.468 -0.642 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001057212367 737084628 /nfs/dbraw/zinc/08/46/28/737084628.db2.gz MURQFZVJYGELGT-HUUCEWRRSA-N 2 0 340.468 -0.642 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001057636619 737376894 /nfs/dbraw/zinc/37/68/94/737376894.db2.gz VLQVKZPPILVLJA-LSDHHAIUSA-N 2 0 340.468 -0.785 20 0 EBADRP C[NH+](C)C1(C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)CCC1 ZINC001057640702 737381581 /nfs/dbraw/zinc/38/15/81/737381581.db2.gz NSJGZMPIJTVGTG-UHFFFAOYSA-N 2 0 340.468 -0.496 20 0 EBADRP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001057659539 737397077 /nfs/dbraw/zinc/39/70/77/737397077.db2.gz SIWWTFPCBZFZIM-OAHLLOKOSA-N 2 0 342.484 -0.393 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(CCO)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001057863231 737484025 /nfs/dbraw/zinc/48/40/25/737484025.db2.gz KBDJTJHCHVNUIQ-OAHLLOKOSA-N 2 0 342.484 -0.395 20 0 EBADRP C[NH+](C)CCC(=O)NCCN(CCO)C(=O)C1([NH+](C)C)CCC1 ZINC001057875123 737494000 /nfs/dbraw/zinc/49/40/00/737494000.db2.gz KZSDYTRCRCFJDH-UHFFFAOYSA-N 2 0 328.457 -0.641 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001057876597 737496399 /nfs/dbraw/zinc/49/63/99/737496399.db2.gz NKWLHYUNAUOJPA-LSDHHAIUSA-N 2 0 340.468 -0.785 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N(CCO)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001057942324 737545939 /nfs/dbraw/zinc/54/59/39/737545939.db2.gz ASBJNLZWOPFANP-CQSZACIVSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N(CCO)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001057942591 737545946 /nfs/dbraw/zinc/54/59/46/737545946.db2.gz MUJCTRVVBFHDMG-AWEZNQCLSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001057942592 737546072 /nfs/dbraw/zinc/54/60/72/737546072.db2.gz MUJCTRVVBFHDMG-CQSZACIVSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[C@H](C(=O)N(CCO)CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)C ZINC001057975467 737572616 /nfs/dbraw/zinc/57/26/16/737572616.db2.gz SYGHMBJULLBSEU-LSDHHAIUSA-N 2 0 342.484 -0.395 20 0 EBADRP C[NH+]1CCC(C(=O)N(CCO)CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001057994301 737582667 /nfs/dbraw/zinc/58/26/67/737582667.db2.gz REZNYGFECSLWOK-UHFFFAOYSA-N 2 0 340.468 -0.639 20 0 EBADRP CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC001058038955 737601211 /nfs/dbraw/zinc/60/12/11/737601211.db2.gz LKMHFFMNHWQRBW-GJZGRUSLSA-N 2 0 342.484 -0.252 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1CCCC[NH+]1C ZINC001058039255 737601671 /nfs/dbraw/zinc/60/16/71/737601671.db2.gz UPTQQUFNHQUQKO-OAHLLOKOSA-N 2 0 342.484 -0.250 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001058255225 737737436 /nfs/dbraw/zinc/73/74/36/737737436.db2.gz HNKZYOWLWYCMBQ-OAHLLOKOSA-N 2 0 342.484 -0.393 20 0 EBADRP C[NH+](C)CC1(C(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001058601817 737917078 /nfs/dbraw/zinc/91/70/78/737917078.db2.gz QSTJIVMUOOZPQR-CQSZACIVSA-N 2 0 340.468 -0.783 20 0 EBADRP C[NH+](C)CCC(=O)NCCN(CCO)C(=O)C1(C[NH+](C)C)CC1 ZINC001058601903 737917278 /nfs/dbraw/zinc/91/72/78/737917278.db2.gz UIFLXCFPQMBABX-UHFFFAOYSA-N 2 0 328.457 -0.783 20 0 EBADRP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001058707526 737959306 /nfs/dbraw/zinc/95/93/06/737959306.db2.gz AZAHPSIUAXWXDC-UHFFFAOYSA-N 2 0 347.419 -0.163 20 0 EBADRP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001058709311 737960364 /nfs/dbraw/zinc/96/03/64/737960364.db2.gz QECCLFQIDVOTBQ-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)CC[NH+]1CCCCC1 ZINC001058709200 737960387 /nfs/dbraw/zinc/96/03/87/737960387.db2.gz LBQZZHIHOJODOA-UHFFFAOYSA-N 2 0 342.484 -0.249 20 0 EBADRP CC[C@H](C(=O)NCCN(CCO)C(=O)CC[N@H+](C)CC)[NH+](C)C ZINC001058815099 738002987 /nfs/dbraw/zinc/00/29/87/738002987.db2.gz LEOKVRPZXBWPOB-CQSZACIVSA-N 2 0 330.473 -0.395 20 0 EBADRP CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001058817805 738005512 /nfs/dbraw/zinc/00/55/12/738005512.db2.gz SMNFRXOIBDOZON-HUUCEWRRSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[C@@H](C(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@@H]1C)[NH+](C)C ZINC001058843985 738023110 /nfs/dbraw/zinc/02/31/10/738023110.db2.gz QBNBVZIVAQVFAA-GJZGRUSLSA-N 2 0 342.484 -0.252 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001058845204 738025256 /nfs/dbraw/zinc/02/52/56/738025256.db2.gz HYIXCYRXRRYLKU-HUUCEWRRSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)CCC[NH+](C)C)C1 ZINC001058846816 738027995 /nfs/dbraw/zinc/02/79/95/738027995.db2.gz GHCSWZXCIXRSBS-OAHLLOKOSA-N 2 0 342.484 -0.393 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001060320438 738347541 /nfs/dbraw/zinc/34/75/41/738347541.db2.gz SLAYXMKTUUSRLY-OAHLLOKOSA-N 2 0 342.484 -0.129 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001063719096 739186150 /nfs/dbraw/zinc/18/61/50/739186150.db2.gz XXNUYGSQODAPJO-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[C@H](C(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1)[NH+](C)C ZINC001065171828 739577191 /nfs/dbraw/zinc/57/71/91/739577191.db2.gz MKBSDEIWHCGCFL-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001065254405 739614940 /nfs/dbraw/zinc/61/49/40/739614940.db2.gz UVGWITFJQLKWAL-GJZGRUSLSA-N 2 0 340.468 -0.236 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001065370578 739679059 /nfs/dbraw/zinc/67/90/59/739679059.db2.gz SSKVWCQDSQRQBL-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP CC[C@@H](C(=O)N1CCO[C@H](CNC(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001065374720 739681285 /nfs/dbraw/zinc/68/12/85/739681285.db2.gz QZCZUNJPDOQNPG-KGLIPLIRSA-N 2 0 328.457 -0.378 20 0 EBADRP C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001065571729 739768202 /nfs/dbraw/zinc/76/82/02/739768202.db2.gz ARYPIDHWHZRXMN-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065576962 739772575 /nfs/dbraw/zinc/77/25/75/739772575.db2.gz YXPUATXLRGCWIQ-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001065576421 739772649 /nfs/dbraw/zinc/77/26/49/739772649.db2.gz QKPKPIVNUKAICF-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001065576269 739772717 /nfs/dbraw/zinc/77/27/17/739772717.db2.gz OHLHIIRWTSCKPH-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001068454050 740330462 /nfs/dbraw/zinc/33/04/62/740330462.db2.gz IIBUYHNAUDLWJA-CQSZACIVSA-N 2 0 338.452 -0.528 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001068455705 740331430 /nfs/dbraw/zinc/33/14/30/740331430.db2.gz CPGBAKRVYPCQFQ-CQSZACIVSA-N 2 0 338.452 -0.670 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068902704 740486404 /nfs/dbraw/zinc/48/64/04/740486404.db2.gz STPCFCHQZLKZDE-AWEZNQCLSA-N 2 0 340.468 -0.236 20 0 EBADRP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)Cn2cncc2C)[C@@H](n2ccnn2)C1 ZINC001069980194 740644691 /nfs/dbraw/zinc/64/46/91/740644691.db2.gz HREZHEQVJCXNTG-ZNMIVQPWSA-N 2 0 347.423 -0.140 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070194896 740744061 /nfs/dbraw/zinc/74/40/61/740744061.db2.gz SSKVJFAGWMKNIO-ZNMIVQPWSA-N 2 0 336.415 -0.069 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2[NH2+]CCO)c1 ZINC001070500762 740850631 /nfs/dbraw/zinc/85/06/31/740850631.db2.gz GKVLUQYYQPZXOS-NUEKZKHPSA-N 2 0 335.452 -0.363 20 0 EBADRP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CC(N)=O ZINC001070660682 740913529 /nfs/dbraw/zinc/91/35/29/740913529.db2.gz MZNGNTXLLJDAPP-MCIONIFRSA-N 2 0 348.451 -0.726 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001070689920 740920784 /nfs/dbraw/zinc/92/07/84/740920784.db2.gz XCOCIWXQDNGHOH-RRFJBIMHSA-N 2 0 335.452 -0.219 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001072286552 741360152 /nfs/dbraw/zinc/36/01/52/741360152.db2.gz LQNHZZOCNVSSIX-LSDHHAIUSA-N 2 0 342.484 -0.132 20 0 EBADRP C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001072432660 741398384 /nfs/dbraw/zinc/39/83/84/741398384.db2.gz LBFHVOIHHLDCDZ-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@H](O)Cn1cccn1)C2 ZINC001072544658 741427105 /nfs/dbraw/zinc/42/71/05/741427105.db2.gz STMVTEZECUXKEN-HOTGVXAUSA-N 2 0 347.463 -0.128 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001072553669 741428873 /nfs/dbraw/zinc/42/88/73/741428873.db2.gz GWBCHYMNWYGBDK-OLZOCXBDSA-N 2 0 334.420 -0.580 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CC2(C1)CC[N@@H+]([C@H]1CCC(=O)NC1=O)C2)C1CC1 ZINC001072814539 741492779 /nfs/dbraw/zinc/49/27/79/741492779.db2.gz IPYUGUWFTDCTAG-DZGCQCFKSA-N 2 0 348.447 -0.334 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001072852975 741503838 /nfs/dbraw/zinc/50/38/38/741503838.db2.gz VPJWPKAHNODJPX-UHFFFAOYSA-N 2 0 325.453 -0.129 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC3(C2)CC[NH+](CCN2CCNC2=O)C3)C1 ZINC001073128034 741566003 /nfs/dbraw/zinc/56/60/03/741566003.db2.gz OUPMMGUPVIEILP-OAHLLOKOSA-N 2 0 349.479 -0.112 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)CC[C@H]1NC(=O)CC[NH+](C)C ZINC001074192709 741856794 /nfs/dbraw/zinc/85/67/94/741856794.db2.gz FWTMVAUQMJZOIZ-HUUCEWRRSA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C[NH2+]Cc1nnnn1C ZINC001075355432 742216957 /nfs/dbraw/zinc/21/69/57/742216957.db2.gz KWGNHAFBVVFALR-KGLIPLIRSA-N 2 0 347.467 -0.120 20 0 EBADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C[NH2+]Cc1nnnn1C ZINC001075355431 742217184 /nfs/dbraw/zinc/21/71/84/742217184.db2.gz KWGNHAFBVVFALR-KBPBESRZSA-N 2 0 347.467 -0.120 20 0 EBADRP C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001077494374 743016934 /nfs/dbraw/zinc/01/69/34/743016934.db2.gz LRAZEPDJLQYGEB-GJZGRUSLSA-N 2 0 342.484 -0.083 20 0 EBADRP C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001077495544 743020043 /nfs/dbraw/zinc/02/00/43/743020043.db2.gz JRRGLWGFVOJCNN-RRFJBIMHSA-N 2 0 342.484 -0.084 20 0 EBADRP Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)cn1 ZINC001077778365 743243109 /nfs/dbraw/zinc/24/31/09/743243109.db2.gz FUQSOYQBCHEHLT-IAGOWNOFSA-N 2 0 349.479 -0.144 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2O)C1 ZINC001078007413 743410067 /nfs/dbraw/zinc/41/00/67/743410067.db2.gz QTJUSPKAARIHAO-BZUAXINKSA-N 2 0 325.453 -0.084 20 0 EBADRP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001078174107 743514466 /nfs/dbraw/zinc/51/44/66/743514466.db2.gz BKZKBLVZKIKTRW-BZUAXINKSA-N 2 0 335.452 -0.442 20 0 EBADRP Cn1nnnc1C[NH2+][C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001078784022 743734363 /nfs/dbraw/zinc/73/43/63/743734363.db2.gz QCNBMMSETCLLRJ-OLZOCXBDSA-N 2 0 345.451 -0.177 20 0 EBADRP Cn1nnnc1C[NH2+][C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001078811962 743737959 /nfs/dbraw/zinc/73/79/59/743737959.db2.gz BWONEHFZZIISMY-OLZOCXBDSA-N 2 0 333.440 -0.177 20 0 EBADRP C[N@H+](CCN1C(=O)CCC1=O)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000980390790 805880743 /nfs/dbraw/zinc/88/07/43/805880743.db2.gz KHZQJWVLIFSXRD-ZIAGYGMSSA-N 2 0 336.436 -0.380 20 0 EBADRP C[C@@H]1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)CN1C(=O)C[NH+]1CCCC1 ZINC000980802539 806022236 /nfs/dbraw/zinc/02/22/36/806022236.db2.gz ZNCDJAHFOOQKNL-OLZOCXBDSA-N 2 0 336.440 -0.469 20 0 EBADRP C[C@H]1C[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)CN1C(=O)C[NH+]1CCCC1 ZINC000980802540 806023226 /nfs/dbraw/zinc/02/32/26/806023226.db2.gz ZNCDJAHFOOQKNL-QWHCGFSZSA-N 2 0 336.440 -0.469 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CCC[C@@H]([NH2+]CC(N)=O)C2)n1 ZINC000981095207 806083726 /nfs/dbraw/zinc/08/37/26/806083726.db2.gz UPCQGZQWTXWOHQ-OLZOCXBDSA-N 2 0 336.440 -0.439 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CC(N)=O)C2)cn1 ZINC000981383211 806158679 /nfs/dbraw/zinc/15/86/79/806158679.db2.gz ZTZBABVZJRTPJP-ZIAGYGMSSA-N 2 0 336.440 -0.439 20 0 EBADRP Cn1[nH]c(C[NH2+][C@@H]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)nc1=O ZINC000981528233 806192479 /nfs/dbraw/zinc/19/24/79/806192479.db2.gz PCHSRMKVFXOVOH-CHWSQXEVSA-N 2 0 336.440 -0.279 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCC[NH+]([C@@H]1CCC(=O)NC1=O)C2 ZINC000981666668 806228850 /nfs/dbraw/zinc/22/88/50/806228850.db2.gz YIYKSZBOPLTFRH-ZIAGYGMSSA-N 2 0 348.447 -0.190 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC3(C2)CCC[N@H+](CCO)C3)cn1 ZINC000982063827 806386588 /nfs/dbraw/zinc/38/65/88/806386588.db2.gz YRMDFNBZMPXKMZ-UHFFFAOYSA-N 2 0 335.452 -0.025 20 0 EBADRP O=C(N1CC2(C1)CCC[N@@H+]([C@@H]1CCNC1=O)C2)C12CC[NH+](CC1)C2 ZINC000982120293 806404159 /nfs/dbraw/zinc/40/41/59/806404159.db2.gz RQMWRFYVXDXOQV-CQSZACIVSA-N 2 0 332.448 -0.105 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CCC[NH+]([C@H]2CCC(=O)NC2=O)C3)C1 ZINC000982148678 806411058 /nfs/dbraw/zinc/41/10/58/806411058.db2.gz RIINYSIZKYGXGA-KGLIPLIRSA-N 2 0 348.447 -0.332 20 0 EBADRP O=C(CNC(=O)C1C[NH+]([C@H]2CCOC2)C1)NCC[NH+]1CCCCC1 ZINC000909313833 803803704 /nfs/dbraw/zinc/80/37/04/803803704.db2.gz UUPOCWCGPCYHBZ-HNNXBMFYSA-N 2 0 338.452 -0.575 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(C(=O)Cn4ccnc4)C[C@H]32)C1 ZINC000976860190 803910399 /nfs/dbraw/zinc/91/03/99/803910399.db2.gz DAKNVLRHFMFMNG-SZOQZIPDSA-N 2 0 331.420 -0.202 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000976869596 803923022 /nfs/dbraw/zinc/92/30/22/803923022.db2.gz LLCNPONVWRZOTK-KBXIAJHMSA-N 2 0 332.448 -0.393 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000976869595 803923069 /nfs/dbraw/zinc/92/30/69/803923069.db2.gz LLCNPONVWRZOTK-BYNSBNAKSA-N 2 0 332.448 -0.393 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC000976871194 803925551 /nfs/dbraw/zinc/92/55/51/803925551.db2.gz SXCWSVSJYLEVIO-FXUDXRNXSA-N 2 0 346.475 -0.005 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[NH+](CCN3CCNC3=O)CC2(C)C)C1 ZINC000977599388 804406206 /nfs/dbraw/zinc/40/62/06/804406206.db2.gz LZPKCNJCJIZZLS-KGLIPLIRSA-N 2 0 337.468 -0.210 20 0 EBADRP CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4cncn4C3)[C@@H]2C1 ZINC000978403048 804821308 /nfs/dbraw/zinc/82/13/08/804821308.db2.gz GEBSRBBARQKGLQ-NGFQHRJXSA-N 2 0 331.420 -0.515 20 0 EBADRP C[C@H]([NH2+]Cc1cnnn1C)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC000979450287 805386245 /nfs/dbraw/zinc/38/62/45/805386245.db2.gz NJECCPFCJBYKFV-ZFWWWQNUSA-N 2 0 348.451 -0.384 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC000983323382 806987311 /nfs/dbraw/zinc/98/73/11/806987311.db2.gz UADWIEFQJUAEPD-TUVASFSCSA-N 2 0 343.493 0.000 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000983716308 807087823 /nfs/dbraw/zinc/08/78/23/807087823.db2.gz NUUMYPSLJASUFN-XUXIUFHCSA-N 2 0 349.439 -0.942 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC000984802492 807391241 /nfs/dbraw/zinc/39/12/41/807391241.db2.gz BEPJHYXMURASIV-SYQHCUMBSA-N 2 0 336.436 -0.382 20 0 EBADRP C[C@@H]1[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986815967 807783808 /nfs/dbraw/zinc/78/38/08/807783808.db2.gz TWMDUWDLPRQWEI-HIFRSBDPSA-N 2 0 337.468 -0.068 20 0 EBADRP C[C@@H]1[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987359329 807899997 /nfs/dbraw/zinc/89/99/97/807899997.db2.gz NJISCDSCYVFHMY-VXGBXAGGSA-N 2 0 334.424 -0.717 20 0 EBADRP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC000989168815 808394062 /nfs/dbraw/zinc/39/40/62/808394062.db2.gz CFNZTVIFHNAQNY-NEPJUHHUSA-N 2 0 328.376 -0.055 20 0 EBADRP C[C@@H]1C[C@H]([NH2+]CCN2CCNC2=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989684780 808557029 /nfs/dbraw/zinc/55/70/29/808557029.db2.gz XAOXFMOPKKXMLP-KGLIPLIRSA-N 2 0 335.452 -0.314 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC(NC(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC000990513112 808818813 /nfs/dbraw/zinc/81/88/13/808818813.db2.gz ITWLBBIXMQMBRD-OAHLLOKOSA-N 2 0 348.451 -0.521 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001215000050 810298500 /nfs/dbraw/zinc/29/85/00/810298500.db2.gz VVJYSOZJKWEMMS-GRYCIOLGSA-N 2 0 341.456 -0.263 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215422082 810327445 /nfs/dbraw/zinc/32/74/45/810327445.db2.gz WTZVFIWMGPUEON-VXGBXAGGSA-N 2 0 327.429 -0.780 20 0 EBADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001215415679 810327914 /nfs/dbraw/zinc/32/79/14/810327914.db2.gz GYHGTXLXKWZOGZ-JHJVBQTASA-N 2 0 336.436 -0.430 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCNC(C)=O)C1 ZINC001216001995 810354742 /nfs/dbraw/zinc/35/47/42/810354742.db2.gz NQGSUIAGSMXUNQ-GDBMZVCRSA-N 2 0 342.484 -0.083 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216053477 810357261 /nfs/dbraw/zinc/35/72/61/810357261.db2.gz OTAAYXZPNOVCAB-CHWSQXEVSA-N 2 0 339.440 -0.650 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]CCc1cnn(C)c1 ZINC001216401183 810371466 /nfs/dbraw/zinc/37/14/66/810371466.db2.gz HLYGXZHIASERHE-GDBMZVCRSA-N 2 0 337.468 -0.023 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001216756001 810385410 /nfs/dbraw/zinc/38/54/10/810385410.db2.gz NWQLRWOMJQGVME-OWCLPIDISA-N 2 0 335.452 -0.224 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216755846 810385738 /nfs/dbraw/zinc/38/57/38/810385738.db2.gz GVQBNVUNWYBURV-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)nc2)CC1 ZINC001218516248 810497333 /nfs/dbraw/zinc/49/73/33/810497333.db2.gz WMBFREBEDJJSNH-CQSZACIVSA-N 3 0 330.436 -0.419 20 0 EBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218532672 810499411 /nfs/dbraw/zinc/49/94/11/810499411.db2.gz IEEYXZGNWWOYGO-JGVFFNPUSA-N 2 0 326.426 -0.327 20 0 EBADRP Nc1cnc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])cn1 ZINC001218623409 810512094 /nfs/dbraw/zinc/51/20/94/810512094.db2.gz LKJNDYBBPJHJDM-QWRGUYRKSA-N 2 0 335.412 -0.555 20 0 EBADRP Cc1nc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)cc(N2CCOCC2)n1 ZINC001218621498 810512203 /nfs/dbraw/zinc/51/22/03/810512203.db2.gz VPZCNCLYKKTBCV-LBPRGKRZSA-N 2 0 332.408 -0.631 20 0 EBADRP CCOC(=O)c1cc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)n(C)n1 ZINC001218636751 810514174 /nfs/dbraw/zinc/51/41/74/810514174.db2.gz HEEVFOGZEXLCRM-NSHDSACASA-N 2 0 338.412 -0.714 20 0 EBADRP Cc1nc(S(C)(=O)=O)ccc1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218661894 810517597 /nfs/dbraw/zinc/51/75/97/810517597.db2.gz RIHRHYPBUDKYDA-VIFPVBQESA-N 2 0 332.451 -0.249 20 0 EBADRP Nc1cccnc1N(C(=O)[C@@H]1NC(=O)CC12C[NH2+]C2)C1CC[NH2+]CC1 ZINC001218695320 810520362 /nfs/dbraw/zinc/52/03/62/810520362.db2.gz UJTPFAPZOSRPOT-AWEZNQCLSA-N 2 0 344.419 -0.773 20 0 EBADRP Nc1cccnc1N(C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2)C1CC[NH2+]CC1 ZINC001218695233 810520674 /nfs/dbraw/zinc/52/06/74/810520674.db2.gz QWVMJEPUEHKJIE-CPUCHLNUSA-N 2 0 330.436 -0.029 20 0 EBADRP Nc1cn(C(=O)[C@@H]([NH3+])CCCNC(=O)c2cnccn2)ccc1=[NH2+] ZINC001218691103 810520703 /nfs/dbraw/zinc/52/07/03/810520703.db2.gz FUYMRZFLYPAIRD-NSHDSACASA-N 2 0 329.364 -0.483 20 0 EBADRP COc1cnc(Cl)c(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)n1 ZINC001218720601 810523811 /nfs/dbraw/zinc/52/38/11/810523811.db2.gz LNNRXZSFCYEQPO-VIFPVBQESA-N 2 0 328.804 -0.173 20 0 EBADRP COC[C@@H](C)Oc1cc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)[nH]n1 ZINC001218720925 810523986 /nfs/dbraw/zinc/52/39/86/810523986.db2.gz PDFNGDYUPMTYFB-PWSUYJOCSA-N 2 0 340.428 -0.488 20 0 EBADRP CS(=O)(=O)N(C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)c1cccc(N)c1 ZINC001218887364 810541962 /nfs/dbraw/zinc/54/19/62/810541962.db2.gz HGUKWDWRBWWYSE-IAQYHMDHSA-N 2 0 338.433 -0.240 20 0 EBADRP CNS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c1 ZINC001218901965 810542684 /nfs/dbraw/zinc/54/26/84/810542684.db2.gz RNIUHCLHCBDCOR-SNVBAGLBSA-N 2 0 340.405 -0.952 20 0 EBADRP CN(C)S(=O)(=O)c1ccccc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218894664 810543332 /nfs/dbraw/zinc/54/33/32/810543332.db2.gz TUFFRKOCQBDIBI-LLVKDONJSA-N 2 0 338.433 -0.316 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@@H]3CCCNC3=O)C[C@@H]21 ZINC001218919706 810543904 /nfs/dbraw/zinc/54/39/04/810543904.db2.gz XYBCQPAXUUKLLB-QLFBSQMISA-N 2 0 338.452 -0.482 20 0 EBADRP CN1c2ccc(NC(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)cc2CC1=O ZINC001219020589 810556024 /nfs/dbraw/zinc/55/60/24/810556024.db2.gz FOSKOAUILCQRSU-AWEZNQCLSA-N 2 0 331.420 -0.106 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+]([C@H]3CCCNC3=O)C[C@@H]21 ZINC001219054422 810564127 /nfs/dbraw/zinc/56/41/27/810564127.db2.gz BHOOEGYCCHLQEP-SOUVJXGZSA-N 2 0 338.452 -0.483 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+]([C@@H]3CCCNC3=O)C[C@@H]21 ZINC001219054421 810564736 /nfs/dbraw/zinc/56/47/36/810564736.db2.gz BHOOEGYCCHLQEP-QLFBSQMISA-N 2 0 338.452 -0.483 20 0 EBADRP O=C(Nc1cccc(N2CC[NH2+]CC2)c1)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001219115399 810587431 /nfs/dbraw/zinc/58/74/31/810587431.db2.gz APLYIHGXWVGJAG-HNNXBMFYSA-N 2 0 329.404 -0.487 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001219118497 810588226 /nfs/dbraw/zinc/58/82/26/810588226.db2.gz MUVXRIKYVDXIBE-KRWDZBQOSA-N 3 0 346.479 -0.215 20 0 EBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC001219235981 810626129 /nfs/dbraw/zinc/62/61/29/810626129.db2.gz JQHRLTKUJCDBMZ-ZOWXZIJZSA-N 2 0 349.435 -0.623 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)C1 ZINC001015999923 810649364 /nfs/dbraw/zinc/64/93/64/810649364.db2.gz XXXZMLGQPKBNBS-CHWSQXEVSA-N 2 0 337.424 -0.930 20 0 EBADRP Nc1ccc(-c2nc(=O)on2C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)cc1 ZINC001219386964 810680451 /nfs/dbraw/zinc/68/04/51/810680451.db2.gz WWAZOAARXMMHEL-BDJLRTHQSA-N 2 0 329.360 -0.075 20 0 EBADRP NC(=O)c1cc2[nH]ccc2c(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001219417632 810691658 /nfs/dbraw/zinc/69/16/58/810691658.db2.gz YHZMSVZSSBMTET-ZDUSSCGKSA-N 2 0 344.419 -0.044 20 0 EBADRP COc1cc2c(cc1NC(=O)CNCC[NH3+])NC(=O)[C@]21CC[NH2+]C1 ZINC001219503775 810725371 /nfs/dbraw/zinc/72/53/71/810725371.db2.gz NKFCNDKYOZMVCG-INIZCTEOSA-N 2 0 333.392 -0.635 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@@H]1C[C@H]([NH3+])CN1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219504418 810726047 /nfs/dbraw/zinc/72/60/47/810726047.db2.gz TXPWIINFQIAQKF-YHYSRRTLSA-N 2 0 345.403 -0.494 20 0 EBADRP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001219536894 810742096 /nfs/dbraw/zinc/74/20/96/810742096.db2.gz GMGIBZJBGUPXQE-BCQZVRRWSA-N 2 0 328.372 -0.449 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CC23CC[NH+](CC(N)=O)CC3)n1 ZINC001016630510 810766882 /nfs/dbraw/zinc/76/68/82/810766882.db2.gz YCURWFBUODULFI-CQSZACIVSA-N 2 0 348.451 -0.486 20 0 EBADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001219614316 810771668 /nfs/dbraw/zinc/77/16/68/810771668.db2.gz WZUQGQOIVNIFGM-CYBMUJFWSA-N 2 0 344.341 -0.090 20 0 EBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001219617608 810773194 /nfs/dbraw/zinc/77/31/94/810773194.db2.gz MSSSTWZSOZNZSA-RZLSGREXSA-N 2 0 328.432 -0.761 20 0 EBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001219622346 810774770 /nfs/dbraw/zinc/77/47/70/810774770.db2.gz SFXLGLFKGQKIKY-ORIJERBGSA-N 2 0 328.432 -0.619 20 0 EBADRP [NH3+][C@@H](Cc1c[nH]c2ncccc12)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219736127 810815812 /nfs/dbraw/zinc/81/58/12/810815812.db2.gz BCHHSIPLQWOBHQ-JSGCOSHPSA-N 2 0 329.404 -0.073 20 0 EBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001219749000 810822942 /nfs/dbraw/zinc/82/29/42/810822942.db2.gz GUWRUWOSPRHQBQ-GUYCJALGSA-N 2 0 348.451 -0.064 20 0 EBADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001219764676 810832061 /nfs/dbraw/zinc/83/20/61/810832061.db2.gz JSXCQJDOAAQQBL-TWMKSMIVSA-N 2 0 335.496 -0.530 20 0 EBADRP O=C(NC[C@]1(F)CCC[NH2+]C1)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219768228 810833136 /nfs/dbraw/zinc/83/31/36/810833136.db2.gz LJBIPQZPOXRSOL-FZMZJTMJSA-N 2 0 337.403 -0.868 20 0 EBADRP CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219796102 810845753 /nfs/dbraw/zinc/84/57/53/810845753.db2.gz MSCQKVLPLLUYHD-HOTGVXAUSA-N 3 0 338.452 -0.530 20 0 EBADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219795669 810846295 /nfs/dbraw/zinc/84/62/95/810846295.db2.gz DCKGZADSLWTXMW-RYUDHWBXSA-N 3 0 325.457 -0.829 20 0 EBADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@@H]1C[NH2+]C[C@H]2CCO[C@H]21 ZINC001219796206 810846442 /nfs/dbraw/zinc/84/64/42/810846442.db2.gz QWOSEIXQANNOIO-KBRIMQKVSA-N 3 0 336.480 -0.057 20 0 EBADRP [NH3+]CCOCCOCC(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219796095 810846542 /nfs/dbraw/zinc/84/65/42/810846542.db2.gz MJKWYXXNZHUVRM-UHFFFAOYSA-N 3 0 328.457 -0.689 20 0 EBADRP CCn1nnc2c1[C@@H](C(=O)NCc1noc3c1C[NH2+]CC3)CNC2 ZINC001219809672 810853848 /nfs/dbraw/zinc/85/38/48/810853848.db2.gz PYIVBYVAIFMMMK-JTQLQIEISA-N 2 0 331.380 -0.565 20 0 EBADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)c1cccnc1O[C@H]1CC[NH2+]C1 ZINC001219815121 810857403 /nfs/dbraw/zinc/85/74/03/810857403.db2.gz SCAVXCSHLCQAGX-DCGLDWPTSA-N 2 0 332.404 -0.212 20 0 EBADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001219812690 810857760 /nfs/dbraw/zinc/85/77/60/810857760.db2.gz GSDMSEABFNMZND-VKJFTORMSA-N 3 0 336.480 -0.197 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@@H]1O ZINC001219830209 810865774 /nfs/dbraw/zinc/86/57/74/810865774.db2.gz RIVXWCZLLJWBQQ-XHSDSOJGSA-N 2 0 335.452 -0.081 20 0 EBADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001219831555 810867347 /nfs/dbraw/zinc/86/73/47/810867347.db2.gz OQFUJHPWOJNKAL-TUVASFSCSA-N 2 0 345.447 -0.373 20 0 EBADRP [NH3+]C1(C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)Cc2ccccc2C1 ZINC001219838635 810871011 /nfs/dbraw/zinc/87/10/11/810871011.db2.gz SKVAYJHSVHEZAL-RDTXWAMCSA-N 2 0 345.443 -0.006 20 0 EBADRP CN(CC(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1CCC[NH2+]C1 ZINC001219838466 810871274 /nfs/dbraw/zinc/87/12/74/810871274.db2.gz QRVJFGRKGLXQQC-INMHGKMJSA-N 2 0 340.468 -0.819 20 0 EBADRP [NH3+]C1(CC(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)CCOCC1 ZINC001219839193 810871705 /nfs/dbraw/zinc/87/17/05/810871705.db2.gz XXKDBVZKQDISKI-CZUORRHYSA-N 2 0 327.425 -0.604 20 0 EBADRP Cn1nc2c(c1C(=O)NC[C@H]1CO[C@@]3(C1)C[NH2+]CCOC3)CNC2 ZINC001219848338 810877760 /nfs/dbraw/zinc/87/77/60/810877760.db2.gz XHYZYWGBXKOWIY-ZBEGNZNMSA-N 2 0 335.408 -0.852 20 0 EBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852782 810879673 /nfs/dbraw/zinc/87/96/73/810879673.db2.gz ZNVADKYMNNXONX-XDQVBPFNSA-N 2 0 326.441 -0.783 20 0 EBADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001219854671 810880079 /nfs/dbraw/zinc/88/00/79/810880079.db2.gz PHZMHMYGTWEBAG-PVAFPOESSA-N 2 0 342.399 -0.801 20 0 EBADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1NC2=O ZINC001219856348 810880448 /nfs/dbraw/zinc/88/04/48/810880448.db2.gz JBOFYWOJWOSKOT-XFIYOXNOSA-N 2 0 342.399 -0.798 20 0 EBADRP Cn1cc(Br)cc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c1=O ZINC001219881392 810892988 /nfs/dbraw/zinc/89/29/88/810892988.db2.gz WVVQXWQCJZCTBD-SECBINFHSA-N 2 0 341.209 -0.105 20 0 EBADRP CS(=O)(=O)N(C(=O)[C@@]12C[NH2+]C[C@@H]1CCN2)c1ccc(C[NH3+])cc1 ZINC001219938899 810917366 /nfs/dbraw/zinc/91/73/66/810917366.db2.gz IQMQCOMNWQBHSX-SWLSCSKDSA-N 2 0 338.433 -0.611 20 0 EBADRP CC(=O)OC[C@H]([NH3+])C(=O)NCc1cccc(N2CC[NH+](C)CC2)c1 ZINC001219959128 810926252 /nfs/dbraw/zinc/92/62/52/810926252.db2.gz JTWKTGAGYAAUEA-INIZCTEOSA-N 2 0 334.420 -0.055 20 0 EBADRP COC(=O)C1(NC(=O)[C@@H]2C[NH2+]CC23CCOCC3)CC[NH2+]CC1 ZINC001219999143 810940253 /nfs/dbraw/zinc/94/02/53/810940253.db2.gz LISFQXQWIGSEST-LBPRGKRZSA-N 2 0 325.409 -0.586 20 0 EBADRP COC(=O)C1(NC(=O)[C@H]2C[NH2+]CC23CCOCC3)CC[NH2+]CC1 ZINC001219999142 810940327 /nfs/dbraw/zinc/94/03/27/810940327.db2.gz LISFQXQWIGSEST-GFCCVEGCSA-N 2 0 325.409 -0.586 20 0 EBADRP COC(=O)C1(NC(=O)[C@@H]2CO[C@]3(C2)CCC[NH2+]CC3)CC[NH2+]CC1 ZINC001220001770 810942122 /nfs/dbraw/zinc/94/21/22/810942122.db2.gz XBQYIKWSQLJYBT-XJKSGUPXSA-N 2 0 339.436 -0.053 20 0 EBADRP COC(=O)C1(NC(=O)c2cccnc2O[C@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC001220001068 810942350 /nfs/dbraw/zinc/94/23/50/810942350.db2.gz GOCHCVDJPQUQKP-LBPRGKRZSA-N 2 0 348.403 -0.153 20 0 EBADRP N=c1cc(C[NH3+])ncn1C(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC001220020597 810951858 /nfs/dbraw/zinc/95/18/58/810951858.db2.gz OQGULGWMWLMXLQ-ZDUSSCGKSA-N 2 0 328.376 -0.852 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCOC1 ZINC001220020892 810951999 /nfs/dbraw/zinc/95/19/99/810951999.db2.gz ZIECCKHUJIEILJ-RDBSUJKOSA-N 2 0 326.441 -0.414 20 0 EBADRP CC(C)(C)OC(=O)C1(NC(=O)[C@H]2C[NH2+]C[C@H]2O)CCC([NH3+])CC1 ZINC001220039930 810957194 /nfs/dbraw/zinc/95/71/94/810957194.db2.gz YWEWEVRQSAIANW-LZUBYRBGSA-N 2 0 327.425 -0.335 20 0 EBADRP CC(C)(C)OC(=O)C1(NC(=O)[C@@H]2C[C@H]([NH3+])CN2)CCC([NH3+])CC1 ZINC001220039690 810957662 /nfs/dbraw/zinc/95/76/62/810957662.db2.gz OLFFAYIVXMLDGO-SLMGRZLQSA-N 2 0 326.441 -0.226 20 0 EBADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)[NH3+] ZINC001220043242 810958828 /nfs/dbraw/zinc/95/88/28/810958828.db2.gz KRPMDEDSEGJTSJ-KWQFWETISA-N 2 0 336.396 -0.919 20 0 EBADRP C[NH2+]CCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220077818 810973220 /nfs/dbraw/zinc/97/32/20/810973220.db2.gz XNFGOCSHUNVWCC-KBPBESRZSA-N 3 0 327.473 -0.451 20 0 EBADRP COC(=O)[C@H](COC(C)(C)C)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220088812 810978734 /nfs/dbraw/zinc/97/87/34/810978734.db2.gz QEICYPLFNAGLJY-OLZOCXBDSA-N 2 0 344.456 -0.790 20 0 EBADRP CCCOCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220101570 810981709 /nfs/dbraw/zinc/98/17/09/810981709.db2.gz SUVSKPVCGKYZHM-KBPBESRZSA-N 2 0 328.457 -0.024 20 0 EBADRP O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001220163966 811004373 /nfs/dbraw/zinc/00/43/73/811004373.db2.gz XFTYHDQAZRXXMB-UMVBOHGHSA-N 2 0 341.477 -0.198 20 0 EBADRP O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001220163967 811004424 /nfs/dbraw/zinc/00/44/24/811004424.db2.gz XFTYHDQAZRXXMB-VNHYZAJKSA-N 2 0 341.477 -0.198 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1cc(OC2COC2)ccn1 ZINC001220185332 811009240 /nfs/dbraw/zinc/00/92/40/811009240.db2.gz FZNNAOQZFVXWRG-INIZCTEOSA-N 2 0 349.435 -0.774 20 0 EBADRP COC(=O)[C@]1(NC(=O)[C@@H]2C[NH2+]CCN2)CC[N@H+](Cc2ccccc2)C1 ZINC001220228484 811026030 /nfs/dbraw/zinc/02/60/30/811026030.db2.gz ODTGZRUVIKBJJG-YJBOKZPZSA-N 2 0 346.431 -0.518 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCCc1cnccn1 ZINC001220242601 811032669 /nfs/dbraw/zinc/03/26/69/811032669.db2.gz FNEQJLCLYJXIFW-GJZGRUSLSA-N 2 0 348.451 -0.417 20 0 EBADRP C[NH+](C)CC(C)(C)CNC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001220254164 811036829 /nfs/dbraw/zinc/03/68/29/811036829.db2.gz KXKILFCSQRJNIT-LBPRGKRZSA-N 2 0 330.473 -0.051 20 0 EBADRP [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC001220282461 811045650 /nfs/dbraw/zinc/04/56/50/811045650.db2.gz KFSOEJZMLZTNDD-UONOGXRCSA-N 2 0 336.461 -0.159 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220315233 811053398 /nfs/dbraw/zinc/05/33/98/811053398.db2.gz AWJNVSWJABVUSV-AYMQEEERSA-N 2 0 340.468 -0.108 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220315872 811053641 /nfs/dbraw/zinc/05/36/41/811053641.db2.gz JVERRMJHCLBSTM-DVOMOZLQSA-N 2 0 326.441 -0.497 20 0 EBADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)N[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001220320259 811055241 /nfs/dbraw/zinc/05/52/41/811055241.db2.gz MCMSEOFJFLEJIN-RVKKMQEKSA-N 2 0 346.431 -0.317 20 0 EBADRP CCOC(=O)C1(NC(=O)[C@H](CCCC[NH3+])[NH2+]C)CC[NH+](C)CC1 ZINC001220345637 811064664 /nfs/dbraw/zinc/06/46/64/811064664.db2.gz KTIBYNMUMDJIKC-ZDUSSCGKSA-N 3 0 328.457 -0.153 20 0 EBADRP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001220383828 811084078 /nfs/dbraw/zinc/08/40/78/811084078.db2.gz DPMURBUOZFCTET-YUTCNCBUSA-N 2 0 334.420 -0.054 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCc1c[nH]c2cccnc12 ZINC001220386082 811086736 /nfs/dbraw/zinc/08/67/36/811086736.db2.gz JASJYJGFCJMWFQ-CQSZACIVSA-N 2 0 330.436 -0.028 20 0 EBADRP [NH3+][C@@H](C(=O)Nc1ncc(Br)[nH]c1=O)C1CC[NH2+]CC1 ZINC001220398822 811094811 /nfs/dbraw/zinc/09/48/11/811094811.db2.gz OFCPNVWWIKZMML-MRVPVSSYSA-N 2 0 330.186 -0.202 20 0 EBADRP CCCn1c(=O)cc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)n(CCC)c1=O ZINC001220424810 811103181 /nfs/dbraw/zinc/10/31/81/811103181.db2.gz VEEFTPITMSFXTC-LBPRGKRZSA-N 2 0 349.435 -0.423 20 0 EBADRP [NH3+][C@H](CCC(=O)OCc1ccccc1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220429490 811104525 /nfs/dbraw/zinc/10/45/25/811104525.db2.gz SMKNXKCWRWSEEP-HUUCEWRRSA-N 2 0 335.404 -0.058 20 0 EBADRP CC(C)[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])C(=O)N1CCOCC1 ZINC001220454543 811112406 /nfs/dbraw/zinc/11/24/06/811112406.db2.gz ZHUBUYRHDQFKJW-RYUDHWBXSA-N 2 0 332.470 -0.995 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)N1CCOCC1)C(C)C ZINC001220454356 811112675 /nfs/dbraw/zinc/11/26/75/811112675.db2.gz URBQBDJXIQXDIJ-KBPBESRZSA-N 2 0 328.457 -0.297 20 0 EBADRP NC(=[NH2+])N(C(=O)[C@@H]1C[C@@H]([NH3+])CN1)c1ccc(N2CCOCC2)cc1 ZINC001220460319 811116536 /nfs/dbraw/zinc/11/65/36/811116536.db2.gz HYXVPLORTHCLHX-RISCZKNCSA-N 2 0 332.408 -0.561 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1[NH2+]CCN1CCNC1=O ZINC001036267445 811131191 /nfs/dbraw/zinc/13/11/91/811131191.db2.gz PPEFANKEIYUMOG-HUUCEWRRSA-N 2 0 349.479 -0.066 20 0 EBADRP [NH3+]CCOCCOCCNC(=O)c1cccc(N2CC[NH2+]CC2)c1 ZINC001220521755 811137592 /nfs/dbraw/zinc/13/75/92/811137592.db2.gz NHVSEXNGLAEVLQ-UHFFFAOYSA-N 2 0 336.436 -0.182 20 0 EBADRP CC(C)([NH3+])CN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)S(=O)(=O)c1ccccc1 ZINC001220535923 811144288 /nfs/dbraw/zinc/14/42/88/811144288.db2.gz PYBJVQNYOZQMIS-AAEUAGOBSA-N 2 0 341.433 -0.336 20 0 EBADRP CCOC(=O)[C@H](Cc1ccccn1)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220565902 811158475 /nfs/dbraw/zinc/15/84/75/811158475.db2.gz USDXDOANCHQGQC-KBPBESRZSA-N 2 0 332.404 -0.519 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1ccccc1-n1cnnn1 ZINC001220670858 811197259 /nfs/dbraw/zinc/19/72/59/811197259.db2.gz ONRWXXGUZCABFK-CQSZACIVSA-N 2 0 344.423 -0.971 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1cc(-c2ccncc2)n[nH]1 ZINC001220693973 811206028 /nfs/dbraw/zinc/20/60/28/811206028.db2.gz IIWUAIDMTOKKFQ-HNNXBMFYSA-N 2 0 343.435 -0.162 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cccnc1C[NH3+] ZINC001220711224 811213713 /nfs/dbraw/zinc/21/37/13/811213713.db2.gz MXDROKYANLCCNR-WFASDCNBSA-N 3 0 348.451 -0.074 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CCO)C2)n1 ZINC001036719576 811230286 /nfs/dbraw/zinc/23/02/86/811230286.db2.gz GXJXEEXHBJIDOG-GOEBONIOSA-N 2 0 335.452 -0.027 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220793610 811244534 /nfs/dbraw/zinc/24/45/34/811244534.db2.gz FVYAHPKXRSUQCR-BHYGNILZSA-N 3 0 346.479 -0.401 20 0 EBADRP CCOC(=O)C1=C(NC(=O)C2CCN([C@@H]3CC[NH2+]C3)CC2)C[NH2+]C1 ZINC001220830507 811258869 /nfs/dbraw/zinc/25/88/69/811258869.db2.gz ZKJLUJYEBVWBOD-CYBMUJFWSA-N 2 0 336.436 -0.403 20 0 EBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220857947 811269800 /nfs/dbraw/zinc/26/98/00/811269800.db2.gz ZFOQMGLVTDTERS-NEPJUHHUSA-N 2 0 331.482 -0.110 20 0 EBADRP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220903771 811288015 /nfs/dbraw/zinc/28/80/15/811288015.db2.gz ZMESEAOXJQAAAL-SNVBAGLBSA-N 2 0 348.404 -0.900 20 0 EBADRP [NH3+]CCNCC(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220901367 811288463 /nfs/dbraw/zinc/28/84/63/811288463.db2.gz XFTGSSMAGGFZCH-UHFFFAOYSA-N 2 0 325.457 -0.872 20 0 EBADRP O=C(NCC1CCN(c2cnccn2)CC1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220933063 811299942 /nfs/dbraw/zinc/29/99/42/811299942.db2.gz UULUCRGZYMBTKA-CQSZACIVSA-N 2 0 330.436 -0.382 20 0 EBADRP O=C(NCCO[C@@H]1CC[NH2+]C1)c1ccc2c(c1)[C@H]1C[NH2+]C[C@@H]1NC2=O ZINC001220939659 811303500 /nfs/dbraw/zinc/30/35/00/811303500.db2.gz RLYQEFWKJUTKHG-WQVCFCJDSA-N 2 0 344.415 -0.406 20 0 EBADRP CC(C)Oc1nccc(CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)n1 ZINC001220990255 811328739 /nfs/dbraw/zinc/32/87/39/811328739.db2.gz FNPJZLLNDMZEQT-CQSZACIVSA-N 2 0 336.440 -0.370 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001221007030 811340450 /nfs/dbraw/zinc/34/04/50/811340450.db2.gz SJQWFBNJYXNDGL-KKUMJFAQSA-N 3 0 341.500 -0.191 20 0 EBADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CC[S@@](C)=O)CC1 ZINC001221006809 811341009 /nfs/dbraw/zinc/34/10/09/811341009.db2.gz MSXFGHNLWAMGMW-FIGIBYQXSA-N 2 0 346.497 -0.813 20 0 EBADRP Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073525 811362935 /nfs/dbraw/zinc/36/29/35/811362935.db2.gz ZPQHNSQXLBBABZ-SJORKVTESA-N 2 0 349.479 0.000 20 0 EBADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001221081016 811366855 /nfs/dbraw/zinc/36/68/55/811366855.db2.gz BHAXFPNLAKCOBJ-CABCVRRESA-N 2 0 329.441 -0.967 20 0 EBADRP Cn1cc(CC[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H](O)C2)cn1 ZINC001221081936 811369867 /nfs/dbraw/zinc/36/98/67/811369867.db2.gz ZCDSYAURHJAOGV-SJORKVTESA-N 2 0 349.479 0.000 20 0 EBADRP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001221114379 811382639 /nfs/dbraw/zinc/38/26/39/811382639.db2.gz XNTDBLONVZJJTA-KBXCAEBGSA-N 2 0 329.448 -0.230 20 0 EBADRP NC(=O)NCCC[C@H]([NH3+])C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221121541 811384416 /nfs/dbraw/zinc/38/44/16/811384416.db2.gz ITAKAHAGVPXEAA-ZDUSSCGKSA-N 2 0 334.424 -0.448 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCc1ccnc(OCCOC)n1 ZINC001221157658 811396922 /nfs/dbraw/zinc/39/69/22/811396922.db2.gz LZUXMYCACDISJW-ZDUSSCGKSA-N 2 0 325.413 -0.165 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1cc(OCC2CC2)ncn1 ZINC001221159055 811397331 /nfs/dbraw/zinc/39/73/31/811397331.db2.gz DNGLEUSWBUGZSC-OAHLLOKOSA-N 2 0 348.451 -0.368 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1cc(OCC2CC2)ncn1 ZINC001221159053 811398113 /nfs/dbraw/zinc/39/81/13/811398113.db2.gz DNGLEUSWBUGZSC-HNNXBMFYSA-N 2 0 348.451 -0.368 20 0 EBADRP CC(=O)OCN1CCC(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001221258341 811427969 /nfs/dbraw/zinc/42/79/69/811427969.db2.gz FWSWYWSMGPBALH-HNNXBMFYSA-N 2 0 338.452 -0.038 20 0 EBADRP COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001221257026 811428063 /nfs/dbraw/zinc/42/80/63/811428063.db2.gz VJVMOCSRMVRSPH-UONOGXRCSA-N 2 0 337.424 -0.663 20 0 EBADRP COC(=O)C12CCC(NC(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)(CC1)C2 ZINC001221365288 811446086 /nfs/dbraw/zinc/44/60/86/811446086.db2.gz AIIRLNMFCWRXQH-IGEOTXOUSA-N 2 0 338.452 -0.271 20 0 EBADRP NC1=CC=C(C2CCN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)CC2)[NH2+]C1 ZINC001221390906 811449346 /nfs/dbraw/zinc/44/93/46/811449346.db2.gz IVCJGQMYCOPKIM-RDTXWAMCSA-N 3 0 331.464 -0.246 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC(C2=CC=C(N)C[NH2+]2)CC1 ZINC001221392312 811449388 /nfs/dbraw/zinc/44/93/88/811449388.db2.gz LBJDAESLLVZERA-HUUCEWRRSA-N 2 0 348.447 -0.047 20 0 EBADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001221398286 811450974 /nfs/dbraw/zinc/45/09/74/811450974.db2.gz WJTGPIJDBZIZRR-LSDHHAIUSA-N 2 0 349.456 -0.406 20 0 EBADRP C[N@@H+]1C[C@@H](C(=O)N[C@@H](C2CCC2)C2C[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001221408251 811452109 /nfs/dbraw/zinc/45/21/09/811452109.db2.gz HNOHMWGQZOPOST-HOTGVXAUSA-N 3 0 336.480 -0.057 20 0 EBADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001079489556 811559923 /nfs/dbraw/zinc/55/99/23/811559923.db2.gz FJMVYMZYGCDWJO-MGPQQGTHSA-N 2 0 336.436 -0.334 20 0 EBADRP CCS(=O)(=O)NCC[NH+]1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224346128 811759033 /nfs/dbraw/zinc/75/90/33/811759033.db2.gz CJLIPNRGPNFYNL-UHFFFAOYSA-N 2 0 348.513 -0.294 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224346992 811759382 /nfs/dbraw/zinc/75/93/82/811759382.db2.gz VOKWODYDBJIPOO-NSHDSACASA-N 2 0 327.429 -0.650 20 0 EBADRP CC[C@@H](C(=O)NCC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1)[NH+](C)C ZINC001224583390 811767510 /nfs/dbraw/zinc/76/75/10/811767510.db2.gz RYDKNRKTFGKHKR-UONOGXRCSA-N 2 0 338.452 -0.040 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC001224911330 811784342 /nfs/dbraw/zinc/78/43/42/811784342.db2.gz LVOJCHDXJJFRQC-UHFFFAOYSA-N 2 0 348.513 -0.294 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001225154707 811795744 /nfs/dbraw/zinc/79/57/44/811795744.db2.gz GAAIFCSOQHPKAM-CQSZACIVSA-N 2 0 326.441 -0.719 20 0 EBADRP COCCOC[C@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001226555509 811869873 /nfs/dbraw/zinc/86/98/73/811869873.db2.gz XKIDCZJPLXBPOA-CVEARBPZSA-N 2 0 343.468 -0.315 20 0 EBADRP CN(CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1)S(C)(=O)=O ZINC001226555465 811870068 /nfs/dbraw/zinc/87/00/68/811870068.db2.gz WDLSLSGZEPOIJB-CQSZACIVSA-N 2 0 346.497 -0.447 20 0 EBADRP CC[C@H](C(=O)NC1CC[NH+](CCN(C)S(C)(=O)=O)CC1)[NH+](C)C ZINC001227980666 811953610 /nfs/dbraw/zinc/95/36/10/811953610.db2.gz VKWVTCLFWCEVLH-CQSZACIVSA-N 2 0 348.513 -0.201 20 0 EBADRP CC[C@H](C(=O)NC1CC[NH+](CCN2C(=O)CNC2=O)CC1)[NH+](C)C ZINC001227986259 811953991 /nfs/dbraw/zinc/95/39/91/811953991.db2.gz CIFAJANLOAQKRY-CYBMUJFWSA-N 2 0 339.440 -0.541 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NC1CCN(Cc2nc(=O)n(C)[nH]2)CC1 ZINC001228054451 811958657 /nfs/dbraw/zinc/95/86/57/811958657.db2.gz QKLAKKVNHNOXTR-UHFFFAOYSA-N 2 0 338.456 -0.081 20 0 EBADRP CC[C@@H](C(=O)NC1CC[NH+](CCN2CCNC2=O)CC1)[NH+](C)C ZINC001229253586 812023670 /nfs/dbraw/zinc/02/36/70/812023670.db2.gz HPIAAANZMVJDMH-AWEZNQCLSA-N 2 0 325.457 -0.068 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001229504603 812037253 /nfs/dbraw/zinc/03/72/53/812037253.db2.gz WEXAKAAEZNFLDP-VXGBXAGGSA-N 2 0 327.429 -0.460 20 0 EBADRP CC[NH+](CC)CC(=O)NC1CC[NH+](CCN2CCNC2=O)CC1 ZINC001229678433 812048675 /nfs/dbraw/zinc/04/86/75/812048675.db2.gz CPIJWSOQMWNOOK-UHFFFAOYSA-N 2 0 325.457 -0.066 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001229711089 812050934 /nfs/dbraw/zinc/05/09/34/812050934.db2.gz VIEXVFWWKSEZPM-MGPQQGTHSA-N 2 0 326.441 -0.530 20 0 EBADRP Cn1nnc(CN[C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)n1 ZINC001229710768 812050956 /nfs/dbraw/zinc/05/09/56/812050956.db2.gz SXTTVFWFDWEOFU-CHWSQXEVSA-N 2 0 339.444 -0.695 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001230284489 812097977 /nfs/dbraw/zinc/09/79/77/812097977.db2.gz HIVNHOFTQOGENL-ZIAGYGMSSA-N 2 0 348.513 -0.107 20 0 EBADRP C[NH+]1CCN(c2ccc(CN3CCNC[C@@]34CC[NH2+]C4)cn2)CC1 ZINC001234986541 812458336 /nfs/dbraw/zinc/45/83/36/812458336.db2.gz DPLYKKMZOYNZES-SFHVURJKSA-N 2 0 330.480 -0.029 20 0 EBADRP CC(C)(O)c1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cn1 ZINC001236310919 812517047 /nfs/dbraw/zinc/51/70/47/812517047.db2.gz BKXFSFOSBYAENS-UHFFFAOYSA-N 2 0 337.468 -0.075 20 0 EBADRP CCOC(=O)c1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])[nH]n1 ZINC001236311326 812517188 /nfs/dbraw/zinc/51/71/88/812517188.db2.gz IWUHCROLZYUBJL-UHFFFAOYSA-N 2 0 340.428 -0.798 20 0 EBADRP COc1ncc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(OC)n1 ZINC001236309113 812517233 /nfs/dbraw/zinc/51/72/33/812517233.db2.gz JWOLHZXJFXCABS-UHFFFAOYSA-N 2 0 340.428 -0.890 20 0 EBADRP CS(=O)(=O)c1cccc(S(=O)(=O)NCCC[NH2+]CCC[NH3+])c1 ZINC001238878283 812534666 /nfs/dbraw/zinc/53/46/66/812534666.db2.gz BGHWQZZREBPDEY-UHFFFAOYSA-N 2 0 349.478 -0.303 20 0 EBADRP CCOC(=O)[C@]12CN(S(=O)(=O)[C@@H]3CC[NH2+]C3)C[C@H]1C[NH2+]CC2 ZINC001239111687 812545356 /nfs/dbraw/zinc/54/53/56/812545356.db2.gz SOURYXMXRMFPEL-YRGRVCCFSA-N 2 0 331.438 -0.847 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1ccc(O)cc1 ZINC001239130340 812545978 /nfs/dbraw/zinc/54/59/78/812545978.db2.gz AGJZTUPYNFMVOS-UHFFFAOYSA-N 2 0 344.437 -0.803 20 0 EBADRP CCOC(=O)[C@@H]1CN(S(=O)(=O)[C@@H]2CC[NH2+]C2)CCC12C[NH2+]C2 ZINC001239181017 812549568 /nfs/dbraw/zinc/54/95/68/812549568.db2.gz LTQVABKUXXAZKK-NEPJUHHUSA-N 2 0 331.438 -0.847 20 0 EBADRP S=C(NCCN1CCOCC1)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239363845 812551791 /nfs/dbraw/zinc/55/17/91/812551791.db2.gz QFPHLQMDHHEKMC-CQSZACIVSA-N 2 0 341.525 -0.343 20 0 EBADRP c1cc(N2CC[NH2+]CC2)nc(-c2cnc(N3CC[NH2+]CC3)nc2)n1 ZINC001241895007 812553378 /nfs/dbraw/zinc/55/33/78/812553378.db2.gz RINGWXALMMZXAC-UHFFFAOYSA-N 2 0 326.408 -0.247 20 0 EBADRP O[C@H](CNc1cccnc1N1CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001245957714 812556604 /nfs/dbraw/zinc/55/66/04/812556604.db2.gz QMKIJNPFYYQJHT-AWEZNQCLSA-N 2 0 335.452 -0.231 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001245978657 812557099 /nfs/dbraw/zinc/55/70/99/812557099.db2.gz OFVWQIZSCPHOFX-OKYOBFRVSA-N 3 0 349.475 -0.098 20 0 EBADRP CCOC1(OCC)CC[NH2+]C[C@H]1NC[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001245982102 812557192 /nfs/dbraw/zinc/55/71/92/812557192.db2.gz JYJRSABOYAOKNJ-LSDHHAIUSA-N 2 0 345.484 -0.427 20 0 EBADRP O[C@H](C[NH2+]C[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)CC1(O)CC[NH2+]CC1 ZINC001245978682 812557404 /nfs/dbraw/zinc/55/74/04/812557404.db2.gz OXDZKXAOXMQTFJ-YQQAZPJKSA-N 3 0 327.469 -0.400 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001245976039 812557466 /nfs/dbraw/zinc/55/74/66/812557466.db2.gz CKCSPKFFMQKRDO-LYYZXLFJSA-N 2 0 327.375 -0.228 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001245983769 812558778 /nfs/dbraw/zinc/55/87/78/812558778.db2.gz MOWFHZMPHKFMJT-KNCOVGOOSA-N 2 0 340.374 -0.637 20 0 EBADRP CCOC(=O)C1(NC[C@H](O)CC2(O)CC[NH2+]CC2)CC[NH2+]CC1 ZINC001246017505 812559167 /nfs/dbraw/zinc/55/91/67/812559167.db2.gz JQCRFMAGRLNUEX-CYBMUJFWSA-N 2 0 329.441 -0.873 20 0 EBADRP CC1(N2CC[NH+](C[C@H](O)CC3(O)CC[NH2+]CC3)CC2)CC[NH2+]CC1 ZINC001246046982 812560370 /nfs/dbraw/zinc/56/03/70/812560370.db2.gz USHMUQZJIHJMSL-MRXNPFEDSA-N 3 0 340.512 -0.388 20 0 EBADRP [NH3+]CCN(CC[NH3+])C[C@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001246052107 812561144 /nfs/dbraw/zinc/56/11/44/812561144.db2.gz BQXMJKPTZJXSEW-GJZGRUSLSA-N 2 0 340.378 -0.274 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCO[C@H]2C[NH2+]C[C@H]21 ZINC001246035334 812561167 /nfs/dbraw/zinc/56/11/67/812561167.db2.gz SVRKZQMBEUVCJZ-JJXSEGSLSA-N 2 0 327.375 -0.132 20 0 EBADRP [NH3+][C@@H]1CCN(C2CC[NH+](C[C@H](O)CC3(O)CC[NH2+]CC3)CC2)C1 ZINC001246070688 812563181 /nfs/dbraw/zinc/56/31/81/812563181.db2.gz OYKMSTKIEJBVSQ-GDBMZVCRSA-N 3 0 326.485 -0.651 20 0 EBADRP O=C([C@@H]1C[C@@H](NC[C@]2(O)CCCC[NH2+]C2)C[NH2+]1)N1CCSC1 ZINC001246098209 812564386 /nfs/dbraw/zinc/56/43/86/812564386.db2.gz QAGZNPDEJVTNKK-IPYPFGDCSA-N 2 0 328.482 -0.656 20 0 EBADRP O=C([C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)CN1)N1CCSC1 ZINC001246132953 812565840 /nfs/dbraw/zinc/56/58/40/812565840.db2.gz GQOJGZQJYCYGNQ-POQQGIQPSA-N 2 0 326.466 -0.784 20 0 EBADRP O=C([C@@H]1C[C@@H](NC2C[C@@H]3COC[C@H](C2)[NH2+]3)C[NH2+]1)N1CCSC1 ZINC001246137423 812566027 /nfs/dbraw/zinc/56/60/27/812566027.db2.gz YIZWDNFXHUDVIK-ZGHZMMAESA-N 2 0 326.466 -0.641 20 0 EBADRP O=C([C@@H]1C[C@@H](N[C@@H]2[C@H]3C[NH2+]C[C@@H]2COC3)C[NH2+]1)N1CCSC1 ZINC001246148282 812567156 /nfs/dbraw/zinc/56/71/56/812567156.db2.gz LKJDBIZOSUYCMZ-BJJPWKGXSA-N 2 0 326.466 -0.926 20 0 EBADRP O=C([C@@H]1C[C@H](N[C@@H]2[C@H]3C[NH2+]C[C@@H]2COC3)C[NH2+]1)N1CCSC1 ZINC001246148285 812567179 /nfs/dbraw/zinc/56/71/79/812567179.db2.gz LKJDBIZOSUYCMZ-ZUWCUPBKSA-N 2 0 326.466 -0.926 20 0 EBADRP O=C([C@@H]1C[C@@H](N[C@H]2COC3(C2)CC[NH2+]CC3)C[NH2+]1)N1CCSC1 ZINC001246186777 812567337 /nfs/dbraw/zinc/56/73/37/812567337.db2.gz ZCSREZIQKISJJW-MCIONIFRSA-N 2 0 340.493 -0.250 20 0 EBADRP COC(=O)C1(N[C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[NH2+]CC1 ZINC001246185843 812567373 /nfs/dbraw/zinc/56/73/73/812567373.db2.gz CNDDSHDYIXBNDB-NEPJUHHUSA-N 2 0 342.465 -0.865 20 0 EBADRP [NH3+]CCOCCOCCOCCOCC[NH2+]C1C[C@@H]2C=C[C@H](C1)[NH2+]2 ZINC001246212909 812568332 /nfs/dbraw/zinc/56/83/32/812568332.db2.gz SLGPWDCOTCDEES-SJPCQFCGSA-N 3 0 343.468 -0.340 20 0 EBADRP COC(=O)C1C[C@@H]2CC(N[C@H]3CC[NH2+]C[C@H]3C(=O)OC)C[C@H](C1)[NH2+]2 ZINC001246327936 812570805 /nfs/dbraw/zinc/57/08/05/812570805.db2.gz KHFIXZPVEVQNTA-APVKYZDHSA-N 2 0 339.436 -0.201 20 0 EBADRP CCC(CC)[C@@H]([NH2+][C@H]1CNC(=O)C1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001246410819 812571657 /nfs/dbraw/zinc/57/16/57/812571657.db2.gz MJKHKZZZNJJZTO-MSLYRXCPSA-N 2 0 341.452 -0.233 20 0 EBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](NC(=O)C[NH+](C)C)CC2)CN1 ZINC001246393370 812571814 /nfs/dbraw/zinc/57/18/14/812571814.db2.gz DXUROAMRVYFRNI-XUXIUFHCSA-N 2 0 326.441 -0.532 20 0 EBADRP CC1(C)C[NH2+]C[C@H](CN[C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)O1 ZINC001246411260 812572184 /nfs/dbraw/zinc/57/21/84/812572184.db2.gz ATROVDRXARSUGS-UPJWGTAASA-N 2 0 328.482 -0.394 20 0 EBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)C[C@H]1C(=O)OC ZINC001246420224 812572940 /nfs/dbraw/zinc/57/29/40/812572940.db2.gz YEVKWXIGGPXLLU-LPWJVIDDSA-N 2 0 343.424 -0.310 20 0 EBADRP C[C@H]1CC[C@H](n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)C[NH2+]1 ZINC001246482281 812573862 /nfs/dbraw/zinc/57/38/62/812573862.db2.gz MYMPBXWOONWQNH-JURCDPSOSA-N 2 0 348.451 -0.458 20 0 EBADRP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)C[C@@H]1C(=O)OC ZINC001246555332 812574843 /nfs/dbraw/zinc/57/48/43/812574843.db2.gz XKBPLMSVSPBBSI-JFILPPLUSA-N 2 0 328.409 -0.097 20 0 EBADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2CCC[C@](O)(C[NH3+])CC2)C[C@@H]1C(=O)OC ZINC001246555356 812574977 /nfs/dbraw/zinc/57/49/77/812574977.db2.gz XKBPLMSVSPBBSI-OQMKEHIESA-N 2 0 328.409 -0.097 20 0 EBADRP CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CN[C@H](C(=O)OC)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246683277 812580185 /nfs/dbraw/zinc/58/01/85/812580185.db2.gz QIGWDPHGJDMZIY-WSMBLCCSSA-N 2 0 339.436 -0.245 20 0 EBADRP COC(=O)[C@@H]1CC[C@@H]([NH+]2CCC(C(=O)N3CC[NH2+]CC3)CC2)CN1 ZINC001246674090 812580292 /nfs/dbraw/zinc/58/02/92/812580292.db2.gz NJHNLHHUYQHGAN-CABCVRRESA-N 2 0 338.452 -0.576 20 0 EBADRP CC(C)NC(=O)[C@H]1COC[C@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246738431 812584991 /nfs/dbraw/zinc/58/49/91/812584991.db2.gz NEQGVXWERDWNPA-QXSJWSMHSA-N 2 0 336.480 -0.201 20 0 EBADRP C[C@H]1C[C@H](N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)CC[NH2+]1 ZINC001246736662 812585071 /nfs/dbraw/zinc/58/50/71/812585071.db2.gz NIPACKMQTKQBBY-QWHCGFSZSA-N 2 0 341.481 -0.069 20 0 EBADRP Cn1cc(N2C[C@@H]3C[N@@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)C[C@@H]3C2=O)cn1 ZINC001246802547 812589454 /nfs/dbraw/zinc/58/94/54/812589454.db2.gz NRKTWHNVIMLRLG-GUTXKFCHSA-N 2 0 330.436 -0.591 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@@H]1CCN[C@@H](C(F)(F)F)C1 ZINC001246926877 812593244 /nfs/dbraw/zinc/59/32/44/812593244.db2.gz WUVXSXWJHXAMJG-VXGBXAGGSA-N 3 0 339.406 -0.215 20 0 EBADRP CCOC(=O)[C@H]1CC[C@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])C1 ZINC001246925536 812593258 /nfs/dbraw/zinc/59/32/58/812593258.db2.gz NLXQBFXUNKGVPQ-KBPBESRZSA-N 3 0 328.457 -0.166 20 0 EBADRP C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC001251847132 812636443 /nfs/dbraw/zinc/63/64/43/812636443.db2.gz YKDVYAAVWDVFCB-LBPRGKRZSA-N 2 0 332.364 -0.756 20 0 EBADRP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@@H+]1C ZINC001253368266 812678470 /nfs/dbraw/zinc/67/84/70/812678470.db2.gz GDLMBBGZMUZMJT-STQMWFEESA-N 2 0 336.440 -0.018 20 0 EBADRP [NH3+]CCCOCCOCCOCCC[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC001254316679 812700379 /nfs/dbraw/zinc/70/03/79/812700379.db2.gz ALSMFQQEPVKJEL-CQSZACIVSA-N 2 0 338.470 -0.448 20 0 EBADRP COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+]C[C@H](C[NH3+])C(=O)OC ZINC001257920063 812774260 /nfs/dbraw/zinc/77/42/60/812774260.db2.gz RXZPMTOGEXMBGO-MNOVXSKESA-N 2 0 338.426 -0.920 20 0 EBADRP O=C1CCC(=O)N1CC[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001261836977 812996285 /nfs/dbraw/zinc/99/62/85/812996285.db2.gz QMWWVJCEVXUYAL-OLZOCXBDSA-N 2 0 336.392 -0.608 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081498522 813071154 /nfs/dbraw/zinc/07/11/54/813071154.db2.gz BPDOQPHXFLTPOD-LSDHHAIUSA-N 2 0 340.468 -0.641 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081500150 813077016 /nfs/dbraw/zinc/07/70/16/813077016.db2.gz ROXQLAHMCVPUIC-GJZGRUSLSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081504354 813091680 /nfs/dbraw/zinc/09/16/80/813091680.db2.gz ZODWXGMHQSPDCK-GJZGRUSLSA-N 2 0 340.468 -0.641 20 0 EBADRP O=C(NCCCCCN1CC[NH2+]CC1)NCCN1CC[NH2+]CC1 ZINC001262583736 813098147 /nfs/dbraw/zinc/09/81/47/813098147.db2.gz HWSJTVZYAJUCLW-UHFFFAOYSA-N 2 0 326.489 -0.734 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CCSC1 ZINC001263095416 813107362 /nfs/dbraw/zinc/10/73/62/813107362.db2.gz LPDFJLNZIVZCHT-SWLSCSKDSA-N 2 0 328.482 -0.263 20 0 EBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCC[NH+]1CCC(C(=O)OC)CC1 ZINC001263113215 813108259 /nfs/dbraw/zinc/10/82/59/813108259.db2.gz BUYJHWJSTYALER-JSGCOSHPSA-N 2 0 329.441 -0.406 20 0 EBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)[C@H]1C[NH2+]CCC1(F)F)C2 ZINC001263188794 813108853 /nfs/dbraw/zinc/10/88/53/813108853.db2.gz ASNJPDGILGPIKE-OXIWPEFWSA-N 2 0 331.363 -0.030 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)[C@H](O)C1 ZINC001081564024 813189459 /nfs/dbraw/zinc/18/94/59/813189459.db2.gz FKWBGMNTEHYMSO-UKRRQHHQSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)[C@H](C)C(=O)NC(N)=O)CC[N@@H+]1C ZINC001264987975 813212425 /nfs/dbraw/zinc/21/24/25/813212425.db2.gz SYNZAVWGFCHHHW-FRRDWIJNSA-N 2 0 341.456 -0.262 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001264997932 813216128 /nfs/dbraw/zinc/21/61/28/813216128.db2.gz ZGUVHDGNOCPJRO-STQMWFEESA-N 2 0 343.472 -0.145 20 0 EBADRP CCCNC(=O)NC(=O)C[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001265021301 813222385 /nfs/dbraw/zinc/22/23/85/813222385.db2.gz LBAYWBPQJAQVSC-CYBMUJFWSA-N 2 0 341.456 -0.246 20 0 EBADRP C[N@H+](CCCNC(=O)[C@@]12CC[NH+](C1)CCC2)CCN1CCNC1=O ZINC001265063194 813231437 /nfs/dbraw/zinc/23/14/37/813231437.db2.gz CJMCAALGJJZNDV-KRWDZBQOSA-N 2 0 337.468 -0.064 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001265422734 813322201 /nfs/dbraw/zinc/32/22/01/813322201.db2.gz YHOAWNPOQWFIIH-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001265454327 813327251 /nfs/dbraw/zinc/32/72/51/813327251.db2.gz MSADOVQTVAAYEW-KBPBESRZSA-N 2 0 331.482 -0.047 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001081634854 813337030 /nfs/dbraw/zinc/33/70/30/813337030.db2.gz NFBXJLPXQMEFIV-LSDHHAIUSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001265544884 813337881 /nfs/dbraw/zinc/33/78/81/813337881.db2.gz PXNVEJQKGKBEKI-FRRDWIJNSA-N 2 0 339.440 -0.495 20 0 EBADRP CC(C)NC(=O)NCC[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001265851576 813385716 /nfs/dbraw/zinc/38/57/16/813385716.db2.gz PEPJGUXHWYFGEH-CYBMUJFWSA-N 2 0 325.457 -0.116 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081701563 813440414 /nfs/dbraw/zinc/44/04/14/813440414.db2.gz XHFPEFNKYYEMEO-GJZGRUSLSA-N 2 0 342.484 -0.395 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C1CC1)[C@H]1CCC(=O)NC1=O ZINC001266125565 813462682 /nfs/dbraw/zinc/46/26/82/813462682.db2.gz FMSTTZNYXLIALQ-KBPBESRZSA-N 2 0 336.436 -0.144 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1O ZINC001081732333 813486752 /nfs/dbraw/zinc/48/67/52/813486752.db2.gz GOKVEVMSIHIECH-GJZGRUSLSA-N 2 0 340.468 -0.785 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1O ZINC001081732332 813486906 /nfs/dbraw/zinc/48/69/06/813486906.db2.gz GOKVEVMSIHIECH-CABCVRRESA-N 2 0 340.468 -0.785 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CCN1C(=O)CNC1=O)C1CC1 ZINC001266424266 813565109 /nfs/dbraw/zinc/56/51/09/813565109.db2.gz OHFYHTOJCVHNQO-QWHCGFSZSA-N 2 0 337.424 -0.883 20 0 EBADRP CC(C)NC(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001266542349 813602619 /nfs/dbraw/zinc/60/26/19/813602619.db2.gz PNHJKUYGLQQVPE-UONOGXRCSA-N 2 0 325.457 -0.021 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001266583043 813614252 /nfs/dbraw/zinc/61/42/52/813614252.db2.gz KQVCPUPQRZGVBV-AJNGGQMLSA-N 2 0 340.468 -0.141 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001266685637 813639898 /nfs/dbraw/zinc/63/98/98/813639898.db2.gz KFQKFDYUTZDJMJ-APIJFGDWSA-N 2 0 340.468 -0.284 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CCN1CCNC1=O ZINC001266699162 813644315 /nfs/dbraw/zinc/64/43/15/813644315.db2.gz DJAHULUXHLNRMV-CQSZACIVSA-N 2 0 325.457 -0.068 20 0 EBADRP CC[C@H](C(=O)N(C)CC[NH2+]CCN1C(=O)NC(C)(C)C1=O)[NH+](C)C ZINC001266741011 813657785 /nfs/dbraw/zinc/65/77/85/813657785.db2.gz HKZRFCIGSJIVSY-GFCCVEGCSA-N 2 0 341.456 -0.295 20 0 EBADRP CN(CC[NH2+]C[C@H](O)CN1CCCC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001266826895 813679043 /nfs/dbraw/zinc/67/90/43/813679043.db2.gz ANSUEYWMTRWZIF-HNNXBMFYSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CCN1C(=O)CNC1=O ZINC001266971307 813714545 /nfs/dbraw/zinc/71/45/45/813714545.db2.gz LDQPLVGMOJXNPE-GFCCVEGCSA-N 2 0 341.456 -0.390 20 0 EBADRP CC[C@@H](C(=O)N(C)CC[NH2+]CC(=O)NC(=O)NC(C)(C)C)[NH+](C)C ZINC001266988619 813722581 /nfs/dbraw/zinc/72/25/81/813722581.db2.gz LVIHRFFVHBDEEX-LBPRGKRZSA-N 2 0 343.472 -0.001 20 0 EBADRP CN(CC[NH2+]CC(=O)Nc1cnccn1)C(=O)CCc1cncn1C ZINC001267019751 813735772 /nfs/dbraw/zinc/73/57/72/813735772.db2.gz GUVKLGUJCPMYTB-UHFFFAOYSA-N 2 0 345.407 -0.171 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001267022698 813737230 /nfs/dbraw/zinc/73/72/30/813737230.db2.gz MIKKWFDVPFBSAM-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP CS(=O)(=O)NCC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001267069013 813751645 /nfs/dbraw/zinc/75/16/45/813751645.db2.gz NBYPZBMWSZVUJB-ZDUSSCGKSA-N 2 0 332.470 -0.931 20 0 EBADRP C[C@@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001267134832 813768061 /nfs/dbraw/zinc/76/80/61/813768061.db2.gz YAJIMEWLQNAEIX-QWHCGFSZSA-N 2 0 336.436 -0.096 20 0 EBADRP CC(=O)NCCOCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001267263677 813809298 /nfs/dbraw/zinc/80/92/98/813809298.db2.gz LKDSUSADRDGMML-CVEARBPZSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(=O)NCCOCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001267263681 813810135 /nfs/dbraw/zinc/81/01/35/813810135.db2.gz LKDSUSADRDGMML-HOTGVXAUSA-N 2 0 340.468 -0.186 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)NC(=O)NC ZINC001267380356 813868098 /nfs/dbraw/zinc/86/80/98/813868098.db2.gz JBWZIPNHPHSURW-LBPRGKRZSA-N 2 0 327.429 -0.636 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001267416214 813885461 /nfs/dbraw/zinc/88/54/61/813885461.db2.gz HVPKRJNWNCVMIV-LBPRGKRZSA-N 2 0 327.429 -0.649 20 0 EBADRP C[C@@H](C[NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2)CS(C)(=O)=O ZINC001267456830 813902087 /nfs/dbraw/zinc/90/20/87/813902087.db2.gz LBAGKDZXHSHUGC-ZDUSSCGKSA-N 2 0 331.482 -0.189 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CC[NH2+]CCc1cnn(C)c1 ZINC001267469790 813907804 /nfs/dbraw/zinc/90/78/04/813907804.db2.gz UULOBFIJJKHLFP-OAHLLOKOSA-N 2 0 337.468 -0.021 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC001267592317 813944850 /nfs/dbraw/zinc/94/48/50/813944850.db2.gz REIJJGQGYALAAE-KGLIPLIRSA-N 2 0 338.452 -0.086 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082520320 813961604 /nfs/dbraw/zinc/96/16/04/813961604.db2.gz PAHITAKQCNSURO-KBUPBQIOSA-N 2 0 337.468 -0.212 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1)[NH+](C)C ZINC001082589190 813975151 /nfs/dbraw/zinc/97/51/51/813975151.db2.gz NOCICXURBYJDST-MGPQQGTHSA-N 2 0 325.457 -0.212 20 0 EBADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001082798351 814009927 /nfs/dbraw/zinc/00/99/27/814009927.db2.gz PCLXIECPVOJIJW-BPLDGKMQSA-N 2 0 348.451 -0.617 20 0 EBADRP C[C@@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268092152 814123019 /nfs/dbraw/zinc/12/30/19/814123019.db2.gz BLCXGDLTQBOIBL-QWHCGFSZSA-N 2 0 334.486 -0.686 20 0 EBADRP CCN(CC[NH2+]CC(=O)Nc1cnccn1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268439555 814243789 /nfs/dbraw/zinc/24/37/89/814243789.db2.gz REBAMRPCKPODIM-CYBMUJFWSA-N 2 0 334.424 -0.053 20 0 EBADRP CCN(CC[NH2+]CC(=O)NC(N)=O)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001268486067 814261717 /nfs/dbraw/zinc/26/17/17/814261717.db2.gz LREHKFMTNNUHPM-OLZOCXBDSA-N 2 0 339.440 -0.364 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001268525316 814275206 /nfs/dbraw/zinc/27/52/06/814275206.db2.gz XDPWUXRLAKHRTN-MQQKUOPWSA-N 2 0 338.452 -0.362 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001268631056 814331781 /nfs/dbraw/zinc/33/17/81/814331781.db2.gz VTIVWKMYLHPNPL-NFAHFFEMSA-N 2 0 340.468 -0.164 20 0 EBADRP CCS(=O)(=O)NCCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001268965648 814459364 /nfs/dbraw/zinc/45/93/64/814459364.db2.gz TVNCNTZMYPGCOY-KBPBESRZSA-N 2 0 346.497 -0.447 20 0 EBADRP CN(CCC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)CCCn1ccnc1 ZINC001268964274 814459404 /nfs/dbraw/zinc/45/94/04/814459404.db2.gz LXBXQXNENVKMCE-CYBMUJFWSA-N 2 0 335.408 -0.093 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2O)CC[N@@H+]1C ZINC001083473243 814468919 /nfs/dbraw/zinc/46/89/19/814468919.db2.gz PWPOBKUEAPJFDE-MIGQKNRLSA-N 2 0 325.453 -0.086 20 0 EBADRP C[NH+](C)CCN1C[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)OCC1=O ZINC001269084676 814522772 /nfs/dbraw/zinc/52/27/72/814522772.db2.gz ROZKFTTZKGDGDY-YOEHRIQHSA-N 2 0 338.452 -0.528 20 0 EBADRP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1 ZINC001083668922 814676949 /nfs/dbraw/zinc/67/69/49/814676949.db2.gz MEDKOFBIFZJGQB-XYPHTWIQSA-N 2 0 335.448 -0.054 20 0 EBADRP CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001269432928 814691192 /nfs/dbraw/zinc/69/11/92/814691192.db2.gz OYHDSDBARBICCR-CHWSQXEVSA-N 2 0 336.436 -0.096 20 0 EBADRP Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083749536 814753430 /nfs/dbraw/zinc/75/34/30/814753430.db2.gz DUCZODWSOSTPKP-CVEARBPZSA-N 2 0 335.452 -0.534 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](C[C@@H]3CCOC3)C[C@@H]2O)C1 ZINC001083782577 815601953 /nfs/dbraw/zinc/60/19/53/815601953.db2.gz BDQTXXUWZUVBFZ-ZNMIVQPWSA-N 2 0 325.453 -0.084 20 0 EBADRP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001083851102 815649364 /nfs/dbraw/zinc/64/93/64/815649364.db2.gz NESPSQPNDVUWID-CFVMTHIKSA-N 2 0 339.440 -0.746 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CCNS(C)(=O)=O)CC1 ZINC001270259931 815737265 /nfs/dbraw/zinc/73/72/65/815737265.db2.gz YLSGXXCFTWLMFX-CQSZACIVSA-N 2 0 346.497 -0.542 20 0 EBADRP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)C3([NH+](C)C)CC3)C[C@@]2(F)C1=O ZINC001270732953 815871774 /nfs/dbraw/zinc/87/17/74/815871774.db2.gz UFGCVYKROXXNKE-HZPDHXFCSA-N 2 0 344.406 -0.257 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001270921020 815931718 /nfs/dbraw/zinc/93/17/18/815931718.db2.gz DHFZHOIWIFQQSP-STQMWFEESA-N 2 0 334.486 -0.544 20 0 EBADRP O=C(N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001084778065 815981046 /nfs/dbraw/zinc/98/10/46/815981046.db2.gz DBFVFBINMGEJBN-HUUCEWRRSA-N 2 0 347.463 -0.360 20 0 EBADRP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001084992924 816008314 /nfs/dbraw/zinc/00/83/14/816008314.db2.gz ZXXQHMMIIAJKLN-PLQZLIEUSA-N 2 0 335.448 -0.235 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001086047473 816213994 /nfs/dbraw/zinc/21/39/94/816213994.db2.gz RLJMVKMMIMNIIE-KBXIAJHMSA-N 2 0 343.493 0.000 20 0 EBADRP O=C(NC[C@@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001086153212 816249610 /nfs/dbraw/zinc/24/96/10/816249610.db2.gz YTCDLSGPKLKELD-FBZGFHCTSA-N 2 0 348.447 -0.778 20 0 EBADRP O=C(NC[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001086368275 816309247 /nfs/dbraw/zinc/30/92/47/816309247.db2.gz YEWLZVUVMNMDLD-BPUTZDHNSA-N 2 0 349.479 -0.162 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001086371404 816310079 /nfs/dbraw/zinc/31/00/79/816310079.db2.gz HGSAJHTULGYNKQ-KBUPBQIOSA-N 2 0 337.468 -0.164 20 0 EBADRP Cc1nnc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)[nH]1 ZINC001086373202 816311081 /nfs/dbraw/zinc/31/10/81/816311081.db2.gz PBKWLUUOTVZKJD-KBUPBQIOSA-N 2 0 348.451 -0.039 20 0 EBADRP O=C(NC[C@H]1C[C@H]([NH2+]CCn2cncn2)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001086373282 816311320 /nfs/dbraw/zinc/31/13/20/816311320.db2.gz RRHIHRBQOCMZML-VGWMRTNUSA-N 2 0 348.451 -0.374 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001086552003 816372245 /nfs/dbraw/zinc/37/22/45/816372245.db2.gz SJKFIHXQOJRPML-MGPQQGTHSA-N 2 0 336.436 -0.429 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001086984280 816434739 /nfs/dbraw/zinc/43/47/39/816434739.db2.gz ILMRTXVRCWNTES-BFHYXJOUSA-N 2 0 336.440 -0.870 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCn3ccnc3)C[C@H]21 ZINC001272565631 816476973 /nfs/dbraw/zinc/47/69/73/816476973.db2.gz NZVYFMYIFUQYEX-GVDBMIGSSA-N 2 0 346.479 -0.338 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001272993833 816565334 /nfs/dbraw/zinc/56/53/34/816565334.db2.gz KJMRZPZLVDNVHO-NSHDSACASA-N 2 0 327.429 -0.732 20 0 EBADRP C[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCNC4=O)CC[C@@H]3C2)CC1 ZINC001088090460 816625522 /nfs/dbraw/zinc/62/55/22/816625522.db2.gz PWXUKRKOWUWBFG-PMPSAXMXSA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001088201992 816647645 /nfs/dbraw/zinc/64/76/45/816647645.db2.gz FSIFTHJODBQJJY-XHSDSOJGSA-N 2 0 325.453 -0.273 20 0 EBADRP CC[C@@H](C(N)=O)[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273705271 816733382 /nfs/dbraw/zinc/73/33/82/816733382.db2.gz XPOLLKXSQYAAQB-BBRMVZONSA-N 2 0 326.441 -0.637 20 0 EBADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](CCCCCC(N)=O)C2)OCC1=O ZINC001273761220 816750700 /nfs/dbraw/zinc/75/07/00/816750700.db2.gz DINFNYSOPYBJLI-QGZVFWFLSA-N 2 0 340.468 -0.103 20 0 EBADRP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@H+](C[C@H]3COCCO3)C2)C1=O ZINC001273774553 816757676 /nfs/dbraw/zinc/75/76/76/816757676.db2.gz PYAQMMOTOFCKEW-YOEHRIQHSA-N 2 0 339.436 -0.196 20 0 EBADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@H+](CC(=O)NC3CC3)C2)C1=O ZINC001273829933 816775993 /nfs/dbraw/zinc/77/59/93/816775993.db2.gz RNUXPFSNEQBTPG-QGZVFWFLSA-N 2 0 336.436 -0.332 20 0 EBADRP CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273900221 816802555 /nfs/dbraw/zinc/80/25/55/816802555.db2.gz ZYBJDOUGJHKUNH-WMLDXEAASA-N 2 0 341.452 -0.214 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001273910329 816806568 /nfs/dbraw/zinc/80/65/68/816806568.db2.gz PEJIXCVKLVEOTH-ITKZLYELSA-N 2 0 325.413 -0.812 20 0 EBADRP CCN1CCO[C@H](C(=O)N2CCC[C@@](CO)([NH2+]CCCOC)C2)C1 ZINC001273937521 816815491 /nfs/dbraw/zinc/81/54/91/816815491.db2.gz UMRNDSPGSSKQBI-DOTOQJQBSA-N 2 0 343.468 -0.313 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2(C[NH2+]CCOCCO)CCOCC2)C1 ZINC001274014075 816841355 /nfs/dbraw/zinc/84/13/55/816841355.db2.gz FKXVINJZLNRTPN-AWEZNQCLSA-N 2 0 329.441 -0.798 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001274076491 816861988 /nfs/dbraw/zinc/86/19/88/816861988.db2.gz PSTVGDDQJYMFIZ-JHZNUDOXSA-N 2 0 336.436 -0.072 20 0 EBADRP C[C@H]([NH2+]C/C=C\CNC(=O)C1([NH+](C)C)CCC1)C(=O)NC(N)=O ZINC001274090121 816865642 /nfs/dbraw/zinc/86/56/42/816865642.db2.gz VNUJFSJEYUFRBV-WYGGZMRJSA-N 2 0 325.413 -0.684 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC/C=C\C[NH2+]CC(=O)NC(N)=O ZINC001274104261 816869979 /nfs/dbraw/zinc/86/99/79/816869979.db2.gz AZULXDGHBHCCAJ-DLGQBQFBSA-N 2 0 325.413 -0.682 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CCN1C(=O)CNC1=O ZINC001274132591 816877047 /nfs/dbraw/zinc/87/70/47/816877047.db2.gz BPNQYZOBBIQGEP-SCOBNMCVSA-N 2 0 337.424 -0.716 20 0 EBADRP CN1CCN(c2cnccc2C(=O)N2C[C@H]3CN(C)C[C@@H](C2)O3)CC1 ZINC001274331385 816933646 /nfs/dbraw/zinc/93/36/46/816933646.db2.gz ITHJSVCHVAENTK-GASCZTMLSA-N 2 0 345.447 -0.012 20 0 EBADRP CC[C@@H](C(=O)NC/C=C\C[NH2+][C@@H](C)C(=O)NC(=O)NC)[NH+](C)C ZINC001274371608 816943094 /nfs/dbraw/zinc/94/30/94/816943094.db2.gz XTWDUULIKYZZSJ-XPOJSHTGSA-N 2 0 327.429 -0.567 20 0 EBADRP CC(C)c1nccn1CC(=O)NC/C=C/C[NH2+]CC(=O)NC(N)=O ZINC001274404016 816949408 /nfs/dbraw/zinc/94/94/08/816949408.db2.gz HEIIXPFDWNUNGZ-ONEGZZNKSA-N 2 0 336.396 -0.537 20 0 EBADRP CCOC[C@H](O)C[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274568279 817014825 /nfs/dbraw/zinc/01/48/25/817014825.db2.gz VJAMMAMYEPGIPR-PBHICJAKSA-N 2 0 341.452 -0.214 20 0 EBADRP Cn1nccc1CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001274580797 817021481 /nfs/dbraw/zinc/02/14/81/817021481.db2.gz KZHZVPCTRZQRCD-OAHLLOKOSA-N 2 0 349.479 -0.143 20 0 EBADRP COC(=O)[C@H](O)C[N@@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001274604550 817031010 /nfs/dbraw/zinc/03/10/10/817031010.db2.gz VOHRODGOUBHQTD-PBHICJAKSA-N 2 0 341.452 -0.214 20 0 EBADRP C[NH+](C)CCN1C(=O)COCC12C[NH+](CC1(O)CCOCC1)C2 ZINC001274646035 817058993 /nfs/dbraw/zinc/05/89/93/817058993.db2.gz MLAFSCAEYMPAIO-UHFFFAOYSA-N 2 0 327.425 -0.997 20 0 EBADRP C[C@@H](C[NH2+]CCOCC(F)(F)F)NC(=O)[C@@H]1CN(C)CCO1 ZINC001275105246 817151055 /nfs/dbraw/zinc/15/10/55/817151055.db2.gz PEUCFHRIXNUJHS-QWRGUYRKSA-N 2 0 327.347 -0.010 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001275916102 817314266 /nfs/dbraw/zinc/31/42/66/817314266.db2.gz UNJQZCWNJBYPGD-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP O=C(N[C@@H]1CC[N@@H+](CCO)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001090425110 817389404 /nfs/dbraw/zinc/38/94/04/817389404.db2.gz KWHRCUPOYYUPFZ-UKRRQHHQSA-N 2 0 331.376 -0.575 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](CCN2C(=O)CCC2=O)C1 ZINC001276469161 817410332 /nfs/dbraw/zinc/41/03/32/817410332.db2.gz SWJJFEHVCGXSNZ-CYBMUJFWSA-N 2 0 338.452 -0.088 20 0 EBADRP Cn1ncnc1C(=O)N1C[C@@H]2C[N@@H+](CC3CC[NH+](C)CC3)C[C@H](C1)O2 ZINC001276696266 817453944 /nfs/dbraw/zinc/45/39/44/817453944.db2.gz KORLIEBPUGBTNU-GASCZTMLSA-N 2 0 348.451 -0.318 20 0 EBADRP CN(C)S(=O)(=O)N1CCO[C@H]2C[N@H+](CC3CC[NH+](C)CC3)C[C@H]21 ZINC001276696643 817454064 /nfs/dbraw/zinc/45/40/64/817454064.db2.gz UGPRVMPFWHUUQL-CABCVRRESA-N 2 0 346.497 -0.480 20 0 EBADRP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090519452 817500845 /nfs/dbraw/zinc/50/08/45/817500845.db2.gz HMXYJIHBHVGPOB-UONOGXRCSA-N 2 0 325.409 -0.111 20 0 EBADRP C[N@H+](CCOCCNC(=O)[C@H]1CCC[NH+]1C)[C@H]1CCCNC1=O ZINC001277476017 817574114 /nfs/dbraw/zinc/57/41/14/817574114.db2.gz KNINIZZMBGSRBR-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](CCCN3CC[NH+](C)CC3)C[C@@H]21 ZINC001278118317 817702885 /nfs/dbraw/zinc/70/28/85/817702885.db2.gz LGJLDONTYWGFTD-ROUUACIJSA-N 3 0 339.528 -0.430 20 0 EBADRP O=C(NC[C@H](CO)[NH2+]CCO[C@@H]1CC1(F)F)C12CC[NH+](CC1)C2 ZINC001278178163 817718921 /nfs/dbraw/zinc/71/89/21/817718921.db2.gz CJHCMTIESLXCEY-VXGBXAGGSA-N 2 0 333.379 -0.427 20 0 EBADRP Cc1noc(CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001278737577 817801409 /nfs/dbraw/zinc/80/14/09/817801409.db2.gz QDFIFMZCLTXKIS-KBPBESRZSA-N 2 0 339.440 -0.186 20 0 EBADRP C[C@@H]([NH2+]CCOCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001279437105 817932089 /nfs/dbraw/zinc/93/20/89/817932089.db2.gz QZQRRBDLIVMAQG-MJBXVCDLSA-N 2 0 328.457 -0.345 20 0 EBADRP C[C@H]([NH2+]CCOCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001279437103 817932345 /nfs/dbraw/zinc/93/23/45/817932345.db2.gz QZQRRBDLIVMAQG-IHRRRGAJSA-N 2 0 328.457 -0.345 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[C@H](CC[NH2+]CC(N)=O)C1 ZINC001280094195 818018924 /nfs/dbraw/zinc/01/89/24/818018924.db2.gz JQKTUGOYWGBTSL-AWEZNQCLSA-N 2 0 340.468 -0.342 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](CC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001280252021 818029829 /nfs/dbraw/zinc/02/98/29/818029829.db2.gz PAGYNULZSVVHCU-CYBMUJFWSA-N 2 0 338.456 -0.222 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001093774298 818099486 /nfs/dbraw/zinc/09/94/86/818099486.db2.gz HBECXOUFQRHYBM-BPLDGKMQSA-N 2 0 347.467 -0.264 20 0 EBADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]CCCS(C)(=O)=O ZINC001281464328 818190954 /nfs/dbraw/zinc/19/09/54/818190954.db2.gz WXHKIIDBXSITAX-KBPBESRZSA-N 2 0 331.482 -0.047 20 0 EBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[N@H+](C)CCN1C(=O)CCC1=O ZINC001282448867 818432699 /nfs/dbraw/zinc/43/26/99/818432699.db2.gz HQXMQXFQVVHYSR-CYBMUJFWSA-N 2 0 338.452 -0.086 20 0 EBADRP CC[C@H](C(=O)N[C@@H](C)C1C[NH+](CCN2C(=O)CCC2=O)C1)[NH+](C)C ZINC001282736654 818482117 /nfs/dbraw/zinc/48/21/17/818482117.db2.gz FRTBYAQIRWZSAY-GXTWGEPZSA-N 2 0 338.452 -0.088 20 0 EBADRP C[C@@H](COCC(=O)NCCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+]1CCCC1 ZINC001283026332 818591382 /nfs/dbraw/zinc/59/13/82/818591382.db2.gz WRTOPTVDNRNRNJ-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001283121301 818662817 /nfs/dbraw/zinc/66/28/17/818662817.db2.gz CGLPVRHIHLQTAZ-HUUCEWRRSA-N 2 0 340.468 -0.330 20 0 EBADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]CC(=O)NC(N)=O ZINC001283174756 818685830 /nfs/dbraw/zinc/68/58/30/818685830.db2.gz ZHSSWPFTMMFASF-CHWSQXEVSA-N 2 0 341.456 -0.071 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001283278264 818734673 /nfs/dbraw/zinc/73/46/73/818734673.db2.gz KADDLOMSQUICKT-STQMWFEESA-N 2 0 341.456 -0.342 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001283335965 818762307 /nfs/dbraw/zinc/76/23/07/818762307.db2.gz QFOXLPFFXDQDSS-ZIAGYGMSSA-N 2 0 326.441 -0.624 20 0 EBADRP CN1CC[C@@H]([N@H+](C)CCOCCNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001283408953 818800230 /nfs/dbraw/zinc/80/02/30/818800230.db2.gz UTUUXEPGKFZKPO-OAHLLOKOSA-N 2 0 340.468 -0.377 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)[C@@H](C[NH2+][C@@H]1CCC(=O)NC1=O)C1CC1 ZINC001283553570 818853493 /nfs/dbraw/zinc/85/34/93/818853493.db2.gz NTBFAPXPDKXKCI-KGLIPLIRSA-N 2 0 338.452 -0.040 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)[C@H](C[NH2+][C@@H]1CCC(=O)NC1=O)C1CC1 ZINC001283553574 818853731 /nfs/dbraw/zinc/85/37/31/818853731.db2.gz NTBFAPXPDKXKCI-ZIAGYGMSSA-N 2 0 338.452 -0.040 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]CCO[C@H]2CC2(F)F)CC1 ZINC001283803394 818960081 /nfs/dbraw/zinc/96/00/81/818960081.db2.gz JKUQKEYVDDELNW-STQMWFEESA-N 2 0 335.395 -0.181 20 0 EBADRP CC(C)[C@H](C(=O)N[C@H]1CCN(C(=O)COCC[NH+](C)C)C1)[NH+](C)C ZINC001283878876 819015510 /nfs/dbraw/zinc/01/55/10/819015510.db2.gz FYIWFXQEFPPAFT-GOEBONIOSA-N 2 0 342.484 -0.132 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)[C@H]1C ZINC001283925464 819030849 /nfs/dbraw/zinc/03/08/49/819030849.db2.gz DAROVZLBYIRXPV-CHWSQXEVSA-N 2 0 334.486 -0.544 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CCO)CC(N)=O)CC1 ZINC001098368829 819154650 /nfs/dbraw/zinc/15/46/50/819154650.db2.gz IWZWDCJOHAIRMX-HNNXBMFYSA-N 2 0 340.468 -0.370 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N2CCC([NH+](CCO)CCO)CC2)CC[N@@H+]1C ZINC001098460365 819198251 /nfs/dbraw/zinc/19/82/51/819198251.db2.gz IRCFZRAGYSVQIM-GJZGRUSLSA-N 2 0 327.469 -0.006 20 0 EBADRP CO[C@@H](C)C[N@H+](CCO)C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001098533268 819235738 /nfs/dbraw/zinc/23/57/38/819235738.db2.gz ZQVHMWRMELLTSQ-HNNXBMFYSA-N 2 0 345.484 -0.115 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCC([NH+](CCO)CC(N)=O)CC1 ZINC001098540339 819238421 /nfs/dbraw/zinc/23/84/21/819238421.db2.gz DNZXVHYKYAAMEG-UHFFFAOYSA-N 2 0 328.457 -0.511 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCC([N@@H+](CCO)CCOCCO)CC1 ZINC001098561837 819246690 /nfs/dbraw/zinc/24/66/90/819246690.db2.gz NWEUUTLRRPBONM-UHFFFAOYSA-N 2 0 343.468 -0.624 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H](C[NH2+][C@@H]1CCC(=O)NC1=O)C(C)(C)C ZINC001284623830 819306894 /nfs/dbraw/zinc/30/68/94/819306894.db2.gz BKKJQPWXASIZQH-VXGBXAGGSA-N 2 0 326.441 -0.136 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H](n2cc(C[NH2+]CCCO)nn2)C1)[NH+](C)C ZINC001098728082 819345364 /nfs/dbraw/zinc/34/53/64/819345364.db2.gz LPMWHRPGHUGKAG-CABCVRRESA-N 2 0 338.456 -0.136 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@H](n2cc(C[NH2+]C[C@@H](C)O)nn2)C1 ZINC001098751533 819353464 /nfs/dbraw/zinc/35/34/64/819353464.db2.gz OENLOQHQFFGBJG-HIFRSBDPSA-N 2 0 338.456 -0.136 20 0 EBADRP C[C@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001098779516 819364155 /nfs/dbraw/zinc/36/41/55/819364155.db2.gz HPAZMXKLSYHKSU-ZFWWWQNUSA-N 2 0 336.440 -0.382 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](n2cc(C[NH2+]C[C@@H](C)O)nn2)C1 ZINC001098789718 819367666 /nfs/dbraw/zinc/36/76/66/819367666.db2.gz IKYKRHVSNVQXDO-UKRRQHHQSA-N 2 0 338.456 -0.138 20 0 EBADRP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CCn2cccn2)C[C@H]1O)C1CCC1 ZINC001099879030 819819089 /nfs/dbraw/zinc/81/90/89/819819089.db2.gz DINFOFFLMNABNM-HZPDHXFCSA-N 2 0 335.452 -0.081 20 0 EBADRP Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099880355 819824207 /nfs/dbraw/zinc/82/42/07/819824207.db2.gz YTZKTTBAEWNAFT-SJORKVTESA-N 2 0 349.479 -0.002 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[NH+](CCOCCOC)C[C@H]1O ZINC001099899247 819864604 /nfs/dbraw/zinc/86/46/04/819864604.db2.gz PBVTYVHEOCFQKG-HUUCEWRRSA-N 2 0 345.484 -0.069 20 0 EBADRP O=C(N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O)c1ccn2c[nH+]cc2c1 ZINC001099907324 819896638 /nfs/dbraw/zinc/89/66/38/819896638.db2.gz ULTXBJMAFSPYEZ-CVEARBPZSA-N 2 0 348.403 -0.492 20 0 EBADRP O=C(N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O)c1ccc2c[nH+]cn2c1 ZINC001099916892 819914233 /nfs/dbraw/zinc/91/42/33/819914233.db2.gz VGJHXFQVZRYWIJ-JKSUJKDBSA-N 2 0 348.403 -0.492 20 0 EBADRP Cc1noc(CCC[N@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)n1 ZINC001099985476 819990732 /nfs/dbraw/zinc/99/07/32/819990732.db2.gz CTAYENFIAGHSIL-KGLIPLIRSA-N 2 0 339.440 -0.186 20 0 EBADRP C[N@H+](CC(=O)N[C@H]1CC[NH+](CCOCCO)C[C@@H]1O)CC(C)(C)C ZINC001100012726 820037458 /nfs/dbraw/zinc/03/74/58/820037458.db2.gz BUDQPJMHRIBTSG-GJZGRUSLSA-N 2 0 345.484 -0.475 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCN2CCCC2=O)C[C@H]1O ZINC001100063648 820144804 /nfs/dbraw/zinc/14/48/04/820144804.db2.gz ASOJFQQADMNKKN-HUUCEWRRSA-N 2 0 340.468 -0.498 20 0 EBADRP CC(C)OCC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100074621 820166518 /nfs/dbraw/zinc/16/65/18/820166518.db2.gz QBPCVKZFGVHCRB-HUUCEWRRSA-N 2 0 331.457 -0.459 20 0 EBADRP CC(C)COCC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076772 820172017 /nfs/dbraw/zinc/17/20/17/820172017.db2.gz QZOZDVXXSXJSSW-JKSUJKDBSA-N 2 0 345.484 -0.211 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCc2ccnn2C)C[C@@H]1O ZINC001100083492 820184425 /nfs/dbraw/zinc/18/44/25/820184425.db2.gz SYARFSHKNCOQJB-CVEARBPZSA-N 2 0 337.468 -0.144 20 0 EBADRP COCCOCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100131279 820267158 /nfs/dbraw/zinc/26/71/58/820267158.db2.gz AMKUTMHVMOEQLM-CABCVRRESA-N 2 0 331.457 -0.459 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001100187784 820307791 /nfs/dbraw/zinc/30/77/91/820307791.db2.gz MJGSXHHHKLEGTA-RUXDESIVSA-N 2 0 346.497 -0.496 20 0 EBADRP C[N@H+](CC(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1)C1CCC1 ZINC001100410540 820408419 /nfs/dbraw/zinc/40/84/19/820408419.db2.gz BDZNIEJMKZAOEC-UHFFFAOYSA-N 2 0 325.413 -0.850 20 0 EBADRP C[N@H+](CC(=O)NCC1CC([NH2+][C@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC001100410759 820408589 /nfs/dbraw/zinc/40/85/89/820408589.db2.gz LVGYUKVEHARGHZ-YIZWMMSDSA-N 2 0 336.436 -0.240 20 0 EBADRP NC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001100480422 820439200 /nfs/dbraw/zinc/43/92/00/820439200.db2.gz SDTQSCSRAUXHFI-UHFFFAOYSA-N 2 0 344.375 -0.373 20 0 EBADRP CN(CC[NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1)S(C)(=O)=O ZINC001100619787 820488820 /nfs/dbraw/zinc/48/88/20/820488820.db2.gz IDGQNSAFFSUVQU-UHFFFAOYSA-N 2 0 348.513 -0.296 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100619753 820488940 /nfs/dbraw/zinc/48/89/40/820488940.db2.gz GLSWLRFEOOVVFA-UHFFFAOYSA-N 2 0 327.429 -0.732 20 0 EBADRP C[NH+](C)CCC(=O)NCC1CC([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001100637275 820495810 /nfs/dbraw/zinc/49/58/10/820495810.db2.gz KMPCWGCFDACKGW-UHFFFAOYSA-N 2 0 339.440 -0.589 20 0 EBADRP C[NH+](C)CCC(=O)NCC1CC([NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001100637176 820496668 /nfs/dbraw/zinc/49/66/68/820496668.db2.gz FUKFSJOCSWXWHG-NRXISQOPSA-N 2 0 340.468 -0.282 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001100647488 820498864 /nfs/dbraw/zinc/49/88/64/820498864.db2.gz YBYRERJUINTAKY-ORHYLEIMSA-N 2 0 341.456 -0.487 20 0 EBADRP C[NH+]1CCC(CC(=O)NCC2CC([NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001100732185 820526704 /nfs/dbraw/zinc/52/67/04/820526704.db2.gz XFGJHYUOMNAGCJ-UHFFFAOYSA-N 2 0 339.440 -0.602 20 0 EBADRP CC1CC[NH+](CC(=O)NCC2CC([NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001100785597 820553254 /nfs/dbraw/zinc/55/32/54/820553254.db2.gz SGDRRNXLJDOUFV-UHFFFAOYSA-N 2 0 339.440 -0.602 20 0 EBADRP CN1CCC[C@H]([NH2+]C2CC(CNC(=O)COCC[NH+](C)C)C2)C1=O ZINC001100870575 820585210 /nfs/dbraw/zinc/58/52/10/820585210.db2.gz JQXUXZIPDJYQCJ-NRXISQOPSA-N 2 0 340.468 -0.330 20 0 EBADRP CN(C(=O)C[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1)C1CC1 ZINC001100870618 820585276 /nfs/dbraw/zinc/58/52/76/820585276.db2.gz KGBFWZHDJRHCGO-UHFFFAOYSA-N 2 0 340.468 -0.330 20 0 EBADRP CCCCNC(=O)C[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100871052 820585352 /nfs/dbraw/zinc/58/53/52/820585352.db2.gz ZDWDIBFVBNWGEH-UHFFFAOYSA-N 2 0 342.484 -0.035 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CC(CNC(=O)C[C@H]3CC[N@H+](C)C3)C2)nc1=O ZINC001100873141 820586459 /nfs/dbraw/zinc/58/64/59/820586459.db2.gz WCCSGJOHRPYWOS-PNESKVBLSA-N 2 0 336.440 -0.565 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1 ZINC001100898447 820593242 /nfs/dbraw/zinc/59/32/42/820593242.db2.gz GJOPXQWOXVSNSB-UHFFFAOYSA-N 2 0 348.513 -0.248 20 0 EBADRP COCCCNC(=O)C[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100986143 820633461 /nfs/dbraw/zinc/63/34/61/820633461.db2.gz OFTSFMBCIWQWSM-UHFFFAOYSA-N 2 0 340.468 -0.281 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1CC([NH2+]CCOCCO)C1 ZINC001100986619 820634353 /nfs/dbraw/zinc/63/43/53/820634353.db2.gz XCMUKJOFBRETEZ-FHERZECASA-N 2 0 343.468 -0.552 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001101036402 820661717 /nfs/dbraw/zinc/66/17/17/820661717.db2.gz PSGZXSZQWHYAMT-WXRRBKDZSA-N 2 0 339.440 -0.460 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001293581056 820791217 /nfs/dbraw/zinc/79/12/17/820791217.db2.gz IZRMDPIQHPFEON-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001102090770 821023204 /nfs/dbraw/zinc/02/32/04/821023204.db2.gz CORCWBRFLOVXAZ-JHJVBQTASA-N 2 0 339.440 -0.650 20 0 EBADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)CCn1ccnc1 ZINC001102205052 821046767 /nfs/dbraw/zinc/04/67/67/821046767.db2.gz IYVGLMPVYZMTLH-HUUCEWRRSA-N 2 0 348.451 -0.018 20 0 EBADRP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513508 821134757 /nfs/dbraw/zinc/13/47/57/821134757.db2.gz NKHXBWUVRAXJRG-RBSFLKMASA-N 2 0 342.484 -0.275 20 0 EBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001102520641 821136345 /nfs/dbraw/zinc/13/63/45/821136345.db2.gz SYHMYBFVFXLFTM-CHWSQXEVSA-N 2 0 341.456 -0.403 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103641816 821336785 /nfs/dbraw/zinc/33/67/85/821336785.db2.gz FOEHRSWNALETFD-BZUAXINKSA-N 2 0 345.484 -0.354 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001105014694 821570684 /nfs/dbraw/zinc/57/06/84/821570684.db2.gz XLLUXRSBOLPLQJ-CHWSQXEVSA-N 2 0 339.440 -0.649 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001105016906 821571772 /nfs/dbraw/zinc/57/17/72/821571772.db2.gz GGCJYZGXYAUNIF-QLFBSQMISA-N 2 0 340.468 -0.486 20 0 EBADRP CC(C)[C@H](C(=O)N1CC(n2cc(C[NH2+]C[C@@H](C)O)nn2)C1)[NH+](C)C ZINC001105320808 821690987 /nfs/dbraw/zinc/69/09/87/821690987.db2.gz KKZZDOVICKCJBQ-IUODEOHRSA-N 2 0 338.456 -0.282 20 0 EBADRP C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC001105327004 821694053 /nfs/dbraw/zinc/69/40/53/821694053.db2.gz OFOQJZCPTJYBIW-QWHCGFSZSA-N 2 0 336.440 -0.526 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)[NH+](C)C ZINC001316622430 821819538 /nfs/dbraw/zinc/81/95/38/821819538.db2.gz NVEJFKOYWNHUNE-XFMPKHEZSA-N 2 0 338.452 -0.138 20 0 EBADRP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)[C@H](C)C(=O)NC(N)=O ZINC001316897948 821909641 /nfs/dbraw/zinc/90/96/41/821909641.db2.gz ANNWSOWNAVSLBL-VXGBXAGGSA-N 2 0 327.429 -0.508 20 0 EBADRP C[N@H+](CC(=O)NC[C@@H]([NH2+][C@H]1CCC(=O)NC1=O)C1CC1)C1CCC1 ZINC001317016291 821973885 /nfs/dbraw/zinc/97/38/85/821973885.db2.gz LIZZSRPXWIXMSM-UONOGXRCSA-N 2 0 336.436 -0.240 20 0 EBADRP O=C(CCc1c[nH]cn1)N[C@H]1C[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001317082111 821998125 /nfs/dbraw/zinc/99/81/25/821998125.db2.gz KCMBVKYCDUDBQV-JOCQHMNTSA-N 2 0 348.407 -0.479 20 0 EBADRP COCCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317105194 822003739 /nfs/dbraw/zinc/00/37/39/822003739.db2.gz NBWIJQHXTHECTE-HZSPNIEDSA-N 2 0 326.441 -0.530 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001105945131 822015407 /nfs/dbraw/zinc/01/54/07/822015407.db2.gz LWNLWCLOXVJUSG-MCIONIFRSA-N 2 0 331.482 -0.191 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001317157774 822023827 /nfs/dbraw/zinc/02/38/27/822023827.db2.gz MDBZKBPZRCKBCB-AWEZNQCLSA-N 2 0 325.457 -0.209 20 0 EBADRP CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)[NH+](C)C ZINC001317212953 822039240 /nfs/dbraw/zinc/03/92/40/822039240.db2.gz HHYXWEKKTCDGLK-SZWZKDINSA-N 2 0 336.436 -0.576 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2CCC([NH2+]CCNS(C)(=O)=O)CC2)C1 ZINC001317222144 822041401 /nfs/dbraw/zinc/04/14/01/822041401.db2.gz XBAZOXOKNVWPRS-IYXRBSQSSA-N 2 0 346.497 -0.496 20 0 EBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCCN1C(=O)CNC1=O ZINC001317291962 822068797 /nfs/dbraw/zinc/06/87/97/822068797.db2.gz XQQYJMWFHHYAFY-LBPRGKRZSA-N 2 0 325.413 -0.882 20 0 EBADRP C[C@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCN1C(=O)CNC1=O ZINC001317405720 822101934 /nfs/dbraw/zinc/10/19/34/822101934.db2.gz JPZBUKNPCVCNGI-QWHCGFSZSA-N 2 0 339.440 -0.636 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[N@H+](C)CCN1C(=O)CCC1=O)[NH+](C)C ZINC001317453347 822114004 /nfs/dbraw/zinc/11/40/04/822114004.db2.gz PFAZZHIIRNEUFB-HNNXBMFYSA-N 2 0 326.441 -0.230 20 0 EBADRP CN(CC[NH2+]CCCN1C(=O)CNC1=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317600391 822171642 /nfs/dbraw/zinc/17/16/42/822171642.db2.gz IFLFLDBAKYDUKC-ZDUSSCGKSA-N 2 0 339.440 -0.539 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001106839390 822339992 /nfs/dbraw/zinc/33/99/92/822339992.db2.gz FOBJMXJASRYDBR-FRRDWIJNSA-N 2 0 341.456 -0.404 20 0 EBADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106878665 822346962 /nfs/dbraw/zinc/34/69/62/822346962.db2.gz WHAQJXLFNAWGHL-ZIAGYGMSSA-N 2 0 328.457 -0.615 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106880278 822347376 /nfs/dbraw/zinc/34/73/76/822347376.db2.gz GVXVEOHGWPSRSD-HUUCEWRRSA-N 2 0 338.456 -0.460 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC)[C@H](C)C1 ZINC001106910776 822352747 /nfs/dbraw/zinc/35/27/47/822352747.db2.gz OEWBVGJHTRBFKY-CHWSQXEVSA-N 2 0 341.456 -0.532 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001128533199 828470920 /nfs/dbraw/zinc/47/09/20/828470920.db2.gz IZBCCDQGLLGCMO-CYBMUJFWSA-N 2 0 332.420 -0.769 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]C[C@H](O)COCCOC ZINC001128533917 828471252 /nfs/dbraw/zinc/47/12/52/828471252.db2.gz TVJFMHWJFWJIBQ-KBPBESRZSA-N 2 0 337.436 -0.604 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)c1sccc1C[NH+](C)C)C(=O)NC(N)=O ZINC001128544720 828472851 /nfs/dbraw/zinc/47/28/51/828472851.db2.gz PSLXVDSAQBIXNA-SECBINFHSA-N 2 0 341.437 -0.288 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C1 ZINC001107042446 823721276 /nfs/dbraw/zinc/72/12/76/823721276.db2.gz MWPTYMMSVRDSBR-ZIAGYGMSSA-N 2 0 348.513 -0.440 20 0 EBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001129329730 828598006 /nfs/dbraw/zinc/59/80/06/828598006.db2.gz ZTRZGDPLEDLBRY-AWEZNQCLSA-N 2 0 325.457 -0.305 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129329654 828598204 /nfs/dbraw/zinc/59/82/04/828598204.db2.gz ZDAFTTXSXHIRFM-STQMWFEESA-N 2 0 341.456 -0.486 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129363589 828604649 /nfs/dbraw/zinc/60/46/49/828604649.db2.gz KAQHDHWEMQXEQS-OCCSQVGLSA-N 2 0 326.441 -0.530 20 0 EBADRP O=C(NCC[NH2+][C@H]1CCCNC1=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364163 828606114 /nfs/dbraw/zinc/60/61/14/828606114.db2.gz QFWNCIPSMQKAMT-LSDHHAIUSA-N 2 0 338.452 -0.386 20 0 EBADRP CC[C@@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)C(N)=O ZINC001129364336 828606259 /nfs/dbraw/zinc/60/62/59/828606259.db2.gz SMNSFQHFFSFSKT-ZIAGYGMSSA-N 2 0 326.441 -0.401 20 0 EBADRP CCCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385646 828609553 /nfs/dbraw/zinc/60/95/53/828609553.db2.gz QCXQLAVYDKADIJ-CABCVRRESA-N 2 0 338.456 -0.002 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001129415755 828615413 /nfs/dbraw/zinc/61/54/13/828615413.db2.gz BUJRONYQAJRUAM-LBPRGKRZSA-N 2 0 327.429 -0.589 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001129423084 828615486 /nfs/dbraw/zinc/61/54/86/828615486.db2.gz PNMOJYVFDNLDIO-CQSZACIVSA-N 2 0 348.513 -0.154 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1)C1CC1 ZINC001129442432 828620117 /nfs/dbraw/zinc/62/01/17/828620117.db2.gz ACRNTQLMWNTDOR-SWLSCSKDSA-N 2 0 326.441 -0.815 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 ZINC001129444849 828621423 /nfs/dbraw/zinc/62/14/23/828621423.db2.gz ZBHFSYMACYYTCF-TZMCWYRMSA-N 2 0 346.497 -0.686 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C[N@H+](C)C1CCC1)C(=O)NC[C@H]1CCCO1 ZINC001129535356 828632135 /nfs/dbraw/zinc/63/21/35/828632135.db2.gz OGNWBDWICSHOOP-DZGCQCFKSA-N 2 0 340.468 -0.140 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1ncc[nH]1)C2 ZINC001108671860 824419220 /nfs/dbraw/zinc/41/92/20/824419220.db2.gz XXKHKSLPPQGCEA-SRVKXCTJSA-N 2 0 348.407 -0.494 20 0 EBADRP CNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)COCC[NH+](C)C)C2 ZINC001108800554 824439118 /nfs/dbraw/zinc/43/91/18/824439118.db2.gz GQXZEVVBIVOUMD-IHRRRGAJSA-N 2 0 326.441 -0.720 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129846491 828680395 /nfs/dbraw/zinc/68/03/95/828680395.db2.gz QRFVIQCDUBAPJD-VXGBXAGGSA-N 2 0 327.429 -0.589 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001129878704 828686101 /nfs/dbraw/zinc/68/61/01/828686101.db2.gz ANMZYCAXOBJZNP-MCIONIFRSA-N 2 0 342.419 -0.708 20 0 EBADRP COCC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894516 828689931 /nfs/dbraw/zinc/68/99/31/828689931.db2.gz IKKOETZMDHTMEE-KGLIPLIRSA-N 2 0 336.440 -0.250 20 0 EBADRP COCCOC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110981081 824826551 /nfs/dbraw/zinc/82/65/51/824826551.db2.gz IPAAZLSSQZEWQO-QXSJWSMHSA-N 2 0 343.468 -0.317 20 0 EBADRP CC[C@H](C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1)OC ZINC001129992317 828710153 /nfs/dbraw/zinc/71/01/53/828710153.db2.gz YLIDZPYKJKRQHY-KFWWJZLASA-N 2 0 338.456 -0.004 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)C1 ZINC001130006179 828713926 /nfs/dbraw/zinc/71/39/26/828713926.db2.gz WWIWKBISTJAZFY-ZNMIVQPWSA-N 2 0 336.440 -0.656 20 0 EBADRP CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137316 828739037 /nfs/dbraw/zinc/73/90/37/828739037.db2.gz SPAXBKLWVZBSQW-CABCVRRESA-N 2 0 338.456 -0.004 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130187602 828751044 /nfs/dbraw/zinc/75/10/44/828751044.db2.gz ZITCIACFTPVQJE-HUUCEWRRSA-N 2 0 340.468 -0.138 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130188985 828751718 /nfs/dbraw/zinc/75/17/18/828751718.db2.gz LFHKIYMTKKBTQC-QWHCGFSZSA-N 2 0 332.470 -0.742 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001130231644 828761616 /nfs/dbraw/zinc/76/16/16/828761616.db2.gz ABKALRWIMCKKMJ-UHFFFAOYSA-N 2 0 340.468 -0.423 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2 ZINC001111938188 825349401 /nfs/dbraw/zinc/34/94/01/825349401.db2.gz OYLFWGQJMHVULF-VBQJREDUSA-N 2 0 338.452 -0.576 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001130299706 828776792 /nfs/dbraw/zinc/77/67/92/828776792.db2.gz AVCKDNQGZBYUCK-KBPBESRZSA-N 2 0 346.497 -0.542 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130297317 828776816 /nfs/dbraw/zinc/77/68/16/828776816.db2.gz KRDXUAPFTZUFJB-LBPRGKRZSA-N 2 0 327.429 -0.588 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001130296696 828777056 /nfs/dbraw/zinc/77/70/56/828777056.db2.gz BARJXDOQBXJKDX-ZDUSSCGKSA-N 2 0 332.470 -0.788 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC001130303887 828778402 /nfs/dbraw/zinc/77/84/02/828778402.db2.gz NHAFLFCTFPRHDL-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001130305871 828778492 /nfs/dbraw/zinc/77/84/92/828778492.db2.gz NGVJSGHMVFBBHN-LBPRGKRZSA-N 2 0 339.440 -0.493 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001112522855 825453775 /nfs/dbraw/zinc/45/37/75/825453775.db2.gz RAAFEOWKUKRRKO-LRDDRELGSA-N 2 0 339.440 -0.649 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001130419256 828828598 /nfs/dbraw/zinc/82/85/98/828828598.db2.gz RLGOJBXCZIIUKE-CYBMUJFWSA-N 2 0 328.457 -0.282 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001130422142 828828832 /nfs/dbraw/zinc/82/88/32/828828832.db2.gz XYPXXGIACRLLQI-UHFFFAOYSA-N 2 0 327.429 -0.589 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001130425151 828830524 /nfs/dbraw/zinc/83/05/24/828830524.db2.gz LQXOQISUHNVVFL-CYBMUJFWSA-N 2 0 348.513 -0.296 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001130425034 828830664 /nfs/dbraw/zinc/83/06/64/828830664.db2.gz KMDJRBYDBKDCSI-UHFFFAOYSA-N 2 0 334.486 -0.542 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCC[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001211089890 837385401 /nfs/dbraw/zinc/38/54/01/837385401.db2.gz BTAAOVKAXNKJOO-HOTGVXAUSA-N 2 0 335.452 -0.080 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)[C@@H]1C ZINC001179763347 833009393 /nfs/dbraw/zinc/00/93/93/833009393.db2.gz IGYUEHHPHBGGJZ-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(=O)NCCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC001114041984 826121181 /nfs/dbraw/zinc/12/11/81/826121181.db2.gz VBEGTCYNKGWSJG-QXSJWSMHSA-N 2 0 338.452 -0.720 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H]1C ZINC001179857163 833019351 /nfs/dbraw/zinc/01/93/51/833019351.db2.gz WCACCQPGBJEEOV-STQMWFEESA-N 2 0 341.456 -0.247 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCN(C)S(C)(=O)=O)[C@@H]1C ZINC001179860992 833019452 /nfs/dbraw/zinc/01/94/52/833019452.db2.gz GLFHHTRYXSIHKD-KBPBESRZSA-N 2 0 348.513 -0.201 20 0 EBADRP C[NH+](C)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)CCC1 ZINC001114405241 826235779 /nfs/dbraw/zinc/23/57/79/826235779.db2.gz PLCSBENSGXWXQM-CZXHOFHRSA-N 2 0 334.420 -0.678 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C)C(=O)NC1CC1 ZINC001179935778 833027672 /nfs/dbraw/zinc/02/76/72/833027672.db2.gz IFCRHUQZAZNQKX-IPYPFGDCSA-N 2 0 340.468 -0.189 20 0 EBADRP C[C@H]1[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001179934171 833027988 /nfs/dbraw/zinc/02/79/88/833027988.db2.gz UVBMIMQUVSNKCW-XHSDSOJGSA-N 2 0 347.463 -0.081 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCNS(=O)(=O)CC)[C@@H]1C ZINC001179983281 833031875 /nfs/dbraw/zinc/03/18/75/833031875.db2.gz TXHKMIODQKHWET-KBPBESRZSA-N 2 0 348.513 -0.154 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NCC)[C@@H]1C ZINC001179987474 833032041 /nfs/dbraw/zinc/03/20/41/833032041.db2.gz YNDCGNOEZCKPCZ-STQMWFEESA-N 2 0 341.456 -0.247 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001179988983 833032117 /nfs/dbraw/zinc/03/21/17/833032117.db2.gz RYPSYEKUWXPPAA-UHFFFAOYSA-N 2 0 329.445 -0.211 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]C[C@@H](O)COCCOC)[C@@H]1C ZINC001179987327 833032207 /nfs/dbraw/zinc/03/22/07/833032207.db2.gz PXARJZPOGUFZJL-XHSDSOJGSA-N 2 0 345.484 -0.069 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001114606458 826296142 /nfs/dbraw/zinc/29/61/42/826296142.db2.gz FTVQQBBNZRQDDY-LTIDMASMSA-N 2 0 337.464 -0.084 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)COCC[NH+](C)C ZINC001180060845 833038930 /nfs/dbraw/zinc/03/89/30/833038930.db2.gz QXXHFCXTPFEPBD-AWEZNQCLSA-N 2 0 330.473 -0.035 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124998 833045680 /nfs/dbraw/zinc/04/56/80/833045680.db2.gz YMZZAHKEUFTLGW-KKUMJFAQSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@H]1[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)CCN1C(=O)C[NH+]1CCCC1 ZINC001180132254 833045809 /nfs/dbraw/zinc/04/58/09/833045809.db2.gz ZUMYMNIZFRJRJC-XHSDSOJGSA-N 2 0 335.452 -0.081 20 0 EBADRP Cc1nn(C)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115118790 826426268 /nfs/dbraw/zinc/42/62/68/826426268.db2.gz MCBMWNQCEBEQFZ-QLPKVWCKSA-N 2 0 335.452 -0.147 20 0 EBADRP Cn1nccc1CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126465 826428288 /nfs/dbraw/zinc/42/82/88/826428288.db2.gz OABUHDQOKONVOV-QLPKVWCKSA-N 2 0 335.452 -0.413 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2CN(Cc3cn(C)nn3)C[C@H]21 ZINC001115245224 826469982 /nfs/dbraw/zinc/46/99/82/826469982.db2.gz NVKOHHIWYMPPTQ-ARLBYUKCSA-N 2 0 348.451 -0.670 20 0 EBADRP COCCOC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115303284 826503372 /nfs/dbraw/zinc/50/33/72/826503372.db2.gz AIKOTIXDRRLEHJ-LJIGWXMPSA-N 2 0 343.468 -0.603 20 0 EBADRP CC(=O)NCCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C(C)C ZINC001115304023 826504242 /nfs/dbraw/zinc/50/42/42/826504242.db2.gz NBZNBMRHUSFTJQ-QLPKVWCKSA-N 2 0 340.468 -0.474 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCCCCC[NH2+]CC(N)=O ZINC001180278507 833069217 /nfs/dbraw/zinc/06/92/17/833069217.db2.gz IMCSLKWFQSWAHZ-AWEZNQCLSA-N 2 0 328.457 -0.294 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](CO)C2)C[C@H]1C[NH+](C)C ZINC001118940672 827031845 /nfs/dbraw/zinc/03/18/45/827031845.db2.gz SBNREMOSGOVPCV-RRFJBIMHSA-N 2 0 340.468 -0.975 20 0 EBADRP CN1CC(=O)N(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1=O ZINC001119044211 827053011 /nfs/dbraw/zinc/05/30/11/827053011.db2.gz BUNVRTLTULFZJW-CHWSQXEVSA-N 2 0 339.440 -0.922 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)C[C@@H]21 ZINC001119065952 827054360 /nfs/dbraw/zinc/05/43/60/827054360.db2.gz FHCDKWPXHXPPDW-WYUUTHIRSA-N 2 0 348.369 -0.256 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001119350594 827100250 /nfs/dbraw/zinc/10/02/50/827100250.db2.gz DTXJHHSSFCFCCT-QWHCGFSZSA-N 2 0 326.441 -0.543 20 0 EBADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001119356100 827101134 /nfs/dbraw/zinc/10/11/34/827101134.db2.gz BUSPWHUCLKLMRF-GHMZBOCLSA-N 2 0 330.379 -0.300 20 0 EBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001119365651 827102669 /nfs/dbraw/zinc/10/26/69/827102669.db2.gz UNVCMKNRIHIIOD-KGLIPLIRSA-N 2 0 339.484 -0.533 20 0 EBADRP COCCOC[C@@H](O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001119618191 827126580 /nfs/dbraw/zinc/12/65/80/827126580.db2.gz BGFVJWCBORWCBF-ZNMIVQPWSA-N 2 0 343.424 -0.733 20 0 EBADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2CCOC)CC1 ZINC001120417226 827215036 /nfs/dbraw/zinc/21/50/36/827215036.db2.gz AWYHSEQOOYAXIA-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC001120453852 827226226 /nfs/dbraw/zinc/22/62/26/827226226.db2.gz JWMBFWGWAUQLIN-JOCQHMNTSA-N 2 0 326.441 -0.591 20 0 EBADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CCNCC[NH2+]CC1 ZINC001120549393 827245063 /nfs/dbraw/zinc/24/50/63/827245063.db2.gz MRSYDWVKNUWMER-HNNXBMFYSA-N 2 0 325.457 -0.556 20 0 EBADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001121952741 827490440 /nfs/dbraw/zinc/49/04/40/827490440.db2.gz LWQOESIEAMJGKG-CJNGLKHVSA-N 2 0 327.425 -0.509 20 0 EBADRP C[C@H]([NH2+]C1CC2(CC(NC(=O)COCC[NH+](C)C)C2)C1)C(N)=O ZINC001122064026 827513664 /nfs/dbraw/zinc/51/36/64/827513664.db2.gz UJCNHZADCZCZAR-KWDKGFIESA-N 2 0 326.441 -0.545 20 0 EBADRP COC[C@@H](O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001122178140 827537827 /nfs/dbraw/zinc/53/78/27/827537827.db2.gz WRJSQETZLGLECL-PHUJGXCVSA-N 2 0 325.453 -0.038 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182676550 833252830 /nfs/dbraw/zinc/25/28/30/833252830.db2.gz MMTXLWFGGWLFLS-RBSFLKMASA-N 2 0 340.468 -0.330 20 0 EBADRP CC(C)(C)OC(=O)N[C@H](CO)CC(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001182696159 833253358 /nfs/dbraw/zinc/25/33/58/833253358.db2.gz QIRLIBOVRJZIMU-JTQLQIEISA-N 2 0 331.417 -0.277 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001124877275 827972094 /nfs/dbraw/zinc/97/20/94/827972094.db2.gz FAZNEGDNEAEULN-OLZOCXBDSA-N 2 0 332.470 -0.932 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F ZINC001124879303 827973244 /nfs/dbraw/zinc/97/32/44/827973244.db2.gz RHHLOPASKSSIEH-WDEREUQCSA-N 2 0 327.347 -0.274 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC001124879400 827973720 /nfs/dbraw/zinc/97/37/20/827973720.db2.gz SWDSBCHAHKAIOL-GHMZBOCLSA-N 2 0 336.358 -0.050 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001183229157 833284172 /nfs/dbraw/zinc/28/41/72/833284172.db2.gz DJRGCTMNXDRNJR-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001183229147 833284196 /nfs/dbraw/zinc/28/41/96/833284196.db2.gz CRWSTPNHQCMUIT-UKRRQHHQSA-N 2 0 338.452 -0.434 20 0 EBADRP COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001183288193 833285504 /nfs/dbraw/zinc/28/55/04/833285504.db2.gz BPRXRGBHNYSUBJ-GDBMZVCRSA-N 2 0 343.468 -0.315 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001183418783 833289974 /nfs/dbraw/zinc/28/99/74/833289974.db2.gz WGPBNBFKFVOFTK-CKEIUWERSA-N 2 0 340.468 -0.486 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1cnccn1 ZINC001127066385 828246566 /nfs/dbraw/zinc/24/65/66/828246566.db2.gz NAIKTJPOOYTQOF-CYBMUJFWSA-N 2 0 334.424 -0.006 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001127066743 828247421 /nfs/dbraw/zinc/24/74/21/828247421.db2.gz RSXHURWPWYSUGH-LSDHHAIUSA-N 2 0 340.468 -0.140 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127254579 828268375 /nfs/dbraw/zinc/26/83/75/828268375.db2.gz GBJBIQSRJGXIDH-OLZOCXBDSA-N 2 0 332.470 -0.884 20 0 EBADRP CN(CC[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1)S(C)(=O)=O ZINC001127257463 828269562 /nfs/dbraw/zinc/26/95/62/828269562.db2.gz YLBLPEUMVZZSRK-KBPBESRZSA-N 2 0 346.497 -0.542 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)NC1CCOCC1 ZINC001127474704 828296745 /nfs/dbraw/zinc/29/67/45/828296745.db2.gz NYYOHXPTPWUYHC-OAHLLOKOSA-N 2 0 338.452 -0.671 20 0 EBADRP O=C(NCC[NH2+]CCN1CCCS1(=O)=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127481896 828298035 /nfs/dbraw/zinc/29/80/35/828298035.db2.gz YMZAEMXEPUFSLY-AWEZNQCLSA-N 2 0 344.481 -0.931 20 0 EBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC[NH2+]CCOCCO)CC1 ZINC001127570952 828303290 /nfs/dbraw/zinc/30/32/90/828303290.db2.gz HFTVZRQKEAUZGX-CVEARBPZSA-N 2 0 343.468 -0.552 20 0 EBADRP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C(N)=O ZINC001127570939 828304080 /nfs/dbraw/zinc/30/40/80/828304080.db2.gz GQYBSCKCHSFLEY-KFWWJZLASA-N 2 0 340.468 -0.297 20 0 EBADRP Cn1ccc(C[NH2+]CCNC(=O)c2ccn(CC[NH+](C)C)n2)cc1=O ZINC001127576639 828304801 /nfs/dbraw/zinc/30/48/01/828304801.db2.gz UVQNDQDCGBHCES-UHFFFAOYSA-N 2 0 346.435 -0.337 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccon1 ZINC001127760874 828321054 /nfs/dbraw/zinc/32/10/54/828321054.db2.gz TYZBJPQOZTZMTM-NWDGAFQWSA-N 2 0 337.380 -0.818 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccon1 ZINC001127760876 828321109 /nfs/dbraw/zinc/32/11/09/828321109.db2.gz TYZBJPQOZTZMTM-VXGBXAGGSA-N 2 0 337.380 -0.818 20 0 EBADRP O=C(NCC[NH2+]CCCN1CCCC1=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127766349 828321549 /nfs/dbraw/zinc/32/15/49/828321549.db2.gz VFKRDSWHSYVRQY-HUUCEWRRSA-N 2 0 338.452 -0.432 20 0 EBADRP NC(=O)c1ccc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC001127779875 828327715 /nfs/dbraw/zinc/32/77/15/828327715.db2.gz RYOIDVOJLXLVON-HOTGVXAUSA-N 2 0 346.431 -0.146 20 0 EBADRP CCn1nnc(C)c1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127780124 828330892 /nfs/dbraw/zinc/33/08/92/828330892.db2.gz VZXXCMQUIZRAGC-HIFRSBDPSA-N 2 0 336.440 -0.325 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001184292619 833326129 /nfs/dbraw/zinc/32/61/29/833326129.db2.gz RUFQIIZBCJWLTQ-GFCCVEGCSA-N 2 0 344.375 -0.406 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130669894 828910439 /nfs/dbraw/zinc/91/04/39/828910439.db2.gz MAYHUOQDKDHKLF-GXTWGEPZSA-N 2 0 336.440 -0.998 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001130713747 828921046 /nfs/dbraw/zinc/92/10/46/828921046.db2.gz ZWZKAIYYBFCRHB-HZPDHXFCSA-N 2 0 345.484 -0.164 20 0 EBADRP COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001184857945 833341612 /nfs/dbraw/zinc/34/16/12/833341612.db2.gz BYOKKKLZEHEGHW-RBSFLKMASA-N 2 0 329.441 -0.705 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001185083688 833346269 /nfs/dbraw/zinc/34/62/69/833346269.db2.gz HTFBXMJWIGGIQZ-OLZOCXBDSA-N 2 0 341.456 -0.532 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001185083578 833346326 /nfs/dbraw/zinc/34/63/26/833346326.db2.gz GYIGQLVWAVKREK-KGLIPLIRSA-N 2 0 348.513 -0.439 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3cnccn3)C2)CC1 ZINC001185230398 833350426 /nfs/dbraw/zinc/35/04/26/833350426.db2.gz PVXZSKATQLBOHG-CYBMUJFWSA-N 2 0 346.435 -0.053 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001185264135 833353169 /nfs/dbraw/zinc/35/31/69/833353169.db2.gz ARDYFWQGIUKJCB-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001185350126 833356815 /nfs/dbraw/zinc/35/68/15/833356815.db2.gz ZMZBRIBNWLNZNI-QWHCGFSZSA-N 2 0 341.456 -0.403 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001185350123 833356850 /nfs/dbraw/zinc/35/68/50/833356850.db2.gz ZMZBRIBNWLNZNI-CHWSQXEVSA-N 2 0 341.456 -0.403 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(=O)NC(N)=O ZINC001185385186 833357170 /nfs/dbraw/zinc/35/71/70/833357170.db2.gz LIFMKRQBSWACSR-CMPLNLGQSA-N 2 0 325.413 -0.898 20 0 EBADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185445994 833358758 /nfs/dbraw/zinc/35/87/58/833358758.db2.gz HYNCCEDOJWCGKY-OWCLPIDISA-N 2 0 345.484 -0.213 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185446381 833358925 /nfs/dbraw/zinc/35/89/25/833358925.db2.gz KOEINUGNNMQADT-TZMCWYRMSA-N 2 0 341.456 -0.391 20 0 EBADRP O=C(C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1)NC[C@@H]1CCOC1 ZINC001131374472 829118951 /nfs/dbraw/zinc/11/89/51/829118951.db2.gz BMGJHLQGGNKZHH-ZDUSSCGKSA-N 2 0 345.403 -0.194 20 0 EBADRP CN(C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CC1 ZINC001131519636 829150274 /nfs/dbraw/zinc/15/02/74/829150274.db2.gz IDZYPMOCSIEYLH-TVIZTDCDSA-N 2 0 336.436 -0.824 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519647 829150308 /nfs/dbraw/zinc/15/03/08/829150308.db2.gz ILEDYQHGTQDQDD-UUCFBXCCSA-N 2 0 338.452 -0.578 20 0 EBADRP Cn1cc(CC[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)cn1 ZINC001131519606 829150390 /nfs/dbraw/zinc/15/03/90/829150390.db2.gz HLEKKAXPJFYSRE-CKDBGZEDSA-N 2 0 333.436 -0.468 20 0 EBADRP C[C@H](COCC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1)[NH+]1CCCC1 ZINC001185742858 833368964 /nfs/dbraw/zinc/36/89/64/833368964.db2.gz PDNBAKLRQUVFHE-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001185750697 833369485 /nfs/dbraw/zinc/36/94/85/833369485.db2.gz MBWYSKHWRGIEIK-CHWSQXEVSA-N 2 0 341.456 -0.404 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CC(=O)NC(N)=O)CCCCC1 ZINC001131799306 829223314 /nfs/dbraw/zinc/22/33/14/829223314.db2.gz MMKNXNYNDQXQHI-UHFFFAOYSA-N 2 0 327.429 -0.601 20 0 EBADRP C[NH+](C)CCc1ccccc1C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001131799112 829223551 /nfs/dbraw/zinc/22/35/51/829223551.db2.gz IHXGYUOAYZYCML-HNNXBMFYSA-N 2 0 346.431 -0.085 20 0 EBADRP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCO[C@H](C[NH+]3CCCC3)C2)C1 ZINC001186106940 833389272 /nfs/dbraw/zinc/38/92/72/833389272.db2.gz KESFLHFURDPNBY-LSDHHAIUSA-N 2 0 339.436 -0.196 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186310334 833395972 /nfs/dbraw/zinc/39/59/72/833395972.db2.gz LYKWZGKLUVTFEZ-LSDHHAIUSA-N 2 0 325.453 -0.082 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001186486516 833403246 /nfs/dbraw/zinc/40/32/46/833403246.db2.gz ARPOKWXEXUXWKX-UONOGXRCSA-N 2 0 331.482 -0.047 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001186458559 833402538 /nfs/dbraw/zinc/40/25/38/833402538.db2.gz PGFRSRMOMMEVCL-CYBMUJFWSA-N 2 0 341.456 -0.246 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]CCNS(=O)(=O)CC)C1 ZINC001186496459 833403500 /nfs/dbraw/zinc/40/35/00/833403500.db2.gz IBBKIHWTYANTAJ-CYBMUJFWSA-N 2 0 334.486 -0.542 20 0 EBADRP C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CCN1C(=O)CNC1=O ZINC001132279593 829406142 /nfs/dbraw/zinc/40/61/42/829406142.db2.gz ZQJGYUQAGIYYKE-QWHCGFSZSA-N 2 0 339.440 -0.541 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132287029 829406852 /nfs/dbraw/zinc/40/68/52/829406852.db2.gz RZYDUWQDLSBBBX-UHFFFAOYSA-N 2 0 348.513 -0.152 20 0 EBADRP C[NH+](C)CCOCC(=O)N1C[C@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186546169 833405404 /nfs/dbraw/zinc/40/54/04/833405404.db2.gz RWCUJOIBVXEYOY-HNNXBMFYSA-N 2 0 343.468 -0.598 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1)C(=O)NC(N)=O ZINC001186568878 833406517 /nfs/dbraw/zinc/40/65/17/833406517.db2.gz MGWMMWWBSCAEGF-QWHCGFSZSA-N 2 0 339.440 -0.508 20 0 EBADRP C[C@@H]1CC[C@@H](NC(=O)COCC[NH+](C)C)C[N@@H+]1CCn1cncn1 ZINC001132426286 829454389 /nfs/dbraw/zinc/45/43/89/829454389.db2.gz VEJUXJFUDKDXOC-HUUCEWRRSA-N 2 0 338.456 -0.175 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC)C1 ZINC001132737998 829511388 /nfs/dbraw/zinc/51/13/88/829511388.db2.gz SSDTTZHODFFVMI-LBPRGKRZSA-N 2 0 327.429 -0.730 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NCC)C1 ZINC001132738287 829511514 /nfs/dbraw/zinc/51/15/14/829511514.db2.gz YLNSISHPAYFNMK-ZDUSSCGKSA-N 2 0 341.456 -0.340 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)N(C)CC2CC2)C1 ZINC001132848258 829533598 /nfs/dbraw/zinc/53/35/98/829533598.db2.gz CIBQMLVBYJFISH-HNNXBMFYSA-N 2 0 340.468 -0.330 20 0 EBADRP CCCC[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C(N)=O ZINC001132848927 829535222 /nfs/dbraw/zinc/53/52/22/829535222.db2.gz WNELKSOCAIURIT-UONOGXRCSA-N 2 0 328.457 -0.155 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCN2CCCC2=O)C1 ZINC001132848401 829535549 /nfs/dbraw/zinc/53/55/49/829535549.db2.gz HKIXFBYIRIODSW-AWEZNQCLSA-N 2 0 326.441 -0.576 20 0 EBADRP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H](C)CS(C)(=O)=O)C1 ZINC001132851999 829536669 /nfs/dbraw/zinc/53/66/69/829536669.db2.gz FIMUQKYCTJCYSG-ZIAGYGMSSA-N 2 0 349.497 -0.518 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C2CC2)C1 ZINC001132852259 829537825 /nfs/dbraw/zinc/53/78/25/829537825.db2.gz KKMNITMLMAGSPK-ZFWWWQNUSA-N 2 0 340.468 -0.284 20 0 EBADRP COc1nccc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC001132859114 829538925 /nfs/dbraw/zinc/53/89/25/829538925.db2.gz WMDILEQMOBCVEU-AWEZNQCLSA-N 2 0 337.424 -0.200 20 0 EBADRP CCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132859171 829539736 /nfs/dbraw/zinc/53/97/36/829539736.db2.gz YHDSFFCWXNIJNH-CQSZACIVSA-N 2 0 328.457 -0.282 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886982 829544448 /nfs/dbraw/zinc/54/44/48/829544448.db2.gz YQGDMOMJBWFMKF-KBPBESRZSA-N 2 0 348.513 -0.248 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)CC[N@@H+]1C ZINC001132882348 829544630 /nfs/dbraw/zinc/54/46/30/829544630.db2.gz DGFHFYULQVHCCZ-KBPBESRZSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)CC[N@@H+]1C ZINC001132886042 829544868 /nfs/dbraw/zinc/54/48/68/829544868.db2.gz ASXDTEJQHLWIIU-IHRRRGAJSA-N 2 0 331.482 -0.143 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886757 829545036 /nfs/dbraw/zinc/54/50/36/829545036.db2.gz UAIYEUZGSZQDLQ-SOUVJXGZSA-N 2 0 331.457 -0.554 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001132995273 829569073 /nfs/dbraw/zinc/56/90/73/829569073.db2.gz PZRRYCIWHBLSMB-CYBMUJFWSA-N 2 0 326.441 -0.719 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)CC1 ZINC001132993281 829569302 /nfs/dbraw/zinc/56/93/02/829569302.db2.gz RLIJDMGOLFKBPU-UHFFFAOYSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CC1)C(=O)NC(=O)NC1CC1 ZINC001132997604 829569501 /nfs/dbraw/zinc/56/95/01/829569501.db2.gz JAQJJRUICRHPTF-NSHDSACASA-N 2 0 339.440 -0.589 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CC1)C(=O)NC(=O)NC1CC1 ZINC001132997603 829569686 /nfs/dbraw/zinc/56/96/86/829569686.db2.gz JAQJJRUICRHPTF-LLVKDONJSA-N 2 0 339.440 -0.589 20 0 EBADRP C[C@H]1CCN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CCOCCO ZINC001133240799 829610699 /nfs/dbraw/zinc/61/06/99/829610699.db2.gz ADQSUZFNOUAENO-JKSUJKDBSA-N 2 0 345.484 -0.352 20 0 EBADRP C[NH+]1CCC(C(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001133287883 829615694 /nfs/dbraw/zinc/61/56/94/829615694.db2.gz OIHHRMXEZKXHLO-ZDUSSCGKSA-N 2 0 346.497 -0.685 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)NC(=O)NCc1ccco1 ZINC001133291153 829616157 /nfs/dbraw/zinc/61/61/57/829616157.db2.gz KNIZEBSMSAJHSK-UHFFFAOYSA-N 2 0 339.396 -0.737 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1)[NH+](CC)CC ZINC001133689693 829661856 /nfs/dbraw/zinc/66/18/56/829661856.db2.gz BGXDQJLRRXWAKM-LSDHHAIUSA-N 2 0 342.484 -0.035 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC001133823277 829679947 /nfs/dbraw/zinc/67/99/47/829679947.db2.gz AKVVRFMXELYJPD-UKRRQHHQSA-N 2 0 348.451 -0.285 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133846241 829684930 /nfs/dbraw/zinc/68/49/30/829684930.db2.gz WYJUUDBTLJYNBE-ZDUSSCGKSA-N 2 0 334.486 -0.637 20 0 EBADRP COCCS(=O)(=O)CCC[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133846212 829685638 /nfs/dbraw/zinc/68/56/38/829685638.db2.gz WFXDOCZJPFXPNM-AWEZNQCLSA-N 2 0 349.497 -0.515 20 0 EBADRP COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133862047 829688191 /nfs/dbraw/zinc/68/81/91/829688191.db2.gz AJCSOUADMZXACE-UONOGXRCSA-N 2 0 349.497 -0.659 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001133853915 829688382 /nfs/dbraw/zinc/68/83/82/829688382.db2.gz UDQQEQBYBANPDT-ZDUSSCGKSA-N 2 0 326.441 -0.671 20 0 EBADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001133856857 829688450 /nfs/dbraw/zinc/68/84/50/829688450.db2.gz SUDNYFNTEFWLNX-INIZCTEOSA-N 2 0 343.447 -0.070 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1nccs1 ZINC001133866076 829689680 /nfs/dbraw/zinc/68/96/80/829689680.db2.gz HGSIXSAMVQZKMO-QWRGUYRKSA-N 2 0 325.438 -0.015 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)s1 ZINC001133870662 829690575 /nfs/dbraw/zinc/69/05/75/829690575.db2.gz VGKKJEIRHSMJRH-GXSJLCMTSA-N 2 0 340.453 -0.311 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C[N@H+](C)CCc1ccccc1)C(=O)NC(N)=O ZINC001133899531 829695617 /nfs/dbraw/zinc/69/56/17/829695617.db2.gz KPFFHUKMDDUJLL-ZDUSSCGKSA-N 2 0 349.435 -0.550 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133899609 829696014 /nfs/dbraw/zinc/69/60/14/829696014.db2.gz OLELXFFHKLKAQD-UHFFFAOYSA-N 2 0 329.445 -0.484 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NCC(C)C)[NH+](C)C ZINC001133966219 829708093 /nfs/dbraw/zinc/70/80/93/829708093.db2.gz YEXZHZILAVELBS-LBPRGKRZSA-N 2 0 329.445 -0.486 20 0 EBADRP C[C@H](COCC(=O)NCC[NH2+][C@@H]1CCCNC1=O)[NH+]1CCCC1 ZINC001134021012 829713560 /nfs/dbraw/zinc/71/35/60/829713560.db2.gz NVWBNFFQUAVVFK-ZIAGYGMSSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@H](COCC(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1)[NH+]1CCCC1 ZINC001134021105 829713670 /nfs/dbraw/zinc/71/36/70/829713670.db2.gz RHQHKHRLNDHNRP-KGLIPLIRSA-N 2 0 340.468 -0.140 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001134582911 829796616 /nfs/dbraw/zinc/79/66/16/829796616.db2.gz BIJJQZFJTATMNK-STQMWFEESA-N 2 0 348.513 -0.107 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C[N@H+](C)C1CCC1 ZINC001134607806 829801567 /nfs/dbraw/zinc/80/15/67/829801567.db2.gz LZSMMZFHXJMYQJ-VXGBXAGGSA-N 2 0 338.456 -0.034 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C[N@H+](C)C1CCC1 ZINC001134607804 829801743 /nfs/dbraw/zinc/80/17/43/829801743.db2.gz LZSMMZFHXJMYQJ-NWDGAFQWSA-N 2 0 338.456 -0.034 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001134607803 829801927 /nfs/dbraw/zinc/80/19/27/829801927.db2.gz LZSMMZFHXJMYQJ-NEPJUHHUSA-N 2 0 338.456 -0.034 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001134756999 829840582 /nfs/dbraw/zinc/84/05/82/829840582.db2.gz MFMFFXWKUAMRPG-GFCCVEGCSA-N 2 0 327.429 -0.588 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001134767054 829841012 /nfs/dbraw/zinc/84/10/12/829841012.db2.gz QUZAACDGGDKDKP-CYBMUJFWSA-N 2 0 339.440 -0.493 20 0 EBADRP C[NH+]1CCC(CC(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001134780860 829845129 /nfs/dbraw/zinc/84/51/29/829845129.db2.gz ZLZSGBMGBBSGOZ-CQSZACIVSA-N 2 0 331.482 -0.141 20 0 EBADRP C[NH+]1CCC(CC(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001134780859 829845168 /nfs/dbraw/zinc/84/51/68/829845168.db2.gz ZLZSGBMGBBSGOZ-AWEZNQCLSA-N 2 0 331.482 -0.141 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135103038 829898405 /nfs/dbraw/zinc/89/84/05/829898405.db2.gz SOADOFCQOCYIHF-ZIAGYGMSSA-N 2 0 346.497 -0.352 20 0 EBADRP Cn1ccc(C[NH2+]CCNC(=O)c2cnn(CC[NH+](C)C)c2)cc1=O ZINC001135114984 829900149 /nfs/dbraw/zinc/90/01/49/829900149.db2.gz RRPDTUWCQGPVCZ-UHFFFAOYSA-N 2 0 346.435 -0.337 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)cn1 ZINC001135118232 829900525 /nfs/dbraw/zinc/90/05/25/829900525.db2.gz JPSHQOUTFPHAMC-OAHLLOKOSA-N 2 0 349.439 -0.978 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CCC[NH+](C)C ZINC001135314640 829943525 /nfs/dbraw/zinc/94/35/25/829943525.db2.gz DVJHVMKQUMFKCB-NWDGAFQWSA-N 2 0 326.445 -0.177 20 0 EBADRP C[NH+](C)Cc1ccc(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)cc1 ZINC001135337110 829947353 /nfs/dbraw/zinc/94/73/53/829947353.db2.gz SJMBNFSKSQCSEA-UHFFFAOYSA-N 2 0 347.419 -0.381 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CCN(C)S(C)(=O)=O)NC(=O)CC[NH+](C)C ZINC001135371479 829955767 /nfs/dbraw/zinc/95/57/67/829955767.db2.gz GDBOAQMHLFVREI-STQMWFEESA-N 2 0 336.502 -0.298 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)C1CC[NH+](C)CC1)[NH2+]CCNS(C)(=O)=O ZINC001135378796 829956363 /nfs/dbraw/zinc/95/63/63/829956363.db2.gz MUSJYMFSKJCFJF-OLZOCXBDSA-N 2 0 348.513 -0.250 20 0 EBADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)C(C)C ZINC001135474409 829973292 /nfs/dbraw/zinc/97/32/92/829973292.db2.gz PHVQHJGUJFSSHC-VXGBXAGGSA-N 2 0 329.445 -0.358 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001135513613 829979798 /nfs/dbraw/zinc/97/97/98/829979798.db2.gz SBGDMBLWBASCIN-AWEZNQCLSA-N 2 0 331.457 -0.410 20 0 EBADRP COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135688305 830009510 /nfs/dbraw/zinc/00/95/10/830009510.db2.gz LESXCNLTKVWPOY-JKSUJKDBSA-N 2 0 345.484 -0.164 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001135861378 830035864 /nfs/dbraw/zinc/03/58/64/830035864.db2.gz PYJFBVWLPNRMRI-CHWSQXEVSA-N 2 0 336.502 -0.250 20 0 EBADRP CC(C)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135924660 830047659 /nfs/dbraw/zinc/04/76/59/830047659.db2.gz UXKQGFKRWWRXHH-ZIAGYGMSSA-N 2 0 330.473 -0.038 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]Cc1nncn1C)NC(=O)COCC[NH+](C)C ZINC001135924081 830047945 /nfs/dbraw/zinc/04/79/45/830047945.db2.gz PZTBDEVMHAPSDJ-CHWSQXEVSA-N 2 0 326.445 -0.234 20 0 EBADRP CC(C)COC[C@H](O)C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135963532 830052590 /nfs/dbraw/zinc/05/25/90/830052590.db2.gz RRWVXGIBAGROOK-OAHLLOKOSA-N 2 0 345.484 -0.164 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001211257849 837418358 /nfs/dbraw/zinc/41/83/58/837418358.db2.gz VVZOLARUDHKNLW-CHWSQXEVSA-N 2 0 339.440 -0.364 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211284530 837421635 /nfs/dbraw/zinc/42/16/35/837421635.db2.gz MHELSYPUKJANAL-CHWSQXEVSA-N 2 0 341.456 -0.249 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211284533 837421655 /nfs/dbraw/zinc/42/16/55/837421655.db2.gz MHELSYPUKJANAL-STQMWFEESA-N 2 0 341.456 -0.249 20 0 EBADRP CC(=O)N1C[C@H](O)C[C@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001143031838 830141268 /nfs/dbraw/zinc/14/12/68/830141268.db2.gz WVQIBRDJTMPDSJ-CVEARBPZSA-N 2 0 342.484 -0.300 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001146375997 830194147 /nfs/dbraw/zinc/19/41/47/830194147.db2.gz DHALRWFNMNQOSV-LLVKDONJSA-N 2 0 327.429 -0.604 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)C[NH+]1CCCC1 ZINC001146408399 830196536 /nfs/dbraw/zinc/19/65/36/830196536.db2.gz IQOKJFLHLAAIBO-QWHCGFSZSA-N 2 0 339.440 -0.493 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001146601108 830212673 /nfs/dbraw/zinc/21/26/73/830212673.db2.gz JYDKFDIZCKYYHK-QWHCGFSZSA-N 2 0 341.456 -0.249 20 0 EBADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001147359326 830327984 /nfs/dbraw/zinc/32/79/84/830327984.db2.gz OKCKGHMNTDIUEN-OLZOCXBDSA-N 2 0 341.456 -0.070 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)[C@](C)(c1ccccc1)[NH+](C)C)C(=O)NC(N)=O ZINC001147430086 830343477 /nfs/dbraw/zinc/34/34/77/830343477.db2.gz YLVYMZLOJZXFOJ-SJCJKPOMSA-N 2 0 349.435 -0.247 20 0 EBADRP CC[N@H+](C)[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC)c1ccccc1 ZINC001147461566 830348697 /nfs/dbraw/zinc/34/86/97/830348697.db2.gz ZZULQSJJYWUSAR-HNNXBMFYSA-N 2 0 349.435 -0.159 20 0 EBADRP C[C@@H]1CCCCN1C(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147842059 830418786 /nfs/dbraw/zinc/41/87/86/830418786.db2.gz KZKRHYIOWKYIBJ-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CCCNC(=O)C(F)(F)F ZINC001147847947 830421506 /nfs/dbraw/zinc/42/15/06/830421506.db2.gz BFOWRGKBELFLHK-UHFFFAOYSA-N 2 0 342.362 -0.661 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]CCNC(=O)C[C@H]2CC[N@@H+](C)C2)s1 ZINC001147884597 830424689 /nfs/dbraw/zinc/42/46/89/830424689.db2.gz GIUWPZAQUSQHKM-LLVKDONJSA-N 2 0 340.453 -0.167 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900453 830428115 /nfs/dbraw/zinc/42/81/15/830428115.db2.gz NFWWACVXNHESCF-KGLIPLIRSA-N 2 0 328.457 -0.425 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900877 830428185 /nfs/dbraw/zinc/42/81/85/830428185.db2.gz XSWVXBNQKIKFPE-CHWSQXEVSA-N 2 0 341.456 -0.343 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900455 830428679 /nfs/dbraw/zinc/42/86/79/830428679.db2.gz NFWWACVXNHESCF-ZIAGYGMSSA-N 2 0 328.457 -0.425 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977164 830434053 /nfs/dbraw/zinc/43/40/53/830434053.db2.gz LTHKNOAWVOFTHZ-UHFFFAOYSA-N 2 0 325.413 -0.976 20 0 EBADRP CS(=O)(=O)N1CC[C@@H](C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001147977200 830434306 /nfs/dbraw/zinc/43/43/06/830434306.db2.gz MTWCFEGEQZIEFJ-ZDUSSCGKSA-N 2 0 344.481 -0.931 20 0 EBADRP Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)C34CC[NH+](CC3)C4)C2=O)n1 ZINC001147994591 830435293 /nfs/dbraw/zinc/43/52/93/830435293.db2.gz LGLPMIZZLMBBEJ-ZDUSSCGKSA-N 2 0 346.435 -0.673 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147994908 830435872 /nfs/dbraw/zinc/43/58/72/830435872.db2.gz UYZRYXLYIRSHKM-UHFFFAOYSA-N 2 0 339.440 -0.730 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147999851 830436964 /nfs/dbraw/zinc/43/69/64/830436964.db2.gz GBKFHYLFIDWHQM-UHFFFAOYSA-N 2 0 339.440 -0.586 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)c2c[nH+]ccc2N(C)C)CCO1 ZINC001148057383 830445052 /nfs/dbraw/zinc/44/50/52/830445052.db2.gz IKPJGXVISPIKFI-CYBMUJFWSA-N 2 0 349.435 -0.286 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001148292755 830466964 /nfs/dbraw/zinc/46/69/64/830466964.db2.gz SDFAVDLFZYYOST-LSDHHAIUSA-N 2 0 325.453 -0.130 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148365429 830476034 /nfs/dbraw/zinc/47/60/34/830476034.db2.gz PJRARSSIJVMSFJ-AWEZNQCLSA-N 2 0 330.473 -0.035 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CCN1CCNC1=O)C2 ZINC001148551652 830503940 /nfs/dbraw/zinc/50/39/40/830503940.db2.gz QNKLEGDRWJVKCT-UHFFFAOYSA-N 2 0 337.468 -0.112 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148605382 830515141 /nfs/dbraw/zinc/51/51/41/830515141.db2.gz QILKPBODTKDAEN-HUUCEWRRSA-N 2 0 325.453 -0.130 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148605380 830515748 /nfs/dbraw/zinc/51/57/48/830515748.db2.gz QILKPBODTKDAEN-CABCVRRESA-N 2 0 325.453 -0.130 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CCN1CCNC1=O)C2 ZINC001148844001 830548017 /nfs/dbraw/zinc/54/80/17/830548017.db2.gz LMVPKKAWRCRIFN-UHFFFAOYSA-N 2 0 337.468 -0.114 20 0 EBADRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCn2cncn2)CCCO1)[NH+](C)C ZINC001150350473 830870720 /nfs/dbraw/zinc/87/07/20/830870720.db2.gz IWQKZIIVAQXILG-CABCVRRESA-N 2 0 338.456 -0.175 20 0 EBADRP C[NH+]1CCC(OCC(=O)NC[C@H]2C[N@H+](CCO)CCCO2)CC1 ZINC001150507575 830919305 /nfs/dbraw/zinc/91/93/05/830919305.db2.gz HOUPIKFJJNFDCD-HNNXBMFYSA-N 2 0 329.441 -0.703 20 0 EBADRP C[C@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001150508048 830919342 /nfs/dbraw/zinc/91/93/42/830919342.db2.gz NJYJVKJUFIIZRY-GOEBONIOSA-N 2 0 343.468 -0.315 20 0 EBADRP C[C@H](O)CCC[N@@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150589491 830940227 /nfs/dbraw/zinc/94/02/27/830940227.db2.gz UNCKCXIVRYBBSJ-HOTGVXAUSA-N 2 0 345.484 -0.067 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[NH+](CCOCCO)CCCO1 ZINC001150779158 830983138 /nfs/dbraw/zinc/98/31/38/830983138.db2.gz PBNVIKRAHGHIKF-HNNXBMFYSA-N 2 0 331.457 -0.457 20 0 EBADRP COCCC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCN([C@@H](C)C(N)=O)CC1 ZINC001151027164 831012252 /nfs/dbraw/zinc/01/22/52/831012252.db2.gz PVYXVJOWAHYYQZ-KBPBESRZSA-N 2 0 340.468 -0.058 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)Nc2ccccc2)C1 ZINC001151048342 831014722 /nfs/dbraw/zinc/01/47/22/831014722.db2.gz AEYMFFPNJAEUED-ZDUSSCGKSA-N 2 0 347.419 -0.008 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)Nc2ccccc2)C1 ZINC001151048333 831015391 /nfs/dbraw/zinc/01/53/91/831015391.db2.gz AEYMFFPNJAEUED-CYBMUJFWSA-N 2 0 347.419 -0.008 20 0 EBADRP CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151066331 831019913 /nfs/dbraw/zinc/01/99/13/831019913.db2.gz SSHUFQBRGLWWDK-QWHCGFSZSA-N 2 0 341.456 -0.486 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C[NH+]1CCCC1)C(=O)NC(=O)NC(C)(C)C ZINC001151096903 831024821 /nfs/dbraw/zinc/02/48/21/831024821.db2.gz HVYGKAYDPPRRRD-LBPRGKRZSA-N 2 0 341.456 -0.199 20 0 EBADRP Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)C[NH+]3CCCC3)C2=O)cn1 ZINC001151101540 831026391 /nfs/dbraw/zinc/02/63/91/831026391.db2.gz RRRPJOHNGNNHMP-CQSZACIVSA-N 2 0 334.424 -0.673 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C[NH+]1CCCC1)C(=O)NC[C@H]1CCCO1 ZINC001151107052 831026747 /nfs/dbraw/zinc/02/67/47/831026747.db2.gz PODXJCAAZIOLDG-UONOGXRCSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001151156414 831032392 /nfs/dbraw/zinc/03/23/92/831032392.db2.gz CAMDRZYRFBWGGM-CYBMUJFWSA-N 2 0 326.441 -0.813 20 0 EBADRP CCCCNC(=O)C[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151156349 831032568 /nfs/dbraw/zinc/03/25/68/831032568.db2.gz ASWFMJDGCYNHIH-CQSZACIVSA-N 2 0 328.457 -0.423 20 0 EBADRP CC(C)N1CC[C@@H]([NH2+]CCNC(=O)[C@H](C)C[NH+]2CCOCC2)C1=O ZINC001151156438 831033071 /nfs/dbraw/zinc/03/30/71/831033071.db2.gz CLXJVHMGTDEBJD-HUUCEWRRSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001151152882 831033716 /nfs/dbraw/zinc/03/37/16/831033716.db2.gz XAPWANXLDYMSCN-CQSZACIVSA-N 2 0 348.447 -0.040 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001151156717 831034447 /nfs/dbraw/zinc/03/44/47/831034447.db2.gz GNWKGBFOGAXXMA-KBPBESRZSA-N 2 0 340.468 -0.425 20 0 EBADRP CC(C)N(C)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151156493 831035047 /nfs/dbraw/zinc/03/50/47/831035047.db2.gz DOWKHRAAIXEORH-HUUCEWRRSA-N 2 0 342.484 -0.084 20 0 EBADRP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151156471 831035241 /nfs/dbraw/zinc/03/52/41/831035241.db2.gz DFPIVDHMZBQHGT-KGLIPLIRSA-N 2 0 328.457 -0.425 20 0 EBADRP C[C@@H](C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1)CS(C)(=O)=O ZINC001151159915 831036555 /nfs/dbraw/zinc/03/65/55/831036555.db2.gz VLHKWGWXXMRNHU-KBPBESRZSA-N 2 0 349.497 -0.659 20 0 EBADRP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151159965 831036702 /nfs/dbraw/zinc/03/67/02/831036702.db2.gz VRZVISGZVCTJME-ZIAGYGMSSA-N 2 0 328.457 -0.425 20 0 EBADRP COCCC1(NC(=O)CC[NH+](C)C)CC[NH+](CCOCCO)CC1 ZINC001151308764 831055958 /nfs/dbraw/zinc/05/59/58/831055958.db2.gz URUHCNUEEYRTLG-UHFFFAOYSA-N 2 0 345.484 -0.066 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001152145619 831133971 /nfs/dbraw/zinc/13/39/71/831133971.db2.gz CRSOGUWUGHVHLJ-BETUJISGSA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001152148427 831134373 /nfs/dbraw/zinc/13/43/73/831134373.db2.gz PTOQYMURNOSXRK-KBPBESRZSA-N 2 0 346.497 -0.400 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152222694 831143404 /nfs/dbraw/zinc/14/34/04/831143404.db2.gz AUOTUTQFGGDOJE-ZDUSSCGKSA-N 2 0 341.456 -0.198 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001152236907 831143739 /nfs/dbraw/zinc/14/37/39/831143739.db2.gz ICPGOHPCDDCWSQ-UHFFFAOYSA-N 2 0 349.435 -0.087 20 0 EBADRP C[NH+](C)Cc1cccc(C(=O)NCC[NH2+]CC(=O)N2CCOCC2)c1 ZINC001152237594 831144853 /nfs/dbraw/zinc/14/48/53/831144853.db2.gz QWQFPXLDXFTVEN-UHFFFAOYSA-N 2 0 348.447 -0.074 20 0 EBADRP COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152339729 831154102 /nfs/dbraw/zinc/15/41/02/831154102.db2.gz AQBPZRJMCSFVIA-HOTGVXAUSA-N 2 0 345.484 -0.019 20 0 EBADRP CC[N@H+](CCN1CCNC1=O)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152392812 831157353 /nfs/dbraw/zinc/15/73/53/831157353.db2.gz UXXNALXPZTVWRO-ZIAGYGMSSA-N 2 0 325.457 -0.068 20 0 EBADRP C[NH+](C)Cc1ccccc1C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001152393585 831158320 /nfs/dbraw/zinc/15/83/20/831158320.db2.gz PZXCNHZYQKOZHN-CQSZACIVSA-N 2 0 332.404 -0.127 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001152451643 831164070 /nfs/dbraw/zinc/16/40/70/831164070.db2.gz BUQSYSBKGCJAMW-ZDUSSCGKSA-N 2 0 341.456 -0.198 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152446089 831164093 /nfs/dbraw/zinc/16/40/93/831164093.db2.gz TUSGWNKLJAMHAJ-LBPRGKRZSA-N 2 0 329.445 -0.345 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001152451837 831164447 /nfs/dbraw/zinc/16/44/47/831164447.db2.gz JFVWKGWJSBITOM-GFCCVEGCSA-N 2 0 327.429 -0.588 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001152445900 831164546 /nfs/dbraw/zinc/16/45/46/831164546.db2.gz QRQZVMPOQMVFEI-LSDHHAIUSA-N 2 0 331.457 -0.411 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152464547 831165147 /nfs/dbraw/zinc/16/51/47/831165147.db2.gz VXBFMUBLALXDNJ-AWEZNQCLSA-N 2 0 348.513 -0.248 20 0 EBADRP CC[N@H+](C[C@H](O)COCCOC)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155005764 831380660 /nfs/dbraw/zinc/38/06/60/831380660.db2.gz QXPMSHVFKKEQFU-CABCVRRESA-N 2 0 333.473 -0.211 20 0 EBADRP [NH3+]CC1CN([C@@H]2CCCN(c3ccc(N4CC[NH2+]CC4)nn3)C2)C1 ZINC001155372718 831403076 /nfs/dbraw/zinc/40/30/76/831403076.db2.gz JIKJXXGZPCGDBM-OAHLLOKOSA-N 2 0 331.468 -0.255 20 0 EBADRP O=C(c1cccnc1N[C@]12CC[NH2+][C@H]1CC(=O)N2)N1CC[NH2+]CC1 ZINC001155574713 831414187 /nfs/dbraw/zinc/41/41/87/831414187.db2.gz JIJWJUQRXHZMOC-BLLLJJGKSA-N 2 0 330.392 -0.883 20 0 EBADRP CN(c1ccc(OCC2CC[NH2+]CC2)nn1)S(=O)(=O)CC[NH3+] ZINC001156240033 831463383 /nfs/dbraw/zinc/46/33/83/831463383.db2.gz GCAGDLZOXLXAEP-UHFFFAOYSA-N 2 0 329.426 -0.420 20 0 EBADRP CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001157082984 831533046 /nfs/dbraw/zinc/53/30/46/831533046.db2.gz RKCBCNZPHQQKEN-KGLIPLIRSA-N 2 0 349.435 -0.126 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1Cc2cc(O)ccc2CN1 ZINC001157322961 831553648 /nfs/dbraw/zinc/55/36/48/831553648.db2.gz GLJSIOBOHOHSHT-LSDHHAIUSA-N 2 0 334.420 -0.234 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001157323036 831553715 /nfs/dbraw/zinc/55/37/15/831553715.db2.gz JVXYOVSORHGKLO-STQMWFEESA-N 2 0 325.457 -0.780 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001157323771 831553782 /nfs/dbraw/zinc/55/37/82/831553782.db2.gz NHVNQTQJJZGANB-KEYYUXOJSA-N 2 0 340.468 -0.105 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1cccnc1N1CC[NH2+]CC1 ZINC001157352227 831557195 /nfs/dbraw/zinc/55/71/95/831557195.db2.gz XENQHMNNXRPEGN-AWEZNQCLSA-N 2 0 348.451 -0.535 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)C(=O)N1CCCC1 ZINC001157398501 831564163 /nfs/dbraw/zinc/56/41/63/831564163.db2.gz GNHSVULEZSFZCC-AWEZNQCLSA-N 2 0 348.451 -0.095 20 0 EBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001157496769 831572255 /nfs/dbraw/zinc/57/22/55/831572255.db2.gz GUXJUWVNDLDKOS-GJZGRUSLSA-N 2 0 340.468 -0.105 20 0 EBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])C1CCC2(CC1)OCCO2 ZINC001157720447 831588190 /nfs/dbraw/zinc/58/81/90/831588190.db2.gz JGEQXTSPNVGVTA-KBPBESRZSA-N 2 0 327.425 -0.306 20 0 EBADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001157843267 831597139 /nfs/dbraw/zinc/59/71/39/831597139.db2.gz PWDKZOXTDZOEOQ-MGPQQGTHSA-N 2 0 343.493 -0.013 20 0 EBADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001157842131 831597339 /nfs/dbraw/zinc/59/73/39/831597339.db2.gz JPBALMDMMJKUHA-FRRDWIJNSA-N 2 0 333.440 -0.490 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001157898991 831603823 /nfs/dbraw/zinc/60/38/23/831603823.db2.gz FWNHQRMCKLRNDR-VXGBXAGGSA-N 2 0 327.429 -0.462 20 0 EBADRP [NH3+][C@@H]1CCc2nn(-c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)cc2C1 ZINC001157985511 831615720 /nfs/dbraw/zinc/61/57/20/831615720.db2.gz UZARWCPPZDGLLY-GFCCVEGCSA-N 2 0 341.419 -0.082 20 0 EBADRP Cc1ccc(C[C@H]([NH3+])C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)c(C)c1 ZINC001158093147 831626801 /nfs/dbraw/zinc/62/68/01/831626801.db2.gz UZERDCUSRJLSNF-MAUKXSAKSA-N 2 0 330.432 -0.136 20 0 EBADRP O=C([C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091521 831627341 /nfs/dbraw/zinc/62/73/41/831627341.db2.gz DSTLNYFSCOOOHP-KBXCAEBGSA-N 3 0 349.479 -0.859 20 0 EBADRP C[NH2+][C@H](Cc1ccccc1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119840 831629741 /nfs/dbraw/zinc/62/97/41/831629741.db2.gz HTFUPFZXUGHBHW-DNVCBOLYSA-N 2 0 342.443 -0.245 20 0 EBADRP [NH3+][C@@H](Cc1cccc(O)c1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158118991 831629758 /nfs/dbraw/zinc/62/97/58/831629758.db2.gz FLGSJJBQFVVYPD-KSSFIOAISA-N 2 0 344.415 -0.800 20 0 EBADRP O=C([C@H]1CC2(CO1)CC[NH2+]CC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120374 831630966 /nfs/dbraw/zinc/63/09/66/831630966.db2.gz LKSDXJTUQVSFOF-ACJLOTCBSA-N 2 0 348.447 -0.917 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158202373 831638985 /nfs/dbraw/zinc/63/89/85/831638985.db2.gz SDTCZOYCXIHZRB-WCQYABFASA-N 2 0 339.440 -0.732 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)Nc1cnccn1 ZINC001158195871 831638994 /nfs/dbraw/zinc/63/89/94/831638994.db2.gz FKGNBPILMXHRCM-CQSZACIVSA-N 2 0 346.435 -0.147 20 0 EBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CCC2(CC1)COCC(=O)N2 ZINC001158327025 831647026 /nfs/dbraw/zinc/64/70/26/831647026.db2.gz PMJMSTYZDXOYMH-AWEZNQCLSA-N 2 0 340.468 -0.010 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)NCCCOC)CC[N@@H+]1C ZINC001158403271 831650964 /nfs/dbraw/zinc/65/09/64/831650964.db2.gz CETFQORBQYSRSZ-LSDHHAIUSA-N 2 0 342.484 -0.035 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)CC[N@@H+]1C ZINC001158412629 831652006 /nfs/dbraw/zinc/65/20/06/831652006.db2.gz RZWGHDFVJLMZEW-SDDRHHMPSA-N 2 0 327.429 -0.604 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)CC[N@@H+]1C ZINC001158412053 831652296 /nfs/dbraw/zinc/65/22/96/831652296.db2.gz KKJJGAAWQCTBGN-QWHCGFSZSA-N 2 0 334.486 -0.638 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC)CC[N@@H+]1C ZINC001158412557 831652550 /nfs/dbraw/zinc/65/25/50/831652550.db2.gz PBKIFUGPHPFOHP-FRRDWIJNSA-N 2 0 341.456 -0.343 20 0 EBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158486141 831658923 /nfs/dbraw/zinc/65/89/23/831658923.db2.gz GQOFNPMFLJAWAK-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1CCSC12C[NH2+]C2 ZINC001158495614 831660031 /nfs/dbraw/zinc/66/00/31/831660031.db2.gz AAQSBUIHSLCKIT-QNWHQSFQSA-N 2 0 339.461 -0.167 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]([NH3+])Cc1cncn1C ZINC001158495965 831660680 /nfs/dbraw/zinc/66/06/80/831660680.db2.gz HRMCWPLLDIEORO-DOERSZECSA-N 2 0 335.408 -0.958 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1CC[C@H]2[NH2+]CC[C@H]2O1 ZINC001158496492 831661300 /nfs/dbraw/zinc/66/13/00/831661300.db2.gz PEDPBOGIBDNVNW-XWSJDDSLSA-N 2 0 337.420 -0.352 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[C@H](OC)CC[NH2+]1 ZINC001158507338 831661760 /nfs/dbraw/zinc/66/17/60/831661760.db2.gz XSHNXDJHOHBAGR-ZUWCUPBKSA-N 2 0 325.409 -0.495 20 0 EBADRP CCn1cc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nn1 ZINC001158507027 831661846 /nfs/dbraw/zinc/66/18/46/831661846.db2.gz OJYMDJMTTAJCTC-CABCVRRESA-N 2 0 336.440 -0.243 20 0 EBADRP COc1cncc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001158508860 831662043 /nfs/dbraw/zinc/66/20/43/831662043.db2.gz XFCXIHZMTQSIOK-GJZGRUSLSA-N 2 0 349.435 -0.056 20 0 EBADRP O=C(NCCC[NH2+]Cc1cnns1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158508867 831662065 /nfs/dbraw/zinc/66/20/65/831662065.db2.gz XHOFPOWLAZFMSW-AAEUAGOBSA-N 2 0 325.438 -0.003 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)c1cnc2n1CC[NH2+]CC2 ZINC001158505576 831662116 /nfs/dbraw/zinc/66/21/16/831662116.db2.gz DGFIHCYVTAGMBU-RWMBFGLXSA-N 2 0 347.419 -0.606 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158533025 831663203 /nfs/dbraw/zinc/66/32/03/831663203.db2.gz GWBFFDBWNQYWJU-QDEZUTFSSA-N 2 0 338.452 -0.545 20 0 EBADRP CC(C)N(C(=O)[C@@]12C[NH2+]C[C@@H]1CCN2)c1ncnc2c1CC[NH2+]CC2 ZINC001158759366 831683614 /nfs/dbraw/zinc/68/36/14/831683614.db2.gz NCAWKGKHVVPNKN-SCLBCKFNSA-N 2 0 344.463 -0.142 20 0 EBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@]13C[NH2+]C[C@H]1CCN3)CC2 ZINC001158890293 831693457 /nfs/dbraw/zinc/69/34/57/831693457.db2.gz CGEOLCQYZZYADX-KDOFPFPSSA-N 2 0 349.479 -0.859 20 0 EBADRP O=C([C@@H]1C[NH2+]CCN1)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158903241 831695004 /nfs/dbraw/zinc/69/50/04/831695004.db2.gz MWUBIFAMDJWUAM-HACGYAERSA-N 2 0 349.410 -0.364 20 0 EBADRP [NH3+]CCNCC(=O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158903046 831695100 /nfs/dbraw/zinc/69/51/00/831695100.db2.gz MBQOATRATDTSLG-MLGOLLRUSA-N 2 0 337.399 -0.377 20 0 EBADRP O=C([C@H]1C[NH2+]CCN1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159158579 831713906 /nfs/dbraw/zinc/71/39/06/831713906.db2.gz PJNLAQSXOCIBSG-OAHLLOKOSA-N 2 0 332.452 -0.575 20 0 EBADRP CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C[C@@H]21 ZINC001159191731 831717377 /nfs/dbraw/zinc/71/73/77/831717377.db2.gz JGFRKVGRAKIMEK-XDQVBPFNSA-N 2 0 341.456 -0.813 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001159335231 831741123 /nfs/dbraw/zinc/74/11/23/831741123.db2.gz WBJPARLQFQEWBH-ZDUSSCGKSA-N 2 0 334.486 -0.494 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001159356378 831744270 /nfs/dbraw/zinc/74/42/70/831744270.db2.gz YEPADNBCVVSNLR-NEPJUHHUSA-N 2 0 327.429 -0.460 20 0 EBADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@H]2CC[C@@H]2[NH3+])CC3)CC1 ZINC001159417559 831751192 /nfs/dbraw/zinc/75/11/92/831751192.db2.gz UZBZUXLIQALTOJ-GJZGRUSLSA-N 2 0 332.452 -0.290 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1Cc2ccnn2C[C@H](C(=O)N2CCCC2)C1 ZINC001159494005 831756894 /nfs/dbraw/zinc/75/68/94/831756894.db2.gz SKKWMOKSQRRIEV-HIFRSBDPSA-N 2 0 348.451 -0.470 20 0 EBADRP CC(C)CC(=O)NC[C@]12COC[C@H]1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C2 ZINC001159540642 831759977 /nfs/dbraw/zinc/75/99/77/831759977.db2.gz DFSMEEFXNSCCSP-KEYYUXOJSA-N 2 0 340.468 -0.310 20 0 EBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159549857 831760935 /nfs/dbraw/zinc/76/09/35/831760935.db2.gz SXKLLLQFFLRUSN-ZIAGYGMSSA-N 2 0 333.436 -0.020 20 0 EBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159665305 831769904 /nfs/dbraw/zinc/76/99/04/831769904.db2.gz JGIKDLZZMTTZGT-QZWWFDLISA-N 2 0 346.431 -0.394 20 0 EBADRP O=C([C@@H]1C[NH2+]CCN1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159665997 831770049 /nfs/dbraw/zinc/77/00/49/831770049.db2.gz NPOKSLZBMVIOIY-BBWFWOEESA-N 2 0 345.447 -0.555 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC001159787011 831782294 /nfs/dbraw/zinc/78/22/94/831782294.db2.gz PLUWOAFBYSZSAR-LBPRGKRZSA-N 2 0 329.426 -0.462 20 0 EBADRP CS(=O)(=O)c1nc2c(c(N[C@H](N)CCC[NH3+])n1)CC[NH2+]CC2 ZINC001159779994 831782352 /nfs/dbraw/zinc/78/23/52/831782352.db2.gz MSQZTHNLAZAZPD-NSHDSACASA-N 2 0 328.442 -0.996 20 0 EBADRP CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)CC[C@H]21 ZINC001159782434 831782541 /nfs/dbraw/zinc/78/25/41/831782541.db2.gz QQSVZQMRYVNMBL-QLFBSQMISA-N 2 0 334.464 -0.099 20 0 EBADRP CC[C@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)C(N)=O ZINC001159868735 831790059 /nfs/dbraw/zinc/79/00/59/831790059.db2.gz KULPQIIYOOBFTL-GJZGRUSLSA-N 2 0 340.468 -0.010 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O)C1CC1 ZINC001159932973 831799824 /nfs/dbraw/zinc/79/98/24/831799824.db2.gz XEXNZNOMHRFRCB-CQSZACIVSA-N 2 0 339.440 -0.636 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159997132 831803070 /nfs/dbraw/zinc/80/30/70/831803070.db2.gz HLKFTGYEXLRGJJ-UHFFFAOYSA-N 2 0 341.456 -0.198 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001160003621 831804126 /nfs/dbraw/zinc/80/41/26/831804126.db2.gz XKWLISHLNNBFRI-LLVKDONJSA-N 2 0 327.429 -0.589 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)CC[C@H]1CCC[N@@H+]1C)C(=O)NC(N)=O ZINC001160274745 831830498 /nfs/dbraw/zinc/83/04/98/831830498.db2.gz WMWSAKHFOJSWHU-NWDGAFQWSA-N 2 0 327.429 -0.460 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001160274158 831830718 /nfs/dbraw/zinc/83/07/18/831830718.db2.gz POYGKWMSNQCBJG-QWHCGFSZSA-N 2 0 341.456 -0.199 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001160273393 831830794 /nfs/dbraw/zinc/83/07/94/831830794.db2.gz LQOZBYHQSCOWNW-LBPRGKRZSA-N 2 0 327.429 -0.588 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001160274782 831830806 /nfs/dbraw/zinc/83/08/06/831830806.db2.gz WYRZHVJVQBYBIZ-ZDUSSCGKSA-N 2 0 339.440 -0.492 20 0 EBADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)C[C@@H](O)C[NH3+])CCC2 ZINC001160357126 831841031 /nfs/dbraw/zinc/84/10/31/831841031.db2.gz HRPFFOXFLJJKMO-CYBMUJFWSA-N 2 0 339.440 -0.597 20 0 EBADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)C[C@H](O)C[NH3+])CC1 ZINC001160388820 831841822 /nfs/dbraw/zinc/84/18/22/831841822.db2.gz PDZVGEVXFXLXEF-ZDUSSCGKSA-N 2 0 326.441 -0.759 20 0 EBADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)[C@H]2[NH2+]CC[C@@H]2O)CC1 ZINC001160390432 831842454 /nfs/dbraw/zinc/84/24/54/831842454.db2.gz ALGKZDBXKPKNGE-ZFWWWQNUSA-N 2 0 338.452 -0.746 20 0 EBADRP CCOC(=O)C1=C(O)CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001160428032 831848243 /nfs/dbraw/zinc/84/82/43/831848243.db2.gz OZKCOSSPAYXXGN-OCCSQVGLSA-N 2 0 325.409 -0.316 20 0 EBADRP CC(C)[C@@H](C(=O)NCCC[NH2+]C[C@@H](O)Cn1cccn1)[NH+](C)C ZINC001160434939 831850411 /nfs/dbraw/zinc/85/04/11/831850411.db2.gz VIMFORYGMSXXRI-CABCVRRESA-N 2 0 325.457 -0.074 20 0 EBADRP C[NH2+]CC1CCN(C(=O)[C@H]2Cn3cnnc3C23CC[NH2+]CC3)CC1 ZINC001160456751 831853338 /nfs/dbraw/zinc/85/33/38/831853338.db2.gz QKTSCQGDRLEVBZ-CQSZACIVSA-N 2 0 332.452 -0.013 20 0 EBADRP O=C(N1CCN(CCc2ccccn2)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160482293 831854639 /nfs/dbraw/zinc/85/46/39/831854639.db2.gz FHCZZXKBQDTVOT-VQIMIIECSA-N 2 0 343.475 -0.033 20 0 EBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCN(CCc2ccncc2)CC1 ZINC001160489832 831855989 /nfs/dbraw/zinc/85/59/89/831855989.db2.gz GDIDRWAJVVTPLG-MRXNPFEDSA-N 2 0 329.448 -0.423 20 0 EBADRP [NH3+][C@H](C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1)C1CC[NH2+]CC1 ZINC001160506212 831858158 /nfs/dbraw/zinc/85/81/58/831858158.db2.gz JKXFRQCFMHJOSL-GJZGRUSLSA-N 2 0 338.452 -0.447 20 0 EBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCn2c(Br)cnc2C1 ZINC001160542218 831862297 /nfs/dbraw/zinc/86/22/97/831862297.db2.gz QCSHNVVXZGIOFV-VIFPVBQESA-N 2 0 340.225 -0.203 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)c2ccc3c(c2)[C@@H]2C[NH2+]C[C@@H]2NC3=O)CCO1 ZINC001160644275 831874847 /nfs/dbraw/zinc/87/48/47/831874847.db2.gz BHJZNLUNAGORGA-CQDKDKBSSA-N 2 0 330.388 -0.715 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160652967 831877112 /nfs/dbraw/zinc/87/71/12/831877112.db2.gz SGGINVYBZCRJKP-CBBWQLFWSA-N 2 0 342.484 -0.189 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCc2ccc(=O)[nH]c2CC1 ZINC001160756925 831883153 /nfs/dbraw/zinc/88/31/53/831883153.db2.gz WOMBVQFEBPKRIO-CQSZACIVSA-N 2 0 333.436 -0.535 20 0 EBADRP [NH3+]CCNC(=O)/C=C/C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160780891 831885489 /nfs/dbraw/zinc/88/54/89/831885489.db2.gz ZDVHYVAPBKCTHW-FVQGUVRESA-N 2 0 328.416 -0.383 20 0 EBADRP CCOC(=O)[C@@H]1c2nc[nH]c2CCN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001160788474 831886616 /nfs/dbraw/zinc/88/66/16/831886616.db2.gz RHPPVNBXKBOOJR-JSGCOSHPSA-N 2 0 335.408 -0.275 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3C[C@]34CC[NH2+]C4)C[C@H]1C2 ZINC001160792527 831887840 /nfs/dbraw/zinc/88/78/40/831887840.db2.gz VRWDFLCHVIDXHV-ZRGCGHPPSA-N 2 0 333.432 -0.157 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@H]1C2 ZINC001160795257 831888154 /nfs/dbraw/zinc/88/81/54/831888154.db2.gz VTPZEDODHXECEV-RBUCKAEESA-N 3 0 338.452 -0.700 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)COC3CC[NH2+]CC3)C[C@H]1C[NH2+]CC2 ZINC001160812063 831890512 /nfs/dbraw/zinc/89/05/12/831890512.db2.gz YYAYEVYJGUHGTI-CXAGYDPISA-N 2 0 339.436 -0.244 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]3CC[C@@H]([NH3+])CO3)C[C@H]1C[NH2+]CC2 ZINC001160812182 831890537 /nfs/dbraw/zinc/89/05/37/831890537.db2.gz JJULFEJMKDHVGG-NFFDBFGFSA-N 2 0 325.409 -0.506 20 0 EBADRP Cn1[nH]c(C[NH2+]CCCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)nc1=O ZINC001160868310 831900797 /nfs/dbraw/zinc/90/07/97/831900797.db2.gz LUCKUVDYVFQVSU-CHWSQXEVSA-N 2 0 336.440 -0.279 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001160951060 831909238 /nfs/dbraw/zinc/90/92/38/831909238.db2.gz CNNYATUTEJVHBK-AWEZNQCLSA-N 2 0 340.468 -0.281 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)C(C)(C)C[NH+]1CCOCC1)C(=O)N(C)C ZINC001160951680 831909427 /nfs/dbraw/zinc/90/94/27/831909427.db2.gz NTZMLEKEDYJRBE-AWEZNQCLSA-N 2 0 342.484 -0.083 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001160951956 831909447 /nfs/dbraw/zinc/90/94/47/831909447.db2.gz SRVFMDWXFAYEFV-ZDUSSCGKSA-N 2 0 326.441 -0.671 20 0 EBADRP Cn1nnnc1C[NH2+]CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001160952295 831910362 /nfs/dbraw/zinc/91/03/62/831910362.db2.gz ZQAHWEZXEMSBFT-UHFFFAOYSA-N 2 0 339.444 -0.836 20 0 EBADRP C[C@@H]1CN(C(=O)c2cnn3c2nccc3[C@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC001161026725 831915568 /nfs/dbraw/zinc/91/55/68/831915568.db2.gz XILDVCNLMLGVKC-BXUZGUMPSA-N 2 0 330.392 -0.176 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC1CCOCC1 ZINC001161041152 831916153 /nfs/dbraw/zinc/91/61/53/831916153.db2.gz HHFIKZHUUVBLAQ-OAHLLOKOSA-N 2 0 340.468 -0.138 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC1CCOCC1 ZINC001161041151 831916499 /nfs/dbraw/zinc/91/64/99/831916499.db2.gz HHFIKZHUUVBLAQ-HNNXBMFYSA-N 2 0 340.468 -0.138 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161066888 831919038 /nfs/dbraw/zinc/91/90/38/831919038.db2.gz DAWLWXBTIKUXGO-RYUDHWBXSA-N 2 0 341.437 -0.973 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCN(c2cc(OC)ncn2)CC1 ZINC001161093683 831924396 /nfs/dbraw/zinc/92/43/96/831924396.db2.gz VFCLNFGTFFFICL-ZDUSSCGKSA-N 2 0 336.440 -0.149 20 0 EBADRP CN(CC[N@H+](C)Cc1ccccc1)C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001161160869 831933760 /nfs/dbraw/zinc/93/37/60/831933760.db2.gz IHDVVNWTOPMCNM-INIZCTEOSA-N 2 0 332.448 -0.093 20 0 EBADRP CCOC(=O)CN(CCC[NH3+])C(=O)CNC(=O)[C@@H]([NH3+])CC(C)C ZINC001161158608 831934006 /nfs/dbraw/zinc/93/40/06/831934006.db2.gz YTLDKZSFUHYWJQ-LBPRGKRZSA-N 2 0 330.429 -0.784 20 0 EBADRP CCC[NH+]1C[C@@H]2CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C[C@H]2C1 ZINC001161176322 831935431 /nfs/dbraw/zinc/93/54/31/831935431.db2.gz SWBVCFPNGIJPND-CHWSQXEVSA-N 2 0 332.470 -0.993 20 0 EBADRP CN(C(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219611 831937329 /nfs/dbraw/zinc/93/73/29/831937329.db2.gz RSSBIYPTJDXYPN-XQHKEYJVSA-N 2 0 327.450 -0.923 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]C[C@H](O)COCCOC ZINC001161226652 831938338 /nfs/dbraw/zinc/93/83/38/831938338.db2.gz MONTWONVHXFPAS-AWEZNQCLSA-N 2 0 333.473 -0.164 20 0 EBADRP C[C@H]1CN(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C[C@H](C)[NH2+]1 ZINC001161229898 831938393 /nfs/dbraw/zinc/93/83/93/831938393.db2.gz ZQFDXCCPQRYANJ-RWMBFGLXSA-N 2 0 329.466 -0.390 20 0 EBADRP CN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)[C@@H]1CCC2(C1)OCCO2 ZINC001161220501 831938402 /nfs/dbraw/zinc/93/84/02/831938402.db2.gz ZMOAQCVOASAIPG-KGLIPLIRSA-N 2 0 326.441 -0.509 20 0 EBADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@H]2C[NH2+]C[C@@]23C(=O)Nc2ccccc23)C1 ZINC001161239881 831940755 /nfs/dbraw/zinc/94/07/55/831940755.db2.gz SSOFUUNCZHROHQ-JLZZUVOBSA-N 2 0 332.379 -0.005 20 0 EBADRP O=C([C@H]1NC(=O)CC12C[NH2+]C2)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161271266 831943850 /nfs/dbraw/zinc/94/38/50/831943850.db2.gz ZXMLAXOIDCBPHY-GOEBONIOSA-N 2 0 343.431 -0.360 20 0 EBADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)c3cnc4n3CC[NH2+]CC4)C2)CC1 ZINC001161382512 831952178 /nfs/dbraw/zinc/95/21/78/831952178.db2.gz ZTQVGXXEHXPZRD-CQSZACIVSA-N 2 0 332.452 -0.334 20 0 EBADRP COc1cc(O[C@H]2CCN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C2)ccn1 ZINC001161395001 831953489 /nfs/dbraw/zinc/95/34/89/831953489.db2.gz QTTOSSYAGLJIAP-KBPBESRZSA-N 2 0 332.404 -0.121 20 0 EBADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161412285 831955014 /nfs/dbraw/zinc/95/50/14/831955014.db2.gz IQPGTHOPMKLISN-JONQDZQNSA-N 2 0 330.432 -0.132 20 0 EBADRP COC(=O)[C@@H]1C[C@@H](C(=O)N(CC[NH+](C)C)[C@H]2CCC[NH2+]C2)CCN1 ZINC001161444341 831958067 /nfs/dbraw/zinc/95/80/67/831958067.db2.gz GIYOYQGWVJDCMT-KKUMJFAQSA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH+](C)CCN(C(=O)c1cnc2n1CC[NH2+]CC2)[C@H]1CCC[NH2+]C1 ZINC001161453005 831958809 /nfs/dbraw/zinc/95/88/09/831958809.db2.gz WKQUIZPDGHTJAF-AWEZNQCLSA-N 3 0 334.468 -0.215 20 0 EBADRP CCCCOC(=O)[C@@H]1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001161469516 831961800 /nfs/dbraw/zinc/96/18/00/831961800.db2.gz YYMRNUWIILLSFJ-HIFRSBDPSA-N 2 0 340.468 -0.071 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)C[C@@]1(O)CCC[NH2+]C1)CC2 ZINC001161475990 831962066 /nfs/dbraw/zinc/96/20/66/831962066.db2.gz AFRPIDHBEKTATM-RCBQFDQVSA-N 2 0 325.409 -0.755 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])Cc1cncn1C)CC2 ZINC001161476279 831962680 /nfs/dbraw/zinc/96/26/80/831962680.db2.gz CJITWBNNRQQUGP-WOSRLPQWSA-N 2 0 335.408 -0.957 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)COC1CC[NH2+]CC1)CC2 ZINC001161479189 831963183 /nfs/dbraw/zinc/96/31/83/831963183.db2.gz OYXHPXMDOGQHFO-CJNGLKHVSA-N 2 0 325.409 -0.491 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1CCSC13C[NH2+]C3)CC2 ZINC001161478769 831963292 /nfs/dbraw/zinc/96/32/92/831963292.db2.gz NYOOCEGAHVPZPY-XUJVJEKNSA-N 2 0 339.461 -0.165 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])Cc1cscn1)CC2 ZINC001161478331 831963345 /nfs/dbraw/zinc/96/33/45/831963345.db2.gz LOZDAMLUGIVQMZ-YWPYICTPSA-N 2 0 338.433 -0.234 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)c1cnc3n1CC[NH2+]CC3)CC2 ZINC001161483139 831964302 /nfs/dbraw/zinc/96/43/02/831964302.db2.gz KTDJMRHEVWNVND-GUYCJALGSA-N 2 0 347.419 -0.604 20 0 EBADRP CN1C(=O)CC[C@@H]2CN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)CC[C@@H]21 ZINC001161481228 831964425 /nfs/dbraw/zinc/96/44/25/831964425.db2.gz CXEGAMBPJGSWIU-YUELXQCFSA-N 2 0 337.468 -0.794 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001161644850 831980402 /nfs/dbraw/zinc/98/04/02/831980402.db2.gz UDFGDBHAIBQIPJ-STQMWFEESA-N 2 0 341.456 -0.214 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)c1ccn2c[nH+]cc2c1)N1CCOCC1 ZINC001161863985 831998235 /nfs/dbraw/zinc/99/82/35/831998235.db2.gz UDRWRHHDSKVWOY-UHFFFAOYSA-N 2 0 345.403 -0.097 20 0 EBADRP Cc1cc(OC2CC[NH2+]CC2)nc(N(CC[NH3+])S(C)(=O)=O)n1 ZINC001162124152 832019462 /nfs/dbraw/zinc/01/94/62/832019462.db2.gz PCDOFNPHPOFJOM-UHFFFAOYSA-N 2 0 329.426 -0.359 20 0 EBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001162317120 832034187 /nfs/dbraw/zinc/03/41/87/832034187.db2.gz WSMJTOZOYGDIAO-AWEZNQCLSA-N 2 0 333.392 -0.016 20 0 EBADRP COC[C@H](O)C[NH2+]CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001162317121 832034346 /nfs/dbraw/zinc/03/43/46/832034346.db2.gz WSMJTOZOYGDIAO-CQSZACIVSA-N 2 0 333.392 -0.016 20 0 EBADRP CNC(=O)C[NH+]1CCC(CNC(=O)CCC[NH+](C)C)(COC)CC1 ZINC001162434144 832038606 /nfs/dbraw/zinc/03/86/06/832038606.db2.gz MLOYYROHRMZDRS-UHFFFAOYSA-N 2 0 342.484 -0.081 20 0 EBADRP COCC1(CNC(=O)CC[NH+](C)C)CC[NH+](CCOCCO)CC1 ZINC001162459224 832047989 /nfs/dbraw/zinc/04/79/89/832047989.db2.gz LMYLEBXOZJSQHT-UHFFFAOYSA-N 2 0 345.484 -0.208 20 0 EBADRP CNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)(COC)CC1 ZINC001162604505 832055795 /nfs/dbraw/zinc/05/57/95/832055795.db2.gz WCAXHPJPDCIKMP-AWEZNQCLSA-N 2 0 340.468 -0.471 20 0 EBADRP Cn1ncc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)n1 ZINC001162872528 832068453 /nfs/dbraw/zinc/06/84/53/832068453.db2.gz VASLBLUMJRGCOC-CXOJTPOUSA-N 2 0 334.424 -0.726 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)c1nncn1C ZINC001162872597 832069822 /nfs/dbraw/zinc/06/98/22/832069822.db2.gz XQLWSUWGPQQLLH-PEUXKQIOSA-N 2 0 348.451 -0.165 20 0 EBADRP Cc1cnc(N2CCC(C[NH3+])CC2)nc1N[C@@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001163239705 832092838 /nfs/dbraw/zinc/09/28/38/832092838.db2.gz VPRUUVUCUAOMQR-DYVFJYSZSA-N 2 0 345.451 -0.050 20 0 EBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cccc3nc([C@@H]4C[NH2+]CCO4)cn32)N1 ZINC001163252780 832094199 /nfs/dbraw/zinc/09/41/99/832094199.db2.gz IRLAFEIWPZNGSI-DCGLDWPTSA-N 2 0 342.403 -0.015 20 0 EBADRP CC1([NH3+])CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC001350346286 832159040 /nfs/dbraw/zinc/15/90/40/832159040.db2.gz RUZQUMGFJCNXKJ-AWEZNQCLSA-N 2 0 338.452 -0.304 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001164456716 832189388 /nfs/dbraw/zinc/18/93/88/832189388.db2.gz XKKQOSYMCXJEIU-CQSZACIVSA-N 2 0 348.513 -0.247 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001164539363 832195775 /nfs/dbraw/zinc/19/57/75/832195775.db2.gz ZHYGZJIBCUBCLM-LSDHHAIUSA-N 2 0 340.468 -0.188 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCN2CCNC2=O)C1 ZINC001164536698 832195907 /nfs/dbraw/zinc/19/59/07/832195907.db2.gz WPLDQARQSAIJMH-CQSZACIVSA-N 2 0 341.456 -0.783 20 0 EBADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]CCN2CCCS2(=O)=O)CC1 ZINC001165254611 832208792 /nfs/dbraw/zinc/20/87/92/832208792.db2.gz RLBBRDDMMYDBES-UHFFFAOYSA-N 2 0 346.497 -0.540 20 0 EBADRP c1nc2c(c(N3CCCO[C@@]4(C[NH2+]CCOC4)C3)n1)CC[NH2+]CC2 ZINC001165344787 832216178 /nfs/dbraw/zinc/21/61/78/832216178.db2.gz SUQBCLSMPSWUQD-KRWDZBQOSA-N 2 0 333.436 -0.250 20 0 EBADRP C[NH+](C)CCCC(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001165359662 832217770 /nfs/dbraw/zinc/21/77/70/832217770.db2.gz FORORHUMBDXSCD-UHFFFAOYSA-N 2 0 327.429 -0.634 20 0 EBADRP CC[C@H](C(=O)NCCC1(C[NH2+][C@H](C)C(=O)NC(N)=O)CC1)[NH+](C)C ZINC001165718468 832234089 /nfs/dbraw/zinc/23/40/89/832234089.db2.gz KTOFOBYXCYELFQ-VXGBXAGGSA-N 2 0 341.456 -0.214 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C)s1 ZINC001165794331 832238272 /nfs/dbraw/zinc/23/82/72/832238272.db2.gz SIYMMZPGKYAAKM-UHFFFAOYSA-N 2 0 328.442 -0.167 20 0 EBADRP CC(C)[C@H](C(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O)[NH+](C)C ZINC001166010034 832246144 /nfs/dbraw/zinc/24/61/44/832246144.db2.gz FLFGXMALJKEUHU-CQSZACIVSA-N 2 0 341.456 -0.390 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166626188 832274803 /nfs/dbraw/zinc/27/48/03/832274803.db2.gz CCEQUIHCRILMPU-HUUCEWRRSA-N 2 0 331.457 -0.410 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001166627015 832275200 /nfs/dbraw/zinc/27/52/00/832275200.db2.gz NZEAYLCONGWWKV-CQSZACIVSA-N 2 0 328.457 -0.281 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001166677227 832279334 /nfs/dbraw/zinc/27/93/34/832279334.db2.gz HNLVNMIRHXUWGR-AWEZNQCLSA-N 2 0 346.497 -0.540 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001166744549 832286891 /nfs/dbraw/zinc/28/68/91/832286891.db2.gz ZPZGAXCEFRRLMY-UHFFFAOYSA-N 2 0 329.445 -0.484 20 0 EBADRP C[C@@H]([NH2+]CC1(CCNC(=O)CCC[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001166883517 832295789 /nfs/dbraw/zinc/29/57/89/832295789.db2.gz VWALATUDCAWPOD-GFCCVEGCSA-N 2 0 341.456 -0.212 20 0 EBADRP C[C@H](COCC(=O)NCCC[NH2+][C@H]1CCN(C)C1=O)[NH+]1CCCC1 ZINC001166924333 832298674 /nfs/dbraw/zinc/29/86/74/832298674.db2.gz KEJZEOREVPOBGO-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CC[C@H]([NH2+]CCCNC(=O)COC[C@@H](C)[NH+]1CCCC1)C(N)=O ZINC001166930223 832299626 /nfs/dbraw/zinc/29/96/26/832299626.db2.gz AMBVMOHSWOQDPK-KGLIPLIRSA-N 2 0 328.457 -0.153 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166986548 832305767 /nfs/dbraw/zinc/30/57/67/832305767.db2.gz NTAWSFGUGCXAPB-UHFFFAOYSA-N 2 0 348.513 -0.247 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001167236824 832319830 /nfs/dbraw/zinc/31/98/30/832319830.db2.gz QCSMDENVSNDOII-NWDGAFQWSA-N 2 0 339.440 -0.745 20 0 EBADRP CC[C@@H](C(=O)NCCC1(C[NH2+]CC(=O)NC(=O)NC)CC1)[NH+](C)C ZINC001167260640 832321884 /nfs/dbraw/zinc/32/18/84/832321884.db2.gz CBEYWNOJWUUIPU-LBPRGKRZSA-N 2 0 341.456 -0.342 20 0 EBADRP C[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)[NH+]1CCCCCC1 ZINC001167610044 832360932 /nfs/dbraw/zinc/36/09/32/832360932.db2.gz PXWUHNZBFGMHAT-LBPRGKRZSA-N 2 0 327.429 -0.458 20 0 EBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H](C)O1 ZINC001352730748 832361986 /nfs/dbraw/zinc/36/19/86/832361986.db2.gz RGAVBDWGTNASIQ-HZSPNIEDSA-N 2 0 328.457 -0.380 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167668710 832362355 /nfs/dbraw/zinc/36/23/55/832362355.db2.gz ZTNJJEJUQICFKA-UHFFFAOYSA-N 2 0 342.484 -0.033 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC1(C[NH2+]CCS(C)(=O)=O)CC1 ZINC001167732838 832368396 /nfs/dbraw/zinc/36/83/96/832368396.db2.gz OVEQVYHXLNHVLQ-UHFFFAOYSA-N 2 0 349.497 -0.515 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001167814760 832377172 /nfs/dbraw/zinc/37/71/72/832377172.db2.gz CSLNISJTMXTPDX-UHFFFAOYSA-N 2 0 338.456 -0.174 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168029518 832388691 /nfs/dbraw/zinc/38/86/91/832388691.db2.gz HANGKRKYOLPTCN-QWHCGFSZSA-N 2 0 339.440 -0.445 20 0 EBADRP Cn1[nH]c(C[NH2+]CC2(CCNC(=O)[C@H]3CC[N@H+](C)C3)CC2)nc1=O ZINC001168138555 832398664 /nfs/dbraw/zinc/39/86/64/832398664.db2.gz SMZOQBFBZQJAGV-LBPRGKRZSA-N 2 0 336.440 -0.564 20 0 EBADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC001353322966 832422030 /nfs/dbraw/zinc/42/20/30/832422030.db2.gz JCUMKMNVDGIENI-KKUMJFAQSA-N 2 0 338.452 -0.589 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]C[C@@H](O)CO[C@@H](C)COC ZINC001168754811 832434299 /nfs/dbraw/zinc/43/42/99/832434299.db2.gz CBTBCPIAXFBCTC-LSDHHAIUSA-N 2 0 333.473 -0.164 20 0 EBADRP [NH3+][C@@H](CO)Cc1cncn1-c1ccc2nc([C@H]3CC[NH2+]C3)nn2c1 ZINC001169076144 832447322 /nfs/dbraw/zinc/44/73/22/832447322.db2.gz PJTDDFOKGMPKNM-NWDGAFQWSA-N 2 0 327.392 -0.146 20 0 EBADRP COCCCNC(=O)C[NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001169126637 832449775 /nfs/dbraw/zinc/44/97/75/832449775.db2.gz CDNFMHLUNRFKBU-UHFFFAOYSA-N 2 0 342.484 -0.033 20 0 EBADRP CN(C(=O)C[NH2+]CCCNC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001169530389 832466050 /nfs/dbraw/zinc/46/60/50/832466050.db2.gz ASSFLVDIQLGVPA-UHFFFAOYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)COC1CC[NH+](C)CC1)C(=O)N(C)C ZINC001169531382 832466559 /nfs/dbraw/zinc/46/65/59/832466559.db2.gz PLJZNNSJLRDXTC-ZDUSSCGKSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)COC1CC[NH+](C)CC1)c1nnnn1C ZINC001169531414 832466613 /nfs/dbraw/zinc/46/66/13/832466613.db2.gz QMSUJMGKYFJFIA-LBPRGKRZSA-N 2 0 339.444 -0.522 20 0 EBADRP C[C@H](CCCC[NH2+]CCNS(C)(=O)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169799920 832476409 /nfs/dbraw/zinc/47/64/09/832476409.db2.gz YDTCFRLYESGVGB-ZIAGYGMSSA-N 2 0 348.513 -0.106 20 0 EBADRP C[C@@H](CCCC[NH2+]CCNS(C)(=O)=O)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169799917 832476490 /nfs/dbraw/zinc/47/64/90/832476490.db2.gz YDTCFRLYESGVGB-KBPBESRZSA-N 2 0 348.513 -0.106 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CC[N@H+](C)CC ZINC001170211104 832491934 /nfs/dbraw/zinc/49/19/34/832491934.db2.gz JONWTWFIYZNYHF-UHFFFAOYSA-N 2 0 329.445 -0.340 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001170212375 832492580 /nfs/dbraw/zinc/49/25/80/832492580.db2.gz WJRLLRXUTRIGFL-UHFFFAOYSA-N 2 0 327.429 -0.588 20 0 EBADRP COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)cnc1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001170772684 832525248 /nfs/dbraw/zinc/52/52/48/832525248.db2.gz DIOVQHLAVHJMRK-REBRKWNGSA-N 2 0 334.420 -0.142 20 0 EBADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001171161609 832549522 /nfs/dbraw/zinc/54/95/22/832549522.db2.gz PCOSJIPTIBWFSX-NWDGAFQWSA-N 2 0 327.429 -0.602 20 0 EBADRP Cn1[nH]c(C[NH2+]CCCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)nc1=O ZINC001171162074 832549723 /nfs/dbraw/zinc/54/97/23/832549723.db2.gz UBCMZSIVAFFJPL-STQMWFEESA-N 2 0 338.456 -0.175 20 0 EBADRP COc1ncc(C[NH2+]CCCNC(=O)COCC[NH+](C)C)c(C)n1 ZINC001171206066 832550588 /nfs/dbraw/zinc/55/05/88/832550588.db2.gz ZCVPVMXBWLOQSI-UHFFFAOYSA-N 2 0 339.440 -0.032 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CC(=O)Nc1cnccn1 ZINC001171204465 832550779 /nfs/dbraw/zinc/55/07/79/832550779.db2.gz AEDGAUSTXCOUMD-UHFFFAOYSA-N 2 0 338.412 -0.911 20 0 EBADRP CC(C)CNC(=O)[C@H](C)[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171215836 832551146 /nfs/dbraw/zinc/55/11/46/832551146.db2.gz DAHSOOFISGVKJY-AWEZNQCLSA-N 2 0 330.473 -0.179 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001171215877 832551303 /nfs/dbraw/zinc/55/13/03/832551303.db2.gz FDEFHESPAWZMAM-AWEZNQCLSA-N 2 0 340.468 -0.281 20 0 EBADRP COc1coc(C[NH2+]CCCNC(=O)COCC[NH+](C)C)cc1=O ZINC001171215373 832551408 /nfs/dbraw/zinc/55/14/08/832551408.db2.gz BHMSQKDLTZARJE-UHFFFAOYSA-N 2 0 341.408 -0.178 20 0 EBADRP CCC(CC)NC(=O)C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171215844 832551527 /nfs/dbraw/zinc/55/15/27/832551527.db2.gz DBMUBCLBHVEZBX-UHFFFAOYSA-N 2 0 330.473 -0.035 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001171226502 832552399 /nfs/dbraw/zinc/55/23/99/832552399.db2.gz HEKKDYJZHRWPLN-KGLIPLIRSA-N 2 0 331.482 -0.141 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171228096 832552613 /nfs/dbraw/zinc/55/26/13/832552613.db2.gz RRXHEMCJFGJHDW-LSDHHAIUSA-N 2 0 342.484 -0.035 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171226273 832552669 /nfs/dbraw/zinc/55/26/69/832552669.db2.gz FBPLYQKREDQFKG-HNNXBMFYSA-N 2 0 328.457 -0.423 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171293351 832554599 /nfs/dbraw/zinc/55/45/99/832554599.db2.gz ICTOCRNNXDIFNK-UHFFFAOYSA-N 2 0 326.441 -0.669 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171310361 832555903 /nfs/dbraw/zinc/55/59/03/832555903.db2.gz HRGISOVOOLLHKA-UHFFFAOYSA-N 2 0 346.497 -0.493 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001171353777 832557352 /nfs/dbraw/zinc/55/73/52/832557352.db2.gz CHNYCHKYMNUUFX-GFCCVEGCSA-N 2 0 333.392 -0.338 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]C[C@H](O)CO[C@@H](C)COC ZINC001171762362 832574590 /nfs/dbraw/zinc/57/45/90/832574590.db2.gz AYVSMOZLELCDOE-GJZGRUSLSA-N 2 0 333.473 -0.164 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NCC ZINC001171758291 832574891 /nfs/dbraw/zinc/57/48/91/832574891.db2.gz VOLPJLXTFUWEEE-GFCCVEGCSA-N 2 0 329.445 -0.342 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)NC(=O)NCC(C)C ZINC001171762616 832574989 /nfs/dbraw/zinc/57/49/89/832574989.db2.gz IDMXCZBZWFALTA-UHFFFAOYSA-N 2 0 343.472 -0.094 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001171762844 832575216 /nfs/dbraw/zinc/57/52/16/832575216.db2.gz NLOOZYIHPHKPQT-CQSZACIVSA-N 2 0 348.513 -0.294 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NCCCOC ZINC001171770590 832576051 /nfs/dbraw/zinc/57/60/51/832576051.db2.gz UGFKQWFQTJENSJ-AWEZNQCLSA-N 2 0 330.473 -0.035 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 ZINC001173572628 832585875 /nfs/dbraw/zinc/58/58/75/832585875.db2.gz RPNFQZAIAKPQPW-RNJOBUHISA-N 2 0 343.424 -0.440 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001176056566 832654355 /nfs/dbraw/zinc/65/43/55/832654355.db2.gz GYUFSGVELCCKTO-GFCCVEGCSA-N 2 0 341.456 -0.342 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001176057827 832654787 /nfs/dbraw/zinc/65/47/87/832654787.db2.gz SWRZLHGRQRDYAA-CQSZACIVSA-N 2 0 331.482 -0.141 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176071816 832655725 /nfs/dbraw/zinc/65/57/25/832655725.db2.gz IJHCXJGGLCKFAT-VXGBXAGGSA-N 2 0 327.429 -0.732 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)C[NH+]1CCCC1)NC[C@@H]1CCCO1 ZINC001176102821 832657044 /nfs/dbraw/zinc/65/70/44/832657044.db2.gz MLVKERUDBLGELA-AWEZNQCLSA-N 2 0 326.441 -0.527 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176110506 832658111 /nfs/dbraw/zinc/65/81/11/832658111.db2.gz URIVQTMRAXRBBU-UHFFFAOYSA-N 2 0 341.456 -0.340 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176168578 832661309 /nfs/dbraw/zinc/66/13/09/832661309.db2.gz FGAWOLIVCGWVRF-OAHLLOKOSA-N 2 0 342.484 -0.083 20 0 EBADRP CCn1ncnc1C[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176170372 832661345 /nfs/dbraw/zinc/66/13/45/832661345.db2.gz UQWGCMMGWHXOIJ-AWEZNQCLSA-N 2 0 338.456 -0.138 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001176856591 832696543 /nfs/dbraw/zinc/69/65/43/832696543.db2.gz LQHRIDMNOQNGJJ-BETUJISGSA-N 2 0 334.486 -0.496 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCCNC(=O)CCC[NH+]1CCCC1 ZINC001176884322 832700468 /nfs/dbraw/zinc/70/04/68/832700468.db2.gz BOFNVROCDOSRRF-UHFFFAOYSA-N 2 0 334.486 -0.493 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)CCC[NH+]1CCCC1)C(=O)NC(N)=O ZINC001176884774 832701053 /nfs/dbraw/zinc/70/10/53/832701053.db2.gz SZTAHVPWJXXOIX-LBPRGKRZSA-N 2 0 327.429 -0.458 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001176890451 832701923 /nfs/dbraw/zinc/70/19/23/832701923.db2.gz UIPFIZZAHTXYCK-UHFFFAOYSA-N 2 0 349.435 -0.087 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176980653 832723833 /nfs/dbraw/zinc/72/38/33/832723833.db2.gz NPPNCDLBSRYMGV-LBPRGKRZSA-N 2 0 329.445 -0.343 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001176992715 832727719 /nfs/dbraw/zinc/72/77/19/832727719.db2.gz YNYQCTAWENDWIO-ZDUSSCGKSA-N 2 0 334.486 -0.494 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001176992782 832727820 /nfs/dbraw/zinc/72/78/20/832727820.db2.gz ZYUALKDEBPWLTF-CHWSQXEVSA-N 2 0 341.456 -0.199 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CCCNC(=O)CCCC[NH+]1CCCC1 ZINC001177333367 832775196 /nfs/dbraw/zinc/77/51/96/832775196.db2.gz XJSRVAKXMQDCSS-UHFFFAOYSA-N 2 0 327.429 -0.457 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCCCCC[NH2+]CC(N)=O)C1 ZINC001179370484 832972133 /nfs/dbraw/zinc/97/21/33/832972133.db2.gz CFRWKHHQFFTEON-CQSZACIVSA-N 2 0 328.457 -0.153 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001179409593 832975504 /nfs/dbraw/zinc/97/55/04/832975504.db2.gz ORISGRZQMJOWFS-CYDGBPFRSA-N 2 0 339.440 -0.509 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)CCN1C(=O)CC[NH+](C)C ZINC001179485920 832982168 /nfs/dbraw/zinc/98/21/68/832982168.db2.gz FBYUCKHLAALDGA-KKUMJFAQSA-N 2 0 340.468 -0.236 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C)C(=O)NC(N)=O ZINC001179472234 832982262 /nfs/dbraw/zinc/98/22/62/832982262.db2.gz JGMJZJKJWCWXHV-MDZLAQPJSA-N 2 0 339.440 -0.509 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001179549729 832987239 /nfs/dbraw/zinc/98/72/39/832987239.db2.gz HSWOWNSOQOJOAC-AVGNSLFASA-N 2 0 341.456 -0.249 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCN(C)S(C)(=O)=O)[C@@H]1C)[NH+](C)C ZINC001179554159 832987927 /nfs/dbraw/zinc/98/79/27/832987927.db2.gz SCASGKBFABNLLY-IHRRRGAJSA-N 2 0 348.513 -0.203 20 0 EBADRP C[C@@H](COCC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C)[NH+]1CCCC1 ZINC001179561943 832988811 /nfs/dbraw/zinc/98/88/11/832988811.db2.gz YSULYJMXXPKHDH-IHRRRGAJSA-N 2 0 326.441 -0.448 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212417142 837679492 /nfs/dbraw/zinc/67/94/92/837679492.db2.gz YLACESCRLBYIBQ-RBSFLKMASA-N 2 0 329.441 -0.707 20 0 EBADRP CCN(C)C(=O)CN1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001212436959 837683423 /nfs/dbraw/zinc/68/34/23/837683423.db2.gz SNNSSIPNQKBLLM-FMKPAKJESA-N 2 0 342.484 -0.134 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001187083704 833898151 /nfs/dbraw/zinc/89/81/51/833898151.db2.gz MSADOVQTVAAYEW-ZIAGYGMSSA-N 2 0 331.482 -0.047 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187106810 833900947 /nfs/dbraw/zinc/90/09/47/833900947.db2.gz MKBNICRKXHTQCG-JKSUJKDBSA-N 2 0 340.468 -0.329 20 0 EBADRP CCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187106294 833901046 /nfs/dbraw/zinc/90/10/46/833901046.db2.gz DPBIGFJBCPRDHO-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@@H](C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)CS(C)(=O)=O ZINC001187106803 833901146 /nfs/dbraw/zinc/90/11/46/833901146.db2.gz MGPUPLUOKFCSQO-UONOGXRCSA-N 2 0 349.497 -0.564 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001187107270 833901511 /nfs/dbraw/zinc/90/15/11/833901511.db2.gz ZRJQQQQFSHHAAL-TZMCWYRMSA-N 2 0 326.441 -0.578 20 0 EBADRP CN(C(=O)C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)C1CC1 ZINC001187106929 833901691 /nfs/dbraw/zinc/90/16/91/833901691.db2.gz QYIPZLOEZYZVTO-CYBMUJFWSA-N 2 0 326.441 -0.624 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001187115948 833902483 /nfs/dbraw/zinc/90/24/83/833902483.db2.gz WDRYAVRBAPMIDB-CQSZACIVSA-N 2 0 326.441 -0.719 20 0 EBADRP O=C(N1CC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001187126710 833904294 /nfs/dbraw/zinc/90/42/94/833904294.db2.gz LRPPAAIOLXGOQU-CABCVRRESA-N 2 0 333.436 -0.470 20 0 EBADRP CN1CCC[C@H]([NH2+][C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)C1=O ZINC001187122439 833904365 /nfs/dbraw/zinc/90/43/65/833904365.db2.gz SIUZOZBDVONHHY-KGLIPLIRSA-N 2 0 326.441 -0.624 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001187232536 833912450 /nfs/dbraw/zinc/91/24/50/833912450.db2.gz ZIXXWJPWFGLHPK-NWDGAFQWSA-N 2 0 327.429 -0.508 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187817876 833969812 /nfs/dbraw/zinc/96/98/12/833969812.db2.gz KTELPRBKBWMUGC-CHWSQXEVSA-N 2 0 339.440 -0.636 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCc3cccnc3)C2)C1 ZINC001187817190 833970086 /nfs/dbraw/zinc/97/00/86/833970086.db2.gz BCAWOYPHZBNGQH-JKSUJKDBSA-N 2 0 345.447 -0.160 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187825459 833971008 /nfs/dbraw/zinc/97/10/08/833971008.db2.gz MEEULTOCHJIJOZ-CHWSQXEVSA-N 2 0 332.470 -0.932 20 0 EBADRP CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001187851326 833973599 /nfs/dbraw/zinc/97/35/99/833973599.db2.gz PKXARWMBRNTIAT-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001188157974 834015093 /nfs/dbraw/zinc/01/50/93/834015093.db2.gz BGDSKHRQCFUJLA-CQSZACIVSA-N 2 0 348.513 -0.201 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001188158545 834018174 /nfs/dbraw/zinc/01/81/74/834018174.db2.gz SOACFSDCGBUPIV-CYBMUJFWSA-N 2 0 334.486 -0.544 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801713 834193251 /nfs/dbraw/zinc/19/32/51/834193251.db2.gz JQVMAQBRZQVXBV-RRFJBIMHSA-N 2 0 329.441 -0.895 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001189801443 834193390 /nfs/dbraw/zinc/19/33/90/834193390.db2.gz GNGNPRUJZATYAD-SOUVJXGZSA-N 2 0 338.452 -0.624 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192141019 834616033 /nfs/dbraw/zinc/61/60/33/834616033.db2.gz ABERHQZJEQESMK-STQMWFEESA-N 2 0 341.456 -0.295 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1O ZINC001193738315 834935778 /nfs/dbraw/zinc/93/57/78/834935778.db2.gz QMKITIQKDRJOGS-ARFHVFGLSA-N 2 0 343.468 -0.581 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194039160 835003583 /nfs/dbraw/zinc/00/35/83/835003583.db2.gz LBQOEOYOUQLYBW-CHWSQXEVSA-N 2 0 339.440 -0.541 20 0 EBADRP CC(=O)NCCOCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194038320 835004545 /nfs/dbraw/zinc/00/45/45/835004545.db2.gz JSEGNVKEAMUSTR-INIZCTEOSA-N 2 0 340.468 -0.232 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001194729068 835142904 /nfs/dbraw/zinc/14/29/04/835142904.db2.gz OGMVPTNPJWALTL-RRFJBIMHSA-N 2 0 334.376 -0.884 20 0 EBADRP Cn1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)cc1=O ZINC001195653652 835266630 /nfs/dbraw/zinc/26/66/30/835266630.db2.gz BVVUIWVFDLFDMK-HUUCEWRRSA-N 2 0 348.447 -0.612 20 0 EBADRP CCCC[C@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708167 835275250 /nfs/dbraw/zinc/27/52/50/835275250.db2.gz GUEDRRALUKZQFD-MGPQQGTHSA-N 2 0 328.457 -0.466 20 0 EBADRP CC(C)N(C)C(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708964 835275434 /nfs/dbraw/zinc/27/54/34/835275434.db2.gz UNXOMZLERLEYSD-RRFJBIMHSA-N 2 0 342.484 -0.255 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@H]2O)C1 ZINC001197792573 835608335 /nfs/dbraw/zinc/60/83/35/835608335.db2.gz MUIQFPRJEMLDGB-ARFHVFGLSA-N 2 0 325.453 -0.084 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001197826420 835613851 /nfs/dbraw/zinc/61/38/51/835613851.db2.gz WPRXLOSACQGVHW-RBSFLKMASA-N 2 0 329.441 -0.848 20 0 EBADRP CC(C)OCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826192 835613970 /nfs/dbraw/zinc/61/39/70/835613970.db2.gz PUCFZCAGBYZSTB-HUUCEWRRSA-N 2 0 331.457 -0.459 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001197826421 835614112 /nfs/dbraw/zinc/61/41/12/835614112.db2.gz WPRXLOSACQGVHW-RRFJBIMHSA-N 2 0 329.441 -0.848 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCO[C@@H]2CCOC2)C[C@H]1O ZINC001198046837 835633639 /nfs/dbraw/zinc/63/36/39/835633639.db2.gz GMVKCLURSZFBKA-BZUAXINKSA-N 2 0 343.468 -0.315 20 0 EBADRP COCCOC[C@@H](O)C[N@@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001198097484 835640275 /nfs/dbraw/zinc/64/02/75/835640275.db2.gz BZOZDUZJZGYEKM-INIZCTEOSA-N 2 0 343.468 -0.360 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729710 835716478 /nfs/dbraw/zinc/71/64/78/835716478.db2.gz YVCXFLXMXRLBMV-ARFHVFGLSA-N 2 0 343.468 -0.579 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200115512 835910995 /nfs/dbraw/zinc/91/09/95/835910995.db2.gz MZLMSQCHWCJFNU-KGLIPLIRSA-N 2 0 326.441 -0.624 20 0 EBADRP COCCOCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200122407 835912827 /nfs/dbraw/zinc/91/28/27/835912827.db2.gz DHYOIKJHYVJRAJ-HOTGVXAUSA-N 2 0 343.468 -0.049 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CCn2cncn2)C1 ZINC001200123602 835914411 /nfs/dbraw/zinc/91/44/11/835914411.db2.gz QDBCNBXEVOXAMN-HUUCEWRRSA-N 2 0 336.440 -0.421 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200480243 835973215 /nfs/dbraw/zinc/97/32/15/835973215.db2.gz YLVCLUDBLYEIOY-LSDHHAIUSA-N 2 0 340.468 -0.188 20 0 EBADRP CC(C)(C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1)[NH+]1CCCCC1 ZINC001200509180 835977119 /nfs/dbraw/zinc/97/71/19/835977119.db2.gz FNXTVDVGAAQJAB-AWEZNQCLSA-N 2 0 340.468 -0.057 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCCO1 ZINC001200529515 835980504 /nfs/dbraw/zinc/98/05/04/835980504.db2.gz WGCLBJXKNNUICD-LSDHHAIUSA-N 2 0 338.452 -0.719 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001200634697 835998952 /nfs/dbraw/zinc/99/89/52/835998952.db2.gz JKMRWSMOCFSULS-OLZOCXBDSA-N 2 0 332.420 -0.641 20 0 EBADRP CN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001200658497 836010512 /nfs/dbraw/zinc/01/05/12/836010512.db2.gz OPUPPVXIWCBISG-CABCVRRESA-N 2 0 338.452 -0.482 20 0 EBADRP CN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001200658501 836011064 /nfs/dbraw/zinc/01/10/64/836011064.db2.gz OPUPPVXIWCBISG-HUUCEWRRSA-N 2 0 338.452 -0.482 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CCCO1 ZINC001200688213 836014322 /nfs/dbraw/zinc/01/43/22/836014322.db2.gz LUTBGTCCSICDMG-ZFWWWQNUSA-N 2 0 326.441 -0.720 20 0 EBADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCCO1 ZINC001200688811 836016943 /nfs/dbraw/zinc/01/69/43/836016943.db2.gz WNHMDMSPYVORAM-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]CCOCCO)C1)C1CC1 ZINC001200688633 836017035 /nfs/dbraw/zinc/01/70/35/836017035.db2.gz SNXNNKFILXILCX-JKSUJKDBSA-N 2 0 343.468 -0.457 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001200688770 836017212 /nfs/dbraw/zinc/01/72/12/836017212.db2.gz VUUKDYUIDNNSLD-CABCVRRESA-N 2 0 340.468 -0.058 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200807087 836039608 /nfs/dbraw/zinc/03/96/08/836039608.db2.gz UXZAXXUAICAFBN-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001200851258 836047683 /nfs/dbraw/zinc/04/76/83/836047683.db2.gz MKTRRTSATWOYFY-ZIAGYGMSSA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CCC([NH2+]CCS(C)(=O)=O)CC1)C1CC1 ZINC001201052470 836085937 /nfs/dbraw/zinc/08/59/37/836085937.db2.gz FWNCXTYEQDGYLH-AWEZNQCLSA-N 2 0 331.482 -0.048 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001201065961 836087707 /nfs/dbraw/zinc/08/77/07/836087707.db2.gz CWZUFLUGJSIKLL-UHFFFAOYSA-N 2 0 339.440 -0.493 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001201226157 836112703 /nfs/dbraw/zinc/11/27/03/836112703.db2.gz VJAPHMYWQWQAHM-LSDHHAIUSA-N 2 0 340.468 -0.199 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001201226155 836112945 /nfs/dbraw/zinc/11/29/45/836112945.db2.gz VJAPHMYWQWQAHM-GJZGRUSLSA-N 2 0 340.468 -0.199 20 0 EBADRP CC[C@H](C(=O)N1CCC([NH2+][C@@H](C)C(=O)NC(=O)NC)CC1)[NH+](C)C ZINC001201238983 836115539 /nfs/dbraw/zinc/11/55/39/836115539.db2.gz FTPPTKBXTXSTHM-WCQYABFASA-N 2 0 341.456 -0.249 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCO1 ZINC001201246421 836118105 /nfs/dbraw/zinc/11/81/05/836118105.db2.gz SUXUZQNWOPVOGO-SOUVJXGZSA-N 2 0 340.468 -0.330 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1 ZINC001201260602 836119107 /nfs/dbraw/zinc/11/91/07/836119107.db2.gz JHKARDLRBYUGRV-HUUCEWRRSA-N 2 0 343.468 -0.457 20 0 EBADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1 ZINC001201308763 836127092 /nfs/dbraw/zinc/12/70/92/836127092.db2.gz CWBYCKMNURGHSS-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201333620 836129860 /nfs/dbraw/zinc/12/98/60/836129860.db2.gz AVBHGIOPNRAHSC-OAHLLOKOSA-N 2 0 338.456 -0.043 20 0 EBADRP CCN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)CC[NH+](C)C)CCCO2)C1=O ZINC001201335406 836130985 /nfs/dbraw/zinc/13/09/85/836130985.db2.gz OBYYTLAQQDFNOB-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP COCCOCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201336638 836131283 /nfs/dbraw/zinc/13/12/83/836131283.db2.gz XFRZDGCKVFYCAS-HNNXBMFYSA-N 2 0 331.457 -0.192 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCCO1 ZINC001201343422 836132105 /nfs/dbraw/zinc/13/21/05/836132105.db2.gz GGEUTDXNGGTSQQ-UKRRQHHQSA-N 2 0 328.457 -0.474 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)CCCO1 ZINC001201402128 836139808 /nfs/dbraw/zinc/13/98/08/836139808.db2.gz BCUZZGDDHKWRMS-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001201403084 836141251 /nfs/dbraw/zinc/14/12/51/836141251.db2.gz HMXFUKYUIMFMMF-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[C@@H](C(=O)N1CCCO[C@H](C[NH2+]CCOCCO)C1)[NH+](C)C ZINC001201410183 836141962 /nfs/dbraw/zinc/14/19/62/836141962.db2.gz CJQUKANAVZKAKK-CABCVRRESA-N 2 0 331.457 -0.457 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCCO[C@H](C[NH2+]CCn2cncn2)C1 ZINC001201678796 836174498 /nfs/dbraw/zinc/17/44/98/836174498.db2.gz OWQTVGNPTWDUEM-OAHLLOKOSA-N 2 0 338.456 -0.173 20 0 EBADRP C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CCCO1 ZINC001201727486 836184558 /nfs/dbraw/zinc/18/45/58/836184558.db2.gz XMUFZCZZXXFJMW-GDBMZVCRSA-N 2 0 343.468 -0.315 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCCO[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001201800075 836193550 /nfs/dbraw/zinc/19/35/50/836193550.db2.gz CADJEGZDVNEGAZ-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCCO[C@@H](C[NH2+][C@H](C)C(=O)NC)C1 ZINC001201808202 836195050 /nfs/dbraw/zinc/19/50/50/836195050.db2.gz BLVQHYGPVFMITQ-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP COC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201864211 836208100 /nfs/dbraw/zinc/20/81/00/836208100.db2.gz UFDAHJPJLWCKGX-HUUCEWRRSA-N 2 0 331.457 -0.193 20 0 EBADRP CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CCCO1)C(N)=O ZINC001201864477 836209221 /nfs/dbraw/zinc/20/92/21/836209221.db2.gz XVKBCJGMODBNMW-ZIAGYGMSSA-N 2 0 344.456 -0.964 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCCO[C@H](C[NH2+][C@H](CC)C(N)=O)C1 ZINC001201931988 836218350 /nfs/dbraw/zinc/21/83/50/836218350.db2.gz QBFTXAQZISUIDQ-ZIAGYGMSSA-N 2 0 328.457 -0.201 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202057150 836242937 /nfs/dbraw/zinc/24/29/37/836242937.db2.gz CWVCLATWPHQVSE-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202058228 836244220 /nfs/dbraw/zinc/24/42/20/836244220.db2.gz IQCXDHHBMUYPDW-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202058609 836244371 /nfs/dbraw/zinc/24/43/71/836244371.db2.gz LNCBUVFHYCKAQD-KGLIPLIRSA-N 2 0 326.441 -0.719 20 0 EBADRP C[C@H]([NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CCCO1)C(N)=O ZINC001202133368 836259139 /nfs/dbraw/zinc/25/91/39/836259139.db2.gz FNTXKIJWBNVKAQ-GJZGRUSLSA-N 2 0 340.468 -0.057 20 0 EBADRP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCCO1 ZINC001202162905 836265117 /nfs/dbraw/zinc/26/51/17/836265117.db2.gz BKNGEIGXACRLOM-LSDHHAIUSA-N 2 0 331.457 -0.459 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCCO[C@@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001202164418 836266780 /nfs/dbraw/zinc/26/67/80/836266780.db2.gz MKTCHOBWJRTZJN-AWEZNQCLSA-N 2 0 349.497 -0.422 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CCC([NH2+]CCNS(C)(=O)=O)CC2)CC1 ZINC001202224584 836277825 /nfs/dbraw/zinc/27/78/25/836277825.db2.gz BWZLOTPZWOLUKP-UHFFFAOYSA-N 2 0 346.497 -0.542 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CCC([NH2+]CCS(C)(=O)=O)CC2)CC1 ZINC001202225427 836278109 /nfs/dbraw/zinc/27/81/09/836278109.db2.gz XTPFDSAPDRYEPZ-UHFFFAOYSA-N 2 0 331.482 -0.047 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CCC([NH2+][C@@H]3CCC(=O)NC3=O)CC2)CC1 ZINC001202225127 836278921 /nfs/dbraw/zinc/27/89/21/836278921.db2.gz RBKFUQXWEWRZBQ-CYBMUJFWSA-N 2 0 336.436 -0.286 20 0 EBADRP C[C@@H]([NH2+]C1CCN(C(=O)CCC[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001202239227 836283987 /nfs/dbraw/zinc/28/39/87/836283987.db2.gz UCMIAYLHLFLRRF-LLVKDONJSA-N 2 0 327.429 -0.508 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001202239178 836284072 /nfs/dbraw/zinc/28/40/72/836284072.db2.gz SFFCYYSYCSHWOL-LBPRGKRZSA-N 2 0 341.456 -0.247 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC([NH2+]CCCN2C(=O)CNC2=O)CC1 ZINC001202331852 836292047 /nfs/dbraw/zinc/29/20/47/836292047.db2.gz ZEICKUOQCAZOQO-UHFFFAOYSA-N 2 0 339.440 -0.539 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202331362 836292142 /nfs/dbraw/zinc/29/21/42/836292142.db2.gz PMPYMEIUJJDTPW-NSHDSACASA-N 2 0 327.429 -0.637 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001202331827 836292152 /nfs/dbraw/zinc/29/21/52/836292152.db2.gz YYASQVBDHFVRRB-UHFFFAOYSA-N 2 0 325.413 -0.930 20 0 EBADRP C[C@@H](COCC(=O)N1CCC([NH2+][C@@H](C)C(N)=O)CC1)[NH+]1CCCC1 ZINC001202559410 836317147 /nfs/dbraw/zinc/31/71/47/836317147.db2.gz CHVSFCDJGYPIMJ-KBPBESRZSA-N 2 0 340.468 -0.058 20 0 EBADRP C[NH+]1CCC(CC(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)CC1 ZINC001202772951 836344647 /nfs/dbraw/zinc/34/46/47/836344647.db2.gz VDHORBMGZWASNY-UHFFFAOYSA-N 2 0 339.440 -0.506 20 0 EBADRP COC[C@@H](O)C[NH2+]C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001203079592 836393771 /nfs/dbraw/zinc/39/37/71/836393771.db2.gz UPNAGDIBANAZFP-HNNXBMFYSA-N 2 0 343.468 -0.315 20 0 EBADRP C[C@H]([NH2+]C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1)C(=O)NC(N)=O ZINC001203337586 836422300 /nfs/dbraw/zinc/42/23/00/836422300.db2.gz MCJBEYQBASNBKK-NWDGAFQWSA-N 2 0 339.440 -0.508 20 0 EBADRP C[C@@H]([NH2+]C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1)C(=O)NC(N)=O ZINC001203337585 836422373 /nfs/dbraw/zinc/42/23/73/836422373.db2.gz MCJBEYQBASNBKK-NEPJUHHUSA-N 2 0 339.440 -0.508 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]CCNS(C)(=O)=O)CC2)C1 ZINC001203337599 836422383 /nfs/dbraw/zinc/42/23/83/836422383.db2.gz MOGQSWZTVLDWQW-ZDUSSCGKSA-N 2 0 346.497 -0.542 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203356811 836425067 /nfs/dbraw/zinc/42/50/67/836425067.db2.gz BSYHOKMDLDKBKI-QWRGUYRKSA-N 2 0 325.413 -0.850 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC([NH2+]CC(=O)NC(=O)NC)CC1 ZINC001203456434 836433844 /nfs/dbraw/zinc/43/38/44/836433844.db2.gz YNXUKSJSXQREQA-UHFFFAOYSA-N 2 0 327.429 -0.636 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001203709454 836465207 /nfs/dbraw/zinc/46/52/07/836465207.db2.gz RQEOFTPDOYWMFK-ZIAGYGMSSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC([NH2+]CCOCCO)CC1 ZINC001203709179 836465282 /nfs/dbraw/zinc/46/52/82/836465282.db2.gz NKBWEZBXJIMMBQ-HNNXBMFYSA-N 2 0 343.468 -0.456 20 0 EBADRP C[C@H]([NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1)C(=O)NC(N)=O ZINC001203713595 836466220 /nfs/dbraw/zinc/46/62/20/836466220.db2.gz ACWRRZANIDQYCK-NSHDSACASA-N 2 0 325.413 -0.754 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001203925664 836488662 /nfs/dbraw/zinc/48/86/62/836488662.db2.gz UJGRYRRNSRXWQB-UHFFFAOYSA-N 2 0 339.440 -0.541 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001205526312 836575238 /nfs/dbraw/zinc/57/52/38/836575238.db2.gz OSNDZUHVTWUKGM-CYBMUJFWSA-N 2 0 339.440 -0.506 20 0 EBADRP CN(CC[NH2+]CC1CCN(C(=O)CC[NH+](C)C)CC1)S(C)(=O)=O ZINC001206153374 836626323 /nfs/dbraw/zinc/62/63/23/836626323.db2.gz UXJFXEZCEHHSGT-UHFFFAOYSA-N 2 0 348.513 -0.342 20 0 EBADRP C[C@H]([NH2+]CC1CCN(C(=O)CC[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001206138641 836626767 /nfs/dbraw/zinc/62/67/67/836626767.db2.gz RNFIOYUEGFPVPZ-NSHDSACASA-N 2 0 327.429 -0.650 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001206874918 836687741 /nfs/dbraw/zinc/68/77/41/836687741.db2.gz NVDBAOJSDLKACC-UHFFFAOYSA-N 2 0 337.424 -0.895 20 0 EBADRP O=C(N1CCC(C[NH2+]CCN2CCNC2=O)CC1)C12CC[NH+](CC1)C2 ZINC001206874895 836687915 /nfs/dbraw/zinc/68/79/15/836687915.db2.gz MYPSNZXSWDJEBX-UHFFFAOYSA-N 2 0 349.479 -0.064 20 0 EBADRP C[C@H]([NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1)C(=O)NC(N)=O ZINC001206928752 836715891 /nfs/dbraw/zinc/71/58/91/836715891.db2.gz HVSSVYGBCOQVGZ-LBPRGKRZSA-N 2 0 339.440 -0.506 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001207688737 836844617 /nfs/dbraw/zinc/84/46/17/836844617.db2.gz RYQYGSPCZAEFIQ-VXGBXAGGSA-N 2 0 325.413 -0.883 20 0 EBADRP CN(CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1)S(C)(=O)=O ZINC001207688444 836846233 /nfs/dbraw/zinc/84/62/33/836846233.db2.gz PHVHZMXKASSZBS-KGLIPLIRSA-N 2 0 346.497 -0.447 20 0 EBADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C)[NH+](C)C ZINC001207697781 836847288 /nfs/dbraw/zinc/84/72/88/836847288.db2.gz KHKIYHQOUSBAQO-MGPQQGTHSA-N 2 0 325.457 -0.212 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208014639 836922183 /nfs/dbraw/zinc/92/21/83/836922183.db2.gz RVNSMRFMQDDJBU-QWHCGFSZSA-N 2 0 339.440 -0.365 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]([NH2+]CCOCCO)C1 ZINC001208063832 836938353 /nfs/dbraw/zinc/93/83/53/836938353.db2.gz WVIXWPDYGOLRNW-CVEARBPZSA-N 2 0 325.453 -0.082 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208357893 837004959 /nfs/dbraw/zinc/00/49/59/837004959.db2.gz DLTNZPJOESYZMS-STQMWFEESA-N 2 0 339.440 -0.364 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001208373518 837012564 /nfs/dbraw/zinc/01/25/64/837012564.db2.gz KBEUPGBUYKEFNR-AAEUAGOBSA-N 2 0 327.429 -0.652 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1)[NH+](C)C ZINC001208414425 837026645 /nfs/dbraw/zinc/02/66/45/837026645.db2.gz PFMRNHFQYGHIFA-ZIAGYGMSSA-N 2 0 348.513 -0.201 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001208447993 837042575 /nfs/dbraw/zinc/04/25/75/837042575.db2.gz SWTBIVJVSNBJQW-CYBMUJFWSA-N 2 0 348.513 -0.154 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001208491412 837065749 /nfs/dbraw/zinc/06/57/49/837065749.db2.gz ILCBJSZHEVJTEF-LBPRGKRZSA-N 2 0 337.424 -0.610 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209313701 837153860 /nfs/dbraw/zinc/15/38/60/837153860.db2.gz GCUAXSYPIDQHFM-OLZOCXBDSA-N 2 0 341.456 -0.247 20 0 EBADRP COCCOC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209325025 837157143 /nfs/dbraw/zinc/15/71/43/837157143.db2.gz WJZRZLUWQAVEKC-HOTGVXAUSA-N 2 0 345.484 -0.067 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001209408031 837164748 /nfs/dbraw/zinc/16/47/48/837164748.db2.gz IPHLWVJDQLFSEQ-GFCCVEGCSA-N 2 0 325.413 -0.896 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001209455607 837168335 /nfs/dbraw/zinc/16/83/35/837168335.db2.gz VTCVFBJLFKFGQU-CABCVRRESA-N 2 0 340.468 -0.498 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001209643675 837185776 /nfs/dbraw/zinc/18/57/76/837185776.db2.gz VFWQHOZJHDTWHB-CHWSQXEVSA-N 2 0 339.440 -0.636 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCNS(=O)(=O)CC)C1)[NH+](C)C ZINC001209669798 837188528 /nfs/dbraw/zinc/18/85/28/837188528.db2.gz UOTLUPYOUBKEOE-KBPBESRZSA-N 2 0 348.513 -0.154 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001209669781 837188570 /nfs/dbraw/zinc/18/85/70/837188570.db2.gz UHHRUKYUILXCQZ-OLZOCXBDSA-N 2 0 334.486 -0.544 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001209670307 837188854 /nfs/dbraw/zinc/18/88/54/837188854.db2.gz YBWKNLILQPRCON-NEPJUHHUSA-N 2 0 327.429 -0.637 20 0 EBADRP C[C@H](COCC(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001209714665 837194067 /nfs/dbraw/zinc/19/40/67/837194067.db2.gz ADERBVTWNGYOHY-KGLIPLIRSA-N 2 0 326.441 -0.447 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001210220806 837256577 /nfs/dbraw/zinc/25/65/77/837256577.db2.gz WXWUTBVSFRWVLW-LBPRGKRZSA-N 2 0 327.429 -0.636 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001210221329 837257016 /nfs/dbraw/zinc/25/70/16/837257016.db2.gz ZSAMIHZKLAJNOI-QWHCGFSZSA-N 2 0 341.456 -0.247 20 0 EBADRP C[C@@H]1C[N@@H+]([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210314510 837269081 /nfs/dbraw/zinc/26/90/81/837269081.db2.gz AASNTEMVJDSJLS-KFWWJZLASA-N 2 0 340.468 -0.378 20 0 EBADRP C[C@@H]1C[N@@H+]([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210314512 837269576 /nfs/dbraw/zinc/26/95/76/837269576.db2.gz AASNTEMVJDSJLS-RBSFLKMASA-N 2 0 340.468 -0.378 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CCC[C@@H]([NH2+]CCOCCO)C2)CC1 ZINC001210339825 837272855 /nfs/dbraw/zinc/27/28/55/837272855.db2.gz QINDEKFDGWUKFM-OAHLLOKOSA-N 2 0 343.468 -0.313 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001210493015 837289707 /nfs/dbraw/zinc/28/97/07/837289707.db2.gz HOYIWTSGBYEJIT-CHWSQXEVSA-N 2 0 341.456 -0.247 20 0 EBADRP CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)COCC[NH+](C)C)C2)C1=O ZINC001210685730 837319947 /nfs/dbraw/zinc/31/99/47/837319947.db2.gz YBRDTGXTSJNDIS-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210685084 837320653 /nfs/dbraw/zinc/32/06/53/837320653.db2.gz MTYJQEWEURFWCU-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001210784284 837332258 /nfs/dbraw/zinc/33/22/58/837332258.db2.gz XOTUUOAHSWPMCX-GFCCVEGCSA-N 2 0 327.429 -0.506 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211064843 837379443 /nfs/dbraw/zinc/37/94/43/837379443.db2.gz RCNFLANTNPLYJA-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001211071102 837379627 /nfs/dbraw/zinc/37/96/27/837379627.db2.gz GSOYLYFMEOOZBC-UONOGXRCSA-N 2 0 331.482 -0.047 20 0 EBADRP COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213864020 837887659 /nfs/dbraw/zinc/88/76/59/837887659.db2.gz XXGGSSSZNXTNHZ-ARFHVFGLSA-N 2 0 343.468 -0.193 20 0 EBADRP C[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC001319716601 838171097 /nfs/dbraw/zinc/17/10/97/838171097.db2.gz IOLFSIWPHFJDFZ-CABCVRRESA-N 2 0 337.468 -0.114 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC001319959754 838200555 /nfs/dbraw/zinc/20/05/55/838200555.db2.gz FPXTXZXDHVVWHJ-ZDUSSCGKSA-N 2 0 348.451 -0.016 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCNC(=O)NC(C)(C)C)C1 ZINC001320316535 838756487 /nfs/dbraw/zinc/75/64/87/838756487.db2.gz YEAAJPFKNPFAHX-OLZOCXBDSA-N 2 0 343.472 -0.898 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001320633697 838808711 /nfs/dbraw/zinc/80/87/11/838808711.db2.gz JWPUHDHLUVJSGA-STQMWFEESA-N 2 0 341.456 -0.342 20 0 EBADRP CCN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001320891666 838855682 /nfs/dbraw/zinc/85/56/82/838855682.db2.gz PCOORTZNVPRBDC-CYBMUJFWSA-N 2 0 339.440 -0.682 20 0 EBADRP CC(C)(C(=O)NC/C=C/C[NH2+]CC(=O)NC(N)=O)[NH+]1CCCCC1 ZINC001321056622 838894935 /nfs/dbraw/zinc/89/49/35/838894935.db2.gz HXURUCLGRMHDPU-SNAWJCMRSA-N 2 0 339.440 -0.292 20 0 EBADRP O=C(CCC[NH+]1CCCC1)NC/C=C\C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001321416206 838987045 /nfs/dbraw/zinc/98/70/45/838987045.db2.gz HGRMGXAYVRUOLA-DDGIKZQJSA-N 2 0 336.436 -0.070 20 0 EBADRP C[C@@H]([NH2+]C/C=C/CNC(=O)CC[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001321418026 838988030 /nfs/dbraw/zinc/98/80/30/838988030.db2.gz XHZIYWDYHBGQFZ-ITDFMYJTSA-N 2 0 339.440 -0.292 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001321848352 839086708 /nfs/dbraw/zinc/08/67/08/839086708.db2.gz HDQZCHVUKYCSRJ-YNEHKIRRSA-N 2 0 334.486 -0.640 20 0 EBADRP CN(CCC[NH2+]CCNS(C)(=O)=O)C(=O)C12CC[NH+](CC1)C2 ZINC001322792293 839263941 /nfs/dbraw/zinc/26/39/41/839263941.db2.gz JZHQEDKLWZFNCW-UHFFFAOYSA-N 2 0 332.470 -0.931 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CCC[NH2+]CC(=O)N1CCC1 ZINC001322838004 839281465 /nfs/dbraw/zinc/28/14/65/839281465.db2.gz XDBBWMIZMPQIRA-HNNXBMFYSA-N 2 0 340.468 -0.375 20 0 EBADRP C[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)C[NH+]1CCCC1 ZINC001324098646 839591627 /nfs/dbraw/zinc/59/16/27/839591627.db2.gz SJWGNCKBHCFOMP-KBPBESRZSA-N 2 0 346.497 -0.400 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(C)(CO)CC1 ZINC001324880584 839730911 /nfs/dbraw/zinc/73/09/11/839730911.db2.gz JEMDANKSFCALIP-UHFFFAOYSA-N 2 0 342.484 -0.441 20 0 EBADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001325594643 839894912 /nfs/dbraw/zinc/89/49/12/839894912.db2.gz FHKDDRYDEXBLMB-UONOGXRCSA-N 2 0 331.482 -0.189 20 0 EBADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]CCS(C)(=O)=O ZINC001325594641 839895332 /nfs/dbraw/zinc/89/53/32/839895332.db2.gz FHKDDRYDEXBLMB-KBPBESRZSA-N 2 0 331.482 -0.189 20 0 EBADRP C[NH+](C)CCCCC(=O)N[C@]1(CO)CCCN([C@@H]2CCNC2=O)C1 ZINC001325863764 839961315 /nfs/dbraw/zinc/96/13/15/839961315.db2.gz AMOMGSDYTVQKCC-RHSMWYFYSA-N 2 0 340.468 -0.450 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N(CCO)CC[NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC001326146338 840048668 /nfs/dbraw/zinc/04/86/68/840048668.db2.gz KEFLKLYUJULKDX-INIZCTEOSA-N 2 0 348.447 -0.352 20 0 EBADRP C[C@@H](CNC(=O)c1cn(CCCC[NH3+])nn1)C[NH+]1CCN(C)CC1 ZINC001326340419 840087677 /nfs/dbraw/zinc/08/76/77/840087677.db2.gz JTKIMUDSTVHMRD-AWEZNQCLSA-N 2 0 337.472 -0.370 20 0 EBADRP [NH3+]CC1(CCNC(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC001326552419 840133889 /nfs/dbraw/zinc/13/38/89/840133889.db2.gz WIHLHUDJNWFQLZ-UHFFFAOYSA-N 2 0 326.441 -0.540 20 0 EBADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001326597915 840145057 /nfs/dbraw/zinc/14/50/57/840145057.db2.gz CVTCRYZVYLZYMW-ROUUACIJSA-N 3 0 341.544 -0.542 20 0 EBADRP C[C@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)C[NH+]1CCN(C)CC1 ZINC001326600820 840147075 /nfs/dbraw/zinc/14/70/75/840147075.db2.gz DUPPSAAIFYOFAP-CQSZACIVSA-N 2 0 339.484 -0.769 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)CCC[NH+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC001327259129 840344075 /nfs/dbraw/zinc/34/40/75/840344075.db2.gz ZXKKPTYDBDTJPN-KGLIPLIRSA-N 2 0 338.452 -0.086 20 0 EBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC001327510144 840440862 /nfs/dbraw/zinc/44/08/62/840440862.db2.gz LZGZAZOFJRIXEV-AWEZNQCLSA-N 2 0 331.420 -0.360 20 0 EBADRP C[NH+]1CCN(c2ccccc2CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC001327537189 840447769 /nfs/dbraw/zinc/44/77/69/840447769.db2.gz MEGPPPCMJHZVML-OAHLLOKOSA-N 2 0 345.447 -0.386 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@@](CO)([NH2+]CCCO)C1 ZINC001327606690 840471956 /nfs/dbraw/zinc/47/19/56/840471956.db2.gz GASCWMZDWMFTHX-NVXWUHKLSA-N 2 0 343.468 -0.720 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@@H]([NH2+]C)C2)CC1 ZINC001328352158 840658767 /nfs/dbraw/zinc/65/87/67/840658767.db2.gz TWVQLAUHWCAJNP-CQSZACIVSA-N 2 0 325.457 -0.020 20 0 EBADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001328745283 840739617 /nfs/dbraw/zinc/73/96/17/840739617.db2.gz DLOPPJGYCIUGCQ-XQLPTFJDSA-N 2 0 338.452 -0.401 20 0 EBADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001328745280 840740167 /nfs/dbraw/zinc/74/01/67/840740167.db2.gz DLOPPJGYCIUGCQ-AJNGGQMLSA-N 2 0 338.452 -0.401 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC001328960372 840800204 /nfs/dbraw/zinc/80/02/04/840800204.db2.gz ZYQIQLHHNRCVSA-UHFFFAOYSA-N 2 0 332.364 -0.313 20 0 EBADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC001329047271 840825201 /nfs/dbraw/zinc/82/52/01/840825201.db2.gz HDODLCZAATWMRU-LBPRGKRZSA-N 2 0 330.348 -0.690 20 0 EBADRP CCC[NH+]1CCC(NC(=O)C(=O)N(C)CCOCC[NH2+]C)CC1 ZINC001329058703 840831107 /nfs/dbraw/zinc/83/11/07/840831107.db2.gz CFPNCBQBDGJYFJ-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP CC[NH+](CC)C1CCN(C(=O)C(=O)NCCOCC[NH2+]C)CC1 ZINC001329094072 840839603 /nfs/dbraw/zinc/83/96/03/840839603.db2.gz LZJFXVOSRCZHQS-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC001329511984 840943871 /nfs/dbraw/zinc/94/38/71/840943871.db2.gz GOCASGCXNAQPTC-AWEZNQCLSA-N 2 0 344.375 -0.611 20 0 EBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CCCN1C(=O)CNC1=O ZINC001329615412 840967097 /nfs/dbraw/zinc/96/70/97/840967097.db2.gz ZSHHPLHVDWDIGE-CYBMUJFWSA-N 2 0 339.440 -0.539 20 0 EBADRP C[C@H]([NH2+]CCCOC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(N)=O ZINC001329773250 841014600 /nfs/dbraw/zinc/01/46/00/841014600.db2.gz ISWMJYYKJZPMIJ-ZFWWWQNUSA-N 2 0 340.468 -0.058 20 0 EBADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001329841381 841038539 /nfs/dbraw/zinc/03/85/39/841038539.db2.gz DQXXUIPPGSBPTK-JSGCOSHPSA-N 2 0 326.441 -0.530 20 0 EBADRP CO[C@@H](C)CN(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001329889214 841052928 /nfs/dbraw/zinc/05/29/28/841052928.db2.gz XMXMJIYAFMOSFL-RRFJBIMHSA-N 2 0 342.484 -0.323 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC001330263832 841153550 /nfs/dbraw/zinc/15/35/50/841153550.db2.gz DYMOVFQMYHCONB-HNNXBMFYSA-N 2 0 327.473 -0.620 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](C[NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001330657091 841253457 /nfs/dbraw/zinc/25/34/57/841253457.db2.gz VKNGNHKBIOZEGF-IHRRRGAJSA-N 2 0 346.497 -0.638 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001330700136 841259783 /nfs/dbraw/zinc/25/97/83/841259783.db2.gz JUBKWRZTKDAVGT-IHRRRGAJSA-N 2 0 336.436 -0.429 20 0 EBADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)ccn1 ZINC001331129877 841345997 /nfs/dbraw/zinc/34/59/97/841345997.db2.gz CWEDEDHKOGFMHQ-KBPBESRZSA-N 2 0 347.419 -0.789 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001331642430 841447754 /nfs/dbraw/zinc/44/77/54/841447754.db2.gz BDMKJKBQILKHLU-GFCCVEGCSA-N 2 0 327.429 -0.685 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001331958506 841538625 /nfs/dbraw/zinc/53/86/25/841538625.db2.gz SEVRLVPOELRLRS-KBPBESRZSA-N 2 0 326.441 -0.589 20 0 EBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)C1 ZINC001332251283 841599199 /nfs/dbraw/zinc/59/91/99/841599199.db2.gz QYZZAHFVLWVKOL-LJISPDSOSA-N 2 0 338.452 -0.401 20 0 EBADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001332332380 841617447 /nfs/dbraw/zinc/61/74/47/841617447.db2.gz OKNULYUFJJNJIS-MELADBBJSA-N 2 0 331.420 -0.028 20 0 EBADRP CN(CCOCC[NH2+][C@H]1CCN(C)C1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001333222046 841823542 /nfs/dbraw/zinc/82/35/42/841823542.db2.gz CMTRMUQGUDPQRY-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC001333339065 841852804 /nfs/dbraw/zinc/85/28/04/841852804.db2.gz VQBJLPBXQJRIES-MRXNPFEDSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC001333363350 841859540 /nfs/dbraw/zinc/85/95/40/841859540.db2.gz NLEQEHJSWBKSHA-MCIONIFRSA-N 2 0 326.441 -0.448 20 0 EBADRP CC(C)[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C)N1CC[NH+](C)CC1 ZINC001333401228 841866291 /nfs/dbraw/zinc/86/62/91/841866291.db2.gz CIHVQPLSAOMZBE-ZNMIVQPWSA-N 2 0 339.484 -0.677 20 0 EBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)Cc1ccccc1 ZINC001333883095 841960784 /nfs/dbraw/zinc/96/07/84/841960784.db2.gz GKKPDQPUCVTXBJ-XHSDSOJGSA-N 2 0 330.432 -0.152 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001333908759 841964245 /nfs/dbraw/zinc/96/42/45/841964245.db2.gz ITIGKGBFPMRLIF-HZSPNIEDSA-N 2 0 326.441 -0.687 20 0 EBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)C2)CC1 ZINC001333926152 841967559 /nfs/dbraw/zinc/96/75/59/841967559.db2.gz BNSJQENTKOESME-MJBXVCDLSA-N 2 0 337.468 -0.875 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001333943006 841972173 /nfs/dbraw/zinc/97/21/73/841972173.db2.gz INBNTYSYHULJBZ-RDBSUJKOSA-N 2 0 338.452 -0.448 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C3)C[C@@H]21 ZINC001334826768 842137429 /nfs/dbraw/zinc/13/74/29/842137429.db2.gz IMWZDYHALVMSDT-WYUUTHIRSA-N 2 0 348.369 -0.113 20 0 EBADRP CN1CC[N@H+](C)CC(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)C1 ZINC001334920534 842149105 /nfs/dbraw/zinc/14/91/05/842149105.db2.gz VEOPTEACOJWPMD-UHFFFAOYSA-N 2 0 325.501 -0.378 20 0 EBADRP CC[NH+]1CCC(NC(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC001335168603 842213254 /nfs/dbraw/zinc/21/32/54/842213254.db2.gz KADSSTXYQFOUAS-UHFFFAOYSA-N 2 0 325.457 -0.874 20 0 EBADRP CN(C(=O)C(=O)N1CCC(C[NH+](C)C)CC1)C1(C[NH3+])CCOCC1 ZINC001335301095 842255539 /nfs/dbraw/zinc/25/55/39/842255539.db2.gz GBNHZWHPAQWSQE-UHFFFAOYSA-N 2 0 340.468 -0.247 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCS(=O)(=O)C(F)(F)F)CC1 ZINC001335428556 842278180 /nfs/dbraw/zinc/27/81/80/842278180.db2.gz DKRYTCVKSIEDBG-JTQLQIEISA-N 2 0 333.376 -0.881 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001335547628 842302840 /nfs/dbraw/zinc/30/28/40/842302840.db2.gz LECIYSRVMUUNRE-UHFFFAOYSA-N 2 0 339.484 -0.755 20 0 EBADRP C[NH2+]CCN(C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C(C)C ZINC001335795204 842355391 /nfs/dbraw/zinc/35/53/91/842355391.db2.gz SRQNPYIYAKLDFQ-HNNXBMFYSA-N 2 0 340.468 -0.188 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001336648316 842525305 /nfs/dbraw/zinc/52/53/05/842525305.db2.gz YTBXZBUSCGZOPS-UHFFFAOYSA-N 2 0 344.456 -0.963 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001336675208 842534289 /nfs/dbraw/zinc/53/42/89/842534289.db2.gz DRUBDQIWWLNWCM-AWEZNQCLSA-N 2 0 342.484 -0.083 20 0 EBADRP O=C(NCCCCCN1CC[NH2+]CC1)N1CCNCC[NH2+]CC1 ZINC001336941841 842561729 /nfs/dbraw/zinc/56/17/29/842561729.db2.gz NKWSTONZKXHDCA-UHFFFAOYSA-N 2 0 326.489 -0.734 20 0 EBADRP C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC001337309674 842600202 /nfs/dbraw/zinc/60/02/02/842600202.db2.gz JTSLLCMGTLYKDV-AWEZNQCLSA-N 2 0 338.452 -0.528 20 0 EBADRP CCN(C(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[C@@H]1CC[NH2+]C1 ZINC001337339625 842604072 /nfs/dbraw/zinc/60/40/72/842604072.db2.gz SMMVMGIYHUPQKJ-HUUCEWRRSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001337486559 842619700 /nfs/dbraw/zinc/61/97/00/842619700.db2.gz VVIMJVWGSUVHAT-RKQHYHRCSA-N 2 0 326.441 -0.546 20 0 EBADRP C[NH+](C)CCOCCNC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001338594313 842839230 /nfs/dbraw/zinc/83/92/30/842839230.db2.gz COSFRLOMRLQTAF-CYBMUJFWSA-N 2 0 342.440 -0.451 20 0 EBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC001340215210 842982468 /nfs/dbraw/zinc/98/24/68/842982468.db2.gz UMFJGXADTBBFQO-UHFFFAOYSA-N 2 0 339.484 -0.707 20 0 EBADRP [NH3+]CCN1CCC[C@H](C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)C1=O ZINC001342504860 843165718 /nfs/dbraw/zinc/16/57/18/843165718.db2.gz CHPHVULUGWNAOJ-HZSPNIEDSA-N 2 0 340.493 -0.120 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)C[C@@H](C)O1 ZINC001343371430 843229979 /nfs/dbraw/zinc/22/99/79/843229979.db2.gz KTSAFPGLABJAJP-RBSFLKMASA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH+](C)CCCCC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001345795328 843448613 /nfs/dbraw/zinc/44/86/13/843448613.db2.gz YWFWVOZSGXMJGE-CABCVRRESA-N 2 0 342.484 -0.252 20 0 EBADRP COCCCNC(=O)C1CC[NH+](CC(=O)N2CC[NH2+]CC2)CC1 ZINC001346017778 843472385 /nfs/dbraw/zinc/47/23/85/843472385.db2.gz PKVZYVPQKULOMQ-UHFFFAOYSA-N 2 0 326.441 -0.717 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC2(C)CC[NH2+]CC2)cn1 ZINC001346283283 843498754 /nfs/dbraw/zinc/49/87/54/843498754.db2.gz YYRWJUSWEKMEEN-UHFFFAOYSA-N 2 0 336.440 -0.111 20 0 EBADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NCCC[NH+]3CCC[C@H]3C(N)=O)[C@@H]2C1 ZINC001346533316 843527841 /nfs/dbraw/zinc/52/78/41/843527841.db2.gz XGGCDOFJOQTUEO-XGUBFFRZSA-N 2 0 337.468 -0.034 20 0 EBADRP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001347085325 843589890 /nfs/dbraw/zinc/58/98/90/843589890.db2.gz IOADOKPLSUTFTK-TVIZTDCDSA-N 2 0 336.436 -0.694 20 0 EBADRP C[C@@H]1C[NH+](CCO)CCN1C/C=C\CN1CC[N@@H+](CCO)C[C@@H]1C ZINC001347194016 843599845 /nfs/dbraw/zinc/59/98/45/843599845.db2.gz NWSJSXSFBNDJJQ-FEFURNDJSA-N 2 0 340.512 -0.461 20 0 EBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC001348334593 843684436 /nfs/dbraw/zinc/68/44/36/843684436.db2.gz WVXQORNOIHKSMX-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001349033610 843795863 /nfs/dbraw/zinc/79/58/63/843795863.db2.gz UVBWEDIKHIPMGN-CABCVRRESA-N 2 0 340.468 -0.471 20 0 EBADRP CC[NH+]1CCN(CCCNC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC001349078224 843810497 /nfs/dbraw/zinc/81/04/97/843810497.db2.gz YGYOWBQKKKBZHL-UHFFFAOYSA-N 2 0 337.472 -0.226 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCCS(C)(=O)=O)C[C@H]1C[NH+](C)C ZINC001349321385 843885028 /nfs/dbraw/zinc/88/50/28/843885028.db2.gz KNVPSYDSLDYXPA-ZIAGYGMSSA-N 2 0 348.513 -0.198 20 0 EBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001349890293 843946904 /nfs/dbraw/zinc/94/69/04/843946904.db2.gz QLHHSGSOESUESL-LJISPDSOSA-N 2 0 338.452 -0.747 20 0 EBADRP C[C@@H](CNC(=O)CCC[NH+](C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574918502 948851577 /nfs/dbraw/zinc/85/15/77/948851577.db2.gz LSPIYCOGSFTMEF-NSHDSACASA-N 2 0 332.412 -0.058 20 0 EBADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575272304 949642033 /nfs/dbraw/zinc/64/20/33/949642033.db2.gz ORWFYLGDHZQUNJ-GHMZBOCLSA-N 2 0 332.412 -0.060 20 0 EBADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576206585 950574507 /nfs/dbraw/zinc/57/45/07/950574507.db2.gz XZIYRGAYMNXZDN-NEPJUHHUSA-N 2 0 344.423 -0.058 20 0 EBADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576206588 950577632 /nfs/dbraw/zinc/57/76/32/950577632.db2.gz XZIYRGAYMNXZDN-VXGBXAGGSA-N 2 0 344.423 -0.058 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)N(C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001480874063 1125798985 /nfs/dbraw/zinc/79/89/85/1125798985.db2.gz RDMQPSAJFDITOI-LBPRGKRZSA-N 2 0 341.456 -0.247 20 0 EBADRP CC[N@H+](CCNC(=O)C[NH+]1CCC(C)CC1)[C@@H]1CCC(=O)NC1=O ZINC001691045103 1125814180 /nfs/dbraw/zinc/81/41/80/1125814180.db2.gz SZFPHBVPYSDZAR-CQSZACIVSA-N 2 0 338.452 -0.038 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+](CCN2C(=O)CNC2=O)C1 ZINC001691166259 1125840209 /nfs/dbraw/zinc/84/02/09/1125840209.db2.gz PPGLWYCSVFFRMC-ZDUSSCGKSA-N 2 0 339.440 -0.682 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)[NH+](C)C ZINC001691178150 1125841397 /nfs/dbraw/zinc/84/13/97/1125841397.db2.gz NVEJFKOYWNHUNE-PWNZVWSESA-N 2 0 338.452 -0.138 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CCCS(=O)(=O)N(C)C)CC[N@@H+]1C ZINC001691324512 1125851207 /nfs/dbraw/zinc/85/12/07/1125851207.db2.gz JIGUAQOYQWNZEG-ZIAGYGMSSA-N 2 0 348.513 -0.344 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001691360061 1125854140 /nfs/dbraw/zinc/85/41/40/1125854140.db2.gz MWRPNMZKDBUVFK-UHFFFAOYSA-N 2 0 339.440 -0.634 20 0 EBADRP CCN1CCO[C@H](C(=O)NCCN(C)CC(=O)N2CCCCC2)C1 ZINC001480949618 1125890010 /nfs/dbraw/zinc/89/00/10/1125890010.db2.gz LVJSNYYEVFQFQS-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP CN(CCNC(=O)C12CC[NH+](CC1)C2)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001408633928 1125896782 /nfs/dbraw/zinc/89/67/82/1125896782.db2.gz BNUQHIQGLBSHQZ-HNNXBMFYSA-N 2 0 334.464 -0.001 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1CCCN1CC(=O)NC[C@@H]1CCOC1 ZINC001481056508 1125914713 /nfs/dbraw/zinc/91/47/13/1125914713.db2.gz QKWMXZITONSKFN-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)CCNC(=O)CC[NH+](C)C)C1 ZINC001408679014 1125924916 /nfs/dbraw/zinc/92/49/16/1125924916.db2.gz PYWJUXQFKHPMDN-AWEZNQCLSA-N 2 0 328.457 -0.378 20 0 EBADRP CN(C)C(=O)C[N@@H+]1CC[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001481116026 1125924731 /nfs/dbraw/zinc/92/47/31/1125924731.db2.gz DTMRFGFGUWMNAR-CQSZACIVSA-N 2 0 340.468 -0.377 20 0 EBADRP CN(CC[NH2+]CC(=O)NC[C@@H]1CCOC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001481216362 1125945828 /nfs/dbraw/zinc/94/58/28/1125945828.db2.gz YTZWFURFALRDGP-UONOGXRCSA-N 2 0 326.441 -0.719 20 0 EBADRP CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001481246632 1125951632 /nfs/dbraw/zinc/95/16/32/1125951632.db2.gz WQCWEEPGNPAHBB-NEPJUHHUSA-N 2 0 325.413 -0.754 20 0 EBADRP CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001481246633 1125951719 /nfs/dbraw/zinc/95/17/19/1125951719.db2.gz WQCWEEPGNPAHBB-NWDGAFQWSA-N 2 0 325.413 -0.754 20 0 EBADRP CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001481246634 1125951740 /nfs/dbraw/zinc/95/17/40/1125951740.db2.gz WQCWEEPGNPAHBB-RYUDHWBXSA-N 2 0 325.413 -0.754 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001481269207 1125958719 /nfs/dbraw/zinc/95/87/19/1125958719.db2.gz CQBRHLIOWMRKRD-UONOGXRCSA-N 2 0 338.452 -0.038 20 0 EBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001496364171 1125961091 /nfs/dbraw/zinc/96/10/91/1125961091.db2.gz RGHQOFKESZDKLW-KGLIPLIRSA-N 2 0 348.513 -0.296 20 0 EBADRP C[C@@H]([NH2+]CCN(C)C(=O)COC1CC[NH+](C)CC1)C(=O)N(C)C ZINC001481299753 1125968680 /nfs/dbraw/zinc/96/86/80/1125968680.db2.gz XTMMMRJVNVKELN-CYBMUJFWSA-N 2 0 328.457 -0.378 20 0 EBADRP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)COC1CC[NH+](C)CC1 ZINC001481299355 1125968694 /nfs/dbraw/zinc/96/86/94/1125968694.db2.gz SHTJYSBEUVHJFG-AWEZNQCLSA-N 2 0 326.441 -0.624 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001481457847 1125993784 /nfs/dbraw/zinc/99/37/84/1125993784.db2.gz MQGMAJWMIGPCHA-GFCCVEGCSA-N 2 0 327.429 -0.649 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]CCNS(C)(=O)=O)C1 ZINC001671379743 1126017598 /nfs/dbraw/zinc/01/75/98/1126017598.db2.gz ZAVJAMNNNARZCY-STQMWFEESA-N 2 0 332.470 -0.932 20 0 EBADRP COCCOC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001481705212 1126042802 /nfs/dbraw/zinc/04/28/02/1126042802.db2.gz JGQOVIIBJPAWIG-CVEARBPZSA-N 2 0 343.468 -0.457 20 0 EBADRP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]CC(=O)NC(=O)NC ZINC001481814309 1126058268 /nfs/dbraw/zinc/05/82/68/1126058268.db2.gz UHZVPAKOQJGUCN-RWMBFGLXSA-N 2 0 341.456 -0.343 20 0 EBADRP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCNS(C)(=O)=O ZINC001481842907 1126060713 /nfs/dbraw/zinc/06/07/13/1126060713.db2.gz YBEJMGMLZPOCJI-OLZOCXBDSA-N 2 0 334.486 -0.496 20 0 EBADRP CC[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001481861129 1126062574 /nfs/dbraw/zinc/06/25/74/1126062574.db2.gz ITGCXZCASSZAJA-STQMWFEESA-N 2 0 341.456 -0.214 20 0 EBADRP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCOCC1 ZINC001481873528 1126063781 /nfs/dbraw/zinc/06/37/81/1126063781.db2.gz AQOQHMGLZGEXRP-UONOGXRCSA-N 2 0 326.441 -0.719 20 0 EBADRP CC[C@@H](CNC(=O)[C@H]1CN(CC)CCO1)[NH2+]CC(=O)N(C)CC ZINC001481883924 1126064309 /nfs/dbraw/zinc/06/43/09/1126064309.db2.gz VYBJETXIDQLEMZ-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001481879596 1126064593 /nfs/dbraw/zinc/06/45/93/1126064593.db2.gz VMSVMSRJVXZUHS-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H]([NH2+]C[C@](C)(NC(=O)CC[NH+](C)C)C1CC1)C(=O)NC(N)=O ZINC001481940862 1126068362 /nfs/dbraw/zinc/06/83/62/1126068362.db2.gz KQIUYSSYEGOQQQ-BONVTDFDSA-N 2 0 327.429 -0.604 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001481982488 1126070421 /nfs/dbraw/zinc/07/04/21/1126070421.db2.gz MCQGLYSCTMRMBT-ZDUSSCGKSA-N 2 0 341.456 -0.388 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482160120 1126088858 /nfs/dbraw/zinc/08/88/58/1126088858.db2.gz ZDYFXPVFVBATPS-RYUDHWBXSA-N 2 0 327.429 -0.874 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482160119 1126088938 /nfs/dbraw/zinc/08/89/38/1126088938.db2.gz ZDYFXPVFVBATPS-NWDGAFQWSA-N 2 0 327.429 -0.874 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC001482368459 1126139950 /nfs/dbraw/zinc/13/99/50/1126139950.db2.gz HASSHFNAYIICAA-GFCCVEGCSA-N 2 0 329.445 -0.391 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC001482368460 1126140020 /nfs/dbraw/zinc/14/00/20/1126140020.db2.gz HASSHFNAYIICAA-LBPRGKRZSA-N 2 0 329.445 -0.391 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC(CC[N@H+](C)CC(=O)NC(N)=O)CC1 ZINC001482506724 1126186576 /nfs/dbraw/zinc/18/65/76/1126186576.db2.gz JPEYUYQPWLNYSG-UHFFFAOYSA-N 2 0 341.456 -0.307 20 0 EBADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@H]([NH3+])CO)CC1 ZINC001648976896 1126217977 /nfs/dbraw/zinc/21/79/77/1126217977.db2.gz YCRNOCJTUPHRNV-CQSZACIVSA-N 2 0 336.436 -0.405 20 0 EBADRP Cc1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[NH+]3CCC2CC3)cn1 ZINC001482730079 1126268958 /nfs/dbraw/zinc/26/89/58/1126268958.db2.gz SLFQFGKZFBFZKJ-CVEARBPZSA-N 2 0 333.436 -0.306 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCN1CCCC1=O ZINC001482743462 1126274701 /nfs/dbraw/zinc/27/47/01/1126274701.db2.gz YWXMKVTYLBZBNN-KBPBESRZSA-N 2 0 326.441 -0.840 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C1CC1 ZINC001482798684 1126294507 /nfs/dbraw/zinc/29/45/07/1126294507.db2.gz JIQGSKREEQZONI-CABCVRRESA-N 2 0 340.468 -0.452 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001482888380 1126300567 /nfs/dbraw/zinc/30/05/67/1126300567.db2.gz KCYCDSXCFSUWKI-DGCLKSJQSA-N 2 0 329.445 -0.487 20 0 EBADRP CCN(CC[NH2+][C@H](C)C(=O)N(C)C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001482968765 1126307483 /nfs/dbraw/zinc/30/74/83/1126307483.db2.gz WXJCLNHOLYJTSN-HUUCEWRRSA-N 2 0 342.484 -0.131 20 0 EBADRP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001482968833 1126307511 /nfs/dbraw/zinc/30/75/11/1126307511.db2.gz ZEJYWRURQMMCHW-ZIAGYGMSSA-N 2 0 326.441 -0.719 20 0 EBADRP CCN(CC[NH2+]C[C@@H](O)Cn1cccn1)C(=O)C12CC[NH+](CC1)C2 ZINC001482962895 1126306448 /nfs/dbraw/zinc/30/64/48/1126306448.db2.gz CNIJUJNYMJBWFH-OAHLLOKOSA-N 2 0 335.452 -0.222 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]CCNS(C)(=O)=O)CC[N@@H+]1C ZINC001483007528 1126312059 /nfs/dbraw/zinc/31/20/59/1126312059.db2.gz AZUXOLQVDCPRNN-IJWDBEHRSA-N 2 0 332.470 -0.862 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001483014936 1126312615 /nfs/dbraw/zinc/31/26/15/1126312615.db2.gz CAFFAQXLSIOOIS-QITAHTHBSA-N 2 0 339.440 -0.294 20 0 EBADRP C[C@@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)NC(N)=O ZINC001483046036 1126320962 /nfs/dbraw/zinc/32/09/62/1126320962.db2.gz AVDDRYPOKHUITC-RVAOTSRCSA-N 2 0 325.413 -0.684 20 0 EBADRP CNC(=O)[C@@H](C)[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001691606822 1126325517 /nfs/dbraw/zinc/32/55/17/1126325517.db2.gz UFBKJNHJASELNY-ZIAGYGMSSA-N 2 0 328.457 -0.521 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CC[NH2+]CCN1C(=O)CNC1=O ZINC001691619173 1126326202 /nfs/dbraw/zinc/32/62/02/1126326202.db2.gz FFTLBVORBWHTPR-BETUJISGSA-N 2 0 339.440 -0.541 20 0 EBADRP C[C@H](C[NH2+]CCN1C(=O)CNC1=O)NC(=O)CC[NH+]1CCCCC1 ZINC001483198104 1126352522 /nfs/dbraw/zinc/35/25/22/1126352522.db2.gz WWIZSQPQHZINND-CYBMUJFWSA-N 2 0 339.440 -0.492 20 0 EBADRP C[C@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001483194699 1126352596 /nfs/dbraw/zinc/35/25/96/1126352596.db2.gz JGLTYSJUTGEYSZ-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H](C[NH2+][C@H](C)C(=O)NC(N)=O)NC(=O)CCC[NH+]1CCCCC1 ZINC001483196457 1126352857 /nfs/dbraw/zinc/35/28/57/1126352857.db2.gz IVTLKIUWCACMPA-CHWSQXEVSA-N 2 0 341.456 -0.070 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001483234529 1126369091 /nfs/dbraw/zinc/36/90/91/1126369091.db2.gz SMWBRVAHFGWJDM-NWDGAFQWSA-N 2 0 341.456 -0.201 20 0 EBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001409630435 1126385872 /nfs/dbraw/zinc/38/58/72/1126385872.db2.gz QNIYXJZJMBWUCF-KBPBESRZSA-N 2 0 348.513 -0.344 20 0 EBADRP C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001483266348 1126412095 /nfs/dbraw/zinc/41/20/95/1126412095.db2.gz INJCQXGNKFIRLO-OLZOCXBDSA-N 2 0 334.486 -0.686 20 0 EBADRP C[C@H](C[N@H+](C)CCN1CCCC1=O)NC(=O)CCN1CCOCC1 ZINC001483397736 1126423957 /nfs/dbraw/zinc/42/39/57/1126423957.db2.gz VBAIEDWOFGFUST-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP CCCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001483458198 1126428788 /nfs/dbraw/zinc/42/87/88/1126428788.db2.gz YUDBLWGQDDOIQM-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP CN(CCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C(=O)C12CC[NH+](CC1)C2 ZINC001483504537 1126431749 /nfs/dbraw/zinc/43/17/49/1126431749.db2.gz VCJODBIYXRTBTG-AWEZNQCLSA-N 2 0 343.493 -0.045 20 0 EBADRP C[C@@H]([NH2+]C[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C1CC1)C(N)=O ZINC001483570090 1126435992 /nfs/dbraw/zinc/43/59/92/1126435992.db2.gz GWQDWJVGKCXEGF-OCCSQVGLSA-N 2 0 340.468 -0.297 20 0 EBADRP O=C(N[C@@H](C[NH2+]CCN1C(=O)CNC1=O)C1CC1)C12CC[NH+](CC1)C2 ZINC001483603018 1126439108 /nfs/dbraw/zinc/43/91/08/1126439108.db2.gz XRQFHDVXUMVFKP-ZDUSSCGKSA-N 2 0 349.435 -0.882 20 0 EBADRP COCC[N@H+](CC(N)=O)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001483818734 1126479048 /nfs/dbraw/zinc/47/90/48/1126479048.db2.gz UUPBYIOPVWHNBQ-AWEZNQCLSA-N 2 0 326.441 -0.495 20 0 EBADRP Cn1nnnc1CN1CC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001483844901 1126481452 /nfs/dbraw/zinc/48/14/52/1126481452.db2.gz CQMHZGKFPVDRMA-MRXNPFEDSA-N 2 0 335.456 -0.024 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001483942528 1126491630 /nfs/dbraw/zinc/49/16/30/1126491630.db2.gz JYRLNVGIURKMJW-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP CNC(=O)C[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCOCC1 ZINC001484183455 1126513420 /nfs/dbraw/zinc/51/34/20/1126513420.db2.gz HSYKSERDGLDAOK-UHFFFAOYSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001484223585 1126526166 /nfs/dbraw/zinc/52/61/66/1126526166.db2.gz HVJKZZYYJRXVSN-PBHICJAKSA-N 2 0 343.468 -0.721 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001484234310 1126534025 /nfs/dbraw/zinc/53/40/25/1126534025.db2.gz BEAWIVFJKJDINA-WMLDXEAASA-N 2 0 345.484 -0.475 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@]1(O)CC[NH+]([C@H]2CCCN(C)C2=O)C1 ZINC001484249512 1126543434 /nfs/dbraw/zinc/54/34/34/1126543434.db2.gz XEPZVHHAZRVELM-YOEHRIQHSA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001484378595 1126566442 /nfs/dbraw/zinc/56/64/42/1126566442.db2.gz YWTXMHLHOOJHNY-QWHCGFSZSA-N 2 0 339.440 -0.826 20 0 EBADRP C[C@@H]([NH2+]C1CCN(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1)C(N)=O ZINC001484420893 1126574589 /nfs/dbraw/zinc/57/45/89/1126574589.db2.gz RVKKSSJUZNDSGU-UKRRQHHQSA-N 2 0 339.484 -0.485 20 0 EBADRP O=C(NCCN1CCC([NH2+]CCCO)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001484419602 1126572066 /nfs/dbraw/zinc/57/20/66/1126572066.db2.gz YXYJFSLOZLRLOP-KRWDZBQOSA-N 2 0 338.496 -0.119 20 0 EBADRP O=C(N[C@]1(CO)CCC[N@H+](CCn2cncn2)C1)C12CC[NH+](CC1)C2 ZINC001484448199 1126585729 /nfs/dbraw/zinc/58/57/29/1126585729.db2.gz SRYCWZFEGRVYRD-QGZVFWFLSA-N 2 0 348.451 -0.683 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001484682826 1126620752 /nfs/dbraw/zinc/62/07/52/1126620752.db2.gz VVEPOHRUCFNBBF-UONOGXRCSA-N 2 0 326.441 -0.591 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCCNC3=O)C2)CC1 ZINC001484686131 1126621672 /nfs/dbraw/zinc/62/16/72/1126621672.db2.gz PENBUHPDGCWQLR-KGLIPLIRSA-N 2 0 338.452 -0.576 20 0 EBADRP CC(C)[C@H](C(=O)N1CCO[C@H](C[NH2+]CC(=O)NC2CC2)C1)[NH+](C)C ZINC001484687150 1126621868 /nfs/dbraw/zinc/62/18/68/1126621868.db2.gz FQAYHAMJUWVEHK-GDBMZVCRSA-N 2 0 340.468 -0.332 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1 ZINC001484699362 1126622481 /nfs/dbraw/zinc/62/24/81/1126622481.db2.gz OQNHSGKBJNCWFK-OAHLLOKOSA-N 2 0 340.468 -0.185 20 0 EBADRP CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)CCCC[NH+](C)C)CCO2)C1=O ZINC001484695205 1126624424 /nfs/dbraw/zinc/62/44/24/1126624424.db2.gz ABZBOQKNSZGRDN-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001484697855 1126624888 /nfs/dbraw/zinc/62/48/88/1126624888.db2.gz YJSLSBMZHJMQOY-KBPBESRZSA-N 2 0 328.457 -0.378 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001484745516 1126628399 /nfs/dbraw/zinc/62/83/99/1126628399.db2.gz IMJGQPKTAXWRCZ-GFCCVEGCSA-N 2 0 341.456 -0.166 20 0 EBADRP CC[N@H+](C)CCC(=O)NC1(C[NH2+][C@H]2CCCNC2=O)CCOCC1 ZINC001484870440 1126647524 /nfs/dbraw/zinc/64/75/24/1126647524.db2.gz CYKIPXNXYBDWRO-AWEZNQCLSA-N 2 0 340.468 -0.138 20 0 EBADRP Cn1cnnc1C[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001484872212 1126647793 /nfs/dbraw/zinc/64/77/93/1126647793.db2.gz WERNKYOXHUFDGR-CYBMUJFWSA-N 2 0 336.440 -0.478 20 0 EBADRP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001484903992 1126651767 /nfs/dbraw/zinc/65/17/67/1126651767.db2.gz OTAAYXZPNOVCAB-STQMWFEESA-N 2 0 339.440 -0.650 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CC1(O)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001484954862 1126658339 /nfs/dbraw/zinc/65/83/39/1126658339.db2.gz VWDRFXCWJISJCE-ZDUSSCGKSA-N 2 0 340.468 -0.452 20 0 EBADRP C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCNS(C)(=O)=O ZINC001484982803 1126660717 /nfs/dbraw/zinc/66/07/17/1126660717.db2.gz NKTPUJKDMOIEHS-OLZOCXBDSA-N 2 0 334.486 -0.544 20 0 EBADRP C[NH+](C)CCC(=O)NC1(CO)CC[NH+](CCN2CCCC2=O)CC1 ZINC001485023489 1126668363 /nfs/dbraw/zinc/66/83/63/1126668363.db2.gz ADXBFAMTJAGURC-UHFFFAOYSA-N 2 0 340.468 -0.496 20 0 EBADRP CN(CC[NH2+]CC(=O)NC[C@H]1CCOC1)C(=O)C1([NH+](C)C)CCC1 ZINC001493574183 1126702453 /nfs/dbraw/zinc/70/24/53/1126702453.db2.gz DAEMQQMHSRFOCC-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC001485537198 1126743538 /nfs/dbraw/zinc/74/35/38/1126743538.db2.gz HSTUEVXSPWNEPH-GFCCVEGCSA-N 2 0 337.424 -0.930 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001485629144 1126772401 /nfs/dbraw/zinc/77/24/01/1126772401.db2.gz XMOXOBBGLZIFJI-QKDCVEJESA-N 2 0 348.447 -0.475 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]Cc2cnnn2C)C1 ZINC001485650605 1126778393 /nfs/dbraw/zinc/77/83/93/1126778393.db2.gz XRVSPWMYYHBIQB-HIFRSBDPSA-N 2 0 338.456 -0.138 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCCOCC[NH+](C)[C@H]2CCCNC2=O)C1 ZINC001485775632 1126836241 /nfs/dbraw/zinc/83/62/41/1126836241.db2.gz BUXUEECNHPSIQT-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CS(=O)(=O)C4)CC[C@@H]21 ZINC001649048072 1126864930 /nfs/dbraw/zinc/86/49/30/1126864930.db2.gz LOKQMAOHJKJJDG-OSFYFWSMSA-N 2 0 327.450 -0.827 20 0 EBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)[C@H]1[NH2+]CC13CCOCC3)C2 ZINC001649062208 1126866976 /nfs/dbraw/zinc/86/69/76/1126866976.db2.gz KNDXPDDDEWHLJM-ZBYUQBLASA-N 2 0 337.420 -0.506 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001280470893 1126889080 /nfs/dbraw/zinc/88/90/80/1126889080.db2.gz GYEWDWGCJYONEW-ZDUSSCGKSA-N 2 0 346.497 -0.352 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001485908187 1126912632 /nfs/dbraw/zinc/91/26/32/1126912632.db2.gz MSYAHSAIDLSLEZ-GFCCVEGCSA-N 2 0 341.456 -0.247 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]C[C@@H]1COc2ccccc2O1 ZINC001486031142 1127001675 /nfs/dbraw/zinc/00/16/75/1127001675.db2.gz OWCBISHGMDVYQC-ZIAGYGMSSA-N 2 0 337.420 -0.155 20 0 EBADRP CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001486034654 1127005035 /nfs/dbraw/zinc/00/50/35/1127005035.db2.gz SPALWOPWVIDEIR-LRDDRELGSA-N 2 0 346.447 -0.646 20 0 EBADRP NC(=O)c1cccc(C[NH2+][C@H](CO)CNC(=O)C[NH+]2CCCC2)c1 ZINC001486061403 1127011159 /nfs/dbraw/zinc/01/11/59/1127011159.db2.gz MOIZFPWVQALROL-HNNXBMFYSA-N 2 0 334.420 -0.552 20 0 EBADRP CCN(C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001486062885 1127012669 /nfs/dbraw/zinc/01/26/69/1127012669.db2.gz ZZVOGCKFXWEERW-CHWSQXEVSA-N 2 0 326.441 -0.984 20 0 EBADRP CCN(C(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001486062894 1127013238 /nfs/dbraw/zinc/01/32/38/1127013238.db2.gz ZZVOGCKFXWEERW-STQMWFEESA-N 2 0 326.441 -0.984 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001486133364 1127044303 /nfs/dbraw/zinc/04/43/03/1127044303.db2.gz BJXVPNDPNLUHDT-QWHCGFSZSA-N 2 0 341.456 -0.249 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(=O)NC(=O)NC)C1 ZINC001486219187 1127063733 /nfs/dbraw/zinc/06/37/33/1127063733.db2.gz RNFQUNDKNGYFQR-STQMWFEESA-N 2 0 341.456 -0.342 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CC(=O)NCC1CC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001486284871 1127082192 /nfs/dbraw/zinc/08/21/92/1127082192.db2.gz LGFDGOJJKDCCRT-LSDHHAIUSA-N 2 0 340.468 -0.594 20 0 EBADRP CN(C[C@@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1)C(=O)CC[NH+](C)C ZINC001486298434 1127105672 /nfs/dbraw/zinc/10/56/72/1127105672.db2.gz OXUVASIELIQRPV-KBPBESRZSA-N 2 0 328.457 -0.737 20 0 EBADRP CC[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001486355989 1127149819 /nfs/dbraw/zinc/14/98/19/1127149819.db2.gz LHWIVYSKOQGRFP-CHWSQXEVSA-N 2 0 326.441 -0.903 20 0 EBADRP CN(C[C@H]1CCCN1C(=O)CC[NH+](C)C)C(=O)[C@@H]1CN(C)CCO1 ZINC001486569939 1127208493 /nfs/dbraw/zinc/20/84/93/1127208493.db2.gz KJZAHNXMDIRQGQ-CABCVRRESA-N 2 0 340.468 -0.282 20 0 EBADRP CC[C@H](C(=O)NCC1([NH2+]CCN2C(=O)CNC2=O)CCC1)[NH+](C)C ZINC001280488024 1127274239 /nfs/dbraw/zinc/27/42/39/1127274239.db2.gz LHTOOZKTHKENKA-GFCCVEGCSA-N 2 0 339.440 -0.493 20 0 EBADRP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC001410144189 1127607270 /nfs/dbraw/zinc/60/72/70/1127607270.db2.gz KBXZIDGYIUGLSK-KGLIPLIRSA-N 2 0 326.441 -0.591 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@@H](C)NC(=O)[C@@H]1CN(C)CCO1)[NH+](C)C ZINC001410178431 1127631481 /nfs/dbraw/zinc/63/14/81/1127631481.db2.gz ZKQDXVYYMUNIEE-RDBSUJKOSA-N 2 0 328.457 -0.476 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001410227600 1127649375 /nfs/dbraw/zinc/64/93/75/1127649375.db2.gz ZTEZKRQUVBKQRZ-MQMHXKEQSA-N 2 0 336.440 -0.711 20 0 EBADRP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001410389372 1127697894 /nfs/dbraw/zinc/69/78/94/1127697894.db2.gz GUKTVLDQFSCVMI-CYBMUJFWSA-N 2 0 328.457 -0.473 20 0 EBADRP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001410389382 1127697934 /nfs/dbraw/zinc/69/79/34/1127697934.db2.gz GUKTVLDQFSCVMI-ZDUSSCGKSA-N 2 0 328.457 -0.473 20 0 EBADRP CNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001410392581 1127699460 /nfs/dbraw/zinc/69/94/60/1127699460.db2.gz ZSXCJAFGBRUHPC-OLZOCXBDSA-N 2 0 338.456 -0.371 20 0 EBADRP C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001410496161 1127729223 /nfs/dbraw/zinc/72/92/23/1127729223.db2.gz CNNLMLLIFRGGRI-STQMWFEESA-N 2 0 341.456 -0.118 20 0 EBADRP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N1CCOCC1 ZINC001410505201 1127730737 /nfs/dbraw/zinc/73/07/37/1127730737.db2.gz NFUAQJJMKSRPKI-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(N)=O)[NH+]1CCCC1 ZINC001410512606 1127731952 /nfs/dbraw/zinc/73/19/52/1127731952.db2.gz OCLKPQCFNDBEDN-GXTWGEPZSA-N 2 0 341.456 -0.262 20 0 EBADRP CNC(=O)c1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001410586105 1127759913 /nfs/dbraw/zinc/75/99/13/1127759913.db2.gz LOZQMTYRSNUMRA-HOTGVXAUSA-N 2 0 348.447 -0.293 20 0 EBADRP CC(C)CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001410665777 1127801275 /nfs/dbraw/zinc/80/12/75/1127801275.db2.gz ZERVUKDTJFUAAN-HUUCEWRRSA-N 2 0 340.468 -0.833 20 0 EBADRP Cn1nccc1CC[NH2+][C@H](CO)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001410709034 1127831724 /nfs/dbraw/zinc/83/17/24/1127831724.db2.gz QSLWKLAEQIAXCZ-AWEZNQCLSA-N 2 0 337.468 -0.096 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001410748030 1127859879 /nfs/dbraw/zinc/85/98/79/1127859879.db2.gz DZOYQBSSXILIQJ-STQMWFEESA-N 2 0 328.457 -0.690 20 0 EBADRP CC[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCCCCC1)[NH+](C)C ZINC001410760303 1127866769 /nfs/dbraw/zinc/86/67/69/1127866769.db2.gz YMVUUAFSEHFOMQ-HUUCEWRRSA-N 2 0 342.484 -0.204 20 0 EBADRP C[C@H]1[C@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001410827265 1127908869 /nfs/dbraw/zinc/90/88/69/1127908869.db2.gz YQQNSXXJMJIRNO-CMPLNLGQSA-N 2 0 325.413 -0.755 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC(N(C)C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001410867677 1127922631 /nfs/dbraw/zinc/92/26/31/1127922631.db2.gz RUGMWSBZIHAZNN-HNNXBMFYSA-N 2 0 340.468 -0.282 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001410978501 1127958127 /nfs/dbraw/zinc/95/81/27/1127958127.db2.gz ZKEYJECHHKDPHW-CHWSQXEVSA-N 2 0 338.456 -0.175 20 0 EBADRP CN(C[C@@H](O)C[N@H+](C)[C@@H]1CCNC1=O)C(=O)CC[NH+]1CCCCC1 ZINC001411187434 1128085348 /nfs/dbraw/zinc/08/53/48/1128085348.db2.gz LVKNXPQJOSTADL-LSDHHAIUSA-N 2 0 340.468 -0.498 20 0 EBADRP CN(CCNS(C)(=O)=O)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001438927902 1128094947 /nfs/dbraw/zinc/09/49/47/1128094947.db2.gz LQMAFGULRVHATE-UHFFFAOYSA-N 2 0 332.470 -0.978 20 0 EBADRP C[NH2+]CCN(CCNC(=O)C[C@H]1CCC[NH2+]1)C(=O)C[C@H]1CCC[NH2+]1 ZINC001649143560 1128135334 /nfs/dbraw/zinc/13/53/34/1128135334.db2.gz SEYLZYUTRGNKQU-HUUCEWRRSA-N 3 0 339.484 -0.565 20 0 EBADRP C[C@@H]1C[N@H+](CCCO)C[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001092838932 1128278745 /nfs/dbraw/zinc/27/87/45/1128278745.db2.gz YZMRUWAMTXKIHI-MYPHYYIGSA-N 2 0 337.464 -0.084 20 0 EBADRP O=C(C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)Nc1cnccn1 ZINC001187835191 1128356047 /nfs/dbraw/zinc/35/60/47/1128356047.db2.gz QVANOCCQVNILGD-CYBMUJFWSA-N 2 0 332.408 -0.299 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)C[NH+]1CCCC1 ZINC001487994525 1128530895 /nfs/dbraw/zinc/53/08/95/1128530895.db2.gz FCCNUABWXYVBHQ-HUUCEWRRSA-N 2 0 340.468 -0.452 20 0 EBADRP C[NH+](C)C1(C(=O)N[C@@H](CO)CNC(=O)C2CC[NH+](C)CC2)CCC1 ZINC001488029991 1128571177 /nfs/dbraw/zinc/57/11/77/1128571177.db2.gz NWFDPJMEKLRRJZ-CQSZACIVSA-N 2 0 340.468 -0.594 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001488760422 1128839096 /nfs/dbraw/zinc/83/90/96/1128839096.db2.gz HJGXMPOJTFWVEI-FRRDWIJNSA-N 2 0 332.470 -0.886 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001488878620 1128881522 /nfs/dbraw/zinc/88/15/22/1128881522.db2.gz KZYGASRSIZNIDH-JOCQHMNTSA-N 2 0 337.424 -0.882 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H]1CCN(CCN(C)S(C)(=O)=O)[C@@H]1C ZINC001489300602 1128946728 /nfs/dbraw/zinc/94/67/28/1128946728.db2.gz LONCHUPSLRFMKK-KGLIPLIRSA-N 2 0 348.513 -0.201 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)CC(=O)NC(N)=O ZINC001490204567 1129125827 /nfs/dbraw/zinc/12/58/27/1129125827.db2.gz MHQFBXHQOCIZHM-GFCCVEGCSA-N 2 0 327.429 -0.506 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH+](CC(=O)NC(N)=O)C2CC2)C1 ZINC001490390024 1129170969 /nfs/dbraw/zinc/17/09/69/1129170969.db2.gz JFTUXAYCRBOZTR-GFCCVEGCSA-N 2 0 339.440 -0.506 20 0 EBADRP Cc1nnc(CN2CC[NH+](CCCNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC001490476659 1129185714 /nfs/dbraw/zinc/18/57/14/1129185714.db2.gz JDNHXOXQHMSKGI-HNNXBMFYSA-N 2 0 349.483 -0.311 20 0 EBADRP O=C(NC[C@H]([NH2+][C@@H]1CCC(=O)NC1=O)C1CC1)C12CCC[NH+]1CCC2 ZINC001490681749 1129240264 /nfs/dbraw/zinc/24/02/64/1129240264.db2.gz RPAFRWNHTULMHP-KGLIPLIRSA-N 2 0 348.447 -0.096 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]CCCS(C)(=O)=O)C2CC2)C1 ZINC001490739025 1129251515 /nfs/dbraw/zinc/25/15/15/1129251515.db2.gz CZWJDRUUIXZFCM-KBPBESRZSA-N 2 0 331.482 -0.143 20 0 EBADRP CN(C)S(=O)(=O)CCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022641 1129265154 /nfs/dbraw/zinc/26/51/54/1129265154.db2.gz VZNUPHGNBOZSAG-ZIAGYGMSSA-N 2 0 348.513 -0.534 20 0 EBADRP CCN1CCOC[C@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021189 1129265224 /nfs/dbraw/zinc/26/52/24/1129265224.db2.gz BXYVWCHHNZDCEY-OAGGEKHMSA-N 2 0 326.485 -0.095 20 0 EBADRP CC[NH+](CC)CC(=O)NC1(CCO)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001411757450 1129369925 /nfs/dbraw/zinc/36/99/25/1129369925.db2.gz FDHUVJHHGILXMS-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001412087305 1129444303 /nfs/dbraw/zinc/44/43/03/1129444303.db2.gz DKWKLXGFRASZNS-JONQDZQNSA-N 2 0 334.464 -0.003 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@H]1C[NH+](C)C ZINC001412444805 1129530183 /nfs/dbraw/zinc/53/01/83/1129530183.db2.gz CIEZHBJJJVMCKC-ZIAGYGMSSA-N 2 0 331.482 -0.381 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001412859364 1129738316 /nfs/dbraw/zinc/73/83/16/1129738316.db2.gz KLMRJLDAVQMWSN-LSDHHAIUSA-N 2 0 340.468 -0.450 20 0 EBADRP CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC001412999277 1129849874 /nfs/dbraw/zinc/84/98/74/1129849874.db2.gz VHHRJVHISFXQQK-IHRRRGAJSA-N 2 0 328.457 -0.596 20 0 EBADRP CN(C[C@H](O)CNC(=O)CC[NH+](C)C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001413284549 1129989541 /nfs/dbraw/zinc/98/95/41/1129989541.db2.gz DEXPNKGEJNCHGP-CQSZACIVSA-N 2 0 342.484 -0.252 20 0 EBADRP O=C(N1C[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]2C1)[C@@]12CC[NH+](C1)CCC2 ZINC001049191839 1130121070 /nfs/dbraw/zinc/12/10/70/1130121070.db2.gz JYPXNWAWSLLNIO-KRXQYRFLSA-N 2 0 332.448 -0.249 20 0 EBADRP C[C@@H](CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[NH+](C)C ZINC001413728280 1130244842 /nfs/dbraw/zinc/24/48/42/1130244842.db2.gz JRGOCMNCQZPBSE-GJZGRUSLSA-N 2 0 327.473 -0.358 20 0 EBADRP CN1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)Nc3ccon3)C2)C1 ZINC001491005317 1130285330 /nfs/dbraw/zinc/28/53/30/1130285330.db2.gz VTKKRDBKYOSUJN-TUAOUCFPSA-N 2 0 337.380 -0.820 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001491023889 1130294768 /nfs/dbraw/zinc/29/47/68/1130294768.db2.gz WCHNWFVVPYXYQJ-YVECIDJPSA-N 2 0 342.415 -0.292 20 0 EBADRP Cc1cc(NC(=O)C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n(C)n1 ZINC001491079089 1130313844 /nfs/dbraw/zinc/31/38/44/1130313844.db2.gz GTTYHBINBAUYAM-MCIONIFRSA-N 2 0 348.451 -0.144 20 0 EBADRP NC(=O)NC(=O)C[NH2+]C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001491180752 1130351610 /nfs/dbraw/zinc/35/16/10/1130351610.db2.gz VNOONPLVOIPTAM-GFCCVEGCSA-N 2 0 337.424 -0.895 20 0 EBADRP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]C[C@H](O)Cn1cccn1 ZINC001491513029 1130478506 /nfs/dbraw/zinc/47/85/06/1130478506.db2.gz JZUMPQZMQMCISV-CABCVRRESA-N 2 0 335.452 -0.033 20 0 EBADRP Brc1cnc(CN2CC[NH2+]CCNCC[NH2+]CC2)cn1 ZINC001235876227 1130531406 /nfs/dbraw/zinc/53/14/06/1130531406.db2.gz XNODPEMDCYHKBG-UHFFFAOYSA-N 2 0 343.273 -0.177 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001480122800 1130759623 /nfs/dbraw/zinc/75/96/23/1130759623.db2.gz VQISVBGITFSRIM-CABCVRRESA-N 2 0 326.441 -0.719 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001416736362 1130778772 /nfs/dbraw/zinc/77/87/72/1130778772.db2.gz AHVBKRNHDGNEFK-IUODEOHRSA-N 2 0 349.435 -0.551 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2CNC(=O)C2)C[C@H]1C[NH+](C)C ZINC001413863033 1130826312 /nfs/dbraw/zinc/82/63/12/1130826312.db2.gz YJECSFQEZYWNQT-BFHYXJOUSA-N 2 0 325.457 -0.497 20 0 EBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CC[NH2+]CCC23CCOCC3)C1=O ZINC001356535716 1130879502 /nfs/dbraw/zinc/87/95/02/1130879502.db2.gz VTBPNXQVABCZOF-CQSZACIVSA-N 2 0 338.452 -0.445 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCC(=O)NCc2ccccn2)CC1 ZINC001357127365 1131054138 /nfs/dbraw/zinc/05/41/38/1131054138.db2.gz UKFZHTKGVUVKOK-MRXNPFEDSA-N 2 0 335.452 -0.714 20 0 EBADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CCNCC[NH2+]CC1 ZINC001357167204 1131055893 /nfs/dbraw/zinc/05/58/93/1131055893.db2.gz UBDPUONYJWMYGF-OAHLLOKOSA-N 2 0 339.484 -0.308 20 0 EBADRP COC1CC[NH+](CCNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001357428916 1131087363 /nfs/dbraw/zinc/08/73/63/1131087363.db2.gz SXIRMWYOWNQCSA-CQSZACIVSA-N 2 0 326.441 -0.589 20 0 EBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001357502710 1131096956 /nfs/dbraw/zinc/09/69/56/1131096956.db2.gz FBVUIIAKWZKNLU-OAHLLOKOSA-N 2 0 339.484 -0.720 20 0 EBADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NC[C@@H]2C[NH+](C)CCN2C)cn1 ZINC001361963676 1131489631 /nfs/dbraw/zinc/48/96/31/1131489631.db2.gz VBFQYHOUJWSXTP-IKGGRYGDSA-N 2 0 348.495 -0.183 20 0 EBADRP C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001363239954 1131844693 /nfs/dbraw/zinc/84/46/93/1131844693.db2.gz DCCBATVUHJHWLR-BFHYXJOUSA-N 2 0 333.498 -0.135 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1C[NH+](C)C ZINC001363513241 1131984435 /nfs/dbraw/zinc/98/44/35/1131984435.db2.gz NSLZYNUCLAGQBP-CHWSQXEVSA-N 2 0 337.424 -0.853 20 0 EBADRP Cc1c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nnn1-c1cnn(C)c1 ZINC001364051875 1132185058 /nfs/dbraw/zinc/18/50/58/1132185058.db2.gz ZVFQNZHXYKGOPN-UHFFFAOYSA-N 2 0 348.455 -0.125 20 0 EBADRP COCC[N@H+](CCC(=O)NCC(=O)OC)CC1CC[NH+](C)CC1 ZINC001364468754 1132327025 /nfs/dbraw/zinc/32/70/25/1132327025.db2.gz BKPNZAAPNVFTPH-UHFFFAOYSA-N 2 0 329.441 -0.044 20 0 EBADRP C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]Cc1nnnn1C ZINC001364647604 1132384420 /nfs/dbraw/zinc/38/44/20/1132384420.db2.gz ZRSFSNDLTXKHEU-KBPBESRZSA-N 2 0 335.456 -0.120 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC[C@@H]2CNC(=O)C2)C[C@H]1C[NH+](C)C ZINC001365429573 1132668511 /nfs/dbraw/zinc/66/85/11/1132668511.db2.gz JQRBYNKGJWWZSM-RRFJBIMHSA-N 2 0 339.484 -0.107 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001365817461 1132816539 /nfs/dbraw/zinc/81/65/39/1132816539.db2.gz OYLNHDNXDMUBHR-MJBXVCDLSA-N 2 0 331.482 0.000 20 0 EBADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+][C@@H](CC)C(N)=O ZINC001365859779 1132836473 /nfs/dbraw/zinc/83/64/73/1132836473.db2.gz IMUZZTGJYADKEL-QLFBSQMISA-N 2 0 340.468 -0.201 20 0 EBADRP CCO[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NC ZINC001365863663 1132840526 /nfs/dbraw/zinc/84/05/26/1132840526.db2.gz RQQUYIAMZDFYBH-HZSPNIEDSA-N 2 0 328.457 -0.474 20 0 EBADRP COC[C@@H](O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001365876050 1132852631 /nfs/dbraw/zinc/85/26/31/1132852631.db2.gz OKVAZTGLFOXTMY-CVEARBPZSA-N 2 0 343.468 -0.625 20 0 EBADRP CC[C@H](C(=O)N1CCCCC[C@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001365882626 1132860924 /nfs/dbraw/zinc/86/09/24/1132860924.db2.gz FYTFHQJEIMJQQV-QWHCGFSZSA-N 2 0 341.456 -0.118 20 0 EBADRP CNC(=O)[C@H](C)N1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001365997200 1132956459 /nfs/dbraw/zinc/95/64/59/1132956459.db2.gz QNTVFRVXMGRNRQ-QWHCGFSZSA-N 2 0 326.441 -0.578 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC23CC[NH+](CC(=O)NC(N)=O)CC3)C1 ZINC001366015006 1132969475 /nfs/dbraw/zinc/96/94/75/1132969475.db2.gz OYBGVGZQFZUXHN-VXGBXAGGSA-N 2 0 337.424 -0.896 20 0 EBADRP CC[C@@H](C(=O)NC[C@@H]([NH2+]CC(=O)N1CCOCC1)C1CC1)[NH+](C)C ZINC001366061143 1132986051 /nfs/dbraw/zinc/98/60/51/1132986051.db2.gz LGOPKQWYNYNSDJ-CABCVRRESA-N 2 0 340.468 -0.330 20 0 EBADRP CN(CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1)S(C)(=O)=O ZINC001366090905 1132998016 /nfs/dbraw/zinc/99/80/16/1132998016.db2.gz FPSXFBFGHCQTIY-ZDUSSCGKSA-N 2 0 346.497 -0.447 20 0 EBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001366167495 1133035940 /nfs/dbraw/zinc/03/59/40/1133035940.db2.gz XDWQJSDCSSJVMA-KBXIAJHMSA-N 2 0 329.441 -0.801 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001366166912 1133036299 /nfs/dbraw/zinc/03/62/99/1133036299.db2.gz VRFYHFADDNJLRK-MELADBBJSA-N 2 0 347.481 -0.764 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001366199256 1133053060 /nfs/dbraw/zinc/05/30/60/1133053060.db2.gz GCFXOOHAEOLFIA-CYBMUJFWSA-N 2 0 341.456 -0.259 20 0 EBADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001366287347 1133085062 /nfs/dbraw/zinc/08/50/62/1133085062.db2.gz NUJFUOYWCJEBAM-ZIAGYGMSSA-N 2 0 340.468 -0.140 20 0 EBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001366361389 1133110798 /nfs/dbraw/zinc/11/07/98/1133110798.db2.gz XIGAFKLMTUKXGI-KBPBESRZSA-N 2 0 326.441 -0.840 20 0 EBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)Nc1nncs1 ZINC001366359627 1133110844 /nfs/dbraw/zinc/11/08/44/1133110844.db2.gz RWMADZOCBFJAIR-VHSXEESVSA-N 2 0 326.426 -0.477 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001366375739 1133117469 /nfs/dbraw/zinc/11/74/69/1133117469.db2.gz AKOICZJVZVVFGP-LSDHHAIUSA-N 2 0 338.452 -0.434 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1)[NH+](CC)CC ZINC001366403181 1133131922 /nfs/dbraw/zinc/13/19/22/1133131922.db2.gz BTBVAYSWWZSBQH-QWHCGFSZSA-N 2 0 341.456 -0.260 20 0 EBADRP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001366450050 1133147278 /nfs/dbraw/zinc/14/72/78/1133147278.db2.gz JMUMDLBMXQPAJE-AAEUAGOBSA-N 2 0 339.440 -0.447 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001366469934 1133151982 /nfs/dbraw/zinc/15/19/82/1133151982.db2.gz CUYDQVLARRVQEH-LBPRGKRZSA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@@H](CCNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CC(=O)N(C)C ZINC001366512487 1133163118 /nfs/dbraw/zinc/16/31/18/1133163118.db2.gz WMDNSIUDQLIPKF-KBPBESRZSA-N 2 0 328.457 -0.473 20 0 EBADRP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nnc2n1CCOC2 ZINC001366513462 1133163441 /nfs/dbraw/zinc/16/34/41/1133163441.db2.gz ZMQPQRAEVGVYDW-CHWSQXEVSA-N 2 0 336.440 -0.256 20 0 EBADRP CN(CCNC(=O)[C@@H]1CCCC[N@@H+]1C)CC(=O)NC[C@@H]1CCCO1 ZINC001366541667 1133176913 /nfs/dbraw/zinc/17/69/13/1133176913.db2.gz WRHFFPATOTXBQR-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[C@@H](C(=O)NCC[N@H+](C)C[C@H]1CCN(S(C)(=O)=O)C1)[NH+](C)C ZINC001366583498 1133196974 /nfs/dbraw/zinc/19/69/74/1133196974.db2.gz LZGCLJQYEFSCQK-KGLIPLIRSA-N 2 0 348.513 -0.344 20 0 EBADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001366703988 1133262756 /nfs/dbraw/zinc/26/27/56/1133262756.db2.gz DITOPHYYTMJMCX-UKRRQHHQSA-N 2 0 340.468 -0.201 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[C@H]1CC[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001366852586 1133320766 /nfs/dbraw/zinc/32/07/66/1133320766.db2.gz MHVUUGHGDBZESV-STQMWFEESA-N 2 0 341.456 -0.260 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC(C[N@H+](C)CCNS(C)(=O)=O)CC1 ZINC001366883304 1133341470 /nfs/dbraw/zinc/34/14/70/1133341470.db2.gz MBEBIKVXAAJBKL-UHFFFAOYSA-N 2 0 348.513 -0.342 20 0 EBADRP CC(C)[C@@H](C(=O)NCC1C[NH+](C[C@@H](O)Cn2cccn2)C1)[NH+](C)C ZINC001366983348 1133402424 /nfs/dbraw/zinc/40/24/24/1133402424.db2.gz AVWVOMSTQXXTKT-CVEARBPZSA-N 2 0 337.468 -0.122 20 0 EBADRP COC[C@H](O)C[NH+]1CC(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001366984757 1133403401 /nfs/dbraw/zinc/40/34/01/1133403401.db2.gz YTPZNKCOZFOLRW-CQSZACIVSA-N 2 0 329.441 -0.848 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001367164588 1133491429 /nfs/dbraw/zinc/49/14/29/1133491429.db2.gz ILDNRDMHNRYJRS-LBPRGKRZSA-N 2 0 339.440 -0.588 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001367220120 1133504756 /nfs/dbraw/zinc/50/47/56/1133504756.db2.gz JYRLNVGIURKMJW-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)COC1CC[NH+](C)CC1)C(N)=O ZINC001367227023 1133508887 /nfs/dbraw/zinc/50/88/87/1133508887.db2.gz JQCYHADJMVTYIX-CHWSQXEVSA-N 2 0 326.441 -0.448 20 0 EBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CC(=O)N1CCOCC1 ZINC001367238656 1133510902 /nfs/dbraw/zinc/51/09/02/1133510902.db2.gz HXKMGBAYOPDSJI-RBSFLKMASA-N 2 0 340.468 -0.473 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)NC(=O)NC)CC[N@@H+]1C ZINC001367244894 1133513803 /nfs/dbraw/zinc/51/38/03/1133513803.db2.gz RSENMIITYVXHMQ-FRRDWIJNSA-N 2 0 341.456 -0.486 20 0 EBADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001367433814 1133588607 /nfs/dbraw/zinc/58/86/07/1133588607.db2.gz FKTFOGRTVNWUSF-RYUDHWBXSA-N 2 0 339.440 -0.508 20 0 EBADRP CC(C)[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC(=O)NC(N)=O ZINC001367486873 1133600770 /nfs/dbraw/zinc/60/07/70/1133600770.db2.gz CILGMODYAAZKAN-NSHDSACASA-N 2 0 325.413 -0.993 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001367613534 1133693636 /nfs/dbraw/zinc/69/36/36/1133693636.db2.gz CMVCJALXHIISDX-OLZOCXBDSA-N 2 0 328.457 -0.690 20 0 EBADRP CC1CCN(C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001367623356 1133708847 /nfs/dbraw/zinc/70/88/47/1133708847.db2.gz KEEKIHBNCAQOIE-GJZGRUSLSA-N 2 0 340.468 -0.737 20 0 EBADRP COc1cc(C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2CC[N@H+](C)C2)ccn1 ZINC001367625665 1133712931 /nfs/dbraw/zinc/71/29/31/1133712931.db2.gz REHQTNRTJXGIHB-LSDHHAIUSA-N 2 0 336.436 -0.001 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(C)(C)C ZINC001367626559 1133714329 /nfs/dbraw/zinc/71/43/29/1133714329.db2.gz GMHMNNUPTAGMKU-ZIAGYGMSSA-N 2 0 342.484 -0.158 20 0 EBADRP CCN(CC[NH2+][C@H](C)C(=O)NC(=O)NC)C(=O)C[N@H+](C)C1CCC1 ZINC001367648937 1133729281 /nfs/dbraw/zinc/72/92/81/1133729281.db2.gz VLIMEUBRGXIYQP-GFCCVEGCSA-N 2 0 341.456 -0.247 20 0 EBADRP C[C@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001367679366 1133743455 /nfs/dbraw/zinc/74/34/55/1133743455.db2.gz CJYKPZLWIMPZQG-KGLIPLIRSA-N 2 0 340.468 -0.330 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001367724534 1133760604 /nfs/dbraw/zinc/76/06/04/1133760604.db2.gz CIQNSQNXRJLKPW-QWHCGFSZSA-N 2 0 341.456 -0.343 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001367731814 1133763002 /nfs/dbraw/zinc/76/30/02/1133763002.db2.gz PZCYAKYOLYTSRN-SOUVJXGZSA-N 2 0 340.468 -0.330 20 0 EBADRP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC1CCOCC1)[NH+](C)C ZINC001367767032 1133777024 /nfs/dbraw/zinc/77/70/24/1133777024.db2.gz YZIIODBDZGSMTN-XJKSGUPXSA-N 2 0 342.484 -0.038 20 0 EBADRP C[C@H](C[N@H+](C)CCN1CCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001367832066 1133805224 /nfs/dbraw/zinc/80/52/24/1133805224.db2.gz IPSXLMVNISJFIH-CYBMUJFWSA-N 2 0 325.457 -0.210 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001367998581 1133886148 /nfs/dbraw/zinc/88/61/48/1133886148.db2.gz UXPSXTKEMIDDLN-NEPJUHHUSA-N 2 0 339.440 -0.319 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(=O)NC(=O)NC2CC2)CC1 ZINC001368024098 1133901395 /nfs/dbraw/zinc/90/13/95/1133901395.db2.gz VBCVQMCDJBBUNU-GFCCVEGCSA-N 2 0 337.424 -0.693 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCN2CCCS2(=O)=O)CC1 ZINC001368024419 1133901562 /nfs/dbraw/zinc/90/15/62/1133901562.db2.gz WXMWMSFXKCDKQK-CYBMUJFWSA-N 2 0 344.481 -0.646 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]C2(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)CCO1 ZINC001368034617 1133906002 /nfs/dbraw/zinc/90/60/02/1133906002.db2.gz JCQJEZJBSBEYDU-KGLIPLIRSA-N 2 0 338.452 -0.576 20 0 EBADRP CNC(=O)C[N@H+](CCOC)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001368055681 1133914986 /nfs/dbraw/zinc/91/49/86/1133914986.db2.gz YYOFSOFMJMYDKI-CQSZACIVSA-N 2 0 340.468 -0.377 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001368163729 1133972552 /nfs/dbraw/zinc/97/25/52/1133972552.db2.gz AGEQVVOIKAREJL-NHYWBVRUSA-N 2 0 325.413 -0.896 20 0 EBADRP CN1CCC[C@@H]([N@@H+]2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001368254036 1134037186 /nfs/dbraw/zinc/03/71/86/1134037186.db2.gz AGBDEVZDYMHHNA-CJNGLKHVSA-N 2 0 326.441 -0.888 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(CC(=O)NCC3CC3)C2)C1 ZINC001368292053 1134109810 /nfs/dbraw/zinc/10/98/10/1134109810.db2.gz XUTRLAUVXJVAQB-RHSMWYFYSA-N 2 0 338.452 -0.983 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001368338098 1134155023 /nfs/dbraw/zinc/15/50/23/1134155023.db2.gz RTGTWIDOPAIWOP-CHWSQXEVSA-N 2 0 338.456 -0.223 20 0 EBADRP O=C(CCCn1ccnc1)N1C[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001368359749 1134164000 /nfs/dbraw/zinc/16/40/00/1134164000.db2.gz TWOLBDLATBDYSK-ZNMIVQPWSA-N 2 0 331.420 -0.058 20 0 EBADRP CN(C)C(=O)C[NH2+]C1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001368362622 1134166323 /nfs/dbraw/zinc/16/63/23/1134166323.db2.gz FPXMZMWDXYJXIW-CQSZACIVSA-N 2 0 339.484 -0.804 20 0 EBADRP C[C@H]([NH2+]CCN(CCO)C(=O)[C@H](C)[NH+]1CCCCCC1)C(N)=O ZINC001368393196 1134196157 /nfs/dbraw/zinc/19/61/57/1134196157.db2.gz DSGIIQJXOKMRIO-KBPBESRZSA-N 2 0 328.457 -0.465 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N(CCO)CC[NH2+][C@H]2CCCNC2=O)CC[N@@H+]1C ZINC001368395930 1134199083 /nfs/dbraw/zinc/19/90/83/1134199083.db2.gz SYSFLOCDAGJMTC-SOUVJXGZSA-N 2 0 340.468 -0.594 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](O)Cn2cccn2)CCC1 ZINC001368467283 1134243335 /nfs/dbraw/zinc/24/33/35/1134243335.db2.gz XUOMXDUZQOIZBS-GJZGRUSLSA-N 2 0 335.452 -0.033 20 0 EBADRP C[NH+]1CCC(C(=O)NCC2([NH2+]CC(=O)NC(N)=O)CCC2)CC1 ZINC001368490727 1134250997 /nfs/dbraw/zinc/25/09/97/1134250997.db2.gz UBJJZGLVSASCFV-UHFFFAOYSA-N 2 0 325.413 -0.848 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001368508304 1134260961 /nfs/dbraw/zinc/26/09/61/1134260961.db2.gz AFVFOZHQOYGUNW-VXGBXAGGSA-N 2 0 327.429 -0.508 20 0 EBADRP CN(CCC[N@H+](C)CCN1CCNC1=O)C(=O)[C@@H]1CCC[NH+]1C ZINC001368529903 1134275959 /nfs/dbraw/zinc/27/59/59/1134275959.db2.gz QTKHMVIAENFHBE-AWEZNQCLSA-N 2 0 325.457 -0.114 20 0 EBADRP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC)CC1)[NH+](C)C ZINC001368530891 1134276980 /nfs/dbraw/zinc/27/69/80/1134276980.db2.gz HKGNSYNJEPOJQB-CHWSQXEVSA-N 2 0 341.456 -0.247 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001368532541 1134278653 /nfs/dbraw/zinc/27/86/53/1134278653.db2.gz ASNGVHFHDNNEMR-MPZDIEGVSA-N 2 0 339.440 -0.462 20 0 EBADRP C[C@H]1CN(C(=O)C[N@H+](C)CCCN(C)C(=O)CC[NH+](C)C)CCO1 ZINC001368555366 1134289029 /nfs/dbraw/zinc/28/90/29/1134289029.db2.gz UYJYOHHBWXIBMM-HNNXBMFYSA-N 2 0 342.484 -0.034 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001368562565 1134291921 /nfs/dbraw/zinc/29/19/21/1134291921.db2.gz SDYYRXWOAQQRNE-QWHCGFSZSA-N 2 0 341.456 -0.308 20 0 EBADRP CNC(=O)NC(=O)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001368568428 1134295137 /nfs/dbraw/zinc/29/51/37/1134295137.db2.gz WSUIJRKOAPRWGZ-GFCCVEGCSA-N 2 0 327.429 -0.826 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC001368572768 1134297933 /nfs/dbraw/zinc/29/79/33/1134297933.db2.gz FUYRWVBVTSZPJC-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001368618745 1134330207 /nfs/dbraw/zinc/33/02/07/1134330207.db2.gz WFLDUFQUACORPH-PBHICJAKSA-N 2 0 338.452 -0.983 20 0 EBADRP CN1CC[C@@H]([NH2+]CC2(NC(=O)[C@@H]3CCC[N@@H+]3C)CCOCC2)C1=O ZINC001368625871 1134337407 /nfs/dbraw/zinc/33/74/07/1134337407.db2.gz HKUOYELKEVRAGR-KGLIPLIRSA-N 2 0 338.452 -0.434 20 0 EBADRP COC[C@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001368635791 1134347587 /nfs/dbraw/zinc/34/75/87/1134347587.db2.gz XBIUQDWLEFRQSO-RHSMWYFYSA-N 2 0 341.452 -0.967 20 0 EBADRP CNC(=O)C[NH2+][C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC001368656608 1134358985 /nfs/dbraw/zinc/35/89/85/1134358985.db2.gz DWQSHCBBFOWBIY-JSGCOSHPSA-N 2 0 336.440 -0.759 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1 ZINC001368688477 1134388832 /nfs/dbraw/zinc/38/88/32/1134388832.db2.gz PHJDDGBMGPGTSY-BETUJISGSA-N 2 0 326.441 -0.712 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001368700196 1134397879 /nfs/dbraw/zinc/39/78/79/1134397879.db2.gz DSJHVLQFRFQNJV-KGLIPLIRSA-N 2 0 340.468 -0.188 20 0 EBADRP COC[C@@H](O)C[NH+]1CCC(CO)(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001368768789 1134430887 /nfs/dbraw/zinc/43/08/87/1134430887.db2.gz MJCYIYKEBISUMN-GJZGRUSLSA-N 2 0 343.468 -0.579 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CC1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001368813143 1134452884 /nfs/dbraw/zinc/45/28/84/1134452884.db2.gz YGTPNKMTBOZOSH-UHFFFAOYSA-N 2 0 337.424 -0.706 20 0 EBADRP O=C(NC1CC(C[NH2+]C[C@@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001368820651 1134455080 /nfs/dbraw/zinc/45/50/80/1134455080.db2.gz BIVKTCQGLDZEIH-UYSNPLJNSA-N 2 0 347.463 -0.176 20 0 EBADRP C[C@@H]([NH2+]CC(=O)Nc1cnccn1)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001368909765 1134481571 /nfs/dbraw/zinc/48/15/71/1134481571.db2.gz WDBLYHQXVPDLNX-OLZOCXBDSA-N 2 0 346.435 -0.006 20 0 EBADRP CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+][C@H](C)C(=O)NC(N)=O)[NH+](C)C ZINC001368908701 1134481625 /nfs/dbraw/zinc/48/16/25/1134481625.db2.gz RSVCWNRDLACWHH-VXGBXAGGSA-N 2 0 343.472 -0.016 20 0 EBADRP CNC(=O)C[NH2+][C@H](C)[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC001369159946 1134600004 /nfs/dbraw/zinc/60/00/04/1134600004.db2.gz OQHINEBOTADLKJ-HUUCEWRRSA-N 2 0 340.468 -0.330 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](CC(=O)NC(=O)NC)C[C@H]21 ZINC001369166867 1134604371 /nfs/dbraw/zinc/60/43/71/1134604371.db2.gz WXSQZJOPZRHOSN-XYYAHUGASA-N 2 0 339.440 -0.922 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001369191608 1134612364 /nfs/dbraw/zinc/61/23/64/1134612364.db2.gz RRNCIPINAGZOIV-OLZOCXBDSA-N 2 0 341.456 -0.343 20 0 EBADRP CNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)c1sccc1C[NH+](C)C ZINC001369341339 1134688443 /nfs/dbraw/zinc/68/84/43/1134688443.db2.gz LPDQCSOHKLFBFK-JQWIXIFHSA-N 2 0 342.465 -0.376 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCCC2)CC1 ZINC001369348823 1134698404 /nfs/dbraw/zinc/69/84/04/1134698404.db2.gz OJGBRJKOGHBHQQ-AWEZNQCLSA-N 2 0 326.441 -0.983 20 0 EBADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H](CO)[NH2+][C@H]2CCNC2=O)cc1 ZINC001369367271 1134722736 /nfs/dbraw/zinc/72/27/36/1134722736.db2.gz XZYKRXHACJNMMP-CABCVRRESA-N 2 0 334.420 -0.683 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccn(C)c(=O)c1)[NH+](C)C ZINC001369369613 1134725749 /nfs/dbraw/zinc/72/57/49/1134725749.db2.gz LHEHAKOXRGGCBU-HOCLYGCPSA-N 2 0 338.452 -0.462 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)[NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC001369384304 1134746401 /nfs/dbraw/zinc/74/64/01/1134746401.db2.gz TYGKNLAPNWCSHE-GDBMZVCRSA-N 2 0 348.447 -0.306 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC(C)(C)C)C1 ZINC001369387626 1134749599 /nfs/dbraw/zinc/74/95/99/1134749599.db2.gz VCFLECMXRXIIHO-CHWSQXEVSA-N 2 0 328.457 -0.833 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001369409202 1134765822 /nfs/dbraw/zinc/76/58/22/1134765822.db2.gz XEPMTAONTOHEBL-RYUDHWBXSA-N 2 0 339.440 -0.495 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001369409201 1134766128 /nfs/dbraw/zinc/76/61/28/1134766128.db2.gz XEPMTAONTOHEBL-NWDGAFQWSA-N 2 0 339.440 -0.495 20 0 EBADRP C[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)CN1C(=O)C1CC[NH+](C)CC1 ZINC001369410551 1134767946 /nfs/dbraw/zinc/76/79/46/1134767946.db2.gz WDLTXDJUWNVWDD-JQWIXIFHSA-N 2 0 325.413 -0.898 20 0 EBADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]CCS(C)(=O)=O ZINC001369438122 1134779425 /nfs/dbraw/zinc/77/94/25/1134779425.db2.gz CAVOQNOCNDRVLM-ZDUSSCGKSA-N 2 0 343.493 -0.047 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001369478528 1134841004 /nfs/dbraw/zinc/84/10/04/1134841004.db2.gz SWJDGYQOYBTOJL-QWHCGFSZSA-N 2 0 328.457 -0.596 20 0 EBADRP CN(C[C@H](O)C[NH2+]CC(=O)NC(C)(C)C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001369478521 1134841425 /nfs/dbraw/zinc/84/14/25/1134841425.db2.gz SWJDGYQOYBTOJL-CHWSQXEVSA-N 2 0 328.457 -0.596 20 0 EBADRP CC1CC[NH+](CC(=O)N(C)C[C@H](O)C[NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001369482468 1134849304 /nfs/dbraw/zinc/84/93/04/1134849304.db2.gz LJWVVDYQLIFSAS-HUUCEWRRSA-N 2 0 340.468 -0.642 20 0 EBADRP CN(C[C@@H](O)C[N@H+](C)[C@@H]1CCCNC1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001369504619 1134891205 /nfs/dbraw/zinc/89/12/05/1134891205.db2.gz GULGASRKQXVFEJ-UONOGXRCSA-N 2 0 340.468 -0.500 20 0 EBADRP C[C@@H]([NH2+]C1CC(N(C)C(=O)COC2CC[NH+](C)CC2)C1)C(N)=O ZINC001369580036 1134947578 /nfs/dbraw/zinc/94/75/78/1134947578.db2.gz UXYQSOFGNBVCCT-PNESKVBLSA-N 2 0 326.441 -0.450 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCN1CC[NH+](CCO)CC1 ZINC001369926990 1135098020 /nfs/dbraw/zinc/09/80/20/1135098020.db2.gz BXFYWRRZSXPGTE-INIZCTEOSA-N 2 0 326.485 -0.025 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001370175123 1135236117 /nfs/dbraw/zinc/23/61/17/1135236117.db2.gz KDXDUGNJBXKZRY-STQMWFEESA-N 2 0 339.440 -0.462 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001370677565 1135485532 /nfs/dbraw/zinc/48/55/32/1135485532.db2.gz ZZWJNXNILJMCFK-ZIAGYGMSSA-N 2 0 340.468 -0.594 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)Nc3cnccn3)C2)C1 ZINC001370701912 1135518205 /nfs/dbraw/zinc/51/82/05/1135518205.db2.gz GHGNOWNVUOIYAD-MELADBBJSA-N 2 0 346.435 -0.006 20 0 EBADRP CC(C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001370714232 1135536705 /nfs/dbraw/zinc/53/67/05/1135536705.db2.gz GBDQDYPWWFQYPU-SOUVJXGZSA-N 2 0 340.468 -0.284 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001370720978 1135545591 /nfs/dbraw/zinc/54/55/91/1135545591.db2.gz ZOEZRGFGRNELCS-LSDHHAIUSA-N 2 0 340.468 -0.738 20 0 EBADRP C[N@H+](CC(=O)NC[C@H](CO)NC(=O)C12CC[NH+](CC1)C2)C1CCC1 ZINC001370723187 1135548199 /nfs/dbraw/zinc/54/81/99/1135548199.db2.gz BKROXQRMRMBYQO-CYBMUJFWSA-N 2 0 338.452 -0.840 20 0 EBADRP CC(C)[C@H](C(=O)N[C@H](CO)CNC(=O)C1CC[NH+](C)CC1)[NH+](C)C ZINC001370725970 1135552420 /nfs/dbraw/zinc/55/24/20/1135552420.db2.gz OELANKSIBVVZRK-LSDHHAIUSA-N 2 0 342.484 -0.492 20 0 EBADRP CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)C[NH+]1CCC(C)CC1)[NH+](C)C ZINC001370778602 1135624642 /nfs/dbraw/zinc/62/46/42/1135624642.db2.gz QCEPRIVBUOYGHP-CABCVRRESA-N 2 0 342.484 -0.348 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001370985456 1135736374 /nfs/dbraw/zinc/73/63/74/1135736374.db2.gz OJIAHKIFTURKDP-KGLIPLIRSA-N 2 0 328.457 -0.642 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001370994908 1135748929 /nfs/dbraw/zinc/74/89/29/1135748929.db2.gz JULXLEZQLOBCFX-LSDHHAIUSA-N 2 0 342.484 -0.254 20 0 EBADRP C[C@@H]([NH2+]C1CCC(NC(=O)COC2CC[NH+](C)CC2)CC1)C(N)=O ZINC001371070206 1135832209 /nfs/dbraw/zinc/83/22/09/1135832209.db2.gz IPVDULQONAVGOT-IYXRBSQSSA-N 2 0 340.468 -0.012 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001371178441 1135857028 /nfs/dbraw/zinc/85/70/28/1135857028.db2.gz LLDXFOPXNQNVJD-AAEUAGOBSA-N 2 0 339.440 -0.732 20 0 EBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001371434008 1135909407 /nfs/dbraw/zinc/90/94/07/1135909407.db2.gz XFJRBBPVBCVVRO-KBPBESRZSA-N 2 0 338.452 -0.528 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001371455691 1135917395 /nfs/dbraw/zinc/91/73/95/1135917395.db2.gz TZTFVGFZIUAUHV-ZIAGYGMSSA-N 2 0 328.457 -0.642 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001371462152 1135923228 /nfs/dbraw/zinc/92/32/28/1135923228.db2.gz BBJYWIOVHFYOCF-RBSFLKMASA-N 2 0 340.468 -0.500 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001371463025 1135923917 /nfs/dbraw/zinc/92/39/17/1135923917.db2.gz ULUPWFQEBWVBHB-RBSFLKMASA-N 2 0 340.468 -0.642 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC(=O)NC1CCOCC1 ZINC001371474866 1135931487 /nfs/dbraw/zinc/93/14/87/1135931487.db2.gz OQHQYZAIVQDTGA-CYBMUJFWSA-N 2 0 328.457 -0.284 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCN(C)S(C)(=O)=O ZINC001371477131 1135932374 /nfs/dbraw/zinc/93/23/74/1135932374.db2.gz WXPDBCRXCKKEKC-KGLIPLIRSA-N 2 0 348.513 -0.154 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001371533346 1135957401 /nfs/dbraw/zinc/95/74/01/1135957401.db2.gz XNPKYXKMYUMMKG-OLZOCXBDSA-N 2 0 341.456 -0.249 20 0 EBADRP C[NH+](C)C1(C(=O)N2CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C2)CCC1 ZINC001371562921 1135970922 /nfs/dbraw/zinc/97/09/22/1135970922.db2.gz ITINUFKZFXQAHH-NSHDSACASA-N 2 0 325.413 -0.896 20 0 EBADRP O=C(N1CC[C@H](C[NH2+]C[C@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001371639432 1135990194 /nfs/dbraw/zinc/99/01/94/1135990194.db2.gz VJZKAHPOALGOOV-CVEARBPZSA-N 2 0 347.463 -0.222 20 0 EBADRP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCN1CCNC1=O)[NH+](C)C ZINC001372551016 1136229102 /nfs/dbraw/zinc/22/91/02/1136229102.db2.gz HRTCUJJLSCLFGC-KBPBESRZSA-N 2 0 325.457 -0.068 20 0 EBADRP CN(C)C(=O)CN1CCC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001372557973 1136231864 /nfs/dbraw/zinc/23/18/64/1136231864.db2.gz TUQMXBXMMXXDNJ-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC001372642067 1136256794 /nfs/dbraw/zinc/25/67/94/1136256794.db2.gz AKXBJUSONRDJOV-AWEZNQCLSA-N 2 0 346.497 -0.588 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@H]1CCCN([C@H](C)C(=O)NC(N)=O)C1)[NH+](C)C ZINC001373396714 1136444709 /nfs/dbraw/zinc/44/47/09/1136444709.db2.gz WLRRWLRXIRJNEU-AGIUHOORSA-N 2 0 341.456 -0.263 20 0 EBADRP C[C@H](C(=O)NC(N)=O)N1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001373398562 1136444878 /nfs/dbraw/zinc/44/48/78/1136444878.db2.gz BDCPQFUUZWLXHZ-AGIUHOORSA-N 2 0 339.440 -0.365 20 0 EBADRP COC[C@H](O)C[NH+]1CC(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001373552382 1136493573 /nfs/dbraw/zinc/49/35/73/1136493573.db2.gz LQURQEHPPHRBQP-DZGCQCFKSA-N 2 0 329.441 -0.990 20 0 EBADRP COC[C@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001373684742 1136535977 /nfs/dbraw/zinc/53/59/77/1136535977.db2.gz GUGZJWYIBBAIAN-LSDHHAIUSA-N 2 0 343.468 -0.363 20 0 EBADRP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CCN2CCNC2=O)C1)[NH+](C)C ZINC001373690916 1136538499 /nfs/dbraw/zinc/53/84/99/1136538499.db2.gz QULQVBUIVNYWSA-KGLIPLIRSA-N 2 0 325.457 -0.116 20 0 EBADRP CC[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC(=O)NC(N)=O ZINC001373753578 1136553251 /nfs/dbraw/zinc/55/32/51/1136553251.db2.gz OTTFNYAJEDTINF-NEPJUHHUSA-N 2 0 325.413 -0.993 20 0 EBADRP C[NH+](C)CCCC(=O)NC1(C[NH2+]CC(=O)NC(N)=O)CCCC1 ZINC001373852942 1136573585 /nfs/dbraw/zinc/57/35/85/1136573585.db2.gz AHTHAVFYBCPBLO-UHFFFAOYSA-N 2 0 327.429 -0.458 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001373990296 1136600028 /nfs/dbraw/zinc/60/00/28/1136600028.db2.gz RYPHZKCUCBJJIX-NWDGAFQWSA-N 2 0 327.429 -0.732 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001374106169 1136623571 /nfs/dbraw/zinc/62/35/71/1136623571.db2.gz GUCGVJXGRFIFJP-RYUDHWBXSA-N 2 0 327.429 -0.874 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001374323544 1136673620 /nfs/dbraw/zinc/67/36/20/1136673620.db2.gz CPJBRJUYZCGBQM-RYUDHWBXSA-N 2 0 327.429 -0.637 20 0 EBADRP CC(C)C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001374352917 1136677871 /nfs/dbraw/zinc/67/78/71/1136677871.db2.gz RDJGDCXBCAZDTE-STQMWFEESA-N 2 0 341.456 -0.214 20 0 EBADRP C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001374381156 1136680789 /nfs/dbraw/zinc/68/07/89/1136680789.db2.gz GAUSJJNAQHTKBL-STQMWFEESA-N 2 0 338.456 -0.223 20 0 EBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CCN1CCNC1=O ZINC001374388134 1136681522 /nfs/dbraw/zinc/68/15/22/1136681522.db2.gz SXNOCKKNLCHUMN-UONOGXRCSA-N 2 0 325.457 -0.210 20 0 EBADRP CC(C)[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCS(C)(=O)=O ZINC001374443024 1136688837 /nfs/dbraw/zinc/68/88/37/1136688837.db2.gz HXSHGGIGAIFWJZ-CYBMUJFWSA-N 2 0 331.482 -0.143 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC(N)=O)n1 ZINC001374568862 1136722500 /nfs/dbraw/zinc/72/25/00/1136722500.db2.gz HKMLCXGISAJULQ-QWHCGFSZSA-N 2 0 336.440 -0.582 20 0 EBADRP C[N@H+](CC(=O)NC[C@H](O)C[NH2+]C[C@@H]1CCc2ncnn21)C1CCC1 ZINC001374617353 1136751758 /nfs/dbraw/zinc/75/17/58/1136751758.db2.gz UIXOOAFEZQBBET-UONOGXRCSA-N 2 0 336.440 -0.684 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1nccn1C(F)F ZINC001374632870 1136763196 /nfs/dbraw/zinc/76/31/96/1136763196.db2.gz LNWYUSDVQIZJLD-GHMZBOCLSA-N 2 0 331.367 -0.061 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(C)(C)C)[NH+](C)C ZINC001374646218 1136772237 /nfs/dbraw/zinc/77/22/37/1136772237.db2.gz NCQGCOHDEOKTRO-TZMCWYRMSA-N 2 0 330.473 -0.446 20 0 EBADRP C[NH+]1CCC(CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CC2)CC1 ZINC001374651432 1136775966 /nfs/dbraw/zinc/77/59/66/1136775966.db2.gz MSXAAGWEQRPAIP-CQSZACIVSA-N 2 0 326.441 -0.936 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CCCC2)C1 ZINC001374670935 1136789937 /nfs/dbraw/zinc/78/99/37/1136789937.db2.gz NFQMJONUXDMNSR-ZFWWWQNUSA-N 2 0 340.468 -0.546 20 0 EBADRP O=C(CCC[NH+]1CCCCC1)NC[C@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001374685971 1136801162 /nfs/dbraw/zinc/80/11/62/1136801162.db2.gz RQHXMWHQCXGWCF-CABCVRRESA-N 2 0 340.468 -0.402 20 0 EBADRP C[C@H](C[NH2+]CC(=O)Nc1cnccn1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001374754513 1136822826 /nfs/dbraw/zinc/82/28/26/1136822826.db2.gz AZFZUNAUTFJQKN-TZMCWYRMSA-N 2 0 346.435 -0.149 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001374771678 1136828432 /nfs/dbraw/zinc/82/84/32/1136828432.db2.gz PWNKFIWCNNPZPH-MNOVXSKESA-N 2 0 327.429 -0.591 20 0 EBADRP C[C@H](C[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001374798668 1136835586 /nfs/dbraw/zinc/83/55/86/1136835586.db2.gz KMJYNLZUNNXHMP-HZSPNIEDSA-N 2 0 348.451 -0.286 20 0 EBADRP C[C@H](C[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001374798669 1136835816 /nfs/dbraw/zinc/83/58/16/1136835816.db2.gz KMJYNLZUNNXHMP-MGPQQGTHSA-N 2 0 348.451 -0.286 20 0 EBADRP CCn1ncc(CNC[C@@H](C)NC(=O)[C@@H](C)C[NH+]2CCOCC2)n1 ZINC001374847377 1136851874 /nfs/dbraw/zinc/85/18/74/1136851874.db2.gz OMAKZZPSGGOISX-UONOGXRCSA-N 2 0 338.456 -0.139 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001374951755 1136882346 /nfs/dbraw/zinc/88/23/46/1136882346.db2.gz CRVYCGFXFJKZAO-RYUDHWBXSA-N 2 0 341.456 -0.216 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)CCO1 ZINC000642798403 376207200 /nfs/dbraw/zinc/20/72/00/376207200.db2.gz RCZIHGJEXVHWTP-SOUVJXGZSA-N 2 0 340.468 -0.058 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)NCC(=O)N2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000583920591 375885312 /nfs/dbraw/zinc/88/53/12/375885312.db2.gz OSIGJAWHSPNAEU-ZIAGYGMSSA-N 2 0 341.456 -0.783 20 0 EBADRP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CCC[C@@H](Cn3ccnn3)C2)C1=O ZINC000533549477 376003850 /nfs/dbraw/zinc/00/38/50/376003850.db2.gz WTOFLMFWPRDHFL-ZIAGYGMSSA-N 2 0 334.424 -0.321 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CCSC1 ZINC000642768752 376088183 /nfs/dbraw/zinc/08/81/83/376088183.db2.gz ANTJVSUJEXKECW-IOASZLSFSA-N 2 0 340.493 -0.250 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CCSC1 ZINC000642768753 376088626 /nfs/dbraw/zinc/08/86/26/376088626.db2.gz ANTJVSUJEXKECW-WWGRRREGSA-N 2 0 340.493 -0.250 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)CCO1 ZINC000642780496 376118522 /nfs/dbraw/zinc/11/85/22/376118522.db2.gz HXSVNJFIZXMBHP-BBRMVZONSA-N 2 0 348.447 -0.061 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642758188 376081635 /nfs/dbraw/zinc/08/16/35/376081635.db2.gz XLDXKNIGSGPDLY-KGLIPLIRSA-N 2 0 326.441 -0.528 20 0 EBADRP CC[NH+](C)C[C@H](O)CN1CCN(C[C@@H](O)C[N@@H+](C)CC)C[C@@H]1C ZINC000568165371 376130318 /nfs/dbraw/zinc/13/03/18/376130318.db2.gz MDCWJKNAQRFMKS-ULQDDVLXSA-N 2 0 330.517 -0.382 20 0 EBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CCO1 ZINC000642787611 376149757 /nfs/dbraw/zinc/14/97/57/376149757.db2.gz BOIXNDKYKWAAOA-KGLIPLIRSA-N 2 0 340.468 -0.201 20 0 EBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000584229940 376219882 /nfs/dbraw/zinc/21/98/82/376219882.db2.gz ZONCVELRCQLTIM-HNNXBMFYSA-N 2 0 349.483 -0.131 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CCO1 ZINC000642809767 376361495 /nfs/dbraw/zinc/36/14/95/376361495.db2.gz NUDVTICJRUTUIM-MELADBBJSA-N 2 0 340.468 -0.202 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000642912355 376712061 /nfs/dbraw/zinc/71/20/61/376712061.db2.gz AQOZMCFTFIPMNH-KGLIPLIRSA-N 3 0 327.473 -0.676 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000642912357 376713145 /nfs/dbraw/zinc/71/31/45/376713145.db2.gz AQOZMCFTFIPMNH-ZIAGYGMSSA-N 3 0 327.473 -0.676 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000642924570 376765164 /nfs/dbraw/zinc/76/51/64/376765164.db2.gz DDNOAKVNDNQBFR-ZIAGYGMSSA-N 2 0 337.468 -0.909 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000561203824 376815891 /nfs/dbraw/zinc/81/58/91/376815891.db2.gz QRQVSKBQJIGNRV-CQSZACIVSA-N 2 0 341.456 -0.830 20 0 EBADRP CN1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)[C@@H](C[NH3+])C1 ZINC000565033466 376858449 /nfs/dbraw/zinc/85/84/49/376858449.db2.gz YUVMGDJZXHTEBM-INIZCTEOSA-N 2 0 346.479 -0.305 20 0 EBADRP Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nc(C)n1 ZINC000635123005 376892425 /nfs/dbraw/zinc/89/24/25/376892425.db2.gz PRADTYMXVHZFAC-UHFFFAOYSA-N 2 0 336.440 -0.016 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627361427 376933234 /nfs/dbraw/zinc/93/32/34/376933234.db2.gz NZMGZMQPJDNVIE-CYBMUJFWSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@H](C(=O)NC[C@@H](NC(=O)[C@@H](C)[NH+](C)C)c1cnn(C)c1)[NH+](C)C ZINC000635726910 377114062 /nfs/dbraw/zinc/11/40/62/377114062.db2.gz YLROJFUVVRPNPE-YRGRVCCFSA-N 2 0 338.456 -0.406 20 0 EBADRP C[C@H](C(=O)NC[C@@H]1CSCCN1C(=O)[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000635760912 377116976 /nfs/dbraw/zinc/11/69/76/377116976.db2.gz XYTZXVAFGRFKGK-JHJVBQTASA-N 2 0 330.498 -0.053 20 0 EBADRP COC(=O)[C@@H]1O[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H]1C ZINC000601039216 377104571 /nfs/dbraw/zinc/10/45/71/377104571.db2.gz FYWLWEFYRBVUSG-MGPQQGTHSA-N 2 0 329.441 -0.095 20 0 EBADRP COCCOCC[N@H+](C)CCC(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000636124667 377235647 /nfs/dbraw/zinc/23/56/47/377235647.db2.gz AFSHFOKEYSZZLS-OAHLLOKOSA-N 2 0 329.441 -0.751 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000570044760 377201811 /nfs/dbraw/zinc/20/18/11/377201811.db2.gz ZDTAVFHRTVDMSO-IHRRRGAJSA-N 2 0 328.457 -0.202 20 0 EBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000262743793 377395785 /nfs/dbraw/zinc/39/57/85/377395785.db2.gz FJFBGRSOFOZFNN-ZNMIVQPWSA-N 2 0 338.452 -0.624 20 0 EBADRP [NH3+][C@@H]1C[C@@H]2CN(S(=O)(=O)CCC[NH+]3CCCC3)CCN2C1=O ZINC000601342253 377529174 /nfs/dbraw/zinc/52/91/74/377529174.db2.gz ANGRMXCKEQKCMP-CHWSQXEVSA-N 2 0 330.454 -0.954 20 0 EBADRP COCC[N@H+](C)CCNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000109172706 377548163 /nfs/dbraw/zinc/54/81/63/377548163.db2.gz XWATWYULFINRGB-HNNXBMFYSA-N 2 0 330.473 -0.043 20 0 EBADRP COCC[N@H+](C)CCNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000109172704 377550166 /nfs/dbraw/zinc/55/01/66/377550166.db2.gz XWATWYULFINRGB-OAHLLOKOSA-N 2 0 330.473 -0.043 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)CCCN3CC[NH+](C)CC3)C[C@@H]21 ZINC000632412875 377600566 /nfs/dbraw/zinc/60/05/66/377600566.db2.gz NKTTWSDNWZRRDB-CABCVRRESA-N 2 0 330.498 -0.410 20 0 EBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000592553968 377842283 /nfs/dbraw/zinc/84/22/83/377842283.db2.gz YXCSUHRSZAOLQH-KBPBESRZSA-N 2 0 335.408 -0.215 20 0 EBADRP CCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000592824281 377853913 /nfs/dbraw/zinc/85/39/13/377853913.db2.gz HHFGKUSRMQLCBE-ZIAGYGMSSA-N 2 0 338.452 -0.086 20 0 EBADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000593907763 377920148 /nfs/dbraw/zinc/92/01/48/377920148.db2.gz UIBNNGVIFPZIQX-YOEHRIQHSA-N 2 0 339.436 -0.386 20 0 EBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCc3ccc4c(c3)C[NH2+]C4)CCN2C1=O ZINC000595265893 377984794 /nfs/dbraw/zinc/98/47/94/377984794.db2.gz WIOVLEAOKZUMDP-LSDHHAIUSA-N 2 0 329.404 -0.257 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CCSC1 ZINC000595269207 377988280 /nfs/dbraw/zinc/98/82/80/377988280.db2.gz QLYKGJBNTZVCHG-XUJVJEKNSA-N 2 0 341.481 -0.623 20 0 EBADRP CCOC(=O)C1([C@@H](C)[NH2+]CCCS(=O)(=O)NC)CC[NH2+]CC1 ZINC000602022042 378331368 /nfs/dbraw/zinc/33/13/68/378331368.db2.gz SHMRBJNBGBKAAM-GFCCVEGCSA-N 2 0 335.470 -0.163 20 0 EBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H](O)[C@@H]3CCCO3)C2)CC1 ZINC000636790778 378395674 /nfs/dbraw/zinc/39/56/74/378395674.db2.gz BMQXURSRIIZQNX-BPUTZDHNSA-N 2 0 340.468 -0.006 20 0 EBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H](O)[C@H]3CCCO3)C2)CC1 ZINC000636790781 378395775 /nfs/dbraw/zinc/39/57/75/378395775.db2.gz BMQXURSRIIZQNX-CWRNSKLLSA-N 2 0 340.468 -0.006 20 0 EBADRP C[N@@H+]1CCN(CCNC(=O)NCC[NH+]2CC[C@@H](O)C2)CC1(C)C ZINC000637123151 378498106 /nfs/dbraw/zinc/49/81/06/378498106.db2.gz VCSUFUWHANOVAB-CQSZACIVSA-N 2 0 327.473 -0.622 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCCC[C@H]2C(N)=O)C1 ZINC000338947843 378833342 /nfs/dbraw/zinc/83/33/42/378833342.db2.gz XDIVDZKZZLROLC-CABCVRRESA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC2CC[NH+](C)CC2)CCCO1 ZINC000339635369 378963652 /nfs/dbraw/zinc/96/36/52/378963652.db2.gz WOBJACHKWHLJGA-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000339668153 378969053 /nfs/dbraw/zinc/96/90/53/378969053.db2.gz DLNAIPAPNUGRHH-AWEZNQCLSA-N 2 0 326.441 -0.576 20 0 EBADRP CC[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+](C)CCOC)CC1 ZINC000339670636 378969409 /nfs/dbraw/zinc/96/94/09/378969409.db2.gz JWRLSLVRSUVDBY-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP C[C@@H]1C[C@H](C[NH+]2CCN(S(=O)(=O)N3CCOCC3)CC2)CC[NH2+]1 ZINC000563435545 379020970 /nfs/dbraw/zinc/02/09/70/379020970.db2.gz HDEKQSWPCPOIEL-HUUCEWRRSA-N 2 0 346.497 -0.431 20 0 EBADRP CN1CCN(C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H](C[NH3+])C1 ZINC000563633673 379061476 /nfs/dbraw/zinc/06/14/76/379061476.db2.gz RRYONLVTGPNKMK-ZDUSSCGKSA-N 2 0 339.484 -0.487 20 0 EBADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000339921788 379089203 /nfs/dbraw/zinc/08/92/03/379089203.db2.gz KAGOMFFVOAIOHX-UHFFFAOYSA-N 2 0 342.484 -0.083 20 0 EBADRP C[NH+](C)CC1(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CCCC1 ZINC000627288346 379104231 /nfs/dbraw/zinc/10/42/31/379104231.db2.gz UJXPCIWXPUKHQA-CYBMUJFWSA-N 2 0 326.441 -0.671 20 0 EBADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1=O ZINC000452794302 379098700 /nfs/dbraw/zinc/09/87/00/379098700.db2.gz GFAVFVSHNQUAKY-GJZGRUSLSA-N 2 0 340.468 -0.641 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000629788830 379133982 /nfs/dbraw/zinc/13/39/82/379133982.db2.gz LMJLVECBCVPAJK-UHFFFAOYSA-N 2 0 340.468 -0.246 20 0 EBADRP CC[NH+]1CCN(CCC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CC1 ZINC000618306037 379134847 /nfs/dbraw/zinc/13/48/47/379134847.db2.gz QZFZHVMTWTWGFC-UHFFFAOYSA-N 2 0 341.500 -0.508 20 0 EBADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000629792048 379134799 /nfs/dbraw/zinc/13/47/99/379134799.db2.gz GQMJIGUWACGEQH-UHFFFAOYSA-N 2 0 342.484 -0.001 20 0 EBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC000629816722 379157431 /nfs/dbraw/zinc/15/74/31/379157431.db2.gz IAFVHOFNGPPCMY-CQSZACIVSA-N 2 0 338.452 -0.480 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000629797434 379139906 /nfs/dbraw/zinc/13/99/06/379139906.db2.gz XQXMRAFNNKULSA-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000629798852 379141861 /nfs/dbraw/zinc/14/18/61/379141861.db2.gz LUCWOCNECICZGT-KGLIPLIRSA-N 2 0 326.441 -0.624 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000629798738 379142804 /nfs/dbraw/zinc/14/28/04/379142804.db2.gz CCHORFHIOZMYFT-AWEZNQCLSA-N 2 0 328.457 -0.247 20 0 EBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)[C@@H]2C1 ZINC000629802757 379147579 /nfs/dbraw/zinc/14/75/79/379147579.db2.gz KCPCBQJZBLWADM-IHETXDGRSA-N 2 0 334.464 -0.003 20 0 EBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CCOCC[NH2+]C)C1 ZINC000629802892 379148482 /nfs/dbraw/zinc/14/84/82/379148482.db2.gz XBDLZTWKWNBOMJ-CQSZACIVSA-N 2 0 328.457 -0.519 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000629804313 379148667 /nfs/dbraw/zinc/14/86/67/379148667.db2.gz SUVPWSRYQIOFMH-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP COC[C@@]1(CNC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CCC[NH2+]1 ZINC000571507253 379199642 /nfs/dbraw/zinc/19/96/42/379199642.db2.gz FWHGZMFPWSMILB-LZWOXQAQSA-N 2 0 328.457 -0.149 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)CC1 ZINC000627302665 379234077 /nfs/dbraw/zinc/23/40/77/379234077.db2.gz USFRWZPDPZGOKD-OAHLLOKOSA-N 2 0 340.468 -0.330 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C)C[C@@H](C(=O)OC)C2)C1 ZINC000413301435 379227395 /nfs/dbraw/zinc/22/73/95/379227395.db2.gz OMTUOBZNMZCGFB-KGLIPLIRSA-N 2 0 342.440 -0.547 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627332489 379343801 /nfs/dbraw/zinc/34/38/01/379343801.db2.gz BAXJEDAJTWQIFB-CQSZACIVSA-N 2 0 328.457 -0.343 20 0 EBADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627312418 379304426 /nfs/dbraw/zinc/30/44/26/379304426.db2.gz YEQFWFFXYUKMGG-ZIAGYGMSSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@H]1CC[C@H](NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C[NH2+]1 ZINC000627338627 379375555 /nfs/dbraw/zinc/37/55/55/379375555.db2.gz LRXPCLOBEVCUTG-ZFWWWQNUSA-N 2 0 339.484 -0.615 20 0 EBADRP C[C@@H](CNC(=O)NCCOCC[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000471655530 379377747 /nfs/dbraw/zinc/37/77/47/379377747.db2.gz WPOVHMLPXIZATA-HNNXBMFYSA-N 2 0 329.489 -0.253 20 0 EBADRP C[NH+]1CCN(c2cc(CNC(=O)C[C@H]3C[NH2+]CCO3)ccn2)CC1 ZINC000269310387 379362561 /nfs/dbraw/zinc/36/25/61/379362561.db2.gz WPCCMCWPJOVXHP-HNNXBMFYSA-N 2 0 333.436 -0.172 20 0 EBADRP CC[NH+]1CCC(NC(=O)Cn2cc(CN3CC[NH2+]CC3)nn2)CC1 ZINC000640867750 379362567 /nfs/dbraw/zinc/36/25/67/379362567.db2.gz UQXQZBNOLJROOP-UHFFFAOYSA-N 2 0 335.456 -0.716 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CCSC1 ZINC000621842897 379366428 /nfs/dbraw/zinc/36/64/28/379366428.db2.gz BALKNQBNOKPNHN-RCBQFDQVSA-N 2 0 340.493 -0.120 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621845678 379369631 /nfs/dbraw/zinc/36/96/31/379369631.db2.gz NMYXWHXASVVQKQ-XJKSGUPXSA-N 2 0 326.441 -0.589 20 0 EBADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000641823884 379475506 /nfs/dbraw/zinc/47/55/06/379475506.db2.gz BLENPYVOAVGYOL-OAHLLOKOSA-N 2 0 340.468 -0.103 20 0 EBADRP COC[C@]1(CNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CCC[NH2+]1 ZINC000641826803 379475802 /nfs/dbraw/zinc/47/58/02/379475802.db2.gz BKBMQZKCROKYHE-MRXNPFEDSA-N 2 0 328.457 -0.147 20 0 EBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000487650305 379501994 /nfs/dbraw/zinc/50/19/94/379501994.db2.gz GYSHGGFJCQSAHP-CABCVRRESA-N 2 0 340.468 -0.567 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627394056 379580897 /nfs/dbraw/zinc/58/08/97/379580897.db2.gz VMBCCGQTKMENBD-IYBDPMFKSA-N 2 0 326.441 -0.861 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000627425335 379593527 /nfs/dbraw/zinc/59/35/27/379593527.db2.gz MOFDIQNDKRNXRE-ZIAGYGMSSA-N 2 0 326.441 -0.447 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627440566 379597136 /nfs/dbraw/zinc/59/71/36/379597136.db2.gz NZEBPHODVJDILZ-CQSZACIVSA-N 3 0 339.484 -0.661 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627442017 379599338 /nfs/dbraw/zinc/59/93/38/379599338.db2.gz ZJAYEIVKUMYCLJ-CYBMUJFWSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627357214 379562685 /nfs/dbraw/zinc/56/26/85/379562685.db2.gz ADKCNKYNGVNPBP-CYBMUJFWSA-N 2 0 326.441 -0.399 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000627370823 379568756 /nfs/dbraw/zinc/56/87/56/379568756.db2.gz NLWRLKQCPKGQTR-OAHLLOKOSA-N 2 0 346.497 -0.766 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000627371251 379571113 /nfs/dbraw/zinc/57/11/13/379571113.db2.gz ZDPPSPDAWPNARS-ZOWXZIJZSA-N 2 0 328.482 -0.203 20 0 EBADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC000627388277 379576100 /nfs/dbraw/zinc/57/61/00/379576100.db2.gz QMBYJDDTARGXME-MRXNPFEDSA-N 2 0 348.447 -0.489 20 0 EBADRP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CCOCC1 ZINC000627455179 379605547 /nfs/dbraw/zinc/60/55/47/379605547.db2.gz NPZGGFULRHDSAP-UHFFFAOYSA-N 2 0 338.452 -0.303 20 0 EBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627456061 379606276 /nfs/dbraw/zinc/60/62/76/379606276.db2.gz XRTHDLCIXFUNTN-CYBMUJFWSA-N 2 0 326.441 -0.448 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000627465056 379615369 /nfs/dbraw/zinc/61/53/69/379615369.db2.gz WAJHCPXGRGBUKR-KGLIPLIRSA-N 2 0 326.441 -0.719 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000627468695 379615554 /nfs/dbraw/zinc/61/55/54/379615554.db2.gz BHAASNADZJRSCU-RDBSUJKOSA-N 2 0 326.441 -0.672 20 0 EBADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NC[C@@H]3COCC[NH2+]3)C2)CC1 ZINC000627469684 379618043 /nfs/dbraw/zinc/61/80/43/379618043.db2.gz BGGXZLNRPHOEQU-LSDHHAIUSA-N 2 0 338.452 -0.719 20 0 EBADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000627472824 379619316 /nfs/dbraw/zinc/61/93/16/379619316.db2.gz ZUFZUIYCDYPKTB-AWEZNQCLSA-N 2 0 338.452 -0.432 20 0 EBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C[NH2+]1 ZINC000627477062 379624435 /nfs/dbraw/zinc/62/44/35/379624435.db2.gz QIQCZNGZEHMMLM-RBSFLKMASA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627475584 379625512 /nfs/dbraw/zinc/62/55/12/379625512.db2.gz PQSMPMGLTLYMJL-MCIONIFRSA-N 2 0 326.441 -0.530 20 0 EBADRP CN1CCN(c2cc(NC[C@@H]3C[N@@H+](C)CCN3C)ncn2)CC1=O ZINC000274984536 379730092 /nfs/dbraw/zinc/73/00/92/379730092.db2.gz ZSUYZSFXABOPKI-CYBMUJFWSA-N 2 0 333.440 -0.587 20 0 EBADRP C[C@@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000631902449 379735669 /nfs/dbraw/zinc/73/56/69/379735669.db2.gz JGMSQUXHIFKZLQ-HUUCEWRRSA-N 2 0 332.514 -0.069 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000631954376 379792065 /nfs/dbraw/zinc/79/20/65/379792065.db2.gz JWCAARADVLHPNS-CQSZACIVSA-N 2 0 330.498 -0.172 20 0 EBADRP [NH3+]Cc1ccc2c(c1)N(S(=O)(=O)C[C@H]1C[NH2+]CCO1)CCO2 ZINC000631958162 379793672 /nfs/dbraw/zinc/79/36/72/379793672.db2.gz LGTQBBSXYCIMBJ-GFCCVEGCSA-N 2 0 327.406 -0.338 20 0 EBADRP C[NH+](C)C[C@@H]1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000631965015 379794100 /nfs/dbraw/zinc/79/41/00/379794100.db2.gz QXSTWBAJPLXQNV-HNNXBMFYSA-N 2 0 332.514 -0.163 20 0 EBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCC(C)CC2)CCO1 ZINC000642300707 379800317 /nfs/dbraw/zinc/80/03/17/379800317.db2.gz CBLPDUOKNLGCQE-CABCVRRESA-N 2 0 340.468 -0.201 20 0 EBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000627086491 379801189 /nfs/dbraw/zinc/80/11/89/379801189.db2.gz BAGMKIIUOGKYGI-KGLIPLIRSA-N 2 0 338.456 -0.391 20 0 EBADRP CN(CCOCC[NH3+])C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000627091229 379803463 /nfs/dbraw/zinc/80/34/63/379803463.db2.gz KZBZDIAJZFYAKX-NSHDSACASA-N 2 0 341.378 -0.561 20 0 EBADRP CN1CCO[C@@H](CS(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000632066653 379810396 /nfs/dbraw/zinc/81/03/96/379810396.db2.gz LTBLZIPQHSMMMF-CHWSQXEVSA-N 2 0 337.511 -0.326 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000631798023 379759576 /nfs/dbraw/zinc/75/95/76/379759576.db2.gz LREGUAVQFANOMF-CQSZACIVSA-N 2 0 330.498 -0.220 20 0 EBADRP C[C@@H]1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000631944269 379760413 /nfs/dbraw/zinc/76/04/13/379760413.db2.gz RYWNIJUKEVAUNG-HUUCEWRRSA-N 2 0 332.514 -0.130 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631924704 379780915 /nfs/dbraw/zinc/78/09/15/379780915.db2.gz CACTVROTUOPZJH-GJZGRUSLSA-N 2 0 349.497 -0.263 20 0 EBADRP C[N@@H+]1C[C@@H]2CN(S(=O)(=O)CCCN3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000632287119 379839118 /nfs/dbraw/zinc/83/91/18/379839118.db2.gz VWNHSPLCUIRELF-GASCZTMLSA-N 2 0 330.498 -0.553 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C[NH2+]1 ZINC000627207415 379839490 /nfs/dbraw/zinc/83/94/90/379839490.db2.gz QXOXWEUDTPEUIH-KFWWJZLASA-N 2 0 337.468 -0.020 20 0 EBADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCCOCCC[NH3+])C1 ZINC000627484587 379842430 /nfs/dbraw/zinc/84/24/30/379842430.db2.gz BKFUUMLXVQHAGE-KBPBESRZSA-N 2 0 326.441 -0.589 20 0 EBADRP [NH3+]CCCOCCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000627218859 379842744 /nfs/dbraw/zinc/84/27/44/379842744.db2.gz JNIKQNLBPMOSOH-CQSZACIVSA-N 2 0 341.456 -0.795 20 0 EBADRP [NH3+]C[C@]1(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCCOC1 ZINC000637816098 379863632 /nfs/dbraw/zinc/86/36/32/379863632.db2.gz XJHYBFGTXGMFIW-RHSMWYFYSA-N 2 0 338.452 -0.588 20 0 EBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000637813946 379867003 /nfs/dbraw/zinc/86/70/03/379867003.db2.gz UGGDCEYLAWQCAS-JKIFEVAISA-N 2 0 338.452 -0.576 20 0 EBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NCC1([NH3+])CCOCC1 ZINC000627147495 379813791 /nfs/dbraw/zinc/81/37/91/379813791.db2.gz JJVRNUYWLYKGGU-ZDUSSCGKSA-N 2 0 341.456 -0.477 20 0 EBADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627186219 379825517 /nfs/dbraw/zinc/82/55/17/379825517.db2.gz QVMCPNNBYYBEIG-AWEZNQCLSA-N 3 0 327.473 -0.358 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000633674887 379969560 /nfs/dbraw/zinc/96/95/60/379969560.db2.gz FXYODNCNNAJXNP-AWEZNQCLSA-N 2 0 336.440 -0.486 20 0 EBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000633147566 379948920 /nfs/dbraw/zinc/94/89/20/379948920.db2.gz SLVWLZZKZVHBLA-UONOGXRCSA-N 2 0 327.473 -0.724 20 0 EBADRP CCc1ncc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000130533185 380060203 /nfs/dbraw/zinc/06/02/03/380060203.db2.gz KPFRKTRXGRFUHA-UHFFFAOYSA-N 2 0 336.440 -0.071 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000354691427 380081860 /nfs/dbraw/zinc/08/18/60/380081860.db2.gz MORHUQCREXYTTD-HUUCEWRRSA-N 2 0 340.468 -0.282 20 0 EBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000545279951 380088996 /nfs/dbraw/zinc/08/89/96/380088996.db2.gz BQSGBBUDKPBOCJ-CQSZACIVSA-N 2 0 326.441 -0.813 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC[NH+]2CCCCC2)n1 ZINC000133687687 380123344 /nfs/dbraw/zinc/12/33/44/380123344.db2.gz PWXNEQKQFOPPAQ-UHFFFAOYSA-N 2 0 336.440 -0.015 20 0 EBADRP C[C@@]1(CO)C[C@@H](O)C[N@@H+]1CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000639853735 380228180 /nfs/dbraw/zinc/22/81/80/380228180.db2.gz LRVWXESDSOOWHW-PBHICJAKSA-N 2 0 337.420 -0.259 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@](C)(C(N)=O)C2)C1 ZINC000361556678 380321874 /nfs/dbraw/zinc/32/18/74/380321874.db2.gz JUQJZNJRWZMCLU-WMLDXEAASA-N 2 0 340.468 -0.343 20 0 EBADRP O=C1NC[C@H]2C[NH+](CCCC[N@@H+]3CCN4C(=O)NC[C@H]4C3)CCN12 ZINC000247273356 380286257 /nfs/dbraw/zinc/28/62/57/380286257.db2.gz WPCWCRHNDQVXAQ-KBPBESRZSA-N 2 0 336.440 -0.815 20 0 EBADRP [NH3+]C[C@@]1(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCCOC1 ZINC000638219761 380289161 /nfs/dbraw/zinc/28/91/61/380289161.db2.gz LEQJNZCEXULNDO-YPMHNXCESA-N 2 0 338.374 -0.306 20 0 EBADRP CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)N[C@@H](C)CN1CCOCC1 ZINC000340258148 380364226 /nfs/dbraw/zinc/36/42/26/380364226.db2.gz VTBRAHUSVHVEFB-LSDHHAIUSA-N 2 0 340.468 -0.378 20 0 EBADRP O=C(COC1CC[NH2+]CC1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000564948091 380388904 /nfs/dbraw/zinc/38/89/04/380388904.db2.gz SJOVZNOMDFSVEF-CQSZACIVSA-N 2 0 338.452 -0.575 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@]1(C)CCCO1 ZINC000554250014 380339152 /nfs/dbraw/zinc/33/91/52/380339152.db2.gz RBTDRTNYJIZFST-MRXNPFEDSA-N 2 0 328.457 -0.377 20 0 EBADRP CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)O1 ZINC000554515932 380345303 /nfs/dbraw/zinc/34/53/03/380345303.db2.gz DLFNFQAOZVKUEM-KGLIPLIRSA-N 2 0 328.457 -0.426 20 0 EBADRP C[NH+](C)C[C@](C)(O)CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000153475337 380438279 /nfs/dbraw/zinc/43/82/79/380438279.db2.gz ZGBPBTZFYXRDKZ-QGZVFWFLSA-N 2 0 335.452 -0.124 20 0 EBADRP CN(C)c1ncc(CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)n1C ZINC000565948868 380440080 /nfs/dbraw/zinc/44/00/80/380440080.db2.gz JCMQOJKHQFRTDU-LLVKDONJSA-N 2 0 332.412 -0.240 20 0 EBADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000565240577 380410359 /nfs/dbraw/zinc/41/03/59/380410359.db2.gz YQHNLYHWUWOAPR-VHDGCEQUSA-N 2 0 341.415 -0.192 20 0 EBADRP O=C(CC[C@H]1CCC[NH2+]C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638485963 380486572 /nfs/dbraw/zinc/48/65/72/380486572.db2.gz MTFCKUXSNOEITB-OAHLLOKOSA-N 2 0 337.468 -0.064 20 0 EBADRP O=C([C@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638485960 380486907 /nfs/dbraw/zinc/48/69/07/380486907.db2.gz MOPWDKUHXAGCLC-LSDHHAIUSA-N 2 0 335.452 -0.314 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H](CO)Cc2ccc(F)cc2)CC1 ZINC000566974263 380495074 /nfs/dbraw/zinc/49/50/74/380495074.db2.gz WZSCMDZSOLCRCZ-IAGOWNOFSA-N 2 0 325.428 -0.073 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NC2CC[NH+](C)CC2)CCSC1 ZINC000340440631 380500176 /nfs/dbraw/zinc/50/01/76/380500176.db2.gz COUJJSJQXDJBRL-HNNXBMFYSA-N 2 0 328.482 -0.250 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368331263 380502052 /nfs/dbraw/zinc/50/20/52/380502052.db2.gz IUSRXAILWGYMKW-ZDUSSCGKSA-N 2 0 325.457 -0.081 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000567368912 380515343 /nfs/dbraw/zinc/51/53/43/380515343.db2.gz MCMPXFXXSLTEHI-CQSZACIVSA-N 2 0 327.473 -0.817 20 0 EBADRP Cn1cc(N2CC[C@@H](N3CCC[C@H](n4cc(C[NH3+])nn4)C3)C2=O)cn1 ZINC000566300537 380461423 /nfs/dbraw/zinc/46/14/23/380461423.db2.gz MSURGGSEKMCCBB-DZGCQCFKSA-N 2 0 344.423 -0.087 20 0 EBADRP CN(CCC[N@H+](C)Cc1cn(C)c(=O)n(C)c1=O)CC[NH+](C)C ZINC000290200951 380464302 /nfs/dbraw/zinc/46/43/02/380464302.db2.gz PPKMHBDVRZEYSE-UHFFFAOYSA-N 2 0 325.457 -0.601 20 0 EBADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@@H]1C[NH+]2CCN1CCC2 ZINC000638423728 380468515 /nfs/dbraw/zinc/46/85/15/380468515.db2.gz ANOFLLDGTHGJAX-QZTJIDSGSA-N 2 0 345.491 -0.048 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC[C@@H](O)C[NH+](C)C1CC1 ZINC000567681985 380535362 /nfs/dbraw/zinc/53/53/62/380535362.db2.gz CNKBSIPVIHLERX-CVEARBPZSA-N 3 0 326.485 -0.026 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC2)c1 ZINC000567881048 380554565 /nfs/dbraw/zinc/55/45/65/380554565.db2.gz RPWARVWRZTXMJQ-STQMWFEESA-N 2 0 349.435 -0.019 20 0 EBADRP CC[NH+]1CCN(CCCNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000567894920 380555611 /nfs/dbraw/zinc/55/56/11/380555611.db2.gz FZMABJOPUYKSTA-HNNXBMFYSA-N 2 0 349.483 -0.213 20 0 EBADRP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000369400396 380557085 /nfs/dbraw/zinc/55/70/85/380557085.db2.gz HHFSACJJBBAWGK-CVEARBPZSA-N 2 0 339.484 -0.214 20 0 EBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000568167308 380578398 /nfs/dbraw/zinc/57/83/98/380578398.db2.gz FVHHXQKWHWUTSA-OKZBNKHCSA-N 2 0 342.528 -0.117 20 0 EBADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+]C(CO)CO)CC1 ZINC000568174847 380580740 /nfs/dbraw/zinc/58/07/40/380580740.db2.gz JANRWSQGKWDZTP-UHFFFAOYSA-N 2 0 335.448 -0.028 20 0 EBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000568902168 380623629 /nfs/dbraw/zinc/62/36/29/380623629.db2.gz XOXBTLSCMPPQHD-CTPFVTRSSA-N 2 0 336.436 -0.711 20 0 EBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000568902169 380623896 /nfs/dbraw/zinc/62/38/96/380623896.db2.gz XOXBTLSCMPPQHD-GBIDUEILSA-N 2 0 336.436 -0.711 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000340793389 380625641 /nfs/dbraw/zinc/62/56/41/380625641.db2.gz GZQAGZYMTVBLLF-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H](NC(=O)CCOC1C[NH2+]C1)C(=O)NCC[NH+]1CCCCC1 ZINC000573562352 380678433 /nfs/dbraw/zinc/67/84/33/380678433.db2.gz ZYGWEXIHEROFOR-CYBMUJFWSA-N 2 0 326.441 -0.528 20 0 EBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000574154231 380703206 /nfs/dbraw/zinc/70/32/06/380703206.db2.gz DGBPLIGTSPIRFJ-KGLIPLIRSA-N 2 0 326.441 -0.495 20 0 EBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000574340467 380708186 /nfs/dbraw/zinc/70/81/86/380708186.db2.gz GYXHNFFJDFCOHM-OAHLLOKOSA-N 2 0 339.484 -0.756 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000576331140 380767336 /nfs/dbraw/zinc/76/73/36/380767336.db2.gz OCJPVIMLTBIPHX-HNNXBMFYSA-N 2 0 337.468 -0.066 20 0 EBADRP CC(C)[NH+]1CCC(NC(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000575330614 380737195 /nfs/dbraw/zinc/73/71/95/380737195.db2.gz ALYNNPFEXKZIAA-GJZGRUSLSA-N 2 0 337.468 -0.781 20 0 EBADRP CC(C)[NH+]1CCC(NC(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000575330615 380737950 /nfs/dbraw/zinc/73/79/50/380737950.db2.gz ALYNNPFEXKZIAA-HUUCEWRRSA-N 2 0 337.468 -0.781 20 0 EBADRP [NH3+]CC(=O)NCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390897009 380740963 /nfs/dbraw/zinc/74/09/63/380740963.db2.gz KWMFHWIFOHCKFS-OAHLLOKOSA-N 2 0 334.420 -0.531 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)NCC(=O)N2CC[NH2+]CC2)CCSC1 ZINC000575853342 380748381 /nfs/dbraw/zinc/74/83/81/380748381.db2.gz WGFIPIDAWQTBIN-CQSZACIVSA-N 2 0 329.470 -0.845 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000342009490 380750342 /nfs/dbraw/zinc/75/03/42/380750342.db2.gz BELJOLHCMJCCTF-CABCVRRESA-N 2 0 340.468 -0.500 20 0 EBADRP COC(=O)C[C@H](C)N1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000374324434 380788535 /nfs/dbraw/zinc/78/85/35/380788535.db2.gz MDKZHQYCLYUUAY-LSDHHAIUSA-N 2 0 338.452 -0.528 20 0 EBADRP COCc1ccccc1CNC(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000580580169 380797687 /nfs/dbraw/zinc/79/76/87/380797687.db2.gz BVJJXEPVHXAEBW-JKSUJKDBSA-N 2 0 346.431 -0.307 20 0 EBADRP COCc1ccccc1CNC(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000580580167 380798295 /nfs/dbraw/zinc/79/82/95/380798295.db2.gz BVJJXEPVHXAEBW-HOTGVXAUSA-N 2 0 346.431 -0.307 20 0 EBADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)NC1C[NH2+]C1 ZINC000580633273 380805046 /nfs/dbraw/zinc/80/50/46/380805046.db2.gz WAUDYRTVXSPIGK-OAHLLOKOSA-N 2 0 330.432 -0.245 20 0 EBADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(=O)NC1C[NH2+]C1 ZINC000580633272 380805103 /nfs/dbraw/zinc/80/51/03/380805103.db2.gz WAUDYRTVXSPIGK-HNNXBMFYSA-N 2 0 330.432 -0.245 20 0 EBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)C1 ZINC000577600763 380831763 /nfs/dbraw/zinc/83/17/63/380831763.db2.gz DTYSJQQCDKTOLO-KLHDSHLOSA-N 2 0 334.464 -0.003 20 0 EBADRP COCCOC[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000577741465 380840051 /nfs/dbraw/zinc/84/00/51/380840051.db2.gz MKAHGDJZBQCOSX-MRXNPFEDSA-N 2 0 338.452 -0.053 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000417432242 380886864 /nfs/dbraw/zinc/88/68/64/380886864.db2.gz SNMPUIVVYILYDJ-ZIAGYGMSSA-N 2 0 325.457 -0.020 20 0 EBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCCC[NH2+]Cc3cccnc3)CCN2C1=O ZINC000578339278 380924212 /nfs/dbraw/zinc/92/42/12/380924212.db2.gz BVNSIERJASNMSA-CABCVRRESA-N 2 0 346.435 -0.485 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)NC[C@H]3C[NH2+]CCN3C)CC2)c1 ZINC000578970934 380961250 /nfs/dbraw/zinc/96/12/50/380961250.db2.gz HGESPRKMCFKPAN-CQSZACIVSA-N 2 0 348.451 -0.175 20 0 EBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)C[NH2+]CC2CC2)c1 ZINC000579239565 380977209 /nfs/dbraw/zinc/97/72/09/380977209.db2.gz CJTCMBIQWCPHTD-UHFFFAOYSA-N 2 0 326.422 -0.138 20 0 EBADRP C[NH2+][C@@H](C)C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000579258135 380979642 /nfs/dbraw/zinc/97/96/42/380979642.db2.gz CCGNKLCCZOAKSH-AWEZNQCLSA-N 2 0 339.484 -0.709 20 0 EBADRP C[C@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[N@H+](C)C1CC1 ZINC000417547962 380936697 /nfs/dbraw/zinc/93/66/97/380936697.db2.gz HNIJJEPPYDXQCT-CHWSQXEVSA-N 2 0 325.457 -0.034 20 0 EBADRP C[NH+]1CCC([C@H]2CCN(C(=O)NCC(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000578609522 380940366 /nfs/dbraw/zinc/94/03/66/380940366.db2.gz BSSJUKAFLYWUGM-HNNXBMFYSA-N 2 0 337.468 -0.209 20 0 EBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)c3ccc4c(c3)CC[NH2+]CC4)CCN2C1=O ZINC000578670124 380944390 /nfs/dbraw/zinc/94/43/90/380944390.db2.gz ZFJJJMMDQWFADE-HOTGVXAUSA-N 2 0 328.416 -0.241 20 0 EBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000579735444 381012331 /nfs/dbraw/zinc/01/23/31/381012331.db2.gz CBTQUKGZHARRHL-RRFJBIMHSA-N 2 0 338.452 -0.651 20 0 EBADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC[C@@H]1C[NH2+]CCO1 ZINC000579479414 380992085 /nfs/dbraw/zinc/99/20/85/380992085.db2.gz PBWPNLRSCJWTLT-HNNXBMFYSA-N 2 0 333.436 -0.302 20 0 EBADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)C[C@]1(C(=O)N2CC[C@H]([NH3+])[C@H]2C)CC[NH2+]C1 ZINC000343649743 381008694 /nfs/dbraw/zinc/00/86/94/381008694.db2.gz WTCBQDVWKMXUDC-MNLSVMLLSA-N 3 0 337.468 -0.748 20 0 EBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000580884183 381040842 /nfs/dbraw/zinc/04/08/42/381040842.db2.gz FHRUTXMWALCTCF-QLFBSQMISA-N 2 0 338.452 -0.434 20 0 EBADRP CC(C)[C@@H]([NH3+])CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000418398033 381122128 /nfs/dbraw/zinc/12/21/28/381122128.db2.gz DSFIOFHXZHHKRN-AWEZNQCLSA-N 2 0 325.457 -0.081 20 0 EBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000583802298 381141954 /nfs/dbraw/zinc/14/19/54/381141954.db2.gz OUWJELKGVCOORS-GJZGRUSLSA-N 2 0 337.468 -0.066 20 0 EBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000583763111 381135552 /nfs/dbraw/zinc/13/55/52/381135552.db2.gz QESKTAOPKXFYFF-OAHLLOKOSA-N 2 0 340.468 -0.423 20 0 EBADRP CC(C)[C@@H]([NH3+])CNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418405914 381214073 /nfs/dbraw/zinc/21/40/73/381214073.db2.gz LJFGZZLGMSGMHT-KBPBESRZSA-N 2 0 325.457 -0.177 20 0 EBADRP COC[C@]1(CNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)CCC[NH2+]1 ZINC000418639132 381254592 /nfs/dbraw/zinc/25/45/92/381254592.db2.gz PIIDEJHAJUDPLB-GOEBONIOSA-N 2 0 328.457 -0.099 20 0 EBADRP CCC[NH2+]CCNC(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000418488324 381243853 /nfs/dbraw/zinc/24/38/53/381243853.db2.gz KTAIIPAQTJIAPY-UHFFFAOYSA-N 2 0 325.457 -0.064 20 0 EBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)Cc1ccccc1 ZINC000418827250 381286739 /nfs/dbraw/zinc/28/67/39/381286739.db2.gz BZCUUJIEMNOQRU-OAHLLOKOSA-N 2 0 336.436 -0.945 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C[N@@H+]1C1CC1 ZINC000347960490 381297383 /nfs/dbraw/zinc/29/73/83/381297383.db2.gz HHIDYZNMXGTZLW-IPYPFGDCSA-N 2 0 337.468 -0.910 20 0 EBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000418855284 381306699 /nfs/dbraw/zinc/30/66/99/381306699.db2.gz URNNPCHUYFUMOL-HZPDHXFCSA-N 2 0 348.447 -0.538 20 0 EBADRP CN(CC[NH3+])C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418808136 381281700 /nfs/dbraw/zinc/28/17/00/381281700.db2.gz QNYBYSMMMIHURR-UHFFFAOYSA-N 2 0 340.468 -0.198 20 0 EBADRP C[C@@H](NC(=O)C[C@@H]1COCC[NH2+]1)C(=O)NCC[NH+]1CCCCC1 ZINC000564081930 381324140 /nfs/dbraw/zinc/32/41/40/381324140.db2.gz OFFGLDPGVZVYIN-ZIAGYGMSSA-N 2 0 326.441 -0.528 20 0 EBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000418879684 381326629 /nfs/dbraw/zinc/32/66/29/381326629.db2.gz NUUTTYHJGCJIAZ-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418882520 381330965 /nfs/dbraw/zinc/33/09/65/381330965.db2.gz ZBPFNOKIKKGDRQ-HZPDHXFCSA-N 2 0 348.447 -0.620 20 0 EBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000418929110 381342375 /nfs/dbraw/zinc/34/23/75/381342375.db2.gz VXXVAWFCNKPFTK-GJZGRUSLSA-N 2 0 342.484 -0.051 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)C1 ZINC000418920399 381342450 /nfs/dbraw/zinc/34/24/50/381342450.db2.gz KYHQVRKMBMKDHZ-RBSFLKMASA-N 2 0 340.468 -0.332 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000418920374 381340732 /nfs/dbraw/zinc/34/07/32/381340732.db2.gz KTSWBFPVKLYBQL-RRFJBIMHSA-N 2 0 340.468 -0.426 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000418927716 381341119 /nfs/dbraw/zinc/34/11/19/381341119.db2.gz SXFGJAHRXQHPFY-HUUCEWRRSA-N 2 0 340.468 -0.282 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000348019941 381312087 /nfs/dbraw/zinc/31/20/87/381312087.db2.gz QFCQYERTBNKAKZ-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000418930371 381343929 /nfs/dbraw/zinc/34/39/29/381343929.db2.gz XHJUVVIBMUTBHY-GJZGRUSLSA-N 2 0 340.468 -0.425 20 0 EBADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000419023476 381355358 /nfs/dbraw/zinc/35/53/58/381355358.db2.gz JPLHFVCGMSTZAE-KBPBESRZSA-N 2 0 342.484 -0.361 20 0 EBADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000419023478 381356643 /nfs/dbraw/zinc/35/66/43/381356643.db2.gz JPLHFVCGMSTZAE-ZIAGYGMSSA-N 2 0 342.484 -0.361 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000419041949 381364666 /nfs/dbraw/zinc/36/46/66/381364666.db2.gz HBBPOYXUSVQTPP-CQSZACIVSA-N 2 0 339.484 -0.484 20 0 EBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419084665 381364899 /nfs/dbraw/zinc/36/48/99/381364899.db2.gz YXWVCZITPVKMSD-LSDHHAIUSA-N 2 0 340.468 -0.057 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[C@H](C)[NH2+]1 ZINC000419182175 381403898 /nfs/dbraw/zinc/40/38/98/381403898.db2.gz LFJXZPZYRQQWQA-KBPBESRZSA-N 2 0 339.484 -0.663 20 0 EBADRP CCC[NH2+]CCNC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000419118501 381381993 /nfs/dbraw/zinc/38/19/93/381381993.db2.gz ANUMOSSVGKGSIX-HNNXBMFYSA-N 2 0 341.500 -0.510 20 0 EBADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419122523 381382678 /nfs/dbraw/zinc/38/26/78/381382678.db2.gz NPRBKXVAFSGKKP-CABCVRRESA-N 2 0 340.468 -0.138 20 0 EBADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)C(C)(C)C ZINC000419134492 381393000 /nfs/dbraw/zinc/39/30/00/381393000.db2.gz KCDSLTAAFCFJJR-QWHCGFSZSA-N 2 0 328.457 -0.345 20 0 EBADRP [NH3+]CCN(CCO)C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000419134798 381395203 /nfs/dbraw/zinc/39/52/03/381395203.db2.gz LAQPPTVLCXHIRR-INIZCTEOSA-N 2 0 348.447 -0.453 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[NH+]1CCC(C)CC1 ZINC000419145991 381397855 /nfs/dbraw/zinc/39/78/55/381397855.db2.gz HCEYUCKGKUHRNS-LSDHHAIUSA-N 2 0 340.468 -0.282 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000348763498 381400517 /nfs/dbraw/zinc/40/05/17/381400517.db2.gz NNCCONJHLNTHPU-CQSZACIVSA-N 2 0 340.468 -0.210 20 0 EBADRP CC1=CC[N@H+](CCNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000419225902 381401974 /nfs/dbraw/zinc/40/19/74/381401974.db2.gz PWKXRHHHGNYXAM-UONOGXRCSA-N 2 0 338.452 -0.016 20 0 EBADRP C[N@H+](CCCNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)C1CCCCC1 ZINC000419403837 381428773 /nfs/dbraw/zinc/42/87/73/381428773.db2.gz FJKZMMYNLHMABC-OAHLLOKOSA-N 2 0 340.468 -0.057 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000419537364 381450442 /nfs/dbraw/zinc/45/04/42/381450442.db2.gz NEAKSFQOAMVDGW-MGPQQGTHSA-N 2 0 326.441 -0.672 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419535025 381450632 /nfs/dbraw/zinc/45/06/32/381450632.db2.gz KQUXJSYMSVBFEU-ZIAGYGMSSA-N 2 0 326.441 -0.528 20 0 EBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000419501162 381440336 /nfs/dbraw/zinc/44/03/36/381440336.db2.gz AUKUSJSFCVYGIZ-MJBXVCDLSA-N 2 0 328.457 -0.202 20 0 EBADRP CC1CC[NH+](CCCCNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000419476666 381445650 /nfs/dbraw/zinc/44/56/50/381445650.db2.gz GTRAXRATIRJQMX-OAHLLOKOSA-N 2 0 340.468 -0.199 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419529540 381449179 /nfs/dbraw/zinc/44/91/79/381449179.db2.gz CWCPDEJMGSRULT-YOEHRIQHSA-N 2 0 340.468 -0.281 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000419724856 381480373 /nfs/dbraw/zinc/48/03/73/381480373.db2.gz HPLDSVLLIPVZTQ-CABCVRRESA-N 2 0 340.468 -0.153 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000419548127 381452912 /nfs/dbraw/zinc/45/29/12/381452912.db2.gz SJRUHXKLNVWVSO-RRFJBIMHSA-N 2 0 340.468 -0.058 20 0 EBADRP C[C@H](C[NH3+])NC(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000419666638 381466477 /nfs/dbraw/zinc/46/64/77/381466477.db2.gz WDPQIEDNUPMUJZ-CYBMUJFWSA-N 2 0 336.436 -0.251 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000419728263 381489547 /nfs/dbraw/zinc/48/95/47/381489547.db2.gz MNUJDKKZFJKRJA-KGLIPLIRSA-N 2 0 326.441 -0.543 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NCCC[NH3+])CC1 ZINC000419827707 381500446 /nfs/dbraw/zinc/50/04/46/381500446.db2.gz BPXDUWHOSONSOL-GASCZTMLSA-N 2 0 339.484 -0.532 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000420098650 381540036 /nfs/dbraw/zinc/54/00/36/381540036.db2.gz AZJZKBYFRJQVNS-LSDHHAIUSA-N 2 0 342.484 -0.083 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000420098646 381540419 /nfs/dbraw/zinc/54/04/19/381540419.db2.gz AZJZKBYFRJQVNS-GJZGRUSLSA-N 2 0 342.484 -0.083 20 0 EBADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000420115579 381542073 /nfs/dbraw/zinc/54/20/73/381542073.db2.gz KKMVQAFUKKNCEV-KGLIPLIRSA-N 2 0 328.457 -0.425 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000420150199 381549493 /nfs/dbraw/zinc/54/94/93/381549493.db2.gz WPWGCHMNNXAEBG-RBSFLKMASA-N 2 0 340.468 -0.330 20 0 EBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000419971399 381521258 /nfs/dbraw/zinc/52/12/58/381521258.db2.gz GHBHSGIUKKNCAK-CABCVRRESA-N 2 0 340.468 -0.343 20 0 EBADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000420031614 381532394 /nfs/dbraw/zinc/53/23/94/381532394.db2.gz SAEKYXPCALKBLV-CQSZACIVSA-N 2 0 340.468 -0.199 20 0 EBADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000420031065 381532792 /nfs/dbraw/zinc/53/27/92/381532792.db2.gz GYQUETDZOBROCN-YPMHNXCESA-N 2 0 326.441 -0.232 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000420029957 381532954 /nfs/dbraw/zinc/53/29/54/381532954.db2.gz FYLVFRBLBBVBJT-RWMBFGLXSA-N 2 0 326.441 -0.232 20 0 EBADRP CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420282553 381575903 /nfs/dbraw/zinc/57/59/03/381575903.db2.gz BPJQNKZSOSJJCF-AWEZNQCLSA-N 2 0 346.497 -0.540 20 0 EBADRP CN1CCN(C(=O)CC[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000420315851 381577860 /nfs/dbraw/zinc/57/78/60/381577860.db2.gz SAUMDIFYBNUXDH-HNNXBMFYSA-N 3 0 339.484 -0.530 20 0 EBADRP CCCN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C1CC[NH2+]CC1 ZINC000420307900 381578741 /nfs/dbraw/zinc/57/87/41/381578741.db2.gz CEFDDNGVIXQPAW-UHFFFAOYSA-N 2 0 337.424 -0.687 20 0 EBADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420189352 381564018 /nfs/dbraw/zinc/56/40/18/381564018.db2.gz DPEKBIJXKKTOLI-MGPQQGTHSA-N 2 0 326.441 -0.530 20 0 EBADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420189350 381564953 /nfs/dbraw/zinc/56/49/53/381564953.db2.gz DPEKBIJXKKTOLI-HZSPNIEDSA-N 2 0 326.441 -0.530 20 0 EBADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000420193336 381566708 /nfs/dbraw/zinc/56/67/08/381566708.db2.gz IPJQZKKZVSASRH-LSDHHAIUSA-N 2 0 338.452 -0.432 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000420201092 381568849 /nfs/dbraw/zinc/56/88/49/381568849.db2.gz NNKIVLHPGGSNMH-RDBSUJKOSA-N 2 0 326.441 -0.672 20 0 EBADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000420199969 381569669 /nfs/dbraw/zinc/56/96/69/381569669.db2.gz NQHARMXAPBPJPL-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000420210536 381570428 /nfs/dbraw/zinc/57/04/28/381570428.db2.gz HFLVMWOSRLQOOR-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]1CC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@@H]1C[NH3+] ZINC000420409337 381584475 /nfs/dbraw/zinc/58/44/75/381584475.db2.gz QMOVQRWPVSTNEN-OLZOCXBDSA-N 2 0 348.451 -0.260 20 0 EBADRP Cn1c2ncn(CC[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000351482062 381626342 /nfs/dbraw/zinc/62/63/42/381626342.db2.gz YNQQAMSYVZGCSA-TUAOUCFPSA-N 2 0 332.408 -0.897 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351524094 381637577 /nfs/dbraw/zinc/63/75/77/381637577.db2.gz PWTBXCNLLPZMME-UONOGXRCSA-N 2 0 326.441 -0.672 20 0 EBADRP CNC(=O)CN1CCC(NC(=O)C(C)(C)N2CCOCC2)CC1 ZINC000351496083 381630875 /nfs/dbraw/zinc/63/08/75/381630875.db2.gz YFFBDDZVBAARGF-UHFFFAOYSA-N 2 0 326.441 -0.576 20 0 EBADRP NS(=O)(=O)c1ccc(NC(=O)CN2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000351497877 381631322 /nfs/dbraw/zinc/63/13/22/381631322.db2.gz VEPFBGABZFWISO-LERXQTSPSA-N 2 0 338.433 -0.058 20 0 EBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000351539984 381638631 /nfs/dbraw/zinc/63/86/31/381638631.db2.gz NWPSFXAXBZXKKX-HNNXBMFYSA-N 2 0 338.452 -0.575 20 0 EBADRP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000572228468 381652437 /nfs/dbraw/zinc/65/24/37/381652437.db2.gz XKIJWRHIVHUCEN-HUUCEWRRSA-N 3 0 341.500 -0.558 20 0 EBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000572234646 381652638 /nfs/dbraw/zinc/65/26/38/381652638.db2.gz URAIEYBTVKZTFM-ZIAGYGMSSA-N 2 0 325.457 -0.970 20 0 EBADRP C[C@@H](C(=O)NC1CC1)N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262259010 381675098 /nfs/dbraw/zinc/67/50/98/381675098.db2.gz XLJCIOCFVSBFFM-AWEZNQCLSA-N 2 0 337.468 -0.907 20 0 EBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000332367418 381785830 /nfs/dbraw/zinc/78/58/30/381785830.db2.gz YUESLGNQLCTFCT-CQSZACIVSA-N 2 0 326.441 -0.670 20 0 EBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(CCOC)CC[NH+](C)C)C1 ZINC000612549317 381841113 /nfs/dbraw/zinc/84/11/13/381841113.db2.gz XGJCPXSWURBBHB-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[NH2+]1 ZINC000332521389 381806539 /nfs/dbraw/zinc/80/65/39/381806539.db2.gz AFHWNDUEQKKJFV-CQSZACIVSA-N 2 0 338.452 -0.623 20 0 EBADRP C[C@@H]1C[C@H](C[NH+]2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC[NH2+]1 ZINC000332552963 381812401 /nfs/dbraw/zinc/81/24/01/381812401.db2.gz QYTPXWMPHCGUBO-HUUCEWRRSA-N 2 0 338.452 -0.623 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CC[NH2+]1 ZINC000332556790 381812603 /nfs/dbraw/zinc/81/26/03/381812603.db2.gz SFPJVCCFIZTMJY-ZIAGYGMSSA-N 2 0 338.452 -0.482 20 0 EBADRP C[NH2+]CCNC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612916224 381876972 /nfs/dbraw/zinc/87/69/72/381876972.db2.gz XLEQHNRGNCNWQA-CYBMUJFWSA-N 2 0 335.456 -0.072 20 0 EBADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC000626880249 381913924 /nfs/dbraw/zinc/91/39/24/381913924.db2.gz VBBQKLWZEJFFRN-HNNXBMFYSA-N 2 0 334.420 -0.166 20 0 EBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000626899954 381926021 /nfs/dbraw/zinc/92/60/21/381926021.db2.gz SPGPTGIGFFNJBS-CYBMUJFWSA-N 2 0 332.404 -0.546 20 0 EBADRP C[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@H]1C[NH3+] ZINC000643509650 381928142 /nfs/dbraw/zinc/92/81/42/381928142.db2.gz DNFTVSSWPXXFMV-GJZGRUSLSA-N 3 0 341.500 -0.619 20 0 EBADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000430560145 382021504 /nfs/dbraw/zinc/02/15/04/382021504.db2.gz VJMANVUOSFHKMC-NEPJUHHUSA-N 2 0 334.424 -0.507 20 0 EBADRP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(OCCC[NH3+])CC2)CC1 ZINC000430567243 382021974 /nfs/dbraw/zinc/02/19/74/382021974.db2.gz ANZBZMKDNOJZPG-AWEZNQCLSA-N 2 0 340.468 -0.105 20 0 EBADRP COC[C@@H](C)NC(=O)NC(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000352774035 382030369 /nfs/dbraw/zinc/03/03/69/382030369.db2.gz UTEDRGNVJBKFMI-CQSZACIVSA-N 2 0 343.472 -0.584 20 0 EBADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000353463710 382148805 /nfs/dbraw/zinc/14/88/05/382148805.db2.gz WMLJAFZCOZDSAC-ZIAGYGMSSA-N 2 0 336.440 -0.113 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C[C@@H](C)O)C[C@@H]2C)C1 ZINC000353554935 382155756 /nfs/dbraw/zinc/15/57/56/382155756.db2.gz YGXPOKJPITTXBU-ZNMIVQPWSA-N 2 0 328.457 -0.196 20 0 EBADRP COC[C@@H]([NH3+])C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000354067439 382200700 /nfs/dbraw/zinc/20/07/00/382200700.db2.gz AXHPWFCJZJUVFN-CQSZACIVSA-N 2 0 336.440 -0.531 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)CC1 ZINC000343014343 285009097 /nfs/dbraw/zinc/00/90/97/285009097.db2.gz IGZJOUMHWCJAIJ-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000349211641 285055329 /nfs/dbraw/zinc/05/53/29/285055329.db2.gz HNMFXBSAXRYBKM-CQSZACIVSA-N 2 0 328.457 -0.195 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000347019899 285058667 /nfs/dbraw/zinc/05/86/67/285058667.db2.gz UJYKTRIEPAHTJS-UONOGXRCSA-N 2 0 341.456 -0.654 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000331377709 155365517 /nfs/dbraw/zinc/36/55/17/155365517.db2.gz HQYSHOFZPCLWFU-RBSFLKMASA-N 2 0 337.468 -0.909 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCSC1 ZINC000331605338 155385623 /nfs/dbraw/zinc/38/56/23/155385623.db2.gz HZSNTJUTYYMQID-XJKSGUPXSA-N 2 0 340.493 -0.154 20 0 EBADRP CNC(=O)[C@H]1CCCN1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000193977094 154160744 /nfs/dbraw/zinc/16/07/44/154160744.db2.gz IPOBUVBJVKRMAB-HUUCEWRRSA-N 2 0 340.468 -0.330 20 0 EBADRP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261652305 154195991 /nfs/dbraw/zinc/19/59/91/154195991.db2.gz JTDFSBUTGUUVOC-STQMWFEESA-N 2 0 339.440 -0.588 20 0 EBADRP CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000261681995 154196453 /nfs/dbraw/zinc/19/64/53/154196453.db2.gz IEBAROZKUOPQLD-KBPBESRZSA-N 2 0 346.497 -0.555 20 0 EBADRP [NH3+][C@@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1CCOCC1 ZINC000261868415 154203961 /nfs/dbraw/zinc/20/39/61/154203961.db2.gz SSKRYTABPKTZBU-MRXNPFEDSA-N 2 0 338.452 -0.493 20 0 EBADRP CS(=O)(=O)NCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261943366 154205872 /nfs/dbraw/zinc/20/58/72/154205872.db2.gz XSVBDPYJLHSCBO-QWHCGFSZSA-N 2 0 332.470 -0.884 20 0 EBADRP CCS(=O)(=O)N(C)C1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000261957812 154206070 /nfs/dbraw/zinc/20/60/70/154206070.db2.gz AIIDHQKQRMMVGQ-UHFFFAOYSA-N 2 0 346.497 -0.446 20 0 EBADRP NC(=O)NC(=O)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261962076 154206319 /nfs/dbraw/zinc/20/63/19/154206319.db2.gz XYHSSHNZOCYANL-NWDGAFQWSA-N 2 0 325.413 -0.848 20 0 EBADRP CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262156564 154214792 /nfs/dbraw/zinc/21/47/92/154214792.db2.gz PMYUYNJFYHTTOZ-AWEZNQCLSA-N 2 0 346.497 -0.398 20 0 EBADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)CNC(=O)C[NH3+])cc2)C[C@@H](C)O1 ZINC000262175358 154217278 /nfs/dbraw/zinc/21/72/78/154217278.db2.gz RDDZQKODEQQSEC-ZIAGYGMSSA-N 2 0 348.447 -0.013 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000343016548 156086023 /nfs/dbraw/zinc/08/60/23/156086023.db2.gz URRFFXXVOSIHFO-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000343889981 156181513 /nfs/dbraw/zinc/18/15/13/156181513.db2.gz MCNIUYSQWRBRRV-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C2=CC[NH+](C)CC2)C1 ZINC000343898667 156183887 /nfs/dbraw/zinc/18/38/87/156183887.db2.gz ZVYPDGNCQWJQPW-HIFRSBDPSA-N 2 0 338.452 -0.410 20 0 EBADRP C[C@@H]1C[N@H+](C[C@H](O)CN2CCOCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343916138 156186805 /nfs/dbraw/zinc/18/68/05/156186805.db2.gz AZCMYAUAAARBKV-KZNAEPCWSA-N 2 0 340.512 -0.363 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000343917630 156188411 /nfs/dbraw/zinc/18/84/11/156188411.db2.gz QPUSDIMZNSVXNZ-SOUVJXGZSA-N 2 0 340.468 -0.236 20 0 EBADRP C[C@H]1CN(CCN2CCCS2(=O)=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343980250 156195412 /nfs/dbraw/zinc/19/54/12/156195412.db2.gz MGYKXZIAASQYOO-JKSUJKDBSA-N 2 0 344.525 -0.020 20 0 EBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000344643479 156250918 /nfs/dbraw/zinc/25/09/18/156250918.db2.gz VRNXSVKKJULECG-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@H](CNC(=O)C(=O)NCCOCC[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000356413670 157065364 /nfs/dbraw/zinc/06/53/64/157065364.db2.gz DZUYCKIBDMGVBJ-OAHLLOKOSA-N 2 0 342.484 -0.083 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000356543077 157077111 /nfs/dbraw/zinc/07/71/11/157077111.db2.gz GWZVMZGGGCHVOA-HNNXBMFYSA-N 2 0 342.484 -0.083 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C)CC[C@@H]1C ZINC000357582021 157154928 /nfs/dbraw/zinc/15/49/28/157154928.db2.gz SCLSPBJUYOSSGA-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000357583840 157158758 /nfs/dbraw/zinc/15/87/58/157158758.db2.gz VWDVEWJMYYBEKK-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000358564745 157261730 /nfs/dbraw/zinc/26/17/30/157261730.db2.gz SSYVJDNYWHYALU-QWHCGFSZSA-N 2 0 326.441 -0.578 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NCC[NH+]1CC=C(C)CC1 ZINC000358574935 157262805 /nfs/dbraw/zinc/26/28/05/157262805.db2.gz PQQTWJDIMAEUTB-UHFFFAOYSA-N 2 0 326.441 -0.551 20 0 EBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000359261049 157306794 /nfs/dbraw/zinc/30/67/94/157306794.db2.gz JHGBAXNFEFMODH-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000360274654 157370400 /nfs/dbraw/zinc/37/04/00/157370400.db2.gz ZERQOKLHLHEWSL-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000360277566 157372199 /nfs/dbraw/zinc/37/21/99/157372199.db2.gz DIPZUVJAAYEDBA-UHFFFAOYSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000360278389 157372465 /nfs/dbraw/zinc/37/24/65/157372465.db2.gz IWAYSNNMKUCPAS-GXTWGEPZSA-N 2 0 326.441 -0.720 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419551275 419015520 /nfs/dbraw/zinc/01/55/20/419015520.db2.gz XJSZHOMCGQUHKV-HZSPNIEDSA-N 2 0 326.441 -0.401 20 0 EBADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419900741 419021692 /nfs/dbraw/zinc/02/16/92/419021692.db2.gz STDCWGNRYVTYGN-KGLIPLIRSA-N 2 0 328.457 -0.153 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000410436418 419029030 /nfs/dbraw/zinc/02/90/30/419029030.db2.gz RKRRXAZAAKBXDQ-CQSZACIVSA-N 2 0 328.457 -0.424 20 0 EBADRP C[C@@H](O)CN1CCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)CC1 ZINC000410471336 419030870 /nfs/dbraw/zinc/03/08/70/419030870.db2.gz GBJKZHBOGSSLKW-UONOGXRCSA-N 2 0 326.441 -0.936 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000410501634 419034489 /nfs/dbraw/zinc/03/44/89/419034489.db2.gz DHFCBBRSNQDPKL-UHFFFAOYSA-N 2 0 342.484 -0.177 20 0 EBADRP CC[NH+](CC)CCN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CCS(=O)(=O)C1 ZINC000648149363 418983242 /nfs/dbraw/zinc/98/32/42/418983242.db2.gz WVJLNCGYOBHHOF-KBXIAJHMSA-N 2 0 343.493 -0.191 20 0 EBADRP CC[NH+](CC)CCN(C(=O)COCC[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000648149285 418983955 /nfs/dbraw/zinc/98/39/55/418983955.db2.gz HWFGNFPJQVCXLN-ZDUSSCGKSA-N 2 0 335.470 -0.681 20 0 EBADRP CN(CC(=O)N1CC[NH2+]CC1)CC(=O)N1CCc2ccccc2C1 ZINC000261968850 418999483 /nfs/dbraw/zinc/99/94/83/418999483.db2.gz YQPARMCCXCCLND-UHFFFAOYSA-N 2 0 330.432 -0.065 20 0 EBADRP CC[N@H+](CCNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C1CC1 ZINC000650818752 419081911 /nfs/dbraw/zinc/08/19/11/419081911.db2.gz WVNKTCHQQLFXTR-UHFFFAOYSA-N 2 0 325.457 -0.114 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000659024757 419066317 /nfs/dbraw/zinc/06/63/17/419066317.db2.gz JFWZUUFHTPWDEM-SECBINFHSA-N 2 0 327.351 -0.463 20 0 EBADRP C[N@H+](C[C@H](O)CN[C@@H]1CC[NH+](CCN2CCOCC2)C1)C1CC1 ZINC000644569757 419169102 /nfs/dbraw/zinc/16/91/02/419169102.db2.gz UNWUUZPFORBIBD-NVXWUHKLSA-N 2 0 326.485 -0.562 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000644598271 419171524 /nfs/dbraw/zinc/17/15/24/419171524.db2.gz ISMIYAWZWICTRU-IRXDYDNUSA-N 2 0 338.496 -0.025 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000651263871 419183933 /nfs/dbraw/zinc/18/39/33/419183933.db2.gz PXMIVHFBXYPSDM-UHFFFAOYSA-N 2 0 338.456 -0.667 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)cn1 ZINC000652642205 419243890 /nfs/dbraw/zinc/24/38/90/419243890.db2.gz SLFWPDIBUMDJRY-UHFFFAOYSA-N 2 0 336.440 -0.029 20 0 EBADRP CN(CC1C[NH+](C)C1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000660585431 419251733 /nfs/dbraw/zinc/25/17/33/419251733.db2.gz QXHKXLLVISMZMM-CQSZACIVSA-N 2 0 325.457 -0.223 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652684598 419253329 /nfs/dbraw/zinc/25/33/29/419253329.db2.gz SDASDEBVPRRZRC-ZDUSSCGKSA-N 2 0 326.441 -0.541 20 0 EBADRP COC[C@@H]1C[C@H](O)CN1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000411917482 419297815 /nfs/dbraw/zinc/29/78/15/419297815.db2.gz CLMTXGZILPZJEC-HRCADAONSA-N 2 0 343.468 -0.459 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000645241897 419301765 /nfs/dbraw/zinc/30/17/65/419301765.db2.gz JDMJKDDJPRFDNU-AWEZNQCLSA-N 2 0 343.472 -0.284 20 0 EBADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCCC2(C[NH3+])CC2)C[C@H](C)O1 ZINC000652713804 419304964 /nfs/dbraw/zinc/30/49/64/419304964.db2.gz XWKWKKYREARNBX-KBPBESRZSA-N 2 0 340.468 -0.153 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000340213162 419336688 /nfs/dbraw/zinc/33/66/88/419336688.db2.gz NLKNLVQJCYSKKT-HNNXBMFYSA-N 2 0 342.484 -0.129 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C[C@H]1C[NH3+] ZINC000652736878 419351303 /nfs/dbraw/zinc/35/13/03/419351303.db2.gz RWPSRHMOOZRRNB-RBSFLKMASA-N 2 0 336.436 -0.719 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000340484515 419359920 /nfs/dbraw/zinc/35/99/20/419359920.db2.gz OGZQZRBBCQAUPE-QLFBSQMISA-N 2 0 338.452 -0.434 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000340799229 419382449 /nfs/dbraw/zinc/38/24/49/419382449.db2.gz NAEJZWONTCZKKR-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000647997517 419463587 /nfs/dbraw/zinc/46/35/87/419463587.db2.gz JUSQVSMBRGALGH-ZDUSSCGKSA-N 2 0 336.358 -0.191 20 0 EBADRP CC(C)[C@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)N1CCOCC1 ZINC000519697267 419535725 /nfs/dbraw/zinc/53/57/25/419535725.db2.gz GGTQLZPQHAPHSF-SJORKVTESA-N 2 0 328.501 -0.459 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000358564650 419676907 /nfs/dbraw/zinc/67/69/07/419676907.db2.gz SDQWYIOONCCOJD-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCOCC[NH+](C)C)CC[N@@H+]1C ZINC000360278431 419687563 /nfs/dbraw/zinc/68/75/63/419687563.db2.gz JRPNRNUODXFXTM-UONOGXRCSA-N 2 0 328.457 -0.378 20 0 EBADRP CN(C[C@@H]1CCCO1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000514659015 419645017 /nfs/dbraw/zinc/64/50/17/419645017.db2.gz PKIAEBRCKXRKOT-AWEZNQCLSA-N 2 0 328.457 -0.424 20 0 EBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659707039 419766955 /nfs/dbraw/zinc/76/69/55/419766955.db2.gz FXJGPBBSNFHWLW-UHFFFAOYSA-N 2 0 338.412 -0.895 20 0 EBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000659710755 419773871 /nfs/dbraw/zinc/77/38/71/419773871.db2.gz UFUXBDVZZOHRSG-LSDHHAIUSA-N 2 0 341.500 -0.524 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CCO1 ZINC000659714083 419782246 /nfs/dbraw/zinc/78/22/46/419782246.db2.gz UTYUEMBLCBVYAZ-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP CN(CC[NH3+])C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659731122 419799622 /nfs/dbraw/zinc/79/96/22/419799622.db2.gz YSKNQCPSPYTAPY-UHFFFAOYSA-N 2 0 333.436 -0.173 20 0 EBADRP COCC[N@H+](C)C[C@@H](O)CN1CCC([NH+]2CCC[C@H]2C(N)=O)CC1 ZINC000653588188 419802151 /nfs/dbraw/zinc/80/21/51/419802151.db2.gz JBDWNXPJMGMNDS-CVEARBPZSA-N 2 0 342.484 -0.660 20 0 EBADRP CCC[NH2+]CCNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000419917658 419817651 /nfs/dbraw/zinc/81/76/51/419817651.db2.gz HTWBZGCGFADZTJ-ZIAGYGMSSA-N 2 0 328.457 -0.282 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419949027 419830039 /nfs/dbraw/zinc/83/00/39/419830039.db2.gz KSMNYAOTTMYVJJ-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000420051060 419834525 /nfs/dbraw/zinc/83/45/25/419834525.db2.gz ZXCVDZSWKRULLB-CABCVRRESA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000420050618 419835993 /nfs/dbraw/zinc/83/59/93/419835993.db2.gz ZHCKPCGYENFSBH-FRRDWIJNSA-N 2 0 326.441 -0.232 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000420024704 419838710 /nfs/dbraw/zinc/83/87/10/419838710.db2.gz ZBWMEVMBBGKWDA-HZSPNIEDSA-N 2 0 328.457 -0.299 20 0 EBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NCC(C)(C)N1CCOCC1 ZINC000420807834 419852451 /nfs/dbraw/zinc/85/24/51/419852451.db2.gz CJKSJRMECOVABD-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CCO1 ZINC000659720881 419793305 /nfs/dbraw/zinc/79/33/05/419793305.db2.gz AMBFVPUVKCJGEG-OAHLLOKOSA-N 2 0 338.452 -0.409 20 0 EBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000262406968 419862819 /nfs/dbraw/zinc/86/28/19/419862819.db2.gz QETFKNLTRVDZQJ-CYBMUJFWSA-N 2 0 331.482 -0.047 20 0 EBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000423206080 419923005 /nfs/dbraw/zinc/92/30/05/419923005.db2.gz FTAWJXBOJJYEKV-KBPBESRZSA-N 2 0 326.441 -0.624 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000423205298 419923207 /nfs/dbraw/zinc/92/32/07/419923207.db2.gz FEEMWHRTDPKLEA-ILXRZTDVSA-N 2 0 340.468 -0.249 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000423209269 419923684 /nfs/dbraw/zinc/92/36/84/419923684.db2.gz IUUPWPVUZMXSQP-GASCZTMLSA-N 2 0 339.484 -0.580 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)CC[NH2+]1 ZINC000423195600 419923967 /nfs/dbraw/zinc/92/39/67/419923967.db2.gz ZPQUKGZDHWTDBY-KGLIPLIRSA-N 2 0 338.452 -0.482 20 0 EBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423065644 419919143 /nfs/dbraw/zinc/91/91/43/419919143.db2.gz VEAJEFXOPWWVHS-AWEZNQCLSA-N 2 0 328.457 -0.391 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423265060 419931352 /nfs/dbraw/zinc/93/13/52/419931352.db2.gz QPYPMHWHSAWHDO-KBPBESRZSA-N 2 0 326.441 -0.767 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C[C@@H](C)[NH2+]1 ZINC000423289870 419934775 /nfs/dbraw/zinc/93/47/75/419934775.db2.gz BUYOAIBAACBDEA-ZIAGYGMSSA-N 2 0 340.468 -0.236 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423211714 419924985 /nfs/dbraw/zinc/92/49/85/419924985.db2.gz LFXQSMUUSJHOQG-OAHLLOKOSA-N 2 0 340.468 -0.247 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000423262670 419926331 /nfs/dbraw/zinc/92/63/31/419926331.db2.gz NCRYASCLOCNRJJ-CABCVRRESA-N 2 0 342.484 -0.001 20 0 EBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000645978181 420531849 /nfs/dbraw/zinc/53/18/49/420531849.db2.gz WGXBXOSFFOTOKH-DZGCQCFKSA-N 2 0 337.468 -0.861 20 0 EBADRP COC[C@@]1(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC[NH2+]C1 ZINC000646009562 420531949 /nfs/dbraw/zinc/53/19/49/420531949.db2.gz STIUFJXLJVBSJR-NVXWUHKLSA-N 2 0 340.468 -0.865 20 0 EBADRP O=C(C[NH2+]C[C@H]1CCCO1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009487 420532533 /nfs/dbraw/zinc/53/25/33/420532533.db2.gz NALKOIMLVCZIOX-HZPDHXFCSA-N 2 0 340.468 -0.722 20 0 EBADRP C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[NH+]1CCCC1 ZINC000533456769 420588583 /nfs/dbraw/zinc/58/85/83/420588583.db2.gz AVBLKDQBTUBJKX-ZDUSSCGKSA-N 2 0 336.440 -0.016 20 0 EBADRP COC(=O)N1CCC(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000496473517 420635150 /nfs/dbraw/zinc/63/51/50/420635150.db2.gz WBXWQMPTHGLBJJ-HNNXBMFYSA-N 2 0 328.457 -0.337 20 0 EBADRP CNC(=O)[C@]1(C(F)(F)F)CCN(C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000653777187 420668211 /nfs/dbraw/zinc/66/82/11/420668211.db2.gz KLBBQPKNGHUOSI-YPMHNXCESA-N 2 0 341.374 -0.074 20 0 EBADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1(C)C ZINC000646667627 420682223 /nfs/dbraw/zinc/68/22/23/420682223.db2.gz YKJYSUSOVUYPNT-PBFPGSCMSA-N 2 0 340.468 -0.168 20 0 EBADRP O=C(NC[C@@H]1CCC[NH2+]C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529328316 420761342 /nfs/dbraw/zinc/76/13/42/420761342.db2.gz GFTDDOUUOOCQAN-CQSZACIVSA-N 2 0 338.456 -0.662 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529344065 420763858 /nfs/dbraw/zinc/76/38/58/420763858.db2.gz ZFGOSEWHFXRWIG-KGLIPLIRSA-N 2 0 338.456 -0.663 20 0 EBADRP CN1CC[NH2+]C[C@H]1CNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529341210 420763873 /nfs/dbraw/zinc/76/38/73/420763873.db2.gz PRBJZUJNEPYXIF-HNNXBMFYSA-N 2 0 339.484 -0.214 20 0 EBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NC[C@@H]3COCC[NH2+]3)CC2)C1 ZINC000529381204 420764348 /nfs/dbraw/zinc/76/43/48/420764348.db2.gz QNOJSXZYOOCVRM-HUUCEWRRSA-N 2 0 325.457 -0.604 20 0 EBADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529391022 420764417 /nfs/dbraw/zinc/76/44/17/420764417.db2.gz XBLWSLRJAQFSTG-KFWWJZLASA-N 2 0 326.441 -0.097 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000236839278 420736464 /nfs/dbraw/zinc/73/64/64/420736464.db2.gz JFEXARWMLFOICR-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000654906941 420844507 /nfs/dbraw/zinc/84/45/07/420844507.db2.gz IJKDPSCDARALOV-JKSUJKDBSA-N 2 0 346.431 -0.036 20 0 EBADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)COC2(C)C[NH2+]C2)cc1 ZINC000649328162 420801802 /nfs/dbraw/zinc/80/18/02/420801802.db2.gz ZSAZPPTWOJCJRH-UHFFFAOYSA-N 2 0 348.447 -0.027 20 0 EBADRP C[NH+]1CCN(c2ccc(CNC(=O)COC3(C)C[NH2+]C3)cn2)CC1 ZINC000649350089 420804804 /nfs/dbraw/zinc/80/48/04/420804804.db2.gz DBAWZEISLQSDJB-UHFFFAOYSA-N 2 0 333.436 -0.172 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@@H](CO)NC(=O)[C@@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC000649473795 420810035 /nfs/dbraw/zinc/81/00/35/420810035.db2.gz INQPNFMSEMRWQA-RRFJBIMHSA-N 2 0 344.500 -0.248 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000564792877 420812267 /nfs/dbraw/zinc/81/22/67/420812267.db2.gz DHBRGNLPRLWVGP-HOTGVXAUSA-N 2 0 334.468 -0.357 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CCCO1 ZINC000654545709 420833115 /nfs/dbraw/zinc/83/31/15/420833115.db2.gz CHRLLWVAIWWIMD-HRCADAONSA-N 2 0 340.468 -0.052 20 0 EBADRP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)C1=O ZINC000656478783 420896850 /nfs/dbraw/zinc/89/68/50/420896850.db2.gz QOJCESNWNFBHKM-MCIONIFRSA-N 2 0 336.436 -0.334 20 0 EBADRP C[NH+](C)CCCN1C(=O)C[C@H](N2CCN([C@@H]3CCOC3)CC2)C1=O ZINC000656477322 420897992 /nfs/dbraw/zinc/89/79/92/420897992.db2.gz FWJBIZMIHFHOEC-CABCVRRESA-N 2 0 338.452 -0.528 20 0 EBADRP CCC[NH2+]CCNC(=O)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656021751 420866282 /nfs/dbraw/zinc/86/62/82/420866282.db2.gz IXZIEVFAWTUOMO-MELADBBJSA-N 2 0 328.457 -0.284 20 0 EBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656023081 420866636 /nfs/dbraw/zinc/86/66/36/420866636.db2.gz UOBSWKMUQOQOHA-KBXIAJHMSA-N 2 0 340.468 -0.141 20 0 EBADRP C[C@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656022392 420867241 /nfs/dbraw/zinc/86/72/41/420867241.db2.gz YBJMYQYDRARYHR-UPJWGTAASA-N 2 0 326.441 -0.532 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656020622 420867269 /nfs/dbraw/zinc/86/72/69/420867269.db2.gz SZTVWTZQSAAHJG-UPJWGTAASA-N 2 0 326.441 -0.532 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656039520 420869028 /nfs/dbraw/zinc/86/90/28/420869028.db2.gz BWMUSUQSWZNLBB-KHMAMNHCSA-N 2 0 340.468 -0.191 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656039851 420869233 /nfs/dbraw/zinc/86/92/33/420869233.db2.gz IYICGTKZYAFVEB-ZJOBFFGXSA-N 2 0 340.468 -0.202 20 0 EBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000656298597 420887863 /nfs/dbraw/zinc/88/78/63/420887863.db2.gz ISGJWKMDZOQWLV-DVOMOZLQSA-N 2 0 342.509 -0.004 20 0 EBADRP C[C@H](NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C(C)(C)C[NH+](C)C ZINC000656322453 420890982 /nfs/dbraw/zinc/89/09/82/420890982.db2.gz RKSIYBDIVDKIIR-MELADBBJSA-N 2 0 340.468 -0.644 20 0 EBADRP C[NH+](C)C1CCC(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656341290 420893206 /nfs/dbraw/zinc/89/32/06/420893206.db2.gz ZAAGAAUSCMNITE-PFSRBDOWSA-N 2 0 338.452 -0.747 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)C[C@@H]21 ZINC000657870196 420936177 /nfs/dbraw/zinc/93/61/77/420936177.db2.gz GXBYRMWBEZQSHS-ZBFHGGJFSA-N 2 0 343.431 -0.107 20 0 EBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529306408 420949175 /nfs/dbraw/zinc/94/91/75/420949175.db2.gz NUVAAAOFGGGJGA-AWEZNQCLSA-N 2 0 341.456 -0.783 20 0 EBADRP CC[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000659318764 420997010 /nfs/dbraw/zinc/99/70/10/420997010.db2.gz YAUZRHOPTXKHOB-AWEZNQCLSA-N 2 0 328.457 -0.424 20 0 EBADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000659612003 421006413 /nfs/dbraw/zinc/00/64/13/421006413.db2.gz VJIITCFYMIETOJ-KBPBESRZSA-N 2 0 325.457 -0.033 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659616279 421007266 /nfs/dbraw/zinc/00/72/66/421007266.db2.gz FCHZDZZBHRGHMV-UHFFFAOYSA-N 2 0 337.468 -0.066 20 0 EBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)n1 ZINC000659629059 421007744 /nfs/dbraw/zinc/00/77/44/421007744.db2.gz CQOYMAMTHBVYNY-GFCCVEGCSA-N 2 0 338.412 -0.713 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000659679102 421013246 /nfs/dbraw/zinc/01/32/46/421013246.db2.gz DJWVYNAQZVRCAR-KBPBESRZSA-N 2 0 340.468 -0.324 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659701180 421015957 /nfs/dbraw/zinc/01/59/57/421015957.db2.gz XREYADGVMBTTLD-KFWWJZLASA-N 2 0 340.468 -0.201 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC[C@H]1F ZINC000659707663 421017475 /nfs/dbraw/zinc/01/74/75/421017475.db2.gz HHDMSJZNJCATDW-ZIAGYGMSSA-N 2 0 326.416 -0.125 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659711254 421018187 /nfs/dbraw/zinc/01/81/87/421018187.db2.gz YMXSOIHJNMQMBW-KBPBESRZSA-N 2 0 327.473 -0.900 20 0 EBADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000659730827 421024624 /nfs/dbraw/zinc/02/46/24/421024624.db2.gz ZWUFSGAMDWDXCL-OAHLLOKOSA-N 2 0 338.452 -0.671 20 0 EBADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659730499 421024863 /nfs/dbraw/zinc/02/48/63/421024863.db2.gz XLJMCSWKCKMYRE-DZGCQCFKSA-N 2 0 338.452 -0.386 20 0 EBADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659738877 421025947 /nfs/dbraw/zinc/02/59/47/421025947.db2.gz JWGGFGNRQCXZGD-GJZGRUSLSA-N 2 0 338.452 -0.304 20 0 EBADRP CN(CC[NH3+])C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659746731 421027757 /nfs/dbraw/zinc/02/77/57/421027757.db2.gz PSLYOFJBCCNXQY-INIZCTEOSA-N 2 0 347.463 -0.664 20 0 EBADRP [NH3+]CC(=O)NCC(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000662695717 421097303 /nfs/dbraw/zinc/09/73/03/421097303.db2.gz PGMDYYCKOQMYLS-UHFFFAOYSA-N 2 0 345.447 -0.468 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662716747 421097643 /nfs/dbraw/zinc/09/76/43/421097643.db2.gz WIXRDHJDOKQOTJ-KBPBESRZSA-N 2 0 326.441 -0.637 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662716751 421097718 /nfs/dbraw/zinc/09/77/18/421097718.db2.gz WIXRDHJDOKQOTJ-UONOGXRCSA-N 2 0 326.441 -0.637 20 0 EBADRP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCO[C@@H]3C[NH3+])cn2)CC1 ZINC000662756619 421099167 /nfs/dbraw/zinc/09/91/67/421099167.db2.gz JDSMPPRODZJZNC-HUUCEWRRSA-N 2 0 333.436 -0.187 20 0 EBADRP CN(C(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900721 421106080 /nfs/dbraw/zinc/10/60/80/421106080.db2.gz OTKCBASTKCDWGD-ZVZYQTTQSA-N 2 0 336.480 -0.151 20 0 EBADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)C1(n2cccn2)CC[NH2+]CC1 ZINC000662905847 421107469 /nfs/dbraw/zinc/10/74/69/421107469.db2.gz GSRLEIYMDJZWJB-HNNXBMFYSA-N 2 0 332.452 -0.532 20 0 EBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CCC[NH3+] ZINC000662937004 421112521 /nfs/dbraw/zinc/11/25/21/421112521.db2.gz DOIOCKHPOLUBAB-CYBMUJFWSA-N 2 0 326.441 -0.495 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)[C@H](C)C[NH2+]1 ZINC000662952086 421116754 /nfs/dbraw/zinc/11/67/54/421116754.db2.gz XESHSHMVWJCUCA-KFWWJZLASA-N 2 0 340.468 -0.236 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CCO1 ZINC000662955115 421117256 /nfs/dbraw/zinc/11/72/56/421117256.db2.gz PGZUDFCLLQBRMR-UONOGXRCSA-N 2 0 326.441 -0.637 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC([NH3+])CC2)CCO1 ZINC000662969134 421118731 /nfs/dbraw/zinc/11/87/31/421118731.db2.gz LCCRPNJTNJOHHX-CQSZACIVSA-N 2 0 326.441 -0.495 20 0 EBADRP O=C(NCC[NH+]1CCCOCC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664959434 421167221 /nfs/dbraw/zinc/16/72/21/421167221.db2.gz ZJEZKYKLKCKOPF-INIZCTEOSA-N 2 0 340.468 -0.051 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)n1 ZINC000371533128 421192354 /nfs/dbraw/zinc/19/23/54/421192354.db2.gz DNQPVJQZUOORCR-KBPBESRZSA-N 2 0 348.451 -0.064 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)n1 ZINC000567822410 421194644 /nfs/dbraw/zinc/19/46/44/421194644.db2.gz VAKSRLUCDNWTIH-LBPRGKRZSA-N 2 0 332.412 0.041 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC2CC[NH2+]CC2)CC1 ZINC000418308785 264825392 /nfs/dbraw/zinc/82/53/92/264825392.db2.gz MZBSDZWKQAFIBN-UHFFFAOYSA-N 2 0 325.457 -0.066 20 0 EBADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419532768 264876536 /nfs/dbraw/zinc/87/65/36/264876536.db2.gz NLUGZPCZUWFHQN-HOCLYGCPSA-N 2 0 348.447 -0.597 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000419730382 264885191 /nfs/dbraw/zinc/88/51/91/264885191.db2.gz PTOQAJVGFHRDDR-MJBXVCDLSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)C[C@H](C)[NH2+]1 ZINC000423677258 265031321 /nfs/dbraw/zinc/03/13/21/265031321.db2.gz JSSGMDWFXXOIPF-GASCZTMLSA-N 2 0 341.500 -0.463 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)C[C@H](C)[NH2+]1 ZINC000423677260 265031734 /nfs/dbraw/zinc/03/17/34/265031734.db2.gz JSSGMDWFXXOIPF-GJZGRUSLSA-N 2 0 341.500 -0.463 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000423694315 265033754 /nfs/dbraw/zinc/03/37/54/265033754.db2.gz ARYBWLOBQGAHIJ-KBPBESRZSA-N 2 0 328.457 -0.249 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000423744986 265040324 /nfs/dbraw/zinc/04/03/24/265040324.db2.gz MBHHHELHQDGQKQ-HIFRSBDPSA-N 2 0 328.457 -0.345 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2C[NH2+]CCO2)CC1=O ZINC000423984073 265045099 /nfs/dbraw/zinc/04/50/99/265045099.db2.gz BIAMUQSFKUFIQZ-RBSFLKMASA-N 2 0 338.452 -0.576 20 0 EBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000424064320 265048557 /nfs/dbraw/zinc/04/85/57/265048557.db2.gz ZDIQRVAUGVXZNV-OLZOCXBDSA-N 2 0 348.451 -0.196 20 0 EBADRP CC[C@@H](C(=O)N[C@@H]1CC(=O)N(CC[N@H+](C)CCOC)C1)[NH+](C)C ZINC000425311129 265091448 /nfs/dbraw/zinc/09/14/48/265091448.db2.gz FPSITSPDOJIFPQ-KGLIPLIRSA-N 2 0 328.457 -0.378 20 0 EBADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCC[C@@H](C[NH3+])C1)c(=O)n2C ZINC000430618380 265150082 /nfs/dbraw/zinc/15/00/82/265150082.db2.gz TVPZBUPKSCRRJA-LBPRGKRZSA-N 2 0 334.424 -0.506 20 0 EBADRP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430627264 265151042 /nfs/dbraw/zinc/15/10/42/265151042.db2.gz MZBIGNUBYJAPCD-QWHCGFSZSA-N 2 0 341.456 -0.356 20 0 EBADRP C[C@H](C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)CS(C)(=O)=O ZINC000430639481 265151972 /nfs/dbraw/zinc/15/19/72/265151972.db2.gz FXAIEGDRPMOSPX-ZIAGYGMSSA-N 2 0 331.482 -0.189 20 0 EBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)CS(C)(=O)=O ZINC000430639480 265152412 /nfs/dbraw/zinc/15/24/12/265152412.db2.gz FXAIEGDRPMOSPX-UONOGXRCSA-N 2 0 331.482 -0.189 20 0 EBADRP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430643617 265152670 /nfs/dbraw/zinc/15/26/70/265152670.db2.gz XONLJSJPCDFSKP-MGPQQGTHSA-N 2 0 326.441 -0.543 20 0 EBADRP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000430647880 265152923 /nfs/dbraw/zinc/15/29/23/265152923.db2.gz QQVFGKXFNBXQIT-GJZGRUSLSA-N 2 0 339.484 -0.674 20 0 EBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000430895037 265156709 /nfs/dbraw/zinc/15/67/09/265156709.db2.gz RNIRJWKMRILAED-KGLIPLIRSA-N 2 0 326.441 -0.541 20 0 EBADRP COCC[C@]1(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC[NH2+]C1 ZINC000430888684 265157230 /nfs/dbraw/zinc/15/72/30/265157230.db2.gz IQBNAIYEBPDEMP-WMLDXEAASA-N 2 0 340.468 -0.294 20 0 EBADRP COCC[C@]1(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC[NH2+]C1 ZINC000430896611 265157244 /nfs/dbraw/zinc/15/72/44/265157244.db2.gz IKXPPFAFFJXKBG-CZUORRHYSA-N 2 0 326.441 -0.541 20 0 EBADRP CN(CCCNC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1)S(C)(=O)=O ZINC000443055887 265337291 /nfs/dbraw/zinc/33/72/91/265337291.db2.gz BXGODOHGGYBZJX-CYBMUJFWSA-N 2 0 334.486 -0.555 20 0 EBADRP Cn1c2ncn(CC[N@@H+]3CCC[C@@H](CC[NH3+])C3)c2c(=O)n(C)c1=O ZINC000443059248 265337511 /nfs/dbraw/zinc/33/75/11/265337511.db2.gz MCUVKNLVKDELJR-LBPRGKRZSA-N 2 0 334.424 -0.506 20 0 EBADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1(C)C ZINC000444178042 265359058 /nfs/dbraw/zinc/35/90/58/265359058.db2.gz VEKRSFOHOFAUGK-XNJGSVPQSA-N 2 0 340.468 -0.025 20 0 EBADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)C1(C)C ZINC000444178041 265359892 /nfs/dbraw/zinc/35/98/92/265359892.db2.gz VEKRSFOHOFAUGK-PBFPGSCMSA-N 2 0 340.468 -0.025 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CN1CCC(=O)NC1=O ZINC000343725469 289113252 /nfs/dbraw/zinc/11/32/52/289113252.db2.gz FSMPDDRVVUTBMJ-UHFFFAOYSA-N 2 0 341.456 -0.340 20 0 EBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000668511961 545706139 /nfs/dbraw/zinc/70/61/39/545706139.db2.gz LHTGWYJLYWCTGK-HNNXBMFYSA-N 2 0 340.468 -0.185 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000668659805 545728167 /nfs/dbraw/zinc/72/81/67/545728167.db2.gz YFLVGMOYDRRCNQ-OAHLLOKOSA-N 2 0 338.452 -0.746 20 0 EBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000669227622 545827485 /nfs/dbraw/zinc/82/74/85/545827485.db2.gz DOUBIAWQNBTPFZ-HNNXBMFYSA-N 2 0 342.484 -0.083 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000669228281 545827861 /nfs/dbraw/zinc/82/78/61/545827861.db2.gz LIDIRCRAFLNEKC-CYBMUJFWSA-N 2 0 328.457 -0.330 20 0 EBADRP CN1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)[C@@H](C[NH3+])C1 ZINC000669463859 545875371 /nfs/dbraw/zinc/87/53/71/545875371.db2.gz NZNAXZPKYSLTIB-HNNXBMFYSA-N 2 0 339.484 -0.084 20 0 EBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000669486511 545879285 /nfs/dbraw/zinc/87/92/85/545879285.db2.gz SHFBMXHUIWULJL-XHSDSOJGSA-N 2 0 339.484 -0.215 20 0 EBADRP C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)[C@H]1CN(C)CCO1 ZINC000672961950 545913371 /nfs/dbraw/zinc/91/33/71/545913371.db2.gz WAPSWYOULDNYSZ-LXTVHRRPSA-N 2 0 328.457 -0.198 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NCCN1Cc2ccccc2C1 ZINC000671394755 546002614 /nfs/dbraw/zinc/00/26/14/546002614.db2.gz NNADPGDUHHQSKO-UHFFFAOYSA-N 2 0 348.447 -0.187 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000672015153 546078048 /nfs/dbraw/zinc/07/80/48/546078048.db2.gz RNLWBRNAOWLJEX-UKRRQHHQSA-N 2 0 340.468 -0.330 20 0 EBADRP CNS(=O)(=O)CCCN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678080024 546247495 /nfs/dbraw/zinc/24/74/95/546247495.db2.gz LMNWIRXPSGXXQL-ZDUSSCGKSA-N 2 0 332.470 -0.660 20 0 EBADRP CN(C(=O)NCc1nnn(C)n1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000683862960 546356467 /nfs/dbraw/zinc/35/64/67/546356467.db2.gz ZKPDLLAPRPFWSS-CYBMUJFWSA-N 2 0 336.444 -0.480 20 0 EBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)CC1=O ZINC000684174276 546366288 /nfs/dbraw/zinc/36/62/88/546366288.db2.gz GKJWDOQSNTUNJD-WMLDXEAASA-N 2 0 340.468 -0.688 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891540602 582557749 /nfs/dbraw/zinc/55/77/49/582557749.db2.gz UQSVWLNPJOSISP-LSDHHAIUSA-N 2 0 339.484 -0.310 20 0 EBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000891563186 582558314 /nfs/dbraw/zinc/55/83/14/582558314.db2.gz AQCNZKBVUCLMER-KFWWJZLASA-N 2 0 325.457 -0.476 20 0 EBADRP C[C@@H](CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[NH+](C)C ZINC000891938936 582563688 /nfs/dbraw/zinc/56/36/88/582563688.db2.gz BNYWBBBPTUAREN-LOWDOPEQSA-N 2 0 325.413 -0.487 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCN2CC[NH2+]CC2)C[C@H]1C[NH+](C)C ZINC000891973662 582564983 /nfs/dbraw/zinc/56/49/83/582564983.db2.gz WQJJRFKZHNAVEQ-HZPDHXFCSA-N 3 0 340.516 -0.728 20 0 EBADRP O=C(N[C@@H]1CC[NH2+]C1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892006947 582565506 /nfs/dbraw/zinc/56/55/06/582565506.db2.gz NMUAXCNGFDNEHQ-HUUCEWRRSA-N 2 0 325.457 -0.556 20 0 EBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000892088163 582567303 /nfs/dbraw/zinc/56/73/03/582567303.db2.gz JYWGZAKMJHVXNA-KSTCHIGDSA-N 2 0 337.424 -0.167 20 0 EBADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892267626 582572472 /nfs/dbraw/zinc/57/24/72/582572472.db2.gz NPUUDMCFCMEMME-RFQIPJPRSA-N 2 0 349.435 -0.295 20 0 EBADRP COCC[N@H+](C)CCNC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000892687345 582585858 /nfs/dbraw/zinc/58/58/58/582585858.db2.gz KFAYRYZIPNNQLW-CABCVRRESA-N 2 0 328.457 -0.195 20 0 EBADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000892755976 582586959 /nfs/dbraw/zinc/58/69/59/582586959.db2.gz MFNJZPQRBKGWPI-RRFJBIMHSA-N 2 0 338.452 -0.395 20 0 EBADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000892755977 582587068 /nfs/dbraw/zinc/58/70/68/582587068.db2.gz MFNJZPQRBKGWPI-ZNMIVQPWSA-N 2 0 338.452 -0.395 20 0 EBADRP O=C(NCC[NH+]1CCC(O)CC1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000892819560 582588676 /nfs/dbraw/zinc/58/86/76/582588676.db2.gz QMOMNYLBCRZXCO-HIFRSBDPSA-N 2 0 326.441 -0.395 20 0 EBADRP COCC(COC)N1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000897968172 582716022 /nfs/dbraw/zinc/71/60/22/582716022.db2.gz HVGBKMLNMYIXDU-HNNXBMFYSA-N 2 0 341.452 -0.487 20 0 EBADRP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000900228317 582765219 /nfs/dbraw/zinc/76/52/19/582765219.db2.gz BIKGIAASFPKSLE-YJBOKZPZSA-N 2 0 347.463 -0.095 20 0 EBADRP CC(C)[NH+]1CCN(CCC(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000900658328 582777197 /nfs/dbraw/zinc/77/71/97/582777197.db2.gz GOWJWKPKDXOYPL-INIZCTEOSA-N 2 0 325.501 -0.236 20 0 EBADRP CN1CC[NH+](CC2CCN(C(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)CC2)CC1 ZINC000900646138 582777638 /nfs/dbraw/zinc/77/76/38/582777638.db2.gz WBYZJZUKHACRDB-WMZOPIPTSA-N 2 0 338.496 -0.073 20 0 EBADRP CN1CC[NH+](CC2CCN(C(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)CC2)CC1 ZINC000900646136 582777690 /nfs/dbraw/zinc/77/76/90/582777690.db2.gz WBYZJZUKHACRDB-FUHWJXTLSA-N 2 0 338.496 -0.073 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900689422 582779267 /nfs/dbraw/zinc/77/92/67/582779267.db2.gz PXAOAONNWWROHK-WBVHZDCISA-N 2 0 326.485 -0.025 20 0 EBADRP C[NH+](C)C1CCN(CCNC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900956782 582787336 /nfs/dbraw/zinc/78/73/36/582787336.db2.gz ZDASNZKDRQKXPG-QGZVFWFLSA-N 2 0 326.485 -0.025 20 0 EBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(S(=O)(=O)CC1(N(C)C)CC1)C2 ZINC000903552538 582811340 /nfs/dbraw/zinc/81/13/40/582811340.db2.gz OQYLJIKYYVQNJD-ZOWXZIJZSA-N 2 0 345.465 -0.377 20 0 EBADRP C[NH+](C)CC[C@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)c1cccnc1 ZINC000903591202 582813615 /nfs/dbraw/zinc/81/36/15/582813615.db2.gz JINBFTQWVSJRCW-GJZGRUSLSA-N 2 0 342.465 -0.018 20 0 EBADRP COCCOCCOCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000903713437 582814953 /nfs/dbraw/zinc/81/49/53/582814953.db2.gz QINGTDMOIOYCMV-MRXNPFEDSA-N 2 0 343.468 -0.190 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903735768 582815842 /nfs/dbraw/zinc/81/58/42/582815842.db2.gz DJZUXKZFJZZCCC-SJLPKXTDSA-N 2 0 336.480 -0.005 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903738342 582816452 /nfs/dbraw/zinc/81/64/52/582816452.db2.gz KDUZCHIWWAXUAT-AWEZNQCLSA-N 2 0 342.484 -0.001 20 0 EBADRP O=C(N1CC[NH2+]CC1)N1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000903769551 582817985 /nfs/dbraw/zinc/81/79/85/582817985.db2.gz JAROTXSFRGJHCA-OAHLLOKOSA-N 2 0 325.457 -0.914 20 0 EBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)CC[C@H]21 ZINC000903775886 582819962 /nfs/dbraw/zinc/81/99/62/582819962.db2.gz HOXMPGUGOSAUCD-IRCOFANPSA-N 2 0 348.369 -0.113 20 0 EBADRP Cc1c(C[C@H](C[NH3+])C[N@H+](C)C[C@H](O)CN2CCOCC2)cnn1C ZINC000903894908 582823424 /nfs/dbraw/zinc/82/34/24/582823424.db2.gz HIOFZVRVFULUSZ-WBVHZDCISA-N 2 0 339.484 -0.529 20 0 EBADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)cnn1C ZINC000903905255 582823440 /nfs/dbraw/zinc/82/34/40/582823440.db2.gz BULFSCNQKQSTNN-WBVHZDCISA-N 2 0 348.495 -0.258 20 0 EBADRP C[NH+](C)CCNC(=S)NNC1=[NH+]CC2=CNN(C(C)(C)C)C2=N1 ZINC000731947310 582843549 /nfs/dbraw/zinc/84/35/49/582843549.db2.gz CJJWOSPEWZOTTG-UHFFFAOYSA-N 2 0 338.485 -0.213 20 0 EBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]3COCCO3)C2)CC1 ZINC000734274969 582870427 /nfs/dbraw/zinc/87/04/27/582870427.db2.gz UYYPTTGETTUFJW-ZFWWWQNUSA-N 2 0 326.441 -0.131 20 0 EBADRP Cn1ncc(CCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000838615172 583055566 /nfs/dbraw/zinc/05/55/66/583055566.db2.gz JJGGRNHHZIKHQT-UHFFFAOYSA-N 2 0 325.461 -0.118 20 0 EBADRP C[NH+]1CCC(O)(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000741085966 583069409 /nfs/dbraw/zinc/06/94/09/583069409.db2.gz ACOCENQNRVOFQR-KGLIPLIRSA-N 2 0 326.441 -0.395 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCC1(C)OCCO1 ZINC000806378283 583254945 /nfs/dbraw/zinc/25/49/45/583254945.db2.gz UMPZCILSOUWEGM-UHFFFAOYSA-N 2 0 344.456 -0.793 20 0 EBADRP C[N@@H+]1CC[C@](O)(CNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000763074033 583257065 /nfs/dbraw/zinc/25/70/65/583257065.db2.gz SUSZAYNRXVYICU-WBVHZDCISA-N 2 0 340.468 -0.004 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000793707758 583568906 /nfs/dbraw/zinc/56/89/06/583568906.db2.gz KCNLTSIHGCYXEJ-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP O=C(NCCCCn1ccnc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000793725094 583569488 /nfs/dbraw/zinc/56/94/88/583569488.db2.gz KAFYSBAUNYFCPK-LSDHHAIUSA-N 2 0 349.435 -0.241 20 0 EBADRP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804053361 583638174 /nfs/dbraw/zinc/63/81/74/583638174.db2.gz JFFQBVHXEBJCQD-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000804057057 583639480 /nfs/dbraw/zinc/63/94/80/583639480.db2.gz NBTYKEZWBDTUKY-CABCVRRESA-N 2 0 338.452 -0.480 20 0 EBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804060800 583641243 /nfs/dbraw/zinc/64/12/43/583641243.db2.gz PYQUDSJSUODBTM-CABCVRRESA-N 2 0 340.468 -0.236 20 0 EBADRP COC[C@H](CNC(=O)C[NH+]1CCCC1)NC(=O)C[NH+]1CCCC1 ZINC000822292504 583809146 /nfs/dbraw/zinc/80/91/46/583809146.db2.gz VICPZZGKHFOAMN-AWEZNQCLSA-N 2 0 326.441 -0.575 20 0 EBADRP C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)[C@@H]1C[NH3+] ZINC000842165382 584058895 /nfs/dbraw/zinc/05/88/95/584058895.db2.gz VVJAYQZVQOZAFY-KBUPBQIOSA-N 2 0 338.452 -0.448 20 0 EBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000842165143 584059002 /nfs/dbraw/zinc/05/90/02/584059002.db2.gz TYSJAGSEQDVTGV-QLFBSQMISA-N 2 0 338.452 -0.434 20 0 EBADRP O=C(CO[C@H]1CCC[NH2+]C1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000843317974 584075586 /nfs/dbraw/zinc/07/55/86/584075586.db2.gz VDFISPFTCIPOLX-CABCVRRESA-N 2 0 338.452 -0.575 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC000843471570 584079414 /nfs/dbraw/zinc/07/94/14/584079414.db2.gz JXMRNGSQAALRNO-AWEZNQCLSA-N 2 0 335.408 -0.587 20 0 EBADRP CC[NH+]1CCN(CC(=O)Nc2ccccc2C(=O)NCC[NH3+])CC1 ZINC000844194578 584091006 /nfs/dbraw/zinc/09/10/06/584091006.db2.gz DSPJIHIRUQGVLD-UHFFFAOYSA-N 2 0 333.436 -0.049 20 0 EBADRP CCO[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C[C@H]1C[NH3+] ZINC000846142997 584122390 /nfs/dbraw/zinc/12/23/90/584122390.db2.gz CBBWIGOVWHADDS-KBUPBQIOSA-N 2 0 326.441 -0.145 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCS(=O)(=O)N1CCOCC1 ZINC000849073868 584165760 /nfs/dbraw/zinc/16/57/60/584165760.db2.gz KABYQUPXECGRQT-CYBMUJFWSA-N 2 0 347.485 -0.753 20 0 EBADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000850839719 584188740 /nfs/dbraw/zinc/18/87/40/584188740.db2.gz WHXAFCJYDDBSCU-ZDUSSCGKSA-N 2 0 331.420 -0.145 20 0 EBADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851874933 584204600 /nfs/dbraw/zinc/20/46/00/584204600.db2.gz CSMDCNPQZIAAGV-GOSISDBHSA-N 2 0 334.464 -0.071 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000861738977 584336474 /nfs/dbraw/zinc/33/64/74/584336474.db2.gz DKQMBWBILMHDIN-QWHCGFSZSA-N 2 0 325.457 -0.923 20 0 EBADRP CC(C)[C@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])N1CC[NH+](C)CC1 ZINC000861743413 584336685 /nfs/dbraw/zinc/33/66/85/584336685.db2.gz VWLLXTQWWPMEKX-KGLIPLIRSA-N 2 0 327.473 -0.820 20 0 EBADRP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)CCOCC[NH2+]C)CC1 ZINC000863553710 584373405 /nfs/dbraw/zinc/37/34/05/584373405.db2.gz INTSVFAGNGAGES-AWEZNQCLSA-N 2 0 344.456 -0.157 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000863764762 584377490 /nfs/dbraw/zinc/37/74/90/584377490.db2.gz WPGYDOMGELVIRY-AWEZNQCLSA-N 2 0 340.468 -0.105 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(C(=O)NCCO)CC1 ZINC000866686283 584403377 /nfs/dbraw/zinc/40/33/77/584403377.db2.gz FWKYXKXHSXQULX-IRXDYDNUSA-N 2 0 335.448 -0.262 20 0 EBADRP O=C(CC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CCOCC1 ZINC000866710906 584404138 /nfs/dbraw/zinc/40/41/38/584404138.db2.gz XKCFQRZPRUEWKF-MCIONIFRSA-N 2 0 338.408 -0.898 20 0 EBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000866712812 584404203 /nfs/dbraw/zinc/40/42/03/584404203.db2.gz YANJTKHJCUKLJB-ARKGTOAJSA-N 2 0 336.436 -0.284 20 0 EBADRP C[NH+](C)CCCS(=O)(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866816217 584407364 /nfs/dbraw/zinc/40/73/64/584407364.db2.gz KPVCHTHLXIVEJH-XQQFMLRXSA-N 2 0 346.453 -0.865 20 0 EBADRP C[C@@H](CO)N(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867481871 584409021 /nfs/dbraw/zinc/40/90/21/584409021.db2.gz YHWXARDRUFXAOM-BFHYXJOUSA-N 2 0 328.457 -0.977 20 0 EBADRP COC(=O)CCCS(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867589079 584411814 /nfs/dbraw/zinc/41/18/14/584411814.db2.gz LFJOYTTWDBWWDD-ZIAGYGMSSA-N 2 0 349.497 -0.059 20 0 EBADRP COCCN(C)S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867588460 584411839 /nfs/dbraw/zinc/41/18/39/584411839.db2.gz DJLNRMNOVISARO-ZIAGYGMSSA-N 2 0 336.502 -0.519 20 0 EBADRP C[N@@H+]1CCN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CCC1(C)C ZINC000867740874 584415122 /nfs/dbraw/zinc/41/51/22/584415122.db2.gz LUYJGLXEVIUZRA-UONOGXRCSA-N 2 0 338.452 -0.794 20 0 EBADRP C[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)N1C(=O)CCC1=O ZINC000870024316 584442946 /nfs/dbraw/zinc/44/29/46/584442946.db2.gz YHWMGLYNZQHXHA-MGPQQGTHSA-N 2 0 338.452 -0.278 20 0 EBADRP O=C(CCC12CC(C1)C[NH2+]2)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870996069 584450559 /nfs/dbraw/zinc/45/05/59/584450559.db2.gz CDHOFUGKDPJVBH-JEFPAAPESA-N 2 0 334.420 -0.088 20 0 EBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000871809853 584457278 /nfs/dbraw/zinc/45/72/78/584457278.db2.gz GGNDIZMWDZQLHU-OLZOCXBDSA-N 2 0 333.454 -0.947 20 0 EBADRP [NH3+]C[C@@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C[C@@H]1C(F)(F)F ZINC000871812812 584457551 /nfs/dbraw/zinc/45/75/51/584457551.db2.gz KYFAMANKZWCPEK-BBBLOLIVSA-N 2 0 331.360 -0.626 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000871815707 584457582 /nfs/dbraw/zinc/45/75/82/584457582.db2.gz PIUWDJHPGLANAL-LSDHHAIUSA-N 2 0 330.498 -0.505 20 0 EBADRP C[N@H+](CCCCCC[NH3+])CC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000872158869 584458538 /nfs/dbraw/zinc/45/85/38/584458538.db2.gz YMYPIUSMLUKVLZ-UHFFFAOYSA-N 2 0 348.513 -0.023 20 0 EBADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)C2)C1 ZINC000872195239 584459894 /nfs/dbraw/zinc/45/98/94/584459894.db2.gz NTWGZODZLPDHOZ-BMGDILEWSA-N 2 0 334.464 -0.001 20 0 EBADRP O=C(CO[C@H]1CCC[NH2+]C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872309181 584461867 /nfs/dbraw/zinc/46/18/67/584461867.db2.gz SIYRNTVTAJMZHT-RQJABVFESA-N 2 0 338.408 -0.852 20 0 EBADRP COCC[N@H+](C)CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875216143 584494009 /nfs/dbraw/zinc/49/40/09/584494009.db2.gz PWCSZLHTXIHOAW-HZPDHXFCSA-N 3 0 343.516 -0.055 20 0 EBADRP CN1C[C@@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1=O ZINC000875350470 584497859 /nfs/dbraw/zinc/49/78/59/584497859.db2.gz LJNXKJYHRDRGFN-MCIONIFRSA-N 2 0 325.457 -0.402 20 0 EBADRP CO[C@@H]1COC[C@H]1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875688470 584504535 /nfs/dbraw/zinc/50/45/35/584504535.db2.gz RSDUGNBUWMLFFF-KBUPBQIOSA-N 2 0 328.457 -0.219 20 0 EBADRP COC[C@@]1(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)C[NH2+]CCO1 ZINC000876519968 584517893 /nfs/dbraw/zinc/51/78/93/584517893.db2.gz PYACHQWVRYNHMZ-MRXNPFEDSA-N 2 0 335.408 -0.565 20 0 EBADRP COC[C@]1(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[NH2+]CCO1 ZINC000876716793 584521481 /nfs/dbraw/zinc/52/14/81/584521481.db2.gz NIPFNTNPOCGCMN-DZKIICNBSA-N 2 0 329.441 -0.393 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)cn1 ZINC000876771424 584523371 /nfs/dbraw/zinc/52/33/71/584523371.db2.gz RTFSTJVWYYUDMS-RISCZKNCSA-N 2 0 340.403 -0.553 20 0 EBADRP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1(F)F ZINC000876841148 584524900 /nfs/dbraw/zinc/52/49/00/584524900.db2.gz LEHVPWOCVBINGH-HRDYMLBCSA-N 2 0 330.301 -0.221 20 0 EBADRP COC[C@]1(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000877018669 584528417 /nfs/dbraw/zinc/52/84/17/584528417.db2.gz PGFMHDUUMRAULB-LOWVWBTDSA-N 2 0 339.358 -0.023 20 0 EBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877330852 584531663 /nfs/dbraw/zinc/53/16/63/584531663.db2.gz HZQUPRXSKGQSNH-KGLIPLIRSA-N 2 0 338.452 -0.480 20 0 EBADRP CC[C@H]1COCCN1CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000877434816 584532767 /nfs/dbraw/zinc/53/27/67/584532767.db2.gz VAQFTVIQAAIEDW-UONOGXRCSA-N 2 0 326.441 -0.528 20 0 EBADRP Cn1cc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(=O)n(C)c1=O ZINC000877669479 584533693 /nfs/dbraw/zinc/53/36/93/584533693.db2.gz LEVOGQQCTOBRLN-ZIAGYGMSSA-N 2 0 337.468 -0.745 20 0 EBADRP CN1CCN(C(=O)CC[NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC000879596252 584554963 /nfs/dbraw/zinc/55/49/63/584554963.db2.gz KLQRLOIBCOHAMS-UHFFFAOYSA-N 2 0 337.512 -0.138 20 0 EBADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000883433540 584601379 /nfs/dbraw/zinc/60/13/79/584601379.db2.gz SRBDVNOBRCLXQQ-UONOGXRCSA-N 2 0 325.457 -0.033 20 0 EBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000883638398 584604116 /nfs/dbraw/zinc/60/41/16/584604116.db2.gz LDQDSYDCFKYRKH-KGLIPLIRSA-N 2 0 331.420 -0.061 20 0 EBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000883645258 584604370 /nfs/dbraw/zinc/60/43/70/584604370.db2.gz FZGVUIFFDJPNQR-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N(C)CCN1CCOCC1 ZINC000883645542 584604457 /nfs/dbraw/zinc/60/44/57/584604457.db2.gz NZSLUHUQGQBSPG-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000884285504 584620943 /nfs/dbraw/zinc/62/09/43/584620943.db2.gz LYPCHGOKBKDTOW-MRXNPFEDSA-N 2 0 344.463 -0.389 20 0 EBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]1C[N@@H+]3CCC[C@H]3CO1)C2 ZINC000884560038 584627248 /nfs/dbraw/zinc/62/72/48/584627248.db2.gz LRQYFOWKQCYCJA-SZOQZIPDSA-N 2 0 336.436 -0.966 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000884562593 584627599 /nfs/dbraw/zinc/62/75/99/584627599.db2.gz FDONEHAEWSMLIB-INIZCTEOSA-N 2 0 348.447 -0.489 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884603694 584629263 /nfs/dbraw/zinc/62/92/63/584629263.db2.gz OZHKUMTYTJFTGY-KKUMJFAQSA-N 2 0 340.468 -0.153 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000884603767 584629305 /nfs/dbraw/zinc/62/93/05/584629305.db2.gz QVIXXPQJXWBTLA-GASCZTMLSA-N 2 0 338.452 -0.434 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000884603630 584629313 /nfs/dbraw/zinc/62/93/13/584629313.db2.gz NOTNBGSLHGXUTB-OLZOCXBDSA-N 2 0 326.441 -0.448 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000884642853 584631367 /nfs/dbraw/zinc/63/13/67/584631367.db2.gz RQOOJURCJQZNJO-ZIAGYGMSSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884662681 584632395 /nfs/dbraw/zinc/63/23/95/584632395.db2.gz WIIGWGSUMJMGGD-BTTYYORXSA-N 2 0 326.441 -0.672 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH+](C)C ZINC000884674096 584633103 /nfs/dbraw/zinc/63/31/03/584633103.db2.gz NBTQRVNYTDISNR-RBSFLKMASA-N 3 0 339.484 -0.948 20 0 EBADRP CC[NH2+]CCCNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000884676315 584633250 /nfs/dbraw/zinc/63/32/50/584633250.db2.gz JKGHZOUCFOJUBT-HUUCEWRRSA-N 3 0 341.500 -0.700 20 0 EBADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000884678540 584633756 /nfs/dbraw/zinc/63/37/56/584633756.db2.gz FFXZAGNSBMDPAM-WFASDCNBSA-N 2 0 331.420 -0.028 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C[C@H]1C[NH+](C)C ZINC000884679014 584633852 /nfs/dbraw/zinc/63/38/52/584633852.db2.gz SBWODAGBCVDJTI-RBSFLKMASA-N 3 0 339.484 -0.962 20 0 EBADRP CC1([NH+]2CCCC2)CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000884820352 584639391 /nfs/dbraw/zinc/63/93/91/584639391.db2.gz PIOYUZPYVJXGAB-UHFFFAOYSA-N 2 0 340.468 -0.055 20 0 EBADRP CCN(C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@@H]1CC[NH2+]C1 ZINC000887070564 584675518 /nfs/dbraw/zinc/67/55/18/584675518.db2.gz OOBTUSODLJNBHV-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000887091269 584676356 /nfs/dbraw/zinc/67/63/56/584676356.db2.gz GGGDGXAVFYHQPI-KGLIPLIRSA-N 2 0 331.420 -0.074 20 0 EBADRP C[NH+](C)CCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000890137111 584692729 /nfs/dbraw/zinc/69/27/29/584692729.db2.gz ABTVQOUSQMNPQD-OAHLLOKOSA-N 2 0 327.473 -0.356 20 0 EBADRP C[NH+](C)CCNC(=S)N1CCN(C(=S)NCC[NH+](C)C)CC1 ZINC000007570320 649932224 /nfs/dbraw/zinc/93/22/24/649932224.db2.gz ZTOYZFACNBKIOA-UHFFFAOYSA-N 2 0 346.570 -0.524 20 0 EBADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC1=O ZINC000425318372 650009906 /nfs/dbraw/zinc/00/99/06/650009906.db2.gz OMKWROBIMZDJQP-OAHLLOKOSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH2+][C@H](C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1cnn(C)c1 ZINC000517234399 650012133 /nfs/dbraw/zinc/01/21/33/650012133.db2.gz FKMJRYOKDUJPFZ-HIFRSBDPSA-N 2 0 348.451 -0.649 20 0 EBADRP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC2)C[C@@H](C)O1 ZINC000904336968 650049697 /nfs/dbraw/zinc/04/96/97/650049697.db2.gz LHTGRPOBZQYUNU-TUVASFSCSA-N 2 0 346.497 -0.305 20 0 EBADRP CN(C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)C1(C[NH3+])CCOCC1 ZINC000904971894 650053273 /nfs/dbraw/zinc/05/32/73/650053273.db2.gz RNLAAOXAUNNERG-AWEZNQCLSA-N 2 0 338.452 -0.351 20 0 EBADRP CN(C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)C1(C[NH3+])CCOCC1 ZINC000904979331 650054112 /nfs/dbraw/zinc/05/41/12/650054112.db2.gz HKZOTYCMCSXGRW-ZIAGYGMSSA-N 2 0 338.452 -0.495 20 0 EBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCC4(CC[NH2+]C4)CC3)C[C@]2(C)C1 ZINC000904986646 650055542 /nfs/dbraw/zinc/05/55/42/650055542.db2.gz KCVKADRSHDNYJC-PBHICJAKSA-N 2 0 334.464 -0.001 20 0 EBADRP CC1([NH3+])CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000904991916 650056062 /nfs/dbraw/zinc/05/60/62/650056062.db2.gz YZJVOEVQSPNINN-KBPBESRZSA-N 2 0 338.452 -0.616 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000904994503 650056998 /nfs/dbraw/zinc/05/69/98/650056998.db2.gz GYVBMRBWPSVZME-LSDHHAIUSA-N 2 0 336.436 -0.704 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000904995030 650057002 /nfs/dbraw/zinc/05/70/02/650057002.db2.gz NQPIEZLYLQTLSM-CQSZACIVSA-N 2 0 342.484 -0.131 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000904994656 650057067 /nfs/dbraw/zinc/05/70/67/650057067.db2.gz HWZPKCUIQAKOER-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000905017223 650060070 /nfs/dbraw/zinc/06/00/70/650060070.db2.gz UHIYNSVQYNUGRI-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP COC(=O)c1cc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)n(C)c1C ZINC000905436686 650063403 /nfs/dbraw/zinc/06/34/03/650063403.db2.gz DKIFQIAHNDQGOT-OAHLLOKOSA-N 2 0 338.452 -0.182 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H](O)Cc2ccccc2F)CC1 ZINC000905475177 650063679 /nfs/dbraw/zinc/06/36/79/650063679.db2.gz SJJLVCJRLYNADN-CVEARBPZSA-N 2 0 325.428 -0.073 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)CC1 ZINC000905606342 650064133 /nfs/dbraw/zinc/06/41/33/650064133.db2.gz FEXZZSBIUBQEBN-ZIAGYGMSSA-N 2 0 344.456 -0.265 20 0 EBADRP CN1CC[N@H+](C)CC(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000906515947 650068620 /nfs/dbraw/zinc/06/86/20/650068620.db2.gz IRRWUEURXSOSCX-CQSZACIVSA-N 2 0 339.484 -0.817 20 0 EBADRP COC(=O)CCN1CCN(C(=O)C2CN(C)CC[N@H+](C)C2)[C@H](C)C1 ZINC000907218136 650078410 /nfs/dbraw/zinc/07/84/10/650078410.db2.gz ARRMPZRUXQNHDF-CQSZACIVSA-N 2 0 340.468 -0.424 20 0 EBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)CC2)C1=O ZINC000908186547 650097793 /nfs/dbraw/zinc/09/77/93/650097793.db2.gz WXMJLSJVEIQPEM-GRDNDAEWSA-N 2 0 338.452 -0.747 20 0 EBADRP CC(C)[NH+]1CCN(CCC(=O)N[C@H](CO)C[NH+]2CCCC2)CC1 ZINC000908205499 650098698 /nfs/dbraw/zinc/09/86/98/650098698.db2.gz VYWMJFMCYAZTBN-INIZCTEOSA-N 2 0 326.485 -0.025 20 0 EBADRP COC(=O)[C@@H]1CN(C(=O)C[C@]2(O)CCC[NH+](C)C2)CC[N@H+](C)C1 ZINC000910413379 650110898 /nfs/dbraw/zinc/11/08/98/650110898.db2.gz NIPWQXQCYKBRPE-XJKSGUPXSA-N 2 0 327.425 -0.604 20 0 EBADRP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@H]4C[N@@H+](C)C[C@@]4(C)C3)CC[C@H]21 ZINC000910765570 650129843 /nfs/dbraw/zinc/12/98/43/650129843.db2.gz JGBIBBXHGHXMSE-ADAWSYLGSA-N 2 0 334.464 -0.051 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000910963637 650142408 /nfs/dbraw/zinc/14/24/08/650142408.db2.gz SQYPNBZGEVVHAK-VNQPRFMTSA-N 2 0 332.448 0.000 20 0 EBADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000910971311 650142676 /nfs/dbraw/zinc/14/26/76/650142676.db2.gz MRWKGHRLPVRINJ-QGZVFWFLSA-N 2 0 340.468 -0.322 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000911011619 650145180 /nfs/dbraw/zinc/14/51/80/650145180.db2.gz HJQRBGVLWZUICN-NGFQHRJXSA-N 2 0 338.452 -0.796 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000911014389 650145555 /nfs/dbraw/zinc/14/55/55/650145555.db2.gz JSLJRSOREUXYMD-KGLIPLIRSA-N 2 0 326.441 -0.719 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000911031401 650146713 /nfs/dbraw/zinc/14/67/13/650146713.db2.gz QKOIYIYHNNYMKP-RHSMWYFYSA-N 2 0 337.468 -0.907 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911031783 650146810 /nfs/dbraw/zinc/14/68/10/650146810.db2.gz TWTWFWNIUZTHKK-NUEKZKHPSA-N 2 0 345.447 -0.911 20 0 EBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH2+]C[C@H]1COC ZINC000911054972 650148281 /nfs/dbraw/zinc/14/82/81/650148281.db2.gz NESMRTVTMHKWMN-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000911053963 650148357 /nfs/dbraw/zinc/14/83/57/650148357.db2.gz FAKUJXZGCZLWPT-XJKSGUPXSA-N 2 0 326.441 -0.711 20 0 EBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1COC ZINC000911056168 650148815 /nfs/dbraw/zinc/14/88/15/650148815.db2.gz SFLZHBFFSMHGGA-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)C(C)(C)C ZINC000911076801 650149232 /nfs/dbraw/zinc/14/92/32/650149232.db2.gz JPTGNFUHMCEHBJ-DYVFJYSZSA-N 2 0 342.484 -0.219 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000911100971 650151060 /nfs/dbraw/zinc/15/10/60/650151060.db2.gz IPHJDLOBMFGLIS-QLFBSQMISA-N 2 0 337.468 -0.862 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000911145306 650153845 /nfs/dbraw/zinc/15/38/45/650153845.db2.gz DOKWEAMUEHZYGB-NWANDNLSSA-N 2 0 338.452 -0.578 20 0 EBADRP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000911146922 650154476 /nfs/dbraw/zinc/15/44/76/650154476.db2.gz CXYYABJJUILUME-VWPFQQQWSA-N 2 0 336.436 -0.694 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000911156268 650154936 /nfs/dbraw/zinc/15/49/36/650154936.db2.gz PIOXPNUUJCPROI-XJKSGUPXSA-N 2 0 326.441 -0.589 20 0 EBADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911238008 650161696 /nfs/dbraw/zinc/16/16/96/650161696.db2.gz JRNBGLTWEBEFCV-OAHLLOKOSA-N 2 0 337.468 -0.859 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)NCCN1CCC([NH3+])CC1)C1CCCC1 ZINC000911236829 650161698 /nfs/dbraw/zinc/16/16/98/650161698.db2.gz UCQRZJWUVBQMQA-UHFFFAOYSA-N 2 0 339.484 -0.484 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000911237864 650161703 /nfs/dbraw/zinc/16/17/03/650161703.db2.gz ZUHICCRXGOVTRJ-CQSZACIVSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000911183704 650157606 /nfs/dbraw/zinc/15/76/06/650157606.db2.gz OPZNUKIPWFNKNS-KGLIPLIRSA-N 2 0 326.441 -0.813 20 0 EBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911188327 650157737 /nfs/dbraw/zinc/15/77/37/650157737.db2.gz WEIUZTFINHMTHU-OAHLLOKOSA-N 2 0 340.468 -0.137 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CCSC1 ZINC000911199065 650159095 /nfs/dbraw/zinc/15/90/95/650159095.db2.gz JSPPYIZGHNFUNY-HOTGVXAUSA-N 2 0 340.493 -0.106 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000911206484 650159578 /nfs/dbraw/zinc/15/95/78/650159578.db2.gz GTLMVDPBGLDCAF-BBRMVZONSA-N 2 0 326.441 -0.711 20 0 EBADRP C[C@H](CNC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1)[N@H+](C)C1CC1 ZINC000911204327 650159849 /nfs/dbraw/zinc/15/98/49/650159849.db2.gz AVARIJYMTHIYLN-GFCCVEGCSA-N 2 0 326.441 -0.448 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911229897 650160662 /nfs/dbraw/zinc/16/06/62/650160662.db2.gz CHHPVJADCIDOEW-MRXNPFEDSA-N 2 0 326.441 -0.575 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000911222313 650160745 /nfs/dbraw/zinc/16/07/45/650160745.db2.gz CNPUKITYZPBXFS-HUUCEWRRSA-N 2 0 338.452 -0.576 20 0 EBADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCNCC[NH2+]CC2)c1 ZINC000911220650 650161038 /nfs/dbraw/zinc/16/10/38/650161038.db2.gz XODJIYSQPATWMR-UHFFFAOYSA-N 2 0 347.463 -0.614 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000911243507 650162834 /nfs/dbraw/zinc/16/28/34/650162834.db2.gz WOYVRCUVVIDSSH-JJRVBVJISA-N 2 0 338.452 -0.528 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)NCCCN2CCOCC2)CC[C@H]1C[NH3+] ZINC000911247205 650163001 /nfs/dbraw/zinc/16/30/01/650163001.db2.gz NGIIIRCEQATNJM-KBPBESRZSA-N 2 0 326.441 -0.732 20 0 EBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC000911244565 650163040 /nfs/dbraw/zinc/16/30/40/650163040.db2.gz PSYSYEUICCPWAY-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1)C[NH+]1CCN(C)CC1 ZINC000911268746 650164372 /nfs/dbraw/zinc/16/43/72/650164372.db2.gz FSRYKPRGRRSRNE-KGLIPLIRSA-N 2 0 339.484 -0.818 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CCCCC1 ZINC000911267510 650164464 /nfs/dbraw/zinc/16/44/64/650164464.db2.gz KOYRWTUFHJSRMS-MRXNPFEDSA-N 2 0 340.468 -0.321 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000911270138 650165093 /nfs/dbraw/zinc/16/50/93/650165093.db2.gz TYBWHWLSKROERT-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911293090 650167173 /nfs/dbraw/zinc/16/71/73/650167173.db2.gz RRVAMTFFPWBLCK-RDBSUJKOSA-N 2 0 326.441 -0.857 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000911242491 650162243 /nfs/dbraw/zinc/16/22/43/650162243.db2.gz ISTLPUALHLIKDI-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000911240278 650162247 /nfs/dbraw/zinc/16/22/47/650162247.db2.gz ILZHSPNGVBVTNG-NUEKZKHPSA-N 2 0 346.431 -0.436 20 0 EBADRP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000911239011 650162332 /nfs/dbraw/zinc/16/23/32/650162332.db2.gz XVSUZPJLPIZHDT-RHSMWYFYSA-N 2 0 338.452 -0.568 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000911307276 650169171 /nfs/dbraw/zinc/16/91/71/650169171.db2.gz UKLGHDQRGISNAP-UHFFFAOYSA-N 2 0 340.468 -0.138 20 0 EBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000911309572 650169583 /nfs/dbraw/zinc/16/95/83/650169583.db2.gz GJYOLFXAUDVOGO-CBBWQLFWSA-N 2 0 338.452 -0.712 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911312966 650170062 /nfs/dbraw/zinc/17/00/62/650170062.db2.gz BNNOIYPJKYTYEU-FQUUOJAGSA-N 2 0 326.441 -0.714 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C[NH+](C)C ZINC000911313542 650170600 /nfs/dbraw/zinc/17/06/00/650170600.db2.gz FXFMPSZVGFKHIV-GBJTYRQASA-N 2 0 340.468 -0.426 20 0 EBADRP [NH3+]CCCCCCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911313708 650170783 /nfs/dbraw/zinc/17/07/83/650170783.db2.gz TVOBPCVEBXTUAJ-CABCVRRESA-N 2 0 340.468 -0.321 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000911325737 650171761 /nfs/dbraw/zinc/17/17/61/650171761.db2.gz WPKBDRJBFVHYKC-RRFJBIMHSA-N 2 0 338.452 -0.434 20 0 EBADRP CC1(C)CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[C@@H]1[NH3+] ZINC000911336403 650172317 /nfs/dbraw/zinc/17/23/17/650172317.db2.gz IFQDBSQFMCAZHX-KBPBESRZSA-N 2 0 338.452 -0.448 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000911380529 650176956 /nfs/dbraw/zinc/17/69/56/650176956.db2.gz UBNDWQDNGSIKLZ-CABCVRRESA-N 2 0 339.484 -0.946 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000911381158 650177460 /nfs/dbraw/zinc/17/74/60/650177460.db2.gz RXRAJGQTEMRLAO-QPSCCSFWSA-N 2 0 340.468 -0.426 20 0 EBADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1cccnc1 ZINC000911421375 650182502 /nfs/dbraw/zinc/18/25/02/650182502.db2.gz VVPNYTJHWJQOFR-OWCLPIDISA-N 2 0 345.447 -0.132 20 0 EBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C[NH+](C)C)OCC ZINC000911433922 650183423 /nfs/dbraw/zinc/18/34/23/650183423.db2.gz FERPTCQJRUMVHS-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)C[NH+](C)C ZINC000911435305 650183439 /nfs/dbraw/zinc/18/34/39/650183439.db2.gz LFENPIBKTUDEOR-BFHYXJOUSA-N 2 0 328.457 -0.345 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])C[NH+](C)C ZINC000911433919 650183449 /nfs/dbraw/zinc/18/34/49/650183449.db2.gz FBHBBPXXEUFEFF-MGPQQGTHSA-N 2 0 328.457 -0.345 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)C[NH+](C)C ZINC000911433930 650183467 /nfs/dbraw/zinc/18/34/67/650183467.db2.gz FIWQYAHVNOSPOR-HZSPNIEDSA-N 2 0 326.441 -0.578 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)C[NH+](C)C ZINC000911436555 650183743 /nfs/dbraw/zinc/18/37/43/650183743.db2.gz VJASVOCZDRFULH-PBHICJAKSA-N 2 0 340.468 -0.329 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)C[NH+](C)C ZINC000911436793 650183915 /nfs/dbraw/zinc/18/39/15/650183915.db2.gz VWUOSTMORNTGLH-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)C[NH+](C)C ZINC000911435893 650183974 /nfs/dbraw/zinc/18/39/74/650183974.db2.gz QMIIDQZPWXGQHB-HEHGZKQESA-N 2 0 326.441 -0.863 20 0 EBADRP CC1([NH+]2CCC2)CCC(NC(=O)C(=O)N(CC[NH3+])CCO)CC1 ZINC000911457601 650185502 /nfs/dbraw/zinc/18/55/02/650185502.db2.gz VRYBJYWLHQJNLU-UHFFFAOYSA-N 2 0 326.441 -0.711 20 0 EBADRP CN(C(=O)C(=O)NCC1([NH3+])CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000911506601 650189249 /nfs/dbraw/zinc/18/92/49/650189249.db2.gz POORWSFQIASEGE-AWEZNQCLSA-N 2 0 337.468 -0.779 20 0 EBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000911545520 650192763 /nfs/dbraw/zinc/19/27/63/650192763.db2.gz PPSRHLWIURQWKL-CJNGLKHVSA-N 2 0 326.441 -0.588 20 0 EBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000911703272 650196015 /nfs/dbraw/zinc/19/60/15/650196015.db2.gz WJMIGGFTABPHPJ-WMLDXEAASA-N 2 0 338.452 -0.839 20 0 EBADRP CN(CC[N@H+](C)CCO)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000912606183 650209556 /nfs/dbraw/zinc/20/95/56/650209556.db2.gz AYKYQOMMWVMDOY-UHFFFAOYSA-N 2 0 335.452 -0.171 20 0 EBADRP CN(CC[N@H+](C)CCO)C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000912608056 650209590 /nfs/dbraw/zinc/20/95/90/650209590.db2.gz PWTZPTFEWAAIQW-UHFFFAOYSA-N 2 0 335.452 -0.171 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC[N@@H+]1C ZINC000919517280 650302473 /nfs/dbraw/zinc/30/24/73/650302473.db2.gz NCJYDOCABGBSJC-MCIONIFRSA-N 2 0 325.457 -0.034 20 0 EBADRP [NH3+]CC(C[NH3+])NCC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000923353878 650338949 /nfs/dbraw/zinc/33/89/49/650338949.db2.gz FCJNCJXQZXEORT-UHFFFAOYSA-N 2 0 347.463 -0.859 20 0 EBADRP COCCN(C)C[C@H](O)C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000923378277 650338973 /nfs/dbraw/zinc/33/89/73/650338973.db2.gz UBUHOTJCVDQISZ-XHSDSOJGSA-N 2 0 327.469 -0.374 20 0 EBADRP CN1CC(=O)N(CCN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1=O ZINC000923430538 650340263 /nfs/dbraw/zinc/34/02/63/650340263.db2.gz GVNBOHSSLBIQCF-GASCZTMLSA-N 2 0 335.452 -0.219 20 0 EBADRP C[C@@H]1C[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC[C@H]1C[NH3+] ZINC000923496149 650342282 /nfs/dbraw/zinc/34/22/82/650342282.db2.gz HGBWICUOVGMGEX-NEPJUHHUSA-N 2 0 334.424 -0.650 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000923514680 650342393 /nfs/dbraw/zinc/34/23/93/650342393.db2.gz NHYMZTREWLUXGL-OAGGEKHMSA-N 2 0 326.485 -0.014 20 0 EBADRP O=C([C@H]1CCCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000923565856 650343718 /nfs/dbraw/zinc/34/37/18/650343718.db2.gz GVGDQGMAXXWIQJ-UONOGXRCSA-N 2 0 344.481 -0.788 20 0 EBADRP C[NH+](C)C1(CNS(=O)(=O)N2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000923617529 650347994 /nfs/dbraw/zinc/34/79/94/650347994.db2.gz DSQUDNQLETVWSM-UHFFFAOYSA-N 2 0 338.477 -0.175 20 0 EBADRP C[C@@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC[C@H]1C[NH3+] ZINC000923704115 650353365 /nfs/dbraw/zinc/35/33/65/650353365.db2.gz STHLOUGVLTVISY-CABCVRRESA-N 2 0 332.514 -0.130 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000925407317 650377522 /nfs/dbraw/zinc/37/75/22/650377522.db2.gz JTXCNAONAZNSIP-CQSZACIVSA-N 2 0 325.457 -0.114 20 0 EBADRP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000926300112 650385065 /nfs/dbraw/zinc/38/50/65/650385065.db2.gz UKEYWFNRPBHEPW-KRWDZBQOSA-N 2 0 338.452 -0.615 20 0 EBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926293422 650385252 /nfs/dbraw/zinc/38/52/52/650385252.db2.gz MHLTWRANBIYZSX-UHFFFAOYSA-N 2 0 327.473 -0.946 20 0 EBADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000926314529 650385586 /nfs/dbraw/zinc/38/55/86/650385586.db2.gz FHYHGSOOKMCCML-QGZVFWFLSA-N 2 0 340.468 -0.369 20 0 EBADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926323258 650386270 /nfs/dbraw/zinc/38/62/70/650386270.db2.gz ZUNBFLMCJBVZNZ-CXAGYDPISA-N 2 0 340.468 -0.513 20 0 EBADRP CCO[C@H](CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)C[NH+](C)C ZINC000926852743 651496942 /nfs/dbraw/zinc/49/69/42/651496942.db2.gz ZPQWQPOVOGAHGX-ZIAGYGMSSA-N 2 0 343.472 -0.286 20 0 EBADRP C[N@@H+]1CC[C@](O)(CNC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000927639759 651505734 /nfs/dbraw/zinc/50/57/34/651505734.db2.gz FNYMFIPCPHXRQG-HOCLYGCPSA-N 2 0 326.441 -0.395 20 0 EBADRP C[C@@H]1[C@H](NC(=O)C[C@@H](O)CC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)CC[NH+]1C ZINC000928440318 651520519 /nfs/dbraw/zinc/52/05/19/651520519.db2.gz KICBMESICPESGT-XLWJZTARSA-N 2 0 340.468 -0.455 20 0 EBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3CC[NH+](C4CC4)C3)C[C@]2(C)C1 ZINC000929511710 651551847 /nfs/dbraw/zinc/55/18/47/651551847.db2.gz XWJUAUOOHJDPMQ-IYOUNJFTSA-N 2 0 334.464 -0.003 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C[NH+](C)C ZINC000929568812 651555161 /nfs/dbraw/zinc/55/51/61/651555161.db2.gz QETOGRSFKSWGHG-KFWWJZLASA-N 2 0 340.468 -0.188 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)C[NH+](C)C ZINC000930145893 651585680 /nfs/dbraw/zinc/58/56/80/651585680.db2.gz NUEZRASTINJRDQ-HZSPNIEDSA-N 2 0 328.457 -0.332 20 0 EBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C[NH+](C)C)OCC)C1 ZINC000931018010 651620072 /nfs/dbraw/zinc/62/00/72/651620072.db2.gz KLEINPNTJPRFJX-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@H](CNC(=O)C[N@H+](C)C[C@H]1C[C@@H](O)C1)[NH+](C)C[C@H]1C[C@@H](O)C1 ZINC000931269188 651627255 /nfs/dbraw/zinc/62/72/55/651627255.db2.gz JSXTXGDUKMDUDB-SUJAAXHWSA-N 2 0 327.469 -0.104 20 0 EBADRP C[C@@H]1COC[C@@H]1NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000932089149 651666765 /nfs/dbraw/zinc/66/67/65/651666765.db2.gz BEWWVXJFVVLJDQ-TUVASFSCSA-N 2 0 340.468 -0.665 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)C[NH+](C)C ZINC000932465273 651681084 /nfs/dbraw/zinc/68/10/84/651681084.db2.gz FCXRPOGTHMLXQI-ZNMIVQPWSA-N 2 0 340.468 -0.378 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N(CC)[C@@H]1CC[N@H+](C)C1)C[NH+](C)C ZINC000932469860 651682864 /nfs/dbraw/zinc/68/28/64/651682864.db2.gz PTIAWQWCUHEROE-ZIAGYGMSSA-N 2 0 328.457 -0.378 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C)C[NH+](C)C ZINC000932469227 651683183 /nfs/dbraw/zinc/68/31/83/651683183.db2.gz NADSQMHNGRXWFO-ZIAGYGMSSA-N 2 0 328.457 -0.378 20 0 EBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000932952407 651703793 /nfs/dbraw/zinc/70/37/93/651703793.db2.gz KKVAIZOPGXFFCY-UKRRQHHQSA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@@H]1CN(CCS(C)(=O)=O)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944171093 652700923 /nfs/dbraw/zinc/70/09/23/652700923.db2.gz WFRHVSYIVGPBKT-KGLIPLIRSA-N 2 0 343.493 -0.047 20 0 EBADRP O=C([C@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCN(C2CN(CCO)C2)CC1 ZINC000941408830 652720839 /nfs/dbraw/zinc/72/08/39/652720839.db2.gz WGMAWUBUCUXJNN-HOTGVXAUSA-N 2 0 336.480 -0.319 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCN(C2C[NH+](CCCO)C2)CC1)[NH+](C)C ZINC000941444700 652742677 /nfs/dbraw/zinc/74/26/77/652742677.db2.gz VHDBJZQIKAIBAF-INIZCTEOSA-N 2 0 326.485 -0.217 20 0 EBADRP C[NH+]1CCC(CC(=O)N2CCN(C3C[NH+](CCCO)C3)CC2)CC1 ZINC000941596232 652823350 /nfs/dbraw/zinc/82/33/50/652823350.db2.gz XUSOZYIVRQWFCY-UHFFFAOYSA-N 2 0 338.496 -0.071 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CN(C(=O)CCc3ncc[nH]3)CCO2)C1 ZINC000944597170 652897487 /nfs/dbraw/zinc/89/74/87/652897487.db2.gz PNLADLACURNGLE-KBPBESRZSA-N 2 0 349.435 -0.362 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)C1 ZINC000944598964 652900185 /nfs/dbraw/zinc/90/01/85/652900185.db2.gz DVTMCDKZVSFASF-HUUCEWRRSA-N 2 0 338.452 -0.623 20 0 EBADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000939760885 653041321 /nfs/dbraw/zinc/04/13/21/653041321.db2.gz YIQURUAOIUIGGX-QWHCGFSZSA-N 2 0 337.424 -0.930 20 0 EBADRP Cn1nnnc1CN1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946518504 653139485 /nfs/dbraw/zinc/13/94/85/653139485.db2.gz VCKCMRDYFRHMQQ-QLFBSQMISA-N 2 0 347.467 -0.025 20 0 EBADRP CN1CC[C@H]([NH2+]CC2(O)CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC000946918209 653262042 /nfs/dbraw/zinc/26/20/42/653262042.db2.gz FNVZLTGXFWZOKV-UONOGXRCSA-N 2 0 338.452 -0.746 20 0 EBADRP C[NH+](C)C1(C(=O)N2CCC(O)(C[NH2+][C@@H]3CCNC3=O)CC2)CCC1 ZINC000946925807 653271992 /nfs/dbraw/zinc/27/19/92/653271992.db2.gz UVDDWPCSHRQAJP-CYBMUJFWSA-N 2 0 338.452 -0.698 20 0 EBADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944918990 653289793 /nfs/dbraw/zinc/28/97/93/653289793.db2.gz LYIBBPXAZDVXHW-CABCVRRESA-N 2 0 337.468 -0.066 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2c3ccccc3OC[C@H]2CO)CC1 ZINC000934216548 719448512 /nfs/dbraw/zinc/44/85/12/719448512.db2.gz MKBKTANBRJTADU-RVKKMQEKSA-N 2 0 335.448 -0.074 20 0 EBADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000954357361 719691212 /nfs/dbraw/zinc/69/12/12/719691212.db2.gz RZKDWMGSIWYCAT-HOCLYGCPSA-N 2 0 334.464 -0.051 20 0 EBADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000954357360 719691352 /nfs/dbraw/zinc/69/13/52/719691352.db2.gz RZKDWMGSIWYCAT-GOEBONIOSA-N 2 0 334.464 -0.051 20 0 EBADRP O=C(NC[C@H]1C[N@H+](CCCO)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC000958249064 722333591 /nfs/dbraw/zinc/33/35/91/722333591.db2.gz RHHHLTHNSNLEME-XJKSGUPXSA-N 2 0 345.403 -0.328 20 0 EBADRP C[NH+](C)Cc1ccoc1C(=O)NC[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC000958346257 722349812 /nfs/dbraw/zinc/34/98/12/722349812.db2.gz XEURFDBSHNHTIU-KGLIPLIRSA-N 2 0 325.409 -0.254 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NC[C@H]2C[N@H+](CC3CC3)C[C@H]2O)cn1 ZINC000958466806 722371340 /nfs/dbraw/zinc/37/13/40/722371340.db2.gz BBCPNIFMUMRZPG-GOEBONIOSA-N 2 0 335.452 -0.123 20 0 EBADRP O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2)N1CCCC1 ZINC000959922420 722775562 /nfs/dbraw/zinc/77/55/62/722775562.db2.gz NHWWZPRXWGYQRL-LISAXSMJSA-N 2 0 346.475 -0.003 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC000960171777 722802787 /nfs/dbraw/zinc/80/27/87/722802787.db2.gz CARXPZFTIJOBKB-XUWVNRHRSA-N 2 0 349.479 -0.068 20 0 EBADRP C[N@H+](C[C@H]1CCCN1C(=O)C[NH+]1CCCC1)[C@@H]1CCC(=O)NC1=O ZINC000961031509 722889288 /nfs/dbraw/zinc/88/92/88/722889288.db2.gz YEJCLIGPXPZIMZ-ZIAGYGMSSA-N 2 0 336.436 -0.190 20 0 EBADRP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000961616595 723046308 /nfs/dbraw/zinc/04/63/08/723046308.db2.gz MSRDEDBAVSLFTR-RFQIPJPRSA-N 2 0 332.404 -0.110 20 0 EBADRP C[NH+]1CCC(CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC000961959658 723131737 /nfs/dbraw/zinc/13/17/37/723131737.db2.gz WLHMORWOKJXZJS-QDEZUTFSSA-N 2 0 348.447 -0.430 20 0 EBADRP O=C(c1ccn2c[nH+]cc2c1)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001019094963 728795247 /nfs/dbraw/zinc/79/52/47/728795247.db2.gz VHWFYUBLCLBQSD-GXTWGEPZSA-N 2 0 341.371 -0.056 20 0 EBADRP CC1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)CC1 ZINC000962139601 723178694 /nfs/dbraw/zinc/17/86/94/723178694.db2.gz IHGNEOSKQSCAMD-DLTWYDFYSA-N 2 0 334.464 -0.005 20 0 EBADRP Cn1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[NH+](C)C2)cc1=O ZINC000962555371 723283499 /nfs/dbraw/zinc/28/34/99/723283499.db2.gz PBTXVORPHLPELG-AIANPOQGSA-N 2 0 330.432 -0.117 20 0 EBADRP Cn1nccc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001019168759 728814023 /nfs/dbraw/zinc/81/40/23/728814023.db2.gz UNWMHRSAJZSMFG-DHCNJQPXSA-N 2 0 345.447 -0.026 20 0 EBADRP C[N@H+](CC(=O)N1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1)C1CCC1 ZINC000963394791 723416933 /nfs/dbraw/zinc/41/69/33/723416933.db2.gz MSTIRIZOWVVTJA-YUELXQCFSA-N 2 0 338.452 -0.890 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)C1 ZINC000963485472 723433419 /nfs/dbraw/zinc/43/34/19/723433419.db2.gz BLEXTVLUPLCVCH-ZNMIVQPWSA-N 2 0 338.452 -0.888 20 0 EBADRP C[NH+]1CCC(CC(=O)N2CC[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001019469968 728895748 /nfs/dbraw/zinc/89/57/48/728895748.db2.gz XHXOWFBVEYRECJ-UONOGXRCSA-N 2 0 336.436 -0.286 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC000967925820 724932404 /nfs/dbraw/zinc/93/24/04/724932404.db2.gz RXGGZAQXEBXFRD-KGLIPLIRSA-N 2 0 344.481 -0.693 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC000967925824 724932627 /nfs/dbraw/zinc/93/26/27/724932627.db2.gz RXGGZAQXEBXFRD-ZIAGYGMSSA-N 2 0 344.481 -0.693 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000968702119 725105446 /nfs/dbraw/zinc/10/54/46/725105446.db2.gz DIDULWNLBBKBDZ-KGLIPLIRSA-N 2 0 349.435 -0.930 20 0 EBADRP Cn1nncc1C[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001019574597 728925417 /nfs/dbraw/zinc/92/54/17/728925417.db2.gz KSRQTELCRLUTJH-ZDUSSCGKSA-N 2 0 336.440 -0.384 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CC[C@H]([NH2+][C@@H]3CCCNC3=O)C2)CC1 ZINC001019574476 728925629 /nfs/dbraw/zinc/92/56/29/728925629.db2.gz DYWZLTHMGFIDQB-DZGCQCFKSA-N 2 0 338.452 -0.434 20 0 EBADRP CN1CC[C@H]([NH2+][C@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1=O ZINC001019576099 728926359 /nfs/dbraw/zinc/92/63/59/728926359.db2.gz CMRQHRDXMNMDRU-ZFWWWQNUSA-N 2 0 338.452 -0.482 20 0 EBADRP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1)[NH+](C)C ZINC000968996792 725140436 /nfs/dbraw/zinc/14/04/36/725140436.db2.gz QDTUXOPNORXQSZ-KGLIPLIRSA-N 2 0 325.457 -0.212 20 0 EBADRP Cn1nncc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000969407957 725177304 /nfs/dbraw/zinc/17/73/04/725177304.db2.gz ZPIUDJRUSSQJSV-SCOKMKKDSA-N 2 0 346.435 -0.631 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC[N@@H+]1C ZINC000969723408 725206685 /nfs/dbraw/zinc/20/66/85/725206685.db2.gz YKHGHYLZFKAVSH-IGQOVBAYSA-N 2 0 336.436 -0.288 20 0 EBADRP C[NH+]1CCC(CC(=O)N2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)CC1 ZINC000970178447 725259135 /nfs/dbraw/zinc/25/91/35/725259135.db2.gz RKWXNZGAJPZLPM-OAHLLOKOSA-N 2 0 337.468 -0.066 20 0 EBADRP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1)C(N)=O ZINC000970231392 725265355 /nfs/dbraw/zinc/26/53/55/725265355.db2.gz PIFMJSHJEOWRAR-ZIAGYGMSSA-N 2 0 336.440 -0.487 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H]([NH2+][C@@H]3CCNC3=O)C2)cn1 ZINC000970231403 725265528 /nfs/dbraw/zinc/26/55/28/725265528.db2.gz PURRRKBKFYUXKL-ZIAGYGMSSA-N 2 0 334.424 -0.863 20 0 EBADRP C[NH+]([C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)[C@@H]1CCC(=O)NC1=O ZINC000971687089 725430457 /nfs/dbraw/zinc/43/04/57/725430457.db2.gz IUCKCIURUJBTGN-UONOGXRCSA-N 2 0 336.436 -0.191 20 0 EBADRP CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CCO2)C1=O ZINC001051654970 735295889 /nfs/dbraw/zinc/29/58/89/735295889.db2.gz BKCQOOWFSDIAON-HUUCEWRRSA-N 2 0 338.452 -0.482 20 0 EBADRP Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CCO1 ZINC001051655317 735295907 /nfs/dbraw/zinc/29/59/07/735295907.db2.gz ZTMMRABZSXRGHT-LSDHHAIUSA-N 2 0 336.440 -0.528 20 0 EBADRP O=C(C[NH+]1CCCC1)NC1CN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000991751670 725603678 /nfs/dbraw/zinc/60/36/78/725603678.db2.gz JZMUIAUATLYYJD-GJZGRUSLSA-N 2 0 336.436 -0.728 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000976284101 726253448 /nfs/dbraw/zinc/25/34/48/726253448.db2.gz KCZOCQHUUMSLJK-ODICJLLRSA-N 2 0 334.464 -0.006 20 0 EBADRP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC000996613600 726420192 /nfs/dbraw/zinc/42/01/92/726420192.db2.gz WCKPBYOCHVNQBJ-STQMWFEESA-N 2 0 336.436 -0.286 20 0 EBADRP Cn1cnnc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000996618949 726420244 /nfs/dbraw/zinc/42/02/44/726420244.db2.gz HZMPSGQNIILWNZ-GJZGRUSLSA-N 2 0 348.451 -0.241 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)nc1=O ZINC000996772492 726426293 /nfs/dbraw/zinc/42/62/93/726426293.db2.gz VSEFMTLSTCTUHD-UHFFFAOYSA-N 2 0 348.451 -0.183 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]C[C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000997304385 726445547 /nfs/dbraw/zinc/44/55/47/726445547.db2.gz UMRXFBZKPSZKQP-KBPBESRZSA-N 2 0 343.493 -0.047 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000997314423 726445918 /nfs/dbraw/zinc/44/59/18/726445918.db2.gz YBRWSCWODYVSJH-UKRRQHHQSA-N 2 0 338.452 -0.576 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000998730284 726496173 /nfs/dbraw/zinc/49/61/73/726496173.db2.gz KCLGKVCWRFIQRO-CHWSQXEVSA-N 2 0 337.424 -0.787 20 0 EBADRP C[NH+](C)C1(C(=O)N2CCC[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CCC1 ZINC000999346873 726515303 /nfs/dbraw/zinc/51/53/03/726515303.db2.gz GZVRSDHFVUNXNG-QWHCGFSZSA-N 2 0 336.436 -0.144 20 0 EBADRP C[N@H+](CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC000999366728 726516534 /nfs/dbraw/zinc/51/65/34/726516534.db2.gz ZLFMBCDGZLFCRM-GXTWGEPZSA-N 2 0 336.436 -0.144 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC000999402963 726518706 /nfs/dbraw/zinc/51/87/06/726518706.db2.gz LSMPUGABVURNTH-PNESKVBLSA-N 2 0 336.440 -0.471 20 0 EBADRP C[C@H]([NH2+]C1CC(N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1)C(N)=O ZINC000999538378 726522016 /nfs/dbraw/zinc/52/20/16/726522016.db2.gz QSZZWEBQGWHPEY-XGNXJENSSA-N 2 0 336.440 -0.489 20 0 EBADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2nnc3n2CCOC3)C1 ZINC000999838496 726534355 /nfs/dbraw/zinc/53/43/55/726534355.db2.gz XPNJOVGGYSNVNW-HSBZDZAISA-N 2 0 348.451 -0.161 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[NH+](CCCO)C2)nn1 ZINC000999963502 726545116 /nfs/dbraw/zinc/54/51/16/726545116.db2.gz RGIKCBULQHPLJM-GJZGRUSLSA-N 2 0 336.440 -0.382 20 0 EBADRP O=C(NCc1cn([C@@H]2CC[N@@H+](CCO)C2)nn1)[C@H]1C[NH+]2CCC1CC2 ZINC000999986994 726547550 /nfs/dbraw/zinc/54/75/50/726547550.db2.gz MKNCEUNCJBSJAM-CVEARBPZSA-N 2 0 348.451 -0.525 20 0 EBADRP Cn1[nH]c(C[NH2+][C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)nc1=O ZINC001000084210 726554122 /nfs/dbraw/zinc/55/41/22/726554122.db2.gz YOWHIMREKCUNDV-CYBMUJFWSA-N 2 0 336.440 -0.469 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001000922534 726583947 /nfs/dbraw/zinc/58/39/47/726583947.db2.gz BQSXPYNFCRSGLC-CHWSQXEVSA-N 2 0 337.424 -0.930 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NCC2=CCN(CC(N)=O)CC2)cn1 ZINC001001253150 726599148 /nfs/dbraw/zinc/59/91/48/726599148.db2.gz RIDXXLJJAQHFEJ-UHFFFAOYSA-N 2 0 334.424 -0.708 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC2=CC[NH+](C[C@@H](O)Cn3cccn3)CC2)C1 ZINC001001446414 726606608 /nfs/dbraw/zinc/60/66/08/726606608.db2.gz NGOVUXIXOVQQAV-DLBZAZTESA-N 2 0 347.463 -0.056 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001002083630 726631919 /nfs/dbraw/zinc/63/19/19/726631919.db2.gz LFNGQTLRUJFRLO-INIZCTEOSA-N 2 0 334.464 -0.001 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001002083319 726631953 /nfs/dbraw/zinc/63/19/53/726631953.db2.gz JIZONRFWQKGXRC-HZPDHXFCSA-N 2 0 334.464 -0.146 20 0 EBADRP O=C(NCC1CN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001002088807 726632145 /nfs/dbraw/zinc/63/21/45/726632145.db2.gz QEKCHIRALUQGDC-MRXNPFEDSA-N 2 0 346.475 -0.001 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC001002851885 726650895 /nfs/dbraw/zinc/65/08/95/726650895.db2.gz LATVIOSOADUYMZ-BNOWGMLFSA-N 2 0 336.436 -0.288 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001003330260 726669802 /nfs/dbraw/zinc/66/98/02/726669802.db2.gz ASDREWVPUWIGDO-CQSZACIVSA-N 2 0 334.464 -0.001 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)C1 ZINC001003626623 726682616 /nfs/dbraw/zinc/68/26/16/726682616.db2.gz SNMNCWVGVJIOLC-OCCSQVGLSA-N 2 0 336.436 -0.286 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC001003626625 726682668 /nfs/dbraw/zinc/68/26/68/726682668.db2.gz SNMNCWVGVJIOLC-TZMCWYRMSA-N 2 0 336.436 -0.286 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC[NH+](CCN2CCNC2=O)CC1 ZINC001003633711 726682874 /nfs/dbraw/zinc/68/28/74/726682874.db2.gz HGZUCXKLEFNEOV-ZFWWWQNUSA-N 2 0 337.468 -0.210 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC2CN(C(=O)Cc3cnc[nH]3)C2)C1 ZINC001003793679 726690570 /nfs/dbraw/zinc/69/05/70/726690570.db2.gz OZVUCJBVNLHKOJ-HNNXBMFYSA-N 2 0 349.435 -0.364 20 0 EBADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001005185100 726728283 /nfs/dbraw/zinc/72/82/83/726728283.db2.gz PSIOPVHESFBINW-KBPBESRZSA-N 2 0 336.436 -0.191 20 0 EBADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001005185102 726728295 /nfs/dbraw/zinc/72/82/95/726728295.db2.gz PSIOPVHESFBINW-UONOGXRCSA-N 2 0 336.436 -0.191 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCN2C(=O)CNC2=O)C1 ZINC001010381863 727080989 /nfs/dbraw/zinc/08/09/89/727080989.db2.gz DQAXUSQYIASXKU-CHWSQXEVSA-N 2 0 337.424 -0.787 20 0 EBADRP CC(C)[C@H](C(=O)N1CCO[C@H](C[NH2+]Cc2cnnn2C)C1)[NH+](C)C ZINC001051806330 735407197 /nfs/dbraw/zinc/40/71/97/735407197.db2.gz GBVKARBRZGDSMF-HUUCEWRRSA-N 2 0 338.456 -0.282 20 0 EBADRP CCN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)C1=O ZINC001051935828 735473423 /nfs/dbraw/zinc/47/34/23/735473423.db2.gz YGRJRNDRMLUROE-GJZGRUSLSA-N 2 0 338.452 -0.480 20 0 EBADRP CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)C1=O ZINC001051935825 735473483 /nfs/dbraw/zinc/47/34/83/735473483.db2.gz YGRJRNDRMLUROE-CABCVRRESA-N 2 0 338.452 -0.480 20 0 EBADRP O=C(N[C@@H]1CC[N@H+](CCN2CCNC2=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001014459612 727957106 /nfs/dbraw/zinc/95/71/06/727957106.db2.gz VTIQBIVCKWHZFD-CABCVRRESA-N 2 0 335.452 -0.456 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCCN3C(=O)CNC3=O)C2)C1 ZINC001016248649 728446174 /nfs/dbraw/zinc/44/61/74/728446174.db2.gz CLDMLXBJKBTJCS-STQMWFEESA-N 2 0 337.424 -0.930 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC23CC[NH+](CCN2CCNC2=O)CC3)C1 ZINC001016969190 728534605 /nfs/dbraw/zinc/53/46/05/728534605.db2.gz KECFNHYYYBKCGZ-GJZGRUSLSA-N 2 0 349.479 -0.066 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@H]([NH2+][C@@H]3CCNC3=O)C2)n1 ZINC001018861452 728696089 /nfs/dbraw/zinc/69/60/89/728696089.db2.gz UBRRFGTYJMJVCO-QWHCGFSZSA-N 2 0 334.424 -0.863 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001019779998 728989873 /nfs/dbraw/zinc/98/98/73/728989873.db2.gz CZSPYHREAQMNHJ-CABCVRRESA-N 2 0 336.440 -0.563 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nc1=O ZINC001020161652 729088882 /nfs/dbraw/zinc/08/88/82/729088882.db2.gz KNVPRAICEQCWRE-JHJVBQTASA-N 2 0 334.424 -0.813 20 0 EBADRP CCn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020178807 729092549 /nfs/dbraw/zinc/09/25/49/729092549.db2.gz FRNILRSFFPONSL-KBUPBQIOSA-N 2 0 348.451 -0.102 20 0 EBADRP CCn1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)nn1 ZINC001020179025 729092558 /nfs/dbraw/zinc/09/25/58/729092558.db2.gz LDYCDTGQDLHMOQ-SDADXPQNSA-N 2 0 348.451 -0.102 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001020297238 729126627 /nfs/dbraw/zinc/12/66/27/729126627.db2.gz DDLHHLDKUFVMGK-MGPQQGTHSA-N 2 0 336.436 -0.144 20 0 EBADRP O=C(N[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001020432247 729166148 /nfs/dbraw/zinc/16/61/48/729166148.db2.gz GWNSGEILOJSDAH-YXWQFLTLSA-N 2 0 348.447 -0.097 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001020592435 729206947 /nfs/dbraw/zinc/20/69/47/729206947.db2.gz FPKMSDRSNQLGGB-ZQDZILKHSA-N 2 0 338.452 -0.720 20 0 EBADRP Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)c3cnn(CC[NH+](C)C)c3)C2)nn1 ZINC001020720443 729222987 /nfs/dbraw/zinc/22/29/87/729222987.db2.gz BSTJBZSNGYPUSQ-HDJSIYSDSA-N 2 0 346.439 -0.376 20 0 EBADRP Cc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)c3cnn(CC[NH+](C)C)c3)C2)[nH]1 ZINC001020722045 729223438 /nfs/dbraw/zinc/22/34/38/729223438.db2.gz VQFIJBXJFNOLNA-HDJSIYSDSA-N 2 0 346.439 -0.078 20 0 EBADRP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]([NH2+]CCN3CCNC3=O)C2)CC1 ZINC001020818636 729243162 /nfs/dbraw/zinc/24/31/62/729243162.db2.gz VVXPEBPKEJDSRJ-SHTZXODSSA-N 2 0 337.468 -0.020 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001021049353 729275243 /nfs/dbraw/zinc/27/52/43/729275243.db2.gz NBMFIYGDBKWDEY-AJNGGQMLSA-N 2 0 343.493 0.000 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)nc1=O ZINC001022078257 729452208 /nfs/dbraw/zinc/45/22/08/729452208.db2.gz ZQQHTWARKLAFIE-FQUUOJAGSA-N 2 0 348.451 -0.280 20 0 EBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1)C(N)=O ZINC001022455631 729495579 /nfs/dbraw/zinc/49/55/79/729495579.db2.gz XJUSIPHQMPTLFO-MMAYTEPVSA-N 2 0 336.436 -0.650 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001022718873 729525163 /nfs/dbraw/zinc/52/51/63/729525163.db2.gz FPKMSDRSNQLGGB-KBXIAJHMSA-N 2 0 338.452 -0.720 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001023086469 729598923 /nfs/dbraw/zinc/59/89/23/729598923.db2.gz NBMFIYGDBKWDEY-LJISPDSOSA-N 2 0 343.493 0.000 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001023086470 729598980 /nfs/dbraw/zinc/59/89/80/729598980.db2.gz NBMFIYGDBKWDEY-TUVASFSCSA-N 2 0 343.493 0.000 20 0 EBADRP Cn1cncc1CC(=O)N1CCC[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001024237261 729864650 /nfs/dbraw/zinc/86/46/50/729864650.db2.gz STICLYLMWTYJAE-GFCCVEGCSA-N 2 0 347.423 -0.587 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)nc1=O ZINC001024266736 729868033 /nfs/dbraw/zinc/86/80/33/729868033.db2.gz SIQCXSQVBJOGKZ-CYBMUJFWSA-N 2 0 336.440 -0.468 20 0 EBADRP CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1=O ZINC001025794040 730089627 /nfs/dbraw/zinc/08/96/27/730089627.db2.gz NXQJCEXSSYUZTM-ODICJLLRSA-N 2 0 334.464 -0.006 20 0 EBADRP O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@H]2CO1)N1CCC1 ZINC001025797847 730089935 /nfs/dbraw/zinc/08/99/35/730089935.db2.gz XROKGTSVQXJBLH-DEQQHWRFSA-N 2 0 348.447 -0.872 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025798632 730090329 /nfs/dbraw/zinc/09/03/29/730090329.db2.gz BDOBHNVGYNJLFP-OWYFMNJBSA-N 2 0 346.435 -0.812 20 0 EBADRP Cn1cncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025799057 730090461 /nfs/dbraw/zinc/09/04/61/730090461.db2.gz RCSCZUUBTKCUQT-WSOGKROESA-N 2 0 345.447 -0.170 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H]4CCNC(=O)CC4)C[C@H]32)C1 ZINC001026145817 730125167 /nfs/dbraw/zinc/12/51/67/730125167.db2.gz MDXWVUPWFOSMCY-LVNYTYFRSA-N 2 0 334.464 -0.099 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001026145987 730125673 /nfs/dbraw/zinc/12/56/73/730125673.db2.gz DGCBJPXQSHHXMD-RFBLXINOSA-N 2 0 333.436 -0.758 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CCO)[C@H]3C2)n1 ZINC001026270081 730134881 /nfs/dbraw/zinc/13/48/81/730134881.db2.gz XCAVQLDDSMXXEJ-KKUMJFAQSA-N 2 0 335.452 -0.123 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)nc1=O ZINC001026886330 730167043 /nfs/dbraw/zinc/16/70/43/730167043.db2.gz VONRDWXDJVBTBO-LBPRGKRZSA-N 2 0 336.440 -0.469 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnnn3C3CC3)C2)C1 ZINC001027214950 730199894 /nfs/dbraw/zinc/19/98/94/730199894.db2.gz AUGSNHQPGWAGJG-CHWSQXEVSA-N 2 0 333.440 -0.102 20 0 EBADRP C[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001027635786 730230776 /nfs/dbraw/zinc/23/07/76/730230776.db2.gz ZQWVRYAGXYJSCV-UONOGXRCSA-N 2 0 340.468 -0.106 20 0 EBADRP C[N@H+](CCN1CCNC1=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001027681363 730234026 /nfs/dbraw/zinc/23/40/26/730234026.db2.gz VJGXPMBICHDKTA-HUUCEWRRSA-N 2 0 337.468 -0.114 20 0 EBADRP O=C(NC[C@H]1CCC[N@@H+]1CCN1C(=O)CNC1=O)C12CC[NH+](CC1)C2 ZINC001028268537 730278980 /nfs/dbraw/zinc/27/89/80/730278980.db2.gz VEDVMGOWBPEREJ-CYBMUJFWSA-N 2 0 349.435 -0.785 20 0 EBADRP COc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3CN(C)CCO3)C2)nn1 ZINC001028465943 730296723 /nfs/dbraw/zinc/29/67/23/730296723.db2.gz NJBCORYBNLLZJX-HIFRSBDPSA-N 2 0 349.435 -0.246 20 0 EBADRP CCn1nncc1CN1CC[C@@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001028466254 730296999 /nfs/dbraw/zinc/29/69/99/730296999.db2.gz PCJOEAKLBJBLCQ-DZGCQCFKSA-N 2 0 336.440 -0.433 20 0 EBADRP COc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3CN(C)CCO3)C2)nn1 ZINC001028465942 730297270 /nfs/dbraw/zinc/29/72/70/730297270.db2.gz NJBCORYBNLLZJX-DZGCQCFKSA-N 2 0 349.435 -0.246 20 0 EBADRP O=C(C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1)N1CCC1 ZINC001028544946 730311530 /nfs/dbraw/zinc/31/15/30/730311530.db2.gz LFXLZHDEJJMXLW-ZBFHGGJFSA-N 2 0 334.464 -0.001 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCC(=O)NC1=O)C1CC1 ZINC001029338250 730399799 /nfs/dbraw/zinc/39/97/99/730399799.db2.gz WJYRJGDPMCGRMH-HLPPOEQASA-N 2 0 348.447 -0.193 20 0 EBADRP C[N@H+](C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1CCC(=O)NC1=O ZINC001029887363 730519401 /nfs/dbraw/zinc/51/94/01/730519401.db2.gz BEHARTQWSQZXGH-UONOGXRCSA-N 2 0 348.447 -0.332 20 0 EBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC2C[NH+](CCO)C2)CC1 ZINC001031679414 730750324 /nfs/dbraw/zinc/75/03/24/730750324.db2.gz UXLINFKCIGRQHY-CVEARBPZSA-N 2 0 325.453 -0.226 20 0 EBADRP O=C(NCC1C[NH+](CCn2cccn2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031688516 730750663 /nfs/dbraw/zinc/75/06/63/730750663.db2.gz HCRYZVZUNYNRPD-CVEARBPZSA-N 2 0 333.436 -0.206 20 0 EBADRP O=C(NCC1C[NH+](C[C@@H]2CCOC2)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001031857451 730781070 /nfs/dbraw/zinc/78/10/70/730781070.db2.gz VNIDIBVLPRIILX-DFFOAJLQSA-N 2 0 335.448 -0.066 20 0 EBADRP O=C(NCC1C[NH+](C[C@H]2CCc3ncnn32)C1)C12CC[NH+](CC1)C2 ZINC001032130169 730816773 /nfs/dbraw/zinc/81/67/73/730816773.db2.gz GXXPKYAKJJOGHL-CQSZACIVSA-N 2 0 330.436 -0.091 20 0 EBADRP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H](O)Cn2cccn2)CC1 ZINC001032603382 730898148 /nfs/dbraw/zinc/89/81/48/730898148.db2.gz ZJVYXEOEMDLLEQ-YESZJQIVSA-N 2 0 347.463 -0.129 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](C[C@H](O)CN3CCCC3=O)C2)C1 ZINC001032833258 730941516 /nfs/dbraw/zinc/94/15/16/730941516.db2.gz RQESLCKKFFOLEG-KKUMJFAQSA-N 2 0 338.452 -0.888 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)nc1=O ZINC001034791821 731157295 /nfs/dbraw/zinc/15/72/95/731157295.db2.gz SSZFLJNBAIEMMY-JHJVBQTASA-N 2 0 336.440 -0.423 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC001034792043 731157406 /nfs/dbraw/zinc/15/74/06/731157406.db2.gz CSKHIJAFARPYEH-XDQVBPFNSA-N 2 0 336.436 -0.240 20 0 EBADRP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001035039655 731180083 /nfs/dbraw/zinc/18/00/83/731180083.db2.gz IGMDEWVZFHXUGA-UMVBOHGHSA-N 2 0 338.452 -0.042 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2C[C@@H](O)Cn2cccn2)CC1 ZINC001038672292 731362989 /nfs/dbraw/zinc/36/29/89/731362989.db2.gz VGZZHMMTYWWFMQ-JKSUJKDBSA-N 2 0 335.452 -0.224 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001039785399 731533638 /nfs/dbraw/zinc/53/36/38/731533638.db2.gz IZDIWLBSQJUWIB-RHSMWYFYSA-N 2 0 340.468 -0.498 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001040098758 731597049 /nfs/dbraw/zinc/59/70/49/731597049.db2.gz FCERUVFPUWOXKE-WMLDXEAASA-N 2 0 340.468 -0.500 20 0 EBADRP CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)[C@H](CC)[NH+](C)C)C1)[NH+](C)C ZINC001040203519 731642811 /nfs/dbraw/zinc/64/28/11/731642811.db2.gz YUIBJUMEQWBMOW-KEYYUXOJSA-N 2 0 342.484 -0.254 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001040447340 731737306 /nfs/dbraw/zinc/73/73/06/731737306.db2.gz QHEVFHJMKPWLRV-WMLDXEAASA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001040496716 731759860 /nfs/dbraw/zinc/75/98/60/731759860.db2.gz YTZIPWQDDPMWLM-CKEIUWERSA-N 2 0 338.452 -0.746 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001040715561 731844100 /nfs/dbraw/zinc/84/41/00/731844100.db2.gz YQHUKEVWXGULHB-KRWDZBQOSA-N 2 0 340.468 -0.641 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040719867 731846606 /nfs/dbraw/zinc/84/66/06/731846606.db2.gz YIVLOOIWACTIFK-QGZVFWFLSA-N 2 0 342.484 -0.252 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001040798240 731879080 /nfs/dbraw/zinc/87/90/80/731879080.db2.gz OUWFHNKZPMMZHY-KRWDZBQOSA-N 2 0 338.452 -0.887 20 0 EBADRP CC(C)[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001040797611 731879306 /nfs/dbraw/zinc/87/93/06/731879306.db2.gz KLBNJBURWWHJQO-DOTOQJQBSA-N 2 0 342.484 -0.396 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001040801274 731881165 /nfs/dbraw/zinc/88/11/65/731881165.db2.gz PAJYPZNNBKNNDP-YOEHRIQHSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001040900984 731910521 /nfs/dbraw/zinc/91/05/21/731910521.db2.gz DFHWJNFSBARJML-KRWDZBQOSA-N 2 0 340.468 -0.496 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001040901449 731910952 /nfs/dbraw/zinc/91/09/52/731910952.db2.gz JTEXNAUPTPMDHK-RHSMWYFYSA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@]2(O)CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001040927437 731924776 /nfs/dbraw/zinc/92/47/76/731924776.db2.gz RBTRJBLIFMYCQG-RHSMWYFYSA-N 2 0 340.468 -0.641 20 0 EBADRP NC(=O)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC001041487735 732139561 /nfs/dbraw/zinc/13/95/61/732139561.db2.gz DDZCCDPAZYURJD-YHOSQGMISA-N 2 0 348.447 -0.741 20 0 EBADRP CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC001042098891 732310514 /nfs/dbraw/zinc/31/05/14/732310514.db2.gz YAXPYLSPPPXYPM-CHWSQXEVSA-N 2 0 326.441 -0.890 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001042103954 732314895 /nfs/dbraw/zinc/31/48/95/732314895.db2.gz KIGXUVYBTADRJZ-KBPBESRZSA-N 2 0 338.452 -0.888 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001061595765 738635708 /nfs/dbraw/zinc/63/57/08/738635708.db2.gz OGYREWMDNQCBKG-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001061602629 738643094 /nfs/dbraw/zinc/64/30/94/738643094.db2.gz MRXYVGFTRYSMSQ-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)C1 ZINC001043127272 732775829 /nfs/dbraw/zinc/77/58/29/732775829.db2.gz IIOIHQZHPAHLRS-CQSZACIVSA-N 2 0 338.452 -0.887 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043128104 732776415 /nfs/dbraw/zinc/77/64/15/732776415.db2.gz UGGMMFROOQVALV-UHFFFAOYSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001043157653 732793902 /nfs/dbraw/zinc/79/39/02/732793902.db2.gz IFYZDRUWNZKLQL-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001043157366 732794030 /nfs/dbraw/zinc/79/40/30/732794030.db2.gz AOGHKFLHXFQJCV-UHFFFAOYSA-N 2 0 328.457 -0.641 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001043159867 732795860 /nfs/dbraw/zinc/79/58/60/732795860.db2.gz KNTKBHKHQNCJSB-KGLIPLIRSA-N 2 0 340.468 -0.785 20 0 EBADRP CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)[NH+](C)C ZINC001043261100 732847451 /nfs/dbraw/zinc/84/74/51/732847451.db2.gz HGEPDGHKZSUJFB-MGPQQGTHSA-N 2 0 340.468 -0.644 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043333511 732874387 /nfs/dbraw/zinc/87/43/87/732874387.db2.gz AUJIDYSQJZZLKY-CYBMUJFWSA-N 2 0 346.447 -0.693 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001043430333 732935191 /nfs/dbraw/zinc/93/51/91/732935191.db2.gz JYGJUUMLZGUEAV-UHFFFAOYSA-N 2 0 340.468 -0.500 20 0 EBADRP CC(C)[NH+](C)CC(=O)N1CC(O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001043430225 732935512 /nfs/dbraw/zinc/93/55/12/732935512.db2.gz IYPDCMRPUAXJHB-UHFFFAOYSA-N 2 0 328.457 -0.644 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001043431369 732936169 /nfs/dbraw/zinc/93/61/69/732936169.db2.gz QYNJUOCXSKUKKB-AWEZNQCLSA-N 2 0 340.468 -0.642 20 0 EBADRP C[NH+](C)C1(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CCC1 ZINC001043448338 732946134 /nfs/dbraw/zinc/94/61/34/732946134.db2.gz DZQDLXRBNUDBGD-ZDUSSCGKSA-N 2 0 338.452 -0.746 20 0 EBADRP CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001043478236 732966251 /nfs/dbraw/zinc/96/62/51/732966251.db2.gz MZLKROWOMVHXGI-AWEZNQCLSA-N 2 0 328.457 -0.786 20 0 EBADRP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001043662388 733048982 /nfs/dbraw/zinc/04/89/82/733048982.db2.gz UOBKRYCZCXHGIN-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001061651699 738672799 /nfs/dbraw/zinc/67/27/99/738672799.db2.gz VQMPWBUEVNJGCU-LSDHHAIUSA-N 2 0 340.468 -0.378 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001061657795 738677682 /nfs/dbraw/zinc/67/76/82/738677682.db2.gz DJERPSBLFMCAQD-GOEBONIOSA-N 2 0 340.468 -0.378 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001043774177 733107621 /nfs/dbraw/zinc/10/76/21/733107621.db2.gz UNXBFQADHKBQFL-AWEZNQCLSA-N 2 0 340.468 -0.500 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001061663931 738683362 /nfs/dbraw/zinc/68/33/62/738683362.db2.gz SIGWIXNJITWOSC-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001044037077 733256322 /nfs/dbraw/zinc/25/63/22/733256322.db2.gz BTSOHXPANOBCPM-UHFFFAOYSA-N 2 0 349.435 -0.598 20 0 EBADRP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001044144509 733300705 /nfs/dbraw/zinc/30/07/05/733300705.db2.gz LFLXOITXTIBGSB-UHFFFAOYSA-N 2 0 345.403 -0.411 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)C1 ZINC001044298545 733365692 /nfs/dbraw/zinc/36/56/92/733365692.db2.gz NMBZIVOUTQAABE-KBPBESRZSA-N 2 0 340.468 -0.785 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001044301950 733367670 /nfs/dbraw/zinc/36/76/70/733367670.db2.gz BZTOETSETBCCSD-ZIAGYGMSSA-N 2 0 340.468 -0.642 20 0 EBADRP C[NH+](C)C1(C(=O)N2CCC[C@H]2C[NH2+][C@@H]2CCC(=O)NC2=O)CCC1 ZINC001045068399 733570887 /nfs/dbraw/zinc/57/08/87/733570887.db2.gz JXZJUFKSBDJYGG-QWHCGFSZSA-N 2 0 336.436 -0.144 20 0 EBADRP C[N@H+](CC(=O)N1CCC[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O)C1CCC1 ZINC001045070839 733571495 /nfs/dbraw/zinc/57/14/95/733571495.db2.gz YSTFILPCFOOPTA-UONOGXRCSA-N 2 0 336.436 -0.144 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001045391245 733683497 /nfs/dbraw/zinc/68/34/97/733683497.db2.gz BAXAJQQYGSMQQJ-UHFFFAOYSA-N 2 0 340.468 -0.641 20 0 EBADRP CC1(NC(=O)C23CC[NH+](CC2)C3)CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001045621917 733738591 /nfs/dbraw/zinc/73/85/91/733738591.db2.gz VIWOMTPTKZNUHF-CYBMUJFWSA-N 2 0 348.447 -0.142 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC3(CO2)CC[NH+](CCO)CC3)C1 ZINC001045685072 733753931 /nfs/dbraw/zinc/75/39/31/733753931.db2.gz DTFWBXDKEDGDIS-LSDHHAIUSA-N 2 0 325.453 -0.082 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045713395 733757423 /nfs/dbraw/zinc/75/74/23/733757423.db2.gz FHRJYSAFILIAQN-UHFFFAOYSA-N 2 0 328.457 -0.642 20 0 EBADRP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001045716605 733758439 /nfs/dbraw/zinc/75/84/39/733758439.db2.gz LIULRYXNAJFOBK-UHFFFAOYSA-N 2 0 340.468 -0.496 20 0 EBADRP CC1CC[NH+](CC(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)CC1 ZINC001045716866 733758783 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CC[N@H+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061899244 738804422 /nfs/dbraw/zinc/80/44/22/738804422.db2.gz UFRMNJBOJPNIGY-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C[NH2+]Cc1nnnn1C ZINC001048278965 734379868 /nfs/dbraw/zinc/37/98/68/734379868.db2.gz FVYPBEWXJMFCTF-STQMWFEESA-N 2 0 335.456 -0.122 20 0 EBADRP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C[NH2+]Cc1nnnn1C ZINC001048364830 734400811 /nfs/dbraw/zinc/40/08/11/734400811.db2.gz BBDGZIZBJZZIDK-JSGCOSHPSA-N 2 0 335.456 -0.264 20 0 EBADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C[NH2+]Cc1nnnn1C ZINC001048442545 734419604 /nfs/dbraw/zinc/41/96/04/734419604.db2.gz VRNRKCIDZMAXBV-STQMWFEESA-N 2 0 333.440 -0.510 20 0 EBADRP CNC(=O)[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001048823410 734525378 /nfs/dbraw/zinc/52/53/78/734525378.db2.gz CGZRFPOYAXJRJG-DMRZNYOFSA-N 2 0 334.464 -0.147 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]2C1 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TUUFVZKIFWVUIE-CHWSQXEVSA-N 2 0 326.441 -0.733 20 0 EBADRP CC(=O)NCC[NH+]1CCC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001055480139 736351454 /nfs/dbraw/zinc/35/14/54/736351454.db2.gz OAUHSPFUCNMSCW-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP COC[C@H](C)C(=O)NCC[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001055544353 736376956 /nfs/dbraw/zinc/37/69/56/736376956.db2.gz RXSHMEAZGRIYSO-AWEZNQCLSA-N 2 0 342.484 -0.083 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCC(NC(=O)c3cocn3)CC2)C1 ZINC001055577765 736391451 /nfs/dbraw/zinc/39/14/51/736391451.db2.gz AONJNRZQTPKUGZ-ZDUSSCGKSA-N 2 0 349.435 -0.063 20 0 EBADRP COCCC(=O)NC1CC[NH+](CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001055578664 736392052 /nfs/dbraw/zinc/39/20/52/736392052.db2.gz SRPOWVUYNQLNAQ-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001055979918 736579005 /nfs/dbraw/zinc/57/90/05/736579005.db2.gz CUIVBMMRULPVQU-KRWDZBQOSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[C@H](C(=O)N[C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001055995344 736585210 /nfs/dbraw/zinc/58/52/10/736585210.db2.gz PSUOKBMZCZNXTF-PBHICJAKSA-N 2 0 342.484 -0.252 20 0 EBADRP C[NH+](C)C1(C(=O)NCCN(CCO)C(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001057212113 737084501 /nfs/dbraw/zinc/08/45/01/737084501.db2.gz JAJYTYOCGQKCJT-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001057212049 737084552 /nfs/dbraw/zinc/08/45/52/737084552.db2.gz ILTXOZHEILALMO-CQSZACIVSA-N 2 0 328.457 -0.641 20 0 EBADRP CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC001057212302 737084717 /nfs/dbraw/zinc/08/47/17/737084717.db2.gz LIMUKUZTLPGQOV-UONOGXRCSA-N 2 0 328.457 -0.642 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1CC[NH+](C)C1 ZINC001057632303 737370840 /nfs/dbraw/zinc/37/08/40/737370840.db2.gz LVVRZVDSCUPFFX-AWEZNQCLSA-N 2 0 328.457 -0.783 20 0 EBADRP C[NH+](C)CC1(C(=O)NCCN(CCO)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001057636787 737376971 /nfs/dbraw/zinc/37/69/71/737376971.db2.gz YXFLIVYJHDWEOS-CQSZACIVSA-N 2 0 340.468 -0.783 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057641764 737382705 /nfs/dbraw/zinc/38/27/05/737382705.db2.gz DMRTYTRZADSMMH-CABCVRRESA-N 2 0 340.468 -0.783 20 0 EBADRP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001057659538 737397169 /nfs/dbraw/zinc/39/71/69/737397169.db2.gz SIWWTFPCBZFZIM-HNNXBMFYSA-N 2 0 342.484 -0.393 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001057857671 737477864 /nfs/dbraw/zinc/47/78/64/737477864.db2.gz JIOKOPZLJZBTNK-HUUCEWRRSA-N 2 0 342.484 -0.252 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(CCO)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001057863079 737483485 /nfs/dbraw/zinc/48/34/85/737483485.db2.gz DZCYHQPBGQAVAY-UHFFFAOYSA-N 2 0 340.468 -0.641 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001057863195 737483527 /nfs/dbraw/zinc/48/35/27/737483527.db2.gz ISRAEWVDDBBDDM-CQSZACIVSA-N 2 0 328.457 -0.642 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(CCO)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001057863132 737483641 /nfs/dbraw/zinc/48/36/41/737483641.db2.gz HAWFTONJJDBSJB-UHFFFAOYSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001057882270 737502060 /nfs/dbraw/zinc/50/20/60/737502060.db2.gz IWDPTRLIEDKNFK-INIZCTEOSA-N 2 0 344.500 -0.149 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N(CCO)CCNC(=O)CCC[NH+](C)C ZINC001057942334 737546135 /nfs/dbraw/zinc/54/61/35/737546135.db2.gz BHGSEFBPDFTTOS-UHFFFAOYSA-N 2 0 344.500 -0.004 20 0 EBADRP CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H](C1CC1)[NH+](C)C)[NH+](C)C ZINC001057975037 737571281 /nfs/dbraw/zinc/57/12/81/737571281.db2.gz CRENJEFDEBEKSB-HUUCEWRRSA-N 2 0 342.484 -0.396 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H](CC)[NH+](C)C ZINC001057975016 737571506 /nfs/dbraw/zinc/57/15/06/737571506.db2.gz CFGZALICDBZKPZ-CQSZACIVSA-N 2 0 330.473 -0.395 20 0 EBADRP CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001057975626 737573127 /nfs/dbraw/zinc/57/31/27/737573127.db2.gz ZHJUQDYAHLBJRG-UONOGXRCSA-N 2 0 328.457 -0.785 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001058157544 737679745 /nfs/dbraw/zinc/67/97/45/737679745.db2.gz AQZQOHSMUSLEGN-HNNXBMFYSA-N 2 0 342.484 -0.393 20 0 EBADRP C[NH+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001058157856 737680283 /nfs/dbraw/zinc/68/02/83/737680283.db2.gz JFJVKMCESPZZMF-HUUCEWRRSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001058159513 737682945 /nfs/dbraw/zinc/68/29/45/737682945.db2.gz MJVZVWZCWUMCFP-HUUCEWRRSA-N 2 0 340.468 -0.783 20 0 EBADRP CC[C@@H](C(=O)N(CCO)CCNC(=O)C[N@H+](C)C1CCC1)[NH+](C)C ZINC001058169815 737691225 /nfs/dbraw/zinc/69/12/25/737691225.db2.gz LNIUBOIYQQSKSZ-HNNXBMFYSA-N 2 0 342.484 -0.252 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001058254056 737736196 /nfs/dbraw/zinc/73/61/96/737736196.db2.gz SMBVERHNHBBGTR-UHFFFAOYSA-N 2 0 340.468 -0.639 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)C(C)(C)[NH+](C)CC ZINC001058255123 737736813 /nfs/dbraw/zinc/73/68/13/737736813.db2.gz CZFNKGUCBAIRCR-UHFFFAOYSA-N 2 0 344.500 -0.004 20 0 EBADRP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058607781 737920141 /nfs/dbraw/zinc/92/01/41/737920141.db2.gz NZZKVDUKKHIKCB-UHFFFAOYSA-N 2 0 330.473 -0.393 20 0 EBADRP C[NH+](C)CCCCC(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058710709 737961320 /nfs/dbraw/zinc/96/13/20/737961320.db2.gz LKUDQHQVLQPYPF-UHFFFAOYSA-N 2 0 330.473 -0.393 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058710885 737961367 /nfs/dbraw/zinc/96/13/67/737961367.db2.gz SUXCZGKCHAJEGJ-UONOGXRCSA-N 2 0 328.457 -0.927 20 0 EBADRP CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001058815166 738002955 /nfs/dbraw/zinc/00/29/55/738002955.db2.gz OSCGTMKOHOIXHH-OAHLLOKOSA-N 2 0 342.484 -0.393 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC001058849364 738031627 /nfs/dbraw/zinc/03/16/27/738031627.db2.gz SMUAVQKPVUWLEG-LSDHHAIUSA-N 2 0 342.484 -0.539 20 0 EBADRP C[NH+](C)CCC(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001058850068 738033484 /nfs/dbraw/zinc/03/34/84/738033484.db2.gz CAYPKDAAOSRSPV-UHFFFAOYSA-N 2 0 342.484 -0.393 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)[C@H]2CCC[NH+]2C)CCO1 ZINC001064978375 739456987 /nfs/dbraw/zinc/45/69/87/739456987.db2.gz RDCMQIBBTKJKLT-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001065169409 739574534 /nfs/dbraw/zinc/57/45/34/739574534.db2.gz LPEDRVVQOLZETK-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@H](CNC(=O)C[NH+]3CCCC3)C2)C1 ZINC001065170044 739575075 /nfs/dbraw/zinc/57/50/75/739575075.db2.gz UVONBMZSICJNDO-LSDHHAIUSA-N 2 0 338.452 -0.623 20 0 EBADRP CC[C@H](C(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1)[NH+](C)C ZINC001065171829 739576991 /nfs/dbraw/zinc/57/69/91/739576991.db2.gz MKBSDEIWHCGCFL-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001065571783 739768156 /nfs/dbraw/zinc/76/81/56/739768156.db2.gz BUZITHDDVPIVQZ-AWEZNQCLSA-N 2 0 338.452 -0.623 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001065621198 739808809 /nfs/dbraw/zinc/80/88/09/739808809.db2.gz KHXBNSNVMWRJCA-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001068454049 740330655 /nfs/dbraw/zinc/33/06/55/740330655.db2.gz IIBUYHNAUDLWJA-AWEZNQCLSA-N 2 0 338.452 -0.528 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCOC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068461680 740333535 /nfs/dbraw/zinc/33/35/35/740333535.db2.gz SUSJDAAZGJCXBR-UHFFFAOYSA-N 2 0 340.468 -0.280 20 0 EBADRP C[NH+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)C[NH+]1CCCC1)CO2 ZINC001068874000 740477419 /nfs/dbraw/zinc/47/74/19/740477419.db2.gz JHLAQMSHEDTASZ-CQSZACIVSA-N 2 0 338.452 -0.480 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069013587 740523277 /nfs/dbraw/zinc/52/32/77/740523277.db2.gz PUJGFQBZVOABLC-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2n2ccnn2)C1 ZINC001070076543 740685267 /nfs/dbraw/zinc/68/52/67/740685267.db2.gz RQYACVJGXPVMFI-KFWWJZLASA-N 2 0 336.440 -0.656 20 0 EBADRP O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1)C12CC[NH+](CC1)C2 ZINC001070078158 740685883 /nfs/dbraw/zinc/68/58/83/740685883.db2.gz YDROKVZLPRZEQC-KGLIPLIRSA-N 2 0 334.424 -0.902 20 0 EBADRP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001070077394 740686165 /nfs/dbraw/zinc/68/61/65/740686165.db2.gz DPRLZVSAOXRYOF-ZNMIVQPWSA-N 2 0 348.451 -0.250 20 0 EBADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001070265645 740773831 /nfs/dbraw/zinc/77/38/31/740773831.db2.gz RRPFLIZQMNPGFE-CFVMTHIKSA-N 2 0 336.440 -0.658 20 0 EBADRP Cn1cncc1[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CCO ZINC001070655661 740911258 /nfs/dbraw/zinc/91/12/58/740911258.db2.gz XFWJVDIVBWZFPR-FMKPAKJESA-N 2 0 335.452 -0.363 20 0 EBADRP Cn1cncc1[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CCO ZINC001070683383 740918734 /nfs/dbraw/zinc/91/87/34/740918734.db2.gz LCMNIJZZCBYAKC-HUUCEWRRSA-N 2 0 335.452 -0.362 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(N)=O)CC2)C1 ZINC001071104364 741060517 /nfs/dbraw/zinc/06/05/17/741060517.db2.gz UNQNPFODYUSUPB-LZWOXQAQSA-N 2 0 338.452 -0.591 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001071254803 741104315 /nfs/dbraw/zinc/10/43/15/741104315.db2.gz VYSVFOPQLZENDY-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)CCC[NH+](C)C ZINC001072432735 741398427 /nfs/dbraw/zinc/39/84/27/741398427.db2.gz LNTNDBFPHIAHPH-CABCVRRESA-N 2 0 342.484 -0.131 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CC2(C1)CC[N@@H+]([C@H]1CCC(=O)NC1=O)C2)C1CC1 ZINC001072814542 741492869 /nfs/dbraw/zinc/49/28/69/741492869.db2.gz IPYUGUWFTDCTAG-ZFWWWQNUSA-N 2 0 348.447 -0.334 20 0 EBADRP CC[C@H](C(=O)N1CC2(C1)CC[N@@H+]([C@@H]1CCC(=O)NC1=O)C2)[NH+](C)C ZINC001072851214 741503050 /nfs/dbraw/zinc/50/30/50/741503050.db2.gz OBVQHTSCKCMMQE-CHWSQXEVSA-N 2 0 336.436 -0.334 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC3(C2)CC[NH+](CCN2CCNC2=O)C3)C1 ZINC001072983399 741534288 /nfs/dbraw/zinc/53/42/88/741534288.db2.gz VFCWXSTZBBTNLU-OAHLLOKOSA-N 2 0 349.479 -0.112 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CC3(C2)CC[NH+]([C@@H]2CCC(=O)NC2=O)C3)C1 ZINC001072983005 741534417 /nfs/dbraw/zinc/53/44/17/741534417.db2.gz IEKADWSKBVCEDG-UONOGXRCSA-N 2 0 348.447 -0.332 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[NH+](CCN2C(=O)CNC2=O)C3)C1 ZINC001073425706 741611731 /nfs/dbraw/zinc/61/17/31/741611731.db2.gz FQECUMQPZLNEDY-CYBMUJFWSA-N 2 0 349.435 -0.976 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CC[NH+](CCN2CCNC2=O)C3)C1 ZINC001073425757 741611932 /nfs/dbraw/zinc/61/19/32/741611932.db2.gz GTYJOFIGXRVISY-AWEZNQCLSA-N 2 0 335.452 -0.502 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC2(C1)CC[N@@H+](C[C@H](O)Cn1cccn1)C2 ZINC001073431443 741612933 /nfs/dbraw/zinc/61/29/33/741612933.db2.gz YKZJOOPYQGZJJL-INIZCTEOSA-N 2 0 347.463 -0.126 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](CCCO)CCCO2)C1 ZINC001073740067 741728579 /nfs/dbraw/zinc/72/85/79/741728579.db2.gz BFELQJVXMADAPU-HOTGVXAUSA-N 2 0 343.468 -0.315 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](CCn3cncn3)CCCO2)C1 ZINC001073891933 741776800 /nfs/dbraw/zinc/77/68/00/741776800.db2.gz VRZHBBMZJKQLPG-HUUCEWRRSA-N 2 0 336.440 -0.563 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1NC(=O)COCC[NH+](C)C ZINC001074080601 741826802 /nfs/dbraw/zinc/82/68/02/741826802.db2.gz UTJIQKBUPDXLJP-HUUCEWRRSA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@H]1[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001074687727 742066435 /nfs/dbraw/zinc/06/64/35/742066435.db2.gz BWRBMZXQIJVUSJ-FPMFFAJLSA-N 2 0 336.436 -0.145 20 0 EBADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H]1C)C(N)=O ZINC001075003227 742156260 /nfs/dbraw/zinc/15/62/60/742156260.db2.gz HZSPIONFJYQEQQ-QEJZJMRPSA-N 2 0 340.468 -0.060 20 0 EBADRP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCN4CCNC4=O)C[C@H]32)CC1 ZINC001076206376 742405794 /nfs/dbraw/zinc/40/57/94/742405794.db2.gz LUQUJAXZKOZZSW-JKSUJKDBSA-N 2 0 349.479 -0.114 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001076242334 742418732 /nfs/dbraw/zinc/41/87/32/742418732.db2.gz ANEJHVRHFKUFTI-OWCLPIDISA-N 2 0 349.479 -0.114 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC001076569023 742498751 /nfs/dbraw/zinc/49/87/51/742498751.db2.gz GZFIAKQKKKACJI-BFHYXJOUSA-N 2 0 349.435 -0.977 20 0 EBADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)COCC[NH+](C)C ZINC001076586727 742504929 /nfs/dbraw/zinc/50/49/29/742504929.db2.gz IASPMDJXDLPEFE-UONOGXRCSA-N 2 0 328.457 -0.473 20 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AQFRQNWTBFSLGP-INIZCTEOSA-N 2 0 335.452 -0.126 20 0 EBADRP C[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989684781 808556833 /nfs/dbraw/zinc/55/68/33/808556833.db2.gz XAOXFMOPKKXMLP-UONOGXRCSA-N 2 0 335.452 -0.314 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000990523067 808824810 /nfs/dbraw/zinc/82/48/10/808824810.db2.gz KQSLFBXQWYQINB-ZFWWWQNUSA-N 2 0 338.452 -0.624 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000990523065 808825019 /nfs/dbraw/zinc/82/50/19/808825019.db2.gz KQSLFBXQWYQINB-UKRRQHHQSA-N 2 0 338.452 -0.624 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC001002458607 809718171 /nfs/dbraw/zinc/71/81/71/809718171.db2.gz DRDGTYALPMQTIE-CVEARBPZSA-N 2 0 335.452 -0.081 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[NH+](CCN3CCNC3=O)C2)C1 ZINC001009204083 810234574 /nfs/dbraw/zinc/23/45/74/810234574.db2.gz UCWMYKYYJPJSRS-HUUCEWRRSA-N 2 0 337.468 -0.066 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214343920 810240491 /nfs/dbraw/zinc/24/04/91/810240491.db2.gz JTFKTWYFPUKWOU-KFWWJZLASA-N 2 0 340.468 -0.330 20 0 EBADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001215474356 810330898 /nfs/dbraw/zinc/33/08/98/810330898.db2.gz NRESRIPIYSAMBM-NQBHXWOUSA-N 2 0 327.429 -0.796 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001215599057 810337249 /nfs/dbraw/zinc/33/72/49/810337249.db2.gz PDHNSFUYBOUNPH-RBSFLKMASA-N 2 0 340.468 -0.330 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001216510980 810375231 /nfs/dbraw/zinc/37/52/31/810375231.db2.gz HLVSQPJQINAUFH-ZIAGYGMSSA-N 2 0 348.513 -0.344 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COCCOC)C1 ZINC001216511632 810375423 /nfs/dbraw/zinc/37/54/23/810375423.db2.gz XZRLVGXSTQFCPG-BZUAXINKSA-N 2 0 345.484 -0.211 20 0 EBADRP COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216758098 810386274 /nfs/dbraw/zinc/38/62/74/810386274.db2.gz XFGKVUDOWXEPBK-BZUAXINKSA-N 2 0 343.468 -0.457 20 0 EBADRP COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216851863 810396357 /nfs/dbraw/zinc/39/63/57/810396357.db2.gz JRHFZBWSBNQQPV-BZUAXINKSA-N 2 0 345.484 -0.213 20 0 EBADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1C[NH2+]CC[C@@H]1F ZINC001217962314 810469746 /nfs/dbraw/zinc/46/97/46/810469746.db2.gz ZGHUTCTXHDCYEB-IUCAKERBSA-N 2 0 342.371 -0.161 20 0 EBADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1CC[NH2+]C[C@H]1F ZINC001218064984 810474836 /nfs/dbraw/zinc/47/48/36/810474836.db2.gz CEIRBTSFVVKESQ-BDAKNGLRSA-N 2 0 342.371 -0.161 20 0 EBADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1CCC12C[NH2+]C2 ZINC001218239547 810484620 /nfs/dbraw/zinc/48/46/20/810484620.db2.gz HNLFBNPWEIUAGM-VIFPVBQESA-N 2 0 336.392 -0.109 20 0 EBADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3COC4(C[NH2+]C4)CN3)nc2)CC1 ZINC001218515651 810496963 /nfs/dbraw/zinc/49/69/63/810496963.db2.gz JVQPJGTWSQSXAC-AWEZNQCLSA-N 2 0 346.435 -0.898 20 0 EBADRP COc1ccc2nc(NC(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)nnc2c1 ZINC001218513208 810497178 /nfs/dbraw/zinc/49/71/78/810497178.db2.gz ZODZSSJUASXBGW-GFCCVEGCSA-N 2 0 345.407 -0.278 20 0 EBADRP O=C(Nc1cncc(N2CCOCC2)n1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218575443 810505280 /nfs/dbraw/zinc/50/52/80/810505280.db2.gz HJIJVEQZAQYIJJ-MLGOLLRUSA-N 2 0 332.408 -0.549 20 0 EBADRP CC[C@@H](C(=O)N1CCO[C@@H]2CN(CCOCCOC)C[C@@H]21)[NH+](C)C ZINC001218646528 810514713 /nfs/dbraw/zinc/51/47/13/810514713.db2.gz TYBCRYFTYIXBOV-HRCADAONSA-N 2 0 343.468 -0.099 20 0 EBADRP O=C(Nc1ncnc2c1ncn2[C@@H]1CCCO1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218644955 810515214 /nfs/dbraw/zinc/51/52/14/810515214.db2.gz ZCPRXKZJFNFSNI-MNOVXSKESA-N 2 0 343.391 -0.117 20 0 EBADRP [NH3+]C1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)cn2)CC1 ZINC001218725160 810523942 /nfs/dbraw/zinc/52/39/42/810523942.db2.gz RSVKQHXXJAYKCA-TUKIKUTGSA-N 2 0 330.436 -0.103 20 0 EBADRP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001218726592 810524244 /nfs/dbraw/zinc/52/42/44/810524244.db2.gz MTJXEFCTGKSIRR-CHWSQXEVSA-N 2 0 333.392 -0.909 20 0 EBADRP CNS(=O)(=O)CCc1ccc(NC(=O)[C@@H]([NH3+])CCC[NH3+])cc1 ZINC001218891375 810541838 /nfs/dbraw/zinc/54/18/38/810541838.db2.gz OGORPGXHLICKMI-ZDUSSCGKSA-N 2 0 328.438 -0.217 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](C[C@H](O)COC)C[C@@H]21 ZINC001218918574 810544944 /nfs/dbraw/zinc/54/49/44/810544944.db2.gz GGLOKTGMXHAVGR-SOUVJXGZSA-N 2 0 329.441 -0.753 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1ccc2c(c1)CC[NH2+]CC2 ZINC001218937343 810547420 /nfs/dbraw/zinc/54/74/20/810547420.db2.gz SMYVZNJDXSAGNP-UHFFFAOYSA-N 2 0 340.449 -0.466 20 0 EBADRP C[C@H](O)CCC[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970002 810550540 /nfs/dbraw/zinc/55/05/40/810550540.db2.gz AOLLWACNMNULFW-HRCADAONSA-N 2 0 343.468 -0.363 20 0 EBADRP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@H+](CCN3CCNC3=O)C2)CC1 ZINC001015796987 810583547 /nfs/dbraw/zinc/58/35/47/810583547.db2.gz VBGYQBILUADORP-OAHLLOKOSA-N 2 0 337.468 -0.066 20 0 EBADRP O=C(Nc1cccc(N2CC[NH2+]CC2)c1)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001219115403 810587931 /nfs/dbraw/zinc/58/79/31/810587931.db2.gz APLYIHGXWVGJAG-OAHLLOKOSA-N 2 0 329.404 -0.487 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@@H]([NH3+])CCC[NH3+])NC(=O)[C@]21CC[NH2+]C1 ZINC001219497416 810721728 /nfs/dbraw/zinc/72/17/28/810721728.db2.gz CBIXAWFJYFBPAO-GTNSWQLSSA-N 3 0 347.419 -0.117 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@H]1COC[C@H]1[NH3+])NC(=O)[C@@]21CC[NH2+]C1 ZINC001219504041 810725013 /nfs/dbraw/zinc/72/50/13/810725013.db2.gz POEHNOIAKYNFJM-VKHBWIJISA-N 2 0 346.387 -0.209 20 0 EBADRP C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C[NH2+]1 ZINC001219586849 810760549 /nfs/dbraw/zinc/76/05/49/810760549.db2.gz GUWSFMDLRVGCOW-AJNGGQMLSA-N 3 0 339.484 -0.310 20 0 EBADRP O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219610054 810769836 /nfs/dbraw/zinc/76/98/36/810769836.db2.gz KCKZOABKYLCKKN-ZANVPECISA-N 2 0 334.342 -0.487 20 0 EBADRP O=C(C[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617683 810773140 /nfs/dbraw/zinc/77/31/40/810773140.db2.gz OHEWGWXJZWRYCD-OCVGTWLNSA-N 2 0 329.416 -0.286 20 0 EBADRP O=C(NCCC1(O)C[NH2+]C1)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001219696523 810799378 /nfs/dbraw/zinc/79/93/78/810799378.db2.gz JTCANALTZMCXPF-RDTXWAMCSA-N 2 0 330.432 -0.447 20 0 EBADRP O=C(NCCC1(O)C[NH2+]C1)c1ccc2ccc(N3CC[NH2+]CC3)n2c1 ZINC001219696479 810799439 /nfs/dbraw/zinc/79/94/39/810799439.db2.gz JHNCRZLHCIGXNS-UHFFFAOYSA-N 2 0 343.431 -0.197 20 0 EBADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219696913 810800130 /nfs/dbraw/zinc/80/01/30/810800130.db2.gz NJAWLWSYWDJUHP-VIFPVBQESA-N 2 0 340.346 -0.997 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219705892 810802604 /nfs/dbraw/zinc/80/26/04/810802604.db2.gz SHMMPCDJCYUUHS-UHFFFAOYSA-N 2 0 340.449 -0.831 20 0 EBADRP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219736942 810816860 /nfs/dbraw/zinc/81/68/60/810816860.db2.gz LFRWEDLJGJCHGM-VXGBXAGGSA-N 2 0 327.425 -0.070 20 0 EBADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001219737153 810817038 /nfs/dbraw/zinc/81/70/38/810817038.db2.gz PTDZHBYYTYTPPK-IHRRRGAJSA-N 2 0 336.436 -0.776 20 0 EBADRP [NH3+][C@H]1CCCCN(CC(=O)NC[C@H]2CCC3(CC[NH2+]CC3)O2)C1=O ZINC001219743884 810819795 /nfs/dbraw/zinc/81/97/95/810819795.db2.gz ONEKNTCCMYZNEB-KGLIPLIRSA-N 2 0 338.452 -0.256 20 0 EBADRP NC(=O)NCCC[C@H]([NH3+])C(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001219788953 810841638 /nfs/dbraw/zinc/84/16/38/810841638.db2.gz TZDVNEHQJJFPFJ-OCCSQVGLSA-N 2 0 336.440 -0.510 20 0 EBADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219796104 810845090 /nfs/dbraw/zinc/84/50/90/810845090.db2.gz MSCQKVLPLLUYHD-JKSUJKDBSA-N 3 0 338.452 -0.530 20 0 EBADRP [NH3+]C1(C(=O)NCc2noc3c2C[NH2+]CC3)CCC2(CC1)OCCO2 ZINC001219811002 810856050 /nfs/dbraw/zinc/85/60/50/810856050.db2.gz INGYWZLBQDIIEI-UHFFFAOYSA-N 2 0 336.392 -0.049 20 0 EBADRP [NH3+][C@H](C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)C1CCC2(CC1)OCCO2 ZINC001219831336 810865615 /nfs/dbraw/zinc/86/56/15/810865615.db2.gz GZLNOQSFSLXJKO-KBXIAJHMSA-N 2 0 339.436 -0.260 20 0 EBADRP [NH3+][C@H](CC(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)Cc1ccncc1 ZINC001219833718 810868550 /nfs/dbraw/zinc/86/85/50/810868550.db2.gz HSYUGQCWILDIAJ-SOLBZPMBSA-N 2 0 348.447 -0.147 20 0 EBADRP O=C(C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833845 810868934 /nfs/dbraw/zinc/86/89/34/810868934.db2.gz KWQAHBNXVCCHFC-DEQQHWRFSA-N 2 0 339.436 -0.735 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219836694 810871019 /nfs/dbraw/zinc/87/10/19/810871019.db2.gz CLLGYRWTSOFKAC-WWGRRREGSA-N 2 0 329.441 -0.360 20 0 EBADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1noc2c1C[NH2+]CC2 ZINC001219844560 810874614 /nfs/dbraw/zinc/87/46/14/810874614.db2.gz NYHVRVXLHAEKGL-MEDUHNTESA-N 2 0 336.392 -0.555 20 0 EBADRP CCn1nnc2c1[C@H](C(=O)NC[C@H]1OC[C@@H]3CC[NH2+]C[C@@H]31)CNC2 ZINC001219849731 810877991 /nfs/dbraw/zinc/87/79/91/810877991.db2.gz HEPYPOVNMDWSQP-CIQGVGRVSA-N 2 0 334.424 -0.775 20 0 EBADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001219847422 810878473 /nfs/dbraw/zinc/87/84/73/810878473.db2.gz GOEXETHEWGJUNJ-YYFQZIEXSA-N 2 0 336.436 -0.635 20 0 EBADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001219852546 810879045 /nfs/dbraw/zinc/87/90/45/810879045.db2.gz UMSIVAVVQSLDNB-KCQAQPDRSA-N 2 0 346.435 -0.760 20 0 EBADRP Cn1cc(Br)cc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c1=O ZINC001219881394 810892579 /nfs/dbraw/zinc/89/25/79/810892579.db2.gz WVVQXWQCJZCTBD-VIFPVBQESA-N 2 0 341.209 -0.105 20 0 EBADRP [NH3+][C@@H](C(=O)N[C@]12C[C@H]1CN(C(=O)c1ccco1)C2)C1CC[NH2+]CC1 ZINC001219901452 810901067 /nfs/dbraw/zinc/90/10/67/810901067.db2.gz JYWBVYWTSGSFQK-QEORTHHSSA-N 2 0 332.404 -0.063 20 0 EBADRP COc1ccc(CCNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cc1O ZINC001219910206 810905263 /nfs/dbraw/zinc/90/52/63/810905263.db2.gz SWGIRWLXPSPMEJ-AWEZNQCLSA-N 2 0 336.436 -0.190 20 0 EBADRP N=c1cc(C[NH3+])ncn1C(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+] ZINC001220020483 810950097 /nfs/dbraw/zinc/95/00/97/810950097.db2.gz KMYXLJCBGRVXSI-ZDUSSCGKSA-N 2 0 328.376 -0.852 20 0 EBADRP CC(C)(C)OC(=O)C1(NC(=O)[C@H]2C[NH2+]C[C@@H]2N)CCC([NH3+])CC1 ZINC001220039534 810957567 /nfs/dbraw/zinc/95/75/67/810957567.db2.gz ISRFCUNIXAZWHH-SLMGRZLQSA-N 2 0 326.441 -0.369 20 0 EBADRP CC(C)(C)OC(=O)C1(NC(=O)[C@@H]2C[NH2+]C[C@H]2O)CCC([NH3+])CC1 ZINC001220039933 810957867 /nfs/dbraw/zinc/95/78/67/810957867.db2.gz YWEWEVRQSAIANW-YZUGKSJVSA-N 2 0 327.425 -0.335 20 0 EBADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001220062419 810966474 /nfs/dbraw/zinc/96/64/74/810966474.db2.gz XMUVSRJPRMVVFW-ZDUSSCGKSA-N 2 0 334.486 -0.413 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2O)CC1 ZINC001220227414 811023833 /nfs/dbraw/zinc/02/38/33/811023833.db2.gz SDFFVERZHRUQBY-CABCVRRESA-N 2 0 325.453 -0.084 20 0 EBADRP COC(=O)[C@@]1(NC(=O)[C@H]([NH3+])CCC[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC001220226566 811025126 /nfs/dbraw/zinc/02/51/26/811025126.db2.gz VIZYMGNAUDJXNA-CRAIPNDOSA-N 3 0 348.447 -0.014 20 0 EBADRP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234025 811029179 /nfs/dbraw/zinc/02/91/79/811029179.db2.gz QWKBLNWJVHRIHY-OAGGEKHMSA-N 2 0 345.484 -0.477 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1O ZINC001220274815 811043649 /nfs/dbraw/zinc/04/36/49/811043649.db2.gz FLGRFDCEIGPCCB-ZACQAIPSSA-N 2 0 335.448 -0.297 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220315234 811052712 /nfs/dbraw/zinc/05/27/12/811052712.db2.gz AWJNVSWJABVUSV-LOUJCGABSA-N 2 0 340.468 -0.108 20 0 EBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220320406 811056167 /nfs/dbraw/zinc/05/61/67/811056167.db2.gz NHFJVEOUUNSNJN-CQJJVWNLSA-N 2 0 326.441 -0.497 20 0 EBADRP CCOC(=O)C1(NC(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)CC[NH+](C)CC1 ZINC001220345403 811063489 /nfs/dbraw/zinc/06/34/89/811063489.db2.gz HXGBPEBGPDGHQV-MELADBBJSA-N 2 0 339.436 -0.103 20 0 EBADRP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])Cc2cncn2C)CC[NH+](C)CC1 ZINC001220345596 811064545 /nfs/dbraw/zinc/06/45/45/811064545.db2.gz JSDAOZZIAAVHSC-ZDUSSCGKSA-N 2 0 337.424 -0.566 20 0 EBADRP COCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@@H](O)C1 ZINC001220372618 811076663 /nfs/dbraw/zinc/07/66/63/811076663.db2.gz GZHZXXDRKZIVQY-SJORKVTESA-N 2 0 335.448 -0.031 20 0 EBADRP C[C@H](COCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)[NH+]1CCCC1 ZINC001220387088 811085229 /nfs/dbraw/zinc/08/52/29/811085229.db2.gz BFNHOUZXQBTIGC-KFWWJZLASA-N 2 0 329.441 -0.969 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001220429166 811104948 /nfs/dbraw/zinc/10/49/48/811104948.db2.gz MHDGTMNJNPYNBW-CJBNDPTMSA-N 2 0 330.388 -0.800 20 0 EBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)O1 ZINC001220481899 811123649 /nfs/dbraw/zinc/12/36/49/811123649.db2.gz VMXGMFRFEPWRLZ-IXYNUQLISA-N 3 0 340.468 -0.298 20 0 EBADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036267549 811131552 /nfs/dbraw/zinc/13/15/52/811131552.db2.gz QDDQLQDLSDDTHV-STQMWFEESA-N 2 0 348.451 -0.469 20 0 EBADRP C[NH+]1C(C)(C)CC(NC(=O)CN(CC[NH3+])S(C)(=O)=O)CC1(C)C ZINC001220510564 811131811 /nfs/dbraw/zinc/13/18/11/811131811.db2.gz HVVNVGORXOPCQJ-UHFFFAOYSA-N 2 0 348.513 -0.026 20 0 EBADRP [NH3+]CCOCCOCCNC(=O)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001220519706 811135718 /nfs/dbraw/zinc/13/57/18/811135718.db2.gz YNQROYDZHRLWMP-HOCLYGCPSA-N 2 0 329.441 -0.357 20 0 EBADRP COc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCOCCOCC[NH3+] ZINC001220519639 811136027 /nfs/dbraw/zinc/13/60/27/811136027.db2.gz WDDGEOJQYLYDFZ-INIZCTEOSA-N 2 0 337.420 -0.010 20 0 EBADRP CCOC(=O)C1=C(NC(=O)CNC(=O)[C@@H]([NH3+])[C@@H](C)CC)CC[NH2+]C1 ZINC001220522619 811138865 /nfs/dbraw/zinc/13/88/65/811138865.db2.gz BKXTZXIINJWQFZ-HZMBPMFUSA-N 2 0 340.424 -0.597 20 0 EBADRP CC(C)([NH3+])CN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)S(=O)(=O)c1ccccc1 ZINC001220535496 811143301 /nfs/dbraw/zinc/14/33/01/811143301.db2.gz DEPRHQDTDMWSRQ-STQMWFEESA-N 2 0 341.433 -0.336 20 0 EBADRP CCOC(=O)[C@H](Cc1ccccn1)NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220567608 811157593 /nfs/dbraw/zinc/15/75/93/811157593.db2.gz HFNFPKCQYDPUNR-LSDHHAIUSA-N 2 0 334.420 -0.001 20 0 EBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001220583684 811165397 /nfs/dbraw/zinc/16/53/97/811165397.db2.gz ULFQJHDCRWQPIB-ZIAGYGMSSA-N 2 0 326.441 -0.589 20 0 EBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001220583057 811165946 /nfs/dbraw/zinc/16/59/46/811165946.db2.gz CCUFOYOUXHGECZ-BBRMVZONSA-N 2 0 327.425 -0.114 20 0 EBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001220583058 811166373 /nfs/dbraw/zinc/16/63/73/811166373.db2.gz CCUFOYOUXHGECZ-CJNGLKHVSA-N 2 0 327.425 -0.114 20 0 EBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220649148 811187097 /nfs/dbraw/zinc/18/70/97/811187097.db2.gz SUEJLWCEAQKOPT-CQSZACIVSA-N 2 0 348.451 -0.512 20 0 EBADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001220651167 811188350 /nfs/dbraw/zinc/18/83/50/811188350.db2.gz DZJGVPOWBOUDPY-MRXNPFEDSA-N 2 0 343.431 -0.810 20 0 EBADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001220679231 811198412 /nfs/dbraw/zinc/19/84/12/811198412.db2.gz WLRYDHDKSPADNY-ZOBORPQBSA-N 2 0 345.451 -0.287 20 0 EBADRP CC(C)(CC(=O)N1CCCC1)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220687461 811203571 /nfs/dbraw/zinc/20/35/71/811203571.db2.gz NKWBVWLQDGYDRU-AWEZNQCLSA-N 2 0 339.484 -0.356 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001220746236 811226112 /nfs/dbraw/zinc/22/61/12/811226112.db2.gz SLTNVJWIOZGRLC-KRWDZBQOSA-N 3 0 346.479 -0.083 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CC(N)=O)C2)n1 ZINC001036719730 811229883 /nfs/dbraw/zinc/22/98/83/811229883.db2.gz IRJWFPYWTFANNZ-ZFWWWQNUSA-N 2 0 348.451 -0.534 20 0 EBADRP CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220766062 811233117 /nfs/dbraw/zinc/23/31/17/811233117.db2.gz KZYGKTPPBRSVMR-XDQVBPFNSA-N 2 0 340.468 -0.291 20 0 EBADRP COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220770194 811236256 /nfs/dbraw/zinc/23/62/56/811236256.db2.gz VOPMRFLGRYNHSI-KBPBESRZSA-N 2 0 349.435 -0.505 20 0 EBADRP [NH3+][C@@]12CC[C@@](NC(=O)[C@H]3Cn4nnnc4C34CC[NH2+]CC4)(C1)CCC2 ZINC001220775134 811238155 /nfs/dbraw/zinc/23/81/55/811238155.db2.gz KDCSTMLAXJRACV-UHOFOFEASA-N 2 0 345.451 -0.156 20 0 EBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220789054 811242199 /nfs/dbraw/zinc/24/21/99/811242199.db2.gz IYQVEOCWTSRZMV-OFQRWUPVSA-N 2 0 331.420 -0.202 20 0 EBADRP O=C(NC[C@H]1CC[NH2+][C@@H]1c1cccnc1)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001220791419 811243608 /nfs/dbraw/zinc/24/36/08/811243608.db2.gz XVUJJUDVEMUWJT-YUELXQCFSA-N 2 0 329.404 -0.674 20 0 EBADRP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])CCOCc2ccccc2)C[NH2+]C1 ZINC001220851324 811267202 /nfs/dbraw/zinc/26/72/02/811267202.db2.gz QQMVSIIPLPGTOH-AWEZNQCLSA-N 2 0 335.404 -0.058 20 0 EBADRP [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@H]1C[NH2+]CCN1 ZINC001220871116 811276444 /nfs/dbraw/zinc/27/64/44/811276444.db2.gz TXKVAQWNJIRJLI-SNVBAGLBSA-N 2 0 328.214 -0.688 20 0 EBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)n1cc(Br)ccc1=NCC[NH3+] ZINC001220870726 811276481 /nfs/dbraw/zinc/27/64/81/811276481.db2.gz ONVWKZQJNIIAMZ-UWVGGRQHSA-N 2 0 328.214 -0.703 20 0 EBADRP [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220870980 811276533 /nfs/dbraw/zinc/27/65/33/811276533.db2.gz RCISHMXJCLPVDY-NXEZZACHSA-N 2 0 329.198 -0.527 20 0 EBADRP O=C(CNC(=O)[C@H]1C[NH2+]CCN1)N1CC[NH+](C2CCCCC2)CC1 ZINC001220900147 811286503 /nfs/dbraw/zinc/28/65/03/811286503.db2.gz BRBARXINDABXRI-OAHLLOKOSA-N 2 0 337.468 -0.859 20 0 EBADRP [NH3+]CCN(CCNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)C[NH2+]1)N(O)N=O ZINC001220900333 811287627 /nfs/dbraw/zinc/28/76/27/811287627.db2.gz HIQKIPKQFBDWTE-BDAKNGLRSA-N 2 0 342.322 -0.419 20 0 EBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC001220923833 811296087 /nfs/dbraw/zinc/29/60/87/811296087.db2.gz LKBBCPFXPGSAQP-AWEZNQCLSA-N 2 0 348.513 -0.167 20 0 EBADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937705 811301355 /nfs/dbraw/zinc/30/13/55/811301355.db2.gz YAZOGDVFMZVRBG-CABCVRRESA-N 2 0 334.420 -0.833 20 0 EBADRP [NH3+][C@H]1CC[C@H](N(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c2ccncn2)CC1 ZINC001220941218 811304527 /nfs/dbraw/zinc/30/45/27/811304527.db2.gz NGXJAQQGSDIWBX-MGPQQGTHSA-N 3 0 330.436 -0.112 20 0 EBADRP COCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220981359 811325764 /nfs/dbraw/zinc/32/57/64/811325764.db2.gz SMNYLDUTHRGJDN-KFWWJZLASA-N 2 0 329.441 -0.848 20 0 EBADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@]23C[NH2+]C[C@H]2CCN3)CC1 ZINC001221006757 811340656 /nfs/dbraw/zinc/34/06/56/811340656.db2.gz MFPULLYMQYHSPG-VMUDFCTBSA-N 2 0 337.468 -0.957 20 0 EBADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2CCN3)CC1 ZINC001221006760 811341782 /nfs/dbraw/zinc/34/17/82/811341782.db2.gz MFPULLYMQYHSPG-WSMBLCCSSA-N 2 0 337.468 -0.957 20 0 EBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001221056074 811356740 /nfs/dbraw/zinc/35/67/40/811356740.db2.gz DCKBTMSJYBHHRR-RMVXASLFSA-N 2 0 331.482 -0.158 20 0 EBADRP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081906 811368419 /nfs/dbraw/zinc/36/84/19/811368419.db2.gz YJYTWRIKXUGMIL-ZNMIVQPWSA-N 2 0 329.441 -0.969 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001037118407 811369596 /nfs/dbraw/zinc/36/95/96/811369596.db2.gz ZSLZNEZPPXCQDN-OLZOCXBDSA-N 2 0 333.440 -0.320 20 0 EBADRP O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001221121408 811385596 /nfs/dbraw/zinc/38/55/96/811385596.db2.gz DPXBSTDKOFWOIA-CQSZACIVSA-N 2 0 331.420 -0.893 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001221188305 811411095 /nfs/dbraw/zinc/41/10/95/811411095.db2.gz RTYHKBVKNRHGAG-IHRRRGAJSA-N 2 0 326.441 -0.543 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H](CCc1cn(C)cn1)C(=O)OC ZINC001221256831 811427892 /nfs/dbraw/zinc/42/78/92/811427892.db2.gz OABSYZAUEIEDMW-KBPBESRZSA-N 2 0 339.440 -0.273 20 0 EBADRP CCOC(=O)/C=C(/NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)OCC ZINC001221262669 811429362 /nfs/dbraw/zinc/42/93/62/811429362.db2.gz MIIBINJQCUSTNO-FNWMBBJUSA-N 2 0 328.413 -0.706 20 0 EBADRP N=C(NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)c1cnc2ccc(F)cn21 ZINC001221323300 811441786 /nfs/dbraw/zinc/44/17/86/811441786.db2.gz ZHFKMFVRTOCPGY-GFCCVEGCSA-N 2 0 347.398 -0.335 20 0 EBADRP COC(=O)c1ccc([C@H](CO)NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)cc1 ZINC001221366393 811447393 /nfs/dbraw/zinc/44/73/93/811447393.db2.gz OJQFZYLWJUPNTA-LSDHHAIUSA-N 2 0 335.404 -0.050 20 0 EBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001221388567 811449745 /nfs/dbraw/zinc/44/97/45/811449745.db2.gz DLPQWRJGXYSZOE-STQMWFEESA-N 3 0 342.488 -0.072 20 0 EBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001221397849 811450302 /nfs/dbraw/zinc/45/03/02/811450302.db2.gz OHJMUYXEBRMEJN-GJZGRUSLSA-N 2 0 336.461 -0.029 20 0 EBADRP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC1 ZINC001221397438 811451250 /nfs/dbraw/zinc/45/12/50/811451250.db2.gz OHQWPFXLFCJUQI-FQUUOJAGSA-N 2 0 328.457 -0.420 20 0 EBADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001079489555 811559493 /nfs/dbraw/zinc/55/94/93/811559493.db2.gz FJMVYMZYGCDWJO-MCIONIFRSA-N 2 0 336.436 -0.334 20 0 EBADRP C[C@@H]1CNCC(F)(F)[C@H]1C[N@@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001222520836 811637156 /nfs/dbraw/zinc/63/71/56/811637156.db2.gz LGMIOKXKEPTKGC-XUJVJEKNSA-N 2 0 328.407 -0.111 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC001222612283 811647537 /nfs/dbraw/zinc/64/75/37/811647537.db2.gz AWYFTPUZFPNOIV-CQSZACIVSA-N 2 0 346.497 -0.542 20 0 EBADRP CC[C@H](C(=O)NCC1CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1)[NH+](C)C ZINC001223596529 811716076 /nfs/dbraw/zinc/71/60/76/811716076.db2.gz COQZHEINNAIWPI-DGCLKSJQSA-N 2 0 341.456 -0.262 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2CC[N@H+](CCOCCO)[C@H]2C1 ZINC001223916312 811735857 /nfs/dbraw/zinc/73/58/57/811735857.db2.gz FYZPLDVEYXUWOJ-CVEARBPZSA-N 2 0 343.468 -0.504 20 0 EBADRP C[NH+](C)CCC(=O)NCC1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001224347207 811759309 /nfs/dbraw/zinc/75/93/09/811759309.db2.gz XPLFIWMBUWIOIF-UHFFFAOYSA-N 2 0 339.440 -0.682 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001224546621 811764517 /nfs/dbraw/zinc/76/45/17/811764517.db2.gz OBXXZGFORRGMQV-DGCLKSJQSA-N 2 0 339.440 -0.793 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001225346101 811804124 /nfs/dbraw/zinc/80/41/24/811804124.db2.gz IZOSGIKUGNHIGV-MGPQQGTHSA-N 2 0 346.497 -0.353 20 0 EBADRP CS(=O)(=O)NCC[NH+]1CCC(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001225448491 811810683 /nfs/dbraw/zinc/81/06/83/811810683.db2.gz MGDLHMZWPULLPE-UHFFFAOYSA-N 2 0 346.497 -0.540 20 0 EBADRP CCN(C(=O)COCC[NH+](C)C)C1CN(C(=O)C[NH+]2CCCC2)C1 ZINC001080139218 811913244 /nfs/dbraw/zinc/91/32/44/811913244.db2.gz ZGMQVITUHUENPY-UHFFFAOYSA-N 2 0 340.468 -0.280 20 0 EBADRP CC[C@@H](C(=O)N(CC)C1CN(C(=O)COCC[NH+](C)C)C1)[NH+](C)C ZINC001080146789 811918369 /nfs/dbraw/zinc/91/83/69/811918369.db2.gz UEBIBZMPOQXITL-HNNXBMFYSA-N 2 0 342.484 -0.036 20 0 EBADRP CC[C@@H](C(=O)NC1CC[NH+](C[C@H](O)COCCOC)CC1)[NH+](C)C ZINC001229253396 812022736 /nfs/dbraw/zinc/02/27/36/812022736.db2.gz FPDUZHOMPSQFLW-HOTGVXAUSA-N 2 0 345.484 -0.069 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@H]2C)C1 ZINC001080449028 812031980 /nfs/dbraw/zinc/03/19/80/812031980.db2.gz DYERCBVWYGALOW-RBSFLKMASA-N 2 0 337.468 -0.210 20 0 EBADRP C[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001080449029 812032155 /nfs/dbraw/zinc/03/21/55/812032155.db2.gz DYERCBVWYGALOW-RRFJBIMHSA-N 2 0 337.468 -0.210 20 0 EBADRP COCCOC[C@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001230262785 812093139 /nfs/dbraw/zinc/09/31/39/812093139.db2.gz SBSJXCKDGJRSHP-GDBMZVCRSA-N 2 0 343.468 -0.457 20 0 EBADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080783662 812229843 /nfs/dbraw/zinc/22/98/43/812229843.db2.gz ZPZBJRWWNMDYOZ-RBSFLKMASA-N 2 0 337.468 -0.210 20 0 EBADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080940811 812376835 /nfs/dbraw/zinc/37/68/35/812376835.db2.gz JNNQGMAUSNBNDV-ZIAGYGMSSA-N 2 0 336.436 -0.332 20 0 EBADRP COCC(=O)NCc1cc(=O)n2c(n1)C[N@@H+](CCCC[NH3+])CCC2 ZINC001235488337 812492421 /nfs/dbraw/zinc/49/24/21/812492421.db2.gz LVHNVRZFCGMMCD-UHFFFAOYSA-N 2 0 337.424 -0.550 20 0 EBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN(Cc2cccc(C(=O)NCC[NH3+])c2)C1 ZINC001235770767 812513623 /nfs/dbraw/zinc/51/36/23/812513623.db2.gz FYYBVMNXXIOQEN-CABCVRRESA-N 2 0 334.420 -0.303 20 0 EBADRP Clc1ccc2ncc(CN3CC[NH2+]CCNCC[NH2+]CC3)n2n1 ZINC001235868801 812513768 /nfs/dbraw/zinc/51/37/68/812513768.db2.gz AVKPWAKTNZNUQN-UHFFFAOYSA-N 2 0 337.859 -0.033 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccccc1-n1cncn1 ZINC001236308160 812515464 /nfs/dbraw/zinc/51/54/64/812515464.db2.gz HDZSLTHXWKPWSH-UHFFFAOYSA-N 2 0 345.451 -0.117 20 0 EBADRP [NH3+]CCNC(=O)c1cccc(C[N@@H+]2CCC[C@@H](N3CC([NH3+])C3)C2)c1 ZINC001236079357 812516106 /nfs/dbraw/zinc/51/61/06/812516106.db2.gz ROAMACNRHKQDPN-QGZVFWFLSA-N 3 0 331.464 -0.018 20 0 EBADRP CCOC(=O)[C@H]1[NH2+]C[C@@H]2[C@H](NS(=O)(=O)C3CC[NH2+]CC3)CC[C@@H]21 ZINC001238323416 812524967 /nfs/dbraw/zinc/52/49/67/812524967.db2.gz DOZRDLAEFVPYOP-FQUUOJAGSA-N 2 0 345.465 -0.413 20 0 EBADRP Cc1noc(C)c1S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239130752 812546157 /nfs/dbraw/zinc/54/61/57/812546157.db2.gz FGTPBYUSWULRAI-UHFFFAOYSA-N 2 0 347.441 -0.904 20 0 EBADRP Cc1ccc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])s1 ZINC001239130382 812546321 /nfs/dbraw/zinc/54/63/21/812546321.db2.gz BAVBJJMFESJHNP-UHFFFAOYSA-N 2 0 348.494 -0.139 20 0 EBADRP S=C(NCCN1CCOCC1)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001239363840 812552353 /nfs/dbraw/zinc/55/23/53/812552353.db2.gz QFPHLQMDHHEKMC-AWEZNQCLSA-N 2 0 341.525 -0.343 20 0 EBADRP CCOC(=O)[C@]12CN(C(=S)NCC[NH+](C)C)C[C@H]1C[NH2+]CC2 ZINC001239444195 812553676 /nfs/dbraw/zinc/55/36/76/812553676.db2.gz WTBYVXYCTZRYNK-IUODEOHRSA-N 2 0 328.482 -0.103 20 0 EBADRP O[C@@H](CNc1ccc(N2CC[NH2+]CC2)cn1)CC1(O)CC[NH2+]CC1 ZINC001245954378 812556083 /nfs/dbraw/zinc/55/60/83/812556083.db2.gz BKMXVWXCQSYMKX-OAHLLOKOSA-N 2 0 335.452 -0.231 20 0 EBADRP O[C@H](CNC[C@]1(C(F)(F)F)CC[NH2+]C1)CC1(O)CC[NH2+]CC1 ZINC001245981170 812557316 /nfs/dbraw/zinc/55/73/16/812557316.db2.gz GYTNQMPEONQIRP-RYUDHWBXSA-N 2 0 325.375 -0.017 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001245978654 812557505 /nfs/dbraw/zinc/55/75/05/812557505.db2.gz OFVWQIZSCPHOFX-FCGDIQPGSA-N 3 0 349.475 -0.098 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001245983766 812557744 /nfs/dbraw/zinc/55/77/44/812557744.db2.gz MOWFHZMPHKFMJT-FQLMCAECSA-N 2 0 340.374 -0.637 20 0 EBADRP O[C@H](C[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)CC1(O)CC[NH2+]CC1 ZINC001245991014 812558354 /nfs/dbraw/zinc/55/83/54/812558354.db2.gz AXVIEWOPQNORMA-GJZGRUSLSA-N 3 0 327.469 -0.400 20 0 EBADRP [NH3+]CCCC[C@H]([NH2+]C[C@H](O)CN1CCOCC1)C(=O)N1CCCC1 ZINC001246022371 812559997 /nfs/dbraw/zinc/55/99/97/812559997.db2.gz XSJMWRYBJRUZET-HOTGVXAUSA-N 2 0 342.484 -0.611 20 0 EBADRP COC(=O)[C@H](N)C1CC[NH+](C[C@H](O)CC2(O)CC[NH2+]CC2)CC1 ZINC001246047241 812561022 /nfs/dbraw/zinc/56/10/22/812561022.db2.gz CBNMNDXCAVGMJH-ZIAGYGMSSA-N 2 0 329.441 -0.936 20 0 EBADRP CCOC(=O)C1(N)CC[NH+](C[C@H](O)CC2(O)CC[NH2+]CC2)CC1 ZINC001246047957 812561296 /nfs/dbraw/zinc/56/12/96/812561296.db2.gz GAKHDNFICWTNLJ-CYBMUJFWSA-N 2 0 329.441 -0.792 20 0 EBADRP O[C@H](COCc1ccco1)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246055187 812562237 /nfs/dbraw/zinc/56/22/37/812562237.db2.gz LYUGACWDMLDGCW-HNNXBMFYSA-N 2 0 326.441 -0.759 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@H](O)COc1ccccc1 ZINC001246055655 812562438 /nfs/dbraw/zinc/56/24/38/812562438.db2.gz SMNIYVLOMGQNRW-HNNXBMFYSA-N 2 0 338.452 -0.458 20 0 EBADRP [NH3+]C1CCN(C2CC[NH+](C[C@H](O)CC3(O)CC[NH2+]CC3)CC2)CC1 ZINC001246070865 812563110 /nfs/dbraw/zinc/56/31/10/812563110.db2.gz PVHFUHCQODBJTC-QGZVFWFLSA-N 3 0 340.512 -0.261 20 0 EBADRP O=C([C@@H]1C[C@H]([NH2+]C[C@H]2CC3(C[NH2+]C3)CO2)CN1)N1CCSC1 ZINC001246125497 812564295 /nfs/dbraw/zinc/56/42/95/812564295.db2.gz IGALQCHUDSOBFH-XQQFMLRXSA-N 2 0 326.466 -0.782 20 0 EBADRP O=C([C@@H]1C[C@@H]([NH2+]CCCN2CC[NH2+]CC2)CN1)N1CCSC1 ZINC001246111585 812564581 /nfs/dbraw/zinc/56/45/81/812564581.db2.gz CJGGITMWOUZYPN-KGLIPLIRSA-N 2 0 327.498 -0.865 20 0 EBADRP O=C([C@@H]1C[C@H](NC2C[C@@H]3COC[C@H](C2)[NH2+]3)C[NH2+]1)N1CCSC1 ZINC001246137356 812566398 /nfs/dbraw/zinc/56/63/98/812566398.db2.gz YIZWDNFXHUDVIK-HVUVFQHFSA-N 2 0 326.466 -0.641 20 0 EBADRP C[C@H]1CC[C@@H](NCCOCCOCCOCCOCC[NH3+])C[NH2+]1 ZINC001246212109 812568284 /nfs/dbraw/zinc/56/82/84/812568284.db2.gz CLYKWBDBDIHWEY-JKSUJKDBSA-N 2 0 333.473 -0.258 20 0 EBADRP [NH3+]CCOCCOCCOCCOCCN[C@H]1CCCC[NH2+]C1 ZINC001246217555 812568410 /nfs/dbraw/zinc/56/84/10/812568410.db2.gz TVXPPUKYMCVVKQ-INIZCTEOSA-N 2 0 333.473 -0.257 20 0 EBADRP O=C([C@@H]1C[C@H](N[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)C[NH2+]1)N1CCSC1 ZINC001246255042 812569309 /nfs/dbraw/zinc/56/93/09/812569309.db2.gz IPBHIAZENWXJBE-RZLSGREXSA-N 2 0 340.493 -0.250 20 0 EBADRP CCOC(=O)C[C@H]([NH2+][C@H]1CN[C@H](C(=O)OC)C1)C1CC[NH2+]CC1 ZINC001246231499 812569612 /nfs/dbraw/zinc/56/96/12/812569612.db2.gz UVBDDDMCSLUZLJ-RDBSUJKOSA-N 2 0 327.425 -0.199 20 0 EBADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)C[C@@H]1C(=O)OC ZINC001246555358 812575561 /nfs/dbraw/zinc/57/55/61/812575561.db2.gz XKBPLMSVSPBBSI-ZWUHOBOKSA-N 2 0 328.409 -0.097 20 0 EBADRP O=C([C@@H]1C[C@@H](N2CCO[C@@]3(CCC[NH2+]C3)C2)C[NH2+]1)N1CCSC1 ZINC001246619038 812577003 /nfs/dbraw/zinc/57/70/03/812577003.db2.gz KORQFYUCQWWYKS-IJEWVQPXSA-N 2 0 340.493 -0.296 20 0 EBADRP O=C([C@@H]1C[C@H](N2CCC[C@@]3(C[NH2+]CCO3)C2)C[NH2+]1)N1CCSC1 ZINC001246647059 812577967 /nfs/dbraw/zinc/57/79/67/812577967.db2.gz GRRMYARDZVATGC-OFQRWUPVSA-N 2 0 340.493 -0.296 20 0 EBADRP COC(=O)[C@H]1C[C@@H]([N@@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CN1 ZINC001246675367 812580630 /nfs/dbraw/zinc/58/06/30/812580630.db2.gz XGLWMNXKCXRFTD-ZPVXYNJMSA-N 2 0 337.420 -0.780 20 0 EBADRP COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CCNC3(C[NH2+]C3)C2)O1 ZINC001246697436 812581523 /nfs/dbraw/zinc/58/15/23/812581523.db2.gz AHGLPDLQMYGMJQ-YJNKXOJESA-N 2 0 338.452 -0.925 20 0 EBADRP c1cnc(N2CCO[C@H]3C[N@@H+]([C@H]4CCNC5(C[NH2+]C5)C4)C[C@H]32)nc1 ZINC001246706258 812581681 /nfs/dbraw/zinc/58/16/81/812581681.db2.gz OQUPAMDSOFMSFH-ZNMIVQPWSA-N 2 0 330.436 -0.540 20 0 EBADRP O=C([C@@H]1COC[C@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21)N1CCCC1 ZINC001246706904 812582145 /nfs/dbraw/zinc/58/21/45/812582145.db2.gz SUECBXKGIMJTSN-YYIAUSFCSA-N 2 0 348.491 -0.103 20 0 EBADRP CS(=O)(=O)N1C[C@H]2CCC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)[C@H]2C1 ZINC001246747534 812586055 /nfs/dbraw/zinc/58/60/55/812586055.db2.gz OTQZHLBWQJVDDA-RDBSUJKOSA-N 2 0 328.482 -0.564 20 0 EBADRP NC(=O)c1cccnc1N1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246848288 812590530 /nfs/dbraw/zinc/59/05/30/812590530.db2.gz YBXZTGOIAVDSRW-ZDUSSCGKSA-N 2 0 330.436 -0.604 20 0 EBADRP O=S1(=O)CCCCN1C1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246955363 812593944 /nfs/dbraw/zinc/59/39/44/812593944.db2.gz PUYPNNKFHPCTCR-OAHLLOKOSA-N 2 0 342.509 -0.030 20 0 EBADRP O=C1CC2(C[NH2+]C2)[C@H](c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)N1 ZINC001247870588 812603546 /nfs/dbraw/zinc/60/35/46/812603546.db2.gz OCYJNXCJGRDXRP-ZDUSSCGKSA-N 2 0 326.360 -0.072 20 0 EBADRP C[NH+]1CCN(CC[NH2+]C[C@@H](O)COc2ccc(CCO)cc2)CC1 ZINC001253159539 812673333 /nfs/dbraw/zinc/67/33/33/812673333.db2.gz UWPQQAJWEGYJTN-QGZVFWFLSA-N 2 0 337.464 -0.202 20 0 EBADRP [NH3+]CCC[NH2+]CCCCn1cc(CN2CCS(=O)(=O)CC2)nn1 ZINC001254163776 812698159 /nfs/dbraw/zinc/69/81/59/812698159.db2.gz XUMMFZOHNYVPBZ-UHFFFAOYSA-N 2 0 344.485 -0.773 20 0 EBADRP CC1(C)CN(CCN2CC[N@H+](CCO)C(C)(C)C2)CC[NH+]1CCO ZINC001255407091 812713532 /nfs/dbraw/zinc/71/35/32/812713532.db2.gz MRJQUEUOLRVANL-UHFFFAOYSA-N 2 0 342.528 -0.237 20 0 EBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCN2CC[NH+](C)CC2)C[C@H]1C(=O)OC ZINC001257717039 812769588 /nfs/dbraw/zinc/76/95/88/812769588.db2.gz SKEUWOJOOOUTOU-RRFJBIMHSA-N 2 0 341.452 -0.046 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC001261644908 812959060 /nfs/dbraw/zinc/95/90/60/812959060.db2.gz QIYUYRVCLXRDPC-OAHLLOKOSA-N 2 0 340.468 -0.138 20 0 EBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001261819748 812991535 /nfs/dbraw/zinc/99/15/35/812991535.db2.gz IPKGAWYVPJZWQW-CHWSQXEVSA-N 2 0 326.441 -0.401 20 0 EBADRP CCC[NH2+]CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001262095248 813035308 /nfs/dbraw/zinc/03/53/08/813035308.db2.gz PJPARVDKLOSYNE-XQQFMLRXSA-N 2 0 325.413 -0.438 20 0 EBADRP C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC001262222535 813049843 /nfs/dbraw/zinc/04/98/43/813049843.db2.gz VJHSCAYTMKMNEZ-OAHLLOKOSA-N 2 0 338.452 -0.434 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081506754 813098705 /nfs/dbraw/zinc/09/87/05/813098705.db2.gz WLAOGSUWVFNNNI-HUUCEWRRSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1O ZINC001081506616 813099300 /nfs/dbraw/zinc/09/93/00/813099300.db2.gz UZNOWEGZIYIPQY-CABCVRRESA-N 2 0 342.484 -0.396 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CCSC1 ZINC001263095414 813107182 /nfs/dbraw/zinc/10/71/82/813107182.db2.gz LPDFJLNZIVZCHT-DOMZBBRYSA-N 2 0 328.482 -0.263 20 0 EBADRP [NH3+]CCN1CCC[C@@H](C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC001263160597 813107866 /nfs/dbraw/zinc/10/78/66/813107866.db2.gz IOGQLBSAFIKMRX-GJZGRUSLSA-N 2 0 338.452 -0.447 20 0 EBADRP CNC(=O)NC(=O)C[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001264987554 813212676 /nfs/dbraw/zinc/21/26/76/813212676.db2.gz BMXYHEQEWVZAHL-VXGBXAGGSA-N 2 0 327.429 -0.780 20 0 EBADRP COC[C@H](O)C[NH+]1CCN(CCCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001265247423 813274497 /nfs/dbraw/zinc/27/44/97/813274497.db2.gz JVUFMTFZKHIJJF-HZPDHXFCSA-N 2 0 342.484 -0.788 20 0 EBADRP CC(C)(C(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001265441688 813324784 /nfs/dbraw/zinc/32/47/84/813324784.db2.gz PTEYHSNGGIUHIP-ZDUSSCGKSA-N 2 0 346.497 -0.400 20 0 EBADRP CS(=O)(=O)NCC[NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001265635278 813352186 /nfs/dbraw/zinc/35/21/86/813352186.db2.gz TYCHGQHLJPPQDO-CQSZACIVSA-N 2 0 346.497 -0.540 20 0 EBADRP CC1CC[NH+](CC(=O)NCCC[N@H+](C)[C@H]2CCC(=O)NC2=O)CC1 ZINC001265944787 813421663 /nfs/dbraw/zinc/42/16/63/813421663.db2.gz QQLGSZDDMKUWJR-AWEZNQCLSA-N 2 0 338.452 -0.038 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCN2CCNC2=O)C1)[NH+](C)C ZINC001266015600 813439470 /nfs/dbraw/zinc/43/94/70/813439470.db2.gz HNYNUWZKYLAKGW-KBPBESRZSA-N 2 0 325.457 -0.210 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001266079959 813452555 /nfs/dbraw/zinc/45/25/55/813452555.db2.gz XBSWANZLMIMAMN-KBPBESRZSA-N 2 0 348.513 -0.107 20 0 EBADRP CNC(=O)NC(=O)C[N@H+](CCCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001266174488 813471950 /nfs/dbraw/zinc/47/19/50/813471950.db2.gz JYLDSMTYHGNUQN-UHFFFAOYSA-N 2 0 339.440 -0.492 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081732024 813486061 /nfs/dbraw/zinc/48/60/61/813486061.db2.gz BNFXNJBDHWDYAP-CABCVRRESA-N 2 0 342.484 -0.395 20 0 EBADRP C[NH+](C)CCCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081732164 813486894 /nfs/dbraw/zinc/48/68/94/813486894.db2.gz DNQATCPZBIGQIC-CABCVRRESA-N 2 0 342.484 -0.395 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1O ZINC001081736012 813494638 /nfs/dbraw/zinc/49/46/38/813494638.db2.gz SAUPNUXZWJXEEI-DZGCQCFKSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001081775066 813544444 /nfs/dbraw/zinc/54/44/44/813544444.db2.gz WVPPSIOGAAWKMT-GJZGRUSLSA-N 2 0 342.484 -0.395 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CCNS(C)(=O)=O)C1CC1 ZINC001266415191 813562842 /nfs/dbraw/zinc/56/28/42/813562842.db2.gz RVJWPFCYWDOMRJ-KBPBESRZSA-N 2 0 346.497 -0.496 20 0 EBADRP O=C(NC[C@H]([NH2+]CCN1C(=O)CCC1=O)C1CC1)C12CC[NH+](CC1)C2 ZINC001266438903 813570529 /nfs/dbraw/zinc/57/05/29/813570529.db2.gz GHGGFYJOBNQSGO-AWEZNQCLSA-N 2 0 348.447 -0.284 20 0 EBADRP CN(CC[NH2+]CC1(CS(C)(=O)=O)CC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001266659533 813634018 /nfs/dbraw/zinc/63/40/18/813634018.db2.gz FAJKUEJAXRCMIL-CYBMUJFWSA-N 2 0 331.482 -0.047 20 0 EBADRP CN(CC[NH2+]C[C@H](O)COC1CCOCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001266660116 813634381 /nfs/dbraw/zinc/63/43/81/813634381.db2.gz KEWFVEHKIDYJKD-GOEBONIOSA-N 2 0 343.468 -0.315 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001266674471 813638118 /nfs/dbraw/zinc/63/81/18/813638118.db2.gz YWRWFWMQRIHFKY-ZNMIVQPWSA-N 2 0 326.441 -0.530 20 0 EBADRP CN(CC[NH2+]CCN1CCNC1=O)C(=O)CC1CC[NH+](C)CC1 ZINC001266854588 813684390 /nfs/dbraw/zinc/68/43/90/813684390.db2.gz VCERYYAPAGKMHM-UHFFFAOYSA-N 2 0 325.457 -0.209 20 0 EBADRP CN1CCO[C@@H](C(=O)N2CCCC[C@H]2CNC(=O)CC[NH+](C)C)C1 ZINC001081979600 813701355 /nfs/dbraw/zinc/70/13/55/813701355.db2.gz PDYPAFWLNMZNEG-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCN1C(=O)CNC1=O ZINC001266960012 813710893 /nfs/dbraw/zinc/71/08/93/813710893.db2.gz AUWLTIATKFZATI-GFCCVEGCSA-N 2 0 339.440 -0.493 20 0 EBADRP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CCN1C(=O)CNC1=O ZINC001266971309 813714772 /nfs/dbraw/zinc/71/47/72/813714772.db2.gz LDQPLVGMOJXNPE-LBPRGKRZSA-N 2 0 341.456 -0.390 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CCO)C1)[NH+](C)C ZINC001267001830 813728014 /nfs/dbraw/zinc/72/80/14/813728014.db2.gz BJYDQVHTEXMZOZ-KGLIPLIRSA-N 2 0 328.457 -0.737 20 0 EBADRP CS(=O)(=O)NCC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001267069012 813751340 /nfs/dbraw/zinc/75/13/40/813751340.db2.gz NBYPZBMWSZVUJB-CYBMUJFWSA-N 2 0 332.470 -0.931 20 0 EBADRP CN(CC[NH2+]Cc1cnnn1C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001267373637 813864169 /nfs/dbraw/zinc/86/41/69/813864169.db2.gz GXHCUFNBFHUBOR-UHFFFAOYSA-N 2 0 334.428 -0.565 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N(C)CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001267380504 813867507 /nfs/dbraw/zinc/86/75/07/813867507.db2.gz PUMNTQHZAYQNSL-RYUDHWBXSA-N 2 0 330.404 -0.481 20 0 EBADRP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CC(=O)N1CCOCC1)[NH+](C)C ZINC001267387238 813871619 /nfs/dbraw/zinc/87/16/19/813871619.db2.gz KWYJOLACEQLTEL-HNNXBMFYSA-N 2 0 328.457 -0.521 20 0 EBADRP CC1CC[NH+](CC(=O)N(C)CC[NH2+]CCN(C)S(C)(=O)=O)CC1 ZINC001267444874 813898384 /nfs/dbraw/zinc/89/83/84/813898384.db2.gz QRBJPMRYGYFLQY-UHFFFAOYSA-N 2 0 348.513 -0.342 20 0 EBADRP CNC(=O)NC(=O)C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001267499349 813916712 /nfs/dbraw/zinc/91/67/12/813916712.db2.gz SLWDBPFBKXGBGA-ZDUSSCGKSA-N 2 0 341.456 -0.247 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082449845 813949305 /nfs/dbraw/zinc/94/93/05/813949305.db2.gz LHBXAKJUCKQDLI-JHJVBQTASA-N 2 0 337.424 -0.931 20 0 EBADRP COCCOC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267607214 813949482 /nfs/dbraw/zinc/94/94/82/813949482.db2.gz TWHOTUGQSKAGAH-ARFHVFGLSA-N 2 0 343.468 -0.315 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082515624 813961988 /nfs/dbraw/zinc/96/19/88/813961988.db2.gz SGFNUWWCVKGTNU-FVQBIDKESA-N 2 0 349.479 -0.210 20 0 EBADRP CC(=O)NCCOCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267747036 814021902 /nfs/dbraw/zinc/02/19/02/814021902.db2.gz HDVGVYLEPOCHHA-HUUCEWRRSA-N 2 0 326.441 -0.576 20 0 EBADRP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCCN1C(=O)CNC1=O ZINC001267801017 814044583 /nfs/dbraw/zinc/04/45/83/814044583.db2.gz RGYNBXKMOHKZRH-OLZOCXBDSA-N 2 0 339.440 -0.493 20 0 EBADRP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCN1C(=O)CCC1=O ZINC001267803545 814045553 /nfs/dbraw/zinc/04/55/53/814045553.db2.gz BGJMORNNPNLZHE-HZSPNIEDSA-N 2 0 338.452 -0.040 20 0 EBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001268133214 814131209 /nfs/dbraw/zinc/13/12/09/814131209.db2.gz DCVIUDWDIATBDM-STQMWFEESA-N 2 0 334.486 -0.686 20 0 EBADRP C[C@H](C(=O)NC[C@H](O)C[NH2+]CCn1cncn1)[NH+]1CCCCCC1 ZINC001268323831 814202003 /nfs/dbraw/zinc/20/20/03/814202003.db2.gz KOOPTEUTZFBYLP-HUUCEWRRSA-N 2 0 338.456 -0.391 20 0 EBADRP C[C@H](C(=O)N[C@@H](C)CC[NH2+]CC(=O)NC(N)=O)[NH+]1CCCCCC1 ZINC001268403248 814232771 /nfs/dbraw/zinc/23/27/71/814232771.db2.gz KXJQZZJTOUGQET-QWHCGFSZSA-N 2 0 341.456 -0.070 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001268525320 814274668 /nfs/dbraw/zinc/27/46/68/814274668.db2.gz XDPWUXRLAKHRTN-SWVJOTTGSA-N 2 0 338.452 -0.362 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001268556720 814291053 /nfs/dbraw/zinc/29/10/53/814291053.db2.gz QPIMQEGJPPLZOW-QMAVJUDZSA-N 2 0 325.413 -0.812 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC/C=C/C[NH2+]CC(=O)N(C)C ZINC001268625987 814325611 /nfs/dbraw/zinc/32/56/11/814325611.db2.gz XBANYIUNQYUPFX-ISZGNANSSA-N 2 0 326.441 -0.695 20 0 EBADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCN1C(=O)CNC1=O ZINC001268645816 814335513 /nfs/dbraw/zinc/33/55/13/814335513.db2.gz ILPJISBPOSMGLM-CHWSQXEVSA-N 2 0 339.440 -0.495 20 0 EBADRP CN(CCC[NH2+]CC(=O)N1CCOCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268915720 814441229 /nfs/dbraw/zinc/44/12/29/814441229.db2.gz PKSHJTJPDZKPFH-HNNXBMFYSA-N 2 0 340.468 -0.375 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2O)n1 ZINC001083469182 814464051 /nfs/dbraw/zinc/46/40/51/814464051.db2.gz JKQOOBNJDRLJRK-KGLIPLIRSA-N 2 0 327.404 -0.421 20 0 EBADRP CN(CC(=O)N1CC2(CCN2C(=O)[C@H]2CC3CC[NH+]2CC3)C1)C(N)=[NH2+] ZINC001268996593 814467556 /nfs/dbraw/zinc/46/75/56/814467556.db2.gz NWKCFKFAKMCUPZ-CYBMUJFWSA-N 2 0 348.451 -0.891 20 0 EBADRP CN(CC(=O)N1CCCC2(C[NH+](CCn3ccnc3)C2)C1)C(N)=[NH2+] ZINC001268997252 814468333 /nfs/dbraw/zinc/46/83/33/814468333.db2.gz XUDSYVYCIZTXNK-UHFFFAOYSA-N 2 0 333.440 -0.367 20 0 EBADRP CN(CC(=O)N1CC[C@H]2C[N@H+](Cc3cccc(=O)[nH]3)C[C@H]21)C(N)=[NH2+] ZINC001268997227 814468368 /nfs/dbraw/zinc/46/83/68/814468368.db2.gz XJFSZAYHLBQXEK-WCQYABFASA-N 2 0 332.408 -0.355 20 0 EBADRP CC[N@H+](C)CC(=O)N1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001269095159 814530259 /nfs/dbraw/zinc/53/02/59/814530259.db2.gz OCJMGYDXEKUDBV-QGZVFWFLSA-N 2 0 338.452 -0.133 20 0 EBADRP CS(=O)(=O)CC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001269135997 814546726 /nfs/dbraw/zinc/54/67/26/814546726.db2.gz RTPACCJRJPIWAD-CYBMUJFWSA-N 2 0 329.466 -0.389 20 0 EBADRP CS(=O)(=O)NCC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001269134407 814546948 /nfs/dbraw/zinc/54/69/48/814546948.db2.gz AUNGYUJWVZCVEH-CYBMUJFWSA-N 2 0 344.481 -0.884 20 0 EBADRP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)[C@@H]1CCC[N@H+](C)C1)C2 ZINC001269173006 814565115 /nfs/dbraw/zinc/56/51/15/814565115.db2.gz NLSUNIPUULVKCU-CQSZACIVSA-N 2 0 338.452 -0.670 20 0 EBADRP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCN1C(=O)CNC1=O ZINC001269426265 814687662 /nfs/dbraw/zinc/68/76/62/814687662.db2.gz WXAHIPWMTQAZLY-CHWSQXEVSA-N 2 0 339.440 -0.493 20 0 EBADRP O=C(NCC1([NH2+]CCN2C(=O)CNC2=O)CC1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001269428493 814688882 /nfs/dbraw/zinc/68/88/82/814688882.db2.gz NVWGUNVEAVFIDY-GHMZBOCLSA-N 2 0 346.391 -0.697 20 0 EBADRP CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@H]1CCC(=O)NC1=O ZINC001269432930 814691124 /nfs/dbraw/zinc/69/11/24/814691124.db2.gz OYHDSDBARBICCR-OLZOCXBDSA-N 2 0 336.436 -0.096 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@]2(CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001269735643 815584665 /nfs/dbraw/zinc/58/46/65/815584665.db2.gz BYXUHMYTWGNYFL-SUMWQHHRSA-N 2 0 336.436 -0.332 20 0 EBADRP C[C@@H](C(=O)N1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2)[NH+](C)C ZINC001269796853 815608468 /nfs/dbraw/zinc/60/84/68/815608468.db2.gz LBVDMKNMNCNDOK-BBRMVZONSA-N 2 0 326.441 -0.672 20 0 EBADRP CS(=O)(=O)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001270050818 815674458 /nfs/dbraw/zinc/67/44/58/815674458.db2.gz PKSNSWVLGVJZJL-HUUCEWRRSA-N 2 0 343.493 -0.047 20 0 EBADRP Cn1cncc1CC(=O)N1CCC[C@@H]1C[NH2+]CCCS(C)(=O)=O ZINC001270292978 815743636 /nfs/dbraw/zinc/74/36/36/815743636.db2.gz DUJNEMVJGFRIJH-CYBMUJFWSA-N 2 0 342.465 -0.022 20 0 EBADRP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001084831939 815991835 /nfs/dbraw/zinc/99/18/35/815991835.db2.gz GQBQZVAQLUVJBG-IXDOHACOSA-N 2 0 347.463 -0.128 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C[C@H]3C(=O)NC3CC[NH+](C)CC3)C2)C1 ZINC001271176345 816019127 /nfs/dbraw/zinc/01/91/27/816019127.db2.gz PPUCWCWTPYSFDP-HIFRSBDPSA-N 2 0 334.464 -0.003 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)n1 ZINC001085203026 816029728 /nfs/dbraw/zinc/02/97/28/816029728.db2.gz KUXKSGSCHSXFIA-CHWSQXEVSA-N 2 0 336.440 -0.439 20 0 EBADRP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)C34CC[NH+](CC3)CC4)C[C@H]21 ZINC001271290536 816064670 /nfs/dbraw/zinc/06/46/70/816064670.db2.gz OOKVKGWFTKXKRZ-CVEARBPZSA-N 2 0 336.480 -0.055 20 0 EBADRP C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)CC3)[C@@H]2C1 ZINC001271938557 816258852 /nfs/dbraw/zinc/25/88/52/816258852.db2.gz AQQYCHLETHSLTO-BZUAXINKSA-N 2 0 346.475 -0.003 20 0 EBADRP Cn1nncc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001086373004 816310447 /nfs/dbraw/zinc/31/04/47/816310447.db2.gz HHCKDODCFSCNCN-YXWQFLTLSA-N 2 0 348.451 -0.337 20 0 EBADRP CC(C)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001272169319 816337140 /nfs/dbraw/zinc/33/71/40/816337140.db2.gz SGOOBDXYTSIIAQ-HNNXBMFYSA-N 2 0 340.468 -0.737 20 0 EBADRP CCn1nncc1C[NH2+]CCN(CCO)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001272197505 816348924 /nfs/dbraw/zinc/34/89/24/816348924.db2.gz SNAPIZGVBDAYIV-OAHLLOKOSA-N 2 0 338.456 -0.307 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)cn1 ZINC001086502470 816356485 /nfs/dbraw/zinc/35/64/85/816356485.db2.gz BCVVBLZGXJBYBQ-QEJZJMRPSA-N 2 0 348.451 -0.569 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N(CCO)CC[NH2+]CCS(C)(=O)=O)CC[N@@H+]1C ZINC001272242732 816367612 /nfs/dbraw/zinc/36/76/12/816367612.db2.gz JYUUIOJIRTXLOX-KBPBESRZSA-N 2 0 349.497 -0.828 20 0 EBADRP CNC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001272294785 816388922 /nfs/dbraw/zinc/38/89/22/816388922.db2.gz CYPDCQVXIMIBLG-KGLIPLIRSA-N 2 0 328.457 -0.737 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCNS(C)(=O)=O)C1 ZINC001272383675 816416817 /nfs/dbraw/zinc/41/68/17/816416817.db2.gz ITUIVHQUGAWQCE-UONOGXRCSA-N 2 0 346.497 -0.542 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2[NH2+]CCO)cn1 ZINC001086979338 816432498 /nfs/dbraw/zinc/43/24/98/816432498.db2.gz VMDHJPAFKWGQHG-GVDBMIGSSA-N 2 0 347.463 -0.362 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001086996545 816440401 /nfs/dbraw/zinc/44/04/01/816440401.db2.gz JSGHGRHNYJDDLC-AEGPPILISA-N 2 0 348.451 -0.726 20 0 EBADRP CC(C)NC(=O)NCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272495051 816445140 /nfs/dbraw/zinc/44/51/40/816445140.db2.gz ALRHWGNXSYPRGY-KBPBESRZSA-N 2 0 343.472 -0.755 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001272543948 816468018 /nfs/dbraw/zinc/46/80/18/816468018.db2.gz GZQYKSYDXUCDBH-KBPBESRZSA-N 2 0 338.452 -0.038 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CC[NH+](C)C[C@@]2(CCCC(=O)N2)C1 ZINC001272556116 816473187 /nfs/dbraw/zinc/47/31/87/816473187.db2.gz VVRVWEHCZJXTDO-YOEHRIQHSA-N 2 0 337.468 -0.955 20 0 EBADRP CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001087256694 816485658 /nfs/dbraw/zinc/48/56/58/816485658.db2.gz GBVYVBCUMZGPQS-OLZOCXBDSA-N 2 0 335.408 -0.229 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCc2nc(C[NH2+]C[C@H]3CCOC3)cc(=O)[nH]2)C1 ZINC001087261917 816495059 /nfs/dbraw/zinc/49/50/59/816495059.db2.gz GVSKNWJKJMWWKV-CHWSQXEVSA-N 2 0 349.435 -0.124 20 0 EBADRP COc1cncc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CN(C)CCO2)n1 ZINC001272702545 816508890 /nfs/dbraw/zinc/50/88/90/816508890.db2.gz HVCIGCUVFHQSLT-OCCSQVGLSA-N 2 0 337.424 -0.200 20 0 EBADRP Cc1noc(CN2C(=O)COCC23C[NH+](CC2CC[NH2+]CC2)C3)n1 ZINC001273030802 816570942 /nfs/dbraw/zinc/57/09/42/816570942.db2.gz ONLWYAPUKZMDNR-UHFFFAOYSA-N 2 0 335.408 -0.209 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCNS(C)(=O)=O)CCC1 ZINC001273055934 816574154 /nfs/dbraw/zinc/57/41/54/816574154.db2.gz OTIIEQQCLNPHBF-GFCCVEGCSA-N 2 0 332.470 -0.742 20 0 EBADRP C[NH+](C)CCN1CC[C@@]2(CC[N@H+](CC3C(=O)N=CNC3=O)C2)C1=O ZINC001273163732 816597971 /nfs/dbraw/zinc/59/79/71/816597971.db2.gz BNBPJQACOVIADB-MRXNPFEDSA-N 2 0 335.408 -0.126 20 0 EBADRP C[C@@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)C[NH+]1CCCC1 ZINC001273183403 816601594 /nfs/dbraw/zinc/60/15/94/816601594.db2.gz KLWIWSLBAXYTKN-AWEZNQCLSA-N 2 0 326.441 -0.575 20 0 EBADRP CS(=O)(=O)NCC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC001273200375 816608264 /nfs/dbraw/zinc/60/82/64/816608264.db2.gz AFRHUVJGONQFCM-UHFFFAOYSA-N 2 0 332.470 -0.740 20 0 EBADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)CC[C@@H]2C1 ZINC001088201170 816648251 /nfs/dbraw/zinc/64/82/51/816648251.db2.gz ORHLDMRTAZRRES-ILXRZTDVSA-N 2 0 348.447 -0.332 20 0 EBADRP CCOC(=O)CC[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273469284 816680151 /nfs/dbraw/zinc/68/01/51/816680151.db2.gz DYZBHPOPUNFQQI-MRXNPFEDSA-N 2 0 327.425 -0.196 20 0 EBADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](CCCCCC(N)=O)C2)OCC1=O ZINC001273761176 816751351 /nfs/dbraw/zinc/75/13/51/816751351.db2.gz DINFNYSOPYBJLI-KRWDZBQOSA-N 2 0 340.468 -0.103 20 0 EBADRP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@H+](CCS(C)(=O)=O)C2)C1=O ZINC001273811736 816770223 /nfs/dbraw/zinc/77/02/23/816770223.db2.gz QFBNZSYXUWSXQN-HNNXBMFYSA-N 2 0 345.465 -0.566 20 0 EBADRP CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273900222 816803353 /nfs/dbraw/zinc/80/33/53/816803353.db2.gz ZYBJDOUGJHKUNH-YOEHRIQHSA-N 2 0 341.452 -0.214 20 0 EBADRP CC[C@@H](C(=O)NC1(C[NH2+]CCS(C)(=O)=O)CCOCC1)N(C)C ZINC001274005842 816840041 /nfs/dbraw/zinc/84/00/41/816840041.db2.gz BPIQKNOBMJLJSS-ZDUSSCGKSA-N 2 0 349.497 -0.374 20 0 EBADRP C[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001274046908 816846846 /nfs/dbraw/zinc/84/68/46/816846846.db2.gz JNBPQUPTMAGCOF-SJLPKXTDSA-N 2 0 338.496 -0.071 20 0 EBADRP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001274209179 816895159 /nfs/dbraw/zinc/89/51/59/816895159.db2.gz YPFFKBPBVBCCNC-GXTWGEPZSA-N 2 0 346.497 -0.544 20 0 EBADRP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001089894471 816935160 /nfs/dbraw/zinc/93/51/60/816935160.db2.gz UZFDVVNQZFGADC-VGWMRTNUSA-N 2 0 346.475 -0.003 20 0 EBADRP CC(C)c1nccn1CC(=O)NC/C=C/CNCc1nc(=O)n(C)[nH]1 ZINC001274405781 816949460 /nfs/dbraw/zinc/94/94/60/816949460.db2.gz YFWFPUZYEGOKNJ-SNAWJCMRSA-N 2 0 347.423 -0.110 20 0 EBADRP CC(C)OC[C@H](O)C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274628568 817045722 /nfs/dbraw/zinc/04/57/22/817045722.db2.gz UWZWFXVKUSUNRB-WBVHZDCISA-N 2 0 343.468 -0.363 20 0 EBADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](CC3(O)CCOCC3)C2)OCC1=O ZINC001274644659 817056304 /nfs/dbraw/zinc/05/63/04/817056304.db2.gz CKRLSLPWBWKXOR-KRWDZBQOSA-N 2 0 341.452 -0.607 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001276048730 817348101 /nfs/dbraw/zinc/34/81/01/817348101.db2.gz XBTCKGSBACNOEF-LBPRGKRZSA-N 2 0 341.456 -0.247 20 0 EBADRP C[NH+](C)CCc1ccc(C(=O)N[C@H]2CC[N@H+](CCO)C[C@H]2O)cc1 ZINC001090578384 817558924 /nfs/dbraw/zinc/55/89/24/817558924.db2.gz WPJFNOQDSJQJDX-DLBZAZTESA-N 2 0 335.448 -0.052 20 0 EBADRP C[N@H+](CCOCCNC(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCCNC1=O ZINC001277476014 817574566 /nfs/dbraw/zinc/57/45/66/817574566.db2.gz KNINIZZMBGSRBR-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP CN(C)C(=O)CNC(=O)c1[nH]nc2c1C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC001277821157 817640230 /nfs/dbraw/zinc/64/02/30/817640230.db2.gz FIEGHFVCHRDRRT-UHFFFAOYSA-N 2 0 348.451 -0.415 20 0 EBADRP O=C(N1CCn2cnnc2C1)[C@@]12C[C@@H]1C[N@H+](CC1CC[NH2+]CC1)C2 ZINC001277822158 817640521 /nfs/dbraw/zinc/64/05/21/817640521.db2.gz QWIDGEXRYHJVMK-RHSMWYFYSA-N 2 0 330.436 -0.058 20 0 EBADRP Cn1nnnc1NC(=O)[C@@H]1CCC2(C[NH+](CC3CC[NH2+]CC3)C2)O1 ZINC001277824631 817641432 /nfs/dbraw/zinc/64/14/32/817641432.db2.gz UQUQBFWSFCOMNX-LBPRGKRZSA-N 2 0 335.412 -0.618 20 0 EBADRP CC(=O)NCC[N@H+]1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001277910561 817654732 /nfs/dbraw/zinc/65/47/32/817654732.db2.gz RSQZRQVMKLIKFE-QGZVFWFLSA-N 2 0 339.484 -0.659 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001277916523 817655930 /nfs/dbraw/zinc/65/59/30/817655930.db2.gz KMXBYUYVHWUNPC-QWHCGFSZSA-N 2 0 337.424 -0.787 20 0 EBADRP C[NH+](C)CCN1CCn2c(nnc2C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001278045885 817685312 /nfs/dbraw/zinc/68/53/12/817685312.db2.gz HKYOJYLRWOMRJH-UHFFFAOYSA-N 2 0 349.483 -0.179 20 0 EBADRP CN1CC[N@H+](CCCN2CC[NH+](C)CC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001278116914 817702144 /nfs/dbraw/zinc/70/21/44/817702144.db2.gz ILYWCQSUEIJBJD-GOSISDBHSA-N 2 0 337.512 -0.090 20 0 EBADRP Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090729802 817705265 /nfs/dbraw/zinc/70/52/65/817705265.db2.gz AFKLFVKDWGLYJR-HOTGVXAUSA-N 2 0 347.463 -0.390 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001090957065 817828670 /nfs/dbraw/zinc/82/86/70/817828670.db2.gz UHSSXKBWQODHBK-BPCQOVAHSA-N 2 0 337.424 -0.883 20 0 EBADRP CN(C[C@H](O)C[NH2+]CCNC(=O)C1CC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001278791227 817833584 /nfs/dbraw/zinc/83/35/84/817833584.db2.gz LTIGDOCGCCYDDU-ZIAGYGMSSA-N 2 0 326.441 -0.984 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CCN2CCNC2=O)C1 ZINC001091100595 817879751 /nfs/dbraw/zinc/87/97/51/817879751.db2.gz ZHJKDOJXBJWYDK-NRXISQOPSA-N 2 0 337.468 -0.020 20 0 EBADRP CCNC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001279736767 817978671 /nfs/dbraw/zinc/97/86/71/817978671.db2.gz FQOZLEPXXMTPRE-HUUCEWRRSA-N 2 0 340.468 -0.450 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCN2CCNC2=O)C1 ZINC001279999601 818010577 /nfs/dbraw/zinc/01/05/77/818010577.db2.gz NXGAQGZBPWRWDM-GJZGRUSLSA-N 2 0 337.468 -0.066 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001280273792 818030679 /nfs/dbraw/zinc/03/06/79/818030679.db2.gz JGHQQSQOEQWSNK-LBPRGKRZSA-N 2 0 327.429 -0.649 20 0 EBADRP COCC[NH2+]CC1(NC(=O)COC2CC[NH+](C)CC2)CCOCC1 ZINC001281280433 818133083 /nfs/dbraw/zinc/13/30/83/818133083.db2.gz QCAOJEGEYGLOHQ-UHFFFAOYSA-N 2 0 343.468 -0.001 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+]CCOCCO)CC1 ZINC001281626853 818237694 /nfs/dbraw/zinc/23/76/94/818237694.db2.gz LHAHQSFUZXGBCZ-CQSZACIVSA-N 2 0 329.441 -0.967 20 0 EBADRP O=C([C@@H]1CCC[C@@H]2CCC[N@@H+]21)N1CCC(O)(C[NH2+]CCO)CC1 ZINC001281635327 818239752 /nfs/dbraw/zinc/23/97/52/818239752.db2.gz QUXMAZZWDHPNJQ-CABCVRRESA-N 2 0 325.453 -0.061 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1(CO)CC[NH+](CCOCCO)CC1 ZINC001281816306 818285108 /nfs/dbraw/zinc/28/51/08/818285108.db2.gz HKWCGHNZSOLSNV-HNNXBMFYSA-N 2 0 343.468 -0.577 20 0 EBADRP C[NH+](C)CCCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC001281914136 818314200 /nfs/dbraw/zinc/31/42/00/818314200.db2.gz BUQLJZVSZBZXCS-KFWWJZLASA-N 2 0 340.468 -0.642 20 0 EBADRP CN(C[C@@H]1CCN1C(=O)COCC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001282025576 818335184 /nfs/dbraw/zinc/33/51/84/818335184.db2.gz HXHCLXXDDRARNG-LSDHHAIUSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001282186717 818373271 /nfs/dbraw/zinc/37/32/71/818373271.db2.gz WZYXBKBTWKBOHO-RYUDHWBXSA-N 2 0 341.456 -0.249 20 0 EBADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[N@H+](C)CCN1C(=O)CCC1=O ZINC001282448868 818432554 /nfs/dbraw/zinc/43/25/54/818432554.db2.gz HQXMQXFQVVHYSR-ZDUSSCGKSA-N 2 0 338.452 -0.086 20 0 EBADRP C[C@H](CCC[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001283215258 818704149 /nfs/dbraw/zinc/70/41/49/818704149.db2.gz UFLVRGQOXVRCIY-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283278347 818734426 /nfs/dbraw/zinc/73/44/26/818734426.db2.gz LBIBEDWHJAJHEM-NWDGAFQWSA-N 2 0 327.429 -0.732 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCNC(=O)C1CC1 ZINC001283770864 818942484 /nfs/dbraw/zinc/94/24/84/818942484.db2.gz GAIJSWROGTUWTN-ZIAGYGMSSA-N 2 0 326.441 -0.936 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1C ZINC001283925467 819030882 /nfs/dbraw/zinc/03/08/82/819030882.db2.gz DAROVZLBYIRXPV-QWHCGFSZSA-N 2 0 334.486 -0.544 20 0 EBADRP C[C@H]1C[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)CN1C(=O)CC[NH+](C)C ZINC001284001640 819058290 /nfs/dbraw/zinc/05/82/90/819058290.db2.gz CDRQOTDOZAINMV-UONOGXRCSA-N 2 0 348.513 -0.201 20 0 EBADRP C[C@H](O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001098368080 819153191 /nfs/dbraw/zinc/15/31/91/819153191.db2.gz BIDLXURHDMOLCZ-WMLDXEAASA-N 2 0 339.480 -0.006 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC([N@@H+](CCO)CCCO)CC1 ZINC001098368659 819155180 /nfs/dbraw/zinc/15/51/80/819155180.db2.gz VHISTQZDTHVCIE-KRWDZBQOSA-N 2 0 339.480 -0.004 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N1CCC([NH+](CCO)CCO)CC1 ZINC001098384230 819161910 /nfs/dbraw/zinc/16/19/10/819161910.db2.gz OBMAXMDTGJMSJC-HNNXBMFYSA-N 2 0 333.448 -0.056 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CCC([N@H+](CCO)CCCO)CC1)C1CC1 ZINC001098392445 819168053 /nfs/dbraw/zinc/16/80/53/819168053.db2.gz RIVSENDFXBYUCU-MRXNPFEDSA-N 2 0 327.469 -0.006 20 0 EBADRP CC[C@H](C(=O)N1CCC([N@H+](CCO)CC(=O)NC)CC1)[NH+](C)C ZINC001098404148 819172202 /nfs/dbraw/zinc/17/22/02/819172202.db2.gz FDADNISEDIQPEV-CQSZACIVSA-N 2 0 328.457 -0.642 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH+](CCO)CC(N)=O)CC1 ZINC001098405985 819173341 /nfs/dbraw/zinc/17/33/41/819173341.db2.gz AFMQGXCXOSJQES-CQSZACIVSA-N 2 0 326.441 -0.759 20 0 EBADRP NC(=O)C[N@H+](CCO)C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001098419783 819180099 /nfs/dbraw/zinc/18/00/99/819180099.db2.gz IOPPVFURFUUXBN-UHFFFAOYSA-N 2 0 345.403 -0.282 20 0 EBADRP O=C(N1CCC([NH+](CCO)CCO)CC1)C12CCC[NH+]1CCC2 ZINC001098418955 819180489 /nfs/dbraw/zinc/18/04/89/819180489.db2.gz RXEZKTIBIGSPQZ-UHFFFAOYSA-N 2 0 325.453 -0.108 20 0 EBADRP C[C@H](O)C[N@H+](CCO)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001098462164 819200258 /nfs/dbraw/zinc/20/02/58/819200258.db2.gz FWJKVKFFEZLYCS-AWEZNQCLSA-N 2 0 327.469 -0.006 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC([N@H+](CCO)CCOCCO)CC1 ZINC001098467611 819204468 /nfs/dbraw/zinc/20/44/68/819204468.db2.gz LNQDCDKSHUGYON-UHFFFAOYSA-N 2 0 331.457 -0.768 20 0 EBADRP C[C@H](O)C[N@H+](CCO)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001098477588 819207280 /nfs/dbraw/zinc/20/72/80/819207280.db2.gz AVVZSQMVELMXDS-GJZGRUSLSA-N 2 0 327.469 -0.006 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC([NH+](CCO)CC(N)=O)CC2)C1 ZINC001098477735 819209704 /nfs/dbraw/zinc/20/97/04/819209704.db2.gz HGXPFRJAYAQLES-ZDUSSCGKSA-N 2 0 326.441 -0.901 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC([N@H+](CCO)C[C@H](O)COC)CC1 ZINC001098506216 819221932 /nfs/dbraw/zinc/22/19/32/819221932.db2.gz OLFRSKWEYIWTJK-INIZCTEOSA-N 2 0 345.484 -0.379 20 0 EBADRP C[C@H](O)C[N@H+](CCO)C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001098533082 819233775 /nfs/dbraw/zinc/23/37/75/819233775.db2.gz RNUUOAXKYPTJME-AWEZNQCLSA-N 2 0 331.457 -0.769 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC([NH+](CCO)CCCO)CC2)C1 ZINC001098533099 819235474 /nfs/dbraw/zinc/23/54/74/819235474.db2.gz SJIVNPZIIMQLHE-OAHLLOKOSA-N 2 0 327.469 -0.004 20 0 EBADRP C[C@H](O)C[N@H+](CCO)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001098536354 819235811 /nfs/dbraw/zinc/23/58/11/819235811.db2.gz GOJPCNSEVXWQLG-AWEZNQCLSA-N 2 0 325.453 -0.252 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH+](CCO)CCOCCO)CC2)C1 ZINC001098561178 819244324 /nfs/dbraw/zinc/24/43/24/819244324.db2.gz VMNUYPJHROOMGD-OAHLLOKOSA-N 2 0 343.468 -0.768 20 0 EBADRP C[C@@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)nn1 ZINC001098711305 819339430 /nfs/dbraw/zinc/33/94/30/819339430.db2.gz SNHQEKXEYIUWMS-UKRRQHHQSA-N 2 0 338.456 -0.136 20 0 EBADRP CN(CCOCC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001284870479 819382463 /nfs/dbraw/zinc/38/24/63/819382463.db2.gz QALGPMYBIBPBPP-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCN2CCNC2=O)C3)C1 ZINC001099159916 819427373 /nfs/dbraw/zinc/42/73/73/819427373.db2.gz MBIQRDJDAJEZGT-MPGHIAIKSA-N 2 0 349.479 -0.066 20 0 EBADRP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@H+](CCn3cccn3)C[C@@H]2O)CCC1 ZINC001099872424 819809939 /nfs/dbraw/zinc/80/99/39/819809939.db2.gz UGSLNOOPUPBDFD-CABCVRRESA-N 2 0 335.452 -0.081 20 0 EBADRP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CCOCCO)C[C@H]1O)C1CCC1 ZINC001099880210 819823372 /nfs/dbraw/zinc/82/33/72/819823372.db2.gz WPRMOUKDNLVIKA-HUUCEWRRSA-N 2 0 329.441 -0.969 20 0 EBADRP COCCOCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099974734 819979691 /nfs/dbraw/zinc/97/96/91/819979691.db2.gz UVXIIJMKWADROB-GJZGRUSLSA-N 2 0 331.457 -0.457 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCOCCOC)C[C@@H]1O ZINC001100082341 820181043 /nfs/dbraw/zinc/18/10/43/820181043.db2.gz ALCGBQNDRRXVHQ-GJZGRUSLSA-N 2 0 331.457 -0.457 20 0 EBADRP O=C(CCC[NH+]1CCCC1)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100125345 820256967 /nfs/dbraw/zinc/25/69/67/820256967.db2.gz WNLQWVMAEZPDNF-HOTGVXAUSA-N 2 0 343.468 -0.577 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCc2ccnn2C)C[C@@H]1O ZINC001100132035 820271984 /nfs/dbraw/zinc/27/19/84/820271984.db2.gz MFTBXVXOEFRMMI-CVEARBPZSA-N 2 0 337.468 -0.146 20 0 EBADRP CCOCCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001100185562 820307346 /nfs/dbraw/zinc/30/73/46/820307346.db2.gz GDROWGQHSYATIS-YMAMQOFZSA-N 2 0 340.468 -0.282 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CC(CNC(=O)C[N@H+](C)C3CCC3)C2)nc1=O ZINC001100410726 820408537 /nfs/dbraw/zinc/40/85/37/820408537.db2.gz KINXGYQXSOHPPX-UHFFFAOYSA-N 2 0 336.440 -0.423 20 0 EBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001100444636 820423804 /nfs/dbraw/zinc/42/38/04/820423804.db2.gz STTZLWCGVVXFHY-UHFFFAOYSA-N 2 0 340.468 -0.425 20 0 EBADRP C[NH+](C)CCC(=O)NCC1CC([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001100637526 820496786 /nfs/dbraw/zinc/49/67/86/820496786.db2.gz WDQJQRZEZRQZPH-NRXISQOPSA-N 2 0 340.468 -0.594 20 0 EBADRP CC[C@@H](C(=O)NCC1CC([NH2+]CCOCCNC(C)=O)C1)[NH+](C)C ZINC001100683596 820511025 /nfs/dbraw/zinc/51/10/25/820511025.db2.gz JKHLXNGFQVOUCO-GPANFISMSA-N 2 0 342.484 -0.036 20 0 EBADRP CCOCCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001100683883 820511180 /nfs/dbraw/zinc/51/11/80/820511180.db2.gz WQVGLMJEVGEEBW-NRXISQOPSA-N 2 0 342.484 -0.036 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1CC([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001100770893 820547109 /nfs/dbraw/zinc/54/71/09/820547109.db2.gz PCBNZLKOTJFJRF-UHFFFAOYSA-N 2 0 338.452 -0.038 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001100803617 820557617 /nfs/dbraw/zinc/55/76/17/820557617.db2.gz AIWKXIODMBYFDM-IYXRBSQSSA-N 2 0 340.468 -0.284 20 0 EBADRP C[C@H]([NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1)c1nnnn1C ZINC001100870477 820585377 /nfs/dbraw/zinc/58/53/77/820585377.db2.gz HCUDQBMZMVLIHH-HIFPTAJRSA-N 2 0 339.444 -0.666 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC1CC([NH2+]CC(=O)NC2CC2)C1 ZINC001100870366 820585558 /nfs/dbraw/zinc/58/55/58/820585558.db2.gz DYYCVCKOXSWNKJ-UHFFFAOYSA-N 2 0 326.441 -0.672 20 0 EBADRP C[C@@H]([NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1)c1nnnn1C ZINC001100870483 820585601 /nfs/dbraw/zinc/58/56/01/820585601.db2.gz HCUDQBMZMVLIHH-PNESKVBLSA-N 2 0 339.444 -0.666 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001100904681 820595198 /nfs/dbraw/zinc/59/51/98/820595198.db2.gz BGFYPNMXJGCLIQ-UHFFFAOYSA-N 2 0 338.452 -0.038 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]C1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001101035833 820660149 /nfs/dbraw/zinc/66/01/49/820660149.db2.gz BAASLIBYCFIGAZ-GPANFISMSA-N 2 0 345.484 -0.165 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCOCCO)C[C@@]2(C)C1 ZINC001101171817 820709679 /nfs/dbraw/zinc/70/96/79/820709679.db2.gz MDRSVSMVRHBKQO-VYDXJSESSA-N 2 0 325.453 -0.130 20 0 EBADRP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@H+](CCOCCO)C2 ZINC001101431628 820788661 /nfs/dbraw/zinc/78/86/61/820788661.db2.gz XGCACYBGPHUMCW-WBVHZDCISA-N 2 0 337.464 -0.129 20 0 EBADRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1C)[NH+](C)C ZINC001102088052 821022458 /nfs/dbraw/zinc/02/24/58/821022458.db2.gz JYQILZFPAOIOAI-MGPQQGTHSA-N 2 0 348.513 -0.440 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001295121833 821052492 /nfs/dbraw/zinc/05/24/92/821052492.db2.gz WFBVESHAABSXNR-HDJSIYSDSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513493 821134697 /nfs/dbraw/zinc/13/46/97/821134697.db2.gz MWUYEATVNFPLJI-RBSFLKMASA-N 2 0 340.468 -0.473 20 0 EBADRP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513622 821134789 /nfs/dbraw/zinc/13/47/89/821134789.db2.gz UFYQISPVBAPQDJ-RBSFLKMASA-N 2 0 340.468 -0.521 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](CC(N)=O)C[C@H]2C)C1 ZINC001103365274 821298467 /nfs/dbraw/zinc/29/84/67/821298467.db2.gz WQOIJDQMLKIKRA-KFWWJZLASA-N 2 0 340.468 -0.345 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103641817 821336579 /nfs/dbraw/zinc/33/65/79/821336579.db2.gz FOEHRSWNALETFD-OAGGEKHMSA-N 2 0 345.484 -0.354 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)N(C)C ZINC001104908339 821563841 /nfs/dbraw/zinc/56/38/41/821563841.db2.gz SEUTYPGQSPBOPM-HUUCEWRRSA-N 2 0 342.484 -0.273 20 0 EBADRP C[C@H](O)CCC[NH2+]Cc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001105320663 821690605 /nfs/dbraw/zinc/69/06/05/821690605.db2.gz FCUSRJHHNJOOMJ-ZDUSSCGKSA-N 2 0 338.456 -0.136 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001316666326 821826829 /nfs/dbraw/zinc/82/68/29/821826829.db2.gz HHLDCJZCEBFJSB-MELADBBJSA-N 2 0 346.497 -0.638 20 0 EBADRP CNC(=O)NC(=O)C[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001316824660 821869268 /nfs/dbraw/zinc/86/92/68/821869268.db2.gz KRKNDFFLMHEMPO-ZDUSSCGKSA-N 2 0 341.456 -0.247 20 0 EBADRP CNC(=O)NC(=O)C[N@H+](C)CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001316850677 821889813 /nfs/dbraw/zinc/88/98/13/821889813.db2.gz HLRLVYGHWMUGEG-LBPRGKRZSA-N 2 0 327.429 -0.778 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C2)CC1 ZINC001316984446 821960904 /nfs/dbraw/zinc/96/09/04/821960904.db2.gz AFPFFJTXUISOLW-ZDUSSCGKSA-N 2 0 336.436 -0.332 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001105945132 822016330 /nfs/dbraw/zinc/01/63/30/822016330.db2.gz LWNLWCLOXVJUSG-MGPQQGTHSA-N 2 0 331.482 -0.191 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001317627778 822183551 /nfs/dbraw/zinc/18/35/51/822183551.db2.gz XGCOPSDPFZPQKW-ZDUSSCGKSA-N 2 0 339.440 -0.682 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC(C[N@H+](C)[C@@H]2CCC(=O)NC2=O)CC1 ZINC001317879351 822229166 /nfs/dbraw/zinc/22/91/66/822229166.db2.gz AXQJHIWHERAADI-CQSZACIVSA-N 2 0 338.452 -0.086 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106322089 822247271 /nfs/dbraw/zinc/24/72/71/822247271.db2.gz IWFANTNBLAJGLX-UPJWGTAASA-N 2 0 339.440 -0.650 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C2)C1 ZINC001106666488 822308838 /nfs/dbraw/zinc/30/88/38/822308838.db2.gz MJVXGBQCALQISK-JHJVBQTASA-N 2 0 339.440 -0.793 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)[C@H](C)C1 ZINC001106840059 822339401 /nfs/dbraw/zinc/33/94/01/822339401.db2.gz WFUVTPCDSGJWLK-MGPQQGTHSA-N 2 0 338.452 -0.183 20 0 EBADRP CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCN1C(=O)CNC1=O ZINC001318593829 822340481 /nfs/dbraw/zinc/34/04/81/822340481.db2.gz CGYKFKIBPIXMEU-OLZOCXBDSA-N 2 0 339.440 -0.636 20 0 EBADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106897541 822350435 /nfs/dbraw/zinc/35/04/35/822350435.db2.gz HBFDVSFDUSZHRA-CHWSQXEVSA-N 2 0 341.456 -0.403 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@H]1CCN(c2cccc(C[NH2+]CCO)n2)C1 ZINC001128135908 828420942 /nfs/dbraw/zinc/42/09/42/828420942.db2.gz CETIFUGXEJJWGD-INIZCTEOSA-N 2 0 347.463 -0.046 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001128533708 828470862 /nfs/dbraw/zinc/47/08/62/828470862.db2.gz QLXSEZKYFQONPW-LBPRGKRZSA-N 2 0 347.435 -0.392 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]CCOCCNC(C)=O ZINC001128533211 828471375 /nfs/dbraw/zinc/47/13/75/828471375.db2.gz JGSQUEDHVGGSMQ-AWEZNQCLSA-N 2 0 334.436 -0.475 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001128539600 828472045 /nfs/dbraw/zinc/47/20/45/828472045.db2.gz HZWORSXVLUKITI-KGLIPLIRSA-N 2 0 346.447 -0.381 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001128784944 828526649 /nfs/dbraw/zinc/52/66/49/828526649.db2.gz PHIZTZJNMAKZQW-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)COCCOC ZINC001128786177 828526710 /nfs/dbraw/zinc/52/67/10/828526710.db2.gz SHNIHCZSLZXDAM-HUUCEWRRSA-N 2 0 331.457 -0.410 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1 ZINC001107039266 823720628 /nfs/dbraw/zinc/72/06/28/823720628.db2.gz OPIQVYCASWDDBA-CHWSQXEVSA-N 2 0 338.456 -0.367 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001129084320 828568665 /nfs/dbraw/zinc/56/86/65/828568665.db2.gz HRMQRDYJDKIFMB-MCIONIFRSA-N 2 0 338.456 -0.269 20 0 EBADRP CCOCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129205629 828580638 /nfs/dbraw/zinc/58/06/38/828580638.db2.gz YXMQAILSXMZJMH-CABCVRRESA-N 2 0 338.456 -0.002 20 0 EBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001129329733 828598275 /nfs/dbraw/zinc/59/82/75/828598275.db2.gz ZTRZGDPLEDLBRY-CQSZACIVSA-N 2 0 325.457 -0.305 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129363585 828604955 /nfs/dbraw/zinc/60/49/55/828604955.db2.gz KAQHDHWEMQXEQS-GXTWGEPZSA-N 2 0 326.441 -0.530 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C1([NH+](C)C)CCC1)C(=O)Nc1ncccn1 ZINC001129356247 828604988 /nfs/dbraw/zinc/60/49/88/828604988.db2.gz DYGLEWZFLYDKFP-GFCCVEGCSA-N 2 0 334.424 -0.006 20 0 EBADRP C[NH+](C)C1(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)CCC1 ZINC001129356820 828605007 /nfs/dbraw/zinc/60/50/07/828605007.db2.gz IRZLIJKTEPZWAI-CYBMUJFWSA-N 2 0 326.441 -0.528 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129429448 828617090 /nfs/dbraw/zinc/61/70/90/828617090.db2.gz GNMHKRORVFIICA-AWEZNQCLSA-N 2 0 346.497 -0.352 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001129423891 828617239 /nfs/dbraw/zinc/61/72/39/828617239.db2.gz YFZDNKNVTOXNAT-CYBMUJFWSA-N 2 0 334.486 -0.496 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001129423933 828617262 /nfs/dbraw/zinc/61/72/62/828617262.db2.gz YKHVYXSXIRPQJC-HZPDHXFCSA-N 2 0 345.484 -0.021 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CC(=O)Nc1nncs1)C1CC1 ZINC001129435944 828618575 /nfs/dbraw/zinc/61/85/75/828618575.db2.gz KIBVMVJGTVLNNS-LLVKDONJSA-N 2 0 326.426 -0.477 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129532304 828631301 /nfs/dbraw/zinc/63/13/01/828631301.db2.gz YHSRTUQCYZZUOL-UHFFFAOYSA-N 2 0 327.429 -0.588 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001109672252 824583219 /nfs/dbraw/zinc/58/32/19/824583219.db2.gz ADJSIRAIRPFQDB-RDBSUJKOSA-N 2 0 336.436 -0.191 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129849629 828681249 /nfs/dbraw/zinc/68/12/49/828681249.db2.gz NWHVDXKWJCGRNM-QWHCGFSZSA-N 2 0 341.456 -0.199 20 0 EBADRP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110981501 824826600 /nfs/dbraw/zinc/82/66/00/824826600.db2.gz TVVUMZUIXAUSLD-OAGGEKHMSA-N 2 0 340.468 -0.188 20 0 EBADRP COCCOC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110981080 824826765 /nfs/dbraw/zinc/82/67/65/824826765.db2.gz IPAAZLSSQZEWQO-FPCVCCKLSA-N 2 0 343.468 -0.317 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947069 828698399 /nfs/dbraw/zinc/69/83/99/828698399.db2.gz IKORWHDQTGYGOE-ZDUSSCGKSA-N 2 0 336.502 -0.392 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947140 828698809 /nfs/dbraw/zinc/69/88/09/828698809.db2.gz LKLASUJYWHCEFV-NEPJUHHUSA-N 2 0 329.445 -0.487 20 0 EBADRP COCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129994195 828710351 /nfs/dbraw/zinc/71/03/51/828710351.db2.gz AOWDREZGDGJGAT-QLFBSQMISA-N 2 0 338.456 -0.148 20 0 EBADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1 ZINC001130091457 828731473 /nfs/dbraw/zinc/73/14/73/828731473.db2.gz UVYMXZZKCBEIEX-KFWWJZLASA-N 2 0 348.451 -0.250 20 0 EBADRP O=C(NCC[NH2+]C[C@H](O)Cn1cccn1)C12CCC[NH+](CCC1)C2 ZINC001130169185 828743469 /nfs/dbraw/zinc/74/34/69/828743469.db2.gz AHDNKXXBRKMASG-HNNXBMFYSA-N 2 0 335.452 -0.174 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130173873 828744942 /nfs/dbraw/zinc/74/49/42/828744942.db2.gz SAZMJPKWPPULSV-GFCCVEGCSA-N 2 0 339.440 -0.588 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130186137 828749556 /nfs/dbraw/zinc/74/95/56/828749556.db2.gz BHRIYXFAJBGDNR-VXGBXAGGSA-N 2 0 325.413 -0.835 20 0 EBADRP O=C(NCC[NH2+]CCN1C(=O)CCC1=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130190158 828752267 /nfs/dbraw/zinc/75/22/67/828752267.db2.gz WPEVFQGYXPYLHJ-ZIAGYGMSSA-N 2 0 336.436 -0.142 20 0 EBADRP CCn1nncc1C[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130229892 828760293 /nfs/dbraw/zinc/76/02/93/828760293.db2.gz BZRNTHWWQLTOBW-UHFFFAOYSA-N 2 0 338.456 -0.138 20 0 EBADRP CN1CCC[C@H]([NH2+]CCNC(=O)C(C)(C)C[NH+]2CCOCC2)C1=O ZINC001130231739 828761514 /nfs/dbraw/zinc/76/15/14/828761514.db2.gz FHUCCYWEWOPQBO-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112194352 825400730 /nfs/dbraw/zinc/40/07/30/825400730.db2.gz ZZTSHSYFNABCGF-QJPTWQEYSA-N 2 0 341.374 -0.076 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130298253 828776886 /nfs/dbraw/zinc/77/68/86/828776886.db2.gz ZOOJBEZWZIAVLC-ZDUSSCGKSA-N 2 0 334.486 -0.494 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1nncs1 ZINC001130296683 828776987 /nfs/dbraw/zinc/77/69/87/828776987.db2.gz AQDSDPNJZHLFLE-SNVBAGLBSA-N 2 0 326.426 -0.333 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ncccn1 ZINC001130297376 828777192 /nfs/dbraw/zinc/77/71/92/828777192.db2.gz LOLFLCVQZOXTPE-CHWSQXEVSA-N 2 0 334.424 -0.006 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001130296695 828777252 /nfs/dbraw/zinc/77/72/52/828777252.db2.gz BARJXDOQBXJKDX-CYBMUJFWSA-N 2 0 332.470 -0.788 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ncccn1 ZINC001130297385 828777314 /nfs/dbraw/zinc/77/73/14/828777314.db2.gz LOLFLCVQZOXTPE-STQMWFEESA-N 2 0 334.424 -0.006 20 0 EBADRP Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)[C@H]3CCCC[N@@H+]3C)C2=O)cn1 ZINC001130303637 828778331 /nfs/dbraw/zinc/77/83/31/828778331.db2.gz GKLREQSENGFAJT-HUUCEWRRSA-N 2 0 348.451 -0.285 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[NH+](C[C@H]2CCNC(=O)CC2)CC1 ZINC001113545344 825915462 /nfs/dbraw/zinc/91/54/62/825915462.db2.gz KTSVVCUFKULLDD-OAHLLOKOSA-N 2 0 340.468 -0.375 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)[C@@H]1C ZINC001179861136 833018330 /nfs/dbraw/zinc/01/83/30/833018330.db2.gz MUVZDELNJSRYNR-RYUDHWBXSA-N 2 0 327.429 -0.637 20 0 EBADRP C[N@H+](CC(=O)N[C@@H]1[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21)C1CCC1 ZINC001114414537 826239316 /nfs/dbraw/zinc/23/93/16/826239316.db2.gz WXJQZFUBYYDCHA-FOLVSLTJSA-N 2 0 335.452 -0.458 20 0 EBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C)C(=O)NC1CC1 ZINC001179935781 833027864 /nfs/dbraw/zinc/02/78/64/833027864.db2.gz IFCRHUQZAZNQKX-YDHLFZDLSA-N 2 0 340.468 -0.189 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)COCC[NH+](C)C ZINC001179933987 833028225 /nfs/dbraw/zinc/02/82/25/833028225.db2.gz QENVQKRPJWFOLS-KBPBESRZSA-N 2 0 341.456 -0.831 20 0 EBADRP COCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001114589448 826293305 /nfs/dbraw/zinc/29/33/05/826293305.db2.gz HWUZXIRMBXOUER-ZBKZBXIDSA-N 2 0 335.448 -0.068 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21)[C@H](C1CC1)[NH+]1CCCC1 ZINC001114606456 826296346 /nfs/dbraw/zinc/29/63/46/826296346.db2.gz FTVQQBBNZRQDDY-HZMVEIRTSA-N 2 0 337.464 -0.084 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001180123661 833045629 /nfs/dbraw/zinc/04/56/29/833045629.db2.gz KCBCBOQTJWFXAC-UHFFFAOYSA-N 2 0 329.445 -0.211 20 0 EBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2[C@H]3C[N@H+](CCn4cncn4)C[C@H]32)CC1 ZINC001115038369 826406165 /nfs/dbraw/zinc/40/61/65/826406165.db2.gz LBSNPSQPJFPUBN-QLPKVWCKSA-N 2 0 348.451 -0.565 20 0 EBADRP CN1CCC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)COCC[NH+](C)C)C1=O ZINC001115126494 826428337 /nfs/dbraw/zinc/42/83/37/826428337.db2.gz ONOOPCJJPYIMAU-CTASWTNQSA-N 2 0 338.452 -0.768 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115153835 826433976 /nfs/dbraw/zinc/43/39/76/826433976.db2.gz BWUGYLZVXCVTNZ-IATRGZMQSA-N 2 0 336.436 -0.430 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001115245856 826471157 /nfs/dbraw/zinc/47/11/57/826471157.db2.gz ZRIWQJIJZBHWST-CAOSSQGBSA-N 2 0 341.452 -0.990 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1C ZINC001180226820 833060109 /nfs/dbraw/zinc/06/01/09/833060109.db2.gz OFPILAFQEGKUOS-STQMWFEESA-N 2 0 334.486 -0.545 20 0 EBADRP Cn1[nH]c(C[NH2+]CCCCCCNC(=O)C[NH+]2CCCC2)nc1=O ZINC001180274734 833068001 /nfs/dbraw/zinc/06/80/01/833068001.db2.gz UANREKYJNROTEK-UHFFFAOYSA-N 2 0 338.456 -0.030 20 0 EBADRP C[C@@H]([NH2+]CCCCCCNC(=O)C[NH+]1CCCC1)C(=O)NC(N)=O ZINC001180278913 833068533 /nfs/dbraw/zinc/06/85/33/833068533.db2.gz TYTHMRZZPAQEPZ-CYBMUJFWSA-N 2 0 341.456 -0.068 20 0 EBADRP C[NH+](C)CCCC(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCCCC1 ZINC001115697487 826570573 /nfs/dbraw/zinc/57/05/73/826570573.db2.gz FIHQFYBGRBPLGU-UHFFFAOYSA-N 2 0 341.456 -0.068 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001211089889 837385534 /nfs/dbraw/zinc/38/55/34/837385534.db2.gz BTAAOVKAXNKJOO-CVEARBPZSA-N 2 0 335.452 -0.080 20 0 EBADRP CC(C)[NH+]1CCN(CC(=O)NCCN2CCC[N@H+](C)CC2)CC1 ZINC001180350670 833076756 /nfs/dbraw/zinc/07/67/56/833076756.db2.gz DGYMOLJWBBRDCD-UHFFFAOYSA-N 2 0 325.501 -0.234 20 0 EBADRP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NC1(C[NH3+])COC1 ZINC001180408705 833081111 /nfs/dbraw/zinc/08/11/11/833081111.db2.gz KTFNKVCBBJPQMD-LSDHHAIUSA-N 2 0 347.415 -0.249 20 0 EBADRP C[NH+](C)C1CCN(CC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001118149692 826860801 /nfs/dbraw/zinc/86/08/01/826860801.db2.gz MSMRUXCJQABIAY-KRWDZBQOSA-N 3 0 327.517 -0.790 20 0 EBADRP [NH3+]CCCOC1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC001118205274 826875900 /nfs/dbraw/zinc/87/59/00/826875900.db2.gz IZIOMKNXNJCBGB-CQSZACIVSA-N 2 0 326.441 -0.399 20 0 EBADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC001118276975 826895124 /nfs/dbraw/zinc/89/51/24/826895124.db2.gz DADYTZKTGYQGAW-CQSZACIVSA-N 2 0 328.457 -0.343 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001118678533 826982002 /nfs/dbraw/zinc/98/20/02/826982002.db2.gz JQPNAARKLCJDOV-AWEZNQCLSA-N 2 0 326.441 -0.624 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](CO)C2)C[C@H]1C[NH+](C)C ZINC001118940671 827031971 /nfs/dbraw/zinc/03/19/71/827031971.db2.gz SBNREMOSGOVPCV-RBSFLKMASA-N 2 0 340.468 -0.975 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC12CC[NH+](C)CC2 ZINC001119692602 827133995 /nfs/dbraw/zinc/13/39/95/827133995.db2.gz LACSMPBKCFAKME-AWEZNQCLSA-N 2 0 337.468 -0.955 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC001119824290 827148720 /nfs/dbraw/zinc/14/87/20/827148720.db2.gz XTFSCISZZFSOLU-WMLDXEAASA-N 2 0 340.468 -0.519 20 0 EBADRP NC(=O)NC(=O)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCCC1 ZINC001120141395 827176560 /nfs/dbraw/zinc/17/65/60/827176560.db2.gz WRKKQGPESQQTJT-UHFFFAOYSA-N 2 0 339.440 -0.314 20 0 EBADRP CCCN(C(=O)C(=O)NC[C@@H](C[NH+](C)C)OCC)[C@H]1CC[NH2+]C1 ZINC001120444766 827223978 /nfs/dbraw/zinc/22/39/78/827223978.db2.gz ZZIWBJLOCZRRJJ-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001120448519 827225872 /nfs/dbraw/zinc/22/58/72/827225872.db2.gz BITIEHICOQMOQH-CABCVRRESA-N 2 0 340.468 -0.247 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001120530963 827240835 /nfs/dbraw/zinc/24/08/35/827240835.db2.gz PPIGUZRSWAKTSF-VNHYZAJKSA-N 2 0 338.452 -0.672 20 0 EBADRP CC[C@H](C(=O)NC1CC2(C1)CC([NH2+]CC(=O)NC(N)=O)C2)[NH+](C)C ZINC001121302080 827338006 /nfs/dbraw/zinc/33/80/06/827338006.db2.gz MSGLEHVPLXXVMI-FUQGYSAHSA-N 2 0 339.440 -0.462 20 0 EBADRP C[NH+](C)CCC(=O)NC1CC2(C1)CC([NH2+][C@H]1CCC(=O)NC1=O)C2 ZINC001121703394 827429022 /nfs/dbraw/zinc/42/90/22/827429022.db2.gz RNJZCAKVALIZDC-LMYLPIETSA-N 2 0 336.436 -0.240 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC1CC2(C1)CC([NH2+]CCO)C2 ZINC001122193239 827542545 /nfs/dbraw/zinc/54/25/45/827542545.db2.gz WSWICAYKVNHOKX-HOUHCIJLSA-N 2 0 325.453 -0.036 20 0 EBADRP O=C(NCC[NH2+]CCNC(=O)C1=CCC[NH2+]CC1)C1=CCC[NH2+]CC1 ZINC001122451402 827598412 /nfs/dbraw/zinc/59/84/12/827598412.db2.gz MLLIOHVQPYRTSC-UHFFFAOYSA-N 3 0 349.479 -0.572 20 0 EBADRP CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001182623679 833248954 /nfs/dbraw/zinc/24/89/54/833248954.db2.gz SOUKUIJSPTVONG-KGLIPLIRSA-N 2 0 329.466 -0.437 20 0 EBADRP CN(C(=O)OC(C)(C)C)[C@@H](CO)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001182954771 833270791 /nfs/dbraw/zinc/27/07/91/833270791.db2.gz XLLYVOTYODNGBJ-JTQLQIEISA-N 2 0 331.417 -0.325 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001182965487 833271328 /nfs/dbraw/zinc/27/13/28/833271328.db2.gz ZXLYNHFKKQRUOR-MNOVXSKESA-N 2 0 331.392 -0.948 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124866923 827969463 /nfs/dbraw/zinc/96/94/63/827969463.db2.gz NXBIYPLRJRPCDL-NEPJUHHUSA-N 2 0 327.429 -0.591 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124877244 827972043 /nfs/dbraw/zinc/97/20/43/827972043.db2.gz DUFBDCANNJSBDF-GFCCVEGCSA-N 2 0 327.429 -0.732 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC001124873558 827972187 /nfs/dbraw/zinc/97/21/87/827972187.db2.gz YBWPMWMQFOWFJI-ZDUSSCGKSA-N 2 0 339.440 -0.445 20 0 EBADRP Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)[C@H]3CCC[N@@H+]3C)C2=O)cn1 ZINC001124878832 827973602 /nfs/dbraw/zinc/97/36/02/827973602.db2.gz PBBHMJDGKMTQAA-ZIAGYGMSSA-N 2 0 334.424 -0.675 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001183256570 833285175 /nfs/dbraw/zinc/28/51/75/833285175.db2.gz ZQAJGSPTRKBQDV-OLZOCXBDSA-N 2 0 339.440 -0.365 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183437551 833290430 /nfs/dbraw/zinc/29/04/30/833290430.db2.gz XKKRWYFBLGZMLX-YPMHNXCESA-N 2 0 327.429 -0.781 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183450743 833291006 /nfs/dbraw/zinc/29/10/06/833291006.db2.gz YFUKDPNOJOZAAK-XQQFMLRXSA-N 2 0 341.456 -0.393 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183450370 833291040 /nfs/dbraw/zinc/29/10/40/833291040.db2.gz QLJUXGCATXRUFQ-KGLIPLIRSA-N 2 0 348.513 -0.298 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001183647355 833298063 /nfs/dbraw/zinc/29/80/63/833298063.db2.gz FMIXIWZPVUSLEP-OLZOCXBDSA-N 2 0 339.440 -0.493 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001127065601 828247106 /nfs/dbraw/zinc/24/71/06/828247106.db2.gz BVEFYJNJZXIHDT-KGLIPLIRSA-N 2 0 331.482 0.000 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127067516 828247165 /nfs/dbraw/zinc/24/71/65/828247165.db2.gz ZCYIVWOUWIEHLI-AWEZNQCLSA-N 2 0 328.457 -0.282 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127065862 828247224 /nfs/dbraw/zinc/24/72/24/828247224.db2.gz GEVSPYUBEGXUBW-ZDUSSCGKSA-N 2 0 341.456 -0.199 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001127066739 828247530 /nfs/dbraw/zinc/24/75/30/828247530.db2.gz RSXHURWPWYSUGH-GJZGRUSLSA-N 2 0 340.468 -0.140 20 0 EBADRP CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001183940205 833313482 /nfs/dbraw/zinc/31/34/82/833313482.db2.gz TZKHIPUFISFQKB-CYBMUJFWSA-N 2 0 329.466 -0.150 20 0 EBADRP CC(C)(C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)[NH+]1CCCCC1 ZINC001127327583 828278733 /nfs/dbraw/zinc/27/87/33/828278733.db2.gz QGJFAAOIOUCZTG-UHFFFAOYSA-N 2 0 339.440 -0.492 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[NH+]3CCC2CC3)n(C)n1 ZINC001127466624 828295971 /nfs/dbraw/zinc/29/59/71/828295971.db2.gz VLWFEVUIKOMTEZ-AWEZNQCLSA-N 2 0 348.451 -0.285 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127466630 828296291 /nfs/dbraw/zinc/29/62/91/828296291.db2.gz VQZDRXGRMHHORN-UKRRQHHQSA-N 2 0 340.468 -0.425 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(F)(F)F ZINC001127474030 828296974 /nfs/dbraw/zinc/29/69/74/828296974.db2.gz GIEJHBXHJCRPNV-LLVKDONJSA-N 2 0 336.358 -0.288 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)Nc1cnccn1 ZINC001127475641 828297034 /nfs/dbraw/zinc/29/70/34/828297034.db2.gz XRRQWAWGQWNGNM-CYBMUJFWSA-N 2 0 332.408 -0.537 20 0 EBADRP C[C@H](C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CS(C)(=O)=O ZINC001127481643 828297975 /nfs/dbraw/zinc/29/79/75/828297975.db2.gz VUEOXBLCXZSWIQ-TZMCWYRMSA-N 2 0 331.482 -0.285 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NCC[NH2+]C[C@@H]2CCc3ncnn32)n1 ZINC001127562126 828302690 /nfs/dbraw/zinc/30/26/90/828302690.db2.gz DGAGPBHEABYRBJ-ZDUSSCGKSA-N 2 0 346.439 -0.457 20 0 EBADRP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571262 828304334 /nfs/dbraw/zinc/30/43/34/828304334.db2.gz PDXYVBGSYVNPQP-ZBFHGGJFSA-N 2 0 340.468 -0.473 20 0 EBADRP CCn1nnc(C)c1C[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127576025 828305045 /nfs/dbraw/zinc/30/50/45/828305045.db2.gz HUJDVFFVUBSIKD-UHFFFAOYSA-N 2 0 348.455 -0.116 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)CC[N@@H+]1C ZINC001127637865 828308913 /nfs/dbraw/zinc/30/89/13/828308913.db2.gz AAVKYSHBVUNJAF-HZSPNIEDSA-N 2 0 326.441 -0.984 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]C[C@@H](O)COC2CCOCC2)CC[N@@H+]1C ZINC001127643765 828309425 /nfs/dbraw/zinc/30/94/25/828309425.db2.gz KSYAQXORDHDLJB-IIAWOOMASA-N 2 0 343.468 -0.411 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)CC[N@@H+]1C ZINC001127659621 828313856 /nfs/dbraw/zinc/31/38/56/828313856.db2.gz IFUFLJICVMGZCP-VXGBXAGGSA-N 2 0 339.440 -0.637 20 0 EBADRP CCn1nnc(C)c1C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127780126 828331055 /nfs/dbraw/zinc/33/10/55/828331055.db2.gz VZXXCMQUIZRAGC-UKRRQHHQSA-N 2 0 336.440 -0.325 20 0 EBADRP C[NH+](C)CCOCC(=O)NCc1c[nH]nc1[C@@H]1CC[N@H+](CCO)C1 ZINC001130442528 828840428 /nfs/dbraw/zinc/84/04/28/828840428.db2.gz LVOOZKHAOSKMSL-CYBMUJFWSA-N 2 0 339.440 -0.614 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001130708851 828919425 /nfs/dbraw/zinc/91/94/25/828919425.db2.gz KLDQUXDSUNKFNQ-NEPJUHHUSA-N 2 0 327.429 -0.604 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001130713748 828920474 /nfs/dbraw/zinc/92/04/74/828920474.db2.gz ZWZKAIYYBFCRHB-JKSUJKDBSA-N 2 0 345.484 -0.164 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001130713746 828920624 /nfs/dbraw/zinc/92/06/24/828920624.db2.gz ZWZKAIYYBFCRHB-HOTGVXAUSA-N 2 0 345.484 -0.164 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001184551412 833333326 /nfs/dbraw/zinc/33/33/26/833333326.db2.gz NVPNZWWILFOIQJ-OCCSQVGLSA-N 2 0 337.424 -0.754 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130805904 828944207 /nfs/dbraw/zinc/94/42/07/828944207.db2.gz SONAHQGQWVUILT-GFCCVEGCSA-N 2 0 339.440 -0.445 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001130809539 828945407 /nfs/dbraw/zinc/94/54/07/828945407.db2.gz DURPMJJOMBRCLM-AWEZNQCLSA-N 2 0 338.452 -0.432 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130810315 828945616 /nfs/dbraw/zinc/94/56/16/828945616.db2.gz QSNUOWSKZRLAPB-LLVKDONJSA-N 2 0 325.413 -0.835 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130874600 828985800 /nfs/dbraw/zinc/98/58/00/828985800.db2.gz GGQOYMGKMPAEKN-SNVBAGLBSA-N 2 0 332.364 -0.502 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001185264134 833353011 /nfs/dbraw/zinc/35/30/11/833353011.db2.gz ARDYFWQGIUKJCB-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001185268397 833353674 /nfs/dbraw/zinc/35/36/74/833353674.db2.gz CRBNISRSNWKLKT-CYBMUJFWSA-N 2 0 326.441 -0.495 20 0 EBADRP O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001131196337 829069836 /nfs/dbraw/zinc/06/98/36/829069836.db2.gz AYQFGBIBOPNJCK-LBPRGKRZSA-N 2 0 342.359 -0.608 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185401182 833357961 /nfs/dbraw/zinc/35/79/61/833357961.db2.gz LZNLLZKHICWWGI-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)Nc1ncccn1 ZINC001185408147 833358049 /nfs/dbraw/zinc/35/80/49/833358049.db2.gz MFJGYEBTCSLJOY-QWHCGFSZSA-N 2 0 334.424 -0.054 20 0 EBADRP Cn1cc(N2CC[C@@H]([NH2+][C@@H]3CCN(C(=O)CC[NH+](C)C)C3)C2=O)cn1 ZINC001185416421 833358416 /nfs/dbraw/zinc/35/84/16/833358416.db2.gz VGRIEFNEIMWCLN-UKRRQHHQSA-N 2 0 348.451 -0.332 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001185669827 833366363 /nfs/dbraw/zinc/36/63/63/833366363.db2.gz YLCVAOYCZKPYFG-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001185706328 833367598 /nfs/dbraw/zinc/36/75/98/833367598.db2.gz MVVMYEGQVOFNBO-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP Cc1nn(C)cc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519710 829153035 /nfs/dbraw/zinc/15/30/35/829153035.db2.gz JOCBISTZHVFCII-GULBITTBSA-N 2 0 333.436 -0.202 20 0 EBADRP CCCC[C@H]([NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C(N)=O ZINC001131522233 829153913 /nfs/dbraw/zinc/15/39/13/829153913.db2.gz YKCPUNQKFWXOHL-CWVKQELPSA-N 2 0 338.452 -0.401 20 0 EBADRP C[C@@H](COCC(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1)[NH+]1CCCC1 ZINC001185742864 833369123 /nfs/dbraw/zinc/36/91/23/833369123.db2.gz PDNBAKLRQUVFHE-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001185742066 833369163 /nfs/dbraw/zinc/36/91/63/833369163.db2.gz FFGPSDUAKRYKDF-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001185750700 833369403 /nfs/dbraw/zinc/36/94/03/833369403.db2.gz MBWYSKHWRGIEIK-STQMWFEESA-N 2 0 341.456 -0.404 20 0 EBADRP C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@]2(CC[N@H+](CCO)C2)O1 ZINC001131694098 829187978 /nfs/dbraw/zinc/18/79/78/829187978.db2.gz UHCIRBJYCKYTJL-HOCLYGCPSA-N 2 0 329.441 -0.751 20 0 EBADRP O=C(NCC[NH2+]C[C@@H](O)Cn1cccn1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790161 829217585 /nfs/dbraw/zinc/21/75/85/829217585.db2.gz HPOQFRWYHAPPJN-CVEARBPZSA-N 2 0 335.452 -0.176 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790629 829217670 /nfs/dbraw/zinc/21/76/70/829217670.db2.gz REYRDXVQDVLIRE-HZPDHXFCSA-N 2 0 343.468 -0.410 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790824 829218195 /nfs/dbraw/zinc/21/81/95/829218195.db2.gz WMXAHCZQEDIVEL-ZDUSSCGKSA-N 2 0 332.470 -0.884 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccccc1CC[NH+](C)C ZINC001131799320 829223342 /nfs/dbraw/zinc/22/33/42/829223342.db2.gz MYURKPPXJNSAOJ-UHFFFAOYSA-N 2 0 349.435 -0.434 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186481369 833403127 /nfs/dbraw/zinc/40/31/27/833403127.db2.gz NSOLOCQTDBHVBQ-CYBMUJFWSA-N 2 0 326.441 -0.732 20 0 EBADRP CC[C@@H](C(=O)N1C[C@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2)[NH+](C)C ZINC001186502745 833403896 /nfs/dbraw/zinc/40/38/96/833403896.db2.gz BUSSJKTUPYKPGV-KBPBESRZSA-N 2 0 340.468 -0.343 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132286649 829407172 /nfs/dbraw/zinc/40/71/72/829407172.db2.gz KXLIBBYXBLXKRX-LLVKDONJSA-N 2 0 327.429 -0.589 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C[NH2+]CCO)C3(C2)CCOCC3)C1 ZINC001186551957 833405750 /nfs/dbraw/zinc/40/57/50/833405750.db2.gz AZTKMZOOGJJKJZ-HUUCEWRRSA-N 2 0 325.453 -0.225 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001132739242 829512943 /nfs/dbraw/zinc/51/29/43/829512943.db2.gz NZFMAMUVWNVJGP-ZDUSSCGKSA-N 2 0 334.486 -0.637 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)N[C@H](C)C2CC2)C1 ZINC001132852257 829537507 /nfs/dbraw/zinc/53/75/07/829537507.db2.gz KKMNITMLMAGSPK-HIFRSBDPSA-N 2 0 340.468 -0.284 20 0 EBADRP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132853268 829538039 /nfs/dbraw/zinc/53/80/39/829538039.db2.gz YXLNLEHEPNVRGJ-UONOGXRCSA-N 2 0 328.457 -0.284 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC001132892852 829545887 /nfs/dbraw/zinc/54/58/87/829545887.db2.gz CQSPPSBQUGFVSR-ZNMIVQPWSA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)CC1 ZINC001132994856 829568751 /nfs/dbraw/zinc/56/87/51/829568751.db2.gz DXVDJWHNJVZKJR-ZDUSSCGKSA-N 2 0 326.441 -0.813 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CC1)C(=O)NC[C@H]1CCCO1 ZINC001132995538 829568986 /nfs/dbraw/zinc/56/89/86/829568986.db2.gz XABLSFIZVGLALY-ZIAGYGMSSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133091509 829582375 /nfs/dbraw/zinc/58/23/75/829582375.db2.gz RXDSCFKQOYOETG-RYUDHWBXSA-N 2 0 327.429 -0.793 20 0 EBADRP COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133287005 829615731 /nfs/dbraw/zinc/61/57/31/829615731.db2.gz BSMIPGAWBSAWFN-UKRRQHHQSA-N 2 0 331.457 -0.554 20 0 EBADRP Cn1cc(N2CCC[C@@H]([NH2+]CCNC(=O)CC[NH+](C)C)C2=O)cn1 ZINC001133290958 829615868 /nfs/dbraw/zinc/61/58/68/829615868.db2.gz GDFKCOBXJWLOCA-CQSZACIVSA-N 2 0 336.440 -0.427 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CCCO1 ZINC001133286150 829615893 /nfs/dbraw/zinc/61/58/93/829615893.db2.gz ZOPIAFIOMVYJPD-UKRRQHHQSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+]1CCC(C(=O)NCC[NH2+]CC2CCS(=O)(=O)CC2)CC1 ZINC001133287994 829616272 /nfs/dbraw/zinc/61/62/72/829616272.db2.gz QTKKXEFOMRRKGQ-UHFFFAOYSA-N 2 0 331.482 -0.141 20 0 EBADRP CC(C)[C@H](C(=O)NCC[NH2+]CC(=O)N1CCO[C@@H](C)C1)[NH+](C)C ZINC001133434363 829630954 /nfs/dbraw/zinc/63/09/54/829630954.db2.gz NZXQBQNEEUMOSD-DZGCQCFKSA-N 2 0 328.457 -0.474 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)NCCCOC)[NH+](CC)CC ZINC001133684308 829660750 /nfs/dbraw/zinc/66/07/50/829660750.db2.gz GPFJCOCQWBQZKC-CQSZACIVSA-N 2 0 330.473 -0.035 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+]C[C@@H](O)COCCOC)[NH+](CC)CC ZINC001133689580 829662271 /nfs/dbraw/zinc/66/22/71/829662271.db2.gz AGZORLIEYUUPAQ-HUUCEWRRSA-N 2 0 333.473 -0.164 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1)[NH+](CC)CC ZINC001133689688 829662373 /nfs/dbraw/zinc/66/23/73/829662373.db2.gz BGXDQJLRRXWAKM-GJZGRUSLSA-N 2 0 342.484 -0.035 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001133823882 829679168 /nfs/dbraw/zinc/67/91/68/829679168.db2.gz ROCXTBNKFCTBLX-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001133823584 829679186 /nfs/dbraw/zinc/67/91/86/829679186.db2.gz JWBGOAIKTZKOPJ-KBPBESRZSA-N 2 0 326.441 -0.671 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133819999 829679612 /nfs/dbraw/zinc/67/96/12/829679612.db2.gz UXWRZZIVMHZVRC-CYBMUJFWSA-N 2 0 334.486 -0.494 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC001133823275 829680268 /nfs/dbraw/zinc/68/02/68/829680268.db2.gz AKVVRFMXELYJPD-DZGCQCFKSA-N 2 0 348.451 -0.285 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001133823982 829680915 /nfs/dbraw/zinc/68/09/15/829680915.db2.gz UYYYSOVWUBBRKD-KGLIPLIRSA-N 2 0 346.497 -0.542 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001133823984 829681143 /nfs/dbraw/zinc/68/11/43/829681143.db2.gz UYYYSOVWUBBRKD-ZIAGYGMSSA-N 2 0 346.497 -0.542 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001133845718 829685307 /nfs/dbraw/zinc/68/53/07/829685307.db2.gz MGYVIPXZMFJHBP-UONOGXRCSA-N 2 0 326.441 -0.719 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CC2(CS(C)(=O)=O)CC2)C1 ZINC001133845460 829685761 /nfs/dbraw/zinc/68/57/61/829685761.db2.gz GLUYBBIEVUIPSA-CYBMUJFWSA-N 2 0 331.482 -0.141 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1nccs1 ZINC001133866072 829689827 /nfs/dbraw/zinc/68/98/27/829689827.db2.gz HGSIXSAMVQZKMO-GHMZBOCLSA-N 2 0 325.438 -0.015 20 0 EBADRP CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133867204 829689892 /nfs/dbraw/zinc/68/98/92/829689892.db2.gz RODZIQMVVXQAAW-HUUCEWRRSA-N 2 0 342.484 -0.179 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133873190 829692400 /nfs/dbraw/zinc/69/24/00/829692400.db2.gz QEMWBOPXVGBCIK-GFCCVEGCSA-N 2 0 341.456 -0.342 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001133894205 829694919 /nfs/dbraw/zinc/69/49/19/829694919.db2.gz XOIGEWOSQVWROA-AWEZNQCLSA-N 2 0 340.468 -0.281 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001133893689 829694952 /nfs/dbraw/zinc/69/49/52/829694952.db2.gz MDPDDWWKECGQJQ-UHFFFAOYSA-N 2 0 349.435 -0.434 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133894044 829695539 /nfs/dbraw/zinc/69/55/39/829695539.db2.gz UNHSOTCTXQBEQM-UHFFFAOYSA-N 2 0 327.429 -0.730 20 0 EBADRP C[C@@H](COCC(=O)NCC[NH2+][C@H]1CCCNC1=O)[NH+]1CCCC1 ZINC001134021009 829713407 /nfs/dbraw/zinc/71/34/07/829713407.db2.gz NVWBNFFQUAVVFK-KBPBESRZSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@@H](COCC(=O)NCC[NH2+]CCN1CCCC1=O)[NH+]1CCCC1 ZINC001134021139 829713434 /nfs/dbraw/zinc/71/34/34/829713434.db2.gz RUMVLGOXRBEMCF-HNNXBMFYSA-N 2 0 340.468 -0.185 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001134606945 829801679 /nfs/dbraw/zinc/80/16/79/829801679.db2.gz BPCZJNLJXTVUKE-CHWSQXEVSA-N 2 0 348.513 -0.107 20 0 EBADRP C[C@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)[NH+]1CCCCCC1 ZINC001134759183 829840279 /nfs/dbraw/zinc/84/02/79/829840279.db2.gz HJBOWXWAHSLTSJ-CYBMUJFWSA-N 2 0 339.440 -0.492 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1)C(=O)NC(N)=O ZINC001134759548 829840313 /nfs/dbraw/zinc/84/03/13/829840313.db2.gz SMGIUNGFZORQGJ-NEPJUHHUSA-N 2 0 327.429 -0.460 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001134766815 829840715 /nfs/dbraw/zinc/84/07/15/829840715.db2.gz MVFZKVNXDPERHA-AWEZNQCLSA-N 2 0 325.457 -0.020 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001134766707 829840744 /nfs/dbraw/zinc/84/07/44/829840744.db2.gz LKBOLEIGAUHRLW-HZPDHXFCSA-N 2 0 345.484 -0.021 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135096071 829897957 /nfs/dbraw/zinc/89/79/57/829897957.db2.gz ZWCUEZQMPFQZFP-CHWSQXEVSA-N 2 0 339.440 -0.445 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135102843 829898118 /nfs/dbraw/zinc/89/81/18/829898118.db2.gz OZLXVWBJESXSEO-HOTGVXAUSA-N 2 0 340.468 -0.138 20 0 EBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135115001 829900230 /nfs/dbraw/zinc/90/02/30/829900230.db2.gz SUMPSLMEDFMLKP-UHFFFAOYSA-N 2 0 338.456 -0.368 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135373202 829955494 /nfs/dbraw/zinc/95/54/94/829955494.db2.gz VIHOKPMXKROZJZ-ZIAGYGMSSA-N 2 0 330.473 -0.036 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C1CC[NH+](C)CC1 ZINC001135389602 829960124 /nfs/dbraw/zinc/96/01/24/829960124.db2.gz BCUGBTOJUWJQFP-NWDGAFQWSA-N 2 0 338.456 -0.177 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C1CC[NH+](C)CC1 ZINC001135389604 829961044 /nfs/dbraw/zinc/96/10/44/829961044.db2.gz BCUGBTOJUWJQFP-VXGBXAGGSA-N 2 0 338.456 -0.177 20 0 EBADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC)C(C)C ZINC001135474577 829973434 /nfs/dbraw/zinc/97/34/34/829973434.db2.gz UNVHFPYPBBGULX-STQMWFEESA-N 2 0 343.472 -0.097 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001135513771 829979709 /nfs/dbraw/zinc/97/97/09/829979709.db2.gz YDTBRIKLSJXPLH-NSHDSACASA-N 2 0 327.429 -0.589 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NCC(C)C ZINC001135513665 829980205 /nfs/dbraw/zinc/98/02/05/829980205.db2.gz UEXBBDNOIBXMEK-CYBMUJFWSA-N 2 0 343.472 -0.096 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CC1CC[NH+](C)CC1 ZINC001135612912 829994333 /nfs/dbraw/zinc/99/43/33/829994333.db2.gz BDZVYGQPFYUISI-VXGBXAGGSA-N 2 0 341.456 -0.214 20 0 EBADRP CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135651415 829997986 /nfs/dbraw/zinc/99/79/86/829997986.db2.gz KXRBMLBHCUFYAI-CHWSQXEVSA-N 2 0 338.456 -0.323 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001135706236 830012792 /nfs/dbraw/zinc/01/27/92/830012792.db2.gz QOTYERZWAKKGMN-OLZOCXBDSA-N 2 0 341.456 -0.247 20 0 EBADRP CCN(C)C(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135924060 830047328 /nfs/dbraw/zinc/04/73/28/830047328.db2.gz POKKMJAJIXRTFI-ZIAGYGMSSA-N 2 0 330.473 -0.084 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CCS(C)(=O)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001135939414 830049123 /nfs/dbraw/zinc/04/91/23/830049123.db2.gz ZWFOGCLKDMITQH-CHWSQXEVSA-N 2 0 331.482 0.000 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)COC1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001135963433 830053276 /nfs/dbraw/zinc/05/32/76/830053276.db2.gz LKYYISYJYWXBRY-LBPRGKRZSA-N 2 0 326.441 -0.530 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CCCC[NH+](C)C ZINC001135967518 830054089 /nfs/dbraw/zinc/05/40/89/830054089.db2.gz VNLBWHKSOQKALG-RYUDHWBXSA-N 2 0 329.445 -0.214 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211269741 837419787 /nfs/dbraw/zinc/41/97/87/837419787.db2.gz VCSRRVXMTAGMHS-ZDUSSCGKSA-N 2 0 341.456 -0.247 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001211285017 837421589 /nfs/dbraw/zinc/42/15/89/837421589.db2.gz PBNKLTWSVXNFKY-CYBMUJFWSA-N 2 0 339.440 -0.541 20 0 EBADRP CN(CC(=O)N1CCC([NH3+])(C(=O)NCc2ccccc2)CC1)C(N)=[NH2+] ZINC001144142948 830160883 /nfs/dbraw/zinc/16/08/83/830160883.db2.gz QQMAIECIVGOQFN-UHFFFAOYSA-N 2 0 346.435 -0.552 20 0 EBADRP COc1cccc(C[C@@H]([NH3+])C(=O)NCCN(CC[NH3+])N(O)N=O)c1 ZINC001144945833 830171888 /nfs/dbraw/zinc/17/18/88/830171888.db2.gz SILHQCNBUTXSOK-CYBMUJFWSA-N 2 0 340.384 -0.771 20 0 EBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CC[C@H](NC(C)=O)C(=O)OC ZINC001144966289 830173494 /nfs/dbraw/zinc/17/34/94/830173494.db2.gz REWPOTFZJZNUJS-LBPRGKRZSA-N 2 0 343.428 -0.492 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146340738 830193039 /nfs/dbraw/zinc/19/30/39/830193039.db2.gz SBZNBIJQVLIZOA-NEPJUHHUSA-N 2 0 327.429 -0.589 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146392372 830195571 /nfs/dbraw/zinc/19/55/71/830195571.db2.gz RTEFFDADKHMGFS-GFCCVEGCSA-N 2 0 341.456 -0.343 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001146594213 830211617 /nfs/dbraw/zinc/21/16/17/830211617.db2.gz SAVBNQVKWUDLDW-NEPJUHHUSA-N 2 0 326.445 -0.179 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)NCCCOC(C)C ZINC001146711764 830222460 /nfs/dbraw/zinc/22/24/60/830222460.db2.gz WPPUNRNABDRZAW-UHFFFAOYSA-N 2 0 330.473 -0.035 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC001146718852 830222775 /nfs/dbraw/zinc/22/27/75/830222775.db2.gz ICIRZJMPTCWNEZ-UHFFFAOYSA-N 2 0 341.456 -0.198 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O ZINC001146712035 830222971 /nfs/dbraw/zinc/22/29/71/830222971.db2.gz ZYNFLBKPTFXYLK-ZDUSSCGKSA-N 2 0 336.440 -0.427 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)N1CCOC[C@H]1C1CC1 ZINC001146719967 830223376 /nfs/dbraw/zinc/22/33/76/830223376.db2.gz YQFMOPJCFCNSMZ-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001147833711 830417557 /nfs/dbraw/zinc/41/75/57/830417557.db2.gz AKNAROKMOCAYAZ-ZIAGYGMSSA-N 2 0 338.452 -0.038 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001147891499 830426492 /nfs/dbraw/zinc/42/64/92/830426492.db2.gz AGLHHUBMUUPOKO-CQSZACIVSA-N 2 0 326.441 -0.576 20 0 EBADRP CC1CCC(NC(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C)CC1 ZINC001147893829 830426975 /nfs/dbraw/zinc/42/69/75/830426975.db2.gz UVRJSFLURTZLFT-UHFFFAOYSA-N 2 0 342.484 -0.035 20 0 EBADRP CC(C)CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147893968 830427088 /nfs/dbraw/zinc/42/70/88/830427088.db2.gz WFBSOUICKPCIIE-CQSZACIVSA-N 2 0 330.473 -0.179 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C(=O)NCC(F)(F)F ZINC001147891548 830427112 /nfs/dbraw/zinc/42/71/12/830427112.db2.gz CGWBSCJSDYPJEX-JTQLQIEISA-N 2 0 342.362 -0.663 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147891535 830427269 /nfs/dbraw/zinc/42/72/69/830427269.db2.gz BPQHYTABVXAZBB-ZDUSSCGKSA-N 2 0 334.486 -0.685 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C(=O)N1CCC(C)CC1 ZINC001147891531 830427427 /nfs/dbraw/zinc/42/74/27/830427427.db2.gz BNGXODUQKPXMDA-OAHLLOKOSA-N 2 0 342.484 -0.083 20 0 EBADRP CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900195 830428546 /nfs/dbraw/zinc/42/85/46/830428546.db2.gz JNASFKIDUSTFND-CABCVRRESA-N 2 0 342.484 -0.035 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001148058307 830444892 /nfs/dbraw/zinc/44/48/92/830444892.db2.gz XNSNMMIBHFTSPR-CYBMUJFWSA-N 2 0 349.435 -0.380 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CC3(C2)CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C3)CC1 ZINC001148160829 830449753 /nfs/dbraw/zinc/44/97/53/830449753.db2.gz MBZJMLCHMXWBGH-CYBMUJFWSA-N 2 0 348.447 -0.332 20 0 EBADRP C[NH+](C)CCCCC(=O)NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001148365562 830476794 /nfs/dbraw/zinc/47/67/94/830476794.db2.gz SOZHPXSQQATNBB-HZPDHXFCSA-N 2 0 345.484 -0.019 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001148571154 830510288 /nfs/dbraw/zinc/51/02/88/830510288.db2.gz YDHVFVTUAZPQGA-UHFFFAOYSA-N 2 0 328.457 -0.281 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001148570591 830510556 /nfs/dbraw/zinc/51/05/56/830510556.db2.gz HUMAZBQSVPJQEK-UHFFFAOYSA-N 2 0 334.486 -0.540 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]C[C@H](O)CO[C@@H](C)COC ZINC001148572667 830512510 /nfs/dbraw/zinc/51/25/10/830512510.db2.gz IRCUMEIKWNSFAW-GJZGRUSLSA-N 2 0 333.473 -0.164 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148605342 830515306 /nfs/dbraw/zinc/51/53/06/830515306.db2.gz ONMBYKMIAABSKI-AWEZNQCLSA-N 2 0 329.441 -0.894 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O ZINC001148643392 830522950 /nfs/dbraw/zinc/52/29/50/830522950.db2.gz YCRYVZBWVXGTHV-ZDUSSCGKSA-N 2 0 336.440 -0.427 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N(C)Cc1cnn(C)c1 ZINC001148642076 830523511 /nfs/dbraw/zinc/52/35/11/830523511.db2.gz DQGFQPUXEWLDDV-UHFFFAOYSA-N 2 0 338.456 -0.574 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC001148654847 830525499 /nfs/dbraw/zinc/52/54/99/830525499.db2.gz BYRGNXFJNLFZOE-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149855235 830766080 /nfs/dbraw/zinc/76/60/80/830766080.db2.gz WSIKYHSUOAERFS-JKSUJKDBSA-N 2 0 343.468 -0.315 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001150099603 830818892 /nfs/dbraw/zinc/81/88/92/830818892.db2.gz HPDCFZNXVMGOQV-PMPSAXMXSA-N 2 0 343.468 -0.315 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CCN2CCNC2=O)CCCO1 ZINC001150242512 830847054 /nfs/dbraw/zinc/84/70/54/830847054.db2.gz YSQPVNVAQWZWGL-CQSZACIVSA-N 2 0 341.456 -0.830 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001150589890 830939998 /nfs/dbraw/zinc/93/99/98/830939998.db2.gz XEEPYFFVCRFAHM-HUUCEWRRSA-N 2 0 341.452 -0.703 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606021 830942801 /nfs/dbraw/zinc/94/28/01/830942801.db2.gz ASCGWDROUPUUFQ-CVEARBPZSA-N 2 0 345.484 -0.067 20 0 EBADRP CCCn1nccc1NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151066801 831019871 /nfs/dbraw/zinc/01/98/71/831019871.db2.gz YXIGWHMHNNIDQO-ZDUSSCGKSA-N 2 0 336.440 -0.111 20 0 EBADRP O=C(C[NH+]1CCCC1)NCC[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC001151101211 831026674 /nfs/dbraw/zinc/02/66/74/831026674.db2.gz QJNXHGCTJBBOIW-LLVKDONJSA-N 2 0 336.358 -0.049 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)NCC(C)(C)C ZINC001151156737 831033878 /nfs/dbraw/zinc/03/38/78/831033878.db2.gz GQBXUXFCLMWCIM-CQSZACIVSA-N 2 0 342.484 -0.177 20 0 EBADRP COCCC1(NC(=O)CC[NH+](C)C)CC[NH+](C[C@@H](O)COC)CC1 ZINC001151307949 831055879 /nfs/dbraw/zinc/05/58/79/831055879.db2.gz GXRNTAGSKHDTQQ-OAHLLOKOSA-N 2 0 345.484 -0.067 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)CCC[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001151361691 831060834 /nfs/dbraw/zinc/06/08/34/831060834.db2.gz NTTFDQXQZIJFPB-LBPRGKRZSA-N 2 0 327.429 -0.458 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001152147979 831133887 /nfs/dbraw/zinc/13/38/87/831133887.db2.gz NRJGMXJZQYQVAE-BETUJISGSA-N 2 0 339.440 -0.493 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001152138739 831134028 /nfs/dbraw/zinc/13/40/28/831134028.db2.gz YFHBQJPPLRALOJ-OKILXGFUSA-N 2 0 328.457 -0.282 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152138741 831134260 /nfs/dbraw/zinc/13/42/60/831134260.db2.gz YFHBQJPPLRALOJ-ZIAGYGMSSA-N 2 0 328.457 -0.282 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001152145821 831134401 /nfs/dbraw/zinc/13/44/01/831134401.db2.gz DZECDCDUCLCCKC-CHWSQXEVSA-N 2 0 334.486 -0.544 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001152149153 831135264 /nfs/dbraw/zinc/13/52/64/831135264.db2.gz VMZATAGKOWZWAD-VXGBXAGGSA-N 2 0 339.440 -0.447 20 0 EBADRP O=C(CCC[NH+]1CCCC1)NCC[NH2+]CC(=O)Nc1cnccn1 ZINC001152223462 831143988 /nfs/dbraw/zinc/14/39/88/831143988.db2.gz MCKQFCIWVNCQBV-UHFFFAOYSA-N 2 0 334.424 -0.003 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)CCC[NH+]2CCCC2)CCO1 ZINC001152237609 831144460 /nfs/dbraw/zinc/14/44/60/831144460.db2.gz RJDNYEICFXLWGB-OAHLLOKOSA-N 2 0 340.468 -0.185 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152340770 831154217 /nfs/dbraw/zinc/15/42/17/831154217.db2.gz YAVHCUIMKPOCSN-UHFFFAOYSA-N 2 0 328.457 -0.279 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152340338 831154439 /nfs/dbraw/zinc/15/44/39/831154439.db2.gz MFUDVPAWSHVWMT-CYBMUJFWSA-N 2 0 341.456 -0.198 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCCNS(=O)(=O)CC ZINC001152451942 831164357 /nfs/dbraw/zinc/16/43/57/831164357.db2.gz NDBWIMUJUYTZNP-CQSZACIVSA-N 2 0 348.513 -0.104 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152446088 831164475 /nfs/dbraw/zinc/16/44/75/831164475.db2.gz TUSGWNKLJAMHAJ-GFCCVEGCSA-N 2 0 329.445 -0.345 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCOCCNC(C)=O ZINC001152459061 831165132 /nfs/dbraw/zinc/16/51/32/831165132.db2.gz XWWMSPODBZMZEP-HNNXBMFYSA-N 2 0 328.457 -0.281 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001152457704 831165407 /nfs/dbraw/zinc/16/54/07/831165407.db2.gz HINYCGFUGSYMGS-GFCCVEGCSA-N 2 0 325.413 -0.882 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152471723 831165457 /nfs/dbraw/zinc/16/54/57/831165457.db2.gz ODGDREAEAKFRLA-CQSZACIVSA-N 2 0 341.456 -0.342 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001152479534 831166539 /nfs/dbraw/zinc/16/65/39/831166539.db2.gz HCJLBOGNKMJZQS-CQSZACIVSA-N 2 0 341.456 -0.342 20 0 EBADRP CC(C)[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)[NH+]1CCCCC1 ZINC001152472077 831166889 /nfs/dbraw/zinc/16/68/89/831166889.db2.gz QAKUDIFBTKNVMD-CHWSQXEVSA-N 2 0 341.456 -0.214 20 0 EBADRP CC[N@H+](CCN1CCCC1=O)[C@H](C)CNC(=O)[C@H]1CN(C)CCO1 ZINC001152550757 831172658 /nfs/dbraw/zinc/17/26/58/831172658.db2.gz DSFOMKKEMMNSPS-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[N@H+](CCCN1C(=O)CNC1=O)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155005524 831380201 /nfs/dbraw/zinc/38/02/01/831380201.db2.gz PFWBMZOMXBKWHI-CYBMUJFWSA-N 2 0 341.456 -0.293 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nnnn1CC(F)(F)F ZINC001155810964 831431980 /nfs/dbraw/zinc/43/19/80/831431980.db2.gz DKVKFBGIRBHBMB-JTQLQIEISA-N 2 0 349.361 -0.075 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001155822083 831433409 /nfs/dbraw/zinc/43/34/09/831433409.db2.gz HZXOCGPSONMPJI-UONOGXRCSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)NC(=O)NC1CC1 ZINC001155821843 831433505 /nfs/dbraw/zinc/43/35/05/831433505.db2.gz DCNVTHFPJCASHG-WCQYABFASA-N 2 0 339.440 -0.447 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001157336304 831555066 /nfs/dbraw/zinc/55/50/66/831555066.db2.gz MRZJSURVTMDYEC-ILXRZTDVSA-N 2 0 339.484 -0.437 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H](O)C1)C(=O)N1CCCC1 ZINC001157369449 831560628 /nfs/dbraw/zinc/56/06/28/831560628.db2.gz SYMFVYTXIBWVSR-MJBXVCDLSA-N 2 0 326.441 -0.807 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)C[C@@]1(O)CCC[NH2+]C1)C(=O)N1CCCC1 ZINC001157370464 831561116 /nfs/dbraw/zinc/56/11/16/831561116.db2.gz CCFRSGLKEINYNK-YOEHRIQHSA-N 2 0 340.468 -0.273 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C(=O)N1CCCC1 ZINC001157379155 831563301 /nfs/dbraw/zinc/56/33/01/831563301.db2.gz IMWMRCXXAHTSEX-LSDHHAIUSA-N 3 0 339.484 -0.451 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157544666 831578407 /nfs/dbraw/zinc/57/84/07/831578407.db2.gz HFJLIZWDBUYTJB-VOAKCMCISA-N 2 0 344.431 -0.373 20 0 EBADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC001157721391 831588396 /nfs/dbraw/zinc/58/83/96/831588396.db2.gz XIHQZTXOYRIVSE-CABCVRRESA-N 2 0 334.420 -0.881 20 0 EBADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001157842129 831597284 /nfs/dbraw/zinc/59/72/84/831597284.db2.gz JPBALMDMMJKUHA-AGIUHOORSA-N 2 0 333.440 -0.490 20 0 EBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCN(c2nccnc2Cl)CC1 ZINC001157873845 831600965 /nfs/dbraw/zinc/60/09/65/831600965.db2.gz KIFSAXODAMCBQF-NSHDSACASA-N 2 0 336.827 -0.412 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001157886771 831603402 /nfs/dbraw/zinc/60/34/02/831603402.db2.gz MKZKLAAZWAJHHB-CYBMUJFWSA-N 2 0 341.456 -0.199 20 0 EBADRP COC(=O)c1nc2cnccc2c(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157915879 831606915 /nfs/dbraw/zinc/60/69/15/831606915.db2.gz YYDUFQFEGZMAIJ-UHFFFAOYSA-N 2 0 329.364 -0.173 20 0 EBADRP [NH3+][C@@H](CCOCc1ccccc1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091380 831626235 /nfs/dbraw/zinc/62/62/35/831626235.db2.gz BXVDMMAOMGCMTF-YJBOKZPZSA-N 2 0 346.431 -0.389 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001158080143 831626330 /nfs/dbraw/zinc/62/63/30/831626330.db2.gz ZCBYYPZOXXIGFB-GFCCVEGCSA-N 2 0 341.456 -0.070 20 0 EBADRP [NH3+][C@H](C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)c1ccc(O)cc1 ZINC001158110365 831629172 /nfs/dbraw/zinc/62/91/72/831629172.db2.gz GSNFQXSXXFTXLI-GUYCJALGSA-N 2 0 330.388 -0.670 20 0 EBADRP O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158111235 831629296 /nfs/dbraw/zinc/62/92/96/831629296.db2.gz LWJZZMOZLWAGET-GPCCPHFNSA-N 2 0 346.353 -0.678 20 0 EBADRP O=C(c1cc2c(s1)C[NH2+]CC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120078 831629846 /nfs/dbraw/zinc/62/98/46/831629846.db2.gz KYENYTFUEVUXTA-QGZVFWFLSA-N 2 0 346.456 -0.055 20 0 EBADRP O=C([C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158166980 831634456 /nfs/dbraw/zinc/63/44/56/831634456.db2.gz FVFYYVGXOXDIDQ-BFYDXBDKSA-N 3 0 336.480 -0.103 20 0 EBADRP CCOC(=O)c1cc2n(n1)CCCN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001158191639 831637875 /nfs/dbraw/zinc/63/78/75/831637875.db2.gz UZVPZWWUKWANKW-CYBMUJFWSA-N 2 0 347.419 -0.399 20 0 EBADRP CS(=O)(=O)CCC[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158202408 831638919 /nfs/dbraw/zinc/63/89/19/831638919.db2.gz SVXUNGRURYYKFM-CQSZACIVSA-N 2 0 331.482 -0.141 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C(N)=O ZINC001158257150 831640484 /nfs/dbraw/zinc/64/04/84/831640484.db2.gz RMIGHDAKYQYLCO-CFVMTHIKSA-N 2 0 340.468 -0.297 20 0 EBADRP CC1(C)[C@H]2[C@@H]1C[NH2+][C@@H]2C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277687 831642679 /nfs/dbraw/zinc/64/26/79/831642679.db2.gz RZXKFSOSKDHRNP-UBHSHLNASA-N 2 0 330.436 -0.057 20 0 EBADRP [NH3+][C@H](C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1)C1CC[NH2+]CC1 ZINC001158277172 831642777 /nfs/dbraw/zinc/64/27/77/831642777.db2.gz LNXKFPHPIXGJOQ-AWEZNQCLSA-N 3 0 333.440 -0.974 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158334595 831647557 /nfs/dbraw/zinc/64/75/57/831647557.db2.gz AUJHYUGOVDBEIY-OKZBNKHCSA-N 3 0 343.475 -0.165 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CCCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001158380912 831649853 /nfs/dbraw/zinc/64/98/53/831649853.db2.gz WPNDKRXCPYTXSY-CHWSQXEVSA-N 2 0 339.440 -0.636 20 0 EBADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158414820 831652616 /nfs/dbraw/zinc/65/26/16/831652616.db2.gz IITSDXDCSZXTBB-SGMGOOAPSA-N 2 0 332.408 -0.723 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)Nc2nncs2)CC[N@@H+]1C ZINC001158428626 831654965 /nfs/dbraw/zinc/65/49/65/831654965.db2.gz LRKFZNLHHSUQKG-GHMZBOCLSA-N 2 0 340.453 -0.087 20 0 EBADRP CCN(CC)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158486623 831658988 /nfs/dbraw/zinc/65/89/88/831658988.db2.gz PTEROGGKIIYRDN-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP Cn1ccc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1=O ZINC001158486057 831659144 /nfs/dbraw/zinc/65/91/44/831659144.db2.gz DKUAMMHXANNMPL-JKSUJKDBSA-N 2 0 348.447 -0.156 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)NCC1CC1 ZINC001158486883 831659645 /nfs/dbraw/zinc/65/96/45/831659645.db2.gz UGASJHWMMFCYFP-LSDHHAIUSA-N 2 0 338.452 -0.528 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C1=NO[C@@]2(CC[NH2+]C2)C1 ZINC001158496490 831660602 /nfs/dbraw/zinc/66/06/02/831660602.db2.gz OZWBOFGPJCORQH-VFFTVRQLSA-N 2 0 336.392 -0.753 20 0 EBADRP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3CNC(=O)C34CC[NH2+]CC4)C[C@@H]2CF)CC1 ZINC001158569370 831667108 /nfs/dbraw/zinc/66/71/08/831667108.db2.gz YSTXELJDFGMSDS-YNEHKIRRSA-N 2 0 338.427 -0.362 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CN(C)CC(=O)NC(N)=O ZINC001158704719 831680069 /nfs/dbraw/zinc/68/00/69/831680069.db2.gz TYQAKKDQSFCBRO-CYBMUJFWSA-N 2 0 341.456 -0.164 20 0 EBADRP CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001158791663 831686276 /nfs/dbraw/zinc/68/62/76/831686276.db2.gz ZGWRBBBDHNBDMO-NEPJUHHUSA-N 2 0 334.424 -0.821 20 0 EBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC2 ZINC001158890656 831693774 /nfs/dbraw/zinc/69/37/74/831693774.db2.gz JPQLLYVSRPAKOU-ZDUSSCGKSA-N 3 0 325.457 -0.744 20 0 EBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]([NH3+])Cc1cnc[nH]1)CC2 ZINC001158891334 831693875 /nfs/dbraw/zinc/69/38/75/831693875.db2.gz XFZYLLXEGZJXGR-AWEZNQCLSA-N 2 0 348.451 -0.518 20 0 EBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@]13CC[C@@H](N1)[C@H]([NH3+])C3)CC2 ZINC001158891012 831694050 /nfs/dbraw/zinc/69/40/50/831694050.db2.gz SQNOQWYLUMSSDV-LBTNJELSSA-N 2 0 349.479 -0.589 20 0 EBADRP [NH3+]CCNCC(=O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158903041 831695135 /nfs/dbraw/zinc/69/51/35/831695135.db2.gz MBQOATRATDTSLG-BLLLJJGKSA-N 2 0 337.399 -0.377 20 0 EBADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001159134318 831710705 /nfs/dbraw/zinc/71/07/05/831710705.db2.gz MMAXNRKJYFJVFW-CZUORRHYSA-N 3 0 334.468 -0.270 20 0 EBADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001159134363 831711124 /nfs/dbraw/zinc/71/11/24/831711124.db2.gz NBXFXCVUIATPNR-VBQJREDUSA-N 2 0 332.452 -0.645 20 0 EBADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001159134039 831711511 /nfs/dbraw/zinc/71/15/11/831711511.db2.gz MCVKAYUFGMFTCT-UONOGXRCSA-N 3 0 332.452 -0.788 20 0 EBADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159157122 831712494 /nfs/dbraw/zinc/71/24/94/831712494.db2.gz DLDVZUOHYVLAEM-HOCLYGCPSA-N 2 0 333.436 -0.414 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001159334692 831741137 /nfs/dbraw/zinc/74/11/37/831741137.db2.gz FMLPFVFGILZSSJ-ZDUSSCGKSA-N 2 0 339.440 -0.492 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001159355513 831743778 /nfs/dbraw/zinc/74/37/78/831743778.db2.gz FSDUNMHWCMLEEX-STQMWFEESA-N 2 0 341.456 -0.199 20 0 EBADRP CCOC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)Cc2cnn(C)c21 ZINC001159393691 831749000 /nfs/dbraw/zinc/74/90/00/831749000.db2.gz IJRGYJSMOVPHFX-KBPBESRZSA-N 2 0 333.436 -0.309 20 0 EBADRP N[C@@]1(C(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)CC[NH2+]C1 ZINC001159403606 831750425 /nfs/dbraw/zinc/75/04/25/831750425.db2.gz QBTTVDOLFSXZIT-ZJOBFFGXSA-N 2 0 346.435 -0.875 20 0 EBADRP C[C@@H]([NH3+])C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001159608214 831765257 /nfs/dbraw/zinc/76/52/57/831765257.db2.gz GWCQDMSTVDDJJN-CYBMUJFWSA-N 2 0 325.457 -0.970 20 0 EBADRP C[C@H]1CCCN1C(=O)c1n[nH]c2c1CN(C(=O)[C@H]([NH3+])CCC[NH3+])CC2 ZINC001159607989 831765955 /nfs/dbraw/zinc/76/59/55/831765955.db2.gz DTLWZYHMYOMVIU-WCQYABFASA-N 2 0 348.451 -0.015 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC001159641879 831768432 /nfs/dbraw/zinc/76/84/32/831768432.db2.gz CQHCPJZRLAWJEF-CQSZACIVSA-N 2 0 331.424 -0.421 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001159800764 831784241 /nfs/dbraw/zinc/78/42/41/831784241.db2.gz YBURZUUCELGJCR-KGLIPLIRSA-N 2 0 331.424 -0.196 20 0 EBADRP C[NH+](C)C1(C(=O)NCCC[NH2+]C[C@H](O)CN2CCCC2=O)CCC1 ZINC001159853482 831788722 /nfs/dbraw/zinc/78/87/22/831788722.db2.gz FRZDDFQLNHBXHL-AWEZNQCLSA-N 2 0 340.468 -0.450 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)C(N)=O ZINC001159868690 831789712 /nfs/dbraw/zinc/78/97/12/831789712.db2.gz JZFVHWRGGYTNQN-OCCSQVGLSA-N 2 0 326.441 -0.401 20 0 EBADRP CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001159869071 831790927 /nfs/dbraw/zinc/79/09/27/831790927.db2.gz RXVCMUPOWMBTHI-OAHLLOKOSA-N 2 0 340.468 -0.138 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC001159874608 831791418 /nfs/dbraw/zinc/79/14/18/831791418.db2.gz UIVHVMCHDZSCNU-PBHICJAKSA-N 2 0 348.451 -0.259 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159932428 831799076 /nfs/dbraw/zinc/79/90/76/831799076.db2.gz QXQSEZQBTRBHMC-GJZGRUSLSA-N 2 0 331.457 -0.554 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@@H](C2CC2)[NH+](C)C)CCO1 ZINC001159931818 831799603 /nfs/dbraw/zinc/79/96/03/831799603.db2.gz JIBWKSBNRWWAMG-XJKSGUPXSA-N 2 0 340.468 -0.330 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159931599 831799686 /nfs/dbraw/zinc/79/96/86/831799686.db2.gz GJLNLBRJNZBUEC-OAHLLOKOSA-N 2 0 328.457 -0.425 20 0 EBADRP CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CCO2 ZINC001160180249 831822713 /nfs/dbraw/zinc/82/27/13/831822713.db2.gz RTZHEFRQDUGFFO-GOEBONIOSA-N 2 0 326.441 -0.317 20 0 EBADRP CC(=O)NCc1ncn2c1CN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)CCC2 ZINC001160323882 831837624 /nfs/dbraw/zinc/83/76/24/831837624.db2.gz OGLYKAPKACIAGV-ZDUSSCGKSA-N 2 0 346.435 -0.940 20 0 EBADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CCN1CCCS1(=O)=O)[NH+](C)C ZINC001160426605 831847770 /nfs/dbraw/zinc/84/77/70/831847770.db2.gz IGPIQQCGSNVJAD-AWEZNQCLSA-N 2 0 348.513 -0.296 20 0 EBADRP COCCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C1CC[NH+](C)CC1 ZINC001160438920 831850881 /nfs/dbraw/zinc/85/08/81/831850881.db2.gz DEANVMQKMIIKJD-MRXNPFEDSA-N 3 0 341.500 -0.694 20 0 EBADRP [NH3+]C[C@@]1(Nc2ncccc2C(=O)N2CC[NH2+]CC2)CN2CCC1CC2 ZINC001160513227 831860241 /nfs/dbraw/zinc/86/02/41/831860241.db2.gz LQENDQOFDVSXMH-GOSISDBHSA-N 2 0 344.463 -0.038 20 0 EBADRP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001160539439 831860640 /nfs/dbraw/zinc/86/06/40/831860640.db2.gz SUUAAGIHTSFEHK-RYUDHWBXSA-N 2 0 332.408 -0.233 20 0 EBADRP O=C([C@@H]1C[NH2+]C[C@H]1O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160588385 831867757 /nfs/dbraw/zinc/86/77/57/831867757.db2.gz ALWPHZNEVJRIIZ-TZMCWYRMSA-N 2 0 330.388 -0.577 20 0 EBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC001160611806 831871150 /nfs/dbraw/zinc/87/11/50/831871150.db2.gz WIJGEDKVUKIYNF-CABCVRRESA-N 2 0 349.456 -0.130 20 0 EBADRP O=C(N1CCN(C2CCOCC2)C(=O)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160635204 831871782 /nfs/dbraw/zinc/87/17/82/831871782.db2.gz HMFRPAPQZMNFBL-CXAGYDPISA-N 2 0 336.436 -0.965 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)c2cnn3c2nccc3[C@H]2C[NH2+]CCO2)CCO1 ZINC001160645627 831874813 /nfs/dbraw/zinc/87/48/13/831874813.db2.gz RLKIKFILTZMOLE-SMDDNHRTSA-N 2 0 346.391 -0.810 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@]23C(=O)Nc2ccccc23)CCO1 ZINC001160644160 831874921 /nfs/dbraw/zinc/87/49/21/831874921.db2.gz VEEULWRGRICMSL-PPHDSNJXSA-N 2 0 330.388 -0.718 20 0 EBADRP [NH3+][C@H](Cc1cn(C=O)c2ccccc12)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160652802 831876694 /nfs/dbraw/zinc/87/66/94/831876694.db2.gz MDLDLQQLKSIDBH-IIAWOOMASA-N 2 0 330.388 -0.530 20 0 EBADRP [NH3+]CCC[NH2+]CC(=O)N1CC(N2CCN(c3ccccn3)CC2)C1 ZINC001160806091 831889736 /nfs/dbraw/zinc/88/97/36/831889736.db2.gz KDSAGPJWLHXNNC-UHFFFAOYSA-N 2 0 332.452 -0.647 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)[C@H]([NH3+])CCC(=O)OC)C[C@H]1C[NH2+]CC2 ZINC001160812076 831890234 /nfs/dbraw/zinc/89/02/34/831890234.db2.gz ZPZDPCZMYIFNDB-XHBSWPGZSA-N 2 0 341.408 -0.732 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCN(c2ccnc(N3CCCC3)n2)CC1 ZINC001160839552 831893397 /nfs/dbraw/zinc/89/33/97/831893397.db2.gz QJPFJCDZNOZBEP-CQSZACIVSA-N 2 0 347.467 -0.208 20 0 EBADRP Cn1[nH]c(C[NH2+]CCCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)nc1=O ZINC001160868314 831901303 /nfs/dbraw/zinc/90/13/03/831901303.db2.gz LUCKUVDYVFQVSU-OLZOCXBDSA-N 2 0 336.440 -0.279 20 0 EBADRP CC[C@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001160889321 831903750 /nfs/dbraw/zinc/90/37/50/831903750.db2.gz IFFUHIYUJLHWBV-DGCLKSJQSA-N 2 0 341.456 -0.201 20 0 EBADRP CC[C@@H]([NH2+]CCCNC(=O)C(C)(C)C[NH+]1CCOCC1)C(N)=O ZINC001160951673 831909299 /nfs/dbraw/zinc/90/92/99/831909299.db2.gz NMODBSZPCLCMNT-CYBMUJFWSA-N 2 0 328.457 -0.295 20 0 EBADRP O=C([C@@H]1CCCN([C@H]2CC[NH2+]C2)C1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001160999542 831913278 /nfs/dbraw/zinc/91/32/78/831913278.db2.gz HGCRYZKZFVGZFU-OWCLPIDISA-N 2 0 336.480 -0.224 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161053252 831918188 /nfs/dbraw/zinc/91/81/88/831918188.db2.gz SDXYLFQXWWLTDO-CQSZACIVSA-N 2 0 348.513 -0.152 20 0 EBADRP CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)[C@H]1CCCC[C@H]1[NH3+] ZINC001161065240 831919079 /nfs/dbraw/zinc/91/90/79/831919079.db2.gz VWRKTJNVBZUJJY-AGIUHOORSA-N 2 0 328.457 -0.027 20 0 EBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001161158665 831933820 /nfs/dbraw/zinc/93/38/20/831933820.db2.gz ZQHUTJWMZVYBCM-CYBMUJFWSA-N 2 0 327.425 -0.114 20 0 EBADRP C[C@@H](O)[C@H]([NH3+])C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196780 831936164 /nfs/dbraw/zinc/93/61/64/831936164.db2.gz RIZQPIPIMYJXIK-ZBFHGGJFSA-N 2 0 342.484 -0.755 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCCN(c2cccnc2)CC1 ZINC001161239884 831940684 /nfs/dbraw/zinc/94/06/84/831940684.db2.gz STGFBJQHPQTIHI-QGZVFWFLSA-N 2 0 346.479 -0.129 20 0 EBADRP CC(C)(C)CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C1CC[NH2+]CC1 ZINC001161258658 831941374 /nfs/dbraw/zinc/94/13/74/831941374.db2.gz NYKYKTJUPZIRSI-UHFFFAOYSA-N 2 0 348.513 -0.167 20 0 EBADRP COc1cnc(O[C@H]2CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2)nc1 ZINC001161298176 831945094 /nfs/dbraw/zinc/94/50/94/831945094.db2.gz HWIZZFIBYJMBSP-JQWIXIFHSA-N 2 0 341.437 -0.516 20 0 EBADRP COc1cc(C)nc(N(C(=O)[C@H]2[NH2+]CC[C@H]2O)C2CC[NH2+]CC2)n1 ZINC001161308418 831946111 /nfs/dbraw/zinc/94/61/11/831946111.db2.gz BZQHZKBEMMVXGG-OCCSQVGLSA-N 2 0 335.408 -0.399 20 0 EBADRP COc1cc(C)nc(N(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)C2CC[NH2+]CC2)n1 ZINC001161308436 831946415 /nfs/dbraw/zinc/94/64/15/831946415.db2.gz CNVNNMSORWFVOE-YPMHNXCESA-N 2 0 334.424 -0.432 20 0 EBADRP Cc1c[nH+]ccc1N1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001161310156 831947211 /nfs/dbraw/zinc/94/72/11/831947211.db2.gz ZBSDHMSXYABLDK-MRXNPFEDSA-N 3 0 346.479 -0.211 20 0 EBADRP Cc1cc(O[C@@H]2CCCN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C2)ncn1 ZINC001161310065 831947267 /nfs/dbraw/zinc/94/72/67/831947267.db2.gz XLEYQNILSRPHRR-ZIAGYGMSSA-N 2 0 331.420 -0.036 20 0 EBADRP COc1cc(C)nc(N(C(=O)C2(N)CC[NH2+]CC2)C2CC[NH2+]CC2)n1 ZINC001161310138 831947560 /nfs/dbraw/zinc/94/75/60/831947560.db2.gz YUTNGVSQWUGYDX-UHFFFAOYSA-N 2 0 348.451 -0.040 20 0 EBADRP CCN(C(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC001161328658 831949095 /nfs/dbraw/zinc/94/90/95/831949095.db2.gz FFKLCSFIIKHGDO-CHWSQXEVSA-N 2 0 333.440 -0.475 20 0 EBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161380831 831951357 /nfs/dbraw/zinc/95/13/57/831951357.db2.gz VVBNSWTYEQODSU-NOLJZWGESA-N 2 0 339.484 -0.500 20 0 EBADRP [NH3+]C1CCN([C@H]2CCN(C(=O)c3cnc4n3CC[NH2+]CC4)C2)CC1 ZINC001161382511 831952314 /nfs/dbraw/zinc/95/23/14/831952314.db2.gz ZTQVGXXEHXPZRD-AWEZNQCLSA-N 2 0 332.452 -0.334 20 0 EBADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161448347 831958908 /nfs/dbraw/zinc/95/89/08/831958908.db2.gz BRSJLDYCPNSDOO-SOUVJXGZSA-N 3 0 326.441 -0.720 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C1=NO[C@@]3(CC[NH2+]C3)C1)CC2 ZINC001161476500 831962373 /nfs/dbraw/zinc/96/23/73/831962373.db2.gz CRAQJBZBRVPEIR-KCXAZCMYSA-N 2 0 336.392 -0.752 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])C1CCOCC1)CC2 ZINC001161476565 831962554 /nfs/dbraw/zinc/96/25/54/831962554.db2.gz DNQHOCFQQXHASV-HEHGZKQESA-N 2 0 325.409 -0.506 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)COC1CC[NH2+]CC1)CC2 ZINC001161479188 831963424 /nfs/dbraw/zinc/96/34/24/831963424.db2.gz OYXHPXMDOGQHFO-BBRMVZONSA-N 2 0 325.409 -0.491 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)CN(C)[C@H]1CCC[NH2+]C1)CC2 ZINC001161480644 831964209 /nfs/dbraw/zinc/96/42/09/831964209.db2.gz PVMHJPOOJMPNDW-VBQJREDUSA-N 2 0 338.452 -0.576 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)c1cnc3n1CC[NH2+]CC3)CC2 ZINC001161483135 831964382 /nfs/dbraw/zinc/96/43/82/831964382.db2.gz KTDJMRHEVWNVND-CXAGYDPISA-N 2 0 347.419 -0.604 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])C1CCC(O)CC1)CC2 ZINC001161481960 831964586 /nfs/dbraw/zinc/96/45/86/831964586.db2.gz UPXGAVNBKDYVCR-WTAAUETQSA-N 2 0 339.436 -0.382 20 0 EBADRP CO[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)C[C@@H]1[NH3+] ZINC001161494124 831966037 /nfs/dbraw/zinc/96/60/37/831966037.db2.gz YDJHZZWJVFLTMD-LPEHRKFASA-N 2 0 340.346 -0.653 20 0 EBADRP CO[C@@H]1CN(C(=O)c2ccc(C(=O)NC3CC[NH2+]CC3)cc2)C[C@@H]1[NH3+] ZINC001161493850 831966057 /nfs/dbraw/zinc/96/60/57/831966057.db2.gz SVMFKAKMOKVNAI-JKSUJKDBSA-N 2 0 346.431 -0.034 20 0 EBADRP CO[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@]23c2ccccc2NC3=O)C[C@@H]1[NH3+] ZINC001161492640 831966093 /nfs/dbraw/zinc/96/60/93/831966093.db2.gz SQBTWFLDHICKRQ-DIGLBZAJSA-N 2 0 330.388 -0.720 20 0 EBADRP CO[C@@H]1CN(C(=O)[C@H]2C[NH2+]C[C@]23c2ccccc2NC3=O)C[C@@H]1[NH3+] ZINC001161492642 831966135 /nfs/dbraw/zinc/96/61/35/831966135.db2.gz SQBTWFLDHICKRQ-GNNTXSLPSA-N 2 0 330.388 -0.720 20 0 EBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC([N@H+](C)[C@H]2CCOC2)C1 ZINC001161500602 831966515 /nfs/dbraw/zinc/96/65/15/831966515.db2.gz RNBOTGRLBSDCTA-HUBLWGQQSA-N 2 0 326.441 -0.593 20 0 EBADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001161519008 831968453 /nfs/dbraw/zinc/96/84/53/831968453.db2.gz XIUCOQWZSJULRH-UHFFFAOYSA-N 2 0 341.456 -0.070 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001161649692 831980512 /nfs/dbraw/zinc/98/05/12/831980512.db2.gz SATJMVBIYKFYND-ZDUSSCGKSA-N 2 0 338.456 -0.175 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC1=CC[N@@H+]([C@H]2CCNC2=O)CC1 ZINC001161698925 831983486 /nfs/dbraw/zinc/98/34/86/831983486.db2.gz GIQGLKZQPCSISB-HNNXBMFYSA-N 2 0 338.452 -0.409 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161795654 831992443 /nfs/dbraw/zinc/99/24/43/831992443.db2.gz NZNFLCMXCWYMRB-GFCCVEGCSA-N 2 0 339.440 -0.445 20 0 EBADRP CCOC(=O)c1c(C[NH3+])ncn1-c1nccnc1N1CC[NH2+]CC1 ZINC001162531632 832050986 /nfs/dbraw/zinc/05/09/86/832050986.db2.gz WJSCMUCFMKKDPQ-UHFFFAOYSA-N 2 0 331.380 -0.293 20 0 EBADRP COCC1(CNC(=O)COCC[NH+](C)C)CC[NH+](C[C@@H](C)O)CC1 ZINC001162576380 832053503 /nfs/dbraw/zinc/05/35/03/832053503.db2.gz FZPYMYSRCGYYCJ-OAHLLOKOSA-N 2 0 345.484 -0.210 20 0 EBADRP COCC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001162604557 832056271 /nfs/dbraw/zinc/05/62/71/832056271.db2.gz XLGPBXNDWKTZLO-ZIAGYGMSSA-N 2 0 340.468 -0.343 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001162617494 832056698 /nfs/dbraw/zinc/05/66/98/832056698.db2.gz JOOLVDABFZZUDD-UHFFFAOYSA-N 2 0 332.364 -0.501 20 0 EBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872375 832068714 /nfs/dbraw/zinc/06/87/14/832068714.db2.gz PYEWEFSLMVVTGB-UUCFBXCCSA-N 2 0 338.452 -0.530 20 0 EBADRP C[C@H]1CN(c2ccc(NCc3nnn4c3C[NH2+]CCC4)nn2)CC[NH2+]1 ZINC001162972941 832073435 /nfs/dbraw/zinc/07/34/35/832073435.db2.gz MITYHOBIZTWUMG-LBPRGKRZSA-N 2 0 343.439 -0.028 20 0 EBADRP C[NH+](C)C1(CC(=O)NCCC[NH2+]CC(=O)NC(N)=O)CCCC1 ZINC001163290849 832098452 /nfs/dbraw/zinc/09/84/52/832098452.db2.gz RZWDUECDTDMZFY-UHFFFAOYSA-N 2 0 327.429 -0.458 20 0 EBADRP CN1CC[NH+](C2CCN(C(=O)NCCOCCC[NH3+])CC2)CC1 ZINC001350217164 832133082 /nfs/dbraw/zinc/13/30/82/832133082.db2.gz BTDHRSHIGDWSNJ-UHFFFAOYSA-N 2 0 327.473 -0.227 20 0 EBADRP C[C@H]([NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(=O)NC(N)=O ZINC001163822321 832142122 /nfs/dbraw/zinc/14/21/22/832142122.db2.gz ZAMUZCDTUAHLOC-RYUDHWBXSA-N 2 0 339.440 -0.460 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001163821316 832142458 /nfs/dbraw/zinc/14/24/58/832142458.db2.gz MRATZSNCDMWBFJ-OLZOCXBDSA-N 2 0 336.436 -0.238 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CCNS(C)(=O)=O)CC1 ZINC001163821763 832142591 /nfs/dbraw/zinc/14/25/91/832142591.db2.gz PCAYOQSSCWIORZ-CYBMUJFWSA-N 2 0 346.497 -0.494 20 0 EBADRP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001350340973 832156545 /nfs/dbraw/zinc/15/65/45/832156545.db2.gz GAUGWJRQUNBTML-HIFRSBDPSA-N 2 0 338.452 -0.528 20 0 EBADRP Cc1cnc(N2CCC(C[NH3+])CC2)nc1N(C)S(=O)(=O)CC[NH3+] ZINC001164287744 832180874 /nfs/dbraw/zinc/18/08/74/832180874.db2.gz VJWSRAAKIKTIJY-UHFFFAOYSA-N 2 0 342.469 -0.315 20 0 EBADRP c1nc2c(n1-c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)C[NH2+]CC2 ZINC001164317066 832183886 /nfs/dbraw/zinc/18/38/86/832183886.db2.gz VYDNFOTWUUIMMS-UHFFFAOYSA-N 2 0 327.392 -0.252 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCCS(C)(=O)=O)C1 ZINC001164536546 832195669 /nfs/dbraw/zinc/19/56/69/832195669.db2.gz UVHHEMNWVCFUMG-CQSZACIVSA-N 2 0 349.497 -0.374 20 0 EBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001164538455 832196093 /nfs/dbraw/zinc/19/60/93/832196093.db2.gz HSLIMMYJTJFTLQ-AWEZNQCLSA-N 2 0 328.457 -0.284 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCS(C)(=O)=O)C1 ZINC001164538671 832196118 /nfs/dbraw/zinc/19/61/18/832196118.db2.gz LKBLPKZGUIMFHH-CYBMUJFWSA-N 2 0 335.470 -0.764 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O)CC[N@@H+]1C ZINC001164574481 832198786 /nfs/dbraw/zinc/19/87/86/832198786.db2.gz NTGNGVDHWITUQB-KBPBESRZSA-N 2 0 348.513 -0.296 20 0 EBADRP COCCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001164574164 832198797 /nfs/dbraw/zinc/19/87/97/832198797.db2.gz ABSCTEMSERPZEH-GJZGRUSLSA-N 2 0 342.484 -0.035 20 0 EBADRP C[NH+](C)Cc1ccoc1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001165245678 832207568 /nfs/dbraw/zinc/20/75/68/832207568.db2.gz BDBBHYLKAYRWJY-UHFFFAOYSA-N 2 0 325.369 -0.754 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165254058 832208469 /nfs/dbraw/zinc/20/84/69/832208469.db2.gz MKMQIGPLHWTFPE-GFCCVEGCSA-N 2 0 341.456 -0.342 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165262085 832209620 /nfs/dbraw/zinc/20/96/20/832209620.db2.gz FCOZAYOUYMIOND-UHFFFAOYSA-N 2 0 334.486 -0.637 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1)C1CC1 ZINC001165485579 832223572 /nfs/dbraw/zinc/22/35/72/832223572.db2.gz ZKAVUUGWFWFIBB-CYBMUJFWSA-N 2 0 339.440 -0.602 20 0 EBADRP CC(C)[C@@H](C(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1)[NH+](C)C ZINC001165617965 832229594 /nfs/dbraw/zinc/22/95/94/832229594.db2.gz SQRQCZUAGCBAPK-ZDUSSCGKSA-N 2 0 341.456 -0.356 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165771813 832236959 /nfs/dbraw/zinc/23/69/59/832236959.db2.gz ARWDGIYLHOIJFP-LBPRGKRZSA-N 2 0 341.456 -0.342 20 0 EBADRP CCOCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165788311 832237309 /nfs/dbraw/zinc/23/73/09/832237309.db2.gz DVDFLDIHLUMPEY-CQSZACIVSA-N 2 0 330.473 -0.035 20 0 EBADRP CC(C)OCCCNC(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165788568 832238161 /nfs/dbraw/zinc/23/81/61/832238161.db2.gz QYABLQXKWNOURE-UHFFFAOYSA-N 2 0 330.473 -0.035 20 0 EBADRP CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1)[NH+](C)C ZINC001166004275 832245856 /nfs/dbraw/zinc/24/58/56/832245856.db2.gz IKCOKSBPKXYRRX-GOEBONIOSA-N 2 0 342.484 -0.036 20 0 EBADRP CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCO[C@@H](C)C1)[NH+](C)C ZINC001166010171 832246274 /nfs/dbraw/zinc/24/62/74/832246274.db2.gz JNHJYZCCIFIJNE-GOEBONIOSA-N 2 0 342.484 -0.084 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001166626373 832275360 /nfs/dbraw/zinc/27/53/60/832275360.db2.gz FAGZPBFOBPHUBV-ZDUSSCGKSA-N 2 0 334.486 -0.494 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]Cc1nnc2n1CCOC2 ZINC001166634157 832276190 /nfs/dbraw/zinc/27/61/90/832276190.db2.gz PRHVSQMYLKWJFX-ZDUSSCGKSA-N 2 0 336.440 -0.112 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166668195 832277232 /nfs/dbraw/zinc/27/72/32/832277232.db2.gz UVFSEWGBXVURQG-QWHCGFSZSA-N 2 0 341.456 -0.342 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166668196 832277987 /nfs/dbraw/zinc/27/79/87/832277987.db2.gz UVFSEWGBXVURQG-STQMWFEESA-N 2 0 341.456 -0.342 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001166676905 832279093 /nfs/dbraw/zinc/27/90/93/832279093.db2.gz DTRSIHFSWLMJSG-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166678145 832280115 /nfs/dbraw/zinc/28/01/15/832280115.db2.gz TZXWGOUIBXJUHA-NEPJUHHUSA-N 2 0 327.429 -0.732 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001166714503 832282967 /nfs/dbraw/zinc/28/29/67/832282967.db2.gz LHJFFRUTYOQHEZ-KBPBESRZSA-N 2 0 346.497 -0.685 20 0 EBADRP C[N@H+](CC(=O)NCCC[NH2+]CC(=O)N1CCOCC1)CC(C)(C)C ZINC001166744209 832286952 /nfs/dbraw/zinc/28/69/52/832286952.db2.gz MAPLYXWGGFUPCO-UHFFFAOYSA-N 2 0 342.484 -0.081 20 0 EBADRP C[C@H](COCC(=O)NCCC[NH2+]CCOCCO)[NH+]1CCCC1 ZINC001166931880 832300305 /nfs/dbraw/zinc/30/03/05/832300305.db2.gz YLOFNUJWDIGNFS-OAHLLOKOSA-N 2 0 331.457 -0.408 20 0 EBADRP CCNC(=O)C[NH2+]CCCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001166930737 832300703 /nfs/dbraw/zinc/30/07/03/832300703.db2.gz MQZJRQLMYCHOOS-AWEZNQCLSA-N 2 0 328.457 -0.281 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001167225435 832318273 /nfs/dbraw/zinc/31/82/73/832318273.db2.gz VLSXXKCMQYZMQM-LBPRGKRZSA-N 2 0 339.440 -0.458 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167655522 832361095 /nfs/dbraw/zinc/36/10/95/832361095.db2.gz SKTOSKNFPWPLSK-UHFFFAOYSA-N 2 0 342.484 -0.033 20 0 EBADRP COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)cnc1-n1nnc(CC[NH3+])n1 ZINC001167791936 832374845 /nfs/dbraw/zinc/37/48/45/832374845.db2.gz XWGKXZABUHWCBW-NEPJUHHUSA-N 2 0 331.380 -0.657 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168029519 832388263 /nfs/dbraw/zinc/38/82/63/832388263.db2.gz HANGKRKYOLPTCN-STQMWFEESA-N 2 0 339.440 -0.445 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC2(C[NH2+][C@H]3CCC(=O)NC3=O)CC2)C1 ZINC001168138581 832399591 /nfs/dbraw/zinc/39/95/91/832399591.db2.gz SSNZFEZITKJMOP-STQMWFEESA-N 2 0 336.436 -0.381 20 0 EBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC001353279415 832419379 /nfs/dbraw/zinc/41/93/79/832419379.db2.gz XBFQDUQJUPWIIA-REWJHTLYSA-N 2 0 340.468 -0.062 20 0 EBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC001353335448 832422778 /nfs/dbraw/zinc/42/27/78/832422778.db2.gz NEZXABVMOQTHKN-VXGBXAGGSA-N 2 0 332.395 -0.243 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001168762509 832434559 /nfs/dbraw/zinc/43/45/59/832434559.db2.gz DPYJVJZNFSMTTO-GFCCVEGCSA-N 2 0 341.456 -0.199 20 0 EBADRP [NH3+]Cc1nnnn1-c1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1 ZINC001168924469 832440904 /nfs/dbraw/zinc/44/09/04/832440904.db2.gz YRGDFJZMDRBYLQ-UHFFFAOYSA-N 2 0 337.409 -0.849 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001169127886 832450078 /nfs/dbraw/zinc/45/00/78/832450078.db2.gz WQPMKEYGHAUPHC-INIZCTEOSA-N 2 0 345.484 -0.162 20 0 EBADRP COc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n(C)n1 ZINC001354042482 832458755 /nfs/dbraw/zinc/45/87/55/832458755.db2.gz QPYCSTFPEHBDBT-UHFFFAOYSA-N 2 0 340.428 -0.681 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CC(=O)NC1CCOCC1 ZINC001170212464 832492731 /nfs/dbraw/zinc/49/27/31/832492731.db2.gz ZUSKBNAGEVMPNE-UHFFFAOYSA-N 2 0 328.457 -0.281 20 0 EBADRP Cn1c(C[NH2+]CCCNC(=O)COCC[NH+](C)C)nnc1C1CC1 ZINC001171198594 832550579 /nfs/dbraw/zinc/55/05/79/832550579.db2.gz QCZRHKUGPFOXJX-UHFFFAOYSA-N 2 0 338.456 -0.133 20 0 EBADRP CCCCn1nnnc1C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171204973 832550596 /nfs/dbraw/zinc/55/05/96/832550596.db2.gz JTGBSMSYBMHQLA-UHFFFAOYSA-N 2 0 341.460 -0.353 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CC(=O)NCC1CCC1 ZINC001171199109 832550696 /nfs/dbraw/zinc/55/06/96/832550696.db2.gz WNUMIMYPWXAVGV-UHFFFAOYSA-N 2 0 328.457 -0.423 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)COCC[NH+](C)C)c1nnnn1C1CC1 ZINC001171205103 832550702 /nfs/dbraw/zinc/55/07/02/832550702.db2.gz LVMXRBIZECNCJI-GFCCVEGCSA-N 2 0 339.444 -0.257 20 0 EBADRP CCC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171215329 832551464 /nfs/dbraw/zinc/55/14/64/832551464.db2.gz AAHWQLLOBMBGRE-CQSZACIVSA-N 2 0 330.473 -0.035 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001171216847 832551525 /nfs/dbraw/zinc/55/15/25/832551525.db2.gz JHHHPFKUKNSMQP-OAHLLOKOSA-N 2 0 331.457 -0.144 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CCOC[C@@H]1CCCO1 ZINC001171216377 832551732 /nfs/dbraw/zinc/55/17/32/832551732.db2.gz HKXSSAHQUWCHDQ-HNNXBMFYSA-N 2 0 331.457 -0.144 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CCCN1CCCC1=O ZINC001171217896 832552459 /nfs/dbraw/zinc/55/24/59/832552459.db2.gz OYOYUJLBWKBLHU-UHFFFAOYSA-N 2 0 328.457 -0.327 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001171227607 832552513 /nfs/dbraw/zinc/55/25/13/832552513.db2.gz QGJJHTWIMKYYBU-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171246523 832553654 /nfs/dbraw/zinc/55/36/54/832553654.db2.gz FNXAEXOPYAYOFQ-BXUZGUMPSA-N 2 0 341.456 -0.214 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171303419 832555728 /nfs/dbraw/zinc/55/57/28/832555728.db2.gz JTUNXZKCTIAKOJ-GFCCVEGCSA-N 2 0 339.440 -0.588 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171303659 832555781 /nfs/dbraw/zinc/55/57/81/832555781.db2.gz VJVJYJHVCABUTC-CQSZACIVSA-N 2 0 340.468 -0.281 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171575139 832565262 /nfs/dbraw/zinc/56/52/62/832565262.db2.gz ARTGWJFIDSRREX-UHFFFAOYSA-N 2 0 330.473 -0.033 20 0 EBADRP C[NH+](C)CCCCC(=O)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001171579600 832566180 /nfs/dbraw/zinc/56/61/80/832566180.db2.gz YGWXNLJXKFOMLZ-UHFFFAOYSA-N 2 0 348.513 -0.150 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001171770690 832575633 /nfs/dbraw/zinc/57/56/33/832575633.db2.gz XSYNLSBFPVQVRF-HOTGVXAUSA-N 2 0 345.484 -0.019 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001171770655 832575845 /nfs/dbraw/zinc/57/58/45/832575845.db2.gz WOFIHAXTAGLITK-AWEZNQCLSA-N 2 0 328.457 -0.423 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001171770691 832575884 /nfs/dbraw/zinc/57/58/84/832575884.db2.gz XSYNLSBFPVQVRF-HZPDHXFCSA-N 2 0 345.484 -0.019 20 0 EBADRP C[C@@H]1O[C@@H](OCC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](O)[C@H](O)[C@@H]1O ZINC001172109301 832579465 /nfs/dbraw/zinc/57/94/65/832579465.db2.gz CFHYXOQPLZOIBI-OCTPOKOXSA-N 2 0 344.452 -0.565 20 0 EBADRP C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001175042137 832613923 /nfs/dbraw/zinc/61/39/23/832613923.db2.gz TYFKMYQXRWMLGF-LBPRGKRZSA-N 2 0 341.456 -0.212 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001176057825 832654867 /nfs/dbraw/zinc/65/48/67/832654867.db2.gz SWRZLHGRQRDYAA-AWEZNQCLSA-N 2 0 331.482 -0.141 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001176072363 832655848 /nfs/dbraw/zinc/65/58/48/832655848.db2.gz QTYVJJJVBYIEPT-KGLIPLIRSA-N 2 0 326.441 -0.671 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)C[NH+]1CCCC1)NCc1cccnc1 ZINC001176095498 832656687 /nfs/dbraw/zinc/65/66/87/832656687.db2.gz DABCRWUFHDKJMA-UHFFFAOYSA-N 2 0 333.436 -0.111 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(=O)NC1CC1 ZINC001176096681 832657420 /nfs/dbraw/zinc/65/74/20/832657420.db2.gz WQLNSJINOXQMJC-NWDGAFQWSA-N 2 0 339.440 -0.589 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O ZINC001176162098 832661056 /nfs/dbraw/zinc/66/10/56/832661056.db2.gz TXFATAPZTUHGFI-ZIAGYGMSSA-N 2 0 326.441 -0.719 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)CCC[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001176328320 832666805 /nfs/dbraw/zinc/66/68/05/832666805.db2.gz SFHGOMFAZLPIAF-CYBMUJFWSA-N 2 0 341.456 -0.068 20 0 EBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H](Cc1c[nH]cn1)NC(C)=O ZINC001176400533 832672660 /nfs/dbraw/zinc/67/26/60/832672660.db2.gz XPZJJMDBOPIERU-CYBMUJFWSA-N 2 0 337.428 -0.479 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001176856037 832696284 /nfs/dbraw/zinc/69/62/84/832696284.db2.gz GYFYQTYBNWKFPF-BETUJISGSA-N 2 0 339.440 -0.493 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)CCC[NH+]1CCCC1 ZINC001176884285 832700528 /nfs/dbraw/zinc/70/05/28/832700528.db2.gz ABEMXQNWCAHFEX-INIZCTEOSA-N 2 0 345.484 -0.018 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176972304 832722409 /nfs/dbraw/zinc/72/24/09/832722409.db2.gz VSMHDONXIMSGHZ-UHFFFAOYSA-N 2 0 336.502 -0.248 20 0 EBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CN1CCN(c2ncccn2)CC1 ZINC001176984631 832725736 /nfs/dbraw/zinc/72/57/36/832725736.db2.gz JVPWPKCURAHBMQ-UHFFFAOYSA-N 2 0 334.428 -0.940 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001176992767 832727896 /nfs/dbraw/zinc/72/78/96/832727896.db2.gz ZRDOPJLBAUQSKZ-NWDGAFQWSA-N 2 0 327.429 -0.460 20 0 EBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC001178769790 832912406 /nfs/dbraw/zinc/91/24/06/832912406.db2.gz NVIOKKGUACUANX-UHFFFAOYSA-N 2 0 347.485 -0.278 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001178902605 832928528 /nfs/dbraw/zinc/92/85/28/832928528.db2.gz YQQNSXXJMJIRNO-JQWIXIFHSA-N 2 0 325.413 -0.755 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)[C@@H]1C)[NH+](C)C ZINC001178990227 832937737 /nfs/dbraw/zinc/93/77/37/832937737.db2.gz NWRPLEMVHSDCFW-SDDRHHMPSA-N 2 0 327.429 -0.639 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1C)[NH+](C)C ZINC001179554054 832988347 /nfs/dbraw/zinc/98/83/47/832988347.db2.gz NHZFKVAOZISFCN-AVGNSLFASA-N 2 0 334.486 -0.545 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001187106319 833900819 /nfs/dbraw/zinc/90/08/19/833900819.db2.gz DWSPDPTTXXFGMF-GFCCVEGCSA-N 2 0 339.396 -0.618 20 0 EBADRP CC(C)COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187106910 833901185 /nfs/dbraw/zinc/90/11/85/833901185.db2.gz QNQDJCHGXBRCFP-CVEARBPZSA-N 2 0 345.484 -0.211 20 0 EBADRP CN(CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001187106918 833901721 /nfs/dbraw/zinc/90/17/21/833901721.db2.gz QRWISKKDULXISE-UONOGXRCSA-N 2 0 346.497 -0.590 20 0 EBADRP CC[C@@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115533 833902763 /nfs/dbraw/zinc/90/27/63/833902763.db2.gz KYSKTWSUBBMMIO-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP CS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187122223 833904016 /nfs/dbraw/zinc/90/40/16/833904016.db2.gz RAJYTWIKNKAZHC-CYBMUJFWSA-N 2 0 329.466 -0.293 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NCC)C1 ZINC001187284291 833915338 /nfs/dbraw/zinc/91/53/38/833915338.db2.gz NVNDDUQAOHOQOV-QWHCGFSZSA-N 2 0 341.456 -0.247 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001187298702 833917056 /nfs/dbraw/zinc/91/70/56/833917056.db2.gz LGUOTXKMTNVJLZ-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001187322642 833919766 /nfs/dbraw/zinc/91/97/66/833919766.db2.gz PTSFCYIZZZKNIT-GFCCVEGCSA-N 2 0 325.413 -0.930 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187825457 833971170 /nfs/dbraw/zinc/97/11/70/833971170.db2.gz MCPHKKKQOTWGOV-UONOGXRCSA-N 2 0 346.497 -0.590 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(=O)NC3CC3)C2)C1 ZINC001187825228 833971414 /nfs/dbraw/zinc/97/14/14/833971414.db2.gz GUBRBPJCBDRNDU-DGCLKSJQSA-N 2 0 337.424 -0.883 20 0 EBADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187825520 833972158 /nfs/dbraw/zinc/97/21/58/833972158.db2.gz ONODAOAEBZFLIB-ZIAGYGMSSA-N 2 0 325.457 -0.164 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)C(=O)NC(N)=O ZINC001188083584 833999641 /nfs/dbraw/zinc/99/96/41/833999641.db2.gz CNCYGSGCCUPADG-QWHCGFSZSA-N 2 0 339.440 -0.364 20 0 EBADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189054322 834118688 /nfs/dbraw/zinc/11/86/88/834118688.db2.gz CSFFOALIKZSLLN-ARFHVFGLSA-N 2 0 343.468 -0.505 20 0 EBADRP CCCNC(=O)CN1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801796 834193029 /nfs/dbraw/zinc/19/30/29/834193029.db2.gz NKJAORJWZUPPBC-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446894 837775725 /nfs/dbraw/zinc/77/57/25/837775725.db2.gz YLOUYXKJAMFSQX-RBSFLKMASA-N 2 0 345.484 -0.213 20 0 EBADRP COCCOC[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192171859 834620888 /nfs/dbraw/zinc/62/08/88/834620888.db2.gz XETBXYYPDVRTJM-GJZGRUSLSA-N 2 0 331.457 -0.505 20 0 EBADRP COCCOC[C@H](O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC001192253105 834631590 /nfs/dbraw/zinc/63/15/90/834631590.db2.gz PMUBEUOBPXQECI-BRWVUGGUSA-N 2 0 329.485 -0.032 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@H]1O ZINC001193892536 834963356 /nfs/dbraw/zinc/96/33/56/834963356.db2.gz RIVXWCZLLJWBQQ-BZUAXINKSA-N 2 0 335.452 -0.081 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001194102718 835023347 /nfs/dbraw/zinc/02/33/47/835023347.db2.gz NJOTWCKBNRXRQF-HUUCEWRRSA-N 2 0 325.453 -0.084 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)[C@H](C)C(=O)NC(N)=O)C1 ZINC001194294771 835074904 /nfs/dbraw/zinc/07/49/04/835074904.db2.gz MWDWVEWDJVSDAT-VXGBXAGGSA-N 2 0 327.429 -0.557 20 0 EBADRP Cn1ccnc1CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001194908527 835161336 /nfs/dbraw/zinc/16/13/36/835161336.db2.gz DEGUKTAUWRGLOP-RBSFLKMASA-N 2 0 336.436 -0.059 20 0 EBADRP Cn1ccnc1CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001194908529 835162201 /nfs/dbraw/zinc/16/22/01/835162201.db2.gz DEGUKTAUWRGLOP-RRFJBIMHSA-N 2 0 336.436 -0.059 20 0 EBADRP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)cn1 ZINC001195676343 835270530 /nfs/dbraw/zinc/27/05/30/835270530.db2.gz CEFMXUCXSOOIIP-HZPDHXFCSA-N 2 0 349.479 -0.051 20 0 EBADRP CCN(CC)C(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708607 835276423 /nfs/dbraw/zinc/27/64/23/835276423.db2.gz PPHOSKAMSQAWJF-RBSFLKMASA-N 2 0 342.484 -0.254 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001195859115 835300517 /nfs/dbraw/zinc/30/05/17/835300517.db2.gz FKBPLBWBEMCJNR-MGPQQGTHSA-N 2 0 326.441 -0.984 20 0 EBADRP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196251595 835379784 /nfs/dbraw/zinc/37/97/84/835379784.db2.gz LKYXQJWXNWENLY-RBSFLKMASA-N 2 0 329.441 -0.705 20 0 EBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1nc(Br)c[nH]c1=O ZINC001196504288 835424998 /nfs/dbraw/zinc/42/49/98/835424998.db2.gz MMJWTLHLKCCPSM-UHFFFAOYSA-N 2 0 331.174 -0.393 20 0 EBADRP CCCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197048452 835498595 /nfs/dbraw/zinc/49/85/95/835498595.db2.gz BJZQXHXEQAJQJD-MGPQQGTHSA-N 2 0 328.457 -0.596 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@H]1O ZINC001197493127 835563358 /nfs/dbraw/zinc/56/33/58/835563358.db2.gz FGQIWBYKTCOLBT-HUUCEWRRSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC[N@H+](C[C@H](O)COCCOC)CC1 ZINC001197511046 835567954 /nfs/dbraw/zinc/56/79/54/835567954.db2.gz FWSORIOTNUBKNE-INIZCTEOSA-N 2 0 345.484 -0.114 20 0 EBADRP CCNC(=O)NC(=O)CN1CCCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001197707938 835599845 /nfs/dbraw/zinc/59/98/45/835599845.db2.gz SCFUZWSMXKSMKT-UHFFFAOYSA-N 2 0 341.456 -0.292 20 0 EBADRP CC(C)CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197792634 835608717 /nfs/dbraw/zinc/60/87/17/835608717.db2.gz OZPYXPICFCNFBL-HZPDHXFCSA-N 2 0 345.484 -0.211 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCO[C@H]2CCOC2)C[C@H]1O ZINC001198046836 835633832 /nfs/dbraw/zinc/63/38/32/835633832.db2.gz GMVKCLURSZFBKA-ARFHVFGLSA-N 2 0 343.468 -0.315 20 0 EBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cnc(=O)n(C2CCOCC2)c1 ZINC001198899388 835738979 /nfs/dbraw/zinc/73/89/79/835738979.db2.gz LDBBPPYZUXBYBM-UHFFFAOYSA-N 2 0 336.396 -0.331 20 0 EBADRP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199071580 835760098 /nfs/dbraw/zinc/76/00/98/835760098.db2.gz ZWOAARXUXPNSAE-HZPDHXFCSA-N 2 0 343.468 -0.313 20 0 EBADRP COCCCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001199788096 835861344 /nfs/dbraw/zinc/86/13/44/835861344.db2.gz LKJIMBKVVKPSHU-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCCO1 ZINC001200529512 835980686 /nfs/dbraw/zinc/98/06/86/835980686.db2.gz WGCLBJXKNNUICD-GJZGRUSLSA-N 2 0 338.452 -0.719 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1 ZINC001200705227 836019686 /nfs/dbraw/zinc/01/96/86/836019686.db2.gz VSPAISILRRELIK-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001200865471 836051375 /nfs/dbraw/zinc/05/13/75/836051375.db2.gz JCLNMFOBNMFCTQ-LSDHHAIUSA-N 2 0 340.468 -0.201 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CCCO1 ZINC001200893269 836062266 /nfs/dbraw/zinc/06/22/66/836062266.db2.gz AEWCXTNXTBHTFD-HNNXBMFYSA-N 2 0 345.403 -0.099 20 0 EBADRP C[C@H]([NH2+]C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1)C(=O)NC(N)=O ZINC001201043591 836084893 /nfs/dbraw/zinc/08/48/93/836084893.db2.gz DUGHEENXRBNBMX-NSHDSACASA-N 2 0 339.440 -0.365 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCCO1 ZINC001201187747 836107800 /nfs/dbraw/zinc/10/78/00/836107800.db2.gz RSRGOOUXNPVWDJ-OAGGEKHMSA-N 2 0 343.468 -0.315 20 0 EBADRP COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1 ZINC001201260601 836118851 /nfs/dbraw/zinc/11/88/51/836118851.db2.gz JHKARDLRBYUGRV-GJZGRUSLSA-N 2 0 343.468 -0.457 20 0 EBADRP C[NH+](C)CCC(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001201333718 836129678 /nfs/dbraw/zinc/12/96/78/836129678.db2.gz BUEVCCPWSVCCQN-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP CC(C)[C@H](C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001201343787 836131953 /nfs/dbraw/zinc/13/19/53/836131953.db2.gz LQGVHUIHDXSQJU-GOEBONIOSA-N 2 0 342.484 -0.132 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CCCO1 ZINC001201404500 836141236 /nfs/dbraw/zinc/14/12/36/836141236.db2.gz WBIUITZBOFKTSB-UONOGXRCSA-N 2 0 326.441 -0.719 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001201678511 836174779 /nfs/dbraw/zinc/17/47/79/836174779.db2.gz KWFRNVYRBQEKDL-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001201678513 836174784 /nfs/dbraw/zinc/17/47/84/836174784.db2.gz KWFRNVYRBQEKDL-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001201678512 836174916 /nfs/dbraw/zinc/17/49/16/836174916.db2.gz KWFRNVYRBQEKDL-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCCO[C@@H](C[NH2+][C@H](C)C(=O)NC)C1 ZINC001201679071 836174926 /nfs/dbraw/zinc/17/49/26/836174926.db2.gz RXANOVOVXQBUJJ-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CCCO1 ZINC001201727489 836184388 /nfs/dbraw/zinc/18/43/88/836184388.db2.gz XMUFZCZZXXFJMW-ZBFHGGJFSA-N 2 0 343.468 -0.315 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCCO[C@@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001201800148 836193819 /nfs/dbraw/zinc/19/38/19/836193819.db2.gz DWKUJMDUOWQMIC-AWEZNQCLSA-N 2 0 349.497 -0.420 20 0 EBADRP COCCC[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201863994 836207692 /nfs/dbraw/zinc/20/76/92/836207692.db2.gz RMBKEFHNCGQBIO-OAHLLOKOSA-N 2 0 331.457 -0.192 20 0 EBADRP COC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201864213 836207734 /nfs/dbraw/zinc/20/77/34/836207734.db2.gz UFDAHJPJLWCKGX-LSDHHAIUSA-N 2 0 331.457 -0.193 20 0 EBADRP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCCO1 ZINC001201908635 836213861 /nfs/dbraw/zinc/21/38/61/836213861.db2.gz NRIWGCGLIYUJLQ-JKSUJKDBSA-N 2 0 345.484 -0.067 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCCO[C@@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001201924442 836216402 /nfs/dbraw/zinc/21/64/02/836216402.db2.gz LTKXMVKLIDCUSB-KBPBESRZSA-N 2 0 328.457 -0.201 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCCO[C@@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001201931656 836218185 /nfs/dbraw/zinc/21/81/85/836218185.db2.gz NPZHLUYJDIYTLN-AWEZNQCLSA-N 2 0 349.497 -0.420 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001201931193 836218206 /nfs/dbraw/zinc/21/82/06/836218206.db2.gz JANWWQZQMDWPGX-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202060246 836247229 /nfs/dbraw/zinc/24/72/29/836247229.db2.gz VYJBMQYUOJBKCB-UONOGXRCSA-N 2 0 326.441 -0.767 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001202066873 836247399 /nfs/dbraw/zinc/24/73/99/836247399.db2.gz CELTXINSKCBUQH-CABCVRRESA-N 2 0 329.441 -0.846 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCCO[C@H](C[NH2+]CCCO)C1 ZINC001202071154 836248746 /nfs/dbraw/zinc/24/87/46/836248746.db2.gz WZVHWGKIQLRAFU-JKSUJKDBSA-N 2 0 343.468 -0.456 20 0 EBADRP NC(=O)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CCCO1 ZINC001202135503 836259827 /nfs/dbraw/zinc/25/98/27/836259827.db2.gz WKSILQYGENQMQG-AWEZNQCLSA-N 2 0 326.441 -0.445 20 0 EBADRP C[C@@H]([NH2+]C1CCN(C(=O)C2CC[NH+](C)CC2)CC1)C(=O)NC(N)=O ZINC001202296299 836289537 /nfs/dbraw/zinc/28/95/37/836289537.db2.gz FCYGUCCINRJJNW-LLVKDONJSA-N 2 0 339.440 -0.508 20 0 EBADRP COC[C@H](C)OC[C@H](O)C[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202316276 836290454 /nfs/dbraw/zinc/29/04/54/836290454.db2.gz UEIILFWXHCDTEG-GOEBONIOSA-N 2 0 345.484 -0.069 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202316324 836291091 /nfs/dbraw/zinc/29/10/91/836291091.db2.gz WFIKHHMOAUQCAH-GFCCVEGCSA-N 2 0 341.456 -0.247 20 0 EBADRP COC[C@@H](C)OC[C@H](O)C[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202316275 836291214 /nfs/dbraw/zinc/29/12/14/836291214.db2.gz UEIILFWXHCDTEG-GDBMZVCRSA-N 2 0 345.484 -0.069 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC([NH2+]CC(=O)N2CCOCC2)CC1 ZINC001202316225 836291290 /nfs/dbraw/zinc/29/12/90/836291290.db2.gz RMQGWYYKSRRAQX-UHFFFAOYSA-N 2 0 326.441 -0.623 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]CCS(C)(=O)=O)CC1 ZINC001202503386 836309296 /nfs/dbraw/zinc/30/92/96/836309296.db2.gz MIUXKGOECYKFRT-GXTWGEPZSA-N 2 0 331.482 -0.191 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC([NH2+]CCN(C)S(C)(=O)=O)CC1 ZINC001203202907 836406169 /nfs/dbraw/zinc/40/61/69/836406169.db2.gz CWQBJCUHIJPVRH-UHFFFAOYSA-N 2 0 348.513 -0.200 20 0 EBADRP CCN1CC[C@H]([NH2+]C2CCN(C(=O)COCC[NH+](C)C)CC2)C1=O ZINC001203349164 836423876 /nfs/dbraw/zinc/42/38/76/836423876.db2.gz HFTSKLXHSUIWPF-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)NC(=O)C[NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001203349551 836425177 /nfs/dbraw/zinc/42/51/77/836425177.db2.gz SAHISFBIHZOXNJ-UHFFFAOYSA-N 2 0 328.457 -0.330 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001203431682 836430602 /nfs/dbraw/zinc/43/06/02/836430602.db2.gz QHKWMRSMLLALMB-UHFFFAOYSA-N 2 0 327.429 -0.506 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001203699765 836463800 /nfs/dbraw/zinc/46/38/00/836463800.db2.gz SCNDDPNFXLCGJG-HOCLYGCPSA-N 2 0 343.468 -0.457 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001203705267 836464497 /nfs/dbraw/zinc/46/44/97/836464497.db2.gz QGMJHLHYSRUVML-UHFFFAOYSA-N 2 0 325.413 -0.882 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1 ZINC001203925901 836488903 /nfs/dbraw/zinc/48/89/03/836488903.db2.gz YMFSMDHHJXMEFL-UHFFFAOYSA-N 2 0 334.486 -0.544 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC(C[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001206654022 836666215 /nfs/dbraw/zinc/66/62/15/836666215.db2.gz SJMASTYFCVWJQC-AWEZNQCLSA-N 2 0 338.452 -0.038 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001206793753 836678759 /nfs/dbraw/zinc/67/87/59/836678759.db2.gz ARGBRAGWDYDIJS-UHFFFAOYSA-N 2 0 327.429 -0.649 20 0 EBADRP CCCNC(=O)C[NH2+]CC1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001206873921 836687203 /nfs/dbraw/zinc/68/72/03/836687203.db2.gz WVRVGTDONCKWEQ-UHFFFAOYSA-N 2 0 342.484 -0.081 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001208071161 836940532 /nfs/dbraw/zinc/94/05/32/836940532.db2.gz WRFZXORBRYJTNV-MGPQQGTHSA-N 2 0 346.497 -0.544 20 0 EBADRP C[N@H+](CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1)C1CCC1 ZINC001208339949 836999080 /nfs/dbraw/zinc/99/90/80/836999080.db2.gz HLZFXNNISHMWFV-NSHDSACASA-N 2 0 325.413 -0.754 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001208563638 837085408 /nfs/dbraw/zinc/08/54/08/837085408.db2.gz ABXLQWDXMJYUAG-GFCCVEGCSA-N 2 0 344.375 -0.277 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CCC[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001209303454 837154062 /nfs/dbraw/zinc/15/40/62/837154062.db2.gz JXPWMHFTAXASCM-STQMWFEESA-N 2 0 336.436 -0.286 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(=O)NC(N)=O ZINC001209302141 837154070 /nfs/dbraw/zinc/15/40/70/837154070.db2.gz CRGIHNAHOSZLFM-NEPJUHHUSA-N 2 0 339.440 -0.508 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(=O)NC(N)=O ZINC001209302150 837154380 /nfs/dbraw/zinc/15/43/80/837154380.db2.gz CRGIHNAHOSZLFM-VXGBXAGGSA-N 2 0 339.440 -0.508 20 0 EBADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(=O)NC(N)=O ZINC001209302148 837154573 /nfs/dbraw/zinc/15/45/73/837154573.db2.gz CRGIHNAHOSZLFM-RYUDHWBXSA-N 2 0 339.440 -0.508 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209322899 837155848 /nfs/dbraw/zinc/15/58/48/837155848.db2.gz BDRTYMLSIIALLX-AWEZNQCLSA-N 2 0 348.513 -0.152 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001209446740 837167860 /nfs/dbraw/zinc/16/78/60/837167860.db2.gz UPTXUSVOXFXWBE-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001209454447 837167911 /nfs/dbraw/zinc/16/79/11/837167911.db2.gz LMUNTXMHLHJPSR-GFCCVEGCSA-N 2 0 325.413 -0.930 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001209659891 837187652 /nfs/dbraw/zinc/18/76/52/837187652.db2.gz JYQCWWVUXWVGDL-GFCCVEGCSA-N 2 0 339.440 -0.506 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001210221327 837256103 /nfs/dbraw/zinc/25/61/03/837256103.db2.gz ZSAMIHZKLAJNOI-CHWSQXEVSA-N 2 0 341.456 -0.247 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001210493666 837290217 /nfs/dbraw/zinc/29/02/17/837290217.db2.gz MXIHVJJLFJUILG-ZDUSSCGKSA-N 2 0 334.486 -0.542 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001210493716 837290944 /nfs/dbraw/zinc/29/09/44/837290944.db2.gz OALKJCWOBCGLGY-VXGBXAGGSA-N 2 0 327.429 -0.508 20 0 EBADRP CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)COCC[NH+](C)C)C2)C1=O ZINC001210685731 837320347 /nfs/dbraw/zinc/32/03/47/837320347.db2.gz YBRDTGXTSJNDIS-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP O=C(N1CCC[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001210685769 837320589 /nfs/dbraw/zinc/32/05/89/837320589.db2.gz YURVYSZZOKINBQ-JKSUJKDBSA-N 2 0 347.463 -0.080 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001210690438 837320597 /nfs/dbraw/zinc/32/05/97/837320597.db2.gz LBVCTAPQLLMTFL-NSHDSACASA-N 2 0 348.407 -0.463 20 0 EBADRP O=C(N1CCC[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001210685768 837320810 /nfs/dbraw/zinc/32/08/10/837320810.db2.gz YURVYSZZOKINBQ-HZPDHXFCSA-N 2 0 347.463 -0.080 20 0 EBADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001210742219 837327635 /nfs/dbraw/zinc/32/76/35/837327635.db2.gz BTJPZCHNWIGYIT-STQMWFEESA-N 2 0 341.456 -0.118 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001210782283 837329264 /nfs/dbraw/zinc/32/92/64/837329264.db2.gz JWDXUPRNQHJXQK-CYBMUJFWSA-N 2 0 341.456 -0.246 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001210796762 837332966 /nfs/dbraw/zinc/33/29/66/837332966.db2.gz JOLCKUIQXWXSSB-QWHCGFSZSA-N 2 0 341.456 -0.118 20 0 EBADRP CN(CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001211064171 837376415 /nfs/dbraw/zinc/37/64/15/837376415.db2.gz JLHVWRHVLXCRMH-KGLIPLIRSA-N 2 0 346.497 -0.590 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211064846 837378122 /nfs/dbraw/zinc/37/81/22/837378122.db2.gz RCNFLANTNPLYJA-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001213719337 837851249 /nfs/dbraw/zinc/85/12/49/837851249.db2.gz YCXHLKOMAINBIB-RRFJBIMHSA-N 2 0 329.441 -0.848 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCCOC)C[C@H]1OC ZINC001213767251 837860474 /nfs/dbraw/zinc/86/04/74/837860474.db2.gz KOCDSHFBFRHSPU-HUUCEWRRSA-N 2 0 331.457 -0.193 20 0 EBADRP C[NH+](C)CCCN1C(=O)C[C@H]([NH+]2CCC(OCC(N)=O)CC2)C1=O ZINC001318984184 838055204 /nfs/dbraw/zinc/05/52/04/838055204.db2.gz GBLXSJQRDWBUFR-ZDUSSCGKSA-N 2 0 340.424 -0.968 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]CCNS(C)(=O)=O ZINC001319189718 838084635 /nfs/dbraw/zinc/08/46/35/838084635.db2.gz PLYMSQVGYHUYAI-OCCSQVGLSA-N 2 0 346.497 -0.781 20 0 EBADRP C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001319560342 838150069 /nfs/dbraw/zinc/15/00/69/838150069.db2.gz LRWRGDZFXKJLRO-ZDUSSCGKSA-N 2 0 346.497 -0.590 20 0 EBADRP CCn1cc(CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1 ZINC001320232239 838717399 /nfs/dbraw/zinc/71/73/99/838717399.db2.gz NSCUOHJOIAFNBM-FVQBIDKESA-N 2 0 337.468 -0.148 20 0 EBADRP CC(C)NC(=O)NCC[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001320269760 838735672 /nfs/dbraw/zinc/73/56/72/838735672.db2.gz ADXPVUMATZLKHC-CQSZACIVSA-N 2 0 343.472 -0.898 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]CCS(C)(=O)=O)CC1 ZINC001320292102 838746221 /nfs/dbraw/zinc/74/62/21/838746221.db2.gz IPEDIMLPMLEKDH-CQSZACIVSA-N 2 0 349.497 -0.782 20 0 EBADRP C[C@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320523619 838784489 /nfs/dbraw/zinc/78/44/89/838784489.db2.gz PVHQMWIZHWLAFQ-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](CC[NH2+]CCN1C(=O)CNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001320544853 838787681 /nfs/dbraw/zinc/78/76/81/838787681.db2.gz VCZDWCQDCMRGLV-GFCCVEGCSA-N 2 0 339.440 -0.636 20 0 EBADRP C[C@@H](CC[NH2+]CC(=O)N1CCO[C@@H](C)C1)NC(=O)CC[NH+](C)C ZINC001320543141 838787800 /nfs/dbraw/zinc/78/78/00/838787800.db2.gz LZEJGCSVNFCHNZ-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@H](CC[NH2+]CC(=O)N1CCO[C@H](C)C1)NC(=O)CC[NH+](C)C ZINC001320543144 838788353 /nfs/dbraw/zinc/78/83/53/838788353.db2.gz LZEJGCSVNFCHNZ-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP CCN(CC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001320818798 838843669 /nfs/dbraw/zinc/84/36/69/838843669.db2.gz HHWCLEZMCCUGBE-MELADBBJSA-N 2 0 338.452 -0.040 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001320996774 838878468 /nfs/dbraw/zinc/87/84/68/838878468.db2.gz FOPAHRDHEIOXNZ-JQSFKPKSSA-N 2 0 339.440 -0.423 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001321199183 838933638 /nfs/dbraw/zinc/93/36/38/838933638.db2.gz FZXRKLCSHVYMGC-PBJSTTKNSA-N 2 0 339.440 -0.423 20 0 EBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC001321510061 839007039 /nfs/dbraw/zinc/00/70/39/839007039.db2.gz UPGDUCPGRLJDSD-CZUORRHYSA-N 2 0 342.509 -0.050 20 0 EBADRP CC[C@H](C(=O)N[C@H](C)C[N@H+](C)CCN1C(=O)CCC1=O)[NH+](C)C ZINC001322281335 839166667 /nfs/dbraw/zinc/16/66/67/839166667.db2.gz NUCTZBFKDRDWTE-CHWSQXEVSA-N 2 0 326.441 -0.088 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]CC(=O)NC(=O)NC)CC[N@@H+]1C ZINC001322517285 839191867 /nfs/dbraw/zinc/19/18/67/839191867.db2.gz NXMGCHQKDPOPEJ-QWHCGFSZSA-N 2 0 341.456 -0.390 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001322648993 839226196 /nfs/dbraw/zinc/22/61/96/839226196.db2.gz QTXCUILXTWQKOH-GFCCVEGCSA-N 2 0 327.429 -0.636 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001322677408 839234041 /nfs/dbraw/zinc/23/40/41/839234041.db2.gz BBALVUNTANABJI-GFCCVEGCSA-N 2 0 341.456 -0.390 20 0 EBADRP C[C@@H](NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)C1=CC[NH+](C)CC1 ZINC001322961654 839307543 /nfs/dbraw/zinc/30/75/43/839307543.db2.gz ITHXQMSECRAXBL-UKRRQHHQSA-N 2 0 337.468 -0.885 20 0 EBADRP C[N@H+](CC(=O)N[C@@H](C[NH2+][C@@H]1CCC(=O)NC1=O)C1CC1)C1CCC1 ZINC001323013764 839322668 /nfs/dbraw/zinc/32/26/68/839322668.db2.gz DXWSNFFUWTVRCB-KGLIPLIRSA-N 2 0 336.436 -0.240 20 0 EBADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC001323541243 839467237 /nfs/dbraw/zinc/46/72/37/839467237.db2.gz SSIFPMWLMHRHBM-UHFFFAOYSA-N 2 0 339.440 -0.682 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]CCS(C)(=O)=O)CC1 ZINC001324222377 839611468 /nfs/dbraw/zinc/61/14/68/839611468.db2.gz PRRPKCVIPQGARI-AWEZNQCLSA-N 2 0 331.482 -0.047 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001324537590 839674246 /nfs/dbraw/zinc/67/42/46/839674246.db2.gz JIMJNXRHNZDFLQ-HZSPNIEDSA-N 2 0 336.436 -0.191 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@](C)(C[NH2+]CCNS(C)(=O)=O)C1 ZINC001324784669 839714254 /nfs/dbraw/zinc/71/42/54/839714254.db2.gz UPBFURHSSKNNIX-CQSZACIVSA-N 2 0 334.486 -0.685 20 0 EBADRP C[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[C@H]1CCC[NH2+]C1 ZINC001326590554 840142418 /nfs/dbraw/zinc/14/24/18/840142418.db2.gz LRGPOVUSBISGHC-OLZOCXBDSA-N 2 0 336.440 -0.113 20 0 EBADRP C[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC001326590555 840142961 /nfs/dbraw/zinc/14/29/61/840142961.db2.gz LRGPOVUSBISGHC-QWHCGFSZSA-N 2 0 336.440 -0.113 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001327079516 840293818 /nfs/dbraw/zinc/29/38/18/840293818.db2.gz IDRRUYFPHVWAOC-CQSZACIVSA-N 2 0 341.456 -0.831 20 0 EBADRP O=C(NCC1CC[NH2+]CC1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001327485608 840433126 /nfs/dbraw/zinc/43/31/26/840433126.db2.gz MNSPQKMZLDDWCW-OAHLLOKOSA-N 2 0 338.452 -0.528 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[C@H]1F ZINC001327501473 840436732 /nfs/dbraw/zinc/43/67/32/840436732.db2.gz ZWSRYVPVTYGHCK-BFHYXJOUSA-N 2 0 342.415 -0.746 20 0 EBADRP O=C(NCCC[NH2+]C1CC1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001328368259 840663906 /nfs/dbraw/zinc/66/39/06/840663906.db2.gz PAGCGSVNULJPEG-OAHLLOKOSA-N 2 0 338.452 -0.386 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@](O)(C2CC2)C1 ZINC001328386746 840668835 /nfs/dbraw/zinc/66/88/35/840668835.db2.gz STEANGOCFCZKDW-KRWDZBQOSA-N 2 0 340.468 -0.688 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)CCN1C(=O)CNC1=O ZINC001328764003 840744440 /nfs/dbraw/zinc/74/44/40/840744440.db2.gz IEDRUEKUUQMDQT-CYBMUJFWSA-N 2 0 339.440 -0.587 20 0 EBADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)CC[N@@H+]1C ZINC001328818515 840760480 /nfs/dbraw/zinc/76/04/80/840760480.db2.gz XLPMEGMDUKHSPC-RBSFLKMASA-N 2 0 339.484 -0.711 20 0 EBADRP O=C(NC1CC(C[NH2+]CCOCCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001328859232 840770396 /nfs/dbraw/zinc/77/03/96/840770396.db2.gz LVXIYBTYDVKUHM-AVVWSFFYSA-N 2 0 325.453 -0.179 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001328973235 840803277 /nfs/dbraw/zinc/80/32/77/840803277.db2.gz JNQWRPAUUVHCIJ-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001328973236 840803746 /nfs/dbraw/zinc/80/37/46/840803746.db2.gz JNQWRPAUUVHCIJ-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001328980121 840804961 /nfs/dbraw/zinc/80/49/61/840804961.db2.gz GJXLSCJGWRVLHN-ZDUSSCGKSA-N 2 0 339.484 -0.533 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001328976058 840805178 /nfs/dbraw/zinc/80/51/78/840805178.db2.gz XCIKVRLYBOSXAS-UONOGXRCSA-N 2 0 326.441 -0.712 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC2([NH3+])CCOCC2)C[C@@H]1C ZINC001329004428 840813270 /nfs/dbraw/zinc/81/32/70/840813270.db2.gz SAVJXPQPRWRILP-KBPBESRZSA-N 2 0 340.468 -0.058 20 0 EBADRP COC(=O)[C@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001329005604 840814589 /nfs/dbraw/zinc/81/45/89/840814589.db2.gz SSTYJDRFANAPQC-BETUJISGSA-N 2 0 342.440 -0.994 20 0 EBADRP CC(=O)N(C(=O)C(=O)N1CC[C@H]([NH3+])C1)c1cccc2c1C[NH2+]CC2 ZINC001329949437 841072243 /nfs/dbraw/zinc/07/22/43/841072243.db2.gz DTAFOVJVFGPQBR-ZDUSSCGKSA-N 2 0 330.388 -0.229 20 0 EBADRP C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001330003665 841089505 /nfs/dbraw/zinc/08/95/05/841089505.db2.gz NMTRYOJIKVTUBB-ZDUSSCGKSA-N 2 0 347.423 -0.965 20 0 EBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC001330083454 841111554 /nfs/dbraw/zinc/11/15/54/841111554.db2.gz GOCASGCXNAQPTC-CQSZACIVSA-N 2 0 344.375 -0.611 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001330524198 841227778 /nfs/dbraw/zinc/22/77/78/841227778.db2.gz CDGWPZJJWTYBLB-STQMWFEESA-N 2 0 326.441 -0.672 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001330598329 841243473 /nfs/dbraw/zinc/24/34/73/841243473.db2.gz AAHFLUGVDBAJOM-KBUPBQIOSA-N 2 0 337.468 -0.164 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001330869258 841287469 /nfs/dbraw/zinc/28/74/69/841287469.db2.gz CDBHUVAWUUVXIR-ZDUSSCGKSA-N 2 0 339.484 -0.485 20 0 EBADRP CO[C@H](C)CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001331097756 841333676 /nfs/dbraw/zinc/33/36/76/841333676.db2.gz LOEURZJULJCUIC-MGPQQGTHSA-N 2 0 328.457 -0.665 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCO1 ZINC001331115198 841338678 /nfs/dbraw/zinc/33/86/78/841338678.db2.gz KZXAWSUNMJROMO-KFWWJZLASA-N 2 0 338.452 -0.434 20 0 EBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC001331205528 841370324 /nfs/dbraw/zinc/37/03/24/841370324.db2.gz URVMWRUKOBDBRS-SDDRHHMPSA-N 2 0 332.395 -0.196 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001331320694 841392547 /nfs/dbraw/zinc/39/25/47/841392547.db2.gz WUNQAWPEAHHEPN-ZDUSSCGKSA-N 2 0 340.468 -0.153 20 0 EBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001331573176 841429107 /nfs/dbraw/zinc/42/91/07/841429107.db2.gz COQQVCVVXIYICT-QLFBSQMISA-N 2 0 338.452 -0.570 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](F)C2)C[C@H]1C[NH+](C)C ZINC001332077630 841566055 /nfs/dbraw/zinc/56/60/55/841566055.db2.gz CXRFUBVAGYCKLE-MCIONIFRSA-N 2 0 328.432 -0.245 20 0 EBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)COC2CC[NH2+]CC2)C1 ZINC001332125890 841579294 /nfs/dbraw/zinc/57/92/94/841579294.db2.gz TYQXECMCQYOCAY-ZDUSSCGKSA-N 2 0 326.441 -0.541 20 0 EBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001332269166 841602859 /nfs/dbraw/zinc/60/28/59/841602859.db2.gz DPTHOKKWWLWBMB-KGLIPLIRSA-N 2 0 340.468 -0.282 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC001332866115 841754948 /nfs/dbraw/zinc/75/49/48/841754948.db2.gz OIGZXDVFJLIGKJ-QWHCGFSZSA-N 2 0 339.440 -0.589 20 0 EBADRP CN(CCOCC[NH2+]CC(=O)N1CCC1)C(=O)C1CC[NH+](C)CC1 ZINC001333248359 841834691 /nfs/dbraw/zinc/83/46/91/841834691.db2.gz CBISPEAWUPPOPA-UHFFFAOYSA-N 2 0 340.468 -0.375 20 0 EBADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001333361119 841858903 /nfs/dbraw/zinc/85/89/03/841858903.db2.gz MVLOSWOFAVOTGY-JYJNAYRXSA-N 2 0 328.416 -0.050 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C[C@H](C)O1 ZINC001333448844 841883216 /nfs/dbraw/zinc/88/32/16/841883216.db2.gz SVTHXIJNOLVXDZ-YXSUXZIUSA-N 2 0 326.441 -0.545 20 0 EBADRP C[NH+](C)CC[C@@H](N)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001333731565 841934820 /nfs/dbraw/zinc/93/48/20/841934820.db2.gz CYSMEIHDVIMKHJ-JKSUJKDBSA-N 2 0 341.500 -0.822 20 0 EBADRP C[N@@H+]1C[C@@H]2CCN(C(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)[C@@H]2C1 ZINC001334198891 842009484 /nfs/dbraw/zinc/00/94/84/842009484.db2.gz TWIKDLJPGUYWLI-SOUVJXGZSA-N 2 0 337.468 -0.081 20 0 EBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001335292358 842252394 /nfs/dbraw/zinc/25/23/94/842252394.db2.gz QQYQWFPUMBXEEF-HDJSIYSDSA-N 2 0 339.484 -0.676 20 0 EBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NCCC[N@H+](C)CCOC ZINC001335770041 842352120 /nfs/dbraw/zinc/35/21/20/842352120.db2.gz XDXALMTUCGKIBL-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP C[C@H](CNC(=O)N1CCNCC[NH2+]CC1)C[NH+]1CCN(C)CC1 ZINC001336047527 842388534 /nfs/dbraw/zinc/38/85/34/842388534.db2.gz FHPJWOKXGKLXQB-OAHLLOKOSA-N 2 0 326.489 -0.926 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCCN3CCSC[C@H]23)CC1 ZINC001336846477 842551452 /nfs/dbraw/zinc/55/14/52/842551452.db2.gz BLOPCZGLRLRBPG-OWCLPIDISA-N 2 0 328.526 -0.236 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CCCO1 ZINC001338262672 842772848 /nfs/dbraw/zinc/77/28/48/842772848.db2.gz MKRNDJIWQYNJFJ-IHRRRGAJSA-N 2 0 326.441 -0.543 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CCCO1 ZINC001338262673 842772880 /nfs/dbraw/zinc/77/28/80/842772880.db2.gz MKRNDJIWQYNJFJ-MGPQQGTHSA-N 2 0 326.441 -0.543 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC001338278611 842776146 /nfs/dbraw/zinc/77/61/46/842776146.db2.gz BOGLJHKICFRGIE-ZIAGYGMSSA-N 2 0 340.468 -0.343 20 0 EBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC001338326839 842782667 /nfs/dbraw/zinc/78/26/67/842782667.db2.gz GUYKCNZTOOXTHT-UHFFFAOYSA-N 2 0 341.500 -0.284 20 0 EBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@@H]1CNOC1 ZINC001338491277 842811755 /nfs/dbraw/zinc/81/17/55/842811755.db2.gz GSRNOIYLLUOQON-CQSZACIVSA-N 2 0 334.424 -0.204 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C)n1 ZINC001338891190 842874470 /nfs/dbraw/zinc/87/44/70/842874470.db2.gz ZTIQSZNYGKJDLX-ZDUSSCGKSA-N 2 0 336.440 -0.016 20 0 EBADRP CN(CCF)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001339226399 842902340 /nfs/dbraw/zinc/90/23/40/842902340.db2.gz ULRHBMJNEAIBQP-OKILXGFUSA-N 2 0 326.416 -0.159 20 0 EBADRP O=C(CCn1cnnn1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001339357666 842910243 /nfs/dbraw/zinc/91/02/43/842910243.db2.gz LSWFIYAWIDDUIQ-UHFFFAOYSA-N 2 0 344.423 -0.213 20 0 EBADRP [NH3+]CCN1CCC[C@H](C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)C1=O ZINC001342504862 843165927 /nfs/dbraw/zinc/16/59/27/843165927.db2.gz CHPHVULUGWNAOJ-MCIONIFRSA-N 2 0 340.493 -0.120 20 0 EBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C1CC[NH2+]CC1 ZINC001342535974 843167775 /nfs/dbraw/zinc/16/77/75/843167775.db2.gz OCEOGLSYXOVOEF-BGTYHANMSA-N 3 0 347.507 -0.198 20 0 EBADRP Cn1cc(CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC001344755251 843331992 /nfs/dbraw/zinc/33/19/92/843331992.db2.gz BQSNTMHTUAYDEG-UHFFFAOYSA-N 2 0 338.456 -0.969 20 0 EBADRP C[C@@H]1SCC[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001345919807 843462155 /nfs/dbraw/zinc/46/21/55/843462155.db2.gz OPVXSJWSZBLMTP-STQMWFEESA-N 2 0 330.498 -0.052 20 0 EBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC001345930209 843463096 /nfs/dbraw/zinc/46/30/96/843463096.db2.gz BRCDCIBGSDKDNT-AEFFLSMTSA-N 2 0 349.523 -0.139 20 0 EBADRP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001345983465 843468470 /nfs/dbraw/zinc/46/84/70/843468470.db2.gz WHRQEGGLFPJVOL-GBJTYRQASA-N 2 0 336.436 -0.635 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)N2CCNCC[NH2+]CC2)CC1 ZINC001346274849 843496269 /nfs/dbraw/zinc/49/62/69/843496269.db2.gz CJCDPVDYKVRXBN-UHFFFAOYSA-N 2 0 327.473 -0.308 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC001347363077 843613960 /nfs/dbraw/zinc/61/39/60/843613960.db2.gz ZXSATFDABJYGRM-HNNXBMFYSA-N 2 0 329.489 -0.110 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)[C@H]1CN(C)CCO1 ZINC001348699455 843734162 /nfs/dbraw/zinc/73/41/62/843734162.db2.gz BZKKDQDMVQVEJR-ZIAGYGMSSA-N 2 0 326.441 -0.578 20 0 EBADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575144244 952164765 /nfs/dbraw/zinc/16/47/65/952164765.db2.gz HGTHEXPJPXDLPL-NEPJUHHUSA-N 2 0 344.423 -0.106 20 0 EBADRP CCO[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1C[NH2+]CCO ZINC001691332688 1125851736 /nfs/dbraw/zinc/85/17/36/1125851736.db2.gz WVZJRJKTSGCVQG-HUUCEWRRSA-N 2 0 329.441 -0.846 20 0 EBADRP CN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)CC(=O)NC[C@@H]1CCCO1 ZINC001480935510 1125881813 /nfs/dbraw/zinc/88/18/13/1125881813.db2.gz OKEFFZHWRPKSIR-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP O=C(NC[C@H]1C[C@@H]([NH2+]CCOCCO)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001691476188 1125884043 /nfs/dbraw/zinc/88/40/43/1125884043.db2.gz RXXWADRCKQHPFE-UXLLHSPISA-N 2 0 325.453 -0.034 20 0 EBADRP C[C@H](C(=O)Nc1ncccn1)N(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001480946577 1125889120 /nfs/dbraw/zinc/88/91/20/1125889120.db2.gz SQBBTLSZHANQNH-OLZOCXBDSA-N 2 0 334.424 -0.197 20 0 EBADRP CN(CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CN(C)CCO1 ZINC001408618384 1125891793 /nfs/dbraw/zinc/89/17/93/1125891793.db2.gz YHZPDZOYLVQYRJ-KBPBESRZSA-N 2 0 326.441 -0.624 20 0 EBADRP C[C@H](C(=O)NC(N)=O)N1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001481066437 1125916238 /nfs/dbraw/zinc/91/62/38/1125916238.db2.gz USFSRPXGIIMJOG-VXGBXAGGSA-N 2 0 337.424 -0.754 20 0 EBADRP CN(C)C(=O)C[N@@H+]1CC[C@@H](CNC(=O)CCN2CCOCC2)C1 ZINC001481115702 1125924622 /nfs/dbraw/zinc/92/46/22/1125924622.db2.gz LYRDPCARWNZGDY-AWEZNQCLSA-N 2 0 326.441 -0.765 20 0 EBADRP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001481119671 1125926180 /nfs/dbraw/zinc/92/61/80/1125926180.db2.gz ZEAOCRKUFONKMB-GFCCVEGCSA-N 2 0 327.429 -0.649 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001481238301 1125949951 /nfs/dbraw/zinc/94/99/51/1125949951.db2.gz PIXPJOYDGMYRRP-OLZOCXBDSA-N 2 0 341.456 -0.247 20 0 EBADRP CN(CC[NH2+]CCN1CCCS1(=O)=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001481247097 1125952232 /nfs/dbraw/zinc/95/22/32/1125952232.db2.gz HQFTVCKLUCLLQK-AWEZNQCLSA-N 2 0 346.497 -0.446 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CC[NH2+]CC(=O)NC1CC1 ZINC001481314463 1125970856 /nfs/dbraw/zinc/97/08/56/1125970856.db2.gz GMNDNQOBWWRCDN-CYBMUJFWSA-N 2 0 326.441 -0.719 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001481286813 1125965884 /nfs/dbraw/zinc/96/58/84/1125965884.db2.gz BZFGRVHTEHHKOQ-STQMWFEESA-N 2 0 341.456 -0.119 20 0 EBADRP CC(C)NC(=O)NCC[NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001481303833 1125969462 /nfs/dbraw/zinc/96/94/62/1125969462.db2.gz CGLBBRHVHMNGNT-UHFFFAOYSA-N 2 0 325.457 -0.162 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001481497100 1126003657 /nfs/dbraw/zinc/00/36/57/1126003657.db2.gz IDZVMQTZVFXARE-VXGBXAGGSA-N 2 0 327.429 -0.698 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)CC(=O)NC(=O)NC)C1 ZINC001481505425 1126004937 /nfs/dbraw/zinc/00/49/37/1126004937.db2.gz QLSVEUQUNGJSPR-CYBMUJFWSA-N 2 0 341.456 -0.436 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001481506415 1126005026 /nfs/dbraw/zinc/00/50/26/1126005026.db2.gz CRIKVDQJMBNGGM-OLZOCXBDSA-N 2 0 339.440 -0.554 20 0 EBADRP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCOCC1 ZINC001481873524 1126063670 /nfs/dbraw/zinc/06/36/70/1126063670.db2.gz AQOQHMGLZGEXRP-KBPBESRZSA-N 2 0 326.441 -0.719 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001481982486 1126070433 /nfs/dbraw/zinc/07/04/33/1126070433.db2.gz MCQGLYSCTMRMBT-CYBMUJFWSA-N 2 0 341.456 -0.388 20 0 EBADRP COCCCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482066671 1126075481 /nfs/dbraw/zinc/07/54/81/1126075481.db2.gz DPFATCCZIUKLEG-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H](C[NH2+]CCCS(=O)(=O)N(C)C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482268714 1126115630 /nfs/dbraw/zinc/11/56/30/1126115630.db2.gz ZXZPYNNZOCHZFP-UONOGXRCSA-N 2 0 348.513 -0.201 20 0 EBADRP C[C@H](C[NH2+]CCCS(=O)(=O)N(C)C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001482268712 1126115687 /nfs/dbraw/zinc/11/56/87/1126115687.db2.gz ZXZPYNNZOCHZFP-KGLIPLIRSA-N 2 0 348.513 -0.201 20 0 EBADRP C[C@@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482283741 1126118873 /nfs/dbraw/zinc/11/88/73/1126118873.db2.gz PRLDWZBLILVVDI-GXTWGEPZSA-N 2 0 346.497 -0.686 20 0 EBADRP C[C@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001482290660 1126120535 /nfs/dbraw/zinc/12/05/35/1126120535.db2.gz ATEMCUYUTXCPOK-GFCCVEGCSA-N 2 0 339.440 -0.541 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001482296858 1126122263 /nfs/dbraw/zinc/12/22/63/1126122263.db2.gz AGYUOISEBXUSKX-VXGBXAGGSA-N 2 0 327.429 -0.637 20 0 EBADRP C[C@H](C[NH2+]CC(=O)N1CCOCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482364344 1126139028 /nfs/dbraw/zinc/13/90/28/1126139028.db2.gz HNMAWXDHJBTPDN-ZIAGYGMSSA-N 2 0 326.441 -0.767 20 0 EBADRP CC[C@@H](C(=O)NC1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1)[NH+](C)C ZINC001409082787 1126187538 /nfs/dbraw/zinc/18/75/38/1126187538.db2.gz IUCOILKMBOCNRM-ZFWWWQNUSA-N 2 0 340.468 -0.378 20 0 EBADRP Cc1nc(CNC[C@@H](O)CNC(=O)[C@H]2CN(C)CCO2)c(C)o1 ZINC001482719662 1126257829 /nfs/dbraw/zinc/25/78/29/1126257829.db2.gz YGMQCMDKNDIJMX-TZMCWYRMSA-N 2 0 326.397 -0.811 20 0 EBADRP C[N@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCCCC1)C1CCC1 ZINC001482737298 1126271906 /nfs/dbraw/zinc/27/19/06/1126271906.db2.gz JOTIYIQQSUICHR-HNNXBMFYSA-N 2 0 340.468 -0.450 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CCCC2)CCC1 ZINC001482737766 1126272144 /nfs/dbraw/zinc/27/21/44/1126272144.db2.gz SXKMNWSQHDBMRB-AWEZNQCLSA-N 2 0 340.468 -0.404 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001482756396 1126278678 /nfs/dbraw/zinc/27/86/78/1126278678.db2.gz QZTYRDYGEZTFMQ-ZDUSSCGKSA-N 2 0 328.457 -0.594 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCC2)C1 ZINC001482762356 1126280662 /nfs/dbraw/zinc/28/06/62/1126280662.db2.gz OSNYYUOLQSEBNX-GJZGRUSLSA-N 2 0 340.468 -0.593 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]C[C@H](O)CC(F)(F)F)CC1 ZINC001482765104 1126281308 /nfs/dbraw/zinc/28/13/08/1126281308.db2.gz FHPALCMLKBUGJR-NEPJUHHUSA-N 2 0 341.374 -0.292 20 0 EBADRP CC(C)N(C)C(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001482764958 1126281342 /nfs/dbraw/zinc/28/13/42/1126281342.db2.gz ZSOLYFZEOHCKDK-DZGCQCFKSA-N 2 0 342.484 -0.350 20 0 EBADRP CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)C[NH+]2CCC(C)CC2)C1=O ZINC001482782963 1126289339 /nfs/dbraw/zinc/28/93/39/1126289339.db2.gz VWBUYKPOOHSUQS-LSDHHAIUSA-N 2 0 340.468 -0.594 20 0 EBADRP C[C@H](CC[NH2+]CCN1C(=O)CNC1=O)NC(=O)C[NH+]1CCCC1 ZINC001482898638 1126300350 /nfs/dbraw/zinc/30/03/50/1126300350.db2.gz GKZWJSPRORQDFQ-GFCCVEGCSA-N 2 0 325.413 -0.882 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]CC(=O)NC(N)=O)[NH+]1CCCC1 ZINC001482900558 1126300425 /nfs/dbraw/zinc/30/04/25/1126300425.db2.gz DEBKZTOZRBIOPN-OCCSQVGLSA-N 2 0 341.456 -0.214 20 0 EBADRP CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]CC(=O)NC(N)=O)[NH+]1CCCC1 ZINC001482900556 1126300509 /nfs/dbraw/zinc/30/05/09/1126300509.db2.gz DEBKZTOZRBIOPN-GXTWGEPZSA-N 2 0 341.456 -0.214 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC(=O)NC(N)=O ZINC001482847529 1126297906 /nfs/dbraw/zinc/29/79/06/1126297906.db2.gz FDMPDJKPGRNWDE-OLZOCXBDSA-N 2 0 341.456 -0.214 20 0 EBADRP CCn1ncnc1CNC/C=C\CNC(=O)[C@H]1CN(CC)CCO1 ZINC001483094901 1126331726 /nfs/dbraw/zinc/33/17/26/1126331726.db2.gz HOXLXPUMUVWLBT-GEXIGZQTSA-N 2 0 336.440 -0.219 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001483138931 1126345368 /nfs/dbraw/zinc/34/53/68/1126345368.db2.gz RUKZKLUQOIXLFQ-UPJWGTAASA-N 2 0 343.472 -0.099 20 0 EBADRP C[C@H](C[NH2+]CCN1CCCS1(=O)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001483184372 1126351449 /nfs/dbraw/zinc/35/14/49/1126351449.db2.gz MNDHBRNGNHBICJ-CYBMUJFWSA-N 2 0 344.481 -0.788 20 0 EBADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001483186038 1126351534 /nfs/dbraw/zinc/35/15/34/1126351534.db2.gz JXWZGXOIOKCDGK-PWSUYJOCSA-N 2 0 327.429 -0.591 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC[C@@H]1CCOC1)NC(=O)C[NH+]1CCCC1 ZINC001483192620 1126352455 /nfs/dbraw/zinc/35/24/55/1126352455.db2.gz AQOFLQDSHUUVJO-KGLIPLIRSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)CCC[NH+]1CCCCC1 ZINC001483196458 1126353076 /nfs/dbraw/zinc/35/30/76/1126353076.db2.gz IVTLKIUWCACMPA-OLZOCXBDSA-N 2 0 341.456 -0.070 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001409360161 1126358272 /nfs/dbraw/zinc/35/82/72/1126358272.db2.gz JOUIIYGBEDYBGG-NWDGAFQWSA-N 2 0 341.456 -0.343 20 0 EBADRP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001409619563 1126384255 /nfs/dbraw/zinc/38/42/55/1126384255.db2.gz FGOJLPGQWYJBSS-NEPJUHHUSA-N 2 0 341.456 -0.249 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)NC[C@@H]1CCOC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001483284116 1126413588 /nfs/dbraw/zinc/41/35/88/1126413588.db2.gz ASZHNABGTSULTP-KBPBESRZSA-N 2 0 338.452 -0.671 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CN(C)CC(=O)N1CCOCC1 ZINC001483410628 1126425328 /nfs/dbraw/zinc/42/53/28/1126425328.db2.gz YYWCIOZNJZDMBV-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001483570750 1126436081 /nfs/dbraw/zinc/43/60/81/1126436081.db2.gz MOSSNPGUBDHQQP-ZDUSSCGKSA-N 2 0 326.441 -0.686 20 0 EBADRP CCN1CCO[C@H](C(=O)N[C@@H](C[NH2+]CCS(C)(=O)=O)C2CC2)C1 ZINC001483607358 1126439821 /nfs/dbraw/zinc/43/98/21/1126439821.db2.gz NPPZMFKNKVYZFX-KBPBESRZSA-N 2 0 347.481 -0.764 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CCCCCN1CC(=O)NC(N)=O ZINC001409827338 1126444886 /nfs/dbraw/zinc/44/48/86/1126444886.db2.gz CBVWLPITOWTJLS-CYBMUJFWSA-N 2 0 341.456 -0.116 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NCC2([NH2+][C@H]3CCCNC3=O)CC2)n1 ZINC001483734984 1126465457 /nfs/dbraw/zinc/46/54/57/1126465457.db2.gz JHPFVLXFCYRUGE-ZDUSSCGKSA-N 2 0 348.451 -0.425 20 0 EBADRP O=C(NCC1([NH2+]CCN2CCNC2=O)CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001483787357 1126477077 /nfs/dbraw/zinc/47/70/77/1126477077.db2.gz QFVRKXQRCGDQFM-INIZCTEOSA-N 2 0 335.452 -0.264 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCNS(C)(=O)=O)CC1 ZINC001483794672 1126478298 /nfs/dbraw/zinc/47/82/98/1126478298.db2.gz KOBBXYJVVNDOND-ZDUSSCGKSA-N 2 0 346.497 -0.352 20 0 EBADRP COCC[N@H+](CC(N)=O)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001483820101 1126479149 /nfs/dbraw/zinc/47/91/49/1126479149.db2.gz QHHLAOJJZJPXIH-AWEZNQCLSA-N 2 0 340.468 -0.247 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001483950735 1126492760 /nfs/dbraw/zinc/49/27/60/1126492760.db2.gz UERLYJHIECVXKQ-ZDUSSCGKSA-N 2 0 326.441 -0.576 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001483955872 1126493242 /nfs/dbraw/zinc/49/32/42/1126493242.db2.gz UQMXUUXTYKVKFH-STQMWFEESA-N 2 0 339.440 -0.493 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001484120634 1126507762 /nfs/dbraw/zinc/50/77/62/1126507762.db2.gz QNFDBXXUKUAPHE-GUYCJALGSA-N 2 0 338.452 -0.038 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001484086095 1126505870 /nfs/dbraw/zinc/50/58/70/1126505870.db2.gz DSLZOFREPYENBA-PBHICJAKSA-N 2 0 340.468 -0.330 20 0 EBADRP CC(C)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC001484179493 1126511854 /nfs/dbraw/zinc/51/18/54/1126511854.db2.gz WXSICEBKLWTQNH-AWEZNQCLSA-N 2 0 340.468 -0.140 20 0 EBADRP COCCOCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001484209924 1126520653 /nfs/dbraw/zinc/52/06/53/1126520653.db2.gz ZJXBMCWRKMLQPS-ZBFHGGJFSA-N 2 0 329.441 -0.703 20 0 EBADRP CO[C@@H](C)C[N@@H+]1CC[C@](O)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001484242990 1126538555 /nfs/dbraw/zinc/53/85/55/1126538555.db2.gz OPPSIQRTFOZKLU-YOEHRIQHSA-N 2 0 343.468 -0.315 20 0 EBADRP C[C@H]([NH2+]CC(=O)NC(N)=O)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001484339638 1126564057 /nfs/dbraw/zinc/56/40/57/1126564057.db2.gz YTWSYRLPVYYGTG-RYUDHWBXSA-N 2 0 339.440 -0.508 20 0 EBADRP Cc1nccn1CC(=O)N[C@]1(CO)CCC[N@H+](CCOCCO)C1 ZINC001484448801 1126585824 /nfs/dbraw/zinc/58/58/24/1126585824.db2.gz BEBCAVSFVVKWLR-MRXNPFEDSA-N 2 0 340.424 -0.856 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]CC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001484483230 1126592627 /nfs/dbraw/zinc/59/26/27/1126592627.db2.gz FRZJIDPDKOBZOE-ZIAGYGMSSA-N 2 0 342.484 -0.348 20 0 EBADRP Cn1nncc1C[NH2+]CCN(CCO)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001484490221 1126593454 /nfs/dbraw/zinc/59/34/54/1126593454.db2.gz UZVCORARGXORGY-UHFFFAOYSA-N 2 0 338.456 -0.400 20 0 EBADRP CCN(C)C(=O)C[NH2+]CCN(CCO)C(=O)C12CCC[NH+]1CCC2 ZINC001484485930 1126595596 /nfs/dbraw/zinc/59/55/96/1126595596.db2.gz BQMIJBWCPLUEMY-UHFFFAOYSA-N 2 0 340.468 -0.496 20 0 EBADRP CN1CCO[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CCOCCO)C2)C1 ZINC001484514751 1126600787 /nfs/dbraw/zinc/60/07/87/1126600787.db2.gz QHZREGGQMXXOSS-HUUCEWRRSA-N 2 0 329.441 -0.846 20 0 EBADRP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001484721933 1126627656 /nfs/dbraw/zinc/62/76/56/1126627656.db2.gz DVIYBHQIQIPWNJ-LBPRGKRZSA-N 2 0 327.429 -0.636 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@](CO)([NH2+]CC(N)=O)C2)C1 ZINC001484847424 1126641417 /nfs/dbraw/zinc/64/14/17/1126641417.db2.gz GRHODMKFZIAMMT-WMLDXEAASA-N 2 0 340.468 -0.463 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@](CO)([NH2+]CCCS(C)(=O)=O)C1 ZINC001484848541 1126641815 /nfs/dbraw/zinc/64/18/15/1126641815.db2.gz XODDBLQWUKVDCP-OAHLLOKOSA-N 2 0 349.497 -0.684 20 0 EBADRP CNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001484847152 1126643820 /nfs/dbraw/zinc/64/38/20/1126643820.db2.gz MWNXIHDXWHCINC-INIZCTEOSA-N 2 0 326.441 -0.983 20 0 EBADRP CNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001484847154 1126643896 /nfs/dbraw/zinc/64/38/96/1126643896.db2.gz MWNXIHDXWHCINC-MRXNPFEDSA-N 2 0 326.441 -0.983 20 0 EBADRP CC(C)[C@H](C(=O)N1CCC[C@](CO)([NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001484857366 1126645546 /nfs/dbraw/zinc/64/55/46/1126645546.db2.gz YINBWZQOQLUQAH-WBVHZDCISA-N 2 0 340.468 -0.465 20 0 EBADRP CCC[N@H+](C)CC(=O)NC1(C[NH2+][C@@H]2CCCNC2=O)CCOCC1 ZINC001484870948 1126647588 /nfs/dbraw/zinc/64/75/88/1126647588.db2.gz NZOZBQASCGUCRA-CQSZACIVSA-N 2 0 340.468 -0.138 20 0 EBADRP C[NH+](C)CC1(C(=O)NC2(C[NH2+][C@@H]3CCNC3=O)CCOCC2)CC1 ZINC001484867997 1126648567 /nfs/dbraw/zinc/64/85/67/1126648567.db2.gz WDIPWYBAIKKWSU-CYBMUJFWSA-N 2 0 338.452 -0.528 20 0 EBADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001484893444 1126651122 /nfs/dbraw/zinc/65/11/22/1126651122.db2.gz BPBNNGAYZYZKAO-NWDGAFQWSA-N 2 0 339.440 -0.508 20 0 EBADRP CC[C@@H](C(=O)N1CCC(O)(C[NH2+][C@@H](C)C(N)=O)CC1)[NH+](CC)CC ZINC001484960899 1126659659 /nfs/dbraw/zinc/65/96/59/1126659659.db2.gz NXYZQTHKTNFPOL-KBPBESRZSA-N 2 0 342.484 -0.076 20 0 EBADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCN1C(=O)CNC1=O ZINC001485002277 1126662143 /nfs/dbraw/zinc/66/21/43/1126662143.db2.gz QARSOEPJKIXQJP-QWHCGFSZSA-N 2 0 339.440 -0.636 20 0 EBADRP CNC(=O)C[NH2+]CC1CC(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001485092061 1126674214 /nfs/dbraw/zinc/67/42/14/1126674214.db2.gz KAHPERBJKUFXPM-UHFFFAOYSA-N 2 0 336.440 -0.711 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC2CC(C[NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001485107578 1126675285 /nfs/dbraw/zinc/67/52/85/1126675285.db2.gz XNRYFBMSMBYZSH-IYXRBSQSSA-N 2 0 346.497 -0.638 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001485695648 1126806635 /nfs/dbraw/zinc/80/66/35/1126806635.db2.gz NBOIVYPFUBOXFI-UMSPYCQHSA-N 2 0 325.413 -0.993 20 0 EBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)[C@@H]1[NH2+]CC13CCOCC3)C2 ZINC001649062207 1126867426 /nfs/dbraw/zinc/86/74/26/1126867426.db2.gz KNDXPDDDEWHLJM-LKQDWFRTSA-N 2 0 337.420 -0.506 20 0 EBADRP O=C(NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001649085544 1126869620 /nfs/dbraw/zinc/86/96/20/1126869620.db2.gz RTJRJGIYQRFYCL-XNJGSVPQSA-N 2 0 337.420 -0.586 20 0 EBADRP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001485955223 1126921234 /nfs/dbraw/zinc/92/12/34/1126921234.db2.gz HTASBEJYDPHNGL-RYUDHWBXSA-N 2 0 339.440 -0.637 20 0 EBADRP CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)c1sccc1C[NH+](C)C ZINC001486003870 1126977642 /nfs/dbraw/zinc/97/76/42/1126977642.db2.gz ZWSXGOKJBKUOEU-LBPRGKRZSA-N 2 0 342.465 -0.422 20 0 EBADRP COc1cc(C[NH2+][C@@H](CO)CNC(=O)C[N@@H+]2CC[C@H](C)C2)ccn1 ZINC001486034869 1127004937 /nfs/dbraw/zinc/00/49/37/1127004937.db2.gz VQQFMFAFEHEYNC-DZGCQCFKSA-N 2 0 336.436 -0.001 20 0 EBADRP CO[C@@H](C[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2)C1CCC1 ZINC001486053330 1127023075 /nfs/dbraw/zinc/02/30/75/1127023075.db2.gz YVWRWQBFEMCJMH-GJZGRUSLSA-N 2 0 325.453 -0.036 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001486086140 1127029512 /nfs/dbraw/zinc/02/95/12/1127029512.db2.gz UOQVOBMEJXKXAP-NWDGAFQWSA-N 2 0 327.429 -0.637 20 0 EBADRP CNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001486125327 1127042215 /nfs/dbraw/zinc/04/22/15/1127042215.db2.gz CWZXHUYDKCTCDO-JSGCOSHPSA-N 2 0 336.440 -0.617 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(=O)NC(N)=O)[C@H]2C1 ZINC001486159998 1127052062 /nfs/dbraw/zinc/05/20/62/1127052062.db2.gz DZAUMQDQHACHMH-AVGNSLFASA-N 2 0 339.440 -0.650 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)C(C)(C)C1 ZINC001486246290 1127066575 /nfs/dbraw/zinc/06/65/75/1127066575.db2.gz IHOYDBRZTMUKQH-GFCCVEGCSA-N 2 0 341.456 -0.260 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001486266204 1127089473 /nfs/dbraw/zinc/08/94/73/1127089473.db2.gz SWJDGYQOYBTOJL-STQMWFEESA-N 2 0 328.457 -0.596 20 0 EBADRP CN(C[C@H](O)C[NH2+]C[C@H]1CCNC(=O)CC1)C(=O)CC[NH+](C)C ZINC001486298437 1127105740 /nfs/dbraw/zinc/10/57/40/1127105740.db2.gz OXUVASIELIQRPV-ZIAGYGMSSA-N 2 0 328.457 -0.737 20 0 EBADRP C[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001486309635 1127114333 /nfs/dbraw/zinc/11/43/33/1127114333.db2.gz KIRALGCCZLSWGG-CJNGLKHVSA-N 2 0 327.469 -0.102 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001486310000 1127115201 /nfs/dbraw/zinc/11/52/01/1127115201.db2.gz HWJMORJUHCEDEU-UKRRQHHQSA-N 2 0 340.468 -0.642 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CCn1cncn1)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001486314864 1127116972 /nfs/dbraw/zinc/11/69/72/1127116972.db2.gz ZCWAMOSGNZTVNR-HOCLYGCPSA-N 2 0 336.440 -0.827 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@]2(C1)CN(C(=O)CC[NH+](C)C)CCO2 ZINC001487240061 1127442730 /nfs/dbraw/zinc/44/27/30/1127442730.db2.gz YFZDKAKJFRHALM-KRWDZBQOSA-N 2 0 340.468 -0.280 20 0 EBADRP CCCNC(=O)C[NH2+][C@H](C)[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001410156446 1127617502 /nfs/dbraw/zinc/61/75/02/1127617502.db2.gz QETYXTIOMCXSAA-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP Cc1nc(C)n(CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CN(C)CCO2)n1 ZINC001410362170 1127688003 /nfs/dbraw/zinc/68/80/03/1127688003.db2.gz XGKMTYGORNUVCS-DOMZBBRYSA-N 2 0 338.456 -0.338 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001410421740 1127710431 /nfs/dbraw/zinc/71/04/31/1127710431.db2.gz HJQHHPJFUDNSTB-VXGBXAGGSA-N 2 0 327.429 -0.637 20 0 EBADRP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CC[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001410496142 1127729090 /nfs/dbraw/zinc/72/90/90/1127729090.db2.gz CNNLMLLIFRGGRI-QWHCGFSZSA-N 2 0 341.456 -0.118 20 0 EBADRP CC[C@H]([NH2+][C@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001410673515 1127805066 /nfs/dbraw/zinc/80/50/66/1127805066.db2.gz SHIRUHBOBJJGSR-STQMWFEESA-N 2 0 326.441 -0.807 20 0 EBADRP CN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001410728580 1127846339 /nfs/dbraw/zinc/84/63/39/1127846339.db2.gz NYXYEMQLACXANL-KGLIPLIRSA-N 2 0 326.441 -0.984 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]C[C@H](O)CC(F)(F)F)CC1 ZINC001410741762 1127855505 /nfs/dbraw/zinc/85/55/05/1127855505.db2.gz ZNOHZNICOOUXTN-VXGBXAGGSA-N 2 0 341.374 -0.292 20 0 EBADRP CN(C[C@H](O)C[NH2+]CC(=O)NCC1CC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001411000367 1127968536 /nfs/dbraw/zinc/96/85/36/1127968536.db2.gz HUSIPUYBVDCGQI-KGLIPLIRSA-N 2 0 326.441 -0.984 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C(C)(C)C1 ZINC001411091260 1128012344 /nfs/dbraw/zinc/01/23/44/1128012344.db2.gz HGANGFLYWPXSKS-LBPRGKRZSA-N 2 0 338.456 -0.223 20 0 EBADRP CC[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC(C)(C)C)[NH+](C)C ZINC001411093472 1128013379 /nfs/dbraw/zinc/01/33/79/1128013379.db2.gz ILNWMBXOURHFAK-OLZOCXBDSA-N 2 0 330.473 -0.350 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001411128452 1128023273 /nfs/dbraw/zinc/02/32/73/1128023273.db2.gz PSLANUZMKOIMOV-UONOGXRCSA-N 2 0 328.457 -0.642 20 0 EBADRP COc1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)on1 ZINC001411129714 1128029415 /nfs/dbraw/zinc/02/94/15/1128029415.db2.gz SAPHJLZNNZYOGN-VXGBXAGGSA-N 2 0 326.397 -0.456 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)NC(N)=O)C(C)(C)C)C1 ZINC001411220105 1128094922 /nfs/dbraw/zinc/09/49/22/1128094922.db2.gz DRMWSXSQAHXQBI-QWRGUYRKSA-N 2 0 327.429 -0.747 20 0 EBADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001411247562 1128104073 /nfs/dbraw/zinc/10/40/73/1128104073.db2.gz VDABFEIVHMZQPY-MCIGGMRASA-N 2 0 325.413 -0.755 20 0 EBADRP CC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]CC(=O)NC(=O)NC)C1 ZINC001411250213 1128104705 /nfs/dbraw/zinc/10/47/05/1128104705.db2.gz PSYNHKXYJYIWQH-UHFFFAOYSA-N 2 0 327.429 -0.637 20 0 EBADRP CCN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001411252029 1128104874 /nfs/dbraw/zinc/10/48/74/1128104874.db2.gz GRMWIFOQIJCRMF-YMAMQOFZSA-N 2 0 340.468 -0.236 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2C[C@H]3C[N@H+](CC(N)=O)C[C@@]3(C)C2)CC1 ZINC001092145444 1128185865 /nfs/dbraw/zinc/18/58/65/1128185865.db2.gz MPUTZGORKPRUKS-DYVFJYSZSA-N 2 0 338.452 -0.637 20 0 EBADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093195190 1128303937 /nfs/dbraw/zinc/30/39/37/1128303937.db2.gz NCJKJZSMMCVXFR-QLFBSQMISA-N 2 0 337.468 -0.353 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]C[C@@H]3CCOC3)nn2)C1 ZINC001093308896 1128323063 /nfs/dbraw/zinc/32/30/63/1128323063.db2.gz OHOAQXJHGZLPST-BBRMVZONSA-N 2 0 348.451 -0.118 20 0 EBADRP CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)nn1 ZINC001093322037 1128329201 /nfs/dbraw/zinc/32/92/01/1128329201.db2.gz HJILSNKPBMZQRK-DZGCQCFKSA-N 2 0 334.424 -0.366 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC(n3cc(C[NH2+]C[C@H]4CCOC4)nn3)C2)C1 ZINC001093343796 1128330650 /nfs/dbraw/zinc/33/06/50/1128330650.db2.gz QWAVMDJVRUKNRH-KGLIPLIRSA-N 2 0 348.451 -0.261 20 0 EBADRP CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)nn1 ZINC001093343652 1128331041 /nfs/dbraw/zinc/33/10/41/1128331041.db2.gz KGOCJKSIKLAQAJ-CYBMUJFWSA-N 2 0 336.440 -0.261 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187834528 1128356152 /nfs/dbraw/zinc/35/61/52/1128356152.db2.gz GAXNFCUOECWRDG-QWHCGFSZSA-N 2 0 339.440 -0.493 20 0 EBADRP CN(CCOCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)[C@@H]1CCC[NH+]1C ZINC001487582925 1128374838 /nfs/dbraw/zinc/37/48/38/1128374838.db2.gz LDEMPARKSQTVGR-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001488016978 1128513684 /nfs/dbraw/zinc/51/36/84/1128513684.db2.gz NGGGQPVNWSRJQP-KGLIPLIRSA-N 2 0 328.457 -0.596 20 0 EBADRP CC[C@H](C(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC001488029722 1128570823 /nfs/dbraw/zinc/57/08/23/1128570823.db2.gz VHHRJVHISFXQQK-MJBXVCDLSA-N 2 0 328.457 -0.596 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H](CO)NC(=O)C1CC[NH+](C)CC1 ZINC001488097050 1128598023 /nfs/dbraw/zinc/59/80/23/1128598023.db2.gz KGACULXSKNZVPI-CQSZACIVSA-N 2 0 328.457 -0.737 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001488368338 1128705668 /nfs/dbraw/zinc/70/56/68/1128705668.db2.gz ALWPNRKSAVVHSG-UONOGXRCSA-N 2 0 328.457 -0.786 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001488850066 1128858907 /nfs/dbraw/zinc/85/89/07/1128858907.db2.gz UQUXHHDTMCLIAI-HAQNSBGRSA-N 2 0 339.440 -0.732 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]([NH+](CCO)CCCO)C2)C1 ZINC001489173081 1128917000 /nfs/dbraw/zinc/91/70/00/1128917000.db2.gz ISAHDHWPEFVKAN-JKSUJKDBSA-N 2 0 327.469 -0.004 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001490197180 1129146633 /nfs/dbraw/zinc/14/66/33/1129146633.db2.gz UKTFJMMXSQOVBR-DGCLKSJQSA-N 2 0 339.440 -0.650 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001490280217 1129156502 /nfs/dbraw/zinc/15/65/02/1129156502.db2.gz VTRVPZIOJQXHFT-ZDUSSCGKSA-N 2 0 341.456 -0.246 20 0 EBADRP C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001490305366 1129160402 /nfs/dbraw/zinc/16/04/02/1129160402.db2.gz GFUCACAHAOUBLK-VXGBXAGGSA-N 2 0 327.429 -0.508 20 0 EBADRP CC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)[C@H](C)C(=O)NC(N)=O ZINC001490355007 1129172469 /nfs/dbraw/zinc/17/24/69/1129172469.db2.gz DAUULPNLHNOPEO-GFCCVEGCSA-N 2 0 339.440 -0.506 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)[C@@H](O)C1 ZINC001414057648 1131365766 /nfs/dbraw/zinc/36/57/66/1131365766.db2.gz ZZNRPRCSNWQFOE-KEYYUXOJSA-N 2 0 338.452 -0.888 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC(CCO)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001411749281 1129366041 /nfs/dbraw/zinc/36/60/41/1129366041.db2.gz GXLGPAGRTWIZKK-AWEZNQCLSA-N 2 0 340.468 -0.500 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001412639847 1129582916 /nfs/dbraw/zinc/58/29/16/1129582916.db2.gz QKNRMWXXCVPIJM-KGLIPLIRSA-N 2 0 328.457 -0.378 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001412859357 1129738467 /nfs/dbraw/zinc/73/84/67/1129738467.db2.gz KLMRJLDAVQMWSN-HUUCEWRRSA-N 2 0 340.468 -0.450 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001412879072 1129750505 /nfs/dbraw/zinc/75/05/05/1129750505.db2.gz LYVAZTQRKKIKAX-KGLIPLIRSA-N 2 0 340.468 -0.452 20 0 EBADRP CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)C12CCC[NH+]1CCC2)[NH+](C)C ZINC001412918553 1129782746 /nfs/dbraw/zinc/78/27/46/1129782746.db2.gz DLVRIOYDYNSGRN-KBPBESRZSA-N 2 0 340.468 -0.452 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H](CO)NC(=O)c1cccc2nccn21 ZINC001412936331 1129798015 /nfs/dbraw/zinc/79/80/15/1129798015.db2.gz RFQUHTYPDRYCBY-ZDUSSCGKSA-N 2 0 347.419 -0.117 20 0 EBADRP CN(C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001413237808 1129962137 /nfs/dbraw/zinc/96/21/37/1129962137.db2.gz NDYLBIZAPSYOHE-LSDHHAIUSA-N 2 0 340.468 -0.642 20 0 EBADRP CN(C[C@H](O)CNC(=O)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001413237805 1129962182 /nfs/dbraw/zinc/96/21/82/1129962182.db2.gz NDYLBIZAPSYOHE-CABCVRRESA-N 2 0 340.468 -0.642 20 0 EBADRP CN(C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001413244103 1129968412 /nfs/dbraw/zinc/96/84/12/1129968412.db2.gz YAIURIADIRWBRX-KGLIPLIRSA-N 2 0 338.452 -0.888 20 0 EBADRP CN(C[C@@H](O)CNC(=O)C[NH+]1CCCC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001413288548 1129989993 /nfs/dbraw/zinc/98/99/93/1129989993.db2.gz TVKCQQKIHCERKO-LSDHHAIUSA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)CC[NH+](C)C)CC[N@@H+]1C ZINC001413313987 1130007621 /nfs/dbraw/zinc/00/76/21/1130007621.db2.gz KISMEOGVJYLWKI-KKUMJFAQSA-N 2 0 342.484 -0.396 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCNS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001490890535 1130211538 /nfs/dbraw/zinc/21/15/38/1130211538.db2.gz XPEJCMIVHPVRBF-XDQVBPFNSA-N 2 0 346.497 -0.497 20 0 EBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC001413729412 1130245397 /nfs/dbraw/zinc/24/53/97/1130245397.db2.gz UVSNWIXXKSDOOV-CVEARBPZSA-N 2 0 341.500 -0.232 20 0 EBADRP C[C@H](C[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)CS(C)(=O)=O ZINC001491070735 1130311267 /nfs/dbraw/zinc/31/12/67/1130311267.db2.gz YQVMEYCVUXMEFT-MCIONIFRSA-N 2 0 343.493 0.000 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NCCNC(=O)[C@H]1CN(C)CCO1 ZINC001491203282 1130359554 /nfs/dbraw/zinc/35/95/54/1130359554.db2.gz MQPMVVCPWUECDO-CQSZACIVSA-N 2 0 335.408 -0.676 20 0 EBADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC001491296905 1130388914 /nfs/dbraw/zinc/38/89/14/1130388914.db2.gz GPMVEHZUCDDRDW-KGLIPLIRSA-N 2 0 348.513 -0.296 20 0 EBADRP C[NH+](C)C1(C(=O)NC2CCC([NH2+]CC(=O)NC(N)=O)CC2)CCC1 ZINC001491352141 1130407567 /nfs/dbraw/zinc/40/75/67/1130407567.db2.gz PIOJERHHTIXQII-UHFFFAOYSA-N 2 0 339.440 -0.317 20 0 EBADRP CC[C@@H](C(=O)NCCNC(=O)C(C)(C)C[NH+]1CCOCC1)[NH+](C)C ZINC001491414826 1130434896 /nfs/dbraw/zinc/43/48/96/1130434896.db2.gz CNTHYWRNQMOJJU-AWEZNQCLSA-N 2 0 342.484 -0.083 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001491567571 1130553124 /nfs/dbraw/zinc/55/31/24/1130553124.db2.gz FXSAIPNTAUFKHQ-LBPRGKRZSA-N 2 0 341.456 -0.342 20 0 EBADRP C[C@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCOCC1 ZINC001492110821 1130582793 /nfs/dbraw/zinc/58/27/93/1130582793.db2.gz SKQADOJPPJNCHA-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP CCS(=O)(=O)CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001480122858 1130760724 /nfs/dbraw/zinc/76/07/24/1130760724.db2.gz YNVKAMHUIKJLON-KGLIPLIRSA-N 2 0 331.482 -0.047 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001356730815 1130911028 /nfs/dbraw/zinc/91/10/28/1130911028.db2.gz YENPHSLFYCNSJA-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP [NH3+]CCCSCCC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001357913049 1131146391 /nfs/dbraw/zinc/14/63/91/1131146391.db2.gz NUNRMWIVBVIXHL-UHFFFAOYSA-N 2 0 343.497 -0.372 20 0 EBADRP O=C(CC[N@H+]1CC[C@@H](F)C1)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001361948291 1131485466 /nfs/dbraw/zinc/48/54/66/1131485466.db2.gz JAUOXMRSAXBRMA-HZPDHXFCSA-N 2 0 342.459 -0.057 20 0 EBADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](CCO)[C@H](CO)C2)CC1 ZINC001364529864 1132351818 /nfs/dbraw/zinc/35/18/18/1132351818.db2.gz LOJAXTOIAHOHQZ-GJZGRUSLSA-N 2 0 327.469 -0.102 20 0 EBADRP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001364647611 1132383518 /nfs/dbraw/zinc/38/35/18/1132383518.db2.gz ZRSFSNDLTXKHEU-ZIAGYGMSSA-N 2 0 335.456 -0.120 20 0 EBADRP CC[NH+]1CCC(CN(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001364684102 1132392801 /nfs/dbraw/zinc/39/28/01/1132392801.db2.gz PCGZQPIIWRRWGC-CQSZACIVSA-N 2 0 331.482 -0.047 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1)C(=O)NC(N)=O ZINC001365813700 1132814438 /nfs/dbraw/zinc/81/44/38/1132814438.db2.gz BBLPBNPBRWTHOA-RVMXOQNASA-N 2 0 339.440 -0.462 20 0 EBADRP CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001365857143 1132835395 /nfs/dbraw/zinc/83/53/95/1132835395.db2.gz KTTFUBJOMHOJKP-XQQFMLRXSA-N 2 0 341.456 -0.343 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CCNS(C)(=O)=O)CC[C@@H]2C1 ZINC001365883919 1132861879 /nfs/dbraw/zinc/86/18/79/1132861879.db2.gz YIFXQOJPAXDEIQ-KGLIPLIRSA-N 2 0 346.497 -0.732 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001366107204 1133010120 /nfs/dbraw/zinc/01/01/20/1133010120.db2.gz BDJCBJARNKXCMR-KKOKHZNYSA-N 2 0 325.413 -0.839 20 0 EBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001366132580 1133020879 /nfs/dbraw/zinc/02/08/79/1133020879.db2.gz ZMAVHMGCUKBODQ-MGPQQGTHSA-N 2 0 326.441 -0.672 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001366147557 1133026456 /nfs/dbraw/zinc/02/64/56/1133026456.db2.gz QSYMVYWTOCSUFC-NDBYEHHHSA-N 2 0 339.440 -0.321 20 0 EBADRP O=C(C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1)NC[C@H]1CCCO1 ZINC001366165476 1133035579 /nfs/dbraw/zinc/03/55/79/1133035579.db2.gz PIKWOEKWVFDDAF-QLFBSQMISA-N 2 0 338.452 -0.386 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001366194439 1133050239 /nfs/dbraw/zinc/05/02/39/1133050239.db2.gz JBRMWGOSDPZXHE-LBPRGKRZSA-N 2 0 327.429 -0.778 20 0 EBADRP CC[C@H](C(=O)NC1CCC([NH2+]CC(=O)NC(=O)NC)CC1)[NH+](C)C ZINC001366243791 1133072051 /nfs/dbraw/zinc/07/20/51/1133072051.db2.gz REBAFBUJGLBPGP-WXRRBKDZSA-N 2 0 341.456 -0.201 20 0 EBADRP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CCN1CCNC1=O ZINC001366300059 1133089896 /nfs/dbraw/zinc/08/98/96/1133089896.db2.gz ZURMJWPZLWAPHM-UONOGXRCSA-N 2 0 325.457 -0.020 20 0 EBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001366355281 1133109330 /nfs/dbraw/zinc/10/93/30/1133109330.db2.gz CCSGWCZYFQXATN-KGLIPLIRSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC1CCOCC1 ZINC001366510706 1133162276 /nfs/dbraw/zinc/16/22/76/1133162276.db2.gz QBFZAKMEQAKNQQ-UONOGXRCSA-N 2 0 340.468 -0.282 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC([C@H](C)[NH2+]CC(=O)NC(N)=O)CC1 ZINC001366787391 1133296867 /nfs/dbraw/zinc/29/68/67/1133296867.db2.gz ZJFHRPWJPWVRDD-LBPRGKRZSA-N 2 0 341.456 -0.260 20 0 EBADRP C[NH+](C)CCC(=O)NCC[C@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001366831701 1133308439 /nfs/dbraw/zinc/30/84/39/1133308439.db2.gz DHKABENHQCBVQF-AWEZNQCLSA-N 2 0 325.457 -0.209 20 0 EBADRP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001366848699 1133317910 /nfs/dbraw/zinc/31/79/10/1133317910.db2.gz ATYDSQOZVOISIF-OLZOCXBDSA-N 2 0 339.440 -0.778 20 0 EBADRP COC[C@H](O)C[NH+]1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001366969889 1133394360 /nfs/dbraw/zinc/39/43/60/1133394360.db2.gz GCMRKVKHYNBGLL-OAHLLOKOSA-N 2 0 325.453 -0.082 20 0 EBADRP CC(C)[C@H](C(=O)NCC1C[NH+](C[C@H](O)Cn2cccn2)C1)[NH+](C)C ZINC001366983351 1133402352 /nfs/dbraw/zinc/40/23/52/1133402352.db2.gz AVWVOMSTQXXTKT-JKSUJKDBSA-N 2 0 337.468 -0.122 20 0 EBADRP CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001367055439 1133457333 /nfs/dbraw/zinc/45/73/33/1133457333.db2.gz GOTWJLIECKFMBT-AWEZNQCLSA-N 2 0 348.513 -0.248 20 0 EBADRP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCOCC1 ZINC001367133751 1133484455 /nfs/dbraw/zinc/48/44/55/1133484455.db2.gz FSFVQAOPCGQCCH-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)C[NH2+]CC(=O)N(C)C ZINC001367259721 1133518897 /nfs/dbraw/zinc/51/88/97/1133518897.db2.gz IYVXUTNVNXUVPP-CQSZACIVSA-N 2 0 342.484 -0.225 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001367288264 1133527077 /nfs/dbraw/zinc/52/70/77/1133527077.db2.gz KPSYWDUCKSNBPV-NWDGAFQWSA-N 2 0 339.440 -0.732 20 0 EBADRP CNC(=O)C[NH2+]C1(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CCCC1 ZINC001367326956 1133551658 /nfs/dbraw/zinc/55/16/58/1133551658.db2.gz IVZDAPBUAAJAKL-CQSZACIVSA-N 2 0 340.468 -0.281 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)NC1CCOCC1)N(C)C(=O)CC[NH+](C)C ZINC001367375503 1133569333 /nfs/dbraw/zinc/56/93/33/1133569333.db2.gz KDKAPRJVHRTOLJ-ZDUSSCGKSA-N 2 0 328.457 -0.330 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001367390344 1133574607 /nfs/dbraw/zinc/57/46/07/1133574607.db2.gz KAYUWNMHYULQTO-QWHCGFSZSA-N 2 0 338.456 -0.371 20 0 EBADRP C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001367430746 1133587561 /nfs/dbraw/zinc/58/75/61/1133587561.db2.gz MHSJTEONFAHEBH-NWDGAFQWSA-N 2 0 327.429 -0.650 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)[C@@H](C)C1 ZINC001367454270 1133593616 /nfs/dbraw/zinc/59/36/16/1133593616.db2.gz XSAKHJBGKMFVQC-QWHCGFSZSA-N 2 0 338.456 -0.223 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1 ZINC001367454267 1133593911 /nfs/dbraw/zinc/59/39/11/1133593911.db2.gz XSAKHJBGKMFVQC-OLZOCXBDSA-N 2 0 338.456 -0.223 20 0 EBADRP CC[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)NC(=O)NC)C(C)C)[NH+](C)C ZINC001367496849 1133603884 /nfs/dbraw/zinc/60/38/84/1133603884.db2.gz XNBITLJXVOHISY-VXGBXAGGSA-N 2 0 329.445 -0.487 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC(=O)NC(N)=O)C1 ZINC001367553107 1133625759 /nfs/dbraw/zinc/62/57/59/1133625759.db2.gz GJQFYOIBUFWMDC-QWHCGFSZSA-N 2 0 339.440 -0.554 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001367585696 1133655793 /nfs/dbraw/zinc/65/57/93/1133655793.db2.gz URRCZSRUCLMIBY-AWEZNQCLSA-N 2 0 342.484 -0.204 20 0 EBADRP Cn1cncc1C[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001367593993 1133667087 /nfs/dbraw/zinc/66/70/87/1133667087.db2.gz NARNASGBSJPKSX-OAHLLOKOSA-N 2 0 335.452 -0.137 20 0 EBADRP CO[C@@H](C)C[NH2+]C[C@@H](O)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001367607539 1133686941 /nfs/dbraw/zinc/68/69/41/1133686941.db2.gz ZJXFPJWYPJQKOX-GXTWGEPZSA-N 2 0 333.392 -0.018 20 0 EBADRP CC(C)(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001367609546 1133689050 /nfs/dbraw/zinc/68/90/50/1133689050.db2.gz RBNXNLUNPKFHHF-CYBMUJFWSA-N 2 0 340.468 -0.404 20 0 EBADRP Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)COC2CC[NH+](C)CC2)n1 ZINC001367619114 1133703035 /nfs/dbraw/zinc/70/30/35/1133703035.db2.gz PVTBZLLLBYCEFF-CQSZACIVSA-N 2 0 339.440 -0.902 20 0 EBADRP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1)C(=O)NC(C)(C)C ZINC001367623390 1133709051 /nfs/dbraw/zinc/70/90/51/1133709051.db2.gz KRWAZVXNIOKNHV-CHWSQXEVSA-N 2 0 328.457 -0.548 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](O)C[NH2+]Cc1cncs1 ZINC001367628511 1133717036 /nfs/dbraw/zinc/71/70/36/1133717036.db2.gz VBJVMLBIGRRXOD-OLZOCXBDSA-N 2 0 342.465 -0.322 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C ZINC001367751807 1133771376 /nfs/dbraw/zinc/77/13/76/1133771376.db2.gz CLLDVDLLPCWXDK-NWDGAFQWSA-N 2 0 329.445 -0.345 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001367771066 1133778096 /nfs/dbraw/zinc/77/80/96/1133778096.db2.gz IFUIRHKISBRAPH-QWRGUYRKSA-N 2 0 325.413 -0.979 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(=O)NC[C@H]2CCOC2)CC1 ZINC001367991428 1133882540 /nfs/dbraw/zinc/88/25/40/1133882540.db2.gz MWFBVLUOBLHKIM-ZIAGYGMSSA-N 2 0 338.452 -0.528 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=O)NC[C@@H]2CCOC2)CC1 ZINC001367991413 1133882898 /nfs/dbraw/zinc/88/28/98/1133882898.db2.gz MWFBVLUOBLHKIM-KBPBESRZSA-N 2 0 338.452 -0.528 20 0 EBADRP O=C(C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1)NC1CCOCC1 ZINC001368036578 1133907158 /nfs/dbraw/zinc/90/71/58/1133907158.db2.gz WETJCMBZPBDQBH-UHFFFAOYSA-N 2 0 338.452 -0.384 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001368110012 1133942530 /nfs/dbraw/zinc/94/25/30/1133942530.db2.gz PQAOGJZOXSSOGU-KGLIPLIRSA-N 2 0 331.482 -0.047 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]C[C@H]2CCCN2C(=O)CC[NH+](C)C)CCO1 ZINC001368111293 1133943259 /nfs/dbraw/zinc/94/32/59/1133943259.db2.gz VHERMXXPORXDQP-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2C[NH2+]CC(=O)NC(N)=O)C1 ZINC001368121744 1133947230 /nfs/dbraw/zinc/94/72/30/1133947230.db2.gz HIVJSFCEACVBRS-VXGBXAGGSA-N 2 0 325.413 -0.896 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001368144839 1133957885 /nfs/dbraw/zinc/95/78/85/1133957885.db2.gz MFBLYOPVMBYLJD-HZPDHXFCSA-N 2 0 344.475 -0.123 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CCOCC1 ZINC001368232510 1134000538 /nfs/dbraw/zinc/00/05/38/1134000538.db2.gz YCFGFNXNTNROLU-AWEZNQCLSA-N 2 0 340.468 -0.153 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CC(=O)NC3CC3)CCOCC2)C1 ZINC001368242432 1134012398 /nfs/dbraw/zinc/01/23/98/1134012398.db2.gz UBRLBOFTTGLUHP-ZDUSSCGKSA-N 2 0 338.452 -0.528 20 0 EBADRP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001368248584 1134023076 /nfs/dbraw/zinc/02/30/76/1134023076.db2.gz JHFXSZQTHYGSKV-CJNGLKHVSA-N 2 0 340.468 -0.500 20 0 EBADRP CN1CCC[C@H]([N@@H+]2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001368254035 1134036966 /nfs/dbraw/zinc/03/69/66/1134036966.db2.gz AGBDEVZDYMHHNA-BBRMVZONSA-N 2 0 326.441 -0.888 20 0 EBADRP O=C(NC[C@]1(O)CC[N@@H+](CCCO)C1)C12CCC[NH+](CCC1)C2 ZINC001368264883 1134062589 /nfs/dbraw/zinc/06/25/89/1134062589.db2.gz ZMYLMMWOFGNWPM-QGZVFWFLSA-N 2 0 325.453 -0.202 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(CC(=O)NCC3CC3)C2)C1 ZINC001368292052 1134109455 /nfs/dbraw/zinc/10/94/55/1134109455.db2.gz XUTRLAUVXJVAQB-PBHICJAKSA-N 2 0 338.452 -0.983 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(CC(=O)NCC3CC3)C2)C1 ZINC001368292055 1134109567 /nfs/dbraw/zinc/10/95/67/1134109567.db2.gz XUTRLAUVXJVAQB-WMLDXEAASA-N 2 0 338.452 -0.983 20 0 EBADRP C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001368333614 1134153911 /nfs/dbraw/zinc/15/39/11/1134153911.db2.gz JXZJAAYKYGGUAO-NEPJUHHUSA-N 2 0 339.440 -0.650 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001368521563 1134272663 /nfs/dbraw/zinc/27/26/63/1134272663.db2.gz VMFAJLGPBQMTEP-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1 ZINC001368523278 1134273558 /nfs/dbraw/zinc/27/35/58/1134273558.db2.gz XLSRKVKNAIVBGF-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC(=O)NC(N)=O)CC1 ZINC001368523821 1134274381 /nfs/dbraw/zinc/27/43/81/1134274381.db2.gz WNSQCXOBBYBSKC-NWDGAFQWSA-N 2 0 325.413 -0.754 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001368550522 1134287736 /nfs/dbraw/zinc/28/77/36/1134287736.db2.gz QHRGQDYRUAVZKR-IJLUTSLNSA-N 2 0 325.413 -0.979 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001368562566 1134291614 /nfs/dbraw/zinc/29/16/14/1134291614.db2.gz SDYYRXWOAQQRNE-STQMWFEESA-N 2 0 341.456 -0.308 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001368565481 1134293408 /nfs/dbraw/zinc/29/34/08/1134293408.db2.gz BPQWSWRDDULFQI-HUUCEWRRSA-N 2 0 329.441 -0.705 20 0 EBADRP CCN(C)C(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001368610413 1134321020 /nfs/dbraw/zinc/32/10/20/1134321020.db2.gz FDWMUFLXPQQMJA-PBHICJAKSA-N 2 0 340.468 -0.498 20 0 EBADRP CN(C)C(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001368614109 1134324931 /nfs/dbraw/zinc/32/49/31/1134324931.db2.gz NCJLFYOMWZIPOQ-KRWDZBQOSA-N 2 0 340.468 -0.498 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CC(=O)NC)C1 ZINC001368613609 1134325774 /nfs/dbraw/zinc/32/57/74/1134325774.db2.gz LINFZILKYAHHTN-WMLDXEAASA-N 2 0 340.468 -0.450 20 0 EBADRP CN1CC[C@H]([NH2+]CC2(NC(=O)[C@H]3CCC[N@@H+]3C)CCOCC2)C1=O ZINC001368625875 1134337367 /nfs/dbraw/zinc/33/73/67/1134337367.db2.gz HKUOYELKEVRAGR-UONOGXRCSA-N 2 0 338.452 -0.434 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@](CO)([NH2+]CCn3cccn3)C2)C1 ZINC001368632977 1134345547 /nfs/dbraw/zinc/34/55/47/1134345547.db2.gz WRWKNKNSHHWXMF-WBVHZDCISA-N 2 0 335.452 -0.222 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2(C[NH2+][C@@H]3CCCNC3=O)CCOCC2)C1 ZINC001368637490 1134349229 /nfs/dbraw/zinc/34/92/29/1134349229.db2.gz NBPCVIZKNYSSOS-ZIAGYGMSSA-N 2 0 338.452 -0.528 20 0 EBADRP CCO[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NC ZINC001368657308 1134359155 /nfs/dbraw/zinc/35/91/55/1134359155.db2.gz JSHROGSNLADJCK-RBSFLKMASA-N 2 0 340.468 -0.473 20 0 EBADRP CC[C@@H](C(=O)N1CCC(O)(C[NH2+]CC(=O)N2CCC2)CC1)[NH+](C)C ZINC001368680405 1134378868 /nfs/dbraw/zinc/37/88/68/1134378868.db2.gz FVGXKZLYKHYVGF-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC(O)(C[NH2+]CC(=O)NC2CC2)CC1 ZINC001368684302 1134383200 /nfs/dbraw/zinc/38/32/00/1134383200.db2.gz SIYNQEVTJLBFNO-UHFFFAOYSA-N 2 0 340.468 -0.450 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCC(O)(C[NH2+][C@H](C)C(N)=O)CC1)[NH+](C)C ZINC001368684050 1134383442 /nfs/dbraw/zinc/38/34/42/1134383442.db2.gz RZNAGEKNDDILOC-OLZOCXBDSA-N 2 0 328.457 -0.611 20 0 EBADRP C[NH+]1CCC(CC(=O)N2CCC(O)(C[NH2+]CC(N)=O)CC2)CC1 ZINC001368688289 1134388712 /nfs/dbraw/zinc/38/87/12/1134388712.db2.gz GPXJORHKQNAKNF-UHFFFAOYSA-N 2 0 326.441 -0.853 20 0 EBADRP CC[C@H](C(=O)NC1CC(C[NH2+]CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001368811454 1134452330 /nfs/dbraw/zinc/45/23/30/1134452330.db2.gz QEAJCZPDFHVKLP-HTAVTVPLSA-N 2 0 327.429 -0.733 20 0 EBADRP C[C@@H]([NH2+]CCn1cncn1)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001368885466 1134474957 /nfs/dbraw/zinc/47/49/57/1134474957.db2.gz FROXFJJYZRNFFP-KGLIPLIRSA-N 2 0 338.456 -0.128 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001368895094 1134478197 /nfs/dbraw/zinc/47/81/97/1134478197.db2.gz PQYZONWOOJTBPL-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H](C)[NH2+]CCN(C)S(C)(=O)=O ZINC001368909568 1134481829 /nfs/dbraw/zinc/48/18/29/1134481829.db2.gz VZSWCBZJGZWBJL-CHWSQXEVSA-N 2 0 346.497 -0.544 20 0 EBADRP C[C@H](CNC(=O)Cn1ccnc1)N(C)CCN1CCCS1(=O)=O ZINC001369014277 1134519778 /nfs/dbraw/zinc/51/97/78/1134519778.db2.gz YUJDZIKTRMMBET-CYBMUJFWSA-N 2 0 343.453 -0.645 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)NC)C[C@H]21 ZINC001369135048 1134583155 /nfs/dbraw/zinc/58/31/55/1134583155.db2.gz PUZUUTXBVJDJMO-YIYPIFLZSA-N 2 0 328.432 -0.294 20 0 EBADRP CNC(=O)C[NH2+][C@@H](C)[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001369158210 1134599555 /nfs/dbraw/zinc/59/95/55/1134599555.db2.gz VWMDSJPUNHKLQC-GXTWGEPZSA-N 2 0 326.441 -0.578 20 0 EBADRP CNC(=O)C[NH2+][C@H](C)[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001369158248 1134599618 /nfs/dbraw/zinc/59/96/18/1134599618.db2.gz VWMDSJPUNHKLQC-TZMCWYRMSA-N 2 0 326.441 -0.578 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001369180415 1134608665 /nfs/dbraw/zinc/60/86/65/1134608665.db2.gz OLEGIOQBWWJVCW-XUXIUFHCSA-N 2 0 326.441 -0.687 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC001369349342 1134698016 /nfs/dbraw/zinc/69/80/16/1134698016.db2.gz QCBBKWKSVPCANV-AWEZNQCLSA-N 2 0 337.420 -0.024 20 0 EBADRP CC(C)CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001369355807 1134706775 /nfs/dbraw/zinc/70/67/75/1134706775.db2.gz TXMVDQPNHOKIGD-SOUVJXGZSA-N 2 0 342.484 -0.444 20 0 EBADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H](CO)[NH2+][C@@H]2CCNC2=O)cc1 ZINC001369367275 1134723082 /nfs/dbraw/zinc/72/30/82/1134723082.db2.gz XZYKRXHACJNMMP-HUUCEWRRSA-N 2 0 334.420 -0.683 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001369376862 1134735503 /nfs/dbraw/zinc/73/55/03/1134735503.db2.gz XQEHXEWMIMADFS-OLZOCXBDSA-N 2 0 341.456 -0.247 20 0 EBADRP C[C@H]1C[C@H]([NH2+]CCS(C)(=O)=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001369409381 1134766242 /nfs/dbraw/zinc/76/62/42/1134766242.db2.gz WSBHTHZFKGSPOK-STQMWFEESA-N 2 0 329.466 -0.294 20 0 EBADRP CN(C[C@@H](O)C[NH2+]Cc1cnns1)C(=O)C[N@H+](C)C1CCC1 ZINC001369470904 1134822532 /nfs/dbraw/zinc/82/25/32/1134822532.db2.gz IVWFZGBTRXDLOW-LBPRGKRZSA-N 2 0 327.454 -0.069 20 0 EBADRP C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)CC[NH+](C)C)C(=O)NC(C)(C)C ZINC001369478620 1134841659 /nfs/dbraw/zinc/84/16/59/1134841659.db2.gz ALLPFCMTBIMRFL-OLZOCXBDSA-N 2 0 330.473 -0.350 20 0 EBADRP CN(C[C@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001369480065 1134845911 /nfs/dbraw/zinc/84/59/11/1134845911.db2.gz MTVBEUMQOPRYHJ-TZMCWYRMSA-N 2 0 326.441 -0.984 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C)C(=O)C12CC[NH+](CC1)C2 ZINC001369484672 1134853478 /nfs/dbraw/zinc/85/34/78/1134853478.db2.gz OQPZTIIAOURINZ-ZDUSSCGKSA-N 2 0 340.468 -0.594 20 0 EBADRP CC(C)(C)[C@@H](C[NH2+]CC(N)=O)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001369549223 1134931645 /nfs/dbraw/zinc/93/16/45/1134931645.db2.gz SGOLCHBWPREJPT-CYBMUJFWSA-N 2 0 342.484 -0.049 20 0 EBADRP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001369565536 1134942749 /nfs/dbraw/zinc/94/27/49/1134942749.db2.gz GGYQXJYLPLLZDG-DGCLKSJQSA-N 2 0 339.440 -0.508 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC(=O)Nc1cnccn1)C1CC1 ZINC001370151332 1135226385 /nfs/dbraw/zinc/22/63/85/1135226385.db2.gz QOXNWTUXNBOIFH-KGLIPLIRSA-N 2 0 346.435 -0.006 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC001370315684 1135299984 /nfs/dbraw/zinc/29/99/84/1135299984.db2.gz PMSPUUNPJKWUGC-GJZGRUSLSA-N 2 0 340.468 -0.390 20 0 EBADRP Cc1cc(NC(=O)C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n(C)n1 ZINC001370409629 1135339995 /nfs/dbraw/zinc/33/99/95/1135339995.db2.gz WKDKAUYKKIJWHT-KGLIPLIRSA-N 2 0 348.451 -0.191 20 0 EBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001370493518 1135375244 /nfs/dbraw/zinc/37/52/44/1135375244.db2.gz LSEYBOKRSVIVLR-HAQNSBGRSA-N 2 0 328.376 -0.136 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001370544039 1135401946 /nfs/dbraw/zinc/40/19/46/1135401946.db2.gz PWPADXJXQNQSOG-JOCQHMNTSA-N 2 0 336.440 -0.113 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001370677517 1135485632 /nfs/dbraw/zinc/48/56/32/1135485632.db2.gz ZZWJNXNILJMCFK-UONOGXRCSA-N 2 0 340.468 -0.594 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC001370710792 1135532028 /nfs/dbraw/zinc/53/20/28/1135532028.db2.gz XZXDUKMLUOAZKY-MGPQQGTHSA-N 2 0 326.441 -0.984 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC001370710790 1135532244 /nfs/dbraw/zinc/53/22/44/1135532244.db2.gz XZXDUKMLUOAZKY-HZSPNIEDSA-N 2 0 326.441 -0.984 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+](CCNS(C)(=O)=O)C2)C1 ZINC001370787760 1135632399 /nfs/dbraw/zinc/63/23/99/1135632399.db2.gz JBBGTHDEBCDTLZ-UONOGXRCSA-N 2 0 346.497 -0.685 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001370982228 1135732541 /nfs/dbraw/zinc/73/25/41/1135732541.db2.gz KHTYLHGENRKOMV-ZIAGYGMSSA-N 2 0 342.484 -0.254 20 0 EBADRP CN(C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)C[NH+]1CCCC1 ZINC001371004896 1135762733 /nfs/dbraw/zinc/76/27/33/1135762733.db2.gz FEKKKOMDDAWXAU-UONOGXRCSA-N 2 0 326.441 -0.888 20 0 EBADRP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001371418981 1135907060 /nfs/dbraw/zinc/90/70/60/1135907060.db2.gz AAAHISXTEXVPPV-NWDGAFQWSA-N 2 0 339.440 -0.589 20 0 EBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001371434013 1135909546 /nfs/dbraw/zinc/90/95/46/1135909546.db2.gz XFJRBBPVBCVVRO-ZIAGYGMSSA-N 2 0 338.452 -0.528 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1O ZINC001371467506 1135927088 /nfs/dbraw/zinc/92/70/88/1135927088.db2.gz FWRWHDYFUCUOOC-MGPQQGTHSA-N 2 0 326.441 -0.890 20 0 EBADRP C[C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CC(=O)N(C)C1CC1 ZINC001371470834 1135928624 /nfs/dbraw/zinc/92/86/24/1135928624.db2.gz RQIAKMLKDFFFEP-KBPBESRZSA-N 2 0 340.468 -0.330 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001371472314 1135930250 /nfs/dbraw/zinc/93/02/50/1135930250.db2.gz HLTUABHUXGQIRN-STQMWFEESA-N 2 0 341.456 -0.199 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001371537758 1135960823 /nfs/dbraw/zinc/96/08/23/1135960823.db2.gz AEXKXKJKVBJVFN-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CCC[NH+](C)CC(=O)N1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001371538710 1135961442 /nfs/dbraw/zinc/96/14/42/1135961442.db2.gz ULPRYNAXQOPJHH-KGLIPLIRSA-N 2 0 328.457 -0.642 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1O ZINC001371540055 1135962100 /nfs/dbraw/zinc/96/21/00/1135962100.db2.gz CALVHEPAHHHUEV-CABCVRRESA-N 2 0 340.468 -0.498 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001371581823 1135975283 /nfs/dbraw/zinc/97/52/83/1135975283.db2.gz MFEHBTOTPPPSOF-NWDGAFQWSA-N 2 0 327.429 -0.780 20 0 EBADRP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C[C@@H](O)COC1CCOCC1 ZINC001372223698 1136145296 /nfs/dbraw/zinc/14/52/96/1136145296.db2.gz KFABSXPNHTUCLJ-HUUCEWRRSA-N 2 0 343.468 -0.457 20 0 EBADRP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C[C@H](O)CN1CCCC1=O ZINC001372477560 1136209272 /nfs/dbraw/zinc/20/92/72/1136209272.db2.gz QTSVNCUEYCSHGY-GJZGRUSLSA-N 2 0 340.468 -0.641 20 0 EBADRP CCCNC(=O)CN1CCC[C@H]1CNC(=O)[C@H]1CN(CC)CCO1 ZINC001372573033 1136236235 /nfs/dbraw/zinc/23/62/35/1136236235.db2.gz FFOWDKTWCWCEJS-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+](CC(=O)NC(=O)NC)C1 ZINC001372666939 1136263621 /nfs/dbraw/zinc/26/36/21/1136263621.db2.gz JSTKPQSQCIVODQ-GFCCVEGCSA-N 2 0 327.429 -0.778 20 0 EBADRP CN(CC[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001372987586 1136347147 /nfs/dbraw/zinc/34/71/47/1136347147.db2.gz FJBWCXWILWBTTD-ZIAGYGMSSA-N 2 0 348.451 -0.475 20 0 EBADRP CN(CCN1CC[NH+](CCCO)CC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001373259727 1136411209 /nfs/dbraw/zinc/41/12/09/1136411209.db2.gz QJVBQCBQRODHPK-MRXNPFEDSA-N 2 0 326.485 -0.071 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)CC(=O)NC(N)=O)C1 ZINC001373311956 1136425860 /nfs/dbraw/zinc/42/58/60/1136425860.db2.gz KKWAAWGSEXXKHQ-GFCCVEGCSA-N 2 0 327.429 -0.698 20 0 EBADRP CCN1CCO[C@@H](C(=O)NCCN(C)C(=O)CC[N@H+](C)CC)C1 ZINC001373474655 1136468002 /nfs/dbraw/zinc/46/80/02/1136468002.db2.gz CJKJIAYYRWOLSS-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001374108907 1136623980 /nfs/dbraw/zinc/62/39/80/1136623980.db2.gz MPAFWYOHUXHLGD-UONOGXRCSA-N 2 0 331.482 -0.141 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(N)=O)C1 ZINC001374277720 1136664416 /nfs/dbraw/zinc/66/44/16/1136664416.db2.gz PZDPSHKBFWNAJC-QWHCGFSZSA-N 2 0 341.456 -0.260 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC[C@@H]1CCOC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001374323451 1136673820 /nfs/dbraw/zinc/67/38/20/1136673820.db2.gz BQOCPLDFHYMBLL-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001374379834 1136680244 /nfs/dbraw/zinc/68/02/44/1136680244.db2.gz BJDXXELPVGGICE-RYUDHWBXSA-N 2 0 337.424 -0.896 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001374379832 1136680402 /nfs/dbraw/zinc/68/04/02/1136680402.db2.gz BJDXXELPVGGICE-NEPJUHHUSA-N 2 0 337.424 -0.896 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)[C@@H](C)C1 ZINC001374381636 1136680566 /nfs/dbraw/zinc/68/05/66/1136680566.db2.gz GEXADGRESGFAJU-STQMWFEESA-N 2 0 338.456 -0.225 20 0 EBADRP CN(CC[N@H+](C)CCN1CCNC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001374531496 1136711671 /nfs/dbraw/zinc/71/16/71/1136711671.db2.gz WEPJJKBPUFCWGR-UHFFFAOYSA-N 2 0 325.457 -0.256 20 0 EBADRP Cc1nnsc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001374606318 1136742114 /nfs/dbraw/zinc/74/21/14/1136742114.db2.gz SEJKSYDBIMZQMU-STQMWFEESA-N 2 0 339.465 -0.245 20 0 EBADRP NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001374606766 1136742266 /nfs/dbraw/zinc/74/22/66/1136742266.db2.gz TVPMPWNBULCYPE-JSGCOSHPSA-N 2 0 326.441 -0.807 20 0 EBADRP Cc1nccnc1C[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001374626697 1136758175 /nfs/dbraw/zinc/75/81/75/1136758175.db2.gz UUGJVNOPWGXVGA-AWEZNQCLSA-N 2 0 333.436 -0.020 20 0 EBADRP COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+]2CC[C@H](C)C2)nn1 ZINC001374656989 1136780203 /nfs/dbraw/zinc/78/02/03/1136780203.db2.gz QBEDRXAMPJWCKA-GXTWGEPZSA-N 2 0 337.424 -0.606 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CCCC2)C1 ZINC001374672167 1136790831 /nfs/dbraw/zinc/79/08/31/1136790831.db2.gz DWRNFPZAJCGUFB-GXTWGEPZSA-N 2 0 326.441 -0.936 20 0 EBADRP C[C@H](CC[NH2+][C@H]1CCN(C)C1=O)NC(=O)COC1CC[NH+](C)CC1 ZINC001374705466 1136808586 /nfs/dbraw/zinc/80/85/86/1136808586.db2.gz OONIITIIPBLEGW-HIFRSBDPSA-N 2 0 340.468 -0.188 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001374797678 1136835260 /nfs/dbraw/zinc/83/52/60/1136835260.db2.gz CIQNSQNXRJLKPW-CHWSQXEVSA-N 2 0 341.456 -0.343 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001374846324 1136851511 /nfs/dbraw/zinc/85/15/11/1136851511.db2.gz GRZYEPDZVCFADO-OLZOCXBDSA-N 2 0 341.456 -0.486 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001374933959 1136878871 /nfs/dbraw/zinc/87/88/71/1136878871.db2.gz RZMZVSPKLUVTNI-SRVKXCTJSA-N 2 0 329.445 -0.345 20 0 EBADRP CCN(C(=O)C(=O)NCCC[NH+](C)CCOC)[C@@H]1CC[N@H+](C)C1 ZINC000668557971 545713698 /nfs/dbraw/zinc/71/36/98/545713698.db2.gz NPUCMPDUDYYNAG-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000343769675 291078749 /nfs/dbraw/zinc/07/87/49/291078749.db2.gz AZWSBENVWLAUBA-CQSZACIVSA-N 2 0 326.441 -0.670 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CCO1 ZINC000642793872 376190814 /nfs/dbraw/zinc/19/08/14/376190814.db2.gz AMMODMFEDYIKQJ-JSGCOSHPSA-N 2 0 326.441 -0.448 20 0 EBADRP CCN(C(=O)C(=O)N[C@H]1CC[NH+](CCOC)C1)[C@H]1CC[N@H+](C)C1 ZINC000668840189 545768119 /nfs/dbraw/zinc/76/81/19/545768119.db2.gz FGYJTUDBVFPTKW-KBPBESRZSA-N 2 0 326.441 -0.624 20 0 EBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000643545229 375891530 /nfs/dbraw/zinc/89/15/30/375891530.db2.gz PQWKKBQNMMKVIH-KBXIAJHMSA-N 2 0 338.452 -0.354 20 0 EBADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)C2)CC1 ZINC000643544950 375892067 /nfs/dbraw/zinc/89/20/67/375892067.db2.gz YCZSXGZRRZCMOI-HRCADAONSA-N 2 0 334.464 -0.146 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC000632183721 376085962 /nfs/dbraw/zinc/08/59/62/376085962.db2.gz DLEYRNHBUQTLJZ-UHFFFAOYSA-N 2 0 330.498 -0.195 20 0 EBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000642733345 376058431 /nfs/dbraw/zinc/05/84/31/376058431.db2.gz FUWGBTPNKZWVIS-RDBSUJKOSA-N 2 0 326.441 -0.448 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642792269 376179921 /nfs/dbraw/zinc/17/99/21/376179921.db2.gz HKSTTWRSYNHBJI-ZIAGYGMSSA-N 2 0 326.441 -0.719 20 0 EBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(C)CCOCC[NH3+] ZINC000624409043 376212406 /nfs/dbraw/zinc/21/24/06/376212406.db2.gz OJPWGNRLFJIJTO-UHFFFAOYSA-N 2 0 347.485 -0.343 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000584172872 376218921 /nfs/dbraw/zinc/21/89/21/376218921.db2.gz IYNKNGUOUYPVDA-KFWWJZLASA-N 2 0 341.500 -0.382 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CCO1 ZINC000642879140 376439099 /nfs/dbraw/zinc/43/90/99/376439099.db2.gz RSWSQVRNRHGHMI-KBPBESRZSA-N 2 0 340.468 -0.058 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000600796254 376501124 /nfs/dbraw/zinc/50/11/24/376501124.db2.gz GPWKNJQMPIQOLN-CQSZACIVSA-N 2 0 325.457 -0.968 20 0 EBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000625896553 376615428 /nfs/dbraw/zinc/61/54/28/376615428.db2.gz NNHOOJCULQTBTM-ZDUSSCGKSA-N 2 0 335.412 -0.926 20 0 EBADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627357331 376662101 /nfs/dbraw/zinc/66/21/01/376662101.db2.gz CUNHLCRBLJBCHX-GJZGRUSLSA-N 2 0 342.484 -0.096 20 0 EBADRP C[N@H+](CCCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)C1CCCCC1 ZINC000627357717 376663178 /nfs/dbraw/zinc/66/31/78/376663178.db2.gz NWULJQKHHOPDPZ-CQSZACIVSA-N 2 0 340.468 -0.138 20 0 EBADRP CCOC(=O)[C@@H]1C[N@H+](C[C@H](O)CN(C)CCOC)CC12COC2 ZINC000583389646 376765336 /nfs/dbraw/zinc/76/53/36/376765336.db2.gz SWJDEFYNZFPKDB-KGLIPLIRSA-N 2 0 330.425 -0.563 20 0 EBADRP CC[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H](C)O1 ZINC000583426775 376796840 /nfs/dbraw/zinc/79/68/40/376796840.db2.gz RCGGMEMAJDUBHT-LSDHHAIUSA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)C(C)(C)C[NH+](C)C ZINC000566513096 376856749 /nfs/dbraw/zinc/85/67/49/376856749.db2.gz TZYBFIHEBZNWHW-YNEHKIRRSA-N 2 0 325.457 -0.084 20 0 EBADRP O=C(N1CCN([C@H]2CC[NH2+]C2)CC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000564729491 376913761 /nfs/dbraw/zinc/91/37/61/376913761.db2.gz IOJFAOGXOJGTPO-HNNXBMFYSA-N 2 0 332.452 -0.532 20 0 EBADRP C[C@@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)[NH+]1CCC(C)CC1 ZINC000562797170 376992138 /nfs/dbraw/zinc/99/21/38/376992138.db2.gz ZANAWTSMOXHXLL-AWEZNQCLSA-N 2 0 325.457 -0.162 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)CC1 ZINC000569928054 377184058 /nfs/dbraw/zinc/18/40/58/377184058.db2.gz WHRJGKYGNVXSSO-ZACQAIPSSA-N 2 0 341.496 -0.106 20 0 EBADRP Cn1ccnc1CN1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000601350335 377533388 /nfs/dbraw/zinc/53/33/88/377533388.db2.gz COEDITNMJKMRDN-OAHLLOKOSA-N 2 0 349.483 -0.507 20 0 EBADRP CC1CC[NH+](C[C@H](O)CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000601351180 377535495 /nfs/dbraw/zinc/53/54/95/377535495.db2.gz UWHPWSGTYNWFLV-JKSUJKDBSA-N 2 0 341.500 -0.376 20 0 EBADRP CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000392002447 377565033 /nfs/dbraw/zinc/56/50/33/377565033.db2.gz QIQVYFZAYPYUCE-ZIAGYGMSSA-N 2 0 346.497 -0.542 20 0 EBADRP CC[NH+]1CCC(NC(=O)CN2CCC[NH2+]C[C@H]2C(=O)OC)CC1 ZINC000592983524 377868188 /nfs/dbraw/zinc/86/81/88/377868188.db2.gz WVJRSROZUNCOIW-AWEZNQCLSA-N 2 0 326.441 -0.576 20 0 EBADRP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C[C@H]1C1CC1 ZINC000592999885 377868592 /nfs/dbraw/zinc/86/85/92/377868592.db2.gz FUFAODDBMWXKHV-BFHYXJOUSA-N 2 0 337.420 -0.194 20 0 EBADRP COC(=O)CCN1CC[C@@H]([N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)C1=O ZINC000595895604 378033002 /nfs/dbraw/zinc/03/30/02/378033002.db2.gz QANBCJUFRVKVDA-UONOGXRCSA-N 2 0 339.436 -0.162 20 0 EBADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000595958209 378038077 /nfs/dbraw/zinc/03/80/77/378038077.db2.gz YXHAXXGGJIMEFW-ZIAGYGMSSA-N 2 0 327.425 -0.259 20 0 EBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCOCCC[NH3+])C2)CC1 ZINC000599932572 378284558 /nfs/dbraw/zinc/28/45/58/378284558.db2.gz BJVLTBLGAYWYPC-OAHLLOKOSA-N 2 0 327.473 -0.227 20 0 EBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000602147942 378334243 /nfs/dbraw/zinc/33/42/43/378334243.db2.gz GPAORPFZIXMDHK-HNNXBMFYSA-N 2 0 340.468 -0.280 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000636844628 378413617 /nfs/dbraw/zinc/41/36/17/378413617.db2.gz DEJWQRVGFQKXMA-CVEARBPZSA-N 2 0 341.500 -0.374 20 0 EBADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC000627377379 378390515 /nfs/dbraw/zinc/39/05/15/378390515.db2.gz HLPKYGJEXXUSTO-HNNXBMFYSA-N 2 0 334.420 -0.531 20 0 EBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000563109466 378431665 /nfs/dbraw/zinc/43/16/65/378431665.db2.gz DAROOZKEGJPGCT-NXEZZACHSA-N 2 0 340.346 -0.781 20 0 EBADRP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000337705327 378681700 /nfs/dbraw/zinc/68/17/00/378681700.db2.gz XHIFQNJUWHELJL-DLBZAZTESA-N 2 0 336.480 -0.053 20 0 EBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000570959087 378717878 /nfs/dbraw/zinc/71/78/78/378717878.db2.gz VMGKWOMUGAREET-BFHYXJOUSA-N 2 0 326.441 -0.578 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](CCCO)C1 ZINC000565407649 378764684 /nfs/dbraw/zinc/76/46/84/378764684.db2.gz RLXKJSCGLUINEK-OAHLLOKOSA-N 2 0 342.484 -0.441 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000339634610 378961625 /nfs/dbraw/zinc/96/16/25/378961625.db2.gz DIOWHIXGTGAPLQ-HNNXBMFYSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CCN(C)C[C@H]2C[NH3+])CCCO1 ZINC000563593821 379047898 /nfs/dbraw/zinc/04/78/98/379047898.db2.gz ZAQRBFJCHVUHIF-HUUCEWRRSA-N 3 0 327.473 -0.228 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCCC[NH2+]C(C)C)C1 ZINC000563612471 379054026 /nfs/dbraw/zinc/05/40/26/379054026.db2.gz JNCNXYCMCORYTP-OAHLLOKOSA-N 2 0 342.484 -0.036 20 0 EBADRP C[NH+](C)CC1(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CCCC1 ZINC000627288347 379103781 /nfs/dbraw/zinc/10/37/81/379103781.db2.gz UJXPCIWXPUKHQA-ZDUSSCGKSA-N 2 0 326.441 -0.671 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000629816699 379157457 /nfs/dbraw/zinc/15/74/57/379157457.db2.gz HOFAFUZGCKWDIB-UHFFFAOYSA-N 2 0 326.441 -0.493 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000629816659 379157739 /nfs/dbraw/zinc/15/77/39/379157739.db2.gz OSAIKJTVZOOWJV-MRXNPFEDSA-N 2 0 326.441 -0.765 20 0 EBADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629793302 379139018 /nfs/dbraw/zinc/13/90/18/379139018.db2.gz FAKHNCFEDPEAJI-CYBMUJFWSA-N 2 0 328.457 -0.391 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627293191 379141076 /nfs/dbraw/zinc/14/10/76/379141076.db2.gz NIZMGCFQZLLKLN-HZPDHXFCSA-N 2 0 346.431 -0.518 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000629800101 379142022 /nfs/dbraw/zinc/14/20/22/379142022.db2.gz NRXOWJILONCKPV-ZIAGYGMSSA-N 2 0 328.457 -0.378 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000629800716 379144208 /nfs/dbraw/zinc/14/42/08/379144208.db2.gz ZMYGLVUNUGLZTN-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000629804315 379148098 /nfs/dbraw/zinc/14/80/98/379148098.db2.gz SUVPWSRYQIOFMH-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000571455493 379181933 /nfs/dbraw/zinc/18/19/33/379181933.db2.gz UWPUAVDLVCYYJU-UHFFFAOYSA-N 2 0 328.457 -0.342 20 0 EBADRP C[NH+]1CCN(c2cc(C(=O)NCC[N@@H+]3CC[C@H](O)C3)ccn2)CC1 ZINC000629912937 379214100 /nfs/dbraw/zinc/21/41/00/379214100.db2.gz BQGUCHHRKXRRGX-HNNXBMFYSA-N 2 0 333.436 -0.370 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CCCCCC1 ZINC000627301028 379218942 /nfs/dbraw/zinc/21/89/42/379218942.db2.gz SHWSSZGQCYGPNO-AWEZNQCLSA-N 2 0 340.468 -0.138 20 0 EBADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)([NH+](C)C)C1 ZINC000627301709 379229878 /nfs/dbraw/zinc/22/98/78/379229878.db2.gz LZOLJWXWZOZUPF-KEYYUXOJSA-N 2 0 340.468 -0.282 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627302392 379231526 /nfs/dbraw/zinc/23/15/26/379231526.db2.gz KPMDBMNTEZEJSI-AWEZNQCLSA-N 2 0 338.452 -0.386 20 0 EBADRP CCC[NH+]1CCC(CNC(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000627302835 379234055 /nfs/dbraw/zinc/23/40/55/379234055.db2.gz YTICKNRDFRVMBX-UHFFFAOYSA-N 2 0 328.457 -0.342 20 0 EBADRP C[C@@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[NH+](C)C ZINC000459034352 379243259 /nfs/dbraw/zinc/24/32/59/379243259.db2.gz COFYXMYILVJPKO-KBPBESRZSA-N 2 0 325.457 -0.116 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627333076 379345081 /nfs/dbraw/zinc/34/50/81/379345081.db2.gz STBWLYLBSBOAOT-KGLIPLIRSA-N 2 0 326.441 -0.672 20 0 EBADRP C[NH+](C)CC[C@H](NC(=O)C(=O)NC[C@H]1COCC[NH2+]1)C(C)(C)C ZINC000627326256 379332467 /nfs/dbraw/zinc/33/24/67/379332467.db2.gz KQIZMTHASIMURR-STQMWFEESA-N 2 0 328.457 -0.426 20 0 EBADRP CC1CC[NH+](CCCNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627309146 379295554 /nfs/dbraw/zinc/29/55/54/379295554.db2.gz JGMUKUOXSFLWOB-CQSZACIVSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627312237 379302713 /nfs/dbraw/zinc/30/27/13/379302713.db2.gz UGWJTRALHXFMNV-LXTVHRRPSA-N 2 0 340.468 -0.426 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C[NH2+]1 ZINC000627338625 379376414 /nfs/dbraw/zinc/37/64/14/379376414.db2.gz LRXPCLOBEVCUTG-HIFRSBDPSA-N 2 0 339.484 -0.615 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000627344585 379386632 /nfs/dbraw/zinc/38/66/32/379386632.db2.gz KRMKVVMSGDCIIE-UHFFFAOYSA-N 2 0 340.468 -0.057 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000627344911 379390549 /nfs/dbraw/zinc/39/05/49/379390549.db2.gz VLYKJSGRHKSGJF-UHFFFAOYSA-N 2 0 340.468 -0.138 20 0 EBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000269297652 379357921 /nfs/dbraw/zinc/35/79/21/379357921.db2.gz ORSLKOYNAYIXQQ-HZPDHXFCSA-N 3 0 333.436 -0.567 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621842922 379366639 /nfs/dbraw/zinc/36/66/39/379366639.db2.gz BBHAHWUCKGGSOY-CPUCHLNUSA-N 2 0 338.452 -0.447 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621839678 379367568 /nfs/dbraw/zinc/36/75/68/379367568.db2.gz WWTNOWBOPCKWOP-SUMWQHHRSA-N 2 0 338.452 -0.447 20 0 EBADRP [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)NCCCC[NH+]1CCOCC1)C2 ZINC000621844705 379370026 /nfs/dbraw/zinc/37/00/26/379370026.db2.gz VQHJNYYWFAZNDF-WMLDXEAASA-N 2 0 338.452 -0.445 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000627353086 379422325 /nfs/dbraw/zinc/42/23/25/379422325.db2.gz RHPYNKPJPKGQHZ-ZDUSSCGKSA-N 2 0 328.457 -0.473 20 0 EBADRP Nc1nc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)nc(N)[nH+]1 ZINC000623859587 379474931 /nfs/dbraw/zinc/47/49/31/379474931.db2.gz SVAPQNMANCNJDP-UHFFFAOYSA-N 2 0 348.455 -0.485 20 0 EBADRP COCC[NH+](CCOC)C1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000624215454 379530096 /nfs/dbraw/zinc/53/00/96/379530096.db2.gz LGFKTZDYTAWDIZ-UHFFFAOYSA-N 2 0 325.417 -0.740 20 0 EBADRP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)C[NH+]1CCCC1 ZINC000627398550 379579636 /nfs/dbraw/zinc/57/96/36/379579636.db2.gz PSUNSYIDXMNVTC-CYBMUJFWSA-N 2 0 326.441 -0.541 20 0 EBADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627394316 379581007 /nfs/dbraw/zinc/58/10/07/379581007.db2.gz CYSIVSVTWBNVDX-STQMWFEESA-N 2 0 326.441 -0.672 20 0 EBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@H](C)[NH3+])CC1 ZINC000627404571 379582948 /nfs/dbraw/zinc/58/29/48/379582948.db2.gz JSWJUKOETIFOGM-ZDUSSCGKSA-N 2 0 326.441 -0.447 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627422952 379590113 /nfs/dbraw/zinc/59/01/13/379590113.db2.gz ZJCHDFKGCVQQJL-KBPBESRZSA-N 2 0 340.468 -0.058 20 0 EBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627428739 379594870 /nfs/dbraw/zinc/59/48/70/379594870.db2.gz NDKZKJQOBTVKSO-KBPBESRZSA-N 2 0 326.441 -0.672 20 0 EBADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627429842 379595318 /nfs/dbraw/zinc/59/53/18/379595318.db2.gz BGZPEXCIGKILGV-OAHLLOKOSA-N 2 0 338.452 -0.671 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000627429093 379595818 /nfs/dbraw/zinc/59/58/18/379595818.db2.gz XZKWAMKCSNNEPO-SOUVJXGZSA-N 2 0 338.452 -0.387 20 0 EBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N[C@@H]1CCn3ccnc3C1)C2 ZINC000627356294 379562414 /nfs/dbraw/zinc/56/24/14/379562414.db2.gz DGKWSPUMPVFODO-JLZZUVOBSA-N 2 0 331.420 -0.228 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)CCO1 ZINC000642084340 379565906 /nfs/dbraw/zinc/56/59/06/379565906.db2.gz CTYOEAKTNIHCEI-KBPBESRZSA-N 2 0 340.468 -0.058 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627384380 379576064 /nfs/dbraw/zinc/57/60/64/379576064.db2.gz CYGJWMXFAAXQPF-CYBMUJFWSA-N 2 0 326.441 -0.528 20 0 EBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCOCCC[NH3+])C[C@H]1C ZINC000627487588 379637582 /nfs/dbraw/zinc/63/75/82/379637582.db2.gz GZDDIKNBOLLDJF-ZIAGYGMSSA-N 2 0 328.457 -0.201 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000627464635 379614113 /nfs/dbraw/zinc/61/41/13/379614113.db2.gz IFOKGSHMFVTLHY-UHFFFAOYSA-N 2 0 342.484 -0.083 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000627464733 379614948 /nfs/dbraw/zinc/61/49/48/379614948.db2.gz LRECLCPKZBJXKI-CQSZACIVSA-N 2 0 326.441 -0.575 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C[C@H]1C ZINC000627473300 379621887 /nfs/dbraw/zinc/62/18/87/379621887.db2.gz KWNXFOABTANMPR-RDBSUJKOSA-N 2 0 326.441 -0.578 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C[NH2+]1 ZINC000627479220 379626467 /nfs/dbraw/zinc/62/64/67/379626467.db2.gz YHONKHHJOSZWIW-ILXRZTDVSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH2+]1 ZINC000627479167 379626873 /nfs/dbraw/zinc/62/68/73/379626873.db2.gz XIUYMEPRHVYKNX-APIJFGDWSA-N 2 0 340.468 -0.141 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC(C)([NH3+])CC2)C1 ZINC000642222606 379744646 /nfs/dbraw/zinc/74/46/46/379744646.db2.gz FCYMEGHPYWICFC-CQSZACIVSA-N 2 0 340.468 -0.201 20 0 EBADRP COCC[N@H+](C)CCNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000171195109 379744915 /nfs/dbraw/zinc/74/49/15/379744915.db2.gz GBOVNJADWLKKGI-UHFFFAOYSA-N 2 0 329.489 -0.110 20 0 EBADRP [NH3+]CC1(CCNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000627109455 379805421 /nfs/dbraw/zinc/80/54/21/379805421.db2.gz IVPQMUAKQQDJFZ-UHFFFAOYSA-N 2 0 338.456 -0.532 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000642256989 379758090 /nfs/dbraw/zinc/75/80/90/379758090.db2.gz CNOSZMXJAIZZTE-GOEBONIOSA-N 2 0 348.447 -0.191 20 0 EBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H]3COCC[NH2+]3)C2)CC1 ZINC000626978734 379770084 /nfs/dbraw/zinc/77/00/84/379770084.db2.gz JWBCRAVHRVVIRN-ZIAGYGMSSA-N 2 0 325.457 -0.558 20 0 EBADRP C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CCO1 ZINC000631907080 379770902 /nfs/dbraw/zinc/77/09/02/379770902.db2.gz CPCQWGXCGAGABQ-KGLIPLIRSA-N 2 0 334.486 -0.998 20 0 EBADRP C[N@@H+]1CCN(CCNC(=O)NCC2([NH3+])CCOCC2)CC1(C)C ZINC000627029667 379780640 /nfs/dbraw/zinc/78/06/40/379780640.db2.gz XBNVGRCGNVOOIW-UHFFFAOYSA-N 2 0 327.473 -0.181 20 0 EBADRP C[NH2+]CCOCCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000627171785 379820626 /nfs/dbraw/zinc/82/06/26/379820626.db2.gz HVFXTHKLXLCVJB-AWEZNQCLSA-N 2 0 341.456 -0.924 20 0 EBADRP C[NH2+]CCOCCNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000627172772 379821095 /nfs/dbraw/zinc/82/10/95/379821095.db2.gz GZMPFDDOECLJNA-HNNXBMFYSA-N 2 0 328.457 -0.024 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000632187578 379825183 /nfs/dbraw/zinc/82/51/83/379825183.db2.gz CMRGKPJRWOAQTO-HOTGVXAUSA-N 2 0 344.525 -0.020 20 0 EBADRP CC[NH+]1CCN(CCC(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)CC1 ZINC000614069408 379907515 /nfs/dbraw/zinc/90/75/15/379907515.db2.gz WEBUVOLTCJHARY-QGZVFWFLSA-N 2 0 326.485 -0.071 20 0 EBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000633150001 379949096 /nfs/dbraw/zinc/94/90/96/379949096.db2.gz YPBNKTACIHIZJH-XQQFMLRXSA-N 2 0 326.441 -0.762 20 0 EBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000633149999 379949135 /nfs/dbraw/zinc/94/91/35/379949135.db2.gz YPBNKTACIHIZJH-JHJVBQTASA-N 2 0 326.441 -0.762 20 0 EBADRP C[C@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000128577678 380001579 /nfs/dbraw/zinc/00/15/79/380001579.db2.gz MBEMLNBGKMXUPB-ZBFHGGJFSA-N 2 0 329.489 -0.518 20 0 EBADRP C[C@@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000128577476 380001694 /nfs/dbraw/zinc/00/16/94/380001694.db2.gz MBEMLNBGKMXUPB-HOCLYGCPSA-N 2 0 329.489 -0.518 20 0 EBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C[C@H]1C ZINC000354671761 380077206 /nfs/dbraw/zinc/07/72/06/380077206.db2.gz KANSJSQJPYBJPW-HZSPNIEDSA-N 2 0 326.441 -0.842 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000354673863 380077869 /nfs/dbraw/zinc/07/78/69/380077869.db2.gz LEQRVLXHYJPQLL-QLFBSQMISA-N 2 0 340.468 -0.140 20 0 EBADRP C[NH+](C)CCN1C[C@H](C(=O)NCC2([NH+](C)C)CCOCC2)CC1=O ZINC000074677963 380105890 /nfs/dbraw/zinc/10/58/90/380105890.db2.gz UBSMAQZQRSEUIU-CQSZACIVSA-N 2 0 340.468 -0.377 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000355134636 380148028 /nfs/dbraw/zinc/14/80/28/380148028.db2.gz NMSQXIWZQRJUSP-CYBMUJFWSA-N 2 0 326.441 -0.576 20 0 EBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000638114301 380161733 /nfs/dbraw/zinc/16/17/33/380161733.db2.gz YMJSMFQLIQMFCW-PBHICJAKSA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)CN2CC[NH2+]CC2)cc1 ZINC000638109038 380150522 /nfs/dbraw/zinc/15/05/22/380150522.db2.gz QZJYFYAFJDSEAI-UHFFFAOYSA-N 2 0 347.463 -0.501 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000355142480 380153802 /nfs/dbraw/zinc/15/38/02/380153802.db2.gz WSSYSQXNJDDIEZ-DZGCQCFKSA-N 2 0 338.452 -0.434 20 0 EBADRP Cc1nccn1CCCNC(=O)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000340212833 380260414 /nfs/dbraw/zinc/26/04/14/380260414.db2.gz SWWIHRYDZHSSJB-HNNXBMFYSA-N 2 0 349.435 -0.369 20 0 EBADRP Cc1nnc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000548777389 380228349 /nfs/dbraw/zinc/22/83/49/380228349.db2.gz MZICQLBOZXUCFU-UHFFFAOYSA-N 2 0 342.469 -0.585 20 0 EBADRP C[C@H](C[NH+](C)C)NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000358506865 380237098 /nfs/dbraw/zinc/23/70/98/380237098.db2.gz UKOVNBOXDRMEJQ-ZIAGYGMSSA-N 2 0 325.457 -0.116 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)NS(C)(=O)=O ZINC000245203942 380238771 /nfs/dbraw/zinc/23/87/71/380238771.db2.gz PWNRPHJDMNONIO-KBPBESRZSA-N 2 0 348.513 -0.201 20 0 EBADRP CC[NH+]1CCN(CC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000360897036 380270938 /nfs/dbraw/zinc/27/09/38/380270938.db2.gz KFKPLQQYMWPTEI-UHFFFAOYSA-N 2 0 325.501 -0.234 20 0 EBADRP [NH3+]Cc1ncc(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cn1 ZINC000638218113 380285149 /nfs/dbraw/zinc/28/51/49/380285149.db2.gz DFDKTNCXCGEQJN-SNVBAGLBSA-N 2 0 332.330 -0.499 20 0 EBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000638220578 380291920 /nfs/dbraw/zinc/29/19/20/380291920.db2.gz RPJOXOJGNWJPTL-GMXVVIOVSA-N 2 0 338.374 -0.294 20 0 EBADRP Cc1cc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)no1 ZINC000556203880 380370016 /nfs/dbraw/zinc/37/00/16/380370016.db2.gz DDFSZCYMMDDCEH-UHFFFAOYSA-N 2 0 325.413 -0.449 20 0 EBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000153475435 380438048 /nfs/dbraw/zinc/43/80/48/380438048.db2.gz ZGBPBTZFYXRDKZ-KRWDZBQOSA-N 2 0 335.452 -0.124 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)CCO1 ZINC000567113941 380502082 /nfs/dbraw/zinc/50/20/82/380502082.db2.gz YYUYFRBGOHOARS-SJORKVTESA-N 2 0 343.431 -0.013 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000340479771 380512862 /nfs/dbraw/zinc/51/28/62/380512862.db2.gz NAHSZBXSEJEHBE-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000340489677 380515524 /nfs/dbraw/zinc/51/55/24/380515524.db2.gz ZELLWTFVLFXTTK-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP COCCN(C)S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000155307875 380517552 /nfs/dbraw/zinc/51/75/52/380517552.db2.gz PFJZOISKIZFQRE-UHFFFAOYSA-N 2 0 336.502 -0.233 20 0 EBADRP Cn1cc(N2CC[C@H](N3CCC[C@@H](n4cc(C[NH3+])nn4)C3)C2=O)cn1 ZINC000566300544 380461161 /nfs/dbraw/zinc/46/11/61/380461161.db2.gz MSURGGSEKMCCBB-HIFRSBDPSA-N 2 0 344.423 -0.087 20 0 EBADRP C[N@H+](CCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)C1CC1 ZINC000363221448 380463829 /nfs/dbraw/zinc/46/38/29/380463829.db2.gz QWDYYHZVSHAXGX-OAHLLOKOSA-N 2 0 339.484 -0.214 20 0 EBADRP CO[C@H](C[NH3+])C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000290196904 380464290 /nfs/dbraw/zinc/46/42/90/380464290.db2.gz QWEJLFHWYRRKBI-JKSUJKDBSA-N 2 0 348.447 -0.026 20 0 EBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000340362432 380475100 /nfs/dbraw/zinc/47/51/00/380475100.db2.gz USULDPQZASTOKT-CQSZACIVSA-N 2 0 338.452 -0.432 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638475749 380480810 /nfs/dbraw/zinc/48/08/10/380480810.db2.gz CMBZOTWQEWQPSI-INIZCTEOSA-N 2 0 345.447 -0.274 20 0 EBADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000567724032 380537250 /nfs/dbraw/zinc/53/72/50/380537250.db2.gz ULFHGYZXQBYGQS-CQSZACIVSA-N 2 0 340.468 -0.105 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H]1CCC[NH+](C)[C@H]1C ZINC000340575660 380550623 /nfs/dbraw/zinc/55/06/23/380550623.db2.gz NHWNFRHPMHTCNX-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC2)c1 ZINC000567881046 380554359 /nfs/dbraw/zinc/55/43/59/380554359.db2.gz RPWARVWRZTXMJQ-OLZOCXBDSA-N 2 0 349.435 -0.019 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000369400399 380556794 /nfs/dbraw/zinc/55/67/94/380556794.db2.gz HHFSACJJBBAWGK-JKSUJKDBSA-N 2 0 339.484 -0.214 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000340585305 380557353 /nfs/dbraw/zinc/55/73/53/380557353.db2.gz VWJVRXZIBQBFAZ-CABCVRRESA-N 2 0 342.484 -0.131 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000340585307 380558205 /nfs/dbraw/zinc/55/82/05/380558205.db2.gz VWJVRXZIBQBFAZ-HUUCEWRRSA-N 2 0 342.484 -0.131 20 0 EBADRP CN1CCN(C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H](C[NH3+])C1 ZINC000569094687 380629874 /nfs/dbraw/zinc/62/98/74/380629874.db2.gz CIWWTOHWMNHGJT-CQSZACIVSA-N 2 0 339.484 -0.674 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000340794457 380633285 /nfs/dbraw/zinc/63/32/85/380633285.db2.gz HEUIIISNHDLWBA-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP O=C(C[C@H]1CSCC[NH2+]1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000371279895 380642655 /nfs/dbraw/zinc/64/26/55/380642655.db2.gz LWWIWFOIASMCLM-CABCVRRESA-N 2 0 342.509 -0.396 20 0 EBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)NC3CC[NH+](CC4CC4)CC3)CCN2C1=O ZINC000568534908 380608228 /nfs/dbraw/zinc/60/82/28/380608228.db2.gz LEOYVZZCNFCDBW-GJZGRUSLSA-N 2 0 335.452 -0.186 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(C)CC(C)(CO)CO)C1 ZINC000370749778 380625190 /nfs/dbraw/zinc/62/51/90/380625190.db2.gz XFOBAHLEYAJFAC-HNNXBMFYSA-N 2 0 345.484 -0.618 20 0 EBADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000573206593 380664101 /nfs/dbraw/zinc/66/41/01/380664101.db2.gz GKZCDXLKJXWXHK-GJZGRUSLSA-N 3 0 339.484 -0.497 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000371724609 380669977 /nfs/dbraw/zinc/66/99/77/380669977.db2.gz SEZGDNRRBSQAAU-RRFJBIMHSA-N 2 0 326.441 -0.131 20 0 EBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000574040550 380696936 /nfs/dbraw/zinc/69/69/36/380696936.db2.gz OBODDBYQUPVSBG-OLZOCXBDSA-N 2 0 327.473 -0.629 20 0 EBADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000572951454 380650403 /nfs/dbraw/zinc/65/04/03/380650403.db2.gz VQMVYNPLDNDKCC-AWEZNQCLSA-N 2 0 341.500 -0.476 20 0 EBADRP COC[C@@]1(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000573117072 380660384 /nfs/dbraw/zinc/66/03/84/380660384.db2.gz DAQOMDKZGGSTPT-RHSMWYFYSA-N 2 0 338.452 -0.717 20 0 EBADRP O=C(NCC(=O)N1CC[NH2+]CC1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000574742267 380721467 /nfs/dbraw/zinc/72/14/67/380721467.db2.gz KPPQLVPYCHWPGC-HNNXBMFYSA-N 2 0 331.420 -0.396 20 0 EBADRP O=C(NCC[C@H]1CCC[NH2+]1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000575236053 380734333 /nfs/dbraw/zinc/73/43/33/380734333.db2.gz DKRWDBQYQBDZTB-LSDHHAIUSA-N 2 0 337.468 -0.018 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)NC[C@](C)(O)C[NH+](C)C)CC1 ZINC000121325653 380734665 /nfs/dbraw/zinc/73/46/65/380734665.db2.gz KJIDMXMTPRXZMX-INIZCTEOSA-N 2 0 329.489 -0.376 20 0 EBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@]3(C[NH3+])CCCOC3)CC2)C1=O ZINC000638856682 380774750 /nfs/dbraw/zinc/77/47/50/380774750.db2.gz RDSWYKDETLQRBZ-WMLDXEAASA-N 2 0 338.452 -0.447 20 0 EBADRP C[C@@H]1C[NH+](C[C@H](O)CNC[C@H](O)C[NH+]2CCCCC2)C[C@@H](C)O1 ZINC000576823885 380787686 /nfs/dbraw/zinc/78/76/86/380787686.db2.gz WFPHWUFGIBDDCR-WCXIOVBPSA-N 2 0 329.485 -0.107 20 0 EBADRP O=C(NC[C@@H]1CCCN(C(=O)[C@]2(F)CC[NH2+]C2)C1)[C@H]1CCC[NH2+]1 ZINC000122009042 380796196 /nfs/dbraw/zinc/79/61/96/380796196.db2.gz UAVFXRVPZXKCHF-ZENOOKHLSA-N 2 0 326.416 -0.205 20 0 EBADRP C[C@@H]1C[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H](C)O1 ZINC000580639202 380805582 /nfs/dbraw/zinc/80/55/82/380805582.db2.gz BBTLTOSIKGLRPE-QLFBSQMISA-N 2 0 342.484 -0.132 20 0 EBADRP C[C@H]1CN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC[N@@H+]1CC(C)(C)O ZINC000577368227 380818267 /nfs/dbraw/zinc/81/82/67/380818267.db2.gz HXTBWCGVBZXWMD-UONOGXRCSA-N 2 0 327.473 -0.623 20 0 EBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000577633708 380834690 /nfs/dbraw/zinc/83/46/90/380834690.db2.gz UUNZKWLWVAJVIV-OKILXGFUSA-N 2 0 341.481 -0.099 20 0 EBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638983559 380849580 /nfs/dbraw/zinc/84/95/80/380849580.db2.gz BZBQGCQUEKGNJH-ZDUSSCGKSA-N 3 0 332.408 -0.702 20 0 EBADRP O=C(CN1CCCS1(=O)=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987922 380856903 /nfs/dbraw/zinc/85/69/03/380856903.db2.gz NRJQFVFENNNFIS-UHFFFAOYSA-N 2 0 339.421 -0.535 20 0 EBADRP CN1C(=O)CC[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1=O ZINC000579346926 380984826 /nfs/dbraw/zinc/98/48/26/380984826.db2.gz YJZYGCJFSQNMFB-GFCCVEGCSA-N 2 0 327.429 -0.731 20 0 EBADRP O=C(NC1C[NH2+]C1)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000578997492 380963053 /nfs/dbraw/zinc/96/30/53/380963053.db2.gz GQSHILSHRNIZPS-GOEBONIOSA-N 2 0 328.416 -0.193 20 0 EBADRP Cn1cc(N2CCC[C@@H]([NH2+]C[C@H](O)CN3CC[NH+](C)CC3)C2)cn1 ZINC000579222682 380977237 /nfs/dbraw/zinc/97/72/37/380977237.db2.gz DCAZMRQMZAFBEQ-WBVHZDCISA-N 2 0 336.484 -0.413 20 0 EBADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCCN1CC[NH2+]CC1 ZINC000418293959 380941952 /nfs/dbraw/zinc/94/19/52/380941952.db2.gz FNIZSGXFBREZGI-HNNXBMFYSA-N 2 0 341.500 -0.232 20 0 EBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)CCN2C1=O ZINC000578669382 380946229 /nfs/dbraw/zinc/94/62/29/380946229.db2.gz KJEIKTWTUVKVBD-QLFBSQMISA-N 2 0 335.452 -0.043 20 0 EBADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000582650907 381057225 /nfs/dbraw/zinc/05/72/25/381057225.db2.gz KNZUJVFPWASTHR-CQSZACIVSA-N 2 0 325.457 -0.114 20 0 EBADRP Cn1ccnc1CN(C(=O)COC1C[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000582726946 381060192 /nfs/dbraw/zinc/06/01/92/381060192.db2.gz USOXRRPPIQCBAR-AWEZNQCLSA-N 2 0 333.436 -0.121 20 0 EBADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000617506543 381036313 /nfs/dbraw/zinc/03/63/13/381036313.db2.gz RVKUFOFSTASPNI-JKSUJKDBSA-N 2 0 325.501 -0.236 20 0 EBADRP C[C@H]1C[C@@H](C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC[NH2+]1 ZINC000581931147 381118532 /nfs/dbraw/zinc/11/85/32/381118532.db2.gz DGTXMRROWYRFIS-KBPBESRZSA-N 2 0 336.436 -0.332 20 0 EBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)CC2(C[NH3+])CC2)c1 ZINC000584411897 381130317 /nfs/dbraw/zinc/13/03/17/381130317.db2.gz VHUOANNYYUDDPO-UHFFFAOYSA-N 2 0 326.422 -0.009 20 0 EBADRP C[NH+](C)Cc1ccc(N2CCN(C(=O)COC3C[NH2+]C3)CC2)nc1 ZINC000584412980 381130709 /nfs/dbraw/zinc/13/07/09/381130709.db2.gz REHARKYBQCOWEC-UHFFFAOYSA-N 2 0 333.436 -0.220 20 0 EBADRP COC[C@@]1(CNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)CCC[NH2+]1 ZINC000418640993 381254679 /nfs/dbraw/zinc/25/46/79/381254679.db2.gz RMCWAFQVGCUTAS-ZBFHGGJFSA-N 2 0 328.457 -0.099 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H](CC[NH3+])C(F)F)CC1 ZINC000418727472 381257929 /nfs/dbraw/zinc/25/79/29/381257929.db2.gz FGEZZWHVFFQCDU-VXGBXAGGSA-N 2 0 347.410 -0.083 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000418759140 381261548 /nfs/dbraw/zinc/26/15/48/381261548.db2.gz FXXLDNYHIKUWOP-CQSZACIVSA-N 2 0 341.456 -0.830 20 0 EBADRP C[C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000347663402 381243129 /nfs/dbraw/zinc/24/31/29/381243129.db2.gz DYJFXACITDPNPM-HOTGVXAUSA-N 2 0 326.485 -0.046 20 0 EBADRP CC(C)C[C@H](NC(=O)NC[C@H]1C[NH2+]CCO1)C(=O)NCC[NH+](C)C ZINC000418777560 381269972 /nfs/dbraw/zinc/26/99/72/381269972.db2.gz YQDXPZBJKWSKPN-KGLIPLIRSA-N 2 0 343.472 -0.634 20 0 EBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000633149959 381292160 /nfs/dbraw/zinc/29/21/60/381292160.db2.gz XYHYAKJOLAFTFR-UONOGXRCSA-N 2 0 325.457 -0.970 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000418841494 381296752 /nfs/dbraw/zinc/29/67/52/381296752.db2.gz GNVSDBJXHJXGHJ-HZPDHXFCSA-N 2 0 346.431 -0.437 20 0 EBADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)[NH+](C)C)c1 ZINC000418839096 381298147 /nfs/dbraw/zinc/29/81/47/381298147.db2.gz CZXIKWIGFBLUFZ-HIFRSBDPSA-N 2 0 334.420 -0.026 20 0 EBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000347968623 381302510 /nfs/dbraw/zinc/30/25/10/381302510.db2.gz ODRAXMQUZXHTIT-GJZGRUSLSA-N 2 0 339.484 -0.709 20 0 EBADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000418855283 381306953 /nfs/dbraw/zinc/30/69/53/381306953.db2.gz URNNPCHUYFUMOL-HOTGVXAUSA-N 2 0 348.447 -0.538 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)CCC[N@@H+]1C ZINC000347760815 381274881 /nfs/dbraw/zinc/27/48/81/381274881.db2.gz LAUNSKVNTIEFCY-RDBSUJKOSA-N 2 0 326.441 -0.626 20 0 EBADRP COc1cccc([C@@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)[NH+](C)C)c1 ZINC000418870242 381321633 /nfs/dbraw/zinc/32/16/33/381321633.db2.gz YAGKRNIPLYNBGC-DZGCQCFKSA-N 2 0 334.420 -0.108 20 0 EBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000418879686 381326299 /nfs/dbraw/zinc/32/62/99/381326299.db2.gz NUUTTYHJGCJIAZ-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CCCO1 ZINC000418878774 381328740 /nfs/dbraw/zinc/32/87/40/381328740.db2.gz MGPWCSPVMDMMGX-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP O=C(C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000643478910 381329229 /nfs/dbraw/zinc/32/92/29/381329229.db2.gz OQOBALMYQDQQOF-GDBMZVCRSA-N 2 0 343.431 -0.059 20 0 EBADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)([NH+](C)C)C1 ZINC000418925023 381342385 /nfs/dbraw/zinc/34/23/85/381342385.db2.gz PVYGSMQEIHIIBU-CPUCHLNUSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CCCCCC1 ZINC000418897020 381335026 /nfs/dbraw/zinc/33/50/26/381335026.db2.gz GSRBVLGLTURGIW-AWEZNQCLSA-N 2 0 340.468 -0.138 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000418917920 381338608 /nfs/dbraw/zinc/33/86/08/381338608.db2.gz IOEXJUVZTJQMNB-CQSZACIVSA-N 2 0 326.441 -0.719 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000418919257 381339845 /nfs/dbraw/zinc/33/98/45/381339845.db2.gz KAHMHXKMYWQLFM-OAHLLOKOSA-N 2 0 340.468 -0.343 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000348019946 381312404 /nfs/dbraw/zinc/31/24/04/381312404.db2.gz QFCQYERTBNKAKZ-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)[NH+](C)C)c1 ZINC000418870245 381320902 /nfs/dbraw/zinc/32/09/02/381320902.db2.gz YAGKRNIPLYNBGC-ZFWWWQNUSA-N 2 0 334.420 -0.108 20 0 EBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000418911037 381344394 /nfs/dbraw/zinc/34/43/94/381344394.db2.gz BKEQAKIKMJRBTP-UONOGXRCSA-N 2 0 328.457 -0.569 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000418931254 381345182 /nfs/dbraw/zinc/34/51/82/381345182.db2.gz YBEFLIVPWVYOFP-KBPBESRZSA-N 2 0 326.441 -0.720 20 0 EBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000418936292 381345332 /nfs/dbraw/zinc/34/53/32/381345332.db2.gz NFLMGRCBVVYCCV-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)C1 ZINC000418916514 381346204 /nfs/dbraw/zinc/34/62/04/381346204.db2.gz HCLJYAWBNQWMAY-QLFBSQMISA-N 2 0 340.468 -0.345 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC000418916045 381346900 /nfs/dbraw/zinc/34/69/00/381346900.db2.gz GOIFXISDCXNGKP-GJZGRUSLSA-N 2 0 340.468 -0.201 20 0 EBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419080053 381361488 /nfs/dbraw/zinc/36/14/88/381361488.db2.gz OIMNVPXGTJGXBZ-KBPBESRZSA-N 2 0 326.441 -0.528 20 0 EBADRP CC1CC[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000419010049 381362196 /nfs/dbraw/zinc/36/21/96/381362196.db2.gz YAUXCFGLUZGEMY-AWEZNQCLSA-N 2 0 326.441 -0.671 20 0 EBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419083944 381363732 /nfs/dbraw/zinc/36/37/32/381363732.db2.gz XTIXPMMNUAEKMB-CABCVRRESA-N 2 0 340.468 -0.138 20 0 EBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419084662 381363984 /nfs/dbraw/zinc/36/39/84/381363984.db2.gz YXWVCZITPVKMSD-HUUCEWRRSA-N 2 0 340.468 -0.057 20 0 EBADRP [NH3+]CCNC(=O)C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000419097094 381375175 /nfs/dbraw/zinc/37/51/75/381375175.db2.gz ABVLLVLHKAEQPW-UHFFFAOYSA-N 2 0 348.447 -0.105 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000418930374 381343248 /nfs/dbraw/zinc/34/32/48/381343248.db2.gz XHJUVVIBMUTBHY-LSDHHAIUSA-N 2 0 340.468 -0.425 20 0 EBADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419123867 381384355 /nfs/dbraw/zinc/38/43/55/381384355.db2.gz QHUSRTUOSCBYRD-ZIAGYGMSSA-N 2 0 326.441 -0.447 20 0 EBADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419123865 381384779 /nfs/dbraw/zinc/38/47/79/381384779.db2.gz QHUSRTUOSCBYRD-KGLIPLIRSA-N 2 0 326.441 -0.447 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000419126424 381387275 /nfs/dbraw/zinc/38/72/75/381387275.db2.gz WPJKGRSOLLHWIB-AWEZNQCLSA-N 2 0 328.457 -0.281 20 0 EBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419164166 381391798 /nfs/dbraw/zinc/39/17/98/381391798.db2.gz LNEXKMQZMIIPLB-HOCLYGCPSA-N 2 0 348.447 -0.143 20 0 EBADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000419212935 381399405 /nfs/dbraw/zinc/39/94/05/381399405.db2.gz KUDNTWQJBHKOCS-AWEZNQCLSA-N 2 0 334.420 -0.197 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000419360466 381422513 /nfs/dbraw/zinc/42/25/13/381422513.db2.gz RVYQMMJISGPOLF-BFHYXJOUSA-N 2 0 326.441 -0.733 20 0 EBADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(=O)NCC[NH3+])cc2)CC1 ZINC000419350441 381422576 /nfs/dbraw/zinc/42/25/76/381422576.db2.gz ZQTMSPRSUBMEJP-UHFFFAOYSA-N 2 0 347.463 -0.485 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000419554559 381450348 /nfs/dbraw/zinc/45/03/48/381450348.db2.gz IBEPDSKSSOKOLB-MROQNXINSA-N 2 0 326.441 -0.186 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000419452951 381441242 /nfs/dbraw/zinc/44/12/42/381441242.db2.gz QOEMHNGBCMXZFO-KGLIPLIRSA-N 2 0 328.457 -0.486 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419533863 381448145 /nfs/dbraw/zinc/44/81/45/381448145.db2.gz JLMUTMWTIBQJGG-KBPBESRZSA-N 2 0 326.441 -0.447 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419533009 381449030 /nfs/dbraw/zinc/44/90/30/381449030.db2.gz IGTOGSIQRSISKF-UONOGXRCSA-N 2 0 326.441 -0.528 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)C1CCCC1 ZINC000419693483 381473044 /nfs/dbraw/zinc/47/30/44/381473044.db2.gz IVRLGQHEWUJZGT-AWEZNQCLSA-N 2 0 326.441 -0.528 20 0 EBADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419699058 381474791 /nfs/dbraw/zinc/47/47/91/381474791.db2.gz QQQQDAJYHKQLKV-CABCVRRESA-N 2 0 340.468 -0.282 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419595729 381461497 /nfs/dbraw/zinc/46/14/97/381461497.db2.gz XBQXNGPAAZQJQA-KBPBESRZSA-N 2 0 326.441 -0.447 20 0 EBADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)C(C)C ZINC000419660482 381465875 /nfs/dbraw/zinc/46/58/75/381465875.db2.gz CDJJZOASLVMKCB-AWEZNQCLSA-N 2 0 328.457 -0.202 20 0 EBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000419666641 381467060 /nfs/dbraw/zinc/46/70/60/381467060.db2.gz WDPQIEDNUPMUJZ-ZDUSSCGKSA-N 2 0 336.436 -0.251 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)c3cn(CCC[NH3+])nn3)CC2)c1 ZINC000583562792 381506977 /nfs/dbraw/zinc/50/69/77/381506977.db2.gz MZHRGIXUGAQPQT-UHFFFAOYSA-N 2 0 345.407 -0.007 20 0 EBADRP C[NH2+]CCNC(=O)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419862382 381510463 /nfs/dbraw/zinc/51/04/63/381510463.db2.gz BJHCCZPQRTXERY-KBPBESRZSA-N 2 0 340.468 -0.330 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)c1 ZINC000419887505 381516664 /nfs/dbraw/zinc/51/66/64/381516664.db2.gz QMDVNWNKDNNDQP-LBPRGKRZSA-N 2 0 333.392 -0.783 20 0 EBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419893804 381519488 /nfs/dbraw/zinc/51/94/88/381519488.db2.gz MSJIVGLYINEABZ-KBPBESRZSA-N 2 0 338.452 -0.434 20 0 EBADRP CC(C)[NH+](CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)C(C)C ZINC000419795210 381494338 /nfs/dbraw/zinc/49/43/38/381494338.db2.gz JBXJREMEQSKQFI-CQSZACIVSA-N 2 0 328.457 -0.284 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000419813495 381496126 /nfs/dbraw/zinc/49/61/26/381496126.db2.gz HDHBSCRUHRCCII-GJZGRUSLSA-N 2 0 339.484 -0.804 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000419836004 381502797 /nfs/dbraw/zinc/50/27/97/381502797.db2.gz BCXZSMSCNDCSHA-MGPQQGTHSA-N 2 0 326.441 -0.530 20 0 EBADRP C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000420145406 381545179 /nfs/dbraw/zinc/54/51/79/381545179.db2.gz OVSYZRYWXUVYSI-UONOGXRCSA-N 2 0 339.484 -0.663 20 0 EBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000419971401 381521505 /nfs/dbraw/zinc/52/15/05/381521505.db2.gz GHBHSGIUKKNCAK-GJZGRUSLSA-N 2 0 340.468 -0.343 20 0 EBADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000420028588 381532541 /nfs/dbraw/zinc/53/25/41/381532541.db2.gz DWQQDGLZUDYDCS-OLZOCXBDSA-N 2 0 326.441 -0.230 20 0 EBADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000420199968 381568698 /nfs/dbraw/zinc/56/86/98/381568698.db2.gz NQHARMXAPBPJPL-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)NC(=O)CN(C)CC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000351490483 381630228 /nfs/dbraw/zinc/63/02/28/381630228.db2.gz IOEXFMFWWGYMFF-UHFFFAOYSA-N 2 0 328.457 -0.642 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000572112293 381640468 /nfs/dbraw/zinc/64/04/68/381640468.db2.gz BSFPWYVFPBBYQP-INIZCTEOSA-N 2 0 338.452 -0.053 20 0 EBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000332046657 381741261 /nfs/dbraw/zinc/74/12/61/381741261.db2.gz KPOSTLLEVLJNAH-KGLIPLIRSA-N 2 0 338.452 -0.434 20 0 EBADRP CN1NN=C2C1=NCC[C@H]2C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000611975191 381749489 /nfs/dbraw/zinc/74/94/89/381749489.db2.gz YFKZIIJJCCNFMD-CYBMUJFWSA-N 2 0 335.456 -0.647 20 0 EBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000580421481 381753910 /nfs/dbraw/zinc/75/39/10/381753910.db2.gz JYUHWICDYHJTBG-RBSFLKMASA-N 2 0 339.484 -0.676 20 0 EBADRP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1CCOCC1 ZINC000572434883 381723945 /nfs/dbraw/zinc/72/39/45/381723945.db2.gz VFZGGTKFTGEPMR-CQSZACIVSA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C[C@H]1[NH3+] ZINC000332250144 381768862 /nfs/dbraw/zinc/76/88/62/381768862.db2.gz CGCPGAKEHZSXNB-DZGCQCFKSA-N 2 0 338.452 -0.637 20 0 EBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000612548633 381839854 /nfs/dbraw/zinc/83/98/54/381839854.db2.gz PBVHLLSMLIDFID-HNNXBMFYSA-N 3 0 341.500 -0.461 20 0 EBADRP COCCN1CCN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000612326787 381809556 /nfs/dbraw/zinc/80/95/56/381809556.db2.gz BPUJNCHBWWVHIO-UHFFFAOYSA-N 2 0 341.500 -0.014 20 0 EBADRP C[C@@H]1C[C@@H](C[NH+]2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC[NH2+]1 ZINC000332552961 381813476 /nfs/dbraw/zinc/81/34/76/381813476.db2.gz QYTPXWMPHCGUBO-CABCVRRESA-N 2 0 338.452 -0.623 20 0 EBADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000333252897 381901632 /nfs/dbraw/zinc/90/16/32/381901632.db2.gz KQTXIUXFCQDNFG-LSDHHAIUSA-N 2 0 341.500 -0.281 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000627462777 381904541 /nfs/dbraw/zinc/90/45/41/381904541.db2.gz CMGIKMADMZCLDV-UHFFFAOYSA-N 2 0 328.457 -0.471 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643509772 381928250 /nfs/dbraw/zinc/92/82/50/381928250.db2.gz SCFMJUCNMPGQHS-LSDHHAIUSA-N 3 0 339.484 -0.851 20 0 EBADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)CC[NH2+]CC2 ZINC000333559895 381934221 /nfs/dbraw/zinc/93/42/21/381934221.db2.gz KURDAYUDSLCVEC-LLVKDONJSA-N 2 0 349.435 -0.687 20 0 EBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000333712892 381952251 /nfs/dbraw/zinc/95/22/51/381952251.db2.gz SOWJXNTWFRBOFS-RBSFLKMASA-N 2 0 337.468 -0.068 20 0 EBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000333712891 381953240 /nfs/dbraw/zinc/95/32/40/381953240.db2.gz SOWJXNTWFRBOFS-QLFBSQMISA-N 2 0 337.468 -0.068 20 0 EBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000643532482 382048323 /nfs/dbraw/zinc/04/83/23/382048323.db2.gz IPLHPTWMNPPKIK-ZJIFWQFVSA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@@H]1[C@H](NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCC[N@@H+]1C ZINC000418013891 382066410 /nfs/dbraw/zinc/06/64/10/382066410.db2.gz ZZIUZDMHAFNAFF-HZSPNIEDSA-N 2 0 325.457 -0.034 20 0 EBADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000430591329 382021242 /nfs/dbraw/zinc/02/12/42/382021242.db2.gz DZQQNENJJDZBPH-LBPRGKRZSA-N 2 0 336.440 -0.261 20 0 EBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000643516788 382021582 /nfs/dbraw/zinc/02/15/82/382021582.db2.gz VCADIJJVACKIFX-OWCLPIDISA-N 2 0 349.479 -0.812 20 0 EBADRP CN(CCC[NH+]1CCN(C)CC1)CC(=O)NCC(=O)NC(C)(C)C ZINC000352772573 382030405 /nfs/dbraw/zinc/03/04/05/382030405.db2.gz RFHRRULTTZVTQQ-UHFFFAOYSA-N 2 0 341.500 -0.413 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C[C@H](C)O)C[C@H]2C)C1 ZINC000353554931 382156533 /nfs/dbraw/zinc/15/65/33/382156533.db2.gz YGXPOKJPITTXBU-ILXRZTDVSA-N 2 0 328.457 -0.196 20 0 EBADRP O[C@H](CN[C@H]1CC[N@H+](CCN2CCOCC2)C1)C[NH+]1CCCC1 ZINC000629562677 382225396 /nfs/dbraw/zinc/22/53/96/382225396.db2.gz CGLXLRDQTHBSCC-DLBZAZTESA-N 2 0 326.485 -0.561 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000343014984 285009114 /nfs/dbraw/zinc/00/91/14/285009114.db2.gz LXMILXNAHXMWKK-UKRRQHHQSA-N 2 0 340.468 -0.188 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CS(=O)(=O)N(C)C ZINC000344893586 285276920 /nfs/dbraw/zinc/27/69/20/285276920.db2.gz SXOIGBOWHBEEAS-AWEZNQCLSA-N 2 0 348.513 -0.248 20 0 EBADRP NC(=O)NCCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299614522 155163073 /nfs/dbraw/zinc/16/30/73/155163073.db2.gz YFTBDWNSFAYGRR-UHFFFAOYSA-N 2 0 334.424 -0.232 20 0 EBADRP CO[C@H]1C[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)[N@H+](C)C1 ZINC000329024607 286082833 /nfs/dbraw/zinc/08/28/33/286082833.db2.gz NJEATEJXLSMCNZ-ZNMIVQPWSA-N 2 0 338.452 -0.530 20 0 EBADRP OC[C@@H]1C[C@H](O)C[NH+]1Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2CO)cc1 ZINC000186513036 154144560 /nfs/dbraw/zinc/14/45/60/154144560.db2.gz LNBQWYASLWMKTL-XSLAGTTESA-N 2 0 336.432 -0.458 20 0 EBADRP CCN1CCO[C@@H](C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000261675744 154196439 /nfs/dbraw/zinc/19/64/39/154196439.db2.gz CGBTVDISTMFJGV-NEPJUHHUSA-N 2 0 338.374 -0.341 20 0 EBADRP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000261681998 154196557 /nfs/dbraw/zinc/19/65/57/154196557.db2.gz IEBAROZKUOPQLD-ZIAGYGMSSA-N 2 0 346.497 -0.555 20 0 EBADRP CN(C1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1)S(C)(=O)=O ZINC000262081697 154211766 /nfs/dbraw/zinc/21/17/66/154211766.db2.gz KTWNXIRFQNFDLD-UHFFFAOYSA-N 2 0 332.470 -0.836 20 0 EBADRP CO[C@@H](C[NH3+])CC(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000262826931 154249095 /nfs/dbraw/zinc/24/90/95/154249095.db2.gz HLNYOVKGIJNFKV-OAHLLOKOSA-N 2 0 336.436 -0.042 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000263236050 154256796 /nfs/dbraw/zinc/25/67/96/154256796.db2.gz JOQYCJYKLBAERZ-ZFWWWQNUSA-N 2 0 326.441 -0.733 20 0 EBADRP Cn1ccnc1N1CCN(CC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000266961916 154360154 /nfs/dbraw/zinc/36/01/54/154360154.db2.gz WZTZHIUQCPMQKZ-UHFFFAOYSA-N 2 0 348.329 -0.070 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000339413887 292333688 /nfs/dbraw/zinc/33/36/88/292333688.db2.gz XCYDJNANTFVEJO-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]([NH3+])CCC(=O)OC)CC1 ZINC000342691349 156052433 /nfs/dbraw/zinc/05/24/33/156052433.db2.gz HHJZPDDZSBKNBB-ZDUSSCGKSA-N 2 0 342.440 -0.721 20 0 EBADRP CC(C)[C@@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)[NH+]1CCN(C)CC1 ZINC000343436615 156134040 /nfs/dbraw/zinc/13/40/40/156134040.db2.gz DDEFAAISNCNTJT-IAGOWNOFSA-N 2 0 337.512 -0.236 20 0 EBADRP COC(=O)CC[C@H]([NH3+])C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000343455497 156137389 /nfs/dbraw/zinc/13/73/89/156137389.db2.gz JCESUPZPRUIYDC-AWEZNQCLSA-N 2 0 349.435 -0.270 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000343636135 156148196 /nfs/dbraw/zinc/14/81/96/156148196.db2.gz HZXHTPHTJIAYMS-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCC[NH+](C)C1CCCC1 ZINC000343673843 156155694 /nfs/dbraw/zinc/15/56/94/156155694.db2.gz MQTJKCOKVFKKOK-HNNXBMFYSA-N 2 0 339.484 -0.661 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000343864474 156174898 /nfs/dbraw/zinc/17/48/98/156174898.db2.gz QMOSAARRKACFIS-DLBZAZTESA-N 2 0 337.512 -0.234 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000343880921 156176986 /nfs/dbraw/zinc/17/69/86/156176986.db2.gz CCFKIANNAXBESJ-IHRRRGAJSA-N 2 0 338.452 -0.435 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000343882627 156178296 /nfs/dbraw/zinc/17/82/96/156178296.db2.gz DWSFURLRGBJWNY-ZFWWWQNUSA-N 2 0 338.452 -0.482 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000343889983 156180546 /nfs/dbraw/zinc/18/05/46/156180546.db2.gz MCNIUYSQWRBRRV-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+]1CCN(CC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000346057477 156379905 /nfs/dbraw/zinc/37/99/05/156379905.db2.gz GZUYMKXFVJSOPI-OAHLLOKOSA-N 2 0 339.484 -0.673 20 0 EBADRP CC(C)N1CC[C@@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)C1=O ZINC000356626540 157080557 /nfs/dbraw/zinc/08/05/57/157080557.db2.gz GWKVKUNHCRRLCX-MRXNPFEDSA-N 2 0 326.485 -0.025 20 0 EBADRP CC(C)OCCOC[C@H](O)CN(C)CC(=O)N1CCN(C)CC1 ZINC000357304551 157134999 /nfs/dbraw/zinc/13/49/99/157134999.db2.gz JUXDUKJGGBMHEW-OAHLLOKOSA-N 2 0 331.457 -0.505 20 0 EBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(CCOC)CC1 ZINC000357970713 157192238 /nfs/dbraw/zinc/19/22/38/157192238.db2.gz CYKTXZYQXOULKH-UHFFFAOYSA-N 2 0 328.457 -0.375 20 0 EBADRP C[C@@H]1C[NH+](C[C@@H](O)CN2CC[NH+](CC(C)(C)O)CC2)C[C@@H](C)O1 ZINC000358523160 157254855 /nfs/dbraw/zinc/25/48/55/157254855.db2.gz DKIQEMUSCXOXRH-OAGGEKHMSA-N 2 0 329.485 -0.155 20 0 EBADRP C[N@@H+]1CC[C@](O)(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000358702372 157271611 /nfs/dbraw/zinc/27/16/11/157271611.db2.gz JNUHNWBETZSWCM-VYDXJSESSA-N 2 0 340.468 -0.270 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)NC[C@]2(O)CC[N@H+](C)C2)C[C@@H](C)O1 ZINC000358686065 157271869 /nfs/dbraw/zinc/27/18/69/157271869.db2.gz TYUUBPYLLONUMD-IIAWOOMASA-N 2 0 328.457 -0.149 20 0 EBADRP COCC1(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC[NH2+]CC1 ZINC000358860795 157282200 /nfs/dbraw/zinc/28/22/00/157282200.db2.gz RGKPYOQYWNQNIW-CQSZACIVSA-N 2 0 340.468 -0.294 20 0 EBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCCN1CCOC[C@H]1C ZINC000359264461 157306816 /nfs/dbraw/zinc/30/68/16/157306816.db2.gz OXIYPHHBPUWXKI-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP O[C@@H]1CC[NH+](CCNc2cc(NCC[N@H+]3CC[C@@H](O)C3)ncn2)C1 ZINC000624677937 415418856 /nfs/dbraw/zinc/41/88/56/415418856.db2.gz AYTGZBYIHWKTCA-ZIAGYGMSSA-N 2 0 336.440 -0.566 20 0 EBADRP C[NH2+]CCN(C)C(=O)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000419062955 418956434 /nfs/dbraw/zinc/95/64/34/418956434.db2.gz HJDYZULZACOAOD-BETUJISGSA-N 2 0 328.457 -0.332 20 0 EBADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000518531910 419025538 /nfs/dbraw/zinc/02/55/38/419025538.db2.gz HLVFQSBBOUOCHR-IJEWVQPXSA-N 2 0 338.452 -0.401 20 0 EBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000653116573 418990395 /nfs/dbraw/zinc/99/03/95/418990395.db2.gz LZYXDYTVOKLBKD-CQSZACIVSA-N 2 0 325.457 -0.968 20 0 EBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000342979005 545920856 /nfs/dbraw/zinc/92/08/56/545920856.db2.gz SBSBQWMVSVAQCY-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP CN(Cc1c[nH]cn1)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000658926602 418998664 /nfs/dbraw/zinc/99/86/64/418998664.db2.gz DSWHOQAKCQGUOJ-CQSZACIVSA-N 2 0 337.424 -0.063 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CCO1 ZINC000642800842 419011741 /nfs/dbraw/zinc/01/17/41/419011741.db2.gz XODPMGMRRDMVBM-NWANDNLSSA-N 2 0 338.452 -0.306 20 0 EBADRP C[C@H](NC(=O)N1CC(N2CC[C@@H](O)C2)C1)[C@H](C)N1CCOCC1 ZINC000650850353 419081630 /nfs/dbraw/zinc/08/16/30/419081630.db2.gz NHEHSRZJVUCQQY-KCQAQPDRSA-N 2 0 326.441 -0.444 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000647597837 419122240 /nfs/dbraw/zinc/12/22/40/419122240.db2.gz SSXDAJDBTUSTHH-RRFJBIMHSA-N 2 0 340.468 -0.201 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000653261680 419057340 /nfs/dbraw/zinc/05/73/40/419057340.db2.gz VZJGKIQIRPWHTP-FQLMCAECSA-N 2 0 340.468 -0.027 20 0 EBADRP C[C@@H](NC(=O)C(=O)NCCC1(C[NH3+])CC1)[C@@H](C)N1CCOCC1 ZINC000652690486 419062379 /nfs/dbraw/zinc/06/23/79/419062379.db2.gz IVRVQXUGPUIRQK-CHWSQXEVSA-N 2 0 326.441 -0.543 20 0 EBADRP CC[C@H](CNS(C)(=O)=O)[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000644657415 419171181 /nfs/dbraw/zinc/17/11/81/419171181.db2.gz MDTWFVRYAZGQTF-XJFOESAGSA-N 2 0 337.486 -0.626 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000651328032 419187383 /nfs/dbraw/zinc/18/73/83/419187383.db2.gz OQQGMTOCIHXVTG-CYBMUJFWSA-N 2 0 334.486 -0.590 20 0 EBADRP CN(CC1C[NH+](C)C1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000660585426 419251462 /nfs/dbraw/zinc/25/14/62/419251462.db2.gz QXHKXLLVISMZMM-AWEZNQCLSA-N 2 0 325.457 -0.223 20 0 EBADRP O=C([C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)C1)N1CC[NH2+]CC1 ZINC000647692211 419209996 /nfs/dbraw/zinc/20/99/96/419209996.db2.gz DREALZKKSCIPAQ-CHWSQXEVSA-N 2 0 344.406 -0.098 20 0 EBADRP CN(C[C@@H](O)CN1CCOCC1)C(=O)NCCC1CC[NH2+]CC1 ZINC000652314826 419232814 /nfs/dbraw/zinc/23/28/14/419232814.db2.gz HKQDPMNIVQJAGS-OAHLLOKOSA-N 2 0 328.457 -0.289 20 0 EBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCN(C[C@H](C)O)CC2)C1 ZINC000411029132 419287415 /nfs/dbraw/zinc/28/74/15/419287415.db2.gz PVWBQQKVTDBWSW-LSDHHAIUSA-N 2 0 340.468 -0.548 20 0 EBADRP CNC(=O)CN1CCC(NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000644998496 419287535 /nfs/dbraw/zinc/28/75/35/419287535.db2.gz UIYLNJSYBCWJAZ-DZGCQCFKSA-N 2 0 337.468 -0.068 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cn1 ZINC000645031987 419288700 /nfs/dbraw/zinc/28/87/00/419288700.db2.gz CJFOEHFHJHJMBO-DZGCQCFKSA-N 2 0 348.451 -0.064 20 0 EBADRP CC(C)[NH+](C)CC(=O)N(C)C[C@@H](O)CNC(=O)C[N@@H+](C)C(C)C ZINC000647809935 419307628 /nfs/dbraw/zinc/30/76/28/419307628.db2.gz CMFNLJGTZHPIRF-AWEZNQCLSA-N 2 0 330.473 -0.398 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH+]2CCCC2)C[C@H]1C[NH3+] ZINC000652729111 419323356 /nfs/dbraw/zinc/32/33/56/419323356.db2.gz RPPVMDKAVYEUFB-HUUCEWRRSA-N 2 0 340.468 -0.247 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C[C@H]1C[NH3+] ZINC000652728354 419321674 /nfs/dbraw/zinc/32/16/74/419321674.db2.gz HAVXFPOKQZNLQA-QLFBSQMISA-N 2 0 338.452 -0.495 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)C[C@H]1C[NH3+] ZINC000652728641 419321992 /nfs/dbraw/zinc/32/19/92/419321992.db2.gz UKBHRCASNADHCJ-ZIAGYGMSSA-N 2 0 326.441 -0.637 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H](C)C1=CC[NH+](C)CC1 ZINC000340574267 419362557 /nfs/dbraw/zinc/36/25/57/419362557.db2.gz FRBRDSWYBLJXCT-CQSZACIVSA-N 2 0 340.468 -0.163 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000653392923 419366016 /nfs/dbraw/zinc/36/60/16/419366016.db2.gz OBNWHAWJVAJCAH-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCCOCC[NH+](C)C ZINC000653416125 419436534 /nfs/dbraw/zinc/43/65/34/419436534.db2.gz IUFUKKJOPFYVQF-UHFFFAOYSA-N 2 0 328.457 -0.375 20 0 EBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000653427185 419550852 /nfs/dbraw/zinc/55/08/52/419550852.db2.gz GYMPQVSCIHIUOV-GJZGRUSLSA-N 2 0 342.484 -0.084 20 0 EBADRP CN(C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347960563 419494855 /nfs/dbraw/zinc/49/48/55/419494855.db2.gz HTCWFLFKFBIDNL-HUUCEWRRSA-N 2 0 337.468 -0.957 20 0 EBADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000333766440 419592619 /nfs/dbraw/zinc/59/26/19/419592619.db2.gz BJBYDINNFKGSKI-KGLIPLIRSA-N 2 0 328.457 -0.149 20 0 EBADRP C[C@@H](NC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CN(C)CCO1 ZINC000655710022 419624060 /nfs/dbraw/zinc/62/40/60/419624060.db2.gz RWJFFJDPQSDPAG-KBXIAJHMSA-N 2 0 326.441 -0.132 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659700695 419742869 /nfs/dbraw/zinc/74/28/69/419742869.db2.gz RRKBZMYMBMFRRR-YNEHKIRRSA-N 2 0 330.404 -0.889 20 0 EBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000659740644 419805134 /nfs/dbraw/zinc/80/51/34/419805134.db2.gz JHJOIPGPRSYMPI-SOUVJXGZSA-N 2 0 340.468 -0.202 20 0 EBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000419960554 419821252 /nfs/dbraw/zinc/82/12/52/419821252.db2.gz WILJGMUABYRDFK-UONOGXRCSA-N 2 0 340.468 -0.330 20 0 EBADRP CNC(=O)[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000420975593 419854328 /nfs/dbraw/zinc/85/43/28/419854328.db2.gz OKDRKRDQBPYDPA-GJZGRUSLSA-N 2 0 340.468 -0.473 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000422295800 419878565 /nfs/dbraw/zinc/87/85/65/419878565.db2.gz OAGMWVLONFSYOD-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000422295798 419880523 /nfs/dbraw/zinc/88/05/23/419880523.db2.gz OAGMWVLONFSYOD-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N(CCOC)CC[NH+](C)C)C1 ZINC000423259530 419925343 /nfs/dbraw/zinc/92/53/43/419925343.db2.gz FFEZAJGUANVAEN-CQSZACIVSA-N 2 0 328.457 -0.519 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000423260888 419926274 /nfs/dbraw/zinc/92/62/74/419926274.db2.gz IPTJDRIRESMVQX-RRFJBIMHSA-N 2 0 340.468 -0.391 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000423255917 419926855 /nfs/dbraw/zinc/92/68/55/419926855.db2.gz DCUQFIGBLSHLPX-UHFFFAOYSA-N 2 0 333.392 -0.829 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC[NH2+]1 ZINC000423219173 419927220 /nfs/dbraw/zinc/92/72/20/419927220.db2.gz WJJAZISFWVJACH-KGLIPLIRSA-N 2 0 326.441 -0.624 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C(N)=O)c1 ZINC000527124056 419938602 /nfs/dbraw/zinc/93/86/02/419938602.db2.gz DOJWGHQYBIAESQ-UHFFFAOYSA-N 2 0 349.435 -0.324 20 0 EBADRP O=C(C[NH2+]C[C@H]1CCCO1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009488 420531149 /nfs/dbraw/zinc/53/11/49/420531149.db2.gz NALKOIMLVCZIOX-JKSUJKDBSA-N 2 0 340.468 -0.722 20 0 EBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009485 420531702 /nfs/dbraw/zinc/53/17/02/420531702.db2.gz NALKOIMLVCZIOX-CVEARBPZSA-N 2 0 340.468 -0.722 20 0 EBADRP CNC(=O)[C@@]1(C(F)(F)F)CCN(C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000653777186 420667762 /nfs/dbraw/zinc/66/77/62/420667762.db2.gz KLBBQPKNGHUOSI-WCQYABFASA-N 2 0 341.374 -0.074 20 0 EBADRP CNC(=O)[C@H]1CCC[NH+]1CCOCC[N@H+]1CCC[C@@H]1C(=O)NC ZINC000178612693 420690480 /nfs/dbraw/zinc/69/04/80/420690480.db2.gz UPBBAACUDZPSCH-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000646803699 420694440 /nfs/dbraw/zinc/69/44/40/420694440.db2.gz DJOBKTWGURYLEL-GLKRBJQHSA-N 2 0 349.439 -0.315 20 0 EBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529341671 420762664 /nfs/dbraw/zinc/76/26/64/420762664.db2.gz KCJOLEPGTTUOMB-CABCVRRESA-N 2 0 326.441 -0.225 20 0 EBADRP O=C(NCC[C@H]1CCC[NH2+]1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529336812 420763133 /nfs/dbraw/zinc/76/31/33/420763133.db2.gz ICHUTRWDTPXSOT-CQSZACIVSA-N 2 0 338.456 -0.519 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529345211 420763464 /nfs/dbraw/zinc/76/34/64/420763464.db2.gz WHGKTBNNFVEQHV-QWHCGFSZSA-N 2 0 326.445 -0.535 20 0 EBADRP O=C(NC[C@H]1C[NH2+]CCO1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529341676 420763776 /nfs/dbraw/zinc/76/37/76/420763776.db2.gz KCJOLEPGTTUOMB-HUUCEWRRSA-N 2 0 326.441 -0.225 20 0 EBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000529345279 420763801 /nfs/dbraw/zinc/76/38/01/420763801.db2.gz UPIXYPCMNHKCFZ-ZIAGYGMSSA-N 2 0 338.456 -0.534 20 0 EBADRP CC[N@H+](CCO)CCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000183979268 420706974 /nfs/dbraw/zinc/70/69/74/420706974.db2.gz VDYIHUDSJZKOEF-UHFFFAOYSA-N 2 0 335.452 -0.123 20 0 EBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649330350 420802447 /nfs/dbraw/zinc/80/24/47/420802447.db2.gz SPZSHSDOENEXHD-UHFFFAOYSA-N 2 0 326.441 -0.576 20 0 EBADRP CN1CCN(c2cc[nH+]cc2NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000649351764 420804904 /nfs/dbraw/zinc/80/49/04/420804904.db2.gz PVPIITWCAHJHOB-ZDUSSCGKSA-N 2 0 346.435 -0.360 20 0 EBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000649350679 420805201 /nfs/dbraw/zinc/80/52/01/420805201.db2.gz YJTPRUZEUGULAP-GJZGRUSLSA-N 2 0 349.483 -0.214 20 0 EBADRP CC(C)[C@H](C(=O)N[C@H](CO)CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC000649473796 420810225 /nfs/dbraw/zinc/81/02/25/420810225.db2.gz INQPNFMSEMRWQA-SOUVJXGZSA-N 2 0 344.500 -0.248 20 0 EBADRP C[NH+]1CCN(C(C)(C)CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654364251 420825401 /nfs/dbraw/zinc/82/54/01/420825401.db2.gz SFDPVAXLWRQHIN-LSDHHAIUSA-N 2 0 339.484 -0.527 20 0 EBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654433134 420828315 /nfs/dbraw/zinc/82/83/15/420828315.db2.gz WKXZJVFKEZTWKV-QLFBSQMISA-N 2 0 325.457 -0.917 20 0 EBADRP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)C1=O ZINC000656478785 420897029 /nfs/dbraw/zinc/89/70/29/420897029.db2.gz QOJCESNWNFBHKM-RDBSUJKOSA-N 2 0 336.436 -0.334 20 0 EBADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655956207 420860190 /nfs/dbraw/zinc/86/01/90/420860190.db2.gz PSZIRAZEDQGIOZ-JKSUJKDBSA-N 2 0 344.415 -0.452 20 0 EBADRP C[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656023193 420866266 /nfs/dbraw/zinc/86/62/66/420866266.db2.gz YDBGXFOGKKGEAE-NMKXLXIOSA-N 2 0 326.441 -0.546 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656022203 420866400 /nfs/dbraw/zinc/86/64/00/420866400.db2.gz UXBSSCLGSJXJHP-BYNSBNAKSA-N 2 0 340.468 -0.284 20 0 EBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656020252 420866689 /nfs/dbraw/zinc/86/66/89/420866689.db2.gz PFJLQTOGJFCLSP-MQYQWHSLSA-N 2 0 326.441 -0.532 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656020291 420866989 /nfs/dbraw/zinc/86/69/89/420866989.db2.gz POMCDUJJULZSMH-APIJFGDWSA-N 2 0 340.468 -0.284 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656022195 420867307 /nfs/dbraw/zinc/86/73/07/420867307.db2.gz URWQXSIXLLRXPF-XDYZINJXSA-N 2 0 340.468 -0.014 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656040597 420868195 /nfs/dbraw/zinc/86/81/95/420868195.db2.gz MKJWXYYWXCZIPL-FQKPHLNHSA-N 2 0 340.468 -0.191 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656041324 420868877 /nfs/dbraw/zinc/86/88/77/420868877.db2.gz QNULIXVMAUFJFC-RQJABVFESA-N 2 0 326.441 -0.579 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656042013 420869381 /nfs/dbraw/zinc/86/93/81/420869381.db2.gz TUXIVRVBPYVXAL-RWMBFGLXSA-N 2 0 326.441 -0.450 20 0 EBADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656075269 420874448 /nfs/dbraw/zinc/87/44/48/420874448.db2.gz HGTRRTNPMFEUJS-BYNSBNAKSA-N 2 0 338.452 -0.938 20 0 EBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656295418 420886384 /nfs/dbraw/zinc/88/63/84/420886384.db2.gz JELCXAZHDHOIFX-SOUVJXGZSA-N 2 0 338.452 -0.888 20 0 EBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656315469 420889544 /nfs/dbraw/zinc/88/95/44/420889544.db2.gz KDYGOXFPTFETQY-SOUVJXGZSA-N 2 0 338.452 -0.746 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC2(COC2)C1 ZINC000658537889 420960186 /nfs/dbraw/zinc/96/01/86/420960186.db2.gz YHRYCROAPGFQMK-UHFFFAOYSA-N 2 0 326.441 -0.813 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659447354 420999831 /nfs/dbraw/zinc/99/98/31/420999831.db2.gz BLBGTENQWLATMD-UUCFBXCCSA-N 2 0 337.468 -0.020 20 0 EBADRP O=C(CNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)N1CC[NH2+]CC1 ZINC000659509118 421001441 /nfs/dbraw/zinc/00/14/41/421001441.db2.gz VZWJAMBLHVWYRK-HNNXBMFYSA-N 2 0 337.468 -0.161 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC[C@H]1F ZINC000659542851 421003914 /nfs/dbraw/zinc/00/39/14/421003914.db2.gz YMHNLDWSESMBRC-GMTAPVOTSA-N 2 0 341.353 -0.097 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCC1=CC[NH2+]CC1 ZINC000659540877 421004217 /nfs/dbraw/zinc/00/42/17/421004217.db2.gz XSFYICBLWCERGF-UHFFFAOYSA-N 2 0 325.457 -0.042 20 0 EBADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NCC12CC(C1)C[NH2+]2 ZINC000659539413 421004378 /nfs/dbraw/zinc/00/43/78/421004378.db2.gz QNOAYBIQKPHWLQ-QWKFWESOSA-N 2 0 335.374 -0.126 20 0 EBADRP CN1CCN(C(=O)NC[C@@H]2CC(=O)N(C(C)(C)C)C2)[C@@H](C[NH3+])C1 ZINC000659607795 421005394 /nfs/dbraw/zinc/00/53/94/421005394.db2.gz FGKAJNXUCBNJER-STQMWFEESA-N 2 0 325.457 -0.082 20 0 EBADRP CN1CCN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)[C@H](C[NH3+])C1 ZINC000659609459 421005863 /nfs/dbraw/zinc/00/58/63/421005863.db2.gz WKSMCLCILXNNMY-HUUCEWRRSA-N 3 0 325.457 -0.476 20 0 EBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CC4CC3(C[NH3+])C4)C2)CC1 ZINC000659683039 421012895 /nfs/dbraw/zinc/01/28/95/421012895.db2.gz RSWUIWNEGIFCBG-TXKKKEFDSA-N 2 0 349.479 -0.779 20 0 EBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659675933 421013516 /nfs/dbraw/zinc/01/35/16/421013516.db2.gz UHRJGNIZHJCBOA-JTQLQIEISA-N 2 0 338.412 -0.896 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000659680510 421014031 /nfs/dbraw/zinc/01/40/31/421014031.db2.gz NOQMIUKKXFMWBI-HIFRSBDPSA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000659689681 421015134 /nfs/dbraw/zinc/01/51/34/421015134.db2.gz HMJZRPSSNNFBSB-CYBMUJFWSA-N 2 0 336.436 -0.033 20 0 EBADRP CC[NH2+]CCCNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000659709231 421018375 /nfs/dbraw/zinc/01/83/75/421018375.db2.gz AGQBNQNKQZIJTB-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC2CC[NH2+]CC2)CCO1 ZINC000659708863 421018679 /nfs/dbraw/zinc/01/86/79/421018679.db2.gz ATWIUXVSEWSIMN-AWEZNQCLSA-N 2 0 326.441 -0.576 20 0 EBADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659738876 421026033 /nfs/dbraw/zinc/02/60/33/421026033.db2.gz JWGGFGNRQCXZGD-CABCVRRESA-N 2 0 338.452 -0.304 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C[C@@H](C)O1 ZINC000659744592 421028126 /nfs/dbraw/zinc/02/81/26/421028126.db2.gz XXLRWNKNDVUKEJ-GXZXJKLZSA-N 2 0 338.452 -0.530 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CCO1 ZINC000659755950 421029153 /nfs/dbraw/zinc/02/91/53/421029153.db2.gz NYODUEGBOYUMMV-HNNXBMFYSA-N 2 0 338.452 -0.589 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000659749333 421029889 /nfs/dbraw/zinc/02/98/89/421029889.db2.gz GVJFODBGOQGDRP-CYBMUJFWSA-N 2 0 326.441 -0.719 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000659749001 421029942 /nfs/dbraw/zinc/02/99/42/421029942.db2.gz DFMVNGPOLJXARI-GFCCVEGCSA-N 2 0 335.408 -0.537 20 0 EBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CCO[C@H]2C[NH3+])c1 ZINC000662699219 421096751 /nfs/dbraw/zinc/09/67/51/421096751.db2.gz YAPUCJYNYFFYJS-HOTGVXAUSA-N 2 0 348.447 -0.042 20 0 EBADRP CC(C)([NH3+])c1cc(C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)on1 ZINC000662765599 421098311 /nfs/dbraw/zinc/09/83/11/421098311.db2.gz BFYFMAYEWYIBFM-LLVKDONJSA-N 2 0 335.408 -0.095 20 0 EBADRP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCO[C@H]3C[NH3+])cn2)CC1 ZINC000662756615 421099720 /nfs/dbraw/zinc/09/97/20/421099720.db2.gz JDSMPPRODZJZNC-CABCVRRESA-N 2 0 333.436 -0.187 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)C1(n2cccn2)CC[NH2+]CC1 ZINC000662905849 421108184 /nfs/dbraw/zinc/10/81/84/421108184.db2.gz GSRLEIYMDJZWJB-OAHLLOKOSA-N 2 0 332.452 -0.532 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000662931843 421113107 /nfs/dbraw/zinc/11/31/07/421113107.db2.gz HIXBKMZTIYEJIT-CQSZACIVSA-N 2 0 325.457 -0.968 20 0 EBADRP COc1nc(N(C)CC2C[NH+](C)C2)nc(N(C)CC2C[NH+](C)C2)n1 ZINC000664331732 421153599 /nfs/dbraw/zinc/15/35/99/421153599.db2.gz RFMVCSJBBUABSN-UHFFFAOYSA-N 2 0 335.456 -0.124 20 0 EBADRP CN(C)C(=O)[C@@H]1CC[NH+](CC(O)C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)C1 ZINC000664780712 421162697 /nfs/dbraw/zinc/16/26/97/421162697.db2.gz UMHVFBRFGVZKPV-ZIAGYGMSSA-N 2 0 340.468 -0.833 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000664925827 421164650 /nfs/dbraw/zinc/16/46/50/421164650.db2.gz CXMGCTMOKFXGNH-GFCCVEGCSA-N 2 0 336.440 -0.072 20 0 EBADRP C[C@H]1C[NH+](CCCNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000663554286 421134088 /nfs/dbraw/zinc/13/40/88/421134088.db2.gz SAMAETVIEPSJJS-AJNGGQMLSA-N 2 0 328.457 -0.198 20 0 EBADRP C[C@@H]1[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CCC[N@@H+]1C ZINC000344408432 421193731 /nfs/dbraw/zinc/19/37/31/421193731.db2.gz BJMJEDRFMUGOSF-CHWSQXEVSA-N 2 0 336.440 -0.018 20 0 EBADRP COC(=O)Cn1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000567212068 421229374 /nfs/dbraw/zinc/22/93/74/421229374.db2.gz CMOXOEYSKQEPER-UHFFFAOYSA-N 2 0 340.428 0.013 20 0 EBADRP O=C(NCCn1ccnc1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000356725981 421238051 /nfs/dbraw/zinc/23/80/51/421238051.db2.gz BMQDCLHPASFTNE-UHFFFAOYSA-N 2 0 325.332 0.219 20 0 EBADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)[C@H]1c1ccccc1 ZINC000418912946 264839301 /nfs/dbraw/zinc/83/93/01/264839301.db2.gz SAKWBBOKCDMKPP-HRCADAONSA-N 2 0 346.431 -0.347 20 0 EBADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)([NH+](C)C)C1 ZINC000418926769 264843408 /nfs/dbraw/zinc/84/34/08/264843408.db2.gz UICRMPFIBSJJLR-CKEIUWERSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)NCC[NH3+])CC2)C[C@@H](C)O1 ZINC000419832097 264891198 /nfs/dbraw/zinc/89/11/98/264891198.db2.gz IZMPBIAVGKKADW-ZIAGYGMSSA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419842021 264892810 /nfs/dbraw/zinc/89/28/10/264892810.db2.gz LCCJSOREBLBHHB-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423265064 264992152 /nfs/dbraw/zinc/99/21/52/264992152.db2.gz QPYPMHWHSAWHDO-UONOGXRCSA-N 2 0 326.441 -0.767 20 0 EBADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423358158 265001614 /nfs/dbraw/zinc/00/16/14/265001614.db2.gz BGAITIWFQAIDDX-OKILXGFUSA-N 2 0 334.420 -0.152 20 0 EBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423428554 265004542 /nfs/dbraw/zinc/00/45/42/265004542.db2.gz KIHWPAATPSRKBL-AWEZNQCLSA-N 2 0 326.441 -0.493 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000423446116 265004830 /nfs/dbraw/zinc/00/48/30/265004830.db2.gz NUTLVXXBZBMTBJ-RBSFLKMASA-N 2 0 340.468 -0.249 20 0 EBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423505409 265008495 /nfs/dbraw/zinc/00/84/95/265008495.db2.gz HRHIPSPEXCHTLW-CQSZACIVSA-N 2 0 328.457 -0.247 20 0 EBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000423611540 265018738 /nfs/dbraw/zinc/01/87/38/265018738.db2.gz SABNGCKEHHYORH-AWEZNQCLSA-N 2 0 327.473 -0.851 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)CC[NH2+]1 ZINC000423675293 265031796 /nfs/dbraw/zinc/03/17/96/265031796.db2.gz HQEHDSJAAHNPPR-CQSZACIVSA-N 2 0 327.473 -0.851 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])C1 ZINC000423694325 265033016 /nfs/dbraw/zinc/03/30/16/265033016.db2.gz ARYBWLOBQGAHIJ-ZIAGYGMSSA-N 2 0 328.457 -0.249 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC2)c1 ZINC000423724005 265037926 /nfs/dbraw/zinc/03/79/26/265037926.db2.gz QXCYCBOVXPZDOV-GFCCVEGCSA-N 2 0 335.408 -0.456 20 0 EBADRP CC[NH+](CC)CCN(C(=O)[C@H]1C[NH2+]CCO1)[C@H]1CCS(=O)(=O)C1 ZINC000424185789 265050065 /nfs/dbraw/zinc/05/00/65/265050065.db2.gz FZSPGWNAXQMZPI-UONOGXRCSA-N 2 0 347.481 -0.668 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC000424534779 265073061 /nfs/dbraw/zinc/07/30/61/265073061.db2.gz ZOVSRJVFSGEHJG-BYCMXARLSA-N 2 0 348.451 -0.728 20 0 EBADRP C[NH+](C)CCCNC(=O)[C@@H]1CC[C@@H](C(=O)NCCC[NH+](C)C)O1 ZINC000426580463 265098835 /nfs/dbraw/zinc/09/88/35/265098835.db2.gz RASFHHLBKRCGTR-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430611669 265149928 /nfs/dbraw/zinc/14/99/28/265149928.db2.gz OSIGIPKFXCAFEY-CYBMUJFWSA-N 2 0 332.470 -0.931 20 0 EBADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCc1cccnc1 ZINC000430618481 265150727 /nfs/dbraw/zinc/15/07/27/265150727.db2.gz UQDDJPXSAGJVPO-MRXNPFEDSA-N 2 0 345.447 -0.158 20 0 EBADRP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430643616 265152152 /nfs/dbraw/zinc/15/21/52/265152152.db2.gz XONLJSJPCDFSKP-MCIONIFRSA-N 2 0 326.441 -0.543 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430651162 265152203 /nfs/dbraw/zinc/15/22/03/265152203.db2.gz VUDJUMJOTRJHPO-NEPJUHHUSA-N 2 0 327.429 -0.604 20 0 EBADRP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430643618 265152208 /nfs/dbraw/zinc/15/22/08/265152208.db2.gz XONLJSJPCDFSKP-RDBSUJKOSA-N 2 0 326.441 -0.543 20 0 EBADRP CC[NH+]1CCN(c2ccc(CNC(=O)COC3C[NH2+]C3)cn2)CC1 ZINC000430999625 265158170 /nfs/dbraw/zinc/15/81/70/265158170.db2.gz MKTCVVUQPYACEY-UHFFFAOYSA-N 2 0 333.436 -0.172 20 0 EBADRP COCCCNC(=O)CN(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433169777 265185206 /nfs/dbraw/zinc/18/52/06/265185206.db2.gz SOSSCFYEZGICTG-UHFFFAOYSA-N 2 0 328.457 -0.199 20 0 EBADRP O=C1C[C@]2(CC[NH+](C/C=C\C[N@H+]3CC[C@@]4(CNC(=O)C4)C3)C2)CN1 ZINC000434738594 265211870 /nfs/dbraw/zinc/21/18/70/265211870.db2.gz OOCOXYONDDNGAZ-FKAFAWJWSA-N 2 0 332.448 -0.033 20 0 EBADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000442782488 265329520 /nfs/dbraw/zinc/32/95/20/265329520.db2.gz RLFCMXNZFKZPBZ-VXGBXAGGSA-N 2 0 334.424 -0.507 20 0 EBADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000442782485 265329897 /nfs/dbraw/zinc/32/98/97/265329897.db2.gz RLFCMXNZFKZPBZ-RYUDHWBXSA-N 2 0 334.424 -0.507 20 0 EBADRP COC[C@@]1(C(=O)OC)CC[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000448557212 265389563 /nfs/dbraw/zinc/38/95/63/265389563.db2.gz SXLSUYLYFMEQRG-BLLLJJGKSA-N 2 0 341.408 -0.813 20 0 EBADRP C[C@@H]1CC(=O)C[C@H](C(=O)NCC[NH+](C)C)[C@@H]1C(=O)NCC[NH+](C)C ZINC000448543588 265390195 /nfs/dbraw/zinc/39/01/95/265390195.db2.gz SGTAIVTXCDFSCE-VHDGCEQUSA-N 2 0 340.468 -0.427 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N(C)CC[NH+](C)C)C1 ZINC000459896555 265471349 /nfs/dbraw/zinc/47/13/49/265471349.db2.gz NABGXXXENJXAHP-HNNXBMFYSA-N 2 0 342.484 -0.034 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])C1 ZINC000520583092 265648423 /nfs/dbraw/zinc/64/84/23/265648423.db2.gz IYQDZCKNLBWMHF-MGPQQGTHSA-N 2 0 328.457 -0.299 20 0 EBADRP C[NH+](C)CCOc1cc(CNC(=O)NC[C@H]2COCC[NH2+]2)ccn1 ZINC000529324236 265700587 /nfs/dbraw/zinc/70/05/87/265700587.db2.gz VUOREUAYJJHUST-AWEZNQCLSA-N 2 0 337.424 -0.190 20 0 EBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420184199 272823766 /nfs/dbraw/zinc/82/37/66/272823766.db2.gz IBUUZAJFSOWLQD-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261661003 277169121 /nfs/dbraw/zinc/16/91/21/277169121.db2.gz GEJPULMMIVKQCB-LLVKDONJSA-N 2 0 327.429 -0.602 20 0 EBADRP CC[NH+](CC)CC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)OC ZINC000337080511 279086607 /nfs/dbraw/zinc/08/66/07/279086607.db2.gz XKQSWJPMCDVNFG-UHFFFAOYSA-N 2 0 328.457 -0.423 20 0 EBADRP C[NH+](C)CCN1C[C@H](C(=O)NC2(CCO)CC[NH+](C)CC2)CC1=O ZINC000354144487 289158852 /nfs/dbraw/zinc/15/88/52/289158852.db2.gz SWEWISDYBMGUAR-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000332347038 289289750 /nfs/dbraw/zinc/28/97/50/289289750.db2.gz AFHJVVOYHCZZJF-LSDHHAIUSA-N 2 0 337.468 -0.955 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000668839746 545768529 /nfs/dbraw/zinc/76/85/29/545768529.db2.gz CNPYFVCFSVBMKX-UONOGXRCSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H]1CN(C[C@H](O)CN2CCO[C@@H]3CC[N@H+](C)C[C@H]32)C[C@H](C)O1 ZINC000344996451 545938146 /nfs/dbraw/zinc/93/81/46/545938146.db2.gz GIQKOIFWNNKMGJ-DMRKSPOLSA-N 2 0 327.469 -0.139 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)n1 ZINC000152708729 545939656 /nfs/dbraw/zinc/93/96/56/545939656.db2.gz IKTGGPNMOUESER-CQSZACIVSA-N 2 0 348.451 -0.016 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000672009748 546077962 /nfs/dbraw/zinc/07/79/62/546077962.db2.gz RMPMCJQHTGCNKX-CQSZACIVSA-N 2 0 342.484 -0.083 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000672015154 546078295 /nfs/dbraw/zinc/07/82/95/546078295.db2.gz RNLWBRNAOWLJEX-ZFWWWQNUSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H](C[C@H]1CCOC1)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000673218878 546134929 /nfs/dbraw/zinc/13/49/29/546134929.db2.gz IEIHJUMPHFPUSR-LSDHHAIUSA-N 2 0 342.484 -0.131 20 0 EBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000673352033 546137683 /nfs/dbraw/zinc/13/76/83/546137683.db2.gz KUVKOMAMCYOFIL-CQSZACIVSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)CC1=O ZINC000673511351 546141535 /nfs/dbraw/zinc/14/15/35/546141535.db2.gz POSDHDFLVVIJIQ-KFWWJZLASA-N 2 0 338.452 -0.936 20 0 EBADRP CN(C)C(=O)CCN1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000675533194 546184933 /nfs/dbraw/zinc/18/49/33/546184933.db2.gz UHPFPBFGOSNLKL-CQSZACIVSA-N 2 0 325.457 -0.114 20 0 EBADRP C[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[NH+]1CCCC1 ZINC000676090648 546195482 /nfs/dbraw/zinc/19/54/82/546195482.db2.gz XCEXIBCIPJHSPT-ZDUSSCGKSA-N 2 0 336.440 -0.016 20 0 EBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676996582 546221708 /nfs/dbraw/zinc/22/17/08/546221708.db2.gz HJSVKKJBUORJPF-INIZCTEOSA-N 2 0 346.391 -0.365 20 0 EBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3C[NH+]4CCN3CCC4)CC2)C1 ZINC000677891822 546239645 /nfs/dbraw/zinc/23/96/45/546239645.db2.gz SJHHQMWSSLTRGO-DLBZAZTESA-N 2 0 335.496 -0.385 20 0 EBADRP NC(=O)[C@H]1CCCN1C1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000678080101 546247047 /nfs/dbraw/zinc/24/70/47/546247047.db2.gz NVSAYKUBVWSPFC-JKSUJKDBSA-N 2 0 340.468 -0.906 20 0 EBADRP C[N@@H+]1CC[C@](O)(CNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000680833041 546292763 /nfs/dbraw/zinc/29/27/63/546292763.db2.gz NBCUAHFOOUOAOW-INIZCTEOSA-N 2 0 327.473 -0.622 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891480348 582557152 /nfs/dbraw/zinc/55/71/52/582557152.db2.gz BCHSFSBGNTUDJS-HZSPNIEDSA-N 2 0 325.457 -0.034 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891540601 582557849 /nfs/dbraw/zinc/55/78/49/582557849.db2.gz UQSVWLNPJOSISP-HUUCEWRRSA-N 2 0 339.484 -0.310 20 0 EBADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891559629 582558029 /nfs/dbraw/zinc/55/80/29/582558029.db2.gz GKPHPOOSMFNIRJ-MYPMTAMASA-N 2 0 349.435 -0.200 20 0 EBADRP O=C(NC1CC[NH2+]CC1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000891962123 582564040 /nfs/dbraw/zinc/56/40/40/582564040.db2.gz OMNROIMOEUMRAJ-INIZCTEOSA-N 2 0 339.484 -0.166 20 0 EBADRP O=C(NC[C@H]1CCC[NH2+]1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892000093 582565446 /nfs/dbraw/zinc/56/54/46/582565446.db2.gz PNJHKHLHPZUQBJ-HZPDHXFCSA-N 2 0 339.484 -0.166 20 0 EBADRP O=C(N[C@@H]1CC[NH2+]C1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892006944 582565647 /nfs/dbraw/zinc/56/56/47/582565647.db2.gz NMUAXCNGFDNEHQ-CABCVRRESA-N 2 0 325.457 -0.556 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892079152 582566776 /nfs/dbraw/zinc/56/67/76/582566776.db2.gz VRCXTLCNDUFRTH-ITGHMWBKSA-N 2 0 337.424 -0.439 20 0 EBADRP [NH3+]C/C=C/CNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892124244 582567574 /nfs/dbraw/zinc/56/75/74/582567574.db2.gz YFVKGOAKRMUZNK-BGTMTDRBSA-N 2 0 325.457 -0.403 20 0 EBADRP C[C@@H](NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H](C)[NH3+] ZINC000892143656 582567818 /nfs/dbraw/zinc/56/78/18/582567818.db2.gz FHMVXYLCNUMJBL-ZNMIVQPWSA-N 2 0 327.473 -0.182 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)C[C@H]1C[NH+](C)C ZINC000892170616 582568551 /nfs/dbraw/zinc/56/85/51/582568551.db2.gz VCJJWCQFGVPUPN-OAGGEKHMSA-N 3 0 341.500 -0.254 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892303311 582573975 /nfs/dbraw/zinc/57/39/75/582573975.db2.gz ZLVABTUUYDQXIC-HRCADAONSA-N 2 0 339.484 -0.167 20 0 EBADRP [NH3+]CC12CCC(CC1)N2C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892454399 582580389 /nfs/dbraw/zinc/58/03/89/582580389.db2.gz SUFITUPJKDIJHT-JEFPAAPESA-N 2 0 349.435 -0.071 20 0 EBADRP O=C(NCC[NH+]1CCC(O)CC1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000892819563 582588864 /nfs/dbraw/zinc/58/88/64/582588864.db2.gz QMOMNYLBCRZXCO-UKRRQHHQSA-N 2 0 326.441 -0.395 20 0 EBADRP C[C@H](NC(=O)N1CCN(C)CC[N@H+](C)CC1)[C@@H]1CN(C)CCO1 ZINC000893764340 582609529 /nfs/dbraw/zinc/60/95/29/582609529.db2.gz NLMYMTVLHWJRLT-GJZGRUSLSA-N 2 0 327.473 -0.406 20 0 EBADRP C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000897514588 582694547 /nfs/dbraw/zinc/69/45/47/582694547.db2.gz UFFQPQGMWCJECM-AWEZNQCLSA-N 2 0 325.457 -0.114 20 0 EBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000900228312 582765229 /nfs/dbraw/zinc/76/52/29/582765229.db2.gz BIKGIAASFPKSLE-CRAIPNDOSA-N 2 0 347.463 -0.095 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900574329 582772194 /nfs/dbraw/zinc/77/21/94/582772194.db2.gz IIDTXWOWMCHGND-WMLDXEAASA-N 2 0 340.468 -0.546 20 0 EBADRP CCN1CCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)CC1 ZINC000903711476 582814976 /nfs/dbraw/zinc/81/49/76/582814976.db2.gz ZOSLESSZBPGCSV-MNOVXSKESA-N 2 0 336.358 -0.111 20 0 EBADRP CNC(=O)NC[C@H]1CN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903769646 582818064 /nfs/dbraw/zinc/81/80/64/582818064.db2.gz LJVXELDGGPJEGB-KBPBESRZSA-N 2 0 326.441 -0.225 20 0 EBADRP Cc1c(C[C@@H](C[NH3+])C[N@H+](CCO)CCN2CCOCC2)cnn1C ZINC000903886589 582823085 /nfs/dbraw/zinc/82/30/85/582823085.db2.gz RBVOBVFIJWMYPH-INIZCTEOSA-N 2 0 339.484 -0.528 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000732245944 582846092 /nfs/dbraw/zinc/84/60/92/582846092.db2.gz KKNZTKWRPHRZLQ-RBSFLKMASA-N 2 0 325.457 -0.605 20 0 EBADRP C[C@@H]1CN(CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000741085194 583069387 /nfs/dbraw/zinc/06/93/87/583069387.db2.gz MMLAXMZEIBCICV-OAHLLOKOSA-N 2 0 329.489 -0.158 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=S)NCC[NH+](C)C ZINC000751041246 583141468 /nfs/dbraw/zinc/14/14/68/583141468.db2.gz ZMFIUZMVLPUGEP-ZDUSSCGKSA-N 2 0 329.514 -0.045 20 0 EBADRP O=C(C[NH+]1CC[C@@H]2C[C@@H]21)N1CCN(C(=O)C[N@@H+]2CC[C@@H]3C[C@@H]32)CC1 ZINC000761087420 583236627 /nfs/dbraw/zinc/23/66/27/583236627.db2.gz PDCXOMASHYNZKY-WCVJEAGWSA-N 2 0 332.448 -0.154 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C2([NH+](C)C)CCC2)cn1 ZINC000763057990 583256334 /nfs/dbraw/zinc/25/63/34/583256334.db2.gz WYCGVWDFAMAGMX-UHFFFAOYSA-N 2 0 336.440 -0.016 20 0 EBADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804031473 583636034 /nfs/dbraw/zinc/63/60/34/583636034.db2.gz HBHNJFCTIRANQH-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C(C)C ZINC000804051068 583636683 /nfs/dbraw/zinc/63/66/83/583636683.db2.gz NADDBJQCPDLUOR-HUUCEWRRSA-N 2 0 340.468 -0.188 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804053394 583638139 /nfs/dbraw/zinc/63/81/39/583638139.db2.gz JQZPASGAADVAPT-ZIAGYGMSSA-N 2 0 326.441 -0.624 20 0 EBADRP CC1(C)CN(C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)CC[N@@H+]1CCO ZINC000806737239 583654463 /nfs/dbraw/zinc/65/44/63/583654463.db2.gz RETFPHIYMPXWPX-LSDHHAIUSA-N 2 0 340.468 -0.052 20 0 EBADRP CC1(C)CN(C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC[N@@H+]1CCO ZINC000806737238 583654488 /nfs/dbraw/zinc/65/44/88/583654488.db2.gz RETFPHIYMPXWPX-HUUCEWRRSA-N 2 0 340.468 -0.052 20 0 EBADRP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CCCCC1 ZINC000842164300 584058491 /nfs/dbraw/zinc/05/84/91/584058491.db2.gz IEZTXCBRLUGFBM-UONOGXRCSA-N 2 0 338.452 -0.256 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000842165541 584058904 /nfs/dbraw/zinc/05/89/04/584058904.db2.gz ZBOANASRNDLQFF-XQLPTFJDSA-N 2 0 338.452 -0.306 20 0 EBADRP C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCO1 ZINC000843348015 584076483 /nfs/dbraw/zinc/07/64/83/584076483.db2.gz ZTCIANCTHYFTCN-GJZGRUSLSA-N 2 0 338.452 -0.623 20 0 EBADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCc1ccccn1 ZINC000844217057 584091350 /nfs/dbraw/zinc/09/13/50/584091350.db2.gz ALJQTCZPNSMGNI-HNNXBMFYSA-N 2 0 345.447 -0.158 20 0 EBADRP CCO[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C[C@H]1C[NH3+] ZINC000846142990 584122397 /nfs/dbraw/zinc/12/23/97/584122397.db2.gz CBBWIGOVWHADDS-APIJFGDWSA-N 2 0 326.441 -0.145 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)C[C@H]1C[NH3+] ZINC000846335896 584124847 /nfs/dbraw/zinc/12/48/47/584124847.db2.gz SQBISUNNABSUSI-RBSFLKMASA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000848935452 584164265 /nfs/dbraw/zinc/16/42/65/584164265.db2.gz NCTRCRWBDLMJRM-ZQDZILKHSA-N 2 0 338.452 -0.747 20 0 EBADRP CC[N@H+](CCO)CCNC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849577277 584171822 /nfs/dbraw/zinc/17/18/22/584171822.db2.gz HBGQDXURVAQBIU-JKSUJKDBSA-N 2 0 337.468 -0.114 20 0 EBADRP C[NH+]1CCN(c2ccc(CNC(=O)C3=NO[C@H](C[NH3+])C3)cn2)CC1 ZINC000852873104 584218512 /nfs/dbraw/zinc/21/85/12/584218512.db2.gz PFCGIZYSOJHZTG-ZDUSSCGKSA-N 2 0 332.408 -0.447 20 0 EBADRP [NH3+]C[C@@H]1CC(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)=NO1 ZINC000852902375 584219696 /nfs/dbraw/zinc/21/96/96/584219696.db2.gz DRDBEWGQUIYLBV-GJZGRUSLSA-N 2 0 332.404 -0.027 20 0 EBADRP C[Si](C)(CC[NH+]1C[C@H](O)C[C@H](O)C1)CC[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000859152888 584296583 /nfs/dbraw/zinc/29/65/83/584296583.db2.gz SGQGDNZWVMYSSS-GEEKYZPCSA-N 2 0 346.544 -0.450 20 0 EBADRP C[Si](C)(CC[NH+]1C[C@H](O)C[C@H]1CO)CC[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000859255563 584298498 /nfs/dbraw/zinc/29/84/98/584298498.db2.gz PHOAPPXMLUZQES-CAOSSQGBSA-N 2 0 346.544 -0.450 20 0 EBADRP C[Si](C)(CC[NH+]1C[C@H](O)[C@H](CO)C1)CC[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC000859329537 584300236 /nfs/dbraw/zinc/30/02/36/584300236.db2.gz SAOVXVPNCDSDES-VGWMRTNUSA-N 2 0 346.544 -0.735 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861653556 584332539 /nfs/dbraw/zinc/33/25/39/584332539.db2.gz CCMNERAMDWBDSE-RTXFEEFZSA-N 2 0 325.413 -0.439 20 0 EBADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000861732339 584335825 /nfs/dbraw/zinc/33/58/25/584335825.db2.gz JFZKVJOYMRYGSM-CYBMUJFWSA-N 2 0 326.441 -0.530 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000861732173 584335862 /nfs/dbraw/zinc/33/58/62/584335862.db2.gz KKULBKNTMHJKQX-BBRMVZONSA-N 2 0 348.447 -0.325 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861756358 584337592 /nfs/dbraw/zinc/33/75/92/584337592.db2.gz YDPVUGBRQBUFDW-BFHYXJOUSA-N 2 0 336.436 -0.633 20 0 EBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000863548700 584372951 /nfs/dbraw/zinc/37/29/51/584372951.db2.gz VWAGDGASODFHEM-SOUVJXGZSA-N 3 0 336.436 -0.236 20 0 EBADRP Cn1ccc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000867590697 584412141 /nfs/dbraw/zinc/41/21/41/584412141.db2.gz RTDCTTNRAATRIL-CHWSQXEVSA-N 2 0 329.470 -0.220 20 0 EBADRP O=C(C(F)C(=O)N1CC[NH+]2CCC1CC2)N1CC[NH+]2CCC1CC2 ZINC000867697777 584414252 /nfs/dbraw/zinc/41/42/52/584414252.db2.gz LMYPTQLRYLXZJW-UHFFFAOYSA-N 2 0 338.427 -0.062 20 0 EBADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000868255886 584423683 /nfs/dbraw/zinc/42/36/83/584423683.db2.gz PHYDSKDRURZTSP-XUWVNRHRSA-N 2 0 344.415 -0.283 20 0 EBADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000868278805 584424036 /nfs/dbraw/zinc/42/40/36/584424036.db2.gz MXDSDVJLDHSADV-KBPBESRZSA-N 2 0 343.431 -0.050 20 0 EBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000868385205 584427025 /nfs/dbraw/zinc/42/70/25/584427025.db2.gz MKPFVEAECYMCDF-RBSFLKMASA-N 3 0 339.484 -0.996 20 0 EBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870997490 584450873 /nfs/dbraw/zinc/45/08/73/584450873.db2.gz UMNDLHCHVNOWBJ-RVMXOQNASA-N 2 0 326.397 -0.868 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@@H]2CN(C(=O)C3([NH+](C)C)CC3)CCO2)CC1 ZINC000871465090 584454304 /nfs/dbraw/zinc/45/43/04/584454304.db2.gz UFGCLLFWUCBDBS-CYBMUJFWSA-N 2 0 338.452 -0.482 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000875088157 584489311 /nfs/dbraw/zinc/48/93/11/584489311.db2.gz YKDGDXFMNJRIGU-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCOC2)C[C@H]1C[NH+](C)C ZINC000875178048 584492442 /nfs/dbraw/zinc/49/24/42/584492442.db2.gz KDMBLPCKSBXNDI-MGPQQGTHSA-N 2 0 326.441 -0.911 20 0 EBADRP O=C([C@@H](F)[C@@H]1CC[NH2+]C1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000876511781 584517481 /nfs/dbraw/zinc/51/74/81/584517481.db2.gz ALDPRXFAEZTENZ-MCIONIFRSA-N 2 0 326.416 -0.396 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876745969 584522118 /nfs/dbraw/zinc/52/21/18/584522118.db2.gz HIVVPSCFRHXFLQ-XHSDSOJGSA-N 2 0 325.501 -0.108 20 0 EBADRP COC[C@]1(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C[NH2+]CCO1 ZINC000877352880 584532147 /nfs/dbraw/zinc/53/21/47/584532147.db2.gz LLOOMKDCXQRVOK-FOGDFJRCSA-N 2 0 325.331 -0.413 20 0 EBADRP Cn1ccnc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1=O ZINC000879111405 584548454 /nfs/dbraw/zinc/54/84/54/584548454.db2.gz RGYCCSJEXLZJEA-CHWSQXEVSA-N 2 0 336.440 -0.017 20 0 EBADRP CN(C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C1(C[NH3+])CCCCC1 ZINC000883654424 584604990 /nfs/dbraw/zinc/60/49/90/584604990.db2.gz CDVSRCFWRXBZLQ-UONOGXRCSA-N 2 0 338.452 -0.616 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)c2ccnc(N3CC[NH2+]CC3)c2)C1 ZINC000884214019 584618752 /nfs/dbraw/zinc/61/87/52/584618752.db2.gz RJSOMUZWILAFMA-HNNXBMFYSA-N 2 0 333.436 -0.058 20 0 EBADRP C[NH+]1CCN(CCNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884232934 584619660 /nfs/dbraw/zinc/61/96/60/584619660.db2.gz DLGYOHDJXPJCJW-UHFFFAOYSA-N 2 0 332.452 -0.532 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000884597664 584629039 /nfs/dbraw/zinc/62/90/39/584629039.db2.gz GMEADNSERUFUSY-CABCVRRESA-N 2 0 339.484 -0.532 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000884603860 584629229 /nfs/dbraw/zinc/62/92/29/584629229.db2.gz TUTNAUGRPQCKRL-CQSZACIVSA-N 2 0 326.441 -0.447 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000884603952 584629257 /nfs/dbraw/zinc/62/92/57/584629257.db2.gz WCUNPPVCTSXOAD-KFWWJZLASA-N 2 0 338.452 -0.434 20 0 EBADRP CCC1([NH3+])CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000884603977 584629268 /nfs/dbraw/zinc/62/92/68/584629268.db2.gz XCKWIYJJBPHJCS-AWEZNQCLSA-N 2 0 340.468 -0.057 20 0 EBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000884640153 584631167 /nfs/dbraw/zinc/63/11/67/584631167.db2.gz VIBSPMIZFVGHDM-UONOGXRCSA-N 2 0 338.452 -0.304 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]CCC23CCC3)C1 ZINC000884642385 584631305 /nfs/dbraw/zinc/63/13/05/584631305.db2.gz HOAKGKJMCSWFFQ-CQSZACIVSA-N 2 0 338.452 -0.432 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000884669595 584632561 /nfs/dbraw/zinc/63/25/61/584632561.db2.gz APYQNGUGXNQDQC-LSDHHAIUSA-N 2 0 339.484 -0.674 20 0 EBADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000884814729 584638487 /nfs/dbraw/zinc/63/84/87/584638487.db2.gz GTTQUPOIDVAOPW-UONOGXRCSA-N 2 0 347.419 -0.777 20 0 EBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885138158 584643912 /nfs/dbraw/zinc/64/39/12/584643912.db2.gz QZDPUGGSHWUHGF-ZIAGYGMSSA-N 2 0 338.452 -0.528 20 0 EBADRP CC(C)([NH3+])CCNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000885193388 584645562 /nfs/dbraw/zinc/64/55/62/584645562.db2.gz WDGPAFISCXPTEB-UHFFFAOYSA-N 2 0 340.468 -0.057 20 0 EBADRP CC(C)([NH3+])CCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000885204096 584645906 /nfs/dbraw/zinc/64/59/06/584645906.db2.gz HMNXSPYMZXHMPP-AWEZNQCLSA-N 2 0 340.468 -0.199 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885286485 584647229 /nfs/dbraw/zinc/64/72/29/584647229.db2.gz WQCGWWLLDURECW-RYUDHWBXSA-N 2 0 332.395 -0.052 20 0 EBADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000887087998 584676024 /nfs/dbraw/zinc/67/60/24/584676024.db2.gz IIRVPUMXBWDTLT-CQSZACIVSA-N 2 0 340.468 -0.105 20 0 EBADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000887091270 584676308 /nfs/dbraw/zinc/67/63/08/584676308.db2.gz GGGDGXAVFYHQPI-UONOGXRCSA-N 2 0 331.420 -0.074 20 0 EBADRP COCC[N@H+](C)C[C@H](O)Cn1cc(CN2CCC[C@@H]([NH3+])C2)nn1 ZINC000887451420 584678258 /nfs/dbraw/zinc/67/82/58/584678258.db2.gz MVCKSSKGFWNXHY-HIFRSBDPSA-N 2 0 326.445 -0.860 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)CCO1 ZINC000195519218 649982813 /nfs/dbraw/zinc/98/28/13/649982813.db2.gz APYIGZNUJZCTPA-CQSZACIVSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C[C@H](C)[NH2+]1 ZINC000904991673 650056500 /nfs/dbraw/zinc/05/65/00/650056500.db2.gz XACJRQQGYFFWCB-LXTVHRRPSA-N 2 0 338.452 -0.747 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000905023027 650061152 /nfs/dbraw/zinc/06/11/52/650061152.db2.gz SRFZMORHGRZVED-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000905025030 650061618 /nfs/dbraw/zinc/06/16/18/650061618.db2.gz YFGIAFDBGSQRDN-SOUVJXGZSA-N 2 0 338.452 -0.624 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000905396494 650063471 /nfs/dbraw/zinc/06/34/71/650063471.db2.gz OIGSBDJKTFGBMI-INIZCTEOSA-N 2 0 326.485 -0.047 20 0 EBADRP C[NH+]1CCC2(CC1)NC(=O)N(CN1CC[C@@H](C3OCCO3)C1)C2=O ZINC000905694899 650064286 /nfs/dbraw/zinc/06/42/86/650064286.db2.gz KWAXMSVZAINFRV-GFCCVEGCSA-N 2 0 338.408 -0.345 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCNC(=O)CO ZINC000906488778 650068313 /nfs/dbraw/zinc/06/83/13/650068313.db2.gz OAJHXIUJGHWZCT-CQSZACIVSA-N 2 0 328.457 -0.641 20 0 EBADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C1CN(C)CC[NH+](C)C1 ZINC000907588745 650087302 /nfs/dbraw/zinc/08/73/02/650087302.db2.gz QSEBKVFHKPJFSE-CQSZACIVSA-N 2 0 326.485 -0.217 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC000909321309 650105243 /nfs/dbraw/zinc/10/52/43/650105243.db2.gz OLQGMWSTBGUZKC-OAHLLOKOSA-N 2 0 340.468 -0.327 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)[NH+]1CCCCC1 ZINC000910947373 650141602 /nfs/dbraw/zinc/14/16/02/650141602.db2.gz WVHSEVYIZRSZDV-AWEZNQCLSA-N 2 0 339.484 -0.484 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)[NH+]1CCCCC1 ZINC000910946451 650141657 /nfs/dbraw/zinc/14/16/57/650141657.db2.gz MCWIQFYMVRNICU-CZUORRHYSA-N 2 0 326.441 -0.711 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000910950360 650142079 /nfs/dbraw/zinc/14/20/79/650142079.db2.gz OWZGUYHJGKAHMX-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911039083 650147389 /nfs/dbraw/zinc/14/73/89/650147389.db2.gz IBEGDHDVTXZMPW-UHFFFAOYSA-N 2 0 326.441 -0.401 20 0 EBADRP C[NH2+]CCN(C(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C(C)C ZINC000910991552 650144391 /nfs/dbraw/zinc/14/43/91/650144391.db2.gz IEXNQEHOXSWYLE-HNNXBMFYSA-N 2 0 342.484 -0.084 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000910990901 650144396 /nfs/dbraw/zinc/14/43/96/650144396.db2.gz FGAMAUXXADMBLV-UONOGXRCSA-N 2 0 340.468 -0.426 20 0 EBADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[NH2+]C[C@H]2COC)CC1 ZINC000911005295 650144888 /nfs/dbraw/zinc/14/48/88/650144888.db2.gz ZSTLPBIHHZHCPL-AWEZNQCLSA-N 2 0 326.441 -0.719 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000911027913 650146148 /nfs/dbraw/zinc/14/61/48/650146148.db2.gz FIPWOWCUUGDUKM-ILXRZTDVSA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911081389 650149508 /nfs/dbraw/zinc/14/95/08/650149508.db2.gz XFRUGHAAVHDDRT-HUUCEWRRSA-N 2 0 339.484 -0.485 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911093220 650150662 /nfs/dbraw/zinc/15/06/62/650150662.db2.gz XALFZHJJHMCNHL-OAHLLOKOSA-N 2 0 339.484 -0.756 20 0 EBADRP CCCC[NH+]1CCC(NC(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000911117317 650152284 /nfs/dbraw/zinc/15/22/84/650152284.db2.gz ZSCLQOCXMZADLP-UHFFFAOYSA-N 2 0 339.484 -0.612 20 0 EBADRP C[NH2+]CCN(C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(C)C ZINC000911147799 650154029 /nfs/dbraw/zinc/15/40/29/650154029.db2.gz JOCAAHGOTCOHFO-UONOGXRCSA-N 2 0 326.441 -0.578 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911149170 650155085 /nfs/dbraw/zinc/15/50/85/650155085.db2.gz VAZYLOHSNFYLSX-RRFJBIMHSA-N 2 0 338.452 -0.386 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000911160359 650155329 /nfs/dbraw/zinc/15/53/29/650155329.db2.gz BYLVCTZFWXDRHT-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H](NC(=O)C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+])[C@H]1CN(C)CCO1 ZINC000911161598 650155389 /nfs/dbraw/zinc/15/53/89/650155389.db2.gz JIYMNSSBZSAILV-CFAJVAMVSA-N 2 0 338.452 -0.448 20 0 EBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000911161945 650155770 /nfs/dbraw/zinc/15/57/70/650155770.db2.gz MZJOFZPPBLEVOF-IHRRRGAJSA-N 2 0 326.441 -0.578 20 0 EBADRP CC1(C)CN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C[C@H]1[NH3+] ZINC000911182768 650157422 /nfs/dbraw/zinc/15/74/22/650157422.db2.gz GZFMOYPNWMDIJB-CYBMUJFWSA-N 2 0 326.441 -0.589 20 0 EBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000911188264 650157992 /nfs/dbraw/zinc/15/79/92/650157992.db2.gz SUFZIOBQRNORID-CYBMUJFWSA-N 2 0 328.457 -0.201 20 0 EBADRP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000911194703 650158453 /nfs/dbraw/zinc/15/84/53/650158453.db2.gz LTUDNCFDILGYJZ-MQBCKMQZSA-N 2 0 338.452 -0.568 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000911197064 650158976 /nfs/dbraw/zinc/15/89/76/650158976.db2.gz ZJVDKGAJJSMKRC-CQSZACIVSA-N 2 0 340.468 -0.201 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000911206486 650159544 /nfs/dbraw/zinc/15/95/44/650159544.db2.gz GTLMVDPBGLDCAF-CZUORRHYSA-N 2 0 326.441 -0.711 20 0 EBADRP CN(C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)C1(C[NH3+])CCOCC1 ZINC000911222321 650161023 /nfs/dbraw/zinc/16/10/23/650161023.db2.gz CTXQQRDUMSGMRF-CQSZACIVSA-N 2 0 338.452 -0.447 20 0 EBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000911230570 650161267 /nfs/dbraw/zinc/16/12/67/650161267.db2.gz QXNCFZQKNURGPK-AWEZNQCLSA-N 2 0 338.452 -0.303 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000911231300 650161276 /nfs/dbraw/zinc/16/12/76/650161276.db2.gz LWEWYCKVGYFDRL-CZUORRHYSA-N 2 0 326.441 -0.589 20 0 EBADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000911259283 650164020 /nfs/dbraw/zinc/16/40/20/650164020.db2.gz XHILLKBBKKBVHA-DYVFJYSZSA-N 2 0 340.468 -0.465 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)C[NH+](C)C ZINC000911299509 650167760 /nfs/dbraw/zinc/16/77/60/650167760.db2.gz YSKTVYKJGWFLQI-UONOGXRCSA-N 2 0 328.457 -0.297 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)C[NH+]1CCN(C)CC1 ZINC000911268748 650164694 /nfs/dbraw/zinc/16/46/94/650164694.db2.gz FSRYKPRGRRSRNE-ZIAGYGMSSA-N 2 0 339.484 -0.818 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000911268278 650164707 /nfs/dbraw/zinc/16/47/07/650164707.db2.gz CHKPTMWESQYLST-KGLIPLIRSA-N 2 0 326.441 -0.719 20 0 EBADRP C[NH2+]CCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)C(C)C ZINC000911270508 650165170 /nfs/dbraw/zinc/16/51/70/650165170.db2.gz XZRRBAFQJJHXNZ-HNNXBMFYSA-N 2 0 341.500 -0.558 20 0 EBADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911310868 650169547 /nfs/dbraw/zinc/16/95/47/650169547.db2.gz WMIBVUCWMVSVHW-RBSFLKMASA-N 2 0 340.468 -0.322 20 0 EBADRP C[NH+](C)C1CCC(NC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000911317458 650170660 /nfs/dbraw/zinc/17/06/60/650170660.db2.gz VLBJIHNSDXXHEX-ZUEPYMLJSA-N 2 0 326.441 -0.712 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000911313999 650170835 /nfs/dbraw/zinc/17/08/35/650170835.db2.gz HIGDAFNYWSBIPX-NRXISQOPSA-N 2 0 340.468 -0.188 20 0 EBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000911335880 650171654 /nfs/dbraw/zinc/17/16/54/650171654.db2.gz BZOPRLDBMAOPIA-ZIAGYGMSSA-N 2 0 338.452 -0.530 20 0 EBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000911335877 650171794 /nfs/dbraw/zinc/17/17/94/650171794.db2.gz BZOPRLDBMAOPIA-KBPBESRZSA-N 2 0 338.452 -0.530 20 0 EBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000911330361 650171925 /nfs/dbraw/zinc/17/19/25/650171925.db2.gz JSLACFDMAMTUNU-RHSMWYFYSA-N 2 0 340.468 -0.465 20 0 EBADRP CC1([NH+]2CCC2)CCC(NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000911346602 650173222 /nfs/dbraw/zinc/17/32/22/650173222.db2.gz PHWVCWBPFGTDAR-XOYHFGRZSA-N 2 0 338.452 -0.386 20 0 EBADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)c1cccnc1 ZINC000911345959 650173489 /nfs/dbraw/zinc/17/34/89/650173489.db2.gz LZSKUHABXAOQGX-HUUCEWRRSA-N 2 0 349.435 -0.705 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000911370330 650176219 /nfs/dbraw/zinc/17/62/19/650176219.db2.gz WWPWHUJKDNJTEU-HZSPNIEDSA-N 2 0 326.441 -0.720 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000911379281 650177128 /nfs/dbraw/zinc/17/71/28/650177128.db2.gz COWZJTBGOKHXOK-ILXRZTDVSA-N 2 0 340.468 -0.473 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000911378902 650177172 /nfs/dbraw/zinc/17/71/72/650177172.db2.gz XJAJNOFBCCNQIM-KGLIPLIRSA-N 2 0 340.468 -0.473 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCN3CCC([NH3+])CC3)CC[C@@H]21 ZINC000911411153 650179770 /nfs/dbraw/zinc/17/97/70/650179770.db2.gz KHHGCKKDHPKHGB-HIFRSBDPSA-N 2 0 337.468 -0.922 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)C[NH+](C)C ZINC000911435898 650183918 /nfs/dbraw/zinc/18/39/18/650183918.db2.gz QMIIDQZPWXGQHB-WOSRLPQWSA-N 2 0 326.441 -0.863 20 0 EBADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000911515725 650189393 /nfs/dbraw/zinc/18/93/93/650189393.db2.gz FOHPRVXAGHCSIG-SJXGUFTOSA-N 2 0 344.415 -0.995 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1cnc(N)nc1 ZINC000913832104 650246776 /nfs/dbraw/zinc/24/67/76/650246776.db2.gz KCJNFCILCPAROV-UHFFFAOYSA-N 2 0 344.485 -0.047 20 0 EBADRP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000913915447 650248298 /nfs/dbraw/zinc/24/82/98/650248298.db2.gz DEOIULLQIGRSJG-QLFBSQMISA-N 2 0 340.468 -0.452 20 0 EBADRP C[NH+]1CC[C@@H](CC(=O)N[C@@H](CO)CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000913919072 650248829 /nfs/dbraw/zinc/24/88/29/650248829.db2.gz AVFXNPVQHGSIFX-QLFBSQMISA-N 2 0 340.468 -0.737 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)[C@@H]1COC[C@H]1O ZINC000914030824 650250471 /nfs/dbraw/zinc/25/04/71/650250471.db2.gz HDFYUDWKABYVSW-RRFJBIMHSA-N 2 0 349.497 -0.576 20 0 EBADRP CCCNC(=O)CN1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000914115793 650252016 /nfs/dbraw/zinc/25/20/16/650252016.db2.gz GFUHYXLWQDKRAR-CQSZACIVSA-N 2 0 325.457 -0.020 20 0 EBADRP O=C(NC[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1)[C@@H]1CCC[NH2+]1 ZINC000923327256 650338098 /nfs/dbraw/zinc/33/80/98/650338098.db2.gz AZWGSPGCXGUHQV-XHSDSOJGSA-N 2 0 335.452 -0.176 20 0 EBADRP O=S1(=O)CCCN1[C@@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923371890 650338481 /nfs/dbraw/zinc/33/84/81/650338481.db2.gz AUTQMPLDLDWXCO-ZIAGYGMSSA-N 2 0 329.466 -0.135 20 0 EBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COC[C@H]2CCCO2)C1 ZINC000923282594 650337643 /nfs/dbraw/zinc/33/76/43/650337643.db2.gz WARBKWVVBNCISF-RBSFLKMASA-N 2 0 329.441 -0.670 20 0 EBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)C1 ZINC000923422980 650339538 /nfs/dbraw/zinc/33/95/38/650339538.db2.gz YIORNOVLIRSJER-IBPCWRJOSA-N 2 0 325.453 -0.031 20 0 EBADRP [NH3+]C[C@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CC[C@@H]1C(F)(F)F ZINC000923661498 650351169 /nfs/dbraw/zinc/35/11/69/650351169.db2.gz KRMVZZOGJWIEIU-UWVGGRQHSA-N 2 0 330.376 -0.405 20 0 EBADRP C[NH+]1CCN(C2CCN(S(=O)(=O)[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000923667870 650351581 /nfs/dbraw/zinc/35/15/81/650351581.db2.gz XILXQWZKULCUGN-OAHLLOKOSA-N 2 0 330.498 -0.220 20 0 EBADRP C[NH+](C)C[C@H]1NC(=O)N(Cc2ccc(N3CC[NH+](C)CC3)nc2)C1=O ZINC000924453813 650363143 /nfs/dbraw/zinc/36/31/43/650363143.db2.gz DMWUAJLBCRYSKP-CQSZACIVSA-N 2 0 346.435 -0.185 20 0 EBADRP CC(C)[C@@H](CN1C(=O)N[C@@H](C[NH+](C)C)C1=O)[NH+]1CCN(C)CC1 ZINC000924454406 650363362 /nfs/dbraw/zinc/36/33/62/650363362.db2.gz BBFBLVQODYZVER-UONOGXRCSA-N 2 0 325.457 -0.260 20 0 EBADRP C[N@@H+]1C[C@H](O)C[C@H]1CNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000924984231 650370881 /nfs/dbraw/zinc/37/08/81/650370881.db2.gz PUWFBHBBWSYCHR-LZLYRXPVSA-N 2 0 333.432 -0.195 20 0 EBADRP C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000925169750 650373760 /nfs/dbraw/zinc/37/37/60/650373760.db2.gz KOGOLZUQYSIAGZ-AAVRWANBSA-N 2 0 328.482 -0.070 20 0 EBADRP C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1N=NC(=O)N1C ZINC000926140804 650383301 /nfs/dbraw/zinc/38/33/01/650383301.db2.gz JEKQTJQOZKVNCY-NSHDSACASA-N 2 0 327.433 -0.284 20 0 EBADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926339177 650387433 /nfs/dbraw/zinc/38/74/33/650387433.db2.gz DDIVEHFVSTXDES-CABCVRRESA-N 2 0 337.468 -0.907 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926328834 650386112 /nfs/dbraw/zinc/38/61/12/650386112.db2.gz SRTWYHGLMQIUQY-LSDHHAIUSA-N 2 0 340.468 -0.247 20 0 EBADRP C[NH+](C)[C@H]1CCN(C(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)C1 ZINC000926329644 650386166 /nfs/dbraw/zinc/38/61/66/650386166.db2.gz GIGQHDYAHANZBW-KBPBESRZSA-N 2 0 338.452 -0.495 20 0 EBADRP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000926332111 650386368 /nfs/dbraw/zinc/38/63/68/650386368.db2.gz JFAWIOOPCJWWIH-OAHLLOKOSA-N 2 0 337.468 -0.905 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C[C@H]1[NH3+] ZINC000926336468 650386839 /nfs/dbraw/zinc/38/68/39/650386839.db2.gz GBDDUXJXUQRCFJ-TZMCWYRMSA-N 2 0 326.441 -0.903 20 0 EBADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000926348620 650388002 /nfs/dbraw/zinc/38/80/02/650388002.db2.gz SZORDLYYKUNAEK-INIZCTEOSA-N 2 0 338.452 -0.615 20 0 EBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)CC[C@@H]21 ZINC000926368010 650389991 /nfs/dbraw/zinc/38/99/91/650389991.db2.gz PRKIPLBVYQALJV-JONQDZQNSA-N 2 0 334.464 -0.003 20 0 EBADRP C[NH+](C)CC1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000926414585 650392202 /nfs/dbraw/zinc/39/22/02/650392202.db2.gz YYTMLSHRXFFNOL-INIZCTEOSA-N 2 0 326.441 -0.901 20 0 EBADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000927628954 651504239 /nfs/dbraw/zinc/50/42/39/651504239.db2.gz BPWWAKPAKRQFQT-GOEBONIOSA-N 2 0 338.452 -0.300 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[C@H]1C[NH3+] ZINC000927893557 651511407 /nfs/dbraw/zinc/51/14/07/651511407.db2.gz HSDBXYJSAZETIZ-STQMWFEESA-N 2 0 336.440 -0.174 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)C[NH+](C)C ZINC000929508584 651551584 /nfs/dbraw/zinc/55/15/84/651551584.db2.gz CPJPZSUQBRAIDG-UKRRQHHQSA-N 2 0 340.468 -0.330 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)C[NH+](C)C ZINC000929991781 651574666 /nfs/dbraw/zinc/57/46/66/651574666.db2.gz JISZXTRKORZTQH-GJZGRUSLSA-N 2 0 340.468 -0.330 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)C[NH+](C)C ZINC000930653525 651606256 /nfs/dbraw/zinc/60/62/56/651606256.db2.gz VOYVYLVNXWWCDH-ZFWWWQNUSA-N 2 0 340.468 -0.164 20 0 EBADRP C[C@H]1CN(CCS(C)(=O)=O)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944171092 652700894 /nfs/dbraw/zinc/70/08/94/652700894.db2.gz WFRHVSYIVGPBKT-KBPBESRZSA-N 2 0 343.493 -0.047 20 0 EBADRP C[C@@H](O)C[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC000941567056 652807523 /nfs/dbraw/zinc/80/75/23/652807523.db2.gz PJULJIPKHDVHMR-OAHLLOKOSA-N 2 0 338.496 -0.073 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CN(C(=O)CCc3ncc[nH]3)CCO2)C1 ZINC000944597171 652897323 /nfs/dbraw/zinc/89/73/23/652897323.db2.gz PNLADLACURNGLE-KGLIPLIRSA-N 2 0 349.435 -0.362 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+]([C@H]4CCNC4=O)C[C@H]3CC2)C1 ZINC000946892607 653257360 /nfs/dbraw/zinc/25/73/60/653257360.db2.gz HKNJORHURDSXLI-FZKCQIBNSA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC2(CC1)C[NH+](CCO)CCO2 ZINC000949470746 653900900 /nfs/dbraw/zinc/90/09/00/653900900.db2.gz IXIMOVPLEWPNKT-GJZGRUSLSA-N 2 0 325.453 -0.130 20 0 EBADRP COCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000958076700 722301335 /nfs/dbraw/zinc/30/13/35/722301335.db2.gz JXHVPNHVENVHSE-ZFWWWQNUSA-N 2 0 339.440 -0.886 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2C[N@H+](CCCF)C[C@H]2O)n1 ZINC000958077381 722301688 /nfs/dbraw/zinc/30/16/88/722301688.db2.gz UIFRYKNSTRVAAU-DZGCQCFKSA-N 2 0 341.431 -0.173 20 0 EBADRP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1C[N@H+](CCO)C[C@H]1O ZINC000958116792 722305986 /nfs/dbraw/zinc/30/59/86/722305986.db2.gz IPDZAPGYJWQCNN-QWHCGFSZSA-N 2 0 327.450 -0.176 20 0 EBADRP Cn1cc(C[N@@H+]2C[C@H](O)[C@@H](CNC(=O)C34CCC[NH+]3CCC4)C2)cn1 ZINC000958214583 722328401 /nfs/dbraw/zinc/32/84/01/722328401.db2.gz JTECBIFVJCKFSM-HOTGVXAUSA-N 2 0 347.463 -0.043 20 0 EBADRP O=C(NC[C@@H]1C[N@H+](CCCO)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC000958249063 722333570 /nfs/dbraw/zinc/33/35/70/722333570.db2.gz RHHHLTHNSNLEME-CZUORRHYSA-N 2 0 345.403 -0.328 20 0 EBADRP COCC[N@H+]1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](O)C1 ZINC000958248791 722333579 /nfs/dbraw/zinc/33/35/79/722333579.db2.gz OUDCBWXZBJBJTC-CZUORRHYSA-N 2 0 345.403 -0.064 20 0 EBADRP COCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000958467386 722371359 /nfs/dbraw/zinc/37/13/59/722371359.db2.gz HRBGMTXRUXHJFM-HIFRSBDPSA-N 2 0 339.440 -0.886 20 0 EBADRP O=C(NC[C@@H]1C[N@H+](CCCO)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC000958581697 722395204 /nfs/dbraw/zinc/39/52/04/722395204.db2.gz RLOMSAJJQFOCIR-SJORKVTESA-N 2 0 339.480 -0.100 20 0 EBADRP Cn1cc(C[N@@H+]2C[C@H](O)[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC000958592563 722397582 /nfs/dbraw/zinc/39/75/82/722397582.db2.gz RTXPJWJMQILAER-GJZGRUSLSA-N 2 0 333.436 -0.575 20 0 EBADRP CC[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC000958757777 722427604 /nfs/dbraw/zinc/42/76/04/722427604.db2.gz MDBQXTMYNCTFIO-XGUBFFRZSA-N 2 0 340.468 -0.549 20 0 EBADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000958913850 722653357 /nfs/dbraw/zinc/65/33/57/722653357.db2.gz JIRDPBZRZOPFQD-XGUBFFRZSA-N 2 0 338.452 -0.938 20 0 EBADRP O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2)N1CCC1 ZINC000959924871 722775511 /nfs/dbraw/zinc/77/55/11/722775511.db2.gz SFWWRCIIVYQWKG-AIANPOQGSA-N 2 0 332.448 -0.393 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC000960583899 722841412 /nfs/dbraw/zinc/84/14/12/722841412.db2.gz YOXXUWUYCYCJJQ-BARDWOONSA-N 2 0 335.452 -0.458 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)C12CCC[NH+]1CCC2 ZINC000960767968 722863046 /nfs/dbraw/zinc/86/30/46/722863046.db2.gz GDAONUXRRLRXAX-COMQUAJESA-N 2 0 346.431 -0.534 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)c1ccc2c[nH+]cn2c1 ZINC000961148469 722906251 /nfs/dbraw/zinc/90/62/51/722906251.db2.gz KEHWAABKPMQWKH-BARDWOONSA-N 2 0 325.372 -0.117 20 0 EBADRP CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000961339368 723006564 /nfs/dbraw/zinc/00/65/64/723006564.db2.gz CXXSHTVBLWYXAT-ABFRBSLYSA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC000961769280 723076922 /nfs/dbraw/zinc/07/69/22/723076922.db2.gz DDHXHPOGQQDEQO-TTZDDIAXSA-N 2 0 335.452 -0.458 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NC1CC(C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000962306677 723222754 /nfs/dbraw/zinc/22/27/54/723222754.db2.gz PZZUJFMKUGHSTA-HIFPTAJRSA-N 2 0 336.440 -0.423 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[NH+](CCN4CCCC4=O)C[C@H]32)C1 ZINC000962311220 723223876 /nfs/dbraw/zinc/22/38/76/723223876.db2.gz XDORSZMHFKJJAJ-BSXFFOKHSA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@H+](CCCN3C(=O)CNC3=O)C[C@H]21 ZINC000962575826 723287570 /nfs/dbraw/zinc/28/75/70/723287570.db2.gz JRXWRUQCEHBCKB-VIKVFOODSA-N 2 0 349.435 -0.930 20 0 EBADRP Cn1nncc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001019168853 728814464 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MHIVHOODNOGONQ-RYUDHWBXSA-N 2 0 325.413 -0.931 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000968629366 725091111 /nfs/dbraw/zinc/09/11/11/725091111.db2.gz IZAVEFFYZOBCIM-ILXRZTDVSA-N 2 0 338.452 -0.746 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC000968728340 725109804 /nfs/dbraw/zinc/10/98/04/725109804.db2.gz JOQUHHRJVZOEKI-MGPQQGTHSA-N 2 0 336.436 -0.334 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)C1CC1 ZINC000968915299 725128688 /nfs/dbraw/zinc/12/86/88/725128688.db2.gz HNJAPDDPWZXOEN-CJNGLKHVSA-N 2 0 336.436 -0.334 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)[NH+](C)C ZINC000969077296 725148602 /nfs/dbraw/zinc/14/86/02/725148602.db2.gz PBOYCCSNUMTIBW-MGPQQGTHSA-N 2 0 331.482 -0.048 20 0 EBADRP O=C(c1ccn2c[nH+]cc2c1)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC000969216340 725162393 /nfs/dbraw/zinc/16/23/93/725162393.db2.gz VHWFYUBLCLBQSD-TZMCWYRMSA-N 2 0 341.371 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O=C(N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC000970589316 725303149 /nfs/dbraw/zinc/30/31/49/725303149.db2.gz ILFQFURFQVVJBQ-KDOFPFPSSA-N 2 0 348.447 -0.188 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CCN3CCCS3(=O)=O)C2)C1 ZINC000970713066 725319912 /nfs/dbraw/zinc/31/99/12/725319912.db2.gz WJXIIMOHLURWQQ-UONOGXRCSA-N 2 0 344.481 -0.836 20 0 EBADRP C[N@H+](CCN1CCNC1=O)[C@@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC000971654245 725428322 /nfs/dbraw/zinc/42/83/22/725428322.db2.gz YFMGJDUBYQSTMN-CQSZACIVSA-N 2 0 334.424 -0.100 20 0 EBADRP C[N@H+]([C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)[C@H]1CCC(=O)NC1=O ZINC000972235840 725482297 /nfs/dbraw/zinc/48/22/97/725482297.db2.gz RPKHJIFSIOMVEC-KBPBESRZSA-N 2 0 336.436 -0.334 20 0 EBADRP C[NH+](C)C1(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCCNC3=O)C2)CCC1 ZINC001051651368 735292689 /nfs/dbraw/zinc/29/26/89/735292689.db2.gz KWSFOCXGOTVSDO-KBPBESRZSA-N 2 0 338.452 -0.434 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)C[NH+]3CCCC3)C2)C1 ZINC000991755383 725606118 /nfs/dbraw/zinc/60/61/18/725606118.db2.gz JRVSFFGUUARUED-OAHLLOKOSA-N 2 0 338.452 -0.482 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC[N@@H+]1C ZINC000992090262 725722389 /nfs/dbraw/zinc/72/23/89/725722389.db2.gz RWKFCPZLJOMGOS-DAXOMENPSA-N 2 0 334.464 -0.005 20 0 EBADRP CCN1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000992346623 725783767 /nfs/dbraw/zinc/78/37/67/725783767.db2.gz UHDQLJFKRXYKRA-BPLDGKMQSA-N 2 0 338.452 -0.626 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3CN(C)CCO3)C2)C1 ZINC000974001902 725845497 /nfs/dbraw/zinc/84/54/97/725845497.db2.gz YKFJPAHLPPYLDW-BYNSBNAKSA-N 2 0 338.452 -0.578 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2C[C@H]([NH2+]CC(N)=O)C(C)(C)C2)n1 ZINC000995811504 726303208 /nfs/dbraw/zinc/30/32/08/726303208.db2.gz GUBUNCTZUDWECL-ZDUSSCGKSA-N 2 0 336.440 -0.630 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000976560406 726350642 /nfs/dbraw/zinc/35/06/42/726350642.db2.gz WCRSUQPNGUIDDT-ZOFXXKQRSA-N 2 0 346.475 -0.005 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]32)CC[N@@H+]1C ZINC000976601063 726358734 /nfs/dbraw/zinc/35/87/34/726358734.db2.gz QBJJOGLRNXUXKV-NPCUJANDSA-N 2 0 334.464 -0.005 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CCC([NH2+][C@@H]3CCNC3=O)CC2)n1 ZINC000996580075 726418973 /nfs/dbraw/zinc/41/89/73/726418973.db2.gz HDKBSRILUBHIIE-CQSZACIVSA-N 2 0 348.451 -0.473 20 0 EBADRP Cn1cc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)nn1 ZINC000996618239 726420333 /nfs/dbraw/zinc/42/03/33/726420333.db2.gz FEUNUAWMAHOMBJ-JKSUJKDBSA-N 2 0 348.451 -0.241 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC000996723307 726423824 /nfs/dbraw/zinc/42/38/24/726423824.db2.gz LEVQPLWFUWNWKV-ZIAGYGMSSA-N 2 0 336.436 -0.144 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)nc1=O ZINC000996945433 726433658 /nfs/dbraw/zinc/43/36/58/726433658.db2.gz JQMIIIGDLFOZBZ-UHFFFAOYSA-N 2 0 336.440 -0.469 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]CCN3C(=O)CCC3=O)CC2)C1 ZINC000997299975 726445450 /nfs/dbraw/zinc/44/54/50/726445450.db2.gz SQSIUOBFPLWFKS-CYBMUJFWSA-N 2 0 336.436 -0.332 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]C[C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000997304394 726445522 /nfs/dbraw/zinc/44/55/22/726445522.db2.gz UMRXFBZKPSZKQP-ZIAGYGMSSA-N 2 0 343.493 -0.047 20 0 EBADRP Cn1nnnc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000997785245 726464539 /nfs/dbraw/zinc/46/45/39/726464539.db2.gz VXBPJTOWCBFYGP-OAHLLOKOSA-N 2 0 347.467 -0.120 20 0 EBADRP Cn1nnnc1C[NH2+]CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000998028056 726473430 /nfs/dbraw/zinc/47/34/30/726473430.db2.gz PBNPQAWLTGCOFV-UHFFFAOYSA-N 2 0 335.456 -0.120 20 0 EBADRP NC(=O)C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C(F)(F)F ZINC000998304916 726484266 /nfs/dbraw/zinc/48/42/66/726484266.db2.gz PQGMVTXTUNSDLI-MNOVXSKESA-N 2 0 348.369 -0.064 20 0 EBADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]CC(=O)N2CCOCC2)C1 ZINC000998553415 726490668 /nfs/dbraw/zinc/49/06/68/726490668.db2.gz WQKHZRJOCSZJML-YMAMQOFZSA-N 2 0 338.452 -0.482 20 0 EBADRP CN(C(=O)C1CC[NH+](C)CC1)C1CC([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000999343805 726515215 /nfs/dbraw/zinc/51/52/15/726515215.db2.gz RIQVAEIVLAYKCS-UHFFFAOYSA-N 2 0 336.440 -0.471 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]CCN3CCNC3=O)C2)C1 ZINC000999407061 726518757 /nfs/dbraw/zinc/51/87/57/726518757.db2.gz CNNIYTUCZADBQK-NFOMZHRRSA-N 2 0 337.468 -0.068 20 0 EBADRP Cc1nc[nH]c1CC(=O)N(C)C1CC([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC000999747772 726530697 /nfs/dbraw/zinc/53/06/97/726530697.db2.gz PRJIGCIUXPDSJV-MCIGGMRASA-N 2 0 333.392 -0.355 20 0 EBADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]CC(=O)N2CCOCC2)C1 ZINC000999836253 726534260 /nfs/dbraw/zinc/53/42/60/726534260.db2.gz ITYPFPDMENMIMR-NFOMZHRRSA-N 2 0 338.452 -0.624 20 0 EBADRP O=C(NCc1cn([C@H]2CC[N@@H+](CCO)C2)nn1)[C@H]1C[NH+]2CCC1CC2 ZINC000999986995 726547511 /nfs/dbraw/zinc/54/75/11/726547511.db2.gz MKNCEUNCJBSJAM-HOTGVXAUSA-N 2 0 348.451 -0.525 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCc1cn([C@H]2CC[NH+](CCO)C2)nn1 ZINC000999996491 726548532 /nfs/dbraw/zinc/54/85/32/726548532.db2.gz JPBYYVYUHQARPG-LSDHHAIUSA-N 2 0 336.440 -0.382 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1)C(N)=O ZINC001000435625 726566903 /nfs/dbraw/zinc/56/69/03/726566903.db2.gz ZRUIFFNQIDHZLM-GXTWGEPZSA-N 2 0 336.440 -0.487 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001000919729 726583841 /nfs/dbraw/zinc/58/38/41/726583841.db2.gz QOSYVHHWRAELCW-GJZGRUSLSA-N 2 0 338.452 -0.623 20 0 EBADRP NC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001001645592 726614008 /nfs/dbraw/zinc/61/40/08/726614008.db2.gz JDZZBHZRYMLARK-UUCFBXCCSA-N 2 0 336.436 -0.837 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)[C@@]34CC[NH+](C3)CCC4)C2)C1 ZINC001001983378 726629109 /nfs/dbraw/zinc/62/91/09/726629109.db2.gz YHYQTCYVISYXLW-QAPCUYQASA-N 2 0 334.464 -0.001 20 0 EBADRP O=C(NCC1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1)C12CC[NH+](CC1)C2 ZINC001003330986 726669958 /nfs/dbraw/zinc/66/99/58/726669958.db2.gz JTTLMDAAANIRSS-MRXNPFEDSA-N 2 0 346.475 -0.001 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)C1 ZINC001003976873 726696547 /nfs/dbraw/zinc/69/65/47/726696547.db2.gz SRMSPOTTWGQUQA-OCCSQVGLSA-N 2 0 336.436 -0.286 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001009525721 726928334 /nfs/dbraw/zinc/92/83/34/726928334.db2.gz WLYLKUYQSQLVAG-CVEARBPZSA-N 2 0 335.452 -0.080 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCN2C(=O)CNC2=O)C1 ZINC001010381864 727081063 /nfs/dbraw/zinc/08/10/63/727081063.db2.gz DQAXUSQYIASXKU-OLZOCXBDSA-N 2 0 337.424 -0.787 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)C1 ZINC001051825659 735417403 /nfs/dbraw/zinc/41/74/03/735417403.db2.gz VCNGHDFBSGYQRB-KBPBESRZSA-N 2 0 338.452 -0.576 20 0 EBADRP CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001051932146 735469803 /nfs/dbraw/zinc/46/98/03/735469803.db2.gz LOSMOABUGPZCAB-UKRRQHHQSA-N 2 0 336.440 -0.433 20 0 EBADRP O=C(N[C@@H]1CC[N@H+](CCn2cccn2)C1)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001015326308 728399256 /nfs/dbraw/zinc/39/92/56/728399256.db2.gz YOOYMWMJMAXQFB-NDUQDZPOSA-N 2 0 345.447 -0.063 20 0 EBADRP O=C(N[C@H]1CC[N@H+](CCn2cccn2)C1)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001015326305 728399442 /nfs/dbraw/zinc/39/94/42/728399442.db2.gz YOOYMWMJMAXQFB-LPMVOBIJSA-N 2 0 345.447 -0.063 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CCN3CCCS3(=O)=O)C2)C1 ZINC001019772920 728988382 /nfs/dbraw/zinc/98/83/82/728988382.db2.gz WJXIIMOHLURWQQ-KGLIPLIRSA-N 2 0 344.481 -0.836 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001020143666 729083177 /nfs/dbraw/zinc/08/31/77/729083177.db2.gz ACHYYIFMTMDHMI-XDQVBPFNSA-N 2 0 336.436 -0.099 20 0 EBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001020165960 729089117 /nfs/dbraw/zinc/08/91/17/729089117.db2.gz IIKATVLMQAXQID-KQTLUZQSSA-N 2 0 338.452 -0.545 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC001020172147 729089752 /nfs/dbraw/zinc/08/97/52/729089752.db2.gz OEMYDAIXUOEEBN-FDYHWXHSSA-N 2 0 337.424 -0.885 20 0 EBADRP Cn1cnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001020178805 729092238 /nfs/dbraw/zinc/09/22/38/729092238.db2.gz FOHJGRPKOJFZOF-XUXIUFHCSA-N 2 0 334.424 -0.585 20 0 EBADRP CN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1=O ZINC001020406997 729160634 /nfs/dbraw/zinc/16/06/34/729160634.db2.gz JWDXNMGKUCEBCH-HUFQEZISSA-N 2 0 348.447 -0.683 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)nc1=O ZINC001020432505 729166168 /nfs/dbraw/zinc/16/61/68/729166168.db2.gz PFRPOKALAFMVNL-YDHLFZDLSA-N 2 0 348.451 -0.280 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001020509539 729189390 /nfs/dbraw/zinc/18/93/90/729189390.db2.gz XPXDPTPWVKKKBK-CYDGBPFRSA-N 2 0 336.440 -0.425 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnc4n3CCOC4)C2)CC1 ZINC001020541958 729198528 /nfs/dbraw/zinc/19/85/28/729198528.db2.gz TWTSCSUKWJLHOK-HDJSIYSDSA-N 2 0 348.451 -0.113 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001020592579 729207049 /nfs/dbraw/zinc/20/70/49/729207049.db2.gz ITXIDKIKULIIBS-SYQHCUMBSA-N 2 0 348.451 -0.257 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)nc1=O ZINC001020719703 729222624 /nfs/dbraw/zinc/22/26/24/729222624.db2.gz PHUCCLXAHHAZIL-SYQHCUMBSA-N 2 0 348.451 -0.138 20 0 EBADRP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001020818492 729243231 /nfs/dbraw/zinc/24/32/31/729243231.db2.gz PAKOMGVLPQVOII-IHRRRGAJSA-N 2 0 336.436 -0.240 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001020938712 729258629 /nfs/dbraw/zinc/25/86/29/729258629.db2.gz UEROSPDQBCPAJB-NQBHXWOUSA-N 2 0 345.403 -0.197 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnc4n3CCOC4)C2)C1 ZINC001021047989 729274962 /nfs/dbraw/zinc/27/49/62/729274962.db2.gz TYBMXMVSLIRAHK-AVGNSLFASA-N 2 0 334.424 -0.503 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3CCCS3(=O)=O)C2)C1 ZINC001021048376 729275234 /nfs/dbraw/zinc/27/52/34/729275234.db2.gz YQHCPLNEOFMKMV-MGPQQGTHSA-N 2 0 344.481 -0.790 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001021050374 729275372 /nfs/dbraw/zinc/27/53/72/729275372.db2.gz GMUFQJOLAPGBHE-MGPQQGTHSA-N 2 0 329.466 -0.246 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001021898378 729344193 /nfs/dbraw/zinc/34/41/93/729344193.db2.gz ZCYNIMWHHOZDIZ-MJBXVCDLSA-N 2 0 344.481 -0.647 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)nc1=O ZINC001022089594 729453455 /nfs/dbraw/zinc/45/34/55/729453455.db2.gz KNVPRAICEQCWRE-XQQFMLRXSA-N 2 0 334.424 -0.813 20 0 EBADRP O=C(N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001022118960 729457211 /nfs/dbraw/zinc/45/72/11/729457211.db2.gz BBSBLSSICPQTKP-LJISPDSOSA-N 2 0 334.424 -0.622 20 0 EBADRP Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022118923 729457253 /nfs/dbraw/zinc/45/72/53/729457253.db2.gz ANKXNJKCSYTYBO-COMQUAJESA-N 2 0 334.424 -0.585 20 0 EBADRP O=C(C[NH2+][C@@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1)N1CCC1 ZINC001022451655 729495102 /nfs/dbraw/zinc/49/51/02/729495102.db2.gz DNJXZVMMDIXRAJ-QAVLVDEHSA-N 2 0 348.447 -0.681 20 0 EBADRP CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)[NH+]1CCCC1 ZINC001022533691 729504759 /nfs/dbraw/zinc/50/47/59/729504759.db2.gz FFABHOSHTYDNSY-XQQFMLRXSA-N 2 0 336.436 -0.097 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+](CCN3CCNC3=O)C2)C1 ZINC001023750250 729792691 /nfs/dbraw/zinc/79/26/91/729792691.db2.gz IZEKJLOENXHRSN-GJZGRUSLSA-N 2 0 337.468 -0.209 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1)[NH+](C)C ZINC001023793775 729800436 /nfs/dbraw/zinc/80/04/36/729800436.db2.gz QSMDQVNUYVSGAY-HZSPNIEDSA-N 2 0 326.441 -0.890 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1)[NH+](C)C ZINC001024161171 729853375 /nfs/dbraw/zinc/85/33/75/729853375.db2.gz HMTSWERAMFEVQY-OLZOCXBDSA-N 2 0 338.456 -0.223 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001024501811 729895186 /nfs/dbraw/zinc/89/51/86/729895186.db2.gz IZAVEFFYZOBCIM-QLFBSQMISA-N 2 0 338.452 -0.746 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)[C@@H]1C[NH+]2CCC1CC2 ZINC001025787210 730088188 /nfs/dbraw/zinc/08/81/88/730088188.db2.gz ADHGTRCFPYBBGN-SSZWKKLZSA-N 2 0 346.431 -0.820 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCCN(C)C4=O)C[C@H]32)CC[N@@H+]1C ZINC001025794046 730089472 /nfs/dbraw/zinc/08/94/72/730089472.db2.gz PDJBDDJBWPSZKH-ODICJLLRSA-N 2 0 334.464 -0.006 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001026040879 730117289 /nfs/dbraw/zinc/11/72/89/730117289.db2.gz SVLSFEADLBVPNX-CQUYNDQOSA-N 2 0 334.420 -0.678 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)N3CCCC3)C[C@H]21 ZINC001026044910 730117937 /nfs/dbraw/zinc/11/79/37/730117937.db2.gz USEGMIIWTOKNHN-NMNMXBMNSA-N 2 0 334.464 -0.147 20 0 EBADRP CC(C)N1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001026145978 730125538 /nfs/dbraw/zinc/12/55/38/730125538.db2.gz BQGPOZYZMDCXRJ-ARKGTOAJSA-N 2 0 334.464 -0.006 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CCO)[C@@H]3C2)cn1 ZINC001026373840 730141336 /nfs/dbraw/zinc/14/13/36/730141336.db2.gz UQWNKOMHSGFYHQ-IMJJTQAJSA-N 2 0 335.452 -0.123 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2C[C@@H]3CC[C@H]([NH2+]CCO)[C@H]3C2)CC1 ZINC001026389764 730142766 /nfs/dbraw/zinc/14/27/66/730142766.db2.gz HPIJSJFZMKDTHW-BPUTZDHNSA-N 2 0 325.453 -0.084 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001027064611 730185989 /nfs/dbraw/zinc/18/59/89/730185989.db2.gz HYYPSIOMLRGOTP-CHWSQXEVSA-N 2 0 336.440 -0.612 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001027062859 730186099 /nfs/dbraw/zinc/18/60/99/730186099.db2.gz CTCSGMPXFKDRCA-QWHCGFSZSA-N 2 0 336.440 -0.469 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnc4n3CCOC4)C2)C1 ZINC001027215998 730199836 /nfs/dbraw/zinc/19/98/36/730199836.db2.gz PXOXGWMLLKVDAL-KGLIPLIRSA-N 2 0 348.451 -0.302 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCN1C(=O)CCC1=O ZINC001027790699 730238915 /nfs/dbraw/zinc/23/89/15/730238915.db2.gz USUNNRUDDNUPLX-KGLIPLIRSA-N 2 0 336.436 -0.190 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCN2C(=O)CNC2=O)C1 ZINC001028314384 730282830 /nfs/dbraw/zinc/28/28/30/730282830.db2.gz TXQLWLSTVSBGIO-OLZOCXBDSA-N 2 0 337.424 -0.930 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(=O)N2CCOCC2)C1 ZINC001028447036 730293204 /nfs/dbraw/zinc/29/32/04/730293204.db2.gz LFWXIFGQIHGGOE-GJZGRUSLSA-N 2 0 338.452 -0.623 20 0 EBADRP O=C(NC[C@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001028931412 730372420 /nfs/dbraw/zinc/37/24/20/730372420.db2.gz QAQFEAKNDHZVTH-HZPDHXFCSA-N 2 0 347.463 -0.222 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+](CCN3C(=O)CCC3=O)C2)C1 ZINC001028982406 730377969 /nfs/dbraw/zinc/37/79/69/730377969.db2.gz KKMGUHJGHHLPPN-KGLIPLIRSA-N 2 0 336.436 -0.475 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C[C@H](O)Cn2cccn2)C1 ZINC001029584571 730411797 /nfs/dbraw/zinc/41/17/97/730411797.db2.gz YNBZBJCMSYNNMN-MWDXBVQZSA-N 2 0 347.463 -0.129 20 0 EBADRP Cn1[nH]c(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)nc1=O ZINC001029902674 730522263 /nfs/dbraw/zinc/52/22/63/730522263.db2.gz UUBIDVPUVQBPQZ-STQMWFEESA-N 2 0 336.440 -0.660 20 0 EBADRP O=C(NCC1C[NH+](CCn2cccn2)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001031688519 730750508 /nfs/dbraw/zinc/75/05/08/730750508.db2.gz HCRYZVZUNYNRPD-JKSUJKDBSA-N 2 0 333.436 -0.206 20 0 EBADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC001033594938 731045474 /nfs/dbraw/zinc/04/54/74/731045474.db2.gz SVJCIOKRYYAZMK-HOTGVXAUSA-N 2 0 347.463 -0.128 20 0 EBADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001033596365 731045769 /nfs/dbraw/zinc/04/57/69/731045769.db2.gz YQWDMVUDUNWLDP-CQSZACIVSA-N 2 0 335.452 -0.360 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001034610488 731145417 /nfs/dbraw/zinc/14/54/17/731145417.db2.gz RCTSYXTUKJVFJM-XUXIUFHCSA-N 2 0 336.436 -0.097 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+][C@H]3CCC(=O)NC3=O)CC2)C1 ZINC001034792042 731157218 /nfs/dbraw/zinc/15/72/18/731157218.db2.gz CSKHIJAFARPYEH-SYQHCUMBSA-N 2 0 336.436 -0.240 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001034793436 731157351 /nfs/dbraw/zinc/15/73/51/731157351.db2.gz AOPOHZIJXKRAGL-MGPQQGTHSA-N 2 0 336.436 -0.096 20 0 EBADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]2C[NH2+][C@@H]2CCC(=O)NC2=O)CCC1 ZINC001034957102 731167615 /nfs/dbraw/zinc/16/76/15/731167615.db2.gz JXZJUFKSBDJYGG-CHWSQXEVSA-N 2 0 336.436 -0.144 20 0 EBADRP CC[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC[C@H]1[NH2+]CC(N)=O ZINC001037969276 731275581 /nfs/dbraw/zinc/27/55/81/731275581.db2.gz JUMRZODPEYGEPG-UKRRQHHQSA-N 2 0 340.468 -0.201 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@](O)(CNC(=O)C[NH+](CC)CC)C1)[NH+](C)C ZINC001039785712 731533737 /nfs/dbraw/zinc/53/37/37/731533737.db2.gz LSYVEFUGXNUXDT-YOEHRIQHSA-N 2 0 342.484 -0.252 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CCN(C(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001039857853 731552324 /nfs/dbraw/zinc/55/23/24/731552324.db2.gz HZYWTSCUZYBZOT-CKEIUWERSA-N 2 0 340.468 -0.642 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001040105332 731601673 /nfs/dbraw/zinc/60/16/73/731601673.db2.gz YBNALLDVSJKPBZ-WMLDXEAASA-N 2 0 340.468 -0.642 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001061427744 738538079 /nfs/dbraw/zinc/53/80/79/738538079.db2.gz DFYVKPBGZDWFJC-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001040719106 731846001 /nfs/dbraw/zinc/84/60/01/731846001.db2.gz RBQDPLSAHFEWLT-PBHICJAKSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001040797356 731878697 /nfs/dbraw/zinc/87/86/97/731878697.db2.gz FCNSYGJAHHIHLR-QGZVFWFLSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@]2(O)CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001040927439 731925187 /nfs/dbraw/zinc/92/51/87/731925187.db2.gz RBTRJBLIFMYCQG-YOEHRIQHSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CC[C@]3(CC[N@H+](CC(N)=O)C3)C2)CC1 ZINC001041763166 732217307 /nfs/dbraw/zinc/21/73/07/732217307.db2.gz PTOXUUYTBHOINP-KRWDZBQOSA-N 2 0 338.452 -0.493 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@]3(CC[NH+](CCN4CCNC4=O)C3)C2)C1 ZINC001041829642 732235024 /nfs/dbraw/zinc/23/50/24/732235024.db2.gz ABDOIRYQIHAVMY-MAUKXSAKSA-N 2 0 349.479 -0.112 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@H]3CC[N@H+](CCO)[C@H]3C2)n1 ZINC001042064511 732293829 /nfs/dbraw/zinc/29/38/29/732293829.db2.gz HEIWZLQXDBIFNV-ZBFHGGJFSA-N 2 0 335.452 -0.027 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001061594972 738634455 /nfs/dbraw/zinc/63/44/55/738634455.db2.gz ALKCKABVDNEGGV-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001061595417 738634998 /nfs/dbraw/zinc/63/49/98/738634998.db2.gz JCLZVUUHTXXUMN-UONOGXRCSA-N 2 0 326.441 -0.767 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001043158434 732795038 /nfs/dbraw/zinc/79/50/38/732795038.db2.gz YFJASVQKXTZHIN-ZDUSSCGKSA-N 2 0 326.441 -0.888 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043416267 732923663 /nfs/dbraw/zinc/92/36/63/732923663.db2.gz VOFDNZIMIRCAGY-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001043468205 732958609 /nfs/dbraw/zinc/95/86/09/732958609.db2.gz BOJHJDKWLBKPOW-HNNXBMFYSA-N 2 0 342.484 -0.396 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001043532616 732995840 /nfs/dbraw/zinc/99/58/40/732995840.db2.gz BLNYAAKIVUROMS-UHFFFAOYSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[C@H](C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1)[NH+](C)C ZINC001043678926 733056082 /nfs/dbraw/zinc/05/60/82/733056082.db2.gz UQDPZFDOWJWUHY-UONOGXRCSA-N 2 0 340.468 -0.642 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001061651696 738673215 /nfs/dbraw/zinc/67/32/15/738673215.db2.gz VQMPWBUEVNJGCU-CABCVRRESA-N 2 0 340.468 -0.378 20 0 EBADRP CC[C@H](C(=O)NCC1(O)CN(C(=O)C[N@H+](C)C(C)C)C1)[NH+](C)C ZINC001043682072 733058268 /nfs/dbraw/zinc/05/82/68/733058268.db2.gz MYMGFCBCGZKDKL-CYBMUJFWSA-N 2 0 328.457 -0.644 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001044011500 733245858 /nfs/dbraw/zinc/24/58/58/733245858.db2.gz PTXOQLGCYZFOQN-CQSZACIVSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[C@H](C(=O)N1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1)[NH+](C)C ZINC001044023436 733250296 /nfs/dbraw/zinc/25/02/96/733250296.db2.gz MSABEYMLMGUJRB-CYBMUJFWSA-N 2 0 338.452 -0.888 20 0 EBADRP CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@H](CC)[NH+](C)C)C1)[NH+](C)C ZINC001044041506 733258474 /nfs/dbraw/zinc/25/84/74/733258474.db2.gz LFNRPDBLTZAYQK-QWHCGFSZSA-N 2 0 328.457 -0.644 20 0 EBADRP CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)[NH+](C)C ZINC001044043941 733259988 /nfs/dbraw/zinc/25/99/88/733259988.db2.gz HYXQWSINWHROLN-MCIONIFRSA-N 2 0 340.468 -0.644 20 0 EBADRP CC[C@@H](C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1)[NH+](C)C ZINC001044044887 733261104 /nfs/dbraw/zinc/26/11/04/733261104.db2.gz UQDPZFDOWJWUHY-KGLIPLIRSA-N 2 0 340.468 -0.642 20 0 EBADRP CCC[NH+](C)CC(=O)N1CC(O)(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001044291052 733361191 /nfs/dbraw/zinc/36/11/91/733361191.db2.gz LWZFPORTLMJODU-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001044294595 733362986 /nfs/dbraw/zinc/36/29/86/733362986.db2.gz OGFDMKJTPHTDQQ-UHFFFAOYSA-N 2 0 340.468 -0.496 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)C1 ZINC001044298546 733366017 /nfs/dbraw/zinc/36/60/17/733366017.db2.gz NMBZIVOUTQAABE-KGLIPLIRSA-N 2 0 340.468 -0.785 20 0 EBADRP CC[C@@H](C(=O)NC[C@@H]1COCCN1C(=O)C[NH+]1CCCC1)[NH+](C)C ZINC001061723702 738724074 /nfs/dbraw/zinc/72/40/74/738724074.db2.gz CJNORNZPYKBFNM-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001061723904 738724187 /nfs/dbraw/zinc/72/41/87/738724187.db2.gz GVKVYSSQHKUGPU-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2C[NH+]3CCC2CC3)nc1=O ZINC001045039616 733563331 /nfs/dbraw/zinc/56/33/31/733563331.db2.gz LVENDWBHXCJWSE-UONOGXRCSA-N 2 0 348.451 -0.469 20 0 EBADRP CN1CC[C@@H]([NH+]2CCC(C)(NC(=O)[C@H]3CN(C)CCO3)CC2)C1=O ZINC001045397527 733686370 /nfs/dbraw/zinc/68/63/70/733686370.db2.gz FKIGZDTWPQESKN-ZIAGYGMSSA-N 2 0 338.452 -0.482 20 0 EBADRP C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001045413659 733690313 /nfs/dbraw/zinc/69/03/13/733690313.db2.gz VNVCSRNUCDNZMT-ZDUSSCGKSA-N 2 0 326.441 -0.888 20 0 EBADRP C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001045413648 733690328 /nfs/dbraw/zinc/69/03/28/733690328.db2.gz VDSXZJXNJAVKSU-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2CCN([C@H]3CC[NH+](CCO)C3)CC2)CC[N@@H+]1C ZINC001046032265 733817361 /nfs/dbraw/zinc/81/73/61/733817361.db2.gz HWLCIOPMIVBCRN-YESZJQIVSA-N 2 0 338.496 -0.073 20 0 EBADRP CC[C@H](C(=O)N1CCN([C@@H]2CC[N@H+](CCCO)C2)CC1)[NH+](C)C ZINC001046038322 733823032 /nfs/dbraw/zinc/82/30/32/733823032.db2.gz KLWILTHTIBNCDC-HZPDHXFCSA-N 2 0 326.485 -0.073 20 0 EBADRP CNC(=O)CN1CC[C@](C)(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001046499953 733948970 /nfs/dbraw/zinc/94/89/70/733948970.db2.gz AAEXOHMMDKRLDX-FNIIMMMJSA-N 2 0 336.436 -0.824 20 0 EBADRP CC[C@@H](C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1)[NH+](C)C ZINC001046670962 733994583 /nfs/dbraw/zinc/99/45/83/733994583.db2.gz BZCDSBLIMDHSRO-KGLIPLIRSA-N 2 0 340.468 -0.500 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046671734 733995110 /nfs/dbraw/zinc/99/51/10/733995110.db2.gz LGFOAAOHHDSDGL-KGLIPLIRSA-N 2 0 338.452 -0.888 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001046672196 733996074 /nfs/dbraw/zinc/99/60/74/733996074.db2.gz QLZUZHQZPBOZSR-AWEZNQCLSA-N 2 0 338.452 -0.744 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001046672624 733996595 /nfs/dbraw/zinc/99/65/95/733996595.db2.gz XLCLTPPUASPDAA-ZDUSSCGKSA-N 2 0 326.441 -0.888 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001046677876 734000375 /nfs/dbraw/zinc/00/03/75/734000375.db2.gz ZHKSDXBHWQQIDV-KGLIPLIRSA-N 2 0 338.452 -0.888 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001061859061 738789444 /nfs/dbraw/zinc/78/94/44/738789444.db2.gz DDNJYZVBAMROMV-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001061862400 738791349 /nfs/dbraw/zinc/79/13/49/738791349.db2.gz SRCSMPQJDMBIGW-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(C(=O)c1ccccc1CC[NH+](C)C)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047473746 734212681 /nfs/dbraw/zinc/21/26/81/734212681.db2.gz WXRHRYHJAYWCRD-IRXDYDNUSA-N 2 0 335.448 -0.100 20 0 EBADRP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001047511769 734233483 /nfs/dbraw/zinc/23/34/83/734233483.db2.gz RTJXVUTWANNQOV-IRXDYDNUSA-N 2 0 349.479 -0.192 20 0 EBADRP Cc1cc(C)n(CC[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001047629184 734290839 /nfs/dbraw/zinc/29/08/39/734290839.db2.gz SQNORGZSSJQTLL-IKGGRYGDSA-N 2 0 349.479 -0.045 20 0 EBADRP C[C@H]([NH2+]Cc1nnnn1C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001047960515 734326197 /nfs/dbraw/zinc/32/61/97/734326197.db2.gz TVIGFJRVJBBFPL-GXTWGEPZSA-N 2 0 335.456 -0.122 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001061898108 738803274 /nfs/dbraw/zinc/80/32/74/738803274.db2.gz FKZRZIDBXDXLPQ-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001061898110 738803360 /nfs/dbraw/zinc/80/33/60/738803360.db2.gz FKZRZIDBXDXLPQ-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001048558560 734444597 /nfs/dbraw/zinc/44/45/97/734444597.db2.gz RNNFOPIFMZEGPY-KKUMJFAQSA-N 2 0 340.468 -0.548 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2C1 ZINC001048723603 734483784 /nfs/dbraw/zinc/48/37/84/734483784.db2.gz JTUZEOKNKSCEAR-QLFBSQMISA-N 2 0 335.452 -0.504 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+]([C@@H]4CCCNC4=O)C[C@@H]3C2)CC[N@@H+]1C ZINC001048829770 734528462 /nfs/dbraw/zinc/52/84/62/734528462.db2.gz WRXWSEOGJIDKMR-IBEHDNSVSA-N 2 0 334.464 -0.005 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001048873877 734550082 /nfs/dbraw/zinc/55/00/82/734550082.db2.gz NYXPDDNKYOUDRK-ILXRZTDVSA-N 2 0 340.468 -0.690 20 0 EBADRP C[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@@H]3C2)CC1 ZINC001049025243 734618990 /nfs/dbraw/zinc/61/89/90/734618990.db2.gz PXKKZXRFBGXTBL-XHSDSOJGSA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001049057028 734629079 /nfs/dbraw/zinc/62/90/79/734629079.db2.gz IWCNOKUDSKPAFB-KBXIAJHMSA-N 2 0 348.447 -0.334 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnnn3C)C[C@@H]2C1 ZINC001049059724 734630862 /nfs/dbraw/zinc/63/08/62/734630862.db2.gz DYIVLOOOOLAKEH-TTZDDIAXSA-N 2 0 332.452 -0.097 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@@H]2C1 ZINC001049060023 734631406 /nfs/dbraw/zinc/63/14/06/734631406.db2.gz LQATULHVIOMESY-TTZDDIAXSA-N 2 0 334.464 -0.147 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](CCCO)C[C@@H]3C2)cn1 ZINC001049107921 734646771 /nfs/dbraw/zinc/64/67/71/734646771.db2.gz ATGKHIRUEUTAFG-IYBDPMFKSA-N 2 0 335.452 -0.169 20 0 EBADRP O=C(N1C[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001049173776 734675629 /nfs/dbraw/zinc/67/56/29/734675629.db2.gz HHPZCOODBOBJPM-HZSPNIEDSA-N 2 0 346.431 -0.722 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CCN4C(=O)CCC4=O)C[C@@H]3C2)C1 ZINC001049215495 734687559 /nfs/dbraw/zinc/68/75/59/734687559.db2.gz XFXZEYRQBQMXRE-KFWWJZLASA-N 2 0 348.447 -0.523 20 0 EBADRP CN(C(=O)CC[NH+](C)C)[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001049435558 734729425 /nfs/dbraw/zinc/72/94/25/734729425.db2.gz OLYKQQWWEHTOAR-KBPBESRZSA-N 2 0 326.441 -0.936 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CC[NH+](C)C)C2)C1 ZINC001049435852 734729923 /nfs/dbraw/zinc/72/99/23/734729923.db2.gz UARYTZMOWCWHQJ-KKUMJFAQSA-N 2 0 340.468 -0.690 20 0 EBADRP O=C(N1CC[C@@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001050234394 734875976 /nfs/dbraw/zinc/87/59/76/734875976.db2.gz GSQOXLDQERZPCU-ZIAGYGMSSA-N 2 0 348.447 -0.284 20 0 EBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001053352217 735844397 /nfs/dbraw/zinc/84/43/97/735844397.db2.gz XENFZSRPYSZYPI-LSDHHAIUSA-N 2 0 342.484 -0.273 20 0 EBADRP Cn1nccc1CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)CO2 ZINC001054008566 736147860 /nfs/dbraw/zinc/14/78/60/736147860.db2.gz YYECJTDUBINMMF-HUUCEWRRSA-N 2 0 347.463 -0.126 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)[NH+](C)C ZINC001054296255 736187502 /nfs/dbraw/zinc/18/75/02/736187502.db2.gz CIVUTGVAFJOLNV-IPYPFGDCSA-N 2 0 338.452 -0.042 20 0 EBADRP CO[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055577885 736391553 /nfs/dbraw/zinc/39/15/53/736391553.db2.gz DHIFQTWHYAXPGL-ZIAGYGMSSA-N 2 0 340.468 -0.330 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)c3cocn3)CC2)C1 ZINC001055577763 736391701 /nfs/dbraw/zinc/39/17/01/736391701.db2.gz AONJNRZQTPKUGZ-CYBMUJFWSA-N 2 0 349.435 -0.063 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CCCO2)CC1 ZINC001055633703 736417653 /nfs/dbraw/zinc/41/76/53/736417653.db2.gz ZOPZINYHTZAYGK-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001056104534 736642859 /nfs/dbraw/zinc/64/28/59/736642859.db2.gz DAFLSKYJIBPEMB-KRWDZBQOSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001056106851 736643990 /nfs/dbraw/zinc/64/39/90/736643990.db2.gz XFJNKFUXURWGRW-YOEHRIQHSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001056117941 736646102 /nfs/dbraw/zinc/64/61/02/736646102.db2.gz SWJCGVUCMDTVOS-KRWDZBQOSA-N 2 0 342.484 -0.250 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[NH+]1C ZINC001057212685 737085809 /nfs/dbraw/zinc/08/58/09/737085809.db2.gz SOQVUABPVFXGRL-CABCVRRESA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCN(CCO)C(=O)[C@H]1CCC[NH+]1C ZINC001057212688 737086394 /nfs/dbraw/zinc/08/63/94/737086394.db2.gz SOQVUABPVFXGRL-LSDHHAIUSA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCCN(CCO)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001057213030 737086811 /nfs/dbraw/zinc/08/68/11/737086811.db2.gz CLKHBDBTCVXQKV-CABCVRRESA-N 2 0 340.468 -0.641 20 0 EBADRP CC(C)[C@H](C(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC001057212943 737087211 /nfs/dbraw/zinc/08/72/11/737087211.db2.gz ZRQJYBLNCPJMTB-HUUCEWRRSA-N 2 0 342.484 -0.396 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1CC[NH+](C)C1 ZINC001057631665 737370069 /nfs/dbraw/zinc/37/00/69/737370069.db2.gz CBLMOJLCUGUYQD-HNNXBMFYSA-N 2 0 342.484 -0.393 20 0 EBADRP C[NH+]1CC[C@H](C(=O)N(CCO)CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001057632226 737370809 /nfs/dbraw/zinc/37/08/09/737370809.db2.gz JZGINBLVYCFAMI-CABCVRRESA-N 2 0 340.468 -0.783 20 0 EBADRP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001057632940 737373167 /nfs/dbraw/zinc/37/31/67/737373167.db2.gz ASZQFXOLDVGVKE-AWEZNQCLSA-N 2 0 328.457 -0.783 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057640817 737381318 /nfs/dbraw/zinc/38/13/18/737381318.db2.gz PQICFUHWKXAAKZ-UHFFFAOYSA-N 2 0 328.457 -0.639 20 0 EBADRP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001057659289 737396578 /nfs/dbraw/zinc/39/65/78/737396578.db2.gz OIHXMTSMHIFOJH-AWEZNQCLSA-N 2 0 328.457 -0.641 20 0 EBADRP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1 ZINC001057661471 737398062 /nfs/dbraw/zinc/39/80/62/737398062.db2.gz TXRMTSUGUZKZMR-UHFFFAOYSA-N 2 0 328.457 -0.639 20 0 EBADRP C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)C1([NH+](C)C)CCC1 ZINC001057875033 737494115 /nfs/dbraw/zinc/49/41/15/737494115.db2.gz IZERCALVNMBFNR-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)C1(C(=O)N(CCO)CCNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001057875566 737494428 /nfs/dbraw/zinc/49/44/28/737494428.db2.gz ZXJSDLMNPBTNKK-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@@H](C(=O)NCCN(CCO)C(=O)C1([NH+](C)C)CCC1)[NH+](C)C ZINC001057875533 737494561 /nfs/dbraw/zinc/49/45/61/737494561.db2.gz ZIQQPPQMPAKLJA-AWEZNQCLSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H](C1CC1)[NH+](C)C)[NH+](C)C ZINC001057876394 737495636 /nfs/dbraw/zinc/49/56/36/737495636.db2.gz IODPAHAIDGONEW-GJZGRUSLSA-N 2 0 342.484 -0.396 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001057877159 737497224 /nfs/dbraw/zinc/49/72/24/737497224.db2.gz ZUHKMYCYYGUVHL-MRXNPFEDSA-N 2 0 342.484 -0.395 20 0 EBADRP C[N@H+](CC(=O)N(CCO)CCNC(=O)[C@@H]1CCC[NH+]1C)C1CCC1 ZINC001057903405 737521772 /nfs/dbraw/zinc/52/17/72/737521772.db2.gz IFJLVQCCMYMKET-HNNXBMFYSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001057975627 737573290 /nfs/dbraw/zinc/57/32/90/737573290.db2.gz ZHJUQDYAHLBJRG-ZIAGYGMSSA-N 2 0 328.457 -0.785 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)Cn1ccnc1 ZINC001057996758 737584503 /nfs/dbraw/zinc/58/45/03/737584503.db2.gz WFAQYXHXUNJYQG-UHFFFAOYSA-N 2 0 339.440 -0.448 20 0 EBADRP CC[C@H](C(=O)NCCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001058157540 737679740 /nfs/dbraw/zinc/67/97/40/737679740.db2.gz APVWRXSSWXFZJN-HUUCEWRRSA-N 2 0 342.484 -0.395 20 0 EBADRP O=C(C[NH+]1CCCC1)NCCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001058163426 737686984 /nfs/dbraw/zinc/68/69/84/737686984.db2.gz HUEJYJTWXITBAD-UHFFFAOYSA-N 2 0 338.452 -0.885 20 0 EBADRP CC[C@@H](C(=O)N(CCO)CCNC(=O)CCC[NH+](C)C)[NH+](C)C ZINC001058168730 737690671 /nfs/dbraw/zinc/69/06/71/737690671.db2.gz SFFVZNUGALDXPW-AWEZNQCLSA-N 2 0 330.473 -0.395 20 0 EBADRP CC[C@@H](C(=O)N(CCO)CCNC(=O)C[N@@H+]1CCC[C@@H]1C)[NH+](C)C ZINC001058168752 737690772 /nfs/dbraw/zinc/69/07/72/737690772.db2.gz TUXLWASJKMIOBM-GJZGRUSLSA-N 2 0 342.484 -0.252 20 0 EBADRP CCC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001058252650 737735429 /nfs/dbraw/zinc/73/54/29/737735429.db2.gz QTNHIACQCYDJMP-OAHLLOKOSA-N 2 0 342.484 -0.393 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001058253921 737736162 /nfs/dbraw/zinc/73/61/62/737736162.db2.gz NNSHRZXHUFTWGB-INIZCTEOSA-N 2 0 344.500 -0.149 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001058256568 737738900 /nfs/dbraw/zinc/73/89/00/737738900.db2.gz ANVOLPWSNLSCRM-OAHLLOKOSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)C1(C[NH+](C)C)CC1 ZINC001058601690 737916639 /nfs/dbraw/zinc/91/66/39/737916639.db2.gz MZDAGFQAWITZLY-UHFFFAOYSA-N 2 0 342.484 -0.393 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCCN(CCO)C(=O)CC[NH+](C)C)C1 ZINC001058710799 737961379 /nfs/dbraw/zinc/96/13/79/737961379.db2.gz PPOPNQSKGBRLAO-CQSZACIVSA-N 2 0 328.457 -0.783 20 0 EBADRP CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC001058816275 738003854 /nfs/dbraw/zinc/00/38/54/738003854.db2.gz QBYGDNSSFDWXMI-LSDHHAIUSA-N 2 0 342.484 -0.537 20 0 EBADRP CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001058816366 738004029 /nfs/dbraw/zinc/00/40/29/738004029.db2.gz SQARUPBYSWUJMZ-UHFFFAOYSA-N 2 0 342.484 -0.393 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001058845203 738025523 /nfs/dbraw/zinc/02/55/23/738025523.db2.gz HYIXCYRXRRYLKU-GJZGRUSLSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(CCO)CCNC(=O)CCC[NH+](C)C ZINC001058849541 738032759 /nfs/dbraw/zinc/03/27/59/738032759.db2.gz XGCSGWWCTURFMF-HUUCEWRRSA-N 2 0 342.484 -0.537 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC1(NC(=O)CC[NH+](C)C)CCC1 ZINC001063718920 739186127 /nfs/dbraw/zinc/18/61/27/739186127.db2.gz RXDFJNXLLBDSFH-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001064978563 739457561 /nfs/dbraw/zinc/45/75/61/739457561.db2.gz VIIFHQOHJSUMJZ-KGLIPLIRSA-N 2 0 326.441 -0.624 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065172258 739578570 /nfs/dbraw/zinc/57/85/70/739578570.db2.gz WCDCZEJQOFIDGC-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065172156 739578603 /nfs/dbraw/zinc/57/86/03/739578603.db2.gz TWIABADVYSWWEL-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001065177497 739581654 /nfs/dbraw/zinc/58/16/54/739581654.db2.gz GPJSYFXDYFLZET-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP CC[C@H](C(=O)NC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1)[NH+](C)C ZINC001065425751 739705589 /nfs/dbraw/zinc/70/55/89/739705589.db2.gz UVMICKVXFWCLRE-RBSFLKMASA-N 2 0 340.468 -0.236 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CN(C(=O)CC[NH+](C)C)CCO2)CC[N@@H+]1C ZINC001065574494 739771203 /nfs/dbraw/zinc/77/12/03/739771203.db2.gz IMJCDSNLEZQROV-QLFBSQMISA-N 2 0 340.468 -0.378 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCO[C@H](CNC(=O)CC[NH+](C)C)C2)C1 ZINC001065622988 739811153 /nfs/dbraw/zinc/81/11/53/739811153.db2.gz YHWGLXPMIOJXSU-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP CC[C@@H](C(=O)N1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2)[NH+](C)C ZINC001069012505 740522814 /nfs/dbraw/zinc/52/28/14/740522814.db2.gz FRBJLRVPOXWHED-KBPBESRZSA-N 2 0 340.468 -0.236 20 0 EBADRP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070015381 740658920 /nfs/dbraw/zinc/65/89/20/740658920.db2.gz VWRWQVCTYKNEMP-YUELXQCFSA-N 2 0 336.440 -0.658 20 0 EBADRP C[NH+]1CCC(CC(=O)N[C@@H]2CN(CCO)C[C@@H]2n2ccnn2)CC1 ZINC001070046990 740672392 /nfs/dbraw/zinc/67/23/92/740672392.db2.gz ZQDJXEZLLALEQG-CABCVRRESA-N 2 0 336.440 -0.656 20 0 EBADRP O=C(c1ccc2c[nH+]cn2c1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070234873 740764052 /nfs/dbraw/zinc/76/40/52/740764052.db2.gz LWQDUACVOGHPDL-CABCVRRESA-N 2 0 341.375 -0.427 20 0 EBADRP CC1CC[NH+](CC(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)CC1 ZINC001070301215 740781456 /nfs/dbraw/zinc/78/14/56/740781456.db2.gz QNRZJWATYBJNFT-CABCVRRESA-N 2 0 336.440 -0.656 20 0 EBADRP O=C(C[NH+]1CCCC1)N1C[C@@H]([NH2+]C[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001070328352 740788199 /nfs/dbraw/zinc/78/81/99/740788199.db2.gz YPFOXIRKYGCCQK-OAGGEKHMSA-N 2 0 348.451 -0.248 20 0 EBADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001070563672 740864207 /nfs/dbraw/zinc/86/42/07/740864207.db2.gz GBJUVBNFVAUQCH-IJEWVQPXSA-N 2 0 335.452 -0.219 20 0 EBADRP CN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001072740666 741468628 /nfs/dbraw/zinc/46/86/28/741468628.db2.gz FJYWUYJFEZCQPF-OAHLLOKOSA-N 2 0 334.464 -0.049 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC3(C2)CC[NH+]([C@H]2CCC(=O)NC2=O)C3)C1 ZINC001073127118 741565873 /nfs/dbraw/zinc/56/58/73/741565873.db2.gz AHAGHJDUMKKPHB-KBPBESRZSA-N 2 0 348.447 -0.332 20 0 EBADRP O=C(N1CC2(C1)CC[N@@H+]([C@H]1CCC(=O)NC1=O)C2)C12CC[NH+](CC1)C2 ZINC001073130048 741567462 /nfs/dbraw/zinc/56/74/62/741567462.db2.gz KALPKZUTHLWXQW-ZDUSSCGKSA-N 2 0 346.431 -0.578 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3C[NH+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001076462540 742476496 /nfs/dbraw/zinc/47/64/96/742476496.db2.gz YZYAMMYYOFKCRX-HRCADAONSA-N 2 0 349.479 -0.114 20 0 EBADRP O=C(N[C@@H]1C[N@@H+](CCCF)C[C@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077417930 742964727 /nfs/dbraw/zinc/96/47/27/742964727.db2.gz FBEXAFFJMXAWQC-NTTUHNMPSA-N 2 0 327.400 -0.630 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]2O)CC1 ZINC001077618453 743121331 /nfs/dbraw/zinc/12/13/31/743121331.db2.gz IXYROTZURGCZNA-FVQBIDKESA-N 2 0 325.453 -0.084 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](C[C@@H]3CCOC3)C[C@H]2O)C1 ZINC001077685154 743172180 /nfs/dbraw/zinc/17/21/80/743172180.db2.gz BDQTXXUWZUVBFZ-RRFJBIMHSA-N 2 0 325.453 -0.084 20 0 EBADRP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001078005832 743408774 /nfs/dbraw/zinc/40/87/74/743408774.db2.gz KLSHINXRJUABID-DJIMGWMZSA-N 2 0 349.479 -0.051 20 0 EBADRP C[NH+](C)C1(C(=O)N2CCCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)CCC1 ZINC001078411390 743636824 /nfs/dbraw/zinc/63/68/24/743636824.db2.gz LKRLUYAOZYUNTL-KGLIPLIRSA-N 2 0 338.452 -0.434 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[C@@H]([NH2+]CC(N)=O)C23CCC3)n1 ZINC001078629766 743712727 /nfs/dbraw/zinc/71/27/27/743712727.db2.gz OTGDHMPMNSOQCU-ZIAGYGMSSA-N 2 0 348.451 -0.439 20 0 EBADRP C[C@H]1C[C@@H](C[NH2+]Cc2nnnn2C)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000980768576 806012282 /nfs/dbraw/zinc/01/22/82/806012282.db2.gz VVFHJTKYRYEAHC-STQMWFEESA-N 2 0 333.440 -0.368 20 0 EBADRP O=C(CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)NCC[NH+]1CCCCC1 ZINC000909313843 803804086 /nfs/dbraw/zinc/80/40/86/803804086.db2.gz UUPOCWCGPCYHBZ-OAHLLOKOSA-N 2 0 338.452 -0.575 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]21 ZINC000977197496 804205715 /nfs/dbraw/zinc/20/57/15/804205715.db2.gz SUOFIQZFFARBST-LVNYTYFRSA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC000977201415 804211482 /nfs/dbraw/zinc/21/14/82/804211482.db2.gz HPFHQZAMGLJIHB-NPCUJANDSA-N 2 0 334.464 -0.147 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCN4CCNC4=O)C[C@H]32)CC[N@@H+]1C ZINC000978174518 804704937 /nfs/dbraw/zinc/70/49/37/804704937.db2.gz XZMPFCSLOBLNCF-QCODTGAPSA-N 2 0 349.479 -0.354 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC000978346009 804801898 /nfs/dbraw/zinc/80/18/98/804801898.db2.gz HPEPITUXVXCYJV-JONQDZQNSA-N 2 0 349.479 -0.210 20 0 EBADRP CN(C)C(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC000978393197 804815960 /nfs/dbraw/zinc/81/59/60/804815960.db2.gz BVINRLPGQVLJBG-QKDCVEJESA-N 2 0 334.464 -0.003 20 0 EBADRP CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC000978642190 804899497 /nfs/dbraw/zinc/89/94/97/804899497.db2.gz TYYGSJCBKYNSTA-APIJFGDWSA-N 2 0 338.452 -0.864 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCNC3=O)C2)n1 ZINC000983692201 807083339 /nfs/dbraw/zinc/08/33/39/807083339.db2.gz JBTCXBHNAALGPD-MGPQQGTHSA-N 2 0 348.451 -0.569 20 0 EBADRP Cn1ncc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)n1 ZINC000983717102 807087190 /nfs/dbraw/zinc/08/71/90/807087190.db2.gz VJABXUIALUSGFG-DARAHFNDSA-N 2 0 348.451 -0.337 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000984800547 807391052 /nfs/dbraw/zinc/39/10/52/807391052.db2.gz PZZUJFMKUGHSTA-AVGNSLFASA-N 2 0 336.440 -0.423 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnc4n3CCOC4)C2)C1 ZINC000985120591 807449406 /nfs/dbraw/zinc/44/94/06/807449406.db2.gz UYSSCVRXVBWPEX-IHRRRGAJSA-N 2 0 348.451 -0.256 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CCC([N@H+](C)CC(N)=O)CC2)cn1 ZINC000985694174 807562074 /nfs/dbraw/zinc/56/20/74/807562074.db2.gz ITGSKXANTQTNQV-UHFFFAOYSA-N 2 0 336.440 -0.534 20 0 EBADRP C[N@H+](C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1)[C@@H]1CCC(=O)NC1=O ZINC000985788955 807582349 /nfs/dbraw/zinc/58/23/49/807582349.db2.gz ALMXKUNOPVLSOB-GXTWGEPZSA-N 2 0 336.436 -0.334 20 0 EBADRP C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC000986547521 807731652 /nfs/dbraw/zinc/73/16/52/807731652.db2.gz FPYJENUFFMKZNG-DGCLKSJQSA-N 2 0 328.376 -0.055 20 0 EBADRP C[C@H]1[C@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987354848 807898496 /nfs/dbraw/zinc/89/84/96/807898496.db2.gz FVAOSSXHVWGXHP-UONOGXRCSA-N 2 0 348.447 -0.190 20 0 EBADRP C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987359328 807899659 /nfs/dbraw/zinc/89/96/59/807899659.db2.gz NJISCDSCYVFHMY-RYUDHWBXSA-N 2 0 334.424 -0.717 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987359048 807899987 /nfs/dbraw/zinc/89/99/87/807899987.db2.gz LXXLQIHAHSXJBN-KBPBESRZSA-N 2 0 335.452 -0.314 20 0 EBADRP C[C@H]1[C@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)C[NH+]1CCCC1 ZINC000987534142 807953461 /nfs/dbraw/zinc/95/34/61/807953461.db2.gz UIVNXCUYWRENMH-QWHCGFSZSA-N 2 0 337.424 -0.787 20 0 EBADRP C[C@H]1C[C@H]([NH2+]CC(=O)N2CCOCC2)CN1C(=O)C[NH+]1CCCC1 ZINC000989800077 808598340 /nfs/dbraw/zinc/59/83/40/808598340.db2.gz PQFAMHAQOWGLKN-GJZGRUSLSA-N 2 0 338.452 -0.480 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001214779862 810281147 /nfs/dbraw/zinc/28/11/47/810281147.db2.gz BFTALAIRLXXXNR-UPJWGTAASA-N 2 0 339.440 -0.508 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001214952544 810294993 /nfs/dbraw/zinc/29/49/93/810294993.db2.gz AIRXCKUYWQGPEI-JHJVBQTASA-N 2 0 334.486 -0.688 20 0 EBADRP COCCOC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215460971 810331097 /nfs/dbraw/zinc/33/10/97/810331097.db2.gz LMSYJQIQJAUFKD-RBSFLKMASA-N 2 0 331.457 -0.602 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]C[C@H](O)CN1CCCC1=O ZINC001215461226 810331177 /nfs/dbraw/zinc/33/11/77/810331177.db2.gz XFYYGBMYWXGVDO-QLFBSQMISA-N 2 0 340.468 -0.642 20 0 EBADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215778224 810344030 /nfs/dbraw/zinc/34/40/30/810344030.db2.gz DXDBJCOTNRUOOC-DGCLKSJQSA-N 2 0 339.440 -0.650 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC)C1 ZINC001216222341 810363661 /nfs/dbraw/zinc/36/36/61/810363661.db2.gz YXSWYBKZOMYXSG-HUUCEWRRSA-N 2 0 342.484 -0.083 20 0 EBADRP CC[C@H](C)NC(=O)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216400866 810370808 /nfs/dbraw/zinc/37/08/08/810370808.db2.gz BTSIOTBZNXFHHN-QLFBSQMISA-N 2 0 342.484 -0.084 20 0 EBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)C(=O)NC(N)=O ZINC001216409380 810373204 /nfs/dbraw/zinc/37/32/04/810373204.db2.gz GOHLRYWTQNYRDA-GRYCIOLGSA-N 2 0 337.424 -0.898 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001216459676 810375089 /nfs/dbraw/zinc/37/50/89/810375089.db2.gz ZHPDFHLOWPLMDY-JHJVBQTASA-N 2 0 341.456 -0.262 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCNC(C)=O)C1 ZINC001216510996 810375399 /nfs/dbraw/zinc/37/53/99/810375399.db2.gz IEWFZJLECMWUGH-GDBMZVCRSA-N 2 0 342.484 -0.083 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216757978 810385436 /nfs/dbraw/zinc/38/54/36/810385436.db2.gz UIRDTLUMGYLDRH-ZIAGYGMSSA-N 2 0 346.497 -0.542 20 0 EBADRP O=C(N[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001014452485 810433302 /nfs/dbraw/zinc/43/33/02/810433302.db2.gz CXIDVPZHYAFSRJ-GJZGRUSLSA-N 2 0 348.447 -0.332 20 0 EBADRP CN(C)C(=O)[C@@H]([NH3+])Cc1ccc(O)c(O[C@@H]2COC3(C[NH2+]C3)C2)c1 ZINC001218062692 810474761 /nfs/dbraw/zinc/47/47/61/810474761.db2.gz ORZXGIYPOWNQLS-STQMWFEESA-N 2 0 335.404 -0.140 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1nnc(Br)s1 ZINC001218511895 810496725 /nfs/dbraw/zinc/49/67/25/810496725.db2.gz ZKOSVSXABUPYQS-SSDOTTSWSA-N 2 0 349.258 -0.011 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218533768 810499880 /nfs/dbraw/zinc/49/98/80/810499880.db2.gz OTVPCHWSPDYNJM-WDEREUQCSA-N 3 0 338.481 -0.352 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1cncnc1Br ZINC001218569720 810503997 /nfs/dbraw/zinc/50/39/97/810503997.db2.gz AORIBMBKPRNGNN-VIFPVBQESA-N 2 0 343.229 -0.072 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1cnn(C2CCOCC2)c1 ZINC001218587720 810508990 /nfs/dbraw/zinc/50/89/90/810508990.db2.gz FTMYGFAHRFWLNU-HNNXBMFYSA-N 2 0 336.440 -0.077 20 0 EBADRP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@@H]21 ZINC001218600788 810509690 /nfs/dbraw/zinc/50/96/90/810509690.db2.gz NOYZUJRUAKXFBL-SOUVJXGZSA-N 2 0 348.451 -0.371 20 0 EBADRP Cc1nc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)cc(N2CCOCC2)n1 ZINC001218619408 810511557 /nfs/dbraw/zinc/51/15/57/810511557.db2.gz GXUVRHVNIBUYBR-OAHLLOKOSA-N 2 0 334.424 -0.113 20 0 EBADRP COC(=O)c1scnc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218623401 810512895 /nfs/dbraw/zinc/51/28/95/810512895.db2.gz KZOZPZUBIXMLOW-VIFPVBQESA-N 2 0 327.410 -0.381 20 0 EBADRP [NH3+]Cc1cncc(NC(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)c1 ZINC001218703224 810521611 /nfs/dbraw/zinc/52/16/11/810521611.db2.gz BYIAPVGOIZZROZ-CYBMUJFWSA-N 2 0 338.433 -0.107 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1ncccc1N1CCOCC1 ZINC001218711896 810522890 /nfs/dbraw/zinc/52/28/90/810522890.db2.gz GYKHGRIJYHFCAP-NSHDSACASA-N 2 0 325.438 -0.124 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ncccc1N1CCOCC1 ZINC001218713790 810523042 /nfs/dbraw/zinc/52/30/42/810523042.db2.gz WWDBJSMIBKMRIX-CQSZACIVSA-N 2 0 348.451 -0.393 20 0 EBADRP NC(=O)NCCC[C@H]([NH3+])C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218726138 810524305 /nfs/dbraw/zinc/52/43/05/810524305.db2.gz GSSZTXRUXAABLW-NEPJUHHUSA-N 2 0 336.396 -0.463 20 0 EBADRP CC(=O)N1CCC(n2nccc2NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001218734725 810525547 /nfs/dbraw/zinc/52/55/47/810525547.db2.gz KZVGPHAWDPDVRX-AWEZNQCLSA-N 2 0 346.435 -0.186 20 0 EBADRP CNS(=O)(=O)c1ccc(O)c(NC(=O)[C@H](CCCC[NH3+])[NH2+]C)c1 ZINC001218901700 810543360 /nfs/dbraw/zinc/54/33/60/810543360.db2.gz ONYJDTZTVLLKIL-NSHDSACASA-N 2 0 344.437 -0.044 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cc(S(N)(=O)=O)ccc1N ZINC001218915238 810544915 /nfs/dbraw/zinc/54/49/15/810544915.db2.gz LNYGPSDKYILWOC-NSHDSACASA-N 2 0 329.426 -0.428 20 0 EBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001218998520 810552669 /nfs/dbraw/zinc/55/26/69/810552669.db2.gz OKEXPIGARXHRSN-JKOKRWQUSA-N 2 0 347.419 -0.591 20 0 EBADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)Nc1cccc2c1C[NH2+]C2)C(N)=O ZINC001218993269 810553048 /nfs/dbraw/zinc/55/30/48/810553048.db2.gz LWOQQYJXGGIVGL-TVQRCGJNSA-N 2 0 333.392 -0.674 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+]([C@@H]3CCCNC3=O)C[C@@H]21 ZINC001219006463 810554690 /nfs/dbraw/zinc/55/46/90/810554690.db2.gz JTPLTTWIMKSEQW-QLFBSQMISA-N 2 0 338.452 -0.482 20 0 EBADRP [NH3+][C@@H]1CCCN(c2ccc(NC(=O)[C@@H]3COC4(C[NH2+]C4)CN3)cc2)C1 ZINC001219233410 810625509 /nfs/dbraw/zinc/62/55/09/810625509.db2.gz NXJCDTWMLGPXJN-CJNGLKHVSA-N 2 0 345.447 -0.117 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)C1 ZINC001015999925 810648746 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WRZGEURSUPMYSW-OSMZGAPFSA-N 2 0 330.388 -0.597 20 0 EBADRP COc1ccc(C(=O)CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cc1 ZINC001219559485 810750830 /nfs/dbraw/zinc/75/08/30/810750830.db2.gz AWNLPNCOKQVOIX-OAHLLOKOSA-N 2 0 334.420 -0.256 20 0 EBADRP Cn1ccnc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219565497 810752784 /nfs/dbraw/zinc/75/27/84/810752784.db2.gz JNVOZWUMLMQICD-STQMWFEESA-N 2 0 336.440 -0.516 20 0 EBADRP C[C@H]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C[NH2+]1 ZINC001219583571 810759815 /nfs/dbraw/zinc/75/98/15/810759815.db2.gz ZSYPJPYFBUREJO-AVGNSLFASA-N 2 0 329.466 -0.343 20 0 EBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001219635978 810781617 /nfs/dbraw/zinc/78/16/17/810781617.db2.gz UJBUCODZVUDEOC-BWCYYRKRSA-N 2 0 332.379 -0.088 20 0 EBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219721106 810807974 /nfs/dbraw/zinc/80/79/74/810807974.db2.gz ZSRZOJLFPAROMA-NWBUJAPZSA-N 2 0 346.497 -0.560 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20 0 EBADRP COC(=O)c1ccnc(CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001220038137 810955515 /nfs/dbraw/zinc/95/55/15/810955515.db2.gz RNUSJLAYTYHNSA-AWEZNQCLSA-N 2 0 335.408 -0.765 20 0 EBADRP COC(=O)c1ccnc(CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001220038138 810956419 /nfs/dbraw/zinc/95/64/19/810956419.db2.gz RNUSJLAYTYHNSA-CQSZACIVSA-N 2 0 335.408 -0.765 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCC(=O)NCC(=O)OCc1ccccc1 ZINC001220104975 810982908 /nfs/dbraw/zinc/98/29/08/810982908.db2.gz QQKQRWRYOXMIDL-ZDUSSCGKSA-N 2 0 336.392 -0.972 20 0 EBADRP Cn1cc2cccc(CNC(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)c2n1 ZINC001220143771 811000577 /nfs/dbraw/zinc/00/05/77/811000577.db2.gz UOGJUDUJGLWTCH-OAHLLOKOSA-N 2 0 330.436 -0.060 20 0 EBADRP [NH3+]CC1(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[NH2+]2)COC1 ZINC001220156645 811002601 /nfs/dbraw/zinc/00/26/01/811002601.db2.gz FCGKUFLMGQUTKO-GJZGRUSLSA-N 2 0 346.431 -0.690 20 0 EBADRP COC(=O)[C@]1(NC(=O)[C@H]2C[NH2+]C[C@H]2O)CC[N@H+](Cc2ccccc2)C1 ZINC001220228515 811026591 /nfs/dbraw/zinc/02/65/91/811026591.db2.gz OUBAWEUWTSYGPB-DAYGRLMNSA-N 2 0 347.415 -0.499 20 0 EBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220319685 811055123 /nfs/dbraw/zinc/05/51/23/811055123.db2.gz IJCFADVKIYGQCG-DZKIICNBSA-N 2 0 326.441 -0.353 20 0 EBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220319040 811055294 /nfs/dbraw/zinc/05/52/94/811055294.db2.gz CMEIGDPWVRFQKJ-XEZPLFJOSA-N 2 0 326.441 -0.497 20 0 EBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220320408 811055355 /nfs/dbraw/zinc/05/53/55/811055355.db2.gz NHFJVEOUUNSNJN-LMRQPLJMSA-N 2 0 326.441 -0.497 20 0 EBADRP Cn1cc(Br)c(CNC(=O)[C@@H]([NH3+])CSCC[NH3+])n1 ZINC001220335822 811059485 /nfs/dbraw/zinc/05/94/85/811059485.db2.gz VCXHZUHQDCYUHZ-QMMMGPOBSA-N 2 0 336.259 -0.182 20 0 EBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001220335686 811059577 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FVDXOHNLRDDHFR-MRXNPFEDSA-N 2 0 332.408 -0.560 20 0 EBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)O1 ZINC001220481687 811123273 /nfs/dbraw/zinc/12/32/73/811123273.db2.gz NKKFVWQPCQCLAO-FPXDANJGSA-N 2 0 327.425 -0.406 20 0 EBADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]([NH3+])Cc2cncn2C)O1 ZINC001220481712 811124197 /nfs/dbraw/zinc/12/41/97/811124197.db2.gz OOWGAUFKBREWIO-JLNYLFASSA-N 2 0 325.413 -0.869 20 0 EBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001220510754 811131415 /nfs/dbraw/zinc/13/14/15/811131415.db2.gz KPXPYGLQCCCCCJ-JQWIXIFHSA-N 2 0 328.457 -0.422 20 0 EBADRP COCCC[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220516850 811134133 /nfs/dbraw/zinc/13/41/33/811134133.db2.gz HWCHENSKGPYAMV-CABCVRRESA-N 2 0 339.440 -0.744 20 0 EBADRP CC(C)([NH3+])CN(C(=O)C[C@@H](O)C[NH3+])S(=O)(=O)c1ccccc1 ZINC001220535507 811143004 /nfs/dbraw/zinc/14/30/04/811143004.db2.gz DJEBTIDBGGPMKL-LLVKDONJSA-N 2 0 329.422 -0.349 20 0 EBADRP CC(C)([NH3+])CN(C(=O)[C@H]1C[NH2+]C[C@@H]1N)S(=O)(=O)c1ccccc1 ZINC001220535819 811143925 /nfs/dbraw/zinc/14/39/25/811143925.db2.gz MTQCPCNBVBUXQB-STQMWFEESA-N 2 0 340.449 -0.512 20 0 EBADRP NC(=O)c1ccccc1OCCNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220719369 811217494 /nfs/dbraw/zinc/21/74/94/811217494.db2.gz YRFNSKQCIXPBIJ-NSHDSACASA-N 2 0 326.422 -0.700 20 0 EBADRP [NH3+][C@H]1CCCCN(CC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)C1=O ZINC001220806090 811248113 /nfs/dbraw/zinc/24/81/13/811248113.db2.gz XSKPMMMZWRSSOP-GARJFASQSA-N 2 0 336.358 -0.017 20 0 EBADRP [NH3+][C@H]1CCCCN(CC(=O)N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)C1=O ZINC001220806092 811248508 /nfs/dbraw/zinc/24/85/08/811248508.db2.gz XSKPMMMZWRSSOP-VWYCJHECSA-N 2 0 336.358 -0.017 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@H]2Cc3cc(O)ccc3C[NH2+]2)C[NH2+]C1 ZINC001220827496 811256259 /nfs/dbraw/zinc/25/62/59/811256259.db2.gz PWPWSEWKTYCCJJ-CQSZACIVSA-N 2 0 331.372 -0.057 20 0 EBADRP CCOC(=O)C1(NC(=O)[C@@H]2CO[C@@]3(C2)CCC[NH2+]CC3)C[NH2+]C1 ZINC001220850973 811266133 /nfs/dbraw/zinc/26/61/33/811266133.db2.gz CBGGZVAWKUEYHQ-WFASDCNBSA-N 2 0 325.409 -0.444 20 0 EBADRP CC[C@H](COC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220865624 811272368 /nfs/dbraw/zinc/27/23/68/811272368.db2.gz FFOMQBKCWMAMDX-RDBSUJKOSA-N 2 0 328.457 -0.025 20 0 EBADRP [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001220870643 811276148 /nfs/dbraw/zinc/27/61/48/811276148.db2.gz NORMJRWPTZGPBO-VHSXEESVSA-N 2 0 329.198 -0.670 20 0 EBADRP [NH3+]CCN(CCNC(=O)[C@@H]1CC[C@H](C(F)(F)F)C[NH2+]1)N(O)N=O ZINC001220900335 811286783 /nfs/dbraw/zinc/28/67/83/811286783.db2.gz HIQKIPKQFBDWTE-IUCAKERBSA-N 2 0 342.322 -0.419 20 0 EBADRP O=C(CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)N1CC[NH+](C2CCCCC2)CC1 ZINC001220898440 811287416 /nfs/dbraw/zinc/28/74/16/811287416.db2.gz JYGVFBMXOHBKRK-GJZGRUSLSA-N 2 0 338.452 -0.698 20 0 EBADRP [NH3+][C@H]1CC[C@H](N(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)c2ccncn2)CC1 ZINC001220941461 811305066 /nfs/dbraw/zinc/30/50/66/811305066.db2.gz TZRHNGXUKHBGBB-MGPQQGTHSA-N 2 0 346.435 -0.590 20 0 EBADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)C[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001221006993 811340719 /nfs/dbraw/zinc/34/07/19/811340719.db2.gz QXANOVVTFPVAGE-KKUMJFAQSA-N 3 0 341.500 -0.062 20 0 EBADRP [NH3+]CCNC(=O)/C=C/C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221113778 811382888 /nfs/dbraw/zinc/38/28/88/811382888.db2.gz BBCOMTHDVZXRES-SNAWJCMRSA-N 2 0 331.420 -0.550 20 0 EBADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221116097 811383193 /nfs/dbraw/zinc/38/31/93/811383193.db2.gz LKGMFZUYAUWIJF-LSDHHAIUSA-N 2 0 346.431 -0.030 20 0 EBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221113779 811383658 /nfs/dbraw/zinc/38/36/58/811383658.db2.gz BBMWQJCZURYLOE-CYBMUJFWSA-N 2 0 348.451 -0.405 20 0 EBADRP COCCC1([NH3+])CCN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)CC1 ZINC001221133997 811386177 /nfs/dbraw/zinc/38/61/77/811386177.db2.gz GCZOKZVWVQRSNC-ZDUSSCGKSA-N 2 0 326.441 -0.317 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])C1CCC2(CC1)OCCO2 ZINC001221190138 811412484 /nfs/dbraw/zinc/41/24/84/811412484.db2.gz CKCVNLUJZXMRGO-STQMWFEESA-N 2 0 343.424 -0.356 20 0 EBADRP COC(=O)[C@](C)(NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C(F)(F)F ZINC001221221704 811419343 /nfs/dbraw/zinc/41/93/43/811419343.db2.gz VPALAYVPAXJOOT-CABZTGNLSA-N 2 0 340.346 -0.653 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1c2ccccc2NC1=O ZINC001221312101 811437639 /nfs/dbraw/zinc/43/76/39/811437639.db2.gz UMUUTSZWTSBZSS-UONOGXRCSA-N 2 0 331.420 -0.411 20 0 EBADRP COC(=O)c1ccc([C@H](CO)NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)cc1 ZINC001221365913 811446120 /nfs/dbraw/zinc/44/61/20/811446120.db2.gz LCNHRPBPSMVQND-KGLIPLIRSA-N 2 0 333.388 -0.568 20 0 EBADRP COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001221405714 811450701 /nfs/dbraw/zinc/45/07/01/811450701.db2.gz VRNWRDIXEZCDIF-JKSUJKDBSA-N 3 0 335.452 -0.438 20 0 EBADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001221408315 811452888 /nfs/dbraw/zinc/45/28/88/811452888.db2.gz IHXCJQCREAPIMD-QWHCGFSZSA-N 2 0 327.450 -0.733 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001221789434 811536428 /nfs/dbraw/zinc/53/64/28/811536428.db2.gz WUSHVHORQRZREJ-ZIAGYGMSSA-N 2 0 336.436 -0.380 20 0 EBADRP COCCOC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791275 811536512 /nfs/dbraw/zinc/53/65/12/811536512.db2.gz DWEIOUXKFVPWGS-BZUAXINKSA-N 2 0 343.468 -0.505 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[NH+](CCOCCO)C[C@H]32)C1 ZINC001221945747 811568068 /nfs/dbraw/zinc/56/80/68/811568068.db2.gz YBWMTAXHWOBIFT-BZUAXINKSA-N 2 0 325.453 -0.130 20 0 EBADRP O=C1CN(Cc2cccc(CN3CC[NH2+]CC3)c2)[C@@]2(CC[NH2+]C2)CN1 ZINC001222372950 811624985 /nfs/dbraw/zinc/62/49/85/811624985.db2.gz HTCFFDGMLAPXJH-LJQANCHMSA-N 2 0 343.475 -0.244 20 0 EBADRP CC[C@H](C(=O)NCC1CC[NH+](CC(=O)NC(N)=O)CC1)[NH+](C)C ZINC001223597194 811716057 /nfs/dbraw/zinc/71/60/57/811716057.db2.gz KNLIJJWBGPHDFA-GFCCVEGCSA-N 2 0 327.429 -0.650 20 0 EBADRP C[C@@H](COCC(=O)NCC1CC[NH+](CC(N)=O)CC1)[NH+]1CCCC1 ZINC001224583034 811767343 /nfs/dbraw/zinc/76/73/43/811767343.db2.gz IWIKIQXXJIBEAI-AWEZNQCLSA-N 2 0 340.468 -0.199 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001224911383 811784360 /nfs/dbraw/zinc/78/43/60/811784360.db2.gz NJLRJQRHHQXPTN-CQSZACIVSA-N 2 0 338.452 -0.038 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001225346760 811803374 /nfs/dbraw/zinc/80/33/74/811803374.db2.gz RFVANYFYLYLYMJ-JHJVBQTASA-N 2 0 339.440 -0.447 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001225346100 811803598 /nfs/dbraw/zinc/80/35/98/811803598.db2.gz IZOSGIKUGNHIGV-MCIONIFRSA-N 2 0 346.497 -0.353 20 0 EBADRP O=C(C[NH+]1CCCC1)NCC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001225442086 811810540 /nfs/dbraw/zinc/81/05/40/811810540.db2.gz AGVFQZYURFHYMJ-CQSZACIVSA-N 2 0 336.436 -0.284 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001225442484 811811024 /nfs/dbraw/zinc/81/10/24/811811024.db2.gz KXBAXLICFLDDLA-ZDUSSCGKSA-N 2 0 326.441 -0.732 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC001225582093 811818824 /nfs/dbraw/zinc/81/88/24/811818824.db2.gz CUXWWKMMHYJLDP-LBPRGKRZSA-N 2 0 341.456 -0.262 20 0 EBADRP CC(=O)NCCOCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001226553898 811870454 /nfs/dbraw/zinc/87/04/54/811870454.db2.gz FFJCWAJBCMZGQQ-INIZCTEOSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC)[NH+](C)C ZINC001227057720 811901694 /nfs/dbraw/zinc/90/16/94/811901694.db2.gz ZTSXYTIBCHSGQJ-JHJVBQTASA-N 2 0 341.456 -0.201 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C)C(=O)NC(N)=O ZINC001228355047 811976145 /nfs/dbraw/zinc/97/61/45/811976145.db2.gz IGVBBMSBVFWREB-QJPTWQEYSA-N 2 0 327.429 -0.462 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001229212656 812020520 /nfs/dbraw/zinc/02/05/20/812020520.db2.gz AEEZZVXFMXHNPB-YNEHKIRRSA-N 2 0 341.456 -0.071 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCNC1=O ZINC001229709253 812050742 /nfs/dbraw/zinc/05/07/42/812050742.db2.gz FTEAQEPBKATUPD-KFWWJZLASA-N 2 0 340.468 -0.140 20 0 EBADRP COCCOC[C@@H](O)C[NH+]1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001230367335 812109208 /nfs/dbraw/zinc/10/92/08/812109208.db2.gz VTKZWIQVONTYGP-INIZCTEOSA-N 2 0 345.484 -0.069 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC([C@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001230612476 812204284 /nfs/dbraw/zinc/20/42/84/812204284.db2.gz AZFAXGPETZECSM-OAHLLOKOSA-N 2 0 340.468 -0.247 20 0 EBADRP Brc1cnc(CN2CC[NH2+]CCNCC[NH2+]CC2)nc1 ZINC001235868869 812513863 /nfs/dbraw/zinc/51/38/63/812513863.db2.gz BFCUXLBIABGZHQ-UHFFFAOYSA-N 2 0 343.273 -0.177 20 0 EBADRP COC(=O)C[C@@H]1C[NH2+]CCN1Cc1cccc(C(=O)NCC[NH3+])c1 ZINC001235848465 812513910 /nfs/dbraw/zinc/51/39/10/812513910.db2.gz BWRLUXKXBQMGGM-OAHLLOKOSA-N 2 0 334.420 -0.288 20 0 EBADRP CC(=O)Nc1nc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cs1 ZINC001236312610 812517241 /nfs/dbraw/zinc/51/72/41/812517241.db2.gz VEBKNEOEUATJGI-UHFFFAOYSA-N 2 0 342.469 -0.283 20 0 EBADRP C(CN1CCOCC1)C[N@H+](CC1CC[NH2+]CC1)C[C@H]1CNCCO1 ZINC001236385408 812518227 /nfs/dbraw/zinc/51/82/27/812518227.db2.gz AJCKPEDBZGXEBE-GOSISDBHSA-N 2 0 340.512 -0.001 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(Cc1cnc3n1CC[NH2+]CC3)CC2 ZINC001237058378 812519498 /nfs/dbraw/zinc/51/94/98/812519498.db2.gz FJAACAFUBCBKSB-YOEHRIQHSA-N 2 0 333.436 -0.244 20 0 EBADRP COC(=O)C1(CNS(=O)(=O)CC2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001238107639 812524177 /nfs/dbraw/zinc/52/41/77/812524177.db2.gz GYLVWFWREGAWSD-UHFFFAOYSA-N 2 0 333.454 -0.552 20 0 EBADRP COC(=O)[C@@H](NS(=O)(=O)CC1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001238708391 812530971 /nfs/dbraw/zinc/53/09/71/812530971.db2.gz SPRKRNCXCJSKSE-ZDUSSCGKSA-N 2 0 333.454 -0.553 20 0 EBADRP CCOC(=O)[C@@H]1CC2(CN1S(=O)(=O)[C@@H]1CC[NH2+]C1)CC[NH2+]CC2 ZINC001239000820 812538903 /nfs/dbraw/zinc/53/89/03/812538903.db2.gz OQFVZXXZWLFFQG-OLZOCXBDSA-N 2 0 345.465 -0.315 20 0 EBADRP Cc1ccc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])cn1 ZINC001239130832 812546130 /nfs/dbraw/zinc/54/61/30/812546130.db2.gz GXDVSUKCAJUYTB-UHFFFAOYSA-N 2 0 343.453 -0.805 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(S(=O)(=O)CC1CC[NH2+]CC1)CC2 ZINC001239173558 812549302 /nfs/dbraw/zinc/54/93/02/812549302.db2.gz SMMRHERLQWYSID-HIFRSBDPSA-N 2 0 345.465 -0.457 20 0 EBADRP [NH3+]C1CCN([C@@H]2CCN(S(=O)(=O)CC3CC[NH2+]CC3)C2)CC1 ZINC001239163143 812549509 /nfs/dbraw/zinc/54/95/09/812549509.db2.gz QCNDHSSYUNHJBX-OAHLLOKOSA-N 2 0 330.498 -0.187 20 0 EBADRP [NH3+]CCN(CC[NH3+])C(=O)NCc1cc(=O)oc2cc3c(cc12)OCO3 ZINC001239288025 812551186 /nfs/dbraw/zinc/55/11/86/812551186.db2.gz KKBGPBFIRBXMQM-UHFFFAOYSA-N 2 0 348.359 -0.049 20 0 EBADRP O[C@@H](C[NH2+][C@H]1CCCC[C@@]12CNCCO2)CC1(O)CC[NH2+]CC1 ZINC001245981295 812557056 /nfs/dbraw/zinc/55/70/56/812557056.db2.gz CNCUNLVKDDMIEZ-HLLBOEOZSA-N 2 0 327.469 -0.257 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001245977939 812557149 /nfs/dbraw/zinc/55/71/49/812557149.db2.gz YGUMQQFFSHTELP-XUWVNRHRSA-N 3 0 347.381 -0.152 20 0 EBADRP O[C@@H](CNC[C@]1(C(F)(F)F)CC[NH2+]C1)CC1(O)CC[NH2+]CC1 ZINC001245981168 812557377 /nfs/dbraw/zinc/55/73/77/812557377.db2.gz GYTNQMPEONQIRP-NEPJUHHUSA-N 2 0 325.375 -0.017 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001245987281 812558500 /nfs/dbraw/zinc/55/85/00/812558500.db2.gz YJRKVDQXFIOHBM-YIDVYQOGSA-N 2 0 327.375 -0.228 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001246021808 812559785 /nfs/dbraw/zinc/55/97/85/812559785.db2.gz HCGYBQBZAGARDK-FCEWJHQRSA-N 2 0 344.459 -0.671 20 0 EBADRP [NH3+]CCCC[C@H]([NH2+]C[C@@H](O)CN1CCOCC1)C(=O)N1CCCC1 ZINC001246022369 812560081 /nfs/dbraw/zinc/56/00/81/812560081.db2.gz XSJMWRYBJRUZET-CVEARBPZSA-N 2 0 342.484 -0.611 20 0 EBADRP [NH3+]CC1CN([C@H]2CCC[N@H+](C[C@@H](O)CC3(O)CC[NH2+]CC3)C2)C1 ZINC001246047275 812560708 /nfs/dbraw/zinc/56/07/08/812560708.db2.gz CPZKUKANNVKGKT-HOTGVXAUSA-N 3 0 326.485 -0.793 20 0 EBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001246052255 812561031 /nfs/dbraw/zinc/56/10/31/812561031.db2.gz CIMANTGZFDXOBI-CBBWQLFWSA-N 2 0 343.374 -0.230 20 0 EBADRP O[C@@]1(C[N@H+](CCN2CCOCC2)CC2CC[NH2+]CC2)CC[NH2+]C1 ZINC001246064163 812562317 /nfs/dbraw/zinc/56/23/17/812562317.db2.gz QPPRBFIBQIJSEW-KRWDZBQOSA-N 3 0 326.485 -0.655 20 0 EBADRP O[C@]1(C[N@H+](CCCN2CCOCC2)CC2CC[NH2+]CC2)CC[NH2+]C1 ZINC001246053183 812562368 /nfs/dbraw/zinc/56/23/68/812562368.db2.gz QBLINPFODUVMRK-GOSISDBHSA-N 3 0 340.512 -0.265 20 0 EBADRP O=C([C@@H]1C[C@H]([NH2+]C[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)CN1)N1CCSC1 ZINC001246128765 812564840 /nfs/dbraw/zinc/56/48/40/812564840.db2.gz BTUOUDXVDUMPDO-XHJNMGKDSA-N 2 0 326.466 -0.926 20 0 EBADRP O=C([C@@H]1C[C@@H](N[C@@H]2COCCC23C[NH2+]C3)C[NH2+]1)N1CCSC1 ZINC001246140239 812565699 /nfs/dbraw/zinc/56/56/99/812565699.db2.gz ZUMZGZLYRFDKFP-FRRDWIJNSA-N 2 0 326.466 -0.782 20 0 EBADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CN1 ZINC001246144539 812565835 /nfs/dbraw/zinc/56/58/35/812565835.db2.gz MYZZPKHMWCHNDB-AESZEHBQSA-N 2 0 341.452 -0.345 20 0 EBADRP O=C([C@@H]1C[C@H]([NH2+]C[C@@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CN1)N1CCSC1 ZINC001246145381 812566138 /nfs/dbraw/zinc/56/61/38/812566138.db2.gz WGOIUPCIIBCATO-YTFOTSKYSA-N 2 0 340.493 -0.536 20 0 EBADRP CC1(C)O[C@@H]2[C@@H](OCCO)C[C@@H]([NH2+][C@H]3CCNC4(C[NH2+]C4)C3)[C@@H]2O1 ZINC001246207860 812568225 /nfs/dbraw/zinc/56/82/25/812568225.db2.gz GBUVKOXXWIKYOE-AIEDFZFUSA-N 2 0 341.452 -0.660 20 0 EBADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCCOCCOCCOCCC[NH3+])CN1 ZINC001246200454 812568477 /nfs/dbraw/zinc/56/84/77/812568477.db2.gz ARAIHVBGKZEOTO-GJZGRUSLSA-N 2 0 347.456 -0.732 20 0 EBADRP COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+]CCCNCCC[NH3+] ZINC001246453411 812572980 /nfs/dbraw/zinc/57/29/80/812572980.db2.gz NRWWKTXIRLACCA-ZDUSSCGKSA-N 2 0 337.486 -0.339 20 0 EBADRP O=C([C@@H]1C[C@H](N2CCO[C@]3(CCC[NH2+]C3)C2)C[NH2+]1)N1CCSC1 ZINC001246619037 812577050 /nfs/dbraw/zinc/57/70/50/812577050.db2.gz KORQFYUCQWWYKS-DZKIICNBSA-N 2 0 340.493 -0.296 20 0 EBADRP c1cnn(Cc2nnc3n2CC[N@H+]([C@H]2CCNC4(C[NH2+]C4)C2)CC3)c1 ZINC001246778223 812587705 /nfs/dbraw/zinc/58/77/05/812587705.db2.gz PIXVEAMHVNEXTF-AWEZNQCLSA-N 2 0 342.451 -0.525 20 0 EBADRP CCOC(=O)N1CCC(N(CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001246925335 812592755 /nfs/dbraw/zinc/59/27/55/812592755.db2.gz MMJUSLKTEXNRRS-UHFFFAOYSA-N 3 0 343.472 -0.277 20 0 EBADRP COCCN([C@@H]1CC[NH2+]C1)[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246929423 812593139 /nfs/dbraw/zinc/59/31/39/812593139.db2.gz OLSQCWGPCNGXJX-RDBSUJKOSA-N 2 0 328.482 -0.440 20 0 EBADRP O=C([C@@H]1C[C@H](N2CC[C@@]3(C2)C[NH2+]CCO3)C[NH2+]1)N1CCSC1 ZINC001246985999 812594439 /nfs/dbraw/zinc/59/44/39/812594439.db2.gz JEKWKJILMUUAGC-YDHLFZDLSA-N 2 0 326.466 -0.686 20 0 EBADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@H]1CCC[C@]12CC[NH2+]C2)O3 ZINC001247012945 812595808 /nfs/dbraw/zinc/59/58/08/812595808.db2.gz VJJFWGFQONCRJJ-FQKPHLNHSA-N 2 0 327.450 -0.337 20 0 EBADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1C1CC2(C1)CCC[NH2+]C2)O3 ZINC001247010077 812596289 /nfs/dbraw/zinc/59/62/89/812596289.db2.gz MRGKZYBTDNRIJP-NSMDVSGXSA-N 2 0 327.450 -0.337 20 0 EBADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H](O)CN1CCOCC1 ZINC001251018214 812615700 /nfs/dbraw/zinc/61/57/00/812615700.db2.gz WXRDJKBPLUUNKO-IXDOHACOSA-N 2 0 326.485 -0.610 20 0 EBADRP COC[C@@H](O)C[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001252817926 812668073 /nfs/dbraw/zinc/66/80/73/812668073.db2.gz LEHKIVMNWAECDT-HNNXBMFYSA-N 2 0 342.484 -0.836 20 0 EBADRP Cc1cn(CC(=O)NCC[NH2+][C@@H]2CCC[N@@H+](C)CC2)c(=O)[nH]c1=O ZINC001254506954 812706003 /nfs/dbraw/zinc/70/60/03/812706003.db2.gz DIKJQRVVNISEKL-CYBMUJFWSA-N 2 0 337.424 -0.553 20 0 EBADRP COC[C@@]1(C)CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001261320815 812891271 /nfs/dbraw/zinc/89/12/71/812891271.db2.gz MHPNBZCTRBBWTQ-KRWDZBQOSA-N 2 0 342.484 -0.177 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC001261436601 812905719 /nfs/dbraw/zinc/90/57/19/812905719.db2.gz GJLXDGRNKPQBOD-MRXNPFEDSA-N 3 0 327.517 -0.790 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC001261454744 812909561 /nfs/dbraw/zinc/90/95/61/812909561.db2.gz QDERWUDMTDYSPO-OAHLLOKOSA-N 2 0 339.484 -0.612 20 0 EBADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001261636118 812957808 /nfs/dbraw/zinc/95/78/08/812957808.db2.gz ZHURMJIXFSSICA-SNPRPXQTSA-N 2 0 336.436 -0.824 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC001261644907 812959211 /nfs/dbraw/zinc/95/92/11/812959211.db2.gz QIYUYRVCLXRDPC-HNNXBMFYSA-N 2 0 340.468 -0.138 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001261820211 812992266 /nfs/dbraw/zinc/99/22/66/812992266.db2.gz TXJYBLYUAIWMLD-QWHCGFSZSA-N 2 0 326.441 -0.591 20 0 EBADRP C[NH+]1CCC(n2cc(NC(=O)C(=O)N[C@@]3(C)CC[NH2+]C3)cn2)CC1 ZINC001261875052 813003392 /nfs/dbraw/zinc/00/33/92/813003392.db2.gz SRQGJZUQUPBKRV-INIZCTEOSA-N 2 0 334.424 -0.044 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001262033866 813029510 /nfs/dbraw/zinc/02/95/10/813029510.db2.gz LAYMUETWAQDODB-BBRMVZONSA-N 2 0 348.447 -0.277 20 0 EBADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC001262063766 813030223 /nfs/dbraw/zinc/03/02/23/813030223.db2.gz IUZPQLSCEWWAEY-UONOGXRCSA-N 2 0 340.468 -0.060 20 0 EBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001262075032 813034608 /nfs/dbraw/zinc/03/46/08/813034608.db2.gz ILMMASRNFKGWIL-CABCVRRESA-N 2 0 339.484 -0.532 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081503641 813088033 /nfs/dbraw/zinc/08/80/33/813088033.db2.gz QRDGBMKMHBHBLC-CABCVRRESA-N 2 0 338.452 -0.887 20 0 EBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001262542106 813091246 /nfs/dbraw/zinc/09/12/46/813091246.db2.gz QGGWSOPLTDJXRI-IOASZLSFSA-N 2 0 326.441 -0.712 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@H]1C[NH3+] ZINC001262543826 813091716 /nfs/dbraw/zinc/09/17/16/813091716.db2.gz MFTBVMAKZQMEOP-HUUCEWRRSA-N 2 0 339.484 -0.817 20 0 EBADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001262569308 813096682 /nfs/dbraw/zinc/09/66/82/813096682.db2.gz VESYXHBREIIUNA-DLBZAZTESA-N 3 0 327.517 -0.790 20 0 EBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCCC[NH+]1CCC(C(=O)OC)CC1 ZINC001263113217 813107961 /nfs/dbraw/zinc/10/79/61/813107961.db2.gz BUYJHWJSTYALER-TZMCWYRMSA-N 2 0 329.441 -0.406 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081553708 813167931 /nfs/dbraw/zinc/16/79/31/813167931.db2.gz MIWJKVAFMNFKHR-KBPBESRZSA-N 2 0 328.457 -0.786 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001081554075 813169803 /nfs/dbraw/zinc/16/98/03/813169803.db2.gz REAGWNVXNKTRFA-LSDHHAIUSA-N 2 0 342.484 -0.396 20 0 EBADRP CC(C)[NH+](C)CC(=O)N1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](O)C1 ZINC001081554606 813170966 /nfs/dbraw/zinc/17/09/66/813170966.db2.gz XIZUQYZLGHAPPZ-HUUCEWRRSA-N 2 0 342.484 -0.398 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001081556367 813174647 /nfs/dbraw/zinc/17/46/47/813174647.db2.gz NLCRDBMSWFIBGT-ZIAGYGMSSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081571203 813207142 /nfs/dbraw/zinc/20/71/42/813207142.db2.gz GIXRPYHFUUQIFD-KBPBESRZSA-N 2 0 342.484 -0.396 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)CC(=O)NC(N)=O ZINC001265073047 813235961 /nfs/dbraw/zinc/23/59/61/813235961.db2.gz OAHFTQMSFGRSAY-GFCCVEGCSA-N 2 0 327.429 -0.506 20 0 EBADRP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)[NH+](C)C ZINC001265494952 813332137 /nfs/dbraw/zinc/33/21/37/813332137.db2.gz XBXIXFURPORPEN-XJKCOSOUSA-N 2 0 338.452 -0.042 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001265494856 813332449 /nfs/dbraw/zinc/33/24/49/813332449.db2.gz VNJZUKAFNQCDDU-IHRRRGAJSA-N 2 0 331.482 0.000 20 0 EBADRP CCC[NH+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001081634431 813335685 /nfs/dbraw/zinc/33/56/85/813335685.db2.gz HPBKRKMUVOBYQK-CABCVRRESA-N 2 0 342.484 -0.395 20 0 EBADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081635156 813340642 /nfs/dbraw/zinc/34/06/42/813340642.db2.gz QIKBAVUJUGLTNC-GJZGRUSLSA-N 2 0 342.484 -0.395 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](C[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001265635298 813352440 /nfs/dbraw/zinc/35/24/40/813352440.db2.gz ULNTUGOGZBQHNI-KGLIPLIRSA-N 2 0 331.482 -0.189 20 0 EBADRP C[N@H+](CCCNC(=O)C12CCC[NH+](CCC1)C2)CC(=O)NC(N)=O ZINC001265872279 813394289 /nfs/dbraw/zinc/39/42/89/813394289.db2.gz UAAVDGXLBROLSF-UHFFFAOYSA-N 2 0 339.440 -0.505 20 0 EBADRP C[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)CCN1C(=O)CNC1=O ZINC001265954978 813425634 /nfs/dbraw/zinc/42/56/34/813425634.db2.gz ZEYGTAMKFOCFCZ-ZDUSSCGKSA-N 2 0 339.440 -0.682 20 0 EBADRP CC[N@H+](CCCNC(=O)C[NH+]1CCCC1)[C@@H](C)C(=O)NC(=O)NC ZINC001266108806 813458996 /nfs/dbraw/zinc/45/89/96/813458996.db2.gz GWTBTWSEGAAXND-ZDUSSCGKSA-N 2 0 341.456 -0.246 20 0 EBADRP C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCN1C(=O)CCC1=O ZINC001266182304 813473836 /nfs/dbraw/zinc/47/38/36/813473836.db2.gz FJINJNRGLPEPCT-CYBMUJFWSA-N 2 0 336.436 -0.284 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC001266236977 813485320 /nfs/dbraw/zinc/48/53/20/813485320.db2.gz PCXKOMZJMCYTOL-CYBMUJFWSA-N 2 0 339.440 -0.539 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001081731935 813485467 /nfs/dbraw/zinc/48/54/67/813485467.db2.gz AKQYGRFVZKXDEP-ZIAGYGMSSA-N 2 0 328.457 -0.785 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH+]2CCN(CCn3cncn3)CC2)C1 ZINC001266277912 813508008 /nfs/dbraw/zinc/50/80/08/813508008.db2.gz WKQPTOZGWFKKHH-MRXNPFEDSA-N 2 0 349.483 -0.646 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001081773437 813537401 /nfs/dbraw/zinc/53/74/01/813537401.db2.gz BEPAJEMXCZOQGQ-HUUCEWRRSA-N 2 0 342.484 -0.395 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001081774393 813542100 /nfs/dbraw/zinc/54/21/00/813542100.db2.gz OJKHMELJFAVUEM-HUUCEWRRSA-N 2 0 342.484 -0.395 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@H]([NH2+]CCNS(C)(=O)=O)C2CC2)CC[N@@H+]1C ZINC001266409956 813560743 /nfs/dbraw/zinc/56/07/43/813560743.db2.gz VCNQWZFFMYXYHO-BNOWGMLFSA-N 2 0 346.497 -0.640 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001266598126 813618037 /nfs/dbraw/zinc/61/80/37/813618037.db2.gz MOLLYOZVVVCJLV-JOCQHMNTSA-N 2 0 346.497 -0.353 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001266639868 813630318 /nfs/dbraw/zinc/63/03/18/813630318.db2.gz JTVWXKIXZPRKBD-IHRRRGAJSA-N 2 0 346.497 -0.353 20 0 EBADRP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001266710770 813647963 /nfs/dbraw/zinc/64/79/63/813647963.db2.gz BSEIYJYNNJUKRT-FRRDWIJNSA-N 2 0 334.486 -0.641 20 0 EBADRP C[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001267003025 813730062 /nfs/dbraw/zinc/73/00/62/813730062.db2.gz YMBIKJGHQUNSBN-UONOGXRCSA-N 2 0 328.457 -0.737 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCNS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001267009626 813732822 /nfs/dbraw/zinc/73/28/22/813732822.db2.gz NPRYXMDFARKSDS-MELADBBJSA-N 2 0 346.497 -0.544 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](C[NH2+]CCN3CCNC3=O)C2)C1 ZINC001267064791 813750477 /nfs/dbraw/zinc/75/04/77/813750477.db2.gz MMCGQZXHELFPMK-LSDHHAIUSA-N 2 0 337.468 -0.209 20 0 EBADRP CS(=O)(=O)NCC[NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267065679 813750590 /nfs/dbraw/zinc/75/05/90/813750590.db2.gz XDNXFWHQVDEZOW-ZDUSSCGKSA-N 2 0 344.481 -0.931 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](C[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001267064504 813750648 /nfs/dbraw/zinc/75/06/48/813750648.db2.gz IQWQEXGLOACLDG-UONOGXRCSA-N 2 0 331.482 -0.189 20 0 EBADRP CN(CC[NH2+]CCN1CCNC1=O)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001267386580 813870491 /nfs/dbraw/zinc/87/04/91/813870491.db2.gz MXGWPRXITHOPOD-CQSZACIVSA-N 2 0 325.457 -0.066 20 0 EBADRP CN(CC[NH2+]C[C@H]1CCS(=O)(=O)C1)C(=O)C1(C[NH+](C)C)CC1 ZINC001267420082 813886204 /nfs/dbraw/zinc/88/62/04/813886204.db2.gz UULXTSQDHYQXLO-CYBMUJFWSA-N 2 0 331.482 -0.189 20 0 EBADRP CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328593 813899554 /nfs/dbraw/zinc/89/95/54/813899554.db2.gz BAKMQJIFJJQJEX-HZPDHXFCSA-N 2 0 347.463 -0.126 20 0 EBADRP CN(CC[NH2+]CC(=O)NC[C@@H]1CCCO1)C(=O)C12CC[NH+](CC1)C2 ZINC001267456891 813902552 /nfs/dbraw/zinc/90/25/52/813902552.db2.gz MOHZITWABSULLZ-AWEZNQCLSA-N 2 0 338.452 -0.575 20 0 EBADRP CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)CCC[NH+]1CCCCC1 ZINC001267470680 813907824 /nfs/dbraw/zinc/90/78/24/813907824.db2.gz LUHGTRXMVXYYLW-UHFFFAOYSA-N 2 0 327.429 -0.505 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001267592321 813944640 /nfs/dbraw/zinc/94/46/40/813944640.db2.gz REIJJGQGYALAAE-ZIAGYGMSSA-N 2 0 338.452 -0.086 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC001267592315 813945547 /nfs/dbraw/zinc/94/55/47/813945547.db2.gz REIJJGQGYALAAE-KBPBESRZSA-N 2 0 338.452 -0.086 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082559555 813967014 /nfs/dbraw/zinc/96/70/14/813967014.db2.gz JBGZGVZDNCGAFA-YUELXQCFSA-N 2 0 337.468 -0.212 20 0 EBADRP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCN1C(=O)CCC1=O ZINC001267820204 814048880 /nfs/dbraw/zinc/04/88/80/814048880.db2.gz OMQMIFYOHGYHDW-KBPBESRZSA-N 2 0 338.452 -0.038 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+][C@H]2CCC(=O)NC2=O)CCCC1 ZINC001268037912 814108407 /nfs/dbraw/zinc/10/84/07/814108407.db2.gz MWKXWMCGOWTPNT-QWHCGFSZSA-N 2 0 336.436 -0.096 20 0 EBADRP Cc1noc(CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001268318890 814195849 /nfs/dbraw/zinc/19/58/49/814195849.db2.gz CTHJHVGKANPGSJ-KGLIPLIRSA-N 2 0 339.440 -0.138 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001268371361 814224565 /nfs/dbraw/zinc/22/45/65/814224565.db2.gz QOBMRHJJQSZWGX-OLZOCXBDSA-N 2 0 338.456 -0.033 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C\C[NH2+][C@H]1CCC(=O)NC1=O ZINC001268551775 814288656 /nfs/dbraw/zinc/28/86/56/814288656.db2.gz FKMJHCOXICSSBI-FGXVQYDJSA-N 2 0 336.436 -0.072 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCN1CCCS1(=O)=O ZINC001268576391 814301407 /nfs/dbraw/zinc/30/14/07/814301407.db2.gz VQXYDTZZYPYPBN-BAABZTOOSA-N 2 0 344.481 -0.622 20 0 EBADRP C[C@H]([NH2+]C/C=C\CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001268614249 814319066 /nfs/dbraw/zinc/31/90/66/814319066.db2.gz UWAOABXGEQTQLD-WGPFEIJOSA-N 2 0 325.413 -0.826 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001268625899 814324860 /nfs/dbraw/zinc/32/48/60/814324860.db2.gz VPGLXYXMOINAJL-XQJDBVBESA-N 2 0 337.424 -0.858 20 0 EBADRP C[C@@H](C[N@H+](C)CCN1C(=O)CNC1=O)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001268731806 814368089 /nfs/dbraw/zinc/36/80/89/814368089.db2.gz QHZDCVDFGUWHSG-YNEHKIRRSA-N 2 0 339.440 -0.685 20 0 EBADRP CN(CCC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)CCc1cncn1C ZINC001268934959 814448206 /nfs/dbraw/zinc/44/82/06/814448206.db2.gz SROKUWXFJCCKSL-UHFFFAOYSA-N 2 0 335.412 -0.587 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCN2C(=O)CNC2=O)C1 ZINC001269083717 814522671 /nfs/dbraw/zinc/52/26/71/814522671.db2.gz LIVZITRTWQZTRA-ZDUSSCGKSA-N 2 0 339.440 -0.539 20 0 EBADRP CC[N@H+](C)CC(=O)N1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001269095921 814531940 /nfs/dbraw/zinc/53/19/40/814531940.db2.gz XCMXHWDAOVZYNY-INIZCTEOSA-N 2 0 326.441 -0.670 20 0 EBADRP C[NH+](C)CCN1C[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)OCC1=O ZINC001269247650 814592988 /nfs/dbraw/zinc/59/29/88/814592988.db2.gz ICIBAGHSWIQGPB-YOEHRIQHSA-N 2 0 338.452 -0.670 20 0 EBADRP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@]2(F)C1=O ZINC001269249329 814595882 /nfs/dbraw/zinc/59/58/82/814595882.db2.gz WDRXIJWPCLXGHV-APHBMKBZSA-N 2 0 344.406 -0.399 20 0 EBADRP O=C(N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654254 814665557 /nfs/dbraw/zinc/66/55/57/814665557.db2.gz FBEXAFFJMXAWQC-NHGZVPIDSA-N 2 0 327.400 -0.630 20 0 EBADRP Cn1[nH]c(C[NH2+]CC[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)nc1=O ZINC001269765833 815595928 /nfs/dbraw/zinc/59/59/28/815595928.db2.gz LTDAVTGUNYLEGC-CYBMUJFWSA-N 2 0 338.456 -0.222 20 0 EBADRP C[C@@H](C(=O)N1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1)[NH+](C)C ZINC001269796838 815608524 /nfs/dbraw/zinc/60/85/24/815608524.db2.gz KSOUHYODRBFTDQ-WMLDXEAASA-N 2 0 340.468 -0.424 20 0 EBADRP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001083851189 815649232 /nfs/dbraw/zinc/64/92/32/815649232.db2.gz ROKKAVXRRLEPOS-CFVMTHIKSA-N 2 0 339.440 -0.746 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCN1C(=O)CNC1=O)[NH+](C)C ZINC001270165309 815706143 /nfs/dbraw/zinc/70/61/43/815706143.db2.gz KUORALCDBWUXIG-STQMWFEESA-N 2 0 339.440 -0.541 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@@H]2O)C1 ZINC001084054033 815799000 /nfs/dbraw/zinc/79/90/00/815799000.db2.gz UCPGIOQEUGHBPO-OAGGEKHMSA-N 2 0 325.453 -0.084 20 0 EBADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C[NH2+]CCN1CCNC1=O ZINC001270517610 815804402 /nfs/dbraw/zinc/80/44/02/815804402.db2.gz RTYIVROAUYGDLT-ZIAGYGMSSA-N 2 0 325.457 -0.305 20 0 EBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CCCN1C(=O)CNC1=O ZINC001270593724 815821441 /nfs/dbraw/zinc/82/14/41/815821441.db2.gz ASFNEMNOEJYPSZ-QWHCGFSZSA-N 2 0 339.440 -0.778 20 0 EBADRP CN1CCN(CC(=O)N2CC3(C2)CC[N@H+](CCn2ccnc2)C3)CC1 ZINC001270702967 815864865 /nfs/dbraw/zinc/86/48/65/815864865.db2.gz ZDGFOHMUHLUKGX-UHFFFAOYSA-N 2 0 346.479 -0.335 20 0 EBADRP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1C[C@H]2CC[N@@H+](CCCO)C[C@H]21 ZINC001084532953 815932988 /nfs/dbraw/zinc/93/29/88/815932988.db2.gz XQLUOPQEMVNLEE-DSZOFWSKSA-N 2 0 335.448 -0.235 20 0 EBADRP C[C@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001270985765 815944389 /nfs/dbraw/zinc/94/43/89/815944389.db2.gz IFMCGASDVTWSGM-CYBMUJFWSA-N 2 0 325.457 -0.068 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001085094260 816020622 /nfs/dbraw/zinc/02/06/22/816020622.db2.gz LUNQUGMQIIGHET-XHSDSOJGSA-N 2 0 325.453 -0.130 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCN4CCNC4=O)[C@H]3C2)C1 ZINC001085093246 816021879 /nfs/dbraw/zinc/02/18/79/816021879.db2.gz OQRDWPGMFZUQKF-OAGGEKHMSA-N 2 0 349.479 -0.114 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001086047472 816213789 /nfs/dbraw/zinc/21/37/89/816213789.db2.gz RLJMVKMMIMNIIE-BYNSBNAKSA-N 2 0 343.493 0.000 20 0 EBADRP C[NH+]1CCC(O)(C(=O)N2CC3(C2)C[NH+](CCn2ccnc2)C3)CC1 ZINC001271802415 816216444 /nfs/dbraw/zinc/21/64/44/816216444.db2.gz WYAKILGXIXGMRG-UHFFFAOYSA-N 2 0 333.436 -0.516 20 0 EBADRP Cn1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)nn1 ZINC001086091923 816228152 /nfs/dbraw/zinc/22/81/52/816228152.db2.gz SLKXMMPXSSKGIK-OCVGTWLNSA-N 2 0 348.451 -0.337 20 0 EBADRP O=C(NC[C@@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001086153213 816249677 /nfs/dbraw/zinc/24/96/77/816249677.db2.gz YTCDLSGPKLKELD-LMRKWSMVSA-N 2 0 348.447 -0.778 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001086177473 816260778 /nfs/dbraw/zinc/26/07/78/816260778.db2.gz VPZTVVFXOMCITQ-LJISPDSOSA-N 2 0 338.452 -0.532 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC[N@@H+]1C ZINC001086371423 816310111 /nfs/dbraw/zinc/31/01/11/816310111.db2.gz IAJBTXTUIGBSNR-DHGKCCLASA-N 2 0 336.436 -0.384 20 0 EBADRP Cn1ncnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001086373292 816310595 /nfs/dbraw/zinc/31/05/95/816310595.db2.gz RZSNBMSAMDOMBA-TUVASFSCSA-N 2 0 348.451 -0.337 20 0 EBADRP CC(C)[C@H](C(=O)N(C)CC[N@H+](C)CCN1C(=O)CNC1=O)[NH+](C)C ZINC001272158422 816331949 /nfs/dbraw/zinc/33/19/49/816331949.db2.gz KBQPGVBQRRIBJN-CQSZACIVSA-N 2 0 341.456 -0.485 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1)C(N)=O ZINC001086431922 816332943 /nfs/dbraw/zinc/33/29/43/816332943.db2.gz GZANVVRYXUFKOP-SDDMYYEOSA-N 2 0 336.436 -0.792 20 0 EBADRP CC(C)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001272169321 816336966 /nfs/dbraw/zinc/33/69/66/816336966.db2.gz SGOOBDXYTSIIAQ-OAHLLOKOSA-N 2 0 340.468 -0.737 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272234849 816362660 /nfs/dbraw/zinc/36/26/60/816362660.db2.gz JXQHYQFVDINCIX-HNNXBMFYSA-N 2 0 342.484 -0.252 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001086550610 816372210 /nfs/dbraw/zinc/37/22/10/816372210.db2.gz ODHIVJCZMDVTBB-RBSFLKMASA-N 2 0 338.452 -0.719 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086984925 816436099 /nfs/dbraw/zinc/43/60/99/816436099.db2.gz KEDLPLFCVGXSJZ-ZNMIVQPWSA-N 2 0 348.451 -0.726 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCO)C2)C1 ZINC001086997039 816440016 /nfs/dbraw/zinc/44/00/16/816440016.db2.gz IAQNRKZYTCXRCG-CWRNSKLLSA-N 2 0 335.452 -0.362 20 0 EBADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001087010292 816444510 /nfs/dbraw/zinc/44/45/10/816444510.db2.gz URBLWENIYGPABL-CWRNSKLLSA-N 2 0 335.452 -0.219 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]CCN2CCCC2=O)C1 ZINC001272519628 816453420 /nfs/dbraw/zinc/45/34/20/816453420.db2.gz CRHRSVVLBVDEMF-ZIAGYGMSSA-N 2 0 326.441 -0.983 20 0 EBADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@H+](C[C@H]3CCC(=O)N3)C2)C1=O ZINC001272524610 816456894 /nfs/dbraw/zinc/45/68/94/816456894.db2.gz KXDSZRARWDYODS-CXAGYDPISA-N 2 0 336.436 -0.332 20 0 EBADRP CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001087256695 816485039 /nfs/dbraw/zinc/48/50/39/816485039.db2.gz GBVYVBCUMZGPQS-QWHCGFSZSA-N 2 0 335.408 -0.229 20 0 EBADRP C[C@H](CC[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001272688960 816507559 /nfs/dbraw/zinc/50/75/59/816507559.db2.gz USLXHBGJZMINKK-YPMHNXCESA-N 2 0 339.440 -0.447 20 0 EBADRP C[C@H](CC[NH2+]CCN1CCCC1=O)NC(=O)[C@H]1CN(C)CCO1 ZINC001272704680 816508750 /nfs/dbraw/zinc/50/87/50/816508750.db2.gz TYLRXSGJVLOORG-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001273019315 816568239 /nfs/dbraw/zinc/56/82/39/816568239.db2.gz VHJCJMIAEZIWBY-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[C@H](C(N)=O)N1C[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273029872 816570679 /nfs/dbraw/zinc/57/06/79/816570679.db2.gz GSFZUVZNQGGACQ-RHSMWYFYSA-N 2 0 338.452 -0.447 20 0 EBADRP COC(CN1C[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O)OC ZINC001273031526 816571470 /nfs/dbraw/zinc/57/14/70/816571470.db2.gz WWNTWFWXQUBLIW-KRWDZBQOSA-N 2 0 341.452 -0.092 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CCN4CCNC4=O)CC[C@@H]3C2)C1 ZINC001088200096 816647134 /nfs/dbraw/zinc/64/71/34/816647134.db2.gz PQDQCOCXKPHKKK-PMPSAXMXSA-N 2 0 349.479 -0.256 20 0 EBADRP CCN(CC[NH2+]CCN1CCCS1(=O)=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001273752347 816749835 /nfs/dbraw/zinc/74/98/35/816749835.db2.gz IRXAVAHEENEIME-AWEZNQCLSA-N 2 0 346.497 -0.588 20 0 EBADRP C[NH+](C)CCN1C(=O)COCC12C[NH+](CCCCCC(N)=O)C2 ZINC001273761564 816751179 /nfs/dbraw/zinc/75/11/79/816751179.db2.gz PKTVQLLFBKMWRZ-UHFFFAOYSA-N 2 0 326.441 -0.493 20 0 EBADRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](C[C@H]1COCCO1)C2 ZINC001273773617 816755621 /nfs/dbraw/zinc/75/56/21/816755621.db2.gz HQBNSJHVNHSIGL-RDJZCZTQSA-N 2 0 341.452 -0.486 20 0 EBADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@H+](C[C@@H]3COCCO3)C2)C1=O ZINC001273774549 816757602 /nfs/dbraw/zinc/75/76/02/816757602.db2.gz PYAQMMOTOFCKEW-RHSMWYFYSA-N 2 0 339.436 -0.196 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CCN1CCNC1=O ZINC001088983563 816775561 /nfs/dbraw/zinc/77/55/61/816775561.db2.gz DDRKDYCZYZPINE-KGLIPLIRSA-N 2 0 335.452 -0.314 20 0 EBADRP COC(=O)CC[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273966278 816824954 /nfs/dbraw/zinc/82/49/54/816824954.db2.gz RMVBLIFCTNWLGL-INIZCTEOSA-N 2 0 327.425 -0.338 20 0 EBADRP CC[C@H](C(=O)NC/C=C/C[NH2+]CC(=O)N1CCO[C@@H](C)C1)[NH+](C)C ZINC001274124942 816873792 /nfs/dbraw/zinc/87/37/92/816873792.db2.gz LPIDSXMODIOZJM-MFHOCJEASA-N 2 0 340.468 -0.164 20 0 EBADRP CC(C)c1nccn1CC(=O)NC/C=C\C[NH2+]CC(=O)NC(N)=O ZINC001274404015 816948882 /nfs/dbraw/zinc/94/88/82/816948882.db2.gz HEIIXPFDWNUNGZ-ARJAWSKDSA-N 2 0 336.396 -0.537 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+]CCn2cncn2)CC1 ZINC001274543227 816997524 /nfs/dbraw/zinc/99/75/24/816997524.db2.gz HCTDPIFZRWVZSF-CQSZACIVSA-N 2 0 336.440 -0.685 20 0 EBADRP CCOC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274564419 817008262 /nfs/dbraw/zinc/00/82/62/817008262.db2.gz FITSYXLRZVRKTI-GDBMZVCRSA-N 2 0 329.441 -0.751 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC/C=C/CNCc1nncn1C ZINC001274577558 817019207 /nfs/dbraw/zinc/01/92/07/817019207.db2.gz ATPVBBOQEDUMSH-XGACYXMMSA-N 2 0 336.440 -0.455 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC/C=C/CNCc1nncn1C ZINC001274577555 817019651 /nfs/dbraw/zinc/01/96/51/817019651.db2.gz ATPVBBOQEDUMSH-RDFMZFSFSA-N 2 0 336.440 -0.455 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001274643459 817055590 /nfs/dbraw/zinc/05/55/90/817055590.db2.gz QJJBBAPYYONXPW-HOCLYGCPSA-N 2 0 329.441 -0.894 20 0 EBADRP COCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]12 ZINC001274980188 817135858 /nfs/dbraw/zinc/13/58/58/817135858.db2.gz GSPHLNCPJMRDRM-KBPBESRZSA-N 2 0 338.452 -0.767 20 0 EBADRP COCCOC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CCOC)CC3)[C@H]2C1 ZINC001274981529 817136118 /nfs/dbraw/zinc/13/61/18/817136118.db2.gz LBLNLNHAIXFGME-GJZGRUSLSA-N 2 0 341.452 -0.234 20 0 EBADRP CN(CCC[NH2+]CC(=O)NC(C)(C)C)C(=O)[C@@H]1CN(C)CCO1 ZINC001275931695 817318685 /nfs/dbraw/zinc/31/86/85/817318685.db2.gz XJEIWKBAHFFUMB-ZDUSSCGKSA-N 2 0 328.457 -0.330 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)CCN1C(=O)CCC1=O ZINC001276011034 817338455 /nfs/dbraw/zinc/33/84/55/817338455.db2.gz KQMCJCFAUANKQV-CYBMUJFWSA-N 2 0 326.441 -0.088 20 0 EBADRP CN(CCC[NH2+][C@H]1CCNC1=O)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001276072279 817352988 /nfs/dbraw/zinc/35/29/88/817352988.db2.gz XQLWDLZYFYFAPD-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)N(C)CCC[NH2+]CC(=O)NC(N)=O)CC1 ZINC001276311533 817383779 /nfs/dbraw/zinc/38/37/79/817383779.db2.gz UKDNWUDRUWVAOE-UHFFFAOYSA-N 2 0 341.456 -0.260 20 0 EBADRP Cn1cc(C[N@@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)c(=O)n(C)c1=O ZINC001276322020 817385590 /nfs/dbraw/zinc/38/55/90/817385590.db2.gz YIRINIMISPWBIM-UHFFFAOYSA-N 2 0 349.479 -0.457 20 0 EBADRP C[NH+]1CCC(NC(=O)[C@@]23C[C@@H]2C[N@H+](CCN2CCOCC2)C3)CC1 ZINC001277021552 817510715 /nfs/dbraw/zinc/51/07/15/817510715.db2.gz CAYYVYHAZQFNMW-CRAIPNDOSA-N 2 0 336.480 -0.149 20 0 EBADRP CN1CCO[C@@H](C(=O)NCCOCC[N@H+](C)C[C@@H]2CCOC2)C1 ZINC001277481145 817575126 /nfs/dbraw/zinc/57/51/26/817575126.db2.gz MSKBMLQBVUJBQV-LSDHHAIUSA-N 2 0 329.441 -0.582 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CC[N@H+](CCCF)C[C@@H]2O)cn1 ZINC001090637216 817602177 /nfs/dbraw/zinc/60/21/77/817602177.db2.gz IUQFIBQGWGGNAS-CABCVRRESA-N 2 0 341.431 -0.031 20 0 EBADRP CN(C(=O)C[NH+]1CCCC1)[C@H](C[NH2+]CCN1CCNC1=O)C1CC1 ZINC001277726474 817629022 /nfs/dbraw/zinc/62/90/22/817629022.db2.gz KEKCPPRPPKEZII-OAHLLOKOSA-N 2 0 337.468 -0.066 20 0 EBADRP COCCCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001277823636 817641283 /nfs/dbraw/zinc/64/12/83/817641283.db2.gz NNZIEUCGQXMDHI-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP COC(=O)CC[N@@H+]1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001277872098 817650183 /nfs/dbraw/zinc/65/01/83/817650183.db2.gz PTYXUYRBDRENPV-KRWDZBQOSA-N 2 0 340.468 -0.232 20 0 EBADRP COCCOC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@H](C)O)CC3)[C@@H]2C1 ZINC001277961481 817663435 /nfs/dbraw/zinc/66/34/35/817663435.db2.gz YHJCBQUIFRXREW-RRFJBIMHSA-N 2 0 341.452 -0.500 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCNC(=O)NC(C)(C)C ZINC001278053224 817687224 /nfs/dbraw/zinc/68/72/24/817687224.db2.gz DIVYZYSJJOTRQU-OLZOCXBDSA-N 2 0 343.472 -0.755 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001090814179 817770253 /nfs/dbraw/zinc/77/02/53/817770253.db2.gz JHPKNLMVNRYQQN-HUUCEWRRSA-N 2 0 338.452 -0.744 20 0 EBADRP Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](O)C2)cn1 ZINC001090818959 817775901 /nfs/dbraw/zinc/77/59/01/817775901.db2.gz YMBNVJCWZRJFJF-HZPDHXFCSA-N 2 0 335.452 -0.390 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CCOCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001279437747 817931824 /nfs/dbraw/zinc/93/18/24/817931824.db2.gz YNYUIEDAGLOLMR-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP COc1cncc(C[NH2+]CCN(CCO)C(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001279900960 818002530 /nfs/dbraw/zinc/00/25/30/818002530.db2.gz ASVHHEUMAZYSMO-ZDUSSCGKSA-N 2 0 337.424 -0.653 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001091543175 818006620 /nfs/dbraw/zinc/00/66/20/818006620.db2.gz DTGZBCBRCMJBRI-RKVPGOIHSA-N 2 0 349.479 -0.114 20 0 EBADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001091677253 818029738 /nfs/dbraw/zinc/02/97/38/818029738.db2.gz OFLWQVPXRDHONT-VKJFTORMSA-N 2 0 334.464 -0.146 20 0 EBADRP C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]CCOCCO ZINC001281456625 818187968 /nfs/dbraw/zinc/18/79/68/818187968.db2.gz JZIUHDDRCPKZQA-GOEBONIOSA-N 2 0 343.468 -0.457 20 0 EBADRP Cn1cc(CC[NH2+]CC2(O)CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC001281603405 818231549 /nfs/dbraw/zinc/23/15/49/818231549.db2.gz MJCSSNAGQNFQRG-MRXNPFEDSA-N 2 0 349.479 0.000 20 0 EBADRP C[NH+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001281880836 818302770 /nfs/dbraw/zinc/30/27/70/818302770.db2.gz BDWBWABHRQDEQB-ZDUSSCGKSA-N 2 0 334.486 -0.542 20 0 EBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CCN1C(=O)CNC1=O ZINC001282495175 818441736 /nfs/dbraw/zinc/44/17/36/818441736.db2.gz RORBHXNOASXWSI-GFCCVEGCSA-N 2 0 325.413 -0.930 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CC(=O)N(C3CN(CCCO)C3)C2)C1 ZINC001094809557 818501246 /nfs/dbraw/zinc/50/12/46/818501246.db2.gz MNGOAYYSKSQSTR-ZIAGYGMSSA-N 2 0 338.452 -0.888 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)C[NH+]2CCCC2)C3)nc1=O ZINC001095057179 818555673 /nfs/dbraw/zinc/55/56/73/818555673.db2.gz MHSZTYSGQYTAAF-IHRRRGAJSA-N 2 0 348.451 -0.327 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCNC(=O)C[NH+]1CCCC1 ZINC001283024359 818590542 /nfs/dbraw/zinc/59/05/42/818590542.db2.gz HHUFAAAOPPORGY-AWEZNQCLSA-N 2 0 326.441 -0.717 20 0 EBADRP C[C@H](CCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001283174747 818685761 /nfs/dbraw/zinc/68/57/61/818685761.db2.gz ZGCQUNMJAWNHKL-DGCLKSJQSA-N 2 0 339.440 -0.602 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283278260 818734520 /nfs/dbraw/zinc/73/45/20/818734520.db2.gz KADDLOMSQUICKT-CHWSQXEVSA-N 2 0 341.456 -0.342 20 0 EBADRP C[C@@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001283881540 819017190 /nfs/dbraw/zinc/01/71/90/819017190.db2.gz NLKFDQUAFPBZCB-OCCSQVGLSA-N 2 0 346.497 -0.401 20 0 EBADRP C[C@@H](O)C[N@H+](CCO)C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001098392788 819167710 /nfs/dbraw/zinc/16/77/10/819167710.db2.gz YSUCYPDEDQXITE-CJNGLKHVSA-N 2 0 327.469 -0.007 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CCC([N@H+](CCO)CC(N)=O)CC1)C1CC1 ZINC001098392259 819167935 /nfs/dbraw/zinc/16/79/35/819167935.db2.gz ORPMTDNHYXBOEG-HNNXBMFYSA-N 2 0 326.441 -0.903 20 0 EBADRP CNC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001098406357 819173971 /nfs/dbraw/zinc/17/39/71/819173971.db2.gz OUOAJCJEEMAFPB-HNNXBMFYSA-N 2 0 340.468 -0.498 20 0 EBADRP NC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@H]2CCc3nccn3C2)CC1 ZINC001098413107 819176312 /nfs/dbraw/zinc/17/63/12/819176312.db2.gz PALSOJRDNADMND-ZDUSSCGKSA-N 2 0 349.435 -0.784 20 0 EBADRP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C(C)(C)C1 ZINC001284313854 819180527 /nfs/dbraw/zinc/18/05/27/819180527.db2.gz TXIMXKRDJFIWOJ-QWHCGFSZSA-N 2 0 338.452 -0.040 20 0 EBADRP CNC(=O)C[N@H+](CCO)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001098561637 819246646 /nfs/dbraw/zinc/24/66/46/819246646.db2.gz KJADFQMXOYCMQM-UHFFFAOYSA-N 2 0 326.441 -0.887 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001284674778 819323427 /nfs/dbraw/zinc/32/34/27/819323427.db2.gz HCISIKRFSWRPAG-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098774853 819362864 /nfs/dbraw/zinc/36/28/64/819362864.db2.gz SWZSIXUHTWFIGZ-OAHLLOKOSA-N 2 0 338.456 -0.135 20 0 EBADRP C[C@@H]([NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001284854503 819373770 /nfs/dbraw/zinc/37/37/70/819373770.db2.gz HNGWCFJMEXCUFQ-KGLIPLIRSA-N 2 0 328.457 -0.378 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CCOCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001284869639 819381654 /nfs/dbraw/zinc/38/16/54/819381654.db2.gz YYHAXOMOGPRYGT-HIFRSBDPSA-N 2 0 340.468 -0.473 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCOCC[NH2+][C@H]1CCNC1=O ZINC001284878791 819387152 /nfs/dbraw/zinc/38/71/52/819387152.db2.gz VGUSKVADZBQXDJ-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CN(CCOCC[NH2+][C@H]1CCN(C)C1=O)C(=O)C[NH+]1CCCC1 ZINC001284878885 819387342 /nfs/dbraw/zinc/38/73/42/819387342.db2.gz XFUQETBEMHXMNP-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@H]2O)CCC1 ZINC001099872798 819811488 /nfs/dbraw/zinc/81/14/88/819811488.db2.gz ZMXFSIUGRSYKKU-UONOGXRCSA-N 2 0 329.441 -0.969 20 0 EBADRP Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@H](O)C2)cn1 ZINC001099880337 819824660 /nfs/dbraw/zinc/82/46/60/819824660.db2.gz YQKBDIAAHNVSLD-IAGOWNOFSA-N 2 0 349.479 -0.002 20 0 EBADRP O=C(N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001099904237 819888175 /nfs/dbraw/zinc/88/81/75/819888175.db2.gz SABRJGKWYRAIMY-CABCVRRESA-N 2 0 341.452 -0.825 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C[C@@H]2O)CC1 ZINC001099972468 819976766 /nfs/dbraw/zinc/97/67/66/819976766.db2.gz XAKGVRUGWSWEOJ-KGLIPLIRSA-N 2 0 336.440 -0.829 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C[C@@H]2O)CC1 ZINC001099972467 819976930 /nfs/dbraw/zinc/97/69/30/819976930.db2.gz XAKGVRUGWSWEOJ-KBPBESRZSA-N 2 0 336.440 -0.829 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001099973849 819977989 /nfs/dbraw/zinc/97/79/89/819977989.db2.gz JXJALLYTCUMLCS-CABCVRRESA-N 2 0 340.468 -0.498 20 0 EBADRP COCCOCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099974735 819979709 /nfs/dbraw/zinc/97/97/09/819979709.db2.gz UVXIIJMKWADROB-HUUCEWRRSA-N 2 0 331.457 -0.457 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1CCN(CC(=O)NC(C)(C)C)C[C@@H]1O ZINC001099985278 819989434 /nfs/dbraw/zinc/98/94/34/819989434.db2.gz AKVPGZLYOCHOIB-STQMWFEESA-N 2 0 328.457 -0.596 20 0 EBADRP C[NH+](C)CCOCC(=O)NC[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001286448749 819991683 /nfs/dbraw/zinc/99/16/83/819991683.db2.gz RODBQIIBYWOMST-KKUMJFAQSA-N 2 0 340.468 -0.473 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CC[NH+](CCOCCO)C[C@@H]2O)C1 ZINC001100009186 820023581 /nfs/dbraw/zinc/02/35/81/820023581.db2.gz UFZNRLRMHHZMCN-GJZGRUSLSA-N 2 0 343.468 -0.721 20 0 EBADRP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CCOCCO)C[C@H]1O)CC(C)(C)C ZINC001100012727 820037021 /nfs/dbraw/zinc/03/70/21/820037021.db2.gz BUDQPJMHRIBTSG-HUUCEWRRSA-N 2 0 345.484 -0.475 20 0 EBADRP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CCOCCO)C[C@@H]1O)CC(C)(C)C ZINC001100012725 820037715 /nfs/dbraw/zinc/03/77/15/820037715.db2.gz BUDQPJMHRIBTSG-CABCVRRESA-N 2 0 345.484 -0.475 20 0 EBADRP COCCC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100050485 820125849 /nfs/dbraw/zinc/12/58/49/820125849.db2.gz IYFDHORTHISIJI-JKSUJKDBSA-N 2 0 343.468 -0.315 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@H+](CCn2cccn2)C[C@H]1O ZINC001100074177 820164138 /nfs/dbraw/zinc/16/41/38/820164138.db2.gz JXDAKBAFVNACAN-LSDHHAIUSA-N 2 0 339.440 -0.987 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001100074178 820164918 /nfs/dbraw/zinc/16/49/18/820164918.db2.gz JYYBEYUEBUXSPX-CVEARBPZSA-N 2 0 343.468 -0.457 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@H+](CCOC2CCC2)C[C@@H]1O ZINC001100076849 820172307 /nfs/dbraw/zinc/17/23/07/820172307.db2.gz SOPRWCSYBBXHAF-CVEARBPZSA-N 2 0 343.468 -0.315 20 0 EBADRP COCCOCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100081384 820178839 /nfs/dbraw/zinc/17/88/39/820178839.db2.gz RGTXZYQUODRTAD-HOTGVXAUSA-N 2 0 345.484 -0.067 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCc2ccnn2C)C[C@H]1O ZINC001100083495 820185451 /nfs/dbraw/zinc/18/54/51/820185451.db2.gz SYARFSHKNCOQJB-JKSUJKDBSA-N 2 0 337.468 -0.144 20 0 EBADRP COCCOCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100109288 820225816 /nfs/dbraw/zinc/22/58/16/820225816.db2.gz CCHYDKBOHKAKDE-CABCVRRESA-N 2 0 329.441 -0.703 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCc2ccnn2C)C[C@@H]1O ZINC001100132036 820272042 /nfs/dbraw/zinc/27/20/42/820272042.db2.gz MFTBXVXOEFRMMI-HOTGVXAUSA-N 2 0 337.468 -0.146 20 0 EBADRP CN(CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1)S(C)(=O)=O ZINC001100185813 820307223 /nfs/dbraw/zinc/30/72/23/820307223.db2.gz OUZSNKMQAKOHNS-RUXDESIVSA-N 2 0 346.497 -0.544 20 0 EBADRP C[NH+](C)C1(C(=O)NCC2CC([NH2+]CCNS(C)(=O)=O)C2)CCC1 ZINC001100404687 820405686 /nfs/dbraw/zinc/40/56/86/820405686.db2.gz OMVSKCBRKKCLTP-UHFFFAOYSA-N 2 0 346.497 -0.496 20 0 EBADRP CC(C)[C@@H](C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001100426302 820417445 /nfs/dbraw/zinc/41/74/45/820417445.db2.gz AGRSGTZVBCEENS-XIVSLSHWSA-N 2 0 327.429 -0.748 20 0 EBADRP CC(=O)NCCOCC[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100637261 820495859 /nfs/dbraw/zinc/49/58/59/820495859.db2.gz JSRVJOCYDMURKY-UHFFFAOYSA-N 2 0 328.457 -0.425 20 0 EBADRP CN(CC[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1)S(C)(=O)=O ZINC001100637102 820496120 /nfs/dbraw/zinc/49/61/20/820496120.db2.gz BWDRBJUDPZCRBF-UHFFFAOYSA-N 2 0 334.486 -0.686 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]C2CC(CNC(=O)CC[NH+](C)C)C2)CCO1 ZINC001100638214 820496192 /nfs/dbraw/zinc/49/61/92/820496192.db2.gz AGROMZFSZVXVQO-WLYUNCDWSA-N 2 0 340.468 -0.330 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100637298 820496346 /nfs/dbraw/zinc/49/63/46/820496346.db2.gz LRIDPHDRSVXRPW-NRXISQOPSA-N 2 0 331.457 -0.554 20 0 EBADRP C[NH+](C)CCC(=O)NCC1CC([NH2+]CC(=O)Nc2nncs2)C1 ZINC001100637233 820496749 /nfs/dbraw/zinc/49/67/49/820496749.db2.gz IMWIKBTVGBHSPJ-UHFFFAOYSA-N 2 0 340.453 -0.087 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100677097 820507453 /nfs/dbraw/zinc/50/74/53/820507453.db2.gz YKCJCQMUPUHVSX-VOMCLLRMSA-N 2 0 325.413 -0.850 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC2CC([NH2+]CCN3CCNC3=O)C2)C1 ZINC001100678739 820508808 /nfs/dbraw/zinc/50/88/08/820508808.db2.gz VPJMUSZZCDVDFX-WLYUNCDWSA-N 2 0 337.468 -0.162 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001100678717 820509282 /nfs/dbraw/zinc/50/92/82/820509282.db2.gz VAQXXKZDDSCXEA-HIFPTAJRSA-N 2 0 339.440 -0.732 20 0 EBADRP CC[C@@H](C(=O)NCC1CC([NH2+]CCN2C(=O)CCC2=O)C1)[NH+](C)C ZINC001100685474 820511131 /nfs/dbraw/zinc/51/11/31/820511131.db2.gz HVWFFSVTLAIGLN-RUXDESIVSA-N 2 0 338.452 -0.040 20 0 EBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001100804248 820558058 /nfs/dbraw/zinc/55/80/58/820558058.db2.gz MDGXEALBHROQMZ-UHFFFAOYSA-N 2 0 326.441 -0.672 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001100827708 820564351 /nfs/dbraw/zinc/56/43/51/820564351.db2.gz QKCGFVGVLCXATJ-VOMCLLRMSA-N 2 0 327.429 -0.604 20 0 EBADRP C[C@@H]([NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1)c1nncn1C ZINC001100870727 820585519 /nfs/dbraw/zinc/58/55/19/820585519.db2.gz MHWGGPDYAYQBSS-IYXRBSQSSA-N 2 0 338.456 -0.061 20 0 EBADRP O=C(NCC1CC([NH2+]C[C@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001100872626 820586244 /nfs/dbraw/zinc/58/62/44/820586244.db2.gz BZLSXDZUFOFZSD-GPANFISMSA-N 2 0 347.463 -0.176 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001100980815 820630591 /nfs/dbraw/zinc/63/05/91/820630591.db2.gz HHPLIDHLGQLXLG-ROKHWSDSSA-N 2 0 346.497 -0.638 20 0 EBADRP CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1)[NH+](C)C ZINC001101365777 820768049 /nfs/dbraw/zinc/76/80/49/820768049.db2.gz JBMJMKNUPPEESS-WQGACYEGSA-N 2 0 339.440 -0.698 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432394 820790012 /nfs/dbraw/zinc/79/00/12/820790012.db2.gz PZSPPYGLRYGGQG-VYDXJSESSA-N 2 0 343.468 -0.648 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001102369998 821081659 /nfs/dbraw/zinc/08/16/59/821081659.db2.gz NBWPKCQILFDCDM-YNEHKIRRSA-N 2 0 339.440 -0.793 20 0 EBADRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C)[NH+](C)C ZINC001102378326 821084471 /nfs/dbraw/zinc/08/44/71/821084471.db2.gz SSWLAYWCQATVQT-UTUOFQBUSA-N 2 0 327.429 -0.794 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102476109 821119135 /nfs/dbraw/zinc/11/91/35/821119135.db2.gz UUVKMEABWMWKGD-JHJVBQTASA-N 2 0 341.456 -0.404 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1C ZINC001102475368 821119418 /nfs/dbraw/zinc/11/94/18/821119418.db2.gz KXOWSCJJFGLRIM-ZIAGYGMSSA-N 2 0 348.513 -0.439 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102525811 821138102 /nfs/dbraw/zinc/13/81/02/821138102.db2.gz WHZFTTUTUVPKKE-FRRDWIJNSA-N 2 0 341.456 -0.404 20 0 EBADRP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103641848 821335435 /nfs/dbraw/zinc/33/54/35/821335435.db2.gz GMZCKNFVNJQKGY-HUUCEWRRSA-N 2 0 342.484 -0.273 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001104621389 821524139 /nfs/dbraw/zinc/52/41/39/821524139.db2.gz DHEARCGWKFJXPU-MCIONIFRSA-N 2 0 338.452 -0.183 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001105007912 821571001 /nfs/dbraw/zinc/57/10/01/821571001.db2.gz IEHUYKPEHSXBSN-UPJWGTAASA-N 2 0 339.440 -0.793 20 0 EBADRP C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC001105326870 821694185 /nfs/dbraw/zinc/69/41/85/821694185.db2.gz KFSXENKJNCQBGQ-CHWSQXEVSA-N 2 0 336.440 -0.384 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001316666324 821827227 /nfs/dbraw/zinc/82/72/27/821827227.db2.gz HHLDCJZCEBFJSB-BFHYXJOUSA-N 2 0 346.497 -0.638 20 0 EBADRP CN1CCO[C@@H](C(=O)NCCC[N@H+](C)CC(=O)NC(C)(C)C)C1 ZINC001316819458 821865778 /nfs/dbraw/zinc/86/57/78/821865778.db2.gz GNVGQGIHFQGLFW-CYBMUJFWSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001316824803 821869914 /nfs/dbraw/zinc/86/99/14/821869914.db2.gz YLIZLDXDZKZAKS-IJLUTSLNSA-N 2 0 327.429 -0.652 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001316840024 821881262 /nfs/dbraw/zinc/88/12/62/821881262.db2.gz MGFFRDXXQOQIKD-GFCCVEGCSA-N 2 0 341.456 -0.118 20 0 EBADRP O=C(N[C@H]1CCC[N@@H+](CCOCCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001316945101 821928309 /nfs/dbraw/zinc/92/83/09/821928309.db2.gz PETAOQMOPSIDIQ-JKSUJKDBSA-N 2 0 325.453 -0.082 20 0 EBADRP COC[C@H](O)C[NH+]1CCN(CCCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001316957079 821936377 /nfs/dbraw/zinc/93/63/77/821936377.db2.gz JVUFMTFZKHIJJF-CVEARBPZSA-N 2 0 342.484 -0.788 20 0 EBADRP C[N@H+](CC(=O)NC[C@H]([NH2+][C@H]1CCC(=O)NC1=O)C1CC1)C1CCC1 ZINC001317016289 821973752 /nfs/dbraw/zinc/97/37/52/821973752.db2.gz LIZZSRPXWIXMSM-KBPBESRZSA-N 2 0 336.436 -0.240 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001317110367 822005407 /nfs/dbraw/zinc/00/54/07/822005407.db2.gz XPEJCMIVHPVRBF-RFQIPJPRSA-N 2 0 346.497 -0.497 20 0 EBADRP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)[NH+](C)C ZINC001317119724 822008685 /nfs/dbraw/zinc/00/86/85/822008685.db2.gz XBXIXFURPORPEN-DVOMOZLQSA-N 2 0 338.452 -0.042 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001317344696 822088747 /nfs/dbraw/zinc/08/87/47/822088747.db2.gz UBYMXGBWORCJTG-CQSZACIVSA-N 2 0 338.452 -0.085 20 0 EBADRP CN(CC[NH2+]CC(=O)NC[C@H]1CCCO1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317601281 822173059 /nfs/dbraw/zinc/17/30/59/822173059.db2.gz UKSVEWLRDXTOSI-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317621480 822181823 /nfs/dbraw/zinc/18/18/23/822181823.db2.gz QTTXRNNEIKFGHE-AWEZNQCLSA-N 2 0 348.513 -0.200 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106249256 822237735 /nfs/dbraw/zinc/23/77/35/822237735.db2.gz DSLBRVHQGVOCRB-MPKXVKKWSA-N 2 0 339.440 -0.794 20 0 EBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001106599950 822295330 /nfs/dbraw/zinc/29/53/30/822295330.db2.gz QRPWWVAXEDAFPD-MGPQQGTHSA-N 2 0 338.452 -0.183 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001106622519 822301241 /nfs/dbraw/zinc/30/12/41/822301241.db2.gz COVFWWDTBZBFND-HUUCEWRRSA-N 2 0 340.468 -0.519 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2cccc(C[NH2+]CCO)n2)C1 ZINC001128107095 828416333 /nfs/dbraw/zinc/41/63/33/828416333.db2.gz MBTCRPPMDZYRFZ-HZPDHXFCSA-N 2 0 347.463 -0.047 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(c3cccc(C[NH2+]CCO)n3)C2)C1 ZINC001128132290 828420072 /nfs/dbraw/zinc/42/00/72/828420072.db2.gz BXVOXBVIFNMZOM-GDBMZVCRSA-N 2 0 347.463 -0.190 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001128539491 828472333 /nfs/dbraw/zinc/47/23/33/828472333.db2.gz FSBJBXSVXOMLAH-LBPRGKRZSA-N 2 0 325.450 -0.193 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001128551727 828474178 /nfs/dbraw/zinc/47/41/78/828474178.db2.gz GFFVSXGEUMAMAU-LBPRGKRZSA-N 2 0 330.404 -0.479 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001128787255 828526544 /nfs/dbraw/zinc/52/65/44/828526544.db2.gz XWGKVDYLEVNIDE-LSDHHAIUSA-N 2 0 340.468 -0.281 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)[C@H](C)C1 ZINC001107040505 823720188 /nfs/dbraw/zinc/72/01/88/823720188.db2.gz HOXQVIBGEISLLU-MGPQQGTHSA-N 2 0 338.452 -0.184 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129329653 828598497 /nfs/dbraw/zinc/59/84/97/828598497.db2.gz ZDAFTTXSXHIRFM-QWHCGFSZSA-N 2 0 341.456 -0.486 20 0 EBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001129333862 828599411 /nfs/dbraw/zinc/59/94/11/828599411.db2.gz KDFKMBAGQXAVMW-AWEZNQCLSA-N 2 0 338.452 -0.181 20 0 EBADRP CN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129362971 828604421 /nfs/dbraw/zinc/60/44/21/828604421.db2.gz CTTPUNDMXYMQPD-CQSZACIVSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C1([NH+](C)C)CCC1)C(=O)NC(=O)NC1CC1 ZINC001129363501 828604747 /nfs/dbraw/zinc/60/47/47/828604747.db2.gz HWXGPJPRNXVYGR-NSHDSACASA-N 2 0 339.440 -0.447 20 0 EBADRP Cn1nncc1C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364523 828605693 /nfs/dbraw/zinc/60/56/93/828605693.db2.gz WDSQEKBZUKHSHY-OAHLLOKOSA-N 2 0 336.440 -0.336 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129407678 828614573 /nfs/dbraw/zinc/61/45/73/828614573.db2.gz SQLKGPVWNZWWOZ-ZNMIVQPWSA-N 2 0 338.456 -0.004 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)COC)C[C@@H]1n1ccnn1 ZINC001129370117 828607353 /nfs/dbraw/zinc/60/73/53/828607353.db2.gz OAUXXJYWWRSTIJ-KFWWJZLASA-N 2 0 338.456 -0.004 20 0 EBADRP CC(C)C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385054 828609765 /nfs/dbraw/zinc/60/97/65/828609765.db2.gz DVJQFPCUBZHXOB-CABCVRRESA-N 2 0 338.456 -0.146 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001129423540 828615309 /nfs/dbraw/zinc/61/53/09/828615309.db2.gz URPHCKPKBCTBJB-RYUDHWBXSA-N 2 0 327.429 -0.462 20 0 EBADRP COCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433620 828618938 /nfs/dbraw/zinc/61/89/38/828618938.db2.gz JFVILVVUEYQPDH-KFWWJZLASA-N 2 0 336.440 -0.392 20 0 EBADRP Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)[C@H](C3CC3)[NH+](C)C)C2=O)n1 ZINC001129442735 828620192 /nfs/dbraw/zinc/62/01/92/828620192.db2.gz DWEAVLXTWRENOQ-ZFWWWQNUSA-N 2 0 348.451 -0.429 20 0 EBADRP COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129532144 828630946 /nfs/dbraw/zinc/63/09/46/828630946.db2.gz SBHMTHVAAGTYHA-ZFWWWQNUSA-N 2 0 331.457 -0.411 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NC(N)=O)C1 ZINC001109719137 824589074 /nfs/dbraw/zinc/58/90/74/824589074.db2.gz WGYKXBUIXPTWMG-RNJOBUHISA-N 2 0 337.424 -0.755 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129918520 828693872 /nfs/dbraw/zinc/69/38/72/828693872.db2.gz BOKPWTHVMAUHTE-KGLIPLIRSA-N 2 0 338.456 -0.268 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001129950525 828699778 /nfs/dbraw/zinc/69/97/78/828699778.db2.gz WBSWINYMNBTIAZ-AAEUAGOBSA-N 2 0 341.456 -0.345 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001179585471 832990718 /nfs/dbraw/zinc/99/07/18/832990718.db2.gz IOQZIRQKNVRIBJ-OLZOCXBDSA-N 2 0 341.456 -0.355 20 0 EBADRP CCCC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130086146 828730064 /nfs/dbraw/zinc/73/00/64/828730064.db2.gz NJUGYQWAMHFFGL-CABCVRRESA-N 2 0 338.456 -0.002 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCc1cccnc1 ZINC001130297271 828777068 /nfs/dbraw/zinc/77/70/68/828777068.db2.gz JYCRWWOMFNQVIJ-OAHLLOKOSA-N 2 0 333.436 -0.112 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001130303334 828777081 /nfs/dbraw/zinc/77/70/81/828777081.db2.gz AGRKORJVDJUDMJ-KBPBESRZSA-N 2 0 326.441 -0.671 20 0 EBADRP Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)[C@H]3CCCC[N@@H+]3C)C2=O)n1 ZINC001130304199 828777797 /nfs/dbraw/zinc/77/77/97/828777797.db2.gz XKWIVXHROZKDLU-ZIAGYGMSSA-N 2 0 348.451 -0.285 20 0 EBADRP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211090647 837385263 /nfs/dbraw/zinc/38/52/63/837385263.db2.gz KOXGMDMVVDTNEX-KBPBESRZSA-N 2 0 326.441 -0.719 20 0 EBADRP O=C(NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001114290300 826196232 /nfs/dbraw/zinc/19/62/32/826196232.db2.gz FQXJZDMDABLNDS-MWDXBVQZSA-N 2 0 346.475 -0.099 20 0 EBADRP O=C(NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001114290301 826196336 /nfs/dbraw/zinc/19/63/36/826196336.db2.gz FQXJZDMDABLNDS-NCOADZHNSA-N 2 0 346.475 -0.099 20 0 EBADRP C[NH+](C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21)C1CC1 ZINC001114404811 826235982 /nfs/dbraw/zinc/23/59/82/826235982.db2.gz HSOAEJABYSIQNX-ABFRBSLYSA-N 2 0 334.464 -0.005 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001179929178 833026338 /nfs/dbraw/zinc/02/63/38/833026338.db2.gz GGHZSNPCVVBJKI-RYUDHWBXSA-N 2 0 337.424 -0.883 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001114465663 826257134 /nfs/dbraw/zinc/25/71/34/826257134.db2.gz IYLZKXQLZMFBCT-FICVDOATSA-N 2 0 325.453 -0.226 20 0 EBADRP CCNC(=O)C[NH2+]CCCCCCNC(=O)COCC[NH+](C)C ZINC001180060720 833038155 /nfs/dbraw/zinc/03/81/55/833038155.db2.gz MWMVUDPRTGXTSZ-UHFFFAOYSA-N 2 0 330.473 -0.033 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001179983061 833031302 /nfs/dbraw/zinc/03/13/02/833031302.db2.gz KGJOUNWAEHKKNS-WOPDTQHZSA-N 2 0 327.429 -0.509 20 0 EBADRP CCCNC(=O)NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114773951 826339950 /nfs/dbraw/zinc/33/99/50/826339950.db2.gz FVFOZRNACDWCFV-JYAVWHMHSA-N 2 0 339.440 -0.780 20 0 EBADRP CCS(=O)(=O)NCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778731 826340454 /nfs/dbraw/zinc/34/04/54/826340454.db2.gz QJPBBMOMMMEQSP-NHAGDIPZSA-N 2 0 346.497 -0.686 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001115001099 826397087 /nfs/dbraw/zinc/39/70/87/826397087.db2.gz RWZHTMDDWJMAFL-LJIGWXMPSA-N 2 0 335.452 -0.368 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](O)COCCOC)C[C@H]21 ZINC001115081699 826415444 /nfs/dbraw/zinc/41/54/44/826415444.db2.gz VVZQPQOFTVQYHP-LJIGWXMPSA-N 2 0 343.468 -0.602 20 0 EBADRP CCN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115118568 826426176 /nfs/dbraw/zinc/42/61/76/826426176.db2.gz IFNKMOXMRUVJTF-VIKVFOODSA-N 2 0 326.441 -0.911 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[NH+](CCNC(=O)C4CC4)C[C@H]32)C1 ZINC001115119267 826426607 /nfs/dbraw/zinc/42/66/07/826426607.db2.gz UEEOHESPCWSTLQ-MKVSYHDVSA-N 2 0 334.464 -0.099 20 0 EBADRP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126227 826428405 /nfs/dbraw/zinc/42/84/05/826428405.db2.gz KTMFSXFLBKEKJB-NYTXWWLZSA-N 2 0 340.468 -0.474 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001115128477 826428651 /nfs/dbraw/zinc/42/86/51/826428651.db2.gz MOWKJXDLKBWCDN-FOLVSLTJSA-N 2 0 334.420 -0.184 20 0 EBADRP CCN(CC)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126690 826428732 /nfs/dbraw/zinc/42/87/32/826428732.db2.gz SELFOQRPRNYHTM-HALDLXJZSA-N 2 0 340.468 -0.521 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCCCC1 ZINC001115451088 826545510 /nfs/dbraw/zinc/54/55/10/826545510.db2.gz ZTFOOKNCNXHHKF-LBPRGKRZSA-N 2 0 339.440 -0.316 20 0 EBADRP CC[C@H](C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCCCC1)[NH+](C)C ZINC001115592046 826560253 /nfs/dbraw/zinc/56/02/53/826560253.db2.gz QDFNYIFXSNQVJQ-GFCCVEGCSA-N 2 0 341.456 -0.070 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCC2([NH2+]CC(N)=O)CCCCC2)CC1 ZINC001115795723 826586319 /nfs/dbraw/zinc/58/63/19/826586319.db2.gz SGSCZYKPMCZRHG-UHFFFAOYSA-N 2 0 340.468 -0.009 20 0 EBADRP COC1(C)CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC001117859120 826812352 /nfs/dbraw/zinc/81/23/52/826812352.db2.gz WAUFOCPANMKULE-UHFFFAOYSA-N 2 0 342.484 -0.034 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@@H](C[NH+](C)C)C3)C[C@H]2[NH3+])cn1 ZINC001118085641 826848956 /nfs/dbraw/zinc/84/89/56/826848956.db2.gz IPGJKQMTFRHYMW-AEGPPILISA-N 2 0 348.451 -0.917 20 0 EBADRP C[NH+](C)C1CCN(CC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001118149693 826860409 /nfs/dbraw/zinc/86/04/09/826860409.db2.gz MSMRUXCJQABIAY-QGZVFWFLSA-N 3 0 327.517 -0.790 20 0 EBADRP C[C@@H](C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[NH+](C)C ZINC001180863478 833116927 /nfs/dbraw/zinc/11/69/27/833116927.db2.gz IJJDGMZVJGLPGB-LBPRGKRZSA-N 2 0 340.449 -0.117 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH3+])CC[C@H]1[NH+]1CCN(C)CC1 ZINC001118573620 826961772 /nfs/dbraw/zinc/96/17/72/826961772.db2.gz DQTYXIHCNAEKQH-HUUCEWRRSA-N 2 0 339.484 -0.722 20 0 EBADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC001119356101 827100738 /nfs/dbraw/zinc/10/07/38/827100738.db2.gz BUSPWHUCLKLMRF-MNOVXSKESA-N 2 0 330.379 -0.300 20 0 EBADRP CC(C)([NH3+])CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001119365246 827102611 /nfs/dbraw/zinc/10/26/11/827102611.db2.gz LQNKPEYSOJIKEZ-ZDUSSCGKSA-N 2 0 326.441 -0.401 20 0 EBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001119427558 827108321 /nfs/dbraw/zinc/10/83/21/827108321.db2.gz QMPCTRCZVOXNNS-OKILXGFUSA-N 2 0 338.452 -0.447 20 0 EBADRP CN(C)C(=O)CC[NH+]1CCC(N2C(=O)N[C@H](C[NH+](C)C)C2=O)CC1 ZINC001119631117 827127241 /nfs/dbraw/zinc/12/72/41/827127241.db2.gz OEZNEIWJXRUKEC-CYBMUJFWSA-N 2 0 339.440 -0.589 20 0 EBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001119704100 827135593 /nfs/dbraw/zinc/13/55/93/827135593.db2.gz ZNGZYCHCYHQIPO-IOASZLSFSA-N 2 0 326.441 -0.903 20 0 EBADRP C[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccccc2C[NH3+])CC1 ZINC001120395199 827207181 /nfs/dbraw/zinc/20/71/81/827207181.db2.gz ZIPMTVKQYCGUIM-UHFFFAOYSA-N 2 0 333.436 -0.163 20 0 EBADRP C[C@H](NC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1)C1=CC[N@H+](C)CC1 ZINC001120425439 827216576 /nfs/dbraw/zinc/21/65/76/827216576.db2.gz CYTAOCYITRMVPJ-ZDUSSCGKSA-N 2 0 338.452 -0.281 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001120448520 827225711 /nfs/dbraw/zinc/22/57/11/827225711.db2.gz BITIEHICOQMOQH-GJZGRUSLSA-N 2 0 340.468 -0.247 20 0 EBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@H]3C[C@H](C[NH3+])C3)C2)CC1 ZINC001120513794 827237432 /nfs/dbraw/zinc/23/74/32/827237432.db2.gz AQRKBXBPRBHVJC-MGPQQGTHSA-N 2 0 337.468 -0.875 20 0 EBADRP C[NH+]1CCN(CC[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001120566627 827246350 /nfs/dbraw/zinc/24/63/50/827246350.db2.gz ALOYQTHWRRHLOP-INIZCTEOSA-N 2 0 341.477 -0.040 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CC2(CC(NC(=O)CC[NH+](C)C)C2)C1 ZINC001121703163 827429086 /nfs/dbraw/zinc/42/90/86/827429086.db2.gz NWHOXMFZLVWYNY-UHFFFAOYSA-N 2 0 339.440 -0.589 20 0 EBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1=O ZINC001121925591 827482812 /nfs/dbraw/zinc/48/28/12/827482812.db2.gz CAEXNNHLHHALSL-HUUCEWRRSA-N 2 0 338.452 -0.636 20 0 EBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001122005618 827501927 /nfs/dbraw/zinc/50/19/27/827501927.db2.gz PTPMBQROZCPUPF-KBPBESRZSA-N 2 0 328.457 -0.343 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC3(C2)CC([NH2+]CC(=O)NC(N)=O)C3)C1 ZINC001122178173 827537955 /nfs/dbraw/zinc/53/79/55/827537955.db2.gz YUCGLZRJMVTOQE-CUMPHSRVSA-N 2 0 337.424 -0.850 20 0 EBADRP CN1C(=O)CN(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1=O ZINC001122236060 827554948 /nfs/dbraw/zinc/55/49/48/827554948.db2.gz SYJBUPLFDGBVHZ-OKILXGFUSA-N 2 0 349.435 -0.692 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@]1(C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001182486445 833237017 /nfs/dbraw/zinc/23/70/17/833237017.db2.gz NEIRRTANNRXGPO-MLGOLLRUSA-N 2 0 338.456 -0.366 20 0 EBADRP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001182670215 833251834 /nfs/dbraw/zinc/25/18/34/833251834.db2.gz KJRZFNUORNCCGJ-CYBMUJFWSA-N 2 0 336.440 -0.663 20 0 EBADRP CS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001182623057 833248469 /nfs/dbraw/zinc/24/84/69/833248469.db2.gz DDSOFFWLSNCIEJ-CABCVRRESA-N 2 0 343.493 -0.047 20 0 EBADRP CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124866663 827969268 /nfs/dbraw/zinc/96/92/68/827969268.db2.gz IISLQBGEYCBMLU-CQSZACIVSA-N 2 0 328.457 -0.282 20 0 EBADRP CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124866621 827969771 /nfs/dbraw/zinc/96/97/71/827969771.db2.gz HHNOJKSGTSNQPN-KBPBESRZSA-N 2 0 328.457 -0.282 20 0 EBADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001183034148 833277703 /nfs/dbraw/zinc/27/77/03/833277703.db2.gz WTGVIMSUZKGWOT-CXAGYDPISA-N 2 0 340.468 -0.343 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001183040373 833278155 /nfs/dbraw/zinc/27/81/55/833278155.db2.gz QXICXKLGHRWMIC-OLZOCXBDSA-N 2 0 339.440 -0.493 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001183165224 833282527 /nfs/dbraw/zinc/28/25/27/833282527.db2.gz SPQCTFULWRZZEX-CKEIUWERSA-N 2 0 342.484 -0.227 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCNS(=O)(=O)CC)C1)[NH+](C)C ZINC001183582389 833296148 /nfs/dbraw/zinc/29/61/48/833296148.db2.gz XJVOJNAVWAHKPR-CHWSQXEVSA-N 2 0 334.486 -0.544 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001183648238 833298091 /nfs/dbraw/zinc/29/80/91/833298091.db2.gz QSXDWPUBAWTDQX-KGLIPLIRSA-N 2 0 346.497 -0.400 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001183764773 833305641 /nfs/dbraw/zinc/30/56/41/833305641.db2.gz HQBHGOPYSXANEW-NWDGAFQWSA-N 2 0 341.456 -0.249 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001127082545 828249631 /nfs/dbraw/zinc/24/96/31/828249631.db2.gz UKLQJLOUEVKQAZ-GJZGRUSLSA-N 2 0 340.468 -0.188 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001127322714 828278970 /nfs/dbraw/zinc/27/89/70/828278970.db2.gz USVACGZBKGAVIV-HNNXBMFYSA-N 2 0 345.484 -0.019 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127339081 828281164 /nfs/dbraw/zinc/28/11/64/828281164.db2.gz PXIDPUULAAOPBO-GFCCVEGCSA-N 2 0 339.440 -0.458 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127466628 828296417 /nfs/dbraw/zinc/29/64/17/828296417.db2.gz VQZDRXGRMHHORN-DZGCQCFKSA-N 2 0 340.468 -0.425 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)no1 ZINC001127474217 828297253 /nfs/dbraw/zinc/29/72/53/828297253.db2.gz KDWMOKVHMOTRHB-CYBMUJFWSA-N 2 0 335.408 -0.031 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2)NC(=O)NC1CC1 ZINC001127475788 828297899 /nfs/dbraw/zinc/29/78/99/828297899.db2.gz YYTYIXLDNJRUKH-ZDUSSCGKSA-N 2 0 337.424 -0.978 20 0 EBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)c2ccn(CC[NH+](C)C)n2)C1=O ZINC001127563017 828304383 /nfs/dbraw/zinc/30/43/83/828304383.db2.gz SJVFSOULKNCXCE-CQSZACIVSA-N 2 0 336.440 -0.615 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NCC[NH2+]CC(=O)NC(C)(C)C)n1 ZINC001127576235 828305253 /nfs/dbraw/zinc/30/52/53/828305253.db2.gz LZUNULIKSZRSIR-UHFFFAOYSA-N 2 0 338.456 -0.321 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)Nc2nncs2)CC[N@@H+]1C ZINC001127637883 828308593 /nfs/dbraw/zinc/30/85/93/828308593.db2.gz AZRDCMXGFGYIRH-NXEZZACHSA-N 2 0 326.426 -0.477 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)N2CCO[C@@H](C)C2)CC[N@@H+]1C ZINC001127644084 828309247 /nfs/dbraw/zinc/30/92/47/828309247.db2.gz UGCHVBRTMYACAI-BFHYXJOUSA-N 2 0 326.441 -0.720 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)CC[N@@H+]1C ZINC001127690983 828314638 /nfs/dbraw/zinc/31/46/38/828314638.db2.gz VKSBBOSTRRJOQE-LSDHHAIUSA-N 2 0 340.468 -0.282 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)CC[N@@H+]1C ZINC001127701269 828316512 /nfs/dbraw/zinc/31/65/12/828316512.db2.gz MKAXXQOXKZZREY-HZSPNIEDSA-N 2 0 331.482 -0.143 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001127701457 828316859 /nfs/dbraw/zinc/31/68/59/828316859.db2.gz PFVZDGBYYLMDPM-QWHCGFSZSA-N 2 0 339.440 -0.636 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCCCC1 ZINC001127778486 828324952 /nfs/dbraw/zinc/32/49/52/828324952.db2.gz GAUFUIBFELDOIP-CABCVRRESA-N 2 0 338.452 -0.432 20 0 EBADRP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nn1 ZINC001127778848 828326329 /nfs/dbraw/zinc/32/63/29/828326329.db2.gz GVDSVKRHLSROKP-KGLIPLIRSA-N 2 0 335.408 -0.446 20 0 EBADRP COc1ccc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)nn1 ZINC001127778850 828327346 /nfs/dbraw/zinc/32/73/46/828327346.db2.gz GVDSVKRHLSROKP-ZIAGYGMSSA-N 2 0 335.408 -0.446 20 0 EBADRP CC(C)NC(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127785089 828329598 /nfs/dbraw/zinc/32/95/98/828329598.db2.gz FPZSNVBDJPMJSC-KGLIPLIRSA-N 2 0 341.456 -0.737 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130532128 828876401 /nfs/dbraw/zinc/87/64/01/828876401.db2.gz VUCRJJIIQXRHCY-CFVMTHIKSA-N 2 0 348.451 -0.856 20 0 EBADRP CN(CCC(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1)c1cc[nH+]cc1 ZINC001130556723 828883082 /nfs/dbraw/zinc/88/30/82/828883082.db2.gz VFXHZCWZJIWRNW-MRXNPFEDSA-N 2 0 346.435 -0.129 20 0 EBADRP O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1)NC1CC1 ZINC001184434398 833330013 /nfs/dbraw/zinc/33/00/13/833330013.db2.gz XECZNGWTZHNIOR-PGMGQSNYSA-N 2 0 348.447 -0.681 20 0 EBADRP Cc1c(C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)ccc2c[nH+]cn21 ZINC001130658519 828907900 /nfs/dbraw/zinc/90/79/00/828907900.db2.gz BRRZAMMZVGVYBD-SECBINFHSA-N 2 0 332.364 -0.454 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001130709180 828919305 /nfs/dbraw/zinc/91/93/05/828919305.db2.gz WJGDORAWSNMMTM-STQMWFEESA-N 2 0 341.456 -0.343 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001130709154 828919645 /nfs/dbraw/zinc/91/96/45/828919645.db2.gz VSZDOCFYELPPTK-CYBMUJFWSA-N 2 0 334.486 -0.638 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001130713433 828920748 /nfs/dbraw/zinc/92/07/48/828920748.db2.gz OAEBHPJPJVNMDF-CQSZACIVSA-N 2 0 325.457 -0.162 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001130711238 828921099 /nfs/dbraw/zinc/92/10/99/828921099.db2.gz RKRDDJUYMOWYKA-OAHLLOKOSA-N 2 0 342.484 -0.035 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001184962011 833344053 /nfs/dbraw/zinc/34/40/53/833344053.db2.gz MJTIPPAGTWBKSY-XQQFMLRXSA-N 2 0 339.440 -0.495 20 0 EBADRP C[C@H](C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)CS(C)(=O)=O ZINC001184878006 833342852 /nfs/dbraw/zinc/34/28/52/833342852.db2.gz XIKBGDCEUOXWEP-MGPQQGTHSA-N 2 0 331.482 -0.048 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001185083692 833346352 /nfs/dbraw/zinc/34/63/52/833346352.db2.gz HTFBXMJWIGGIQZ-QWHCGFSZSA-N 2 0 341.456 -0.532 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(=O)NC(N)=O ZINC001185212732 833350076 /nfs/dbraw/zinc/35/00/76/833350076.db2.gz AKBSWMUGDYVSTF-GHMZBOCLSA-N 2 0 325.413 -0.898 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([NH2+]C[C@H](O)Cn3cccn3)C2)CC1 ZINC001185214779 833350183 /nfs/dbraw/zinc/35/01/83/833350183.db2.gz XRUNMGSRMHBJMU-CABCVRRESA-N 2 0 335.452 -0.224 20 0 EBADRP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCCO ZINC001131121085 829047179 /nfs/dbraw/zinc/04/71/79/829047179.db2.gz MDLCYTYHAPKDQM-RRFJBIMHSA-N 2 0 335.452 -0.362 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001185266802 833353686 /nfs/dbraw/zinc/35/36/86/833353686.db2.gz GQOJWBGMCFUAIE-RBSFLKMASA-N 2 0 339.484 -0.663 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185456046 833359057 /nfs/dbraw/zinc/35/90/57/833359057.db2.gz YFUKDPNOJOZAAK-JHJVBQTASA-N 2 0 341.456 -0.393 20 0 EBADRP O=C(C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1)NC(=O)NC1CC1 ZINC001131370106 829117020 /nfs/dbraw/zinc/11/70/20/829117020.db2.gz DBUSCDQIEVLCSC-UHFFFAOYSA-N 2 0 344.375 -0.358 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001185676327 833366428 /nfs/dbraw/zinc/36/64/28/833366428.db2.gz UVQLCHUDSYFOFO-CYBMUJFWSA-N 2 0 346.497 -0.542 20 0 EBADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185682996 833366918 /nfs/dbraw/zinc/36/69/18/833366918.db2.gz VNMCFQXZJUFADJ-STQMWFEESA-N 2 0 339.440 -0.649 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1)[NH+](C)C ZINC001185715370 833368093 /nfs/dbraw/zinc/36/80/93/833368093.db2.gz CLDUGMCUANAFAE-OLZOCXBDSA-N 2 0 334.486 -0.592 20 0 EBADRP O=C(NCC[NH2+]CCOCC(F)F)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520465 829152263 /nfs/dbraw/zinc/15/22/63/829152263.db2.gz YPMZSASFUTZJKO-MQYJIDSJSA-N 2 0 333.379 -0.163 20 0 EBADRP C[C@H](COCC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1)[NH+]1CCCC1 ZINC001185743912 833368923 /nfs/dbraw/zinc/36/89/23/833368923.db2.gz ZUKTUNWLQHRXKN-HZPDHXFCSA-N 2 0 343.468 -0.313 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@]2(CC[N@H+](CCO)C2)O1 ZINC001131694099 829188569 /nfs/dbraw/zinc/18/85/69/829188569.db2.gz UHCIRBJYCKYTJL-ZBFHGGJFSA-N 2 0 329.441 -0.751 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)N1CCOCC1 ZINC001131790424 829217554 /nfs/dbraw/zinc/21/75/54/829217554.db2.gz NFWOCRQAMYGMCL-MRXNPFEDSA-N 2 0 338.452 -0.575 20 0 EBADRP O=C(NCC[NH2+]CCN1C(=O)CCC1=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131789901 829217921 /nfs/dbraw/zinc/21/79/21/829217921.db2.gz APGXLMJZGFOVGH-INIZCTEOSA-N 2 0 336.436 -0.284 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790630 829217963 /nfs/dbraw/zinc/21/79/63/829217963.db2.gz REYRDXVQDVLIRE-JKSUJKDBSA-N 2 0 343.468 -0.410 20 0 EBADRP C[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+]1CCCCCC1 ZINC001186074960 833388059 /nfs/dbraw/zinc/38/80/59/833388059.db2.gz MMIAVLCXXGMMKU-CHWSQXEVSA-N 2 0 339.440 -0.364 20 0 EBADRP COCCC1([NH3+])CCN(C(=O)C[N@@H+]2CC[C@H](C(=O)OC)C2)CC1 ZINC001186116281 833389545 /nfs/dbraw/zinc/38/95/45/833389545.db2.gz CUCHGESERATMKN-ZDUSSCGKSA-N 2 0 327.425 -0.162 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001186496818 833403514 /nfs/dbraw/zinc/40/35/14/833403514.db2.gz RPVGHHWLBOHEDA-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186560650 833406006 /nfs/dbraw/zinc/40/60/06/833406006.db2.gz CESNLBDICNFOEZ-AWEZNQCLSA-N 2 0 340.468 -0.343 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001132848346 829534099 /nfs/dbraw/zinc/53/40/99/829534099.db2.gz FZQLTHXUNYVBPH-ZIAGYGMSSA-N 2 0 326.441 -0.578 20 0 EBADRP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H](C)CS(C)(=O)=O)C1 ZINC001132851998 829536778 /nfs/dbraw/zinc/53/67/78/829536778.db2.gz FIMUQKYCTJCYSG-UONOGXRCSA-N 2 0 349.497 -0.518 20 0 EBADRP CC(C)[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132859112 829539254 /nfs/dbraw/zinc/53/92/54/829539254.db2.gz WMCWMFDMOMBRDV-HUUCEWRRSA-N 2 0 342.484 -0.038 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCCCC2)C1 ZINC001132858612 829539749 /nfs/dbraw/zinc/53/97/49/829539749.db2.gz BRBUWSVPAFAMRG-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)CC[N@@H+]1C ZINC001132893622 829545690 /nfs/dbraw/zinc/54/56/90/829545690.db2.gz WEFXJPBKERZWKV-KKUMJFAQSA-N 2 0 340.468 -0.425 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132893026 829545753 /nfs/dbraw/zinc/54/57/53/829545753.db2.gz HHELAFUROSSYGT-TUAOUCFPSA-N 2 0 327.429 -0.733 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132983647 829566609 /nfs/dbraw/zinc/56/66/09/829566609.db2.gz GEOPKQSMODYSSP-UHFFFAOYSA-N 2 0 339.396 -0.494 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132983815 829566811 /nfs/dbraw/zinc/56/68/11/829566811.db2.gz MBYAQZROBIKZMP-AWEZNQCLSA-N 2 0 343.424 -0.316 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)CC1 ZINC001132993268 829568056 /nfs/dbraw/zinc/56/80/56/829568056.db2.gz QVDZAQOUTAXIKB-ZDUSSCGKSA-N 2 0 326.441 -0.983 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C)s1 ZINC001133040566 829577948 /nfs/dbraw/zinc/57/79/48/829577948.db2.gz XAEMFMKCVVXFFB-UHFFFAOYSA-N 2 0 328.442 -0.167 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001133245760 829610606 /nfs/dbraw/zinc/61/06/06/829610606.db2.gz KKHGXNVDDQLLSA-UONOGXRCSA-N 2 0 328.457 -0.615 20 0 EBADRP CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133291071 829616315 /nfs/dbraw/zinc/61/63/15/829616315.db2.gz JGYWHFIRUMCLBC-LBPRGKRZSA-N 2 0 329.445 -0.486 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)CC[NH+](C)C)C(=O)NC(=O)NC(C)(C)C ZINC001133296890 829617653 /nfs/dbraw/zinc/61/76/53/829617653.db2.gz DBQOOQYYVMLQHJ-LLVKDONJSA-N 2 0 329.445 -0.343 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001186824643 833432112 /nfs/dbraw/zinc/43/21/12/833432112.db2.gz CXTKCJBWENXRAH-CYBMUJFWSA-N 2 0 334.486 -0.590 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)Nc1nncs1 ZINC001133819642 829680220 /nfs/dbraw/zinc/68/02/20/829680220.db2.gz KALLCANZWZONGT-SNVBAGLBSA-N 2 0 326.426 -0.333 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133834446 829681858 /nfs/dbraw/zinc/68/18/58/829681858.db2.gz YDGWKXAJKXTLCP-ZDUSSCGKSA-N 2 0 341.456 -0.198 20 0 EBADRP COCCS(=O)(=O)CCC[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133846213 829684762 /nfs/dbraw/zinc/68/47/62/829684762.db2.gz WFXDOCZJPFXPNM-CQSZACIVSA-N 2 0 349.497 -0.515 20 0 EBADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCC[NH2+]CCS(C)(=O)=O)C1 ZINC001133849602 829686486 /nfs/dbraw/zinc/68/64/86/829686486.db2.gz AJMXOACUAOQQCM-CQSZACIVSA-N 2 0 337.461 -0.051 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001133849714 829686964 /nfs/dbraw/zinc/68/69/64/829686964.db2.gz CKNHQYMOCDCUKJ-KBPBESRZSA-N 2 0 326.441 -0.813 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)n(C)n1 ZINC001133866740 829689563 /nfs/dbraw/zinc/68/95/63/829689563.db2.gz OOAAXDMVFKDXNM-WCQYABFASA-N 2 0 336.440 -0.429 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133897074 829694836 /nfs/dbraw/zinc/69/48/36/829694836.db2.gz XWNGKFKEDJOZRF-CQSZACIVSA-N 2 0 331.457 -0.552 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)NCC[NH2+]CC(=O)Nc2cnccn2)C1 ZINC001133894231 829695108 /nfs/dbraw/zinc/69/51/08/829695108.db2.gz YTEXLCZEAPDIHS-UHFFFAOYSA-N 2 0 334.424 -0.147 20 0 EBADRP C[N@H+](CC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O)CC(C)(C)C ZINC001133908451 829697495 /nfs/dbraw/zinc/69/74/95/829697495.db2.gz RQCGFYVTRQVBAZ-UHFFFAOYSA-N 2 0 341.456 -0.388 20 0 EBADRP C[N@H+](CCc1ccccc1)CC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001133918092 829700740 /nfs/dbraw/zinc/70/07/40/829700740.db2.gz ORHMDSHVKGHGMF-OAHLLOKOSA-N 2 0 346.431 -0.328 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1)[NH+](C)C ZINC001133965610 829707252 /nfs/dbraw/zinc/70/72/52/829707252.db2.gz AYOATRFPCVEVHI-ZFWWWQNUSA-N 2 0 331.457 -0.411 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC(C)C)[NH+](C)C ZINC001133968575 829708207 /nfs/dbraw/zinc/70/82/07/829708207.db2.gz ZMILSGZVAWXZAP-NEPJUHHUSA-N 2 0 329.445 -0.345 20 0 EBADRP C[C@H](COCC(=O)NCC[NH2+][C@H]1CCN(C)C1=O)[NH+]1CCCC1 ZINC001134020834 829713005 /nfs/dbraw/zinc/71/30/05/829713005.db2.gz IGRZGNMWXMQKIH-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H](COCC(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1)[NH+]1CCCC1 ZINC001134021104 829713298 /nfs/dbraw/zinc/71/32/98/829713298.db2.gz RHQHKHRLNDHNRP-KBPBESRZSA-N 2 0 340.468 -0.140 20 0 EBADRP C[C@@H](COCC(=O)NCC[NH2+]CCS(C)(=O)=O)[NH+]1CCCC1 ZINC001134058280 829719740 /nfs/dbraw/zinc/71/97/40/829719740.db2.gz HOAQPCCPHVCMNV-ZDUSSCGKSA-N 2 0 335.470 -0.762 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001134583192 829797014 /nfs/dbraw/zinc/79/70/14/829797014.db2.gz GTUYRNZDMKMEBU-NEPJUHHUSA-N 2 0 338.456 -0.034 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134611728 829803964 /nfs/dbraw/zinc/80/39/64/829803964.db2.gz AWTQRIYPBAHNHB-RYUDHWBXSA-N 2 0 341.456 -0.201 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001134756477 829839898 /nfs/dbraw/zinc/83/98/98/829839898.db2.gz FQVDKWQPYDSEOR-CVEARBPZSA-N 2 0 345.484 -0.019 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001134768839 829842431 /nfs/dbraw/zinc/84/24/31/829842431.db2.gz GRWHSFGXAYFMEM-NEPJUHHUSA-N 2 0 327.429 -0.462 20 0 EBADRP C[NH+]1CCC(CC(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)CC1 ZINC001134782493 829844680 /nfs/dbraw/zinc/84/46/80/829844680.db2.gz HWDYQMGABRKYII-OAHLLOKOSA-N 2 0 340.468 -0.423 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780399 829845070 /nfs/dbraw/zinc/84/50/70/829845070.db2.gz FEROTQKFBPOMDU-UHFFFAOYSA-N 2 0 348.513 -0.247 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135096073 829897832 /nfs/dbraw/zinc/89/78/32/829897832.db2.gz ZWCUEZQMPFQZFP-QWHCGFSZSA-N 2 0 339.440 -0.445 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135114626 829899450 /nfs/dbraw/zinc/89/94/50/829899450.db2.gz KOTBBQBPIRJERP-UHFFFAOYSA-N 2 0 338.456 -0.369 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001135378037 829956328 /nfs/dbraw/zinc/95/63/28/829956328.db2.gz HDCQHQOCWGPBNY-WDEREUQCSA-N 2 0 327.429 -0.604 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C1CC[NH+](C)CC1 ZINC001135389603 829960741 /nfs/dbraw/zinc/96/07/41/829960741.db2.gz BCUGBTOJUWJQFP-RYUDHWBXSA-N 2 0 338.456 -0.177 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001135477831 829974627 /nfs/dbraw/zinc/97/46/27/829974627.db2.gz QKZHLLRXYAQTLE-AWEZNQCLSA-N 2 0 343.472 -0.096 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001135513712 829979697 /nfs/dbraw/zinc/97/96/97/829979697.db2.gz VNPUDUPQLGNPPD-HUUCEWRRSA-N 2 0 331.457 -0.410 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135707004 830013873 /nfs/dbraw/zinc/01/38/73/830013873.db2.gz QOTFFLCWTSDOQK-UHFFFAOYSA-N 2 0 341.456 -0.340 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CCNC(=O)C1CC1)NC(=O)COCC[NH+](C)C ZINC001135923667 830047617 /nfs/dbraw/zinc/04/76/17/830047617.db2.gz MOFBJIAPJNTGNI-UONOGXRCSA-N 2 0 342.484 -0.036 20 0 EBADRP Cn1ccc(C[NH2+]CCNC(=O)COC2CC[NH+](C)CC2)cc1=O ZINC001135959106 830051854 /nfs/dbraw/zinc/05/18/54/830051854.db2.gz KRYPSICLYVLZKX-UHFFFAOYSA-N 2 0 336.436 -0.298 20 0 EBADRP CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135958573 830051964 /nfs/dbraw/zinc/05/19/64/830051964.db2.gz DBWWIJCAFYTQRA-UHFFFAOYSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC001135963327 830053459 /nfs/dbraw/zinc/05/34/59/830053459.db2.gz GQDJLZKQONBZNM-CQSZACIVSA-N 2 0 339.440 -0.939 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]CCCN2CCCC2=O)CC1 ZINC001135963386 830053520 /nfs/dbraw/zinc/05/35/20/830053520.db2.gz IPHADQCBTHEGEV-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001211286055 837421502 /nfs/dbraw/zinc/42/15/02/837421502.db2.gz SFZIXZPQYWDIMY-VXGBXAGGSA-N 2 0 327.429 -0.509 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211286431 837421868 /nfs/dbraw/zinc/42/18/68/837421868.db2.gz UIJFWTZTBQXWNS-AWEZNQCLSA-N 2 0 348.513 -0.154 20 0 EBADRP CN(CC(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1)C(N)=[NH2+] ZINC001144143588 830160659 /nfs/dbraw/zinc/16/06/59/830160659.db2.gz UEQZWUUNKWTYLI-UHFFFAOYSA-N 2 0 338.456 -0.595 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCCC1)[NH2+]CCN(C)S(C)(=O)=O ZINC001146338687 830193376 /nfs/dbraw/zinc/19/33/76/830193376.db2.gz GZDSWTVIBSHYCQ-KGLIPLIRSA-N 2 0 348.513 -0.154 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001211369614 837433361 /nfs/dbraw/zinc/43/33/61/837433361.db2.gz MNSYISVYSWSTHN-ZIAGYGMSSA-N 2 0 325.457 -0.212 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C(=O)Nc1ncccn1 ZINC001147848277 830421082 /nfs/dbraw/zinc/42/10/82/830421082.db2.gz JOUTXZVZUSYUCM-LBPRGKRZSA-N 2 0 338.412 -0.912 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147877584 830425349 /nfs/dbraw/zinc/42/53/49/830425349.db2.gz MFMRUTDBRTXJIG-RYUDHWBXSA-N 2 0 327.429 -0.732 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F ZINC001147886432 830425679 /nfs/dbraw/zinc/42/56/79/830425679.db2.gz WHQYDTCIIUJRDI-NSHDSACASA-N 2 0 345.362 -0.790 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001147900765 830428703 /nfs/dbraw/zinc/42/87/03/830428703.db2.gz VOYAUKKMUVGLBB-KBPBESRZSA-N 2 0 326.441 -0.813 20 0 EBADRP O=C(C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2)NCc1cccnc1 ZINC001147970245 830433024 /nfs/dbraw/zinc/43/30/24/830433024.db2.gz CZAVHNWOMDETFV-UHFFFAOYSA-N 2 0 331.420 -0.501 20 0 EBADRP O=C(NCC[NH2+]CC1CCS(=O)(=O)CC1)C12CC[NH+](CC1)C2 ZINC001147977383 830434296 /nfs/dbraw/zinc/43/42/96/830434296.db2.gz QPCTUQREKDALPZ-UHFFFAOYSA-N 2 0 329.466 -0.387 20 0 EBADRP Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)C34CC[NH+](CC3)C4)C2=O)n1 ZINC001147994590 830435001 /nfs/dbraw/zinc/43/50/01/830435001.db2.gz LGLPMIZZLMBBEJ-CYBMUJFWSA-N 2 0 346.435 -0.673 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001148051483 830444156 /nfs/dbraw/zinc/44/41/56/830444156.db2.gz KWZZPLMBKJULOO-UHFFFAOYSA-N 2 0 335.408 -0.674 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NCC[NH2+]CC(=O)Nc1cnccn1 ZINC001148051197 830444420 /nfs/dbraw/zinc/44/44/20/830444420.db2.gz BUBCSVQSLXWVHZ-UHFFFAOYSA-N 2 0 343.391 -0.104 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC2(C1)CC[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001148174438 830452740 /nfs/dbraw/zinc/45/27/40/830452740.db2.gz NUFRDMYSBDPPEE-ZDUSSCGKSA-N 2 0 336.436 -0.332 20 0 EBADRP C[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](C[C@H](O)Cn1cccn1)C2 ZINC001148221103 830458947 /nfs/dbraw/zinc/45/89/47/830458947.db2.gz QTIJCXZVADPQQJ-HNNXBMFYSA-N 2 0 335.452 -0.270 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001148577959 830511344 /nfs/dbraw/zinc/51/13/44/830511344.db2.gz LPVJCGYSGDZRFH-ZDUSSCGKSA-N 2 0 343.472 -0.983 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001148578468 830511737 /nfs/dbraw/zinc/51/17/37/830511737.db2.gz UKVGOOICGXDXNO-UHFFFAOYSA-N 2 0 327.429 -0.634 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]C[C@@H](O)CO[C@H](C)COC ZINC001148572669 830512172 /nfs/dbraw/zinc/51/21/72/830512172.db2.gz IRCUMEIKWNSFAW-HUUCEWRRSA-N 2 0 333.473 -0.164 20 0 EBADRP CNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148604448 830516198 /nfs/dbraw/zinc/51/61/98/830516198.db2.gz FQUYGOQUROIEER-CYBMUJFWSA-N 2 0 326.441 -0.767 20 0 EBADRP C[C@@H](C(=O)N(C)C)[N@@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148611579 830516887 /nfs/dbraw/zinc/51/68/87/830516887.db2.gz FDCJXGKCBVWIJJ-AWEZNQCLSA-N 2 0 340.468 -0.424 20 0 EBADRP CC[C@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148611849 830517519 /nfs/dbraw/zinc/51/75/19/830517519.db2.gz PULTXBBLCKLFNI-CYBMUJFWSA-N 2 0 326.441 -0.637 20 0 EBADRP CN1CC[C@@H]([N@@H+]2CCC3(CN(C(=O)COCC[NH+](C)C)C3)C2)C1=O ZINC001148611812 830518600 /nfs/dbraw/zinc/51/86/00/830518600.db2.gz OOBLKPGGHINIRU-CQSZACIVSA-N 2 0 338.452 -0.670 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F ZINC001148642701 830522373 /nfs/dbraw/zinc/52/23/73/830522373.db2.gz LPPUSIJMYPTXFR-NSHDSACASA-N 2 0 329.363 -0.026 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001148655846 830524696 /nfs/dbraw/zinc/52/46/96/830524696.db2.gz SSBPOYANURRULX-LSDHHAIUSA-N 2 0 331.457 -0.410 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001148754640 830536010 /nfs/dbraw/zinc/53/60/10/830536010.db2.gz FZWRQEUQMHPXSA-LBPRGKRZSA-N 2 0 337.424 -0.800 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC2(C1)CC[NH+]([C@@H](C)C(=O)NC(N)=O)C2 ZINC001148843848 830547031 /nfs/dbraw/zinc/54/70/31/830547031.db2.gz HYODQXWNRUQLSI-LBPRGKRZSA-N 2 0 339.440 -0.556 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NC[C@H]1C[N@H+](CCOCCO)CCCO1)C1CC1 ZINC001149842097 830761111 /nfs/dbraw/zinc/76/11/11/830761111.db2.gz OBKHSQACNHHVQE-JKSUJKDBSA-N 2 0 343.468 -0.457 20 0 EBADRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCOCCO)CCCO1)[NH+](C)C ZINC001149886590 830776069 /nfs/dbraw/zinc/77/60/69/830776069.db2.gz AWTHNWNZWDLMAG-HUUCEWRRSA-N 2 0 331.457 -0.457 20 0 EBADRP CC[C@H](C(=O)NC[C@H]1C[N@H+](CCn2cncn2)CCCO1)[NH+](C)C ZINC001149888014 830776089 /nfs/dbraw/zinc/77/60/89/830776089.db2.gz IWQKZIIVAQXILG-LSDHHAIUSA-N 2 0 338.456 -0.175 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@H]1C[N@H+](CCOCCO)CCCO1)[NH+](C)C ZINC001150292279 830858954 /nfs/dbraw/zinc/85/89/54/830858954.db2.gz QSLOTFJNEIWJBL-JKSUJKDBSA-N 2 0 345.484 -0.211 20 0 EBADRP CC[C@@H](C(=O)NC[C@H]1C[N@H+](C[C@H](O)COC)CCCO1)[NH+](C)C ZINC001150350777 830871511 /nfs/dbraw/zinc/87/15/11/830871511.db2.gz OHPCEENIWBOSNC-KKUMJFAQSA-N 2 0 331.457 -0.459 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@H]1C[N@H+](C[C@@H](O)COC)CCCO1 ZINC001150478825 830912916 /nfs/dbraw/zinc/91/29/16/830912916.db2.gz AFSNSXBLINOANS-CABCVRRESA-N 2 0 331.457 -0.457 20 0 EBADRP C[C@@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001150508050 830919420 /nfs/dbraw/zinc/91/94/20/830919420.db2.gz NJYJVKJUFIIZRY-ZBFHGGJFSA-N 2 0 343.468 -0.315 20 0 EBADRP CCC[N@H+](C)CCC(=O)NC[C@H]1C[NH+](C[C@H](O)COC)CCCO1 ZINC001150625060 830947901 /nfs/dbraw/zinc/94/79/01/830947901.db2.gz IEEZYEVIBHEUME-HOTGVXAUSA-N 2 0 345.484 -0.067 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150714272 830968532 /nfs/dbraw/zinc/96/85/32/830968532.db2.gz CFLKYGZAIFLITC-HUUCEWRRSA-N 2 0 329.441 -0.703 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2ccccc2C(N)=O)C1 ZINC001151049529 831016189 /nfs/dbraw/zinc/01/61/89/831016189.db2.gz RHPFBFJGWDFUSN-GFCCVEGCSA-N 2 0 347.419 -0.619 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)Nc2ccccc2C(N)=O)C1 ZINC001151049530 831017076 /nfs/dbraw/zinc/01/70/76/831017076.db2.gz RHPFBFJGWDFUSN-LBPRGKRZSA-N 2 0 347.419 -0.619 20 0 EBADRP CC(C)CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151074081 831022742 /nfs/dbraw/zinc/02/27/42/831022742.db2.gz VARAWUTXLRRSQO-HNNXBMFYSA-N 2 0 342.484 -0.177 20 0 EBADRP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151156473 831034700 /nfs/dbraw/zinc/03/47/00/831034700.db2.gz DFPIVDHMZBQHGT-ZIAGYGMSSA-N 2 0 328.457 -0.425 20 0 EBADRP CC(C)NC(=O)NCC[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151157498 831035450 /nfs/dbraw/zinc/03/54/50/831035450.db2.gz MALUCTVYAGYMQV-CQSZACIVSA-N 2 0 343.472 -0.632 20 0 EBADRP COc1nccc(C[NH2+]CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)n1 ZINC001151159862 831036293 /nfs/dbraw/zinc/03/62/93/831036293.db2.gz UTEOWHGMLYGGOY-ZDUSSCGKSA-N 2 0 337.424 -0.341 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCC[NH+]1CCCCC1 ZINC001151361647 831060883 /nfs/dbraw/zinc/06/08/83/831060883.db2.gz LMHBGVZUROXASM-ZDUSSCGKSA-N 2 0 341.456 -0.198 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001152148467 831134348 /nfs/dbraw/zinc/13/43/48/831134348.db2.gz QDMDJXZQUNOAMZ-OKILXGFUSA-N 2 0 348.513 -0.106 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]CC(=O)Nc1cnccn1 ZINC001152136927 831134466 /nfs/dbraw/zinc/13/44/66/831134466.db2.gz ISGPZZSYKLECFQ-STQMWFEESA-N 2 0 334.424 -0.006 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152223995 831143859 /nfs/dbraw/zinc/14/38/59/831143859.db2.gz QBPREMHBKQHMHO-UHFFFAOYSA-N 2 0 327.429 -0.586 20 0 EBADRP O=C(CC[NH+]1CCCCC1)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001152340307 831154084 /nfs/dbraw/zinc/15/40/84/831154084.db2.gz LDPLGAQNSVRXBJ-OAHLLOKOSA-N 2 0 340.468 -0.137 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152348939 831154516 /nfs/dbraw/zinc/15/45/16/831154516.db2.gz SYNFBWZEQANKNC-LBPRGKRZSA-N 2 0 327.429 -0.588 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N1CCOC[C@H]1C1CC1 ZINC001152427355 831161952 /nfs/dbraw/zinc/16/19/52/831161952.db2.gz WTKFDMOZLDJKQU-HNNXBMFYSA-N 2 0 340.468 -0.330 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCCCOC ZINC001152451959 831164107 /nfs/dbraw/zinc/16/41/07/831164107.db2.gz NSWMKSFVTNFVPB-CQSZACIVSA-N 2 0 328.457 -0.281 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001152452060 831164312 /nfs/dbraw/zinc/16/43/12/831164312.db2.gz RKWWTYVBFFRSDN-CYBMUJFWSA-N 2 0 334.486 -0.542 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001152445898 831164324 /nfs/dbraw/zinc/16/43/24/831164324.db2.gz QRQZVMPOQMVFEI-GJZGRUSLSA-N 2 0 331.457 -0.411 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001152459027 831165688 /nfs/dbraw/zinc/16/56/88/831165688.db2.gz WZZRYAKQEGRSAF-CABCVRRESA-N 2 0 340.468 -0.281 20 0 EBADRP CC(C)[C@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)[NH+]1CCCC1 ZINC001152464508 831165706 /nfs/dbraw/zinc/16/57/06/831165706.db2.gz RYVKOUDVJLXOBE-CQSZACIVSA-N 2 0 339.440 -0.636 20 0 EBADRP CC(C)[C@H](C(=O)NCC[NH2+]CCN1C(=O)CCC1=O)[NH+]1CCCC1 ZINC001152471292 831165730 /nfs/dbraw/zinc/16/57/30/831165730.db2.gz KPHNFORNXJVJAG-MRXNPFEDSA-N 2 0 338.452 -0.038 20 0 EBADRP CC[N@H+](C[C@H](O)COCCOC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001154639671 831355929 /nfs/dbraw/zinc/35/59/29/831355929.db2.gz PAIMAWQWWNUDHM-OWCLPIDISA-N 2 0 345.484 -0.069 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(c3cc4c(nn3)CC[NH2+]C4)C[C@H]1C2 ZINC001154632109 831355998 /nfs/dbraw/zinc/35/59/98/831355998.db2.gz ANWNCTXYQSKJOK-NPSOMJIGSA-N 2 0 343.431 -0.043 20 0 EBADRP CC[N@H+](C[C@H](O)COC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001154836552 831366415 /nfs/dbraw/zinc/36/64/15/831366415.db2.gz DWEWMUUZMVMUIH-PMPSAXMXSA-N 2 0 345.484 -0.071 20 0 EBADRP COC(=O)[C@H]([NH3+])C1CCN(c2cncc(N3CC[NH2+]CC3)n2)CC1 ZINC001155154329 831388534 /nfs/dbraw/zinc/38/85/34/831388534.db2.gz UZYQINGUEMCHSD-OAHLLOKOSA-N 2 0 334.424 -0.397 20 0 EBADRP O=C(c1cccnc1N[C@@H]1COCCC12C[NH2+]C2)N1CC[NH2+]CC1 ZINC001155470753 831407829 /nfs/dbraw/zinc/40/78/29/831407829.db2.gz WJAUZNPNPRIMSG-CQSZACIVSA-N 2 0 331.420 -0.083 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001155814503 831433452 /nfs/dbraw/zinc/43/34/52/831433452.db2.gz YOOFRPBKPUBJHJ-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP CC[N@H+](CCOCCNC(C)=O)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156890692 831513177 /nfs/dbraw/zinc/51/31/77/831513177.db2.gz SBEAHCQZWYGIFN-ZBFHGGJFSA-N 2 0 342.484 -0.083 20 0 EBADRP CC[N@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001156907400 831514027 /nfs/dbraw/zinc/51/40/27/831514027.db2.gz BISBBSBGUJFRCQ-BZUAXINKSA-N 2 0 345.484 -0.211 20 0 EBADRP CC[N@H+](C[C@H](O)COC)[C@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001156907404 831514430 /nfs/dbraw/zinc/51/44/30/831514430.db2.gz BISBBSBGUJFRCQ-XHSDSOJGSA-N 2 0 345.484 -0.211 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001157323853 831553856 /nfs/dbraw/zinc/55/38/56/831553856.db2.gz PZCDSFBFHGBRPZ-ZNMIVQPWSA-N 2 0 339.484 -0.580 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001157323852 831553899 /nfs/dbraw/zinc/55/38/99/831553899.db2.gz PZCDSFBFHGBRPZ-KKUMJFAQSA-N 2 0 339.484 -0.580 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001157323030 831554071 /nfs/dbraw/zinc/55/40/71/831554071.db2.gz JPACDROCFREPNV-JKIFEVAISA-N 2 0 340.468 -0.105 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1cccnc1O[C@@H]1CC[NH2+]C1 ZINC001157351911 831556858 /nfs/dbraw/zinc/55/68/58/831556858.db2.gz IDSILZWNHNKXQU-OCCSQVGLSA-N 2 0 349.435 -0.204 20 0 EBADRP C[C@]1(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)CC[NH2+]C[C@@H]1O ZINC001157370786 831562008 /nfs/dbraw/zinc/56/20/08/831562008.db2.gz GXSWTBIFJYLUHP-ZQIUZPCESA-N 2 0 340.468 -0.417 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCCNC(=O)C(F)(F)Br ZINC001157436152 831566450 /nfs/dbraw/zinc/56/64/50/831566450.db2.gz ZRMLYYXUQNMTKJ-ZCFIWIBFSA-N 2 0 331.161 -0.727 20 0 EBADRP [NH3+]CCC[NH2+]CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC001157629906 831582902 /nfs/dbraw/zinc/58/29/02/831582902.db2.gz XXKPNHTVNJJNIW-UHFFFAOYSA-N 2 0 334.420 -0.002 20 0 EBADRP C[C@H]1[C@H]([NH3+])CCCN1c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001157732125 831588540 /nfs/dbraw/zinc/58/85/40/831588540.db2.gz IAYKXBMTAKLUMF-CMPLNLGQSA-N 2 0 339.465 -0.116 20 0 EBADRP C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1 ZINC001157843471 831597563 /nfs/dbraw/zinc/59/75/63/831597563.db2.gz RFDVYUVPVHJCDC-MJBXVCDLSA-N 2 0 348.451 -0.100 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157966991 831614988 /nfs/dbraw/zinc/61/49/88/831614988.db2.gz BBFPGNUJBRZDNI-CQSZACIVSA-N 2 0 340.449 -0.620 20 0 EBADRP [NH3+][C@H]1CCc2nn(-c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)cc2C1 ZINC001157985512 831615670 /nfs/dbraw/zinc/61/56/70/831615670.db2.gz UZARWCPPZDGLLY-LBPRGKRZSA-N 2 0 341.419 -0.082 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158036258 831621965 /nfs/dbraw/zinc/62/19/65/831621965.db2.gz BBFPVTTVRCWODY-ZIAGYGMSSA-N 2 0 346.497 -0.494 20 0 EBADRP O=C(c1cccc(O[C@@H]2CC[NH2+]C2)c1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158112665 831629947 /nfs/dbraw/zinc/62/99/47/831629947.db2.gz ZYNXCMTXGIWXHH-CRAIPNDOSA-N 2 0 344.415 -0.269 20 0 EBADRP O=C([C@H]1CC2(CO1)CC[NH2+]CC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120375 831630702 /nfs/dbraw/zinc/63/07/02/831630702.db2.gz LKSDXJTUQVSFOF-FZKQIMNGSA-N 2 0 348.447 -0.917 20 0 EBADRP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158166784 831633748 /nfs/dbraw/zinc/63/37/48/831633748.db2.gz DFPQCDRUFXBFHG-OWCLPIDISA-N 2 0 347.415 -0.106 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158197192 831638952 /nfs/dbraw/zinc/63/89/52/831638952.db2.gz SGWLPUNYDQGYTK-MRXNPFEDSA-N 2 0 340.468 -0.423 20 0 EBADRP O=C(C1=NO[C@]2(CC[NH2+]C2)C1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158262654 831641760 /nfs/dbraw/zinc/64/17/60/831641760.db2.gz USPBLSDEXDKRRF-MRXNPFEDSA-N 2 0 345.407 -0.793 20 0 EBADRP O=C([C@H]1NC(=O)CC12C[NH2+]C2)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158327501 831647311 /nfs/dbraw/zinc/64/73/11/831647311.db2.gz JZIZTELCRUGGEF-SQWLQELKSA-N 2 0 326.400 -0.438 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CCOCCNC(C)=O)CC[N@@H+]1C ZINC001158403245 831651146 /nfs/dbraw/zinc/65/11/46/831651146.db2.gz BVQOHTXTHBEOHW-JKSUJKDBSA-N 2 0 342.484 -0.035 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001158403860 831651275 /nfs/dbraw/zinc/65/12/75/831651275.db2.gz KCCRIWDHDOALLC-LSDHHAIUSA-N 2 0 342.484 -0.035 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CCNS(=O)(=O)CC)CC[N@@H+]1C ZINC001158413390 831652542 /nfs/dbraw/zinc/65/25/42/831652542.db2.gz ZRLOJDJEXRCGNS-UONOGXRCSA-N 2 0 348.513 -0.248 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158421310 831653853 /nfs/dbraw/zinc/65/38/53/831653853.db2.gz UFQXPJGTRLMXKP-YNEHKIRRSA-N 2 0 341.456 -0.343 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158428882 831654866 /nfs/dbraw/zinc/65/48/66/831654866.db2.gz XWQLRQGXBPTBIM-ZIAGYGMSSA-N 2 0 348.513 -0.248 20 0 EBADRP CCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158486286 831659048 /nfs/dbraw/zinc/65/90/48/831659048.db2.gz JASHCGFHMJCSJW-UONOGXRCSA-N 2 0 326.441 -0.528 20 0 EBADRP O=C(NCCC[NH2+]Cc1nnnn1C1CC1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158487282 831659888 /nfs/dbraw/zinc/65/98/88/831659888.db2.gz XPGCVXZIWNDIKL-UONOGXRCSA-N 2 0 349.439 -0.533 20 0 EBADRP COc1nccc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001158486663 831659982 /nfs/dbraw/zinc/65/99/82/831659982.db2.gz QLLDWMVESXXLDT-GJZGRUSLSA-N 2 0 349.435 -0.056 20 0 EBADRP CC(C)(C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158486897 831660249 /nfs/dbraw/zinc/66/02/49/831660249.db2.gz UIIJXSNBIGMASS-ZIAGYGMSSA-N 2 0 340.468 -0.140 20 0 EBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158544367 831663812 /nfs/dbraw/zinc/66/38/12/831663812.db2.gz DTHNZRIWQKUIQK-UOZBHZCFSA-N 2 0 338.452 -0.545 20 0 EBADRP O=C([C@H]1C[NH2+]Cc2ccnn2C1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158534837 831664126 /nfs/dbraw/zinc/66/41/26/831664126.db2.gz UPUJKCJKEGSTOH-YOKBYHGQSA-N 2 0 331.420 -0.418 20 0 EBADRP [NH3+][C@H]1CCCCN(CC(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)C1=O ZINC001158547819 831664363 /nfs/dbraw/zinc/66/43/63/831664363.db2.gz PIVFGMGFTJOFCG-VWPFQQQWSA-N 2 0 336.436 -0.694 20 0 EBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158576254 831667062 /nfs/dbraw/zinc/66/70/62/831667062.db2.gz AVBGNSPNVBSVPI-WOPDTQHZSA-N 2 0 332.445 -0.324 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(c1ncnc3c1CC[NH2+]CC3)CC2 ZINC001158636399 831671874 /nfs/dbraw/zinc/67/18/74/831671874.db2.gz KYYKIEMYENCLLD-YOEHRIQHSA-N 2 0 331.420 -0.104 20 0 EBADRP [NH3+]C[C@H](O)CC(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158659640 831676522 /nfs/dbraw/zinc/67/65/22/831676522.db2.gz PXDSLUDBNOYDHF-SNVBAGLBSA-N 2 0 332.364 -0.647 20 0 EBADRP O=C([C@H]1C[NH2+]C[C@@H]1O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158658468 831676726 /nfs/dbraw/zinc/67/67/26/831676726.db2.gz JXLOEHVMEGYFDW-AAEUAGOBSA-N 2 0 344.375 -0.776 20 0 EBADRP C[C@]1(C(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)CC[NH2+]C1 ZINC001158734978 831681920 /nfs/dbraw/zinc/68/19/20/831681920.db2.gz IWHUBOKTGJZSET-AWEZNQCLSA-N 2 0 342.421 -0.392 20 0 EBADRP O=C([C@@H]1C[NH2+]CCN1)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158903244 831694822 /nfs/dbraw/zinc/69/48/22/831694822.db2.gz MWUBIFAMDJWUAM-IFIJOSMWSA-N 2 0 349.410 -0.364 20 0 EBADRP N[C@]1(C(=O)N(c2ncccc2F)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)CC[NH2+]C1 ZINC001158905086 831694831 /nfs/dbraw/zinc/69/48/31/831694831.db2.gz WCDRUPOAJPEURP-AFAVFJNCSA-N 2 0 349.410 -0.235 20 0 EBADRP COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@@H](C)C[NH3+] ZINC001159078560 831706515 /nfs/dbraw/zinc/70/65/15/831706515.db2.gz XMZZZPCTSPCEFG-XEZPLFJOSA-N 2 0 327.425 -0.164 20 0 EBADRP Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)cn1 ZINC001159085901 831707383 /nfs/dbraw/zinc/70/73/83/831707383.db2.gz ZJKOLJOSLQMQQO-LZWOXQAQSA-N 2 0 346.435 -0.547 20 0 EBADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001159132994 831710859 /nfs/dbraw/zinc/71/08/59/831710859.db2.gz GLLVKMMZDMRUCT-HDMKZQKVSA-N 3 0 346.479 -0.398 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001159148465 831711084 /nfs/dbraw/zinc/71/10/84/831711084.db2.gz GTQZJMQLTWALRP-LBPRGKRZSA-N 2 0 340.465 -0.689 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001159334691 831741659 /nfs/dbraw/zinc/74/16/59/831741659.db2.gz FMLPFVFGILZSSJ-CYBMUJFWSA-N 2 0 339.440 -0.492 20 0 EBADRP Nc1ncn(C2=CCC[NH2+]C2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001159395929 831748760 /nfs/dbraw/zinc/74/87/60/831748760.db2.gz HNKVZPFWLFZVQL-JQWIXIFHSA-N 2 0 338.843 -0.176 20 0 EBADRP Nc1ncn(C2=CC[NH2+]CC2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001159397729 831748891 /nfs/dbraw/zinc/74/88/91/831748891.db2.gz SQRIHLZKOPRCPV-JQWIXIFHSA-N 2 0 338.843 -0.176 20 0 EBADRP O=C([C@H]1C[NH2+]C[C@H]1O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159402678 831749885 /nfs/dbraw/zinc/74/98/85/831749885.db2.gz IYNJNNRSNFBVMN-BTFPBAQTSA-N 2 0 347.419 -0.986 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159403205 831750349 /nfs/dbraw/zinc/75/03/49/831750349.db2.gz NIKGLOGMRQGLFJ-BYNSBNAKSA-N 3 0 348.451 -0.500 20 0 EBADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1O)C2 ZINC001159482082 831755459 /nfs/dbraw/zinc/75/54/59/831755459.db2.gz YINMJTSBAJFDPM-MUQADHOPSA-N 2 0 337.464 -0.226 20 0 EBADRP [NH3+][C@@H]1CN[C@H](C(=O)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)C1 ZINC001159667149 831771545 /nfs/dbraw/zinc/77/15/45/831771545.db2.gz SZFASHQSZVCQPC-HZMVEIRTSA-N 2 0 345.447 -0.428 20 0 EBADRP C[NH+](C)C1(C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCOC2)CCC1 ZINC001159861277 831788421 /nfs/dbraw/zinc/78/84/21/831788421.db2.gz KWSBMVORYZFYIX-CQSZACIVSA-N 2 0 340.468 -0.281 20 0 EBADRP C[NH+](C)C1(C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCCO2)CCC1 ZINC001159854710 831788482 /nfs/dbraw/zinc/78/84/82/831788482.db2.gz REFDAFUGHLGQJL-CQSZACIVSA-N 2 0 340.468 -0.138 20 0 EBADRP CC[C@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)C(N)=O ZINC001159868737 831789747 /nfs/dbraw/zinc/78/97/47/831789747.db2.gz KULPQIIYOOBFTL-LSDHHAIUSA-N 2 0 340.468 -0.010 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCOCC1)C1CC1 ZINC001159915575 831797180 /nfs/dbraw/zinc/79/71/80/831797180.db2.gz KYJYEIYMDLCACF-OAHLLOKOSA-N 2 0 326.441 -0.719 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC001159932840 831799092 /nfs/dbraw/zinc/79/90/92/831799092.db2.gz WFERAXMZWKLOBD-GXTWGEPZSA-N 2 0 331.482 -0.143 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159931500 831799724 /nfs/dbraw/zinc/79/97/24/831799724.db2.gz DZVLNXDSRUZTNR-ZFWWWQNUSA-N 2 0 342.484 -0.036 20 0 EBADRP C[N@H+](CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1)C1CCC1 ZINC001160003489 831804107 /nfs/dbraw/zinc/80/41/07/831804107.db2.gz QKYAOGLGAJXLIX-AWEZNQCLSA-N 2 0 340.468 -0.281 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159997650 831805114 /nfs/dbraw/zinc/80/51/14/831805114.db2.gz WQIUYABWYYPZEP-UHFFFAOYSA-N 2 0 327.429 -0.588 20 0 EBADRP CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)[C@H]([NH3+])CCC[NH3+])[C@@H]2C1 ZINC001160294578 831833972 /nfs/dbraw/zinc/83/39/72/831833972.db2.gz DAPLHDSDNZLEKA-REWJHTLYSA-N 2 0 326.441 -0.417 20 0 EBADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)[C@@H](N)CC[NH3+])CC1 ZINC001160387735 831842289 /nfs/dbraw/zinc/84/22/89/831842289.db2.gz BXZUMNYHMIGKGK-ZDUSSCGKSA-N 2 0 325.457 -0.792 20 0 EBADRP [NH3+]C[C@@H](O)CC(=O)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001160406047 831844543 /nfs/dbraw/zinc/84/45/43/831844543.db2.gz OAGZCFQVKDVRLG-LBPRGKRZSA-N 2 0 345.407 -0.591 20 0 EBADRP CCOC(=O)C1=C(O)CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001160428027 831848070 /nfs/dbraw/zinc/84/80/70/831848070.db2.gz OZKCOSSPAYXXGN-GXTWGEPZSA-N 2 0 325.409 -0.316 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160426518 831848077 /nfs/dbraw/zinc/84/80/77/831848077.db2.gz GRGFTFLDLJDTIR-HNNXBMFYSA-N 2 0 330.473 -0.179 20 0 EBADRP CCOC(=O)C1=C(O)CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001160427217 831848320 /nfs/dbraw/zinc/84/83/20/831848320.db2.gz KJTKFQHDHDIZAQ-PBFPGSCMSA-N 2 0 337.420 -0.444 20 0 EBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCN(CCc2ccncc2)CC1 ZINC001160489829 831856212 /nfs/dbraw/zinc/85/62/12/831856212.db2.gz GDIDRWAJVVTPLG-INIZCTEOSA-N 2 0 329.448 -0.423 20 0 EBADRP COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160494949 831857132 /nfs/dbraw/zinc/85/71/32/831857132.db2.gz VWICYHBPWUYLGV-QXEWZRGKSA-N 2 0 333.410 -0.941 20 0 EBADRP Cc1cc2n(n1)c(=O)cc(C)n2C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160565764 831864149 /nfs/dbraw/zinc/86/41/49/831864149.db2.gz VGBZNMQKUBKTJL-ZDUSSCGKSA-N 2 0 332.408 -0.497 20 0 EBADRP [NH3+]CCCNCC(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160588725 831867822 /nfs/dbraw/zinc/86/78/22/831867822.db2.gz FXNPBHLYIWFLRN-UHFFFAOYSA-N 2 0 331.420 -0.219 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001160627810 831871944 /nfs/dbraw/zinc/87/19/44/831871944.db2.gz HCTXUZXZKSFJNX-RCDICMHDSA-N 2 0 334.530 -0.186 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001160627809 831872378 /nfs/dbraw/zinc/87/23/78/831872378.db2.gz HCTXUZXZKSFJNX-FPTDNZKUSA-N 2 0 334.530 -0.186 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]([NH3+])Cc2cn(C=O)c3ccccc23)CCO1 ZINC001160644472 831875181 /nfs/dbraw/zinc/87/51/81/831875181.db2.gz ZQCPDMQNKKIKFH-DZGCQCFKSA-N 2 0 330.388 -0.265 20 0 EBADRP [NH3+][C@@H]1CCN(C(=O)c2ccc3c(c2)[C@@H]2C[NH2+]C[C@@H]2NC3=O)C[C@@H]1F ZINC001160649401 831876149 /nfs/dbraw/zinc/87/61/49/831876149.db2.gz KCVWSOJWZPKRBR-XQLPTFJDSA-N 2 0 332.379 -0.003 20 0 EBADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001160696622 831878824 /nfs/dbraw/zinc/87/88/24/831878824.db2.gz XWMFWGKDQLRAIK-CHWSQXEVSA-N 2 0 333.440 -0.618 20 0 EBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N(C)C[C@@H]2CCC[NH2+]C2)COC1(C)C ZINC001160698550 831879082 /nfs/dbraw/zinc/87/90/82/831879082.db2.gz LZVWOQXRIHTWLG-XQQFMLRXSA-N 2 0 326.441 -0.245 20 0 EBADRP CCOC(=O)[C@@H]1c2nc[nH]c2CCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160789058 831886602 /nfs/dbraw/zinc/88/66/02/831886602.db2.gz VOBDUKRPJIHOMI-GWCFXTLKSA-N 2 0 333.392 -0.792 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)C[C@H]1C2 ZINC001160791834 831887792 /nfs/dbraw/zinc/88/77/92/831887792.db2.gz FBKDTJZAWZUWRL-ZRGCGHPPSA-N 2 0 349.431 -0.921 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]([NH3+])Cc3cncn3C)C[C@H]1C[NH2+]CC2 ZINC001160805976 831889482 /nfs/dbraw/zinc/88/94/82/831889482.db2.gz IYQRALKDKBSCKC-HACGYAERSA-N 2 0 349.435 -0.709 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)C[C@@H]3COCC[NH2+]3)C[C@H]1C[NH2+]CC2 ZINC001160811916 831890343 /nfs/dbraw/zinc/89/03/43/831890343.db2.gz ABWNMJDSOZMZPW-XJKCOSOUSA-N 2 0 325.409 -0.634 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C[C@H]1C[NH2+]CC2 ZINC001160813126 831890599 /nfs/dbraw/zinc/89/05/99/831890599.db2.gz VCJOTNGVLSYOND-LYLVIIEMSA-N 2 0 345.465 -0.917 20 0 EBADRP CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001160825043 831892200 /nfs/dbraw/zinc/89/22/00/831892200.db2.gz RZKPCLXXWRLLFU-OCCSQVGLSA-N 2 0 335.408 -0.275 20 0 EBADRP COC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)CCN1C ZINC001160870670 831902063 /nfs/dbraw/zinc/90/20/63/831902063.db2.gz ITLIUAFINSTVNZ-KBPBESRZSA-N 2 0 328.457 -0.202 20 0 EBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(CC1)OC(=O)c1ncccc12 ZINC001160880326 831902870 /nfs/dbraw/zinc/90/28/70/831902870.db2.gz XXVRDHLFGHUAOY-ZDUSSCGKSA-N 2 0 342.399 -0.121 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001160951955 831909347 /nfs/dbraw/zinc/90/93/47/831909347.db2.gz SRVFMDWXFAYEFV-CYBMUJFWSA-N 2 0 326.441 -0.671 20 0 EBADRP [NH3+][C@H]1CN(C(=O)c2cnc(N3CC[NH2+]CC3)cn2)CC(F)(F)C1 ZINC001160970638 831911939 /nfs/dbraw/zinc/91/19/39/831911939.db2.gz ABPNJJNQWZHOCY-SNVBAGLBSA-N 2 0 326.351 -0.305 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160971067 831911989 /nfs/dbraw/zinc/91/19/89/831911989.db2.gz DORIKIQRCQDHFN-STQMWFEESA-N 2 0 340.374 -0.133 20 0 EBADRP O=C(c1cccnc1N1CC[NH2+]CC1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161008531 831913745 /nfs/dbraw/zinc/91/37/45/831913745.db2.gz PPPGACYHQHSGAU-OAHLLOKOSA-N 2 0 345.447 -0.180 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001161041803 831915976 /nfs/dbraw/zinc/91/59/76/831915976.db2.gz MAZDROWPVFLSCV-CABCVRRESA-N 2 0 340.468 -0.138 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161052192 831918679 /nfs/dbraw/zinc/91/86/79/831918679.db2.gz IUQALLBLWZCHEO-CYBMUJFWSA-N 2 0 334.486 -0.494 20 0 EBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001161159141 831933863 /nfs/dbraw/zinc/93/38/63/831933863.db2.gz VRRGTZGTRZGQEQ-LSDHHAIUSA-N 2 0 340.468 -0.057 20 0 EBADRP [NH3+][C@H](CO)CC(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198270 831937601 /nfs/dbraw/zinc/93/76/01/831937601.db2.gz OWWIJHZFBNJZMF-INIZCTEOSA-N 2 0 342.484 -0.753 20 0 EBADRP [NH3+]C[C@]1(F)CCN(C(=O)c2ccc3c(c2)[C@H]2C[NH2+]C[C@@H]2NC3=O)C1 ZINC001161245347 831940948 /nfs/dbraw/zinc/94/09/48/831940948.db2.gz CRDRJFJDWAPXSE-JKIFEVAISA-N 2 0 332.379 -0.002 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC[C@H](Oc2ncccn2)C1 ZINC001161296680 831944394 /nfs/dbraw/zinc/94/43/94/831944394.db2.gz OQXWGPFPKDIBKQ-GJZGRUSLSA-N 2 0 348.451 -0.403 20 0 EBADRP Cc1cccc(N(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)C2CC[NH2+]CC2)n1 ZINC001161304043 831946379 /nfs/dbraw/zinc/94/63/79/831946379.db2.gz TVQDKOTWFBEKDE-HNNXBMFYSA-N 2 0 345.447 -0.195 20 0 EBADRP CCN(C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)[NH3+])[C@H]1CCC[NH2+]C1 ZINC001161341497 831949851 /nfs/dbraw/zinc/94/98/51/831949851.db2.gz VQFROBRUORWFRJ-AVGNSLFASA-N 2 0 326.441 -0.102 20 0 EBADRP COc1ccnc(OC2CCN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)CC2)n1 ZINC001161367775 831950456 /nfs/dbraw/zinc/95/04/56/831950456.db2.gz TUBFIZUVKJKBHU-ZDUSSCGKSA-N 2 0 347.419 -0.336 20 0 EBADRP [NH3+]C1CCN([C@H]2CCN(C(=O)CN3CCCC[C@H]([NH3+])C3=O)C2)CC1 ZINC001161377966 831951404 /nfs/dbraw/zinc/95/14/04/831951404.db2.gz JRKTVGKRRQAWMG-GJZGRUSLSA-N 2 0 337.468 -0.650 20 0 EBADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412284 831955086 /nfs/dbraw/zinc/95/50/86/831955086.db2.gz IQPGTHOPMKLISN-JJXSEGSLSA-N 2 0 330.432 -0.132 20 0 EBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C[C@H]12 ZINC001161413336 831955988 /nfs/dbraw/zinc/95/59/88/831955988.db2.gz PGPQIOIHQQIULD-ZOBORPQBSA-N 2 0 341.477 -0.404 20 0 EBADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1C[C@@H]2[C@H]([NH3+])CC[C@@H]2C1 ZINC001161413550 831956076 /nfs/dbraw/zinc/95/60/76/831956076.db2.gz QKXWCZANXLGPIR-RQJABVFESA-N 2 0 346.435 -0.490 20 0 EBADRP O=C(c1cccc(S(=O)(=O)NC2CC[NH2+]CC2)c1)N1CC[NH2+]C1 ZINC001161418863 831956102 /nfs/dbraw/zinc/95/61/02/831956102.db2.gz SVUQKZFFPLIKBJ-UHFFFAOYSA-N 2 0 338.433 -0.280 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])C1CCOCC1)CC2 ZINC001161476567 831962499 /nfs/dbraw/zinc/96/24/99/831962499.db2.gz DNQHOCFQQXHASV-XEZPLFJOSA-N 2 0 325.409 -0.506 20 0 EBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@]2(C(=O)OC)CC[NH2+][C@H]2C1 ZINC001161476791 831962529 /nfs/dbraw/zinc/96/25/29/831962529.db2.gz DPJLADLOEHAMHV-ZIBATOQPSA-N 2 0 327.381 -0.980 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)c1noc3c1C[NH2+]CC3)CC2 ZINC001161481534 831964242 /nfs/dbraw/zinc/96/42/42/831964242.db2.gz DRZKHXZCFGOREA-MLGOLLRUSA-N 2 0 334.376 -0.313 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001161529472 831970150 /nfs/dbraw/zinc/97/01/50/831970150.db2.gz DPEZIIFHGYZNPG-RFGFWPKPSA-N 2 0 325.457 -0.618 20 0 EBADRP COC(=O)c1cnc2c(c1)CN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001161572817 831973657 /nfs/dbraw/zinc/97/36/57/831973657.db2.gz ZGKXBYYYTGVNGG-ZDUSSCGKSA-N 2 0 330.388 -0.438 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC2=CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)C1 ZINC001161863882 831998564 /nfs/dbraw/zinc/99/85/64/831998564.db2.gz WKDLFEDNCAOZTD-CABCVRRESA-N 2 0 348.447 -0.118 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001161872362 831998970 /nfs/dbraw/zinc/99/89/70/831998970.db2.gz CUUXNWCNQYKHPQ-NSHDSACASA-N 2 0 346.391 -0.112 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])c1cccc2c1NC(=O)C21CC[NH2+]CC1 ZINC001162131295 832021075 /nfs/dbraw/zinc/02/10/75/832021075.db2.gz RRJOFPAMMNDYTO-UHFFFAOYSA-N 2 0 338.433 -0.015 20 0 EBADRP COC(=O)[C@@H](C[NH3+])Cc1ccc(N(CC[NH3+])S(C)(=O)=O)cc1 ZINC001162131491 832021121 /nfs/dbraw/zinc/02/11/21/832021121.db2.gz WGUPWLWWPSRJFG-GFCCVEGCSA-N 2 0 329.422 -0.298 20 0 EBADRP COCC1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001162170645 832023387 /nfs/dbraw/zinc/02/33/87/832023387.db2.gz CDVMUIMUDHBNMN-KBPBESRZSA-N 2 0 340.468 -0.201 20 0 EBADRP CNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)(COC)CC1 ZINC001162604506 832055090 /nfs/dbraw/zinc/05/50/90/832055090.db2.gz WCAXHPJPDCIKMP-CQSZACIVSA-N 2 0 340.468 -0.471 20 0 EBADRP c1nc(O[C@@H]2CC[NH2+]C2)ncc1NCc1nnn2c1C[NH2+]CCC2 ZINC001162972222 832073184 /nfs/dbraw/zinc/07/31/84/832073184.db2.gz RVNLIVSCJOFCMU-GFCCVEGCSA-N 2 0 330.396 -0.086 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001163232686 832091562 /nfs/dbraw/zinc/09/15/62/832091562.db2.gz ZUDKWQHZZUOFCW-AWEZNQCLSA-N 2 0 346.497 -0.494 20 0 EBADRP O=C(NCCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001163232094 832091906 /nfs/dbraw/zinc/09/19/06/832091906.db2.gz MUIWRJTZSCNJEK-UKRRQHHQSA-N 2 0 336.436 -0.238 20 0 EBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001350040703 832108548 /nfs/dbraw/zinc/10/85/48/832108548.db2.gz FZSOPHCOBDDPFK-CQSZACIVSA-N 2 0 339.484 -0.804 20 0 EBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2)C1 ZINC001350060428 832111297 /nfs/dbraw/zinc/11/12/97/832111297.db2.gz DJOICOHFJWJVOZ-KKUMJFAQSA-N 2 0 337.468 -0.922 20 0 EBADRP CCN1CCO[C@H](C(=O)NCCCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001350127135 832119531 /nfs/dbraw/zinc/11/95/31/832119531.db2.gz RXNYAWKSQIOYMK-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC001350353475 832158966 /nfs/dbraw/zinc/15/89/66/832158966.db2.gz HSPRDTXBNYOSHR-ILXRZTDVSA-N 2 0 339.484 -0.805 20 0 EBADRP COC(=O)[C@H](C[NH3+])Cc1ccc(N(C)S(=O)(=O)CC[NH3+])cc1 ZINC001164300553 832182887 /nfs/dbraw/zinc/18/28/87/832182887.db2.gz SHCCEIJCNZGEBA-LBPRGKRZSA-N 2 0 329.422 -0.298 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC)C1 ZINC001164450115 832188719 /nfs/dbraw/zinc/18/87/19/832188719.db2.gz XYQZNACDEFKPRZ-CYBMUJFWSA-N 2 0 341.456 -0.340 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)N2CCCC2)C1 ZINC001164536709 832195657 /nfs/dbraw/zinc/19/56/57/832195657.db2.gz XBVDVSDYUOSGCJ-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001164574327 832198728 /nfs/dbraw/zinc/19/87/28/832198728.db2.gz HYKOPNRMRLRRHW-GJZGRUSLSA-N 2 0 342.484 -0.035 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001164577906 832199287 /nfs/dbraw/zinc/19/92/87/832199287.db2.gz WSQHETAWWKRKPG-AVGNSLFASA-N 2 0 341.456 -0.343 20 0 EBADRP CS(=O)(=O)c1nc2c(c(N3CC[C@@H]4[NH2+]CC[C@H]43)n1)CC[NH2+]CC2 ZINC001165298902 832212556 /nfs/dbraw/zinc/21/25/56/832212556.db2.gz PGTPFTBJQZLEGI-QWHCGFSZSA-N 2 0 337.449 -0.491 20 0 EBADRP c1cc(N2CCCO[C@]3(C[NH2+]CCOC3)C2)nnc1N1CC[NH2+]CC1 ZINC001165345389 832216044 /nfs/dbraw/zinc/21/60/44/832216044.db2.gz XMBBXYDWGRHLSG-QGZVFWFLSA-N 2 0 348.451 -0.529 20 0 EBADRP C[NH+](C)CCCC(=O)NCCC[NH2+]CC(=O)Nc1nncs1 ZINC001165359704 832217964 /nfs/dbraw/zinc/21/79/64/832217964.db2.gz HKWHSZUVJFIQKK-UHFFFAOYSA-N 2 0 328.442 -0.086 20 0 EBADRP C[NH+](C)CCCC(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001165360507 832218081 /nfs/dbraw/zinc/21/80/81/832218081.db2.gz QJJAORCQGVRHMB-AWEZNQCLSA-N 2 0 328.457 -0.593 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C)C[C@H](C)O1 ZINC001165781054 832237270 /nfs/dbraw/zinc/23/72/70/832237270.db2.gz DNDSKUJGTNNVOU-OKILXGFUSA-N 2 0 328.457 -0.330 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165788717 832238329 /nfs/dbraw/zinc/23/83/29/832238329.db2.gz SYJRHWXBTFGUPP-LBPRGKRZSA-N 2 0 329.445 -0.343 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001166633457 832274938 /nfs/dbraw/zinc/27/49/38/832274938.db2.gz GIUJCKQVNHPNHA-GJZGRUSLSA-N 2 0 340.468 -0.138 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O ZINC001166627176 832275002 /nfs/dbraw/zinc/27/50/02/832275002.db2.gz RMMCOCVFDLVLJG-ZDUSSCGKSA-N 2 0 334.486 -0.542 20 0 EBADRP CC[NH+]1CCC(NC(=O)CN2CCN(C)CC[N@H+](C)CC2)CC1 ZINC001351734230 832275660 /nfs/dbraw/zinc/27/56/60/832275660.db2.gz ALJZPAYTNQRYRF-UHFFFAOYSA-N 2 0 325.501 -0.234 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001166634450 832276086 /nfs/dbraw/zinc/27/60/86/832276086.db2.gz SDPZEOTTXAOCOZ-LBPRGKRZSA-N 2 0 339.440 -0.445 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001166667900 832277546 /nfs/dbraw/zinc/27/75/46/832277546.db2.gz KWFHQLOHCLDLEH-CABCVRRESA-N 2 0 340.468 -0.281 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001166677322 832278800 /nfs/dbraw/zinc/27/88/00/832278800.db2.gz HRCCRSVUKQBNRV-ZDUSSCGKSA-N 2 0 334.486 -0.685 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001166678414 832279775 /nfs/dbraw/zinc/27/97/75/832279775.db2.gz VAZUVEUFMHDPNE-CQSZACIVSA-N 2 0 328.457 -0.423 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166678146 832280086 /nfs/dbraw/zinc/28/00/86/832280086.db2.gz TZXWGOUIBXJUHA-NWDGAFQWSA-N 2 0 327.429 -0.732 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1nnc2n1CCOC2 ZINC001166707749 832281177 /nfs/dbraw/zinc/28/11/77/832281177.db2.gz IVWMGBNYXZCOBW-CHWSQXEVSA-N 2 0 336.440 -0.398 20 0 EBADRP CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCO[C@H](C)C1)[NH+](C)C ZINC001166865539 832294760 /nfs/dbraw/zinc/29/47/60/832294760.db2.gz GKSGJWCAGBHBKO-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@@H](COCC(=O)NCCC[NH2+]CC(=O)N(C)C)[NH+]1CCCC1 ZINC001166930647 832300272 /nfs/dbraw/zinc/30/02/72/832300272.db2.gz KWZIJKGIYZRCTO-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP CCCNC(=O)C[NH2+]CC1(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001167732381 832367960 /nfs/dbraw/zinc/36/79/60/832367960.db2.gz AQRIBTHOXHZSLD-UHFFFAOYSA-N 2 0 342.484 -0.033 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC2(C[NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001167732543 832368291 /nfs/dbraw/zinc/36/82/91/832368291.db2.gz GREZTPKRZDSJID-LBPRGKRZSA-N 2 0 339.440 -0.601 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC1(C[NH2+][C@H]2CCCNC2=O)CC1 ZINC001167733053 832368489 /nfs/dbraw/zinc/36/84/89/832368489.db2.gz SUVLSQUOPIQSHF-AWEZNQCLSA-N 2 0 340.468 -0.281 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001353130919 832406003 /nfs/dbraw/zinc/40/60/03/832406003.db2.gz CRKUZWDHOQYHRZ-UHFFFAOYSA-N 2 0 344.456 -0.963 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001353293991 832420374 /nfs/dbraw/zinc/42/03/74/832420374.db2.gz XRHTWXFAQUAWCZ-JOCQHMNTSA-N 2 0 326.441 -0.543 20 0 EBADRP [NH3+][C@@H](CO)Cc1cncn1-c1ccc([C@H]2CC3(C[NH2+]C3)C(=O)N2)cc1 ZINC001169073231 832446494 /nfs/dbraw/zinc/44/64/94/832446494.db2.gz DSJPYDOHEAPMQM-CZUORRHYSA-N 2 0 341.415 -0.115 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1)C(=O)NC(N)=O ZINC001169135453 832450577 /nfs/dbraw/zinc/45/05/77/832450577.db2.gz YKVBGFLKJBCTFQ-LBPRGKRZSA-N 2 0 327.429 -0.602 20 0 EBADRP CC(=O)N1CC[C@@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C1 ZINC001169513265 832465894 /nfs/dbraw/zinc/46/58/94/832465894.db2.gz KZEXVESOLKMSHB-MRXNPFEDSA-N 2 0 347.456 -0.778 20 0 EBADRP CCN1CC[C@H]([NH2+]CCCNC(=O)COC2CC[NH+](C)CC2)C1=O ZINC001169530882 832466031 /nfs/dbraw/zinc/46/60/31/832466031.db2.gz IFFIRLWXEZQSIH-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCCC[NH2+]CCN2CCNC2=O)CC1 ZINC001169531868 832466722 /nfs/dbraw/zinc/46/67/22/832466722.db2.gz VZZHYOQFPXHNIQ-UHFFFAOYSA-N 2 0 341.456 -0.782 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001170233457 832494096 /nfs/dbraw/zinc/49/40/96/832494096.db2.gz OODCSWHANPODOB-LBPRGKRZSA-N 2 0 341.456 -0.199 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)n1 ZINC001354937523 832537381 /nfs/dbraw/zinc/53/73/81/832537381.db2.gz KVLHNERVSBLIDF-MGPQQGTHSA-N 2 0 348.451 -0.160 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001171225907 832552728 /nfs/dbraw/zinc/55/27/28/832552728.db2.gz AZFYCAAVQGHQHJ-ZDUSSCGKSA-N 2 0 339.440 -0.634 20 0 EBADRP C[NH+](C)CCCCC(=O)NCCC[NH2+]CCN1C(=O)CCC1=O ZINC001171584925 832565863 /nfs/dbraw/zinc/56/58/63/832565863.db2.gz CJCYMSNXDUQSMM-UHFFFAOYSA-N 2 0 326.441 -0.037 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001171731363 832574282 /nfs/dbraw/zinc/57/42/82/832574282.db2.gz DXJOZZRGCNVTAL-OAHLLOKOSA-N 2 0 342.484 -0.033 20 0 EBADRP CC[N@@H+]1CC[C@H](n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001173359346 832583673 /nfs/dbraw/zinc/58/36/73/832583673.db2.gz TXDAEHMFYJUCJZ-QEJZJMRPSA-N 2 0 348.451 -0.504 20 0 EBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH3+])CCN1C(=O)c1ccccc1 ZINC001173490454 832584865 /nfs/dbraw/zinc/58/48/65/832584865.db2.gz LKHUPSVKDXDEPU-ILXRZTDVSA-N 2 0 335.404 -0.258 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001176056662 832653985 /nfs/dbraw/zinc/65/39/85/832653985.db2.gz JQTAKFPEKYLMGD-KBPBESRZSA-N 2 0 326.441 -0.719 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001176056302 832654161 /nfs/dbraw/zinc/65/41/61/832654161.db2.gz FPTJWUBPQJISBZ-ZIAGYGMSSA-N 2 0 346.497 -0.685 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176103159 832657053 /nfs/dbraw/zinc/65/70/53/832657053.db2.gz SMNBZXZCYBVAMW-UHFFFAOYSA-N 2 0 334.486 -0.493 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176095893 832657512 /nfs/dbraw/zinc/65/75/12/832657512.db2.gz KLXSAOYYSPSQGI-KBPBESRZSA-N 2 0 328.457 -0.425 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176118255 832657951 /nfs/dbraw/zinc/65/79/51/832657951.db2.gz MIGSVADFMIONBU-AWEZNQCLSA-N 2 0 328.457 -0.281 20 0 EBADRP Cn1cc(N2CC[C@@H]([NH2+]CCCNC(=O)C[NH+]3CCCC3)C2=O)cn1 ZINC001176109981 832658070 /nfs/dbraw/zinc/65/80/70/832658070.db2.gz FYQLIWQUBWLSSN-OAHLLOKOSA-N 2 0 348.451 -0.283 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001176152751 832659614 /nfs/dbraw/zinc/65/96/14/832659614.db2.gz JBMCOBIJOGSHIQ-KGLIPLIRSA-N 2 0 326.441 -0.671 20 0 EBADRP CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)COCC[NH+](C)C ZINC001176156442 832660350 /nfs/dbraw/zinc/66/03/50/832660350.db2.gz KJLZFDYIIIFFSB-AWEZNQCLSA-N 2 0 330.473 -0.035 20 0 EBADRP COC[C@H](O)C[NH2+]CCCC[C@H](C)NC(=O)COCC[NH+](C)C ZINC001176155316 832660447 /nfs/dbraw/zinc/66/04/47/832660447.db2.gz AQQGQSHXXZDEGY-LSDHHAIUSA-N 2 0 333.473 -0.164 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001176167430 832661133 /nfs/dbraw/zinc/66/11/33/832661133.db2.gz ZKWIAJWJXIEWEK-KGLIPLIRSA-N 2 0 330.473 -0.036 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001176169486 832661277 /nfs/dbraw/zinc/66/12/77/832661277.db2.gz LMGCEGVMZYNIDX-AWEZNQCLSA-N 2 0 326.441 -0.717 20 0 EBADRP CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176168988 832661295 /nfs/dbraw/zinc/66/12/95/832661295.db2.gz IJKMGEKCZMEECC-HUUCEWRRSA-N 2 0 342.484 -0.035 20 0 EBADRP C[C@H](CCCC[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001176591101 832680192 /nfs/dbraw/zinc/68/01/92/832680192.db2.gz GZSWKZNHZJLXLV-OLZOCXBDSA-N 2 0 341.456 -0.070 20 0 EBADRP O=C(CCC[NH+]1CCCC1)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001176884967 832701062 /nfs/dbraw/zinc/70/10/62/832701062.db2.gz XXUGMLCVQNLSCQ-UHFFFAOYSA-N 2 0 340.468 -0.183 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176972095 832722351 /nfs/dbraw/zinc/72/23/51/832722351.db2.gz OBJZRBLHOMVVBM-UHFFFAOYSA-N 2 0 329.445 -0.342 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001176986430 832725741 /nfs/dbraw/zinc/72/57/41/832725741.db2.gz OAMGVKGGGLSSGO-CYBMUJFWSA-N 2 0 341.456 -0.198 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001178045656 832816046 /nfs/dbraw/zinc/81/60/46/832816046.db2.gz RABULILGMQWBPF-ZDUSSCGKSA-N 2 0 341.456 -0.198 20 0 EBADRP Cn1[nH]c(C[NH2+]CCCCCCNC(=O)[C@@H]2CCC[N@@H+]2C)nc1=O ZINC001178045336 832816522 /nfs/dbraw/zinc/81/65/22/832816522.db2.gz ITZZNGAECLZKBA-ZDUSSCGKSA-N 2 0 338.456 -0.031 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NCCCCCC[NH2+]CC(N)=O)n1 ZINC001178509152 832874753 /nfs/dbraw/zinc/87/47/53/832874753.db2.gz GVALGXGWWUJFLI-UHFFFAOYSA-N 2 0 338.456 -0.190 20 0 EBADRP NC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001178535441 832878828 /nfs/dbraw/zinc/87/88/28/832878828.db2.gz JNTVWGUWIQSIFN-ZIAGYGMSSA-N 2 0 326.441 -0.399 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]2C)CC[N@@H+]1C ZINC001178731418 832906194 /nfs/dbraw/zinc/90/61/94/832906194.db2.gz WGGPVMPXMCGJKC-KXNHARMFSA-N 2 0 325.413 -0.900 20 0 EBADRP C[NH+](C)CC1(C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)CC1 ZINC001179393361 832972717 /nfs/dbraw/zinc/97/27/17/832972717.db2.gz UGTHFOXGIXQWIY-UHFFFAOYSA-N 2 0 341.456 -0.211 20 0 EBADRP CCCC[C@H]([NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)C(N)=O ZINC001187106813 833901554 /nfs/dbraw/zinc/90/15/54/833901554.db2.gz MTAQGUZAIJSLAA-KGLIPLIRSA-N 2 0 328.457 -0.201 20 0 EBADRP CCn1nnc(C)c1C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115750 833903064 /nfs/dbraw/zinc/90/30/64/833903064.db2.gz QWTNEBILUJIHSO-CQSZACIVSA-N 2 0 338.456 -0.125 20 0 EBADRP COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187231320 833911990 /nfs/dbraw/zinc/91/19/90/833911990.db2.gz JNTSQLDLCQXYDM-HZPDHXFCSA-N 2 0 345.484 -0.067 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001187290911 833915840 /nfs/dbraw/zinc/91/58/40/833915840.db2.gz CCZBBQOTYJDYPW-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001187290924 833916086 /nfs/dbraw/zinc/91/60/86/833916086.db2.gz CSWWNHITRYJNEP-CYBMUJFWSA-N 2 0 341.456 -0.246 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001187322159 833919968 /nfs/dbraw/zinc/91/99/68/833919968.db2.gz LUSFBLBGYODLGE-CABCVRRESA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@H](C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)CS(C)(=O)=O ZINC001187842815 833973579 /nfs/dbraw/zinc/97/35/79/833973579.db2.gz PKKOXHIITYMAPI-ZIAGYGMSSA-N 2 0 331.482 -0.047 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)C(=O)NC(N)=O ZINC001188098810 834002700 /nfs/dbraw/zinc/00/27/00/834002700.db2.gz DZCWGKSCYURZJO-CHWSQXEVSA-N 2 0 339.440 -0.364 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001188099478 834003457 /nfs/dbraw/zinc/00/34/57/834003457.db2.gz JSDSVGCALQGAQS-GFCCVEGCSA-N 2 0 325.413 -0.752 20 0 EBADRP Cc1cncn1CC(=O)N1CC[C@H]2CN([C@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001188561441 834063689 /nfs/dbraw/zinc/06/36/89/834063689.db2.gz GLMSNCNCENXQGU-FRRDWIJNSA-N 2 0 348.407 -0.692 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188964213 834110901 /nfs/dbraw/zinc/11/09/01/834110901.db2.gz ZWAVGYIRIOIWCL-SOUVJXGZSA-N 2 0 325.453 -0.132 20 0 EBADRP CN(CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1)S(C)(=O)=O ZINC001189055691 834119459 /nfs/dbraw/zinc/11/94/59/834119459.db2.gz ZSUCPVGVHSBTIW-UONOGXRCSA-N 2 0 346.497 -0.638 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801714 834193093 /nfs/dbraw/zinc/19/30/93/834193093.db2.gz JQVMAQBRZQVXBV-SOUVJXGZSA-N 2 0 329.441 -0.895 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001190675474 834316314 /nfs/dbraw/zinc/31/63/14/834316314.db2.gz OMPNBZZZJUWVGU-DGCLKSJQSA-N 2 0 339.440 -0.413 20 0 EBADRP COCCOC[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192045288 834599379 /nfs/dbraw/zinc/59/93/79/834599379.db2.gz BRCSGUCNRHAADD-CVEARBPZSA-N 2 0 345.484 -0.115 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([N@H+](C)CCN2C(=O)CNC2=O)C1 ZINC001192047413 834600182 /nfs/dbraw/zinc/60/01/82/834600182.db2.gz RXZKRQDUSZPTCX-CYBMUJFWSA-N 2 0 339.440 -0.587 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@H]([N@H+](C)CCNC(=O)C2CC2)C1 ZINC001193488056 834886367 /nfs/dbraw/zinc/88/63/67/834886367.db2.gz LLERDOXCXBBTBY-HNNXBMFYSA-N 2 0 340.468 -0.377 20 0 EBADRP CN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)COCC[NH+](C)C)C2)C1=O ZINC001193487994 834886406 /nfs/dbraw/zinc/88/64/06/834886406.db2.gz JYSGCZGLWFHQGP-UONOGXRCSA-N 2 0 326.441 -0.672 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)[C@@H](C)C(=O)NC(N)=O)C1 ZINC001193643580 834921613 /nfs/dbraw/zinc/92/16/13/834921613.db2.gz XCWSNUVCEFZXGU-NWDGAFQWSA-N 2 0 327.429 -0.556 20 0 EBADRP COCCC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213638293 837827646 /nfs/dbraw/zinc/82/76/46/837827646.db2.gz HVIZXCXIXIRIFA-HZPDHXFCSA-N 2 0 343.468 -0.051 20 0 EBADRP CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194103172 835024533 /nfs/dbraw/zinc/02/45/33/835024533.db2.gz WJPLOTSJSFMGKC-RBSFLKMASA-N 2 0 343.468 -0.459 20 0 EBADRP CC[C@@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194290369 835073017 /nfs/dbraw/zinc/07/30/17/835073017.db2.gz UCSHPNHGGADNID-QLFBSQMISA-N 2 0 349.435 -0.667 20 0 EBADRP COCCOC[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194293714 835076671 /nfs/dbraw/zinc/07/66/71/835076671.db2.gz ITUFASRQZVPAPO-HZPDHXFCSA-N 2 0 345.484 -0.117 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]2O)CC1 ZINC001195661217 835268099 /nfs/dbraw/zinc/26/80/99/835268099.db2.gz JZDDCUGHTOVJDO-RBSFLKMASA-N 2 0 325.453 -0.084 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001195701735 835274598 /nfs/dbraw/zinc/27/45/98/835274598.db2.gz QPBWMDVOHUYTFX-RBSFLKMASA-N 2 0 340.468 -0.594 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)C[C@H]1O ZINC001195859131 835300763 /nfs/dbraw/zinc/30/07/63/835300763.db2.gz FLGRFDCEIGPCCB-BRWVUGGUSA-N 2 0 335.448 -0.297 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[N@@H+](CCOCCO)CC1 ZINC001195873999 835304162 /nfs/dbraw/zinc/30/41/62/835304162.db2.gz OYRVZSCGHQZDMF-MRXNPFEDSA-N 2 0 325.453 -0.129 20 0 EBADRP C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001196222626 835371946 /nfs/dbraw/zinc/37/19/46/835371946.db2.gz VHZJQTFFSONBOS-DJIMGWMZSA-N 2 0 335.448 -0.297 20 0 EBADRP COCCOC[C@H](O)C[N@@H+]1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196970411 835489830 /nfs/dbraw/zinc/48/98/30/835489830.db2.gz CNSSJGHNYFGTPP-MRXNPFEDSA-N 2 0 345.484 -0.114 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCCN(CC(=O)N2CCOCC2)CC1 ZINC001197707926 835600129 /nfs/dbraw/zinc/60/01/29/835600129.db2.gz RHWUFGTXEFJCJJ-UHFFFAOYSA-N 2 0 340.468 -0.279 20 0 EBADRP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001197792873 835609019 /nfs/dbraw/zinc/60/90/19/835609019.db2.gz RYFNOZUFPZSYSB-RBSFLKMASA-N 2 0 329.441 -0.848 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@H]1O ZINC001197826487 835613597 /nfs/dbraw/zinc/61/35/97/835613597.db2.gz ZFFDTYRGHYDBFV-RBSFLKMASA-N 2 0 343.468 -0.459 20 0 EBADRP CN(CCC[NH+](C)C)Cc1ccc(C(=O)N[C@H](CO)C(N)=O)cc1 ZINC001198037016 835632345 /nfs/dbraw/zinc/63/23/45/835632345.db2.gz RWECAVIAWOPDNJ-OAHLLOKOSA-N 2 0 336.436 -0.354 20 0 EBADRP [NH3+]CCN(CCNC(=O)c1cncn1-c1cc[nH+]cc1)N(O)N=O ZINC001198557465 835693577 /nfs/dbraw/zinc/69/35/77/835693577.db2.gz RIBMFCGQJWMFSV-UHFFFAOYSA-N 2 0 334.340 -0.455 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001199788241 835861324 /nfs/dbraw/zinc/86/13/24/835861324.db2.gz MUUGKLWQBSWKTN-CQSZACIVSA-N 2 0 346.497 -0.400 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)N(C)C)C2)CC[N@@H+]1C ZINC001200536175 835982480 /nfs/dbraw/zinc/98/24/80/835982480.db2.gz AVGVFFFPQFFJSH-QLFBSQMISA-N 2 0 340.468 -0.378 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCOCCO)C2)CC[N@@H+]1C ZINC001200546566 835983758 /nfs/dbraw/zinc/98/37/58/835983758.db2.gz GLQUJHPRYRYQRI-OWCLPIDISA-N 2 0 343.468 -0.457 20 0 EBADRP CS(=O)(=O)CC[NH2+]C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001200606087 835995486 /nfs/dbraw/zinc/99/54/86/835995486.db2.gz HKSRWFGFUFWSRK-OAHLLOKOSA-N 2 0 343.493 -0.047 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC)C1 ZINC001200634868 835998913 /nfs/dbraw/zinc/99/89/13/835998913.db2.gz NAOGJGUUWYEBPI-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP O=C([C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC([NH2+]CCOCCO)CC1 ZINC001200657772 836010126 /nfs/dbraw/zinc/01/01/26/836010126.db2.gz BCKZQBNMLFTATL-CVEARBPZSA-N 2 0 341.452 -0.561 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1 ZINC001200703281 836019617 /nfs/dbraw/zinc/01/96/17/836019617.db2.gz AXRUDAPRKVVJLU-HIFRSBDPSA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+](C)C1(CC(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)CCCC1 ZINC001201078992 836090793 /nfs/dbraw/zinc/09/07/93/836090793.db2.gz CLSBBHDWMMFKMV-CQSZACIVSA-N 2 0 340.468 -0.057 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCCO1 ZINC001201128270 836098963 /nfs/dbraw/zinc/09/89/63/836098963.db2.gz GQMFFBWGPGZZNM-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001201137713 836100513 /nfs/dbraw/zinc/10/05/13/836100513.db2.gz BIFRUTXSBMZZIP-RRFJBIMHSA-N 2 0 329.441 -0.705 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1 ZINC001201262657 836119708 /nfs/dbraw/zinc/11/97/08/836119708.db2.gz VPDIJDDIBWFWIJ-CYBMUJFWSA-N 2 0 326.441 -0.719 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201276714 836121902 /nfs/dbraw/zinc/12/19/02/836121902.db2.gz KHXSMVHWNSJIMN-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP CN(C(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1)C1CC1 ZINC001201319067 836128401 /nfs/dbraw/zinc/12/84/01/836128401.db2.gz RNCBMVPKTKZHAD-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC(=O)N1CCCO[C@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001201334176 836129387 /nfs/dbraw/zinc/12/93/87/836129387.db2.gz GRXCEVBRVSMECK-CYBMUJFWSA-N 2 0 335.470 -0.810 20 0 EBADRP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201335434 836130881 /nfs/dbraw/zinc/13/08/81/836130881.db2.gz ONHPIBVLBOZGTF-OAHLLOKOSA-N 2 0 342.484 -0.083 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CCCO1 ZINC001201404879 836140790 /nfs/dbraw/zinc/14/07/90/836140790.db2.gz ZADTXKXUSYHRHB-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP CC[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]C[C@H](O)COC)C1)[NH+](C)C ZINC001201410812 836142196 /nfs/dbraw/zinc/14/21/96/836142196.db2.gz KBLLNNBGAAPXBV-KKUMJFAQSA-N 2 0 331.457 -0.459 20 0 EBADRP CC[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]C[C@@H](O)COC)C1)[NH+](C)C ZINC001201410810 836142344 /nfs/dbraw/zinc/14/23/44/836142344.db2.gz KBLLNNBGAAPXBV-ILXRZTDVSA-N 2 0 331.457 -0.459 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CCCO1 ZINC001201421609 836144267 /nfs/dbraw/zinc/14/42/67/836144267.db2.gz WSZFTDIJHXRCKZ-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CCCO1 ZINC001201421607 836144449 /nfs/dbraw/zinc/14/44/49/836144449.db2.gz WSZFTDIJHXRCKZ-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC2CC2)C1)[NH+](C)C ZINC001201428895 836145112 /nfs/dbraw/zinc/14/51/12/836145112.db2.gz CBRKKFYIMFLTFI-GJZGRUSLSA-N 2 0 340.468 -0.188 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001201677462 836174613 /nfs/dbraw/zinc/17/46/13/836174613.db2.gz CEUWGSRVTOKUQW-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001201679342 836176166 /nfs/dbraw/zinc/17/61/66/836176166.db2.gz WHJHENNEQORYCM-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP CNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001201701365 836179178 /nfs/dbraw/zinc/17/91/78/836179178.db2.gz LSXIITCQPPRTPU-TVIZTDCDSA-N 2 0 336.436 -0.824 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001201872887 836210397 /nfs/dbraw/zinc/21/03/97/836210397.db2.gz SQEDECFZWFKAED-LBPRGKRZSA-N 2 0 335.408 -0.546 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001201872885 836210454 /nfs/dbraw/zinc/21/04/54/836210454.db2.gz SQEDECFZWFKAED-GFCCVEGCSA-N 2 0 335.408 -0.546 20 0 EBADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202048560 836240563 /nfs/dbraw/zinc/24/05/63/836240563.db2.gz BJGRPVNZVBDEQP-CQSZACIVSA-N 2 0 326.441 -0.575 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001202058252 836245527 /nfs/dbraw/zinc/24/55/27/836245527.db2.gz IYPHLILKSIPRDD-UONOGXRCSA-N 2 0 347.481 -0.810 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC([NH2+]CC(=O)Nc2cnccn2)CC1 ZINC001202315588 836290658 /nfs/dbraw/zinc/29/06/58/836290658.db2.gz BCOLVRHTTOEGMW-UHFFFAOYSA-N 2 0 334.424 -0.053 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202315896 836290977 /nfs/dbraw/zinc/29/09/77/836290977.db2.gz IDVIHSTXRBPQJQ-UHFFFAOYSA-N 2 0 348.513 -0.152 20 0 EBADRP CNC(=O)C[NH2+]C1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)CC1 ZINC001202559639 836317123 /nfs/dbraw/zinc/31/71/23/836317123.db2.gz IIVRWBHLQVOQFZ-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC([NH2+][C@H](C)C(=O)NC(=O)NC)CC1 ZINC001202991880 836377403 /nfs/dbraw/zinc/37/74/03/836377403.db2.gz SZQCOPMJLZWNHZ-GFCCVEGCSA-N 2 0 341.456 -0.247 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC([NH2+]CCN2CCNC2=O)CC1 ZINC001203009931 836384858 /nfs/dbraw/zinc/38/48/58/836384858.db2.gz CBXJZGXRZNTRGX-UHFFFAOYSA-N 2 0 325.457 -0.066 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC([NH2+]C[C@H](O)COCCOC)CC1 ZINC001203208480 836406422 /nfs/dbraw/zinc/40/64/22/836406422.db2.gz HNOXTQHTMHIFLE-INIZCTEOSA-N 2 0 345.484 -0.067 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC([NH2+]CCN2CCCC2=O)CC1 ZINC001203337909 836421909 /nfs/dbraw/zinc/42/19/09/836421909.db2.gz XMPVOCRDZOIWDG-UHFFFAOYSA-N 2 0 340.468 -0.232 20 0 EBADRP CCCNC(=O)C[NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001203349526 836425031 /nfs/dbraw/zinc/42/50/31/836425031.db2.gz RPTYYWDHDIULAH-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CCS(C)(=O)=O)C12CCC2 ZINC001203359255 836426370 /nfs/dbraw/zinc/42/63/70/836426370.db2.gz QSSNYCOQCIQRKP-CHWSQXEVSA-N 2 0 331.482 0.000 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@H]1C[C@@H]([NH2+]CCOCCO)C12CCC2 ZINC001203614782 836453358 /nfs/dbraw/zinc/45/33/58/836453358.db2.gz KYUNWGGRHVNVBV-CABCVRRESA-N 2 0 343.468 -0.410 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001203699102 836462421 /nfs/dbraw/zinc/46/24/21/836462421.db2.gz GVGDCJBPOAROHV-VXGBXAGGSA-N 2 0 339.440 -0.637 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001203699099 836462564 /nfs/dbraw/zinc/46/25/64/836462564.db2.gz GVGDCJBPOAROHV-NEPJUHHUSA-N 2 0 339.440 -0.637 20 0 EBADRP COCCOC[C@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001203699764 836462932 /nfs/dbraw/zinc/46/29/32/836462932.db2.gz SCNDDPNFXLCGJG-GOEBONIOSA-N 2 0 343.468 -0.457 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]C[C@@H](O)Cn3cccn3)CC2)C1 ZINC001203699433 836463127 /nfs/dbraw/zinc/46/31/27/836463127.db2.gz LXGXCBBZKJZBFI-GOEBONIOSA-N 2 0 335.452 -0.224 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001203714253 836466500 /nfs/dbraw/zinc/46/65/00/836466500.db2.gz JVDZDNLKKSWTTC-LBPRGKRZSA-N 2 0 339.440 -0.493 20 0 EBADRP C[C@@H]([NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1)C(=O)NC(N)=O ZINC001203713591 836467086 /nfs/dbraw/zinc/46/70/86/836467086.db2.gz ACWRRZANIDQYCK-LLVKDONJSA-N 2 0 325.413 -0.754 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203730094 836468938 /nfs/dbraw/zinc/46/89/38/836468938.db2.gz JCXZMJCGGHRUGX-NWDGAFQWSA-N 2 0 337.424 -0.706 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203730099 836469460 /nfs/dbraw/zinc/46/94/60/836469460.db2.gz JCXZMJCGGHRUGX-VXGBXAGGSA-N 2 0 337.424 -0.706 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203790904 836478007 /nfs/dbraw/zinc/47/80/07/836478007.db2.gz ABYUCFJBAYWXBO-NWDGAFQWSA-N 2 0 339.440 -0.462 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCN2CCNC2=O)CC1 ZINC001204798030 836530168 /nfs/dbraw/zinc/53/01/68/836530168.db2.gz DLMJFCYAUQRFSA-HNNXBMFYSA-N 2 0 337.468 -0.066 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001206281169 836634800 /nfs/dbraw/zinc/63/48/00/836634800.db2.gz DDHOLJZELCEEDE-YPMHNXCESA-N 2 0 339.440 -0.793 20 0 EBADRP C[C@@H]([NH2+]CC1CCN(C(=O)COC2CC[NH+](C)CC2)CC1)C(N)=O ZINC001206698635 836670376 /nfs/dbraw/zinc/67/03/76/836670376.db2.gz NWZLYZUOIVZNAI-CYBMUJFWSA-N 2 0 340.468 -0.201 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001206928880 836716211 /nfs/dbraw/zinc/71/62/11/836716211.db2.gz MFLOTXATPTZJQQ-UHFFFAOYSA-N 2 0 339.440 -0.634 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001207687861 836845448 /nfs/dbraw/zinc/84/54/48/836845448.db2.gz JIFPAPLNBPCBNJ-QWHCGFSZSA-N 2 0 339.440 -0.493 20 0 EBADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1C)[NH+](C)C ZINC001208699852 837100635 /nfs/dbraw/zinc/10/06/35/837100635.db2.gz WUGOTAOFSOMSPZ-UPJWGTAASA-N 2 0 339.440 -0.685 20 0 EBADRP CC(C)(C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+]1CCCC1 ZINC001208919896 837120862 /nfs/dbraw/zinc/12/08/62/837120862.db2.gz XIHAUBFVCWNCCA-LBPRGKRZSA-N 2 0 339.440 -0.364 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001209244374 837143708 /nfs/dbraw/zinc/14/37/08/837143708.db2.gz ZNHSAHOZZCVUIZ-AVGNSLFASA-N 2 0 339.440 -0.508 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209313706 837154397 /nfs/dbraw/zinc/15/43/97/837154397.db2.gz GCUAXSYPIDQHFM-STQMWFEESA-N 2 0 341.456 -0.247 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209313703 837154461 /nfs/dbraw/zinc/15/44/61/837154461.db2.gz GCUAXSYPIDQHFM-QWHCGFSZSA-N 2 0 341.456 -0.247 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209443788 837166808 /nfs/dbraw/zinc/16/68/08/837166808.db2.gz BHWANGFUNLALMS-GFCCVEGCSA-N 2 0 327.429 -0.636 20 0 EBADRP CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001209474131 837168799 /nfs/dbraw/zinc/16/87/99/837168799.db2.gz FKKWNOVCKOCPSX-UONOGXRCSA-N 2 0 348.513 -0.298 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001209485923 837171081 /nfs/dbraw/zinc/17/10/81/837171081.db2.gz UGMDZUIFCBQNDV-TZMCWYRMSA-N 2 0 341.456 -0.391 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1C ZINC001209634663 837183622 /nfs/dbraw/zinc/18/36/22/837183622.db2.gz HZWXCSRVNHVYKC-GDBMZVCRSA-N 2 0 342.484 -0.083 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001209643679 837185466 /nfs/dbraw/zinc/18/54/66/837185466.db2.gz VFWQHOZJHDTWHB-STQMWFEESA-N 2 0 339.440 -0.636 20 0 EBADRP C[N@H+](CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)CC(C)(C)C ZINC001209691497 837190018 /nfs/dbraw/zinc/19/00/18/837190018.db2.gz WKSFDUDXKXNDFS-GFCCVEGCSA-N 2 0 341.456 -0.260 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001210217493 837256254 /nfs/dbraw/zinc/25/62/54/837256254.db2.gz JDHSXIVAFJVNRX-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210427535 837286636 /nfs/dbraw/zinc/28/66/36/837286636.db2.gz WFGGHLDIASLXAM-MGPQQGTHSA-N 2 0 338.452 -0.040 20 0 EBADRP CC(C)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210678771 837318096 /nfs/dbraw/zinc/31/80/96/837318096.db2.gz WSHLVAGKWNIVNX-CQSZACIVSA-N 2 0 328.457 -0.330 20 0 EBADRP CS(=O)(=O)NCC[NH2+][C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210683851 837318131 /nfs/dbraw/zinc/31/81/31/837318131.db2.gz COKCXXMLVRZEAL-CYBMUJFWSA-N 2 0 344.481 -0.788 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001210685369 837320122 /nfs/dbraw/zinc/32/01/22/837320122.db2.gz UPFIDSLGTRWEQI-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(=O)NCC)C1 ZINC001210790229 837331223 /nfs/dbraw/zinc/33/12/23/837331223.db2.gz WJCIMNOEEYHEEE-CYBMUJFWSA-N 2 0 341.456 -0.246 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001210796147 837332139 /nfs/dbraw/zinc/33/21/39/837332139.db2.gz DCZWHPFERXLPKB-AWEZNQCLSA-N 2 0 348.513 -0.152 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]C[C@H](O)COCCOC)C1 ZINC001210811105 837333374 /nfs/dbraw/zinc/33/33/74/837333374.db2.gz JAUGPSJVWFWEMU-CVEARBPZSA-N 2 0 345.484 -0.067 20 0 EBADRP CN(CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001211064173 837376474 /nfs/dbraw/zinc/37/64/74/837376474.db2.gz JLHVWRHVLXCRMH-ZIAGYGMSSA-N 2 0 346.497 -0.590 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211071471 837378100 /nfs/dbraw/zinc/37/81/00/837378100.db2.gz KCBKSZBHNUQLFD-ZIAGYGMSSA-N 2 0 346.497 -0.542 20 0 EBADRP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213857437 837883383 /nfs/dbraw/zinc/88/33/83/837883383.db2.gz NKEGZEZXEVGOOI-RRFJBIMHSA-N 2 0 329.441 -0.584 20 0 EBADRP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001213863190 837886025 /nfs/dbraw/zinc/88/60/25/837886025.db2.gz HBVFABUZYDELJU-RBSFLKMASA-N 2 0 329.441 -0.848 20 0 EBADRP COCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213863487 837889201 /nfs/dbraw/zinc/88/92/01/837889201.db2.gz LZNJNFGRDBIATP-RBSFLKMASA-N 2 0 329.441 -0.584 20 0 EBADRP C[NH+](C)CCCN1C(=O)C[C@@H]([NH+]2CCC(OCC(N)=O)CC2)C1=O ZINC001318984183 838055599 /nfs/dbraw/zinc/05/55/99/838055599.db2.gz GBLXSJQRDWBUFR-CYBMUJFWSA-N 2 0 340.424 -0.968 20 0 EBADRP C[N@@H+]1CC[C@@](O)(CNC2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC001320222954 838714771 /nfs/dbraw/zinc/71/47/71/838714771.db2.gz NKQUFFBGTNDZTI-QGZVFWFLSA-N 2 0 326.485 -0.561 20 0 EBADRP Cc1nc(C)n(CC[NH2+]C[C@@H](O)CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001320296911 838749712 /nfs/dbraw/zinc/74/97/12/838749712.db2.gz WCDQAAZPCFMZMI-HUUCEWRRSA-N 2 0 338.456 -0.697 20 0 EBADRP C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001320512550 838781699 /nfs/dbraw/zinc/78/16/99/838781699.db2.gz DWCTZWPZBUDYSG-INIZCTEOSA-N 2 0 344.375 -0.611 20 0 EBADRP C[C@H](CC[NH2+]CCCN1C(=O)CNC1=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320518140 838782677 /nfs/dbraw/zinc/78/26/77/838782677.db2.gz QLGMPCRZINJYII-CHWSQXEVSA-N 2 0 339.440 -0.493 20 0 EBADRP C[C@@H](CC[NH2+]CC(=O)Nc1cnccn1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320518713 838783469 /nfs/dbraw/zinc/78/34/69/838783469.db2.gz VEUHNLKWOSAOSY-QWHCGFSZSA-N 2 0 334.424 -0.006 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001320737787 838828064 /nfs/dbraw/zinc/82/80/64/838828064.db2.gz OOUVGLMWZXLDRF-CHWSQXEVSA-N 2 0 341.456 -0.390 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001320998978 838879906 /nfs/dbraw/zinc/87/99/06/838879906.db2.gz RVAMRQKWQNQGTA-ZRMMWKCHSA-N 2 0 337.424 -0.669 20 0 EBADRP CC[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)N1CCOCC1)[NH+](C)C ZINC001321113222 838910990 /nfs/dbraw/zinc/91/09/90/838910990.db2.gz XBDGQYNKCHJDET-GEXIGZQTSA-N 2 0 326.441 -0.553 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001321199181 838934266 /nfs/dbraw/zinc/93/42/66/838934266.db2.gz FZXRKLCSHVYMGC-IBPBTGAJSA-N 2 0 339.440 -0.423 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC001322810928 839271387 /nfs/dbraw/zinc/27/13/87/839271387.db2.gz JGDKICOHVZQHOD-LSDHHAIUSA-N 2 0 338.452 -0.480 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC2([NH2+]CCN3C(=O)CNC3=O)CC2)CC1 ZINC001323524136 839462912 /nfs/dbraw/zinc/46/29/12/839462912.db2.gz APHGXDKPEBWAEK-UHFFFAOYSA-N 2 0 337.424 -0.882 20 0 EBADRP C[C@@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)CC[NH+](C)C ZINC001324080453 839589650 /nfs/dbraw/zinc/58/96/50/839589650.db2.gz ITBMHDWMWYBOIL-CHWSQXEVSA-N 2 0 334.486 -0.544 20 0 EBADRP C[C@@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)C[NH+]1CCCC1 ZINC001324098649 839591290 /nfs/dbraw/zinc/59/12/90/839591290.db2.gz SJWGNCKBHCFOMP-ZIAGYGMSSA-N 2 0 346.497 -0.400 20 0 EBADRP C[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001325455454 839869411 /nfs/dbraw/zinc/86/94/11/839869411.db2.gz LIFDTPFRSZWKOE-QWHCGFSZSA-N 2 0 341.456 -0.260 20 0 EBADRP O=C(N[C@]1(CO)CCC[N@@H+](CCOCCO)C1)C12CC[NH+](CC1)C2 ZINC001325864339 839961261 /nfs/dbraw/zinc/96/12/61/839961261.db2.gz FEYBXCMWLHBESN-QGZVFWFLSA-N 2 0 341.452 -0.966 20 0 EBADRP C[NH+](C)CCCCC(=O)N[C@@]1(CO)CCCN([C@H]2CCNC2=O)C1 ZINC001325863768 839961442 /nfs/dbraw/zinc/96/14/42/839961442.db2.gz AMOMGSDYTVQKCC-YOEHRIQHSA-N 2 0 340.468 -0.450 20 0 EBADRP CNC(=O)C[NH2+]CCN(CCO)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001326022114 840004459 /nfs/dbraw/zinc/00/44/59/840004459.db2.gz JITKPMHJKOQLBH-UHFFFAOYSA-N 2 0 328.457 -0.593 20 0 EBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC001326407403 840100772 /nfs/dbraw/zinc/10/07/72/840100772.db2.gz COWRNCHTKCIQNQ-AWEZNQCLSA-N 2 0 337.472 -0.227 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC001326547919 840131616 /nfs/dbraw/zinc/13/16/16/840131616.db2.gz JRYXCDHOPDLRBU-HZSPNIEDSA-N 2 0 348.451 -0.113 20 0 EBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC001326584143 840141271 /nfs/dbraw/zinc/14/12/71/840141271.db2.gz RZWQPFXIFLRNSK-UQOMUDLDSA-N 2 0 348.451 -0.728 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC001326601425 840147101 /nfs/dbraw/zinc/14/71/01/840147101.db2.gz KWTJBEMOVJRQIW-VBQJREDUSA-N 2 0 338.452 -0.589 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC001326846399 840216733 /nfs/dbraw/zinc/21/67/33/840216733.db2.gz KYPKJXRNKPLSJW-OTVXOJSOSA-N 2 0 340.468 -0.330 20 0 EBADRP CC(C)[C@H](C(=O)N1CCO[C@@H](C[NH2+]CCn2cncn2)C1)[NH+](C)C ZINC001327033054 840278633 /nfs/dbraw/zinc/27/86/33/840278633.db2.gz AOLDUFMCWZMZIX-LSDHHAIUSA-N 2 0 338.456 -0.319 20 0 EBADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)CC1 ZINC001327510641 840440817 /nfs/dbraw/zinc/44/08/17/840440817.db2.gz VOUVCGIBRJNCSO-AWEZNQCLSA-N 2 0 337.468 -0.861 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@](CO)([NH2+]CCOCCO)C2)C1 ZINC001327603028 840470310 /nfs/dbraw/zinc/47/03/10/840470310.db2.gz JZMGUXJPSVONFN-WBVHZDCISA-N 2 0 343.468 -0.720 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001328452774 840679415 /nfs/dbraw/zinc/67/94/15/840679415.db2.gz ZPESWZOOEVGLAC-BFHYXJOUSA-N 2 0 340.468 -0.155 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC(=O)N2CC[NH2+]CC2)CC1 ZINC001328606965 840714313 /nfs/dbraw/zinc/71/43/13/840714313.db2.gz SRTSETGIVFDKKG-IAGOWNOFSA-N 2 0 337.512 -0.091 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001328976056 840804830 /nfs/dbraw/zinc/80/48/30/840804830.db2.gz XCIKVRLYBOSXAS-KBPBESRZSA-N 2 0 326.441 -0.712 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NC2(CCO)CN(CCOCCO)C2)CC[N@@H+]1C ZINC001329692248 840990409 /nfs/dbraw/zinc/99/04/09/840990409.db2.gz AKZXIHLDFHZVPM-GJZGRUSLSA-N 2 0 343.468 -0.721 20 0 EBADRP C[C@@H]([NH2+]CCCOC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C(N)=O ZINC001329773248 841014938 /nfs/dbraw/zinc/01/49/38/841014938.db2.gz ISWMJYYKJZPMIJ-UKRRQHHQSA-N 2 0 340.468 -0.058 20 0 EBADRP C[NH2+]CCNC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001329837416 841036726 /nfs/dbraw/zinc/03/67/26/841036726.db2.gz IGZLJUFCRBGADM-UHFFFAOYSA-N 2 0 326.441 -0.671 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H]([NH3+])COC(C)C)CC1 ZINC001329939281 841067999 /nfs/dbraw/zinc/06/79/99/841067999.db2.gz ZUWVLJJNRXSFOM-AWEZNQCLSA-N 2 0 328.457 -0.155 20 0 EBADRP CN(C(=O)[C@@H](N)CC[NH+](C)C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001329937477 841068278 /nfs/dbraw/zinc/06/82/78/841068278.db2.gz OMGDPLLFCKMRKM-HOTGVXAUSA-N 2 0 325.501 -0.108 20 0 EBADRP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@@H]1CCOC1 ZINC001330209093 841144829 /nfs/dbraw/zinc/14/48/29/841144829.db2.gz NOSGKADQAQVVTG-UONOGXRCSA-N 2 0 328.457 -0.521 20 0 EBADRP COCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CCO1 ZINC001330421917 841195948 /nfs/dbraw/zinc/19/59/48/841195948.db2.gz BATAEXMXYCLPEN-HOCLYGCPSA-N 2 0 343.468 -0.051 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](C[NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001330657114 841254518 /nfs/dbraw/zinc/25/45/18/841254518.db2.gz VKNGNHKBIOZEGF-MGPQQGTHSA-N 2 0 346.497 -0.638 20 0 EBADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC1C[NH2+]C1 ZINC001330849443 841282960 /nfs/dbraw/zinc/28/29/60/841282960.db2.gz KAJXBQJVVOVARF-SFHVURJKSA-N 2 0 346.431 -0.830 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCc2ncccn2)C[C@H]1C[NH+](C)C ZINC001330976356 841305136 /nfs/dbraw/zinc/30/51/36/841305136.db2.gz GTQAQMKUYUBQNY-ZIAGYGMSSA-N 2 0 348.451 -0.709 20 0 EBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC001331730880 841474684 /nfs/dbraw/zinc/47/46/84/841474684.db2.gz ILEQFDCZBCTSAT-ZDUSSCGKSA-N 2 0 326.441 -0.541 20 0 EBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001332332696 841617651 /nfs/dbraw/zinc/61/76/51/841617651.db2.gz SQVWZIGZAQLJKM-MCIONIFRSA-N 2 0 338.452 -0.448 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001332673109 841713971 /nfs/dbraw/zinc/71/39/71/841713971.db2.gz QNDHDHVKOCSNNB-UHFFFAOYSA-N 2 0 326.441 -0.576 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1CC[NH+]1C ZINC001332764116 841731332 /nfs/dbraw/zinc/73/13/32/841731332.db2.gz NOPZHCKLSDJDOF-UONOGXRCSA-N 2 0 325.457 -0.068 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001333403187 841868116 /nfs/dbraw/zinc/86/81/16/841868116.db2.gz BFNGQDCKJXRZMP-DZGCQCFKSA-N 2 0 340.468 -0.010 20 0 EBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001333423612 841874262 /nfs/dbraw/zinc/87/42/62/841874262.db2.gz QCTJBZUTEZGSTM-RBSFLKMASA-N 3 0 341.500 -0.702 20 0 EBADRP COCC[NH2+]CC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001333732093 841935369 /nfs/dbraw/zinc/93/53/69/841935369.db2.gz IDCQBPAOXVKDBQ-OAHLLOKOSA-N 2 0 328.457 -0.865 20 0 EBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001333961381 841976330 /nfs/dbraw/zinc/97/63/30/841976330.db2.gz UWEFYCOWXJPRHA-ZIAGYGMSSA-N 2 0 325.457 -0.922 20 0 EBADRP CCC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001335203521 842224384 /nfs/dbraw/zinc/22/43/84/842224384.db2.gz BZALLAZOBFHRKE-KBPBESRZSA-N 2 0 326.441 -0.840 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC001335207688 842225192 /nfs/dbraw/zinc/22/51/92/842225192.db2.gz PWTRKUZVKQSCOB-AWEZNQCLSA-N 2 0 326.441 -0.719 20 0 EBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001335233724 842235056 /nfs/dbraw/zinc/23/50/56/842235056.db2.gz HBGSHFKMLWUCRF-MGPQQGTHSA-N 2 0 326.441 -0.842 20 0 EBADRP C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)C[C@H]2C1 ZINC001336118867 842400379 /nfs/dbraw/zinc/40/03/79/842400379.db2.gz LNSZPPQSMWIINQ-ZVDSWSACSA-N 2 0 334.464 -0.147 20 0 EBADRP CCN1CC[NH+](CCCC[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC001336135309 842403906 /nfs/dbraw/zinc/40/39/06/842403906.db2.gz HQYJEGIGZNZPCL-SJORKVTESA-N 2 0 329.485 -0.104 20 0 EBADRP CC1(C)CN(C(=O)C(=O)N[C@@H]2CCCN3CCSC[C@H]23)CC[NH2+]1 ZINC001336669916 842532009 /nfs/dbraw/zinc/53/20/09/842532009.db2.gz DRKKWXPNMMLAPG-CHWSQXEVSA-N 2 0 340.493 -0.107 20 0 EBADRP C[C@@H](CNC(=O)NCCN1CCC([NH3+])CC1)C[NH+]1CCN(C)CC1 ZINC001336830708 842548987 /nfs/dbraw/zinc/54/89/87/842548987.db2.gz UMBFVVCFJSECFY-HNNXBMFYSA-N 2 0 340.516 -0.408 20 0 EBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]3C[NH3+])C2)CC1 ZINC001337388879 842608886 /nfs/dbraw/zinc/60/88/86/842608886.db2.gz ZALJMKCZZKSDGV-DZGCQCFKSA-N 2 0 337.468 -0.779 20 0 EBADRP CC1CC[NH+](CCCNC(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)CC1 ZINC001340149013 842976199 /nfs/dbraw/zinc/97/61/99/842976199.db2.gz AZNSUTHQOOURSB-HOCLYGCPSA-N 2 0 343.493 -0.141 20 0 EBADRP CC[NH+](CC)CCCCNC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001341556045 843097231 /nfs/dbraw/zinc/09/72/31/843097231.db2.gz RNTAHCQBAUNLIL-ZFWWWQNUSA-N 2 0 331.482 -0.141 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001341656922 843104226 /nfs/dbraw/zinc/10/42/26/843104226.db2.gz GPEKCXSSYJUMPX-HUUCEWRRSA-N 2 0 342.484 -0.254 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C)CC[NH+](C)CC2)C1 ZINC001342982889 843190907 /nfs/dbraw/zinc/19/09/07/843190907.db2.gz ZMDQMZVBAQNYON-OAHLLOKOSA-N 2 0 327.473 -0.404 20 0 EBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001344775901 843333573 /nfs/dbraw/zinc/33/35/73/843333573.db2.gz ZSWYMCUSCSQTSP-ZNMIVQPWSA-N 2 0 338.452 -0.624 20 0 EBADRP CCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)CC1 ZINC001344866830 843341566 /nfs/dbraw/zinc/34/15/66/843341566.db2.gz HTKPNQICMQSVMW-DZGCQCFKSA-N 2 0 340.468 -0.188 20 0 EBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)C1CC(O)C1 ZINC001344938923 843347157 /nfs/dbraw/zinc/34/71/57/843347157.db2.gz UACAIGLUVOOQGA-UHFFFAOYSA-N 2 0 340.468 -0.548 20 0 EBADRP CCN1CC[NH+](CCCC[NH2+]C[C@H](O)C2(O)CCOCC2)CC1 ZINC001345182979 843372088 /nfs/dbraw/zinc/37/20/88/843372088.db2.gz NSRJYCUTQILWQZ-INIZCTEOSA-N 2 0 329.485 -0.104 20 0 EBADRP C[NH+](C)CCCCC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001345795331 843448677 /nfs/dbraw/zinc/44/86/77/843448677.db2.gz YWFWVOZSGXMJGE-LSDHHAIUSA-N 2 0 342.484 -0.252 20 0 EBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1CCOC ZINC001345928010 843462974 /nfs/dbraw/zinc/46/29/74/843462974.db2.gz UKZZDWIWNHKWTP-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC001347060907 843584637 /nfs/dbraw/zinc/58/46/37/843584637.db2.gz KJFCPKNBQBXGCL-UHFFFAOYSA-N 2 0 338.412 -0.449 20 0 EBADRP CC(C)[C@H](C(=O)NCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)[NH+](C)C ZINC001349430998 843902945 /nfs/dbraw/zinc/90/29/45/843902945.db2.gz MKDHIJKHOJNHMJ-HUUCEWRRSA-N 2 0 342.484 -0.086 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cn1 ZINC001349615893 843922002 /nfs/dbraw/zinc/92/20/02/843922002.db2.gz WACSQJDJEDCZMN-NWANDNLSSA-N 2 0 348.451 -0.160 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC001349992548 843955693 /nfs/dbraw/zinc/95/56/93/843955693.db2.gz OGTNHMXHONUHJG-AWEZNQCLSA-N 2 0 326.441 -0.447 20 0 EBADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576207721 950598943 /nfs/dbraw/zinc/59/89/43/950598943.db2.gz IWRRARSAAVEWKJ-NWDGAFQWSA-N 2 0 344.423 -0.058 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CCC[C@H]2C[NH2+]CCNS(C)(=O)=O)CC1 ZINC001671342394 1125807934 /nfs/dbraw/zinc/80/79/34/1125807934.db2.gz JKEADMKFJJFPPA-ZDUSSCGKSA-N 2 0 346.497 -0.542 20 0 EBADRP C[N@H+](CCOCCO)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001691989572 1125809791 /nfs/dbraw/zinc/80/97/91/1125809791.db2.gz JPMOIDUMIZIJFJ-OAHLLOKOSA-N 2 0 325.453 -0.129 20 0 EBADRP CC(=O)NCCOCCN1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001670687748 1125812865 /nfs/dbraw/zinc/81/28/65/1125812865.db2.gz XLFFOMRXIVDZSZ-INIZCTEOSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(=O)NCCOCCN1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001670687752 1125812924 /nfs/dbraw/zinc/81/29/24/1125812924.db2.gz XLFFOMRXIVDZSZ-MRXNPFEDSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[N@H+](CCNC(=O)C[NH+]1CCC(C)CC1)[C@H]1CCC(=O)NC1=O ZINC001691045102 1125814288 /nfs/dbraw/zinc/81/42/88/1125814288.db2.gz SZFPHBVPYSDZAR-AWEZNQCLSA-N 2 0 338.452 -0.038 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CC(=O)NC(N)=O ZINC001691374192 1125855158 /nfs/dbraw/zinc/85/51/58/1125855158.db2.gz QEENPYVPMGWIQZ-GFCCVEGCSA-N 2 0 327.429 -0.650 20 0 EBADRP CNC(=O)NC(=O)CN(C)CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001480923110 1125872619 /nfs/dbraw/zinc/87/26/19/1125872619.db2.gz LAPSTWOEUYRMKV-STQMWFEESA-N 2 0 339.440 -0.493 20 0 EBADRP C[C@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001496148197 1125875550 /nfs/dbraw/zinc/87/55/50/1125875550.db2.gz CAYMHGWAHGBUDU-CYBMUJFWSA-N 2 0 348.513 -0.344 20 0 EBADRP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCN1C(=O)CNC1=O)[NH+](C)C ZINC001496207764 1125890083 /nfs/dbraw/zinc/89/00/83/1125890083.db2.gz RGYBWEPGDXBISC-NWDGAFQWSA-N 2 0 327.429 -0.685 20 0 EBADRP CC[C@H](C(=O)NCCN(C)C(=O)[C@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC001408634903 1125896819 /nfs/dbraw/zinc/89/68/19/1125896819.db2.gz JSXNGSIPMDLWSQ-HUUCEWRRSA-N 2 0 342.484 -0.131 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCN2CCNS(C)(=O)=O)C1 ZINC001481066431 1125916390 /nfs/dbraw/zinc/91/63/90/1125916390.db2.gz UQQICVWXMCWQFF-KGLIPLIRSA-N 2 0 346.497 -0.542 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1CCN1CCNC1=O ZINC001481069723 1125916951 /nfs/dbraw/zinc/91/69/51/1125916951.db2.gz CZXYUSVMAVNHQM-AWEZNQCLSA-N 2 0 325.457 -0.068 20 0 EBADRP CN(C)C(=O)C[N@@H+]1CC[C@@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001481116025 1125924670 /nfs/dbraw/zinc/92/46/70/1125924670.db2.gz DTMRFGFGUWMNAR-AWEZNQCLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[NH+](CCN3CCNC3=O)C2)C1 ZINC001481118783 1125925711 /nfs/dbraw/zinc/92/57/11/1125925711.db2.gz LTXVRHCABKYEFF-HUUCEWRRSA-N 2 0 337.468 -0.209 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001481215211 1125945209 /nfs/dbraw/zinc/94/52/09/1125945209.db2.gz HCIKVWBVUJXJTF-UONOGXRCSA-N 2 0 326.441 -0.624 20 0 EBADRP CN(CCNCc1nnc2n1CCOC2)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001481230985 1125948345 /nfs/dbraw/zinc/94/83/45/1125948345.db2.gz LFTNJDLTPNXWMV-AWEZNQCLSA-N 2 0 348.451 -0.302 20 0 EBADRP CN(CC[NH2+]CCN(C)S(C)(=O)=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001481230788 1125948595 /nfs/dbraw/zinc/94/85/95/1125948595.db2.gz DWFCZTRMJVMZBJ-AWEZNQCLSA-N 2 0 346.497 -0.732 20 0 EBADRP CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001481246635 1125951841 /nfs/dbraw/zinc/95/18/41/1125951841.db2.gz WQCWEEPGNPAHBB-VXGBXAGGSA-N 2 0 325.413 -0.754 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001481297690 1125968539 /nfs/dbraw/zinc/96/85/39/1125968539.db2.gz HQXZYZUWWGPAGP-LBPRGKRZSA-N 2 0 341.456 -0.262 20 0 EBADRP CN(CC[NH2+]C[C@@H](O)COCC(F)(F)F)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001481314951 1125971076 /nfs/dbraw/zinc/97/10/76/1125971076.db2.gz NZOCPKPLFZSZQJ-NWDGAFQWSA-N 2 0 341.374 -0.074 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CC[NH2+]CCN1CCCC1=O ZINC001481315386 1125971233 /nfs/dbraw/zinc/97/12/33/1125971233.db2.gz YJPVLHYQMVTSTR-HNNXBMFYSA-N 2 0 340.468 -0.375 20 0 EBADRP CC(C)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NC(N)=O ZINC001481358291 1125978728 /nfs/dbraw/zinc/97/87/28/1125978728.db2.gz PZQBKZSEZPAOHB-GFCCVEGCSA-N 2 0 327.429 -0.650 20 0 EBADRP O=C(Cc1c[nH]cn1)NCC[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001481449220 1125991833 /nfs/dbraw/zinc/99/18/33/1125991833.db2.gz AESWQNHKEJKFQR-DGCLKSJQSA-N 2 0 333.392 -0.414 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C[C@@H]1C ZINC001671255839 1125995275 /nfs/dbraw/zinc/99/52/75/1125995275.db2.gz AEHMBTIKWLZYSZ-UONOGXRCSA-N 2 0 348.513 -0.155 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)C[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001481507986 1126005584 /nfs/dbraw/zinc/00/55/84/1126005584.db2.gz DRHYIFSHOUUSMM-VXGBXAGGSA-N 2 0 336.396 -0.753 20 0 EBADRP COC[C@@H](O)C[NH+]1CC(CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001481630063 1126026755 /nfs/dbraw/zinc/02/67/55/1126026755.db2.gz CLKXGKINAIJFMS-HNNXBMFYSA-N 2 0 343.468 -0.600 20 0 EBADRP CN(C(=O)C[N@H+](C)C1CCC1)[C@H]1CCN(CCNS(C)(=O)=O)C1 ZINC001481728550 1126046737 /nfs/dbraw/zinc/04/67/37/1126046737.db2.gz XMBNHMYTLWNRDD-AWEZNQCLSA-N 2 0 346.497 -0.447 20 0 EBADRP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)N1CCOCC1 ZINC001481812320 1126058868 /nfs/dbraw/zinc/05/88/68/1126058868.db2.gz KSCBKTUTWGJFBI-QLFBSQMISA-N 2 0 340.468 -0.330 20 0 EBADRP CC[C@H](C(=O)N1CCC(CC[NH2+]CC(=O)NC(N)=O)CC1)[NH+](C)C ZINC001482008205 1126071671 /nfs/dbraw/zinc/07/16/71/1126071671.db2.gz YZTVPJPTDAYNSN-CYBMUJFWSA-N 2 0 341.456 -0.260 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)NCc1cccnc1 ZINC001482169487 1126089987 /nfs/dbraw/zinc/08/99/87/1126089987.db2.gz TWVMSCGHHJUPQI-ZBFHGGJFSA-N 2 0 347.463 -0.009 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001493499611 1126105203 /nfs/dbraw/zinc/10/52/03/1126105203.db2.gz INYXRRNRNVBUJA-OLZOCXBDSA-N 2 0 341.456 -0.249 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001482427596 1126148389 /nfs/dbraw/zinc/14/83/89/1126148389.db2.gz BZOZJPHOTJFRMS-STQMWFEESA-N 2 0 341.456 -0.390 20 0 EBADRP C[N@H+](CCNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@H]21)C1CCCC1 ZINC001648970945 1126186682 /nfs/dbraw/zinc/18/66/82/1126186682.db2.gz DPBGOMGPJVWQEG-SNPRPXQTSA-N 2 0 343.493 0.000 20 0 EBADRP CC(C)[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001482570722 1126199493 /nfs/dbraw/zinc/19/94/93/1126199493.db2.gz FAOIUKUPUFBPOA-OLZOCXBDSA-N 2 0 326.441 -0.138 20 0 EBADRP CC(C)[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@H]1CCC(=O)NC1=O ZINC001482570723 1126199595 /nfs/dbraw/zinc/19/95/95/1126199595.db2.gz FAOIUKUPUFBPOA-QWHCGFSZSA-N 2 0 326.441 -0.138 20 0 EBADRP O=C([C@@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC001648975890 1126205413 /nfs/dbraw/zinc/20/54/13/1126205413.db2.gz DPJSNMPOPWRLOG-CYBMUJFWSA-N 2 0 329.404 -0.450 20 0 EBADRP O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001648979880 1126222639 /nfs/dbraw/zinc/22/26/39/1126222639.db2.gz NYJUCPKBYHRJSC-RKQHYHRCSA-N 2 0 327.450 -0.638 20 0 EBADRP Cn1nnc2cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]3CCC[N@@H+]3C)ccc21 ZINC001482715360 1126256225 /nfs/dbraw/zinc/25/62/25/1126256225.db2.gz GEONDLSFODUMIH-CJNGLKHVSA-N 2 0 346.435 -0.371 20 0 EBADRP COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[NH+]3CCC2CC3)cn1 ZINC001482728157 1126268156 /nfs/dbraw/zinc/26/81/56/1126268156.db2.gz FKTDTYPJFDMTNL-HOTGVXAUSA-N 2 0 348.447 -0.001 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]C[C@H](O)CC(F)(F)F)CC1 ZINC001482765107 1126281364 /nfs/dbraw/zinc/28/13/64/1126281364.db2.gz FHPALCMLKBUGJR-VXGBXAGGSA-N 2 0 341.374 -0.292 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCC2)CC1 ZINC001482781050 1126282452 /nfs/dbraw/zinc/28/24/52/1126282452.db2.gz LJMCWYKUFLTIFL-HNNXBMFYSA-N 2 0 340.468 -0.594 20 0 EBADRP COc1ncccc1C[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001482768107 1126282877 /nfs/dbraw/zinc/28/28/77/1126282877.db2.gz WGOOIZVRKZQQRR-OAHLLOKOSA-N 2 0 336.436 -0.001 20 0 EBADRP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001482784804 1126290155 /nfs/dbraw/zinc/29/01/55/1126290155.db2.gz MRYWSWLNGCFQKK-BXUZGUMPSA-N 2 0 326.441 -0.951 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCCCCC2)C1 ZINC001482790375 1126292131 /nfs/dbraw/zinc/29/21/31/1126292131.db2.gz AXRRINAQNZNIQV-LSDHHAIUSA-N 2 0 340.468 -0.593 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001482868015 1126299128 /nfs/dbraw/zinc/29/91/28/1126299128.db2.gz ONTRYIKHYVJXAI-RYUDHWBXSA-N 2 0 341.456 -0.343 20 0 EBADRP C[C@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001482845120 1126297690 /nfs/dbraw/zinc/29/76/90/1126297690.db2.gz CQFSYSUFFANGKG-OLZOCXBDSA-N 2 0 328.457 -0.297 20 0 EBADRP CCN(CC[NH2+]CC(=O)NC(N)=O)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001482934766 1126304167 /nfs/dbraw/zinc/30/41/67/1126304167.db2.gz NEHZKSFBFJEZEJ-CYBMUJFWSA-N 2 0 341.456 -0.260 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482966730 1126307298 /nfs/dbraw/zinc/30/72/98/1126307298.db2.gz HQILXGCGOGHDRV-ZDUSSCGKSA-N 2 0 341.456 -0.388 20 0 EBADRP O=C(C[NH2+]C/C=C/CNC(=O)Cc1c[nH]cn1)NC1CCOCC1 ZINC001483065298 1126328245 /nfs/dbraw/zinc/32/82/45/1126328245.db2.gz RMXPBNLCPMEFBK-OWOJBTEDSA-N 2 0 335.408 -0.491 20 0 EBADRP CCn1ncnc1CNC/C=C/CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001483094902 1126331803 /nfs/dbraw/zinc/33/18/03/1126331803.db2.gz HOXLXPUMUVWLBT-GJBLVYBDSA-N 2 0 336.440 -0.219 20 0 EBADRP C[C@H](C[NH2+][C@H](C)C(=O)NC(N)=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483156180 1126348019 /nfs/dbraw/zinc/34/80/19/1126348019.db2.gz KGZIRYVDNKQJHT-GHMZBOCLSA-N 2 0 327.429 -0.462 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001483167010 1126349319 /nfs/dbraw/zinc/34/93/19/1126349319.db2.gz RMNOMKFZXCFARW-GFCCVEGCSA-N 2 0 349.435 -0.307 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001483167625 1126349435 /nfs/dbraw/zinc/34/94/35/1126349435.db2.gz RZMZVSPKLUVTNI-UTUOFQBUSA-N 2 0 329.445 -0.345 20 0 EBADRP C[C@H](C[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)NC(=O)C[NH+]1CCCC1 ZINC001483193028 1126352346 /nfs/dbraw/zinc/35/23/46/1126352346.db2.gz OYXXDVOSBFMDSC-KGLIPLIRSA-N 2 0 348.451 -0.285 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001409629347 1126385961 /nfs/dbraw/zinc/38/59/61/1126385961.db2.gz PBGJXPNXLRHXLL-NWDGAFQWSA-N 2 0 329.445 -0.391 20 0 EBADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CCN1CCCS1(=O)=O)[NH+](C)C ZINC001483267704 1126412154 /nfs/dbraw/zinc/41/21/54/1126412154.db2.gz VGJPALMVDAHWNW-STQMWFEESA-N 2 0 334.486 -0.544 20 0 EBADRP CN(CCC[NH2+]CC(=O)NC(N)=O)C(=O)C[N@H+](C)CC(C)(C)C ZINC001483492940 1126431035 /nfs/dbraw/zinc/43/10/35/1126431035.db2.gz NNWSIMIFKXEEGU-UHFFFAOYSA-N 2 0 329.445 -0.403 20 0 EBADRP C[C@@H](CN(C)CC(=O)Nc1nncs1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001483418008 1126426084 /nfs/dbraw/zinc/42/60/84/1126426084.db2.gz RJHIGRHWUIEVRI-QWRGUYRKSA-N 2 0 340.453 -0.135 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001483941971 1126491680 /nfs/dbraw/zinc/49/16/80/1126491680.db2.gz BAJLOIZNNWQOBI-NEPJUHHUSA-N 2 0 327.429 -0.637 20 0 EBADRP NC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001483936262 1126491029 /nfs/dbraw/zinc/49/10/29/1126491029.db2.gz HFSIDITUEGIKJI-LBPRGKRZSA-N 2 0 337.424 -0.610 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CCOCC1 ZINC001484191527 1126513186 /nfs/dbraw/zinc/51/31/86/1126513186.db2.gz SWXZETWATXWKGQ-CYBMUJFWSA-N 2 0 326.441 -0.399 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001484234318 1126534273 /nfs/dbraw/zinc/53/42/73/1126534273.db2.gz BEAWIVFJKJDINA-YOEHRIQHSA-N 2 0 345.484 -0.475 20 0 EBADRP CC[C@@H]([NH2+]C1CCN(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001484423588 1126573952 /nfs/dbraw/zinc/57/39/52/1126573952.db2.gz PZFJSMTYUHSBPJ-DZGCQCFKSA-N 2 0 339.484 -0.628 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001484414847 1126571881 /nfs/dbraw/zinc/57/18/81/1126571881.db2.gz DNJRDRHCLDCJIV-MJBXVCDLSA-N 2 0 336.436 -0.478 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(CCO)CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001484491486 1126594013 /nfs/dbraw/zinc/59/40/13/1126594013.db2.gz RLZCBJJLWLKFEQ-HUUCEWRRSA-N 2 0 340.468 -0.593 20 0 EBADRP CN1CC[C@@H]([NH2+]CCN(CCO)C(=O)CC[C@H]2CCC[N@@H+]2C)C1=O ZINC001484485440 1126595369 /nfs/dbraw/zinc/59/53/69/1126595369.db2.gz JVWSKTLQPMZHJS-HUUCEWRRSA-N 2 0 340.468 -0.498 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC001484513144 1126600754 /nfs/dbraw/zinc/60/07/54/1126600754.db2.gz MEIBMNTVFBRYMY-KGLIPLIRSA-N 2 0 331.482 -0.047 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001484514484 1126600784 /nfs/dbraw/zinc/60/07/84/1126600784.db2.gz ZVBJBGUSNRVUNB-STQMWFEESA-N 2 0 339.440 -0.636 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001484549848 1126603276 /nfs/dbraw/zinc/60/32/76/1126603276.db2.gz NUJCTRPTQCMQGV-ZDUSSCGKSA-N 2 0 338.456 -0.222 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H](C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001484692932 1126620093 /nfs/dbraw/zinc/62/00/93/1126620093.db2.gz QEYLIXIKKYRPCJ-KBPBESRZSA-N 2 0 326.441 -0.767 20 0 EBADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1)C(N)=O ZINC001484700858 1126622844 /nfs/dbraw/zinc/62/28/44/1126622844.db2.gz UOUZOSOCZUVFGB-UONOGXRCSA-N 2 0 326.441 -0.447 20 0 EBADRP CCC1([NH2+]CC(=O)NC(N)=O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001484809707 1126637317 /nfs/dbraw/zinc/63/73/17/1126637317.db2.gz LMMLOCLNOWAMAE-LBPRGKRZSA-N 2 0 339.440 -0.364 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@@](CO)([NH2+]CC(=O)N(C)C)C1 ZINC001484853650 1126644771 /nfs/dbraw/zinc/64/47/71/1126644771.db2.gz GRVVKZUCVLLCKB-MRXNPFEDSA-N 2 0 328.457 -0.641 20 0 EBADRP C[NH+](C)CC1(C(=O)NC2(C[NH2+][C@H]3CCNC3=O)CCOCC2)CC1 ZINC001484867998 1126648764 /nfs/dbraw/zinc/64/87/64/1126648764.db2.gz WDIPWYBAIKKWSU-ZDUSSCGKSA-N 2 0 338.452 -0.528 20 0 EBADRP CCNC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001484964436 1126657202 /nfs/dbraw/zinc/65/72/02/1126657202.db2.gz MARYEIFYEVEDQO-CYBMUJFWSA-N 2 0 326.441 -0.983 20 0 EBADRP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCN1C(=O)CNC1=O ZINC001485002278 1126661999 /nfs/dbraw/zinc/66/19/99/1126661999.db2.gz QARSOEPJKIXQJP-STQMWFEESA-N 2 0 339.440 -0.636 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NC1(CO)CC[NH+](C[C@@H](C)O)CC1 ZINC001485021169 1126663959 /nfs/dbraw/zinc/66/39/59/1126663959.db2.gz JZQOTFXXTJFNRU-ZIAGYGMSSA-N 2 0 333.448 -0.010 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2(CO)CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC001485027207 1126667458 /nfs/dbraw/zinc/66/74/58/1126667458.db2.gz NWOQOCYNRHIVRW-HUUCEWRRSA-N 2 0 325.453 -0.082 20 0 EBADRP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001485147963 1126676792 /nfs/dbraw/zinc/67/67/92/1126676792.db2.gz SJXZQLNWCRKOEH-NWDGAFQWSA-N 2 0 341.456 -0.071 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(OCCC[NH2+]CC(N)=O)CC1 ZINC001485442834 1126717599 /nfs/dbraw/zinc/71/75/99/1126717599.db2.gz CBIGEEZNXPRQKF-OAHLLOKOSA-N 2 0 340.468 -0.057 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@H]([C@H](C)[NH2+]Cc2cnnn2C)C1 ZINC001485650607 1126778130 /nfs/dbraw/zinc/77/81/30/1126778130.db2.gz XRVSPWMYYHBIQB-ZFWWWQNUSA-N 2 0 338.456 -0.138 20 0 EBADRP C[C@H](CCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485723070 1126812698 /nfs/dbraw/zinc/81/26/98/1126812698.db2.gz WLZUQSPMULHJRM-IJLUTSLNSA-N 2 0 327.429 -0.604 20 0 EBADRP CSCC[C@H]([NH3+])CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001649048005 1126864923 /nfs/dbraw/zinc/86/49/23/1126864923.db2.gz KQALURXPHPYQCN-LOWDOPEQSA-N 2 0 342.465 -0.150 20 0 EBADRP CN(C)c1cc[nH+]c(CNC(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)c1 ZINC001649063058 1126867511 /nfs/dbraw/zinc/86/75/11/1126867511.db2.gz ZRVPYFBZBBABQZ-NHYWBVRUSA-N 2 0 338.433 -0.602 20 0 EBADRP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC(=O)Nc1cnccn1 ZINC001485956624 1126923368 /nfs/dbraw/zinc/92/33/68/1126923368.db2.gz YWRRICMKCYQGDZ-ZDUSSCGKSA-N 2 0 334.424 -0.053 20 0 EBADRP C[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCn1cncn1)[NH+]1CCCCCC1 ZINC001486040996 1126987420 /nfs/dbraw/zinc/98/74/20/1126987420.db2.gz HZYLHPJKDICTKX-GJZGRUSLSA-N 2 0 338.456 -0.391 20 0 EBADRP CC1CC[NH+](CC(=O)NC[C@@H](CO)[NH2+][C@H]2CCCNC2=O)CC1 ZINC001486046953 1126993991 /nfs/dbraw/zinc/99/39/91/1126993991.db2.gz BYWXILFXWVCDMP-KBPBESRZSA-N 2 0 326.441 -0.936 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001486049373 1126998176 /nfs/dbraw/zinc/99/81/76/1126998176.db2.gz CZFWBCRPDRXAMT-IUODEOHRSA-N 2 0 340.468 -0.690 20 0 EBADRP CC(C)N1CC[C@@H]([NH2+][C@H](CO)CNC(=O)C[NH+]2CCCC2)C1=O ZINC001486062721 1127012588 /nfs/dbraw/zinc/01/25/88/1127012588.db2.gz YPOVZBMEYQHDEP-UONOGXRCSA-N 2 0 326.441 -0.842 20 0 EBADRP CC(C)N1CC[C@H]([NH2+][C@@H](CO)CNC(=O)C[NH+]2CCCC2)C1=O ZINC001486062719 1127012614 /nfs/dbraw/zinc/01/26/14/1127012614.db2.gz YPOVZBMEYQHDEP-KGLIPLIRSA-N 2 0 326.441 -0.842 20 0 EBADRP CC(C)N1CC[C@H]([NH2+][C@H](CO)CNC(=O)C[NH+]2CCCC2)C1=O ZINC001486062718 1127013087 /nfs/dbraw/zinc/01/30/87/1127013087.db2.gz YPOVZBMEYQHDEP-KBPBESRZSA-N 2 0 326.441 -0.842 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H](CO)[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC001486052113 1127020877 /nfs/dbraw/zinc/02/08/77/1127020877.db2.gz YUFYIAVZWNRLAJ-KBPBESRZSA-N 2 0 342.484 -0.206 20 0 EBADRP CN(C[C@@H](O)C[NH2+]Cc1ccsc1)C(=O)[C@@H]1CN(C)CCO1 ZINC001486266348 1127089851 /nfs/dbraw/zinc/08/98/51/1127089851.db2.gz DZMYLRKLIRKUIO-KBPBESRZSA-N 2 0 327.450 -0.012 20 0 EBADRP CN(C[C@H](O)C[NH2+]C[C@@H]1CCNC(=O)CC1)C(=O)CC[NH+](C)C ZINC001486298436 1127105548 /nfs/dbraw/zinc/10/55/48/1127105548.db2.gz OXUVASIELIQRPV-UONOGXRCSA-N 2 0 328.457 -0.737 20 0 EBADRP C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+](C)CC(C)(C)C)C(=O)N(C)C ZINC001486310886 1127123514 /nfs/dbraw/zinc/12/35/14/1127123514.db2.gz NKYXTPNYDKXUFM-UONOGXRCSA-N 2 0 344.500 -0.150 20 0 EBADRP CC[N@H+](C)CCC(=O)N(C)C[C@H](O)C[NH+](C)[C@@H]1CCCN(C)C1=O ZINC001486353522 1127147794 /nfs/dbraw/zinc/14/77/94/1127147794.db2.gz YTUBPPQKGJMICQ-HUUCEWRRSA-N 2 0 342.484 -0.300 20 0 EBADRP CN(C(=O)C(C)(C)C[NH+]1CCOCC1)C1CC([NH2+]CC(N)=O)C1 ZINC001486466928 1127180790 /nfs/dbraw/zinc/18/07/90/1127180790.db2.gz WCDXXJAARNAVLA-UHFFFAOYSA-N 2 0 326.441 -0.591 20 0 EBADRP CN(CCOCC[NH2+]Cc1cnnn1C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001486494831 1127188414 /nfs/dbraw/zinc/18/84/14/1127188414.db2.gz ZNAZKCUCSYEBLF-OAHLLOKOSA-N 2 0 338.456 -0.136 20 0 EBADRP CN(CC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001493600922 1127217386 /nfs/dbraw/zinc/21/73/86/1127217386.db2.gz SJMZWPWEOJTWHN-KBPBESRZSA-N 2 0 331.482 -0.047 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001273150691 1127327734 /nfs/dbraw/zinc/32/77/34/1127327734.db2.gz NMPVXMRZGCCBOI-WBMJQRKESA-N 2 0 339.440 -0.588 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H](O)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001410079344 1127545088 /nfs/dbraw/zinc/54/50/88/1127545088.db2.gz FXQUBJKXRAUBEO-STQMWFEESA-N 2 0 328.457 -0.596 20 0 EBADRP CCN1CC[C@@H]([N@H+]2C[C@@H]3[C@@H](CNC(=O)C[NH+]4CCCC4)[C@@H]3C2)C1=O ZINC001410137011 1127601060 /nfs/dbraw/zinc/60/10/60/1127601060.db2.gz APSNIECVNHMGLA-LVQVYYBASA-N 2 0 334.464 -0.003 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001410141456 1127611604 /nfs/dbraw/zinc/61/16/04/1127611604.db2.gz USYFHLBRDLIABU-CQSZACIVSA-N 2 0 342.484 -0.206 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001410178100 1127631234 /nfs/dbraw/zinc/63/12/34/1127631234.db2.gz KAHPERBJKUFXPM-JOCQHMNTSA-N 2 0 336.440 -0.711 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001410218932 1127645892 /nfs/dbraw/zinc/64/58/92/1127645892.db2.gz QKMPQXBMWHRMEL-CTYIDZIISA-N 2 0 340.468 -0.282 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001410392579 1127698844 /nfs/dbraw/zinc/69/88/44/1127698844.db2.gz ZSXCJAFGBRUHPC-CHWSQXEVSA-N 2 0 338.456 -0.371 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CCn2cc(Cl)cn2)CC[N@@H+]1C ZINC001410656221 1127794002 /nfs/dbraw/zinc/79/40/02/1127794002.db2.gz LJEXQSGQFOGZCS-MRVWCRGKSA-N 2 0 343.859 -0.057 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001410745358 1127857835 /nfs/dbraw/zinc/85/78/35/1127857835.db2.gz APDIDRXJGTXHND-KBPBESRZSA-N 2 0 328.457 -0.738 20 0 EBADRP C[C@@H]1[C@H]([NH2+]CCN2CCCS2(=O)=O)CCN1C(=O)CC[NH+](C)C ZINC001410872876 1127925281 /nfs/dbraw/zinc/92/52/81/1127925281.db2.gz ZBPIXFCELVKUMV-ZIAGYGMSSA-N 2 0 346.497 -0.447 20 0 EBADRP NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C(F)(F)F ZINC001411020066 1127977241 /nfs/dbraw/zinc/97/72/41/1127977241.db2.gz OWMJWKSVICPFAF-MNOVXSKESA-N 2 0 336.358 -0.206 20 0 EBADRP CN(C[C@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)C[N@H+](C)C1CCC1 ZINC001411050370 1127987310 /nfs/dbraw/zinc/98/73/10/1127987310.db2.gz YGISFLTXTYCRRA-CQSZACIVSA-N 2 0 326.441 -0.888 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)C[N@H+](C)C1CCC1 ZINC001411050368 1127987673 /nfs/dbraw/zinc/98/76/73/1127987673.db2.gz YGISFLTXTYCRRA-AWEZNQCLSA-N 2 0 326.441 -0.888 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnnn1C ZINC001411083087 1128008289 /nfs/dbraw/zinc/00/82/89/1128008289.db2.gz ZSNUCKKZEAZTQV-HUUCEWRRSA-N 2 0 338.456 -0.403 20 0 EBADRP COc1cc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)on1 ZINC001411129705 1128029147 /nfs/dbraw/zinc/02/91/47/1128029147.db2.gz SAPHJLZNNZYOGN-RYUDHWBXSA-N 2 0 326.397 -0.456 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnnn1C ZINC001411129509 1128029445 /nfs/dbraw/zinc/02/94/45/1128029445.db2.gz RBNQVKWWZGBKEO-CABCVRRESA-N 2 0 338.456 -0.402 20 0 EBADRP CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001411131034 1128030053 /nfs/dbraw/zinc/03/00/53/1128030053.db2.gz RQQCUJKQIGIIGH-CQSZACIVSA-N 2 0 328.457 -0.737 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)N4CCC4)C[C@@]3(C)C2)C1 ZINC001092272437 1128220046 /nfs/dbraw/zinc/22/00/46/1128220046.db2.gz DXCBGPVUEZBJLI-RKVPGOIHSA-N 2 0 334.464 -0.049 20 0 EBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001092842664 1128278810 /nfs/dbraw/zinc/27/88/10/1128278810.db2.gz JRXKSXXPUNFHKD-TUFIUFKWSA-N 2 0 336.436 -0.981 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC(N)=O)C[C@H]2C)C1 ZINC001092910417 1128283969 /nfs/dbraw/zinc/28/39/69/1128283969.db2.gz DKAUETNGEWVWPD-MCIONIFRSA-N 2 0 326.441 -0.735 20 0 EBADRP Cc1ncc2n1C[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C)CC2 ZINC001092919408 1128283768 /nfs/dbraw/zinc/28/37/68/1128283768.db2.gz NYOIHOXYCZFROA-MRVWCRGKSA-N 2 0 333.436 -0.077 20 0 EBADRP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133725 1128296712 /nfs/dbraw/zinc/29/67/12/1128296712.db2.gz LVOUOEFRYXPGCO-MGPQQGTHSA-N 2 0 348.447 -0.429 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC(n2cc(C[NH2+]C[C@H]3CCOC3)nn2)C1 ZINC001093308898 1128323186 /nfs/dbraw/zinc/32/31/86/1128323186.db2.gz OHOAQXJHGZLPST-CZUORRHYSA-N 2 0 348.451 -0.118 20 0 EBADRP CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)nn1 ZINC001093322039 1128329322 /nfs/dbraw/zinc/32/93/22/1128329322.db2.gz HJILSNKPBMZQRK-HIFRSBDPSA-N 2 0 334.424 -0.366 20 0 EBADRP O=C(C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)NC(=O)NC1CC1 ZINC001187835562 1128355796 /nfs/dbraw/zinc/35/57/96/1128355796.db2.gz YJULBDLLPRVCSB-CYBMUJFWSA-N 2 0 337.424 -0.739 20 0 EBADRP O=C(C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)NCC(F)(F)F ZINC001187835163 1128355973 /nfs/dbraw/zinc/35/59/73/1128355973.db2.gz OTVXJFZWEZIPGE-LLVKDONJSA-N 2 0 336.358 -0.049 20 0 EBADRP O=C(C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)NC[C@@H]1CCOC1 ZINC001187841422 1128356039 /nfs/dbraw/zinc/35/60/39/1128356039.db2.gz APPWRFHFWFIOGQ-LSDHHAIUSA-N 2 0 338.452 -0.575 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001488004899 1128541438 /nfs/dbraw/zinc/54/14/38/1128541438.db2.gz JRILQDSOVBZEJU-LSDHHAIUSA-N 2 0 340.468 -0.737 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001488403236 1128741357 /nfs/dbraw/zinc/74/13/57/1128741357.db2.gz QTBSRDVOIWCSNH-CABCVRRESA-N 2 0 342.484 -0.254 20 0 EBADRP CN(C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)C12CC[NH+](CC1)C2 ZINC001488382377 1128759353 /nfs/dbraw/zinc/75/93/53/1128759353.db2.gz MNDNPYUTEVFZMN-KGLIPLIRSA-N 2 0 338.452 -0.888 20 0 EBADRP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]C[C@H](C)O ZINC001489017896 1128899230 /nfs/dbraw/zinc/89/92/30/1128899230.db2.gz WOBRWNRAEAGJOF-RRFJBIMHSA-N 2 0 325.453 -0.084 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1nc(C[NH2+]CCO)cc(=O)[nH]1 ZINC001489076516 1128906042 /nfs/dbraw/zinc/90/60/42/1128906042.db2.gz NNPUZSMMBCHMFP-CYBMUJFWSA-N 2 0 337.424 -0.245 20 0 EBADRP CO[C@@H](C)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001489080003 1128907906 /nfs/dbraw/zinc/90/79/06/1128907906.db2.gz BUCPWGUEQUNNNR-RYUDHWBXSA-N 2 0 337.424 -0.125 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CCC[C@H]([NH+](CCO)CCO)C2)CC1 ZINC001489168566 1128915943 /nfs/dbraw/zinc/91/59/43/1128915943.db2.gz KQSNLSKIGRPFJD-HNNXBMFYSA-N 2 0 343.468 -0.625 20 0 EBADRP CO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001489541144 1128997386 /nfs/dbraw/zinc/99/73/86/1128997386.db2.gz KUWLPKFOBHXCPX-ZIAGYGMSSA-N 2 0 328.457 -0.378 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001490183421 1129138156 /nfs/dbraw/zinc/13/81/56/1129138156.db2.gz NWCMWJMWTMYLHH-HUUCEWRRSA-N 2 0 340.468 -0.498 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CC[C@@H](C)C2)C[C@@H]1O ZINC001414048863 1131352819 /nfs/dbraw/zinc/35/28/19/1131352819.db2.gz CITZEZVLLMNPCF-KFWWJZLASA-N 2 0 340.468 -0.644 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001414050492 1131355913 /nfs/dbraw/zinc/35/59/13/1131355913.db2.gz SRZTTXYUJICTFY-MCIONIFRSA-N 2 0 340.468 -0.644 20 0 EBADRP C[C@H](O)C[NH+]1CCN(CCCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001490470411 1129183506 /nfs/dbraw/zinc/18/35/06/1129183506.db2.gz ULDHJIRPJXNDEJ-HNNXBMFYSA-N 2 0 326.485 -0.025 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCN1CC[NH+](C[C@H](C)O)CC1 ZINC001490517432 1129219744 /nfs/dbraw/zinc/21/97/44/1129219744.db2.gz XOAGLVCSWBNQSK-JKSUJKDBSA-N 2 0 326.485 -0.025 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@H]([NH2+]CCN1C(=O)CCC1=O)C1CC1 ZINC001490741038 1129251361 /nfs/dbraw/zinc/25/13/61/1129251361.db2.gz SWUMVRQSJFTNID-AWEZNQCLSA-N 2 0 336.436 -0.284 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1CC1 ZINC001490742824 1129251708 /nfs/dbraw/zinc/25/17/08/1129251708.db2.gz UZTVMBDVGNOFRX-JQWIXIFHSA-N 2 0 327.429 -0.606 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1CC1 ZINC001490742825 1129251950 /nfs/dbraw/zinc/25/19/50/1129251950.db2.gz UZTVMBDVGNOFRX-PWSUYJOCSA-N 2 0 327.429 -0.606 20 0 EBADRP CC[NH+]1CCN(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000870021340 1129265119 /nfs/dbraw/zinc/26/51/19/1129265119.db2.gz ODOIRDYBTSLVSA-IAGOWNOFSA-N 3 0 339.528 -0.178 20 0 EBADRP C[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)N1CCN(C)CC1 ZINC000870022304 1129265169 /nfs/dbraw/zinc/26/51/69/1129265169.db2.gz RJDMKJBODFVEQE-BRWVUGGUSA-N 2 0 339.528 -0.180 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)CC2SC(=N)NC2=O)C[C@H]1C[NH+](C)C ZINC000870023136 1129265218 /nfs/dbraw/zinc/26/52/18/1129265218.db2.gz MYXDYHYVFHIMJA-IJLUTSLNSA-N 2 0 341.481 -0.259 20 0 EBADRP CC[C@H](C(=O)NC1(CCO)CN(C(=O)[C@@H](CC)[NH+](C)C)C1)[NH+](C)C ZINC001411774005 1129379085 /nfs/dbraw/zinc/37/90/85/1129379085.db2.gz OXQMRSVIIORIAM-ZIAGYGMSSA-N 2 0 342.484 -0.254 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@H](CO)NC(=O)C12CCC[NH+]1CCC2 ZINC001412861075 1129740185 /nfs/dbraw/zinc/74/01/85/1129740185.db2.gz MFMTUIJOQPEGLE-CQSZACIVSA-N 2 0 338.452 -0.696 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)NC(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC001412875641 1129753022 /nfs/dbraw/zinc/75/30/22/1129753022.db2.gz ZJIWXROENXEWJK-QLFBSQMISA-N 2 0 340.468 -0.594 20 0 EBADRP CC[C@H](C(=O)NC[C@H](CO)NC(=O)C(C)(C)[NH+]1CCCC1)[NH+](C)C ZINC001412923418 1129785837 /nfs/dbraw/zinc/78/58/37/1129785837.db2.gz KVILSJLDBJJVDR-ZIAGYGMSSA-N 2 0 342.484 -0.206 20 0 EBADRP CC1CC[NH+](CC(=O)NC[C@@H](CO)NC(=O)C[NH+]2CCCC2)CC1 ZINC001412959705 1129816841 /nfs/dbraw/zinc/81/68/41/1129816841.db2.gz BUHHXHJDJJDGAN-HNNXBMFYSA-N 2 0 340.468 -0.593 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001490902995 1130234331 /nfs/dbraw/zinc/23/43/31/1130234331.db2.gz KBEFZJMIKMUFOF-LPWJVIDDSA-N 2 0 337.424 -0.565 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1)C(N)=O ZINC001490904204 1130236093 /nfs/dbraw/zinc/23/60/93/1130236093.db2.gz WTHNYPHLOGHCLN-AVGNSLFASA-N 2 0 326.441 -0.545 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@H]1CCC[NH+]1CCCO ZINC001413734301 1130247943 /nfs/dbraw/zinc/24/79/43/1130247943.db2.gz ZGEZAMHACBNFOI-HUUCEWRRSA-N 2 0 327.473 -0.622 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001490945525 1130271220 /nfs/dbraw/zinc/27/12/20/1130271220.db2.gz FJGHATXFAGUGSF-HAQNSBGRSA-N 2 0 337.424 -0.835 20 0 EBADRP C[NH+](C)CCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC(N)=O ZINC001490974165 1130275301 /nfs/dbraw/zinc/27/53/01/1130275301.db2.gz HAUIOGRRVTYUFP-YHWZYXNKSA-N 2 0 339.440 -0.365 20 0 EBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001491018001 1130291126 /nfs/dbraw/zinc/29/11/26/1130291126.db2.gz DBBXYTGZCWHQKK-BETUJISGSA-N 2 0 336.440 -0.617 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CCC[C@@H](C[NH2+]CC(N)=O)C2)cn1 ZINC001491177009 1130349337 /nfs/dbraw/zinc/34/93/37/1130349337.db2.gz KSXMGUSEITXNRQ-ZDUSSCGKSA-N 2 0 336.440 -0.628 20 0 EBADRP C[N@@H+]1CCCN(CCNC(=O)[C@@H]2CCCN([C@H]3CC[NH2+]C3)C2)CC1 ZINC001220303757 1130525174 /nfs/dbraw/zinc/52/51/74/1130525174.db2.gz BRGGADKSVQYSME-SJORKVTESA-N 2 0 337.512 -0.186 20 0 EBADRP COC(=O)Cc1cccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235874662 1130531559 /nfs/dbraw/zinc/53/15/59/1130531559.db2.gz USABIPLXZRXVIT-UHFFFAOYSA-N 2 0 334.464 -0.014 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001491567567 1130552929 /nfs/dbraw/zinc/55/29/29/1130552929.db2.gz FXSAIPNTAUFKHQ-GFCCVEGCSA-N 2 0 341.456 -0.342 20 0 EBADRP C[C@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCOCC1 ZINC001492110822 1130582742 /nfs/dbraw/zinc/58/27/42/1130582742.db2.gz SKQADOJPPJNCHA-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP Cc1cncn1CC(=O)NCCN(C)CC(=O)NC[C@H]1CCOC1 ZINC001492342997 1130652653 /nfs/dbraw/zinc/65/26/53/1130652653.db2.gz YSFMWUNPANTZKK-CQSZACIVSA-N 2 0 337.424 -0.608 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)CCCN2C(=O)CNC2=O)C1 ZINC001492420306 1130662888 /nfs/dbraw/zinc/66/28/88/1130662888.db2.gz AAAXJAVAYKOOED-ZDUSSCGKSA-N 2 0 339.440 -0.682 20 0 EBADRP CCS(=O)(=O)CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001480122857 1130760838 /nfs/dbraw/zinc/76/08/38/1130760838.db2.gz YNVKAMHUIKJLON-KBPBESRZSA-N 2 0 331.482 -0.047 20 0 EBADRP C[C@@H]([NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)C(=O)NC(=O)NC1CC1 ZINC001480530723 1130826235 /nfs/dbraw/zinc/82/62/35/1130826235.db2.gz MYDFJCYFUNVPIP-WDEREUQCSA-N 2 0 327.429 -0.591 20 0 EBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCN(C)S(C)(=O)=O ZINC001480531139 1130826996 /nfs/dbraw/zinc/82/69/96/1130826996.db2.gz UZMWVWDVCAIPLY-GFCCVEGCSA-N 2 0 334.486 -0.686 20 0 EBADRP O=C(NCCCCCN1CC[NH2+]CC1)NC[C@@H]1C[NH2+]CCCO1 ZINC001357515177 1131097583 /nfs/dbraw/zinc/09/75/83/1131097583.db2.gz MLOACCVWJAVAHA-HNNXBMFYSA-N 2 0 327.473 -0.260 20 0 EBADRP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1O)[NH+](C)C ZINC001413979283 1131189319 /nfs/dbraw/zinc/18/93/19/1131189319.db2.gz IEKVOLGJUKJFSH-HZSPNIEDSA-N 2 0 340.468 -0.644 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001413983869 1131196699 /nfs/dbraw/zinc/19/66/99/1131196699.db2.gz HLCDMLKIGCTRCO-ZIAGYGMSSA-N 2 0 328.457 -0.642 20 0 EBADRP C[NH+]1CCN(c2cc[nH+]c(NCc3cn(CC(N)=O)nn3)c2)CC1 ZINC001363868879 1132115610 /nfs/dbraw/zinc/11/56/10/1132115610.db2.gz OZLJQKZTGHVNBA-UHFFFAOYSA-N 2 0 330.396 -0.478 20 0 EBADRP Cn1cc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(=O)[nH]c1=O ZINC001365678458 1132759701 /nfs/dbraw/zinc/75/97/01/1132759701.db2.gz ROYVCJVGZVBQNE-UHFFFAOYSA-N 2 0 340.428 -0.879 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001365834083 1132823912 /nfs/dbraw/zinc/82/39/12/1132823912.db2.gz MZEUOZPVHFQMHZ-FPCVCCKLSA-N 2 0 335.452 -0.177 20 0 EBADRP CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001365844334 1132829493 /nfs/dbraw/zinc/82/94/93/1132829493.db2.gz JUJWGRIUHFFNOF-IJLUTSLNSA-N 2 0 327.429 -0.733 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001365864601 1132841406 /nfs/dbraw/zinc/84/14/06/1132841406.db2.gz TZKXPNGMRFNZMQ-OLZOCXBDSA-N 2 0 341.456 -0.260 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001365926606 1132889229 /nfs/dbraw/zinc/88/92/29/1132889229.db2.gz JZTYUWVHZDGBSA-STQMWFEESA-N 2 0 341.456 -0.119 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCN2CC[NH+](CCO)CC2)C1 ZINC001365960124 1132920226 /nfs/dbraw/zinc/92/02/26/1132920226.db2.gz CKVLOJWXINVKRJ-MRXNPFEDSA-N 2 0 326.485 -0.166 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001366089667 1132997213 /nfs/dbraw/zinc/99/72/13/1132997213.db2.gz JPZMPHGQLDRXCR-RYUDHWBXSA-N 2 0 325.413 -0.883 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001366092638 1132999808 /nfs/dbraw/zinc/99/98/08/1132999808.db2.gz NTSUYLXKBKIJDE-JYJNAYRXSA-N 2 0 335.452 -0.081 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001366095714 1133001587 /nfs/dbraw/zinc/00/15/87/1133001587.db2.gz QNDJJHYIHMDYKK-OLZOCXBDSA-N 2 0 336.440 -0.617 20 0 EBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)C(=O)NC(N)=O ZINC001366102765 1133006311 /nfs/dbraw/zinc/00/63/11/1133006311.db2.gz CNCYGSGCCUPADG-STQMWFEESA-N 2 0 339.440 -0.364 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001366112135 1133011068 /nfs/dbraw/zinc/01/10/68/1133011068.db2.gz KDTAZROZDXASEK-BJDJZHNGSA-N 2 0 345.419 -0.514 20 0 EBADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1)C(N)=O ZINC001366118162 1133014393 /nfs/dbraw/zinc/01/43/93/1133014393.db2.gz NMOXKLRCGCNHGT-IHRRRGAJSA-N 2 0 340.468 -0.155 20 0 EBADRP CCN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001366124309 1133017006 /nfs/dbraw/zinc/01/70/06/1133017006.db2.gz HBZRKPGZXAWFOM-HDJSIYSDSA-N 2 0 340.468 -0.188 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)NC(N)=O)C1 ZINC001366137712 1133022345 /nfs/dbraw/zinc/02/23/45/1133022345.db2.gz RBFJRSVQNROUNS-ODWCKFRGSA-N 2 0 337.424 -0.755 20 0 EBADRP C[NH+]1CCC(OCC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(N)=O)CC1 ZINC001366138543 1133023036 /nfs/dbraw/zinc/02/30/36/1133023036.db2.gz YVHOOUBWZVIOEM-AGUYFDCRSA-N 2 0 338.452 -0.306 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001366192804 1133049736 /nfs/dbraw/zinc/04/97/36/1133049736.db2.gz PRVUACZAVQPFFT-OCCSQVGLSA-N 2 0 341.456 -0.404 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCCC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001366217969 1133060602 /nfs/dbraw/zinc/06/06/02/1133060602.db2.gz MNODFHWGILTIQY-LBPRGKRZSA-N 2 0 327.429 -0.506 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001366325446 1133099541 /nfs/dbraw/zinc/09/95/41/1133099541.db2.gz RRWHTZXATHXOOJ-WDEREUQCSA-N 2 0 327.429 -0.733 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001366329371 1133100412 /nfs/dbraw/zinc/10/04/12/1133100412.db2.gz VRVYCBQKPVCLQD-LLVKDONJSA-N 2 0 327.429 -0.732 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001366354989 1133109173 /nfs/dbraw/zinc/10/91/73/1133109173.db2.gz BHYCMBAGARDMSI-KGLIPLIRSA-N 2 0 326.441 -0.719 20 0 EBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001366355306 1133109360 /nfs/dbraw/zinc/10/93/60/1133109360.db2.gz CHCMQGFRMXCKBM-ZIAGYGMSSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001366355282 1133109454 /nfs/dbraw/zinc/10/94/54/1133109454.db2.gz CCSGWCZYFQXATN-UONOGXRCSA-N 2 0 326.441 -0.671 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001366367237 1133113994 /nfs/dbraw/zinc/11/39/94/1133113994.db2.gz WFRBMFHDNLKHNP-QWHCGFSZSA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]CCN1CCNC1=O ZINC001366468785 1133151035 /nfs/dbraw/zinc/15/10/35/1133151035.db2.gz FHAJUEFRRXTMAJ-CYBMUJFWSA-N 2 0 325.457 -0.020 20 0 EBADRP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001366704262 1133262716 /nfs/dbraw/zinc/26/27/16/1133262716.db2.gz SXGIEKVMWRDHRV-STQMWFEESA-N 2 0 339.440 -0.778 20 0 EBADRP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001366704191 1133262999 /nfs/dbraw/zinc/26/29/99/1133262999.db2.gz ZZNRBGZYYQBCIJ-UONOGXRCSA-N 2 0 346.497 -0.542 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[C@H]2CC[NH+](CCS(C)(=O)=O)C2)C1 ZINC001366848732 1133317684 /nfs/dbraw/zinc/31/76/84/1133317684.db2.gz BISQUQQDNJUDTD-UONOGXRCSA-N 2 0 331.482 -0.189 20 0 EBADRP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)NC(=O)NC ZINC001367092377 1133473495 /nfs/dbraw/zinc/47/34/95/1133473495.db2.gz HQKBVRWTGBEVQG-IJLUTSLNSA-N 2 0 327.429 -0.733 20 0 EBADRP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)COC1CC[NH+](C)CC1)C(N)=O ZINC001367227027 1133508577 /nfs/dbraw/zinc/50/85/77/1133508577.db2.gz JQCYHADJMVTYIX-QWHCGFSZSA-N 2 0 326.441 -0.448 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001367228546 1133509222 /nfs/dbraw/zinc/50/92/22/1133509222.db2.gz RFXOFHYIZCCHCI-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP C[C@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)N(C)C(=O)CC[NH+](C)C ZINC001367375403 1133569226 /nfs/dbraw/zinc/56/92/26/1133569226.db2.gz JGBZPMLMRRPBAE-NEPJUHHUSA-N 2 0 341.456 -0.249 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001367390508 1133574043 /nfs/dbraw/zinc/57/40/43/1133574043.db2.gz ZCRNIJCOONXNMS-OLZOCXBDSA-N 2 0 341.456 -0.118 20 0 EBADRP CCN(C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001367576515 1133643551 /nfs/dbraw/zinc/64/35/51/1133643551.db2.gz HLBSJIHHJIHWPQ-KBPBESRZSA-N 2 0 326.441 -0.842 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)Nc1ccccc1 ZINC001367579266 1133646970 /nfs/dbraw/zinc/64/69/70/1133646970.db2.gz KUTLTFICDUAZDG-LSDHHAIUSA-N 2 0 334.420 -0.214 20 0 EBADRP CN(CC1CC1)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001367607887 1133687728 /nfs/dbraw/zinc/68/77/28/1133687728.db2.gz NIJCAHRKUJFMRS-CABCVRRESA-N 2 0 340.468 -0.594 20 0 EBADRP C[C@H](CC[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001367651274 1133730296 /nfs/dbraw/zinc/73/02/96/1133730296.db2.gz SZDPNSHAEPSZMQ-NEPJUHHUSA-N 2 0 341.456 -0.071 20 0 EBADRP CCN(CC[NH2+][C@@H](C)C(=O)NC(N)=O)C(=O)C12CC[NH+](CC1)C2 ZINC001367683581 1133745190 /nfs/dbraw/zinc/74/51/90/1133745190.db2.gz DJFCVRSLYJXCAB-NSHDSACASA-N 2 0 325.413 -0.896 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001367740092 1133766814 /nfs/dbraw/zinc/76/68/14/1133766814.db2.gz IDMXLJRTCKMJLO-ZDUSSCGKSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C)C(=O)NC(=O)NC1CC1 ZINC001367749004 1133770735 /nfs/dbraw/zinc/77/07/35/1133770735.db2.gz IJQKQUBNRUJTJE-DMDPSCGWSA-N 2 0 339.440 -0.448 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001367752265 1133772164 /nfs/dbraw/zinc/77/21/64/1133772164.db2.gz GLKRXDDXLRGKJN-LBPRGKRZSA-N 2 0 341.456 -0.342 20 0 EBADRP CC[C@H]([NH2+]C1(CNC(=O)C(C)(C)C[NH+]2CCOCC2)CC1)C(N)=O ZINC001368014070 1133896167 /nfs/dbraw/zinc/89/61/67/1133896167.db2.gz OIFBRZPUKDOCED-ZDUSSCGKSA-N 2 0 340.468 -0.153 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001368016196 1133897659 /nfs/dbraw/zinc/89/76/59/1133897659.db2.gz MJTWYOWDCFKNBK-NSHDSACASA-N 2 0 325.413 -0.835 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]C2(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)CCO1 ZINC001368034612 1133906276 /nfs/dbraw/zinc/90/62/76/1133906276.db2.gz JCQJEZJBSBEYDU-KBPBESRZSA-N 2 0 338.452 -0.576 20 0 EBADRP C[C@H]([NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CCCC1)C(=O)NC(N)=O ZINC001368141912 1133955167 /nfs/dbraw/zinc/95/51/67/1133955167.db2.gz YQYOEZHWEUDNDM-WCQYABFASA-N 2 0 341.456 -0.214 20 0 EBADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001368178122 1133979688 /nfs/dbraw/zinc/97/96/88/1133979688.db2.gz NLRLDAZCVYYFRZ-RHSMWYFYSA-N 2 0 340.468 -0.058 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]Cc2nc(=O)n(C)[nH]2)C1)[NH+](C)C ZINC001368194253 1133986847 /nfs/dbraw/zinc/98/68/47/1133986847.db2.gz HUNOOPDXFBISSI-LRDDRELGSA-N 2 0 338.456 -0.223 20 0 EBADRP CC[C@@H](C(=O)NCC1([NH2+]CC(=O)N(C)C)CCOCC1)[NH+](C)C ZINC001368235442 1134003048 /nfs/dbraw/zinc/00/30/48/1134003048.db2.gz FLTJVEDSRFIYFT-ZDUSSCGKSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001368263113 1134057800 /nfs/dbraw/zinc/05/78/00/1134057800.db2.gz QJDFNDMXXXFHRB-CJNGLKHVSA-N 2 0 338.452 -0.568 20 0 EBADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001368273431 1134082081 /nfs/dbraw/zinc/08/20/81/1134082081.db2.gz VVIVROMZELIXFW-PBHICJAKSA-N 2 0 340.468 -0.465 20 0 EBADRP Cn1nccc1CC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001368287821 1134104098 /nfs/dbraw/zinc/10/40/98/1134104098.db2.gz QCJCVIBYCDENJS-QGZVFWFLSA-N 2 0 335.452 -0.389 20 0 EBADRP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001368501394 1134254748 /nfs/dbraw/zinc/25/47/48/1134254748.db2.gz BCFNAZZGECRPBV-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001368504185 1134256747 /nfs/dbraw/zinc/25/67/47/1134256747.db2.gz SCIGTIOHLPYYJO-XBXGTLAGSA-N 2 0 336.440 -0.711 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001368505983 1134258762 /nfs/dbraw/zinc/25/87/62/1134258762.db2.gz CPGSMJNBEHKMSI-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001368509687 1134262079 /nfs/dbraw/zinc/26/20/79/1134262079.db2.gz MGLDJGVKDMTMIS-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCO[C@H](C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001368515858 1134267773 /nfs/dbraw/zinc/26/77/73/1134267773.db2.gz WAOGTNUFINOEGL-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP CC(C)CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001368519875 1134270591 /nfs/dbraw/zinc/27/05/91/1134270591.db2.gz AQKOYBQSGGUTOF-AWEZNQCLSA-N 2 0 328.457 -0.473 20 0 EBADRP CC(C)CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001368519883 1134270916 /nfs/dbraw/zinc/27/09/16/1134270916.db2.gz AQKOYBQSGGUTOF-CQSZACIVSA-N 2 0 328.457 -0.473 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001368532550 1134278584 /nfs/dbraw/zinc/27/85/84/1134278584.db2.gz ASNGVHFHDNNEMR-ZDEQEGDKSA-N 2 0 339.440 -0.462 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001368572783 1134297641 /nfs/dbraw/zinc/29/76/41/1134297641.db2.gz FUYRWVBVTSZPJC-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@H](CNC(=O)C[C@@H]3CC[N@H+](C)C3)C2)nc1=O ZINC001368611224 1134322746 /nfs/dbraw/zinc/32/27/46/1134322746.db2.gz WCCSGJOHRPYWOS-AVGNSLFASA-N 2 0 336.440 -0.565 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CC(=O)NC)C1 ZINC001368623523 1134335327 /nfs/dbraw/zinc/33/53/27/1134335327.db2.gz BSEGWVWXUKDBAH-YOEHRIQHSA-N 2 0 340.468 -0.450 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@](CO)([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001368627999 1134339697 /nfs/dbraw/zinc/33/96/97/1134339697.db2.gz WCFBOMABKPFPDF-QGZVFWFLSA-N 2 0 342.484 -0.204 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CC1(NC(=O)C[N@H+](C)C(C)C)CCOCC1 ZINC001368633518 1134345343 /nfs/dbraw/zinc/34/53/43/1134345343.db2.gz KVKGJVBODDHIQG-CYBMUJFWSA-N 2 0 328.457 -0.284 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@@](CO)([NH2+]CC(=O)N(C)CC)C1)[NH+](C)C ZINC001368633220 1134346074 /nfs/dbraw/zinc/34/60/74/1134346074.db2.gz RKTQTYAFXTVVDW-WMLDXEAASA-N 2 0 342.484 -0.252 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1 ZINC001368688485 1134389593 /nfs/dbraw/zinc/38/95/93/1134389593.db2.gz PHJDDGBMGPGTSY-STQMWFEESA-N 2 0 326.441 -0.712 20 0 EBADRP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCN1CCNC1=O ZINC001368737758 1134414120 /nfs/dbraw/zinc/41/41/20/1134414120.db2.gz SPGFIJOAXQKDMZ-KGLIPLIRSA-N 2 0 325.457 -0.162 20 0 EBADRP C[C@@H](O)C[N@H+](CCO)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001368738778 1134415023 /nfs/dbraw/zinc/41/50/23/1134415023.db2.gz VSEDJMBREAMLKV-CABCVRRESA-N 2 0 325.453 -0.252 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CCCC[C@H]2C[NH2+]CC(N)=O)CC1 ZINC001368777991 1134436550 /nfs/dbraw/zinc/43/65/50/1134436550.db2.gz YQGMMPZRXXGWIT-ZDUSSCGKSA-N 2 0 326.441 -0.447 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CCN1CCCS1(=O)=O ZINC001368894809 1134478119 /nfs/dbraw/zinc/47/81/19/1134478119.db2.gz NOLLHQRQGZVCRR-KBPBESRZSA-N 2 0 348.513 -0.155 20 0 EBADRP COC[C@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001369132690 1134582154 /nfs/dbraw/zinc/58/21/54/1134582154.db2.gz MNFVAGSDBSUOAN-TUVASFSCSA-N 2 0 325.453 -0.228 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001369165282 1134603283 /nfs/dbraw/zinc/60/32/83/1134603283.db2.gz QHXHJSXMFBDZPW-OBJOEFQTSA-N 2 0 341.456 -0.487 20 0 EBADRP CC[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1)C(N)=O ZINC001369176163 1134607121 /nfs/dbraw/zinc/60/71/21/1134607121.db2.gz AVSJRHLOILNMGG-KBUPBQIOSA-N 2 0 340.468 -0.297 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)[C@H](C)C(=O)NC(N)=O)CC1 ZINC001369191798 1134612453 /nfs/dbraw/zinc/61/24/53/1134612453.db2.gz RASZTLAAGHVRLC-GFCCVEGCSA-N 2 0 341.456 -0.166 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001369272071 1134636545 /nfs/dbraw/zinc/63/65/45/1134636545.db2.gz WTDRWFDRHUBBJH-AGIUHOORSA-N 2 0 341.456 -0.391 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001369293387 1134642230 /nfs/dbraw/zinc/64/22/30/1134642230.db2.gz MTDWEIRXYOLWQD-RYUDHWBXSA-N 2 0 329.445 -0.391 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369302655 1134646241 /nfs/dbraw/zinc/64/62/41/1134646241.db2.gz JGHZCYNOMOMQRM-VXGBXAGGSA-N 2 0 327.429 -0.780 20 0 EBADRP C[NH+](C)Cc1cccc(C(=O)NC[C@@H](CO)[NH2+][C@@H]2CCNC2=O)c1 ZINC001369373650 1134730097 /nfs/dbraw/zinc/73/00/97/1134730097.db2.gz LRMMPHDQNQCTRT-LSDHHAIUSA-N 2 0 334.420 -0.683 20 0 EBADRP C[C@@H]1[C@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001369391815 1134752055 /nfs/dbraw/zinc/75/20/55/1134752055.db2.gz NGOXFCPYPXLWAN-GHMZBOCLSA-N 2 0 325.413 -0.898 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)[C@H]1C ZINC001369391352 1134752652 /nfs/dbraw/zinc/75/26/52/1134752652.db2.gz MUVZDELNJSRYNR-NEPJUHHUSA-N 2 0 327.429 -0.637 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001369421894 1134772104 /nfs/dbraw/zinc/77/21/04/1134772104.db2.gz OBBCTDZRPSQLRL-OLZOCXBDSA-N 2 0 341.456 -0.342 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001369428588 1134775046 /nfs/dbraw/zinc/77/50/46/1134775046.db2.gz XKBAVMZCJTWQSW-NWDGAFQWSA-N 2 0 327.429 -0.732 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C(C)(C)C1 ZINC001369455345 1134794520 /nfs/dbraw/zinc/79/45/20/1134794520.db2.gz IHGQFMRVJJYQAZ-VXGBXAGGSA-N 2 0 341.456 -0.263 20 0 EBADRP COc1cc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)ccn1 ZINC001369478434 1134841967 /nfs/dbraw/zinc/84/19/67/1134841967.db2.gz CPENUEQQKWAONM-CABCVRRESA-N 2 0 336.436 -0.049 20 0 EBADRP CN(C[C@H](O)C[NH2+]CC(=O)NC(C)(C)C)C(=O)C1([NH+](C)C)CCC1 ZINC001369479319 1134842177 /nfs/dbraw/zinc/84/21/77/1134842177.db2.gz ZQELNGOVVWWPKZ-CYBMUJFWSA-N 2 0 342.484 -0.206 20 0 EBADRP Cc1nn(C)cc1C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001369482280 1134849335 /nfs/dbraw/zinc/84/93/35/1134849335.db2.gz SHKFOILSINZLFR-GOEBONIOSA-N 2 0 337.468 -0.021 20 0 EBADRP CC1CC[NH+](CC(=O)N(C)C[C@@H](O)C[NH2+][C@H]2CCNC2=O)CC1 ZINC001369483367 1134852191 /nfs/dbraw/zinc/85/21/91/1134852191.db2.gz NBINFUNUDRPXIN-KBPBESRZSA-N 2 0 326.441 -0.984 20 0 EBADRP CN(C[C@@H](O)C[N@H+](C)[C@H]1CCN(C)C1=O)C(=O)CCC[NH+](C)C ZINC001369513964 1134907875 /nfs/dbraw/zinc/90/78/75/1134907875.db2.gz WATZJJYDQKOOAZ-KBPBESRZSA-N 2 0 328.457 -0.690 20 0 EBADRP CN(C[C@H](O)C[N@H+](C)[C@H]1CCNC1=O)C(=O)CC1CC[NH+](C)CC1 ZINC001369524010 1134921329 /nfs/dbraw/zinc/92/13/29/1134921329.db2.gz SWIWTQIMSLTHNN-CABCVRRESA-N 2 0 340.468 -0.642 20 0 EBADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001369578644 1134946858 /nfs/dbraw/zinc/94/68/58/1134946858.db2.gz CPLYIZZVUBJXKV-WXRRBKDZSA-N 2 0 337.424 -0.898 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]CCN2CCNC2=O)C2CC2)CC[N@@H+]1C ZINC001370170576 1135233800 /nfs/dbraw/zinc/23/38/00/1135233800.db2.gz JONIKWBOHUBZCP-BPLDGKMQSA-N 2 0 337.468 -0.164 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001370280202 1135280995 /nfs/dbraw/zinc/28/09/95/1135280995.db2.gz ZBWYVXCKDHALQH-QWHCGFSZSA-N 2 0 339.440 -0.460 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001370322529 1135302788 /nfs/dbraw/zinc/30/27/88/1135302788.db2.gz NEUIANLYMQJKKW-STQMWFEESA-N 2 0 341.456 -0.308 20 0 EBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001370379785 1135324857 /nfs/dbraw/zinc/32/48/57/1135324857.db2.gz DUCJWLLRMXLTFA-LBPRGKRZSA-N 2 0 328.376 -0.183 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001370563183 1135410997 /nfs/dbraw/zinc/41/09/97/1135410997.db2.gz NNFOFULAYWLBBC-JOCQHMNTSA-N 2 0 339.440 -0.445 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001370643510 1135445842 /nfs/dbraw/zinc/44/58/42/1135445842.db2.gz NDLSDYKIZRLBCJ-TUAOUCFPSA-N 2 0 325.413 -0.709 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001370677484 1135485731 /nfs/dbraw/zinc/48/57/31/1135485731.db2.gz ZZWJNXNILJMCFK-KBPBESRZSA-N 2 0 340.468 -0.594 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001370749962 1135589733 /nfs/dbraw/zinc/58/97/33/1135589733.db2.gz HCARUPDRVGSXJR-CYBMUJFWSA-N 2 0 340.468 -0.594 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H](CO)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001370757857 1135600046 /nfs/dbraw/zinc/60/00/46/1135600046.db2.gz KGBSTGWOBWDTKX-AWEZNQCLSA-N 2 0 347.419 -0.117 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)CC1CC[NH+](C)CC1 ZINC001370758219 1135600547 /nfs/dbraw/zinc/60/05/47/1135600547.db2.gz JVPITRGCONTLLL-HUUCEWRRSA-N 2 0 340.468 -0.594 20 0 EBADRP C[NH+](C)C1(C(=O)N2CCCC[C@H]2C[NH2+]CC(=O)NC(N)=O)CCC1 ZINC001370907796 1135691831 /nfs/dbraw/zinc/69/18/31/1135691831.db2.gz IJGKVNLFNUTIET-LBPRGKRZSA-N 2 0 339.440 -0.364 20 0 EBADRP CC[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1)[NH+](C)C ZINC001370996156 1135749982 /nfs/dbraw/zinc/74/99/82/1135749982.db2.gz MKGIHSRAYRZBHH-KGLIPLIRSA-N 2 0 342.484 -0.254 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@H](O)CN(C)C(=O)C[NH+]1CCCC1)[NH+](C)C ZINC001371009088 1135768883 /nfs/dbraw/zinc/76/88/83/1135768883.db2.gz JLXLMDLJPQCPMW-GOEBONIOSA-N 2 0 342.484 -0.396 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001371015219 1135777882 /nfs/dbraw/zinc/77/78/82/1135777882.db2.gz OMKIWGSVDTVTKN-NBFUAULTSA-N 2 0 325.453 -0.086 20 0 EBADRP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)N1CCOC[C@H]1C1CC1 ZINC001371345052 1135893623 /nfs/dbraw/zinc/89/36/23/1135893623.db2.gz HMHRVKCSZMKKDK-HIFRSBDPSA-N 2 0 340.468 -0.330 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1OC ZINC001371521580 1135947520 /nfs/dbraw/zinc/94/75/20/1135947520.db2.gz PHUARCFWLFPJJG-ZIAGYGMSSA-N 2 0 328.457 -0.378 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]1O ZINC001371529751 1135954651 /nfs/dbraw/zinc/95/46/51/1135954651.db2.gz MZYNJIQUIWFYMV-YCPHGPKFSA-N 2 0 342.484 -0.398 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1O ZINC001371532068 1135956392 /nfs/dbraw/zinc/95/63/92/1135956392.db2.gz YATDYEUGIUPBBY-KGLIPLIRSA-N 2 0 342.484 -0.254 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001372935511 1136330418 /nfs/dbraw/zinc/33/04/18/1136330418.db2.gz JWFMPFFFUWAYIC-LBPRGKRZSA-N 2 0 339.440 -0.493 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001372937613 1136331811 /nfs/dbraw/zinc/33/18/11/1136331811.db2.gz IWRSSPXQRZXMSW-RYUDHWBXSA-N 2 0 327.429 -0.508 20 0 EBADRP C[C@H]([NH2+]CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)C(=O)NC(N)=O ZINC001372945428 1136333845 /nfs/dbraw/zinc/33/38/45/1136333845.db2.gz CHMQVNPRQWPSFI-STQMWFEESA-N 2 0 341.456 -0.118 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CC[NH2+][C@H]1CCCN(C)C1=O ZINC001372989711 1136347589 /nfs/dbraw/zinc/34/75/89/1136347589.db2.gz KPWSJZWBKXXGNY-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP C[N@H+](CCN1CCNC1=O)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001373312007 1136425754 /nfs/dbraw/zinc/42/57/54/1136425754.db2.gz KOEFHAIKYPODQR-CABCVRRESA-N 2 0 337.468 -0.256 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC(C[NH+](C)CC(=O)NC(N)=O)CC1 ZINC001373331278 1136430128 /nfs/dbraw/zinc/43/01/28/1136430128.db2.gz ZKCJKBXUYFLAFS-UHFFFAOYSA-N 2 0 341.456 -0.307 20 0 EBADRP CN(CCNC(=O)[C@@H]1CN(C)CCO1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001373389137 1136442817 /nfs/dbraw/zinc/44/28/17/1136442817.db2.gz OUDOADLRDZGWLT-CABCVRRESA-N 2 0 338.452 -0.767 20 0 EBADRP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001373594594 1136507720 /nfs/dbraw/zinc/50/77/20/1136507720.db2.gz WLQGZWWMIBGPSP-LSDHHAIUSA-N 2 0 343.468 -0.457 20 0 EBADRP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CCN2CCNC2=O)C1)[NH+](C)C ZINC001373690917 1136538243 /nfs/dbraw/zinc/53/82/43/1136538243.db2.gz QULQVBUIVNYWSA-UONOGXRCSA-N 2 0 325.457 -0.116 20 0 EBADRP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001373757594 1136553959 /nfs/dbraw/zinc/55/39/59/1136553959.db2.gz HGAGGGALWXEXFO-NWDGAFQWSA-N 2 0 341.456 -0.201 20 0 EBADRP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001373757600 1136554048 /nfs/dbraw/zinc/55/40/48/1136554048.db2.gz HGAGGGALWXEXFO-VXGBXAGGSA-N 2 0 341.456 -0.201 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](CC)[NH2+]CC(=O)NC(N)=O)C1 ZINC001373787881 1136560432 /nfs/dbraw/zinc/56/04/32/1136560432.db2.gz GOKDTWUNKPWISY-STQMWFEESA-N 2 0 341.456 -0.212 20 0 EBADRP C[NH+](C)CCC(=O)NC1(C[NH2+]CC(=O)N2CCOCC2)CCCC1 ZINC001373855435 1136573931 /nfs/dbraw/zinc/57/39/31/1136573931.db2.gz XPAMJKWHEKUUMG-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP CC[C@H](C(=O)NCc1ccc(C[NH2+]CC(=O)NC(N)=O)cc1)[NH+](C)C ZINC001373934797 1136589896 /nfs/dbraw/zinc/58/98/96/1136589896.db2.gz VVFXWHBNOYOMTG-CQSZACIVSA-N 2 0 349.435 -0.073 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001373972941 1136596809 /nfs/dbraw/zinc/59/68/09/1136596809.db2.gz PVRGGFQUIYTULE-CYBMUJFWSA-N 2 0 341.456 -0.247 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001373990302 1136600035 /nfs/dbraw/zinc/60/00/35/1136600035.db2.gz RYPHZKCUCBJJIX-VXGBXAGGSA-N 2 0 327.429 -0.732 20 0 EBADRP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]CC(=O)NC(N)=O ZINC001374084312 1136619582 /nfs/dbraw/zinc/61/95/82/1136619582.db2.gz VLPWIYNOWFLPIR-NSHDSACASA-N 2 0 327.429 -0.745 20 0 EBADRP CC[C@H](C(=O)NCC1([NH2+]CC(=O)NC(=O)NC)CCCC1)[NH+](C)C ZINC001374164076 1136642529 /nfs/dbraw/zinc/64/25/29/1136642529.db2.gz UZDCCLBUTDKUKB-GFCCVEGCSA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001374251396 1136658769 /nfs/dbraw/zinc/65/87/69/1136658769.db2.gz MWFIZEJPBHIWBU-STQMWFEESA-N 2 0 328.457 -0.345 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(N)=O)C1 ZINC001374277719 1136664330 /nfs/dbraw/zinc/66/43/30/1136664330.db2.gz PZDPSHKBFWNAJC-OLZOCXBDSA-N 2 0 341.456 -0.260 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001374303739 1136670239 /nfs/dbraw/zinc/67/02/39/1136670239.db2.gz JNNFIPPQNHFSIZ-CYBMUJFWSA-N 2 0 341.456 -0.390 20 0 EBADRP CC(C)C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001374350320 1136677336 /nfs/dbraw/zinc/67/73/36/1136677336.db2.gz BGHFUQPAHHOGAW-CYBMUJFWSA-N 2 0 341.456 -0.356 20 0 EBADRP CC(C)[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001374431938 1136686807 /nfs/dbraw/zinc/68/68/07/1136686807.db2.gz PRXDJPZPELDPAF-WCQYABFASA-N 2 0 341.456 -0.358 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001374446133 1136689452 /nfs/dbraw/zinc/68/94/52/1136689452.db2.gz IQAUKGRTRJPRAR-GFCCVEGCSA-N 2 0 327.429 -0.732 20 0 EBADRP CCn1nnc(C)c1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001374606283 1136742489 /nfs/dbraw/zinc/74/24/89/1136742489.db2.gz SAGYGRTXKYTFSX-HZSPNIEDSA-N 2 0 338.456 -0.487 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)c1sccc1C[NH+](C)C ZINC001374612698 1136745969 /nfs/dbraw/zinc/74/59/69/1136745969.db2.gz QJAQSKRAMXCEGY-LBPRGKRZSA-N 2 0 342.465 -0.422 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001374614078 1136747395 /nfs/dbraw/zinc/74/73/95/1136747395.db2.gz GHLXYMHVTOCQQG-LSDHHAIUSA-N 2 0 340.468 -0.452 20 0 EBADRP CC(C)CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001374616336 1136749758 /nfs/dbraw/zinc/74/97/58/1136749758.db2.gz GFIRIVRKDCSXRZ-KGLIPLIRSA-N 2 0 328.457 -0.690 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001374633596 1136763740 /nfs/dbraw/zinc/76/37/40/1136763740.db2.gz PKXZLQNNNYMASJ-CYBMUJFWSA-N 2 0 328.457 -0.548 20 0 EBADRP CN1CCC[C@H]([NH2+]C[C@@H](O)CNC(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001374635122 1136765065 /nfs/dbraw/zinc/76/50/65/1136765065.db2.gz VIVUUHAONKAGPW-KGLIPLIRSA-N 2 0 340.468 -0.452 20 0 EBADRP CCN1CCO[C@H](C(=O)N2CC(NC(=O)C[NH+](CC)CC)C2)C1 ZINC001374651125 1136775209 /nfs/dbraw/zinc/77/52/09/1136775209.db2.gz MQZTVBDHYAALJY-AWEZNQCLSA-N 2 0 326.441 -0.624 20 0 EBADRP Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)CC(C)(C)C)n1 ZINC001374660066 1136782681 /nfs/dbraw/zinc/78/26/81/1136782681.db2.gz WQKAJLFAUGPUSE-CQSZACIVSA-N 2 0 325.457 -0.035 20 0 EBADRP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H](C(C)C)[NH+](C)C)nn1C ZINC001374675602 1136793694 /nfs/dbraw/zinc/79/36/94/1136793694.db2.gz UADLMBHMJJQSGI-CABCVRRESA-N 2 0 325.457 -0.119 20 0 EBADRP CN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)CC[NH+]2CCCCC2)C1=O ZINC001374680648 1136797745 /nfs/dbraw/zinc/79/77/45/1136797745.db2.gz BQLYVLBGYXFASC-UONOGXRCSA-N 2 0 326.441 -0.840 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001374681726 1136798123 /nfs/dbraw/zinc/79/81/23/1136798123.db2.gz DVLYLJSXRNWVIO-LSDHHAIUSA-N 2 0 340.468 -0.453 20 0 EBADRP CCN(C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001374687472 1136802620 /nfs/dbraw/zinc/80/26/20/1136802620.db2.gz ZZGKIDFYPDIIKO-JSGCOSHPSA-N 2 0 326.441 -0.984 20 0 EBADRP CCN1CC[C@H]([NH2+]C[C@@H](C)NC(=O)COC2CC[NH+](C)CC2)C1=O ZINC001374828595 1136844120 /nfs/dbraw/zinc/84/41/20/1136844120.db2.gz MESFVLTVLQVYKL-HIFRSBDPSA-N 2 0 340.468 -0.188 20 0 EBADRP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N1CCOCC1)[NH+](C)C ZINC001374834103 1136846505 /nfs/dbraw/zinc/84/65/05/1136846505.db2.gz RGHVMKMWMICSOV-UKRRQHHQSA-N 2 0 328.457 -0.474 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001374886772 1136864725 /nfs/dbraw/zinc/86/47/25/1136864725.db2.gz MBGPNAGVFSLUIR-LBPRGKRZSA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@@H](C[N@H+](C)C[C@@H](O)Cn1cccn1)NC(=O)C12CC[NH+](CC1)C2 ZINC001375132269 1136922735 /nfs/dbraw/zinc/92/27/35/1136922735.db2.gz HAQRPBNUOVCJOR-LSDHHAIUSA-N 2 0 335.452 -0.224 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC2CC[NH+](C)CC2)CCSC1 ZINC000340440637 282229467 /nfs/dbraw/zinc/22/94/67/282229467.db2.gz COUJJSJQXDJBRL-OAHLLOKOSA-N 2 0 328.482 -0.250 20 0 EBADRP C[C@H]1C[NH+](CCCNC(=O)NCC(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000583920589 375886296 /nfs/dbraw/zinc/88/62/96/375886296.db2.gz OSIGJAWHSPNAEU-KBPBESRZSA-N 2 0 341.456 -0.783 20 0 EBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)CC[C@@H]21 ZINC000643549870 375895238 /nfs/dbraw/zinc/89/52/38/375895238.db2.gz XYVXMRWJRHJDHT-WCVJEAGWSA-N 2 0 334.464 -0.003 20 0 EBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC[C@H]21 ZINC000643549868 375895813 /nfs/dbraw/zinc/89/58/13/375895813.db2.gz XYVXMRWJRHJDHT-KLHDSHLOSA-N 2 0 334.464 -0.003 20 0 EBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000643558756 375901847 /nfs/dbraw/zinc/90/18/47/375901847.db2.gz XLQGIJFCGIGTRP-MJBXVCDLSA-N 2 0 326.441 -0.498 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CCSC1 ZINC000642768971 376087995 /nfs/dbraw/zinc/08/79/95/376087995.db2.gz XUMPNJGJADKEAN-SWLSCSKDSA-N 2 0 328.482 -0.202 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)COC1CC[NH2+]CC1 ZINC000584050040 376061787 /nfs/dbraw/zinc/06/17/87/376061787.db2.gz GIXIYLPRDJFSMV-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642744612 376064882 /nfs/dbraw/zinc/06/48/82/376064882.db2.gz ZZZKCMQLUNEOMM-KBPBESRZSA-N 2 0 326.441 -0.719 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CN(C)Cc3ccccc32)CCO1 ZINC000642789122 376153355 /nfs/dbraw/zinc/15/33/55/376153355.db2.gz QYGQDMIXMQVBLF-MAZHCROVSA-N 2 0 346.431 -0.136 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@H](CCF)C1 ZINC000625465229 376232497 /nfs/dbraw/zinc/23/24/97/376232497.db2.gz FYDHSQUDKJUAJB-AWEZNQCLSA-N 2 0 346.447 -0.475 20 0 EBADRP CN(CC1(C)COC1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000625464623 376233224 /nfs/dbraw/zinc/23/32/24/376233224.db2.gz AJWGRHCJSZDCKC-UHFFFAOYSA-N 2 0 328.457 -0.567 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCO1 ZINC000642801643 376297997 /nfs/dbraw/zinc/29/79/97/376297997.db2.gz PJHPXRAQJYASPT-WCQYABFASA-N 2 0 340.468 -0.014 20 0 EBADRP C[C@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)C[NH+]1CCN(C)CC1 ZINC000564924769 376400914 /nfs/dbraw/zinc/40/09/14/376400914.db2.gz YFHVTOHFZBHIBM-HUUCEWRRSA-N 2 0 349.483 -0.357 20 0 EBADRP C[C@@H](Cn1cccn1)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000559302733 376407118 /nfs/dbraw/zinc/40/71/18/376407118.db2.gz KQFQEMACKJVLBU-AWEZNQCLSA-N 2 0 338.456 -0.660 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CCO1 ZINC000642809765 376361405 /nfs/dbraw/zinc/36/14/05/376361405.db2.gz NUDVTICJRUTUIM-BFHYXJOUSA-N 2 0 340.468 -0.202 20 0 EBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000642896760 376568972 /nfs/dbraw/zinc/56/89/72/376568972.db2.gz XEFHJUUPECBRAD-HNNXBMFYSA-N 2 0 339.484 -0.612 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000642901692 376677263 /nfs/dbraw/zinc/67/72/63/376677263.db2.gz AYUOTRFNRGHNKR-QLFBSQMISA-N 2 0 340.468 -0.140 20 0 EBADRP C[C@H]([NH3+])CNC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000642909941 376705348 /nfs/dbraw/zinc/70/53/48/376705348.db2.gz XQURBRWOYIIIRQ-SOUVJXGZSA-N 2 0 339.484 -0.533 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000642912356 376713662 /nfs/dbraw/zinc/71/36/62/376713662.db2.gz AQOZMCFTFIPMNH-UONOGXRCSA-N 3 0 327.473 -0.676 20 0 EBADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCC[NH2+]C2CC2)C[C@H](C)O1 ZINC000642920009 376754393 /nfs/dbraw/zinc/75/43/93/376754393.db2.gz SVINDBMNYYNIEN-STQMWFEESA-N 2 0 326.441 -0.530 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000079049431 376793086 /nfs/dbraw/zinc/79/30/86/376793086.db2.gz RJJJKAHEWYVLFZ-CYBMUJFWSA-N 2 0 325.457 -0.116 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)n1 ZINC000153825872 376808302 /nfs/dbraw/zinc/80/83/02/376808302.db2.gz GUTHXGXOQHZFTA-CQSZACIVSA-N 2 0 346.435 -0.144 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000562820309 377000723 /nfs/dbraw/zinc/00/07/23/377000723.db2.gz FIHVSFGEGKZRNV-CQSZACIVSA-N 2 0 348.451 -0.175 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000562958236 377061136 /nfs/dbraw/zinc/06/11/36/377061136.db2.gz MJFXKTGLJAKMEH-OAHLLOKOSA-N 3 0 341.500 -0.474 20 0 EBADRP C[C@@H](C(=O)N1CCC[C@H](N2CCNCC2=O)C1)N1CCN(C)CC1 ZINC000573001814 377210155 /nfs/dbraw/zinc/21/01/55/377210155.db2.gz BPHPOHJTDCSGME-GJZGRUSLSA-N 2 0 337.468 -0.955 20 0 EBADRP CNS(=O)(=O)C[C@H]1CCC[N@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000626166817 377323649 /nfs/dbraw/zinc/32/36/49/377323649.db2.gz GQIRBHAQYYOBRV-AWEZNQCLSA-N 2 0 346.497 -0.588 20 0 EBADRP CNC(=O)CC[NH+]1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000158717505 377297458 /nfs/dbraw/zinc/29/74/58/377297458.db2.gz NOAJKFTYEPNPTB-UHFFFAOYSA-N 2 0 334.424 -0.429 20 0 EBADRP CC[NH+](CC)CCN(C(=O)C[C@@H](C[NH3+])OC)[C@@H]1CCS(=O)(=O)C1 ZINC000570928493 377303848 /nfs/dbraw/zinc/30/38/48/377303848.db2.gz JVARHBTWRMTOKW-KGLIPLIRSA-N 2 0 349.497 -0.292 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000642999666 377442819 /nfs/dbraw/zinc/44/28/19/377442819.db2.gz ZBEZUCGBXJLGKV-CABCVRRESA-N 2 0 339.484 -0.661 20 0 EBADRP CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)C[C@H]3C[NH2+]CCO3)C2)CC1 ZINC000601339387 377528993 /nfs/dbraw/zinc/52/89/93/377528993.db2.gz CKHJYNLPWYEWCN-LSDHHAIUSA-N 2 0 346.497 -0.984 20 0 EBADRP O=C(NCC[N@@H+]1CCCOCC1)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000364737880 377655992 /nfs/dbraw/zinc/65/59/92/377655992.db2.gz TTXXLWLJMPDVEQ-LSDHHAIUSA-N 2 0 326.441 -0.129 20 0 EBADRP COC(=O)C1CC[NH+](CCCNC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000592560491 377844226 /nfs/dbraw/zinc/84/42/26/377844226.db2.gz XFVDCTAOEPLYRJ-UHFFFAOYSA-N 2 0 327.425 -0.244 20 0 EBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@H]34)CCN2C1=O ZINC000595270603 377988348 /nfs/dbraw/zinc/98/83/48/377988348.db2.gz FPOCBJDKXGSUQF-APIJFGDWSA-N 2 0 335.452 -0.043 20 0 EBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000602489826 378358871 /nfs/dbraw/zinc/35/88/71/378358871.db2.gz AHBABOIYASZIOQ-CVEARBPZSA-N 2 0 348.447 -0.191 20 0 EBADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)NCC2([NH3+])CCOCC2)c1 ZINC000627378014 378391735 /nfs/dbraw/zinc/39/17/35/378391735.db2.gz ZMKPUJFBKQRGPR-UHFFFAOYSA-N 2 0 348.447 -0.012 20 0 EBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000636945355 378435921 /nfs/dbraw/zinc/43/59/21/378435921.db2.gz WTQDGVOEJAULID-BZUAXINKSA-N 2 0 340.468 -0.270 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC[NH+]1CCC1 ZINC000337679551 378678324 /nfs/dbraw/zinc/67/83/24/378678324.db2.gz DBKRODQLXKDHNL-CQSZACIVSA-N 2 0 325.457 -0.066 20 0 EBADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1C[NH2+]CCO1 ZINC000366322897 378878465 /nfs/dbraw/zinc/87/84/65/378878465.db2.gz KPUYNFFSCOCWQW-OAHLLOKOSA-N 2 0 348.451 -0.517 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000339754482 379001117 /nfs/dbraw/zinc/00/11/17/379001117.db2.gz SSGFVHDJVBQWSV-OAHLLOKOSA-N 2 0 339.484 -0.659 20 0 EBADRP Cc1nn(C)c(N2CCOCC2)c1CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563430915 379015726 /nfs/dbraw/zinc/01/57/26/379015726.db2.gz CNKIWXOIDMCSBN-UKRRQHHQSA-N 2 0 348.451 -0.691 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000563454119 379028639 /nfs/dbraw/zinc/02/86/39/379028639.db2.gz ITDBSIOUIPPFJJ-UHFFFAOYSA-N 2 0 326.441 -0.445 20 0 EBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCCc3cn4ccccc4n3)CCN2C1=O ZINC000563457257 379028846 /nfs/dbraw/zinc/02/88/46/379028846.db2.gz KWEGYDCVFQDOIX-UONOGXRCSA-N 2 0 342.403 -0.170 20 0 EBADRP C[NH+]1CCC(C[NH2+]C[C@H](O)C[NH+]2CCCC2)(N2CCOCC2)CC1 ZINC000629580618 379055949 /nfs/dbraw/zinc/05/59/49/379055949.db2.gz VYVVPAWOCMWVHU-KRWDZBQOSA-N 3 0 340.512 -0.171 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000563624201 379058786 /nfs/dbraw/zinc/05/87/86/379058786.db2.gz LZPXDGLVEPJDNP-HNNXBMFYSA-N 2 0 334.424 -0.471 20 0 EBADRP C[N@H+](Cc1ccccc1)C1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000563595689 379050872 /nfs/dbraw/zinc/05/08/72/379050872.db2.gz QYEGOSNAFPRXLH-UHFFFAOYSA-N 2 0 345.447 -0.056 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000339964104 379110132 /nfs/dbraw/zinc/11/01/32/379110132.db2.gz JJINMPWSFQCQMU-UHFFFAOYSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627291952 379120817 /nfs/dbraw/zinc/12/08/17/379120817.db2.gz IXSKNNVLOZHMCI-INIZCTEOSA-N 2 0 348.447 -0.271 20 0 EBADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627473892 379125058 /nfs/dbraw/zinc/12/50/58/379125058.db2.gz ZELWNQKYJDVYJO-ZDUSSCGKSA-N 2 0 326.441 -0.576 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629788336 379131941 /nfs/dbraw/zinc/13/19/41/379131941.db2.gz PGJFRJYVKROESO-QWRGUYRKSA-N 2 0 338.374 -0.008 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@H]1NC(=O)NC1=O ZINC000339980715 379118813 /nfs/dbraw/zinc/11/88/13/379118813.db2.gz LSNCZCJJRVFSJT-GFCCVEGCSA-N 2 0 327.429 -0.684 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000618307091 379137169 /nfs/dbraw/zinc/13/71/69/379137169.db2.gz WAHPZWSHJMZJBE-ZDUSSCGKSA-N 2 0 330.498 -0.098 20 0 EBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000629798974 379142815 /nfs/dbraw/zinc/14/28/15/379142815.db2.gz CQPKKSWAKBLUBP-CQSZACIVSA-N 2 0 328.457 -0.390 20 0 EBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)[C@@H]2C1 ZINC000629802755 379148335 /nfs/dbraw/zinc/14/83/35/379148335.db2.gz KCPCBQJZBLWADM-DTDBQYNISA-N 2 0 334.464 -0.003 20 0 EBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000629808145 379150100 /nfs/dbraw/zinc/15/01/00/379150100.db2.gz GKDSIMFLKICQLZ-AWEZNQCLSA-N 2 0 340.468 -0.105 20 0 EBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000571407751 379171105 /nfs/dbraw/zinc/17/11/05/379171105.db2.gz KKFRTSGKXVYARJ-GJZGRUSLSA-N 2 0 349.483 -0.042 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)CC1 ZINC000627302664 379232612 /nfs/dbraw/zinc/23/26/12/379232612.db2.gz USFRWZPDPZGOKD-HNNXBMFYSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000627304334 379236494 /nfs/dbraw/zinc/23/64/94/379236494.db2.gz RAPFOVUNZBHSHZ-GOEBONIOSA-N 2 0 348.447 -0.272 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)N1CC[NH+](C)C[C@@H](C(=O)OC)C1 ZINC000413311149 379226730 /nfs/dbraw/zinc/22/67/30/379226730.db2.gz ICIUTCMGSNQHML-CQSZACIVSA-N 2 0 344.456 -0.299 20 0 EBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627320165 379322464 /nfs/dbraw/zinc/32/24/64/379322464.db2.gz TVXBGKQBXJNVHS-CQSZACIVSA-N 2 0 340.468 -0.009 20 0 EBADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627323825 379328005 /nfs/dbraw/zinc/32/80/05/379328005.db2.gz HHAZNPAXNXCIOO-UHFFFAOYSA-N 2 0 328.457 -0.295 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1nncn1C ZINC000631869927 379328115 /nfs/dbraw/zinc/32/81/15/379328115.db2.gz ZNBPMAOZPOEALU-CYBMUJFWSA-N 2 0 344.485 -0.148 20 0 EBADRP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)N1CC[NH+](C)CC1 ZINC000627325009 379332781 /nfs/dbraw/zinc/33/27/81/379332781.db2.gz VWTRHTINLIOMGN-ZNMIVQPWSA-N 2 0 339.484 -0.759 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000627332321 379340010 /nfs/dbraw/zinc/34/00/10/379340010.db2.gz WSCKMVKYSRDODH-CQSZACIVSA-N 2 0 328.457 -0.425 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627332488 379343488 /nfs/dbraw/zinc/34/34/88/379343488.db2.gz BAXJEDAJTWQIFB-AWEZNQCLSA-N 2 0 328.457 -0.343 20 0 EBADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627312307 379303589 /nfs/dbraw/zinc/30/35/89/379303589.db2.gz WFGDDBGBXAJJLY-KBPBESRZSA-N 2 0 328.457 -0.343 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000627312170 379304261 /nfs/dbraw/zinc/30/42/61/379304261.db2.gz RFOHKULDTOLADA-KGLIPLIRSA-N 2 0 328.457 -0.425 20 0 EBADRP CNS(=O)(=O)CC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000621278090 379309035 /nfs/dbraw/zinc/30/90/35/379309035.db2.gz CPKHWUBJKUPAIU-UHFFFAOYSA-N 2 0 332.514 -0.115 20 0 EBADRP CCCC[NH+]1CCC(NC(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000627340619 379384703 /nfs/dbraw/zinc/38/47/03/379384703.db2.gz MPIYLWPLTHRFDO-UHFFFAOYSA-N 2 0 328.457 -0.199 20 0 EBADRP CC[NH2+]Cc1cn(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)nn1 ZINC000640876766 379362402 /nfs/dbraw/zinc/36/24/02/379362402.db2.gz PCPIDUWPAJIZMY-HNNXBMFYSA-N 2 0 338.456 -0.139 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621842924 379367772 /nfs/dbraw/zinc/36/77/72/379367772.db2.gz BBHAHWUCKGGSOY-VBQJREDUSA-N 2 0 338.452 -0.447 20 0 EBADRP C[C@H]([NH3+])CNC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000641494746 379431384 /nfs/dbraw/zinc/43/13/84/379431384.db2.gz YSYZWVAGGNBOPA-ZFWWWQNUSA-N 2 0 335.452 -0.078 20 0 EBADRP Nc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)nc(N)[nH+]1 ZINC000623989310 379497677 /nfs/dbraw/zinc/49/76/77/379497677.db2.gz SFEIUSTULZHACL-CHWSQXEVSA-N 2 0 329.408 -0.586 20 0 EBADRP CC(C)[NH+](CCNC(=O)C(=O)NCC1([NH3+])CCOCC1)C(C)C ZINC000627397108 379580879 /nfs/dbraw/zinc/58/08/79/379580879.db2.gz DQKPKHZWNRKFNZ-UHFFFAOYSA-N 2 0 328.457 -0.155 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000627394660 379581409 /nfs/dbraw/zinc/58/14/09/379581409.db2.gz MVVXHDUOQHBSHM-UHFFFAOYSA-N 2 0 326.441 -0.541 20 0 EBADRP CC[NH2+]CCCNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627401153 379582382 /nfs/dbraw/zinc/58/23/82/379582382.db2.gz OAQSWQHDXWKUGF-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627411777 379586636 /nfs/dbraw/zinc/58/66/36/379586636.db2.gz SJXQBEMMOOELLF-ZDUSSCGKSA-N 2 0 326.441 -0.447 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000627429931 379594719 /nfs/dbraw/zinc/59/47/19/379594719.db2.gz FUDJEJXBGPDHOO-UHFFFAOYSA-N 2 0 340.468 -0.342 20 0 EBADRP C[C@H](NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[C@H]1CN(C)CCO1 ZINC000627355451 379563289 /nfs/dbraw/zinc/56/32/89/379563289.db2.gz HEXBMZFDSYBOJX-UWWPHRKUSA-N 2 0 338.452 -0.720 20 0 EBADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627363880 379565211 /nfs/dbraw/zinc/56/52/11/379565211.db2.gz ZHZJHHQHOLJUPC-LSDHHAIUSA-N 2 0 340.468 -0.138 20 0 EBADRP CC1CC[NH+](CCCCNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627363291 379566425 /nfs/dbraw/zinc/56/64/25/379566425.db2.gz KGBIAIFIUWVWRY-OAHLLOKOSA-N 2 0 340.468 -0.281 20 0 EBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000627371014 379571466 /nfs/dbraw/zinc/57/14/66/379571466.db2.gz SORXFIYWOZNTAC-XJKSGUPXSA-N 2 0 342.509 -0.004 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000627376814 379572538 /nfs/dbraw/zinc/57/25/38/379572538.db2.gz OKRONOYDQPAVDN-ZDUSSCGKSA-N 2 0 326.441 -0.553 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C[NH2+]1 ZINC000627370986 379572628 /nfs/dbraw/zinc/57/26/28/379572628.db2.gz SDARUFWXPZDJKI-XUJVJEKNSA-N 2 0 328.482 -0.203 20 0 EBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627453622 379606563 /nfs/dbraw/zinc/60/65/63/379606563.db2.gz SKMOQMCZCOEFQT-UHFFFAOYSA-N 2 0 326.441 -0.447 20 0 EBADRP [NH3+]C1(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CCOCC1 ZINC000627455588 379606780 /nfs/dbraw/zinc/60/67/80/379606780.db2.gz ATUXWFMOKIOFOS-CQSZACIVSA-N 2 0 338.452 -0.303 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627457687 379608171 /nfs/dbraw/zinc/60/81/71/379608171.db2.gz GBLMPTTZHPOTKR-LJISPDSOSA-N 2 0 340.468 -0.141 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000627461080 379610882 /nfs/dbraw/zinc/61/08/82/379610882.db2.gz DMQKGQRNYNQQGK-UHFFFAOYSA-N 2 0 335.408 -0.918 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)C[NH+]1CCCCC1 ZINC000627468660 379615402 /nfs/dbraw/zinc/61/54/02/379615402.db2.gz ATFAXBLKQRHZFZ-KGLIPLIRSA-N 2 0 326.441 -0.671 20 0 EBADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000627474876 379622961 /nfs/dbraw/zinc/62/29/61/379622961.db2.gz ZPPVZAKPNCSNTO-AWEZNQCLSA-N 2 0 338.452 -0.432 20 0 EBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627475990 379625328 /nfs/dbraw/zinc/62/53/28/379625328.db2.gz XYMQRYBFKPAYSK-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C[NH2+]1 ZINC000627477060 379625427 /nfs/dbraw/zinc/62/54/27/379625427.db2.gz QIQCZNGZEHMMLM-KFWWJZLASA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C[NH2+]1 ZINC000627479170 379627414 /nfs/dbraw/zinc/62/74/14/379627414.db2.gz XIUYMEPRHVYKNX-TUVASFSCSA-N 2 0 340.468 -0.141 20 0 EBADRP COC1CC[NH+](C(C)(C)CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631919648 379743210 /nfs/dbraw/zinc/74/32/10/379743210.db2.gz XMRTZDZQZHSRNM-AWEZNQCLSA-N 2 0 349.497 -0.216 20 0 EBADRP CCC[NH+]1CCC(CNC(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000642247027 379753883 /nfs/dbraw/zinc/75/38/83/379753883.db2.gz CVRBLENFZSTTIN-HIFRSBDPSA-N 2 0 340.468 -0.201 20 0 EBADRP CCC[NH2+]CCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627081671 379799964 /nfs/dbraw/zinc/79/99/64/379799964.db2.gz RCVVVPVMWCZJMV-UHFFFAOYSA-N 2 0 326.445 -0.662 20 0 EBADRP CO[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1(C)C ZINC000564191381 379800008 /nfs/dbraw/zinc/80/00/08/379800008.db2.gz RSIHETKTZBUIDQ-ZIAGYGMSSA-N 2 0 342.484 -0.132 20 0 EBADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@H]1COCC[NH2+]1 ZINC000627091253 379803262 /nfs/dbraw/zinc/80/32/62/379803262.db2.gz LQYIFDMJNZPWLI-WDEREUQCSA-N 2 0 339.362 -0.890 20 0 EBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000642256988 379757738 /nfs/dbraw/zinc/75/77/38/379757738.db2.gz CNOSZMXJAIZZTE-GDBMZVCRSA-N 2 0 348.447 -0.191 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000626963703 379765824 /nfs/dbraw/zinc/76/58/24/379765824.db2.gz AGPRPIXLTAISNG-ZIAGYGMSSA-N 2 0 341.456 -0.783 20 0 EBADRP CN(CCOCC[NH3+])C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000626981070 379770269 /nfs/dbraw/zinc/77/02/69/379770269.db2.gz YESZJJSPVXYQGE-OAHLLOKOSA-N 2 0 343.472 -0.990 20 0 EBADRP [NH3+]CCNC(=O)[C@H]1CCCN(S(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000631901917 379770284 /nfs/dbraw/zinc/77/02/84/379770284.db2.gz BYAGKGRQKQCXCR-AWEZNQCLSA-N 2 0 346.497 -0.411 20 0 EBADRP C[NH+](C)CCCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000631902378 379771042 /nfs/dbraw/zinc/77/10/42/379771042.db2.gz XUOBVEVJTHSLLO-AWEZNQCLSA-N 2 0 346.497 -0.588 20 0 EBADRP C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)C[C@H]3C[NH2+]CCO3)CC2)C1 ZINC000631920312 379779718 /nfs/dbraw/zinc/77/97/18/379779718.db2.gz XCUNLWMDJVUMRZ-LSDHHAIUSA-N 2 0 346.497 -0.984 20 0 EBADRP O=S(=O)(CCC[NH+]1CCCC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000631938048 379787427 /nfs/dbraw/zinc/78/74/27/379787427.db2.gz RRVXUECQWWDNQY-OAHLLOKOSA-N 2 0 330.498 -0.218 20 0 EBADRP COC[C@]1(CNS(=O)(=O)CCCN2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000631937255 379787944 /nfs/dbraw/zinc/78/79/44/379787944.db2.gz UPQMJFKITJDJCX-OAHLLOKOSA-N 2 0 348.513 -0.688 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000631942483 379788073 /nfs/dbraw/zinc/78/80/73/379788073.db2.gz YZVXKKPFNUSXIH-LSDHHAIUSA-N 2 0 330.498 -0.363 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCOCCC[NH3+])CC1 ZINC000627212778 379840715 /nfs/dbraw/zinc/84/07/15/379840715.db2.gz BSRUKQWIKCBTPZ-UHFFFAOYSA-N 2 0 343.472 -0.453 20 0 EBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCCOCCC[NH3+])C1 ZINC000627484590 379855650 /nfs/dbraw/zinc/85/56/50/379855650.db2.gz BKFUUMLXVQHAGE-ZIAGYGMSSA-N 2 0 326.441 -0.589 20 0 EBADRP C[C@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@@H]1[NH+](C)C ZINC000632092376 379813663 /nfs/dbraw/zinc/81/36/63/379813663.db2.gz BSVGKIHITHBFOD-GJZGRUSLSA-N 2 0 332.514 -0.164 20 0 EBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCC3([NH3+])CCOCC3)CC2)C1 ZINC000627152858 379818838 /nfs/dbraw/zinc/81/88/38/379818838.db2.gz HMLGBXKPVDCCLS-OAHLLOKOSA-N 2 0 339.484 -0.084 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000627159028 379819014 /nfs/dbraw/zinc/81/90/14/379819014.db2.gz KPWRBKRESMHSEL-SOUVJXGZSA-N 2 0 337.468 -0.020 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000632187580 379825561 /nfs/dbraw/zinc/82/55/61/379825561.db2.gz CMRGKPJRWOAQTO-JKSUJKDBSA-N 2 0 344.525 -0.020 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000632187577 379826023 /nfs/dbraw/zinc/82/60/23/379826023.db2.gz CMRGKPJRWOAQTO-CVEARBPZSA-N 2 0 344.525 -0.020 20 0 EBADRP C[NH+]1CCC(n2cc(NC(=O)NCC(=O)N3CC[NH2+]CC3)cn2)CC1 ZINC000632960754 379919106 /nfs/dbraw/zinc/91/91/06/379919106.db2.gz LFIMQZKBULYIDM-UHFFFAOYSA-N 2 0 349.439 -0.297 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627238376 379919213 /nfs/dbraw/zinc/91/92/13/379919213.db2.gz FZTLWVDAQMYKHI-UONOGXRCSA-N 2 0 325.457 -0.068 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC[NH2+]1 ZINC000633002236 379920289 /nfs/dbraw/zinc/92/02/89/379920289.db2.gz OFOLSACCKXQTAG-GFCCVEGCSA-N 2 0 334.424 -0.091 20 0 EBADRP C[NH+](C)[C@@H]1C[C@H](CNS(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000632536210 379876635 /nfs/dbraw/zinc/87/66/35/379876635.db2.gz JFUHCKLCUBGSRA-GASCZTMLSA-N 2 0 332.514 -0.117 20 0 EBADRP COCC[NH+]1CCC(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000564208024 379977253 /nfs/dbraw/zinc/97/72/53/379977253.db2.gz MOWOWNWLXDJTQC-AWEZNQCLSA-N 2 0 336.440 -0.129 20 0 EBADRP CC[C@H](C(=O)NCC1(NC(=O)[C@@H](CC)[NH+](C)C)COC1)[NH+](C)C ZINC000633917862 379978940 /nfs/dbraw/zinc/97/89/40/379978940.db2.gz XZOZCSIYWDYQJW-CHWSQXEVSA-N 2 0 328.457 -0.332 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633087206 379930946 /nfs/dbraw/zinc/93/09/46/379930946.db2.gz HEJLKTNUYQIZEK-HNNXBMFYSA-N 3 0 341.500 -0.332 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633086557 379931056 /nfs/dbraw/zinc/93/10/56/379931056.db2.gz WVVKBQOUNNHYLG-ZNMIVQPWSA-N 2 0 338.452 -0.482 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633086556 379931105 /nfs/dbraw/zinc/93/11/05/379931105.db2.gz WVVKBQOUNNHYLG-QLFBSQMISA-N 2 0 338.452 -0.482 20 0 EBADRP C[NH+](C)C1CCN(CCNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000545882986 380099799 /nfs/dbraw/zinc/09/97/99/380099799.db2.gz PPSSYZYIFRHRTE-INIZCTEOSA-N 2 0 327.473 -0.622 20 0 EBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000638088428 380112661 /nfs/dbraw/zinc/11/26/61/380112661.db2.gz CQXYZVRCXBZVCZ-DVOMOZLQSA-N 2 0 326.441 -0.543 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638096608 380128212 /nfs/dbraw/zinc/12/82/12/380128212.db2.gz KNFQXZOEBYXJIP-WMLDXEAASA-N 2 0 340.468 -0.199 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000550837214 380260387 /nfs/dbraw/zinc/26/03/87/380260387.db2.gz YPSSRYLTXRCPDQ-HNNXBMFYSA-N 2 0 330.498 -0.050 20 0 EBADRP C[C@]1(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C[NH2+]CCO1 ZINC000638149639 380216946 /nfs/dbraw/zinc/21/69/46/380216946.db2.gz SHYWCYXNSRTYGJ-CKEIUWERSA-N 2 0 338.452 -0.528 20 0 EBADRP C[C@@H](C[NH+](C)C)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000358506859 380236619 /nfs/dbraw/zinc/23/66/19/380236619.db2.gz UKOVNBOXDRMEJQ-KBPBESRZSA-N 2 0 325.457 -0.116 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000246564294 380273986 /nfs/dbraw/zinc/27/39/86/380273986.db2.gz LZLQIWHBPVUBQL-GDBMZVCRSA-N 2 0 330.473 -0.045 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CC[NH+](C)C)CCCO1 ZINC000360918638 380275195 /nfs/dbraw/zinc/27/51/95/380275195.db2.gz JZYCHACAAYTZDZ-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000340221494 380284915 /nfs/dbraw/zinc/28/49/15/380284915.db2.gz XCWMWMYPBHPWSM-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP COc1cnc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nc1 ZINC000565076329 380397992 /nfs/dbraw/zinc/39/79/92/380397992.db2.gz HRROSAMTCXMQFT-UHFFFAOYSA-N 2 0 338.412 -0.625 20 0 EBADRP C[C@@H](CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)C[NH+]1CCN(C)CC1 ZINC000362564385 380411498 /nfs/dbraw/zinc/41/14/98/380411498.db2.gz KERNBHIAQCTRIQ-LSDHHAIUSA-N 2 0 349.483 -0.184 20 0 EBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638497021 380488841 /nfs/dbraw/zinc/48/88/41/380488841.db2.gz YLKRECCQZWGJNS-GWCFXTLKSA-N 2 0 336.358 -0.016 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000340505378 380520495 /nfs/dbraw/zinc/52/04/95/380520495.db2.gz GYZPKZUKYOQMQM-UONOGXRCSA-N 2 0 338.452 -0.576 20 0 EBADRP [NH3+]Cc1ccc(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000638477804 380480208 /nfs/dbraw/zinc/48/02/08/380480208.db2.gz RCSTYQWIIOPAPZ-UHFFFAOYSA-N 2 0 331.420 -0.072 20 0 EBADRP C[NH+](C)[C@H]1CN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000566570438 380482401 /nfs/dbraw/zinc/48/24/01/380482401.db2.gz JAPSPJCHRMEAMT-BQFCYCMXSA-N 2 0 333.432 -0.243 20 0 EBADRP C[NH+](C)[C@H]1CN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000566570440 380482479 /nfs/dbraw/zinc/48/24/79/380482479.db2.gz JAPSPJCHRMEAMT-XYJFISCASA-N 2 0 333.432 -0.243 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000340509939 380524962 /nfs/dbraw/zinc/52/49/62/380524962.db2.gz GKROZZYJQGDHHX-CQSZACIVSA-N 2 0 340.468 -0.377 20 0 EBADRP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000567820047 380546238 /nfs/dbraw/zinc/54/62/38/380546238.db2.gz DVUVZRHHTWLYPF-HNNXBMFYSA-N 2 0 331.420 -0.314 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1CCC[NH+](C)[C@H]1C ZINC000340575662 380550312 /nfs/dbraw/zinc/55/03/12/380550312.db2.gz NHWNFRHPMHTCNX-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000340802984 380633966 /nfs/dbraw/zinc/63/39/66/380633966.db2.gz RSESLCQRMKHQQN-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000569283181 380637537 /nfs/dbraw/zinc/63/75/37/380637537.db2.gz BRWGULHJCNUZED-SFHVURJKSA-N 2 0 347.463 -0.224 20 0 EBADRP O=C(C[C@H]1CSCC[NH2+]1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000371279896 380642391 /nfs/dbraw/zinc/64/23/91/380642391.db2.gz LWWIWFOIASMCLM-GJZGRUSLSA-N 2 0 342.509 -0.396 20 0 EBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000568902170 380623347 /nfs/dbraw/zinc/62/33/47/380623347.db2.gz XOXBTLSCMPPQHD-XWNMQXIPSA-N 2 0 336.436 -0.711 20 0 EBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000573202099 380662226 /nfs/dbraw/zinc/66/22/26/380662226.db2.gz MHEKQMXLECNVGS-HACGYAERSA-N 2 0 338.452 -0.591 20 0 EBADRP C[N@H+](CCNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)C1CC1 ZINC000341165349 380674884 /nfs/dbraw/zinc/67/48/84/380674884.db2.gz WDZLROGPXYQSIS-CYBMUJFWSA-N 2 0 325.457 -0.033 20 0 EBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000573850387 380690509 /nfs/dbraw/zinc/69/05/09/380690509.db2.gz JUKQADLFYIGACE-MRXNPFEDSA-N 2 0 346.479 -0.387 20 0 EBADRP CC(C)[C@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000121161733 380705691 /nfs/dbraw/zinc/70/56/91/380705691.db2.gz LHHUOCKXNQKOIJ-RDJZCZTQSA-N 2 0 343.516 -0.130 20 0 EBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]([NH3+])C2CCC2)c1 ZINC000574277189 380706855 /nfs/dbraw/zinc/70/68/55/380706855.db2.gz MNZJCYDYQMFPST-ZDUSSCGKSA-N 2 0 326.422 -0.011 20 0 EBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000576040583 380755711 /nfs/dbraw/zinc/75/57/11/380755711.db2.gz LXIAQSIVHMWHMB-KGLIPLIRSA-N 2 0 340.468 -0.201 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000343016543 380770092 /nfs/dbraw/zinc/77/00/92/380770092.db2.gz URHXOHVPKKMRQG-CYBMUJFWSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH+](C)CCN(Cc1ccco1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000580540255 380767974 /nfs/dbraw/zinc/76/79/74/380767974.db2.gz UPJWVNRNBYPBDO-UHFFFAOYSA-N 2 0 337.424 -0.215 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H](O)Cc2cccc(F)c2)CC1 ZINC000575401429 380738975 /nfs/dbraw/zinc/73/89/75/380738975.db2.gz YCNINOJQLRPXCR-IAGOWNOFSA-N 2 0 325.428 -0.073 20 0 EBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000418288037 380771042 /nfs/dbraw/zinc/77/10/42/380771042.db2.gz ALWMRGFBYXFVDE-CABCVRRESA-N 2 0 327.473 -0.622 20 0 EBADRP COC(=O)C[C@H]([NH3+])C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000576939890 380790294 /nfs/dbraw/zinc/79/02/94/380790294.db2.gz PAUWUBJWXWDFGR-INIZCTEOSA-N 2 0 348.447 -0.189 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)NCCN2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000416937742 380797034 /nfs/dbraw/zinc/79/70/34/380797034.db2.gz DLESFKUPPHOVRC-HUUCEWRRSA-N 2 0 327.473 -0.310 20 0 EBADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000577085868 380801490 /nfs/dbraw/zinc/80/14/90/380801490.db2.gz LTKWMLHHVBFQKN-CYBMUJFWSA-N 2 0 326.441 -0.576 20 0 EBADRP CC1CC[NH+](C[C@H](O)CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000580645097 380806278 /nfs/dbraw/zinc/80/62/78/380806278.db2.gz SYTPVHQXNMNFTR-CABCVRRESA-N 2 0 340.468 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CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000417432240 380885749 /nfs/dbraw/zinc/88/57/49/380885749.db2.gz SNMPUIVVYILYDJ-UONOGXRCSA-N 2 0 325.457 -0.020 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417429816 380885806 /nfs/dbraw/zinc/88/58/06/380885806.db2.gz NWNYAHGVXACMGU-KBPBESRZSA-N 2 0 325.457 -0.034 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417429819 380885988 /nfs/dbraw/zinc/88/59/88/380885988.db2.gz NWNYAHGVXACMGU-ZIAGYGMSSA-N 2 0 325.457 -0.034 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417431639 380887148 /nfs/dbraw/zinc/88/71/48/380887148.db2.gz RJVOGXHKHSCQGV-KBPBESRZSA-N 2 0 325.457 -0.034 20 0 EBADRP CC[C@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC[N@@H+]1CCOC ZINC000580704533 380897031 /nfs/dbraw/zinc/89/70/31/380897031.db2.gz JEBURLFZVUBAEF-GJZGRUSLSA-N 2 0 327.473 -0.358 20 0 EBADRP CC[NH+](C)CCNC(=O)[C@@H]1CC[C@H](C(=O)NCC[N@@H+](C)CC)O1 ZINC000189498601 380905146 /nfs/dbraw/zinc/90/51/46/380905146.db2.gz HCHITGZLZNCSSP-OKILXGFUSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000578226384 380912806 /nfs/dbraw/zinc/91/28/06/380912806.db2.gz KLXZOFLUTLCUMJ-ZIAGYGMSSA-N 2 0 325.457 -0.162 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000578338101 380923039 /nfs/dbraw/zinc/92/30/39/380923039.db2.gz JVOAFOOCSMKYQP-UHFFFAOYSA-N 2 0 342.484 -0.083 20 0 EBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000578988502 380963502 /nfs/dbraw/zinc/96/35/02/380963502.db2.gz NCZGRANJQBTTBK-MCIONIFRSA-N 2 0 340.468 -0.060 20 0 EBADRP Cc1cnccc1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000579337652 380981724 /nfs/dbraw/zinc/98/17/24/380981724.db2.gz SXJLJEAHCHMTML-UHFFFAOYSA-N 2 0 335.452 -0.042 20 0 EBADRP Cn1cc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(=O)n(C)c1=O ZINC000377628084 380982865 /nfs/dbraw/zinc/98/28/65/380982865.db2.gz NXNZEPWPQXLHQO-MRXNPFEDSA-N 2 0 349.479 -0.316 20 0 EBADRP C[NH+](C)CCC1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000578505538 380934461 /nfs/dbraw/zinc/93/44/61/380934461.db2.gz NBFAAUZKXIHPDG-UHFFFAOYSA-N 2 0 325.457 -0.209 20 0 EBADRP O=C(C[C@]1(C(=O)N2CCC[NH2+]CC2)CC[NH2+]C1)N1CCC[NH2+]CC1 ZINC000579355088 380984385 /nfs/dbraw/zinc/98/43/85/380984385.db2.gz OVZHWMZIVKTOOW-QGZVFWFLSA-N 3 0 337.468 -1.000 20 0 EBADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000579973716 381029279 /nfs/dbraw/zinc/02/92/79/381029279.db2.gz IJIGIRROCWFPOZ-MGPQQGTHSA-N 2 0 325.457 -0.084 20 0 EBADRP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)NC2C[NH2+]C2)cc1 ZINC000579573118 380996036 /nfs/dbraw/zinc/99/60/36/380996036.db2.gz SZRVOPYLVHXDFG-UHFFFAOYSA-N 2 0 334.420 -0.279 20 0 EBADRP CC1CC[NH+](CCCNC(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000579690539 381007035 /nfs/dbraw/zinc/00/70/35/381007035.db2.gz DTHYMXWRNFIAFN-UHFFFAOYSA-N 2 0 325.457 -0.161 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000582737491 381062474 /nfs/dbraw/zinc/06/24/74/381062474.db2.gz CYJOPRCLLBZNPR-UHFFFAOYSA-N 2 0 348.451 -0.743 20 0 EBADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)[C@@H]1n1cccn1 ZINC000581365448 381069948 /nfs/dbraw/zinc/06/99/48/381069948.db2.gz SKYLJUMXOCQKJI-NXOAAHMSSA-N 2 0 337.468 -0.201 20 0 EBADRP C[N@H+](CCNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)C1CC1 ZINC000074345153 381039065 /nfs/dbraw/zinc/03/90/65/381039065.db2.gz WDZLROGPXYQSIS-ZDUSSCGKSA-N 2 0 325.457 -0.033 20 0 EBADRP C[N@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000580942678 381044698 /nfs/dbraw/zinc/04/46/98/381044698.db2.gz NAOSFPLBABUSNE-MRXNPFEDSA-N 2 0 345.447 -0.018 20 0 EBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000642439960 381094315 /nfs/dbraw/zinc/09/43/15/381094315.db2.gz UAPBBXLPXPLJBG-KBPBESRZSA-N 2 0 326.441 -0.528 20 0 EBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000642439961 381095160 /nfs/dbraw/zinc/09/51/60/381095160.db2.gz UAPBBXLPXPLJBG-KGLIPLIRSA-N 2 0 326.441 -0.528 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000418398034 381122706 /nfs/dbraw/zinc/12/27/06/381122706.db2.gz DSFIOFHXZHHKRN-CQSZACIVSA-N 2 0 325.457 -0.081 20 0 EBADRP C[NH+]1CCN(c2ccc(NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)nc2)CC1 ZINC000583142475 381103602 /nfs/dbraw/zinc/10/36/02/381103602.db2.gz YBKMMAFOMRLMGK-CQSZACIVSA-N 2 0 346.435 -0.360 20 0 EBADRP CC[NH+]1CCC(NC(=O)C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)CC1 ZINC000639949634 381157429 /nfs/dbraw/zinc/15/74/29/381157429.db2.gz LUHGDCMOKHQUPB-IAGOWNOFSA-N 2 0 336.436 -0.429 20 0 EBADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000418391398 381123820 /nfs/dbraw/zinc/12/38/20/381123820.db2.gz VKKOLSOCEPVMOP-HOTGVXAUSA-N 2 0 347.463 -0.063 20 0 EBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000583865569 381180269 /nfs/dbraw/zinc/18/02/69/381180269.db2.gz KODRTGZALQIHQU-HNNXBMFYSA-N 3 0 341.500 -0.509 20 0 EBADRP O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)NC[C@@H]1C[NH2+]CCO1 ZINC000418757155 381261696 /nfs/dbraw/zinc/26/16/96/381261696.db2.gz DJWRYHHSRWMPEL-IKGGRYGDSA-N 2 0 348.447 -0.091 20 0 EBADRP O=C(NC[C@H]1C[NH2+]CCO1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418774844 381265060 /nfs/dbraw/zinc/26/50/60/381265060.db2.gz VWWVHIZTYKSKKQ-AEFFLSMTSA-N 2 0 348.447 -0.089 20 0 EBADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000418855285 381306179 /nfs/dbraw/zinc/30/61/79/381306179.db2.gz URNNPCHUYFUMOL-JKSUJKDBSA-N 2 0 348.447 -0.538 20 0 EBADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1cccs1 ZINC000418836498 381291014 /nfs/dbraw/zinc/29/10/14/381291014.db2.gz RHJMBHWRRCNBIR-NWDGAFQWSA-N 2 0 340.449 -0.347 20 0 EBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000347958497 381294353 /nfs/dbraw/zinc/29/43/53/381294353.db2.gz FXCCZIJVCDNMQR-AWEZNQCLSA-N 2 0 327.473 -0.851 20 0 EBADRP CC[N@H+](CCO)CCNC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000347808075 381277521 /nfs/dbraw/zinc/27/75/21/381277521.db2.gz NTOGKFGFIBAYBM-UHFFFAOYSA-N 2 0 335.452 -0.123 20 0 EBADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000564064833 381322968 /nfs/dbraw/zinc/32/29/68/381322968.db2.gz LYLOVANEULJEHZ-UHFFFAOYSA-N 2 0 339.484 -0.659 20 0 EBADRP CCC[NH2+]CCNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000418877206 381326655 /nfs/dbraw/zinc/32/66/55/381326655.db2.gz IGSAYXZZZICGSY-CQSZACIVSA-N 2 0 328.457 -0.281 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000418921502 381342324 /nfs/dbraw/zinc/34/23/24/381342324.db2.gz LWJWTAVZQAWOIQ-KBPBESRZSA-N 2 0 326.441 -0.672 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000418923848 381342353 /nfs/dbraw/zinc/34/23/53/381342353.db2.gz OMHKHXVIXAMRBE-YOEHRIQHSA-N 2 0 340.468 -0.343 20 0 EBADRP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000347974893 381315593 /nfs/dbraw/zinc/31/55/93/381315593.db2.gz WDFCDHDKJZCZMH-CQSZACIVSA-N 2 0 327.473 -0.804 20 0 EBADRP CC(C)OCCN1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000348211342 381344253 /nfs/dbraw/zinc/34/42/53/381344253.db2.gz SCGKNQSSSLHWDH-MRXNPFEDSA-N 2 0 341.500 -0.016 20 0 EBADRP CC(C)OCCN1CCN(C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000348211341 381344383 /nfs/dbraw/zinc/34/43/83/381344383.db2.gz SCGKNQSSSLHWDH-INIZCTEOSA-N 2 0 341.500 -0.016 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC[NH2+]1 ZINC000418955584 381350307 /nfs/dbraw/zinc/35/03/07/381350307.db2.gz QSELCPHTIDWOCD-ZDUSSCGKSA-N 2 0 349.435 -0.542 20 0 EBADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419033172 381357725 /nfs/dbraw/zinc/35/77/25/381357725.db2.gz XZQLGNZNHHCHBY-LXTVHRRPSA-N 2 0 340.468 -0.345 20 0 EBADRP COc1nc(NCC2([NH+](C)C)CC2)nc(NCC2([NH+](C)C)CC2)n1 ZINC000419010470 381362577 /nfs/dbraw/zinc/36/25/77/381362577.db2.gz PSPSXRKAQZGCTF-UHFFFAOYSA-N 2 0 335.456 -0.264 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000419184435 381403970 /nfs/dbraw/zinc/40/39/70/381403970.db2.gz FTDIEZOTMVXPQE-UHFFFAOYSA-N 2 0 339.484 -0.661 20 0 EBADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)CC(C)C ZINC000419128001 381388192 /nfs/dbraw/zinc/38/81/92/381388192.db2.gz UNFAPLLLSBMHRV-HUUCEWRRSA-N 2 0 342.484 -0.036 20 0 EBADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000419133641 381389159 /nfs/dbraw/zinc/38/91/59/381389159.db2.gz GEAWEZXSYPULPU-CQSZACIVSA-N 2 0 334.420 -0.197 20 0 EBADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419168095 381390227 /nfs/dbraw/zinc/39/02/27/381390227.db2.gz JZTIWCFIHGWUTJ-GJZGRUSLSA-N 2 0 340.468 -0.057 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000419134414 381392651 /nfs/dbraw/zinc/39/26/51/381392651.db2.gz HMYLZBGTLVCYHA-CABCVRRESA-N 2 0 340.468 -0.343 20 0 EBADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)C(C)(C)C ZINC000419134494 381393385 /nfs/dbraw/zinc/39/33/85/381393385.db2.gz KCDSLTAAFCFJJR-STQMWFEESA-N 2 0 328.457 -0.345 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[NH+]1CCC(C)CC1 ZINC000419145783 381397919 /nfs/dbraw/zinc/39/79/19/381397919.db2.gz HCEYUCKGKUHRNS-CABCVRRESA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000419187808 381403269 /nfs/dbraw/zinc/40/32/69/381403269.db2.gz RNPYFFXCDDUWIK-UONOGXRCSA-N 2 0 339.484 -0.663 20 0 EBADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000419401296 381426289 /nfs/dbraw/zinc/42/62/89/381426289.db2.gz APBHHIXKQXPQOJ-KBPBESRZSA-N 2 0 328.457 -0.750 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419539073 381450416 /nfs/dbraw/zinc/45/04/16/381450416.db2.gz PLFVOHYUJGODKH-HUUCEWRRSA-N 2 0 340.468 -0.281 20 0 EBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000419407259 381429042 /nfs/dbraw/zinc/42/90/42/381429042.db2.gz JYHVRAZQHGLZSF-RBSFLKMASA-N 2 0 340.468 -0.343 20 0 EBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000419536401 381450649 /nfs/dbraw/zinc/45/06/49/381450649.db2.gz MFCQWPGXEXFYAI-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)[C@H](C[NH3+])C1 ZINC000419419942 381433957 /nfs/dbraw/zinc/43/39/57/381433957.db2.gz JKRAVPDVVHIJBE-QLFBSQMISA-N 2 0 340.468 -0.058 20 0 EBADRP COC[C@@]1(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC[NH2+]C1 ZINC000417828051 381445603 /nfs/dbraw/zinc/44/56/03/381445603.db2.gz PZTLFOYCUJCQRU-WCQYABFASA-N 2 0 338.374 -0.435 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419533809 381448103 /nfs/dbraw/zinc/44/81/03/381448103.db2.gz JEHJQGUSMSKCMZ-CQSZACIVSA-N 2 0 340.468 -0.009 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419529719 381448279 /nfs/dbraw/zinc/44/82/79/381448279.db2.gz DICVRLNNTQGCOM-CYBMUJFWSA-N 2 0 328.457 -0.343 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000419532024 381448917 /nfs/dbraw/zinc/44/89/17/381448917.db2.gz GOCKDDJEUBKBSH-SOUVJXGZSA-N 2 0 340.468 -0.201 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419694307 381472122 /nfs/dbraw/zinc/47/21/22/381472122.db2.gz KLGHHEJQRGQLFG-CYBMUJFWSA-N 2 0 326.441 -0.528 20 0 EBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000419721349 381479116 /nfs/dbraw/zinc/47/91/16/381479116.db2.gz GWFLPXWCHXWPTD-HNNXBMFYSA-N 2 0 337.468 -0.859 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000419724859 381480760 /nfs/dbraw/zinc/48/07/60/381480760.db2.gz HPLDSVLLIPVZTQ-LSDHHAIUSA-N 2 0 340.468 -0.153 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000419574765 381454917 /nfs/dbraw/zinc/45/49/17/381454917.db2.gz ABBDQCSFULTPRV-JMSVASOKSA-N 2 0 328.482 -0.346 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)[C@@H](C)C[NH2+]1 ZINC000419585386 381460170 /nfs/dbraw/zinc/46/01/70/381460170.db2.gz NEERCOPJTCMNAR-TYNCELHUSA-N 2 0 328.482 -0.251 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419595731 381461831 /nfs/dbraw/zinc/46/18/31/381461831.db2.gz XBQXNGPAAZQJQA-KGLIPLIRSA-N 2 0 326.441 -0.447 20 0 EBADRP CC(C)[NH+](CCCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)C(C)C ZINC000419662138 381466705 /nfs/dbraw/zinc/46/67/05/381466705.db2.gz GXTLVDIJYNHNEW-AWEZNQCLSA-N 2 0 328.457 -0.284 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000419672635 381468614 /nfs/dbraw/zinc/46/86/14/381468614.db2.gz GMMSRZRJRVWXPF-KGLIPLIRSA-N 2 0 328.457 -0.295 20 0 EBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000419683419 381470143 /nfs/dbraw/zinc/47/01/43/381470143.db2.gz KSPCUQSSCAKRLQ-AWEZNQCLSA-N 2 0 338.452 -0.432 20 0 EBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000349917319 381492551 /nfs/dbraw/zinc/49/25/51/381492551.db2.gz RQXZHULHDURLHY-OAHLLOKOSA-N 2 0 341.500 -0.374 20 0 EBADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419783965 381493819 /nfs/dbraw/zinc/49/38/19/381493819.db2.gz WCMIKOCWUQRGLU-KBPBESRZSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CCCCC1 ZINC000419810829 381496945 /nfs/dbraw/zinc/49/69/45/381496945.db2.gz IBSAVNHYJWKQFA-ZDUSSCGKSA-N 2 0 326.441 -0.447 20 0 EBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000419822640 381498794 /nfs/dbraw/zinc/49/87/94/381498794.db2.gz WZUHXRAOQRJYLY-CABCVRRESA-N 2 0 334.420 -0.408 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NCC[NH3+])CC1 ZINC000419831260 381499664 /nfs/dbraw/zinc/49/96/64/381499664.db2.gz HHMIQNUUNZEVPA-OKILXGFUSA-N 2 0 325.457 -0.922 20 0 EBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCCC[NH3+])CC1 ZINC000419832861 381500117 /nfs/dbraw/zinc/50/01/17/381500117.db2.gz KIMGSRWKDJWNGO-AWEZNQCLSA-N 2 0 325.457 -0.920 20 0 EBADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCCC[NH3+] ZINC000419840168 381501053 /nfs/dbraw/zinc/50/10/53/381501053.db2.gz RVAXLYRVFLPGFL-GOSISDBHSA-N 2 0 348.447 -0.453 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCC2([NH3+])CCC2)C[C@H](C)O1 ZINC000420098261 381540734 /nfs/dbraw/zinc/54/07/34/381540734.db2.gz WVKXUGAFNSJWSJ-BETUJISGSA-N 2 0 326.441 -0.401 20 0 EBADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000420115580 381542688 /nfs/dbraw/zinc/54/26/88/381542688.db2.gz KKMVQAFUKKNCEV-UONOGXRCSA-N 2 0 328.457 -0.425 20 0 EBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000419974495 381522884 /nfs/dbraw/zinc/52/28/84/381522884.db2.gz IKXMLEPMJZTMDN-KGLIPLIRSA-N 2 0 342.484 -0.220 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)c1 ZINC000420081423 381536553 /nfs/dbraw/zinc/53/65/53/381536553.db2.gz SUXUJSVYMURZTK-UHFFFAOYSA-N 2 0 335.408 -0.408 20 0 EBADRP CC(C)Nc1nc(NC[C@H]2[NH2+]CCCC2(C)C)nc(NCCO)[nH+]1 ZINC000420249240 381573602 /nfs/dbraw/zinc/57/36/02/381573602.db2.gz XYINDBQFKFGOQE-GFCCVEGCSA-N 2 0 337.472 -0.448 20 0 EBADRP COCCCNC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420304082 381578338 /nfs/dbraw/zinc/57/83/38/381578338.db2.gz XWQONIOOADLAFQ-AWEZNQCLSA-N 2 0 326.441 -0.717 20 0 EBADRP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420347733 381578703 /nfs/dbraw/zinc/57/87/03/381578703.db2.gz HXZNKCQBFDYRPU-KBPBESRZSA-N 2 0 325.457 -0.164 20 0 EBADRP C[C@@H](O)C1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000582227323 381621213 /nfs/dbraw/zinc/62/12/13/381621213.db2.gz DGXQLKFPNBNOEW-CQSZACIVSA-N 2 0 342.484 -0.442 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000351676596 381662720 /nfs/dbraw/zinc/66/27/20/381662720.db2.gz UTDXPGBNPPOTEL-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262156566 381672780 /nfs/dbraw/zinc/67/27/80/381672780.db2.gz PMYUYNJFYHTTOZ-CQSZACIVSA-N 2 0 346.497 -0.398 20 0 EBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000332116036 381750918 /nfs/dbraw/zinc/75/09/18/381750918.db2.gz XFPOUDYQOILVGY-RBSFLKMASA-N 2 0 337.468 -0.957 20 0 EBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000332116035 381751394 /nfs/dbraw/zinc/75/13/94/381751394.db2.gz XFPOUDYQOILVGY-QLFBSQMISA-N 2 0 337.468 -0.957 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCn1nc2ccccn2c1=O ZINC000116752614 381782897 /nfs/dbraw/zinc/78/28/97/381782897.db2.gz WSRDICCXNUHTQM-UHFFFAOYSA-N 2 0 348.451 -0.162 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C[C@H]1[NH3+] ZINC000332250146 381767928 /nfs/dbraw/zinc/76/79/28/381767928.db2.gz CGCPGAKEHZSXNB-UKRRQHHQSA-N 2 0 338.452 -0.637 20 0 EBADRP C[C@H]1C[C@@H](C[NH+]2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC[NH2+]1 ZINC000332552962 381813374 /nfs/dbraw/zinc/81/33/74/381813374.db2.gz QYTPXWMPHCGUBO-GJZGRUSLSA-N 2 0 338.452 -0.623 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000352013293 381858467 /nfs/dbraw/zinc/85/84/67/381858467.db2.gz IKEAXERZUPVUPL-NFAWXSAZSA-N 2 0 328.457 -0.299 20 0 EBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000626848590 381899061 /nfs/dbraw/zinc/89/90/61/381899061.db2.gz RIHFCKKKWZADAW-AWEZNQCLSA-N 2 0 347.419 -0.460 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CCO1 ZINC000643503546 381914697 /nfs/dbraw/zinc/91/46/97/381914697.db2.gz VOVARWKMURPGGA-HNNXBMFYSA-N 2 0 338.452 -0.351 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cn1 ZINC000626901103 381926401 /nfs/dbraw/zinc/92/64/01/381926401.db2.gz MJTZPIKCWJJSEY-CALCHBBNSA-N 2 0 348.451 -0.159 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000643509546 381928305 /nfs/dbraw/zinc/92/83/05/381928305.db2.gz PHBVVUOGUIZANL-GJZGRUSLSA-N 3 0 339.484 -0.851 20 0 EBADRP CN(CCC[NH+](C)C)CCNC(=O)c1cn(C)c2c(cnn2C)c1=O ZINC000617764285 381971085 /nfs/dbraw/zinc/97/10/85/381971085.db2.gz QOQCWBCVAYYILG-UHFFFAOYSA-N 2 0 348.451 -0.115 20 0 EBADRP Cc1oc(C(=O)NCCN(C)CCC[NH+](C)C)cc1S(N)(=O)=O ZINC000617765639 381971465 /nfs/dbraw/zinc/97/14/65/381971465.db2.gz KPCGVLCAOYLVAX-UHFFFAOYSA-N 2 0 346.453 -0.151 20 0 EBADRP C[C@@H]1CN(C(=O)NCCN2CC[NH2+]CC2)CC[N@@H+]1CC(C)(C)O ZINC000333684927 381950111 /nfs/dbraw/zinc/95/01/11/381950111.db2.gz PEEVGAZADAEWJZ-CQSZACIVSA-N 2 0 327.473 -0.622 20 0 EBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)CCC[NH+]2CCCC2)CCO1 ZINC000643514919 382011490 /nfs/dbraw/zinc/01/14/90/382011490.db2.gz GAOIFTFDKLZTME-ZIAGYGMSSA-N 2 0 326.441 -0.495 20 0 EBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000643516786 382021807 /nfs/dbraw/zinc/02/18/07/382021807.db2.gz VCADIJJVACKIFX-BZUAXINKSA-N 2 0 349.479 -0.812 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])[NH+]1CCC(C)CC1 ZINC000563946426 382093628 /nfs/dbraw/zinc/09/36/28/382093628.db2.gz BKDUUCRWMMCKOK-GJZGRUSLSA-N 2 0 339.484 -0.676 20 0 EBADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000446100963 382176060 /nfs/dbraw/zinc/17/60/60/382176060.db2.gz RJHSVVBXFVMVCY-SFHVURJKSA-N 2 0 348.447 -0.088 20 0 EBADRP CNC(=O)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299588791 155162543 /nfs/dbraw/zinc/16/25/43/155162543.db2.gz SMHWOUFDVPMECM-UHFFFAOYSA-N 2 0 334.424 -0.361 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CCSC1 ZINC000331406185 155367636 /nfs/dbraw/zinc/36/76/36/155367636.db2.gz BDCPMGAOOSPNMK-IOASZLSFSA-N 2 0 340.493 -0.392 20 0 EBADRP CC(C)[C@H](C[NH2+]Cc1cn(C)c(=O)n(C)c1=O)N1CC[NH+](C)CC1 ZINC000236684430 154167472 /nfs/dbraw/zinc/16/74/72/154167472.db2.gz MOGJKZAUPNTKEZ-HNNXBMFYSA-N 2 0 337.468 -0.554 20 0 EBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCn2nc3ccccn3c2=O)C1 ZINC000261597631 154194019 /nfs/dbraw/zinc/19/40/19/154194019.db2.gz ADWLVIIUHIQTKK-ZDUSSCGKSA-N 2 0 332.408 -0.717 20 0 EBADRP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261652301 154196379 /nfs/dbraw/zinc/19/63/79/154196379.db2.gz JTDFSBUTGUUVOC-OLZOCXBDSA-N 2 0 339.440 -0.588 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000261692382 154197449 /nfs/dbraw/zinc/19/74/49/154197449.db2.gz NXUCLCCBOSMHTL-INIZCTEOSA-N 2 0 340.468 -0.343 20 0 EBADRP CS(=O)(=O)NCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261942269 154206217 /nfs/dbraw/zinc/20/62/17/154206217.db2.gz XSVBDPYJLHSCBO-OLZOCXBDSA-N 2 0 332.470 -0.884 20 0 EBADRP CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262166051 154217406 /nfs/dbraw/zinc/21/74/06/154217406.db2.gz QCYOVOWIOGTSFE-CYBMUJFWSA-N 2 0 332.470 -0.788 20 0 EBADRP COC[C@H]([NH3+])C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000262336589 154224159 /nfs/dbraw/zinc/22/41/59/154224159.db2.gz SGGMYRKALWJXSQ-ZDUSSCGKSA-N 2 0 328.457 -0.297 20 0 EBADRP C[NH+]1CCN(c2ccc(CNC(=O)C[C@H]3COCC[NH2+]3)cn2)CC1 ZINC000262386218 154228172 /nfs/dbraw/zinc/22/81/72/154228172.db2.gz NQFPERPADVROOW-HNNXBMFYSA-N 2 0 333.436 -0.172 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000263248069 154256669 /nfs/dbraw/zinc/25/66/69/154256669.db2.gz NOXVANPPEJEYMT-INIZCTEOSA-N 2 0 341.500 -0.524 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000265407589 154316408 /nfs/dbraw/zinc/31/64/08/154316408.db2.gz WEYRCYHZOKDTDG-UHFFFAOYSA-N 2 0 346.391 -0.100 20 0 EBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1COC(=O)N1 ZINC000294725861 155063484 /nfs/dbraw/zinc/06/34/84/155063484.db2.gz ZZMFGUACGDFKDX-AWEZNQCLSA-N 2 0 333.392 -0.182 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](CCOC)C1 ZINC000342046408 156000615 /nfs/dbraw/zinc/00/06/15/156000615.db2.gz VPDQURNCYZXXJS-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP Cn1c2ncn(CC[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000342090288 156007032 /nfs/dbraw/zinc/00/70/32/156007032.db2.gz SOOTYAPIMUAIAD-XQQFMLRXSA-N 2 0 346.435 -0.507 20 0 EBADRP COCCOC1CC[NH+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000342427492 156034675 /nfs/dbraw/zinc/03/46/75/156034675.db2.gz ATUYWNRTDLXQDU-CQSZACIVSA-N 2 0 327.425 -0.197 20 0 EBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000343143130 156105089 /nfs/dbraw/zinc/10/50/89/156105089.db2.gz OJTHFXMOMSAWNA-CABCVRRESA-N 2 0 342.484 -0.083 20 0 EBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000343893480 156179935 /nfs/dbraw/zinc/17/99/35/156179935.db2.gz QYWUAKUNVSXHHX-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH+](CCOC)C2)CC1 ZINC000343908321 156183611 /nfs/dbraw/zinc/18/36/11/156183611.db2.gz IZZAMVNPNUFBNO-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000344474445 156231185 /nfs/dbraw/zinc/23/11/85/156231185.db2.gz LGHKUXZFNQXVJT-AWEZNQCLSA-N 2 0 348.451 -0.582 20 0 EBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000344641868 156250100 /nfs/dbraw/zinc/25/01/00/156250100.db2.gz PFEUHRQEWDUXPU-UHFFFAOYSA-N 2 0 342.484 -0.393 20 0 EBADRP CCOC(=O)[C@](C)(O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000345201279 156310434 /nfs/dbraw/zinc/31/04/34/156310434.db2.gz PGGLBPQYMKACHI-MRXNPFEDSA-N 2 0 329.441 -0.310 20 0 EBADRP C[C@@H]1COCCN1CCNC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000355896996 157031252 /nfs/dbraw/zinc/03/12/52/157031252.db2.gz ZUOUTHIKGUWTRG-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+]1CCN(CCOc2ccc(NC(=O)[C@H]3C[C@H](O)C[NH2+]3)cc2)CC1 ZINC000357917088 157187003 /nfs/dbraw/zinc/18/70/03/157187003.db2.gz IMRLBYZPHXMKLG-DOTOQJQBSA-N 2 0 348.447 -0.026 20 0 EBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000357931889 157190577 /nfs/dbraw/zinc/19/05/77/157190577.db2.gz XCKFZHASPZNZCO-KBPBESRZSA-N 2 0 340.468 -0.548 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000358564651 157261896 /nfs/dbraw/zinc/26/18/96/157261896.db2.gz SDQWYIOONCCOJD-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000358727387 157275105 /nfs/dbraw/zinc/27/51/05/157275105.db2.gz VXBUCOFVZVDIEG-MRXNPFEDSA-N 2 0 328.457 -0.147 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)N1CCN(CCOC)CC1)C1CC1 ZINC000359253602 157307081 /nfs/dbraw/zinc/30/70/81/157307081.db2.gz SBCFHBLAFKUPKS-UHFFFAOYSA-N 2 0 326.441 -0.623 20 0 EBADRP O=C(CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCN(c2ncccn2)CC1 ZINC000359269850 157308066 /nfs/dbraw/zinc/30/80/66/157308066.db2.gz DIVAZWMTDHMZFI-GASCZTMLSA-N 2 0 330.436 -0.334 20 0 EBADRP C[C@H](CNC(=O)C(=O)NCCOCC[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000360277336 157371352 /nfs/dbraw/zinc/37/13/52/157371352.db2.gz AXQSKLWZAOUOFV-HUUCEWRRSA-N 2 0 342.484 -0.083 20 0 EBADRP CN(C(=O)C(=O)NCCOCC[NH+](C)C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000360280585 157371438 /nfs/dbraw/zinc/37/14/38/157371438.db2.gz XANXWZWOYNFURM-AWEZNQCLSA-N 2 0 326.441 -0.624 20 0 EBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000360278391 157371486 /nfs/dbraw/zinc/37/14/86/157371486.db2.gz IWAYSNNMKUCPAS-OCCSQVGLSA-N 2 0 326.441 -0.720 20 0 EBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000418936811 418948873 /nfs/dbraw/zinc/94/88/73/418948873.db2.gz KJOVPPNGDPMGQB-MELADBBJSA-N 2 0 328.457 -0.202 20 0 EBADRP COCCN1C[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1=O ZINC000530641799 418965067 /nfs/dbraw/zinc/96/50/67/418965067.db2.gz NOJYWADTHBTBQS-AWEZNQCLSA-N 2 0 328.457 -0.567 20 0 EBADRP CC[NH+]1CCC(NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000650569529 419027062 /nfs/dbraw/zinc/02/70/62/419027062.db2.gz ZGPHLRLIXRCGRO-UHFFFAOYSA-N 2 0 325.457 -0.114 20 0 EBADRP C[C@H](O)CN1CCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)CC1 ZINC000410471335 419030564 /nfs/dbraw/zinc/03/05/64/419030564.db2.gz GBJKZHBOGSSLKW-KGLIPLIRSA-N 2 0 326.441 -0.936 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000410503145 419035530 /nfs/dbraw/zinc/03/55/30/419035530.db2.gz MCCOKHWQUCQJMC-OAHLLOKOSA-N 2 0 338.452 -0.504 20 0 EBADRP CN1CCC([NH+]2CCC(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)CC1 ZINC000653113962 418987660 /nfs/dbraw/zinc/98/76/60/418987660.db2.gz SMUPUQOPLQKHDC-KSSFIOAISA-N 2 0 336.480 -0.103 20 0 EBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@@H](N)CC[NH+](C)C)c1 ZINC000653114063 418987798 /nfs/dbraw/zinc/98/77/98/418987798.db2.gz XCJMMXZRLKFDIV-INIZCTEOSA-N 2 0 349.479 -0.127 20 0 EBADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000665760298 419009924 /nfs/dbraw/zinc/00/99/24/419009924.db2.gz FPNJQLYBRCGQEL-GOEBONIOSA-N 2 0 329.489 -0.376 20 0 EBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000652695487 419180509 /nfs/dbraw/zinc/18/05/09/419180509.db2.gz VQXXERHREFHVIJ-UHFFFAOYSA-N 2 0 339.484 -0.658 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652671852 419247059 /nfs/dbraw/zinc/24/70/59/419247059.db2.gz QLUGWRZQSWTEIA-AAVRWANBSA-N 2 0 326.441 -0.593 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)C[C@H]1C[NH3+] ZINC000652686662 419255709 /nfs/dbraw/zinc/25/57/09/419255709.db2.gz MEFWSNQELZPOES-YRGRVCCFSA-N 2 0 326.441 -0.593 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C[C@H]1C[NH3+] ZINC000652687955 419259798 /nfs/dbraw/zinc/25/97/98/419259798.db2.gz RHWLMDLWUNQXBF-QLFBSQMISA-N 2 0 338.452 -0.591 20 0 EBADRP O=C([C@H]1C[NH2+]CCC1(F)F)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000647692213 419209611 /nfs/dbraw/zinc/20/96/11/419209611.db2.gz DREALZKKSCIPAQ-QWHCGFSZSA-N 2 0 344.406 -0.098 20 0 EBADRP O=C([C@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)C1)N1CC[NH2+]CC1 ZINC000647692214 419210161 /nfs/dbraw/zinc/21/01/61/419210161.db2.gz DREALZKKSCIPAQ-STQMWFEESA-N 2 0 344.406 -0.098 20 0 EBADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)NCCN3CC[NH2+]CC3)C2)C1 ZINC000652201754 419231031 /nfs/dbraw/zinc/23/10/31/419231031.db2.gz OSAODVOAEKBCFR-BZUAXINKSA-N 2 0 339.484 -0.181 20 0 EBADRP C[C@@H](C(=O)NC[C@@H]1CN(C(=O)[C@H](C)[NH+](C)C)CCN1C)[NH+](C)C ZINC000652497930 419239025 /nfs/dbraw/zinc/23/90/25/419239025.db2.gz SLYDINRZRVVJFF-MELADBBJSA-N 2 0 327.473 -0.855 20 0 EBADRP C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@H]1C[NH3+] ZINC000652624593 419241236 /nfs/dbraw/zinc/24/12/36/419241236.db2.gz LACNBEGMTIOFNQ-QWHCGFSZSA-N 2 0 336.440 -0.174 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC000652629589 419241675 /nfs/dbraw/zinc/24/16/75/419241675.db2.gz NMGHIGQTLILJKV-GUYCJALGSA-N 2 0 348.451 -0.029 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cn1 ZINC000652623217 419241983 /nfs/dbraw/zinc/24/19/83/419241983.db2.gz CSFXBRTWESZTDI-TZMCWYRMSA-N 2 0 334.424 -0.406 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000652622181 419242025 /nfs/dbraw/zinc/24/20/25/419242025.db2.gz COWMMMLVSKOCKX-QEJZJMRPSA-N 2 0 348.451 -0.031 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)cn1 ZINC000652623207 419242056 /nfs/dbraw/zinc/24/20/56/419242056.db2.gz CQDVOQKEYPAOEB-ZDUSSCGKSA-N 2 0 336.440 -0.029 20 0 EBADRP CN1CCO[C@H](C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000246503201 419287155 /nfs/dbraw/zinc/28/71/55/419287155.db2.gz SQIBVFQKDGUNPS-SJORKVTESA-N 2 0 333.432 -0.148 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)C1 ZINC000645233286 419300323 /nfs/dbraw/zinc/30/03/23/419300323.db2.gz KWYPNQORCPCCCY-KBPBESRZSA-N 2 0 341.456 -0.532 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H]1C[NH3+] ZINC000652728860 419323589 /nfs/dbraw/zinc/32/35/89/419323589.db2.gz DVLHGHWKWHKENH-BPLDGKMQSA-N 2 0 338.452 -0.496 20 0 EBADRP CO[C@H](C[NH3+])C(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000353460131 419329659 /nfs/dbraw/zinc/32/96/59/419329659.db2.gz NVFZYWQYEWXFRO-HUUCEWRRSA-N 2 0 328.457 -0.787 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000346537426 419486628 /nfs/dbraw/zinc/48/66/28/419486628.db2.gz UICBIRSNWXEMQG-HIFRSBDPSA-N 2 0 340.468 -0.378 20 0 EBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000519360796 419522232 /nfs/dbraw/zinc/52/22/32/419522232.db2.gz YFGYWNXEMYAKAB-CQSZACIVSA-N 2 0 325.457 -0.209 20 0 EBADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000659612008 419569445 /nfs/dbraw/zinc/56/94/45/419569445.db2.gz VJIITCFYMIETOJ-ZIAGYGMSSA-N 2 0 325.457 -0.033 20 0 EBADRP C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)[C@H]1CN(C)CCO1 ZINC000655709775 419624380 /nfs/dbraw/zinc/62/43/80/419624380.db2.gz JZJGSZJUCYDFPR-SOUVJXGZSA-N 2 0 328.457 -0.149 20 0 EBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@]2(F)CC[NH2+]C2)c1 ZINC000370265467 419708660 /nfs/dbraw/zinc/70/86/60/419708660.db2.gz HVZTYVUUZIZGMB-CYBMUJFWSA-N 2 0 330.385 -0.436 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CCO1 ZINC000659716116 419786748 /nfs/dbraw/zinc/78/67/48/419786748.db2.gz VVXOPVVWFFZCIL-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCCC[NH2+]C2CC2)CCO1 ZINC000659709602 419768278 /nfs/dbraw/zinc/76/82/78/419768278.db2.gz GESYWHYLRGHPMS-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP CCCNC(=O)C1CC[NH+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000520778885 419808315 /nfs/dbraw/zinc/80/83/15/419808315.db2.gz HAYJIFYIMUJAIM-CQSZACIVSA-N 2 0 338.452 -0.086 20 0 EBADRP CCC[NH2+]CCNC(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000419908668 419818519 /nfs/dbraw/zinc/81/85/19/419818519.db2.gz JDTHCXZHQNAZMC-UHFFFAOYSA-N 2 0 349.435 -0.145 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420013021 419831384 /nfs/dbraw/zinc/83/13/84/419831384.db2.gz BMLOWXMPECIBMW-UONOGXRCSA-N 2 0 328.457 -0.343 20 0 EBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420018490 419831819 /nfs/dbraw/zinc/83/18/19/419831819.db2.gz POZIZMJZCBGGCA-MELADBBJSA-N 2 0 340.468 -0.202 20 0 EBADRP C[C@@H]1C[C@H](C)[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1C[NH3+] ZINC000422636691 419904630 /nfs/dbraw/zinc/90/46/30/419904630.db2.gz NMVTYPJHWVVVBT-AGIUHOORSA-N 2 0 348.451 -0.261 20 0 EBADRP CN(CC[NH3+])C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000423270252 419928001 /nfs/dbraw/zinc/92/80/01/419928001.db2.gz HYKYCQVMJNNNTA-CQSZACIVSA-N 2 0 325.457 -0.968 20 0 EBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000423295502 419934609 /nfs/dbraw/zinc/93/46/09/419934609.db2.gz ASUBFPZCMULYCF-HNNXBMFYSA-N 2 0 338.452 -0.493 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423262586 419924737 /nfs/dbraw/zinc/92/47/37/419924737.db2.gz MUFJYEURBNXXBT-GASCZTMLSA-N 2 0 340.468 -0.519 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000423262228 419926437 /nfs/dbraw/zinc/92/64/37/419926437.db2.gz MBDOEAGDCBLNPS-KGLIPLIRSA-N 2 0 328.457 -0.391 20 0 EBADRP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000533308199 419968578 /nfs/dbraw/zinc/96/85/78/419968578.db2.gz DERVDPSLZYCAOL-AWEZNQCLSA-N 2 0 325.457 -0.068 20 0 EBADRP C[NH+]1CCN(C[C@@H](NC(=O)CNC(=O)C[NH3+])c2ccccc2)CC1 ZINC000514725643 419970906 /nfs/dbraw/zinc/97/09/06/419970906.db2.gz PUHMRLAYHBPLJE-OAHLLOKOSA-N 2 0 333.436 -0.834 20 0 EBADRP C[C@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000515158206 419976798 /nfs/dbraw/zinc/97/67/98/419976798.db2.gz KZTRTBZVAYZYFI-UONOGXRCSA-N 2 0 328.457 -0.378 20 0 EBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000515158204 419979111 /nfs/dbraw/zinc/97/91/11/419979111.db2.gz KZTRTBZVAYZYFI-KBPBESRZSA-N 2 0 328.457 -0.378 20 0 EBADRP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000516174693 420510822 /nfs/dbraw/zinc/51/08/22/420510822.db2.gz OZHDCFZQWOUWKX-AWEZNQCLSA-N 2 0 327.473 -0.358 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000516965679 420511089 /nfs/dbraw/zinc/51/10/89/420511089.db2.gz HUVUIESNFIHWAX-HRCADAONSA-N 2 0 326.485 -0.169 20 0 EBADRP COCC1(CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC000516465412 420512600 /nfs/dbraw/zinc/51/26/00/420512600.db2.gz WGWIFOMSUXDXQF-ZDUSSCGKSA-N 2 0 326.441 -0.623 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc(C[NH3+])o2)cn1 ZINC000646075452 420535183 /nfs/dbraw/zinc/53/51/83/420535183.db2.gz UGAKTFFZTILOKP-UHFFFAOYSA-N 2 0 334.380 -0.135 20 0 EBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)COCC[NH3+])CC1 ZINC000646180665 420539465 /nfs/dbraw/zinc/53/94/65/420539465.db2.gz UWDPYVPAZOLFOT-UHFFFAOYSA-N 2 0 328.457 -0.295 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646188973 420539852 /nfs/dbraw/zinc/53/98/52/420539852.db2.gz BIQPFKDEWOFFES-SOUVJXGZSA-N 2 0 327.473 -0.182 20 0 EBADRP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CC[C@@H](CN3CCOC3=O)C2)C1=O ZINC000496987244 420655459 /nfs/dbraw/zinc/65/54/59/420655459.db2.gz RZVBFVDHQHQOCT-OLZOCXBDSA-N 2 0 338.408 -0.550 20 0 EBADRP CC(C)[N@H+](C)C[C@H](O)CN1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000659995761 420666326 /nfs/dbraw/zinc/66/63/26/420666326.db2.gz CFNKYKLTXOKPBE-XJKSGUPXSA-N 2 0 326.441 -0.002 20 0 EBADRP Nc1nc(-n2cccn2)cc(N2CCCC[C@@H]2CNC(=O)CC[NH3+])[nH+]1 ZINC000420247042 420670233 /nfs/dbraw/zinc/67/02/33/420670233.db2.gz OCUQGMBAYJRIFZ-GFCCVEGCSA-N 2 0 344.423 0.068 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000173588954 420684008 /nfs/dbraw/zinc/68/40/08/420684008.db2.gz KICCIWPMZZFYQH-HNNXBMFYSA-N 2 0 329.489 -0.110 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000516857886 420694981 /nfs/dbraw/zinc/69/49/81/420694981.db2.gz NCJXTXBDCZOLSW-UHFFFAOYSA-N 2 0 328.457 -0.375 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000529319250 420762042 /nfs/dbraw/zinc/76/20/42/420762042.db2.gz WHEUVKBVJQFUEP-KFWWJZLASA-N 2 0 326.441 -0.348 20 0 EBADRP [NH3+]C1CCC(NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000529330906 420762856 /nfs/dbraw/zinc/76/28/56/420762856.db2.gz CKUUIVMEQOAEJU-UHFFFAOYSA-N 2 0 338.456 -0.391 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529382386 420765443 /nfs/dbraw/zinc/76/54/43/420765443.db2.gz SVECVSZYCVVZRV-CQSZACIVSA-N 2 0 341.456 -0.830 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529384579 420765919 /nfs/dbraw/zinc/76/59/19/420765919.db2.gz YVYPRPHGKOMAKJ-HZPDHXFCSA-N 2 0 339.484 -0.214 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000649320891 420800198 /nfs/dbraw/zinc/80/01/98/420800198.db2.gz DJHILGLGUNZOMO-NFAWXSAZSA-N 2 0 326.441 -0.857 20 0 EBADRP CC[NH+]1CCN([C@H](C)CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000649350678 420805254 /nfs/dbraw/zinc/80/52/54/420805254.db2.gz YJTPRUZEUGULAP-CABCVRRESA-N 2 0 349.483 -0.214 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654367605 420825605 /nfs/dbraw/zinc/82/56/05/420825605.db2.gz NQPCZVRJDDMTBK-JKSUJKDBSA-N 2 0 339.484 -0.527 20 0 EBADRP CC(C)[N@H+](C)C[C@H](O)CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000656696499 420900480 /nfs/dbraw/zinc/90/04/80/420900480.db2.gz HKPAOLSEBBFBCE-INIZCTEOSA-N 2 0 326.485 -0.073 20 0 EBADRP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656025078 420866127 /nfs/dbraw/zinc/86/61/27/420866127.db2.gz XIOQZMHOHMJPOF-UPJWGTAASA-N 2 0 326.441 -0.402 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656021561 420866183 /nfs/dbraw/zinc/86/61/83/420866183.db2.gz ASCMELMMBXDVMJ-IGQOVBAYSA-N 2 0 326.441 -0.532 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656023109 420866374 /nfs/dbraw/zinc/86/63/74/420866374.db2.gz VUXLZHSKSMWKSE-IGQOVBAYSA-N 2 0 328.457 -0.300 20 0 EBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656024392 420867136 /nfs/dbraw/zinc/86/71/36/420867136.db2.gz LXZYQXWOULMREY-ARILJUKYSA-N 2 0 340.468 -0.143 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656022484 420867231 /nfs/dbraw/zinc/86/72/31/420867231.db2.gz HHOYTDDVVMDEKD-WUHRBBMRSA-N 2 0 326.441 -0.328 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656021563 420867410 /nfs/dbraw/zinc/86/74/10/420867410.db2.gz ASCMELMMBXDVMJ-YIYPIFLZSA-N 2 0 326.441 -0.532 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656024679 420867492 /nfs/dbraw/zinc/86/74/92/420867492.db2.gz SEFCTPAZSXVJSQ-HTVCTNPSSA-N 2 0 328.457 -0.158 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656025383 420868820 /nfs/dbraw/zinc/86/88/20/420868820.db2.gz JCFOTODKLMKCOT-KGLIPLIRSA-N 2 0 326.441 -0.528 20 0 EBADRP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656299426 420886636 /nfs/dbraw/zinc/88/66/36/420886636.db2.gz SPVBONCZHIGNDP-APIJFGDWSA-N 2 0 336.436 -0.993 20 0 EBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C[N@@H+]1C1CC1 ZINC000656334703 420892009 /nfs/dbraw/zinc/89/20/09/420892009.db2.gz SALXHIYFLBWLNM-MYZSUADSSA-N 2 0 336.436 -0.995 20 0 EBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656336445 420892582 /nfs/dbraw/zinc/89/25/82/420892582.db2.gz DYLFHPYCZNDLOD-HZSPNIEDSA-N 2 0 326.441 -0.890 20 0 EBADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 ZINC000658381205 420953090 /nfs/dbraw/zinc/95/30/90/420953090.db2.gz AWGSOXDJKDMSAD-UHFFFAOYSA-N 2 0 339.421 -0.389 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000659680040 421013687 /nfs/dbraw/zinc/01/36/87/421013687.db2.gz SLAUOVGRZISMDZ-GJZGRUSLSA-N 2 0 340.468 -0.322 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659679599 421014015 /nfs/dbraw/zinc/01/40/15/421014015.db2.gz AJXKMQRKBYHQEX-UUCFBXCCSA-N 2 0 338.452 -0.591 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659683430 421014385 /nfs/dbraw/zinc/01/43/85/421014385.db2.gz YIRCEKHXIXQGPZ-ZDUSSCGKSA-N 2 0 339.484 -0.533 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000659683878 421015083 /nfs/dbraw/zinc/01/50/83/421015083.db2.gz AKBOQCMWITUFGO-ZDUSSCGKSA-N 2 0 348.451 -0.826 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659700765 421016563 /nfs/dbraw/zinc/01/65/63/421016563.db2.gz UNTGNFSRSDOINC-UHFFFAOYSA-N 2 0 328.457 -0.201 20 0 EBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)NCCC[NH3+])C1 ZINC000659709952 421017819 /nfs/dbraw/zinc/01/78/19/421017819.db2.gz NTKXRLWYMYRRKU-INIZCTEOSA-N 2 0 347.463 -0.616 20 0 EBADRP C[NH2+]CCNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659711839 421017974 /nfs/dbraw/zinc/01/79/74/421017974.db2.gz BGLNGNKCPPSDFM-INIZCTEOSA-N 2 0 347.463 -0.746 20 0 EBADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000659713022 421018337 /nfs/dbraw/zinc/01/83/37/421018337.db2.gz AAUZUNXDPVMEIU-LSDHHAIUSA-N 2 0 338.452 -0.386 20 0 EBADRP CCC([NH3+])(CC)CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659725533 421023396 /nfs/dbraw/zinc/02/33/96/421023396.db2.gz XZMWAWFWWHEGPT-AWEZNQCLSA-N 2 0 340.468 -0.010 20 0 EBADRP [NH3+][C@@H]1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659731085 421024766 /nfs/dbraw/zinc/02/47/66/421024766.db2.gz XXFPEEGYOIVJBR-MRXNPFEDSA-N 2 0 345.447 -0.031 20 0 EBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659734507 421025300 /nfs/dbraw/zinc/02/53/00/421025300.db2.gz PPBGBIGFAYSGDC-UHFFFAOYSA-N 2 0 340.468 -0.321 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000659749335 421028973 /nfs/dbraw/zinc/02/89/73/421028973.db2.gz GVJFODBGOQGDRP-ZDUSSCGKSA-N 2 0 326.441 -0.719 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000659749504 421029226 /nfs/dbraw/zinc/02/92/26/421029226.db2.gz IEXLFARHQSFGSI-CYBMUJFWSA-N 2 0 326.441 -0.719 20 0 EBADRP O=C(NCCCN1CC[NH2+]CC1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662390793 421085196 /nfs/dbraw/zinc/08/51/96/421085196.db2.gz NTZRDZCKXDJQIT-CQSZACIVSA-N 2 0 335.456 -0.382 20 0 EBADRP C[NH2+]C[C@](C)(O)CN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337636 421085565 /nfs/dbraw/zinc/08/55/65/421085565.db2.gz MKCJDQDKZAURQD-YOEHRIQHSA-N 2 0 336.484 -0.031 20 0 EBADRP CN1CCC(CNC(=O)c2cn(CC[NH3+])nn2)([NH+]2CCCCC2)CC1 ZINC000662478584 421087980 /nfs/dbraw/zinc/08/79/80/421087980.db2.gz YXHISNKXAUHQIQ-UHFFFAOYSA-N 2 0 349.483 -0.083 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662709297 421097235 /nfs/dbraw/zinc/09/72/35/421097235.db2.gz AMQMCCHOAIADNP-IHRRRGAJSA-N 2 0 326.441 -0.591 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662709295 421097627 /nfs/dbraw/zinc/09/76/27/421097627.db2.gz AMQMCCHOAIADNP-HZSPNIEDSA-N 2 0 326.441 -0.591 20 0 EBADRP O=C(NCC[NH+]1CCCC1)c1ccc(CNC(=O)C2(O)C[NH2+]C2)cc1 ZINC000662724324 421097881 /nfs/dbraw/zinc/09/78/81/421097881.db2.gz NWCCFRPPNORMHL-UHFFFAOYSA-N 2 0 346.431 -0.537 20 0 EBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C2(O)C[NH2+]C2)CC1 ZINC000662751076 421099002 /nfs/dbraw/zinc/09/90/02/421099002.db2.gz IMICCLZYYPUTAF-UHFFFAOYSA-N 2 0 326.441 -0.936 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)CCC[NH3+])CC2)c1 ZINC000662929692 421111443 /nfs/dbraw/zinc/11/14/43/421111443.db2.gz FJEBDABUEUGOCJ-UHFFFAOYSA-N 2 0 335.408 -0.454 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C[C@@H](C)[NH2+]1 ZINC000662953956 421117868 /nfs/dbraw/zinc/11/78/68/421117868.db2.gz RSQJCCRDJWYKSA-RBSFLKMASA-N 2 0 340.468 -0.236 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CCO1 ZINC000662973229 421118653 /nfs/dbraw/zinc/11/86/53/421118653.db2.gz QJAHRAXCTFOMQE-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+]1CCN(c2cc(C(=O)N3CCOC4(C[NH2+]C4)C3)ccn2)CC1 ZINC000664724815 421161940 /nfs/dbraw/zinc/16/19/40/421161940.db2.gz LXDRYFBJVSOFJX-UHFFFAOYSA-N 2 0 331.420 -0.352 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000626895818 421200908 /nfs/dbraw/zinc/20/09/08/421200908.db2.gz RLXATMDOCIENRN-UHFFFAOYSA-N 2 0 332.364 -0.361 20 0 EBADRP C[NH2+]C[C@H](C)CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418388744 264827758 /nfs/dbraw/zinc/82/77/58/264827758.db2.gz NOURJVBDPWUFIZ-WDEREUQCSA-N 2 0 325.379 -0.023 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)C1 ZINC000418916517 264840139 /nfs/dbraw/zinc/84/01/39/264840139.db2.gz HCLJYAWBNQWMAY-RBSFLKMASA-N 2 0 340.468 -0.345 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CCCCC1 ZINC000419816917 264891778 /nfs/dbraw/zinc/89/17/78/264891778.db2.gz LGWVFPRHPTZKLI-CQSZACIVSA-N 2 0 340.468 -0.057 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000423266836 264992093 /nfs/dbraw/zinc/99/20/93/264992093.db2.gz SIGNFZURHMEHCC-CQSZACIVSA-N 2 0 328.457 -0.390 20 0 EBADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423418500 265002982 /nfs/dbraw/zinc/00/29/82/265002982.db2.gz UQVGPMPXQUGBNC-CQSZACIVSA-N 2 0 328.457 -0.247 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000423442881 265004924 /nfs/dbraw/zinc/00/49/24/265004924.db2.gz KFIKUSDFFAYCRP-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000423614804 265020475 /nfs/dbraw/zinc/02/04/75/265020475.db2.gz XOGZZXVSONIMKY-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)c1 ZINC000423636578 265024478 /nfs/dbraw/zinc/02/44/78/265024478.db2.gz BNSGKUCYSNTKNU-CYBMUJFWSA-N 2 0 347.419 -0.312 20 0 EBADRP CO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)[C@@H](C[NH3+])C1 ZINC000423682611 265031985 /nfs/dbraw/zinc/03/19/85/265031985.db2.gz WEHLAPGWWGIFPB-XJFOESAGSA-N 2 0 326.441 -0.498 20 0 EBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000423693870 265033883 /nfs/dbraw/zinc/03/38/83/265033883.db2.gz AIRBOHDRGIFVPX-LSDHHAIUSA-N 2 0 339.484 -0.580 20 0 EBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000423722723 265037473 /nfs/dbraw/zinc/03/74/73/265037473.db2.gz PUTMRWXJXYDDEU-ZIAGYGMSSA-N 2 0 339.484 -0.581 20 0 EBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000423722720 265038441 /nfs/dbraw/zinc/03/84/41/265038441.db2.gz PUTMRWXJXYDDEU-KBPBESRZSA-N 2 0 339.484 -0.581 20 0 EBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424494132 265068863 /nfs/dbraw/zinc/06/88/63/265068863.db2.gz MMAZDGFEZIWBCK-LSDHHAIUSA-N 2 0 348.451 -0.774 20 0 EBADRP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430627265 265149983 /nfs/dbraw/zinc/14/99/83/265149983.db2.gz MZBIGNUBYJAPCD-STQMWFEESA-N 2 0 341.456 -0.356 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430631076 265150119 /nfs/dbraw/zinc/15/01/19/265150119.db2.gz SYZJYQHNCGFJDC-STQMWFEESA-N 2 0 339.440 -0.636 20 0 EBADRP CC(C)N(CCCNC(=O)C[NH+]1CCC(C[NH3+])CC1)S(C)(=O)=O ZINC000430643931 265152463 /nfs/dbraw/zinc/15/24/63/265152463.db2.gz YEQOZKBRDJEAAW-UHFFFAOYSA-N 2 0 348.513 -0.167 20 0 EBADRP C[C@H](C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)CS(C)(=O)=O ZINC000430639479 265152678 /nfs/dbraw/zinc/15/26/78/265152678.db2.gz FXAIEGDRPMOSPX-KGLIPLIRSA-N 2 0 331.482 -0.189 20 0 EBADRP COCC[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC[NH2+]C1 ZINC000430888682 265155851 /nfs/dbraw/zinc/15/58/51/265155851.db2.gz IQBNAIYEBPDEMP-PBHICJAKSA-N 2 0 340.468 -0.294 20 0 EBADRP C[NH2+]CC1CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000430966243 265159076 /nfs/dbraw/zinc/15/90/76/265159076.db2.gz OGHWNAKPJUVGFU-UHFFFAOYSA-N 2 0 334.486 -0.685 20 0 EBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1cc(=O)n2[n-]ccc2n1 ZINC000436050524 265234861 /nfs/dbraw/zinc/23/48/61/265234861.db2.gz IUARGHPIYUKSBN-ZDUSSCGKSA-N 2 0 332.408 -0.158 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](CO)[C@@H]2CCCO2)C1 ZINC000447916483 265384109 /nfs/dbraw/zinc/38/41/09/265384109.db2.gz VLLNKFQBBYXLFO-PMPSAXMXSA-N 2 0 343.468 -0.411 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000419889081 272815855 /nfs/dbraw/zinc/81/58/55/272815855.db2.gz KRYSMSBOXCTNQA-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000420114508 272819998 /nfs/dbraw/zinc/81/99/98/272819998.db2.gz ZEJTVFRHNYLCDL-INIZCTEOSA-N 2 0 328.457 -0.471 20 0 EBADRP O=C1NC[C@@H]2[C@H]1CCC[NH+]2C/C=C/C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000374083739 275024143 /nfs/dbraw/zinc/02/41/43/275024143.db2.gz NHYNLZVHVVGQRF-JEKYVBGCSA-N 2 0 332.448 -0.037 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CCO1 ZINC000332368118 289196529 /nfs/dbraw/zinc/19/65/29/289196529.db2.gz XXEMWKFXNSZZIN-ZNMIVQPWSA-N 2 0 338.452 -0.672 20 0 EBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000332347037 289290119 /nfs/dbraw/zinc/29/01/19/289290119.db2.gz AFHJVVOYHCZZJF-HUUCEWRRSA-N 2 0 337.468 -0.955 20 0 EBADRP C[NH+](C)CCOc1ccc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 ZINC000091865958 545729392 /nfs/dbraw/zinc/72/93/92/545729392.db2.gz NMSPMBRZOFDJSA-OAHLLOKOSA-N 2 0 346.431 -0.230 20 0 EBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](CCOC)C2)C1 ZINC000668841230 545770006 /nfs/dbraw/zinc/77/00/06/545770006.db2.gz HRNKUOSZQFQGJQ-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000669528414 545884827 /nfs/dbraw/zinc/88/48/27/545884827.db2.gz UOJDFENKUOPOEK-AWEZNQCLSA-N 2 0 325.457 -0.305 20 0 EBADRP C[C@@H](NC(=O)N1CC[N@H+](CCO)C(C)(C)C1)[C@H]1CN(C)CCO1 ZINC000672961894 545913403 /nfs/dbraw/zinc/91/34/03/545913403.db2.gz UFNOUGSSNYHZLQ-ZIAGYGMSSA-N 2 0 328.457 -0.196 20 0 EBADRP CN1CCN(C(=O)CC[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000669931703 545955201 /nfs/dbraw/zinc/95/52/01/545955201.db2.gz UGMOBSMHYBLVIT-KRWDZBQOSA-N 2 0 337.512 -0.138 20 0 EBADRP Cn1ccnc1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000672256252 546086255 /nfs/dbraw/zinc/08/62/55/546086255.db2.gz XXCFCTDWQTXBSU-CQSZACIVSA-N 2 0 348.451 -0.725 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)C1CC1 ZINC000676096787 546195089 /nfs/dbraw/zinc/19/50/89/546195089.db2.gz QCFNEOBBDUMECB-UHFFFAOYSA-N 2 0 336.440 -0.016 20 0 EBADRP NC(=O)[C@H]1CCCN1C1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000678080100 546246859 /nfs/dbraw/zinc/24/68/59/546246859.db2.gz NVSAYKUBVWSPFC-HZPDHXFCSA-N 2 0 340.468 -0.906 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1COC(C)(C)OC1 ZINC000806657282 582535863 /nfs/dbraw/zinc/53/58/63/582535863.db2.gz YQELBQOIPDIJDC-UHFFFAOYSA-N 2 0 344.456 -0.794 20 0 EBADRP C[C@@H](CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[NH+](C)C ZINC000891938937 582563614 /nfs/dbraw/zinc/56/36/14/582563614.db2.gz BNYWBBBPTUAREN-RVMXOQNASA-N 2 0 325.413 -0.487 20 0 EBADRP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000891970841 582564278 /nfs/dbraw/zinc/56/42/78/582564278.db2.gz PLYKRNYKFIOKQG-MRXNPFEDSA-N 2 0 325.457 -0.175 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@@H]1C(F)(F)F ZINC000891971643 582564648 /nfs/dbraw/zinc/56/46/48/582564648.db2.gz WYGIBVFTMAOUFY-UWVGGRQHSA-N 2 0 337.346 -0.803 20 0 EBADRP CC(C)[NH2+]CCCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891987546 582565260 /nfs/dbraw/zinc/56/52/60/582565260.db2.gz BTWQYXMNAVEMIA-MJBXVCDLSA-N 2 0 339.440 -0.049 20 0 EBADRP C[C@@H](C[NH3+])CNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892044997 582566579 /nfs/dbraw/zinc/56/65/79/582566579.db2.gz QVYZMPWUHBHVFR-GJZGRUSLSA-N 2 0 327.473 -0.323 20 0 EBADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)NC[C@H]1C[NH2+]CCCO1 ZINC000892167132 582568300 /nfs/dbraw/zinc/56/83/00/582568300.db2.gz BVZDOYUNUABNHT-ZIAGYGMSSA-N 2 0 326.441 -0.177 20 0 EBADRP COCC[N@H+](C)CCNC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000892687347 582585716 /nfs/dbraw/zinc/58/57/16/582585716.db2.gz KFAYRYZIPNNQLW-HUUCEWRRSA-N 2 0 328.457 -0.195 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CCCO1 ZINC000892756492 582587050 /nfs/dbraw/zinc/58/70/50/582587050.db2.gz QHFPPIXBECWNAM-UONOGXRCSA-N 2 0 326.441 -0.096 20 0 EBADRP C[NH+](C)CCOCCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000894367245 582629400 /nfs/dbraw/zinc/62/94/00/582629400.db2.gz RLTQLQTZHXYKRC-HUUCEWRRSA-N 2 0 328.457 -0.195 20 0 EBADRP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000866920787 582676491 /nfs/dbraw/zinc/67/64/91/582676491.db2.gz HJWIUSADSIQFIG-LRDDRELGSA-N 2 0 346.472 -0.130 20 0 EBADRP CCN1CC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000897359051 582680512 /nfs/dbraw/zinc/68/05/12/582680512.db2.gz KMPQFMMHRGORSR-HUUCEWRRSA-N 2 0 340.468 -0.330 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000898720856 582739429 /nfs/dbraw/zinc/73/94/29/582739429.db2.gz IGMNTVDTIHNXJE-AWEZNQCLSA-N 2 0 326.441 -0.815 20 0 EBADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000900228315 582765274 /nfs/dbraw/zinc/76/52/74/582765274.db2.gz BIKGIAASFPKSLE-QAPCUYQASA-N 2 0 347.463 -0.095 20 0 EBADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000902318321 582801855 /nfs/dbraw/zinc/80/18/55/582801855.db2.gz HALDLKIEDSXHJN-CQSZACIVSA-N 2 0 332.514 -0.069 20 0 EBADRP O=C([C@@H]1CCC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1)N1CC[NH2+]CC1 ZINC000903713148 582815006 /nfs/dbraw/zinc/81/50/06/582815006.db2.gz GHOGFUWXPUBGMM-SOLBZPMBSA-N 3 0 336.480 -0.101 20 0 EBADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000903756885 582819168 /nfs/dbraw/zinc/81/91/68/582819168.db2.gz SLLKYSJIVGSWBJ-AWEZNQCLSA-N 2 0 340.468 -0.105 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)CC[C@@H]21 ZINC000903775887 582819937 /nfs/dbraw/zinc/81/99/37/582819937.db2.gz HOXMPGUGOSAUCD-KKOKHZNYSA-N 2 0 348.369 -0.113 20 0 EBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903778483 582820150 /nfs/dbraw/zinc/82/01/50/582820150.db2.gz NNECXIQKLBKNAL-HNLJFRNMSA-N 3 0 336.436 -0.378 20 0 EBADRP Cc1c(C[C@H](C[NH3+])C[NH2+]C[C@H]2CCCN2S(C)(=O)=O)cnn1C ZINC000903923155 582823645 /nfs/dbraw/zinc/82/36/45/582823645.db2.gz MWISIZANKXZCGP-UKRRQHHQSA-N 2 0 343.497 -0.140 20 0 EBADRP Cc1c(C[C@H](C[NH3+])C[NH+]2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)cnn1C ZINC000903933937 582823808 /nfs/dbraw/zinc/82/38/08/582823808.db2.gz BKRAQCGRXBIHMU-DQYPLSBCSA-N 2 0 333.436 -0.169 20 0 EBADRP C[C@H]1CN(CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000741085193 583069275 /nfs/dbraw/zinc/06/92/75/583069275.db2.gz MMLAXMZEIBCICV-HNNXBMFYSA-N 2 0 329.489 -0.158 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000787111501 583516037 /nfs/dbraw/zinc/51/60/37/583516037.db2.gz ZTNRBADYIAVJAC-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP O=S1(=O)CCCN1[C@@H]1CCCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000789372748 583536691 /nfs/dbraw/zinc/53/66/91/583536691.db2.gz ABWRWYZOKZMKIQ-CABCVRRESA-N 2 0 331.482 -0.057 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000793701107 583568522 /nfs/dbraw/zinc/56/85/22/583568522.db2.gz OHCQJEOABGOCJW-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP C[C@H](CNC(=O)C(=O)NCCOCC[NH+](C)C)[NH+]1CCCCC1 ZINC000793721047 583569296 /nfs/dbraw/zinc/56/92/96/583569296.db2.gz PPCJLNOZMMMRKN-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC1=O ZINC000820848305 583781787 /nfs/dbraw/zinc/78/17/87/583781787.db2.gz QLNSMRUCDCTKCU-KGLIPLIRSA-N 2 0 326.441 -0.767 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CSCC(=O)N2)C[C@H]1C[NH+](C)C ZINC000827892444 583929133 /nfs/dbraw/zinc/92/91/33/583929133.db2.gz KXIMVLCUCCOPFF-UPJWGTAASA-N 2 0 328.482 -0.584 20 0 EBADRP Cc1cc([C@@H]([NH3+])CC(=O)NCC(=O)N2CC[NH2+]CC2)cc(Cl)n1 ZINC000832409980 583998079 /nfs/dbraw/zinc/99/80/79/583998079.db2.gz OZIQYUXBYJHEFS-LBPRGKRZSA-N 2 0 339.827 -0.019 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000842165539 584058812 /nfs/dbraw/zinc/05/88/12/584058812.db2.gz ZBOANASRNDLQFF-XGUBFFRZSA-N 2 0 338.452 -0.306 20 0 EBADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)[C@@H](C)C[N@@H+]1CCO ZINC000842176232 584059728 /nfs/dbraw/zinc/05/97/28/584059728.db2.gz LFZVIPBBXUYYIP-FXUDXRNXSA-N 2 0 340.468 -0.054 20 0 EBADRP COCCN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000867314717 584069511 /nfs/dbraw/zinc/06/95/11/584069511.db2.gz QRAOSNKSUUIPRI-LSDHHAIUSA-N 2 0 338.452 -0.670 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCSCC2)C[C@H]1C[NH+](C)C ZINC000867324207 584075027 /nfs/dbraw/zinc/07/50/27/584075027.db2.gz UXLCAMJZTDNZQD-ZIAGYGMSSA-N 2 0 342.509 -0.240 20 0 EBADRP [NH3+]CC(=O)NCC(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000843336437 584076269 /nfs/dbraw/zinc/07/62/69/584076269.db2.gz YTULWYSXFCWXPC-LLVKDONJSA-N 2 0 334.376 -0.391 20 0 EBADRP COC(=O)CC[N@H+](CCC(=O)N1CC[NH2+]CC1)C1CCOCC1 ZINC000843388837 584077456 /nfs/dbraw/zinc/07/74/56/584077456.db2.gz HDEQJQRIERBGMR-UHFFFAOYSA-N 2 0 327.425 -0.148 20 0 EBADRP [NH3+]CCNC(=O)c1ccccc1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000843471597 584079514 /nfs/dbraw/zinc/07/95/14/584079514.db2.gz LKHOCWHMEVKNJJ-AWEZNQCLSA-N 2 0 347.419 -0.428 20 0 EBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000845047562 584099039 /nfs/dbraw/zinc/09/90/39/584099039.db2.gz NJXRGMRVMPZHJQ-UKRRQHHQSA-N 2 0 337.468 -0.116 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C[C@H]1C[NH3+] ZINC000846331169 584124665 /nfs/dbraw/zinc/12/46/65/584124665.db2.gz OXFODTLXUCNXDK-LXTVHRRPSA-N 2 0 340.468 -0.202 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCN1C(=O)CCNC1=S ZINC000847446540 584138954 /nfs/dbraw/zinc/13/89/54/584138954.db2.gz PHWBIYSBEZIIPX-UHFFFAOYSA-N 2 0 343.497 -0.565 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCCCC1 ZINC000848931943 584163847 /nfs/dbraw/zinc/16/38/47/584163847.db2.gz JHHDJJJFSWLOPF-QLFBSQMISA-N 2 0 338.452 -0.746 20 0 EBADRP C[N@@H+]1CCN(CCNC(=[NH2+])NCCCN2CCOCC2)CC1(C)C ZINC000849108212 584165986 /nfs/dbraw/zinc/16/59/86/584165986.db2.gz KWKDDOMCUKTQHA-UHFFFAOYSA-N 2 0 340.516 -0.151 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCNS(=O)(=O)NC(C)C ZINC000849104030 584166004 /nfs/dbraw/zinc/16/60/04/584166004.db2.gz JKPGXWPNUQMLID-LBPRGKRZSA-N 2 0 334.490 -0.583 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000851684939 584198280 /nfs/dbraw/zinc/19/82/80/584198280.db2.gz NLJXLHMAZJCKGK-OCCSQVGLSA-N 2 0 326.441 -0.530 20 0 EBADRP C[NH+]1CCN(c2ncccc2CNC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852872884 584218169 /nfs/dbraw/zinc/21/81/69/584218169.db2.gz MOVIPBFUSCSRHJ-ZDUSSCGKSA-N 2 0 332.408 -0.447 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)CCO1 ZINC000852921939 584221080 /nfs/dbraw/zinc/22/10/80/584221080.db2.gz OHHJPQIXFZWMPT-GJZGRUSLSA-N 2 0 340.468 -0.247 20 0 EBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]1C[N@@H+]3CCC[C@H]3CO1)C2 ZINC000857102382 584274488 /nfs/dbraw/zinc/27/44/88/584274488.db2.gz QUXNXJKQNHUCKL-OEUWWYETSA-N 2 0 336.436 -0.694 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861638868 584332236 /nfs/dbraw/zinc/33/22/36/584332236.db2.gz NGAGAGYUNGPCMX-MCIONIFRSA-N 2 0 339.440 -0.064 20 0 EBADRP O=C(NCC[NH2+]C1CC1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861638256 584332247 /nfs/dbraw/zinc/33/22/47/584332247.db2.gz GDGOQBJQPOVJFT-KGLIPLIRSA-N 2 0 337.424 -0.295 20 0 EBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000861738976 584336082 /nfs/dbraw/zinc/33/60/82/584336082.db2.gz DKQMBWBILMHDIN-OLZOCXBDSA-N 2 0 325.457 -0.923 20 0 EBADRP C[C@@H](CN1CCOCC1)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863548008 584372933 /nfs/dbraw/zinc/37/29/33/584372933.db2.gz NBOKWKFAPYZQKQ-IMJJTQAJSA-N 2 0 338.452 -0.036 20 0 EBADRP C[NH2+]CCN(C)C(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000863770351 584378043 /nfs/dbraw/zinc/37/80/43/584378043.db2.gz KMFNNGFUVAMXEE-UHFFFAOYSA-N 2 0 326.441 -0.623 20 0 EBADRP CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708451 584403831 /nfs/dbraw/zinc/40/38/31/584403831.db2.gz FMLAJVINSLPXCV-UPJWGTAASA-N 2 0 346.453 -0.865 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867442566 584408252 /nfs/dbraw/zinc/40/82/52/584408252.db2.gz IUXYLSPJRINMSZ-GJZGRUSLSA-N 2 0 340.468 -0.424 20 0 EBADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)N2CCCOCC2)C[C@H]1C[NH+](C)C ZINC000867589464 584411775 /nfs/dbraw/zinc/41/17/75/584411775.db2.gz INCUWBDWEJZPFV-HUUCEWRRSA-N 2 0 348.513 -0.375 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCO2)C[C@H]1C[NH+](C)C ZINC000867676507 584413854 /nfs/dbraw/zinc/41/38/54/584413854.db2.gz PSNATAAYQWUXFN-KFWWJZLASA-N 2 0 340.468 -0.521 20 0 EBADRP CNC(=O)CN1CCC(NC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000868046622 584421492 /nfs/dbraw/zinc/42/14/92/584421492.db2.gz ZVMHPISMGDZYTQ-UKRRQHHQSA-N 2 0 337.468 -0.068 20 0 EBADRP Cc1cccc(CN2CCO[C@@H](CNC(=O)CNC(=O)C[NH3+])C2)c1 ZINC000870977255 584450392 /nfs/dbraw/zinc/45/03/92/584450392.db2.gz CVIAUPJMQRDVTO-HNNXBMFYSA-N 2 0 334.420 -0.613 20 0 EBADRP O=C(CCC12CC(C1)C[NH2+]2)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870996071 584450499 /nfs/dbraw/zinc/45/04/99/584450499.db2.gz CDHOFUGKDPJVBH-QGJIUJSSSA-N 2 0 334.420 -0.088 20 0 EBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000871811261 584457604 /nfs/dbraw/zinc/45/76/04/584457604.db2.gz NMTNFTPVBXMXQW-HUUCEWRRSA-N 2 0 325.434 -0.391 20 0 EBADRP Cn1c2ncn(CC[N@H+](C)CCCCCC[NH3+])c2c(=O)n(C)c1=O ZINC000872155863 584458428 /nfs/dbraw/zinc/45/84/28/584458428.db2.gz YVRVGDICMZYCOP-UHFFFAOYSA-N 2 0 336.440 -0.115 20 0 EBADRP O=C([C@H]1C[NH2+]CCC1(F)F)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872303491 584461573 /nfs/dbraw/zinc/46/15/73/584461573.db2.gz INKHJBFZJUDBRB-KKOKHZNYSA-N 2 0 344.362 -0.375 20 0 EBADRP CCOCCNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875034354 584488063 /nfs/dbraw/zinc/48/80/63/584488063.db2.gz KNYUJAIFELWAQK-ZIAGYGMSSA-N 2 0 328.457 -0.663 20 0 EBADRP C[C@@H](CN1CCOCC1)NC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000875073978 584488954 /nfs/dbraw/zinc/48/89/54/584488954.db2.gz JYZMWOPGUFRMRH-KBPBESRZSA-N 2 0 328.457 -0.149 20 0 EBADRP CC(=O)NCCCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875085948 584489166 /nfs/dbraw/zinc/48/91/66/584489166.db2.gz KQQOXJPZUXQVBT-HUUCEWRRSA-N 2 0 327.473 -0.107 20 0 EBADRP COCC[C@@H](C)NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875164025 584491681 /nfs/dbraw/zinc/49/16/81/584491681.db2.gz CFBXCDNNFMSFOB-RBSFLKMASA-N 2 0 342.484 -0.275 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000875263028 584495731 /nfs/dbraw/zinc/49/57/31/584495731.db2.gz JEDBWVYXWODALE-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000875263030 584495791 /nfs/dbraw/zinc/49/57/91/584495791.db2.gz JEDBWVYXWODALE-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCCC(C)(C)O)C[C@H]1C[NH+](C)C ZINC000875269771 584496144 /nfs/dbraw/zinc/49/61/44/584496144.db2.gz IYITYLAKYODDEH-ZIAGYGMSSA-N 2 0 342.484 -0.539 20 0 EBADRP C[NH+](C)CCOCCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875524063 584500173 /nfs/dbraw/zinc/50/01/73/584500173.db2.gz RENCPYMZZFLMOF-HZPDHXFCSA-N 3 0 343.516 -0.055 20 0 EBADRP CN1CCOC[C@H]1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875864670 584507700 /nfs/dbraw/zinc/50/77/00/584507700.db2.gz VHZVGMRFFKFRPP-BZUAXINKSA-N 2 0 341.500 -0.302 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876745967 584522089 /nfs/dbraw/zinc/52/20/89/584522089.db2.gz HIVVPSCFRHXFLQ-OAGGEKHMSA-N 2 0 325.501 -0.108 20 0 EBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000876771447 584523258 /nfs/dbraw/zinc/52/32/58/584523258.db2.gz SHFBBSCRRDHVGS-BCBDKAHJSA-N 2 0 348.451 -0.089 20 0 EBADRP [NH3+]C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1(F)F ZINC000876769723 584523263 /nfs/dbraw/zinc/52/32/63/584523263.db2.gz YRSFIWMFSZUVBK-JHJVBQTASA-N 2 0 332.395 -0.651 20 0 EBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1(F)F ZINC000876788385 584524050 /nfs/dbraw/zinc/52/40/50/584524050.db2.gz MSEZXHLKOAIPEO-UMSGYPCISA-N 2 0 344.406 -0.067 20 0 EBADRP C[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)N1CCNCC1=O ZINC000877144915 584529507 /nfs/dbraw/zinc/52/95/07/584529507.db2.gz ZIKJZFSQCASMHI-RRFJBIMHSA-N 2 0 339.484 -0.996 20 0 EBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3[C@H](C[NH3+])C3(F)F)CC2)C1=O ZINC000877146552 584529524 /nfs/dbraw/zinc/52/95/24/584529524.db2.gz UMFHFSNBWZUZTM-SRVKXCTJSA-N 2 0 330.379 -0.362 20 0 EBADRP COC[C@]1(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C[NH2+]CCO1 ZINC000877352883 584532169 /nfs/dbraw/zinc/53/21/69/584532169.db2.gz LLOOMKDCXQRVOK-UMNHJUIQSA-N 2 0 325.331 -0.413 20 0 EBADRP CC[C@@H]1COCCN1CCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000877434817 584532724 /nfs/dbraw/zinc/53/27/24/584532724.db2.gz VAQFTVIQAAIEDW-ZIAGYGMSSA-N 2 0 326.441 -0.528 20 0 EBADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1C[C@H](CO)[C@H](CO)C1)c1ccccc1 ZINC000879694863 584556294 /nfs/dbraw/zinc/55/62/94/584556294.db2.gz DCKAYZMNXKLWJE-IXDOHACOSA-N 2 0 335.448 -0.062 20 0 EBADRP CC[N@@H+]1CC[C@H]1CNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000883421479 584601047 /nfs/dbraw/zinc/60/10/47/584601047.db2.gz NEWBRPPPHZRZED-CVEARBPZSA-N 2 0 339.484 -0.214 20 0 EBADRP O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)C(=O)NC1C[NH2+]C1 ZINC000883606400 584603428 /nfs/dbraw/zinc/60/34/28/584603428.db2.gz RGBJALXFCBQQJI-MRXNPFEDSA-N 2 0 343.431 -0.003 20 0 EBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CCN(CCOC)CC1 ZINC000883644473 584604389 /nfs/dbraw/zinc/60/43/89/584604389.db2.gz KVGGHHZPMYOWIV-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000884423434 584623301 /nfs/dbraw/zinc/62/33/01/584623301.db2.gz VYHQUGOQYALNGF-OCCSQVGLSA-N 2 0 336.440 -0.501 20 0 EBADRP CCC1([NH3+])CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000884560134 584627272 /nfs/dbraw/zinc/62/72/72/584627272.db2.gz OAQAHPQHRGINOE-ZIAGYGMSSA-N 2 0 338.452 -0.304 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884562693 584627687 /nfs/dbraw/zinc/62/76/87/584627687.db2.gz IAOHZDDMSNMOKH-CYBMUJFWSA-N 2 0 328.457 -0.425 20 0 EBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000884560453 584627698 /nfs/dbraw/zinc/62/76/98/584627698.db2.gz XZDWUGRCXFXIJM-KBUPBQIOSA-N 2 0 338.452 -0.401 20 0 EBADRP CCN(C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@H]1CC[NH2+]C1 ZINC000884612328 584629823 /nfs/dbraw/zinc/62/98/23/584629823.db2.gz JKSBCTGJQPTGRC-WFASDCNBSA-N 2 0 328.482 -0.250 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCSC1 ZINC000884612529 584629993 /nfs/dbraw/zinc/62/99/93/584629993.db2.gz NJFCZHDUORUHKM-ZOWXZIJZSA-N 2 0 326.466 -0.497 20 0 EBADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884627617 584630224 /nfs/dbraw/zinc/63/02/24/584630224.db2.gz WNAOUVRMCSLORU-NWDGAFQWSA-N 2 0 344.406 -0.052 20 0 EBADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000884631273 584630648 /nfs/dbraw/zinc/63/06/48/584630648.db2.gz FHAATJZJOFKLMC-OLZOCXBDSA-N 2 0 344.406 -0.052 20 0 EBADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884640029 584631131 /nfs/dbraw/zinc/63/11/31/584631131.db2.gz RPBPWOXGWDLDHX-KBPBESRZSA-N 2 0 336.436 -0.680 20 0 EBADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000884675244 584632888 /nfs/dbraw/zinc/63/28/88/584632888.db2.gz WZUWVIUYTMJCRL-ZDUSSCGKSA-N 2 0 331.420 -0.013 20 0 EBADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000884678539 584633715 /nfs/dbraw/zinc/63/37/15/584633715.db2.gz FFXZAGNSBMDPAM-SWLSCSKDSA-N 2 0 331.420 -0.028 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CCN1c1cc[nH+]cc1 ZINC000884688284 584634409 /nfs/dbraw/zinc/63/44/09/584634409.db2.gz XXXYRNCAEIMHRG-UONOGXRCSA-N 2 0 331.420 -0.013 20 0 EBADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000884726618 584636602 /nfs/dbraw/zinc/63/66/02/584636602.db2.gz XWGOSZZXSORHHC-HIFRSBDPSA-N 2 0 347.419 -0.777 20 0 EBADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000884816236 584638818 /nfs/dbraw/zinc/63/88/18/584638818.db2.gz WLWXARQEKASAOY-MFOWVQHXSA-N 2 0 326.441 -0.530 20 0 EBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885279212 584646799 /nfs/dbraw/zinc/64/67/99/584646799.db2.gz AINPHPLNLKFBRX-GFCCVEGCSA-N 2 0 332.395 -0.098 20 0 EBADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000887091198 584676410 /nfs/dbraw/zinc/67/64/10/584676410.db2.gz DATGSYBNMAAQJY-SOUVJXGZSA-N 2 0 343.431 -0.204 20 0 EBADRP COCCOC[C@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000326820241 649996324 /nfs/dbraw/zinc/99/63/24/649996324.db2.gz IPIXIEYPGFYDNV-XHSDSOJGSA-N 2 0 343.468 -0.410 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000419675919 650009415 /nfs/dbraw/zinc/00/94/15/650009415.db2.gz LBOOQQUARWUSOJ-MRXNPFEDSA-N 2 0 326.441 -0.575 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000423263835 650009643 /nfs/dbraw/zinc/00/96/43/650009643.db2.gz PCYZJSTYXQTDAV-INIZCTEOSA-N 2 0 326.441 -0.623 20 0 EBADRP COC[C@@]1(C(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH2+]CCO1 ZINC000876730636 650043022 /nfs/dbraw/zinc/04/30/22/650043022.db2.gz ILHNZTBPKXPDBU-HLLBOEOZSA-N 2 0 343.468 -0.003 20 0 EBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000904961237 650052260 /nfs/dbraw/zinc/05/22/60/650052260.db2.gz NZRHCRVMZKQXSU-CYBMUJFWSA-N 2 0 328.457 -0.391 20 0 EBADRP CN(C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)C1(C[NH3+])CCOCC1 ZINC000904971892 650053475 /nfs/dbraw/zinc/05/34/75/650053475.db2.gz RMYJCOAYEHYSCL-MRXNPFEDSA-N 2 0 338.452 -0.493 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000904988534 650055901 /nfs/dbraw/zinc/05/59/01/650055901.db2.gz URMPCQHWBOMUBW-CHWSQXEVSA-N 2 0 326.441 -0.760 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C[C@@H](C)[NH2+]1 ZINC000904991674 650056276 /nfs/dbraw/zinc/05/62/76/650056276.db2.gz XACJRQQGYFFWCB-TUVASFSCSA-N 2 0 338.452 -0.747 20 0 EBADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000904991017 650056413 /nfs/dbraw/zinc/05/64/13/650056413.db2.gz SDOCISZMKVLXTB-ZIAGYGMSSA-N 2 0 326.441 -0.888 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000904993459 650056817 /nfs/dbraw/zinc/05/68/17/650056817.db2.gz GZMJYAVFWLUGCQ-RBSFLKMASA-N 2 0 338.452 -0.624 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000905013299 650059532 /nfs/dbraw/zinc/05/95/32/650059532.db2.gz GBZKTCRACPQMER-CQSZACIVSA-N 2 0 326.441 -0.767 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000905017225 650060054 /nfs/dbraw/zinc/06/00/54/650060054.db2.gz UHIYNSVQYNUGRI-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)CC1 ZINC000905448026 650063701 /nfs/dbraw/zinc/06/37/01/650063701.db2.gz WNWLUQRQLSUZND-VHSXEESVSA-N 2 0 335.317 -0.257 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)CC1 ZINC000905606338 650064101 /nfs/dbraw/zinc/06/41/01/650064101.db2.gz FEXZZSBIUBQEBN-KBPBESRZSA-N 2 0 344.456 -0.265 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCNC(=O)CO ZINC000906488768 650068244 /nfs/dbraw/zinc/06/82/44/650068244.db2.gz OAJHXIUJGHWZCT-AWEZNQCLSA-N 2 0 328.457 -0.641 20 0 EBADRP CCOC(=O)[C@@H]1CCCN(CC(=O)N[C@@H](CO)C[NH+]2CCCC2)C1 ZINC000908205619 650098489 /nfs/dbraw/zinc/09/84/89/650098489.db2.gz OLGGCRTWXQMNGR-HUUCEWRRSA-N 2 0 341.452 -0.166 20 0 EBADRP CN(C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCC[NH+]1C ZINC000908370961 650100691 /nfs/dbraw/zinc/10/06/91/650100691.db2.gz HHOCMDQSECRISN-IHRRRGAJSA-N 2 0 326.441 -0.890 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000910947234 650141567 /nfs/dbraw/zinc/14/15/67/650141567.db2.gz VYDUZSGIPXROLC-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC000910993608 650144223 /nfs/dbraw/zinc/14/42/23/650144223.db2.gz SLGMIRIBEXLIGW-GJZGRUSLSA-N 2 0 340.468 -0.343 20 0 EBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000911009096 650144636 /nfs/dbraw/zinc/14/46/36/650144636.db2.gz QJMYTAJECBMCSW-LMLFDSFASA-N 2 0 336.358 -0.067 20 0 EBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911054490 650147884 /nfs/dbraw/zinc/14/78/84/650147884.db2.gz INIFDHBRLXWVRF-HNNXBMFYSA-N 2 0 339.484 -0.484 20 0 EBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000911080415 650149827 /nfs/dbraw/zinc/14/98/27/650149827.db2.gz RHQZFAQVHDGLKH-WOSRLPQWSA-N 2 0 326.441 -0.712 20 0 EBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CCC([NH3+])CC2)C[N@@H+]1C1CC1 ZINC000911147156 650154396 /nfs/dbraw/zinc/15/43/96/650154396.db2.gz OLRDWQBRAZKFOR-TZMCWYRMSA-N 2 0 337.468 -0.733 20 0 EBADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)NC[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)C2 ZINC000911149577 650154921 /nfs/dbraw/zinc/15/49/21/650154921.db2.gz XWQCPTIAQPBESH-VYDRJRHOSA-N 2 0 336.436 -0.696 20 0 EBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911149172 650155051 /nfs/dbraw/zinc/15/50/51/650155051.db2.gz VAZYLOHSNFYLSX-ZNMIVQPWSA-N 2 0 338.452 -0.386 20 0 EBADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)NC[C@@H]1C[N@@H+]3CCC[C@H]3CO1)C2 ZINC000911149575 650155144 /nfs/dbraw/zinc/15/51/44/650155144.db2.gz XWQCPTIAQPBESH-AIEDFZFUSA-N 2 0 336.436 -0.696 20 0 EBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000911163845 650155989 /nfs/dbraw/zinc/15/59/89/650155989.db2.gz ZWQSQHYIGGGNJU-CZUORRHYSA-N 2 0 326.441 -0.711 20 0 EBADRP C[C@H](NC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1)[C@H]1CN(C)CCO1 ZINC000911161331 650155727 /nfs/dbraw/zinc/15/57/27/650155727.db2.gz HWTSIKHZMWTGGK-MELADBBJSA-N 2 0 326.441 -0.530 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000911162427 650156266 /nfs/dbraw/zinc/15/62/66/650156266.db2.gz RISJUBAOAMQMDN-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000911186262 650157891 /nfs/dbraw/zinc/15/78/91/650157891.db2.gz MNSPGIPBELBGKK-CQSZACIVSA-N 2 0 339.484 -0.674 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000911189202 650158537 /nfs/dbraw/zinc/15/85/37/650158537.db2.gz YJZMTRRFRGGSHC-OLZOCXBDSA-N 2 0 326.441 -0.591 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCSC1 ZINC000911197646 650158958 /nfs/dbraw/zinc/15/89/58/650158958.db2.gz BDCPMGAOOSPNMK-WOSRLPQWSA-N 2 0 340.493 -0.392 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000911197073 650159047 /nfs/dbraw/zinc/15/90/47/650159047.db2.gz ZLUUPTCDYHTBJZ-MCIONIFRSA-N 2 0 326.441 -0.733 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911206433 650159391 /nfs/dbraw/zinc/15/93/91/650159391.db2.gz FKZWYKDQZHRVDP-OAHLLOKOSA-N 2 0 339.484 -0.484 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000911222315 650160615 /nfs/dbraw/zinc/16/06/15/650160615.db2.gz CNPUKITYZPBXFS-LSDHHAIUSA-N 2 0 338.452 -0.576 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911230558 650161424 /nfs/dbraw/zinc/16/14/24/650161424.db2.gz ICZFDYDUYZUQHX-UONOGXRCSA-N 2 0 326.441 -0.861 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000911163831 650156136 /nfs/dbraw/zinc/15/61/36/650156136.db2.gz ZQURIBNQKPLPMT-AWEZNQCLSA-N 2 0 326.441 -0.719 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)C[NH+](C)C ZINC000911299802 650167704 /nfs/dbraw/zinc/16/77/04/650167704.db2.gz ZUIKHBGHZQYWLW-XJKSGUPXSA-N 2 0 328.457 -0.425 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)C[NH+](C)C ZINC000911298819 650167717 /nfs/dbraw/zinc/16/77/17/650167717.db2.gz XGJMGZXRTHPCOH-XQQFMLRXSA-N 2 0 344.456 -0.702 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911258064 650163414 /nfs/dbraw/zinc/16/34/14/650163414.db2.gz LYWZDULPPLRNQM-HUUCEWRRSA-N 2 0 334.420 -0.578 20 0 EBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911255499 650163491 /nfs/dbraw/zinc/16/34/91/650163491.db2.gz OJGUUGPPZDTIOO-UHFFFAOYSA-N 2 0 326.441 -0.401 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911268319 650164481 /nfs/dbraw/zinc/16/44/81/650164481.db2.gz CSJRIAZYNPCRSE-RRFJBIMHSA-N 2 0 339.484 -0.900 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000911270139 650165040 /nfs/dbraw/zinc/16/50/40/650165040.db2.gz TYBWHWLSKROERT-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP O=C(NCCC[NH2+]C1CC1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911270361 650165079 /nfs/dbraw/zinc/16/50/79/650165079.db2.gz KVTDVTRZKMALOT-CABCVRRESA-N 2 0 338.452 -0.698 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911293087 650167309 /nfs/dbraw/zinc/16/73/09/650167309.db2.gz RRVAMTFFPWBLCK-HZSPNIEDSA-N 2 0 326.441 -0.857 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911307625 650169172 /nfs/dbraw/zinc/16/91/72/650169172.db2.gz WWTLSFPAQLQFIS-MGPQQGTHSA-N 2 0 326.441 -0.842 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000911374489 650176380 /nfs/dbraw/zinc/17/63/80/650176380.db2.gz KUPDYANRJDMMEV-TZMCWYRMSA-N 2 0 326.441 -0.984 20 0 EBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000911386036 650177778 /nfs/dbraw/zinc/17/77/78/650177778.db2.gz MUTPYKSGMOKGRF-UONOGXRCSA-N 2 0 338.452 -0.528 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911412200 650179699 /nfs/dbraw/zinc/17/96/99/650179699.db2.gz KJFOPQLSZIANJK-CQSZACIVSA-N 2 0 325.457 -0.874 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NCCN3CCC([NH3+])CC3)CC[C@H]21 ZINC000911411154 650179760 /nfs/dbraw/zinc/17/97/60/650179760.db2.gz KHHGCKKDHPKHGB-UKRRQHHQSA-N 2 0 337.468 -0.922 20 0 EBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911411261 650179813 /nfs/dbraw/zinc/17/98/13/650179813.db2.gz INHBICYGLOMGON-UHFFFAOYSA-N 2 0 327.473 -0.676 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)C[NH+](C)C ZINC000911433031 650183040 /nfs/dbraw/zinc/18/30/40/650183040.db2.gz AUIQZZSWDSVBGB-WOSRLPQWSA-N 2 0 326.441 -0.591 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1)C[NH+](C)C ZINC000911433082 650183094 /nfs/dbraw/zinc/18/30/94/650183094.db2.gz BISSZYQRMYYGDC-ZIAGYGMSSA-N 2 0 328.457 -0.201 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])C[NH+](C)C ZINC000911436560 650184029 /nfs/dbraw/zinc/18/40/29/650184029.db2.gz VJMMJBJJSDXQPH-RDBSUJKOSA-N 2 0 328.457 -0.345 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911492508 650188731 /nfs/dbraw/zinc/18/87/31/650188731.db2.gz FJOCLIDWTVIBOS-KGLIPLIRSA-N 3 0 327.473 -0.818 20 0 EBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000911536161 650191328 /nfs/dbraw/zinc/19/13/28/650191328.db2.gz JWXYLAQEUTWZHN-NWANDNLSSA-N 2 0 338.452 -0.699 20 0 EBADRP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000911546992 650192701 /nfs/dbraw/zinc/19/27/01/650192701.db2.gz TVLZANGFBIJCIG-NJVJYBDUSA-N 2 0 336.436 -0.947 20 0 EBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000911703268 650195735 /nfs/dbraw/zinc/19/57/35/650195735.db2.gz WJMIGGFTABPHPJ-PBHICJAKSA-N 2 0 338.452 -0.839 20 0 EBADRP CN(CCN1CC[NH2+]CC1)C(=O)c1ccc2c(c1)CC[C@@H]([NH3+])C(=O)N2 ZINC000911776067 650196405 /nfs/dbraw/zinc/19/64/05/650196405.db2.gz UBIUXWHWAVATBI-OAHLLOKOSA-N 2 0 345.447 -0.124 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000912461149 650205749 /nfs/dbraw/zinc/20/57/49/650205749.db2.gz INHPYUJTEIMYNH-INIZCTEOSA-N 2 0 328.457 -0.688 20 0 EBADRP O=C(NC12CC[NH+](CC1)C2)[C@@H]1CC[C@H]1C(=O)NC12CC[NH+](CC1)C2 ZINC000913638029 650242224 /nfs/dbraw/zinc/24/22/24/650242224.db2.gz RJDURDTWVVVJMK-ZIAGYGMSSA-N 2 0 332.448 -0.059 20 0 EBADRP COCCN(C)C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000923429018 650339927 /nfs/dbraw/zinc/33/99/27/650339927.db2.gz NCDSQWSJKJTTBB-NHIYQJMISA-N 2 0 329.441 -0.862 20 0 EBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@H](O)COC[C@H]1CCCO1)C2 ZINC000923428530 650340203 /nfs/dbraw/zinc/34/02/03/650340203.db2.gz IJHGHJKLTFDTQD-SVZOTFJBSA-N 2 0 342.436 -0.245 20 0 EBADRP COc1cccc(OC)c1OC[C@@H](O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923460813 650341192 /nfs/dbraw/zinc/34/11/92/650341192.db2.gz RNNZHMHQNHJGFV-AWEZNQCLSA-N 2 0 339.436 -0.062 20 0 EBADRP CCCNC(=O)CN(C)C(=O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923453682 650341229 /nfs/dbraw/zinc/34/12/29/650341229.db2.gz CVUFXPQMKWAIPG-CQSZACIVSA-N 2 0 340.468 -0.199 20 0 EBADRP COC(=O)CN(C)C(=O)CC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452595 650341240 /nfs/dbraw/zinc/34/12/40/650341240.db2.gz VQEUIORENCPSLI-ZDUSSCGKSA-N 2 0 327.425 -0.162 20 0 EBADRP C[C@@H]1C[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[C@@H]1C[NH3+] ZINC000923499248 650342194 /nfs/dbraw/zinc/34/21/94/650342194.db2.gz RRTFRUQSPFAEFT-HUUCEWRRSA-N 2 0 339.484 -0.865 20 0 EBADRP [NH3+]C[C@H]1Cc2cc(F)ccc2N(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923678304 650352368 /nfs/dbraw/zinc/35/23/68/650352368.db2.gz WEJUUVXKRNMBPW-LLVKDONJSA-N 2 0 328.413 -0.087 20 0 EBADRP CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000923618620 650348310 /nfs/dbraw/zinc/34/83/10/650348310.db2.gz ATVZYLPQWQRVCQ-CABCVRRESA-N 2 0 332.514 -0.069 20 0 EBADRP [NH3+]C1(CNS(=O)(=O)N2CC[NH2+]CC2)C2CC3CC(C2)CC1C3 ZINC000923659847 650351528 /nfs/dbraw/zinc/35/15/28/650351528.db2.gz XUHMXQSTCMRQNQ-UHFFFAOYSA-N 2 0 328.482 -0.120 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC1N=NC(=O)N1C1CC1 ZINC000923865252 650358130 /nfs/dbraw/zinc/35/81/30/650358130.db2.gz BMLMEWGXRWATKO-UHFFFAOYSA-N 2 0 339.444 -0.047 20 0 EBADRP CC(C)[NH+]1CCN(CCCC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2C)CC1 ZINC000924980725 650369579 /nfs/dbraw/zinc/36/95/79/650369579.db2.gz UMMPNEVIRHHQNS-HZPDHXFCSA-N 2 0 326.485 -0.026 20 0 EBADRP CC(C)[NH+]1CCN(CCCC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2C)CC1 ZINC000924980729 650369639 /nfs/dbraw/zinc/36/96/39/650369639.db2.gz UMMPNEVIRHHQNS-JKSUJKDBSA-N 2 0 326.485 -0.026 20 0 EBADRP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000926310355 650385449 /nfs/dbraw/zinc/38/54/49/650385449.db2.gz PFLIVUJECYOIPU-OAHLLOKOSA-N 2 0 337.468 -0.905 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC[C@@H]1C[NH3+] ZINC000926329688 650385875 /nfs/dbraw/zinc/38/58/75/650385875.db2.gz GZWAAQFZOAPMMJ-HUUCEWRRSA-N 3 0 341.500 -0.619 20 0 EBADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926323259 650385931 /nfs/dbraw/zinc/38/59/31/650385931.db2.gz ZUNBFLMCJBVZNZ-DYVFJYSZSA-N 2 0 340.468 -0.513 20 0 EBADRP C[NH+](C)[C@H]1CCN(C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1 ZINC000926329646 650386159 /nfs/dbraw/zinc/38/61/59/650386159.db2.gz GIGQHDYAHANZBW-UONOGXRCSA-N 2 0 338.452 -0.495 20 0 EBADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926323260 650386181 /nfs/dbraw/zinc/38/61/81/650386181.db2.gz ZUNBFLMCJBVZNZ-GUYCJALGSA-N 2 0 340.468 -0.513 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926333416 650386505 /nfs/dbraw/zinc/38/65/05/650386505.db2.gz JNOLWIDHHNLGDT-CZUORRHYSA-N 2 0 326.441 -0.759 20 0 EBADRP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000926344160 650387727 /nfs/dbraw/zinc/38/77/27/650387727.db2.gz IWZWFNLYIHUHDF-RHSMWYFYSA-N 2 0 338.452 -0.757 20 0 EBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCNCC[NH2+]CC2)C[C@@H]1C ZINC000926345036 650387961 /nfs/dbraw/zinc/38/79/61/650387961.db2.gz NAWDPRXXOVDJGY-LSDHHAIUSA-N 2 0 339.484 -0.661 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)[C@H](C)C1 ZINC000926348902 650388035 /nfs/dbraw/zinc/38/80/35/650388035.db2.gz WMDRGWQJURMAPQ-KEYYUXOJSA-N 2 0 340.468 -0.513 20 0 EBADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926349094 650388615 /nfs/dbraw/zinc/38/86/15/650388615.db2.gz SXXSBQUUZWPWRV-QGZVFWFLSA-N 2 0 342.484 -0.121 20 0 EBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000926349479 650388631 /nfs/dbraw/zinc/38/86/31/650388631.db2.gz HLYUQZZKNBHUKI-JJRVBVJISA-N 2 0 338.452 -0.759 20 0 EBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926354194 650389056 /nfs/dbraw/zinc/38/90/56/650389056.db2.gz NTSUMBOEQGDZTI-KRWDZBQOSA-N 2 0 340.468 -0.367 20 0 EBADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)C2)C1 ZINC000926425400 650392614 /nfs/dbraw/zinc/39/26/14/650392614.db2.gz XUKWALGDHZRFLQ-HDMKZQKVSA-N 2 0 334.464 -0.001 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cn1 ZINC000927900708 651511229 /nfs/dbraw/zinc/51/12/29/651511229.db2.gz MOZCGJUKVWQMHC-QWHCGFSZSA-N 2 0 334.424 -0.549 20 0 EBADRP C[C@@H]1[C@H](NC(=O)COCC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)CC[NH+]1C ZINC000928448276 651521247 /nfs/dbraw/zinc/52/12/47/651521247.db2.gz NODZUBNVHPWPNQ-XJFOESAGSA-N 2 0 326.441 -0.579 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)NCC[NH+]1CCC(C)CC1)C[NH+](C)C ZINC000929401866 651545854 /nfs/dbraw/zinc/54/58/54/651545854.db2.gz KPXPTDAXPFKEMB-HNNXBMFYSA-N 2 0 342.484 -0.083 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000929526961 651552933 /nfs/dbraw/zinc/55/29/33/651552933.db2.gz YJXWRQXZAPKFHR-WMLDXEAASA-N 2 0 340.468 -0.519 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO)C1CC1 ZINC000929712346 651560611 /nfs/dbraw/zinc/56/06/11/651560611.db2.gz MTWPJSPABURGGH-CABCVRRESA-N 2 0 338.452 -0.746 20 0 EBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000929749439 651563232 /nfs/dbraw/zinc/56/32/32/651563232.db2.gz GAASFGGQIRIJSW-HIFRSBDPSA-N 2 0 340.468 -0.188 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[NH+]2CCC(C)(C)C2)C1 ZINC000930008993 651577382 /nfs/dbraw/zinc/57/73/82/651577382.db2.gz JCXUPKSNINCYAZ-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP COC(=O)C1CCN(C(=O)C[NH+]2CCC(O)(C[NH+](C)C)CC2)CC1 ZINC000931488758 651634427 /nfs/dbraw/zinc/63/44/27/651634427.db2.gz VAVXEWYUSKJTKY-UHFFFAOYSA-N 2 0 341.452 -0.214 20 0 EBADRP C[C@@H]1COC[C@H]1NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000932089148 651666698 /nfs/dbraw/zinc/66/66/98/651666698.db2.gz BEWWVXJFVVLJDQ-KBUPBQIOSA-N 2 0 340.468 -0.665 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)C[NH+](C)C ZINC000932471669 651683787 /nfs/dbraw/zinc/68/37/87/651683787.db2.gz IHPNDGSYGLCWNQ-KGLIPLIRSA-N 2 0 328.457 -0.378 20 0 EBADRP COC1(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CS(=O)(=O)C1 ZINC000932685456 651689300 /nfs/dbraw/zinc/68/93/00/651689300.db2.gz WTGMORZUYDFTAJ-UHFFFAOYSA-N 2 0 349.497 -0.468 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CSCC(=O)N1 ZINC000932685255 651689913 /nfs/dbraw/zinc/68/99/13/651689913.db2.gz SKDSYTGBOBNOAV-ZDUSSCGKSA-N 2 0 330.498 -0.050 20 0 EBADRP O=C([C@@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCN(C2CN(CCO)C2)CC1 ZINC000941408829 652720464 /nfs/dbraw/zinc/72/04/64/652720464.db2.gz WGMAWUBUCUXJNN-CVEARBPZSA-N 2 0 336.480 -0.319 20 0 EBADRP C[C@H](O)C[NH+]1CC(N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC000941474948 652758852 /nfs/dbraw/zinc/75/88/52/652758852.db2.gz GKCOXHODDTUWNQ-HNNXBMFYSA-N 2 0 336.480 -0.176 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N2CCN(C3C[NH+](CCCO)C3)CC2)CC[N@@H+]1C ZINC000941533706 652790362 /nfs/dbraw/zinc/79/03/62/652790362.db2.gz DXOHKVPSQWJTQC-HOTGVXAUSA-N 2 0 338.496 -0.073 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC000944517617 652826481 /nfs/dbraw/zinc/82/64/81/652826481.db2.gz WCPAORQTSBSRFK-GJZGRUSLSA-N 2 0 338.452 -0.480 20 0 EBADRP CO[C@H](C)C[NH+]1CC(N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000941640874 652851222 /nfs/dbraw/zinc/85/12/22/652851222.db2.gz HONQPWOGTVXMLM-OAHLLOKOSA-N 2 0 336.480 -0.055 20 0 EBADRP C[C@H]1CN(Cc2nc(=O)n(C)[nH]2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944943469 653297945 /nfs/dbraw/zinc/29/79/45/653297945.db2.gz IHCVWBRSVWDSLJ-QWHCGFSZSA-N 2 0 336.440 -0.469 20 0 EBADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)O1 ZINC000941275902 653480444 /nfs/dbraw/zinc/48/04/44/653480444.db2.gz JFCVFFHOWFVKAD-RBSFLKMASA-N 2 0 338.452 -0.482 20 0 EBADRP C[C@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CC[N@H+](C)C1)CCO2 ZINC000949244418 653848606 /nfs/dbraw/zinc/84/86/06/653848606.db2.gz GIYMWXGXHOJNPW-KGLIPLIRSA-N 2 0 338.452 -0.495 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC2(CC1)C[NH+](CCO)CCO2 ZINC000949470744 653900725 /nfs/dbraw/zinc/90/07/25/653900725.db2.gz IXIMOVPLEWPNKT-CABCVRRESA-N 2 0 325.453 -0.130 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC3(C2)CC([NH2+][C@H]2CCC(=O)NC2=O)C3)C1 ZINC000965915036 724539541 /nfs/dbraw/zinc/53/95/41/724539541.db2.gz CARLFEPLNBZQPO-BGNPCFTHSA-N 2 0 348.447 -0.240 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000933850426 719440109 /nfs/dbraw/zinc/44/01/09/719440109.db2.gz PUOWQTDLVRELCV-UHFFFAOYSA-N 2 0 342.484 -0.129 20 0 EBADRP CO[C@@H]1CCOC[C@H]1[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000934041793 719445382 /nfs/dbraw/zinc/44/53/82/719445382.db2.gz INMSQYATKNQCGE-BZUAXINKSA-N 2 0 343.468 -0.147 20 0 EBADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000954315768 719663455 /nfs/dbraw/zinc/66/34/55/719663455.db2.gz JHLHPDYKQOYTGD-GOEBONIOSA-N 2 0 334.464 -0.051 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000957085706 722153037 /nfs/dbraw/zinc/15/30/37/722153037.db2.gz DQVNCNAKYYUVHN-RBSFLKMASA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(NC[C@@H]1C[N@H+](CCCO)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC000958249062 722333584 /nfs/dbraw/zinc/33/35/84/722333584.db2.gz RHHHLTHNSNLEME-CJNGLKHVSA-N 2 0 345.403 -0.328 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCN3C(=O)CNC3=O)C[C@H]21 ZINC000958414802 722362620 /nfs/dbraw/zinc/36/26/20/722362620.db2.gz KVCKYAMJVLNVPK-COMQUAJESA-N 2 0 349.435 -0.931 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2C[N@H+](CCCF)C[C@H]2O)cn1 ZINC000958466815 722371347 /nfs/dbraw/zinc/37/13/47/722371347.db2.gz BDWUPZGIOPKRBU-UKRRQHHQSA-N 2 0 341.431 -0.173 20 0 EBADRP CC[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1)[NH+](C)C ZINC000958850945 722618725 /nfs/dbraw/zinc/61/87/25/722618725.db2.gz WNEBYZZOYQLANY-XGUBFFRZSA-N 2 0 340.468 -0.692 20 0 EBADRP C[NH+](C)C1(C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCOCC3)C2)CCC1 ZINC001018963521 728757579 /nfs/dbraw/zinc/75/75/79/728757579.db2.gz PQMKUNGOYYKPSL-AWEZNQCLSA-N 2 0 338.452 -0.480 20 0 EBADRP CN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C23CCC[NH+]2CCC3)C1=O ZINC000960793307 722865537 /nfs/dbraw/zinc/86/55/37/722865537.db2.gz SKYVIMHBNUVEJZ-BARDWOONSA-N 2 0 332.448 -0.108 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)[NH+](C)C ZINC001019032295 728777140 /nfs/dbraw/zinc/77/71/40/728777140.db2.gz PBOYCCSNUMTIBW-HZSPNIEDSA-N 2 0 331.482 -0.048 20 0 EBADRP C[NH+]1CC[C@@H](C(=O)N2CC3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)CC3C2)C1 ZINC000961601490 723043927 /nfs/dbraw/zinc/04/39/27/723043927.db2.gz YCCOVESGIOUJBH-WXLSXGNJSA-N 2 0 334.464 -0.193 20 0 EBADRP Cn1[nH]c(C[NH2+]CC2CC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nc1=O ZINC000961841342 723097502 /nfs/dbraw/zinc/09/75/02/723097502.db2.gz MTFSNVHREUHIPV-UXUKBGGZSA-N 2 0 348.451 -0.565 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000962293346 723219040 /nfs/dbraw/zinc/21/90/40/723219040.db2.gz AGHLBVLZKONDME-CAOSSQGBSA-N 2 0 345.447 -0.614 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CC(C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000962306678 723222782 /nfs/dbraw/zinc/22/27/82/723222782.db2.gz PZZUJFMKUGHSTA-PNESKVBLSA-N 2 0 336.440 -0.423 20 0 EBADRP O=C(C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1)N1CCC1 ZINC001019168754 728814251 /nfs/dbraw/zinc/81/42/51/728814251.db2.gz UIUQFXWFABDCMH-QRHJNKNDSA-N 2 0 348.447 -0.728 20 0 EBADRP Cn1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)n1 ZINC001019168790 728814370 /nfs/dbraw/zinc/81/43/70/728814370.db2.gz WYRZANLBTOKPBT-PWFYPYPJSA-N 2 0 345.447 -0.026 20 0 EBADRP Cn1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)n1 ZINC001019168791 728814426 /nfs/dbraw/zinc/81/44/26/728814426.db2.gz WYRZANLBTOKPBT-ZWEVUMDMSA-N 2 0 345.447 -0.026 20 0 EBADRP CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C1)[NH+](C)C ZINC001019342961 728863845 /nfs/dbraw/zinc/86/38/45/728863845.db2.gz QHNRMIFFIWAQAX-GOEBONIOSA-N 2 0 340.468 -0.378 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC000968701937 725105078 /nfs/dbraw/zinc/10/50/78/725105078.db2.gz AWTWTEFKTNOQOJ-CABCVRRESA-N 2 0 348.447 -0.332 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1)C(N)=O ZINC000969301704 725169133 /nfs/dbraw/zinc/16/91/33/725169133.db2.gz UGXZVWPCCLYPKE-NWDGAFQWSA-N 2 0 328.376 -0.055 20 0 EBADRP Cn1nncc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000969407956 725177163 /nfs/dbraw/zinc/17/71/63/725177163.db2.gz ZPIUDJRUSSQJSV-PTSUJKEJSA-N 2 0 346.435 -0.631 20 0 EBADRP Cn1cc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)cn1 ZINC000969407269 725177173 /nfs/dbraw/zinc/17/71/73/725177173.db2.gz AOBYPHVJQOXFIA-WKPSDNRBSA-N 2 0 345.447 -0.026 20 0 EBADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](CCN2CCNC2=O)C1 ZINC000969698585 725203956 /nfs/dbraw/zinc/20/39/56/725203956.db2.gz DYMJIDICTCFEAD-GZBFAFLISA-N 2 0 337.468 -0.212 20 0 EBADRP C[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)CC1 ZINC000969799307 725218383 /nfs/dbraw/zinc/21/83/83/725218383.db2.gz CRDUSVTZVGYKDW-OAHLLOKOSA-N 2 0 338.452 -0.623 20 0 EBADRP CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1)[NH+](C)C ZINC000969846236 725222422 /nfs/dbraw/zinc/22/24/22/725222422.db2.gz QDTUXOPNORXQSZ-ZIAGYGMSSA-N 2 0 325.457 -0.212 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](NC(=O)Cc2ncc[nH]2)[C@@H](O)C1 ZINC000970096976 725250390 /nfs/dbraw/zinc/25/03/90/725250390.db2.gz JSFRUYQTJGNRCW-UPJWGTAASA-N 2 0 335.408 -0.876 20 0 EBADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC000970745067 725323219 /nfs/dbraw/zinc/32/32/19/725323219.db2.gz IAOJDDLNARZDHP-GDBMZVCRSA-N 2 0 347.463 -0.224 20 0 EBADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC000970745069 725323269 /nfs/dbraw/zinc/32/32/69/725323269.db2.gz IAOJDDLNARZDHP-HOCLYGCPSA-N 2 0 347.463 -0.224 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H]([N@H+](C)[C@H]3CCNC3=O)C2)n1 ZINC000971555650 725421011 /nfs/dbraw/zinc/42/10/11/725421011.db2.gz IDXZSDAOZKFMQZ-HIFRSBDPSA-N 2 0 348.451 -0.521 20 0 EBADRP C[NH+]([C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)[C@@H]1CCC(=O)NC1=O ZINC000971687090 725430448 /nfs/dbraw/zinc/43/04/48/725430448.db2.gz IUCKCIURUJBTGN-ZIAGYGMSSA-N 2 0 336.436 -0.191 20 0 EBADRP C[N@H+]([C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)[C@H]1CCC(=O)NC1=O ZINC000971861775 725443181 /nfs/dbraw/zinc/44/31/81/725443181.db2.gz UTLPRXXFJQTYRZ-KGLIPLIRSA-N 2 0 348.447 -0.047 20 0 EBADRP C[N@H+]([C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)[C@@H]1CCC(=O)NC1=O ZINC000971861780 725443238 /nfs/dbraw/zinc/44/32/38/725443238.db2.gz UTLPRXXFJQTYRZ-ZIAGYGMSSA-N 2 0 348.447 -0.047 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000991724673 725578736 /nfs/dbraw/zinc/57/87/36/725578736.db2.gz WDSAPVIYILDYNV-ZIAGYGMSSA-N 2 0 338.452 -0.767 20 0 EBADRP O=C(N[C@]12CCC[C@@H]1[N@H+](CCO)CC2)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000991935392 725679837 /nfs/dbraw/zinc/67/98/37/725679837.db2.gz QYKBYCHDSIPVIP-NPYKFXGKSA-N 2 0 335.448 -0.045 20 0 EBADRP O=C(Cc1ncc[nH]1)N[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000973354433 725717882 /nfs/dbraw/zinc/71/78/82/725717882.db2.gz HOVWDTFEWWQFAG-XUXIUFHCSA-N 2 0 347.419 -0.421 20 0 EBADRP CN1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000973998801 725844493 /nfs/dbraw/zinc/84/44/93/725844493.db2.gz KIYJKFGNPODPOC-HZSPNIEDSA-N 2 0 336.436 -0.824 20 0 EBADRP Cc1cncn1CC(=O)N1CC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000993573771 725907790 /nfs/dbraw/zinc/90/77/90/725907790.db2.gz BVERUGKCWYHDKW-GJZGRUSLSA-N 2 0 347.419 -0.618 20 0 EBADRP Cc1cncn1CC(=O)N1CC(NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000993573774 725907868 /nfs/dbraw/zinc/90/78/68/725907868.db2.gz BVERUGKCWYHDKW-HUUCEWRRSA-N 2 0 347.419 -0.618 20 0 EBADRP O=C(c1ccc2c[nH+]cn2c1)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051715831 735349164 /nfs/dbraw/zinc/34/91/64/735349164.db2.gz UVPOZEKIBVYBPH-HUUCEWRRSA-N 2 0 343.387 -0.347 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCN2CCNC2=O)C(C)(C)C1 ZINC000995550645 726274264 /nfs/dbraw/zinc/27/42/64/726274264.db2.gz KHSRVIFXDXFSGZ-ZIAGYGMSSA-N 2 0 337.468 -0.068 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)C(C)(C)C2)n1 ZINC000995811500 726303367 /nfs/dbraw/zinc/30/33/67/726303367.db2.gz GUBUNCTZUDWECL-CYBMUJFWSA-N 2 0 336.440 -0.630 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000995962474 726318739 /nfs/dbraw/zinc/31/87/39/726318739.db2.gz VOJLYQPFFAYLHD-CYBMUJFWSA-N 2 0 340.468 -0.343 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCCC2)C1 ZINC000976542160 726341142 /nfs/dbraw/zinc/34/11/42/726341142.db2.gz TYKPKKGIMDGDSI-OIPACUDHSA-N 2 0 334.464 -0.003 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000976558452 726349467 /nfs/dbraw/zinc/34/94/67/726349467.db2.gz LQAMMXMDZWWUQQ-ALYAQQCSSA-N 2 0 346.475 -0.147 20 0 EBADRP O=C(CCN1CCOCC1)N1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000996470585 726401346 /nfs/dbraw/zinc/40/13/46/726401346.db2.gz UYTSRKMCZHACIX-UHFFFAOYSA-N 2 0 336.436 -0.869 20 0 EBADRP O=C(NC1CN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1)C12CC[NH+](CC1)C2 ZINC000996476183 726402912 /nfs/dbraw/zinc/40/29/12/726402912.db2.gz UMLBJGTWRGIOTH-CABCVRRESA-N 2 0 348.447 -0.728 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]([NH2+]CCN3CCNC3=O)C(C)(C)C2)C1 ZINC000996617632 726420104 /nfs/dbraw/zinc/42/01/04/726420104.db2.gz VRIOHIVFENEXQG-KGLIPLIRSA-N 2 0 337.468 -0.210 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]CCN2CCNC2=O)CC1 ZINC000997003934 726434596 /nfs/dbraw/zinc/43/45/96/726434596.db2.gz AWRQWDNAROWAMH-HIFRSBDPSA-N 2 0 337.468 -0.210 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3nnc4n3CCOC4)CC2)C1 ZINC000997296645 726445463 /nfs/dbraw/zinc/44/54/63/726445463.db2.gz AOBGBYQNBNUMIW-ZDUSSCGKSA-N 2 0 348.451 -0.159 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+][C@H]3CCC(=O)NC3=O)CC2)C1 ZINC000998265360 726482887 /nfs/dbraw/zinc/48/28/87/726482887.db2.gz LRKSRAMUPZTNLG-KGLIPLIRSA-N 2 0 336.436 -0.429 20 0 EBADRP C[N@H+](CC(=O)N1CCC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC000999366731 726516588 /nfs/dbraw/zinc/51/65/88/726516588.db2.gz ZLFMBCDGZLFCRM-JSGCOSHPSA-N 2 0 336.436 -0.144 20 0 EBADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000999681335 726527410 /nfs/dbraw/zinc/52/74/10/726527410.db2.gz DTSNKVGOADLKBX-PNESKVBLSA-N 2 0 336.440 -0.471 20 0 EBADRP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]CC(=O)N2CCOCC2)C1 ZINC000999834665 726534285 /nfs/dbraw/zinc/53/42/85/726534285.db2.gz UPEXEPXTCQPUEJ-UHFFFAOYSA-N 2 0 338.452 -0.480 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCc2cn([C@@H]3CC[NH+](CCO)C3)nn2)CC[N@@H+]1C ZINC000999988366 726547745 /nfs/dbraw/zinc/54/77/45/726547745.db2.gz UJWXJCCDXRPWBA-BPLDGKMQSA-N 2 0 336.440 -0.526 20 0 EBADRP O=C(NCc1cn([C@@H]2CC[N@@H+](CCO)C2)nn1)C12CCC[NH+]1CCC2 ZINC001000004642 726549423 /nfs/dbraw/zinc/54/94/23/726549423.db2.gz WFBFQVVBJIYRGC-OAHLLOKOSA-N 2 0 348.451 -0.238 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CCC[C@@H]([NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001000570915 726571458 /nfs/dbraw/zinc/57/14/58/726571458.db2.gz HLPGXDNCLPJCIG-HIFRSBDPSA-N 2 0 338.452 -0.434 20 0 EBADRP Cn1[nH]c(C[NH2+][C@@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nc1=O ZINC001000690910 726575361 /nfs/dbraw/zinc/57/53/61/726575361.db2.gz XFONUIWDSALAEF-QWHCGFSZSA-N 2 0 336.440 -0.469 20 0 EBADRP O=C(NCC1=CC[N@H+](CCCO)CC1)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001000972877 726585584 /nfs/dbraw/zinc/58/55/84/726585584.db2.gz GLWHZTKEFBVQPG-PQUAAJSLSA-N 2 0 335.448 -0.020 20 0 EBADRP CNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001001425591 726605749 /nfs/dbraw/zinc/60/57/49/726605749.db2.gz QIPFNGJQPKXXCJ-CABCVRRESA-N 2 0 338.452 -0.576 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC(CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001002083313 726631905 /nfs/dbraw/zinc/63/19/05/726631905.db2.gz JIZONRFWQKGXRC-CVEARBPZSA-N 2 0 334.464 -0.146 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC001002853253 726651000 /nfs/dbraw/zinc/65/10/00/726651000.db2.gz WGMQGEDHBTXXEL-UKRRQHHQSA-N 2 0 337.468 -0.068 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CC(CNC(=O)C23CC[NH+](CC2)C3)C1)C1CC1 ZINC001003334521 726670122 /nfs/dbraw/zinc/67/01/22/726670122.db2.gz WPWHSAUZBICRKJ-OAHLLOKOSA-N 2 0 334.464 -0.003 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001008890263 726823165 /nfs/dbraw/zinc/82/31/65/726823165.db2.gz SCHKJLZHMMVDIS-LVQVYYBASA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001009272212 726884024 /nfs/dbraw/zinc/88/40/24/726884024.db2.gz BLQRJELMUFNCSO-PHZGNYQRSA-N 2 0 346.475 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CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001051932147 735469935 /nfs/dbraw/zinc/46/99/35/735469935.db2.gz LOSMOABUGPZCAB-ZFWWWQNUSA-N 2 0 336.440 -0.433 20 0 EBADRP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)nn1 ZINC001051934778 735472457 /nfs/dbraw/zinc/47/24/57/735472457.db2.gz QLDNNPGKZNGSJB-OAHLLOKOSA-N 2 0 349.435 -0.102 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N3CC[NH+](CCO)CC3)C2)CC[N@@H+]1C ZINC001052031384 735512450 /nfs/dbraw/zinc/51/24/50/735512450.db2.gz MDHHWZADFXDQOD-YESZJQIVSA-N 2 0 338.496 -0.073 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001019774847 728988820 /nfs/dbraw/zinc/98/88/20/728988820.db2.gz KQYYKWIOKOWWSA-KGLIPLIRSA-N 2 0 329.466 -0.293 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001019779999 728989740 /nfs/dbraw/zinc/98/97/40/728989740.db2.gz CZSPYHREAQMNHJ-GJZGRUSLSA-N 2 0 336.440 -0.563 20 0 EBADRP O=C(CC[NH+]1CCCCC1)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001019815183 728998831 /nfs/dbraw/zinc/99/88/31/728998831.db2.gz BJWULDJDQJYVHK-UONOGXRCSA-N 2 0 336.436 -0.142 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001020214614 729102546 /nfs/dbraw/zinc/10/25/46/729102546.db2.gz YVHFOTPEVFZPNV-XDQVBPFNSA-N 2 0 336.436 -0.097 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)nc1=O ZINC001020289287 729125146 /nfs/dbraw/zinc/12/51/46/729125146.db2.gz WVPMLCBPPPMKTH-AAVRWANBSA-N 2 0 348.451 -0.138 20 0 EBADRP O=C(N[C@@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1)C12CCC[NH+]1CCC2 ZINC001020348931 729143258 /nfs/dbraw/zinc/14/32/58/729143258.db2.gz NQRPIPHOSVCGRH-HDJSIYSDSA-N 2 0 335.452 -0.123 20 0 EBADRP O=C(N[C@H]1C[C@H]([NH2+]CCn2cccn2)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001020406968 729160758 /nfs/dbraw/zinc/16/07/58/729160758.db2.gz HWVQCEKBBYJYIP-BFKWJSRZSA-N 2 0 345.447 -0.017 20 0 EBADRP O=C(N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001020407071 729160864 /nfs/dbraw/zinc/16/08/64/729160864.db2.gz NAAXFKPESRSPQC-WHJSIAKGSA-N 2 0 346.435 -0.622 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)nc1=O ZINC001020432504 729166039 /nfs/dbraw/zinc/16/60/39/729166039.db2.gz PFRPOKALAFMVNL-UMVBOHGHSA-N 2 0 348.451 -0.280 20 0 EBADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001020603620 729209139 /nfs/dbraw/zinc/20/91/39/729209139.db2.gz JKQMMOUPIYZIMS-DHGKCCLASA-N 2 0 331.420 -0.009 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001020929126 729257978 /nfs/dbraw/zinc/25/79/78/729257978.db2.gz URTJWZYYRMJWGJ-XGUBFFRZSA-N 2 0 343.493 0.000 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001021047642 729275009 /nfs/dbraw/zinc/27/50/09/729275009.db2.gz KCLGKKWTNKIBLR-KBUPBQIOSA-N 2 0 343.493 0.000 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001021050373 729275333 /nfs/dbraw/zinc/27/53/33/729275333.db2.gz GMUFQJOLAPGBHE-IHRRRGAJSA-N 2 0 329.466 -0.246 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001021904724 729344868 /nfs/dbraw/zinc/34/48/68/729344868.db2.gz CCBZVQWTWJYPED-IGQOVBAYSA-N 2 0 329.466 -0.248 20 0 EBADRP Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001022121551 729458318 /nfs/dbraw/zinc/45/83/18/729458318.db2.gz FOHJGRPKOJFZOF-RFQIPJPRSA-N 2 0 334.424 -0.585 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCc4cncn4C3)C2)nc1=O ZINC001022309644 729476619 /nfs/dbraw/zinc/47/66/19/729476619.db2.gz FHCAVEYYZLOJNT-UTUOFQBUSA-N 2 0 345.407 -0.696 20 0 EBADRP O=C(N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001022455242 729495572 /nfs/dbraw/zinc/49/55/72/729495572.db2.gz NAAXFKPESRSPQC-HJTLVLNNSA-N 2 0 346.435 -0.622 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001022714408 729524335 /nfs/dbraw/zinc/52/43/35/729524335.db2.gz TYTMCWJXKGPKFA-UPJWGTAASA-N 2 0 337.424 -0.883 20 0 EBADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1)C(N)=O ZINC001022838291 729536601 /nfs/dbraw/zinc/53/66/01/729536601.db2.gz KAORFMGUCQZNKS-MJBXVCDLSA-N 2 0 336.440 -0.441 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001023088731 729599064 /nfs/dbraw/zinc/59/90/64/729599064.db2.gz GMUFQJOLAPGBHE-MCIONIFRSA-N 2 0 329.466 -0.246 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1)C1CC1 ZINC001023797323 729801243 /nfs/dbraw/zinc/80/12/43/729801243.db2.gz ZCFBIEPVMLZKGY-FMKPAKJESA-N 2 0 338.452 -0.890 20 0 EBADRP O=C(N1CCC[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001024239576 729864841 /nfs/dbraw/zinc/86/48/41/729864841.db2.gz XURYSICTPACAQZ-KGLIPLIRSA-N 2 0 348.447 -0.284 20 0 EBADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001025787555 730088464 /nfs/dbraw/zinc/08/84/64/730088464.db2.gz RKXMVTPARZGIQV-GAUGTXIDSA-N 2 0 334.464 -0.149 20 0 EBADRP CN1CCC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+]3CCC2CC3)C1=O ZINC001025787514 730088496 /nfs/dbraw/zinc/08/84/96/730088496.db2.gz MXVOVZXVHBIOSX-ZOFXXKQRSA-N 2 0 346.475 -0.005 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCC(=O)NC4=O)C[C@H]32)CC[N@@H+]1C ZINC001025794104 730089725 /nfs/dbraw/zinc/08/97/25/730089725.db2.gz ZMQGCWGPPBMMEQ-CGNPOWQISA-N 2 0 334.420 -0.822 20 0 EBADRP Cn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)cn1 ZINC001025798900 730090208 /nfs/dbraw/zinc/09/02/08/730090208.db2.gz ONHYIJLYGCMZBW-UUAJXVIYSA-N 2 0 345.447 -0.170 20 0 EBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001025812877 730094923 /nfs/dbraw/zinc/09/49/23/730094923.db2.gz VOHQYNYSCSMPRR-LJIZCISZSA-N 2 0 334.464 -0.101 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001025820374 730096794 /nfs/dbraw/zinc/09/67/94/730096794.db2.gz SYZPRPDIJLOYMY-ZOFXXKQRSA-N 2 0 347.463 -0.225 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)[C@H](C1CC1)[NH+]1CCCC1 ZINC001025926237 730108976 /nfs/dbraw/zinc/10/89/76/730108976.db2.gz JZLYQYZIVQFFEN-NPJQDHAYSA-N 2 0 332.448 -0.204 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[NH+](C[C@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001026140478 730124334 /nfs/dbraw/zinc/12/43/34/730124334.db2.gz SYHSAVKFGIEYFS-YXISZKLHSA-N 2 0 347.463 -0.368 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H]4CCNC(=O)CC4)C[C@H]32)C1 ZINC001026145818 730125587 /nfs/dbraw/zinc/12/55/87/730125587.db2.gz MDXWVUPWFOSMCY-NBFUAULTSA-N 2 0 334.464 -0.099 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2C[C@@H]3CC[C@H]([NH2+]CCO)[C@@H]3C2)CC1 ZINC001026389766 730142855 /nfs/dbraw/zinc/14/28/55/730142855.db2.gz HPIJSJFZMKDTHW-IMJJTQAJSA-N 2 0 325.453 -0.084 20 0 EBADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CC[C@H]([NH2+]CCN3CCNC3=O)[C@H]2C1 ZINC001026420145 730144573 /nfs/dbraw/zinc/14/45/73/730144573.db2.gz DTGBJASZEXLAJG-JYJNAYRXSA-N 2 0 349.479 -0.066 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001026847877 730163356 /nfs/dbraw/zinc/16/33/56/730163356.db2.gz RACHXMZQMJHBET-JSGCOSHPSA-N 2 0 333.440 -0.510 20 0 EBADRP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC[C@H](C[NH2+]Cc2cnon2)C1 ZINC001026964353 730177097 /nfs/dbraw/zinc/17/70/97/730177097.db2.gz LUJUSYOREFUVBF-RZZRIIHNSA-N 2 0 347.419 -0.129 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001027062858 730186017 /nfs/dbraw/zinc/18/60/17/730186017.db2.gz CTCSGMPXFKDRCA-OLZOCXBDSA-N 2 0 336.440 -0.469 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001027217891 730200060 /nfs/dbraw/zinc/20/00/60/730200060.db2.gz RHAGZQDNKIEDFM-HUUCEWRRSA-N 2 0 343.493 -0.045 20 0 EBADRP C[N@H+]([C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)[C@@H]1CCC(=O)NC1=O ZINC001027681434 730233961 /nfs/dbraw/zinc/23/39/61/730233961.db2.gz WYFTTYKGSAHWHE-ZIAGYGMSSA-N 2 0 336.436 -0.190 20 0 EBADRP O=C(NC[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1cccn1)C12CC[NH+](CC1)C2 ZINC001028267035 730279120 /nfs/dbraw/zinc/27/91/20/730279120.db2.gz DYTDADAMJVDQKL-JKSUJKDBSA-N 2 0 347.463 -0.080 20 0 EBADRP COc1nccc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3CN(C)CCO3)C2)n1 ZINC001028465088 730296811 /nfs/dbraw/zinc/29/68/11/730296811.db2.gz IKHQKEPDBJMDCV-UKRRQHHQSA-N 2 0 349.435 -0.246 20 0 EBADRP CN1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCCNC2=O)C1 ZINC001029255489 730395285 /nfs/dbraw/zinc/39/52/85/730395285.db2.gz NOVHQUIIMKUZRT-XGUBFFRZSA-N 2 0 336.436 -0.729 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC2C[NH+](C[C@@H](O)Cn3cccn3)C2)CC[N@@H+]1C ZINC001031683410 730750284 /nfs/dbraw/zinc/75/02/84/730750284.db2.gz ZPKBKYHPAGJPCC-FVQBIDKESA-N 2 0 335.452 -0.368 20 0 EBADRP O=C(NCC1C[NH+](CCn2cccn2)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031688518 730750486 /nfs/dbraw/zinc/75/04/86/730750486.db2.gz HCRYZVZUNYNRPD-HZPDHXFCSA-N 2 0 333.436 -0.206 20 0 EBADRP C[NH+]1CCC(C(=O)NCC2C[NH+](C[C@H](O)Cn3cccn3)C2)CC1 ZINC001031949468 730796305 /nfs/dbraw/zinc/79/63/05/730796305.db2.gz SZNWJWOLDOCMFY-INIZCTEOSA-N 2 0 335.452 -0.366 20 0 EBADRP C[C@H]1CN(C(=O)CN2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)CCO1 ZINC001032828397 730940126 /nfs/dbraw/zinc/94/01/26/730940126.db2.gz WTOYSAMUQPHHCL-SOUVJXGZSA-N 2 0 338.452 -0.482 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](C[C@H](O)CN3CCCC3=O)C2)C1 ZINC001032843688 730944311 /nfs/dbraw/zinc/94/43/11/730944311.db2.gz RQESLCKKFFOLEG-ZNMIVQPWSA-N 2 0 338.452 -0.888 20 0 EBADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001033594940 731045571 /nfs/dbraw/zinc/04/55/71/731045571.db2.gz SVJCIOKRYYAZMK-HZPDHXFCSA-N 2 0 347.463 -0.128 20 0 EBADRP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001034040468 731099495 /nfs/dbraw/zinc/09/94/95/731099495.db2.gz UDKZNZSFWVIQLI-LSDHHAIUSA-N 2 0 337.468 -0.114 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCN3CCNC3=O)C2)C1 ZINC001034526093 731138215 /nfs/dbraw/zinc/13/82/15/731138215.db2.gz UEAYHIWYBVYACT-HUUCEWRRSA-N 2 0 337.468 -0.066 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001035036306 731180061 /nfs/dbraw/zinc/18/00/61/731180061.db2.gz KIRGMLHIOFHLGL-ZIAGYGMSSA-N 2 0 336.436 -0.286 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001039760798 731524173 /nfs/dbraw/zinc/52/41/73/731524173.db2.gz UCKHCPASUSQQQX-RHSMWYFYSA-N 2 0 338.452 -0.887 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@]1(O)CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001039784446 731532935 /nfs/dbraw/zinc/53/29/35/731532935.db2.gz DTHYJZHJLWXUMH-QGZVFWFLSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)CC[N@H+](C)CC)C1)[NH+](C)C ZINC001040199473 731640841 /nfs/dbraw/zinc/64/08/41/731640841.db2.gz WQKJPTXGQQVZGH-RHSMWYFYSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)CC[N@H+](C)CC)C1)[NH+](C)C ZINC001040360297 731712940 /nfs/dbraw/zinc/71/29/40/731712940.db2.gz WQKJPTXGQQVZGH-WMLDXEAASA-N 2 0 342.484 -0.252 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001061425942 738537115 /nfs/dbraw/zinc/53/71/15/738537115.db2.gz JQXGKZQABNFFCI-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1)[NH+](C)C ZINC001040718473 731845955 /nfs/dbraw/zinc/84/59/55/731845955.db2.gz LILJMHMSEQHDTM-WMLDXEAASA-N 2 0 342.484 -0.252 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001040718969 731846050 /nfs/dbraw/zinc/84/60/50/731846050.db2.gz PUNOFDPVPSLETF-RHSMWYFYSA-N 2 0 340.468 -0.498 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040800468 731880485 /nfs/dbraw/zinc/88/04/85/731880485.db2.gz GFPXQODTBGKZHH-INIZCTEOSA-N 2 0 328.457 -0.642 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001040801675 731881650 /nfs/dbraw/zinc/88/16/50/731881650.db2.gz UMQFNRGMPKAXCZ-INIZCTEOSA-N 2 0 326.441 -0.887 20 0 EBADRP CC[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001040901788 731911000 /nfs/dbraw/zinc/91/10/00/731911000.db2.gz MVDRDIPVUTTXSP-KRWDZBQOSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1)C1CC1 ZINC001042103462 732314362 /nfs/dbraw/zinc/31/43/62/732314362.db2.gz FPCSVAFORXVVJA-KBPBESRZSA-N 2 0 338.452 -0.890 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001042104087 732315722 /nfs/dbraw/zinc/31/57/22/732315722.db2.gz KQBPZRZWAPKDIB-ZDUSSCGKSA-N 2 0 340.468 -0.500 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCOC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061599420 738639911 /nfs/dbraw/zinc/63/99/11/738639911.db2.gz BHQXBDHHYUBNDO-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001061594973 738634499 /nfs/dbraw/zinc/63/44/99/738634499.db2.gz ALKCKABVDNEGGV-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)[NH+](C)C ZINC001043115582 732765419 /nfs/dbraw/zinc/76/54/19/732765419.db2.gz IKZKSNSSFVQSHT-KGLIPLIRSA-N 2 0 340.468 -0.786 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)C[NH+](CC)CC)C1 ZINC001043158422 732795258 /nfs/dbraw/zinc/79/52/58/732795258.db2.gz XTRWCHBNVQGSEI-UHFFFAOYSA-N 2 0 328.457 -0.641 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001043426706 732930955 /nfs/dbraw/zinc/93/09/55/732930955.db2.gz CGFVCIRWLSOTOH-ZDUSSCGKSA-N 2 0 326.441 -0.890 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1)C1CC1 ZINC001043464482 732955970 /nfs/dbraw/zinc/95/59/70/732955970.db2.gz WEJXKHSUKKBRBX-UONOGXRCSA-N 2 0 338.452 -0.890 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001043612158 733023845 /nfs/dbraw/zinc/02/38/45/733023845.db2.gz DFOJUKLCUQAVAE-CYBMUJFWSA-N 2 0 340.468 -0.642 20 0 EBADRP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001043662384 733048957 /nfs/dbraw/zinc/04/89/57/733048957.db2.gz UOBKRYCZCXHGIN-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001061651698 738673163 /nfs/dbraw/zinc/67/31/63/738673163.db2.gz VQMPWBUEVNJGCU-HUUCEWRRSA-N 2 0 340.468 -0.378 20 0 EBADRP O=C(Cn1ccnc1)NCC1(O)CN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001043716428 733076008 /nfs/dbraw/zinc/07/60/08/733076008.db2.gz HNILWANXLINEHU-UHFFFAOYSA-N 2 0 349.435 -0.551 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@H]1COCCN1C(=O)CC[NH+](C)C)[NH+](C)C ZINC001061657139 738676735 /nfs/dbraw/zinc/67/67/35/738676735.db2.gz DBZIRJCFOPDYSC-HOCLYGCPSA-N 2 0 342.484 -0.132 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001061657796 738677446 /nfs/dbraw/zinc/67/74/46/738677446.db2.gz DJERPSBLFMCAQD-HOCLYGCPSA-N 2 0 340.468 -0.378 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001043774072 733107337 /nfs/dbraw/zinc/10/73/37/733107337.db2.gz RYLJVFUHJXZFPY-ZIAGYGMSSA-N 2 0 338.452 -0.888 20 0 EBADRP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001043878443 733171421 /nfs/dbraw/zinc/17/14/21/733171421.db2.gz PKMKUTUXPXEPDR-UHFFFAOYSA-N 2 0 345.403 -0.411 20 0 EBADRP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001043973436 733226817 /nfs/dbraw/zinc/22/68/17/733226817.db2.gz FSWXZTKELPNPKR-UHFFFAOYSA-N 2 0 338.452 -0.744 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001044011154 733245157 /nfs/dbraw/zinc/24/51/57/733245157.db2.gz KNOCBTIQHUELOG-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001044011545 733245800 /nfs/dbraw/zinc/24/58/00/733245800.db2.gz QPNKBCFOYYPCGX-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@@H](C(=O)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1)[NH+](C)C ZINC001044041277 733258201 /nfs/dbraw/zinc/25/82/01/733258201.db2.gz GJAPEDIXTYJQLQ-ZDUSSCGKSA-N 2 0 338.452 -0.888 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001061690442 738700285 /nfs/dbraw/zinc/70/02/85/738700285.db2.gz IQNDGVCPRQYHNK-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCCCC(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001044251004 733340172 /nfs/dbraw/zinc/34/01/72/733340172.db2.gz DFLQYAUKLWETGU-UHFFFAOYSA-N 2 0 340.468 -0.496 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001044287289 733357169 /nfs/dbraw/zinc/35/71/69/733357169.db2.gz GYQQCCQMTMOBSZ-OAHLLOKOSA-N 2 0 342.484 -0.396 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001044299141 733366373 /nfs/dbraw/zinc/36/63/73/733366373.db2.gz WZZXEYJYBNGBRX-OAHLLOKOSA-N 2 0 342.484 -0.396 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)C[NH+](CC)CC)C1 ZINC001044302068 733368100 /nfs/dbraw/zinc/36/81/00/733368100.db2.gz GEGFFCYTSUYMKR-UHFFFAOYSA-N 2 0 328.457 -0.641 20 0 EBADRP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC001044802037 733515068 /nfs/dbraw/zinc/51/50/68/733515068.db2.gz ZJFYZNJICHHLEJ-CHWSQXEVSA-N 2 0 326.441 -0.448 20 0 EBADRP C[C@@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001044824491 733520794 /nfs/dbraw/zinc/52/07/94/733520794.db2.gz RBTUTGGTASBXGM-CHWSQXEVSA-N 2 0 348.451 -0.327 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCCN2C(=O)C[C@H]2CC[N@H+](C)C2)nc1=O ZINC001045276560 733645423 /nfs/dbraw/zinc/64/54/23/733645423.db2.gz YVRUNIZXNKICQD-OLZOCXBDSA-N 2 0 336.440 -0.469 20 0 EBADRP C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001045413095 733690052 /nfs/dbraw/zinc/69/00/52/733690052.db2.gz JXTPWIKQFLLDTI-UHFFFAOYSA-N 2 0 338.452 -0.887 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2(C)CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)C1 ZINC001045639291 733743396 /nfs/dbraw/zinc/74/33/96/733743396.db2.gz GMYIWSQZEVHVCA-OLZOCXBDSA-N 2 0 336.436 -0.286 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC3(CO2)CC[NH+](CC(N)=O)CC3)C1 ZINC001045684947 733753969 /nfs/dbraw/zinc/75/39/69/733753969.db2.gz CJUXKRCRCCIASU-KBPBESRZSA-N 2 0 338.452 -0.589 20 0 EBADRP CC[C@H](C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1)[NH+](CC)CC ZINC001045716463 733758360 /nfs/dbraw/zinc/75/83/60/733758360.db2.gz IIXZAEJHBVCXLI-CQSZACIVSA-N 2 0 342.484 -0.252 20 0 EBADRP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001045719720 733759647 /nfs/dbraw/zinc/75/96/47/733759647.db2.gz BGXSACHZFVMWNC-UHFFFAOYSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001046525783 733954330 /nfs/dbraw/zinc/95/43/30/733954330.db2.gz SJNHGLPZBOXTET-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001061827350 738772635 /nfs/dbraw/zinc/77/26/35/738772635.db2.gz HGGWHHIFWMCFPK-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)C1 ZINC001046684303 734002527 /nfs/dbraw/zinc/00/25/27/734002527.db2.gz GSDCZBQHCQRPIS-KBPBESRZSA-N 2 0 340.468 -0.785 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H]2C[NH+](CCCO)C[C@@H]2O)C1 ZINC001047498129 734226460 /nfs/dbraw/zinc/22/64/60/734226460.db2.gz GJJSHXJBZCOKIN-JYJNAYRXSA-N 2 0 327.469 -0.006 20 0 EBADRP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001047595292 734273352 /nfs/dbraw/zinc/27/33/52/734273352.db2.gz AZTMRFAHEKHTLA-PVAVHDDUSA-N 2 0 349.479 -0.192 20 0 EBADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CN(Cc2ccnn2C)C[C@@H]1O ZINC001047595955 734273958 /nfs/dbraw/zinc/27/39/58/734273958.db2.gz LLFNKWSJLPUZRE-BPUTZDHNSA-N 2 0 335.452 -0.235 20 0 EBADRP CCn1cc(CC[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001047628048 734289970 /nfs/dbraw/zinc/28/99/70/734289970.db2.gz BMJZVAADIXHREX-ULQDDVLXSA-N 2 0 349.479 -0.099 20 0 EBADRP C[C@@H]([NH2+]Cc1nnnn1C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001047960519 734326057 /nfs/dbraw/zinc/32/60/57/734326057.db2.gz TVIGFJRVJBBFPL-TZMCWYRMSA-N 2 0 335.456 -0.122 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001048558559 734444530 /nfs/dbraw/zinc/44/45/30/734444530.db2.gz RNNFOPIFMZEGPY-ILXRZTDVSA-N 2 0 340.468 -0.548 20 0 EBADRP CNC(=O)[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001048823412 734525679 /nfs/dbraw/zinc/52/56/79/734525679.db2.gz CGZRFPOYAXJRJG-OJLVUWQFSA-N 2 0 334.464 -0.147 20 0 EBADRP CC[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001048824287 734526401 /nfs/dbraw/zinc/52/64/01/734526401.db2.gz XMYPKYFDKRSZGD-QXSJWSMHSA-N 2 0 334.464 -0.018 20 0 EBADRP CC[NH+](CC)CC(=O)N(C)[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001048880971 734556117 /nfs/dbraw/zinc/55/61/17/734556117.db2.gz YQXYVDCZAMFQIG-GJZGRUSLSA-N 2 0 340.468 -0.546 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2C1 ZINC001048897280 734561059 /nfs/dbraw/zinc/56/10/59/734561059.db2.gz WEINKARELMYXKX-OWCLPIDISA-N 2 0 349.479 -0.114 20 0 EBADRP C[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943414 734579183 /nfs/dbraw/zinc/57/91/83/734579183.db2.gz CHXURYLUVGNGAU-MPQUDFIASA-N 2 0 348.447 -0.886 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N(C)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001049019550 734615477 /nfs/dbraw/zinc/61/54/77/734615477.db2.gz OIVZORGVIQPEQP-KBPBESRZSA-N 2 0 342.484 -0.302 20 0 EBADRP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001049048078 734625215 /nfs/dbraw/zinc/62/52/15/734625215.db2.gz GVSBDGXMBQTEFA-ILXRZTDVSA-N 2 0 340.468 -0.548 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2C1 ZINC001049059782 734630601 /nfs/dbraw/zinc/63/06/01/734630601.db2.gz GVNISCFVHAJVDX-JONQDZQNSA-N 2 0 349.479 -0.401 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCC4)C[C@@H]3C2)C1 ZINC001049059068 734630731 /nfs/dbraw/zinc/63/07/31/734630731.db2.gz MJQVKIXLYIENRV-HRCADAONSA-N 2 0 334.464 -0.049 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+](CCN4CCNC4=O)C[C@@H]3C2)C1 ZINC001049059091 734630794 /nfs/dbraw/zinc/63/07/94/734630794.db2.gz NGLNSUNHHVNXSP-OAGGEKHMSA-N 2 0 349.479 -0.256 20 0 EBADRP CN(C(=O)CCCC[NH+](C)C)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001049139665 734659823 /nfs/dbraw/zinc/65/98/23/734659823.db2.gz IQWWKUPVIGPOQW-GJZGRUSLSA-N 2 0 342.484 -0.300 20 0 EBADRP O=C(N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001049174442 734675859 /nfs/dbraw/zinc/67/58/59/734675859.db2.gz UHBZQZOFEAMBGS-GASCZTMLSA-N 2 0 347.463 -0.502 20 0 EBADRP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001049215412 734687436 /nfs/dbraw/zinc/68/74/36/734687436.db2.gz CNCUPBQNRNJKDZ-KFWWJZLASA-N 2 0 338.452 -0.909 20 0 EBADRP CC[N@H+](C)CCC(=O)N(C)[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001049548747 734751939 /nfs/dbraw/zinc/75/19/39/734751939.db2.gz NWVYOVXTQXXCHI-GJZGRUSLSA-N 2 0 342.484 -0.300 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]3C[NH+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001050201674 734867410 /nfs/dbraw/zinc/86/74/10/734867410.db2.gz IXJXADKGVHYXDK-HRCADAONSA-N 2 0 349.479 -0.114 20 0 EBADRP NC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)CC1 ZINC001050598550 734931483 /nfs/dbraw/zinc/93/14/83/734931483.db2.gz KVBSVDFMCPHAIV-TXKKKEFDSA-N 2 0 348.447 -0.741 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CC[NH+]([C@H]2CCC(=O)NC2=O)CC3)C1 ZINC001050754041 734954481 /nfs/dbraw/zinc/95/44/81/734954481.db2.gz NSSHDYKQKCQMDK-KBPBESRZSA-N 2 0 348.447 -0.332 20 0 EBADRP C[C@H](NC(=O)COCC[NH+](C)C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001051502722 735212619 /nfs/dbraw/zinc/21/26/19/735212619.db2.gz IOYKNRLDIQZCLL-GJZGRUSLSA-N 2 0 342.484 -0.131 20 0 EBADRP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001052572957 735645499 /nfs/dbraw/zinc/64/54/99/735645499.db2.gz RNAYQVYVXRBNIL-YRTQGLMCSA-N 2 0 336.436 -0.694 20 0 EBADRP Cn1nccc1CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)CO2 ZINC001054008567 736147960 /nfs/dbraw/zinc/14/79/60/736147960.db2.gz YYECJTDUBINMMF-LSDHHAIUSA-N 2 0 347.463 -0.126 20 0 EBADRP CCOCC(=O)NCC[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001055508591 736363123 /nfs/dbraw/zinc/36/31/23/736363123.db2.gz UYUGSJDXVKYJJA-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP CC(C)C(=O)NCC[NH+]1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001055521303 736367399 /nfs/dbraw/zinc/36/73/99/736367399.db2.gz KDUWNNYBURTFKZ-UHFFFAOYSA-N 2 0 342.484 -0.083 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCC(NC(=O)c3ccn[nH]3)CC2)C1 ZINC001055578679 736392002 /nfs/dbraw/zinc/39/20/02/736392002.db2.gz UEJWOKZLGOPIAR-ZDUSSCGKSA-N 2 0 348.451 -0.328 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)c2cnco2)CC1 ZINC001055633607 736417223 /nfs/dbraw/zinc/41/72/23/736417223.db2.gz VDTLKFGYPXQDGZ-UHFFFAOYSA-N 2 0 337.424 -0.063 20 0 EBADRP CC[C@@H](C(=O)N[C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001056022063 736600883 /nfs/dbraw/zinc/60/08/83/736600883.db2.gz PSUOKBMZCZNXTF-WMLDXEAASA-N 2 0 342.484 -0.252 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001056106507 736644099 /nfs/dbraw/zinc/64/40/99/736644099.db2.gz UUHVVPRJTJPKQU-QGZVFWFLSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001057209738 737079981 /nfs/dbraw/zinc/07/99/81/737079981.db2.gz VWCNQFDDTGUZAG-KGLIPLIRSA-N 2 0 326.441 -0.888 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001057210404 737081941 /nfs/dbraw/zinc/08/19/41/737081941.db2.gz IDTHBYKSGTUWIK-GJZGRUSLSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001057212449 737085188 /nfs/dbraw/zinc/08/51/88/737085188.db2.gz NZFOENYGKXMLAK-OAHLLOKOSA-N 2 0 342.484 -0.250 20 0 EBADRP CC(C)[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC001057212941 737087612 /nfs/dbraw/zinc/08/76/12/737087612.db2.gz ZRQJYBLNCPJMTB-CABCVRRESA-N 2 0 342.484 -0.396 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001057636617 737376592 /nfs/dbraw/zinc/37/65/92/737376592.db2.gz VLQVKZPPILVLJA-GJZGRUSLSA-N 2 0 340.468 -0.785 20 0 EBADRP C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057640093 737380934 /nfs/dbraw/zinc/38/09/34/737380934.db2.gz BQYBHMNSRFXNQC-UHFFFAOYSA-N 2 0 328.457 -0.639 20 0 EBADRP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001057658928 737395720 /nfs/dbraw/zinc/39/57/20/737395720.db2.gz HQSUKJJXKKVKCM-CABCVRRESA-N 2 0 342.484 -0.537 20 0 EBADRP C[NH+](C)CCC(=O)NCCN(CCO)C(=O)CC[NH+]1CCCCC1 ZINC001057860950 737481101 /nfs/dbraw/zinc/48/11/01/737481101.db2.gz BDLJNLBVXCDUGU-UHFFFAOYSA-N 2 0 342.484 -0.249 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(CCO)CCNC(=O)C1CC[NH+](C)CC1 ZINC001057863440 737484255 /nfs/dbraw/zinc/48/42/55/737484255.db2.gz RSFABSXLXXQKPZ-UHFFFAOYSA-N 2 0 342.484 -0.395 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(CCO)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001057863230 737484330 /nfs/dbraw/zinc/48/43/30/737484330.db2.gz KBDJTJHCHVNUIQ-HNNXBMFYSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[C@H](C(=O)N(CCO)CCNC(=O)C(C)(C)[N@H+](C)CC)[NH+](C)C ZINC001057975030 737571588 /nfs/dbraw/zinc/57/15/88/737571588.db2.gz CMNPZOAQUBNXJE-CQSZACIVSA-N 2 0 344.500 -0.006 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001058039110 737602104 /nfs/dbraw/zinc/60/21/04/737602104.db2.gz QHJQJOKGHXNDBP-LSDHHAIUSA-N 2 0 340.468 -0.641 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CCCC[NH+]1C ZINC001058039374 737602667 /nfs/dbraw/zinc/60/26/67/737602667.db2.gz YDUQSXZOKPWQAT-CABCVRRESA-N 2 0 340.468 -0.498 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001058158390 737681772 /nfs/dbraw/zinc/68/17/72/737681772.db2.gz XODODCLJGVCFPE-HNNXBMFYSA-N 2 0 342.484 -0.393 20 0 EBADRP C[NH+](C)CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001058236834 737726901 /nfs/dbraw/zinc/72/69/01/737726901.db2.gz HMEWPHOKLZMXTG-HNNXBMFYSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001058251128 737734389 /nfs/dbraw/zinc/73/43/89/737734389.db2.gz WWHQQVARHBXINR-MRXNPFEDSA-N 2 0 344.500 -0.149 20 0 EBADRP CCC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1 ZINC001058252314 737735011 /nfs/dbraw/zinc/73/50/11/737735011.db2.gz DZJQRYZKJMJKJB-UHFFFAOYSA-N 2 0 342.484 -0.249 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)CCCC[NH+](C)C ZINC001058253857 737735896 /nfs/dbraw/zinc/73/58/96/737735896.db2.gz KUJZREIYUVUGPO-UHFFFAOYSA-N 2 0 344.500 -0.003 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001058255224 737737263 /nfs/dbraw/zinc/73/72/63/737737263.db2.gz HNKZYOWLWYCMBQ-HNNXBMFYSA-N 2 0 342.484 -0.393 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058607643 737919948 /nfs/dbraw/zinc/91/99/48/737919948.db2.gz JHWLEIUJQUCRFA-GJZGRUSLSA-N 2 0 342.484 -0.537 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058607645 737920051 /nfs/dbraw/zinc/92/00/51/737920051.db2.gz JHWLEIUJQUCRFA-LSDHHAIUSA-N 2 0 342.484 -0.537 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058607898 737920448 /nfs/dbraw/zinc/92/04/48/737920448.db2.gz SMCPFJODSXEGSH-HNNXBMFYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001058610562 737921382 /nfs/dbraw/zinc/92/13/82/737921382.db2.gz LRVTZUOWRNUVFY-OAHLLOKOSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)CC[N@@H+]1C ZINC001058710507 737961015 /nfs/dbraw/zinc/96/10/15/737961015.db2.gz DSRKEIBXEOZUGB-LSDHHAIUSA-N 2 0 342.484 -0.395 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCCN(CCO)C(=O)CC[NH+](C)C)C1 ZINC001058710798 737961553 /nfs/dbraw/zinc/96/15/53/737961553.db2.gz PPOPNQSKGBRLAO-AWEZNQCLSA-N 2 0 328.457 -0.783 20 0 EBADRP CC[C@@H](C(=O)NCCN(CCO)C(=O)CC[N@H+](C)CC)[NH+](C)C ZINC001058815098 738002854 /nfs/dbraw/zinc/00/28/54/738002854.db2.gz LEOKVRPZXBWPOB-AWEZNQCLSA-N 2 0 330.473 -0.395 20 0 EBADRP CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001058816031 738003587 /nfs/dbraw/zinc/00/35/87/738003587.db2.gz GITPIKCLHDFBRA-AWEZNQCLSA-N 2 0 328.457 -0.783 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1 ZINC001058848552 738031123 /nfs/dbraw/zinc/03/11/23/738031123.db2.gz HAKAWOSXVSRMSE-HUUCEWRRSA-N 2 0 340.468 -0.783 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001059969699 738285959 /nfs/dbraw/zinc/28/59/59/738285959.db2.gz NGNKGUFMXSGSSD-OAHLLOKOSA-N 2 0 342.484 -0.129 20 0 EBADRP C[NH+](C)CCOCC(=O)NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001063100596 739060897 /nfs/dbraw/zinc/06/08/97/739060897.db2.gz MWOOAPCBWXLKCW-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)CCO1 ZINC001064978372 739456866 /nfs/dbraw/zinc/45/68/66/739456866.db2.gz RDCMQIBBTKJKLT-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001065178099 739581971 /nfs/dbraw/zinc/58/19/71/739581971.db2.gz NIVQNQRMVGQXEM-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001065254401 739614816 /nfs/dbraw/zinc/61/48/16/739614816.db2.gz UVGWITFJQLKWAL-CABCVRRESA-N 2 0 340.468 -0.236 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001065537470 739749443 /nfs/dbraw/zinc/74/94/43/739749443.db2.gz QIVDROUAKDTECS-CQSZACIVSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001065539574 739749848 /nfs/dbraw/zinc/74/98/48/739749848.db2.gz CXZOWZCODVICPI-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001065570055 739767577 /nfs/dbraw/zinc/76/75/77/739767577.db2.gz HKMHPNZMOWLWRO-KBPBESRZSA-N 2 0 326.441 -0.624 20 0 EBADRP C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001065575017 739771734 /nfs/dbraw/zinc/77/17/34/739771734.db2.gz RJHWLCKWMKKYPX-OAHLLOKOSA-N 2 0 340.468 -0.377 20 0 EBADRP CN(CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)COCC[NH+](C)C ZINC001067461967 740138547 /nfs/dbraw/zinc/13/85/47/740138547.db2.gz VFSBUGSBLLFWLQ-HNNXBMFYSA-N 2 0 342.484 -0.177 20 0 EBADRP CN(CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)COCC[NH+](C)C ZINC001067461968 740138588 /nfs/dbraw/zinc/13/85/88/740138588.db2.gz VFSBUGSBLLFWLQ-OAHLLOKOSA-N 2 0 342.484 -0.177 20 0 EBADRP C[NH+](C)CCC(=O)N1CC2(C1)CN(C(=O)[C@H]1CCC[N@@H+]1C)CCO2 ZINC001068356700 740294415 /nfs/dbraw/zinc/29/44/15/740294415.db2.gz FHLLLGAXUFNIIO-CQSZACIVSA-N 2 0 338.452 -0.528 20 0 EBADRP CC[C@@H](C(=O)N1CCOC2(CN(C(=O)CC[NH+](C)C)C2)C1)[NH+](C)C ZINC001068416627 740320279 /nfs/dbraw/zinc/32/02/79/740320279.db2.gz VVHIDPFJOBLNJR-AWEZNQCLSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCOC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068447306 740328847 /nfs/dbraw/zinc/32/88/47/740328847.db2.gz AUIHXYRGHTVGIS-UHFFFAOYSA-N 2 0 340.468 -0.280 20 0 EBADRP C[NH+](C)CCC(=O)NCC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC001070041790 740671010 /nfs/dbraw/zinc/67/10/10/740671010.db2.gz OQQXSGWRHUYCFU-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001070209288 740749655 /nfs/dbraw/zinc/74/96/55/740749655.db2.gz XBXAQNNYONEFTC-MJBXVCDLSA-N 2 0 336.440 -0.515 20 0 EBADRP CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@@H]1n1ccnn1 ZINC001070238364 740764578 /nfs/dbraw/zinc/76/45/78/740764578.db2.gz IAELAUNRQZXZSI-CLPSQLOGSA-N 2 0 346.435 -0.497 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070553765 740861246 /nfs/dbraw/zinc/86/12/46/740861246.db2.gz FIFUGQPUOXXERJ-KCQAQPDRSA-N 2 0 348.451 -0.869 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCO)C2)CC[N@@H+]1C ZINC001070650274 740909179 /nfs/dbraw/zinc/90/91/79/740909179.db2.gz RRWFQPIERPSFDU-KBUPBQIOSA-N 2 0 335.452 -0.363 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001070689923 740921052 /nfs/dbraw/zinc/92/10/52/740921052.db2.gz XEZSQGOJTBHATD-MGPQQGTHSA-N 2 0 348.451 -0.869 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@H]1CCC(=O)NC1=O)C2 ZINC001072858879 741505045 /nfs/dbraw/zinc/50/50/45/741505045.db2.gz MCCMJEPMZDJHSU-KBPBESRZSA-N 2 0 348.447 -0.190 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CC3(C2)CC[NH+]([C@H]2CCC(=O)NC2=O)C3)C1 ZINC001072983003 741534506 /nfs/dbraw/zinc/53/45/06/741534506.db2.gz IEKADWSKBVCEDG-KBPBESRZSA-N 2 0 348.447 -0.332 20 0 EBADRP O=C(N1CC2(C1)CC[N@@H+]([C@@H]1CCC(=O)NC1=O)C2)C12CC[NH+](CC1)C2 ZINC001073130046 741567381 /nfs/dbraw/zinc/56/73/81/741567381.db2.gz KALPKZUTHLWXQW-CYBMUJFWSA-N 2 0 346.431 -0.578 20 0 EBADRP O=C(NC[C@H]1C[N@H+](CCO)CCCO1)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001073700647 741713792 /nfs/dbraw/zinc/71/37/92/741713792.db2.gz SNQNGVVSRIEJDU-KRIMKBQASA-N 2 0 339.436 -0.951 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[NH+](CCn3cncn3)CCCO2)C1 ZINC001073891931 741777000 /nfs/dbraw/zinc/77/70/00/741777000.db2.gz VRZHBBMZJKQLPG-CABCVRRESA-N 2 0 336.440 -0.563 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001074565077 742000132 /nfs/dbraw/zinc/00/01/32/742000132.db2.gz RMDUUZIYCISZHU-IHRRRGAJSA-N 2 0 336.436 -0.191 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)[C@@H]1C)[NH+](C)C ZINC001074711019 742082481 /nfs/dbraw/zinc/08/24/81/742082481.db2.gz NHSURQKETZGKCQ-SOUVJXGZSA-N 2 0 340.468 -0.236 20 0 EBADRP C[C@H]1[C@@H]([NH2+][C@@H]2CCNC2=O)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC001075003211 742156296 /nfs/dbraw/zinc/15/62/96/742156296.db2.gz DCVJTMSCSARPHW-AEGPPILISA-N 2 0 338.452 -0.435 20 0 EBADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C[NH2+]Cc1nnnn1C ZINC001075355433 742217016 /nfs/dbraw/zinc/21/70/16/742217016.db2.gz KWGNHAFBVVFALR-UONOGXRCSA-N 2 0 347.467 -0.120 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@H]3C[N@H+](CCCO)C[C@H]32)cn1 ZINC001076349235 742445480 /nfs/dbraw/zinc/44/54/80/742445480.db2.gz BZXNMFXCOQVIAA-GOEBONIOSA-N 2 0 335.452 -0.027 20 0 EBADRP Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077002918 742690224 /nfs/dbraw/zinc/69/02/24/742690224.db2.gz MDHMAFNHTJNQGC-BRWVUGGUSA-N 2 0 347.463 -0.534 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2O)CC[N@@H+]1C ZINC001077023733 742699974 /nfs/dbraw/zinc/69/99/74/742699974.db2.gz PWPOBKUEAPJFDE-DTZQCDIJSA-N 2 0 325.453 -0.086 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]2O)CC1 ZINC001077618454 743121691 /nfs/dbraw/zinc/12/16/91/743121691.db2.gz IXYROTZURGCZNA-NUEKZKHPSA-N 2 0 325.453 -0.084 20 0 EBADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)CC1 ZINC001077778964 743244583 /nfs/dbraw/zinc/24/45/83/743244583.db2.gz AIFYRBZMHAOAQZ-HZPDHXFCSA-N 2 0 335.452 -0.224 20 0 EBADRP C[C@@H](CCNC(=O)CCC[NH+](C)C)NC(=O)COCC[NH+](C)C ZINC001078083618 743457661 /nfs/dbraw/zinc/45/76/61/743457661.db2.gz HHOTZBVMIMWFEA-AWEZNQCLSA-N 2 0 330.473 -0.083 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@H]2O)C1 ZINC001078175964 743517953 /nfs/dbraw/zinc/51/79/53/743517953.db2.gz USLPHWBAKGWWQF-RBSFLKMASA-N 2 0 338.452 -0.888 20 0 EBADRP Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001078507301 743684532 /nfs/dbraw/zinc/68/45/32/743684532.db2.gz ABDQSBJLVFAQTM-HNNXBMFYSA-N 2 0 336.440 -0.382 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCCO[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001078508859 743685225 /nfs/dbraw/zinc/68/52/25/743685225.db2.gz ZNEKHEXAXKIQCW-LSDHHAIUSA-N 2 0 338.452 -0.432 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C23CCC3)cn1 ZINC001078747645 743727927 /nfs/dbraw/zinc/72/79/27/743727927.db2.gz SRPFXWYLBUINRU-KGLIPLIRSA-N 2 0 348.451 -0.439 20 0 EBADRP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1CC2(C1)CCC[N@@H+](CCO)C2 ZINC000981901666 806322010 /nfs/dbraw/zinc/32/20/10/806322010.db2.gz RBHOTOJCZWEMHS-CSLYMUCUSA-N 2 0 335.448 -0.234 20 0 EBADRP O=C(N1CC2(C1)CCC[N@@H+]([C@H]1CCNC1=O)C2)C12CC[NH+](CC1)C2 ZINC000982120289 806403608 /nfs/dbraw/zinc/40/36/08/806403608.db2.gz RQMWRFYVXDXOQV-AWEZNQCLSA-N 2 0 332.448 -0.105 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000982150902 806412164 /nfs/dbraw/zinc/41/21/64/806412164.db2.gz ZPMSBFKBEXKYAG-HNNXBMFYSA-N 2 0 325.453 -0.129 20 0 EBADRP CC(C)(O)C[NH+]1CCN(CCN2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000114718467 803753600 /nfs/dbraw/zinc/75/36/00/803753600.db2.gz LMSCBBDCPXNQHI-UHFFFAOYSA-N 2 0 342.528 -0.237 20 0 EBADRP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000976861400 803914067 /nfs/dbraw/zinc/91/40/67/803914067.db2.gz JXZLIQUFCGAFLQ-GAGVYUBLSA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]21 ZINC000977197498 804206048 /nfs/dbraw/zinc/20/60/48/804206048.db2.gz SUOFIQZFFARBST-NBFUAULTSA-N 2 0 334.464 -0.005 20 0 EBADRP CN1CC[C@@H]([N@H+]2C[C@@H]3[C@@H](CNC(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC000978661527 804909934 /nfs/dbraw/zinc/90/99/34/804909934.db2.gz BLBUONVPNAZHCF-LVQVYYBASA-N 2 0 334.464 -0.147 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC000978662991 804910940 /nfs/dbraw/zinc/91/09/40/804910940.db2.gz CKFOFUWVESFKFJ-APIJFGDWSA-N 2 0 348.447 -0.573 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000983323384 806986583 /nfs/dbraw/zinc/98/65/83/806986583.db2.gz UADWIEFQJUAEPD-ZQDZILKHSA-N 2 0 343.493 0.000 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000983690431 807083359 /nfs/dbraw/zinc/08/33/59/807083359.db2.gz CGVDCYIYUXZIIV-MRVWCRGKSA-N 2 0 333.440 -0.464 20 0 EBADRP Cn1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)nn1 ZINC000983717144 807088851 /nfs/dbraw/zinc/08/88/51/807088851.db2.gz XHYBLRMDKRDXPZ-SDADXPQNSA-N 2 0 348.451 -0.337 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)nc1=O ZINC000984050014 807155734 /nfs/dbraw/zinc/15/57/34/807155734.db2.gz ZSRAXMIWAKKRKC-JHJVBQTASA-N 2 0 336.440 -0.423 20 0 EBADRP C[C@H](C(N)=O)[N@@H+](C)C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000985786410 807582815 /nfs/dbraw/zinc/58/28/15/807582815.db2.gz BUMHGMFNWMBZII-UONOGXRCSA-N 2 0 340.468 -0.249 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC([N@H+](C)CC(N)=O)CC1 ZINC000985790710 807583307 /nfs/dbraw/zinc/58/33/07/807583307.db2.gz XWKAYKYPHQFXOP-ZDUSSCGKSA-N 2 0 326.441 -0.637 20 0 EBADRP C[C@H]1[C@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)C[NH+]1CCCC1 ZINC000987534186 807953325 /nfs/dbraw/zinc/95/33/25/807953325.db2.gz VJYAGBLLYZQKAZ-UONOGXRCSA-N 2 0 336.436 -0.190 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000990514194 808819920 /nfs/dbraw/zinc/81/99/20/808819920.db2.gz FLAIEBOJRCGXBY-HNNXBMFYSA-N 2 0 338.452 -0.482 20 0 EBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001214847507 810285389 /nfs/dbraw/zinc/28/53/89/810285389.db2.gz HNWGNBPGWCSKFF-GRYCIOLGSA-N 2 0 339.440 -0.509 20 0 EBADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001214904873 810289590 /nfs/dbraw/zinc/28/95/90/810289590.db2.gz NRESRIPIYSAMBM-WZRBSPASSA-N 2 0 327.429 -0.796 20 0 EBADRP CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001215474516 810330665 /nfs/dbraw/zinc/33/06/65/810330665.db2.gz WOCWCZIXWNOKHN-MGPQQGTHSA-N 2 0 348.513 -0.442 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001215571134 810336650 /nfs/dbraw/zinc/33/66/50/810336650.db2.gz AIRXCKUYWQGPEI-UPJWGTAASA-N 2 0 334.486 -0.688 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001216401543 810370775 /nfs/dbraw/zinc/37/07/75/810370775.db2.gz LDOONXPPYBHYCB-UKRRQHHQSA-N 2 0 340.468 -0.378 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001216515606 810375775 /nfs/dbraw/zinc/37/57/75/810375775.db2.gz SPHCUBZTXQSGDB-FRRDWIJNSA-N 2 0 341.456 -0.391 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001216515608 810375834 /nfs/dbraw/zinc/37/58/34/810375834.db2.gz SPHCUBZTXQSGDB-JHJVBQTASA-N 2 0 341.456 -0.391 20 0 EBADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216758100 810386073 /nfs/dbraw/zinc/38/60/73/810386073.db2.gz XFGKVUDOWXEPBK-OWCLPIDISA-N 2 0 343.468 -0.457 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216852414 810395795 /nfs/dbraw/zinc/39/57/95/810395795.db2.gz YUMCVQKFVPCTCC-VXGBXAGGSA-N 2 0 327.429 -0.781 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001216854055 810395828 /nfs/dbraw/zinc/39/58/28/810395828.db2.gz RWAOJUCLAHSRHI-ZIAGYGMSSA-N 2 0 338.452 -0.088 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216851721 810396418 /nfs/dbraw/zinc/39/64/18/810396418.db2.gz GTPNKUQMTZOCGW-ZIAGYGMSSA-N 2 0 348.513 -0.298 20 0 EBADRP CCOCCN1C[C@H]2OCCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@H]2C1 ZINC001218161620 810479845 /nfs/dbraw/zinc/47/98/45/810479845.db2.gz HKTRBHURVXBDDX-QKPAOTATSA-N 2 0 341.452 -0.346 20 0 EBADRP C[C@]1(C(=O)n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)CC[NH2+]C1 ZINC001218619344 810510764 /nfs/dbraw/zinc/51/07/64/810510764.db2.gz FQAPTQHNRLEEBT-KRWDZBQOSA-N 2 0 333.436 -0.057 20 0 EBADRP Cc1nc(Cl)c(N)c(=N)n1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218641285 810515625 /nfs/dbraw/zinc/51/56/25/810515625.db2.gz DCACRXYYFFJWDN-VIFPVBQESA-N 2 0 327.820 -0.703 20 0 EBADRP CCOC(=O)C1(C(=O)N(c2ncccc2N)C2CC[NH2+]CC2)C[NH2+]C1 ZINC001218694780 810520312 /nfs/dbraw/zinc/52/03/12/810520312.db2.gz DIYCKUFAFWKLRU-UHFFFAOYSA-N 2 0 347.419 -0.099 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218730492 810524946 /nfs/dbraw/zinc/52/49/46/810524946.db2.gz BUBKWWRDPOKIHM-CABCVRRESA-N 3 0 348.451 -0.489 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1cncc(N2CCOCC2)c1 ZINC001218747245 810526318 /nfs/dbraw/zinc/52/63/18/810526318.db2.gz XSMPILYEPRYRHC-ZDUSSCGKSA-N 2 0 325.438 -0.124 20 0 EBADRP Nc1ncn(C(=O)C2([NH3+])CC2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218779447 810531142 /nfs/dbraw/zinc/53/11/42/810531142.db2.gz NJABMYOBJMOBRJ-BDAKNGLRSA-N 2 0 340.815 -0.879 20 0 EBADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]C[C@H](O)C1 ZINC001218879381 810538578 /nfs/dbraw/zinc/53/85/78/810538578.db2.gz AVFJDAYWYVKMJX-QWHCGFSZSA-N 2 0 332.404 -0.359 20 0 EBADRP COC(=O)CC[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218879889 810538794 /nfs/dbraw/zinc/53/87/94/810538794.db2.gz KJAAZUNMGYJDHH-ZDUSSCGKSA-N 2 0 348.403 -0.049 20 0 EBADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001218880180 810540016 /nfs/dbraw/zinc/54/00/16/810540016.db2.gz SPOSAMICPGYKJY-SCLBCKFNSA-N 2 0 343.431 -0.378 20 0 EBADRP CN1CC[NH2+]C[C@H]1C(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218881679 810540240 /nfs/dbraw/zinc/54/02/40/810540240.db2.gz AIAVWVIQSZIKDW-HNNXBMFYSA-N 2 0 331.420 -0.426 20 0 EBADRP COc1cc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c(C(N)=O)cc1OC ZINC001218969045 810551330 /nfs/dbraw/zinc/55/13/30/810551330.db2.gz UKCSCEQYXOIZPW-VIFPVBQESA-N 2 0 342.421 -0.240 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc2c(c1)[nH]c(=O)[nH]c2=O ZINC001218990279 810552223 /nfs/dbraw/zinc/55/22/23/810552223.db2.gz HCHXSUMYZQYNDW-GFCCVEGCSA-N 2 0 346.391 -0.270 20 0 EBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001219117895 810588260 /nfs/dbraw/zinc/58/82/60/810588260.db2.gz GQFFSPJOSSKRRB-HNNXBMFYSA-N 2 0 331.420 -0.097 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2 ZINC001219542998 810743318 /nfs/dbraw/zinc/74/33/18/810743318.db2.gz ZTOXUOCACXWLHP-XEZPLFJOSA-N 3 0 345.447 -0.177 20 0 EBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]([NH3+])CCCNC(=O)c2cnccn2)C1 ZINC001219640971 810782849 /nfs/dbraw/zinc/78/28/49/810782849.db2.gz DNZYQACDARVQIW-IHRRRGAJSA-N 2 0 348.451 -0.324 20 0 EBADRP O=C(NCCC1(O)C[NH2+]C1)[C@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001219697882 810800032 /nfs/dbraw/zinc/80/00/32/810800032.db2.gz ZNVMUIMOVYCRQK-OAHLLOKOSA-N 2 0 331.416 -0.091 20 0 EBADRP O=C(NCCC1(O)C[NH2+]C1)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001219696521 810800237 /nfs/dbraw/zinc/80/02/37/810800237.db2.gz JTCANALTZMCXPF-KSSFIOAISA-N 2 0 330.432 -0.447 20 0 EBADRP CS(=O)(=O)c1ccc(CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)nc1 ZINC001219716471 810806038 /nfs/dbraw/zinc/80/60/38/810806038.db2.gz OUYPLOLGPNXRKP-ZDUSSCGKSA-N 2 0 326.422 -0.572 20 0 EBADRP N[C@@H](C[NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219722501 810808982 /nfs/dbraw/zinc/80/89/82/810808982.db2.gz BLMUYLLEHXKKES-SJORKVTESA-N 3 0 345.491 -0.110 20 0 EBADRP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219736385 810816023 /nfs/dbraw/zinc/81/60/23/810816023.db2.gz CDBCVPOODGUTQW-CABCVRRESA-N 2 0 347.415 -0.058 20 0 EBADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)c1cccnc1O[C@@H]1CC[NH2+]C1 ZINC001219738974 810817145 /nfs/dbraw/zinc/81/71/45/810817145.db2.gz DCDNEEGKWBPBHX-OLZOCXBDSA-N 2 0 332.404 -0.069 20 0 EBADRP NC(=O)NCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741879 810818447 /nfs/dbraw/zinc/81/84/47/810818447.db2.gz WXSFBKXYOJYOCQ-NEPJUHHUSA-N 2 0 327.429 -0.820 20 0 EBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743793 810819697 /nfs/dbraw/zinc/81/96/97/810819697.db2.gz MESNZDHQJAHBEH-IHRRRGAJSA-N 2 0 338.452 -0.258 20 0 EBADRP COc1ccc([C@@H]([NH3+])CC(=O)NCc2nnc3n2CCC[NH2+]C3)cn1 ZINC001219747425 810821727 /nfs/dbraw/zinc/82/17/27/810821727.db2.gz VBGFYTCJFNJLAU-LBPRGKRZSA-N 2 0 345.407 -0.119 20 0 EBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001219748963 810823106 /nfs/dbraw/zinc/82/31/06/810823106.db2.gz FMWSYOVQCFTZAJ-LRDDRELGSA-N 2 0 334.424 -0.454 20 0 EBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001219749519 810823131 /nfs/dbraw/zinc/82/31/31/810823131.db2.gz OIBNXPVGYMUZBM-KGLIPLIRSA-N 2 0 347.467 -0.396 20 0 EBADRP [NH3+][C@H](Cc1cccc(O)c1)C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219750237 810823440 /nfs/dbraw/zinc/82/34/40/810823440.db2.gz YTKIAUNFYIXCSV-CYBMUJFWSA-N 2 0 330.392 -0.337 20 0 EBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1C[C@@H](C(F)(F)F)C[NH2+]1 ZINC001219750217 810823459 /nfs/dbraw/zinc/82/34/59/810823459.db2.gz XNXJJDSURHPFNA-RKDXNWHRSA-N 2 0 332.330 -0.072 20 0 EBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219749859 810823689 /nfs/dbraw/zinc/82/36/89/810823689.db2.gz RSGKZCNTCQFXAZ-ZDUSSCGKSA-N 3 0 337.472 -0.117 20 0 EBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001219791724 810842861 /nfs/dbraw/zinc/84/28/61/810842861.db2.gz UFEHNGLEBKGEPD-ZFWWWQNUSA-N 2 0 333.436 -0.418 20 0 EBADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)NCC[C@@H]2CCOC23C[NH2+]C3)cc1 ZINC001219800829 810846995 /nfs/dbraw/zinc/84/69/95/810846995.db2.gz OCUCISJKDAYWOR-CABCVRRESA-N 2 0 346.431 -0.460 20 0 EBADRP NCc1ncc(C(=O)NCc2cc(=O)n3c(n2)CNCCC3)s1 ZINC001219807691 810854003 /nfs/dbraw/zinc/85/40/03/810854003.db2.gz LKSBBHXFUHSFNE-UHFFFAOYSA-N 2 0 334.405 -0.418 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CC(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219814831 810858485 /nfs/dbraw/zinc/85/84/85/810858485.db2.gz NFPTYYZXAIVLAD-OVWQWFNUSA-N 2 0 333.432 -0.340 20 0 EBADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001219813695 810858825 /nfs/dbraw/zinc/85/88/25/810858825.db2.gz ZPHIBZHLTRUZGD-WSMBLCCSSA-N 2 0 336.436 -0.918 20 0 EBADRP [NH3+][C@@H](Cc1cscn1)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833397 810868377 /nfs/dbraw/zinc/86/83/77/810868377.db2.gz COAHAZKBKBGGBF-ZLDLUXBVSA-N 2 0 340.449 -0.476 20 0 EBADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1C[NH2+]Cc2ccnn2C1 ZINC001219833854 810868667 /nfs/dbraw/zinc/86/86/67/810868667.db2.gz LABGZAVGAOBQSP-CKEIUWERSA-N 2 0 349.435 -0.886 20 0 EBADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1 ZINC001219833194 810868801 /nfs/dbraw/zinc/86/88/01/810868801.db2.gz ADNMIJBNJIECCN-JGFGOLAASA-N 2 0 339.436 -0.735 20 0 EBADRP CN(CC(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1CCC[NH2+]C1 ZINC001219838465 810870668 /nfs/dbraw/zinc/87/06/68/810870668.db2.gz QRVJFGRKGLXQQC-HLLBOEOZSA-N 2 0 340.468 -0.819 20 0 EBADRP C[NH2+][C@@H]1CCCN(CC(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)C1 ZINC001219837983 810870981 /nfs/dbraw/zinc/87/09/81/810870981.db2.gz NKICMAKDPCBAMT-INMHGKMJSA-N 2 0 340.468 -0.819 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219836629 810871179 /nfs/dbraw/zinc/87/11/79/810871179.db2.gz BCHMNBBBOZAATB-IJEWVQPXSA-N 3 0 328.457 -0.656 20 0 EBADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1ncn2c1C[NH2+]CC2 ZINC001219844696 810874913 /nfs/dbraw/zinc/87/49/13/810874913.db2.gz PXPDREYIUZHHBU-MLGOLLRUSA-N 2 0 335.408 -0.889 20 0 EBADRP COC(=O)[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)c1ccc(O)cc1 ZINC001219885542 810893956 /nfs/dbraw/zinc/89/39/56/810893956.db2.gz QWXUGGAMZNCRTM-SUYBPPKGSA-N 2 0 333.388 -0.078 20 0 EBADRP COC(=O)C1(NC(=O)C[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)CC[NH2+]CC1 ZINC001219999224 810940670 /nfs/dbraw/zinc/94/06/70/810940670.db2.gz NOIIBBXPFZTETB-BBRMVZONSA-N 2 0 339.436 -0.053 20 0 EBADRP COC(=O)C1(NC(=O)C2([NH3+])CCC3(CC2)OCCO3)CC[NH2+]CC1 ZINC001220001124 810941164 /nfs/dbraw/zinc/94/11/64/810941164.db2.gz IBEMMCDOPVHUKD-UHFFFAOYSA-N 2 0 341.408 -0.588 20 0 EBADRP COC(=O)C1(NC(=O)[C@H]2CC[C@@]3(C2)C[NH2+]CCO3)CC[NH2+]CC1 ZINC001220001117 810942263 /nfs/dbraw/zinc/94/22/63/810942263.db2.gz HZQSTLSNGUABGB-SWLSCSKDSA-N 2 0 325.409 -0.444 20 0 EBADRP COC(=O)C1(NC(=O)[C@@H]2CCCCN2[C@@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC001220001620 810942286 /nfs/dbraw/zinc/94/22/86/810942286.db2.gz TWAVRNILFDIQRG-KGLIPLIRSA-N 2 0 338.452 -0.386 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1cncnc1 ZINC001220007594 810944734 /nfs/dbraw/zinc/94/47/34/810944734.db2.gz QFMAVMXWUBJFLV-KBPBESRZSA-N 2 0 334.424 -0.460 20 0 EBADRP CC(C)(C)OC(=O)C1(NC(=O)[C@@H]2C[NH2+]C[C@@H]2O)CCC([NH3+])CC1 ZINC001220039931 810957777 /nfs/dbraw/zinc/95/77/77/810957777.db2.gz YWEWEVRQSAIANW-QNGPIJNLSA-N 2 0 327.425 -0.335 20 0 EBADRP O=C(NCCCCCCN1C(=O)C=CC1=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220126755 810993346 /nfs/dbraw/zinc/99/33/46/810993346.db2.gz CKGHLBLXHLZSJU-CYBMUJFWSA-N 2 0 334.420 -0.603 20 0 EBADRP Cc1ncc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])cn1 ZINC001220176854 811007998 /nfs/dbraw/zinc/00/79/98/811007998.db2.gz KIMWOQJJYBDZMU-GJZGRUSLSA-N 2 0 348.451 -0.151 20 0 EBADRP COC(=O)[C@]1(NC(=O)C[C@@H](O)C[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC001220225267 811023033 /nfs/dbraw/zinc/02/30/33/811023033.db2.gz FSCMQUBKPARSOE-PBHICJAKSA-N 2 0 335.404 -0.370 20 0 EBADRP COC(=O)[C@@]1(NC(=O)[C@@]2(N)CC[NH2+]C2)CC[N@H+](Cc2ccccc2)C1 ZINC001220228611 811025739 /nfs/dbraw/zinc/02/57/39/811025739.db2.gz RFVYIXYTCZTDOD-QZTJIDSGSA-N 2 0 346.431 -0.389 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O ZINC001220238594 811032749 /nfs/dbraw/zinc/03/27/49/811032749.db2.gz XIBVZGJPTBVZHO-MJBXVCDLSA-N 2 0 336.440 -0.732 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCNC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001220254479 811036735 /nfs/dbraw/zinc/03/67/35/811036735.db2.gz QGRXTTGSVOWKMC-STQMWFEESA-N 2 0 328.457 -0.155 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCC(=O)Nc1nccs1 ZINC001220272837 811041781 /nfs/dbraw/zinc/04/17/81/811041781.db2.gz PANYDMWKWNIFMC-NSHDSACASA-N 2 0 340.453 -0.662 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC3(C[NH+](CCN4CCNC4=O)C3)CC2)C1 ZINC001035852595 811042066 /nfs/dbraw/zinc/04/20/66/811042066.db2.gz SCDNMCUAXVMEGG-OAHLLOKOSA-N 2 0 349.479 -0.112 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCNC(=O)Nc1ccccc1 ZINC001220341253 811062479 /nfs/dbraw/zinc/06/24/79/811062479.db2.gz UZBPFLMWEPYKRE-OAHLLOKOSA-N 2 0 348.451 -0.325 20 0 EBADRP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC[NH+](C)CC1 ZINC001220345405 811063442 /nfs/dbraw/zinc/06/34/42/811063442.db2.gz HXVSQXGJDFAZCR-ZDUSSCGKSA-N 3 0 326.441 -0.543 20 0 EBADRP CCOC(=O)C1(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC[NH+](C)CC1 ZINC001220345813 811064017 /nfs/dbraw/zinc/06/40/17/811064017.db2.gz PJOKEJVXALIUNT-CZUORRHYSA-N 3 0 338.452 -0.671 20 0 EBADRP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220367425 811075364 /nfs/dbraw/zinc/07/53/64/811075364.db2.gz XQGSSMVCEDTTNR-MJBXVCDLSA-N 2 0 331.457 -0.867 20 0 EBADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1[NH2+]Cc1nnnn1C ZINC001036162938 811112564 /nfs/dbraw/zinc/11/25/64/811112564.db2.gz XNYYBAVRCXUZJR-OCCSQVGLSA-N 2 0 335.456 -0.122 20 0 EBADRP CC(C)[C@H](NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C(=O)N1CCOCC1 ZINC001220453336 811113294 /nfs/dbraw/zinc/11/32/94/811113294.db2.gz CEODTGNLNXMVSD-KGLIPLIRSA-N 2 0 326.441 -0.687 20 0 EBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)O1 ZINC001220481251 811122290 /nfs/dbraw/zinc/12/22/90/811122290.db2.gz ASCUOQFYRGBQOK-DSJMHWKBSA-N 3 0 330.473 -0.113 20 0 EBADRP CN(CC[NH3+])CCNC(=O)c1ccc2c(c1)[C@H]1C[NH2+]C[C@H]1NC2=O ZINC001220517638 811133951 /nfs/dbraw/zinc/13/39/51/811133951.db2.gz UKZJUFNFHTYMKD-HUUCEWRRSA-N 2 0 331.420 -0.894 20 0 EBADRP CN(CC[NH3+])CCNC(=O)c1ccc2c(c1)[C@H]1C[NH2+]C[C@@H]1NC2=O ZINC001220517636 811134329 /nfs/dbraw/zinc/13/43/29/811134329.db2.gz UKZJUFNFHTYMKD-CABCVRRESA-N 2 0 331.420 -0.894 20 0 EBADRP [NH3+]CCOCCOCCNC(=O)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001220519704 811135871 /nfs/dbraw/zinc/13/58/71/811135871.db2.gz YNQROYDZHRLWMP-GDBMZVCRSA-N 2 0 329.441 -0.357 20 0 EBADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036292390 811135955 /nfs/dbraw/zinc/13/59/55/811135955.db2.gz CTWLDOUEFSOSSB-STQMWFEESA-N 2 0 336.440 -0.469 20 0 EBADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]CCN1CCNC1=O ZINC001036299761 811136883 /nfs/dbraw/zinc/13/68/83/811136883.db2.gz SCAKIRODCVELDR-GJZGRUSLSA-N 2 0 337.468 -0.066 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]CC23CCOCC3)CC[NH2+]C1 ZINC001220521564 811137261 /nfs/dbraw/zinc/13/72/61/811137261.db2.gz IRQLSCVHYRORMV-CYBMUJFWSA-N 2 0 337.420 -0.071 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]C[C@H]2OC(C)=O)CC[NH2+]C1 ZINC001220523522 811138524 /nfs/dbraw/zinc/13/85/24/811138524.db2.gz RCNWSELIEWEDRY-WCQYABFASA-N 2 0 325.365 -0.936 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])C2CCC(O)CC2)CC[NH2+]C1 ZINC001220523063 811138988 /nfs/dbraw/zinc/13/89/88/811138988.db2.gz IUSXKZROGVVFRE-MGULZYLOSA-N 2 0 325.409 -0.209 20 0 EBADRP CC(C)([NH3+])CN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)S(=O)(=O)c1ccccc1 ZINC001220535924 811144526 /nfs/dbraw/zinc/14/45/26/811144526.db2.gz PYBJVQNYOZQMIS-DGCLKSJQSA-N 2 0 341.433 -0.336 20 0 EBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220649150 811187486 /nfs/dbraw/zinc/18/74/86/811187486.db2.gz SVAULOHQSYYEMQ-CQSZACIVSA-N 2 0 334.420 -0.007 20 0 EBADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001220651166 811188282 /nfs/dbraw/zinc/18/82/82/811188282.db2.gz DZJGVPOWBOUDPY-INIZCTEOSA-N 2 0 343.431 -0.810 20 0 EBADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001220651193 811189091 /nfs/dbraw/zinc/18/90/91/811189091.db2.gz GFYNOFVAJMTTSK-QAPCUYQASA-N 2 0 329.448 -0.336 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@@H]1O ZINC001220768267 811234068 /nfs/dbraw/zinc/23/40/68/811234068.db2.gz DCFYTDREWSSVLC-OAGGEKHMSA-N 2 0 343.468 -0.457 20 0 EBADRP CCO[C@H](C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1)C1CC1 ZINC001220768329 811235081 /nfs/dbraw/zinc/23/50/81/811235081.db2.gz HIQQOUKXXRPJKT-OWCLPIDISA-N 2 0 343.468 -0.459 20 0 EBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220789334 811244081 /nfs/dbraw/zinc/24/40/81/811244081.db2.gz KMWUCVRTCDDNEZ-MGPQQGTHSA-N 2 0 334.424 -0.376 20 0 EBADRP CCOC(=O)C1=C(NC(=O)c2cccnc2O[C@H]2CC[NH2+]C2)C[NH2+]C1 ZINC001220834067 811262395 /nfs/dbraw/zinc/26/23/95/811262395.db2.gz GLRDZJMLMDGTJP-NSHDSACASA-N 2 0 346.387 -0.028 20 0 EBADRP CCOC(=O)C1(NC(=O)[C@@H]2C[C@H](Oc3ccccc3)C[NH2+]2)C[NH2+]C1 ZINC001220851031 811267092 /nfs/dbraw/zinc/26/70/92/811267092.db2.gz DUWZVRDDHGJAAZ-KBPBESRZSA-N 2 0 333.388 -0.183 20 0 EBADRP O=C(CNC(=O)[C@@H]1C[NH2+]C[C@H]1O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220901407 811288501 /nfs/dbraw/zinc/28/85/01/811288501.db2.gz YNCJBVCESFLCEY-HUUCEWRRSA-N 2 0 338.452 -0.840 20 0 EBADRP O=C(CNC(=O)[C@H]1C[NH2+]C[C@H]1O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220901408 811288637 /nfs/dbraw/zinc/28/86/37/811288637.db2.gz YNCJBVCESFLCEY-LSDHHAIUSA-N 2 0 338.452 -0.840 20 0 EBADRP CCc1ccc(CN(CC[NH3+])C(=O)[C@H]2COC3(C[NH2+]C3)CN2)cc1 ZINC001220903136 811288830 /nfs/dbraw/zinc/28/88/30/811288830.db2.gz MOVFLKHXVDZTSC-MRXNPFEDSA-N 2 0 332.448 -0.133 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220936041 811301457 /nfs/dbraw/zinc/30/14/57/811301457.db2.gz BTENUQYTFQWAFS-GJZGRUSLSA-N 2 0 334.420 -0.833 20 0 EBADRP O=C(NCCO[C@@H]1CC[NH2+]C1)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@H]1NC2=O ZINC001220939658 811302379 /nfs/dbraw/zinc/30/23/79/811302379.db2.gz RLYQEFWKJUTKHG-UHOFOFEASA-N 2 0 344.415 -0.406 20 0 EBADRP [NH3+]C1(C(=O)NCc2ccccc2)CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001220970830 811317030 /nfs/dbraw/zinc/31/70/30/811317030.db2.gz JCJYDKBZWXGXED-GJZGRUSLSA-N 2 0 346.431 -0.797 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O ZINC001220986116 811328214 /nfs/dbraw/zinc/32/82/14/811328214.db2.gz SVJWXMYZMVKMRM-BMFZPTHFSA-N 2 0 325.453 -0.084 20 0 EBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221121540 811385468 /nfs/dbraw/zinc/38/54/68/811385468.db2.gz ITAKAHAGVPXEAA-CYBMUJFWSA-N 2 0 334.424 -0.448 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)c1cccnc1O[C@@H]1CC[NH2+]C1 ZINC001221190414 811412715 /nfs/dbraw/zinc/41/27/15/811412715.db2.gz MNAOIZZPFPUDKZ-YPMHNXCESA-N 2 0 336.392 -0.167 20 0 EBADRP CC(C)(O)[C@H](F)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001221260094 811429266 /nfs/dbraw/zinc/42/92/66/811429266.db2.gz GZDVGFLXLOUZLP-RWMBFGLXSA-N 2 0 346.447 -0.341 20 0 EBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H](C)[C@H]1NC(=O)[C@@H]1[C@@H](C)O ZINC001221392243 811448945 /nfs/dbraw/zinc/44/89/45/811448945.db2.gz UEVDQABZDYSNLU-IRCOFANPSA-N 2 0 327.429 -0.818 20 0 EBADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)NC1(CO)CC[NH+](C)CC1 ZINC001221403130 811450806 /nfs/dbraw/zinc/45/08/06/811450806.db2.gz QWLMMQQEVNFFDD-LBPRGKRZSA-N 2 0 329.441 -0.121 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221413884 811452324 /nfs/dbraw/zinc/45/23/24/811452324.db2.gz MRCOKTFIELVMOI-DZGCQCFKSA-N 2 0 340.468 -0.251 20 0 EBADRP CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916955 811736464 /nfs/dbraw/zinc/73/64/64/811736464.db2.gz WIXBUZGIPBZONK-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP NC(=O)NC(=O)C[NH+]1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001225154599 811796135 /nfs/dbraw/zinc/79/61/35/811796135.db2.gz CDVPFRLIJFXGJF-UHFFFAOYSA-N 2 0 337.424 -0.895 20 0 EBADRP COC[C@H](O)C[NH+]1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001225154733 811796258 /nfs/dbraw/zinc/79/62/58/811796258.db2.gz HJALUXPDGMWOJM-OAHLLOKOSA-N 2 0 325.453 -0.082 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC001225155394 811796387 /nfs/dbraw/zinc/79/63/87/811796387.db2.gz VSBITRPBHYIKSU-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCC2CC[NH+](CC(=O)NC(N)=O)CC2)C1 ZINC001225168368 811796877 /nfs/dbraw/zinc/79/68/77/811796877.db2.gz VHHFBUDEJHZXLK-CYBMUJFWSA-N 2 0 339.440 -0.649 20 0 EBADRP C[NH+](C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001226801192 811884640 /nfs/dbraw/zinc/88/46/40/811884640.db2.gz UXSGUCXIEAHQNS-BZPMIXESSA-N 2 0 339.440 -0.462 20 0 EBADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O)[NH+](C)C ZINC001227057513 811900990 /nfs/dbraw/zinc/90/09/90/811900990.db2.gz SRNJFADJGJLJCM-IJLUTSLNSA-N 2 0 327.429 -0.462 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001227066016 811901510 /nfs/dbraw/zinc/90/15/10/811901510.db2.gz URFIIQMBDMRGSQ-ZIAGYGMSSA-N 2 0 340.468 -0.153 20 0 EBADRP CCN(C(=O)COCC[NH+](C)C)C1CN(C(=O)C[NH+](CC)CC)C1 ZINC001080138194 811911994 /nfs/dbraw/zinc/91/19/94/811911994.db2.gz BNGRUSJOWSNECO-UHFFFAOYSA-N 2 0 342.484 -0.034 20 0 EBADRP COC[C@@H](O)C[NH+]1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001227408827 811921562 /nfs/dbraw/zinc/92/15/62/811921562.db2.gz YPMVGADWTIZXJP-HOTGVXAUSA-N 2 0 325.453 -0.084 20 0 EBADRP O=C(NC1CC[NH+](CCOCCO)CC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001227454800 811922803 /nfs/dbraw/zinc/92/28/03/811922803.db2.gz VCTMYDOMBUNGJU-HZPDHXFCSA-N 2 0 341.452 -0.561 20 0 EBADRP CC[C@H](C(=O)NC1CC[NH+](C[C@@H](O)COCCOC)CC1)[NH+](C)C ZINC001227986372 811954090 /nfs/dbraw/zinc/95/40/90/811954090.db2.gz FPDUZHOMPSQFLW-HZPDHXFCSA-N 2 0 345.484 -0.069 20 0 EBADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+](C)C ZINC001228646505 811992732 /nfs/dbraw/zinc/99/27/32/811992732.db2.gz GTLHNGOPEZNPGM-UPJWGTAASA-N 2 0 338.456 -0.034 20 0 EBADRP CC[C@@H](C(=O)NC1CC[NH+](C[C@@H](O)COCCOC)CC1)[NH+](C)C ZINC001229253395 812022685 /nfs/dbraw/zinc/02/26/85/812022685.db2.gz FPDUZHOMPSQFLW-CVEARBPZSA-N 2 0 345.484 -0.069 20 0 EBADRP CC[N@H+](C)CCC(=O)NC1CC[NH+](C[C@H](O)COCCOC)CC1 ZINC001229909001 812061280 /nfs/dbraw/zinc/06/12/80/812061280.db2.gz QJKGHLCRJFWFEE-INIZCTEOSA-N 2 0 345.484 -0.067 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001230150034 812081013 /nfs/dbraw/zinc/08/10/13/812081013.db2.gz VEALQCARJMBIBF-BFHYXJOUSA-N 2 0 326.441 -0.543 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC(CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001080778293 812224903 /nfs/dbraw/zinc/22/49/03/812224903.db2.gz BZJOXOMWWSRHPW-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP c1ncn(-c2cccc(CN3CC[NH2+]CCNCC[NH2+]CC3)c2)n1 ZINC001235872877 812514753 /nfs/dbraw/zinc/51/47/53/812514753.db2.gz ACRSVJGTRNTFOO-UHFFFAOYSA-N 2 0 329.452 -0.148 20 0 EBADRP CC(C)(C)n1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])nn1 ZINC001236315940 812516595 /nfs/dbraw/zinc/51/65/95/812516595.db2.gz SOZNCLGHLIRERW-UHFFFAOYSA-N 2 0 325.461 -0.351 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001236309667 812517067 /nfs/dbraw/zinc/51/70/67/812517067.db2.gz OGFPLNYIWGAMGJ-KRWDZBQOSA-N 3 0 333.480 -0.183 20 0 EBADRP COC(=O)c1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])ccn1 ZINC001236312749 812517088 /nfs/dbraw/zinc/51/70/88/812517088.db2.gz YNBWYSWLOQZPOY-UHFFFAOYSA-N 2 0 337.424 -0.516 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccc2c(c1)CC[NH2+]C2 ZINC001236310361 812517407 /nfs/dbraw/zinc/51/74/07/812517407.db2.gz YTKFKRHKVUPXHF-UHFFFAOYSA-N 3 0 333.480 -0.052 20 0 EBADRP C(C[N@H+](CC1CC[NH2+]CC1)C[C@H]1CNCCO1)N1CCOCC1 ZINC001236399656 812517782 /nfs/dbraw/zinc/51/77/82/812517782.db2.gz PKTZYRYQRFOUKW-QGZVFWFLSA-N 2 0 326.485 -0.391 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O)C1CC[NH2+]CC1 ZINC001236911584 812519359 /nfs/dbraw/zinc/51/93/59/812519359.db2.gz FGMVGPYQZWZNMB-FZKCQIBNSA-N 2 0 343.468 -0.161 20 0 EBADRP COC(=O)CCCS(=O)(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238242176 812525219 /nfs/dbraw/zinc/52/52/19/812525219.db2.gz NDZZQBKDACOIGP-LBPRGKRZSA-N 2 0 333.454 -0.267 20 0 EBADRP CCOC(=O)[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238414607 812528493 /nfs/dbraw/zinc/52/84/93/812528493.db2.gz VBTMDRYDNNKPNH-STQMWFEESA-N 2 0 333.454 -0.553 20 0 EBADRP O=S(=O)(CC1CC[NH2+]CC1)NC1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001238812481 812532219 /nfs/dbraw/zinc/53/22/19/812532219.db2.gz QNULVMYWWWUZIR-OAHLLOKOSA-N 2 0 330.498 -0.268 20 0 EBADRP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CCN(S(=O)(=O)CC[NH3+])C2)C1 ZINC001239076930 812540777 /nfs/dbraw/zinc/54/07/77/812540777.db2.gz ICXQURTYFSYQMP-HUUCEWRRSA-N 2 0 331.482 -0.045 20 0 EBADRP [NH3+]CCS(=O)(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001239081671 812542410 /nfs/dbraw/zinc/54/24/10/812542410.db2.gz NOEBIKDROCUYIE-LSDHHAIUSA-N 2 0 340.449 -0.355 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)Cc1ccccn1 ZINC001239130896 812545906 /nfs/dbraw/zinc/54/59/06/812545906.db2.gz HXDRYRAYLSPJCM-UHFFFAOYSA-N 2 0 343.453 -0.973 20 0 EBADRP O[C@@H](C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)CO1)CC1(O)CC[NH2+]CC1 ZINC001245978302 812557030 /nfs/dbraw/zinc/55/70/30/812557030.db2.gz AWUJIJJCDAZJII-HZPDHXFCSA-N 3 0 341.496 -0.010 20 0 EBADRP O[C@@H](C[NH2+]C[C@@H]1COC2(C1)CC[NH2+]CC2)CC1(O)CC[NH2+]CC1 ZINC001245980191 812557204 /nfs/dbraw/zinc/55/72/04/812557204.db2.gz NBXGNULLGWDFMZ-HUUCEWRRSA-N 3 0 327.469 -0.400 20 0 EBADRP O[C@@H](C[NH2+][C@@H]1CCCC[C@@]12CNCCO2)CC1(O)CC[NH2+]CC1 ZINC001245981293 812557221 /nfs/dbraw/zinc/55/72/21/812557221.db2.gz CNCUNLVKDDMIEZ-BFYDXBDKSA-N 2 0 327.469 -0.257 20 0 EBADRP O[C@H](CNC[C@@]1(C(F)(F)F)CC[NH2+]C1)CC1(O)CC[NH2+]CC1 ZINC001245981169 812557572 /nfs/dbraw/zinc/55/75/72/812557572.db2.gz GYTNQMPEONQIRP-NWDGAFQWSA-N 2 0 325.375 -0.017 20 0 EBADRP O[C@H](C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)O1)CC1(O)CC[NH2+]CC1 ZINC001245988252 812558729 /nfs/dbraw/zinc/55/87/29/812558729.db2.gz UZFXNKSBCXKFGM-GJZGRUSLSA-N 3 0 327.469 -0.257 20 0 EBADRP OCCc1ccc(OC[C@@H](O)C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)cc1 ZINC001246023717 812559094 /nfs/dbraw/zinc/55/90/94/812559094.db2.gz ATZDKVGIFLOTSN-KRWDZBQOSA-N 2 0 349.475 -0.012 20 0 EBADRP OC1(C[NH+]2CCN(C3=NOC4(C3)CC[NH2+]CC4)CC2)CC[NH2+]CC1 ZINC001246030974 812560005 /nfs/dbraw/zinc/56/00/05/812560005.db2.gz GEKNNAPYMBFJLZ-UHFFFAOYSA-N 3 0 337.468 -0.426 20 0 EBADRP COC(=O)[C@H](N)[C@@H]1CCC[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246057304 812562036 /nfs/dbraw/zinc/56/20/36/812562036.db2.gz YLNIILSIVONLTG-MGPQQGTHSA-N 2 0 329.441 -0.936 20 0 EBADRP O=C([C@@H]1C[C@H]([NH2+]CCCN2CC[NH2+]CC2)CN1)N1CCSC1 ZINC001246111584 812564401 /nfs/dbraw/zinc/56/44/01/812564401.db2.gz CJGGITMWOUZYPN-KBPBESRZSA-N 2 0 327.498 -0.865 20 0 EBADRP O=C([C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)CN1)N1CCSC1 ZINC001246132952 812565792 /nfs/dbraw/zinc/56/57/92/812565792.db2.gz GQOJGZQJYCYGNQ-DGTMBMJNSA-N 2 0 326.466 -0.784 20 0 EBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)CN1 ZINC001246141224 812565852 /nfs/dbraw/zinc/56/58/52/812565852.db2.gz CYMRXOOLNDNBBW-RZLSGREXSA-N 2 0 327.425 -0.735 20 0 EBADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)CN1 ZINC001246144546 812566247 /nfs/dbraw/zinc/56/62/47/812566247.db2.gz MYZZPKHMWCHNDB-WBTNSWJXSA-N 2 0 341.452 -0.345 20 0 EBADRP O=C([C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]3[NH2+]CCO[C@@H]32)CN1)N1CCSC1 ZINC001246149579 812567442 /nfs/dbraw/zinc/56/74/42/812567442.db2.gz KDLKNFYFNWHJGY-SBJFKYEJSA-N 2 0 340.493 -0.394 20 0 EBADRP COC(=O)[C@H]1C[C@H]([NH2+]CCCOCCOCCOCCC[NH3+])CN1 ZINC001246200456 812567834 /nfs/dbraw/zinc/56/78/34/812567834.db2.gz ARAIHVBGKZEOTO-LSDHHAIUSA-N 2 0 347.456 -0.732 20 0 EBADRP O=C([C@@H]1C[C@H](NC2CN(C3CC[NH2+]CC3)C2)C[NH2+]1)N1CCSC1 ZINC001246217391 812568627 /nfs/dbraw/zinc/56/86/27/812568627.db2.gz GFIKDOHUMAHUKH-WFASDCNBSA-N 2 0 339.509 -0.724 20 0 EBADRP CCOC(=O)C1=C(N[C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[NH2+]C1 ZINC001246349218 812571203 /nfs/dbraw/zinc/57/12/03/812571203.db2.gz JXBURUNKSQNVKQ-PWSUYJOCSA-N 2 0 340.449 -0.740 20 0 EBADRP COC(=O)[C@@H](NC1C[C@H]2CC(C(=O)OC)C[C@@H](C1)[NH2+]2)[C@@H]1CC[NH2+]C1 ZINC001246493940 812574246 /nfs/dbraw/zinc/57/42/46/812574246.db2.gz BLLLNFPTRUCSQL-OSJCUTLNSA-N 2 0 339.436 -0.201 20 0 EBADRP CCOC(=O)[C@H]1C[NH2+]CCN1[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246599535 812576448 /nfs/dbraw/zinc/57/64/48/812576448.db2.gz CVXOBBDQNUXFGG-RWMBFGLXSA-N 2 0 342.465 -0.913 20 0 EBADRP O=C([C@@H]1C[C@@H](N2CCN[C@H]3CC[NH2+]CC[C@@H]32)C[NH2+]1)N1CCSC1 ZINC001246619493 812576566 /nfs/dbraw/zinc/57/65/66/812576566.db2.gz RYRFYUUTBKTXCP-QPSCCSFWSA-N 2 0 339.509 -0.724 20 0 EBADRP O=C([C@@H]1C[C@@H](N2CC[C@@H]3[NH2+]CCO[C@H]3C2)C[NH2+]1)N1CCSC1 ZINC001246621509 812576612 /nfs/dbraw/zinc/57/66/12/812576612.db2.gz CRRQNMYPQPBBLY-RFGFWPKPSA-N 2 0 326.466 -0.688 20 0 EBADRP O=C1NCC[C@@]12C[N@@H+](C1CCC3(CC1)C[NH2+]CCO3)CC21C[NH2+]C1 ZINC001246623268 812576864 /nfs/dbraw/zinc/57/68/64/812576864.db2.gz BQJAKUOXAOICOG-IUPXNIOVSA-N 3 0 334.464 -0.301 20 0 EBADRP c1ncc(O[C@@H]2C[C@H]3CN([C@H]4CCNC5(C[NH2+]C5)C4)CC[N@@H+]3C2)cn1 ZINC001246706177 812582273 /nfs/dbraw/zinc/58/22/73/812582273.db2.gz BOJAZWCQMKUGBM-HRCADAONSA-N 2 0 344.463 -0.292 20 0 EBADRP CC(=O)N1CCOC[C@@]2(C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)CCO2)C1 ZINC001246723499 812583020 /nfs/dbraw/zinc/58/30/20/812583020.db2.gz JKBMXOHPJBCQKL-RDJZCZTQSA-N 2 0 338.452 -0.970 20 0 EBADRP Cn1cc(N2C(=O)C[C@@H]3[C@H]2CC[N@H+]3[C@H]2CCNC3(C[NH2+]C3)C2)cn1 ZINC001246720130 812583197 /nfs/dbraw/zinc/58/31/97/812583197.db2.gz KTRNZAQRXMZKBR-NWANDNLSSA-N 2 0 330.436 -0.306 20 0 EBADRP CCN1C[C@H]2CC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC[C@H]2S1(=O)=O ZINC001246721252 812583317 /nfs/dbraw/zinc/58/33/17/812583317.db2.gz FJANVXRHFSOZPP-RBSFLKMASA-N 2 0 342.509 -0.174 20 0 EBADRP O=C1C[C@]2(CC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)CN1c1cncnc1 ZINC001246772956 812587943 /nfs/dbraw/zinc/58/79/43/812587943.db2.gz CKUXSKFCCJXPBL-YOEHRIQHSA-N 2 0 342.447 -0.001 20 0 EBADRP O=S1(=O)CCN(C2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)CC1 ZINC001246820429 812588889 /nfs/dbraw/zinc/58/88/89/812588889.db2.gz OQRGQNYKAITCIR-OAHLLOKOSA-N 2 0 342.509 -0.725 20 0 EBADRP COC(=O)C[C@@H]1C[NH2+]CCN1C1C[C@H]2CC(C(=O)OC)C[C@@H](C1)[NH2+]2 ZINC001246817553 812589144 /nfs/dbraw/zinc/58/91/44/812589144.db2.gz LQKZIMXTWNPVFW-OYNNJRIESA-N 2 0 339.436 -0.105 20 0 EBADRP COCCN([C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)C1CC[NH2+]CC1 ZINC001246835207 812590664 /nfs/dbraw/zinc/59/06/64/812590664.db2.gz HUHZBTIQAPEINK-CABCVRRESA-N 2 0 342.509 -0.050 20 0 EBADRP COCCN([C@@H]1CC[NH2+]C1)[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246929421 812592840 /nfs/dbraw/zinc/59/28/40/812592840.db2.gz OLSQCWGPCNGXJX-MCIONIFRSA-N 2 0 328.482 -0.440 20 0 EBADRP COC(=O)[C@H]1CN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[C@@H]1[NH3+] ZINC001246950876 812593144 /nfs/dbraw/zinc/59/31/44/812593144.db2.gz ZBQLXCAZEBOITR-CYDGBPFRSA-N 2 0 342.465 -0.928 20 0 EBADRP COCCCN([C@@H]1CC[NH2+]C1)[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246979095 812594358 /nfs/dbraw/zinc/59/43/58/812594358.db2.gz MDCUSGFHZVDPGQ-ILXRZTDVSA-N 2 0 342.509 -0.050 20 0 EBADRP CNC(=O)[C@H](CCCC[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)NC(C)=O ZINC001253410578 812679685 /nfs/dbraw/zinc/67/96/85/812679685.db2.gz MKDTUIRQSJKHPF-KBPBESRZSA-N 2 0 330.473 -0.254 20 0 EBADRP NC(=O)C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C(N)=O ZINC001254055302 812692794 /nfs/dbraw/zinc/69/27/94/812692794.db2.gz MZTOLQQKJHNIPH-AWEZNQCLSA-N 2 0 334.420 -0.668 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC(C)(C)CO1 ZINC001261896560 813006647 /nfs/dbraw/zinc/00/66/47/813006647.db2.gz JPIWBFQQEMVZHF-CQSZACIVSA-N 2 0 342.484 -0.131 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081503644 813088308 /nfs/dbraw/zinc/08/83/08/813088308.db2.gz QRDGBMKMHBHBLC-LSDHHAIUSA-N 2 0 338.452 -0.887 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081505253 813092620 /nfs/dbraw/zinc/09/26/20/813092620.db2.gz CZQZGFIESXBFBY-UONOGXRCSA-N 2 0 328.457 -0.785 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1O ZINC001081505451 813093919 /nfs/dbraw/zinc/09/39/19/813093919.db2.gz GKMWLUCOXAGPSU-CABCVRRESA-N 2 0 342.484 -0.395 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001262550778 813095745 /nfs/dbraw/zinc/09/57/45/813095745.db2.gz DARHVCXLNDZCGT-UHFFFAOYSA-N 2 0 327.473 -0.802 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2C[C@H](N3CCOCC3)C2(C)C)CC1 ZINC001262576731 813096493 /nfs/dbraw/zinc/09/64/93/813096493.db2.gz XHKBZDXCBPSOEQ-ZACQAIPSSA-N 2 0 340.512 -0.316 20 0 EBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC001263777069 813116718 /nfs/dbraw/zinc/11/67/18/813116718.db2.gz ZKKUKPAPPJXKMC-JKSUJKDBSA-N 2 0 337.512 -0.093 20 0 EBADRP C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001264559835 813181620 /nfs/dbraw/zinc/18/16/20/813181620.db2.gz SJAJDZUDRCHFHI-RDBSUJKOSA-N 2 0 338.452 -0.040 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001265001520 813215321 /nfs/dbraw/zinc/21/53/21/813215321.db2.gz ZRVLXMKCMUVHQQ-OLZOCXBDSA-N 2 0 341.456 -0.247 20 0 EBADRP CC(C)[C@H](C(=O)NCCC[N@H+](C)[C@@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001265032362 813225112 /nfs/dbraw/zinc/22/51/12/813225112.db2.gz STHDLCZDTGBGJG-TZMCWYRMSA-N 2 0 326.441 -0.184 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001265459964 813328086 /nfs/dbraw/zinc/32/80/86/813328086.db2.gz SOACFSDCGBUPIV-ZDUSSCGKSA-N 2 0 334.486 -0.544 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001265490621 813331191 /nfs/dbraw/zinc/33/11/91/813331191.db2.gz HOPGPWXEMHNOFS-JYJNAYRXSA-N 2 0 340.468 -0.140 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001265546369 813337987 /nfs/dbraw/zinc/33/79/87/813337987.db2.gz KHTYDIMWRUBBFI-XQQFMLRXSA-N 2 0 332.470 -0.743 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@H]1O ZINC001081635134 813340679 /nfs/dbraw/zinc/34/06/79/813340679.db2.gz QBKRFMGUHQMXJS-LSDHHAIUSA-N 2 0 342.484 -0.396 20 0 EBADRP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]CCN1CCNC1=O ZINC001265681921 813357746 /nfs/dbraw/zinc/35/77/46/813357746.db2.gz HPQBUEUKOJNCSS-CQSZACIVSA-N 2 0 325.457 -0.066 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CCN1C(=O)CNC1=O)[NH+](C)C ZINC001265852645 813386667 /nfs/dbraw/zinc/38/66/67/813386667.db2.gz GWQTXAVJSGGRTL-AAEUAGOBSA-N 2 0 327.429 -0.781 20 0 EBADRP COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001265905346 813410010 /nfs/dbraw/zinc/41/00/10/813410010.db2.gz JVWJRWHKNJKLOV-QLFBSQMISA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[N@H+](C)CC(=O)N(C)C ZINC001265973842 813430200 /nfs/dbraw/zinc/43/02/00/813430200.db2.gz BGPBYBOIJGUPMU-AWEZNQCLSA-N 2 0 328.457 -0.519 20 0 EBADRP C[NH+](C)C1(C(=O)N2CC[C@@H](C[NH2+]CCN3CCNC3=O)C2)CCC1 ZINC001265981921 813433321 /nfs/dbraw/zinc/43/33/21/813433321.db2.gz ABYBLUTWONWCRZ-AWEZNQCLSA-N 2 0 337.468 -0.066 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001081700948 813438132 /nfs/dbraw/zinc/43/81/32/813438132.db2.gz NTYMEAQATUAQTE-UONOGXRCSA-N 2 0 340.468 -0.785 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001081703388 813442590 /nfs/dbraw/zinc/44/25/90/813442590.db2.gz PWCGRBFKVPBGLY-GJZGRUSLSA-N 2 0 342.484 -0.395 20 0 EBADRP COCCOC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001266353114 813545648 /nfs/dbraw/zinc/54/56/48/813545648.db2.gz ONLIYGYIMBADGD-HUUCEWRRSA-N 2 0 341.452 -0.703 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C2CC2)CCC1 ZINC001266411617 813561150 /nfs/dbraw/zinc/56/11/50/813561150.db2.gz APYJCRBBFWWSIT-CHWSQXEVSA-N 2 0 336.436 -0.240 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001266583045 813613879 /nfs/dbraw/zinc/61/38/79/813613879.db2.gz KQVCPUPQRZGVBV-TUVASFSCSA-N 2 0 340.468 -0.141 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCN1CCNC1=O ZINC001266699161 813644179 /nfs/dbraw/zinc/64/41/79/813644179.db2.gz DJAHULUXHLNRMV-AWEZNQCLSA-N 2 0 325.457 -0.068 20 0 EBADRP CN(CC[NH2+]CC(=O)Nc1cnccn1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001266744040 813657647 /nfs/dbraw/zinc/65/76/47/813657647.db2.gz OCSVGQOXYWDQAS-CYBMUJFWSA-N 2 0 334.424 -0.053 20 0 EBADRP CN(CC[NH2+]CCNS(C)(=O)=O)C(=O)CC1CC[NH+](C)CC1 ZINC001266854631 813684803 /nfs/dbraw/zinc/68/48/03/813684803.db2.gz WOSJUTYPFQAQDG-UHFFFAOYSA-N 2 0 334.486 -0.685 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)N(C)CC[NH2+]CC(=O)NC(N)=O)CC1 ZINC001266935525 813703707 /nfs/dbraw/zinc/70/37/07/813703707.db2.gz HBBUUSXMJDQUCA-UHFFFAOYSA-N 2 0 327.429 -0.650 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001267025226 813739160 /nfs/dbraw/zinc/73/91/60/813739160.db2.gz OGESERQCCUIADY-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@@H](C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001267055192 813748435 /nfs/dbraw/zinc/74/84/35/813748435.db2.gz HQPKGEKFQOWBCG-AWEZNQCLSA-N 2 0 338.452 -0.085 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[NH2+]CC(=O)N1CCOCC1 ZINC001267110011 813762161 /nfs/dbraw/zinc/76/21/61/813762161.db2.gz PHIJRROYEDTDOS-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(=O)NCCOCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267306592 813837504 /nfs/dbraw/zinc/83/75/04/813837504.db2.gz WLSNNEQQJCTZQL-HZPDHXFCSA-N 2 0 340.468 -0.471 20 0 EBADRP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CCN1C(=O)CNC1=O ZINC001267311897 813844565 /nfs/dbraw/zinc/84/45/65/813844565.db2.gz IWXKJXGXVXYOJI-ZDUSSCGKSA-N 2 0 339.440 -0.539 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CCN2CCNC2=O)CC[N@@H+]1C ZINC001267375147 813864474 /nfs/dbraw/zinc/86/44/74/813864474.db2.gz WUCMPVSLQPXOEW-UONOGXRCSA-N 2 0 325.457 -0.210 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082559554 813966957 /nfs/dbraw/zinc/96/69/57/813966957.db2.gz JBGZGVZDNCGAFA-BPLDGKMQSA-N 2 0 337.468 -0.212 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCCN2C(=O)CNC2=O)C1 ZINC001267732830 814014230 /nfs/dbraw/zinc/01/42/30/814014230.db2.gz QBKSLEQLQIRJIO-ZDUSSCGKSA-N 2 0 339.440 -0.539 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082919730 814023856 /nfs/dbraw/zinc/02/38/56/814023856.db2.gz CSEISJCZTPIDID-QLFBSQMISA-N 2 0 338.452 -0.767 20 0 EBADRP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCN1C(=O)CNC1=O ZINC001267801018 814044883 /nfs/dbraw/zinc/04/48/83/814044883.db2.gz RGYNBXKMOHKZRH-QWHCGFSZSA-N 2 0 339.440 -0.493 20 0 EBADRP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCCN1C(=O)CNC1=O ZINC001267801020 814045644 /nfs/dbraw/zinc/04/56/44/814045644.db2.gz RGYNBXKMOHKZRH-STQMWFEESA-N 2 0 339.440 -0.493 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCNS(C)(=O)=O)[NH+](C)C ZINC001267968683 814079839 /nfs/dbraw/zinc/07/98/39/814079839.db2.gz AXXSAKNFFWBARK-KGLIPLIRSA-N 2 0 348.513 -0.298 20 0 EBADRP C[C@@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268087063 814121592 /nfs/dbraw/zinc/12/15/92/814121592.db2.gz PEOOQPPEGNVRGU-STQMWFEESA-N 2 0 334.486 -0.686 20 0 EBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001268133213 814131244 /nfs/dbraw/zinc/13/12/44/814131244.db2.gz DCVIUDWDIATBDM-QWHCGFSZSA-N 2 0 334.486 -0.686 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001268133212 814131417 /nfs/dbraw/zinc/13/14/17/814131417.db2.gz DCVIUDWDIATBDM-OLZOCXBDSA-N 2 0 334.486 -0.686 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001268628219 814328678 /nfs/dbraw/zinc/32/86/78/814328678.db2.gz ZUAYDXIRTIBXIQ-LYOOOYLASA-N 2 0 338.452 -0.505 20 0 EBADRP CC(=O)NCCOCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001268702739 814358937 /nfs/dbraw/zinc/35/89/37/814358937.db2.gz FRUWNGONLFKMKY-HNNXBMFYSA-N 2 0 326.441 -0.719 20 0 EBADRP CN(CCC[NH2+]CC(=O)N1CCOCC1)C(=O)C1CC[NH+](C)CC1 ZINC001268835236 814406437 /nfs/dbraw/zinc/40/64/37/814406437.db2.gz HXRXVASHYNIKQP-UHFFFAOYSA-N 2 0 340.468 -0.375 20 0 EBADRP C[C@@H]([NH2+]CCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)NC(N)=O ZINC001268848145 814412588 /nfs/dbraw/zinc/41/25/88/814412588.db2.gz RSBJEFADTLZCBA-NWDGAFQWSA-N 2 0 327.429 -0.650 20 0 EBADRP CN(CCC[NH2+]CCN(C)S(C)(=O)=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268946619 814452988 /nfs/dbraw/zinc/45/29/88/814452988.db2.gz QNRIRQKXCFPWEH-CYBMUJFWSA-N 2 0 334.486 -0.732 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CCC[NH2+][C@H]1CCNC1=O ZINC001268949874 814455111 /nfs/dbraw/zinc/45/51/11/814455111.db2.gz DIAUVUCIUJLYRD-KBPBESRZSA-N 2 0 326.441 -0.719 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CC(=O)NC(N)=O ZINC001268961770 814459244 /nfs/dbraw/zinc/45/92/44/814459244.db2.gz HDVRYJYTIRKPIQ-GFCCVEGCSA-N 2 0 327.429 -0.506 20 0 EBADRP CS(=O)(=O)NCC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001269134408 814547480 /nfs/dbraw/zinc/54/74/80/814547480.db2.gz AUNGYUJWVZCVEH-ZDUSSCGKSA-N 2 0 344.481 -0.884 20 0 EBADRP C[C@@H](C(=O)N1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2)[NH+]1CCCC1 ZINC001269248901 814594756 /nfs/dbraw/zinc/59/47/56/814594756.db2.gz USAXACOELFGSBE-AWEZNQCLSA-N 2 0 338.452 -0.528 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001269422663 814684889 /nfs/dbraw/zinc/68/48/89/814684889.db2.gz JUJKZIMRKKILMM-OLZOCXBDSA-N 2 0 336.436 -0.096 20 0 EBADRP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCN1C(=O)CNC1=O ZINC001269426266 814687102 /nfs/dbraw/zinc/68/71/02/814687102.db2.gz WXAHIPWMTQAZLY-OLZOCXBDSA-N 2 0 339.440 -0.493 20 0 EBADRP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCN1C(=O)CNC1=O ZINC001269426268 814687399 /nfs/dbraw/zinc/68/73/99/814687399.db2.gz WXAHIPWMTQAZLY-STQMWFEESA-N 2 0 339.440 -0.493 20 0 EBADRP C[NH+](C)CCC(=O)NC1(C[NH2+]CCN2CCNC2=O)CCCC1 ZINC001269571840 814731506 /nfs/dbraw/zinc/73/15/06/814731506.db2.gz AEZULHZXVMYPRX-UHFFFAOYSA-N 2 0 325.457 -0.018 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CC[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001269798856 815609434 /nfs/dbraw/zinc/60/94/34/815609434.db2.gz PNEMXTLKCSPMQQ-CYBMUJFWSA-N 2 0 339.440 -0.505 20 0 EBADRP Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833381 815637863 /nfs/dbraw/zinc/63/78/63/815637863.db2.gz XTKSTIMIGGHBHG-SJORKVTESA-N 2 0 349.479 -0.144 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001270129414 815693790 /nfs/dbraw/zinc/69/37/90/815693790.db2.gz PTRMUZOMCSHKLJ-GFCCVEGCSA-N 2 0 325.413 -0.930 20 0 EBADRP O=C(N1CCC[C@H]1C[NH2+]CCN1CCNC1=O)C12CC[NH+](CC1)C2 ZINC001270166612 815705749 /nfs/dbraw/zinc/70/57/49/815705749.db2.gz YBMBCFLBHPEYCE-AWEZNQCLSA-N 2 0 335.452 -0.312 20 0 EBADRP Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083953909 815735668 /nfs/dbraw/zinc/73/56/68/815735668.db2.gz BPCLQKUTXBTEJQ-IMJJTQAJSA-N 2 0 335.452 -0.534 20 0 EBADRP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]CCNS(C)(=O)=O ZINC001270436937 815778675 /nfs/dbraw/zinc/77/86/75/815778675.db2.gz UBKXWWHTJZSCQH-STQMWFEESA-N 2 0 334.486 -0.638 20 0 EBADRP C[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001084351870 815900414 /nfs/dbraw/zinc/90/04/14/815900414.db2.gz CBRKQQIAWFYCKT-IIAWOOMASA-N 2 0 335.452 -0.028 20 0 EBADRP C[NH+](C)CCN1CC[C@]2(CCCN2C(=O)CN2CC[C@@H](O)C2)C1=O ZINC001271087834 815980792 /nfs/dbraw/zinc/98/07/92/815980792.db2.gz ZPWNYEKVXFPNEZ-RHSMWYFYSA-N 2 0 338.452 -0.792 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CCN1CCNC1=O ZINC001271661278 816177120 /nfs/dbraw/zinc/17/71/20/816177120.db2.gz XXYYXPXOJCFAFJ-KGLIPLIRSA-N 2 0 325.457 -0.353 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001086047206 816214203 /nfs/dbraw/zinc/21/42/03/816214203.db2.gz INMJXMFKTKPJAV-HZSPNIEDSA-N 2 0 336.436 -0.286 20 0 EBADRP Cn1nncc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001086091632 816226963 /nfs/dbraw/zinc/22/69/63/816226963.db2.gz HHCKDODCFSCNCN-KNCOVGOOSA-N 2 0 348.451 -0.337 20 0 EBADRP O=C(NC[C@@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001086253990 816279888 /nfs/dbraw/zinc/27/98/88/816279888.db2.gz DNPNNCDCPUWHCR-OKILXGFUSA-N 2 0 335.452 -0.408 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1)c1nnnn1C ZINC001086254200 816279995 /nfs/dbraw/zinc/27/99/95/816279995.db2.gz OGTKYHCUZUYOPE-RWMBFGLXSA-N 2 0 333.440 -0.149 20 0 EBADRP O=C(NC[C@@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001086262951 816282548 /nfs/dbraw/zinc/28/25/48/816282548.db2.gz UEDIZDHUGPKILM-DAYGRLMNSA-N 2 0 349.479 -0.018 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001086271910 816285698 /nfs/dbraw/zinc/28/56/98/816285698.db2.gz ODHIVJCZMDVTBB-KFWWJZLASA-N 2 0 338.452 -0.719 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001086402010 816321222 /nfs/dbraw/zinc/32/12/22/816321222.db2.gz DONHTCRDARQDPI-XDQVBPFNSA-N 2 0 336.436 -0.240 20 0 EBADRP O=C(NC[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)C12CCC[NH+]1CCC2 ZINC001086416718 816326408 /nfs/dbraw/zinc/32/64/08/816326408.db2.gz DGZQYVLODPFFNX-IHRRRGAJSA-N 2 0 348.447 -0.096 20 0 EBADRP COc1cncc(C[NH2+]CCN(CCO)C(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001272225020 816358765 /nfs/dbraw/zinc/35/87/65/816358765.db2.gz KXIUYQFUBMRVON-CQSZACIVSA-N 2 0 337.424 -0.510 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCO)C2)CC[N@@H+]1C ZINC001086979779 816432544 /nfs/dbraw/zinc/43/25/44/816432544.db2.gz RFGDITMCAROOPK-DMRZNYOFSA-N 2 0 335.452 -0.363 20 0 EBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cnn(C)c1)C(N)=O ZINC001087009378 816444629 /nfs/dbraw/zinc/44/46/29/816444629.db2.gz CKUPKSBUIVMORM-AEGPPILISA-N 2 0 348.451 -0.726 20 0 EBADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@H+](C[C@@H]3CCC(=O)N3)C2)C1=O ZINC001272524613 816457220 /nfs/dbraw/zinc/45/72/20/816457220.db2.gz KXDSZRARWDYODS-SUMWQHHRSA-N 2 0 336.436 -0.332 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CC[NH+](C)C[C@]2(CCCC(=O)N2)C1 ZINC001272556115 816472864 /nfs/dbraw/zinc/47/28/64/816472864.db2.gz VVRVWEHCZJXTDO-WMLDXEAASA-N 2 0 337.468 -0.955 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](CC[NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001272641832 816499821 /nfs/dbraw/zinc/49/98/21/816499821.db2.gz PCMKISBLVYOQIU-KGLIPLIRSA-N 2 0 346.497 -0.685 20 0 EBADRP C[NH+]1CCC(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@@H+](CC(N)=O)C2)CC1 ZINC001087386398 816516082 /nfs/dbraw/zinc/51/60/82/816516082.db2.gz MGMPKKQXSXFCBV-VGWMRTNUSA-N 2 0 334.464 -0.018 20 0 EBADRP C[C@@H](CC[NH2+]CCN(C)S(C)(=O)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001272993434 816565610 /nfs/dbraw/zinc/56/56/10/816565610.db2.gz IAWIJINRHZDGOH-ZDUSSCGKSA-N 2 0 348.513 -0.296 20 0 EBADRP COC(CN1C(=O)COCC12C[NH+](CC1CC[NH2+]CC1)C2)OC ZINC001273029020 816570317 /nfs/dbraw/zinc/57/03/17/816570317.db2.gz CUYCNVXEXLECSF-UHFFFAOYSA-N 2 0 327.425 -0.482 20 0 EBADRP CN(C)C(=O)CCN1C(=O)COCC12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001273029320 816570844 /nfs/dbraw/zinc/57/08/44/816570844.db2.gz ARRQUPPWQZLEGH-UHFFFAOYSA-N 2 0 338.452 -0.623 20 0 EBADRP CCCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001273359362 816653624 /nfs/dbraw/zinc/65/36/24/816653624.db2.gz WNWUNGPCHMGKRX-HNNXBMFYSA-N 2 0 340.468 -0.185 20 0 EBADRP CCS(=O)(=O)CC[N@@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273831275 816777697 /nfs/dbraw/zinc/77/76/97/816777697.db2.gz FRPWGBOHZPJJDL-OAHLLOKOSA-N 2 0 331.482 -0.093 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001274034455 816844550 /nfs/dbraw/zinc/84/45/50/816844550.db2.gz FJJYUYDAWVXQSL-QUFGHOJKSA-N 2 0 339.440 -0.567 20 0 EBADRP C[C@@H](O)C[N@@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001274046906 816845998 /nfs/dbraw/zinc/84/59/98/816845998.db2.gz JNBPQUPTMAGCOF-AEFFLSMTSA-N 2 0 338.496 -0.071 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C\C[NH2+]CC(=O)NC(N)=O ZINC001274104264 816869917 /nfs/dbraw/zinc/86/99/17/816869917.db2.gz AZULXDGHBHCCAJ-ZZKXABKFSA-N 2 0 325.413 -0.682 20 0 EBADRP CCOC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274564420 817009465 /nfs/dbraw/zinc/00/94/65/817009465.db2.gz FITSYXLRZVRKTI-GOEBONIOSA-N 2 0 329.441 -0.751 20 0 EBADRP C[C@H](C[NH2+]CCCS(=O)(=O)N(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001274700611 817071235 /nfs/dbraw/zinc/07/12/35/817071235.db2.gz DDGPNEXYVCSYEW-CHWSQXEVSA-N 2 0 334.486 -0.544 20 0 EBADRP C[C@H](C[NH2+]CCCS(C)(=O)=O)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001274760870 817084552 /nfs/dbraw/zinc/08/45/52/817084552.db2.gz UYGVDAJQFUAWLR-OCCSQVGLSA-N 2 0 331.482 -0.143 20 0 EBADRP C[NH+](C)CCNC(=S)N1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274880907 817103502 /nfs/dbraw/zinc/10/35/02/817103502.db2.gz ZEJCKMKHIDTSGX-INIZCTEOSA-N 2 0 341.525 -0.092 20 0 EBADRP C[NH+]1CCC(C(=O)NC2CC(C[NH2+]CCN3CCNC3=O)C2)CC1 ZINC001275279384 817187413 /nfs/dbraw/zinc/18/74/13/817187413.db2.gz TZGYAWHZMUIYJA-UHFFFAOYSA-N 2 0 337.468 -0.162 20 0 EBADRP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CCN1CCCS1(=O)=O)[NH+](C)C ZINC001275417507 817212476 /nfs/dbraw/zinc/21/24/76/817212476.db2.gz KPIVULJKRSCBEJ-UONOGXRCSA-N 2 0 348.513 -0.298 20 0 EBADRP C[C@@H](C[N@H+](C)CCN1C(=O)CCC1=O)NC(=O)CCc1c[nH]cn1 ZINC001275573637 817252596 /nfs/dbraw/zinc/25/25/96/817252596.db2.gz FTNDYYUXZCQVFO-LBPRGKRZSA-N 2 0 335.408 -0.072 20 0 EBADRP O=C(N[C@H]1CC[N@@H+](CCCO)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001090356028 817298284 /nfs/dbraw/zinc/29/82/84/817298284.db2.gz TWVPFEMABKYNGS-LSDHHAIUSA-N 2 0 325.453 -0.204 20 0 EBADRP CN(C)S(=O)(=O)N1CCO[C@H]2C[N@H+](CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001276696644 817453857 /nfs/dbraw/zinc/45/38/57/817453857.db2.gz UGPRVMPFWHUUQL-GJZGRUSLSA-N 2 0 346.497 -0.480 20 0 EBADRP Cn1ncnc1C(=O)N1CCO[C@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]21 ZINC001276709226 817457102 /nfs/dbraw/zinc/45/71/02/817457102.db2.gz HZBWHMQTXDGUFT-KGLIPLIRSA-N 2 0 334.424 -0.660 20 0 EBADRP O=C(Cn1cccnc1=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2CC1CC[NH2+]CC1 ZINC001276709200 817457192 /nfs/dbraw/zinc/45/71/92/817457192.db2.gz GZXHJIUQFYZYTO-HOTGVXAUSA-N 2 0 345.447 -0.082 20 0 EBADRP O=C(c1ccc(=O)[nH]n1)N1CCO[C@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC001276709364 817457922 /nfs/dbraw/zinc/45/79/22/817457922.db2.gz JKUKCFDNDLHPMA-GJZGRUSLSA-N 2 0 347.419 -0.293 20 0 EBADRP C[C@H](CCC[NH2+]CC(=O)N(C)C1CC1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001277157058 817523922 /nfs/dbraw/zinc/52/39/22/817523922.db2.gz UGQHFMJNBBWWOK-HIFRSBDPSA-N 2 0 340.468 -0.188 20 0 EBADRP C[N@H+](CCOCCNC(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCCNC1=O ZINC001277476018 817574650 /nfs/dbraw/zinc/57/46/50/817574650.db2.gz KNINIZZMBGSRBR-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP CN1CCO[C@H](C(=O)NCCOCC[N@H+](C)C[C@H]2CCOC2)C1 ZINC001277481142 817575734 /nfs/dbraw/zinc/57/57/34/817575734.db2.gz MSKBMLQBVUJBQV-CABCVRRESA-N 2 0 329.441 -0.582 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C[C@H]1C ZINC001277778014 817635039 /nfs/dbraw/zinc/63/50/39/817635039.db2.gz YUAXAMOZLLPCOQ-ZIAGYGMSSA-N 2 0 348.513 -0.154 20 0 EBADRP C[NH+](C)CCN1CCn2c(nnc2C(=O)NC2CC[NH+](C)CC2)C1 ZINC001278040525 817683185 /nfs/dbraw/zinc/68/31/85/817683185.db2.gz YCPWYWOOGARMRS-UHFFFAOYSA-N 2 0 335.456 -0.521 20 0 EBADRP C[C@H]1[C@H]([NH2+]CCCS(=O)(=O)N(C)C)CCN1C(=O)CC[NH+](C)C ZINC001278293867 817737220 /nfs/dbraw/zinc/73/72/20/817737220.db2.gz PQOACTJWZKOYBN-UONOGXRCSA-N 2 0 348.513 -0.201 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1C ZINC001278307826 817739699 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C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001093822685 818108561 /nfs/dbraw/zinc/10/85/61/818108561.db2.gz VXHOXXFHUBORPY-KYOSRNDESA-N 2 0 335.456 -0.266 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1)[NH+](C)C ZINC001094049094 818150442 /nfs/dbraw/zinc/15/04/42/818150442.db2.gz GDBPCXHMGOTGEB-UPJWGTAASA-N 2 0 338.456 -0.367 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCc1cn(C2C[NH+](C[C@H]3CCOC3)C2)nn1 ZINC001094279079 818200466 /nfs/dbraw/zinc/20/04/66/818200466.db2.gz WRMZZEBDYLHRHI-CZUORRHYSA-N 2 0 348.451 -0.118 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC2CC(C[NH2+]CCN3CCNC3=O)C2)C1 ZINC001282067714 818354166 /nfs/dbraw/zinc/35/41/66/818354166.db2.gz YRVQKWUOUKPYMN-WLYUNCDWSA-N 2 0 337.468 -0.162 20 0 EBADRP O=C(N[C@H]1CC(=O)N(C2C[NH+](CC3CC3)C2)C1)C12CC[NH+](CC1)C2 ZINC001094806073 818494956 /nfs/dbraw/zinc/49/49/56/818494956.db2.gz HEDZREMTQKYZBQ-AWEZNQCLSA-N 2 0 332.448 -0.107 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 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C[C@@H]([NH2+]C1CC(CNC(=O)C2CC[NH+](C)CC2)C1)C(=O)NC(N)=O ZINC001100634949 820496280 /nfs/dbraw/zinc/49/62/80/820496280.db2.gz UCJPGGBYUOXSRU-XSRFYTQQSA-N 2 0 339.440 -0.604 20 0 EBADRP C[NH+]1CCC(C(=O)NCC2CC([NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001100635047 820496708 /nfs/dbraw/zinc/49/67/08/820496708.db2.gz YDXBPIVUQRTUOL-UHFFFAOYSA-N 2 0 325.413 -0.993 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100638350 820497267 /nfs/dbraw/zinc/49/72/67/820497267.db2.gz HQOZGPUMPAJTMH-UNXYVOJBSA-N 2 0 327.429 -0.733 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100638539 820497656 /nfs/dbraw/zinc/49/76/56/820497656.db2.gz QSXDUOWXAGKDHW-UHFFFAOYSA-N 2 0 348.513 -0.296 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001292413538 820538681 /nfs/dbraw/zinc/53/86/81/820538681.db2.gz FTZRPJZPHHDMGD-UHFFFAOYSA-N 2 0 340.468 -0.280 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001100829590 820564236 /nfs/dbraw/zinc/56/42/36/820564236.db2.gz BSLWLXGGEOCGIR-UHFFFAOYSA-N 2 0 348.513 -0.296 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC1CC([NH2+]CCNC(=O)C2CC2)C1 ZINC001100870219 820584229 /nfs/dbraw/zinc/58/42/29/820584229.db2.gz CDIRWWIJHGDSGI-UHFFFAOYSA-N 2 0 340.468 -0.425 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101172032 820709214 /nfs/dbraw/zinc/70/92/14/820709214.db2.gz SXLRQBNRBBBFOX-HSMVNMDESA-N 2 0 337.424 -0.944 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101352711 820764677 /nfs/dbraw/zinc/76/46/77/820764677.db2.gz KLTBXYCFVLCQBC-OZVIIMIRSA-N 2 0 339.440 -0.698 20 0 EBADRP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431506 820788808 /nfs/dbraw/zinc/78/88/08/820788808.db2.gz QUWFGFPYGUKHQS-PBHICJAKSA-N 2 0 334.464 -0.001 20 0 EBADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432320 820790366 /nfs/dbraw/zinc/79/03/66/820790366.db2.gz LPEUYWAHLOVSGJ-KEYYUXOJSA-N 2 0 340.468 -0.391 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101443970 820790919 /nfs/dbraw/zinc/79/09/19/820790919.db2.gz RRCAVTRMELINMS-WBMJQRKESA-N 2 0 339.440 -0.697 20 0 EBADRP CC(C)[C@H](C(=O)N1CC[C@@H](NC(=O)COCC[NH+](C)C)C1)[NH+](C)C ZINC001293601909 820795214 /nfs/dbraw/zinc/79/52/14/820795214.db2.gz WKLZBYZDRKPELH-GDBMZVCRSA-N 2 0 342.484 -0.132 20 0 EBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001102047648 821010196 /nfs/dbraw/zinc/01/01/96/821010196.db2.gz OKLMTLWGHHETKJ-MPKXVKKWSA-N 2 0 339.440 -0.794 20 0 EBADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102290661 821058787 /nfs/dbraw/zinc/05/87/87/821058787.db2.gz PGGJTYWQOAFIED-CHWSQXEVSA-N 2 0 338.456 -0.366 20 0 EBADRP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320595 821069813 /nfs/dbraw/zinc/06/98/13/821069813.db2.gz KDKURYPLIRURAD-CHWSQXEVSA-N 2 0 334.486 -0.829 20 0 EBADRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(=O)NC)C[C@H]1C)[NH+](C)C ZINC001102378066 821084781 /nfs/dbraw/zinc/08/47/81/821084781.db2.gz MMKLEBTXQDWBAR-UPJWGTAASA-N 2 0 341.456 -0.534 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](Cc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001102496028 821127364 /nfs/dbraw/zinc/12/73/64/821127364.db2.gz ZPTQVLVRXRCKMK-CHWSQXEVSA-N 2 0 338.456 -0.366 20 0 EBADRP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513710 821135005 /nfs/dbraw/zinc/13/50/05/821135005.db2.gz YHRFRTKWLPQRRI-MCIONIFRSA-N 2 0 326.441 -0.863 20 0 EBADRP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579765 821160821 /nfs/dbraw/zinc/16/08/21/821160821.db2.gz OLNRWMMXQAARHN-MCIONIFRSA-N 2 0 336.436 -0.429 20 0 EBADRP CC[C@@H](C(=O)NCC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C)[NH+](C)C ZINC001103444064 821311735 /nfs/dbraw/zinc/31/17/35/821311735.db2.gz YYIGFGMLAHTEGM-UPJWGTAASA-N 2 0 341.456 -0.404 20 0 EBADRP C[NH+](C)CCC(=O)NCc1cccc(N2CC[C@@H]([NH2+]CC(N)=O)C2)n1 ZINC001127852124 828338761 /nfs/dbraw/zinc/33/87/61/828338761.db2.gz KKXUARYVGVHIAE-CQSZACIVSA-N 2 0 348.451 -0.697 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001105008282 821569990 /nfs/dbraw/zinc/56/99/90/821569990.db2.gz WSMXJOLAMAXURQ-MGPQQGTHSA-N 2 0 335.456 -0.264 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001105008281 821570162 /nfs/dbraw/zinc/57/01/62/821570162.db2.gz WSMXJOLAMAXURQ-MCIONIFRSA-N 2 0 335.456 -0.264 20 0 EBADRP C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)C34CCC[NH+]3CCC4)C2)nn1 ZINC001105276803 821664089 /nfs/dbraw/zinc/66/40/89/821664089.db2.gz SFYIDTNJWOFOFR-ZDUSSCGKSA-N 2 0 348.451 -0.240 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105326923 821694071 /nfs/dbraw/zinc/69/40/71/821694071.db2.gz LUULKIVJOSUDQC-SWLSCSKDSA-N 2 0 336.440 -0.669 20 0 EBADRP C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC001105326872 821694805 /nfs/dbraw/zinc/69/48/05/821694805.db2.gz KFSXENKJNCQBGQ-QWHCGFSZSA-N 2 0 336.440 -0.384 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105327267 821695487 /nfs/dbraw/zinc/69/54/87/821695487.db2.gz YWPOQCOGTCRRAJ-ZDUSSCGKSA-N 2 0 336.440 -0.382 20 0 EBADRP COCCC[NH2+]Cc1cn(C2CN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001105372360 821726694 /nfs/dbraw/zinc/72/66/94/821726694.db2.gz BJHROFIBHWNXQZ-UHFFFAOYSA-N 2 0 336.440 -0.117 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCOC2(CCC([NH2+]CCO)CC2)C1 ZINC001105485431 821761164 /nfs/dbraw/zinc/76/11/64/821761164.db2.gz HRYCXXTVZYCGFM-UHFFFAOYSA-N 2 0 343.468 -0.313 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001316840025 821881349 /nfs/dbraw/zinc/88/13/49/821881349.db2.gz MGFFRDXXQOQIKD-LBPRGKRZSA-N 2 0 341.456 -0.118 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[N@H+](C)[C@H]1CCN(C)C1=O ZINC001316866056 821898636 /nfs/dbraw/zinc/89/86/36/821898636.db2.gz VOTXOCAXVAXIEU-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP CC[N@H+](CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC(=O)NC(N)=O ZINC001316911325 821915394 /nfs/dbraw/zinc/91/53/94/821915394.db2.gz PGTBYGMOVCJKRA-STQMWFEESA-N 2 0 341.456 -0.118 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCN1C(=O)CNC1=O)C1CC1 ZINC001317011252 821973215 /nfs/dbraw/zinc/97/32/15/821973215.db2.gz OHFYHTOJCVHNQO-STQMWFEESA-N 2 0 337.424 -0.883 20 0 EBADRP C[N@H+](CC(=O)NC[C@@H]([NH2+][C@@H]1CCC(=O)NC1=O)C1CC1)C1CCC1 ZINC001317016292 821973857 /nfs/dbraw/zinc/97/38/57/821973857.db2.gz LIZZSRPXWIXMSM-ZIAGYGMSSA-N 2 0 336.436 -0.240 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001317056043 821987016 /nfs/dbraw/zinc/98/70/16/821987016.db2.gz PLSBSQDFRTYGEQ-LSDHHAIUSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001317063052 821990597 /nfs/dbraw/zinc/99/05/97/821990597.db2.gz YDOVLZIKUHBKNV-KGLIPLIRSA-N 2 0 331.482 -0.047 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001317119973 822008606 /nfs/dbraw/zinc/00/86/06/822008606.db2.gz MVSPATFLAOXWTM-MELADBBJSA-N 2 0 346.497 -0.496 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]CCNS(C)(=O)=O ZINC001317199806 822034340 /nfs/dbraw/zinc/03/43/40/822034340.db2.gz NMFNTDSMDTUDAE-CQSZACIVSA-N 2 0 348.513 -0.154 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCS(=O)(=O)N(C)C ZINC001317289312 822065946 /nfs/dbraw/zinc/06/59/46/822065946.db2.gz MELIRLUUMIZISQ-STQMWFEESA-N 2 0 334.486 -0.686 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]CCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001317321023 822082448 /nfs/dbraw/zinc/08/24/48/822082448.db2.gz DRVVJHOTAUQRMW-MGPQQGTHSA-N 2 0 331.482 -0.191 20 0 EBADRP CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)c1ccccc1CC[NH+](C)C ZINC001317615519 822179462 /nfs/dbraw/zinc/17/94/62/822179462.db2.gz YLJWGILEBOTPCB-UHFFFAOYSA-N 2 0 349.435 -0.353 20 0 EBADRP CN(CC[NH2+]CC(=O)NC1CCOCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001317621926 822182839 /nfs/dbraw/zinc/18/28/39/822182839.db2.gz BADBCVDPQQUSBM-UHFFFAOYSA-N 2 0 340.468 -0.329 20 0 EBADRP CN(CC[NH2+]C[C@H](O)CN1CCCC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001317656203 822194525 /nfs/dbraw/zinc/19/45/25/822194525.db2.gz YERVLAIOSWZWSB-AWEZNQCLSA-N 2 0 338.452 -0.887 20 0 EBADRP CN(CC[NH2+]CC(=O)NC[C@@H]1CCOC1)C(=O)C[NH+]1CCCC1 ZINC001317660222 822195014 /nfs/dbraw/zinc/19/50/14/822195014.db2.gz AZIGNWUDJCUQME-AWEZNQCLSA-N 2 0 326.441 -0.717 20 0 EBADRP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CC(=O)NC(N)=O)[NH+]1CCCCC1 ZINC001317664050 822197039 /nfs/dbraw/zinc/19/70/39/822197039.db2.gz IEGNHSARWJAHRU-AWEZNQCLSA-N 2 0 341.456 -0.260 20 0 EBADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106254986 822238151 /nfs/dbraw/zinc/23/81/51/822238151.db2.gz DTQXSDBKFKZTCY-VXGBXAGGSA-N 2 0 339.440 -0.650 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106340111 822251926 /nfs/dbraw/zinc/25/19/26/822251926.db2.gz LZQIDOBYSAZVTG-VXGBXAGGSA-N 2 0 341.456 -0.404 20 0 EBADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106591836 822293017 /nfs/dbraw/zinc/29/30/17/822293017.db2.gz LTTBURZJXPYZAK-VXGBXAGGSA-N 2 0 339.440 -0.793 20 0 EBADRP COCCOC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106626341 822302694 /nfs/dbraw/zinc/30/26/94/822302694.db2.gz CLNXWMCVRSNHCX-BZUAXINKSA-N 2 0 345.484 -0.354 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106626342 822303136 /nfs/dbraw/zinc/30/31/36/822303136.db2.gz CLNXWMCVRSNHCX-OAGGEKHMSA-N 2 0 345.484 -0.354 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001106627248 822303239 /nfs/dbraw/zinc/30/32/39/822303239.db2.gz YWTXMHLHOOJHNY-CHWSQXEVSA-N 2 0 339.440 -0.826 20 0 EBADRP Cc1nnc(C[NH2+]C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)[nH]1 ZINC001106881051 822347236 /nfs/dbraw/zinc/34/72/36/822347236.db2.gz SWNHYCPVKYGWHJ-TZMCWYRMSA-N 2 0 338.456 -0.125 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001128533200 828471050 /nfs/dbraw/zinc/47/10/50/828471050.db2.gz IZBCCDQGLLGCMO-ZDUSSCGKSA-N 2 0 332.420 -0.769 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001128532912 828471178 /nfs/dbraw/zinc/47/11/78/828471178.db2.gz AVBHCUWGTKNSHK-NSHDSACASA-N 2 0 333.408 -0.782 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001128787252 828526715 /nfs/dbraw/zinc/52/67/15/828526715.db2.gz XWGKVDYLEVNIDE-CABCVRRESA-N 2 0 340.468 -0.281 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001128783084 828526829 /nfs/dbraw/zinc/52/68/29/828526829.db2.gz FDRPGXLWMVDNBG-ZDUSSCGKSA-N 2 0 339.440 -0.492 20 0 EBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001129327819 828598088 /nfs/dbraw/zinc/59/80/88/828598088.db2.gz JQNIOKLYKBFSHT-CYBMUJFWSA-N 2 0 334.486 -0.781 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129341467 828601689 /nfs/dbraw/zinc/60/16/89/828601689.db2.gz VNRASRLDGADVTN-HNNXBMFYSA-N 2 0 342.484 -0.177 20 0 EBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129363561 828604312 /nfs/dbraw/zinc/60/43/12/828604312.db2.gz JTRKGXAMWNLFJD-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129362756 828605051 /nfs/dbraw/zinc/60/50/51/828605051.db2.gz CTTPUNDMXYMQPD-AWEZNQCLSA-N 2 0 326.441 -0.576 20 0 EBADRP CCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129363906 828606415 /nfs/dbraw/zinc/60/64/15/828606415.db2.gz MFJXSLDOISOFTD-OAHLLOKOSA-N 2 0 340.468 -0.138 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001129423083 828616176 /nfs/dbraw/zinc/61/61/76/828616176.db2.gz PNMOJYVFDNLDIO-AWEZNQCLSA-N 2 0 348.513 -0.154 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129435137 828618382 /nfs/dbraw/zinc/61/83/82/828618382.db2.gz BTVLOJUJVVWLLY-ZDUSSCGKSA-N 2 0 327.429 -0.732 20 0 EBADRP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433581 828618413 /nfs/dbraw/zinc/61/84/13/828618413.db2.gz HPMDCLOFZJVSAL-KFWWJZLASA-N 2 0 336.440 -0.392 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]CC(=O)NCc1cccnc1)C1CC1 ZINC001129437358 828619894 /nfs/dbraw/zinc/61/98/94/828619894.db2.gz ZLGLYWYXGUTUQG-INIZCTEOSA-N 2 0 333.436 -0.256 20 0 EBADRP Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)[C@H](C3CC3)[NH+](C)C)C2=O)cn1 ZINC001129444605 828620176 /nfs/dbraw/zinc/62/01/76/828620176.db2.gz WHVNQOHFANFXSS-CABCVRRESA-N 2 0 348.451 -0.429 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 ZINC001129444847 828620184 /nfs/dbraw/zinc/62/01/84/828620184.db2.gz ZBHFSYMACYYTCF-JSGCOSHPSA-N 2 0 346.497 -0.686 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]CC1(CS(C)(=O)=O)CC1)C1CC1 ZINC001129437356 828620658 /nfs/dbraw/zinc/62/06/58/828620658.db2.gz ZHDVGRIFIHCIFW-ZDUSSCGKSA-N 2 0 331.482 -0.143 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CC3CC3)C2)C1 ZINC001108588070 824399683 /nfs/dbraw/zinc/39/96/83/824399683.db2.gz ZURULZSLARJQAF-AWEZNQCLSA-N 2 0 338.452 -0.624 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001108799992 824439126 /nfs/dbraw/zinc/43/91/26/824439126.db2.gz WSYXIPOKPVUIMX-XQQFMLRXSA-N 2 0 349.435 -0.754 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001129841958 828680141 /nfs/dbraw/zinc/68/01/41/828680141.db2.gz RLKQKRQJOXRAJG-CABCVRRESA-N 2 0 340.468 -0.450 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001129840755 828680344 /nfs/dbraw/zinc/68/03/44/828680344.db2.gz IYXRLQFXLKJTEX-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP COCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129892196 828689220 /nfs/dbraw/zinc/68/92/20/828689220.db2.gz LULZINKXDPIVLN-QLFBSQMISA-N 2 0 336.440 -0.394 20 0 EBADRP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129910334 828692425 /nfs/dbraw/zinc/69/24/25/828692425.db2.gz OOTOEVAJUUNINP-KFWWJZLASA-N 2 0 336.440 -0.250 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CNC1=O ZINC001110981980 824826934 /nfs/dbraw/zinc/82/69/34/824826934.db2.gz ARCSBXMIWQCFSF-UPJWGTAASA-N 2 0 337.424 -0.789 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947141 828698915 /nfs/dbraw/zinc/69/89/15/828698915.db2.gz LKLASUJYWHCEFV-RYUDHWBXSA-N 2 0 329.445 -0.487 20 0 EBADRP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277219 825043810 /nfs/dbraw/zinc/04/38/10/825043810.db2.gz HHESAFWMTIRIFO-OAGGEKHMSA-N 2 0 343.468 -0.051 20 0 EBADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130095084 828731366 /nfs/dbraw/zinc/73/13/66/828731366.db2.gz ZRVWXVCEFBNCTG-ZNMIVQPWSA-N 2 0 338.456 -0.268 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+][C@H](C)COC)[C@@H](n2ccnn2)C1 ZINC001130107216 828733114 /nfs/dbraw/zinc/73/31/14/828733114.db2.gz JQOLPWMAZBEVLG-KFWWJZLASA-N 2 0 338.456 -0.004 20 0 EBADRP O=C(C[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2)Nc1cnccn1 ZINC001130170085 828745132 /nfs/dbraw/zinc/74/51/32/828745132.db2.gz PFCAIZQXIRAIGL-UHFFFAOYSA-N 2 0 346.435 -0.003 20 0 EBADRP CN(CC[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)S(C)(=O)=O ZINC001130187461 828750995 /nfs/dbraw/zinc/75/09/95/828750995.db2.gz VRCQDTSPJKSJLN-KBPBESRZSA-N 2 0 346.497 -0.400 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)NCCCOC(C)C)[NH+](C)C ZINC001130200609 828753827 /nfs/dbraw/zinc/75/38/27/828753827.db2.gz LKIXIYKOSKOLGS-CQSZACIVSA-N 2 0 330.473 -0.036 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1)C(=O)N(C)C ZINC001130231714 828761652 /nfs/dbraw/zinc/76/16/52/828761652.db2.gz DIROWPCFIRUWQB-ZDUSSCGKSA-N 2 0 328.457 -0.473 20 0 EBADRP COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112160112 825394647 /nfs/dbraw/zinc/39/46/47/825394647.db2.gz SNHHNDJEGSOUDF-IJLUTSLNSA-N 2 0 341.374 -0.076 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001130296912 828777206 /nfs/dbraw/zinc/77/72/06/828777206.db2.gz FBEZGXIEFUYZQN-KBPBESRZSA-N 2 0 326.441 -0.528 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001130421898 828828298 /nfs/dbraw/zinc/82/82/98/828828298.db2.gz NRRBKNFISQRNAC-LSDHHAIUSA-N 2 0 345.484 -0.021 20 0 EBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC001179692568 833001016 /nfs/dbraw/zinc/00/10/16/833001016.db2.gz SWXWKMWWTPRXKR-JSGCOSHPSA-N 2 0 336.440 -0.617 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCNS(=O)(=O)CC)[C@@H]1C ZINC001179860937 833018681 /nfs/dbraw/zinc/01/86/81/833018681.db2.gz CHIFEPOCCNBLHP-KBPBESRZSA-N 2 0 348.513 -0.154 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001114425900 826244005 /nfs/dbraw/zinc/24/40/05/826244005.db2.gz IHAMCTVSLYBHQG-LJIGWXMPSA-N 2 0 349.479 -0.068 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)NC2CC2)CCN1C(=O)COCC[NH+](C)C ZINC001179933826 833028326 /nfs/dbraw/zinc/02/83/26/833028326.db2.gz LNPBDOHXLSSXGZ-JSGCOSHPSA-N 2 0 326.441 -0.578 20 0 EBADRP CN(CCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)c1cc[nH+]cc1 ZINC001114496865 826266251 /nfs/dbraw/zinc/26/62/51/826266251.db2.gz UNVMUBDKJILHCV-QSJFSLAZSA-N 2 0 343.431 -0.157 20 0 EBADRP COCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001114589445 826293329 /nfs/dbraw/zinc/29/33/29/826293329.db2.gz HWUZXIRMBXOUER-GTHOZQOVSA-N 2 0 335.448 -0.068 20 0 EBADRP CC(=O)NCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750392 826331981 /nfs/dbraw/zinc/33/19/81/826331981.db2.gz HDDNVSNEKRWCGK-QLPKVWCKSA-N 2 0 340.468 -0.473 20 0 EBADRP COCCOC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778158 826340596 /nfs/dbraw/zinc/34/05/96/826340596.db2.gz FWKYFRZOOVNJOH-TTZDDIAXSA-N 2 0 329.441 -0.992 20 0 EBADRP CCCC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126027 826428358 /nfs/dbraw/zinc/42/83/58/826428358.db2.gz HCPVYYRSYVSXHL-KNCOVGOOSA-N 2 0 340.468 -0.345 20 0 EBADRP NC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CCCCC1 ZINC001115546197 826556363 /nfs/dbraw/zinc/55/63/63/826556363.db2.gz GYNDJHOSIICDNX-UONOGXRCSA-N 2 0 338.452 -0.256 20 0 EBADRP COC(=O)[C@@H]1CN(C)CCN1C(=O)CN1CC[NH+](C(C)C)CC1 ZINC001180346979 833075315 /nfs/dbraw/zinc/07/53/15/833075315.db2.gz QBSNYCMZVGSZAK-AWEZNQCLSA-N 2 0 326.441 -0.672 20 0 EBADRP C[N@@H+]1CCCN(CCNC(=O)CC[NH+]2CCC(C(N)=O)CC2)CC1 ZINC001180613881 833097332 /nfs/dbraw/zinc/09/73/32/833097332.db2.gz VWENVYJEIIXVPN-UHFFFAOYSA-N 2 0 339.484 -0.673 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@]1(C)C[NH2+]Cc1nnnn1C ZINC001180900076 833121519 /nfs/dbraw/zinc/12/15/19/833121519.db2.gz USYUVOQLHZZZPY-DVOMOZLQSA-N 2 0 335.456 -0.122 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[C@@H]1[NH3+] ZINC001118491463 826941753 /nfs/dbraw/zinc/94/17/53/826941753.db2.gz WFCRUSIYWFNEAO-YUELXQCFSA-N 2 0 338.452 -0.448 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC001118511512 826946101 /nfs/dbraw/zinc/94/61/01/826946101.db2.gz XGDODRLKZJNKLU-UHFFFAOYSA-N 2 0 339.484 -0.720 20 0 EBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NCCCCN1CC[NH+](C)CC1 ZINC001118997232 827039805 /nfs/dbraw/zinc/03/98/05/827039805.db2.gz XUEUMDMNWZBWQW-UHFFFAOYSA-N 2 0 347.529 -0.468 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119427453 827108424 /nfs/dbraw/zinc/10/84/24/827108424.db2.gz PZOVESSFANAION-MGPQQGTHSA-N 2 0 326.441 -0.591 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC001119527404 827116544 /nfs/dbraw/zinc/11/65/44/827116544.db2.gz PSDKIAVJPALEKM-KRWDZBQOSA-N 2 0 326.485 -0.023 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC12CC[NH+](C)CC2 ZINC001119692603 827133806 /nfs/dbraw/zinc/13/38/06/827133806.db2.gz LACSMPBKCFAKME-CQSZACIVSA-N 2 0 337.468 -0.955 20 0 EBADRP CC[NH2+]CC1CCN(C(=O)C(=O)NC[C@@H](C[NH+](C)C)OCC)CC1 ZINC001120442719 827223031 /nfs/dbraw/zinc/22/30/31/827223031.db2.gz GAZBFVYEKFTQHU-HNNXBMFYSA-N 2 0 342.484 -0.083 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC[S@@](=O)CC(F)(F)F)CC1 ZINC001120521554 827239746 /nfs/dbraw/zinc/23/97/46/827239746.db2.gz NXBWYMODNUNGDU-WSVYEEACSA-N 2 0 331.404 -0.505 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC[S@@](=O)CC(F)(F)F)CC1 ZINC001120521553 827239754 /nfs/dbraw/zinc/23/97/54/827239754.db2.gz NXBWYMODNUNGDU-WIUDPPPLSA-N 2 0 331.404 -0.505 20 0 EBADRP CN(C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C1(C[NH3+])CCOCC1 ZINC001120527746 827240606 /nfs/dbraw/zinc/24/06/06/827240606.db2.gz GUVRRSOUXNADSJ-BETUJISGSA-N 2 0 326.441 -0.591 20 0 EBADRP C[NH+]1CCN(CC[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001120566630 827246204 /nfs/dbraw/zinc/24/62/04/827246204.db2.gz ALOYQTHWRRHLOP-MRXNPFEDSA-N 2 0 341.477 -0.040 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001181652685 833170447 /nfs/dbraw/zinc/17/04/47/833170447.db2.gz OOHCTIYYEFHMBD-OLZOCXBDSA-N 2 0 339.440 -0.493 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001181653342 833170479 /nfs/dbraw/zinc/17/04/79/833170479.db2.gz YHOAWNPOQWFIIH-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001181652895 833170636 /nfs/dbraw/zinc/17/06/36/833170636.db2.gz RKDCPSMVTQGBMY-CHWSQXEVSA-N 2 0 337.424 -0.741 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001181652776 833170820 /nfs/dbraw/zinc/17/08/20/833170820.db2.gz PLSBSQDFRTYGEQ-HUUCEWRRSA-N 2 0 326.441 -0.576 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(=O)NC(N)=O)C2 ZINC001120834974 827264592 /nfs/dbraw/zinc/26/45/92/827264592.db2.gz RUQCATVNMGSKEZ-FUQGYSAHSA-N 2 0 337.424 -0.708 20 0 EBADRP C[NH+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CC(=O)NC(N)=O)C2 ZINC001121703485 827429237 /nfs/dbraw/zinc/42/92/37/827429237.db2.gz USNYTXIJRLCCPK-UHFFFAOYSA-N 2 0 325.413 -0.850 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1(C[NH3+])CC(O)C1 ZINC001121916738 827481145 /nfs/dbraw/zinc/48/11/45/827481145.db2.gz JAKIPFSAOVSSKG-UYJPIKCFSA-N 2 0 326.441 -0.855 20 0 EBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1=O ZINC001121925592 827482793 /nfs/dbraw/zinc/48/27/93/827482793.db2.gz CAEXNNHLHHALSL-LSDHHAIUSA-N 2 0 338.452 -0.636 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001122126668 827524503 /nfs/dbraw/zinc/52/45/03/827524503.db2.gz PFLYMEHGTLMVCA-AWEZNQCLSA-N 2 0 326.441 -0.589 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001182925935 833269060 /nfs/dbraw/zinc/26/90/60/833269060.db2.gz ZJERXTXHXIBEII-MLGOLLRUSA-N 2 0 341.456 -0.403 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124866924 827969214 /nfs/dbraw/zinc/96/92/14/827969214.db2.gz NXBIYPLRJRPCDL-NWDGAFQWSA-N 2 0 327.429 -0.591 20 0 EBADRP CC(C)CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124866397 827969755 /nfs/dbraw/zinc/96/97/55/827969755.db2.gz BOEZCMTVBFRGRM-HNNXBMFYSA-N 2 0 342.484 -0.035 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001124867039 827969903 /nfs/dbraw/zinc/96/99/03/827969903.db2.gz QPLZJTRMPFPWLD-HIFRSBDPSA-N 2 0 329.441 -0.657 20 0 EBADRP Cc1nn(C)c(C)c1NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124866456 827969951 /nfs/dbraw/zinc/96/99/51/827969951.db2.gz CWKPBZZUVQWQSH-CYBMUJFWSA-N 2 0 336.440 -0.225 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCOC[C@H]1C1CC1 ZINC001124878848 827973058 /nfs/dbraw/zinc/97/30/58/827973058.db2.gz PVSJZGXGYBOIMZ-CABCVRRESA-N 2 0 338.452 -0.576 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCOC[C@H]1C1CC1 ZINC001124878849 827973259 /nfs/dbraw/zinc/97/32/59/827973259.db2.gz PVSJZGXGYBOIMZ-GJZGRUSLSA-N 2 0 338.452 -0.576 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001183229579 833284167 /nfs/dbraw/zinc/28/41/67/833284167.db2.gz NIVWYIUHBHJSSM-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2cnccn2)C1)C1CC1 ZINC001183267248 833285114 /nfs/dbraw/zinc/28/51/14/833285114.db2.gz KNVCSXLPNOCUIM-CZUORRHYSA-N 2 0 346.435 -0.054 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001183267817 833285299 /nfs/dbraw/zinc/28/52/99/833285299.db2.gz NVHCCVZGUHLIFL-KGLIPLIRSA-N 2 0 346.497 -0.544 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001183268740 833285433 /nfs/dbraw/zinc/28/54/33/833285433.db2.gz WBGOJDBKQPWZFP-HZPDHXFCSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@]1(C)C[NH2+]CC(=O)NC(N)=O ZINC001183399167 833289241 /nfs/dbraw/zinc/28/92/41/833289241.db2.gz OCNCYKIRJUNBHW-MLGOLLRUSA-N 2 0 339.440 -0.649 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001183648264 833298403 /nfs/dbraw/zinc/29/84/03/833298403.db2.gz RNZVHRKKEJUHAM-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001183610472 833296748 /nfs/dbraw/zinc/29/67/48/833296748.db2.gz GPDWWMDLLJDGEN-OAHLLOKOSA-N 2 0 343.468 -0.456 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001183764774 833305536 /nfs/dbraw/zinc/30/55/36/833305536.db2.gz HQBHGOPYSXANEW-VXGBXAGGSA-N 2 0 341.456 -0.249 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001127066618 828247300 /nfs/dbraw/zinc/24/73/00/828247300.db2.gz QPCIGVPOBQVMPO-ZDUSSCGKSA-N 2 0 339.440 -0.447 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1)Nc1cnccn1 ZINC001127256808 828269522 /nfs/dbraw/zinc/26/95/22/828269522.db2.gz RXOLGEARPOFLPY-ZIAGYGMSSA-N 2 0 346.435 -0.005 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(=O)Nc1ncccn1 ZINC001127474313 828296605 /nfs/dbraw/zinc/29/66/05/828296605.db2.gz KYMYERZZJBBSAY-OCCSQVGLSA-N 2 0 346.435 -0.149 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[NH+]3CCC2CC3)no1 ZINC001127474218 828296952 /nfs/dbraw/zinc/29/69/52/828296952.db2.gz KDWMOKVHMOTRHB-ZDUSSCGKSA-N 2 0 335.408 -0.031 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CCO1 ZINC001127479643 828297832 /nfs/dbraw/zinc/29/78/32/828297832.db2.gz DDOYXPYHSHDKPS-ZFWWWQNUSA-N 2 0 338.452 -0.719 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NCC[NH2+]CC(=O)Nc2ccon2)n1 ZINC001127563010 828304112 /nfs/dbraw/zinc/30/41/12/828304112.db2.gz SDGFMQSVJPGNDO-UHFFFAOYSA-N 2 0 349.395 -0.609 20 0 EBADRP CCn1nncc1C[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127576436 828305460 /nfs/dbraw/zinc/30/54/60/828305460.db2.gz PRYIERVPUFBZOF-UHFFFAOYSA-N 2 0 334.428 -0.424 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]C[C@H]2CCCS(=O)(=O)C2)CC[N@@H+]1C ZINC001127638241 828309507 /nfs/dbraw/zinc/30/95/07/828309507.db2.gz IGLVDPIKUMPHSJ-MGPQQGTHSA-N 2 0 331.482 -0.143 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]C[C@@H]2CCCS(=O)(=O)C2)CC[N@@H+]1C ZINC001127638239 828309848 /nfs/dbraw/zinc/30/98/48/828309848.db2.gz IGLVDPIKUMPHSJ-HZSPNIEDSA-N 2 0 331.482 -0.143 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)CC[N@@H+]1C ZINC001127643875 828310166 /nfs/dbraw/zinc/31/01/66/828310166.db2.gz PJVQHARFWDNCFG-HZSPNIEDSA-N 2 0 326.441 -0.815 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC[C@@H]2CCS(=O)(=O)C2)CC[N@@H+]1C ZINC001127638006 828310192 /nfs/dbraw/zinc/31/01/92/828310192.db2.gz DWVQZGYHUCPOKY-MGPQQGTHSA-N 2 0 331.482 -0.143 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127643760 828310308 /nfs/dbraw/zinc/31/03/08/828310308.db2.gz KGVZHIRQDMUHOJ-CHWSQXEVSA-N 2 0 341.456 -0.486 20 0 EBADRP CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127652795 828311024 /nfs/dbraw/zinc/31/10/24/828311024.db2.gz CDQZHWAFGRRAOJ-HUUCEWRRSA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)CC[N@@H+]1C ZINC001127690978 828314730 /nfs/dbraw/zinc/31/47/30/828314730.db2.gz VGSYASNQXWBISI-MGPQQGTHSA-N 2 0 326.441 -0.672 20 0 EBADRP CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001184180976 833322633 /nfs/dbraw/zinc/32/26/33/833322633.db2.gz YUDAWWRJZPMHLL-JTQLQIEISA-N 2 0 331.417 -0.013 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130868103 828983833 /nfs/dbraw/zinc/98/38/33/828983833.db2.gz ZJFRDJYZNXDBCH-LLVKDONJSA-N 2 0 346.391 -0.112 20 0 EBADRP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCCO ZINC001131121084 829047838 /nfs/dbraw/zinc/04/78/38/829047838.db2.gz MDLCYTYHAPKDQM-RBSFLKMASA-N 2 0 335.452 -0.362 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+][C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)CCO1 ZINC001185265130 833352916 /nfs/dbraw/zinc/35/29/16/833352916.db2.gz MDJKENBGUXFCBZ-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001131196767 829069503 /nfs/dbraw/zinc/06/95/03/829069503.db2.gz WPRPMEFOPXVSSR-UHFFFAOYSA-N 2 0 345.363 -0.958 20 0 EBADRP O=C(NCC[NH2+][C@H]1CCCNC1=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001131196657 829070130 /nfs/dbraw/zinc/07/01/30/829070130.db2.gz QBUCPWJEXRIXRW-ZDUSSCGKSA-N 2 0 328.376 -0.135 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C2)CCO1 ZINC001185415909 833358295 /nfs/dbraw/zinc/35/82/95/833358295.db2.gz JVCKHPZXMZHJOX-ZIAGYGMSSA-N 2 0 326.441 -0.624 20 0 EBADRP C[C@H]1CN(C(=O)COCC[NH+](C)C)CC[C@@H]1C[NH2+]CC(=O)N(C)C ZINC001185502076 833360509 /nfs/dbraw/zinc/36/05/09/833360509.db2.gz LBPNDNUPQBATCK-LSDHHAIUSA-N 2 0 342.484 -0.273 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001185650116 833365004 /nfs/dbraw/zinc/36/50/04/833365004.db2.gz DDXPHETXXOCXKK-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP O=C(C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1)NC[C@@H]1CCCO1 ZINC001131370598 829116692 /nfs/dbraw/zinc/11/66/92/829116692.db2.gz OTXUEBMIEGJWSI-HNNXBMFYSA-N 2 0 345.403 -0.051 20 0 EBADRP O=C(NCC[NH2+]C[C@H](O)Cn1cccn1)c1ccc2c[nH+]cn2c1 ZINC001131375092 829118167 /nfs/dbraw/zinc/11/81/67/829118167.db2.gz RJVQUYJHYMQYCE-HNNXBMFYSA-N 2 0 328.376 -0.089 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1)C(=O)NC(N)=O ZINC001185676108 833366516 /nfs/dbraw/zinc/36/65/16/833366516.db2.gz LQGVNHVEGOWACD-NWDGAFQWSA-N 2 0 339.440 -0.508 20 0 EBADRP Cc1cc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)ncn1 ZINC001131519422 829150414 /nfs/dbraw/zinc/15/04/14/829150414.db2.gz DXLLJTLPGIUQFU-GNHJJJEISA-N 2 0 331.420 -0.146 20 0 EBADRP CN1CCC[C@H]([NH2+]CCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1=O ZINC001131519671 829150466 /nfs/dbraw/zinc/15/04/66/829150466.db2.gz IVKPTIKUYBZVGT-YRTQGLMCSA-N 2 0 336.436 -0.824 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C[C@H](O)COCCOC)C1)[NH+](C)C ZINC001185716568 833368080 /nfs/dbraw/zinc/36/80/80/833368080.db2.gz ZGHOCLIGQLPAOY-ILXRZTDVSA-N 2 0 331.457 -0.459 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)NCC1CC1 ZINC001131519864 829152430 /nfs/dbraw/zinc/15/24/30/829152430.db2.gz LPTWOUXMZYYXGG-XOYHFGRZSA-N 2 0 336.436 -0.918 20 0 EBADRP O=C(NCC[NH2+]C[C@H]1CCc2ncnn21)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131521788 829153841 /nfs/dbraw/zinc/15/38/41/829153841.db2.gz HSICVQGQSAULBL-DLOXAQCQSA-N 2 0 346.435 -0.666 20 0 EBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1=O ZINC001131522154 829154401 /nfs/dbraw/zinc/15/44/01/829154401.db2.gz UPTRAMPKNVAUPV-YXXKGXSTSA-N 2 0 336.436 -0.824 20 0 EBADRP COc1cncc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)n1 ZINC001131522062 829154863 /nfs/dbraw/zinc/15/48/63/829154863.db2.gz REUVALPXUYDNKE-TVIZTDCDSA-N 2 0 347.419 -0.446 20 0 EBADRP C[NH+](C)CCc1ccccc1C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001131799113 829223249 /nfs/dbraw/zinc/22/32/49/829223249.db2.gz IHXGYUOAYZYCML-OAHLLOKOSA-N 2 0 346.431 -0.085 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001131815380 829226303 /nfs/dbraw/zinc/22/63/03/829226303.db2.gz AWMJOWNEKWMOKY-UHFFFAOYSA-N 2 0 341.456 -0.198 20 0 EBADRP C[NH+](C)C1(CC(=O)NCC[NH2+]CCNS(C)(=O)=O)CCCC1 ZINC001131845270 829245219 /nfs/dbraw/zinc/24/52/19/829245219.db2.gz VLDKUCHISQHVPD-UHFFFAOYSA-N 2 0 334.486 -0.494 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001186496650 833403421 /nfs/dbraw/zinc/40/34/21/833403421.db2.gz OJSRTIUXKZDPEE-GFCCVEGCSA-N 2 0 325.413 -0.930 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)COCCOC)C1 ZINC001186487850 833403430 /nfs/dbraw/zinc/40/34/30/833403430.db2.gz MSUVJBKTYXIQLV-CABCVRRESA-N 2 0 331.457 -0.457 20 0 EBADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001186412104 833401089 /nfs/dbraw/zinc/40/10/89/833401089.db2.gz LOCIVJHHCWASHJ-CYBMUJFWSA-N 2 0 341.456 -0.116 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001186496819 833403510 /nfs/dbraw/zinc/40/35/10/833403510.db2.gz RPVGHHWLBOHEDA-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)(C(=O)NCC[NH2+]CC(=O)NC1CCOCC1)[NH+]1CCCC1 ZINC001132280673 829405555 /nfs/dbraw/zinc/40/55/55/829405555.db2.gz PXYJBZRXWQCMFB-UHFFFAOYSA-N 2 0 340.468 -0.138 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)CC1 ZINC001186616628 833409727 /nfs/dbraw/zinc/40/97/27/833409727.db2.gz SVHLVESDZYFCKA-CYBMUJFWSA-N 2 0 347.481 -0.668 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+]C[C@@H](O)COCCOC)C1 ZINC001132738359 829512107 /nfs/dbraw/zinc/51/21/07/829512107.db2.gz ZTKHYPRDCRAERB-JKSUJKDBSA-N 2 0 345.484 -0.162 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001132742744 829513415 /nfs/dbraw/zinc/51/34/15/829513415.db2.gz FUIJEGMJMXKZKN-VXGBXAGGSA-N 2 0 327.429 -0.602 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001132848185 829533621 /nfs/dbraw/zinc/53/36/21/829533621.db2.gz ANVKZERZIHYQMV-KGLIPLIRSA-N 2 0 336.440 -0.420 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCCN2CCCC2=O)C1 ZINC001132844063 829533778 /nfs/dbraw/zinc/53/37/78/829533778.db2.gz FVIPRCFYGMSLDK-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C)CC[N@@H+]1C ZINC001132893352 829545545 /nfs/dbraw/zinc/54/55/45/829545545.db2.gz NTPZFNFKNIAXDC-KBPBESRZSA-N 2 0 348.513 -0.296 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132893593 829546019 /nfs/dbraw/zinc/54/60/19/829546019.db2.gz UCGZJGXVVYPWIL-KKUMJFAQSA-N 2 0 342.484 -0.036 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132983492 829566381 /nfs/dbraw/zinc/56/63/81/829566381.db2.gz ABOIQPMFYHYLCG-UHFFFAOYSA-N 2 0 340.424 -0.187 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)CC1 ZINC001132993084 829567721 /nfs/dbraw/zinc/56/77/21/829567721.db2.gz MTLFBMBUDGSOLC-ZDUSSCGKSA-N 2 0 326.441 -0.671 20 0 EBADRP Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)C3(C[NH+](C)C)CC3)C2=O)n1 ZINC001132995520 829569089 /nfs/dbraw/zinc/56/90/89/829569089.db2.gz WPJJHVVSBGIQDP-ZDUSSCGKSA-N 2 0 348.451 -0.427 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)CCC[NH+](C)C)C(=O)NC(=O)NC1CC1 ZINC001133051342 829577826 /nfs/dbraw/zinc/57/78/26/829577826.db2.gz DTRKLVQPMILCRH-LLVKDONJSA-N 2 0 327.429 -0.589 20 0 EBADRP CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133051919 829578445 /nfs/dbraw/zinc/57/84/45/829578445.db2.gz UZJKMZHVOCIQBS-CQSZACIVSA-N 2 0 330.473 -0.035 20 0 EBADRP C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133072396 829579413 /nfs/dbraw/zinc/57/94/13/829579413.db2.gz IEBAPVWZMZJLEW-OLZOCXBDSA-N 2 0 341.456 -0.403 20 0 EBADRP CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133285953 829614967 /nfs/dbraw/zinc/61/49/67/829614967.db2.gz PNIXGDSDPMTVHW-CQSZACIVSA-N 2 0 342.484 -0.035 20 0 EBADRP COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133287004 829616313 /nfs/dbraw/zinc/61/63/13/829616313.db2.gz BSMIPGAWBSAWFN-HIFRSBDPSA-N 2 0 331.457 -0.554 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001186824662 833431723 /nfs/dbraw/zinc/43/17/23/833431723.db2.gz DSZONFSKCZLYNK-CQSZACIVSA-N 2 0 346.497 -0.446 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133434707 829630947 /nfs/dbraw/zinc/63/09/47/829630947.db2.gz ZRAVBFAXYXLSTL-QWHCGFSZSA-N 2 0 343.472 -0.099 20 0 EBADRP CC(C)[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001133434534 829631078 /nfs/dbraw/zinc/63/10/78/829631078.db2.gz WBSWINYMNBTIAZ-DGCLKSJQSA-N 2 0 341.456 -0.345 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC)[NH+](CC)CC ZINC001133690105 829662189 /nfs/dbraw/zinc/66/21/89/829662189.db2.gz HWHCJHJXMOVCQW-VXGBXAGGSA-N 2 0 329.445 -0.343 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001133819976 829679372 /nfs/dbraw/zinc/67/93/72/829679372.db2.gz UIBUZOZJIIGUCO-UONOGXRCSA-N 2 0 326.441 -0.528 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133831507 829681254 /nfs/dbraw/zinc/68/12/54/829681254.db2.gz PHZITWCCHPKKJB-NEPJUHHUSA-N 2 0 327.429 -0.589 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001133834390 829681985 /nfs/dbraw/zinc/68/19/85/829681985.db2.gz WAMUDJUWESTNAC-GFCCVEGCSA-N 2 0 339.440 -0.493 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001133845719 829684716 /nfs/dbraw/zinc/68/47/16/829684716.db2.gz MGYVIPXZMFJHBP-ZIAGYGMSSA-N 2 0 326.441 -0.719 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001133845716 829684871 /nfs/dbraw/zinc/68/48/71/829684871.db2.gz MGYVIPXZMFJHBP-KBPBESRZSA-N 2 0 326.441 -0.719 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001133846209 829685111 /nfs/dbraw/zinc/68/51/11/829685111.db2.gz WBSUIGRLMHAVSA-ZDUSSCGKSA-N 2 0 332.470 -0.931 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001133846208 829685556 /nfs/dbraw/zinc/68/55/56/829685556.db2.gz WBSUIGRLMHAVSA-CYBMUJFWSA-N 2 0 332.470 -0.931 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133850688 829687336 /nfs/dbraw/zinc/68/73/36/829687336.db2.gz QAHQHNUCAXALIG-UONOGXRCSA-N 2 0 328.457 -0.425 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)NCC[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001133873405 829691934 /nfs/dbraw/zinc/69/19/34/829691934.db2.gz XUIBIQGLFDOAFV-UHFFFAOYSA-N 2 0 340.468 -0.281 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001133896518 829695214 /nfs/dbraw/zinc/69/52/14/829695214.db2.gz LXRIFVCUDRUYPD-ZDUSSCGKSA-N 2 0 331.482 -0.141 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001134756478 829840174 /nfs/dbraw/zinc/84/01/74/829840174.db2.gz FQVDKWQPYDSEOR-HOTGVXAUSA-N 2 0 345.484 -0.019 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134776262 829843890 /nfs/dbraw/zinc/84/38/90/829843890.db2.gz OURVVRKHUNMNPQ-UHFFFAOYSA-N 2 0 328.457 -0.423 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134774269 829844349 /nfs/dbraw/zinc/84/43/49/829844349.db2.gz WZQRUOSPZSEUSW-QWRGUYRKSA-N 2 0 329.445 -0.216 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134783567 829844616 /nfs/dbraw/zinc/84/46/16/829844616.db2.gz ZAYIWHMNYAZIOK-AWEZNQCLSA-N 2 0 342.484 -0.035 20 0 EBADRP CN(C(=O)C[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1)C1CC1 ZINC001135114793 829899166 /nfs/dbraw/zinc/89/91/66/829899166.db2.gz NLIDVKMFMFHKAI-UHFFFAOYSA-N 2 0 336.440 -0.615 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)NCC(=O)NC(C)(C)C ZINC001135511592 829978427 /nfs/dbraw/zinc/97/84/27/829978427.db2.gz USSSSHQTJSLFCZ-UHFFFAOYSA-N 2 0 343.472 -0.935 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC001135523562 829981146 /nfs/dbraw/zinc/98/11/46/829981146.db2.gz JAELWBZKISBBCB-UHFFFAOYSA-N 2 0 341.456 -0.246 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001135523532 829981399 /nfs/dbraw/zinc/98/13/99/829981399.db2.gz HOWQQBZTOGDYII-UHFFFAOYSA-N 2 0 327.429 -0.636 20 0 EBADRP CC1CC[NH+](CC(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001135688420 830008886 /nfs/dbraw/zinc/00/88/86/830008886.db2.gz PHXUIIZZUBTJBM-CQSZACIVSA-N 2 0 331.482 -0.141 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001135706235 830012750 /nfs/dbraw/zinc/01/27/50/830012750.db2.gz QOTYERZWAKKGMN-CHWSQXEVSA-N 2 0 341.456 -0.247 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001135861407 830035926 /nfs/dbraw/zinc/03/59/26/830035926.db2.gz QJZCSCWZPJNTJT-NWDGAFQWSA-N 2 0 329.445 -0.343 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]Cc1ncnn1C)NC(=O)COCC[NH+](C)C ZINC001135923051 830046313 /nfs/dbraw/zinc/04/63/13/830046313.db2.gz GKLGJPWLNKCTQE-QWHCGFSZSA-N 2 0 326.445 -0.234 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C12CC[NH+](CC1)C2 ZINC001135937980 830049109 /nfs/dbraw/zinc/04/91/09/830049109.db2.gz CHEIPVSBCIJVSU-RYUDHWBXSA-N 2 0 336.440 -0.423 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001135978962 830056096 /nfs/dbraw/zinc/05/60/96/830056096.db2.gz AACNVEYGQATGRI-STQMWFEESA-N 2 0 341.456 -0.247 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001211257855 837418458 /nfs/dbraw/zinc/41/84/58/837418458.db2.gz VVZOLARUDHKNLW-QWHCGFSZSA-N 2 0 339.440 -0.364 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001211279316 837421483 /nfs/dbraw/zinc/42/14/83/837421483.db2.gz WTFJXNOULSXTKP-AWEZNQCLSA-N 2 0 348.513 -0.201 20 0 EBADRP COCCOC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211286142 837421735 /nfs/dbraw/zinc/42/17/35/837421735.db2.gz TYMBHHTYJWWBNC-HZPDHXFCSA-N 2 0 345.484 -0.069 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001211286053 837422049 /nfs/dbraw/zinc/42/20/49/837422049.db2.gz SFZIXZPQYWDIMY-NWDGAFQWSA-N 2 0 327.429 -0.509 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)NCC[NH2+]CCN2CCNC2=O)CC1 ZINC001146384406 830195898 /nfs/dbraw/zinc/19/58/98/830195898.db2.gz QYMDJTJLDGQBOT-UHFFFAOYSA-N 2 0 325.457 -0.162 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CCC[NH+]1CCCC1 ZINC001146537573 830206492 /nfs/dbraw/zinc/20/64/92/830206492.db2.gz YJRSFQBQVNINIV-QWHCGFSZSA-N 2 0 341.456 -0.070 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CC[NH+]1CCCCC1 ZINC001146613172 830212387 /nfs/dbraw/zinc/21/23/87/830212387.db2.gz ROKBZRMLZHUDHP-QWHCGFSZSA-N 2 0 341.456 -0.070 20 0 EBADRP CC[N@H+](C)[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)c1ccccc1 ZINC001147466815 830348746 /nfs/dbraw/zinc/34/87/46/830348746.db2.gz XFMUUWRMVOUPBF-TZMCWYRMSA-N 2 0 349.435 -0.031 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147836216 830419106 /nfs/dbraw/zinc/41/91/06/830419106.db2.gz ZKMDEAGADXUJNP-KGLIPLIRSA-N 2 0 348.513 -0.248 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC(=O)Nc1nccs1 ZINC001147842054 830419161 /nfs/dbraw/zinc/41/91/61/830419161.db2.gz KVCFXVFHRPJDKT-UHFFFAOYSA-N 2 0 329.426 -0.634 20 0 EBADRP COc1ncc(C[NH2+]CCNC(=O)COCC[NH+](C)C)c(C)n1 ZINC001147842426 830420184 /nfs/dbraw/zinc/42/01/84/830420184.db2.gz XAOFXOJDVSUXGW-UHFFFAOYSA-N 2 0 325.413 -0.422 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001147891527 830426219 /nfs/dbraw/zinc/42/62/19/830426219.db2.gz BGGSXTPCUIRNLN-GFCCVEGCSA-N 2 0 341.456 -0.342 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001147892945 830426830 /nfs/dbraw/zinc/42/68/30/830426830.db2.gz MAGAMJIDBZFYBV-KBPBESRZSA-N 2 0 326.441 -0.719 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001147892946 830427190 /nfs/dbraw/zinc/42/71/90/830427190.db2.gz MAGAMJIDBZFYBV-KGLIPLIRSA-N 2 0 326.441 -0.719 20 0 EBADRP CCC(CC)NC(=O)[C@@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147892590 830427420 /nfs/dbraw/zinc/42/74/20/830427420.db2.gz KGNIGOLKBJPJSP-CYBMUJFWSA-N 2 0 330.473 -0.036 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCNC(=O)C[C@@H]2CC[N@H+](C)C2)n(C)n1 ZINC001147899898 830428033 /nfs/dbraw/zinc/42/80/33/830428033.db2.gz BVIQSCZQCSWQJW-ZDUSSCGKSA-N 2 0 336.440 -0.285 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C12CC[NH+](CC1)C2)C(=O)Nc1ncccn1 ZINC001147976799 830434177 /nfs/dbraw/zinc/43/41/77/830434177.db2.gz ALPVNVONQVOTBA-GFCCVEGCSA-N 2 0 332.408 -0.395 20 0 EBADRP Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)C34CC[NH+](CC3)C4)C2=O)cn1 ZINC001147995101 830434960 /nfs/dbraw/zinc/43/49/60/830434960.db2.gz YUKXWHSJMOVUPN-CQSZACIVSA-N 2 0 346.435 -0.673 20 0 EBADRP CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001148000479 830437030 /nfs/dbraw/zinc/43/70/30/830437030.db2.gz QSRMWMOQDWWWBR-AWEZNQCLSA-N 2 0 340.468 -0.281 20 0 EBADRP C[NH+](C)CCCCC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001148359895 830475299 /nfs/dbraw/zinc/47/52/99/830475299.db2.gz GNEPWLBNKCKGQH-AWEZNQCLSA-N 2 0 328.457 -0.281 20 0 EBADRP C[NH+](C)CCCCC(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001148359783 830475341 /nfs/dbraw/zinc/47/53/41/830475341.db2.gz CYXGXVJLPNUVQO-UHFFFAOYSA-N 2 0 328.457 -0.281 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148365245 830475457 /nfs/dbraw/zinc/47/54/57/830475457.db2.gz MUAXHNMQKXQBIR-UHFFFAOYSA-N 2 0 343.472 -0.094 20 0 EBADRP COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148360512 830475909 /nfs/dbraw/zinc/47/59/09/830475909.db2.gz WIGHWSNREULQBF-GJZGRUSLSA-N 2 0 333.473 -0.164 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NCC ZINC001148571089 830510717 /nfs/dbraw/zinc/51/07/17/830510717.db2.gz VTWZJFRZEZLVSJ-LBPRGKRZSA-N 2 0 329.445 -0.342 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001148578157 830512057 /nfs/dbraw/zinc/51/20/57/830512057.db2.gz PDXKSONIGCQYBA-JKSUJKDBSA-N 2 0 345.484 -0.019 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001148578154 830512119 /nfs/dbraw/zinc/51/21/19/830512119.db2.gz PDXKSONIGCQYBA-CVEARBPZSA-N 2 0 345.484 -0.019 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[NH+](CCNC(=O)C2CC2)C3)C1 ZINC001148748281 830536775 /nfs/dbraw/zinc/53/67/75/830536775.db2.gz NFVDDRUJDCDPRN-OAHLLOKOSA-N 2 0 334.464 -0.001 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC2(C1)CC[NH+]([C@H](C)C(=O)NC(N)=O)C2 ZINC001148843847 830547820 /nfs/dbraw/zinc/54/78/20/830547820.db2.gz HYODQXWNRUQLSI-GFCCVEGCSA-N 2 0 339.440 -0.556 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCn2cncn2)CCCO1 ZINC001150546593 830928827 /nfs/dbraw/zinc/92/88/27/830928827.db2.gz HAFKCUPOHDLADZ-OAHLLOKOSA-N 2 0 338.456 -0.173 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2C[NH+](CCOCCO)CCCO2)C1 ZINC001150586828 830939032 /nfs/dbraw/zinc/93/90/32/830939032.db2.gz AYFZFOHRMDMZRI-JKSUJKDBSA-N 2 0 343.468 -0.456 20 0 EBADRP CO[C@@H](C)C[N@@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150590073 830940405 /nfs/dbraw/zinc/94/04/05/830940405.db2.gz YDJGIHOCUIELAJ-GJZGRUSLSA-N 2 0 331.457 -0.193 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@H](O)COC)CCCO1 ZINC001150620608 830946388 /nfs/dbraw/zinc/94/63/88/830946388.db2.gz UJEWPEBISUUMQV-LSDHHAIUSA-N 2 0 331.457 -0.457 20 0 EBADRP CCC[N@H+](C)CCC(=O)NC[C@H]1C[NH+](CCOCCO)CCCO1 ZINC001150624559 830946939 /nfs/dbraw/zinc/94/69/39/830946939.db2.gz BIZDYLUEGFOFLN-INIZCTEOSA-N 2 0 345.484 -0.066 20 0 EBADRP CCC[N@H+](C)CCC(=O)NC[C@H]1C[NH+](C[C@@H](O)COC)CCCO1 ZINC001150625059 830947947 /nfs/dbraw/zinc/94/79/47/830947947.db2.gz IEEZYEVIBHEUME-CVEARBPZSA-N 2 0 345.484 -0.067 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(=O)NC(C)(C)C ZINC001151049678 831015854 /nfs/dbraw/zinc/01/58/54/831015854.db2.gz WAERSSFNVIUKKO-NWDGAFQWSA-N 2 0 341.456 -0.343 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCOC[C@@H]2C2CC2)C1 ZINC001151058118 831018477 /nfs/dbraw/zinc/01/84/77/831018477.db2.gz WOQVJLAJRNTQNF-HUUCEWRRSA-N 2 0 338.452 -0.719 20 0 EBADRP Cc1cc(N2CC[C@H]([NH2+]CCNC(=O)[C@H]3CC[N@H+](C)C3)C2=O)n(C)n1 ZINC001151065653 831019342 /nfs/dbraw/zinc/01/93/42/831019342.db2.gz MDGWIXIRORJGKJ-KBPBESRZSA-N 2 0 348.451 -0.509 20 0 EBADRP Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)[C@@H]3CC[N@H+](C)C3)C2=O)n1 ZINC001151066277 831020466 /nfs/dbraw/zinc/02/04/66/831020466.db2.gz RKXYVCFFGYFNOE-CHWSQXEVSA-N 2 0 334.424 -0.817 20 0 EBADRP Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)[C@H]3CC[N@H+](C)C3)C2=O)cn1 ZINC001151064728 831020884 /nfs/dbraw/zinc/02/08/84/831020884.db2.gz DRSBJAGAZPKPPQ-JSGCOSHPSA-N 2 0 334.424 -0.817 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F)C1 ZINC001151066757 831021360 /nfs/dbraw/zinc/02/13/60/831021360.db2.gz YLQJAPOPUYKBFA-GHMZBOCLSA-N 2 0 327.347 -0.416 20 0 EBADRP O=C(C[NH+]1CCCC1)NCC[NH2+]C[C@H](O)COCC(F)(F)F ZINC001151100432 831026453 /nfs/dbraw/zinc/02/64/53/831026453.db2.gz CZYSHAVJHXPFQO-NSHDSACASA-N 2 0 327.347 -0.272 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)N(C)CC1CC1 ZINC001151152491 831030823 /nfs/dbraw/zinc/03/08/23/831030823.db2.gz UXIXYJINHYCJQS-CQSZACIVSA-N 2 0 340.468 -0.471 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001151152494 831031612 /nfs/dbraw/zinc/03/16/12/831031612.db2.gz UZLIYDQXMHPWHB-ZDUSSCGKSA-N 2 0 326.441 -0.813 20 0 EBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1=O ZINC001151158619 831034180 /nfs/dbraw/zinc/03/41/80/831034180.db2.gz QFCWYLOAMPRSAS-UONOGXRCSA-N 2 0 326.441 -0.719 20 0 EBADRP Cc1noc(CCC[NH2+]CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)n1 ZINC001151159268 831035844 /nfs/dbraw/zinc/03/58/44/831035844.db2.gz RHRFLYVSHBFDTH-ZDUSSCGKSA-N 2 0 339.440 -0.015 20 0 EBADRP C[C@H](C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1)CS(C)(=O)=O ZINC001151159918 831037443 /nfs/dbraw/zinc/03/74/43/831037443.db2.gz VLHKWGWXXMRNHU-KGLIPLIRSA-N 2 0 349.497 -0.659 20 0 EBADRP COCCC1(NC(=O)COCC[NH+](C)C)CC[NH+](CCO)CC1 ZINC001151392338 831069199 /nfs/dbraw/zinc/06/91/99/831069199.db2.gz HIBCEPGPVGAYCZ-UHFFFAOYSA-N 2 0 331.457 -0.456 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152237329 831144580 /nfs/dbraw/zinc/14/45/80/831144580.db2.gz NQBSNQDOXTUFOR-UHFFFAOYSA-N 2 0 348.513 -0.150 20 0 EBADRP C[NH+](C)Cc1cccc(C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)c1 ZINC001152246284 831144700 /nfs/dbraw/zinc/14/47/00/831144700.db2.gz WKDURZLOOXQHLE-AWEZNQCLSA-N 2 0 332.404 -0.127 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001152427352 831162174 /nfs/dbraw/zinc/16/21/74/831162174.db2.gz WREXLMJJCZAAAD-ZDUSSCGKSA-N 2 0 334.486 -0.686 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001152432508 831162782 /nfs/dbraw/zinc/16/27/82/831162782.db2.gz IXEBJIQKRWHVPF-AWEZNQCLSA-N 2 0 331.457 -0.411 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152470730 831165564 /nfs/dbraw/zinc/16/55/64/831165564.db2.gz GCWHZBZCISXWHF-OLZOCXBDSA-N 2 0 341.456 -0.343 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCOCCNC(C)=O ZINC001152459062 831165859 /nfs/dbraw/zinc/16/58/59/831165859.db2.gz XWWMSPODBZMZEP-OAHLLOKOSA-N 2 0 328.457 -0.281 20 0 EBADRP CC(C)[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)[NH+]1CCCC1 ZINC001152473989 831166265 /nfs/dbraw/zinc/16/62/65/831166265.db2.gz YARFFTUGCAKRJL-VXGBXAGGSA-N 2 0 327.429 -0.604 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCCC[NH+]1CCCC1 ZINC001153300254 831220348 /nfs/dbraw/zinc/22/03/48/831220348.db2.gz HMFWUVPNNCIFOU-ZDUSSCGKSA-N 2 0 341.456 -0.198 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCCC[NH+]1CCCC1 ZINC001153300253 831220618 /nfs/dbraw/zinc/22/06/18/831220618.db2.gz HMFWUVPNNCIFOU-CYBMUJFWSA-N 2 0 341.456 -0.198 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(c3cc(C4C[NH2+]C4)ncn3)C[C@H]1C2 ZINC001154639584 831355919 /nfs/dbraw/zinc/35/59/19/831355919.db2.gz DHPUQVFQCJDDPX-KEIZMWOVSA-N 2 0 343.431 -0.002 20 0 EBADRP CC[N@H+](CCOCCO)[C@H](C)CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001154838120 831366548 /nfs/dbraw/zinc/36/65/48/831366548.db2.gz PUTBDRPCWYTUSO-HZPDHXFCSA-N 2 0 345.484 -0.069 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[N@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155023983 831380349 /nfs/dbraw/zinc/38/03/49/831380349.db2.gz QDLVOHCLVXBAEV-OLZOCXBDSA-N 2 0 343.472 -0.001 20 0 EBADRP CCOC(=O)c1c(C[NH3+])ncn1-c1cncc(N2CC[NH2+]CC2)n1 ZINC001155083490 831384041 /nfs/dbraw/zinc/38/40/41/831384041.db2.gz BXVXPJBYKABVIW-UHFFFAOYSA-N 2 0 331.380 -0.293 20 0 EBADRP c1ncc(N2CC[NH2+]CC2)nc1NCc1nnn2c1C[NH2+]CCC2 ZINC001155397270 831404083 /nfs/dbraw/zinc/40/40/83/831404083.db2.gz FQSZGGGURYENSG-UHFFFAOYSA-N 2 0 329.412 -0.417 20 0 EBADRP O=C(c1cccnc1N[C@H]1COCCC12C[NH2+]C2)N1CC[NH2+]CC1 ZINC001155470749 831408065 /nfs/dbraw/zinc/40/80/65/831408065.db2.gz WJAUZNPNPRIMSG-AWEZNQCLSA-N 2 0 331.420 -0.083 20 0 EBADRP O=C(c1cccnc1N[C@@]12CC[NH2+][C@H]1CC(=O)N2)N1CC[NH2+]CC1 ZINC001155574714 831414150 /nfs/dbraw/zinc/41/41/50/831414150.db2.gz JIJWJUQRXHZMOC-LRDDRELGSA-N 2 0 330.392 -0.883 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCc1cccnc1 ZINC001155789251 831428878 /nfs/dbraw/zinc/42/88/78/831428878.db2.gz CNKDDBHHCUGQTP-OAHLLOKOSA-N 2 0 333.436 -0.112 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155790637 831429733 /nfs/dbraw/zinc/42/97/33/831429733.db2.gz KRBGKYMVQXEBOI-VXGBXAGGSA-N 2 0 327.429 -0.589 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155790644 831430288 /nfs/dbraw/zinc/43/02/88/831430288.db2.gz LAWZFVOVJZDCDM-GFCCVEGCSA-N 2 0 327.429 -0.588 20 0 EBADRP Cn1ccc(N2CC[C@H]([NH2+]CCCNC(=O)[C@H]3CCC[N@@H+]3C)C2=O)n1 ZINC001155813686 831431960 /nfs/dbraw/zinc/43/19/60/831431960.db2.gz TWDPBEBOJWLXMD-UONOGXRCSA-N 2 0 348.451 -0.285 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001155812929 831432554 /nfs/dbraw/zinc/43/25/54/831432554.db2.gz QJUMBLYFUSPBIQ-ZIAGYGMSSA-N 2 0 346.497 -0.542 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155822491 831433658 /nfs/dbraw/zinc/43/36/58/831433658.db2.gz RZTVVJZYHRDBRO-QWHCGFSZSA-N 2 0 341.456 -0.201 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001155814504 831433973 /nfs/dbraw/zinc/43/39/73/831433973.db2.gz YOOFRPBKPUBJHJ-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP CN(c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2)C1CC[NH2+]CC1 ZINC001156169949 831460836 /nfs/dbraw/zinc/46/08/36/831460836.db2.gz YXFJHQSWTOWPBF-UHFFFAOYSA-N 2 0 339.465 -0.244 20 0 EBADRP CS(=O)(=O)c1nc2c(c(NC(=N)SCC[NH3+])n1)CC[NH2+]CC2 ZINC001157128133 831538341 /nfs/dbraw/zinc/53/83/41/831538341.db2.gz CCRKUNUJIACLNB-UHFFFAOYSA-N 2 0 344.466 -0.393 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[NH2+]CC12CCOCC2 ZINC001157323020 831553591 /nfs/dbraw/zinc/55/35/91/831553591.db2.gz JDJZPTLTWPHLNP-OLZOCXBDSA-N 2 0 326.441 -0.638 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)[C@@H]1C[NH2+]CCCO1)C(=O)N1CCCC1 ZINC001157369821 831561361 /nfs/dbraw/zinc/56/13/61/831561361.db2.gz XGIGZSKYLUFPHQ-KBPBESRZSA-N 2 0 326.441 -0.399 20 0 EBADRP CO[C@H]1CC[NH2+][C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)C1 ZINC001157386871 831564730 /nfs/dbraw/zinc/56/47/30/831564730.db2.gz RBLSPXQBEDXBJQ-SOUVJXGZSA-N 2 0 340.468 -0.010 20 0 EBADRP [NH3+][C@H](C(=O)N1CCn2nc(C(F)(F)F)nc2C1)C1CC[NH2+]CC1 ZINC001157521992 831576292 /nfs/dbraw/zinc/57/62/92/831576292.db2.gz NLKJEDZPUBLYDN-JTQLQIEISA-N 2 0 332.330 -0.034 20 0 EBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)CC1 ZINC001157740979 831589709 /nfs/dbraw/zinc/58/97/09/831589709.db2.gz RLBPZRYHMVWSNP-YPMHNXCESA-N 2 0 333.429 -0.557 20 0 EBADRP CS(=O)(=O)c1nc2c(c(N3CC[C@](F)(C[NH3+])C3)n1)CC[NH2+]CC2 ZINC001157809737 831593795 /nfs/dbraw/zinc/59/37/95/831593795.db2.gz SKPBZCLFHCYYBN-AWEZNQCLSA-N 2 0 343.428 -0.555 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCN(c2nccnc2Cl)CC1 ZINC001157877742 831601982 /nfs/dbraw/zinc/60/19/82/831601982.db2.gz PTUNYVVZECCHLC-JTQLQIEISA-N 2 0 344.872 -0.202 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001157894322 831603846 /nfs/dbraw/zinc/60/38/46/831603846.db2.gz ZMEDTGDZEUPXQK-CQSZACIVSA-N 2 0 348.513 -0.106 20 0 EBADRP CCNS(=O)(=O)c1cccnc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001157914675 831606993 /nfs/dbraw/zinc/60/69/93/831606993.db2.gz FKMBXABGDYAIQL-UHFFFAOYSA-N 2 0 326.426 -0.026 20 0 EBADRP C[NH+]1CCN(C(=[NH2+])Nc2ccc(C(=O)NC3CCOCC3)nn2)CC1 ZINC001157915959 831607323 /nfs/dbraw/zinc/60/73/23/831607323.db2.gz IKVMTDQZIRWFLE-UHFFFAOYSA-N 2 0 347.423 -0.021 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158036255 831622216 /nfs/dbraw/zinc/62/22/16/831622216.db2.gz BBFPVTTVRCWODY-KBPBESRZSA-N 2 0 346.497 -0.494 20 0 EBADRP [NH3+][C@@H](CCOCc1ccccc1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091379 831626056 /nfs/dbraw/zinc/62/60/56/831626056.db2.gz BXVDMMAOMGCMTF-MAUKXSAKSA-N 2 0 346.431 -0.389 20 0 EBADRP O=C(N1CC(=O)NC[C@]12CC[NH2+]C2)C1(c2ccccc2)CC[NH2+]CC1 ZINC001158091625 831626788 /nfs/dbraw/zinc/62/67/88/831626788.db2.gz FZJMQLJWSSYIEO-GOSISDBHSA-N 2 0 342.443 -0.002 20 0 EBADRP CS(=O)(=O)c1nc2c(c(-n3cc(CC[NH3+])cn3)n1)CC[NH2+]CC2 ZINC001158096409 831627222 /nfs/dbraw/zinc/62/72/22/831627222.db2.gz TYKLXYYNTDTUEH-UHFFFAOYSA-N 2 0 336.421 -0.745 20 0 EBADRP [NH3+][C@@]1(C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)CCc2cc(F)ccc2C1 ZINC001158101202 831627956 /nfs/dbraw/zinc/62/79/56/831627956.db2.gz HGQKTWDOFXPJII-ROUUACIJSA-N 2 0 346.406 -0.298 20 0 EBADRP O=C([C@H]1C[C@@H](C(F)(F)F)C[NH2+]1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158110683 831629003 /nfs/dbraw/zinc/62/90/03/831629003.db2.gz HUKHODLZIGTGBH-RULNRJAQSA-N 2 0 346.353 -0.535 20 0 EBADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119008 831629964 /nfs/dbraw/zinc/62/99/64/831629964.db2.gz FQGQTFDCHMAGKC-HWSKEQOTSA-N 2 0 332.448 -0.155 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])CC(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158118612 831630022 /nfs/dbraw/zinc/63/00/22/831630022.db2.gz BMGUMRWRWADHIK-SJKOYZFVSA-N 2 0 338.452 -0.543 20 0 EBADRP O=C([C@@H]1CC[C@]2(C1)C[NH2+]CCO2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158118758 831630134 /nfs/dbraw/zinc/63/01/34/831630134.db2.gz DFGYYWHBRFZLBF-BVGQSLNGSA-N 2 0 348.447 -0.917 20 0 EBADRP O=C(c1cncc2c1CC[NH2+]C2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158121180 831630868 /nfs/dbraw/zinc/63/08/68/831630868.db2.gz XCSJUNBVVHIYHT-SFHVURJKSA-N 2 0 341.415 -0.721 20 0 EBADRP C[NH2+][C@H](C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)c1ccccc1 ZINC001158122168 831630953 /nfs/dbraw/zinc/63/09/53/831630953.db2.gz ZJXLSJSVUXMIJC-KBXCAEBGSA-N 2 0 328.416 -0.115 20 0 EBADRP C[NH2+][C@H](C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)c1ccccc1 ZINC001158122169 831631123 /nfs/dbraw/zinc/63/11/23/831631123.db2.gz ZJXLSJSVUXMIJC-KSSFIOAISA-N 2 0 328.416 -0.115 20 0 EBADRP [NH3+][C@H](Cc1ccccc1F)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158121447 831631169 /nfs/dbraw/zinc/63/11/69/831631169.db2.gz UGQSITDPTMNUTM-KDOFPFPSSA-N 2 0 346.406 -0.366 20 0 EBADRP [NH3+]C1(C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)Cc2ccccc2C1 ZINC001158121359 831631221 /nfs/dbraw/zinc/63/12/21/831631221.db2.gz RVPFTDGCLXFVNJ-SFHVURJKSA-N 2 0 340.427 -0.579 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158180471 831636853 /nfs/dbraw/zinc/63/68/53/831636853.db2.gz WYHUQVWQRLPXKE-LTIDMASMSA-N 2 0 333.432 -0.246 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158187458 831637772 /nfs/dbraw/zinc/63/77/72/831637772.db2.gz QNIUDRJIVALMAR-CWVKQELPSA-N 2 0 337.468 -0.617 20 0 EBADRP [NH3+]CC12CC(C1)CN2C(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001158186339 831637921 /nfs/dbraw/zinc/63/79/21/831637921.db2.gz FVGQGWRICYKKTC-MQYJIDSJSA-N 2 0 327.450 -0.650 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(=O)NC(N)=O ZINC001158202141 831638887 /nfs/dbraw/zinc/63/88/87/831638887.db2.gz DNCJAIJIZKVPHR-JQWIXIFHSA-N 2 0 325.413 -0.993 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158196407 831638923 /nfs/dbraw/zinc/63/89/23/831638923.db2.gz LZLHGGVLQZGQCX-HNNXBMFYSA-N 2 0 340.468 -0.423 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C(N)=O ZINC001158257151 831640815 /nfs/dbraw/zinc/64/08/15/831640815.db2.gz RMIGHDAKYQYLCO-YUELXQCFSA-N 2 0 340.468 -0.297 20 0 EBADRP O=C([C@@H]1C[NH2+]CCC1(F)F)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277902 831642666 /nfs/dbraw/zinc/64/26/66/831642666.db2.gz WXDDICAKZVQOLA-NSHDSACASA-N 2 0 340.378 -0.056 20 0 EBADRP O=C(C[C@H]1C[NH2+]CC1(F)F)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277666 831642759 /nfs/dbraw/zinc/64/27/59/831642759.db2.gz RHMBKLUVBFVXBU-NSHDSACASA-N 2 0 340.378 -0.056 20 0 EBADRP Cn1ncnc1C[NH2+]CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001158287258 831644117 /nfs/dbraw/zinc/64/41/17/831644117.db2.gz BKKREUCTNAOHIP-UHFFFAOYSA-N 2 0 334.428 -0.517 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)c1ccn(CC[NH+](C)C)n1)C(=O)N(C)C ZINC001158288170 831644157 /nfs/dbraw/zinc/64/41/57/831644157.db2.gz QSIKZEJAKYXLHS-ZDUSSCGKSA-N 2 0 338.456 -0.369 20 0 EBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCC2(CC1)COCC(=O)N2 ZINC001158325491 831646132 /nfs/dbraw/zinc/64/61/32/831646132.db2.gz BTNCCGJGUNRSKY-ZDUSSCGKSA-N 2 0 336.436 -0.632 20 0 EBADRP CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@H](CCCC[NH3+])[NH2+]C)C2 ZINC001158431701 831654409 /nfs/dbraw/zinc/65/44/09/831654409.db2.gz ROACSIMLQCTYMJ-NSHDSACASA-N 2 0 338.412 -0.486 20 0 EBADRP COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nn1 ZINC001158486583 831658240 /nfs/dbraw/zinc/65/82/40/831658240.db2.gz OSEANZBLEQLZPE-CABCVRRESA-N 2 0 349.435 -0.056 20 0 EBADRP Cn1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1=O ZINC001158486054 831658893 /nfs/dbraw/zinc/65/88/93/831658893.db2.gz DKUAMMHXANNMPL-CVEARBPZSA-N 2 0 348.447 -0.156 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCCC1 ZINC001158487195 831659699 /nfs/dbraw/zinc/65/96/99/831659699.db2.gz WOYRWDGTTWDPIR-HUUCEWRRSA-N 2 0 338.452 -0.432 20 0 EBADRP CC(C)(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158486894 831660198 /nfs/dbraw/zinc/66/01/98/831660198.db2.gz UIIJXSNBIGMASS-KGLIPLIRSA-N 2 0 340.468 -0.140 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC001158499134 831660825 /nfs/dbraw/zinc/66/08/25/831660825.db2.gz WXEVBLHDOXQYEX-WHOHXGKFSA-N 2 0 331.363 -0.017 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158533026 831662931 /nfs/dbraw/zinc/66/29/31/831662931.db2.gz GWBFFDBWNQYWJU-VWPFQQQWSA-N 2 0 338.452 -0.545 20 0 EBADRP O=C(NCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC1 ZINC001158509162 831663399 /nfs/dbraw/zinc/66/33/99/831663399.db2.gz ZTNGPFGIPFFNFX-LSDHHAIUSA-N 2 0 338.452 -0.528 20 0 EBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158545618 831664182 /nfs/dbraw/zinc/66/41/82/831664182.db2.gz HMKLYTVDLHQKHB-VWPFQQQWSA-N 2 0 338.452 -0.545 20 0 EBADRP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C34C[NH2+]C4)C[C@H]2CF)CC1 ZINC001158567702 831666954 /nfs/dbraw/zinc/66/69/54/831666954.db2.gz KHVRJZNUVVXQRV-GRYCIOLGSA-N 2 0 345.440 -0.702 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158579616 831667588 /nfs/dbraw/zinc/66/75/88/831667588.db2.gz VUNCJNXNCJQQKR-UMSGYPCISA-N 2 0 327.400 -0.080 20 0 EBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]([NH3+])COC(C)=O)CC2 ZINC001158890301 831693807 /nfs/dbraw/zinc/69/38/07/831693807.db2.gz CHJYQPYLVHMNHV-ZDUSSCGKSA-N 2 0 340.424 -0.920 20 0 EBADRP COC[C@@H]1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])Cc2cn(C)nc21 ZINC001159019419 831704044 /nfs/dbraw/zinc/70/40/44/831704044.db2.gz PRIFGRTWTLNQAV-RYUDHWBXSA-N 2 0 327.454 -0.489 20 0 EBADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C1 ZINC001159135737 831711606 /nfs/dbraw/zinc/71/16/06/831711606.db2.gz YGWYQBCLEDEFJJ-XCMOZONUSA-N 2 0 341.481 -0.501 20 0 EBADRP Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@@H]([NH3+])CCCC[NH3+])cn1 ZINC001159236951 831726381 /nfs/dbraw/zinc/72/63/81/831726381.db2.gz WADSEKRGOSQVFC-SOUVJXGZSA-N 2 0 348.451 -0.308 20 0 EBADRP Cc1ccc(N2CCO[C@H]3CN(C(=O)[C@H]([NH3+])CCC[NH3+])C[C@H]32)nn1 ZINC001159297256 831736433 /nfs/dbraw/zinc/73/64/33/831736433.db2.gz INYTUHHRJHODAB-MCIONIFRSA-N 2 0 334.424 -0.733 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159291862 831736817 /nfs/dbraw/zinc/73/68/17/831736817.db2.gz UJNIFYAODHTCPJ-INIZCTEOSA-N 3 0 335.496 -0.319 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCNS(=O)(=O)CC ZINC001159335328 831741518 /nfs/dbraw/zinc/74/15/18/831741518.db2.gz YIDXBZCSBPKPPU-AWEZNQCLSA-N 2 0 348.513 -0.104 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001159356380 831744763 /nfs/dbraw/zinc/74/47/63/831744763.db2.gz YEPADNBCVVSNLR-RYUDHWBXSA-N 2 0 327.429 -0.460 20 0 EBADRP Nc1ncn(C2=CC[NH2+]CC2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001159397728 831749246 /nfs/dbraw/zinc/74/92/46/831749246.db2.gz SQRIHLZKOPRCPV-CMPLNLGQSA-N 2 0 338.843 -0.176 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159403206 831749570 /nfs/dbraw/zinc/74/95/70/831749570.db2.gz NIKGLOGMRQGLFJ-ZQDZILKHSA-N 3 0 348.451 -0.500 20 0 EBADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159664140 831769889 /nfs/dbraw/zinc/76/98/89/831769889.db2.gz CMVUQVGKAMOOLI-NXOAAHMSSA-N 2 0 346.431 -0.536 20 0 EBADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159664142 831770062 /nfs/dbraw/zinc/77/00/62/831770062.db2.gz CMVUQVGKAMOOLI-VQHPVUNQSA-N 2 0 346.431 -0.536 20 0 EBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159665473 831770631 /nfs/dbraw/zinc/77/06/31/831770631.db2.gz JGIKDLZZMTTZGT-YLFCFFPRSA-N 2 0 346.431 -0.394 20 0 EBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001159837198 831787101 /nfs/dbraw/zinc/78/71/01/831787101.db2.gz BPSZQWWSVWNKQD-GFCCVEGCSA-N 2 0 327.429 -0.745 20 0 EBADRP C[NH+](C)C1(C(=O)NCCC[NH2+]CC(=O)N2CCOCC2)CCC1 ZINC001159854875 831789296 /nfs/dbraw/zinc/78/92/96/831789296.db2.gz VJBGTWVEAAKXMS-UHFFFAOYSA-N 2 0 326.441 -0.575 20 0 EBADRP O=C(NCCC[NH2+][C@H]1CCNC1=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001159868824 831791231 /nfs/dbraw/zinc/79/12/31/831791231.db2.gz MNPJBYLRMVPFSD-LSDHHAIUSA-N 2 0 338.452 -0.386 20 0 EBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001159868760 831791296 /nfs/dbraw/zinc/79/12/96/831791296.db2.gz LCSNTALVLKIJGD-JKSUJKDBSA-N 2 0 343.468 -0.267 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1)C1CC1 ZINC001159914208 831796957 /nfs/dbraw/zinc/79/69/57/831796957.db2.gz BLXHSEOYNNOQTG-AWEZNQCLSA-N 2 0 339.440 -0.589 20 0 EBADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]([NH3+])CC[S@](C)=O ZINC001159929348 831798430 /nfs/dbraw/zinc/79/84/30/831798430.db2.gz CUCUPDJNEWCTGN-DKIAMSCKSA-N 2 0 330.498 -0.681 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159932430 831799057 /nfs/dbraw/zinc/79/90/57/831799057.db2.gz QXQSEZQBTRBHMC-LSDHHAIUSA-N 2 0 331.457 -0.554 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1)C1CC1 ZINC001159933050 831799107 /nfs/dbraw/zinc/79/91/07/831799107.db2.gz YNSIXNOGOBCSAQ-XJKSGUPXSA-N 2 0 340.468 -0.425 20 0 EBADRP CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(C(=O)C[NH2+]CCC[NH3+])C2)C1 ZINC001160050591 831809903 /nfs/dbraw/zinc/80/99/03/831809903.db2.gz XYXAFPUITUIKHD-CZUORRHYSA-N 2 0 341.456 -0.654 20 0 EBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCc2onc(Cn3cccn3)c2C1 ZINC001160129309 831817554 /nfs/dbraw/zinc/81/75/54/831817554.db2.gz UWGIROONAYGAEJ-ZDUSSCGKSA-N 2 0 342.403 -0.387 20 0 EBADRP CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)C[NH2+]CCC[NH3+])[C@@H]2C1 ZINC001160295416 831835080 /nfs/dbraw/zinc/83/50/80/831835080.db2.gz MNCWFTNPZKSPFA-BFHYXJOUSA-N 2 0 326.441 -0.545 20 0 EBADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC001160390476 831842555 /nfs/dbraw/zinc/84/25/55/831842555.db2.gz BMBCPDKYLMLQPF-ZIAGYGMSSA-N 2 0 338.452 -0.888 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001160404248 831845040 /nfs/dbraw/zinc/84/50/40/831845040.db2.gz LQQMHCWCNICTGD-IGQOVBAYSA-N 2 0 329.466 -0.342 20 0 EBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001160463920 831853947 /nfs/dbraw/zinc/85/39/47/831853947.db2.gz QKVQBTLEFFHNKN-MJBXVCDLSA-N 2 0 326.441 -0.712 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCN(CCc2ccccn2)CC1 ZINC001160483159 831855201 /nfs/dbraw/zinc/85/52/01/831855201.db2.gz PHLDHYSURFUUDO-HNNXBMFYSA-N 2 0 337.493 -0.213 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)c2ccc3c(c2)[C@H]2C[NH2+]C[C@@H]2NC3=O)CCO1 ZINC001160644276 831875063 /nfs/dbraw/zinc/87/50/63/831875063.db2.gz BHJZNLUNAGORGA-GLQYFDAESA-N 2 0 330.388 -0.715 20 0 EBADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@]23C(=O)Nc2ccccc23)C[C@H]1O ZINC001160652417 831876782 /nfs/dbraw/zinc/87/67/82/831876782.db2.gz DHZCVSYREYXFII-LGIULTMTSA-N 2 0 330.388 -0.984 20 0 EBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N(C)C[C@H]2CCC[NH2+]C2)COC1(C)C ZINC001160698549 831878969 /nfs/dbraw/zinc/87/89/69/831878969.db2.gz LZVWOQXRIHTWLG-AVGNSLFASA-N 2 0 326.441 -0.245 20 0 EBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001160703324 831879911 /nfs/dbraw/zinc/87/99/11/831879911.db2.gz AZOSBPAGFJCRDY-JSGCOSHPSA-N 2 0 346.431 -0.521 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCc2ccc(=O)[nH]c2CC1 ZINC001160756924 831882738 /nfs/dbraw/zinc/88/27/38/831882738.db2.gz WOMBVQFEBPKRIO-AWEZNQCLSA-N 2 0 333.436 -0.535 20 0 EBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160780885 831885424 /nfs/dbraw/zinc/88/54/24/831885424.db2.gz YXYFHKNRDRQJCH-GJYPPUQNSA-N 3 0 326.444 -0.205 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3C[NH2+]C[C@H](F)C3)C[C@H]1C2 ZINC001160791875 831887563 /nfs/dbraw/zinc/88/75/63/831887563.db2.gz GSGRDKVDHILIHM-UFZBQXAWSA-N 2 0 339.411 -0.209 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3C[NH2+]CCC3=O)C[C@H]1C2 ZINC001160795289 831888691 /nfs/dbraw/zinc/88/86/91/831888691.db2.gz WADFMOPJMXZCAR-XWNMQXIPSA-N 2 0 335.404 -0.978 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)C12CCC[NH+](CCC1)C2)C(=O)NC(N)=O ZINC001160833846 831891900 /nfs/dbraw/zinc/89/19/00/831891900.db2.gz AMTPIFFXDZBUNN-LBPRGKRZSA-N 2 0 339.440 -0.458 20 0 EBADRP COC(=O)c1cn2c(n1)CN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)CC2 ZINC001160901260 831904890 /nfs/dbraw/zinc/90/48/90/831904890.db2.gz BNVAUBBNNYCVAD-BDJLRTHQSA-N 2 0 333.392 -0.789 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCOC[C@H]1c1cccnc1 ZINC001160952689 831909950 /nfs/dbraw/zinc/90/99/50/831909950.db2.gz YVMBKKWYRDCXPB-CVEARBPZSA-N 2 0 333.436 -0.268 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161040778 831916177 /nfs/dbraw/zinc/91/61/77/831916177.db2.gz CKEBCLKLCDUVLY-CQSZACIVSA-N 2 0 328.457 -0.281 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161033414 831916467 /nfs/dbraw/zinc/91/64/67/831916467.db2.gz QCUAWUORQBXPDY-QWHCGFSZSA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC001161053745 831918643 /nfs/dbraw/zinc/91/86/43/831918643.db2.gz YJGXZZNSMBPKDT-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C[C@@H]21 ZINC001161085069 831921364 /nfs/dbraw/zinc/92/13/64/831921364.db2.gz MKZVGBJUZKFLFD-IHRRRGAJSA-N 2 0 340.468 -0.202 20 0 EBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001161158505 831933604 /nfs/dbraw/zinc/93/36/04/831933604.db2.gz WBCAYYZTYHPMPO-STQMWFEESA-N 2 0 344.456 -0.395 20 0 EBADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@@H]2C[NH2+]C[C@@]23C(=O)Nc2ccccc23)C1 ZINC001161239882 831940984 /nfs/dbraw/zinc/94/09/84/831940984.db2.gz SSOFUUNCZHROHQ-VUCTXSBTSA-N 2 0 332.379 -0.005 20 0 EBADRP CCS(=O)(=O)NC1CCN(C(=O)[C@H](CCCC[NH3+])[NH2+]C)CC1 ZINC001161259945 831941816 /nfs/dbraw/zinc/94/18/16/831941816.db2.gz AYAVPZHWYUJSOW-ZDUSSCGKSA-N 2 0 334.486 -0.366 20 0 EBADRP O=C([C@@H]1NC(=O)CC12C[NH2+]C2)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161271267 831943974 /nfs/dbraw/zinc/94/39/74/831943974.db2.gz ZXMLAXOIDCBPHY-HOCLYGCPSA-N 2 0 343.431 -0.360 20 0 EBADRP COc1cc(C)nc(N(C(=O)[C@@H]2C[C@H]([NH3+])CN2)C2CC[NH2+]CC2)n1 ZINC001161308435 831946222 /nfs/dbraw/zinc/94/62/22/831946222.db2.gz CNVNNMSORWFVOE-AAEUAGOBSA-N 2 0 334.424 -0.432 20 0 EBADRP COC(=O)[C@@H]1C[C@@H](C(=O)N(CC[NH+](C)C)[C@@H]2CCC[NH2+]C2)CCN1 ZINC001161444342 831957889 /nfs/dbraw/zinc/95/78/89/831957889.db2.gz GIYOYQGWVJDCMT-ZNMIVQPWSA-N 2 0 340.468 -0.330 20 0 EBADRP CN(CC(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001161447457 831958240 /nfs/dbraw/zinc/95/82/40/831958240.db2.gz XOFDPCALUZWROK-JKSUJKDBSA-N 3 0 325.501 -0.188 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[NH2+]C[C@@H]3CCO[C@H]31)CC2 ZINC001161478148 831963261 /nfs/dbraw/zinc/96/32/61/831963261.db2.gz HFCYVQPUUKBUAB-JQIDMEAISA-N 2 0 337.420 -0.636 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001161481440 831964310 /nfs/dbraw/zinc/96/43/10/831964310.db2.gz SQFYXJWBPUSZFW-ZENOOKHLSA-N 3 0 326.441 -0.414 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])C1CCC(O)CC1)CC2 ZINC001161481953 831964388 /nfs/dbraw/zinc/96/43/88/831964388.db2.gz UPXGAVNBKDYVCR-BLLIMNRGSA-N 2 0 339.436 -0.382 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@](C)(C[NH3+])C1 ZINC001161487144 831964961 /nfs/dbraw/zinc/96/49/61/831964961.db2.gz DOCNHOAKQRWATO-BLLLJJGKSA-N 2 0 328.457 -0.168 20 0 EBADRP CO[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CN(c2ccccc2)C3)C[C@@H]1[NH3+] ZINC001161493774 831966062 /nfs/dbraw/zinc/96/60/62/831966062.db2.gz RHKOXPNIDQWYAK-SCNOPHJPSA-N 2 0 330.432 -0.103 20 0 EBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC([N@H+](C)[C@H]2CCOC2)C1 ZINC001161499526 831966848 /nfs/dbraw/zinc/96/68/48/831966848.db2.gz PFRRNDPQJOFFQV-JSGCOSHPSA-N 2 0 326.441 -0.593 20 0 EBADRP COC(=O)c1cnc2c(c1)CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC2 ZINC001161573268 831973842 /nfs/dbraw/zinc/97/38/42/831973842.db2.gz BNXKKMLJIONEGT-LBPRGKRZSA-N 2 0 338.433 -0.228 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001161601647 831977348 /nfs/dbraw/zinc/97/73/48/831977348.db2.gz INVLTTWKDBLPMV-SOUVJXGZSA-N 2 0 330.448 -0.025 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161795589 831992627 /nfs/dbraw/zinc/99/26/27/831992627.db2.gz KSXQZZYDHFTKSB-UHFFFAOYSA-N 2 0 340.468 -0.137 20 0 EBADRP O=C(NCCC[NH2+][C@@H]1CCC(=O)NC1=O)c1ccn2c[nH+]cc2c1 ZINC001161863312 831997657 /nfs/dbraw/zinc/99/76/57/831997657.db2.gz IGQZTIKBKZBPQY-CYBMUJFWSA-N 2 0 329.360 -0.151 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1(COC)CC[NH+](CC(=O)NC)CC1 ZINC001162585630 832054880 /nfs/dbraw/zinc/05/48/80/832054880.db2.gz PBVJFSJMKMHKHN-UHFFFAOYSA-N 2 0 342.484 -0.081 20 0 EBADRP CS(=O)(=O)c1nc2c(c(N[C@@H]3C=C[C@@H]4C[NH2+]C[C@@H]34)n1)CC[NH2+]CC2 ZINC001162790030 832063080 /nfs/dbraw/zinc/06/30/80/832063080.db2.gz PTQHSUQUQWGQOB-RAIGVLPGSA-N 2 0 349.460 -0.246 20 0 EBADRP Cn1ccnc1C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872318 832068366 /nfs/dbraw/zinc/06/83/66/832068366.db2.gz NWLYPFOKXDONLA-XOYHFGRZSA-N 2 0 333.436 -0.121 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)c1nncn1C ZINC001162872600 832069810 /nfs/dbraw/zinc/06/98/10/832069810.db2.gz XQLWSUWGPQQLLH-ZBUZPQQSSA-N 2 0 348.451 -0.165 20 0 EBADRP C[C@@H]1CN(c2ccc(NCc3nnc4n3CCC[NH2+]C4)nn2)CC[NH2+]1 ZINC001163011982 832075250 /nfs/dbraw/zinc/07/52/50/832075250.db2.gz SVRHSRKGDZPNAZ-GFCCVEGCSA-N 2 0 343.439 -0.028 20 0 EBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ccc([C@H]3CC4(C[NH2+]C4)C(=O)N3)cc2)N1 ZINC001163249944 832093756 /nfs/dbraw/zinc/09/37/56/832093756.db2.gz LMZUIEHTACMFBP-GLJUWKHASA-N 2 0 341.415 -0.173 20 0 EBADRP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001212293275 837598950 /nfs/dbraw/zinc/59/89/50/837598950.db2.gz BFJHYXMUZHCNGC-ARFHVFGLSA-N 2 0 341.452 -0.848 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@]1(C)CO ZINC001350199482 832130190 /nfs/dbraw/zinc/13/01/90/832130190.db2.gz FPVPDTUALXGDNL-RHSMWYFYSA-N 2 0 342.484 -0.585 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001163850963 832145789 /nfs/dbraw/zinc/14/57/89/832145789.db2.gz DEGQXLOGXUIDEV-HNNXBMFYSA-N 2 0 345.484 -0.019 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001350333639 832155416 /nfs/dbraw/zinc/15/54/16/832155416.db2.gz NUFZIQDZAWGKQJ-CYBMUJFWSA-N 2 0 340.468 -0.201 20 0 EBADRP O=C(NCCn1ccnc1)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001350639063 832181373 /nfs/dbraw/zinc/18/13/73/832181373.db2.gz IXQSDUPZASDNLD-CQSZACIVSA-N 2 0 335.408 -0.943 20 0 EBADRP CN(C(=O)COCC[NH+](C)C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001350657120 832182546 /nfs/dbraw/zinc/18/25/46/832182546.db2.gz BFHHSDXJCVPNQB-CABCVRRESA-N 2 0 340.468 -0.282 20 0 EBADRP CCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001164536026 832195016 /nfs/dbraw/zinc/19/50/16/832195016.db2.gz KSLYBULCFGZTLT-AWEZNQCLSA-N 2 0 328.457 -0.282 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCS(C)(=O)=O)C1 ZINC001164538673 832196201 /nfs/dbraw/zinc/19/62/01/832196201.db2.gz LKBLPKZGUIMFHH-ZDUSSCGKSA-N 2 0 335.470 -0.764 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001164574184 832198484 /nfs/dbraw/zinc/19/84/84/832198484.db2.gz AMYZLQAAQCRVPL-STQMWFEESA-N 2 0 341.456 -0.342 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001164574507 832198809 /nfs/dbraw/zinc/19/88/09/832198809.db2.gz OKLFJTFFRAEPPP-HRCADAONSA-N 2 0 345.484 -0.164 20 0 EBADRP c1nn(-c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)c2c1C[NH2+]CC2 ZINC001165220366 832207541 /nfs/dbraw/zinc/20/75/41/832207541.db2.gz MTOVFJCVFNXPHY-UHFFFAOYSA-N 2 0 327.392 -0.252 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165254680 832208895 /nfs/dbraw/zinc/20/88/95/832208895.db2.gz STWCUNUYPWNJAI-UHFFFAOYSA-N 2 0 348.513 -0.247 20 0 EBADRP C[NH+](C)Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001165246976 832208956 /nfs/dbraw/zinc/20/89/56/832208956.db2.gz XQGYJWXBGVYEAE-GFCCVEGCSA-N 2 0 336.392 -0.144 20 0 EBADRP COC[C@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165261682 832209539 /nfs/dbraw/zinc/20/95/39/832209539.db2.gz BWAKSSMNUHSCCN-LSDHHAIUSA-N 2 0 345.484 -0.164 20 0 EBADRP COC(=O)[C@H]1C[NH2+]CCN1c1ccc(OCC2CC[NH2+]CC2)nn1 ZINC001165442282 832220513 /nfs/dbraw/zinc/22/05/13/832220513.db2.gz IPDRQHPNVLHIBA-CYBMUJFWSA-N 2 0 335.408 -0.194 20 0 EBADRP COC[C@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165776637 832237295 /nfs/dbraw/zinc/23/72/95/832237295.db2.gz MDTAPJITMDLYEX-HOCLYGCPSA-N 2 0 345.484 -0.164 20 0 EBADRP C[NH+]1CCC(C(=O)NCCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001165776365 832237487 /nfs/dbraw/zinc/23/74/87/832237487.db2.gz HHNYIEDMALETLG-ZDUSSCGKSA-N 2 0 331.482 -0.141 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165789202 832237937 /nfs/dbraw/zinc/23/79/37/832237937.db2.gz ZCTKDUVADVRBMN-UHFFFAOYSA-N 2 0 329.445 -0.340 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166009878 832245928 /nfs/dbraw/zinc/24/59/28/832245928.db2.gz ARLYTVSHPCFWNV-VXGBXAGGSA-N 2 0 329.445 -0.487 20 0 EBADRP CC[C@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)[NH+](CC)CC ZINC001166449054 832261533 /nfs/dbraw/zinc/26/15/33/832261533.db2.gz ZWFXFPCWZCUWKW-CYBMUJFWSA-N 2 0 336.502 -0.248 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)NC1CCOCC1 ZINC001166707720 832280886 /nfs/dbraw/zinc/28/08/86/832280886.db2.gz IHWAEQRFHWBRTB-DZGCQCFKSA-N 2 0 340.468 -0.425 20 0 EBADRP N=c1nc([C@H]2CCC[NH2+]2)ccn1-c1cncc(N2CC[NH2+]CC2)n1 ZINC001166702498 832281792 /nfs/dbraw/zinc/28/17/92/832281792.db2.gz YVSUKWOVQXBBEX-GFCCVEGCSA-N 2 0 326.408 -0.024 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCC(F)(F)F ZINC001166708179 832282608 /nfs/dbraw/zinc/28/26/08/832282608.db2.gz NPYLIIFBSORZKU-QWRGUYRKSA-N 2 0 338.374 -0.042 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)Nc1cnccn1 ZINC001166708616 832282686 /nfs/dbraw/zinc/28/26/86/832282686.db2.gz UUTWQCJZHMWSNU-STQMWFEESA-N 2 0 334.424 -0.291 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C)C(=O)NC(N)=O ZINC001166750278 832286357 /nfs/dbraw/zinc/28/63/57/832286357.db2.gz BKTLXTRIVFRPKF-NSHDSACASA-N 2 0 329.445 -0.356 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)C[N@@H+]1CCC(C)(C)C1)C(=O)NC(N)=O ZINC001166744346 832286379 /nfs/dbraw/zinc/28/63/79/832286379.db2.gz RUMUYMAZJKUVEB-LLVKDONJSA-N 2 0 327.429 -0.602 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001166759516 832287224 /nfs/dbraw/zinc/28/72/24/832287224.db2.gz VQVQRWAXCDCAFW-UHFFFAOYSA-N 2 0 342.484 -0.033 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001166858327 832294452 /nfs/dbraw/zinc/29/44/52/832294452.db2.gz PQYJYKUHUGLBOC-LBPRGKRZSA-N 2 0 329.445 -0.342 20 0 EBADRP COC(=O)C1(Nc2ccc(N3CC[NH2+][C@H](C)C3)nn2)CC[NH2+]CC1 ZINC001166922480 832298328 /nfs/dbraw/zinc/29/83/28/832298328.db2.gz AAWXJFQQAXIEDP-GFCCVEGCSA-N 2 0 334.424 -0.018 20 0 EBADRP C[C@@H](COCC(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O)[NH+]1CCCC1 ZINC001166924336 832298640 /nfs/dbraw/zinc/29/86/40/832298640.db2.gz KEJZEOREVPOBGO-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[C@@H]([NH2+]CCCNC(=O)COC[C@@H](C)[NH+]1CCCC1)C(N)=O ZINC001166930225 832299197 /nfs/dbraw/zinc/29/91/97/832299197.db2.gz AMBVMOHSWOQDPK-ZIAGYGMSSA-N 2 0 328.457 -0.153 20 0 EBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ccc(OCC2CC[NH2+]CC2)nn1 ZINC001166968451 832304154 /nfs/dbraw/zinc/30/41/54/832304154.db2.gz NZUVDNSYWQOKTE-OLZOCXBDSA-N 2 0 335.408 -0.066 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166972298 832304811 /nfs/dbraw/zinc/30/48/11/832304811.db2.gz VWKAZOUEXZBAPR-HNNXBMFYSA-N 2 0 345.484 -0.162 20 0 EBADRP C[NH+](C)CCC(=O)NCCC1(C[NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001166987846 832305245 /nfs/dbraw/zinc/30/52/45/832305245.db2.gz XELSOJCBVPVMNJ-UHFFFAOYSA-N 2 0 339.440 -0.634 20 0 EBADRP Cc1nccc(NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC001352191449 832312541 /nfs/dbraw/zinc/31/25/41/832312541.db2.gz TTWFFCIRKPHUKF-ZIAGYGMSSA-N 2 0 348.451 -0.079 20 0 EBADRP C[C@@H]([NH2+]CC1(CCNC(=O)COC2CC[NH+](C)CC2)CC1)C(N)=O ZINC001167564088 832358418 /nfs/dbraw/zinc/35/84/18/832358418.db2.gz UYEYHJCPZDBGEX-CYBMUJFWSA-N 2 0 340.468 -0.153 20 0 EBADRP C[C@H](C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+]1CCCCCC1 ZINC001167608578 832360640 /nfs/dbraw/zinc/36/06/40/832360640.db2.gz GUSKPODEGJGYDN-CYBMUJFWSA-N 2 0 338.456 -0.031 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1)C(=O)NC(N)=O ZINC001167620358 832360653 /nfs/dbraw/zinc/36/06/53/832360653.db2.gz RSPANYMHLIWLGK-STQMWFEESA-N 2 0 341.456 -0.070 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+]CC(=O)NC(=O)NC)CC1 ZINC001167639934 832361228 /nfs/dbraw/zinc/36/12/28/832361228.db2.gz IHSUOPPVLGYTJC-UHFFFAOYSA-N 2 0 341.456 -0.340 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC1(C[NH2+]CCn2cncn2)CC1 ZINC001167736897 832368763 /nfs/dbraw/zinc/36/87/63/832368763.db2.gz LFVMFEDZCITGJB-UHFFFAOYSA-N 2 0 338.456 -0.268 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168030962 832388307 /nfs/dbraw/zinc/38/83/07/832388307.db2.gz VWZIKTJDNXTHQE-NEPJUHHUSA-N 2 0 325.413 -0.706 20 0 EBADRP CCn1ncnc1C[NH2+]CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001168043289 832389684 /nfs/dbraw/zinc/38/96/84/832389684.db2.gz IDMXNQMNQGRYOM-UHFFFAOYSA-N 2 0 348.455 -0.034 20 0 EBADRP CCn1nncc1C[NH2+]CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001168044335 832390280 /nfs/dbraw/zinc/39/02/80/832390280.db2.gz ROTNDIDIVCWZFQ-UHFFFAOYSA-N 2 0 348.455 -0.034 20 0 EBADRP COC[C@H](O)C[NH2+]CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001168051656 832391043 /nfs/dbraw/zinc/39/10/43/832391043.db2.gz GKMSRJPUPKAZHB-CQSZACIVSA-N 2 0 327.429 -0.839 20 0 EBADRP C[C@@H]([NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)C(=O)NC(N)=O ZINC001168146333 832398820 /nfs/dbraw/zinc/39/88/20/832398820.db2.gz FDYMKLAFYHJCDA-VXGBXAGGSA-N 2 0 339.440 -0.602 20 0 EBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC001353335446 832422950 /nfs/dbraw/zinc/42/29/50/832422950.db2.gz NEZXABVMOQTHKN-RYUDHWBXSA-N 2 0 332.395 -0.243 20 0 EBADRP [NH3+]CCCCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001353487757 832430570 /nfs/dbraw/zinc/43/05/70/832430570.db2.gz GFNBSAIUHUQSTG-OAHLLOKOSA-N 2 0 327.473 -0.179 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]C[C@H](O)CO[C@H](C)COC ZINC001168754806 832434043 /nfs/dbraw/zinc/43/40/43/832434043.db2.gz CBTBCPIAXFBCTC-CABCVRRESA-N 2 0 333.473 -0.164 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]CC(=O)NC1CCOCC1 ZINC001168755708 832434193 /nfs/dbraw/zinc/43/41/93/832434193.db2.gz QKDJWACOXHVDSG-UHFFFAOYSA-N 2 0 328.457 -0.281 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]C[C@@H](O)CO[C@H](C)COC ZINC001168754809 832434592 /nfs/dbraw/zinc/43/45/92/832434592.db2.gz CBTBCPIAXFBCTC-HUUCEWRRSA-N 2 0 333.473 -0.164 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001168755764 832434768 /nfs/dbraw/zinc/43/47/68/832434768.db2.gz RSTIRQSHHKDATC-CQSZACIVSA-N 2 0 328.457 -0.281 20 0 EBADRP CC1CC[NH+](CC(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O)CC1 ZINC001169126614 832450153 /nfs/dbraw/zinc/45/01/53/832450153.db2.gz AZAQIVKSWGWJQP-UHFFFAOYSA-N 2 0 348.513 -0.294 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)NCCC[NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001169941374 832483335 /nfs/dbraw/zinc/48/33/35/832483335.db2.gz PWWMGOBMFCLLGJ-UHFFFAOYSA-N 2 0 338.456 -0.175 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001170222015 832493320 /nfs/dbraw/zinc/49/33/20/832493320.db2.gz ICSJUKQINXTPCP-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001170233455 832493843 /nfs/dbraw/zinc/49/38/43/832493843.db2.gz OODCSWHANPODOB-GFCCVEGCSA-N 2 0 341.456 -0.199 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001171205060 832550449 /nfs/dbraw/zinc/55/04/49/832550449.db2.gz KSRLMSNGJHYNRB-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP Cc1nc(C)n(CC[NH2+]CCCNC(=O)COCC[NH+](C)C)n1 ZINC001171205065 832550522 /nfs/dbraw/zinc/55/05/22/832550522.db2.gz LAPKKMLIKCJEGN-UHFFFAOYSA-N 2 0 326.445 -0.431 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001171215878 832551737 /nfs/dbraw/zinc/55/17/37/832551737.db2.gz FDEFHESPAWZMAM-CQSZACIVSA-N 2 0 340.468 -0.281 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171217920 832552307 /nfs/dbraw/zinc/55/23/07/832552307.db2.gz PLURQFOEPAVJQW-CHWSQXEVSA-N 2 0 341.456 -0.342 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001171217964 832552331 /nfs/dbraw/zinc/55/23/31/832552331.db2.gz PYQHIOCHOCWXSA-GJZGRUSLSA-N 2 0 340.468 -0.281 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171219201 832552343 /nfs/dbraw/zinc/55/23/43/832552343.db2.gz VKGIATFAPNDGME-AWEZNQCLSA-N 2 0 346.472 -0.798 20 0 EBADRP O=C(NCCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C12CC[NH+](CC1)C2 ZINC001171293694 832555327 /nfs/dbraw/zinc/55/53/27/832555327.db2.gz KTXJSDDVALRWSH-ZDUSSCGKSA-N 2 0 329.466 -0.387 20 0 EBADRP CN(CC[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2)S(C)(=O)=O ZINC001171311157 832555507 /nfs/dbraw/zinc/55/55/07/832555507.db2.gz NXMTYZHLZMDZNX-UHFFFAOYSA-N 2 0 332.470 -0.931 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2)NC1CCOCC1 ZINC001171303739 832555842 /nfs/dbraw/zinc/55/58/42/832555842.db2.gz YVRNAFBLNIKMCM-UHFFFAOYSA-N 2 0 338.452 -0.527 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171578906 832565911 /nfs/dbraw/zinc/56/59/11/832565911.db2.gz LQEIYWSYKMCAPT-UHFFFAOYSA-N 2 0 330.473 -0.033 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001171726249 832574207 /nfs/dbraw/zinc/57/42/07/832574207.db2.gz YVLGOPGOCGKTRC-HNNXBMFYSA-N 2 0 342.484 -0.203 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]C[C@@H](O)CO[C@@H](C)COC ZINC001171762364 832574908 /nfs/dbraw/zinc/57/49/08/832574908.db2.gz AYVSMOZLELCDOE-LSDHHAIUSA-N 2 0 333.473 -0.164 20 0 EBADRP CC[N@@H+]1CC[C@@H](n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001173359350 832584121 /nfs/dbraw/zinc/58/41/21/832584121.db2.gz TXDAEHMFYJUCJZ-SNPRPXQTSA-N 2 0 348.451 -0.504 20 0 EBADRP C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174928599 832605187 /nfs/dbraw/zinc/60/51/87/832605187.db2.gz LDMOEIIBTJIEGC-LBPRGKRZSA-N 2 0 341.456 -0.212 20 0 EBADRP C[NH+]1CCC(NC(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC1 ZINC001356429464 832628860 /nfs/dbraw/zinc/62/88/60/832628860.db2.gz WLTLSWSJHGSVHR-CQSZACIVSA-N 2 0 338.452 -0.447 20 0 EBADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC001356480158 832632689 /nfs/dbraw/zinc/63/26/89/832632689.db2.gz VLLNEQWNLPUSPF-UHFFFAOYSA-N 2 0 339.484 -0.674 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176056319 832654519 /nfs/dbraw/zinc/65/45/19/832654519.db2.gz FZZDGEYHKPDDCS-CYBMUJFWSA-N 2 0 341.456 -0.484 20 0 EBADRP O=C(C[NH+]1CCCC1)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001176103301 832657303 /nfs/dbraw/zinc/65/73/03/832657303.db2.gz VYKBVFZMJUQQNZ-UHFFFAOYSA-N 2 0 332.470 -0.786 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(=O)NC1CC1 ZINC001176096680 832657500 /nfs/dbraw/zinc/65/75/00/832657500.db2.gz WQLNSJINOXQMJC-NEPJUHHUSA-N 2 0 339.440 -0.589 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176118737 832658094 /nfs/dbraw/zinc/65/80/94/832658094.db2.gz SGWFMCDTYSVHQO-UHFFFAOYSA-N 2 0 341.456 -0.196 20 0 EBADRP CS(=O)(=O)N1CC[C@H](C[NH2+]CCCNC(=O)C[NH+]2CCCC2)C1 ZINC001176110534 832658098 /nfs/dbraw/zinc/65/80/98/832658098.db2.gz VSXWKONJSAQHGN-CQSZACIVSA-N 2 0 346.497 -0.540 20 0 EBADRP C[C@@H](CCCC[NH2+]CC(=O)N(C)C)NC(=O)COCC[NH+](C)C ZINC001176156150 832660069 /nfs/dbraw/zinc/66/00/69/832660069.db2.gz GXNIPTDQWUKCHG-AWEZNQCLSA-N 2 0 330.473 -0.083 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001176161884 832660210 /nfs/dbraw/zinc/66/02/10/832660210.db2.gz RZKGFUJXCCLGKU-ZIAGYGMSSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1)c1nncn1C ZINC001176162548 832660754 /nfs/dbraw/zinc/66/07/54/832660754.db2.gz XCKVHXONMOSCPH-UONOGXRCSA-N 2 0 338.456 -0.060 20 0 EBADRP C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176164703 832661263 /nfs/dbraw/zinc/66/12/63/832661263.db2.gz DLYDMTJAXHQHPQ-STQMWFEESA-N 2 0 341.456 -0.212 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CCC[NH+]1CCCCC1 ZINC001176318425 832666340 /nfs/dbraw/zinc/66/63/40/832666340.db2.gz NXGYMJDSWUFMNK-UHFFFAOYSA-N 2 0 341.456 -0.196 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)CCCC[NH2+]CC(N)=O ZINC001176600772 832681771 /nfs/dbraw/zinc/68/17/71/832681771.db2.gz PMMANRMGQYMQCX-KGLIPLIRSA-N 2 0 328.457 -0.295 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CC[NH+]1CCCCC1 ZINC001176930811 832713029 /nfs/dbraw/zinc/71/30/29/832713029.db2.gz QARBHVIYFFFPMY-UHFFFAOYSA-N 2 0 327.429 -0.586 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)CC[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001176936593 832713775 /nfs/dbraw/zinc/71/37/75/832713775.db2.gz BKCRSTGDQAJHBB-LBPRGKRZSA-N 2 0 327.429 -0.458 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176980652 832723712 /nfs/dbraw/zinc/72/37/12/832723712.db2.gz NPPNCDLBSRYMGV-GFCCVEGCSA-N 2 0 329.445 -0.343 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001176986282 832725844 /nfs/dbraw/zinc/72/58/44/832725844.db2.gz JNVYNFUUDXEBMO-HOTGVXAUSA-N 2 0 345.484 -0.021 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001176986323 832726097 /nfs/dbraw/zinc/72/60/97/832726097.db2.gz KVATTWZDYGKEIM-UHFFFAOYSA-N 2 0 341.456 -0.247 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O ZINC001176986542 832726242 /nfs/dbraw/zinc/72/62/42/832726242.db2.gz QPHVGXPVNQCIRO-CQSZACIVSA-N 2 0 348.513 -0.152 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001176992785 832728477 /nfs/dbraw/zinc/72/84/77/832728477.db2.gz ZYUALKDEBPWLTF-STQMWFEESA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCS(C)(=O)=O)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001178716251 832903828 /nfs/dbraw/zinc/90/38/28/832903828.db2.gz NCQSDZJFKRBSSA-QEJZJMRPSA-N 2 0 343.493 -0.048 20 0 EBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001178716744 832904454 /nfs/dbraw/zinc/90/44/54/832904454.db2.gz VYAYBPAOCIVYDW-TUUVXOQKSA-N 2 0 325.453 -0.086 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001179069651 832948945 /nfs/dbraw/zinc/94/89/45/832948945.db2.gz MAZDATPEYMEJDM-GWCFXTLKSA-N 2 0 344.375 -0.278 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179438946 832978420 /nfs/dbraw/zinc/97/84/20/832978420.db2.gz BNBDFMYHAAOPKM-KBPBESRZSA-N 2 0 348.513 -0.154 20 0 EBADRP C[C@H]1[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)CCN1C(=O)CC[NH+](C)C ZINC001179482474 832982640 /nfs/dbraw/zinc/98/26/40/832982640.db2.gz UZMVNWJTHDDTFA-MJBXVCDLSA-N 2 0 331.482 -0.048 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)NC[C@H]2CCOC2)CCN1C(=O)CC[NH+](C)C ZINC001179486033 832982690 /nfs/dbraw/zinc/98/26/90/832982690.db2.gz FKCKANNYUBUURW-ZNMIVQPWSA-N 2 0 340.468 -0.330 20 0 EBADRP CO[C@@H]1CN(CC(=O)NC(C)C)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436861 837683044 /nfs/dbraw/zinc/68/30/44/837683044.db2.gz NLTCKCBNNGUKDJ-FMKPAKJESA-N 2 0 342.484 -0.087 20 0 EBADRP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001212460741 837690356 /nfs/dbraw/zinc/69/03/56/837690356.db2.gz LMEXZOZMPSOAQK-ZIAGYGMSSA-N 2 0 329.441 -0.848 20 0 EBADRP CO[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001212459086 837691868 /nfs/dbraw/zinc/69/18/68/837691868.db2.gz WDHWOSQHTRCLCY-RRFJBIMHSA-N 2 0 343.468 -0.459 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3cnccn3)C2)C1 ZINC001187106115 833901759 /nfs/dbraw/zinc/90/17/59/833901759.db2.gz BNPZUKWGDQJMDG-ZIAGYGMSSA-N 2 0 346.435 -0.053 20 0 EBADRP CCN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115529 833902582 /nfs/dbraw/zinc/90/25/82/833902582.db2.gz KWKZVHZDGQRZIF-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001187121802 833902746 /nfs/dbraw/zinc/90/27/46/833902746.db2.gz LTYPIFPHKZYUEY-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001187135170 833904792 /nfs/dbraw/zinc/90/47/92/833904792.db2.gz GGWJLTFQOXJYPH-SNVBAGLBSA-N 2 0 334.380 -0.853 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187817878 833970228 /nfs/dbraw/zinc/97/02/28/833970228.db2.gz KTELPRBKBWMUGC-QWHCGFSZSA-N 2 0 339.440 -0.636 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187825296 833971884 /nfs/dbraw/zinc/97/18/84/833971884.db2.gz JSNWRRCYKFNZJH-UONOGXRCSA-N 2 0 346.497 -0.542 20 0 EBADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001187851823 833973299 /nfs/dbraw/zinc/97/32/99/833973299.db2.gz VXTALAUMRCFRFK-RBSFLKMASA-N 2 0 329.441 -0.848 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001188139300 834011880 /nfs/dbraw/zinc/01/18/80/834011880.db2.gz KWVMWEFPQQMVHR-OLZOCXBDSA-N 2 0 339.440 -0.493 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001188145718 834012766 /nfs/dbraw/zinc/01/27/66/834012766.db2.gz KVSQYIBOWOPELH-CQSZACIVSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001188978948 834113372 /nfs/dbraw/zinc/11/33/72/834113372.db2.gz HMEVZYDPWJRFAP-BFHYXJOUSA-N 2 0 336.436 -0.334 20 0 EBADRP CC(=O)NCCOCC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189054303 834118272 /nfs/dbraw/zinc/11/82/72/834118272.db2.gz CFNNQUZTPJKHLF-JKSUJKDBSA-N 2 0 340.468 -0.377 20 0 EBADRP CC(=O)NCCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189389753 834150469 /nfs/dbraw/zinc/15/04/69/834150469.db2.gz LDTRFHLYHXTVIO-HZPDHXFCSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189802091 834193745 /nfs/dbraw/zinc/19/37/45/834193745.db2.gz RTWXFMXYFADVRA-RWMBFGLXSA-N 2 0 349.435 -0.802 20 0 EBADRP C[N@H+](CCOCCO)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190221526 834246935 /nfs/dbraw/zinc/24/69/35/834246935.db2.gz DDIKZINZVVTVCU-JKSUJKDBSA-N 2 0 325.453 -0.130 20 0 EBADRP COCCOCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213340243 837750488 /nfs/dbraw/zinc/75/04/88/837750488.db2.gz XJJOMEVKBZSUCZ-HUUCEWRRSA-N 2 0 343.468 -0.193 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001190643764 834307935 /nfs/dbraw/zinc/30/79/35/834307935.db2.gz CPVAVRNYLKYMQQ-VXGBXAGGSA-N 2 0 339.440 -0.413 20 0 EBADRP CN(C)S(=O)(=O)CCC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169598 834619864 /nfs/dbraw/zinc/61/98/64/834619864.db2.gz AZJIWOPYBMYRFV-CQSZACIVSA-N 2 0 348.513 -0.248 20 0 EBADRP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001193024178 834782143 /nfs/dbraw/zinc/78/21/43/834782143.db2.gz DXBFKTXHYPUPPR-BZUAXINKSA-N 2 0 325.453 -0.086 20 0 EBADRP COCCOCC[N@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193489176 834889492 /nfs/dbraw/zinc/88/94/92/834889492.db2.gz UFWNYXUOSWWLKL-OAHLLOKOSA-N 2 0 331.457 -0.240 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)C[C@@H](O)COCCOC)C1 ZINC001193642396 834921583 /nfs/dbraw/zinc/92/15/83/834921583.db2.gz NHTSEVLZPLOFGG-HZPDHXFCSA-N 2 0 345.484 -0.115 20 0 EBADRP C[N@H+](C[C@@H](O)Cn1cccn1)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194027047 835002322 /nfs/dbraw/zinc/00/23/22/835002322.db2.gz OVQCNYNDJVTENO-JKSUJKDBSA-N 2 0 335.452 -0.128 20 0 EBADRP CC(=O)NCCOCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194038322 835004272 /nfs/dbraw/zinc/00/42/72/835004272.db2.gz JSEGNVKEAMUSTR-MRXNPFEDSA-N 2 0 340.468 -0.232 20 0 EBADRP COCCOC[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194040792 835005736 /nfs/dbraw/zinc/00/57/36/835005736.db2.gz SJPNBLVDVUUJRC-HZPDHXFCSA-N 2 0 343.468 -0.361 20 0 EBADRP C[C@@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001194399703 835098523 /nfs/dbraw/zinc/09/85/23/835098523.db2.gz QKIFUKZLKWKICD-RBSFLKMASA-N 2 0 325.453 -0.063 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O ZINC001195702093 835274312 /nfs/dbraw/zinc/27/43/12/835274312.db2.gz XIBVZGJPTBVZHO-BFHYXJOUSA-N 2 0 336.440 -0.732 20 0 EBADRP CCN(C(=O)CN1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1)C1CC1 ZINC001195708672 835276188 /nfs/dbraw/zinc/27/61/88/835276188.db2.gz RNUWVFGNMFEOBR-HUUCEWRRSA-N 2 0 340.468 -0.500 20 0 EBADRP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196251622 835380485 /nfs/dbraw/zinc/38/04/85/835380485.db2.gz MTIXEZHZBHXOEK-BZUAXINKSA-N 2 0 343.468 -0.315 20 0 EBADRP CCCCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197048429 835498276 /nfs/dbraw/zinc/49/82/76/835498276.db2.gz BBSXTVHVWCEZJW-RBSFLKMASA-N 2 0 342.484 -0.206 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001197057538 835499388 /nfs/dbraw/zinc/49/93/88/835499388.db2.gz CWWFIBCGDAYDFA-RBSFLKMASA-N 2 0 340.468 -0.594 20 0 EBADRP CC[C@@H](C(=O)N1CCC[N@H+](C[C@H](O)COCCOC)CC1)[NH+](C)C ZINC001197173343 835518742 /nfs/dbraw/zinc/51/87/42/835518742.db2.gz ZKRYKIMVUSDJKR-HOTGVXAUSA-N 2 0 345.484 -0.115 20 0 EBADRP CC[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1)OC ZINC001197319421 835537527 /nfs/dbraw/zinc/53/75/27/835537527.db2.gz FKLVSPDIMQTYLU-FVQBIDKESA-N 2 0 343.468 -0.317 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CCC[N@H+](CCOCCO)CC2)CC1 ZINC001197568259 835580077 /nfs/dbraw/zinc/58/00/77/835580077.db2.gz GZZIVSNRMPWSAQ-UHFFFAOYSA-N 2 0 343.468 -0.360 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCOCCO)C1 ZINC001200123684 835914146 /nfs/dbraw/zinc/91/41/46/835914146.db2.gz RKMFKONCOOURDN-GJZGRUSLSA-N 2 0 329.441 -0.703 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCCO[C@H](C[NH2+]CCCO)C1 ZINC001200529367 835980623 /nfs/dbraw/zinc/98/06/23/835980623.db2.gz UIVUVFXPEWVPEK-CVEARBPZSA-N 2 0 325.453 -0.082 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCCO1 ZINC001200529514 835980970 /nfs/dbraw/zinc/98/09/70/835980970.db2.gz WGCLBJXKNNUICD-HUUCEWRRSA-N 2 0 338.452 -0.719 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001200628033 835997308 /nfs/dbraw/zinc/99/73/08/835997308.db2.gz QUNVNEAABXSONV-KBPBESRZSA-N 2 0 346.447 -0.381 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001200635888 835999980 /nfs/dbraw/zinc/99/99/80/835999980.db2.gz XGMRENQLMATDMI-KBPBESRZSA-N 2 0 326.441 -0.447 20 0 EBADRP O=C([C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC([NH2+]CCOCCO)CC1 ZINC001200657775 836009565 /nfs/dbraw/zinc/00/95/65/836009565.db2.gz BCKZQBNMLFTATL-JKSUJKDBSA-N 2 0 341.452 -0.561 20 0 EBADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCCO1)C(N)=O ZINC001200687897 836014341 /nfs/dbraw/zinc/01/43/41/836014341.db2.gz HUAWFYPCQITQOQ-QWHCGFSZSA-N 2 0 326.441 -0.448 20 0 EBADRP CC[C@H](C(=O)N1CCCO[C@@H](C[NH2+]CCn2cncn2)C1)[NH+](C)C ZINC001200796518 836038163 /nfs/dbraw/zinc/03/81/63/836038163.db2.gz ZJYMIYIQJIKKAU-LSDHHAIUSA-N 2 0 338.456 -0.175 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001200894431 836063029 /nfs/dbraw/zinc/06/30/29/836063029.db2.gz ROSVWDIVNZIRMV-ZDUSSCGKSA-N 2 0 339.440 -0.364 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001201118851 836098068 /nfs/dbraw/zinc/09/80/68/836098068.db2.gz VOEZGFIWLGMOQD-ZDUSSCGKSA-N 2 0 339.440 -0.364 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1 ZINC001201260261 836118983 /nfs/dbraw/zinc/11/89/83/836118983.db2.gz HZDXSUMDVJJDTK-AWEZNQCLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H]([NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1)C(=O)NC1CC1 ZINC001201317139 836127988 /nfs/dbraw/zinc/12/79/88/836127988.db2.gz FYWKXKYYADNXIH-HIFRSBDPSA-N 2 0 340.468 -0.188 20 0 EBADRP CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201333618 836129725 /nfs/dbraw/zinc/12/97/25/836129725.db2.gz AVBHGIOPNRAHSC-HNNXBMFYSA-N 2 0 338.456 -0.043 20 0 EBADRP CC(C)[C@H](C(=O)N1CCCO[C@H](C[NH2+]CCOCCO)C1)[NH+](C)C ZINC001201345211 836132001 /nfs/dbraw/zinc/13/20/01/836132001.db2.gz ZRZFFRUPWJWAIX-HZPDHXFCSA-N 2 0 345.484 -0.211 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCCO[C@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001201678150 836174232 /nfs/dbraw/zinc/17/42/32/836174232.db2.gz GRUQFDPKPXWYIO-CQSZACIVSA-N 2 0 349.497 -0.420 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001201679341 836175518 /nfs/dbraw/zinc/17/55/18/836175518.db2.gz WHJHENNEQORYCM-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[NH+](CC)CC)CCCO1 ZINC001201679329 836176336 /nfs/dbraw/zinc/17/63/36/836176336.db2.gz WBPMHULKRPQMTQ-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCCO1 ZINC001201711805 836182184 /nfs/dbraw/zinc/18/21/84/836182184.db2.gz IRPNENTVQQCROZ-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[C@H]([NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)CCCO1)C(N)=O ZINC001201809220 836196130 /nfs/dbraw/zinc/19/61/30/836196130.db2.gz LAKGUHNQAQPOCC-KBPBESRZSA-N 2 0 328.457 -0.201 20 0 EBADRP COC[C@H](C)[NH2+]C[C@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201864209 836207182 /nfs/dbraw/zinc/20/71/82/836207182.db2.gz UFDAHJPJLWCKGX-GJZGRUSLSA-N 2 0 331.457 -0.193 20 0 EBADRP C[C@@H]([NH2+]C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CCCO1)C(N)=O ZINC001201872441 836208910 /nfs/dbraw/zinc/20/89/10/836208910.db2.gz OTUZBSJCFSWSIZ-OLZOCXBDSA-N 2 0 349.435 -0.158 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCCO[C@H](C[NH2+]C[C@H](O)COC)C1 ZINC001201924183 836216195 /nfs/dbraw/zinc/21/61/95/836216195.db2.gz DRRVIMPEQHCGSB-JKSUJKDBSA-N 2 0 345.484 -0.067 20 0 EBADRP COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202057653 836242415 /nfs/dbraw/zinc/24/24/15/836242415.db2.gz GDOCLLCYPISQMR-HZPDHXFCSA-N 2 0 343.468 -0.192 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202049396 836243488 /nfs/dbraw/zinc/24/34/88/836243488.db2.gz NCYGOHQDJBUJSY-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCCO[C@@H](C[NH2+]CCCO)C1 ZINC001202071151 836249047 /nfs/dbraw/zinc/24/90/47/836249047.db2.gz WZVHWGKIQLRAFU-CVEARBPZSA-N 2 0 343.468 -0.456 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001202165465 836266547 /nfs/dbraw/zinc/26/65/47/836266547.db2.gz QVDHIYABCVPEJR-AWEZNQCLSA-N 2 0 328.457 -0.378 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202315872 836290602 /nfs/dbraw/zinc/29/06/02/836290602.db2.gz HMEMAMORBGWTAL-UHFFFAOYSA-N 2 0 327.429 -0.636 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC([NH2+]CC(=O)NC2CCOCC2)CC1 ZINC001202315569 836290829 /nfs/dbraw/zinc/29/08/29/836290829.db2.gz AOENFYDNVJOMQZ-UHFFFAOYSA-N 2 0 340.468 -0.186 20 0 EBADRP COCCCNC(=O)C[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202316140 836290999 /nfs/dbraw/zinc/29/09/99/836290999.db2.gz NSBZUEAYYCTLCW-UHFFFAOYSA-N 2 0 328.457 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/nfs/dbraw/zinc/40/76/52/836407652.db2.gz IHUZIAXFPZZSLI-LBPRGKRZSA-N 2 0 341.456 -0.247 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC([NH2+]CCN2CCNC2=O)CC1 ZINC001203349155 836423444 /nfs/dbraw/zinc/42/34/44/836423444.db2.gz HFOUBQDWHZRFMU-UHFFFAOYSA-N 2 0 341.456 -0.830 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1 ZINC001203460195 836433423 /nfs/dbraw/zinc/43/34/23/836433423.db2.gz NTSNPLULZVKFLA-UHFFFAOYSA-N 2 0 334.486 -0.542 20 0 EBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)COCC[NH+](C)C)C12CCC2 ZINC001203614042 836453260 /nfs/dbraw/zinc/45/32/60/836453260.db2.gz HHUUYQGHLFHSQZ-UONOGXRCSA-N 2 0 340.468 -0.282 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001203699048 836463325 /nfs/dbraw/zinc/46/33/25/836463325.db2.gz DWYXUNAOXFTNBB-ZDUSSCGKSA-N 2 0 346.497 -0.542 20 0 EBADRP COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001203709130 836465248 /nfs/dbraw/zinc/46/52/48/836465248.db2.gz LPASRJPWSWSJEG-GOEBONIOSA-N 2 0 343.468 -0.457 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001203714252 836466554 /nfs/dbraw/zinc/46/65/54/836466554.db2.gz JVDZDNLKKSWTTC-GFCCVEGCSA-N 2 0 339.440 -0.493 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001203932618 836488748 /nfs/dbraw/zinc/48/87/48/836488748.db2.gz LNLYQQRPSXKNBN-GFCCVEGCSA-N 2 0 341.456 -0.249 20 0 EBADRP CC[C@H](C(=O)N1CCC(C[NH2+][C@H](C)C(=O)NC(N)=O)CC1)[NH+](C)C ZINC001205518560 836575376 /nfs/dbraw/zinc/57/53/76/836575376.db2.gz CKFNLVAUKOASQS-DGCLKSJQSA-N 2 0 341.456 -0.262 20 0 EBADRP C[C@H]([NH2+]CC1CCN(C(=O)CCC[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001206073928 836621426 /nfs/dbraw/zinc/62/14/26/836621426.db2.gz JDRHNWGDPOVICY-LBPRGKRZSA-N 2 0 341.456 -0.260 20 0 EBADRP C[C@H](COCC(=O)N1CCC(C[NH2+]CC(N)=O)CC1)[NH+]1CCCC1 ZINC001206319463 836639851 /nfs/dbraw/zinc/63/98/51/836639851.db2.gz GFIBNBYMAXVKMC-CQSZACIVSA-N 2 0 340.468 -0.199 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CCC(C[NH2+]CC(N)=O)CC2)CC1 ZINC001206698709 836670930 /nfs/dbraw/zinc/67/09/30/836670930.db2.gz OROAUMKVVZLRBK-UHFFFAOYSA-N 2 0 326.441 -0.589 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC(C[NH2+][C@H]2CCNC2=O)CC1 ZINC001206873583 836686372 /nfs/dbraw/zinc/68/63/72/836686372.db2.gz CWLHTXLYQJMCSO-AWEZNQCLSA-N 2 0 326.441 -0.719 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+]CCN3CCNC3=O)CC2)C1 ZINC001206929220 836716125 /nfs/dbraw/zinc/71/61/25/836716125.db2.gz ZSPYWCBMRNPILW-OAHLLOKOSA-N 2 0 337.468 -0.209 20 0 EBADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001206979226 836740352 /nfs/dbraw/zinc/74/03/52/836740352.db2.gz LPYKMDLGQIQYBD-VNQPRFMTSA-N 2 0 325.453 -0.226 20 0 EBADRP O=C(N[C@@H]1C[N@H+](CC2CC[NH2+]CC2)[C@@H]2COC[C@H]12)c1cnccn1 ZINC001207435043 836798305 /nfs/dbraw/zinc/79/83/05/836798305.db2.gz DYBYYFZZWBGEOZ-FVQBIDKESA-N 2 0 331.420 -0.095 20 0 EBADRP C[NH+](C)CCN1CC[NH+](CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC001207442859 836799298 /nfs/dbraw/zinc/79/92/98/836799298.db2.gz IBTFMVSFPCVJRJ-UHFFFAOYSA-N 2 0 332.514 -0.163 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1)C1CC1 ZINC001208334106 836999352 /nfs/dbraw/zinc/99/93/52/836999352.db2.gz FOTYODMUGMJUOR-WCQYABFASA-N 2 0 325.413 -0.898 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001208374005 837013669 /nfs/dbraw/zinc/01/36/69/837013669.db2.gz UGMDZUIFCBQNDV-OCCSQVGLSA-N 2 0 341.456 -0.391 20 0 EBADRP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208494266 837064855 /nfs/dbraw/zinc/06/48/55/837064855.db2.gz NEWCMIGUIIKAFM-UKRRQHHQSA-N 2 0 328.457 -0.473 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001208638593 837095048 /nfs/dbraw/zinc/09/50/48/837095048.db2.gz JCXOIIFAEFURRG-YXXKGXSTSA-N 2 0 336.436 -0.824 20 0 EBADRP COCC[N@@H+]1CCO[C@@H]2C[NH+](CCN3CCOCC3)CC[C@@H]2C1 ZINC001209290127 837152757 /nfs/dbraw/zinc/15/27/57/837152757.db2.gz MTUQCYLXWDZWLA-IAGOWNOFSA-N 2 0 327.469 -0.012 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209304594 837154436 /nfs/dbraw/zinc/15/44/36/837154436.db2.gz SUSAFQHQLUVKAB-GFCCVEGCSA-N 2 0 339.440 -0.636 20 0 EBADRP CN(CC[NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)S(C)(=O)=O ZINC001209323958 837155512 /nfs/dbraw/zinc/15/55/12/837155512.db2.gz NPXUONWJMNFGES-CQSZACIVSA-N 2 0 348.513 -0.200 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209445685 837168146 /nfs/dbraw/zinc/16/81/46/837168146.db2.gz ODZMSVPVIAFNTG-CYBMUJFWSA-N 2 0 341.456 -0.246 20 0 EBADRP COC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001210338526 837273325 /nfs/dbraw/zinc/27/33/25/837273325.db2.gz FDIIJEZGETXNBW-CABCVRRESA-N 2 0 343.468 -0.315 20 0 EBADRP CS(=O)(=O)CC[NH2+][C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210673897 837316345 /nfs/dbraw/zinc/31/63/45/837316345.db2.gz JGDXKDPGCCHOQO-CYBMUJFWSA-N 2 0 329.466 -0.293 20 0 EBADRP CN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)COCC[NH+](C)C)C2)C1=O ZINC001210684986 837319724 /nfs/dbraw/zinc/31/97/24/837319724.db2.gz KYUZYGQKFKCDJF-KBPBESRZSA-N 2 0 326.441 -0.624 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001210684478 837319903 /nfs/dbraw/zinc/31/99/03/837319903.db2.gz HBJQYROVHFGFQH-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)NC(N)=O ZINC001210685316 837320669 /nfs/dbraw/zinc/32/06/69/837320669.db2.gz SPYNHWANFZVWKO-RYUDHWBXSA-N 2 0 337.424 -0.754 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001210782284 837328970 /nfs/dbraw/zinc/32/89/70/837328970.db2.gz JWDXUPRNQHJXQK-ZDUSSCGKSA-N 2 0 341.456 -0.246 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001210812034 837332868 /nfs/dbraw/zinc/33/28/68/837332868.db2.gz SZYPXOVEMGQYIT-GFCCVEGCSA-N 2 0 327.429 -0.636 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001210810828 837334517 /nfs/dbraw/zinc/33/45/17/837334517.db2.gz DVYVYWJKMRXUEP-QWHCGFSZSA-N 2 0 341.456 -0.247 20 0 EBADRP CO[C@@H]1C[N@H+](CCC[C@@H](C)O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730790 837853624 /nfs/dbraw/zinc/85/36/24/837853624.db2.gz XWMPPKXFHYPGLQ-RBSFLKMASA-N 2 0 331.457 -0.459 20 0 EBADRP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001213921511 837902390 /nfs/dbraw/zinc/90/23/90/837902390.db2.gz CIQMPLYHQKRBON-HZPDHXFCSA-N 2 0 343.468 -0.313 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](CC[NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001318853213 838040521 /nfs/dbraw/zinc/04/05/21/838040521.db2.gz BJIMRJNNPCGHRZ-OLZOCXBDSA-N 2 0 339.440 -0.649 20 0 EBADRP C[C@H](CC[NH2+]CC(=O)Nc1cnccn1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320518712 838782734 /nfs/dbraw/zinc/78/27/34/838782734.db2.gz VEUHNLKWOSAOSY-CHWSQXEVSA-N 2 0 334.424 -0.006 20 0 EBADRP CCN(CC[NH2+]CC(=O)NC(=O)NC)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001320734729 838826327 /nfs/dbraw/zinc/82/63/27/838826327.db2.gz MKQZYUANKSWSDK-CYBMUJFWSA-N 2 0 341.456 -0.247 20 0 EBADRP CCN(CC[NH2+]CC(=O)NC(=O)NC1CC1)C(=O)Cc1ncc[nH]1 ZINC001320875090 838852017 /nfs/dbraw/zinc/85/20/17/838852017.db2.gz CJKSKBAENYOYEY-UHFFFAOYSA-N 2 0 336.396 -0.622 20 0 EBADRP CS(=O)(=O)NCC[NH2+]C/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001321065935 838896257 /nfs/dbraw/zinc/89/62/57/838896257.db2.gz WZIKIAFRXRUHAF-HSWBROFVSA-N 2 0 344.481 -0.861 20 0 EBADRP CN(CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C)S(C)(=O)=O ZINC001321121118 838912261 /nfs/dbraw/zinc/91/22/61/838912261.db2.gz QNANRHAEQDDPIX-GXMNPTEKSA-N 2 0 346.497 -0.376 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001321199185 838934324 /nfs/dbraw/zinc/93/43/24/838934324.db2.gz FZXRKLCSHVYMGC-QLQVPFRHSA-N 2 0 339.440 -0.423 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NC(N)=O ZINC001321279687 838949471 /nfs/dbraw/zinc/94/94/71/838949471.db2.gz JYVWHWKQCJHIAN-MUBLQREKSA-N 2 0 339.440 -0.294 20 0 EBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001321572142 839023341 /nfs/dbraw/zinc/02/33/41/839023341.db2.gz WQJNIQRLGFKVLH-HNNXBMFYSA-N 2 0 339.484 -0.663 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC001322731366 839244991 /nfs/dbraw/zinc/24/49/91/839244991.db2.gz BERXPIZVWTUKHR-QLFBSQMISA-N 2 0 337.468 -0.909 20 0 EBADRP O=C(N[C@H](C[NH2+][C@@H]1CCC(=O)NC1=O)C1CC1)C12CC[NH+](CC1)C2 ZINC001323092669 839347737 /nfs/dbraw/zinc/34/77/37/839347737.db2.gz BLOVVWRKAFPXOV-CHWSQXEVSA-N 2 0 334.420 -0.628 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001323349474 839422352 /nfs/dbraw/zinc/42/23/52/839422352.db2.gz ALINBXNVUASMEF-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CCOCCO)C1 ZINC001325096416 839777365 /nfs/dbraw/zinc/77/73/65/839777365.db2.gz IACJKYMIJLBLFT-DOTOQJQBSA-N 2 0 343.468 -0.579 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@H](CC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001326354635 840091684 /nfs/dbraw/zinc/09/16/84/840091684.db2.gz YLNZOJBZVOFQRK-CYBMUJFWSA-N 2 0 339.440 -0.682 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC001326372252 840092966 /nfs/dbraw/zinc/09/29/66/840092966.db2.gz PKDCVZUOEOEWCT-HNNXBMFYSA-N 2 0 339.484 -0.612 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC001326426049 840105132 /nfs/dbraw/zinc/10/51/32/840105132.db2.gz FGLWKNPEUAFCGC-CYBMUJFWSA-N 2 0 348.451 -0.016 20 0 EBADRP Cn1cc(CC[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CCO2)cn1 ZINC001326957783 840249787 /nfs/dbraw/zinc/24/97/87/840249787.db2.gz LCULJCSDXGFILE-CVEARBPZSA-N 2 0 335.452 -0.126 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001327079672 840293764 /nfs/dbraw/zinc/29/37/64/840293764.db2.gz JJEXHIAWFZWBSZ-ZDUSSCGKSA-N 2 0 335.470 -0.812 20 0 EBADRP CN(CCC[N@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)CCc1nccn1C ZINC001327240145 840336494 /nfs/dbraw/zinc/33/64/94/840336494.db2.gz XTTSEQLDRSGIHT-CYBMUJFWSA-N 2 0 349.435 -0.062 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@H](C)C1O ZINC001327291057 840352636 /nfs/dbraw/zinc/35/26/36/840352636.db2.gz QEEDMALMVZFKPL-ZIAGYGMSSA-N 2 0 342.484 -0.587 20 0 EBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001327487387 840434468 /nfs/dbraw/zinc/43/44/68/840434468.db2.gz UYQTXCWIUSEKCT-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC001327487388 840434726 /nfs/dbraw/zinc/43/47/26/840434726.db2.gz UYQTXCWIUSEKCT-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCC[C@@](CO)([NH2+]CCOCCO)C1 ZINC001327607410 840473165 /nfs/dbraw/zinc/47/31/65/840473165.db2.gz OELOFHGTLMNSEZ-MRXNPFEDSA-N 2 0 329.441 -0.966 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001327956842 840557117 /nfs/dbraw/zinc/55/71/17/840557117.db2.gz GTPNKUQMTZOCGW-UONOGXRCSA-N 2 0 348.513 -0.298 20 0 EBADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)CC[N@@H+]1C ZINC001328818513 840759776 /nfs/dbraw/zinc/75/97/76/840759776.db2.gz XLPMEGMDUKHSPC-KFWWJZLASA-N 2 0 339.484 -0.711 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001329070487 840833242 /nfs/dbraw/zinc/83/32/42/840833242.db2.gz QZRIIPBOQXWILW-CYBMUJFWSA-N 2 0 326.441 -0.589 20 0 EBADRP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001329148069 840857747 /nfs/dbraw/zinc/85/77/47/840857747.db2.gz PMVCMMQPMRCXGU-QWHCGFSZSA-N 2 0 348.513 -0.250 20 0 EBADRP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)CCN1C(=O)CNC1=O ZINC001329460204 840927952 /nfs/dbraw/zinc/92/79/52/840927952.db2.gz OPZJTVCQAXCARE-LBPRGKRZSA-N 2 0 339.440 -0.541 20 0 EBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)C1 ZINC001329504956 840942856 /nfs/dbraw/zinc/94/28/56/840942856.db2.gz RAXXSKXJAUMZFO-CQSZACIVSA-N 2 0 337.468 -0.955 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CCO1 ZINC001330601589 841243166 /nfs/dbraw/zinc/24/31/66/841243166.db2.gz KSGQGZIEMUNHFG-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]([NH2+]CCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1)C(=O)NC(N)=O ZINC001330834413 841279669 /nfs/dbraw/zinc/27/96/69/841279669.db2.gz CEKFCQBEVBCYCV-NWDGAFQWSA-N 2 0 341.456 -0.071 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC001330859417 841284730 /nfs/dbraw/zinc/28/47/30/841284730.db2.gz FAWWNISQIRHFBR-ZDUSSCGKSA-N 2 0 326.441 -0.589 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001331324933 841391755 /nfs/dbraw/zinc/39/17/55/841391755.db2.gz DYMOVFQMYHCONB-OAHLLOKOSA-N 2 0 327.473 -0.620 20 0 EBADRP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001331512304 841419186 /nfs/dbraw/zinc/41/91/86/841419186.db2.gz BXAXJAYRLROQSJ-XQLPTFJDSA-N 2 0 342.484 -0.134 20 0 EBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC001331618936 841441194 /nfs/dbraw/zinc/44/11/94/841441194.db2.gz YKBMAQXBRPKLPQ-ZIAGYGMSSA-N 2 0 326.441 -0.399 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001331616908 841441206 /nfs/dbraw/zinc/44/12/06/841441206.db2.gz DYSRTYABLRQPNN-LSDHHAIUSA-N 2 0 339.484 -0.484 20 0 EBADRP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCS(=O)(=O)N(C)C ZINC001331633044 841445646 /nfs/dbraw/zinc/44/56/46/841445646.db2.gz UKDVIYXZQJRDGR-KBPBESRZSA-N 2 0 348.513 -0.344 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001331642432 841448008 /nfs/dbraw/zinc/44/80/08/841448008.db2.gz BDMKJKBQILKHLU-LBPRGKRZSA-N 2 0 327.429 -0.685 20 0 EBADRP CC(C)NC(=O)NCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001331738318 841477356 /nfs/dbraw/zinc/47/73/56/841477356.db2.gz GGMQBKHIAZIANB-UONOGXRCSA-N 2 0 343.472 -0.755 20 0 EBADRP C[C@@H]1[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001331927444 841532830 /nfs/dbraw/zinc/53/28/30/841532830.db2.gz BLEBFMKAUARSLM-CHWSQXEVSA-N 2 0 344.481 -0.790 20 0 EBADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CCN1C ZINC001332446514 841643692 /nfs/dbraw/zinc/64/36/92/841643692.db2.gz LAYHLBMIQJEUMF-CZUORRHYSA-N 2 0 326.441 -0.903 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CCNC(=O)C1CC1)C(=O)C12CC[NH+](CC1)C2 ZINC001332591072 841681402 /nfs/dbraw/zinc/68/14/02/841681402.db2.gz BLCFRHYOYITHKQ-AWEZNQCLSA-N 2 0 338.452 -0.983 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCn1cncn1 ZINC001332608950 841687884 /nfs/dbraw/zinc/68/78/84/841687884.db2.gz ZIKFBTUTHGXEFZ-LSDHHAIUSA-N 2 0 338.456 -0.439 20 0 EBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CO1 ZINC001333079829 841790183 /nfs/dbraw/zinc/79/01/83/841790183.db2.gz SSRFKWSVFVNEKX-GBJTYRQASA-N 2 0 340.468 -0.522 20 0 EBADRP COCCCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001333153096 841807392 /nfs/dbraw/zinc/80/73/92/841807392.db2.gz IPKPCQXMTFZXQU-NFOMZHRRSA-N 2 0 340.468 -0.330 20 0 EBADRP CN(CCOCC[NH2+][C@@H]1CCCNC1=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001333243894 841831273 /nfs/dbraw/zinc/83/12/73/841831273.db2.gz BTADRFJJNVTMTK-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)C1 ZINC001333376065 841861635 /nfs/dbraw/zinc/86/16/35/841861635.db2.gz RGABCMWFLCHSTO-MGPQQGTHSA-N 2 0 326.441 -0.593 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC001333437754 841878371 /nfs/dbraw/zinc/87/83/71/841878371.db2.gz GSWJGINUEJFDPM-HZSPNIEDSA-N 2 0 326.441 -0.591 20 0 EBADRP CCOCC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001333528972 841900566 /nfs/dbraw/zinc/90/05/66/841900566.db2.gz KCVSJSZUFRZROL-XHSDSOJGSA-N 2 0 340.468 -0.006 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CCCO1 ZINC001333899258 841963097 /nfs/dbraw/zinc/96/30/97/841963097.db2.gz UEALOTPFEQBUMN-ZIAGYGMSSA-N 2 0 326.441 -0.447 20 0 EBADRP C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC001334953998 842154609 /nfs/dbraw/zinc/15/46/09/842154609.db2.gz WAMJUPARNZUODS-IHRRRGAJSA-N 2 0 331.482 -0.013 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NCc1ccccc1C[NH3+])C[NH+](C)C ZINC001335205732 842224906 /nfs/dbraw/zinc/22/49/06/842224906.db2.gz WSXMTBFBVHVOME-OAHLLOKOSA-N 2 0 336.436 -0.156 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCN2C(=O)Cc3ccccc32)CC1 ZINC001335393054 842272602 /nfs/dbraw/zinc/27/26/02/842272602.db2.gz BYDLRFDHKDHUMN-MRXNPFEDSA-N 2 0 332.448 -0.226 20 0 EBADRP Cc1cccnc1NC(=O)CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001335515127 842297238 /nfs/dbraw/zinc/29/72/38/842297238.db2.gz SLLABRJLAVZBGH-OAHLLOKOSA-N 2 0 335.452 -0.083 20 0 EBADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCN1CCC([NH3+])CC1 ZINC001335623972 842319179 /nfs/dbraw/zinc/31/91/79/842319179.db2.gz ZOUVNBMWUVYURS-OAHLLOKOSA-N 2 0 340.516 -0.265 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H]1[NH3+] ZINC001335758381 842351273 /nfs/dbraw/zinc/35/12/73/842351273.db2.gz JWGCFQLWQFKDSH-UMVBOHGHSA-N 2 0 338.452 -0.591 20 0 EBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC001335777610 842353364 /nfs/dbraw/zinc/35/33/64/842353364.db2.gz GWESXQFCTNQKCB-JOCQHMNTSA-N 2 0 340.468 -0.155 20 0 EBADRP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC001335847062 842362933 /nfs/dbraw/zinc/36/29/33/842362933.db2.gz UAXBWJUHNNYFMK-RBSFLKMASA-N 2 0 338.452 -0.589 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001336660317 842531349 /nfs/dbraw/zinc/53/13/49/842531349.db2.gz WNDUJWIDWTWVAY-RRFJBIMHSA-N 2 0 340.468 -0.473 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCCN3CCSC[C@H]23)CC1 ZINC001336846475 842551399 /nfs/dbraw/zinc/55/13/99/842551399.db2.gz BLOPCZGLRLRBPG-BZUAXINKSA-N 2 0 328.526 -0.236 20 0 EBADRP O=C(N[C@H]1C[NH+]2CCC1CC2)C(F)C(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC001337410834 842611158 /nfs/dbraw/zinc/61/11/58/842611158.db2.gz SZZBJWIIDUFZGU-KBPBESRZSA-N 2 0 338.427 -0.255 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC001337455950 842616684 /nfs/dbraw/zinc/61/66/84/842616684.db2.gz QSNNXLGCNQATRF-RYUDHWBXSA-N 2 0 348.394 -0.816 20 0 EBADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCNCC[NH2+]CC1 ZINC001338587904 842838709 /nfs/dbraw/zinc/83/87/09/842838709.db2.gz DWQHWXWLOIWMKZ-HZPDHXFCSA-N 2 0 339.484 -0.431 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001340076519 842968540 /nfs/dbraw/zinc/96/85/40/842968540.db2.gz FLMBLDJHRYQTLL-OAHLLOKOSA-N 2 0 340.468 -0.199 20 0 EBADRP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001340248246 842984377 /nfs/dbraw/zinc/98/43/77/842984377.db2.gz HYQQQPFJESKXLS-NVXWUHKLSA-N 3 0 349.479 -0.074 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001340955772 843046899 /nfs/dbraw/zinc/04/68/99/843046899.db2.gz DDZMVYDPBBEFSX-CABCVRRESA-N 2 0 340.468 -0.247 20 0 EBADRP C[NH2+]CCCC(=O)N1CCNCCN(C(=O)CCC[NH2+]C)CC1 ZINC001341154533 843059029 /nfs/dbraw/zinc/05/90/29/843059029.db2.gz IBLBPMDHNQLKKJ-UHFFFAOYSA-N 2 0 327.473 -0.754 20 0 EBADRP CC[NH+](CC)CCCNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12 ZINC001341516733 843095261 /nfs/dbraw/zinc/09/52/61/843095261.db2.gz TZGXHABSRRUCQV-HZSPNIEDSA-N 2 0 331.482 -0.143 20 0 EBADRP CN1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1=O ZINC001341680956 843105102 /nfs/dbraw/zinc/10/51/02/843105102.db2.gz PZULWCBNCASSIF-ZNMIVQPWSA-N 2 0 336.436 -0.729 20 0 EBADRP C[NH+](C)CC[C@@H](N)C(=O)NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001342463058 843163501 /nfs/dbraw/zinc/16/35/01/843163501.db2.gz UQMOFQFJPMLHQU-QGZVFWFLSA-N 2 0 333.480 -0.013 20 0 EBADRP [NH3+]CCN1CCC[C@H](C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)C1=O ZINC001342504864 843165522 /nfs/dbraw/zinc/16/55/22/843165522.db2.gz CHPHVULUGWNAOJ-MGPQQGTHSA-N 2 0 340.493 -0.120 20 0 EBADRP C[C@@H]1COCC[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001342765310 843179430 /nfs/dbraw/zinc/17/94/30/843179430.db2.gz DCRMWHMZOCXKRU-KGLIPLIRSA-N 2 0 328.457 -0.521 20 0 EBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001344775890 843334510 /nfs/dbraw/zinc/33/45/10/843334510.db2.gz ZSWYMCUSCSQTSP-KKUMJFAQSA-N 2 0 338.452 -0.624 20 0 EBADRP CN(C)CC[NH+]1CCC(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001346189793 843484641 /nfs/dbraw/zinc/48/46/41/843484641.db2.gz BHYUIFBGZPSWRW-GOSISDBHSA-N 3 0 341.544 -0.542 20 0 EBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001348319455 843682145 /nfs/dbraw/zinc/68/21/45/843682145.db2.gz FYFJSEWENREACS-TZMCWYRMSA-N 2 0 326.441 -0.448 20 0 EBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCCNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001348702774 843737694 /nfs/dbraw/zinc/73/76/94/843737694.db2.gz XBRUXFLPNAAOPM-LSDHHAIUSA-N 2 0 340.468 -0.473 20 0 EBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC001348843523 843756772 /nfs/dbraw/zinc/75/67/72/843756772.db2.gz QEDFMPUVXVPJFU-NVXWUHKLSA-N 2 0 337.512 -0.236 20 0 EBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001350019709 843957946 /nfs/dbraw/zinc/95/79/46/843957946.db2.gz NAYQDRCBLHNNHF-UKRRQHHQSA-N 2 0 338.452 -0.447 20 0 EBADRP C[C@H](CNC(=O)CCC[NH+](C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574918501 948849973 /nfs/dbraw/zinc/84/99/73/948849973.db2.gz LSPIYCOGSFTMEF-LLVKDONJSA-N 2 0 332.412 -0.058 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574925856 948980904 /nfs/dbraw/zinc/98/09/04/948980904.db2.gz FMPCMHVQQMKGLX-LLVKDONJSA-N 2 0 332.412 -0.060 20 0 EBADRP CN(CC[NH2+]CCn1cncn1)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001691362504 1125853625 /nfs/dbraw/zinc/85/36/25/1125853625.db2.gz KGAOGDKQRLBNRC-UHFFFAOYSA-N 2 0 338.456 -0.316 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001408575970 1125870210 /nfs/dbraw/zinc/87/02/10/1125870210.db2.gz SQWAIFNFVXOGOV-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCN1C(=O)CNC1=O)[NH+](C)C ZINC001496207773 1125890206 /nfs/dbraw/zinc/89/02/06/1125890206.db2.gz RGYBWEPGDXBISC-RYUDHWBXSA-N 2 0 327.429 -0.685 20 0 EBADRP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CCN1CCNC1=O ZINC001493332656 1125895519 /nfs/dbraw/zinc/89/55/19/1125895519.db2.gz SVMXAZROADWFIA-AWEZNQCLSA-N 2 0 325.457 -0.209 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1CCCN1CC(=O)NC[C@H]1CCOC1 ZINC001481056505 1125914728 /nfs/dbraw/zinc/91/47/28/1125914728.db2.gz QKWMXZITONSKFN-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CCn2ccnc2)C1 ZINC001481102441 1125922480 /nfs/dbraw/zinc/92/24/80/1125922480.db2.gz LTIMYGVMFZTKCD-LBPRGKRZSA-N 2 0 336.396 -0.833 20 0 EBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)CCO1 ZINC001481109583 1125923437 /nfs/dbraw/zinc/92/34/37/1125923437.db2.gz SJAGLMLULWHCJD-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CC[NH+](CCN3CCNC3=O)C2)C1 ZINC001481118782 1125925758 /nfs/dbraw/zinc/92/57/58/1125925758.db2.gz LTXVRHCABKYEFF-GJZGRUSLSA-N 2 0 337.468 -0.209 20 0 EBADRP CCOCCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001481124306 1125927304 /nfs/dbraw/zinc/92/73/04/1125927304.db2.gz ZKEURXAZWOEKRZ-CABCVRRESA-N 2 0 340.468 -0.471 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001481266083 1125957638 /nfs/dbraw/zinc/95/76/38/1125957638.db2.gz ZBSNFRDTDYHDAC-UHFFFAOYSA-N 2 0 327.429 -0.636 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001481269203 1125958672 /nfs/dbraw/zinc/95/86/72/1125958672.db2.gz CQBRHLIOWMRKRD-KBPBESRZSA-N 2 0 338.452 -0.038 20 0 EBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001496364173 1125961161 /nfs/dbraw/zinc/96/11/61/1125961161.db2.gz RGHQOFKESZDKLW-ZIAGYGMSSA-N 2 0 348.513 -0.296 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)NC(N)=O ZINC001481288246 1125966390 /nfs/dbraw/zinc/96/63/90/1125966390.db2.gz XPMAZSJPJHXERL-LBPRGKRZSA-N 2 0 327.429 -0.508 20 0 EBADRP CN(CC[NH2+]C[C@H](O)COCC(F)(F)F)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001481314952 1125970984 /nfs/dbraw/zinc/97/09/84/1125970984.db2.gz NZOCPKPLFZSZQJ-RYUDHWBXSA-N 2 0 341.374 -0.074 20 0 EBADRP O=C(Cc1c[nH]cn1)NCC[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001481449219 1125991866 /nfs/dbraw/zinc/99/18/66/1125991866.db2.gz AESWQNHKEJKFQR-AAEUAGOBSA-N 2 0 333.392 -0.414 20 0 EBADRP C[N@@H+](CC(=O)NC(N)=O)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001481490841 1126002665 /nfs/dbraw/zinc/00/26/65/1126002665.db2.gz KARBDEDTNCROFE-STQMWFEESA-N 2 0 339.440 -0.554 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)C[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001481507983 1126005653 /nfs/dbraw/zinc/00/56/53/1126005653.db2.gz DRHYIFSHOUUSMM-NEPJUHHUSA-N 2 0 336.396 -0.753 20 0 EBADRP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001481708360 1126043560 /nfs/dbraw/zinc/04/35/60/1126043560.db2.gz GIRFRFRTUZEEFZ-CQSZACIVSA-N 2 0 325.457 -0.066 20 0 EBADRP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001481813866 1126058070 /nfs/dbraw/zinc/05/80/70/1126058070.db2.gz NUFPSBQMJDVKRH-RWMBFGLXSA-N 2 0 338.456 -0.177 20 0 EBADRP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCNS(C)(=O)=O ZINC001481842910 1126060677 /nfs/dbraw/zinc/06/06/77/1126060677.db2.gz YBEJMGMLZPOCJI-STQMWFEESA-N 2 0 334.486 -0.496 20 0 EBADRP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001481879597 1126064759 /nfs/dbraw/zinc/06/47/59/1126064759.db2.gz VMSVMSRJVXZUHS-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001481879598 1126064569 /nfs/dbraw/zinc/06/45/69/1126064569.db2.gz VMSVMSRJVXZUHS-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482300094 1126123032 /nfs/dbraw/zinc/12/30/32/1126123032.db2.gz XMMOKSLBUILMMR-KGLIPLIRSA-N 2 0 348.513 -0.154 20 0 EBADRP C[C@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482317047 1126129494 /nfs/dbraw/zinc/12/94/94/1126129494.db2.gz NHKGCTNBPFJBCI-NEPJUHHUSA-N 2 0 341.456 -0.119 20 0 EBADRP C[C@@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001482325785 1126131873 /nfs/dbraw/zinc/13/18/73/1126131873.db2.gz MBNOHGMKTGQZLA-ZDUSSCGKSA-N 2 0 325.457 -0.210 20 0 EBADRP C[C@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001482325784 1126131939 /nfs/dbraw/zinc/13/19/39/1126131939.db2.gz MBNOHGMKTGQZLA-CYBMUJFWSA-N 2 0 325.457 -0.210 20 0 EBADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001648987641 1126237954 /nfs/dbraw/zinc/23/79/54/1126237954.db2.gz RHVUYMIDCHUKGU-BJJXKVORSA-N 2 0 336.436 -0.839 20 0 EBADRP COc1nccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001482731329 1126262417 /nfs/dbraw/zinc/26/24/17/1126262417.db2.gz SILCTEZJFLLKJX-MRVWCRGKSA-N 2 0 337.424 -0.608 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]C[C@@H](O)CC(F)(F)F)CC1 ZINC001482765106 1126281481 /nfs/dbraw/zinc/28/14/81/1126281481.db2.gz FHPALCMLKBUGJR-RYUDHWBXSA-N 2 0 341.374 -0.292 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]CCn2cc(Cl)cn2)C1 ZINC001482768274 1126282893 /nfs/dbraw/zinc/28/28/93/1126282893.db2.gz SQHZHARULMCURV-JSGCOSHPSA-N 2 0 343.859 -0.055 20 0 EBADRP COc1cc(C[NH2+]C[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)sn1 ZINC001482787062 1126290959 /nfs/dbraw/zinc/29/09/59/1126290959.db2.gz VBAIOOQPCBEPLE-NSHDSACASA-N 2 0 340.449 -0.186 20 0 EBADRP CCn1nncc1C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001482781807 1126288614 /nfs/dbraw/zinc/28/86/14/1126288614.db2.gz LDHBHHJEZRCOPN-OAHLLOKOSA-N 2 0 338.456 -0.403 20 0 EBADRP CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)C[NH+]2CCC(C)CC2)C1=O ZINC001482782959 1126289131 /nfs/dbraw/zinc/28/91/31/1126289131.db2.gz VWBUYKPOOHSUQS-GJZGRUSLSA-N 2 0 340.468 -0.594 20 0 EBADRP O=C(C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1)Nc1ccccc1 ZINC001482791079 1126292719 /nfs/dbraw/zinc/29/27/19/1126292719.db2.gz OTNBDGPIOHCJBX-OAHLLOKOSA-N 2 0 334.420 -0.212 20 0 EBADRP CC(C)(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)CC[NH+]1CCCCC1 ZINC001482800368 1126295069 /nfs/dbraw/zinc/29/50/69/1126295069.db2.gz VWXYUTVMAHAENH-CQSZACIVSA-N 2 0 342.484 -0.156 20 0 EBADRP CCN(CC[NH2+][C@@H]1CCNC1=O)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001482968832 1126307439 /nfs/dbraw/zinc/30/74/39/1126307439.db2.gz ZEJYWRURQMMCHW-UONOGXRCSA-N 2 0 326.441 -0.719 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001483008210 1126312052 /nfs/dbraw/zinc/31/20/52/1126312052.db2.gz HVOQOPBDUOPQQE-LSMGEYOZSA-N 2 0 336.436 -0.262 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001483014934 1126312765 /nfs/dbraw/zinc/31/27/65/1126312765.db2.gz CAFFAQXLSIOOIS-IJWDBEHRSA-N 2 0 339.440 -0.294 20 0 EBADRP CC(C)(C(=O)NC/C=C/C[NH2+][C@@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001483043981 1126318552 /nfs/dbraw/zinc/31/85/52/1126318552.db2.gz YSIZOKGTKUCUFS-ITDFMYJTSA-N 2 0 336.436 -0.072 20 0 EBADRP O=C(NC/C=C\C[NH2+][C@H]1CCC(=O)NC1=O)C12CCC[NH+](CCC1)C2 ZINC001483025407 1126314721 /nfs/dbraw/zinc/31/47/21/1126314721.db2.gz WMIUSXKVDWJQMB-BOPNBLERSA-N 2 0 348.447 -0.070 20 0 EBADRP CNC(=O)[C@@H](C)[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001691593972 1126323700 /nfs/dbraw/zinc/32/37/00/1126323700.db2.gz UQQFRAJKFFHIEW-KGLIPLIRSA-N 2 0 328.457 -0.378 20 0 EBADRP CN(CC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001691602721 1126324863 /nfs/dbraw/zinc/32/48/63/1126324863.db2.gz CRJQURRILOTOTH-KBPBESRZSA-N 2 0 346.497 -0.732 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[NH2+]CCN1C(=O)CNC1=O ZINC001691619175 1126326133 /nfs/dbraw/zinc/32/61/33/1126326133.db2.gz FFTLBVORBWHTPR-STQMWFEESA-N 2 0 339.440 -0.541 20 0 EBADRP C[C@@H](CNC(=O)CCN1CCOCC1)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001409654691 1126388753 /nfs/dbraw/zinc/38/87/53/1126388753.db2.gz ABCUJDNJWYIMLI-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001483244465 1126410063 /nfs/dbraw/zinc/41/00/63/1126410063.db2.gz YIMHDGXWOUMMHV-STQMWFEESA-N 2 0 341.456 -0.343 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)N1CCO[C@H](C)C1)NC(=O)CCC[NH+](C)C ZINC001483260349 1126411274 /nfs/dbraw/zinc/41/12/74/1126411274.db2.gz BAWAWWXYLRYLTN-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP CN(CCC[NH2+]C[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483508867 1126432214 /nfs/dbraw/zinc/43/22/14/1126432214.db2.gz COYZIJNVYSWGPT-ZIAGYGMSSA-N 2 0 331.482 -0.189 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCN1C(=O)CNC1=O)C1CC1 ZINC001483579918 1126436897 /nfs/dbraw/zinc/43/68/97/1126436897.db2.gz NKGUGMWMUHUHPW-QWHCGFSZSA-N 2 0 337.424 -0.883 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]C2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)n(C)n1 ZINC001483721953 1126463830 /nfs/dbraw/zinc/46/38/30/1126463830.db2.gz NUDPMXHXMOMYTE-ZDUSSCGKSA-N 2 0 348.451 0.000 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1([NH2+]CC(=O)N(C)C)CC1 ZINC001483791598 1126477642 /nfs/dbraw/zinc/47/76/42/1126477642.db2.gz YTKQTYGADOZTLF-CYBMUJFWSA-N 2 0 326.441 -0.719 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001483932388 1126490374 /nfs/dbraw/zinc/49/03/74/1126490374.db2.gz FMZFLPSLCHEYDP-QWHCGFSZSA-N 2 0 339.440 -0.364 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001483933735 1126490741 /nfs/dbraw/zinc/49/07/41/1126490741.db2.gz AOSNJKLRWGHDQE-ZDUSSCGKSA-N 2 0 326.441 -0.589 20 0 EBADRP C[C@H](NC(=O)CCn1ccnc1)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001409912913 1126497052 /nfs/dbraw/zinc/49/70/52/1126497052.db2.gz LDJOMGHUPWSNSB-HOCLYGCPSA-N 2 0 346.435 -0.033 20 0 EBADRP COCCOCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001484209921 1126520407 /nfs/dbraw/zinc/52/04/07/1126520407.db2.gz ZJXBMCWRKMLQPS-GDBMZVCRSA-N 2 0 329.441 -0.703 20 0 EBADRP CCn1cc(CC[N@@H+]2CC[C@@](O)(CNC(=O)[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001484252282 1126544846 /nfs/dbraw/zinc/54/48/46/1126544846.db2.gz UIPJZZBVEHBNQM-FUHWJXTLSA-N 2 0 349.479 -0.050 20 0 EBADRP CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2C1)[NH+](C)C ZINC001484413077 1126571055 /nfs/dbraw/zinc/57/10/55/1126571055.db2.gz XGDJAYNBMXZMHQ-OWCLPIDISA-N 2 0 327.469 -0.028 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]Cc1cccc(C(N)=O)c1 ZINC001484478183 1126590511 /nfs/dbraw/zinc/59/05/11/1126590511.db2.gz IVIOJTWXZJESOQ-INIZCTEOSA-N 2 0 348.447 -0.210 20 0 EBADRP O=C(C[NH+]1CCCC1)N(CCO)CC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001484501429 1126599541 /nfs/dbraw/zinc/59/95/41/1126599541.db2.gz VQHKOQBACYCSGH-HNNXBMFYSA-N 2 0 340.468 -0.591 20 0 EBADRP Cn1[nH]c(C[NH2+]CC[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nc1=O ZINC001484530148 1126602030 /nfs/dbraw/zinc/60/20/30/1126602030.db2.gz AEJKCPXAJJJLRV-QWHCGFSZSA-N 2 0 336.440 -0.469 20 0 EBADRP Cn1ccc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CC[N@H+](C)C2)cc1=O ZINC001484500771 1126599388 /nfs/dbraw/zinc/59/93/88/1126599388.db2.gz SWEIWKBPOTZTGT-OAHLLOKOSA-N 2 0 336.436 -0.753 20 0 EBADRP O=C(NCC1([NH2+]CCN2C(=O)CNC2=O)CCC1)C12CC[NH+](CC1)C2 ZINC001484660580 1126614860 /nfs/dbraw/zinc/61/48/60/1126614860.db2.gz KILWSQWJESHOMM-UHFFFAOYSA-N 2 0 349.435 -0.738 20 0 EBADRP C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CCO1 ZINC001484680383 1126616115 /nfs/dbraw/zinc/61/61/15/1126616115.db2.gz MKLVKKHNGPAWQV-GJZGRUSLSA-N 2 0 343.468 -0.457 20 0 EBADRP C[C@@H]([NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCO1)C(=O)NC1CC1 ZINC001484686656 1126621832 /nfs/dbraw/zinc/62/18/32/1126621832.db2.gz AFDHVLUGTAYSEO-OCCSQVGLSA-N 2 0 326.441 -0.578 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1 ZINC001484699361 1126622550 /nfs/dbraw/zinc/62/25/50/1126622550.db2.gz OQNHSGKBJNCWFK-HNNXBMFYSA-N 2 0 340.468 -0.185 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CCC[C@@](CO)([NH2+]CCF)C2)cn1 ZINC001484852194 1126642792 /nfs/dbraw/zinc/64/27/92/1126642792.db2.gz YPBMKUGNPFDNPO-MRXNPFEDSA-N 2 0 341.431 -0.029 20 0 EBADRP COCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001484854281 1126645157 /nfs/dbraw/zinc/64/51/57/1126645157.db2.gz UFMVJVMMUSZGDN-WBVHZDCISA-N 2 0 343.468 -0.456 20 0 EBADRP C[C@@H]([NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCOCC1)C(N)=O ZINC001484868514 1126648588 /nfs/dbraw/zinc/64/85/88/1126648588.db2.gz PMIZJABLIKPBHW-GFCCVEGCSA-N 2 0 326.441 -0.543 20 0 EBADRP C[C@@H]([NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)C(=O)N(C)C ZINC001484964161 1126657168 /nfs/dbraw/zinc/65/71/68/1126657168.db2.gz FGLCHASMCIILLP-ZIAGYGMSSA-N 2 0 340.468 -0.642 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC(O)(C[NH2+]CCCS(C)(=O)=O)CC1 ZINC001484958985 1126659094 /nfs/dbraw/zinc/65/90/94/1126659094.db2.gz CUVDMRRROXBEPQ-UHFFFAOYSA-N 2 0 349.497 -0.684 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001485107392 1126675365 /nfs/dbraw/zinc/67/53/65/1126675365.db2.gz PZZJAPYGSWQBTF-HIFPTAJRSA-N 2 0 339.440 -0.732 20 0 EBADRP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001485388412 1126698582 /nfs/dbraw/zinc/69/85/82/1126698582.db2.gz MJNLCJUVCLDMCK-CHWSQXEVSA-N 2 0 341.456 -0.118 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CCn2cncn2)C1 ZINC001485648471 1126776915 /nfs/dbraw/zinc/77/69/15/1126776915.db2.gz AJDVNBBEIGRRPS-LSDHHAIUSA-N 2 0 338.456 -0.176 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCO[C@H]([C@H](C)[NH2+]CCS(C)(=O)=O)C1 ZINC001485645379 1126789004 /nfs/dbraw/zinc/78/90/04/1126789004.db2.gz FISJPTOFQPXGRS-KBPBESRZSA-N 2 0 349.497 -0.422 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](C[NH2+]CCN3CCNC3=O)C2)C1 ZINC001485702700 1126811667 /nfs/dbraw/zinc/81/16/67/1126811667.db2.gz YRVQKWUOUKPYMN-RBSFLKMASA-N 2 0 337.468 -0.162 20 0 EBADRP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12 ZINC001649078551 1126868822 /nfs/dbraw/zinc/86/88/22/1126868822.db2.gz IWLAVDSULSGZHS-ARFNZGECSA-N 2 0 329.466 -0.394 20 0 EBADRP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCNS(C)(=O)=O ZINC001485911467 1126913415 /nfs/dbraw/zinc/91/34/15/1126913415.db2.gz DUIYKLXAIDSQDL-OLZOCXBDSA-N 2 0 334.486 -0.544 20 0 EBADRP C[C@@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CC(=O)NC(N)=O ZINC001485929688 1126922804 /nfs/dbraw/zinc/92/28/04/1126922804.db2.gz CEJOGEIKQVFBQC-STQMWFEESA-N 2 0 341.456 -0.118 20 0 EBADRP Cc1nn(C)cc1C[NH2+][C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001485998745 1126961428 /nfs/dbraw/zinc/96/14/28/1126961428.db2.gz ZNKRVCAQBIAEDC-HOTGVXAUSA-N 2 0 335.452 -0.363 20 0 EBADRP O=C(C[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2)NC1CCCC1 ZINC001486052659 1127021902 /nfs/dbraw/zinc/02/19/02/1127021902.db2.gz LMXCUBRHYJGDQT-AWEZNQCLSA-N 2 0 338.452 -0.792 20 0 EBADRP C[C@@H]1[C@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CCCC[NH+](C)C ZINC001486091197 1127030430 /nfs/dbraw/zinc/03/04/30/1127030430.db2.gz GLXARXSACIOULG-VXGBXAGGSA-N 2 0 327.429 -0.508 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@H]([NH2+]CCNS(C)(=O)=O)C(C)(C)C1 ZINC001486241641 1127065335 /nfs/dbraw/zinc/06/53/35/1127065335.db2.gz XXRWNNBDLZZHTC-LBPRGKRZSA-N 2 0 334.486 -0.686 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CCNS(C)(=O)=O)C(C)(C)C1 ZINC001486241639 1127065758 /nfs/dbraw/zinc/06/57/58/1127065758.db2.gz XXRWNNBDLZZHTC-GFCCVEGCSA-N 2 0 334.486 -0.686 20 0 EBADRP CN(C[C@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)CC1CC[NH+](C)CC1 ZINC001486302879 1127107260 /nfs/dbraw/zinc/10/72/60/1127107260.db2.gz HDXPAMGCDPFLCJ-CABCVRRESA-N 2 0 340.468 -0.642 20 0 EBADRP CN(C[C@H](O)C[NH2+]CC(=O)NC1CCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001486317858 1127120051 /nfs/dbraw/zinc/12/00/51/1127120051.db2.gz RIIUSPFNLDBXKZ-DZGCQCFKSA-N 2 0 340.468 -0.594 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)Cc3ncc[nH]3)[C@@H]2C1 ZINC001487328201 1127470418 /nfs/dbraw/zinc/47/04/18/1127470418.db2.gz LHOOAYQOYZOZCY-FQUUOJAGSA-N 2 0 331.420 -0.133 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](O)CNC(=O)C[NH+]2CCCC2)C1 ZINC001410106038 1127568799 /nfs/dbraw/zinc/56/87/99/1127568799.db2.gz DTXOPZSJKNJTNZ-KBPBESRZSA-N 2 0 326.441 -0.983 20 0 EBADRP C[C@H]([NH2+]CC(N)=O)[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001410127386 1127591784 /nfs/dbraw/zinc/59/17/84/1127591784.db2.gz COPLUEYQHTUSJE-UONOGXRCSA-N 2 0 326.441 -0.447 20 0 EBADRP CCCNC(=O)C[NH2+][C@H](C)[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001410156468 1127617571 /nfs/dbraw/zinc/61/75/71/1127617571.db2.gz QETYXTIOMCXSAA-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001410228576 1127649898 /nfs/dbraw/zinc/64/98/98/1127649898.db2.gz QMSGFRDWZBXFJJ-JHJVBQTASA-N 2 0 339.440 -0.732 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)CC(=O)NC(=O)NC)CC1 ZINC001410246390 1127658437 /nfs/dbraw/zinc/65/84/37/1127658437.db2.gz AHXUFIUVOFUEBX-UHFFFAOYSA-N 2 0 341.456 -0.293 20 0 EBADRP CNC(=O)C[N@H+](C)C1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001410256654 1127660711 /nfs/dbraw/zinc/66/07/11/1127660711.db2.gz HYULLOQSEYHJRE-CQSZACIVSA-N 2 0 340.468 -0.377 20 0 EBADRP COc1cc(C[NH2+][C@@H](CO)CNC(=O)C23CC[NH+](CC2)C3)ccn1 ZINC001410760615 1127867644 /nfs/dbraw/zinc/86/76/44/1127867644.db2.gz YRIVLWPHAVVVKC-CQSZACIVSA-N 2 0 334.420 -0.247 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC(N(C)C(=O)[C@H]2CN(C)CCO2)C1 ZINC001410867699 1127922613 /nfs/dbraw/zinc/92/26/13/1127922613.db2.gz RUGMWSBZIHAZNN-OAHLLOKOSA-N 2 0 340.468 -0.282 20 0 EBADRP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)CC1(C)C ZINC001410939524 1127949039 /nfs/dbraw/zinc/94/90/39/1127949039.db2.gz NGGNKYOHKHICDT-UONOGXRCSA-N 2 0 340.468 -0.332 20 0 EBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C)C(=O)NC(N)=O ZINC001410975158 1127957643 /nfs/dbraw/zinc/95/76/43/1127957643.db2.gz HHOGYOCQJBGCOJ-WDEREUQCSA-N 2 0 327.429 -0.652 20 0 EBADRP CN(C[C@H](O)C[NH2+]CC(=O)NCC(C)(C)C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001410997579 1127966825 /nfs/dbraw/zinc/96/68/25/1127966825.db2.gz GNOZNBPJJYECGV-KGLIPLIRSA-N 2 0 342.484 -0.348 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001411055215 1127990652 /nfs/dbraw/zinc/99/06/52/1127990652.db2.gz DKMJLYHUEMKRNO-ZIAGYGMSSA-N 2 0 328.457 -0.644 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001411062519 1127996872 /nfs/dbraw/zinc/99/68/72/1127996872.db2.gz PAATVVARTUXKJV-UONOGXRCSA-N 2 0 326.441 -0.842 20 0 EBADRP C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)C[NH+]1CCC(C)CC1)C(=O)N(C)C ZINC001411134466 1128030464 /nfs/dbraw/zinc/03/04/64/1128030464.db2.gz ZFTWRHLFPAUFNJ-LSDHHAIUSA-N 2 0 342.484 -0.396 20 0 EBADRP C[NH2+]CCN(CCNC(=O)C[C@H]1CCC[NH2+]1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC001649143557 1128135527 /nfs/dbraw/zinc/13/55/27/1128135527.db2.gz SEYLZYUTRGNKQU-CABCVRRESA-N 3 0 339.484 -0.565 20 0 EBADRP C[C@]12CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]1C[N@H+](CC(N)=O)C2 ZINC001091868839 1128162288 /nfs/dbraw/zinc/16/22/88/1128162288.db2.gz XZDOPJQZNYNTBT-LVIMCTJDSA-N 2 0 348.447 -0.885 20 0 EBADRP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001092275729 1128220469 /nfs/dbraw/zinc/22/04/69/1128220469.db2.gz NANDEQIVNXHFBJ-GLJUWKHASA-N 2 0 348.447 -0.332 20 0 EBADRP CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)nn1 ZINC001093330623 1128321234 /nfs/dbraw/zinc/32/12/34/1128321234.db2.gz DIHURZWGUDHSTE-HNNXBMFYSA-N 2 0 336.440 -0.120 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(CCC([NH2+]CC(N)=O)CC2)C1 ZINC001093391310 1128335056 /nfs/dbraw/zinc/33/50/56/1128335056.db2.gz PUPURZCRTKNNPK-UUCFBXCCSA-N 2 0 338.452 -0.304 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001488000617 1128537144 /nfs/dbraw/zinc/53/71/44/1128537144.db2.gz WOPSHGZQGZBKMH-KGLIPLIRSA-N 2 0 340.468 -0.737 20 0 EBADRP CC[C@H](C(=O)NC[C@H](CO)NC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC001488029720 1128570773 /nfs/dbraw/zinc/57/07/73/1128570773.db2.gz VHHRJVHISFXQQK-MCIONIFRSA-N 2 0 328.457 -0.596 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001488030043 1128571399 /nfs/dbraw/zinc/57/13/99/1128571399.db2.gz OPXCEUCJGFLWAU-CQSZACIVSA-N 2 0 328.457 -0.738 20 0 EBADRP C[NH+](C)CC1(C(=O)NC[C@@H](CO)NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001488077291 1128611796 /nfs/dbraw/zinc/61/17/96/1128611796.db2.gz HQTYFQDXCOGVRV-KBPBESRZSA-N 2 0 340.468 -0.737 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001488368336 1128705718 /nfs/dbraw/zinc/70/57/18/1128705718.db2.gz ALWPNRKSAVVHSG-KBPBESRZSA-N 2 0 328.457 -0.786 20 0 EBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001488794431 1128855780 /nfs/dbraw/zinc/85/57/80/1128855780.db2.gz QXBHLULHLMUUKE-ZQDZILKHSA-N 2 0 340.468 -0.426 20 0 EBADRP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CC(=O)NC ZINC001489016845 1128898974 /nfs/dbraw/zinc/89/89/74/1128898974.db2.gz ITFFWXIUZGMSEY-ZIAGYGMSSA-N 2 0 338.452 -0.719 20 0 EBADRP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+][C@@H](C)C(N)=O ZINC001489016352 1128899087 /nfs/dbraw/zinc/89/90/87/1128899087.db2.gz BJZBLAAKRKJTJM-BFHYXJOUSA-N 2 0 338.452 -0.591 20 0 EBADRP C[NH+]1CCC(CC(=O)N2CCC[C@H]([NH+](CCO)CCO)C2)CC1 ZINC001489167836 1128915365 /nfs/dbraw/zinc/91/53/65/1128915365.db2.gz JDXRXLSKTVVFCU-INIZCTEOSA-N 2 0 327.469 -0.004 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001489544409 1128997836 /nfs/dbraw/zinc/99/78/36/1128997836.db2.gz XNPYQRJYMURWSC-ZIAGYGMSSA-N 2 0 328.457 -0.378 20 0 EBADRP CO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001489544348 1128997889 /nfs/dbraw/zinc/99/78/89/1128997889.db2.gz WETYUYWCADOTPF-ZIAGYGMSSA-N 2 0 326.441 -0.624 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)C[C@@H]1O ZINC001489608642 1129013456 /nfs/dbraw/zinc/01/34/56/1129013456.db2.gz HFXNYNWRLWJTTC-RDBSUJKOSA-N 2 0 326.441 -0.890 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001489628022 1129033724 /nfs/dbraw/zinc/03/37/24/1129033724.db2.gz SCATXHHDQHNJMY-ZNMIVQPWSA-N 2 0 340.468 -0.642 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[N@H+](C)[C@@H]1CCCNC1=O ZINC001490279333 1129156661 /nfs/dbraw/zinc/15/66/61/1129156661.db2.gz BXGICHVWWMXNPZ-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001490308684 1129163356 /nfs/dbraw/zinc/16/33/56/1129163356.db2.gz VWPAFJNQQQQQFQ-STQMWFEESA-N 2 0 341.456 -0.118 20 0 EBADRP C[NH+](C)CCC(=O)N1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001490527288 1129224731 /nfs/dbraw/zinc/22/47/31/1129224731.db2.gz OMDIOUVURUYPLP-YOEHRIQHSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870020930 1129265129 /nfs/dbraw/zinc/26/51/29/1129265129.db2.gz ITKNFXQKWLVEOF-JHJVBQTASA-N 2 0 334.486 -0.878 20 0 EBADRP O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12)NCC[C@@H]1CCC[NH2+]CC1 ZINC001649166342 1129270858 /nfs/dbraw/zinc/27/08/58/1129270858.db2.gz CWKZFWMORORLBN-APIJFGDWSA-N 2 0 343.493 -0.095 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001412927474 1129790931 /nfs/dbraw/zinc/79/09/31/1129790931.db2.gz VGOUIXNAYJPHOS-ZIAGYGMSSA-N 2 0 338.452 -0.983 20 0 EBADRP CN(C[C@@H](O)CNC(=O)C1(C[NH+](C)C)CC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001413264073 1129973032 /nfs/dbraw/zinc/97/30/32/1129973032.db2.gz JQCAEKROVGOTQM-KGLIPLIRSA-N 2 0 340.468 -0.785 20 0 EBADRP CN(C[C@H](O)CNC(=O)C1(C[NH+](C)C)CC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001413264082 1129973121 /nfs/dbraw/zinc/97/31/21/1129973121.db2.gz JQCAEKROVGOTQM-ZIAGYGMSSA-N 2 0 340.468 -0.785 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001490888571 1130205277 /nfs/dbraw/zinc/20/52/77/1130205277.db2.gz CJXPTSBICZCOQH-AVGNSLFASA-N 2 0 337.424 -0.979 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1)C(N)=O ZINC001490904205 1130236338 /nfs/dbraw/zinc/23/63/38/1130236338.db2.gz WTHNYPHLOGHCLN-JHJVBQTASA-N 2 0 326.441 -0.545 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001490998567 1130284095 /nfs/dbraw/zinc/28/40/95/1130284095.db2.gz FFNCSTYCKGJVDM-AWEZNQCLSA-N 2 0 326.441 -0.670 20 0 EBADRP CN1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC(C)(C)C)C2)C1 ZINC001491004152 1130285481 /nfs/dbraw/zinc/28/54/81/1130285481.db2.gz BZRKUWVAUHJIFK-FRRDWIJNSA-N 2 0 326.441 -0.532 20 0 EBADRP CS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001491018163 1130290796 /nfs/dbraw/zinc/29/07/96/1130290796.db2.gz BXCFGRXXPQAENO-HZSPNIEDSA-N 2 0 344.481 -0.886 20 0 EBADRP COCCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001491049559 1130307242 /nfs/dbraw/zinc/30/72/42/1130307242.db2.gz AWPWGAQWNLXIIK-GASCZTMLSA-N 2 0 340.468 -0.282 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NCCNC(=O)[C@@H]1CN(C)CCO1 ZINC001491203279 1130359937 /nfs/dbraw/zinc/35/99/37/1130359937.db2.gz MQPMVVCPWUECDO-AWEZNQCLSA-N 2 0 335.408 -0.676 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001491413735 1130434500 /nfs/dbraw/zinc/43/45/00/1130434500.db2.gz MQCKJLLLZCUTIJ-QWHCGFSZSA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC(=O)NC1CCOCC1 ZINC001491477916 1130462579 /nfs/dbraw/zinc/46/25/79/1130462579.db2.gz NNXCWYLBHGZEGB-ZDUSSCGKSA-N 2 0 340.468 -0.140 20 0 EBADRP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCN1CCNC1=O ZINC001491495153 1130469605 /nfs/dbraw/zinc/46/96/05/1130469605.db2.gz KVFVZJYGNRLPOH-CQSZACIVSA-N 2 0 337.468 -0.018 20 0 EBADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001491563489 1130533647 /nfs/dbraw/zinc/53/36/47/1130533647.db2.gz GYALMWVXOQKWKN-NSHDSACASA-N 2 0 339.440 -0.589 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001356772506 1130930748 /nfs/dbraw/zinc/93/07/48/1130930748.db2.gz PIWBITRCZGDBBB-CHWSQXEVSA-N 2 0 335.408 -0.582 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001413978231 1131187921 /nfs/dbraw/zinc/18/79/21/1131187921.db2.gz BAWAXWZKPHSCMI-RRFJBIMHSA-N 2 0 340.468 -0.642 20 0 EBADRP C[N@@H+]1C[C@H](NS(=O)(=O)CCCN2CC[NH+](C)CC2)C(C)(C)C1 ZINC001364136342 1132217355 /nfs/dbraw/zinc/21/73/55/1132217355.db2.gz XYGBWCBXPNZRIZ-AWEZNQCLSA-N 2 0 332.514 -0.117 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC(=O)N2CCCC2)C[C@H]1C[NH+](C)C ZINC001364543045 1132357381 /nfs/dbraw/zinc/35/73/81/1132357381.db2.gz GXOIPMUTIYAJPA-HUUCEWRRSA-N 2 0 339.484 -0.010 20 0 EBADRP COCC[N@@H+](Cc1cc(=O)n2nc(N)[nH]c2n1)CC1CC[NH+](C)CC1 ZINC001365316150 1132618384 /nfs/dbraw/zinc/61/83/84/1132618384.db2.gz HZULMOZIBRCSFZ-UHFFFAOYSA-N 2 0 349.439 -0.210 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001365823301 1132819019 /nfs/dbraw/zinc/81/90/19/1132819019.db2.gz VPJMUSZZCDVDFX-SOUVJXGZSA-N 2 0 337.468 -0.162 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@H]2C[C@H]([NH2+]CCS(C)(=O)=O)C2)CCC1 ZINC001365836882 1132826759 /nfs/dbraw/zinc/82/67/59/1132826759.db2.gz YREXBMQPWKOQHA-JOCQHMNTSA-N 2 0 331.482 0.000 20 0 EBADRP CNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001365997195 1132957421 /nfs/dbraw/zinc/95/74/21/1132957421.db2.gz QNTVFRVXMGRNRQ-CHWSQXEVSA-N 2 0 326.441 -0.578 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001366096209 1133001120 /nfs/dbraw/zinc/00/11/20/1133001120.db2.gz ARDYFWQGIUKJCB-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001366107757 1133010054 /nfs/dbraw/zinc/01/00/54/1133010054.db2.gz DURLKOSWODKGEG-AJNGGQMLSA-N 2 0 338.452 -0.387 20 0 EBADRP O=C(N[C@H]1C[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001366115873 1133013791 /nfs/dbraw/zinc/01/37/91/1133013791.db2.gz LPRBJKRLVIDNOF-QAETUUGQSA-N 2 0 347.463 -0.177 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC(F)(F)F)C2)C1 ZINC001366126803 1133018125 /nfs/dbraw/zinc/01/81/25/1133018125.db2.gz CZPOSYDUYMKWBD-DCAQKATOSA-N 2 0 336.358 -0.147 20 0 EBADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1)[NH+](C)C ZINC001366131821 1133020697 /nfs/dbraw/zinc/02/06/97/1133020697.db2.gz GSDOYMWACVKJFH-AJNGGQMLSA-N 2 0 340.468 -0.141 20 0 EBADRP C[C@H]([NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001366247831 1133072882 /nfs/dbraw/zinc/07/28/82/1133072882.db2.gz INRHACWMDZFEHY-UNXYVOJBSA-N 2 0 327.429 -0.462 20 0 EBADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCN1CCNC1=O ZINC001366276218 1133080601 /nfs/dbraw/zinc/08/06/01/1133080601.db2.gz KGMGPNGKPGHMFS-UONOGXRCSA-N 2 0 325.457 -0.021 20 0 EBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001366361391 1133111028 /nfs/dbraw/zinc/11/10/28/1133111028.db2.gz XIGAFKLMTUKXGI-KGLIPLIRSA-N 2 0 326.441 -0.840 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001366417051 1133137962 /nfs/dbraw/zinc/13/79/62/1133137962.db2.gz WCVREXDUURILQO-ZDUSSCGKSA-N 2 0 341.456 -0.388 20 0 EBADRP CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)N1CCOCC1)[NH+](C)C ZINC001366481376 1133154973 /nfs/dbraw/zinc/15/49/73/1133154973.db2.gz AGUUNQFPNQAFKN-GDBMZVCRSA-N 2 0 342.484 -0.084 20 0 EBADRP CN(CCNC(=O)[C@H]1CCCC[N@@H+]1C)CC(=O)NC[C@@H]1CCCO1 ZINC001366541672 1133176328 /nfs/dbraw/zinc/17/63/28/1133176328.db2.gz WRHFFPATOTXBQR-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H](C)C(=O)NC(=O)NC ZINC001366710292 1133265538 /nfs/dbraw/zinc/26/55/38/1133265538.db2.gz XOMKAIAXKHNKEL-STQMWFEESA-N 2 0 341.456 -0.247 20 0 EBADRP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H](C)C(=O)NC(N)=O ZINC001366729823 1133273032 /nfs/dbraw/zinc/27/30/32/1133273032.db2.gz UBKPAEOTIPTTJE-RYUDHWBXSA-N 2 0 327.429 -0.650 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001366837094 1133311112 /nfs/dbraw/zinc/31/11/12/1133311112.db2.gz GBCDNRQRBRZIPK-CHWSQXEVSA-N 2 0 339.440 -0.506 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[C@@H]2CC[NH+](CCS(C)(=O)=O)C2)C1 ZINC001366848733 1133318386 /nfs/dbraw/zinc/31/83/86/1133318386.db2.gz BISQUQQDNJUDTD-ZIAGYGMSSA-N 2 0 331.482 -0.189 20 0 EBADRP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001366854930 1133323028 /nfs/dbraw/zinc/32/30/28/1133323028.db2.gz ROWMSTLYMIXERT-CYBMUJFWSA-N 2 0 339.440 -0.634 20 0 EBADRP CNC(=O)NC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001366875909 1133334706 /nfs/dbraw/zinc/33/47/06/1133334706.db2.gz XAULIUGVCDYLAY-QWHCGFSZSA-N 2 0 339.440 -0.826 20 0 EBADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)CC1)C(N)=O ZINC001367193943 1133498794 /nfs/dbraw/zinc/49/87/94/1133498794.db2.gz IPVDULQONAVGOT-IHRRRGAJSA-N 2 0 340.468 -0.012 20 0 EBADRP Cc1c(C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC(N)=O)ccc2c[nH+]cn21 ZINC001367258618 1133517501 /nfs/dbraw/zinc/51/75/01/1133517501.db2.gz ZVYDTCABYRXVRS-JTQLQIEISA-N 2 0 346.391 -0.207 20 0 EBADRP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)C[NH2+]CC(=O)NC(N)=O ZINC001367265462 1133520942 /nfs/dbraw/zinc/52/09/42/1133520942.db2.gz YGALCAXQIDDVES-GFCCVEGCSA-N 2 0 339.440 -0.601 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367401878 1133579177 /nfs/dbraw/zinc/57/91/77/1133579177.db2.gz YVKNXYKSIYQXHX-NEPJUHHUSA-N 2 0 327.429 -0.780 20 0 EBADRP C[C@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001367419306 1133585359 /nfs/dbraw/zinc/58/53/59/1133585359.db2.gz ZPHSDXDZNHICEC-OLZOCXBDSA-N 2 0 341.456 -0.118 20 0 EBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001367430740 1133587839 /nfs/dbraw/zinc/58/78/39/1133587839.db2.gz MHSJTEONFAHEBH-NEPJUHHUSA-N 2 0 327.429 -0.650 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)C[N@H+](C)C1CCC1)C(C)C ZINC001367471896 1133596790 /nfs/dbraw/zinc/59/67/90/1133596790.db2.gz HRSNOQCVGQZLJL-ZDUSSCGKSA-N 2 0 341.456 -0.343 20 0 EBADRP CCC(C)(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001367576261 1133643352 /nfs/dbraw/zinc/64/33/52/1133643352.db2.gz GRNGCYFAFGBELY-STQMWFEESA-N 2 0 328.457 -0.548 20 0 EBADRP Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1=O ZINC001367581978 1133650745 /nfs/dbraw/zinc/65/07/45/1133650745.db2.gz NBWNNKIQXBCGNO-JKSUJKDBSA-N 2 0 348.447 -0.706 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cnnn1C ZINC001367599605 1133675731 /nfs/dbraw/zinc/67/57/31/1133675731.db2.gz OKDMBJCNSBLKRC-HUUCEWRRSA-N 2 0 338.456 -0.498 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001367603928 1133681656 /nfs/dbraw/zinc/68/16/56/1133681656.db2.gz VRVLVDVVFJDXID-AWEZNQCLSA-N 2 0 342.484 -0.206 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCCCC1 ZINC001367608240 1133687504 /nfs/dbraw/zinc/68/75/04/1133687504.db2.gz RDSAGAUOFALZEW-UONOGXRCSA-N 2 0 326.441 -0.840 20 0 EBADRP CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001367609364 1133689574 /nfs/dbraw/zinc/68/95/74/1133689574.db2.gz QOOUVSJUWPEERO-UONOGXRCSA-N 2 0 338.452 -0.698 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001367613535 1133693435 /nfs/dbraw/zinc/69/34/35/1133693435.db2.gz CMVCJALXHIISDX-QWHCGFSZSA-N 2 0 328.457 -0.690 20 0 EBADRP C[C@H](C[NH2+]CC1CCS(=O)(=O)CC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001367664289 1133736163 /nfs/dbraw/zinc/73/61/63/1133736163.db2.gz XNWSKLLXUZZDHG-TZMCWYRMSA-N 2 0 331.482 0.000 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001367676463 1133742073 /nfs/dbraw/zinc/74/20/73/1133742073.db2.gz QTCVIARBVOCUDQ-LLVKDONJSA-N 2 0 339.440 -0.447 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001367677177 1133742361 /nfs/dbraw/zinc/74/23/61/1133742361.db2.gz SMWBRVAHFGWJDM-NEPJUHHUSA-N 2 0 341.456 -0.201 20 0 EBADRP C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001367679367 1133743136 /nfs/dbraw/zinc/74/31/36/1133743136.db2.gz CJYKPZLWIMPZQG-ZIAGYGMSSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@H](C[NH2+]C[C@H]1CCCS(=O)(=O)C1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001367689525 1133747829 /nfs/dbraw/zinc/74/78/29/1133747829.db2.gz NXYBFKYAOZDODV-MGPQQGTHSA-N 2 0 331.482 0.000 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC1CCOCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367706478 1133753765 /nfs/dbraw/zinc/75/37/65/1133753765.db2.gz NDBAOTYYHIWSLQ-KGLIPLIRSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367708550 1133754871 /nfs/dbraw/zinc/75/48/71/1133754871.db2.gz XOVTWABYCCCPOC-KGLIPLIRSA-N 2 0 326.441 -0.719 20 0 EBADRP C[C@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001367712105 1133756060 /nfs/dbraw/zinc/75/60/60/1133756060.db2.gz KEHYPXPXEQURSR-RDBSUJKOSA-N 2 0 326.441 -0.984 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001367755957 1133773586 /nfs/dbraw/zinc/77/35/86/1133773586.db2.gz RUKZKLUQOIXLFQ-RWMBFGLXSA-N 2 0 343.472 -0.099 20 0 EBADRP O=C(NCC1([NH2+]C[C@H](O)Cn2cccn2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001368004176 1133890660 /nfs/dbraw/zinc/89/06/60/1133890660.db2.gz VZMHSUUVYSEKRE-HOTGVXAUSA-N 2 0 347.463 -0.176 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)NCC2([NH2+]CC(=O)NC(N)=O)CC2)CC1 ZINC001368032342 1133905146 /nfs/dbraw/zinc/90/51/46/1133905146.db2.gz YCSWKBVXNULLER-UHFFFAOYSA-N 2 0 339.440 -0.460 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001368041853 1133909416 /nfs/dbraw/zinc/90/94/16/1133909416.db2.gz LGTLLTRIMILPEE-NSHDSACASA-N 2 0 327.429 -0.591 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001368105286 1133940117 /nfs/dbraw/zinc/94/01/17/1133940117.db2.gz UNQKVMUANBHZGE-STQMWFEESA-N 2 0 339.440 -0.365 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001368163727 1133972769 /nfs/dbraw/zinc/97/27/69/1133972769.db2.gz AGEQVVOIKAREJL-ABAIWWIYSA-N 2 0 325.413 -0.896 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001368193442 1133985966 /nfs/dbraw/zinc/98/59/66/1133985966.db2.gz DPPRFRYQENFSGG-XJKSGUPXSA-N 2 0 335.456 -0.120 20 0 EBADRP CCNC(=O)C[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCOCC1 ZINC001368233820 1134002151 /nfs/dbraw/zinc/00/21/51/1134002151.db2.gz WOXKZEXQMCHJCP-UHFFFAOYSA-N 2 0 340.468 -0.138 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CCNC(=O)C2CC2)C1 ZINC001368251499 1134030762 /nfs/dbraw/zinc/03/07/62/1134030762.db2.gz ZLJAWCYIAOHUCN-RHSMWYFYSA-N 2 0 338.452 -0.840 20 0 EBADRP Cc1nn(C)cc1C[N@@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001368280857 1134095090 /nfs/dbraw/zinc/09/50/90/1134095090.db2.gz QMOJMMMMTKXIPE-SFHVURJKSA-N 2 0 347.463 -0.123 20 0 EBADRP C[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001368341680 1134155902 /nfs/dbraw/zinc/15/59/02/1134155902.db2.gz QYBIBARHKDDNIF-NWDGAFQWSA-N 2 0 339.440 -0.508 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001368350396 1134159450 /nfs/dbraw/zinc/15/94/50/1134159450.db2.gz KQDXWLNLTAXSOT-NEPJUHHUSA-N 2 0 327.429 -0.794 20 0 EBADRP COC[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC001368355849 1134161919 /nfs/dbraw/zinc/16/19/19/1134161919.db2.gz PMTIGNCMYXSGHN-OWCLPIDISA-N 2 0 325.453 -0.274 20 0 EBADRP C[C@H]([NH2+]C1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(N)=O ZINC001368362995 1134166336 /nfs/dbraw/zinc/16/63/36/1134166336.db2.gz BSPRMGDXJZAXOF-JSGCOSHPSA-N 2 0 325.457 -0.875 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C1CCN(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001368363862 1134168014 /nfs/dbraw/zinc/16/80/14/1134168014.db2.gz LEKICIHXCDXLHB-KGLIPLIRSA-N 2 0 339.484 -0.757 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCN1CCC([NH2+]CC(N)=O)CC1 ZINC001368373454 1134178462 /nfs/dbraw/zinc/17/84/62/1134178462.db2.gz YOQGRYLVBQZODA-OAHLLOKOSA-N 2 0 339.484 -0.484 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCC[C@](CO)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001368374425 1134179152 /nfs/dbraw/zinc/17/91/52/1134179152.db2.gz KGRHMRYHOWLHAM-RDJZCZTQSA-N 2 0 343.468 -0.721 20 0 EBADRP C[C@H]([NH2+]CCN(CCO)C(=O)C1([NH+](C)C)CCC1)C(=O)N(C)C ZINC001368397679 1134200574 /nfs/dbraw/zinc/20/05/74/1134200574.db2.gz NTWMLQFBJVDFKC-ZDUSSCGKSA-N 2 0 328.457 -0.642 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(CCO)CC[NH2+][C@@H]1CCCN(C)C1=O ZINC001368403008 1134208456 /nfs/dbraw/zinc/20/84/56/1134208456.db2.gz BDVSJAQTXBNNSY-CQSZACIVSA-N 2 0 328.457 -0.642 20 0 EBADRP C[C@H]([NH2+]CC[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001368414725 1134213236 /nfs/dbraw/zinc/21/32/36/1134213236.db2.gz HAVSTRKGKIWULS-STQMWFEESA-N 2 0 341.456 -0.260 20 0 EBADRP CCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001368501393 1134254646 /nfs/dbraw/zinc/25/46/46/1134254646.db2.gz BCFNAZZGECRPBV-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP CCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCO1 ZINC001368509625 1134261872 /nfs/dbraw/zinc/26/18/72/1134261872.db2.gz LLZHWZZKHDNEGB-GOEBONIOSA-N 2 0 342.484 -0.084 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001368518752 1134270688 /nfs/dbraw/zinc/27/06/88/1134270688.db2.gz DOPKIFPJDIJGEY-SOUVJXGZSA-N 2 0 337.468 -0.162 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001368520691 1134271839 /nfs/dbraw/zinc/27/18/39/1134271839.db2.gz CPPRNJCSYOKWLS-SDDRHHMPSA-N 2 0 327.429 -0.604 20 0 EBADRP CNC(=O)NC(=O)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001368550790 1134287335 /nfs/dbraw/zinc/28/73/35/1134287335.db2.gz YVPBBXTXMGRPRG-GFCCVEGCSA-N 2 0 327.429 -0.684 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001368605210 1134318256 /nfs/dbraw/zinc/31/82/56/1134318256.db2.gz YBXGFIHPPJTLHL-HNNXBMFYSA-N 2 0 340.468 -0.188 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@](CO)([NH2+]CC(=O)NC)C1 ZINC001368613602 1134325197 /nfs/dbraw/zinc/32/51/97/1134325197.db2.gz LINFZILKYAHHTN-PBHICJAKSA-N 2 0 340.468 -0.450 20 0 EBADRP CCN(C)C(=O)C[NH2+][C@]1(CO)CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001368623141 1134334190 /nfs/dbraw/zinc/33/41/90/1134334190.db2.gz NHFZMIJCYJTLND-QGZVFWFLSA-N 2 0 342.484 -0.250 20 0 EBADRP CN1CC[C@@H]([NH2+]CC2(NC(=O)CC[NH+](C)C)CCOCC2)C1=O ZINC001368635590 1134348237 /nfs/dbraw/zinc/34/82/37/1134348237.db2.gz OGNNGGZBDIDXBM-CYBMUJFWSA-N 2 0 326.441 -0.576 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001368649708 1134355004 /nfs/dbraw/zinc/35/50/04/1134355004.db2.gz GCQGSYYWORRPKU-LBPRGKRZSA-N 2 0 339.440 -0.493 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCNC2=O)[C@H](OCC)C1 ZINC001368657185 1134359427 /nfs/dbraw/zinc/35/94/27/1134359427.db2.gz JOFDSZYTQXYBAM-RBSFLKMASA-N 2 0 340.468 -0.330 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(O)(C[NH2+][C@H](C)C(N)=O)CC1 ZINC001368689334 1134388916 /nfs/dbraw/zinc/38/89/16/1134388916.db2.gz QWADEDMUVIWHIA-ZIAGYGMSSA-N 2 0 340.468 -0.322 20 0 EBADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)N1CCOCC1 ZINC001368717291 1134404761 /nfs/dbraw/zinc/40/47/61/1134404761.db2.gz OECBFTWKKNJCLT-RRFJBIMHSA-N 2 0 340.468 -0.330 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001368729127 1134409963 /nfs/dbraw/zinc/40/99/63/1134409963.db2.gz WEUFYXWADCJLQO-XQQFMLRXSA-N 2 0 343.472 -0.099 20 0 EBADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001368735356 1134413154 /nfs/dbraw/zinc/41/31/54/1134413154.db2.gz HZNDKHQUZLXYKM-OWCLPIDISA-N 2 0 325.453 -0.130 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC2(CC[NH+]([C@H]3CCNC3=O)CC2)C1 ZINC001368753545 1134417874 /nfs/dbraw/zinc/41/78/74/1134417874.db2.gz JNAOMEUSPYRJRE-AWEZNQCLSA-N 2 0 338.452 -0.480 20 0 EBADRP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001368846092 1134463964 /nfs/dbraw/zinc/46/39/64/1134463964.db2.gz SBYWYRRATJAYHR-ZIAGYGMSSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001368848623 1134464240 /nfs/dbraw/zinc/46/42/40/1134464240.db2.gz MFAWDCUIVRJVNN-NEPJUHHUSA-N 2 0 339.440 -0.460 20 0 EBADRP C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001368923414 1134486031 /nfs/dbraw/zinc/48/60/31/1134486031.db2.gz HPCSXOBCAJQUOL-NWDGAFQWSA-N 2 0 341.456 -0.404 20 0 EBADRP C[C@H]([NH2+]CC(=O)N1CCC1)[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001369146827 1134591685 /nfs/dbraw/zinc/59/16/85/1134591685.db2.gz GXQHOOGHLIPFEC-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001369251453 1134630020 /nfs/dbraw/zinc/63/00/20/1134630020.db2.gz QCJLBJSMAOWMLD-VXGBXAGGSA-N 2 0 341.456 -0.249 20 0 EBADRP C[C@H](CN(C)C(=O)COC1CC[NH+](C)CC1)[NH2+]CCS(C)(=O)=O ZINC001369280580 1134638857 /nfs/dbraw/zinc/63/88/57/1134638857.db2.gz FRPXEJRLYCYFFA-CYBMUJFWSA-N 2 0 349.497 -0.422 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001369302636 1134646330 /nfs/dbraw/zinc/64/63/30/1134646330.db2.gz JGHZCYNOMOMQRM-NEPJUHHUSA-N 2 0 327.429 -0.780 20 0 EBADRP Cn1nnc2cc(C[NH2+][C@@H](CO)CNC(=O)[C@H]3CCC[N@@H+]3C)ccc21 ZINC001369318215 1134658495 /nfs/dbraw/zinc/65/84/95/1134658495.db2.gz FGHUGPZANWNDLR-CZUORRHYSA-N 2 0 346.435 -0.371 20 0 EBADRP CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001369325017 1134666139 /nfs/dbraw/zinc/66/61/39/1134666139.db2.gz QGCQABDTSSMPGV-KGLIPLIRSA-N 2 0 342.484 -0.207 20 0 EBADRP CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001369350156 1134699777 /nfs/dbraw/zinc/69/97/77/1134699777.db2.gz RNHKXOWOANOIEE-UKRRQHHQSA-N 2 0 342.484 -0.350 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001369351964 1134701654 /nfs/dbraw/zinc/70/16/54/1134701654.db2.gz KDNHPSVXTVEAGU-IHRRRGAJSA-N 2 0 342.484 -0.302 20 0 EBADRP CN1CCC[C@H]([NH2+][C@@H](CO)CNC(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001369354523 1134705113 /nfs/dbraw/zinc/70/51/13/1134705113.db2.gz OLHUJOJJXHTPAI-KGLIPLIRSA-N 2 0 340.468 -0.452 20 0 EBADRP CN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)c2ccc(C[NH+](C)C)cc2)C1=O ZINC001369363496 1134716935 /nfs/dbraw/zinc/71/69/35/1134716935.db2.gz MAFWJJCQYLNHQW-JKSUJKDBSA-N 2 0 348.447 -0.341 20 0 EBADRP CN(C)c1cc(C[NH2+][C@H](CO)CNC(=O)C[NH+]2CCCC2)ccn1 ZINC001369386468 1134748508 /nfs/dbraw/zinc/74/85/08/1134748508.db2.gz TWHBGYHPQMCZMM-HNNXBMFYSA-N 2 0 335.452 -0.190 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001369421895 1134772817 /nfs/dbraw/zinc/77/28/17/1134772817.db2.gz OBBCTDZRPSQLRL-QWHCGFSZSA-N 2 0 341.456 -0.342 20 0 EBADRP CN(C[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)C[N@H+](C)CC(C)(C)C ZINC001369476908 1134837629 /nfs/dbraw/zinc/83/76/29/1134837629.db2.gz TXDXJOYOSKCKON-ZIAGYGMSSA-N 2 0 342.484 -0.396 20 0 EBADRP CN(C[C@H](O)C[N@H+](C)[C@@H]1CCNC1=O)C(=O)CC1CC[NH+](C)CC1 ZINC001369524012 1134920795 /nfs/dbraw/zinc/92/07/95/1134920795.db2.gz SWIWTQIMSLTHNN-HUUCEWRRSA-N 2 0 340.468 -0.642 20 0 EBADRP Cn1nccc1CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001369913891 1135090158 /nfs/dbraw/zinc/09/01/58/1135090158.db2.gz IKHOPVFIFFKULJ-QGZVFWFLSA-N 2 0 348.495 -0.209 20 0 EBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001370275376 1135279348 /nfs/dbraw/zinc/27/93/48/1135279348.db2.gz CBCCYTFLLZELIJ-JSGCOSHPSA-N 2 0 326.441 -0.815 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@H](C[N@H+](C)CC(N)=O)C1 ZINC001370315688 1135299622 /nfs/dbraw/zinc/29/96/22/1135299622.db2.gz PMSPUUNPJKWUGC-LSDHHAIUSA-N 2 0 340.468 -0.390 20 0 EBADRP CNC(=O)C[N@H+](C)C[C@@H]1CCCN(C(=O)CCN2CCOCC2)C1 ZINC001370320204 1135302399 /nfs/dbraw/zinc/30/23/99/1135302399.db2.gz KGRJNFCTFPAMNR-HNNXBMFYSA-N 2 0 340.468 -0.375 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001370322519 1135303334 /nfs/dbraw/zinc/30/33/34/1135303334.db2.gz NEUIANLYMQJKKW-OLZOCXBDSA-N 2 0 341.456 -0.308 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001370402101 1135336379 /nfs/dbraw/zinc/33/63/79/1135336379.db2.gz BRUAUECDMZCTGH-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN(C)S(C)(=O)=O)C2)CC[N@@H+]1C ZINC001370460369 1135359981 /nfs/dbraw/zinc/35/99/81/1135359981.db2.gz RBKSFCPNDFDRNC-AAVRWANBSA-N 2 0 346.497 -0.545 20 0 EBADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1)[NH+](C)C ZINC001370549078 1135404508 /nfs/dbraw/zinc/40/45/08/1135404508.db2.gz SHUCWTWTICWKFI-AJNGGQMLSA-N 2 0 340.468 -0.453 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001370565754 1135411538 /nfs/dbraw/zinc/41/15/38/1135411538.db2.gz QXOOGFGFUCMSFJ-KKUMJFAQSA-N 2 0 340.468 -0.189 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001370639072 1135442093 /nfs/dbraw/zinc/44/20/93/1135442093.db2.gz PQDNSNHYZAUOHB-SCRDCRAPSA-N 2 0 341.456 -0.345 20 0 EBADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1)[NH+](C)C ZINC001370650802 1135453663 /nfs/dbraw/zinc/45/36/63/1135453663.db2.gz PWLWBLTWVOKWRY-BYNSBNAKSA-N 2 0 340.468 -0.284 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@H](CO)CNC(=O)C1CC[NH+](C)CC1)[NH+](C)C ZINC001370725451 1135552529 /nfs/dbraw/zinc/55/25/29/1135552529.db2.gz OELANKSIBVVZRK-GJZGRUSLSA-N 2 0 342.484 -0.492 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](CO)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001370813521 1135654365 /nfs/dbraw/zinc/65/43/65/1135654365.db2.gz XIJYLANUEJUIJF-HIFRSBDPSA-N 2 0 340.468 -0.737 20 0 EBADRP C[NH+](C)C1(C(=O)N2CCCC[C@@H]2C[NH2+]CC(=O)NC(N)=O)CCC1 ZINC001370907792 1135691875 /nfs/dbraw/zinc/69/18/75/1135691875.db2.gz IJGKVNLFNUTIET-GFCCVEGCSA-N 2 0 339.440 -0.364 20 0 EBADRP CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001370966075 1135715910 /nfs/dbraw/zinc/71/59/10/1135715910.db2.gz DQJGJAMOGNCWKZ-CHWSQXEVSA-N 2 0 341.456 -0.390 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001370985457 1135736013 /nfs/dbraw/zinc/73/60/13/1135736013.db2.gz OJIAHKIFTURKDP-UONOGXRCSA-N 2 0 328.457 -0.642 20 0 EBADRP CC[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1)[NH+](C)C ZINC001370996161 1135749740 /nfs/dbraw/zinc/74/97/40/1135749740.db2.gz MKGIHSRAYRZBHH-ZIAGYGMSSA-N 2 0 342.484 -0.254 20 0 EBADRP CN(C[C@H](O)CNC(=O)CC[NH+](C)C)C(=O)C12CCC[NH+]1CCC2 ZINC001370998354 1135754008 /nfs/dbraw/zinc/75/40/08/1135754008.db2.gz HEIDBLQQDWXPQO-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[NH+]1C ZINC001371015220 1135777598 /nfs/dbraw/zinc/77/75/98/1135777598.db2.gz OMKIWGSVDTVTKN-NMNMXBMNSA-N 2 0 325.453 -0.086 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001371240882 1135870593 /nfs/dbraw/zinc/87/05/93/1135870593.db2.gz QDWRSIHKWNCEHE-VXGBXAGGSA-N 2 0 327.429 -0.589 20 0 EBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001371345044 1135893271 /nfs/dbraw/zinc/89/32/71/1135893271.db2.gz HMHRVKCSZMKKDK-DZGCQCFKSA-N 2 0 340.468 -0.330 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)s1 ZINC001371472729 1135930238 /nfs/dbraw/zinc/93/02/38/1135930238.db2.gz MUVSTOXLFRWXDT-KOLCDFICSA-N 2 0 340.453 -0.169 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001371526830 1135951527 /nfs/dbraw/zinc/95/15/27/1135951527.db2.gz FAAJLGIZWZVEIF-KGLIPLIRSA-N 2 0 346.497 -0.590 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001371534502 1135958477 /nfs/dbraw/zinc/95/84/77/1135958477.db2.gz GAXYWVJFBYTORL-KFWWJZLASA-N 2 0 340.468 -0.644 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@@H](C[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001371613888 1135984385 /nfs/dbraw/zinc/98/43/85/1135984385.db2.gz ICHNVEWXLMNFNF-JKSUJKDBSA-N 2 0 335.452 -0.222 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001371627732 1135988542 /nfs/dbraw/zinc/98/85/42/1135988542.db2.gz XNKDQFZYPDKGSQ-OLZOCXBDSA-N 2 0 339.440 -0.778 20 0 EBADRP O=C(N1CC[C@@H](C[NH2+]C[C@@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001371639453 1135990120 /nfs/dbraw/zinc/99/01/20/1135990120.db2.gz VJZKAHPOALGOOV-JKSUJKDBSA-N 2 0 347.463 -0.222 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)[C@H](C)C(=O)NC(N)=O)C1 ZINC001371696106 1136005127 /nfs/dbraw/zinc/00/51/27/1136005127.db2.gz ZSOJGAHQJAVZJI-OLZOCXBDSA-N 2 0 341.456 -0.166 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]1O ZINC001371845472 1136034519 /nfs/dbraw/zinc/03/45/19/1136034519.db2.gz KMFRNAORXRXCPF-GJZGRUSLSA-N 2 0 342.484 -0.254 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001371845789 1136034833 /nfs/dbraw/zinc/03/48/33/1136034833.db2.gz UCFAUERTKKXJTK-GFCCVEGCSA-N 2 0 341.456 -0.342 20 0 EBADRP C[C@@H](CCNC(=O)COC1CC[NH+](C)CC1)[NH2+][C@H]1CCCNC1=O ZINC001371862647 1136043614 /nfs/dbraw/zinc/04/36/14/1136043614.db2.gz NHBWXHGPHMMHSD-ZFWWWQNUSA-N 2 0 340.468 -0.140 20 0 EBADRP CN(CCNC(=O)[C@H]1CN(C)CCO1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001373389139 1136442733 /nfs/dbraw/zinc/44/27/33/1136442733.db2.gz OUDOADLRDZGWLT-HUUCEWRRSA-N 2 0 338.452 -0.767 20 0 EBADRP CC[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001373796411 1136562092 /nfs/dbraw/zinc/56/20/92/1136562092.db2.gz MVTVPTQALADARM-CHWSQXEVSA-N 2 0 338.456 -0.033 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@](C)(C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001373887657 1136580743 /nfs/dbraw/zinc/58/07/43/1136580743.db2.gz SCWRPLOGMIKSTQ-BLLLJJGKSA-N 2 0 339.440 -0.460 20 0 EBADRP CCN1CCO[C@H](C(=O)N[C@](C)(C[NH2+]CC(=O)NC)C2CC2)C1 ZINC001373901226 1136583536 /nfs/dbraw/zinc/58/35/36/1136583536.db2.gz QDJSCGSQVAHWMW-XJKSGUPXSA-N 2 0 326.441 -0.672 20 0 EBADRP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C)CC1)C(=O)NC(N)=O ZINC001374072724 1136617797 /nfs/dbraw/zinc/61/77/97/1136617797.db2.gz NCVOFVUXIKRQQM-GHMZBOCLSA-N 2 0 327.429 -0.747 20 0 EBADRP C[C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)C[NH2+]Cc1cn(C)nn1 ZINC001374110572 1136624088 /nfs/dbraw/zinc/62/40/88/1136624088.db2.gz SOMUHMMACNVESH-UONOGXRCSA-N 2 0 338.456 -0.375 20 0 EBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)NCC(F)(F)F ZINC001374108918 1136624142 /nfs/dbraw/zinc/62/41/42/1136624142.db2.gz MVEOLKPWKPBCMN-WDEREUQCSA-N 2 0 338.374 -0.042 20 0 EBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001374111720 1136624531 /nfs/dbraw/zinc/62/45/31/1136624531.db2.gz ZDWYIARIKYHANG-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001374378990 1136680296 /nfs/dbraw/zinc/68/02/96/1136680296.db2.gz BJLKKYWOQBNCJS-NEPJUHHUSA-N 2 0 339.440 -0.650 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001374383317 1136681123 /nfs/dbraw/zinc/68/11/23/1136681123.db2.gz JMUMPARYAFDRCN-RYUDHWBXSA-N 2 0 327.429 -0.650 20 0 EBADRP CC(C)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001374453615 1136691968 /nfs/dbraw/zinc/69/19/68/1136691968.db2.gz ISKOUSCMPWAYBV-NEPJUHHUSA-N 2 0 327.429 -0.604 20 0 EBADRP CC(C)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001374453618 1136692066 /nfs/dbraw/zinc/69/20/66/1136692066.db2.gz ISKOUSCMPWAYBV-NWDGAFQWSA-N 2 0 327.429 -0.604 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1nccn1C(F)F ZINC001374632871 1136763092 /nfs/dbraw/zinc/76/30/92/1136763092.db2.gz LNWYUSDVQIZJLD-WDEREUQCSA-N 2 0 331.367 -0.061 20 0 EBADRP C[C@@H](C[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1)CS(C)(=O)=O ZINC001374641097 1136769401 /nfs/dbraw/zinc/76/94/01/1136769401.db2.gz IOXLHTIXVZPEQQ-GXTWGEPZSA-N 2 0 349.497 -0.924 20 0 EBADRP CC1CC[NH+](CC(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCC2)CC1 ZINC001374655341 1136778421 /nfs/dbraw/zinc/77/84/21/1136778421.db2.gz BYFLOSFZWAMZIJ-CQSZACIVSA-N 2 0 326.441 -0.983 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CCCC2)C1 ZINC001374672169 1136791030 /nfs/dbraw/zinc/79/10/30/1136791030.db2.gz DWRNFPZAJCGUFB-JSGCOSHPSA-N 2 0 326.441 -0.936 20 0 EBADRP NC(=O)c1cccc(C[NH2+]C[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001374674304 1136792660 /nfs/dbraw/zinc/79/26/60/1136792660.db2.gz XZZFESDACFMKTI-HNNXBMFYSA-N 2 0 346.431 -0.552 20 0 EBADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCC2)c1 ZINC001374686077 1136801768 /nfs/dbraw/zinc/80/17/68/1136801768.db2.gz RWAOZELIKFSWSV-MRXNPFEDSA-N 2 0 348.447 -0.339 20 0 EBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000643577010 375911481 /nfs/dbraw/zinc/91/14/81/375911481.db2.gz YNFXLROKIJMJRF-UONOGXRCSA-N 2 0 325.457 -0.923 20 0 EBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000643553462 375898984 /nfs/dbraw/zinc/89/89/84/375898984.db2.gz BSXPRNNYTMWALJ-MCIONIFRSA-N 2 0 326.441 -0.450 20 0 EBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000643570002 375908012 /nfs/dbraw/zinc/90/80/12/375908012.db2.gz YGRAMSVCLLCKFH-HNNXBMFYSA-N 2 0 331.420 -0.059 20 0 EBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)C1 ZINC000643591010 375917593 /nfs/dbraw/zinc/91/75/93/375917593.db2.gz GSOGCGXHANIKJS-HUUCEWRRSA-N 2 0 337.468 -0.826 20 0 EBADRP C[NH+]1CCN(C[C@H]2CN(C[C@@H](O)CC3(O)CCC3)CCO2)CC1 ZINC000625152180 375987739 /nfs/dbraw/zinc/98/77/39/375987739.db2.gz KOJRMBQCHAYIMP-HOTGVXAUSA-N 2 0 327.469 -0.399 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CCO1 ZINC000642768952 376088760 /nfs/dbraw/zinc/08/87/60/376088760.db2.gz UTKHUQMQSSVUBE-HUBLWGQQSA-N 2 0 344.481 -0.886 20 0 EBADRP C[C@@H](CCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])[NH+]1CCCCC1 ZINC000584043642 376061491 /nfs/dbraw/zinc/06/14/91/376061491.db2.gz ZQZKIFAFIUYFGU-GJZGRUSLSA-N 2 0 339.484 -0.532 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000565882983 376226298 /nfs/dbraw/zinc/22/62/98/376226298.db2.gz XSPGTGYXHRWWFO-LSDHHAIUSA-N 2 0 339.484 -0.676 20 0 EBADRP CC(C)C[C@@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)N1CCOCC1 ZINC000569568847 376459949 /nfs/dbraw/zinc/45/99/49/376459949.db2.gz PUTLLFFLKIYQIF-ZWKOTPCHSA-N 2 0 342.528 -0.069 20 0 EBADRP COC(=O)c1cnc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cn1 ZINC000600700626 376482928 /nfs/dbraw/zinc/48/29/28/376482928.db2.gz DLDOKZYLHALEOA-CYBMUJFWSA-N 2 0 347.419 -0.093 20 0 EBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000642892963 376527956 /nfs/dbraw/zinc/52/79/56/376527956.db2.gz JRSYOKZCLDHNBA-HUUCEWRRSA-N 2 0 337.468 -0.907 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC[NH2+]C3CC3)CC2)c1 ZINC000642918855 376751983 /nfs/dbraw/zinc/75/19/83/376751983.db2.gz FIXYMKVQJAAIJY-UHFFFAOYSA-N 2 0 347.419 -0.393 20 0 EBADRP O=C(CNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)N1CC[NH2+]CC1 ZINC000562814284 376998572 /nfs/dbraw/zinc/99/85/72/376998572.db2.gz OZLXDGSMMAOFRA-GJZGRUSLSA-N 2 0 337.468 -0.018 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000562820308 377001224 /nfs/dbraw/zinc/00/12/24/377001224.db2.gz FIHVSFGEGKZRNV-AWEZNQCLSA-N 2 0 348.451 -0.175 20 0 EBADRP C[NH+](C)CC1(C(=O)NC[C@@H](CO)NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635798486 377122727 /nfs/dbraw/zinc/12/27/27/377122727.db2.gz XBBIJFLRMFKZPC-ZDUSSCGKSA-N 2 0 340.468 -0.737 20 0 EBADRP CN1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000569678089 377088200 /nfs/dbraw/zinc/08/82/00/377088200.db2.gz YAJKLXHEESOIKR-CVEARBPZSA-N 2 0 347.463 -0.493 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000572602263 377090884 /nfs/dbraw/zinc/09/08/84/377090884.db2.gz LZQWIQSBSGOAOW-STQMWFEESA-N 2 0 328.457 -0.155 20 0 EBADRP COCCOCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000635929357 377137846 /nfs/dbraw/zinc/13/78/46/377137846.db2.gz UASXOEFMELFPBT-JKSUJKDBSA-N 2 0 343.468 -0.361 20 0 EBADRP COCC[N@H+](C)C[C@H](O)CN1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000569891105 377181215 /nfs/dbraw/zinc/18/12/15/377181215.db2.gz PHOONYLBMFAVSG-HOTGVXAUSA-N 2 0 342.484 -0.836 20 0 EBADRP C[C@@H](C(=O)N1CCC[C@@H](N2CCNCC2=O)C1)N1CCN(C)CC1 ZINC000573001816 377209923 /nfs/dbraw/zinc/20/99/23/377209923.db2.gz BPHPOHJTDCSGME-LSDHHAIUSA-N 2 0 337.468 -0.955 20 0 EBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000570827628 377290216 /nfs/dbraw/zinc/29/02/16/377290216.db2.gz TWHBJMLDEYUXKN-LSDHHAIUSA-N 2 0 340.468 -0.201 20 0 EBADRP CN1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)[C@H](C[NH3+])C1 ZINC000570919188 377299780 /nfs/dbraw/zinc/29/97/80/377299780.db2.gz IBSONJAPVYZCDZ-PBHICJAKSA-N 2 0 337.468 -0.968 20 0 EBADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000580205156 377396549 /nfs/dbraw/zinc/39/65/49/377396549.db2.gz TXWZAXNSXLDCAC-QGZVFWFLSA-N 2 0 326.485 -0.167 20 0 EBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)COC1CCC([NH3+])CC1 ZINC000580070258 377350807 /nfs/dbraw/zinc/35/08/07/377350807.db2.gz WTXCLUUHWRJEPP-RUXDESIVSA-N 2 0 326.441 -0.271 20 0 EBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)COC1CCC([NH3+])CC1 ZINC000580070257 377351603 /nfs/dbraw/zinc/35/16/03/377351603.db2.gz WTXCLUUHWRJEPP-JXQTWKCFSA-N 2 0 326.441 -0.271 20 0 EBADRP COCC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000601282007 377504019 /nfs/dbraw/zinc/50/40/19/377504019.db2.gz POIOKRLXBAFGMS-OAHLLOKOSA-N 2 0 327.473 -0.358 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000636534018 377559776 /nfs/dbraw/zinc/55/97/76/377559776.db2.gz FRCSVZOKXXGMFI-HNNXBMFYSA-N 2 0 327.473 -0.622 20 0 EBADRP Cn1c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc(=O)n(C)c1=O ZINC000364719092 377648338 /nfs/dbraw/zinc/64/83/38/377648338.db2.gz SFWHCILYTXFLEI-UHFFFAOYSA-N 2 0 336.436 -0.372 20 0 EBADRP COC(=O)CNC(=O)CC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000111231232 377638564 /nfs/dbraw/zinc/63/85/64/377638564.db2.gz XGKQBSHPFIYRPJ-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP COC(=O)[C@H]1CN(C(=O)N[C@H](C)[C@H]2CN(C)CCO2)CC[N@H+](C)C1 ZINC000591175049 377702096 /nfs/dbraw/zinc/70/20/96/377702096.db2.gz YBEJXHKUTQKNMO-MGPQQGTHSA-N 2 0 342.440 -0.548 20 0 EBADRP CCOC(=O)C[C@H](O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000599328608 378230413 /nfs/dbraw/zinc/23/04/13/378230413.db2.gz AXNJCGZJVMAFIB-AWEZNQCLSA-N 2 0 329.441 -0.310 20 0 EBADRP C[N@H+](CCc1ccccc1)CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000602528537 378361910 /nfs/dbraw/zinc/36/19/10/378361910.db2.gz RUNLWLULRUABEO-HZPDHXFCSA-N 2 0 330.432 -0.069 20 0 EBADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000602524016 378361279 /nfs/dbraw/zinc/36/12/79/378361279.db2.gz JSJAAPSPRLMRMG-XHSDSOJGSA-N 2 0 345.447 -0.784 20 0 EBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCC[NH+]3CC[C@@H](O)C3)C2)CC1 ZINC000636791989 378397481 /nfs/dbraw/zinc/39/74/81/378397481.db2.gz NSPOZJAOHVASPV-GDBMZVCRSA-N 2 0 339.484 -0.479 20 0 EBADRP C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[C@H]1CN(C)CCO1 ZINC000636949482 378437401 /nfs/dbraw/zinc/43/74/01/378437401.db2.gz HSDIEVVUXBUUQS-HZSPNIEDSA-N 2 0 341.456 -0.656 20 0 EBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC[NH+]1CCCOCC1 ZINC000637171014 378512374 /nfs/dbraw/zinc/51/23/74/378512374.db2.gz GQAGSAJFTGTGOI-AWEZNQCLSA-N 2 0 341.456 -0.652 20 0 EBADRP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000337705332 378682404 /nfs/dbraw/zinc/68/24/04/378682404.db2.gz XHIFQNJUWHELJL-IRXDYDNUSA-N 2 0 336.480 -0.053 20 0 EBADRP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CCOCC[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000571013293 378753466 /nfs/dbraw/zinc/75/34/66/378753466.db2.gz PUXAQAVGSSXYCL-XJFOESAGSA-N 2 0 326.441 -0.769 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000337855540 378702518 /nfs/dbraw/zinc/70/25/18/378702518.db2.gz ZABKJKABXHSNGA-RDBSUJKOSA-N 2 0 326.441 -0.448 20 0 EBADRP CN1CCN(C(=O)CCNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000366209413 378834798 /nfs/dbraw/zinc/83/47/98/378834798.db2.gz VJBSZTHVXXLRRT-QGZVFWFLSA-N 2 0 337.468 -0.112 20 0 EBADRP C[NH+]1CCC[C@H]1CNC(=O)COCC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000112924214 378896538 /nfs/dbraw/zinc/89/65/38/378896538.db2.gz QOWUUXVUKXCWMM-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP CC[C@@H](O)CN1CCN(C(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)CC1 ZINC000339274786 378876912 /nfs/dbraw/zinc/87/69/12/378876912.db2.gz LLQVNILIKHGVHH-CABCVRRESA-N 2 0 337.424 -0.628 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCCn2ccnc2)C[C@H](C)O1 ZINC000339716506 378975755 /nfs/dbraw/zinc/97/57/55/378975755.db2.gz RKOINOXOIORTDA-OKILXGFUSA-N 2 0 337.424 -0.385 20 0 EBADRP CC(C)[NH+](CCNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)C(C)C ZINC000339612823 378956067 /nfs/dbraw/zinc/95/60/67/378956067.db2.gz GTRUOJVEVLAZPY-OAHLLOKOSA-N 2 0 341.500 -0.417 20 0 EBADRP CC[NH+]1CCC(NC(=O)CN2CCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC000051760904 379010149 /nfs/dbraw/zinc/01/01/49/379010149.db2.gz VJRHVXBWOWADJR-UHFFFAOYSA-N 2 0 339.484 -0.707 20 0 EBADRP C[C@@H]1C[C@@H](C[NH+]2CCN(S(=O)(=O)N3CCOCC3)CC2)CC[NH2+]1 ZINC000563435543 379020506 /nfs/dbraw/zinc/02/05/06/379020506.db2.gz HDEKQSWPCPOIEL-CABCVRRESA-N 2 0 346.497 -0.431 20 0 EBADRP O=C([C@@H]1CCC[N@H+](CC2CCS(=O)(=O)CC2)C1)N1CC[NH2+]CC1 ZINC000563623516 379057831 /nfs/dbraw/zinc/05/78/31/379057831.db2.gz IMTASZSKJOIYBY-OAHLLOKOSA-N 2 0 343.493 -0.045 20 0 EBADRP CN1CCN(C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@H](C[NH3+])C1 ZINC000563633648 379061570 /nfs/dbraw/zinc/06/15/70/379061570.db2.gz RRYONLVTGPNKMK-CYBMUJFWSA-N 2 0 339.484 -0.487 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629788337 379131417 /nfs/dbraw/zinc/13/14/17/379131417.db2.gz PGJFRJYVKROESO-WDEREUQCSA-N 2 0 338.374 -0.008 20 0 EBADRP CC(C)Nc1nc(NCC2([NH+](C)C)CCCC2)nc(NCCO)[nH+]1 ZINC000339967890 379112481 /nfs/dbraw/zinc/11/24/81/379112481.db2.gz NICSMDQDJQXLMK-UHFFFAOYSA-N 2 0 337.472 -0.352 20 0 EBADRP CN(CC(=O)NCC(C)(C)N1CCOCC1)[C@H]1CCC(=O)N(C)C1 ZINC000571384845 379166027 /nfs/dbraw/zinc/16/60/27/379166027.db2.gz QKCDIYAKGTZHAQ-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000629792430 379138397 /nfs/dbraw/zinc/13/83/97/379138397.db2.gz NZHOODWAWFIJOR-CQSZACIVSA-N 2 0 326.441 -0.493 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000629799860 379142546 /nfs/dbraw/zinc/14/25/46/379142546.db2.gz VPFSWDJVAXKJLI-HNNXBMFYSA-N 2 0 340.468 -0.375 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000627296871 379143641 /nfs/dbraw/zinc/14/36/41/379143641.db2.gz VSSTZVALRJGMIJ-HZSPNIEDSA-N 2 0 326.441 -0.530 20 0 EBADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000571345366 379146931 /nfs/dbraw/zinc/14/69/31/379146931.db2.gz NBLLEHGWDBQAEE-AWEZNQCLSA-N 2 0 334.420 -0.279 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000627297752 379147534 /nfs/dbraw/zinc/14/75/34/379147534.db2.gz RTYNBUPULSNSIO-CVEARBPZSA-N 2 0 348.447 -0.100 20 0 EBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000629804291 379148288 /nfs/dbraw/zinc/14/82/88/379148288.db2.gz DNFNRJDVWYAIDY-UHFFFAOYSA-N 2 0 328.457 -0.247 20 0 EBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@@H]1COC[C@H]1O ZINC000458114937 379211496 /nfs/dbraw/zinc/21/14/96/379211496.db2.gz ZKRYNVQQJPDELJ-HZPDHXFCSA-N 2 0 349.435 -0.347 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CCCO1 ZINC000571514213 379208118 /nfs/dbraw/zinc/20/81/18/379208118.db2.gz AMESWBCVVMQLBF-HNNXBMFYSA-N 2 0 338.452 -0.351 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000627300705 379210391 /nfs/dbraw/zinc/21/03/91/379210391.db2.gz JYLRFIXIZYRUPI-QLFBSQMISA-N 2 0 340.468 -0.284 20 0 EBADRP O=C(NC[C@@H]1CN(C2CC2)CCO1)NC[C@H]1CCCC[N@H+]1CCO ZINC000458805272 379234854 /nfs/dbraw/zinc/23/48/54/379234854.db2.gz XVZAUZVZPWRHLB-HZPDHXFCSA-N 2 0 340.468 -0.004 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC000458443764 379223252 /nfs/dbraw/zinc/22/32/52/379223252.db2.gz UIGMMUXPGWPEDL-CABCVRRESA-N 2 0 328.457 -0.147 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@](C)(C(N)=O)C(C)C)C1 ZINC000459454074 379249207 /nfs/dbraw/zinc/24/92/07/379249207.db2.gz BEPXURISVWUVFH-WMLDXEAASA-N 2 0 342.484 -0.051 20 0 EBADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627332822 379344054 /nfs/dbraw/zinc/34/40/54/379344054.db2.gz KZAXZEKEZXIJKN-GJZGRUSLSA-N 2 0 340.468 -0.138 20 0 EBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627312114 379304138 /nfs/dbraw/zinc/30/41/38/379304138.db2.gz PTCROBQSRXCZNG-KGLIPLIRSA-N 2 0 328.457 -0.295 20 0 EBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627312057 379304575 /nfs/dbraw/zinc/30/45/75/379304575.db2.gz NWYQZMNDQXTGDL-ZIAGYGMSSA-N 2 0 340.468 -0.153 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627313996 379311799 /nfs/dbraw/zinc/31/17/99/379311799.db2.gz RFRZYKKSGAHPJO-KCQAQPDRSA-N 3 0 337.468 -0.862 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[NH2+]1 ZINC000627334035 379350457 /nfs/dbraw/zinc/35/04/57/379350457.db2.gz DAEXHLUDPGYYBD-KGLIPLIRSA-N 2 0 339.484 -0.615 20 0 EBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)CCO1 ZINC000642056016 379539404 /nfs/dbraw/zinc/53/94/04/379539404.db2.gz NLRNUYNBFDFECK-KGLIPLIRSA-N 2 0 340.468 -0.201 20 0 EBADRP CC1(C)CC(NC(=O)C(=O)NCCOCCC[NH3+])CC(C)(C)[NH2+]1 ZINC000627390087 379579244 /nfs/dbraw/zinc/57/92/44/379579244.db2.gz BCPLBZGEKLHQLE-UHFFFAOYSA-N 2 0 328.457 -0.107 20 0 EBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000627398618 379583000 /nfs/dbraw/zinc/58/30/00/379583000.db2.gz QXKDDAGXJPKJGU-ILXRZTDVSA-N 2 0 339.484 -0.757 20 0 EBADRP [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CCOCC1 ZINC000627425348 379592955 /nfs/dbraw/zinc/59/29/55/379592955.db2.gz MUZOUTSVNPYXEJ-KBPBESRZSA-N 2 0 338.452 -0.256 20 0 EBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627428630 379595766 /nfs/dbraw/zinc/59/57/66/379595766.db2.gz KSJCZEWPQVEGAA-AWEZNQCLSA-N 2 0 340.468 -0.153 20 0 EBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627428750 379596109 /nfs/dbraw/zinc/59/61/09/379596109.db2.gz NKIZUENGDQAVHK-AWEZNQCLSA-N 2 0 328.457 -0.295 20 0 EBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N[C@H]1CCn3ccnc3C1)C2 ZINC000627356293 379563910 /nfs/dbraw/zinc/56/39/10/379563910.db2.gz DGKWSPUMPVFODO-AFAVFJNCSA-N 2 0 331.420 -0.228 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627364262 379565343 /nfs/dbraw/zinc/56/53/43/379565343.db2.gz KXZJLRUBDOXQOO-LSDHHAIUSA-N 2 0 339.484 -0.613 20 0 EBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)CCO1 ZINC000642084341 379566451 /nfs/dbraw/zinc/56/64/51/379566451.db2.gz CTYOEAKTNIHCEI-KGLIPLIRSA-N 2 0 340.468 -0.058 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000627366477 379568966 /nfs/dbraw/zinc/56/89/66/379568966.db2.gz SEEFMMSHCFVKQP-UHFFFAOYSA-N 2 0 328.457 -0.425 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000627377370 379571792 /nfs/dbraw/zinc/57/17/92/379571792.db2.gz HIMHYJJBZOKNQL-UHFFFAOYSA-N 2 0 340.468 -0.329 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000627385258 379576879 /nfs/dbraw/zinc/57/68/79/379576879.db2.gz DYCKBSQUWLRIPO-UHFFFAOYSA-N 2 0 326.441 -0.445 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)C1 ZINC000627386821 379577063 /nfs/dbraw/zinc/57/70/63/379577063.db2.gz XZRSKQKPAKQQOV-ZIAGYGMSSA-N 2 0 326.441 -0.720 20 0 EBADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NCCOCCC[NH3+] ZINC000627488702 379637063 /nfs/dbraw/zinc/63/70/63/379637063.db2.gz GRBDHMGRHJNXQT-OKILXGFUSA-N 2 0 328.457 -0.153 20 0 EBADRP CN1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H](Cc2ccccc2)C1 ZINC000627507441 379648429 /nfs/dbraw/zinc/64/84/29/379648429.db2.gz SQDZGXILKJFMHJ-HZPDHXFCSA-N 2 0 330.432 -0.150 20 0 EBADRP [NH3+]C1(CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CCOCC1 ZINC000627456017 379605844 /nfs/dbraw/zinc/60/58/44/379605844.db2.gz VPZMHGYVOBKYDC-AWEZNQCLSA-N 2 0 338.452 -0.303 20 0 EBADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627455994 379606805 /nfs/dbraw/zinc/60/68/05/379606805.db2.gz USKMFMUVKKTQSU-KBPBESRZSA-N 2 0 338.452 -0.447 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000627464167 379611942 /nfs/dbraw/zinc/61/19/42/379611942.db2.gz SPDJOUOKMFPDPL-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[NH2+]1 ZINC000627476653 379625233 /nfs/dbraw/zinc/62/52/33/379625233.db2.gz IWOUSTJLSOBICZ-KGLIPLIRSA-N 2 0 331.420 -0.013 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000631980900 379795002 /nfs/dbraw/zinc/79/50/02/379795002.db2.gz JFFVJDOJGHUNNJ-CABCVRRESA-N 2 0 330.498 -0.315 20 0 EBADRP CN(CCOCC[NH3+])C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000627091228 379803416 /nfs/dbraw/zinc/80/34/16/379803416.db2.gz KZBZDIAJZFYAKX-LLVKDONJSA-N 2 0 341.378 -0.561 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000631948519 379759272 /nfs/dbraw/zinc/75/92/72/379759272.db2.gz IHIQNZGIVGZTSI-UHFFFAOYSA-N 2 0 332.514 -0.067 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CCO1 ZINC000631907079 379771172 /nfs/dbraw/zinc/77/11/72/379771172.db2.gz CPCQWGXCGAGABQ-KBPBESRZSA-N 2 0 334.486 -0.998 20 0 EBADRP C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631924968 379781368 /nfs/dbraw/zinc/78/13/68/379781368.db2.gz JNWMHUWAYXAPQE-LSDHHAIUSA-N 2 0 331.482 -0.032 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000631931691 379785577 /nfs/dbraw/zinc/78/55/77/379785577.db2.gz MDCPCQPWAZVEFO-CABCVRRESA-N 2 0 330.498 -0.363 20 0 EBADRP C[C@@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@@]1(C)C[NH3+] ZINC000631944026 379787313 /nfs/dbraw/zinc/78/73/13/379787313.db2.gz LTWIQDVHPBVVNP-HUUCEWRRSA-N 2 0 332.514 -0.130 20 0 EBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000631943402 379787904 /nfs/dbraw/zinc/78/79/04/379787904.db2.gz VJEWMWUVAAYOBE-HNNXBMFYSA-N 2 0 339.465 -0.044 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000631938381 379787979 /nfs/dbraw/zinc/78/79/79/379787979.db2.gz BWYYKRFXQYBVJV-CQSZACIVSA-N 2 0 330.498 -0.315 20 0 EBADRP O=C(NC[C@H]1COCC[NH2+]1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000627192153 379829829 /nfs/dbraw/zinc/82/98/29/379829829.db2.gz OMAQFFLWEKXVLC-GJZGRUSLSA-N 2 0 326.441 -0.225 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cn1 ZINC000637820982 379868230 /nfs/dbraw/zinc/86/82/30/379868230.db2.gz KOTAKUXMYKPNTN-ZDUSSCGKSA-N 2 0 336.440 -0.628 20 0 EBADRP C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C[NH2+]1 ZINC000627207417 379838624 /nfs/dbraw/zinc/83/86/24/379838624.db2.gz QXOXWEUDTPEUIH-RBSFLKMASA-N 2 0 337.468 -0.020 20 0 EBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCCOCCC[NH3+])CC2)C1 ZINC000627211823 379839240 /nfs/dbraw/zinc/83/92/40/379839240.db2.gz HOLZHXAQJNZTNF-OAHLLOKOSA-N 2 0 327.473 -0.227 20 0 EBADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCCCN1CC[NH2+]CC1 ZINC000637799311 379843837 /nfs/dbraw/zinc/84/38/37/379843837.db2.gz XWAVUGOCBVUQTM-KRWDZBQOSA-N 2 0 333.480 -0.143 20 0 EBADRP C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632367857 379855292 /nfs/dbraw/zinc/85/52/92/379855292.db2.gz XSMNSKLWHVRPCU-HUUCEWRRSA-N 2 0 332.514 -0.022 20 0 EBADRP COc1cccc(C[C@H]([NH3+])C(=O)N(C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000637811141 379861422 /nfs/dbraw/zinc/86/14/22/379861422.db2.gz RAMLRJFDVCENOY-HNNXBMFYSA-N 2 0 334.420 -0.545 20 0 EBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637810518 379862351 /nfs/dbraw/zinc/86/23/51/379862351.db2.gz LTHXPRURBYFGIB-INIZCTEOSA-N 2 0 347.463 -0.664 20 0 EBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCC3([NH3+])CCOCC3)CC2)C1 ZINC000627152857 379818183 /nfs/dbraw/zinc/81/81/83/379818183.db2.gz HMLGBXKPVDCCLS-HNNXBMFYSA-N 2 0 339.484 -0.084 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627184560 379825640 /nfs/dbraw/zinc/82/56/40/379825640.db2.gz KUZZUECTTDUZRO-HNNXBMFYSA-N 3 0 329.489 -0.110 20 0 EBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000633139011 379947673 /nfs/dbraw/zinc/94/76/73/379947673.db2.gz GBAKPQAWEPHYSZ-KFWWJZLASA-N 2 0 337.468 -0.827 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)C1 ZINC000633146550 379949488 /nfs/dbraw/zinc/94/94/88/379949488.db2.gz PEAULDOQKDXJAI-RRFJBIMHSA-N 2 0 340.468 -0.106 20 0 EBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000633146451 379949680 /nfs/dbraw/zinc/94/96/80/379949680.db2.gz ORYIMHDYEVUAEQ-ZNMIVQPWSA-N 2 0 338.452 -0.495 20 0 EBADRP C[NH+](C)C[C@H](CO)NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000614850386 379995344 /nfs/dbraw/zinc/99/53/44/379995344.db2.gz XHFPXJRWIJLKCA-OAHLLOKOSA-N 2 0 335.452 -0.368 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C)N2CCNCC2=O)C1 ZINC000638054387 380068518 /nfs/dbraw/zinc/06/85/18/380068518.db2.gz CBPFGWJJICYPMQ-KBPBESRZSA-N 2 0 326.441 -0.720 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)N2CCNCC2=O)C1 ZINC000638054388 380069210 /nfs/dbraw/zinc/06/92/10/380069210.db2.gz CBPFGWJJICYPMQ-KGLIPLIRSA-N 2 0 326.441 -0.720 20 0 EBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000354757678 380094159 /nfs/dbraw/zinc/09/41/59/380094159.db2.gz SLCRJEBOJAOHKX-GJZGRUSLSA-N 2 0 338.452 -0.575 20 0 EBADRP COC[C@]1(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCCC[NH2+]1 ZINC000638089335 380114949 /nfs/dbraw/zinc/11/49/49/380114949.db2.gz NXUFYTKCVQNBOP-YOEHRIQHSA-N 2 0 340.468 -0.151 20 0 EBADRP O=C(CN1CCC[NH2+]CC1)NCc1cn(CC[NH+]2CCCC2)nn1 ZINC000630618097 380120753 /nfs/dbraw/zinc/12/07/53/380120753.db2.gz MWQGNSKEXDSQIS-UHFFFAOYSA-N 2 0 335.456 -0.715 20 0 EBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000638096827 380128529 /nfs/dbraw/zinc/12/85/29/380128529.db2.gz NELQXVWCZBIBQT-VBQJREDUSA-N 2 0 340.468 -0.188 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638098969 380130095 /nfs/dbraw/zinc/13/00/95/380130095.db2.gz QVLFXSINPYUIMF-RHSMWYFYSA-N 2 0 340.468 -0.234 20 0 EBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000638117998 380168036 /nfs/dbraw/zinc/16/80/36/380168036.db2.gz QEPFTGDCXVEAME-ZOBUZTSGSA-N 2 0 340.468 -0.724 20 0 EBADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCCN1CC[NH+](C)CC1 ZINC000638135503 380194762 /nfs/dbraw/zinc/19/47/62/380194762.db2.gz CAVOWFWYOUSBOS-KRWDZBQOSA-N 2 0 333.480 -0.191 20 0 EBADRP C[NH+]1CCN(c2ccc(CNC(=O)CN3CC[NH2+]CC3)cn2)CC1 ZINC000638136650 380200715 /nfs/dbraw/zinc/20/07/15/380200715.db2.gz JXTYNCYFJOJMTE-UHFFFAOYSA-N 2 0 332.452 -0.645 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638138830 380202529 /nfs/dbraw/zinc/20/25/29/380202529.db2.gz HHLRNWKNAFHUKM-IRXDYDNUSA-N 2 0 333.480 -0.192 20 0 EBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000340213502 380262370 /nfs/dbraw/zinc/26/23/70/380262370.db2.gz GTURBQYNPVOKRU-CQSZACIVSA-N 2 0 328.457 -0.471 20 0 EBADRP Cc1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000551192473 380263621 /nfs/dbraw/zinc/26/36/21/380263621.db2.gz ZPHFSFSGZFQSKG-UHFFFAOYSA-N 2 0 335.452 -0.042 20 0 EBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000551170673 380264029 /nfs/dbraw/zinc/26/40/29/380264029.db2.gz VTYMVVSIEIBVGI-HNNXBMFYSA-N 2 0 341.500 -0.413 20 0 EBADRP [NH3+]C[C@@]1(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCCOC1 ZINC000638219756 380288992 /nfs/dbraw/zinc/28/89/92/380288992.db2.gz LEQJNZCEXULNDO-AAEUAGOBSA-N 2 0 338.374 -0.306 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000564430386 380372785 /nfs/dbraw/zinc/37/27/85/380372785.db2.gz COQYMAOJTCEMFZ-HZPDHXFCSA-N 2 0 339.484 -0.214 20 0 EBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000564827216 380380608 /nfs/dbraw/zinc/38/06/08/380380608.db2.gz GCYUDWLRYCELLX-CQSZACIVSA-N 2 0 325.457 -0.968 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000340254645 380349570 /nfs/dbraw/zinc/34/95/70/380349570.db2.gz LNQGJMPDYUUSPP-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CCOCCCNC(=O)[C@@H](C)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000362835919 380436785 /nfs/dbraw/zinc/43/67/85/380436785.db2.gz BUEXCHFFMAWJGD-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](CN1CCOCC1)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000153516793 380439433 /nfs/dbraw/zinc/43/94/33/380439433.db2.gz OHXUVVRHNVJNKG-OAHLLOKOSA-N 3 0 329.489 -0.158 20 0 EBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362567534 380412123 /nfs/dbraw/zinc/41/21/23/380412123.db2.gz INXRBPZGYQXCLW-STQMWFEESA-N 2 0 348.451 -0.196 20 0 EBADRP O=C(CN1CC[NH2+]CC1)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000638338941 380416153 /nfs/dbraw/zinc/41/61/53/380416153.db2.gz IRLCKBKYHBFVRP-UHFFFAOYSA-N 2 0 347.463 -0.186 20 0 EBADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000565488450 380421814 /nfs/dbraw/zinc/42/18/14/380421814.db2.gz JVTSQINIFZVEMU-NWDGAFQWSA-N 2 0 334.424 -0.365 20 0 EBADRP O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638485957 380486561 /nfs/dbraw/zinc/48/65/61/380486561.db2.gz MOPWDKUHXAGCLC-CABCVRRESA-N 2 0 335.452 -0.314 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340482307 380512319 /nfs/dbraw/zinc/51/23/19/380512319.db2.gz FPPROKSYLVYYMF-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP Cn1nccc1N1CCC[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000566556980 380479671 /nfs/dbraw/zinc/47/96/71/380479671.db2.gz WEGMEJICLOUKBC-HOTGVXAUSA-N 2 0 336.484 -0.413 20 0 EBADRP O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638480276 380482281 /nfs/dbraw/zinc/48/22/81/380482281.db2.gz KASWFNLOHFLKJA-JKSUJKDBSA-N 2 0 349.479 -0.209 20 0 EBADRP CCOC1CC(CNC(=O)[C@H]2CN(C)CCO2)(N2CCOCC2)C1 ZINC000368913266 380531623 /nfs/dbraw/zinc/53/16/23/380531623.db2.gz KNUFXMDVOSZHFM-ISXOHVOVSA-N 2 0 341.452 -0.297 20 0 EBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000567645102 380534122 /nfs/dbraw/zinc/53/41/22/380534122.db2.gz IZPYHWUEOBPTOB-CQSZACIVSA-N 3 0 327.473 -0.851 20 0 EBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@]3(c4ccccc4)CC[NH2+]C3)CCN2C1=O ZINC000568109016 380573617 /nfs/dbraw/zinc/57/36/17/380573617.db2.gz WKJCODWJQGRFOU-RKVPGOIHSA-N 2 0 328.416 -0.312 20 0 EBADRP Cc1nccn1CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000567496901 380521475 /nfs/dbraw/zinc/52/14/75/380521475.db2.gz WJWSYBCCOWONER-UHFFFAOYSA-N 2 0 338.456 -0.740 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000569211776 380633691 /nfs/dbraw/zinc/63/36/91/380633691.db2.gz HOFXMDKMINVOMC-QGZVFWFLSA-N 2 0 339.484 -0.850 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000340802977 380635336 /nfs/dbraw/zinc/63/53/36/380635336.db2.gz RSESLCQRMKHQQN-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000569240898 380635522 /nfs/dbraw/zinc/63/55/22/380635522.db2.gz XTYQPQLINBMLBB-GJZGRUSLSA-N 2 0 329.489 -0.199 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000340793390 380626552 /nfs/dbraw/zinc/62/65/52/380626552.db2.gz GZQAGZYMTVBLLF-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP CS(=O)(=O)CC1(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000573207388 380663904 /nfs/dbraw/zinc/66/39/04/380663904.db2.gz RZLBQCVGDQYPNK-CQSZACIVSA-N 2 0 343.493 -0.045 20 0 EBADRP C[C@@H](CNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)[NH+](C)C ZINC000418260430 380664088 /nfs/dbraw/zinc/66/40/88/380664088.db2.gz PDAOSUFPFFANQQ-UONOGXRCSA-N 2 0 325.457 -0.210 20 0 EBADRP CN1CC[NH+](CC2(C)CC[NH+](CCNS(C)(=O)=O)CC2)CC1 ZINC000371778594 380671756 /nfs/dbraw/zinc/67/17/56/380671756.db2.gz SCAUVJKQIJIFHI-UHFFFAOYSA-N 2 0 332.514 -0.115 20 0 EBADRP COC[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000573807111 380687166 /nfs/dbraw/zinc/68/71/66/380687166.db2.gz FQCQBXJSGPRYEG-AWEZNQCLSA-N 2 0 328.457 -0.567 20 0 EBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000574040549 380698123 /nfs/dbraw/zinc/69/81/23/380698123.db2.gz OBODDBYQUPVSBG-CHWSQXEVSA-N 2 0 327.473 -0.629 20 0 EBADRP CN(C(=O)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C1CCCCC1 ZINC000574151828 380702232 /nfs/dbraw/zinc/70/22/32/380702232.db2.gz TUMRYYMIGWMXOD-INIZCTEOSA-N 2 0 326.485 -0.025 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000573091004 380658516 /nfs/dbraw/zinc/65/85/16/380658516.db2.gz SSXDAJDBTUSTHH-KKUMJFAQSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCS1 ZINC000574617446 380717117 /nfs/dbraw/zinc/71/71/17/380717117.db2.gz IUIXOWZYFIAJLS-CYBMUJFWSA-N 2 0 330.498 -0.098 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000341623049 380720803 /nfs/dbraw/zinc/72/08/03/380720803.db2.gz XIQGAZFFSUAETO-CABCVRRESA-N 2 0 340.468 -0.342 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000341647375 380725457 /nfs/dbraw/zinc/72/54/57/380725457.db2.gz VCJRNJGDOZUKAX-ZIAGYGMSSA-N 2 0 326.441 -0.589 20 0 EBADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000575195942 380734285 /nfs/dbraw/zinc/73/42/85/380734285.db2.gz AIZFTDCGONDNEC-ZNMIVQPWSA-N 2 0 338.452 -0.450 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)NC[C@@](C)(O)C[NH+](C)C)CC1 ZINC000121325509 380734753 /nfs/dbraw/zinc/73/47/53/380734753.db2.gz KJIDMXMTPRXZMX-MRXNPFEDSA-N 2 0 329.489 -0.376 20 0 EBADRP C[C@@H](CCNC(=O)NCC(=O)N1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000575853198 380748374 /nfs/dbraw/zinc/74/83/74/380748374.db2.gz IUQBGWKVHISIBR-AWEZNQCLSA-N 2 0 325.457 -0.018 20 0 EBADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])C(C)C ZINC000576493498 380774426 /nfs/dbraw/zinc/77/44/26/380774426.db2.gz HAJSWXBISGOKBK-OAHLLOKOSA-N 2 0 341.500 -0.287 20 0 EBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@]3(C[NH3+])CCCOC3)CC2)C1=O ZINC000638856683 380775213 /nfs/dbraw/zinc/77/52/13/380775213.db2.gz RDSWYKDETLQRBZ-YOEHRIQHSA-N 2 0 338.452 -0.447 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000416863199 380794308 /nfs/dbraw/zinc/79/43/08/380794308.db2.gz GURWQDSZQJBFIG-MRXNPFEDSA-N 2 0 341.500 -0.062 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000577084739 380801952 /nfs/dbraw/zinc/80/19/52/380801952.db2.gz FZKKEETUDZHNRA-ZIAGYGMSSA-N 2 0 325.457 -0.922 20 0 EBADRP C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC[N@@H+]1CC(C)(C)O ZINC000577368229 380817940 /nfs/dbraw/zinc/81/79/40/380817940.db2.gz HXTBWCGVBZXWMD-ZIAGYGMSSA-N 2 0 327.473 -0.623 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000577741464 380839099 /nfs/dbraw/zinc/83/90/99/380839099.db2.gz MKAHGDJZBQCOSX-INIZCTEOSA-N 2 0 338.452 -0.053 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](O)C(C)(C)C1 ZINC000577825152 380845594 /nfs/dbraw/zinc/84/55/94/380845594.db2.gz IZRXMJOZNLHXLR-CQSZACIVSA-N 2 0 342.484 -0.442 20 0 EBADRP CC[NH+]1CCC(CNC(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000577875515 380851331 /nfs/dbraw/zinc/85/13/31/380851331.db2.gz IIXWCPFDTVCWAZ-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP CN1CC(=O)N(CC(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)C1=O ZINC000638987688 380856744 /nfs/dbraw/zinc/85/67/44/380856744.db2.gz WJTJSXOHDDFULY-UHFFFAOYSA-N 2 0 332.364 -0.676 20 0 EBADRP CC[C@H]1CN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC[N@@H+]1CCOC ZINC000580704535 380895912 /nfs/dbraw/zinc/89/59/12/380895912.db2.gz JEBURLFZVUBAEF-LSDHHAIUSA-N 2 0 327.473 -0.358 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)N1CCOCC1 ZINC000129734102 380912407 /nfs/dbraw/zinc/91/24/07/380912407.db2.gz XKIBOHLTNLASGZ-HNNXBMFYSA-N 2 0 348.513 -0.089 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000579353985 380984875 /nfs/dbraw/zinc/98/48/75/380984875.db2.gz NSGMDSMLQYPXAA-KBPBESRZSA-N 3 0 341.500 -0.287 20 0 EBADRP Cn1cc(N2CCC[C@@H]([NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)C2)cn1 ZINC000579222680 380977920 /nfs/dbraw/zinc/97/79/20/380977920.db2.gz DCAZMRQMZAFBEQ-NVXWUHKLSA-N 2 0 336.484 -0.413 20 0 EBADRP [NH3+]C1(CNC(=O)C[C@@]2(C(=O)NCC3([NH3+])CCC3)CC[NH2+]C2)CCC1 ZINC000578533331 380938065 /nfs/dbraw/zinc/93/80/65/380938065.db2.gz FONQOUGUEDWFQR-HNNXBMFYSA-N 3 0 337.468 -0.649 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(C)C[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000581000879 381048568 /nfs/dbraw/zinc/04/85/68/381048568.db2.gz VVKLGYPTQVLKIB-ZNMIVQPWSA-N 2 0 327.473 -0.230 20 0 EBADRP C[C@H](CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])C[NH+]1CCN(C)CC1 ZINC000582606747 381053792 /nfs/dbraw/zinc/05/37/92/381053792.db2.gz UHMHHPHBTVVNQG-HZSPNIEDSA-N 2 0 327.473 -0.772 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1CCOCC1 ZINC000582680456 381057474 /nfs/dbraw/zinc/05/74/74/381057474.db2.gz RPECJBXPLCQANT-UHFFFAOYSA-N 2 0 328.457 -0.519 20 0 EBADRP C[NH2+]C[C@@H](C)CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418388742 381119735 /nfs/dbraw/zinc/11/97/35/381119735.db2.gz NOURJVBDPWUFIZ-MNOVXSKESA-N 2 0 325.379 -0.023 20 0 EBADRP C[C@@]12C[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)C[C@@]1(C)C(=O)NC2=O ZINC000639944985 381154003 /nfs/dbraw/zinc/15/40/03/381154003.db2.gz HADMVJDCYJZLRY-ROUUACIJSA-N 2 0 348.447 -0.286 20 0 EBADRP COC[C@@](C)(CO)[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000639953438 381156918 /nfs/dbraw/zinc/15/69/18/381156918.db2.gz XEHQTFAERGPDMM-GOEBONIOSA-N 2 0 331.457 -0.554 20 0 EBADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000418391389 381123848 /nfs/dbraw/zinc/12/38/48/381123848.db2.gz VKKOLSOCEPVMOP-CVEARBPZSA-N 2 0 347.463 -0.063 20 0 EBADRP C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000347231576 381189039 /nfs/dbraw/zinc/18/90/39/381189039.db2.gz NSCZRYSZWBFZFL-HUUCEWRRSA-N 2 0 340.468 -0.688 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000418404332 381203251 /nfs/dbraw/zinc/20/32/51/381203251.db2.gz QEFWSSZDKNAYNH-AWEZNQCLSA-N 2 0 325.457 -0.081 20 0 EBADRP CC(C)C[C@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C(=O)NCC[NH+](C)C ZINC000418673390 381254385 /nfs/dbraw/zinc/25/43/85/381254385.db2.gz OSRKSCSLMYAOFF-RFQIPJPRSA-N 2 0 325.457 -0.404 20 0 EBADRP CC[N@H+](CCO)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000347440267 381221125 /nfs/dbraw/zinc/22/11/25/381221125.db2.gz ZFZXYAMSFHUEDI-CVEARBPZSA-N 2 0 342.484 -0.022 20 0 EBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1cccs1 ZINC000418836499 381290874 /nfs/dbraw/zinc/29/08/74/381290874.db2.gz RHJMBHWRRCNBIR-RYUDHWBXSA-N 2 0 340.449 -0.347 20 0 EBADRP C[NH+](C)[C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)c1cccs1 ZINC000418836606 381295318 /nfs/dbraw/zinc/29/53/18/381295318.db2.gz RQIDERACKYESCS-LLVKDONJSA-N 2 0 328.438 -0.753 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000418841489 381296654 /nfs/dbraw/zinc/29/66/54/381296654.db2.gz GNVSDBJXHJXGHJ-CVEARBPZSA-N 2 0 346.431 -0.437 20 0 EBADRP CN(C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347960564 381296757 /nfs/dbraw/zinc/29/67/57/381296757.db2.gz HTCWFLFKFBIDNL-LSDHHAIUSA-N 2 0 337.468 -0.957 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000418841492 381297839 /nfs/dbraw/zinc/29/78/39/381297839.db2.gz GNVSDBJXHJXGHJ-HOTGVXAUSA-N 2 0 346.431 -0.437 20 0 EBADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CCCC1 ZINC000418796272 381275419 /nfs/dbraw/zinc/27/54/19/381275419.db2.gz DPXNRVLHLNGGRK-ZDUSSCGKSA-N 2 0 326.441 -0.589 20 0 EBADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)([NH+](C)C)C1 ZINC000418925025 381341890 /nfs/dbraw/zinc/34/18/90/381341890.db2.gz PVYGSMQEIHIIBU-KEYYUXOJSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[C@@H](C)[NH2+]1 ZINC000643478743 381327386 /nfs/dbraw/zinc/32/73/86/381327386.db2.gz AMKPIPFMSAFKRQ-ZIAGYGMSSA-N 2 0 331.420 -0.061 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000418929175 381342229 /nfs/dbraw/zinc/34/22/29/381342229.db2.gz WOJYJOSWQFUHJQ-QLFBSQMISA-N 2 0 338.452 -0.863 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000418926564 381342399 /nfs/dbraw/zinc/34/23/99/381342399.db2.gz RRQLWSDXQGEJLX-KGLIPLIRSA-N 2 0 326.441 -0.591 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000418929812 381342419 /nfs/dbraw/zinc/34/24/19/381342419.db2.gz XAWCTPXIUZNNHV-ILXRZTDVSA-N 2 0 338.452 -0.720 20 0 EBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000418929112 381342435 /nfs/dbraw/zinc/34/24/35/381342435.db2.gz VXXVAWFCNKPFTK-LSDHHAIUSA-N 2 0 342.484 -0.051 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000418920476 381340751 /nfs/dbraw/zinc/34/07/51/381340751.db2.gz KZUXXBLUPZDNRP-MGPQQGTHSA-N 2 0 326.441 -0.735 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000418929176 381341046 /nfs/dbraw/zinc/34/10/46/381341046.db2.gz WOJYJOSWQFUHJQ-ZNMIVQPWSA-N 2 0 338.452 -0.863 20 0 EBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000418936291 381344291 /nfs/dbraw/zinc/34/42/91/381344291.db2.gz NFLMGRCBVVYCCV-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000418914340 381346591 /nfs/dbraw/zinc/34/65/91/381346591.db2.gz FHKPTGPZEVKAJT-ZIAGYGMSSA-N 2 0 326.441 -0.687 20 0 EBADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000418991097 381349124 /nfs/dbraw/zinc/34/91/24/381349124.db2.gz DKQRWCNSDWEZKJ-CQSZACIVSA-N 2 0 326.441 -0.589 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)Cc1ccccc1 ZINC000418949573 381350587 /nfs/dbraw/zinc/35/05/87/381350587.db2.gz UZGOLMYDCUEALB-INIZCTEOSA-N 2 0 348.447 -0.271 20 0 EBADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000419020959 381355650 /nfs/dbraw/zinc/35/56/50/381355650.db2.gz GMZGOQQQYDTOMB-CYBMUJFWSA-N 2 0 328.457 -0.607 20 0 EBADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000419028051 381357680 /nfs/dbraw/zinc/35/76/80/381357680.db2.gz PTILXXJGEKKOHI-ZIAGYGMSSA-N 2 0 340.468 -0.282 20 0 EBADRP C[N@H+](CCCNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000419008473 381360103 /nfs/dbraw/zinc/36/01/03/381360103.db2.gz VSAVLGXGPOVTAI-MRXNPFEDSA-N 2 0 348.447 -0.189 20 0 EBADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000418995468 381360117 /nfs/dbraw/zinc/36/01/17/381360117.db2.gz IYFYPTPDGGFUBZ-OAHLLOKOSA-N 2 0 340.468 -0.199 20 0 EBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419084657 381364320 /nfs/dbraw/zinc/36/43/20/381364320.db2.gz YXWVCZITPVKMSD-CABCVRRESA-N 2 0 340.468 -0.057 20 0 EBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419084659 381364841 /nfs/dbraw/zinc/36/48/41/381364841.db2.gz YXWVCZITPVKMSD-GJZGRUSLSA-N 2 0 340.468 -0.057 20 0 EBADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419125284 381384525 /nfs/dbraw/zinc/38/45/25/381384525.db2.gz SXHNRKGBFKZTSQ-CABCVRRESA-N 2 0 340.468 -0.057 20 0 EBADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419123864 381384562 /nfs/dbraw/zinc/38/45/62/381384562.db2.gz QHUSRTUOSCBYRD-KBPBESRZSA-N 2 0 326.441 -0.447 20 0 EBADRP CN(CC[NH3+])C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419168984 381390924 /nfs/dbraw/zinc/39/09/24/381390924.db2.gz TWNDQKKYVQTNKP-INIZCTEOSA-N 2 0 348.447 -0.189 20 0 EBADRP C[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[NH+]1CCC(C)CC1 ZINC000419171273 381393683 /nfs/dbraw/zinc/39/36/83/381393683.db2.gz OSUKSJPKQAILEL-OAHLLOKOSA-N 2 0 339.484 -0.756 20 0 EBADRP [NH3+]CCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419172747 381393788 /nfs/dbraw/zinc/39/37/88/381393788.db2.gz ZXFFAGHCXYRXNU-HNNXBMFYSA-N 2 0 334.420 -0.531 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000419144506 381395908 /nfs/dbraw/zinc/39/59/08/381395908.db2.gz FKLCKFGBUXAPJV-CABCVRRESA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000419144508 381395983 /nfs/dbraw/zinc/39/59/83/381395983.db2.gz FKLCKFGBUXAPJV-HUUCEWRRSA-N 2 0 340.468 -0.201 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419540734 381450239 /nfs/dbraw/zinc/45/02/39/381450239.db2.gz QVRFROJQJNOOSO-ZDUSSCGKSA-N 2 0 326.441 -0.576 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419535024 381450259 /nfs/dbraw/zinc/45/02/59/381450259.db2.gz KQUXJSYMSVBFEU-KGLIPLIRSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419413989 381431684 /nfs/dbraw/zinc/43/16/84/381431684.db2.gz DRNVPKUBQHECNX-KBPBESRZSA-N 2 0 326.441 -0.447 20 0 EBADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419474078 381445966 /nfs/dbraw/zinc/44/59/66/381445966.db2.gz BKWZMWKOYXVKBA-HUUCEWRRSA-N 2 0 340.468 -0.057 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000419537365 381451361 /nfs/dbraw/zinc/45/13/61/381451361.db2.gz NEAKSFQOAMVDGW-MJBXVCDLSA-N 2 0 326.441 -0.672 20 0 EBADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419532767 381449245 /nfs/dbraw/zinc/44/92/45/381449245.db2.gz NLUGZPCZUWFHQN-GOEBONIOSA-N 2 0 348.447 -0.597 20 0 EBADRP CO[C@H]1CCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)[C@H](C[NH3+])C1 ZINC000419691215 381472272 /nfs/dbraw/zinc/47/22/72/381472272.db2.gz DVEIKHZLLHPENZ-GJZGRUSLSA-N 2 0 340.468 -0.058 20 0 EBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000419691905 381473146 /nfs/dbraw/zinc/47/31/46/381473146.db2.gz AVGPIEBEHLULJQ-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP CO[C@@H]1CCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)[C@@H](C[NH3+])C1 ZINC000419691216 381473812 /nfs/dbraw/zinc/47/38/12/381473812.db2.gz DVEIKHZLLHPENZ-HUUCEWRRSA-N 2 0 340.468 -0.058 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000419702381 381475827 /nfs/dbraw/zinc/47/58/27/381475827.db2.gz BJJBNNWUDFYOGL-IHRRRGAJSA-N 2 0 326.441 -0.543 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000419724857 381481222 /nfs/dbraw/zinc/48/12/22/381481222.db2.gz HPLDSVLLIPVZTQ-GJZGRUSLSA-N 2 0 340.468 -0.153 20 0 EBADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C[C@H]1C[NH3+] ZINC000419590182 381460159 /nfs/dbraw/zinc/46/01/59/381460159.db2.gz SZHWYAMFUHTTQM-XJKCOSOUSA-N 2 0 342.509 -0.017 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CCSC1 ZINC000419593264 381461701 /nfs/dbraw/zinc/46/17/01/381461701.db2.gz XUBUJOAFIMAVNR-DOMZBBRYSA-N 2 0 328.482 -0.202 20 0 EBADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000419661723 381466727 /nfs/dbraw/zinc/46/67/27/381466727.db2.gz MYHQIYDPTRINFT-OAHLLOKOSA-N 2 0 348.447 -0.155 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000419672102 381468750 /nfs/dbraw/zinc/46/87/50/381468750.db2.gz GFPOIYKWSVDUAT-CQSZACIVSA-N 2 0 342.484 -0.035 20 0 EBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419870032 381515650 /nfs/dbraw/zinc/51/56/50/381515650.db2.gz NYGVUBUYKMBZKL-LSDHHAIUSA-N 2 0 339.484 -0.613 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419775222 381490476 /nfs/dbraw/zinc/49/04/76/381490476.db2.gz KTFJJUUZVMFFOG-AWEZNQCLSA-N 2 0 328.457 -0.295 20 0 EBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417885226 381491930 /nfs/dbraw/zinc/49/19/30/381491930.db2.gz YAOIXASPUVOWDK-UMVBOHGHSA-N 2 0 337.468 -0.034 20 0 EBADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419782055 381494406 /nfs/dbraw/zinc/49/44/06/381494406.db2.gz STERVWBTAZPBJB-OLZOCXBDSA-N 2 0 326.441 -0.672 20 0 EBADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419783969 381494477 /nfs/dbraw/zinc/49/44/77/381494477.db2.gz WCMIKOCWUQRGLU-UONOGXRCSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000419807131 381497608 /nfs/dbraw/zinc/49/76/08/381497608.db2.gz IISOVGXAOPFBGK-HZPDHXFCSA-N 2 0 348.447 -0.018 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000419971404 381521546 /nfs/dbraw/zinc/52/15/46/381521546.db2.gz GHBHSGIUKKNCAK-HUUCEWRRSA-N 2 0 340.468 -0.343 20 0 EBADRP CCOCCN1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000419973706 381523449 /nfs/dbraw/zinc/52/34/49/381523449.db2.gz IBDILQGBVWZTTM-OAHLLOKOSA-N 2 0 340.468 -0.327 20 0 EBADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NC[C@H]1CCCO1 ZINC000420300820 381579490 /nfs/dbraw/zinc/57/94/90/381579490.db2.gz VFHAQHWUPIVTQF-LSDHHAIUSA-N 2 0 338.452 -0.575 20 0 EBADRP CNS(=O)(=O)C[C@@H]1CCCN1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420306608 381579602 /nfs/dbraw/zinc/57/96/02/381579602.db2.gz QMYKLDSVSAVOSH-JYJNAYRXSA-N 2 0 341.477 -0.069 20 0 EBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000420415991 381584073 /nfs/dbraw/zinc/58/40/73/381584073.db2.gz BQPNRXPHKDTCIR-ITGUQSILSA-N 2 0 327.454 -0.442 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000420179357 381562451 /nfs/dbraw/zinc/56/24/51/381562451.db2.gz BMLWOCVPSPAIJM-KFWWJZLASA-N 2 0 340.468 -0.282 20 0 EBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420199627 381569371 /nfs/dbraw/zinc/56/93/71/381569371.db2.gz WTTAPMJBYFUEMK-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCCO[C@@H](C[NH3+])C2)C1 ZINC000420392021 381584520 /nfs/dbraw/zinc/58/45/20/381584520.db2.gz PCMCXKDOZPQZFR-HOTGVXAUSA-N 2 0 342.484 -0.491 20 0 EBADRP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420421250 381585956 /nfs/dbraw/zinc/58/59/56/381585956.db2.gz YPFAHVSYTFDRHW-OUAUKWLOSA-N 2 0 337.424 -0.846 20 0 EBADRP CSCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000167412822 381624430 /nfs/dbraw/zinc/62/44/30/381624430.db2.gz BRPUZRAXARCUON-CYBMUJFWSA-N 2 0 328.482 -0.167 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000572037878 381637440 /nfs/dbraw/zinc/63/74/40/381637440.db2.gz ABRWMCKUWVGUHG-CVEARBPZSA-N 2 0 341.427 -0.237 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351524089 381637816 /nfs/dbraw/zinc/63/78/16/381637816.db2.gz PWTBXCNLLPZMME-KBPBESRZSA-N 2 0 326.441 -0.672 20 0 EBADRP CCOCC[N@@H+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[C@@H]1CC ZINC000351555108 381643722 /nfs/dbraw/zinc/64/37/22/381643722.db2.gz KLTKURLGMZJPPL-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000572228469 381651191 /nfs/dbraw/zinc/65/11/91/381651191.db2.gz XKIJWRHIVHUCEN-LSDHHAIUSA-N 3 0 341.500 -0.558 20 0 EBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000332046659 381742039 /nfs/dbraw/zinc/74/20/39/381742039.db2.gz KPOSTLLEVLJNAH-ZIAGYGMSSA-N 2 0 338.452 -0.434 20 0 EBADRP CN(C(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000331863746 381724701 /nfs/dbraw/zinc/72/47/01/381724701.db2.gz KZHICZBYSACYBF-GJZGRUSLSA-N 2 0 338.452 -0.746 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000626871687 381908454 /nfs/dbraw/zinc/90/84/54/381908454.db2.gz FJOWILXMYWAPJJ-UHFFFAOYSA-N 2 0 346.391 -0.100 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH+]2CCCC2)CCO1 ZINC000643514916 382010289 /nfs/dbraw/zinc/01/02/89/382010289.db2.gz GAOIFTFDKLZTME-KBPBESRZSA-N 2 0 326.441 -0.495 20 0 EBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000643536191 382050607 /nfs/dbraw/zinc/05/06/07/382050607.db2.gz NRNQBFFYSUIYTI-GJZGRUSLSA-N 2 0 340.468 -0.105 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCC[N@@H+]1C ZINC000418013893 382066749 /nfs/dbraw/zinc/06/67/49/382066749.db2.gz ZZIUZDMHAFNAFF-MCIONIFRSA-N 2 0 325.457 -0.034 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000430560148 382022122 /nfs/dbraw/zinc/02/21/22/382022122.db2.gz VJMANVUOSFHKMC-NWDGAFQWSA-N 2 0 334.424 -0.507 20 0 EBADRP CN(C)c1ncnc2c1cc(C(=O)NCC[N@@H+]1CC[C@@H](O)C1)n2C ZINC000629171890 382079244 /nfs/dbraw/zinc/07/92/44/382079244.db2.gz FOLLVDUFMREFQL-LLVKDONJSA-N 2 0 332.408 -0.169 20 0 EBADRP C[NH+](C)[C@H]1CCN(C(=O)COCC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000105600181 382095138 /nfs/dbraw/zinc/09/51/38/382095138.db2.gz MNGRPWCRSQSPQI-KBPBESRZSA-N 2 0 326.441 -0.672 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cn1 ZINC000444269791 382145688 /nfs/dbraw/zinc/14/56/88/382145688.db2.gz NKBIDMFGZBNKPH-CZUORRHYSA-N 2 0 334.424 -0.501 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000355142482 285019422 /nfs/dbraw/zinc/01/94/22/285019422.db2.gz WSSYSQXNJDDIEZ-UKRRQHHQSA-N 2 0 338.452 -0.434 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C)CC[C@@H]1C ZINC000341524628 285031850 /nfs/dbraw/zinc/03/18/50/285031850.db2.gz AVIBZFFYYKVHNH-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000669228330 545827398 /nfs/dbraw/zinc/82/73/98/545827398.db2.gz MJGNJLFRNWNYIF-CYBMUJFWSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCN(CC(=O)NC)CC1 ZINC000173913799 154103853 /nfs/dbraw/zinc/10/38/53/154103853.db2.gz IIBJTXFVKOFBAV-AWEZNQCLSA-N 2 0 325.457 -0.020 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[NH2+]CCOC)CC1=O ZINC000236838340 154169402 /nfs/dbraw/zinc/16/94/02/154169402.db2.gz PQDQNGSANCBWBS-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]3C[NH2+]CCO3)CC2)C1 ZINC000246578172 154184344 /nfs/dbraw/zinc/18/43/44/154184344.db2.gz VLDOJDRYEABCKF-JKSUJKDBSA-N 2 0 340.468 -0.772 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261647058 154196348 /nfs/dbraw/zinc/19/63/48/154196348.db2.gz JEKDUPIOTNKZEX-YNEHKIRRSA-N 2 0 339.440 -0.589 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261808198 154201998 /nfs/dbraw/zinc/20/19/98/154201998.db2.gz VLWYTEDSDFSYTF-GFCCVEGCSA-N 2 0 327.429 -0.745 20 0 EBADRP CCN(C1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1)S(C)(=O)=O ZINC000262003484 154207746 /nfs/dbraw/zinc/20/77/46/154207746.db2.gz DUUZHERQYCZSPI-UHFFFAOYSA-N 2 0 346.497 -0.446 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000263242300 154255821 /nfs/dbraw/zinc/25/58/21/154255821.db2.gz LPCZJDCTEVCHGV-ZFWWWQNUSA-N 2 0 326.441 -0.733 20 0 EBADRP CNC(=O)N[C@@H]1CC[NH+](C/C=C/C[N@H+]2CC[C@@H](NC(=O)NC)C2)C1 ZINC000342339766 156028068 /nfs/dbraw/zinc/02/80/68/156028068.db2.gz PUEHGGLDAOBTMZ-LSMGEYOZSA-N 2 0 338.456 -0.451 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000343015247 156085070 /nfs/dbraw/zinc/08/50/70/156085070.db2.gz OEYOWWISZXRXOZ-AWEZNQCLSA-N 2 0 338.452 -0.434 20 0 EBADRP CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000343097778 156096498 /nfs/dbraw/zinc/09/64/98/156096498.db2.gz OLJCMAOESMEAFW-OAHLLOKOSA-N 2 0 340.468 -0.593 20 0 EBADRP C[N@H+](CC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O)[C@H]1CCSC1 ZINC000343572583 156143863 /nfs/dbraw/zinc/14/38/63/156143863.db2.gz FDPPXVVDMLXELQ-QWHCGFSZSA-N 2 0 328.482 -0.120 20 0 EBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000343824177 156171175 /nfs/dbraw/zinc/17/11/75/156171175.db2.gz ARORLTSCNKRHAJ-CABCVRRESA-N 2 0 340.468 -0.105 20 0 EBADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+](CCOC)C2)C1 ZINC000343882615 156177999 /nfs/dbraw/zinc/17/79/99/156177999.db2.gz DWCHDOMBEJRBLM-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000343892823 156180669 /nfs/dbraw/zinc/18/06/69/156180669.db2.gz PKLKGMAWKBMNET-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000343922188 156190121 /nfs/dbraw/zinc/19/01/21/156190121.db2.gz UGQHSCUYSOLCLP-QLFBSQMISA-N 2 0 340.468 -0.188 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000343922190 156190279 /nfs/dbraw/zinc/19/02/79/156190279.db2.gz UGQHSCUYSOLCLP-SOUVJXGZSA-N 2 0 340.468 -0.188 20 0 EBADRP COC(CNC(=O)[C@@H]1CCC[NH+]1C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000345221808 156313979 /nfs/dbraw/zinc/31/39/79/156313979.db2.gz LBWLMHVEXIRMKT-KBPBESRZSA-N 2 0 326.441 -0.578 20 0 EBADRP C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C)C[NH+](C)C)O1 ZINC000346229220 156392392 /nfs/dbraw/zinc/39/23/92/156392392.db2.gz RUIMGVCGOHATGB-LVEBTZEWSA-N 2 0 328.457 -0.333 20 0 EBADRP COC(=O)CCNC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000356961696 157107697 /nfs/dbraw/zinc/10/76/97/157107697.db2.gz RZLPKCPMHATYFN-UHFFFAOYSA-N 2 0 342.440 -0.945 20 0 EBADRP C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)cc21 ZINC000357901490 157185698 /nfs/dbraw/zinc/18/56/98/157185698.db2.gz DHRDBOFUBKRFLR-VXGBXAGGSA-N 2 0 334.376 -0.183 20 0 EBADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](C)C2)c1 ZINC000358089438 157210231 /nfs/dbraw/zinc/21/02/31/157210231.db2.gz HJYSLWPFCRMQEN-QGZVFWFLSA-N 2 0 334.420 -0.131 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000358564743 157260793 /nfs/dbraw/zinc/26/07/93/157260793.db2.gz SSYVJDNYWHYALU-OLZOCXBDSA-N 2 0 326.441 -0.578 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000358571474 157262878 /nfs/dbraw/zinc/26/28/78/157262878.db2.gz OVBMDUNYHBELER-ZIAGYGMSSA-N 2 0 328.457 -0.521 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@H](C)[NH+]1CCC[C@H](C)C1 ZINC000358575729 157263622 /nfs/dbraw/zinc/26/36/22/157263622.db2.gz VOEUOSOYDJWAQT-GJZGRUSLSA-N 2 0 342.484 -0.083 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000358578574 157264181 /nfs/dbraw/zinc/26/41/81/157264181.db2.gz ZZQMNLIIGJJLRG-UHFFFAOYSA-N 2 0 328.457 -0.330 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000358581791 157264287 /nfs/dbraw/zinc/26/42/87/157264287.db2.gz XZVYREZYXDEPLF-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCCN1CCSCC1 ZINC000359255571 157308113 /nfs/dbraw/zinc/30/81/13/157308113.db2.gz WGOQCUTZYBCDQB-ZDUSSCGKSA-N 2 0 330.498 -0.002 20 0 EBADRP O=C(CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(c2ncccn2)CC1 ZINC000359269855 157308329 /nfs/dbraw/zinc/30/83/29/157308329.db2.gz DIVAZWMTDHMZFI-HUUCEWRRSA-N 2 0 330.436 -0.334 20 0 EBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000360170752 157362173 /nfs/dbraw/zinc/36/21/73/157362173.db2.gz KLQTVWVQBMIUSY-AWEZNQCLSA-N 2 0 327.473 -0.804 20 0 EBADRP C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)N1CC[NH+](C)CC1 ZINC000360225745 157367250 /nfs/dbraw/zinc/36/72/50/157367250.db2.gz RZRHRYOSDIKUGH-LSDHHAIUSA-N 2 0 339.484 -0.851 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000360270634 157370142 /nfs/dbraw/zinc/37/01/42/157370142.db2.gz FWUJJIBRRDHSTA-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP [NH2+]=C(NCCCN1CCOCC1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000360570976 157385497 /nfs/dbraw/zinc/38/54/97/157385497.db2.gz BWHKZVOEUSRSMY-LSDHHAIUSA-N 2 0 325.457 -0.314 20 0 EBADRP CC[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC[N@@H+]1C[C@H](C)O ZINC000333810902 287141835 /nfs/dbraw/zinc/14/18/35/287141835.db2.gz JGNVCDHTCCXMRZ-RRFJBIMHSA-N 2 0 328.457 -0.149 20 0 EBADRP CC(C)OC[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000662436967 418959375 /nfs/dbraw/zinc/95/93/75/418959375.db2.gz JTVGMDNCOPYGIY-UONOGXRCSA-N 2 0 328.457 -0.202 20 0 EBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC000410740382 419026984 /nfs/dbraw/zinc/02/69/84/419026984.db2.gz BSAOUNBUGOUBMR-AWEZNQCLSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000410468810 419029622 /nfs/dbraw/zinc/02/96/22/419029622.db2.gz BNGPYVQMZGDNOG-CQSZACIVSA-N 2 0 348.451 -0.394 20 0 EBADRP C[C@@H](O)CN1CCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)CC1 ZINC000410471337 419029969 /nfs/dbraw/zinc/02/99/69/419029969.db2.gz GBJKZHBOGSSLKW-ZIAGYGMSSA-N 2 0 326.441 -0.936 20 0 EBADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653137692 418993367 /nfs/dbraw/zinc/99/33/67/418993367.db2.gz OBJIFCZMFYQLDC-LOWVWBTDSA-N 2 0 336.358 -0.825 20 0 EBADRP CCN(C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[C@H]1CC[N@H+](C)C1 ZINC000658363507 419005567 /nfs/dbraw/zinc/00/55/67/419005567.db2.gz WISLXFKVORFKCD-AWEZNQCLSA-N 2 0 336.440 -0.064 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000662930886 419006438 /nfs/dbraw/zinc/00/64/38/419006438.db2.gz WZKCJXLBVOEFAI-ZDUSSCGKSA-N 2 0 328.457 -0.249 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC[N@@H+]1C ZINC000650918261 419088144 /nfs/dbraw/zinc/08/81/44/419088144.db2.gz ATXIFJMAMSEKHR-ZIAGYGMSSA-N 2 0 325.457 -0.116 20 0 EBADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655448459 419054005 /nfs/dbraw/zinc/05/40/05/419054005.db2.gz KVKNZBQNCFOKPG-JFIYKMOQSA-N 2 0 336.480 -0.101 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCC[NH+]2CCCC2)n1 ZINC000178764181 419130713 /nfs/dbraw/zinc/13/07/13/419130713.db2.gz QOQHFPSUBTVJMI-UHFFFAOYSA-N 2 0 336.440 -0.015 20 0 EBADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000644197731 419136897 /nfs/dbraw/zinc/13/68/97/419136897.db2.gz XNEWANARCGQUGH-ARFHVFGLSA-N 2 0 339.484 -0.038 20 0 EBADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]CCCN2C(=O)CCC2=O)C[C@@H](C)O1 ZINC000644547879 419169409 /nfs/dbraw/zinc/16/94/09/419169409.db2.gz DQCHYBSOMBSHEV-MCIONIFRSA-N 2 0 327.425 -0.415 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@H](C)C[NH+](CC)CC)C[C@H]1C[NH3+] ZINC000652667987 419247667 /nfs/dbraw/zinc/24/76/67/419247667.db2.gz JZCQEEFWMVGXNR-MGPQQGTHSA-N 2 0 328.457 -0.345 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C[C@H]1C[NH3+] ZINC000652681576 419251383 /nfs/dbraw/zinc/25/13/83/419251383.db2.gz NRZJGXGVVRIJQU-GUIRCDHDSA-N 2 0 338.452 -0.450 20 0 EBADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1=O ZINC000644893975 419261165 /nfs/dbraw/zinc/26/11/65/419261165.db2.gz BIQLCKBWRRUXQG-GOEBONIOSA-N 2 0 342.484 -0.132 20 0 EBADRP O=C(CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC000647688977 419205320 /nfs/dbraw/zinc/20/53/20/419205320.db2.gz GZDADEHVOJEAPS-UHFFFAOYSA-N 2 0 330.432 -0.144 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531295664 419222557 /nfs/dbraw/zinc/22/25/57/419222557.db2.gz HMWQCEQQODNAIE-HKUYNNGSSA-N 2 0 346.475 -0.015 20 0 EBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652323497 419232594 /nfs/dbraw/zinc/23/25/94/419232594.db2.gz IUMFMBCRCIHSAR-CQSZACIVSA-N 2 0 325.457 -0.127 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)cn1 ZINC000652623206 419241847 /nfs/dbraw/zinc/24/18/47/419241847.db2.gz CQDVOQKEYPAOEB-CYBMUJFWSA-N 2 0 336.440 -0.029 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000340484513 419360466 /nfs/dbraw/zinc/36/04/66/419360466.db2.gz OGZQZRBBCQAUPE-KKUMJFAQSA-N 2 0 338.452 -0.434 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000347760068 419491174 /nfs/dbraw/zinc/49/11/74/419491174.db2.gz JUNHHKMHMFVRRA-ZIAGYGMSSA-N 2 0 328.457 -0.378 20 0 EBADRP O=C(NCCNc1cc[nH+]cc1)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415955927 419421570 /nfs/dbraw/zinc/42/15/70/419421570.db2.gz QUUPWNQSTXQAFG-UHFFFAOYSA-N 2 0 342.407 -0.063 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)CC2)C1 ZINC000188798692 419448480 /nfs/dbraw/zinc/44/84/80/419448480.db2.gz TUWWRRFRAZMYDN-HRCADAONSA-N 2 0 342.459 -0.060 20 0 EBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000347960473 419493326 /nfs/dbraw/zinc/49/33/26/419493326.db2.gz HFNFYOOKTMKCQP-CABCVRRESA-N 2 0 339.484 -0.851 20 0 EBADRP COc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ncn1 ZINC000525882844 419466898 /nfs/dbraw/zinc/46/68/98/419466898.db2.gz ZQYLNTSBCMTPLP-UHFFFAOYSA-N 2 0 338.412 -0.625 20 0 EBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000653427184 419550321 /nfs/dbraw/zinc/55/03/21/419550321.db2.gz GYMPQVSCIHIUOV-CABCVRRESA-N 2 0 342.484 -0.084 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])C1 ZINC000520583089 419561651 /nfs/dbraw/zinc/56/16/51/419561651.db2.gz IYQDZCKNLBWMHF-HZSPNIEDSA-N 2 0 328.457 -0.299 20 0 EBADRP CC[C@@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[N@@H+]1C[C@H](C)O ZINC000351552404 419572804 /nfs/dbraw/zinc/57/28/04/419572804.db2.gz AEDVAJTYVISYQG-BFHYXJOUSA-N 2 0 326.441 -0.842 20 0 EBADRP COC(=O)[C@@]1(C)CC[N@@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000532349529 419601337 /nfs/dbraw/zinc/60/13/37/419601337.db2.gz GEKRPDMGEFXINN-LRDDRELGSA-N 2 0 325.409 -0.049 20 0 EBADRP COC(=O)[C@@]1(C)CC[N@@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000532349531 419601781 /nfs/dbraw/zinc/60/17/81/419601781.db2.gz GEKRPDMGEFXINN-WBMJQRKESA-N 2 0 325.409 -0.049 20 0 EBADRP CC(C)[C@@H](CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)[NH+]1CCN(C)CC1 ZINC000358681794 419679490 /nfs/dbraw/zinc/67/94/90/419679490.db2.gz QBHXYYDXRDQUOX-NVXWUHKLSA-N 2 0 341.500 -0.376 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000659643281 419642267 /nfs/dbraw/zinc/64/22/67/419642267.db2.gz PUQXMXRNPVSIGY-MELADBBJSA-N 2 0 325.457 -0.116 20 0 EBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659717436 419786292 /nfs/dbraw/zinc/78/62/92/419786292.db2.gz HVZIXRDUFOZQHG-KBPBESRZSA-N 2 0 326.441 -0.545 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CCSC1 ZINC000659702620 419761964 /nfs/dbraw/zinc/76/19/64/419761964.db2.gz SZMBUUCHPKCKFX-WDIPEOLASA-N 2 0 326.466 -0.592 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000659703395 419763111 /nfs/dbraw/zinc/76/31/11/419763111.db2.gz AXNPHVHZHYUIGN-UHFFFAOYSA-N 2 0 340.468 -0.057 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CCO1 ZINC000659708925 419770593 /nfs/dbraw/zinc/77/05/93/419770593.db2.gz CBVQUBUIWJTKRJ-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP COCCOCCN1CCN(C(=O)CN2CCN(C)CC2)CC1 ZINC000652999935 419777955 /nfs/dbraw/zinc/77/79/55/419777955.db2.gz PROJMOHSTCDCTR-UHFFFAOYSA-N 2 0 328.457 -0.959 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CCO1 ZINC000659713584 419781265 /nfs/dbraw/zinc/78/12/65/419781265.db2.gz GEJRLAMZAYULJC-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H]1CC[C@@H](C(N)=O)C[NH+]1CC(O)C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000181799912 419782359 /nfs/dbraw/zinc/78/23/59/419782359.db2.gz FYQKXTPEBJJCHD-IGQOVBAYSA-N 2 0 340.468 -0.481 20 0 EBADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419878737 419814723 /nfs/dbraw/zinc/81/47/23/419814723.db2.gz YHXWTVMNAVNOKV-HUUCEWRRSA-N 2 0 339.484 -0.613 20 0 EBADRP CCC[NH2+]CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000419912573 419818682 /nfs/dbraw/zinc/81/86/82/419818682.db2.gz WWRXJXXVEQQVLR-UHFFFAOYSA-N 2 0 349.435 -0.145 20 0 EBADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000420015169 419833131 /nfs/dbraw/zinc/83/31/31/419833131.db2.gz POZIZMJZCBGGCA-RDBSUJKOSA-N 2 0 340.468 -0.202 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000420048998 419834060 /nfs/dbraw/zinc/83/40/60/419834060.db2.gz XXLKQDYTWWKVGG-CHWSQXEVSA-N 2 0 344.456 -0.748 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000422295799 419879075 /nfs/dbraw/zinc/87/90/75/419879075.db2.gz OAGMWVLONFSYOD-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422977185 419914466 /nfs/dbraw/zinc/91/44/66/419914466.db2.gz WHLPXWJSFUEJIU-RWMBFGLXSA-N 2 0 326.441 -0.232 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000423209271 419922262 /nfs/dbraw/zinc/92/22/62/419922262.db2.gz IUUPWPVUZMXSQP-HUUCEWRRSA-N 2 0 339.484 -0.580 20 0 EBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423212463 419926461 /nfs/dbraw/zinc/92/64/61/419926461.db2.gz LYXPVTTXXBWKLE-HNNXBMFYSA-N 2 0 337.468 -0.953 20 0 EBADRP C[NH2+]CCCN(C)C(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000423216941 419926944 /nfs/dbraw/zinc/92/69/44/419926944.db2.gz SRRWOVAQMKUMRY-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP O=C(NCC(=O)N1CC[NH2+]CC1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000515223160 419978156 /nfs/dbraw/zinc/97/81/56/419978156.db2.gz IKZPBUISYRWVGE-LSDHHAIUSA-N 2 0 331.420 -0.527 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000515187296 419979069 /nfs/dbraw/zinc/97/90/69/419979069.db2.gz XDTNZOSWHNVUHH-UHFFFAOYSA-N 3 0 341.500 -0.556 20 0 EBADRP CCO[C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000659318568 420529419 /nfs/dbraw/zinc/52/94/19/420529419.db2.gz HGHWMAOTXZDKNA-HNNXBMFYSA-N 2 0 342.484 -0.034 20 0 EBADRP O=C(CCC(=O)N1CCN(c2ccccn2)CC1)N[C@H]1CC[NH2+]C1 ZINC000646635586 420678849 /nfs/dbraw/zinc/67/88/49/420678849.db2.gz SUUJRJYXUVXLGR-AWEZNQCLSA-N 2 0 331.420 -0.012 20 0 EBADRP O=C(NCCN1CC[NH2+]CC1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529328868 420762402 /nfs/dbraw/zinc/76/24/02/420762402.db2.gz ICXQQVBAQRLOEG-MRXNPFEDSA-N 2 0 339.484 -0.308 20 0 EBADRP O=C(NC[C@H]1COCC[NH2+]1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000529386388 420765590 /nfs/dbraw/zinc/76/55/90/420765590.db2.gz KXQHAEVYSCXMFD-GJZGRUSLSA-N 2 0 326.441 -0.271 20 0 EBADRP C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000522137923 420716998 /nfs/dbraw/zinc/71/69/98/420716998.db2.gz MLEZMYQZSWSTSY-GJZGRUSLSA-N 2 0 338.452 -0.670 20 0 EBADRP CN1CC[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)S1(=O)=O ZINC000648781606 420730635 /nfs/dbraw/zinc/73/06/35/420730635.db2.gz PFQOEBFCNOVWHJ-CQSZACIVSA-N 2 0 348.513 -0.248 20 0 EBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000649313288 420798108 /nfs/dbraw/zinc/79/81/08/420798108.db2.gz YPVLJSVEAILJOE-NWDGAFQWSA-N 2 0 332.395 -0.065 20 0 EBADRP [NH3+][C@@H]1CCCCN(CC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1=O ZINC000649321159 420800737 /nfs/dbraw/zinc/80/07/37/420800737.db2.gz NBHHNDPKJKJKBY-ILXRZTDVSA-N 2 0 338.452 -0.616 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000649334028 420801390 /nfs/dbraw/zinc/80/13/90/420801390.db2.gz CLEQAYPOVZBHHM-CJNGLKHVSA-N 2 0 339.484 -0.629 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000649352781 420803779 /nfs/dbraw/zinc/80/37/79/420803779.db2.gz KFXKLFZPUHEEHI-HOCLYGCPSA-N 2 0 339.484 -0.676 20 0 EBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000658779921 420839355 /nfs/dbraw/zinc/83/93/55/420839355.db2.gz UEJSDXVENHXOTB-CYBMUJFWSA-N 2 0 336.440 -0.016 20 0 EBADRP C[NH+](C)CCCN1C(=O)C[C@@H](N2CCN([C@@H]3CCOC3)CC2)C1=O ZINC000656477327 420896968 /nfs/dbraw/zinc/89/69/68/420896968.db2.gz FWJBIZMIHFHOEC-HUUCEWRRSA-N 2 0 338.452 -0.528 20 0 EBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656023108 420867013 /nfs/dbraw/zinc/86/70/13/420867013.db2.gz VUXLZHSKSMWKSE-FQUUOJAGSA-N 2 0 328.457 -0.300 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656020298 420867658 /nfs/dbraw/zinc/86/76/58/420867658.db2.gz POMCDUJJULZSMH-XQLPTFJDSA-N 2 0 340.468 -0.284 20 0 EBADRP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656039533 420867974 /nfs/dbraw/zinc/86/79/74/420867974.db2.gz CHIVQAORXNEJJR-MELADBBJSA-N 2 0 328.457 -0.332 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656025384 420869407 /nfs/dbraw/zinc/86/94/07/420869407.db2.gz JCFOTODKLMKCOT-UONOGXRCSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656039893 420869625 /nfs/dbraw/zinc/86/96/25/420869625.db2.gz KONGUDNGNGFEEO-SEBNEYGDSA-N 2 0 340.468 -0.204 20 0 EBADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000659612006 421006842 /nfs/dbraw/zinc/00/68/42/421006842.db2.gz VJIITCFYMIETOJ-UONOGXRCSA-N 2 0 325.457 -0.033 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659679695 421013585 /nfs/dbraw/zinc/01/35/85/421013585.db2.gz BUESHWFNTVYBHK-CQSZACIVSA-N 2 0 328.457 -0.297 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CCCO1 ZINC000659677361 421013973 /nfs/dbraw/zinc/01/39/73/421013973.db2.gz OQXFZQURVMWGJZ-CBCUQQMYSA-N 2 0 338.452 -0.528 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000659689525 421014442 /nfs/dbraw/zinc/01/44/42/421014442.db2.gz BXALQCYLNAAZIH-ZDUSSCGKSA-N 2 0 348.451 -0.826 20 0 EBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000659699364 421016100 /nfs/dbraw/zinc/01/61/00/421016100.db2.gz RXFJUNUBWFBYGP-CQSZACIVSA-N 2 0 328.457 -0.295 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CCSC1 ZINC000659701419 421016134 /nfs/dbraw/zinc/01/61/34/421016134.db2.gz DQHIETLTFGXSNV-GYSYKLTISA-N 2 0 332.445 -0.562 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659703495 421016306 /nfs/dbraw/zinc/01/63/06/421016306.db2.gz DKXSHGHHBHSJIF-KGLIPLIRSA-N 2 0 328.457 -0.343 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NCC2([NH3+])CCCC2)CCSC1 ZINC000659702044 421017083 /nfs/dbraw/zinc/01/70/83/421017083.db2.gz MVNKGNCXPAQOMC-HNNXBMFYSA-N 2 0 328.482 -0.072 20 0 EBADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000659713013 421018208 /nfs/dbraw/zinc/01/82/08/421018208.db2.gz AAUZUNXDPVMEIU-CABCVRRESA-N 2 0 338.452 -0.386 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC2CC[NH2+]CC2)CCO1 ZINC000659708864 421018254 /nfs/dbraw/zinc/01/82/54/421018254.db2.gz ATWIUXVSEWSIMN-CQSZACIVSA-N 2 0 326.441 -0.576 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659709474 421018937 /nfs/dbraw/zinc/01/89/37/421018937.db2.gz JOUOQMKACYWKKC-AWEZNQCLSA-N 2 0 341.500 -0.428 20 0 EBADRP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)C[NH+]1CCN(C)CC1 ZINC000659710783 421018974 /nfs/dbraw/zinc/01/89/74/421018974.db2.gz UUJSWUGNANNMJE-CQSZACIVSA-N 2 0 339.484 -0.626 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CCO1 ZINC000659716044 421019580 /nfs/dbraw/zinc/01/95/80/421019580.db2.gz UACXPLHHNBKRPC-RRFJBIMHSA-N 2 0 340.468 -0.058 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)CCO1 ZINC000659720148 421020961 /nfs/dbraw/zinc/02/09/61/421020961.db2.gz ANOLYQHCGUPWNN-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)[C@H](C)C[NH2+]1 ZINC000659738494 421023907 /nfs/dbraw/zinc/02/39/07/421023907.db2.gz FFGLEWOPYJDIFW-UMVBOHGHSA-N 2 0 338.452 -0.435 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000659750152 421029181 /nfs/dbraw/zinc/02/91/81/421029181.db2.gz ANZBBDKZNJKTBQ-KBPBESRZSA-N 2 0 326.441 -0.719 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000659754714 421029928 /nfs/dbraw/zinc/02/99/28/421029928.db2.gz GXQHDVUYMPSXCR-HUUCEWRRSA-N 2 0 339.484 -0.661 20 0 EBADRP C[NH+]1CCN(c2ncccc2CNC(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000662417772 421086273 /nfs/dbraw/zinc/08/62/73/421086273.db2.gz VJDJUWGYTKNWDB-UHFFFAOYSA-N 2 0 344.423 -0.686 20 0 EBADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C3(O)C[NH2+]C3)cc2)CC1 ZINC000662758790 421099731 /nfs/dbraw/zinc/09/97/31/421099731.db2.gz TYSJSLZIMQAKMO-UHFFFAOYSA-N 2 0 332.448 -0.225 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000662907049 421107424 /nfs/dbraw/zinc/10/74/24/421107424.db2.gz NEGWNHCIAAEBNR-HZPDHXFCSA-N 2 0 332.452 -0.073 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC2)c1 ZINC000662929507 421111151 /nfs/dbraw/zinc/11/11/51/421111151.db2.gz BWLLCKOGLXBTTJ-UHFFFAOYSA-N 2 0 349.435 -0.066 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC[C@H]1F ZINC000662930221 421111528 /nfs/dbraw/zinc/11/15/28/421111528.db2.gz MXEHQLDSHDMQGA-BFHYXJOUSA-N 2 0 326.416 -0.029 20 0 EBADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662947459 421114493 /nfs/dbraw/zinc/11/44/93/421114493.db2.gz QYKKJGJQVHYFGB-AWEZNQCLSA-N 2 0 342.484 -0.001 20 0 EBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)CC[C@@H]21 ZINC000662944274 421115334 /nfs/dbraw/zinc/11/53/34/421115334.db2.gz KOBKEIRBLWKDQH-DGAVXFQQSA-N 2 0 326.416 -0.173 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CCO1 ZINC000662950928 421115993 /nfs/dbraw/zinc/11/59/93/421115993.db2.gz GHURHSJAGZRYQC-WMLDXEAASA-N 2 0 340.468 -0.247 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCC([NH3+])CC2)CCO1 ZINC000662969132 421118475 /nfs/dbraw/zinc/11/84/75/421118475.db2.gz LCCRPNJTNJOHHX-AWEZNQCLSA-N 2 0 326.441 -0.495 20 0 EBADRP C[NH+](CCOCC[N@@H+](C)C[C@H]1COCCO1)C[C@H]1COCCO1 ZINC000661612899 421072707 /nfs/dbraw/zinc/07/27/07/421072707.db2.gz OWKZQBARFVQHTF-HOTGVXAUSA-N 2 0 332.441 -0.303 20 0 EBADRP COCC[N@H+](C)CCNC(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000663937563 421144432 /nfs/dbraw/zinc/14/44/32/421144432.db2.gz KGXJXWRMSYDKQE-HNNXBMFYSA-N 2 0 328.457 -0.195 20 0 EBADRP C[C@H](NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[C@@H]1CN(C)CCO1 ZINC000664489384 421157843 /nfs/dbraw/zinc/15/78/43/421157843.db2.gz ADRYOWYQXYZPKF-BPUTZDHNSA-N 2 0 340.468 -0.054 20 0 EBADRP CN(C)C(=O)[C@H]1CC[NH+](CC(O)C[N@H+]2CC[C@H](C(=O)N(C)C)C2)C1 ZINC000664780710 421163889 /nfs/dbraw/zinc/16/38/89/421163889.db2.gz UMHVFBRFGVZKPV-KBPBESRZSA-N 2 0 340.468 -0.833 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H](C2CC2)[NH+](C)C)n1 ZINC000355427926 421192783 /nfs/dbraw/zinc/19/27/83/421192783.db2.gz VAPQRDQWRJLYLK-CYBMUJFWSA-N 2 0 336.440 -0.160 20 0 EBADRP [NH3+]CCCNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418866426 264835081 /nfs/dbraw/zinc/83/50/81/264835081.db2.gz SVKOALXVDQEXGY-UHFFFAOYSA-N 2 0 347.463 -0.615 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420013019 264913969 /nfs/dbraw/zinc/91/39/69/264913969.db2.gz BMLOWXMPECIBMW-KBPBESRZSA-N 2 0 328.457 -0.343 20 0 EBADRP C[C@H]1CC[NH2+][C@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000423435429 265004610 /nfs/dbraw/zinc/00/46/10/265004610.db2.gz YUMJZNNOFLNNDI-JSGCOSHPSA-N 2 0 336.440 -0.113 20 0 EBADRP CN(CC[NH3+])C(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000423563427 265012346 /nfs/dbraw/zinc/01/23/46/265012346.db2.gz HWJSYNHPBVQJDD-GOSISDBHSA-N 2 0 348.447 -0.501 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)[C@H](C)C[NH2+]1 ZINC000423633580 265024351 /nfs/dbraw/zinc/02/43/51/265024351.db2.gz PHWQJTKHXIFKOF-ZIAGYGMSSA-N 2 0 340.468 -0.236 20 0 EBADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)CC1 ZINC000423684604 265031373 /nfs/dbraw/zinc/03/13/73/265031373.db2.gz UWWMGVJFEOXTPI-MJBXVCDLSA-N 2 0 340.468 -0.514 20 0 EBADRP O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000424177573 265049808 /nfs/dbraw/zinc/04/98/08/265049808.db2.gz PVRKQWIRPMGJLQ-KGLIPLIRSA-N 2 0 332.452 -0.004 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)C[C@H]2[NH3+])cn1 ZINC000424230270 265051751 /nfs/dbraw/zinc/05/17/51/265051751.db2.gz ZSPXBBHRKIAVGX-VHDGCEQUSA-N 2 0 348.451 -0.917 20 0 EBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424545015 265075297 /nfs/dbraw/zinc/07/52/97/265075297.db2.gz LEUHUBNOEFXLEZ-VHDGCEQUSA-N 2 0 348.451 -0.774 20 0 EBADRP C[NH+](C)CCCNC(=O)[C@H]1CC[C@@H](C(=O)NCCC[NH+](C)C)O1 ZINC000426580464 265098544 /nfs/dbraw/zinc/09/85/44/265098544.db2.gz RASFHHLBKRCGTR-OKILXGFUSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1nnn(C)n1 ZINC000427145085 265103319 /nfs/dbraw/zinc/10/33/19/265103319.db2.gz QRDWNBTVWMSCQA-ZDUSSCGKSA-N 2 0 338.460 -0.232 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430651167 265152257 /nfs/dbraw/zinc/15/22/57/265152257.db2.gz VUDJUMJOTRJHPO-VXGBXAGGSA-N 2 0 327.429 -0.604 20 0 EBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)COC2C[NH2+]C2)CC1 ZINC000431001859 265158134 /nfs/dbraw/zinc/15/81/34/265158134.db2.gz XDFOOKGLPYOYIJ-UHFFFAOYSA-N 2 0 340.468 -0.282 20 0 EBADRP CS(=O)(=O)N1CCC[C@H](NC(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433146719 265186266 /nfs/dbraw/zinc/18/62/66/265186266.db2.gz WJPIBXTXSCSBEU-AWEZNQCLSA-N 2 0 346.497 -0.270 20 0 EBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433391418 265187217 /nfs/dbraw/zinc/18/72/17/265187217.db2.gz RMNCKCXYRGLKPZ-STQMWFEESA-N 2 0 349.439 -0.728 20 0 EBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000434867562 265216734 /nfs/dbraw/zinc/21/67/34/265216734.db2.gz FNLVTNJKUCVWLN-STQMWFEESA-N 2 0 328.482 -0.215 20 0 EBADRP Cn1c2ncn(CC[N@H+](C)[C@H]3CCC[NH2+]CC3)c2c(=O)n(C)c1=O ZINC000435611512 265228905 /nfs/dbraw/zinc/22/89/05/265228905.db2.gz BGPASZJUMLGPIH-LBPRGKRZSA-N 2 0 334.424 -0.492 20 0 EBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000438879863 265259105 /nfs/dbraw/zinc/25/91/05/265259105.db2.gz RPWBLPJWTOZJCB-HNNXBMFYSA-N 2 0 343.431 -0.072 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000440975517 265299816 /nfs/dbraw/zinc/29/98/16/265299816.db2.gz FXENGPCYZWBQBG-HNNXBMFYSA-N 2 0 340.516 -0.443 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)c1 ZINC000420099420 272819229 /nfs/dbraw/zinc/81/92/29/272819229.db2.gz YEZVCECAKRAZQQ-UHFFFAOYSA-N 2 0 347.419 -0.264 20 0 EBADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430538098 272841442 /nfs/dbraw/zinc/84/14/42/272841442.db2.gz AYHNVAIRENPSPQ-KGLIPLIRSA-N 2 0 340.468 -0.071 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCC(=O)N1CCOCC1 ZINC000530880765 272901682 /nfs/dbraw/zinc/90/16/82/272901682.db2.gz GLGXICDNUCBHDW-UHFFFAOYSA-N 2 0 328.457 -0.423 20 0 EBADRP COCC[N@H+](C)CCNC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000363575960 277212232 /nfs/dbraw/zinc/21/22/32/277212232.db2.gz XQDDWMDVCPUWDM-CABCVRRESA-N 2 0 328.457 -0.195 20 0 EBADRP C[C@H]1[C@@H](NC(=O)C(=O)N2CCC([NH+](C)CCO)CC2)CCC[N@@H+]1C ZINC000347799352 280103181 /nfs/dbraw/zinc/10/31/81/280103181.db2.gz ZAQWHHUXRLSVJG-ZFWWWQNUSA-N 2 0 340.468 -0.500 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000360270499 289166834 /nfs/dbraw/zinc/16/68/34/289166834.db2.gz FGTRGGAUIKELCF-UHFFFAOYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000332347035 289367716 /nfs/dbraw/zinc/36/77/16/289367716.db2.gz AFHJVVOYHCZZJF-CABCVRRESA-N 2 0 337.468 -0.955 20 0 EBADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc1 ZINC000102811845 521813524 /nfs/dbraw/zinc/81/35/24/521813524.db2.gz WYXOMOKMPDQSTI-HNNXBMFYSA-N 2 0 336.436 -0.232 20 0 EBADRP C[NH+](C)[C@@H]1CCN(C(=O)COCC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000105600179 522050914 /nfs/dbraw/zinc/05/09/14/522050914.db2.gz MNGRPWCRSQSPQI-OKILXGFUSA-N 2 0 326.441 -0.672 20 0 EBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668672404 545733368 /nfs/dbraw/zinc/73/33/68/545733368.db2.gz PHITVWIKOMRZCF-ZFWWWQNUSA-N 2 0 340.468 -0.188 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)C1 ZINC000668842258 545770652 /nfs/dbraw/zinc/77/06/52/545770652.db2.gz KCMLPCQIPVMPTC-KBPBESRZSA-N 2 0 340.468 -0.188 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000668891106 545782860 /nfs/dbraw/zinc/78/28/60/545782860.db2.gz JLYQCLRRZPWKDF-KGLIPLIRSA-N 2 0 339.484 -0.663 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000668893859 545784017 /nfs/dbraw/zinc/78/40/17/545784017.db2.gz SKPQSKREYYRJEW-KGLIPLIRSA-N 2 0 339.484 -0.663 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000668893858 545785507 /nfs/dbraw/zinc/78/55/07/545785507.db2.gz SKPQSKREYYRJEW-KBPBESRZSA-N 2 0 339.484 -0.663 20 0 EBADRP C[C@H](O)C[N@@H+]1CCN(C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000337395447 545896104 /nfs/dbraw/zinc/89/61/04/545896104.db2.gz FQQUXUZPVJYALA-JSRQGNBESA-N 2 0 329.485 -0.157 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC1CC(NS(C)(=O)=O)C1 ZINC000670178331 545970130 /nfs/dbraw/zinc/97/01/30/545970130.db2.gz IXMXDYLELJIGIC-UHFFFAOYSA-N 2 0 349.501 -0.799 20 0 EBADRP CC(C)[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[NH2+]1 ZINC000667518463 546056747 /nfs/dbraw/zinc/05/67/47/546056747.db2.gz CLRUZZXLFRBAAM-CQSZACIVSA-N 2 0 336.440 -0.160 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672309165 546091329 /nfs/dbraw/zinc/09/13/29/546091329.db2.gz HQRAGHQATKNBSI-CQSZACIVSA-N 2 0 326.441 -0.719 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)C1 ZINC000672358537 546094131 /nfs/dbraw/zinc/09/41/31/546094131.db2.gz YMLFBNSNHHAURC-GJZGRUSLSA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+]1CCN(CCNC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1(C)C ZINC000672854793 546122238 /nfs/dbraw/zinc/12/22/38/546122238.db2.gz GYAQHNBVABAUFV-CQSZACIVSA-N 2 0 339.484 -0.661 20 0 EBADRP CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000673878664 546150737 /nfs/dbraw/zinc/15/07/37/546150737.db2.gz NJOQABKTLVJIHN-OAHLLOKOSA-N 2 0 327.473 -0.404 20 0 EBADRP C[NH+](C)C1CCN(CCNC(=O)NCc2nnnn2C2CC2)CC1 ZINC000674033680 546154075 /nfs/dbraw/zinc/15/40/75/546154075.db2.gz MHLZVNFENTUEGO-UHFFFAOYSA-N 2 0 336.444 -0.167 20 0 EBADRP CN(C)C(=O)CCN1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000675533193 546185372 /nfs/dbraw/zinc/18/53/72/546185372.db2.gz UHPFPBFGOSNLKL-AWEZNQCLSA-N 2 0 325.457 -0.114 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)cn1 ZINC000676095940 546195171 /nfs/dbraw/zinc/19/51/71/546195171.db2.gz XPWCPKSORFVPPB-ZDUSSCGKSA-N 2 0 336.440 -0.207 20 0 EBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676099674 546196728 /nfs/dbraw/zinc/19/67/28/546196728.db2.gz LCXJNGJPFUULNO-DOMZBBRYSA-N 2 0 348.451 -0.018 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cn1 ZINC000679371247 546270796 /nfs/dbraw/zinc/27/07/96/546270796.db2.gz SZUSRBZOAYDKPH-ZFWWWQNUSA-N 2 0 348.451 -0.064 20 0 EBADRP OC[C@@H]1C[C@@H](O)C[NH+]1Cc1ccccc1C[N@H+]1C[C@H](O)C[C@H]1CO ZINC000681167542 546300941 /nfs/dbraw/zinc/30/09/41/546300941.db2.gz GJQHAADKPRYVDZ-WNRNVDISSA-N 2 0 336.432 -0.458 20 0 EBADRP C[NH+](C)CCOCCNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000682613225 546337052 /nfs/dbraw/zinc/33/70/52/546337052.db2.gz GUSFCWKGUJLORE-MRXNPFEDSA-N 2 0 341.500 -0.014 20 0 EBADRP Cn1nncc1S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000684589409 546374049 /nfs/dbraw/zinc/37/40/49/546374049.db2.gz LTAPMPNUOLWZNV-UHFFFAOYSA-N 2 0 330.458 -0.538 20 0 EBADRP C[NH+](C)C[C@](C)(O)CNc1cnc(NC[C@](C)(O)C[NH+](C)C)cn1 ZINC000685273276 546391487 /nfs/dbraw/zinc/39/14/87/546391487.db2.gz ZIBBEOSXMCLWQJ-IYBDPMFKSA-N 2 0 340.472 -0.074 20 0 EBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])C2)CC1 ZINC000566009684 582549480 /nfs/dbraw/zinc/54/94/80/582549480.db2.gz GOSBLMKMBHPNLU-RBSFLKMASA-N 2 0 339.484 -0.533 20 0 EBADRP CCN(C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000891563511 582558465 /nfs/dbraw/zinc/55/84/65/582558465.db2.gz IHLFCAXTTQZJMJ-JKSUJKDBSA-N 2 0 339.484 -0.214 20 0 EBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000891563486 582558622 /nfs/dbraw/zinc/55/86/22/582558622.db2.gz HTVPBOLBTBDRHH-PMPSAXMXSA-N 2 0 339.484 -0.038 20 0 EBADRP COCCOCC[N@H+](C)CCC(=O)N1CCN(C)CC[NH+](C)CC1 ZINC000888979291 582559521 /nfs/dbraw/zinc/55/95/21/582559521.db2.gz NVPCSUKRSBIASY-UHFFFAOYSA-N 2 0 344.500 -0.323 20 0 EBADRP CCC1([NH+](C)C)CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000891971770 582564611 /nfs/dbraw/zinc/56/46/11/582564611.db2.gz YIIHLZNPLYTVEQ-UHFFFAOYSA-N 2 0 325.457 -0.066 20 0 EBADRP [NH3+]C/C=C\CNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892124245 582567584 /nfs/dbraw/zinc/56/75/84/582567584.db2.gz YFVKGOAKRMUZNK-DJYNDVHFSA-N 2 0 325.457 -0.403 20 0 EBADRP O=C(NCC12CC(C1)C[NH2+]2)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892261622 582572205 /nfs/dbraw/zinc/57/22/05/582572205.db2.gz NRVNPEHOVHHZAX-RFVMBOSQSA-N 2 0 335.408 -0.685 20 0 EBADRP C[C@@H]1CC[C@@H](NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C[NH2+]1 ZINC000892292384 582573534 /nfs/dbraw/zinc/57/35/34/582573534.db2.gz PGMKBVIOPMZATA-RGDJUOJXSA-N 2 0 337.424 -0.297 20 0 EBADRP CN1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@H+](C)CC1 ZINC000888991281 582577784 /nfs/dbraw/zinc/57/77/84/582577784.db2.gz WJPOPOYQKVTNAL-HNNXBMFYSA-N 2 0 339.484 -0.898 20 0 EBADRP [NH3+][C@H]1C[C@@H](CNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC000892545069 582582006 /nfs/dbraw/zinc/58/20/06/582582006.db2.gz RJKIGYBHURCAHV-XHSDSOJGSA-N 2 0 339.484 -0.181 20 0 EBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892761074 582586924 /nfs/dbraw/zinc/58/69/24/582586924.db2.gz UFVVUCOLPNRELJ-UONOGXRCSA-N 2 0 326.441 -0.489 20 0 EBADRP CC(C)([NH3+])CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892845554 582589289 /nfs/dbraw/zinc/58/92/89/582589289.db2.gz HDYWJQYJKZNWHZ-UTUOFQBUSA-N 2 0 325.413 -0.310 20 0 EBADRP O[C@@H]1CC[NH+](CCNc2nccc(NCC[N@H+]3CC[C@@H](O)C3)n2)C1 ZINC000894782289 582634812 /nfs/dbraw/zinc/63/48/12/582634812.db2.gz UPNMLUAIAJAEDN-ZIAGYGMSSA-N 2 0 336.440 -0.566 20 0 EBADRP CCN1CC[C@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000897359050 582680399 /nfs/dbraw/zinc/68/03/99/582680399.db2.gz KMPQFMMHRGORSR-GJZGRUSLSA-N 2 0 340.468 -0.330 20 0 EBADRP O=C(CN1CC[NH2+]CC1)NCc1cn(C[C@@H]2CCCC[NH2+]C2)nn1 ZINC000899740093 582755283 /nfs/dbraw/zinc/75/52/83/582755283.db2.gz DHYAQXOFNRKRCN-CQSZACIVSA-N 2 0 335.456 -0.811 20 0 EBADRP C[N@@H+]1CCC[C@@](O)(CC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000900513434 582771019 /nfs/dbraw/zinc/77/10/19/582771019.db2.gz WQECGKCDDNTVDK-WMLDXEAASA-N 2 0 340.468 -0.463 20 0 EBADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000900559496 582772500 /nfs/dbraw/zinc/77/25/00/582772500.db2.gz AJBAPZRNQIZMQD-PBHICJAKSA-N 2 0 338.452 -0.792 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900689420 582779288 /nfs/dbraw/zinc/77/92/88/582779288.db2.gz PXAOAONNWWROHK-RDJZCZTQSA-N 2 0 326.485 -0.025 20 0 EBADRP C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[C@@H]1C[N@H+](C)CCN1C ZINC000900800380 582783435 /nfs/dbraw/zinc/78/34/35/582783435.db2.gz CGAOWAXRALMFFA-KKUMJFAQSA-N 2 0 339.484 -0.853 20 0 EBADRP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000901107534 582792620 /nfs/dbraw/zinc/79/26/20/582792620.db2.gz YHVBZXKIJQKOBM-CKEIUWERSA-N 2 0 338.452 -0.794 20 0 EBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)N1C[C@@H](C)O[C@H](C)C1)C2 ZINC000903490960 582809333 /nfs/dbraw/zinc/80/93/33/582809333.db2.gz OSYAEUSBYJALRO-MPZWGZMNSA-N 2 0 339.436 -0.166 20 0 EBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@H](C)C(=O)NC[C@@H]1CCCO1)C2 ZINC000903493158 582809706 /nfs/dbraw/zinc/80/97/06/582809706.db2.gz VTGGPDJFIRSTHL-RBUCKAEESA-N 2 0 339.436 -0.118 20 0 EBADRP O=C(CN1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)N1CCCC1 ZINC000903733163 582814579 /nfs/dbraw/zinc/81/45/79/582814579.db2.gz KPWRBTNQUCVMQH-FUHWJXTLSA-N 2 0 336.480 -0.005 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903738039 582816427 /nfs/dbraw/zinc/81/64/27/582816427.db2.gz HPVYGTKRQVTUGO-ZIAGYGMSSA-N 2 0 328.457 -0.534 20 0 EBADRP O=C(N1CC[NH2+]CC1)N1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903769546 582817950 /nfs/dbraw/zinc/81/79/50/582817950.db2.gz IZWASTNQJIUINN-DOTOQJQBSA-N 2 0 337.468 -0.602 20 0 EBADRP C[C@]12C[NH+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C[C@]1(C)C(=O)NC2=O ZINC000903934687 582823852 /nfs/dbraw/zinc/82/38/52/582823852.db2.gz ITNASPKYVRACKV-HFBAOOFYSA-N 2 0 332.408 -0.313 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=S)NCCCN2CCOCC2)C1 ZINC000730734033 582831593 /nfs/dbraw/zinc/83/15/93/582831593.db2.gz PRASGFKLIDBRJA-AWEZNQCLSA-N 2 0 330.498 -0.107 20 0 EBADRP C[C@@H]1CN(C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C[C@H](C)[N@H+]1CCO ZINC000838302676 583053623 /nfs/dbraw/zinc/05/36/23/583053623.db2.gz QGNMDLFFRQBAND-FZKCQIBNSA-N 2 0 340.468 -0.054 20 0 EBADRP C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000746423866 583106849 /nfs/dbraw/zinc/10/68/49/583106849.db2.gz XRUCNHUFVXVLIM-ZDUSSCGKSA-N 2 0 336.440 -0.016 20 0 EBADRP O[C@H](CN1CCC(O)(C[NH+]2CCOCC2)CC1)C[NH+]1CCCC1 ZINC000779604418 583437453 /nfs/dbraw/zinc/43/74/53/583437453.db2.gz ZUANSKFKAAZUHE-INIZCTEOSA-N 2 0 327.469 -0.398 20 0 EBADRP CCc1cc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[nH]n1 ZINC000805851668 583522209 /nfs/dbraw/zinc/52/22/09/583522209.db2.gz NGKJOCSXRHKGEU-UHFFFAOYSA-N 2 0 338.456 -0.460 20 0 EBADRP O=S1(=O)CCCN1[C@H]1CCCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000789372751 583536700 /nfs/dbraw/zinc/53/67/00/583536700.db2.gz ABWRWYZOKZMKIQ-GJZGRUSLSA-N 2 0 331.482 -0.057 20 0 EBADRP C[N@@H+]1CC[C@]2(CCN(CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C2)C1 ZINC000793764331 583570137 /nfs/dbraw/zinc/57/01/37/583570137.db2.gz GVADMBBDCJFFKP-INIZCTEOSA-N 2 0 335.452 -0.012 20 0 EBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000804056442 583639420 /nfs/dbraw/zinc/63/94/20/583639420.db2.gz KSVDGLHPAOTMEV-KFWWJZLASA-N 2 0 338.452 -0.482 20 0 EBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804057296 583639996 /nfs/dbraw/zinc/63/99/96/583639996.db2.gz WCCZFAZMLQENKO-LSDHHAIUSA-N 2 0 338.452 -0.482 20 0 EBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804057245 583640083 /nfs/dbraw/zinc/64/00/83/583640083.db2.gz OKLMLJDQISSELJ-RBSFLKMASA-N 2 0 340.468 -0.188 20 0 EBADRP CCc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nn1C ZINC000817385884 583726694 /nfs/dbraw/zinc/72/66/94/583726694.db2.gz MERNHOUSOHXBLP-UHFFFAOYSA-N 2 0 338.456 -0.127 20 0 EBADRP C[NH+]1C[C@H]2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)N3CC[C@H]4C[N@@H+](C)C[C@@H]43)[C@H]2C1 ZINC000820273636 583770035 /nfs/dbraw/zinc/77/00/35/583770035.db2.gz YQSXURUQDYAWPM-NEXGVSGLSA-N 2 0 346.475 -0.053 20 0 EBADRP CN(C[C@@H](O)CNC(=O)C[NH+]1CCCC1)C(=O)C[NH+]1CCCC1 ZINC000823125672 583824885 /nfs/dbraw/zinc/82/48/85/583824885.db2.gz NUJJVJGMQHQCNQ-AWEZNQCLSA-N 2 0 326.441 -0.887 20 0 EBADRP CN1CC[NH+](C2CCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CC2)CC1 ZINC000827445114 583921306 /nfs/dbraw/zinc/92/13/06/583921306.db2.gz IBVNHMWPJJQOKD-KRWDZBQOSA-N 2 0 335.496 -0.385 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1COC2(CCC2)C1 ZINC000830079751 583963252 /nfs/dbraw/zinc/96/32/52/583963252.db2.gz QOIQPBUDQSFEPI-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[NH+]1CCCCC1 ZINC000842015759 584056360 /nfs/dbraw/zinc/05/63/60/584056360.db2.gz MYLNWCVMVQXREU-KGLIPLIRSA-N 2 0 326.441 -0.528 20 0 EBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000842163911 584058501 /nfs/dbraw/zinc/05/85/01/584058501.db2.gz ASVYMTSIBUYBFU-SOUVJXGZSA-N 2 0 340.468 -0.202 20 0 EBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000842163909 584058517 /nfs/dbraw/zinc/05/85/17/584058517.db2.gz ASVYMTSIBUYBFU-RBSFLKMASA-N 2 0 340.468 -0.202 20 0 EBADRP C[C@]1(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CCC[NH2+]C1 ZINC000842163960 584058599 /nfs/dbraw/zinc/05/85/99/584058599.db2.gz CRXMIPTXOXYTBX-ZQIUZPCESA-N 2 0 338.452 -0.528 20 0 EBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000842165546 584058990 /nfs/dbraw/zinc/05/89/90/584058990.db2.gz ZFTDBYWIKGKOCH-MCIONIFRSA-N 2 0 326.441 -0.545 20 0 EBADRP CCCN(CCO)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867293196 584063756 /nfs/dbraw/zinc/06/37/56/584063756.db2.gz ZRGTVGWLFGPAQV-HUUCEWRRSA-N 2 0 342.484 -0.585 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000843260833 584074520 /nfs/dbraw/zinc/07/45/20/584074520.db2.gz GRAJUMZMOCHUIU-GZBFAFLISA-N 2 0 340.468 -0.012 20 0 EBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCO1 ZINC000843348014 584076400 /nfs/dbraw/zinc/07/64/00/584076400.db2.gz ZTCIANCTHYFTCN-CABCVRRESA-N 2 0 338.452 -0.623 20 0 EBADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000843358112 584076833 /nfs/dbraw/zinc/07/68/33/584076833.db2.gz BWZYLXARQMAWRK-NSHDSACASA-N 2 0 336.358 -0.097 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844181062 584090036 /nfs/dbraw/zinc/09/00/36/584090036.db2.gz OETSRDFDSSXGQS-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP CCON(C)C(=O)C[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000846064359 584120598 /nfs/dbraw/zinc/12/05/98/584120598.db2.gz LJWHASMLGXTNLV-UHFFFAOYSA-N 2 0 328.457 -0.218 20 0 EBADRP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000867419082 584125531 /nfs/dbraw/zinc/12/55/31/584125531.db2.gz AYFIDLNFMFKUAM-BLLLJJGKSA-N 2 0 344.456 -0.376 20 0 EBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000851684927 584198359 /nfs/dbraw/zinc/19/83/59/584198359.db2.gz NDSLLFPWVMUQKX-MELADBBJSA-N 2 0 326.441 -0.545 20 0 EBADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851874934 584204533 /nfs/dbraw/zinc/20/45/33/584204533.db2.gz CSMDCNPQZIAAGV-SFHVURJKSA-N 2 0 334.464 -0.071 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852865584 584217776 /nfs/dbraw/zinc/21/77/76/584217776.db2.gz IOMIJNSJERCNBH-GFCCVEGCSA-N 2 0 325.413 -0.897 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852865314 584217832 /nfs/dbraw/zinc/21/78/32/584217832.db2.gz YWTKAWVPPFTRBR-YPMHNXCESA-N 2 0 325.413 -0.851 20 0 EBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)=NO1 ZINC000852874402 584218602 /nfs/dbraw/zinc/21/86/02/584218602.db2.gz OYFGNLMAIXNVFG-AGIUHOORSA-N 2 0 337.424 -0.803 20 0 EBADRP [NH3+]C[C@H]1CC(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)=NO1 ZINC000852902376 584219703 /nfs/dbraw/zinc/21/97/03/584219703.db2.gz DRDBEWGQUIYLBV-HUUCEWRRSA-N 2 0 332.404 -0.027 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)CCO1 ZINC000852921940 584221146 /nfs/dbraw/zinc/22/11/46/584221146.db2.gz OHHJPQIXFZWMPT-HUUCEWRRSA-N 2 0 340.468 -0.247 20 0 EBADRP O=C(NC[C@H]1CCC[NH2+]1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861639086 584332266 /nfs/dbraw/zinc/33/22/66/584332266.db2.gz QNBIRHMSIAGGPC-BNOWGMLFSA-N 2 0 337.424 -0.295 20 0 EBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000861730446 584335576 /nfs/dbraw/zinc/33/55/76/584335576.db2.gz WINJWKPPMVLDPT-GDBMZVCRSA-N 2 0 348.447 -0.191 20 0 EBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](CCCN2CCOCC2)CC1 ZINC000863549862 584372893 /nfs/dbraw/zinc/37/28/93/584372893.db2.gz SGZWDCOFKZDZMG-JKSUJKDBSA-N 2 0 338.452 -0.034 20 0 EBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000863764970 584377423 /nfs/dbraw/zinc/37/74/23/584377423.db2.gz JTVCZXIYLZQHJU-CYBMUJFWSA-N 2 0 328.457 -0.249 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000866771300 584406296 /nfs/dbraw/zinc/40/62/96/584406296.db2.gz CNSDRLMGAJQJGX-HNNXBMFYSA-N 2 0 330.498 -0.218 20 0 EBADRP C[C@@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)C1CC[NH2+]CC1 ZINC000866808756 584407202 /nfs/dbraw/zinc/40/72/02/584407202.db2.gz CPMMKOYATVOLSM-CQSZACIVSA-N 2 0 332.514 -0.069 20 0 EBADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC3C[NH2+]C3)cc2F)CC1 ZINC000868246944 584423361 /nfs/dbraw/zinc/42/33/61/584423361.db2.gz YSHXVFBUJHQQPA-UHFFFAOYSA-N 2 0 349.410 -0.006 20 0 EBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000868414646 584429034 /nfs/dbraw/zinc/42/90/34/584429034.db2.gz HSGGGOHKVQZITR-OAHLLOKOSA-N 2 0 339.484 -0.578 20 0 EBADRP C[NH+]1C[C@H]2CCN(C(=O)[C@H](F)C(=O)N3CC[C@H]4C[N@@H+](C)C[C@@H]43)[C@H]2C1 ZINC000868520166 584430814 /nfs/dbraw/zinc/43/08/14/584430814.db2.gz KEQMOQRBXCQRRB-AIEDFZFUSA-N 2 0 338.427 -0.351 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccc(C(N)=O)nc2)C[C@H]1C[NH+](C)C ZINC000870016157 584442850 /nfs/dbraw/zinc/44/28/50/584442850.db2.gz DKJRQIPTIPXOFP-HUUCEWRRSA-N 2 0 347.463 -0.079 20 0 EBADRP Cc1cccc(CN2CCO[C@H](CNC(=O)CNC(=O)C[NH3+])C2)c1 ZINC000870977256 584450378 /nfs/dbraw/zinc/45/03/78/584450378.db2.gz CVIAUPJMQRDVTO-OAHLLOKOSA-N 2 0 334.420 -0.613 20 0 EBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871004344 584451072 /nfs/dbraw/zinc/45/10/72/584451072.db2.gz KEAJMUFNDHMYAS-RQJABVFESA-N 2 0 338.408 -0.852 20 0 EBADRP C[NH+]1CCC[C@@H]1C(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000871460793 584454388 /nfs/dbraw/zinc/45/43/88/584454388.db2.gz CUXCYXBCXFCBBZ-RRFJBIMHSA-N 2 0 338.452 -0.482 20 0 EBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000871809849 584457327 /nfs/dbraw/zinc/45/73/27/584457327.db2.gz GGNDIZMWDZQLHU-CHWSQXEVSA-N 2 0 333.454 -0.947 20 0 EBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872302180 584461280 /nfs/dbraw/zinc/46/12/80/584461280.db2.gz QWMJFHZVJZBJCP-BATXPIFBSA-N 2 0 334.420 -0.208 20 0 EBADRP [NH3+]C[C@]1(C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCCOC1 ZINC000872302046 584461389 /nfs/dbraw/zinc/46/13/89/584461389.db2.gz NMXCSVYYERIZLG-RSUWNVLCSA-N 2 0 338.408 -0.865 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)Nc2cnsn2)C[C@H]1C[NH+](C)C ZINC000873982284 584478724 /nfs/dbraw/zinc/47/87/24/584478724.db2.gz GTAPYJYBRKOMLI-GHMZBOCLSA-N 2 0 340.453 -0.326 20 0 EBADRP CC[C@@H](COC)NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875035801 584488060 /nfs/dbraw/zinc/48/80/60/584488060.db2.gz YBAQKFUJYUTISG-KFWWJZLASA-N 2 0 342.484 -0.275 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2COCCO2)C[C@H]1C[NH+](C)C ZINC000875129511 584490099 /nfs/dbraw/zinc/49/00/99/584490099.db2.gz QMCIUKLFYAQWEI-RBSFLKMASA-N 2 0 328.457 -0.217 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCSC2)C[C@H]1C[NH+](C)C ZINC000875198768 584493437 /nfs/dbraw/zinc/49/34/37/584493437.db2.gz SQNCXBJHIGTTTR-MCIONIFRSA-N 2 0 342.509 -0.194 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2CCCNC2=O)C[C@H]1C[NH+](C)C ZINC000875664131 584504310 /nfs/dbraw/zinc/50/43/10/584504310.db2.gz FNOJUPPYDPMQCY-RRFJBIMHSA-N 2 0 339.484 -0.107 20 0 EBADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000876511353 584517497 /nfs/dbraw/zinc/51/74/97/584517497.db2.gz GCKFWTHWHVYZMZ-CYBMUJFWSA-N 2 0 334.424 -0.722 20 0 EBADRP COC[C@@]1(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C[NH2+]CCO1 ZINC000876719188 584521775 /nfs/dbraw/zinc/52/17/75/584521775.db2.gz FPBBGCOZTZZMTF-NVXWUHKLSA-N 2 0 341.452 -0.249 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876752779 584521966 /nfs/dbraw/zinc/52/19/66/584521966.db2.gz YNBLSYNUPYJGEL-ZFWWWQNUSA-N 2 0 328.432 -0.053 20 0 EBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000876760744 584522814 /nfs/dbraw/zinc/52/28/14/584522814.db2.gz WWUWOOXORACGNJ-AAEUAGOBSA-N 2 0 332.395 -0.115 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@]2(COC)C[NH2+]CCO2)C1 ZINC000876775614 584523152 /nfs/dbraw/zinc/52/31/52/584523152.db2.gz ZXILZQVBVOKELC-DOTOQJQBSA-N 2 0 343.468 -0.049 20 0 EBADRP COC[C@@]1(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C[NH2+]CCO1 ZINC000876775946 584523527 /nfs/dbraw/zinc/52/35/27/584523527.db2.gz HSYQSPZFXUUCCJ-GDBMZVCRSA-N 2 0 327.425 -0.828 20 0 EBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@]2(COC)C[NH2+]CCO2)CC1 ZINC000876780701 584523737 /nfs/dbraw/zinc/52/37/37/584523737.db2.gz IUXHVBWDBZBKFM-HOCLYGCPSA-N 2 0 328.457 -0.866 20 0 EBADRP O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000876995075 584527796 /nfs/dbraw/zinc/52/77/96/584527796.db2.gz AFVGBWQZHHEIRA-CHWSQXEVSA-N 2 0 327.404 -0.897 20 0 EBADRP COC[C@]1(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000877018671 584528374 /nfs/dbraw/zinc/52/83/74/584528374.db2.gz PGFMHDUUMRAULB-WZRBSPASSA-N 2 0 339.358 -0.023 20 0 EBADRP COCC[N@@H+](Cc1cn(C)c(=O)n(C)c1=O)CC1CC[NH+](C)CC1 ZINC000877665284 584533797 /nfs/dbraw/zinc/53/37/97/584533797.db2.gz PBVIYAOQJNFHEJ-UHFFFAOYSA-N 2 0 338.452 -0.126 20 0 EBADRP C[C@@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CCN1c1cc[nH+]cc1 ZINC000883473029 584601677 /nfs/dbraw/zinc/60/16/77/584601677.db2.gz PCYVAFMSFGBCCU-UKRRQHHQSA-N 2 0 340.449 -0.090 20 0 EBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1 ZINC000883638717 584604087 /nfs/dbraw/zinc/60/40/87/584604087.db2.gz VCJUMTIWCGNHRN-UONOGXRCSA-N 2 0 331.420 -0.061 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000884507944 584625023 /nfs/dbraw/zinc/62/50/23/584625023.db2.gz QFTGOZULBKKSSW-OLZOCXBDSA-N 2 0 325.457 -0.923 20 0 EBADRP CCN(C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@H]1CC[NH2+]C1 ZINC000884508234 584625087 /nfs/dbraw/zinc/62/50/87/584625087.db2.gz YLGQBDQXPFLBKN-AWEZNQCLSA-N 2 0 339.484 -0.661 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000884516876 584625659 /nfs/dbraw/zinc/62/56/59/584625659.db2.gz WWTKLSYWROTLOK-GASCZTMLSA-N 2 0 337.468 -0.909 20 0 EBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NC[C@H]1C[N@@H+]3CCC[C@@H]3CO1)C2 ZINC000884560037 584627258 /nfs/dbraw/zinc/62/72/58/584627258.db2.gz LRQYFOWKQCYCJA-QDEZUTFSSA-N 2 0 336.436 -0.966 20 0 EBADRP CCN(C(=O)C(=O)NCCCC[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000884598023 584629082 /nfs/dbraw/zinc/62/90/82/584629082.db2.gz QYDKGCWXRQHWDM-CQSZACIVSA-N 2 0 326.441 -0.575 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000884597942 584629087 /nfs/dbraw/zinc/62/90/87/584629087.db2.gz PEKCJQNSSLFLNX-GASCZTMLSA-N 2 0 337.468 -0.907 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000884637657 584630502 /nfs/dbraw/zinc/63/05/02/584630502.db2.gz WPBBMNKKRNYGBU-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884637529 584630556 /nfs/dbraw/zinc/63/05/56/584630556.db2.gz RLVSZGPDEJFBOU-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884637658 584630574 /nfs/dbraw/zinc/63/05/74/584630574.db2.gz WPBBMNKKRNYGBU-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000884669763 584632550 /nfs/dbraw/zinc/63/25/50/584632550.db2.gz GFNMAIXNSDWKQE-KFWWJZLASA-N 2 0 339.484 -0.676 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CCN1c1cc[nH+]cc1 ZINC000884678947 584633809 /nfs/dbraw/zinc/63/38/09/584633809.db2.gz PWDGOFOCXBIGDI-IUODEOHRSA-N 2 0 331.420 -0.028 20 0 EBADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000884690161 584634430 /nfs/dbraw/zinc/63/44/30/584634430.db2.gz OHVVKPACNKYLIW-ZDUSSCGKSA-N 2 0 331.420 -0.013 20 0 EBADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000884692613 584634819 /nfs/dbraw/zinc/63/48/19/584634819.db2.gz KRXQRMAMNIECOL-ZFWWWQNUSA-N 2 0 330.432 -0.041 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000884701818 584635067 /nfs/dbraw/zinc/63/50/67/584635067.db2.gz PLINXQSLYJRAQN-RBSFLKMASA-N 3 0 341.500 -0.716 20 0 EBADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000884707660 584635296 /nfs/dbraw/zinc/63/52/96/584635296.db2.gz UULBSVXGNDHFQY-SWLSCSKDSA-N 2 0 331.420 -0.028 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000884721737 584635930 /nfs/dbraw/zinc/63/59/30/584635930.db2.gz RTEIVAVRJPDBJY-CQSZACIVSA-N 2 0 349.435 -0.529 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000884729266 584636671 /nfs/dbraw/zinc/63/66/71/584636671.db2.gz LQLKCWQAFUNVSL-BYNSBNAKSA-N 3 0 341.500 -0.574 20 0 EBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000884787696 584637757 /nfs/dbraw/zinc/63/77/57/584637757.db2.gz ZCHRYERPAACLLM-NWDGAFQWSA-N 2 0 332.395 -0.052 20 0 EBADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NCCOCC[NH2+]C)CC1 ZINC000884812352 584638337 /nfs/dbraw/zinc/63/83/37/584638337.db2.gz OLTJPAJLQPPKPP-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000884820395 584639305 /nfs/dbraw/zinc/63/93/05/584639305.db2.gz QCUMRCOFUNZQJE-UHFFFAOYSA-N 2 0 328.457 -0.199 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCCC(C)(C)[NH3+])CCO1 ZINC000885194718 584645501 /nfs/dbraw/zinc/64/55/01/584645501.db2.gz BVONYKQATKYULH-ZDUSSCGKSA-N 2 0 328.457 -0.201 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCCC(C)(C)[NH3+])C[C@H]1C[NH+](C)C ZINC000885192812 584645567 /nfs/dbraw/zinc/64/55/67/584645567.db2.gz KJNMXACDNILYKG-ZIAGYGMSSA-N 3 0 341.500 -0.572 20 0 EBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000885291683 584647531 /nfs/dbraw/zinc/64/75/31/584647531.db2.gz NOYCUVCPLHCNPA-NEPJUHHUSA-N 2 0 332.395 -0.100 20 0 EBADRP COCCOC[C@H](O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000326820240 649995887 /nfs/dbraw/zinc/99/58/87/649995887.db2.gz IPIXIEYPGFYDNV-OAGGEKHMSA-N 2 0 343.468 -0.410 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000419538460 650009384 /nfs/dbraw/zinc/00/93/84/650009384.db2.gz OSFGVVNNOVDOPC-YOEHRIQHSA-N 2 0 338.452 -0.432 20 0 EBADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC1=O ZINC000425318371 650009880 /nfs/dbraw/zinc/00/98/80/650009880.db2.gz OMKWROBIMZDJQP-HNNXBMFYSA-N 2 0 340.468 -0.377 20 0 EBADRP C[N@@H+]1C[C@@H]2CN(CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C[C@]2(C)C1 ZINC000904438031 650049657 /nfs/dbraw/zinc/04/96/57/650049657.db2.gz VEJYLQMZGJQNPZ-CJNGLKHVSA-N 2 0 335.452 -0.156 20 0 EBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000904968982 650052870 /nfs/dbraw/zinc/05/28/70/650052870.db2.gz GQJWDVWXAVSGQR-AWEZNQCLSA-N 2 0 340.468 -0.247 20 0 EBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)C1 ZINC000904968962 650053024 /nfs/dbraw/zinc/05/30/24/650053024.db2.gz GECWTUIUPDAXBK-CQSZACIVSA-N 2 0 340.468 -0.105 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000904994402 650056748 /nfs/dbraw/zinc/05/67/48/650056748.db2.gz GEQHTEKRZRLGOQ-LSDHHAIUSA-N 2 0 340.468 -0.188 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000904996417 650057646 /nfs/dbraw/zinc/05/76/46/650057646.db2.gz PVPPKIYUCIJJHR-HUUCEWRRSA-N 2 0 338.452 -0.480 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000905015281 650060109 /nfs/dbraw/zinc/06/01/09/650060109.db2.gz OCWNSYKKPCERCV-AWEZNQCLSA-N 2 0 326.441 -0.767 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000905025029 650061610 /nfs/dbraw/zinc/06/16/10/650061610.db2.gz YFGIAFDBGSQRDN-QLFBSQMISA-N 2 0 338.452 -0.624 20 0 EBADRP CC(C)[C@@H](C[NH2+]C[C@H](O)C1(O)CCOCC1)N1CC[NH+](C)CC1 ZINC000905112006 650061739 /nfs/dbraw/zinc/06/17/39/650061739.db2.gz WLQHECAUPPSYMK-CVEARBPZSA-N 2 0 329.485 -0.250 20 0 EBADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@@H](O)C3(O)CCOCC3)C2)CC1 ZINC000905111238 650061893 /nfs/dbraw/zinc/06/18/93/650061893.db2.gz VBZOGUHUJAXMDJ-GDBMZVCRSA-N 2 0 327.469 -0.353 20 0 EBADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000905110733 650061915 /nfs/dbraw/zinc/06/19/15/650061915.db2.gz NYOPHZDCWYEKHW-HZPDHXFCSA-N 2 0 329.485 -0.248 20 0 EBADRP C[NH+](CC(=O)N[C@H](CO)CNC(=O)C[N@@H+](C)C1CCC1)C1CCC1 ZINC000907350873 650081570 /nfs/dbraw/zinc/08/15/70/650081570.db2.gz IGMQBGMQTUDBEZ-ZDUSSCGKSA-N 2 0 340.468 -0.452 20 0 EBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C1CN(C)CC[NH+](C)C1 ZINC000908239201 650099341 /nfs/dbraw/zinc/09/93/41/650099341.db2.gz FSVRKBBSNNVOSX-UHFFFAOYSA-N 2 0 327.517 -0.178 20 0 EBADRP CCN1CC[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000910595649 650115227 /nfs/dbraw/zinc/11/52/27/650115227.db2.gz AFGHAEUGAXJWLT-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+]1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]4C[N@@H+](C)C[C@H]43)C[C@]2(C)C1 ZINC000910906832 650139621 /nfs/dbraw/zinc/13/96/21/650139621.db2.gz RRFLYYAGEVMMHJ-BORJPKMPSA-N 2 0 334.464 -0.051 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000910973554 650142604 /nfs/dbraw/zinc/14/26/04/650142604.db2.gz UXPLAJQICDKGDV-CQSZACIVSA-N 2 0 340.468 -0.188 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000910959944 650142628 /nfs/dbraw/zinc/14/26/28/650142628.db2.gz SYTZYYCIJSGWFF-CQSZACIVSA-N 2 0 326.441 -0.578 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CCCO1 ZINC000910982108 650143766 /nfs/dbraw/zinc/14/37/66/650143766.db2.gz AKIXPCPDXOUWSK-UONOGXRCSA-N 2 0 340.468 -0.282 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000910999258 650144357 /nfs/dbraw/zinc/14/43/57/650144357.db2.gz IMXOEMARXKZQNW-ZDUSSCGKSA-N 2 0 326.441 -0.591 20 0 EBADRP CCC[NH+]1CCC(CNC(=O)C(=O)N2CC[NH2+]C[C@H]2COC)CC1 ZINC000911003335 650144746 /nfs/dbraw/zinc/14/47/46/650144746.db2.gz JFBXRIPLPOQZHE-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000911011391 650145313 /nfs/dbraw/zinc/14/53/13/650145313.db2.gz GBSISJRNYVFBLA-AEGPPILISA-N 2 0 338.452 -0.570 20 0 EBADRP CN(C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1)C1(C[NH3+])CCOCC1 ZINC000911013859 650145626 /nfs/dbraw/zinc/14/56/26/650145626.db2.gz CZXGISNRFVMHDZ-AWEZNQCLSA-N 2 0 340.468 -0.199 20 0 EBADRP C[N@H+](CCCCNC(=O)C(=O)NCCN1CCC([NH3+])CC1)C1CC1 ZINC000911016503 650145639 /nfs/dbraw/zinc/14/56/39/650145639.db2.gz CIDWDESUZHGBCH-UHFFFAOYSA-N 2 0 339.484 -0.484 20 0 EBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911013857 650145675 /nfs/dbraw/zinc/14/56/75/650145675.db2.gz CYGKYXBGQXRKJV-AWEZNQCLSA-N 2 0 339.484 -0.626 20 0 EBADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CC2)[C@@H](C)C1 ZINC000911033330 650146789 /nfs/dbraw/zinc/14/67/89/650146789.db2.gz HWBLKFYOUWFUSC-KBPBESRZSA-N 2 0 340.468 -0.153 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1)C1CC1 ZINC000911053143 650148218 /nfs/dbraw/zinc/14/82/18/650148218.db2.gz METGPXDMHUYVMG-AWEZNQCLSA-N 2 0 338.452 -0.447 20 0 EBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000911056687 650148578 /nfs/dbraw/zinc/14/85/78/650148578.db2.gz YRXUEQIHSHRTIZ-CQSZACIVSA-N 2 0 340.468 -0.057 20 0 EBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC000911074116 650149363 /nfs/dbraw/zinc/14/93/63/650149363.db2.gz ZPAIOLBJJLGDGJ-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP CCCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2COC)CC1 ZINC000911114818 650152295 /nfs/dbraw/zinc/15/22/95/650152295.db2.gz NYEMACMMKUNJGG-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000911146921 650154183 /nfs/dbraw/zinc/15/41/83/650154183.db2.gz CXYYABJJUILUME-VMUDFCTBSA-N 2 0 336.436 -0.694 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C[C@H]1CC[NH3+] ZINC000911148816 650154461 /nfs/dbraw/zinc/15/44/61/650154461.db2.gz RBOFPPBQQWTMCI-APIJFGDWSA-N 2 0 338.452 -0.591 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911157873 650155003 /nfs/dbraw/zinc/15/50/03/650155003.db2.gz WLWXGDHHMBUECD-HUUCEWRRSA-N 2 0 334.420 -0.578 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000911176932 650157038 /nfs/dbraw/zinc/15/70/38/650157038.db2.gz QMVOKEYCCNFGKR-KGLIPLIRSA-N 2 0 328.457 -0.486 20 0 EBADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000911182675 650157172 /nfs/dbraw/zinc/15/71/72/650157172.db2.gz FFAWTUXEUBLTSU-AWEZNQCLSA-N 2 0 326.441 -0.588 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CCSC1 ZINC000911201007 650158937 /nfs/dbraw/zinc/15/89/37/650158937.db2.gz VCERFFAEQZZFQV-ABAIWWIYSA-N 2 0 328.482 -0.346 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911196271 650159038 /nfs/dbraw/zinc/15/90/38/650159038.db2.gz WCZYEPUEXIDPTO-HUUCEWRRSA-N 2 0 340.468 -0.138 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911196435 650159153 /nfs/dbraw/zinc/15/91/53/650159153.db2.gz XPWXMQNIEAEUPU-YOEHRIQHSA-N 2 0 338.452 -0.432 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC000911206390 650159592 /nfs/dbraw/zinc/15/95/92/650159592.db2.gz DJVFUTCYDMBROL-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000911214312 650160208 /nfs/dbraw/zinc/16/02/08/650160208.db2.gz BDSIOXDNMZAHEA-SOUVJXGZSA-N 2 0 338.452 -0.434 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911232023 650161516 /nfs/dbraw/zinc/16/15/16/650161516.db2.gz RFUKKGWBHDHRMR-AWEZNQCLSA-N 2 0 328.457 -0.281 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000911231151 650161553 /nfs/dbraw/zinc/16/15/53/650161553.db2.gz VFFVRIUGWDDTHP-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000911230196 650161560 /nfs/dbraw/zinc/16/15/60/650161560.db2.gz OSTJOLUZNNGSHA-ZIAGYGMSSA-N 2 0 338.452 -0.528 20 0 EBADRP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000911239009 650162469 /nfs/dbraw/zinc/16/24/69/650162469.db2.gz XVSUZPJLPIZHDT-PBHICJAKSA-N 2 0 338.452 -0.568 20 0 EBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911257306 650163558 /nfs/dbraw/zinc/16/35/58/650163558.db2.gz GODPXEPFFROVFV-CYBMUJFWSA-N 2 0 327.473 -0.628 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000911265772 650163979 /nfs/dbraw/zinc/16/39/79/650163979.db2.gz DQBHOBBOEWSDOT-JKSUJKDBSA-N 2 0 348.447 -0.148 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000911268639 650164367 /nfs/dbraw/zinc/16/43/67/650164367.db2.gz SLXDZEDHTWMNSW-CQSZACIVSA-N 2 0 328.457 -0.332 20 0 EBADRP [NH3+]C1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000911269500 650164459 /nfs/dbraw/zinc/16/44/59/650164459.db2.gz LCGSPTSUXQBTQS-GJZGRUSLSA-N 2 0 337.468 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CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911338165 650172242 /nfs/dbraw/zinc/17/22/42/650172242.db2.gz ZDOBEWIXOGAFOO-CQSZACIVSA-N 2 0 325.457 -0.874 20 0 EBADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000911358309 650174783 /nfs/dbraw/zinc/17/47/83/650174783.db2.gz NWIUFSNCQNNFEI-UHFFFAOYSA-N 2 0 339.484 -0.613 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911373291 650176340 /nfs/dbraw/zinc/17/63/40/650176340.db2.gz CDKGSNPPKPSKMW-RBSFLKMASA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000911382458 650177438 /nfs/dbraw/zinc/17/74/38/650177438.db2.gz LMGRCUQMXLXYFK-KGLIPLIRSA-N 2 0 331.420 -0.298 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCSC[C@H]23)CC[C@H]1[NH3+] ZINC000911419318 650181878 /nfs/dbraw/zinc/18/18/78/650181878.db2.gz MJJXNHXAQOQZKA-AAVRWANBSA-N 2 0 340.493 -0.122 20 0 EBADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN3CCSC[C@H]23)C1 ZINC000911421888 650182757 /nfs/dbraw/zinc/18/27/57/650182757.db2.gz XWEFKBYIAOCJKB-RWMBFGLXSA-N 2 0 326.466 -0.510 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1)C[NH+](C)C ZINC000911432972 650182958 /nfs/dbraw/zinc/18/29/58/650182958.db2.gz ACYKBNOEYWQZRD-ZDUSSCGKSA-N 2 0 344.456 -0.964 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2)C[NH+](C)C ZINC000911433911 650183564 /nfs/dbraw/zinc/18/35/64/650183564.db2.gz DZSWOACICFJURN-PBHICJAKSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCCCCCN2CC[NH2+]CC2)C1 ZINC000911436961 650183878 /nfs/dbraw/zinc/18/38/78/650183878.db2.gz SYKICBSCPCMIKL-HNNXBMFYSA-N 2 0 339.484 -0.612 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1)C[NH+](C)C ZINC000911436538 650183932 /nfs/dbraw/zinc/18/39/32/650183932.db2.gz VBEMNHQTJMVCER-TZMCWYRMSA-N 2 0 328.457 -0.345 20 0 EBADRP [NH3+]CCCn1ccc(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000911703380 650195773 /nfs/dbraw/zinc/19/57/73/650195773.db2.gz ZFPWJCOMRFALPE-AWEZNQCLSA-N 2 0 348.451 -0.484 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1csc(N)n1 ZINC000911568790 650194575 /nfs/dbraw/zinc/19/45/75/650194575.db2.gz WCDJBMFADJQSFU-UHFFFAOYSA-N 2 0 342.469 -0.707 20 0 EBADRP [NH3+][C@H]1CCc2cc(C(=O)NCCCN3CC[NH2+]CC3)ccc2NC1=O ZINC000911631129 650195104 /nfs/dbraw/zinc/19/51/04/650195104.db2.gz YQKPJHFZNRPDHA-HNNXBMFYSA-N 2 0 345.447 -0.076 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)C[C@H](C)O1 ZINC000911527960 650190639 /nfs/dbraw/zinc/19/06/39/650190639.db2.gz MQUFBCOVUMSWHD-MJBXVCDLSA-N 2 0 340.468 -0.284 20 0 EBADRP C/C(=C\C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)CN1CCOCC1 ZINC000912991311 650217101 /nfs/dbraw/zinc/21/71/01/650217101.db2.gz AETOJPMFKDMZTA-ZQHYZAEZSA-N 2 0 338.452 -0.279 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@@H+]1C ZINC000919517282 650302103 /nfs/dbraw/zinc/30/21/03/650302103.db2.gz NCJYDOCABGBSJC-RDBSUJKOSA-N 2 0 325.457 -0.034 20 0 EBADRP O=C(NC[C@@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1)[C@H]1CCC[NH2+]1 ZINC000923329714 650338258 /nfs/dbraw/zinc/33/82/58/650338258.db2.gz XXKMIKPECHFDGJ-ARFHVFGLSA-N 3 0 336.480 -0.055 20 0 EBADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CNC(C[NH3+])C[NH3+])CC1 ZINC000923354840 650338564 /nfs/dbraw/zinc/33/85/64/650338564.db2.gz WFIXODYZZHHMOY-UHFFFAOYSA-N 3 0 333.480 -0.095 20 0 EBADRP COC[C@H](C)OC[C@H](O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923416266 650339377 /nfs/dbraw/zinc/33/93/77/650339377.db2.gz VACQPBAIVGZNGY-JARUQAPTSA-N 2 0 343.424 -0.734 20 0 EBADRP COC(=O)CCN1CC[C@H]([NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1=O ZINC000923447685 650340991 /nfs/dbraw/zinc/34/09/91/650340991.db2.gz VZNWOCQOYFICIU-KGLIPLIRSA-N 2 0 339.436 -0.020 20 0 EBADRP CN(C)S(=O)(=O)c1ccc(CN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923459342 650341036 /nfs/dbraw/zinc/34/10/36/650341036.db2.gz GAPNNMGANDWNAQ-UHFFFAOYSA-N 2 0 326.466 -0.068 20 0 EBADRP C[C@@H]1C[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CC[C@@H]1C[NH3+] ZINC000923496436 650342031 /nfs/dbraw/zinc/34/20/31/650342031.db2.gz IILOSHZXMGMJLA-CHWSQXEVSA-N 2 0 334.486 -0.699 20 0 EBADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CC[C@H](CC[NH3+])C1)c(=O)n2C ZINC000923481824 650342115 /nfs/dbraw/zinc/34/21/15/650342115.db2.gz MIIQMDPELLTTSZ-LBPRGKRZSA-N 2 0 334.424 -0.506 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000923606457 650346721 /nfs/dbraw/zinc/34/67/21/650346721.db2.gz OLLVMFPYSFBZAA-CQSZACIVSA-N 2 0 346.497 -0.446 20 0 EBADRP O=S(=O)(NCCCN1CCN(c2cc[nH+]cc2)CC1)C1C[NH2+]C1 ZINC000923601836 650346780 /nfs/dbraw/zinc/34/67/80/650346780.db2.gz YCSOEYFOVZENQV-UHFFFAOYSA-N 2 0 339.465 -0.515 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000923606454 650346959 /nfs/dbraw/zinc/34/69/59/650346959.db2.gz OLLVMFPYSFBZAA-AWEZNQCLSA-N 2 0 346.497 -0.446 20 0 EBADRP C[NH+](C)C[C@@H]1NC(=O)N(Cc2cccnc2N2CC[NH+](C)CC2)C1=O ZINC000924538698 650365069 /nfs/dbraw/zinc/36/50/69/650365069.db2.gz LYLAVPMZMXFMCR-AWEZNQCLSA-N 2 0 346.435 -0.185 20 0 EBADRP CC(C)[NH+]1CCN(CCCC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2C)CC1 ZINC000924980721 650369596 /nfs/dbraw/zinc/36/95/96/650369596.db2.gz UMMPNEVIRHHQNS-HOTGVXAUSA-N 2 0 326.485 -0.026 20 0 EBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000925155329 650373392 /nfs/dbraw/zinc/37/33/92/650373392.db2.gz FHECTPOLHMOYMH-GUTXKFCHSA-N 2 0 328.482 -0.068 20 0 EBADRP CC1(C)[C@@H]([NH2+]CCN2CCN(S(C)(=O)=O)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925489558 650379673 /nfs/dbraw/zinc/37/96/73/650379673.db2.gz KTKXCWDKOUQEQT-ILXRZTDVSA-N 2 0 344.525 -0.070 20 0 EBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926305813 650385250 /nfs/dbraw/zinc/38/52/50/650385250.db2.gz DLTSGEJRBRJEHF-CZUORRHYSA-N 2 0 326.441 -0.901 20 0 EBADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926323261 650386191 /nfs/dbraw/zinc/38/61/91/650386191.db2.gz ZUNBFLMCJBVZNZ-SUMWQHHRSA-N 2 0 340.468 -0.513 20 0 EBADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926347590 650387915 /nfs/dbraw/zinc/38/79/15/650387915.db2.gz GEISIQRMDFLWDY-UHFFFAOYSA-N 2 0 341.500 -0.412 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C[C@H]1[NH3+] ZINC000926348228 650388082 /nfs/dbraw/zinc/38/80/82/650388082.db2.gz RITFNVRASHBTHT-RBSFLKMASA-N 2 0 338.452 -0.637 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCNCC[NH2+]CC2)C[C@@H]1C ZINC000926345031 650388108 /nfs/dbraw/zinc/38/81/08/650388108.db2.gz NAWDPRXXOVDJGY-GJZGRUSLSA-N 2 0 339.484 -0.661 20 0 EBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000926351236 650388607 /nfs/dbraw/zinc/38/86/07/650388607.db2.gz HTFOTMLLBRMZPF-BBRMVZONSA-N 2 0 326.441 -0.901 20 0 EBADRP CCO[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1)C[NH+](C)C ZINC000926843511 651496666 /nfs/dbraw/zinc/49/66/66/651496666.db2.gz FERGPQWTRRIICP-KBPBESRZSA-N 2 0 344.456 -0.301 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C[NH+](C)C ZINC000929568814 651555027 /nfs/dbraw/zinc/55/50/27/651555027.db2.gz QETOGRSFKSWGHG-RBSFLKMASA-N 2 0 340.468 -0.188 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000929895396 651570806 /nfs/dbraw/zinc/57/08/06/651570806.db2.gz PTYJMVDUHUABAY-UHFFFAOYSA-N 2 0 337.424 -0.542 20 0 EBADRP C[C@H](CNC(=O)Cc1n[nH]cc1C(=O)NC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000930097801 651583087 /nfs/dbraw/zinc/58/30/87/651583087.db2.gz KDSMBXSYODKIQG-NEPJUHHUSA-N 2 0 338.456 -0.302 20 0 EBADRP CC[NH+]1CCC(NC(=O)CN2CCC(O)(C[NH+](C)C)CC2)CC1 ZINC000931488356 651634438 /nfs/dbraw/zinc/63/44/38/651634438.db2.gz QCCONDDPSGHWBS-UHFFFAOYSA-N 2 0 326.485 -0.025 20 0 EBADRP C[C@@H](O)C[NH+]1CC(N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000941410631 652722324 /nfs/dbraw/zinc/72/23/24/652722324.db2.gz JWWYMBJEKQVOGJ-RHSMWYFYSA-N 2 0 336.480 -0.463 20 0 EBADRP O=C([C@H]1CCCc2nccn21)N1CCN(C2C[NH+](CCCO)C2)CC1 ZINC000941437203 652737566 /nfs/dbraw/zinc/73/75/66/652737566.db2.gz VJNFSKGIAADEGP-MRXNPFEDSA-N 2 0 347.463 -0.029 20 0 EBADRP C[C@@H](O)C[NH+]1CC(N2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC000941595213 652822508 /nfs/dbraw/zinc/82/25/08/652822508.db2.gz GJKJGVCXUIZJQW-OAHLLOKOSA-N 2 0 338.496 -0.073 20 0 EBADRP CC[C@H](C(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1)[NH+](C)C ZINC000946924897 653270545 /nfs/dbraw/zinc/27/05/45/653270545.db2.gz LEURXWMPGWOSSQ-CHWSQXEVSA-N 2 0 326.441 -0.842 20 0 EBADRP C[C@H]1CN(Cc2nc(=O)n(C)[nH]2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944943471 653298254 /nfs/dbraw/zinc/29/82/54/653298254.db2.gz IHCVWBRSVWDSLJ-STQMWFEESA-N 2 0 336.440 -0.469 20 0 EBADRP Cn1nnnc1C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000965912230 724538951 /nfs/dbraw/zinc/53/89/51/724538951.db2.gz ISKHOJFPJWAQLF-MPXNVAGNSA-N 2 0 333.440 -0.321 20 0 EBADRP O=C(C[NH+]1CCCC1)NC1CC2(C1)CC([NH2+][C@@H]1CCC(=O)NC1=O)C2 ZINC000965915751 724539381 /nfs/dbraw/zinc/53/93/81/724539381.db2.gz KARVPFWCVRZKSK-QQJWGNSGSA-N 2 0 348.447 -0.096 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CC3(CC(NC(=O)C[NH+]4CCCC4)C3)C2)nc1=O ZINC000965922647 724540977 /nfs/dbraw/zinc/54/09/77/724540977.db2.gz CYPAVMIWOAVDRQ-UHFFFAOYSA-N 2 0 348.451 -0.279 20 0 EBADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000954315771 719663367 /nfs/dbraw/zinc/66/33/67/719663367.db2.gz JHLHPDYKQOYTGD-HOCLYGCPSA-N 2 0 334.464 -0.051 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000954843490 719934897 /nfs/dbraw/zinc/93/48/97/719934897.db2.gz VEJJGPIRUUSQDR-DZGCQCFKSA-N 2 0 334.464 -0.051 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2C[N@H+](CC3CC3)C[C@@H]2O)n1 ZINC000958076333 722301406 /nfs/dbraw/zinc/30/14/06/722301406.db2.gz DRBWOBRWGKVVOE-ZBFHGGJFSA-N 2 0 335.452 -0.123 20 0 EBADRP O=C(NC[C@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC000958214909 722328733 /nfs/dbraw/zinc/32/87/33/722328733.db2.gz OJMKLAMVNZHZIZ-LSDHHAIUSA-N 2 0 348.451 -0.685 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC000958215258 722328870 /nfs/dbraw/zinc/32/88/70/722328870.db2.gz VHNUMKKMOCBAJH-CVEARBPZSA-N 2 0 347.463 -0.080 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCCO)C[C@H]2O)CC1 ZINC000958554559 722390189 /nfs/dbraw/zinc/39/01/89/722390189.db2.gz GBEBVJXYDRNXIR-HZPDHXFCSA-N 2 0 327.469 -0.102 20 0 EBADRP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000958850589 722618154 /nfs/dbraw/zinc/61/81/54/722618154.db2.gz IGAKYDBCIBDRSS-KBXIAJHMSA-N 2 0 338.452 -0.938 20 0 EBADRP CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1)[NH+](C)C ZINC001019000793 728770557 /nfs/dbraw/zinc/77/05/57/728770557.db2.gz QDTUXOPNORXQSZ-KBPBESRZSA-N 2 0 325.457 -0.212 20 0 EBADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1)C(N)=O ZINC001019038920 728779006 /nfs/dbraw/zinc/77/90/06/728779006.db2.gz IMIQQVABMKZHGN-KBPBESRZSA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CCN4CCCC4=O)C[C@H]32)CC1 ZINC000961663279 723054370 /nfs/dbraw/zinc/05/43/70/723054370.db2.gz MLWODKUOXPMFRI-QLPKVWCKSA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)C12CCC[NH+]1CCC2 ZINC001019088036 728793047 /nfs/dbraw/zinc/79/30/47/728793047.db2.gz KKYLHORLZNCQIF-STQMWFEESA-N 2 0 334.420 -0.390 20 0 EBADRP CN(C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1)C1CC1 ZINC000962297428 723220349 /nfs/dbraw/zinc/22/03/49/723220349.db2.gz ZLKPZWCIOGHMOY-CTNYNGJSSA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1)C(N)=O ZINC001019131399 728806659 /nfs/dbraw/zinc/80/66/59/728806659.db2.gz UGXZVWPCCLYPKE-NEPJUHHUSA-N 2 0 328.376 -0.055 20 0 EBADRP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001019169909 728815119 /nfs/dbraw/zinc/81/51/19/728815119.db2.gz QAMCQZIANAZZSD-KRIMKBQASA-N 2 0 346.435 -0.668 20 0 EBADRP C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H](O)C2)CCC1 ZINC000963382002 723414219 /nfs/dbraw/zinc/41/42/19/723414219.db2.gz FNJPENABKNMLRJ-MCIONIFRSA-N 2 0 338.452 -0.890 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC[N@@H+]1C ZINC001019290267 728849352 /nfs/dbraw/zinc/84/93/52/728849352.db2.gz YKHGHYLZFKAVSH-XDQVBPFNSA-N 2 0 336.436 -0.288 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1nnnn1C)C2 ZINC000965061412 724110850 /nfs/dbraw/zinc/11/08/50/724110850.db2.gz CFUWOAFLBSRXDK-XQEWBXBTSA-N 2 0 347.467 -0.075 20 0 EBADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1)C(N)=O ZINC001019497225 728901345 /nfs/dbraw/zinc/90/13/45/728901345.db2.gz PIFMJSHJEOWRAR-KBPBESRZSA-N 2 0 336.440 -0.487 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000968702120 725105728 /nfs/dbraw/zinc/10/57/28/725105728.db2.gz DIDULWNLBBKBDZ-ZIAGYGMSSA-N 2 0 349.435 -0.930 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CC[C@H]([NH2+]CC(=O)N3CCC3)C2)CC1 ZINC001019574708 728925463 /nfs/dbraw/zinc/92/54/63/728925463.db2.gz PNDIQTWFLZWRRE-AWEZNQCLSA-N 2 0 338.452 -0.480 20 0 EBADRP Cn1cncc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000969407559 725177288 /nfs/dbraw/zinc/17/72/88/725177288.db2.gz KFTATPDZSVTEAJ-DYDBFVOFSA-N 2 0 345.447 -0.026 20 0 EBADRP C[C@@H](NC(=O)[C@@H]1CN(C)CCO1)C1C[NH+](Cc2ccn(C)c(=O)c2)C1 ZINC000969442957 725181363 /nfs/dbraw/zinc/18/13/63/725181363.db2.gz VKWMGZXTHQBTLQ-CJNGLKHVSA-N 2 0 348.447 -0.348 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)CC1 ZINC000970357468 725282707 /nfs/dbraw/zinc/28/27/07/725282707.db2.gz PNDIQTWFLZWRRE-CQSZACIVSA-N 2 0 338.452 -0.480 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC000970482618 725295544 /nfs/dbraw/zinc/29/55/44/725295544.db2.gz XJVYSJRHIOJXTD-CHWSQXEVSA-N 2 0 337.424 -0.930 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC000970717964 725320062 /nfs/dbraw/zinc/32/00/62/725320062.db2.gz PWAYSCGKRFTIEN-CQSZACIVSA-N 2 0 344.481 -0.692 20 0 EBADRP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](CCN2C(=O)CCC2=O)C1 ZINC000970877675 725336813 /nfs/dbraw/zinc/33/68/13/725336813.db2.gz IDECVONCNCEVKO-STQMWFEESA-N 2 0 336.436 -0.476 20 0 EBADRP C[N@H+](CCN1C(=O)CCC1=O)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000971202220 725353756 /nfs/dbraw/zinc/35/37/56/725353756.db2.gz UNLJFPLXNAYORR-ZIAGYGMSSA-N 2 0 336.436 -0.238 20 0 EBADRP Cc1cncn1CC(=O)N1CC[C@H]([N@H+](C)CCN2C(=O)CNC2=O)C1 ZINC000971950174 725450676 /nfs/dbraw/zinc/45/06/76/725450676.db2.gz QMAPWKXEDQMDQU-ZDUSSCGKSA-N 2 0 348.407 -0.724 20 0 EBADRP C[N@H+](CCN1CCNC1=O)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972234636 725481644 /nfs/dbraw/zinc/48/16/44/725481644.db2.gz IIWKQZXJBQYLCT-HNNXBMFYSA-N 2 0 337.468 -0.114 20 0 EBADRP Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CCO1 ZINC001051655315 735295872 /nfs/dbraw/zinc/29/58/72/735295872.db2.gz ZTMMRABZSXRGHT-GJZGRUSLSA-N 2 0 336.440 -0.528 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC000991714463 725566401 /nfs/dbraw/zinc/56/64/01/725566401.db2.gz YKQQFPHUDJHXHA-HGGZBGRVSA-N 2 0 348.447 -0.872 20 0 EBADRP C[N@H+]([C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@H]1CCC(=O)NC1=O ZINC000972735566 725588462 /nfs/dbraw/zinc/58/84/62/725588462.db2.gz NSPPSVRSSFTFIC-OLZOCXBDSA-N 2 0 334.420 -0.580 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC(NC(=O)C[NH+]3CCCC3)C2)n1 ZINC000991745138 725598882 /nfs/dbraw/zinc/59/88/82/725598882.db2.gz ADVVNHXBWLBBEH-UHFFFAOYSA-N 2 0 348.451 -0.519 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000991891049 725667985 /nfs/dbraw/zinc/66/79/85/725667985.db2.gz SPIZLXZADSTFCV-XJKSGUPXSA-N 2 0 334.464 -0.003 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1)C1CC1 ZINC000991896467 725670717 /nfs/dbraw/zinc/67/07/17/725670717.db2.gz WBDAAFLJIKKQRF-JKSUJKDBSA-N 2 0 334.464 -0.005 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000992061340 725712641 /nfs/dbraw/zinc/71/26/41/725712641.db2.gz YDJRXKPDYIXORW-HNNXBMFYSA-N 2 0 348.451 -0.521 20 0 EBADRP Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC001051686342 735323932 /nfs/dbraw/zinc/32/39/32/735323932.db2.gz WJXBDGHHWWIUMC-GJZGRUSLSA-N 2 0 336.440 -0.384 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000976286603 726254222 /nfs/dbraw/zinc/25/42/22/726254222.db2.gz QWEXWTNOCYGMMI-NPJQDHAYSA-N 2 0 334.464 -0.006 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000976560398 726350719 /nfs/dbraw/zinc/35/07/19/726350719.db2.gz WCRSUQPNGUIDDT-FIDHJVLJSA-N 2 0 346.475 -0.005 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000996439781 726393945 /nfs/dbraw/zinc/39/39/45/726393945.db2.gz FFPFBJUWVMCMGP-XJKSGUPXSA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(NC1CN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1)C12CC[NH+](CC1)C2 ZINC000996476186 726402994 /nfs/dbraw/zinc/40/29/94/726402994.db2.gz UMLBJGTWRGIOTH-GJZGRUSLSA-N 2 0 348.447 -0.728 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1)C1CC1 ZINC000996681247 726422087 /nfs/dbraw/zinc/42/20/87/726422087.db2.gz YMLUTOKNRZBGGS-HIFRSBDPSA-N 2 0 336.436 -0.288 20 0 EBADRP NC(=O)C[NH2+]C1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000996787500 726427192 /nfs/dbraw/zinc/42/71/92/726427192.db2.gz ZPYSWXYTVUPLTM-UHFFFAOYSA-N 2 0 328.376 -0.053 20 0 EBADRP CC(C)[C@H](C(=O)N1CCC([NH2+][C@H]2CCC(=O)NC2=O)CC1)[NH+](C)C ZINC000996963650 726433853 /nfs/dbraw/zinc/43/38/53/726433853.db2.gz GMYDTNJPOJAKSM-DZGCQCFKSA-N 2 0 338.452 -0.042 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]CCN2CCNC2=O)CC1 ZINC000997003944 726434627 /nfs/dbraw/zinc/43/46/27/726434627.db2.gz AWRQWDNAROWAMH-ZFWWWQNUSA-N 2 0 337.468 -0.210 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000997053218 726436051 /nfs/dbraw/zinc/43/60/51/726436051.db2.gz HSSHWHUGRXJGJK-VTPHYOBMSA-N 2 0 348.447 -0.729 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]CC(=O)N3CCOCC3)CC2)C1 ZINC000997296679 726445438 /nfs/dbraw/zinc/44/54/38/726445438.db2.gz AZZDMRUOFQLROI-CQSZACIVSA-N 2 0 338.452 -0.623 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCC(C[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC000998269942 726482958 /nfs/dbraw/zinc/48/29/58/726482958.db2.gz RQKRTYQKUJJKHS-AWEZNQCLSA-N 2 0 336.436 -0.284 20 0 EBADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]CCN2C(=O)CCC2=O)C1 ZINC000998537026 726490263 /nfs/dbraw/zinc/49/02/63/726490263.db2.gz YTOVNOOGAXMGTA-RUXDESIVSA-N 2 0 336.436 -0.191 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC000999176481 726509920 /nfs/dbraw/zinc/50/99/20/726509920.db2.gz WNUSQLNOTZOWND-JKSUJKDBSA-N 2 0 349.479 -0.066 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]CCN3CCNC3=O)C2)C1 ZINC000999407064 726518735 /nfs/dbraw/zinc/51/87/35/726518735.db2.gz CNNIYTUCZADBQK-WLYUNCDWSA-N 2 0 337.468 -0.068 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC000999481178 726520448 /nfs/dbraw/zinc/52/04/48/726520448.db2.gz CQMUCPNLWUZOQP-CHWSQXEVSA-N 2 0 339.440 -0.541 20 0 EBADRP CN(C(=O)c1cnn(CC[NH+](C)C)c1)C1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC000999538481 726522029 /nfs/dbraw/zinc/52/20/29/726522029.db2.gz QZXPHPIXDLBYKB-YMAMQOFZSA-N 2 0 348.451 -0.474 20 0 EBADRP O=C(N1CCC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001000714414 726575832 /nfs/dbraw/zinc/57/58/32/726575832.db2.gz ZWSXTIMGILTYEF-ZDUSSCGKSA-N 2 0 349.435 -0.785 20 0 EBADRP Cc1nc[nH]c1CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001000797663 726578306 /nfs/dbraw/zinc/57/83/06/726578306.db2.gz QRJHRXYAYSDUDO-NWDGAFQWSA-N 2 0 333.392 -0.354 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC[NH+](CCN2CCNC2=O)CC1 ZINC001001265494 726599829 /nfs/dbraw/zinc/59/98/29/726599829.db2.gz TZGLPVGZSZGBBC-OAHLLOKOSA-N 2 0 337.468 -0.066 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC2=CC[NH+](C[C@H](O)Cn3cccn3)CC2)C1 ZINC001001446419 726606617 /nfs/dbraw/zinc/60/66/17/726606617.db2.gz NGOVUXIXOVQQAV-IRXDYDNUSA-N 2 0 347.463 -0.056 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CC[NH+](CCN3CCNC3=O)CC2)C1 ZINC001002128478 726633568 /nfs/dbraw/zinc/63/35/68/726633568.db2.gz YFOVPUNUEOPWPM-OAHLLOKOSA-N 2 0 337.468 -0.209 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001003629356 726682637 /nfs/dbraw/zinc/68/26/37/726682637.db2.gz ZOZXGXCUXBGLGP-TZMCWYRMSA-N 2 0 336.436 -0.144 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](CCN2CCNC2=O)CC1 ZINC001003633704 726682839 /nfs/dbraw/zinc/68/28/39/726682839.db2.gz HGZUCXKLEFNEOV-DZGCQCFKSA-N 2 0 337.468 -0.210 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC2CC[NH+](CCN3CCNC3=O)CC2)C1 ZINC001003976388 726696515 /nfs/dbraw/zinc/69/65/15/726696515.db2.gz RDEOGJSHNZKDRZ-AWEZNQCLSA-N 2 0 337.468 -0.066 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](CCN3C(=O)CNC3=O)CC2)C1 ZINC001004150255 726701592 /nfs/dbraw/zinc/70/15/92/726701592.db2.gz QSTBEZNHQODINV-GFCCVEGCSA-N 2 0 337.424 -0.930 20 0 EBADRP CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC001004177777 726702214 /nfs/dbraw/zinc/70/22/14/726702214.db2.gz ASOWKBDGICYTMW-KBPBESRZSA-N 2 0 326.441 -0.448 20 0 EBADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001006401376 726767808 /nfs/dbraw/zinc/76/78/08/726767808.db2.gz RCQHONPCQCPFHF-GXTWGEPZSA-N 2 0 336.436 -0.334 20 0 EBADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001006401380 726767881 /nfs/dbraw/zinc/76/78/81/726767881.db2.gz RCQHONPCQCPFHF-JSGCOSHPSA-N 2 0 336.436 -0.334 20 0 EBADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001006457337 726769968 /nfs/dbraw/zinc/76/99/68/726769968.db2.gz OOIDWAILSBVGFC-UONOGXRCSA-N 2 0 334.464 -0.003 20 0 EBADRP Cc1cncn1CC(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001009077379 726854006 /nfs/dbraw/zinc/85/40/06/726854006.db2.gz RWWFTZHFGOZSIU-FPCVCCKLSA-N 2 0 345.447 -0.036 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001011658042 727553827 /nfs/dbraw/zinc/55/38/27/727553827.db2.gz YYOSTWXXIZTLBT-CABCVRRESA-N 2 0 334.464 -0.049 20 0 EBADRP Cn1nccc1C[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001051905136 735456361 /nfs/dbraw/zinc/45/63/61/735456361.db2.gz ZDSGFFRPTTYFLR-HNNXBMFYSA-N 2 0 333.436 -0.167 20 0 EBADRP Cn1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CCO2)cc1=O ZINC001051930019 735468855 /nfs/dbraw/zinc/46/88/55/735468855.db2.gz GWIDOHJTARZLOH-JKSUJKDBSA-N 2 0 348.447 -0.346 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnns3)C2)C1 ZINC001051932427 735470620 /nfs/dbraw/zinc/47/06/20/735470620.db2.gz QCFAZBVEEMRZFF-VXGBXAGGSA-N 2 0 325.438 -0.193 20 0 EBADRP CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001051934473 735472341 /nfs/dbraw/zinc/47/23/41/735472341.db2.gz PRDNAFQXVHBOJT-OAHLLOKOSA-N 2 0 336.440 -0.289 20 0 EBADRP CC(C)[C@@H](C(=O)N1CC[C@@H](N2CC[NH+](CCO)CC2)C1)[NH+](C)C ZINC001052037161 735514751 /nfs/dbraw/zinc/51/47/51/735514751.db2.gz FPHOVAMTOFQZID-CVEARBPZSA-N 2 0 326.485 -0.217 20 0 EBADRP O=C(N[C@@H]1CC12CC[NH+](CCO)CC2)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001016740595 728499992 /nfs/dbraw/zinc/49/99/92/728499992.db2.gz KYLBDOVJLPETEM-QRHJNKNDSA-N 2 0 335.448 -0.187 20 0 EBADRP O=C(N[C@H]1CC12CC[NH+]([C@@H]1CCNC1=O)CC2)C12CC[NH+](CC1)C2 ZINC001016929653 728527146 /nfs/dbraw/zinc/52/71/46/728527146.db2.gz CHCWRCAEUSOCQE-KGLIPLIRSA-N 2 0 332.448 -0.059 20 0 EBADRP C[C@H](O)C[NH+]1CCN([C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001052074060 735533816 /nfs/dbraw/zinc/53/38/16/735533816.db2.gz SLWLYYWUUOTQQQ-RDJZCZTQSA-N 2 0 338.496 -0.073 20 0 EBADRP C[C@H](O)C[NH+]1CCN([C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001052074058 735533829 /nfs/dbraw/zinc/53/38/29/735533829.db2.gz SLWLYYWUUOTQQQ-DOTOQJQBSA-N 2 0 338.496 -0.073 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001018853976 728695342 /nfs/dbraw/zinc/69/53/42/728695342.db2.gz AWTWTEFKTNOQOJ-GJZGRUSLSA-N 2 0 348.447 -0.332 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001018867216 728696444 /nfs/dbraw/zinc/69/64/44/728696444.db2.gz JOQUHHRJVZOEKI-HZSPNIEDSA-N 2 0 336.436 -0.334 20 0 EBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)CC1 ZINC001020166198 729089174 /nfs/dbraw/zinc/08/91/74/729089174.db2.gz SQXIMOZPGIZXQV-FPCVCCKLSA-N 2 0 325.453 -0.038 20 0 EBADRP Cc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)[nH]1 ZINC001020179027 729092110 /nfs/dbraw/zinc/09/21/10/729092110.db2.gz LGLDWPJAOQPKGH-AAVRWANBSA-N 2 0 334.424 -0.287 20 0 EBADRP O=C(N[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)c1ccc2c[nH+]cn2c1 ZINC001020396223 729158056 /nfs/dbraw/zinc/15/80/56/729158056.db2.gz KSBULGPLGALXBX-OBJOEFQTSA-N 2 0 341.371 -0.010 20 0 EBADRP Cn1cnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001020405777 729159836 /nfs/dbraw/zinc/15/98/36/729159836.db2.gz BWISJMVEPSCEDM-DEWJTKQSSA-N 2 0 346.435 -0.585 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3nnc4n3CCOC4)C2)C1 ZINC001020589184 729205577 /nfs/dbraw/zinc/20/55/77/729205577.db2.gz YNDFWDQUQABXRW-MGPQQGTHSA-N 2 0 348.451 -0.113 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001020591969 729206441 /nfs/dbraw/zinc/20/64/41/729206441.db2.gz XYGBTQOUXPUXBI-AVGNSLFASA-N 2 0 336.436 -0.240 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001020591426 729206568 /nfs/dbraw/zinc/20/65/68/729206568.db2.gz NHZHMNCGTMWOEX-HDJSIYSDSA-N 2 0 337.468 -0.020 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001020929125 729257756 /nfs/dbraw/zinc/25/77/56/729257756.db2.gz URTJWZYYRMJWGJ-LXTVHRRPSA-N 2 0 343.493 0.000 20 0 EBADRP O=C(N[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001020985658 729262396 /nfs/dbraw/zinc/26/23/96/729262396.db2.gz GITTVLZPILLIGB-MRHIQRDNSA-N 2 0 334.420 -0.486 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(N)=O)n1 ZINC001021260693 729299484 /nfs/dbraw/zinc/29/94/84/729299484.db2.gz ZEWDBQHVROJQJX-AGUYFDCRSA-N 2 0 348.451 -0.345 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001022067861 729451758 /nfs/dbraw/zinc/45/17/58/729451758.db2.gz ACHYYIFMTMDHMI-CRWXNKLISA-N 2 0 336.436 -0.099 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001022067872 729451778 /nfs/dbraw/zinc/45/17/78/729451778.db2.gz ACHYYIFMTMDHMI-XJFOESAGSA-N 2 0 336.436 -0.099 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1)C(N)=O ZINC001022195568 729465526 /nfs/dbraw/zinc/46/55/26/729465526.db2.gz DIGOYUUPZFKGHB-CXTNEJHOSA-N 2 0 338.452 -0.260 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)nc1=O ZINC001022279377 729473454 /nfs/dbraw/zinc/47/34/54/729473454.db2.gz WVPMLCBPPPMKTH-RFQIPJPRSA-N 2 0 348.451 -0.138 20 0 EBADRP O=C(N[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)c1ccn2c[nH+]cc2c1 ZINC001022370290 729486400 /nfs/dbraw/zinc/48/64/00/729486400.db2.gz DRYLUUIMKQAPBO-SCRDCRAPSA-N 2 0 341.371 -0.010 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC1 ZINC001022648423 729521027 /nfs/dbraw/zinc/52/10/27/729521027.db2.gz SQBTZRHYIWUIDU-OKILXGFUSA-N 2 0 336.436 -0.286 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)nc1=O ZINC001022717497 729524938 /nfs/dbraw/zinc/52/49/38/729524938.db2.gz ZCEODGJYPHGKPG-TXEJJXNPSA-N 2 0 336.440 -0.423 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)cn1 ZINC001022838372 729536770 /nfs/dbraw/zinc/53/67/70/729536770.db2.gz MGOWRGPZQBXIEN-MJBXVCDLSA-N 2 0 334.424 -0.816 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCN2CCNC2=O)C1 ZINC001023274108 729654852 /nfs/dbraw/zinc/65/48/52/729654852.db2.gz SUBIRIINWVXWAM-CABCVRRESA-N 2 0 337.468 -0.066 20 0 EBADRP Cn1cncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025799056 730090177 /nfs/dbraw/zinc/09/01/77/730090177.db2.gz RCSCZUUBTKCUQT-CMZRPVNOSA-N 2 0 345.447 -0.170 20 0 EBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001025812875 730094969 /nfs/dbraw/zinc/09/49/69/730094969.db2.gz VOHQYNYSCSMPRR-AALSBFMBSA-N 2 0 334.464 -0.101 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001026040882 730117304 /nfs/dbraw/zinc/11/73/04/730117304.db2.gz SVLSFEADLBVPNX-WSGDXGOYSA-N 2 0 334.420 -0.678 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](C[C@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001026043240 730117451 /nfs/dbraw/zinc/11/74/51/730117451.db2.gz FPJQYTLBRXKMKI-OCABDXPQSA-N 2 0 347.463 -0.368 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001026148542 730126137 /nfs/dbraw/zinc/12/61/37/730126137.db2.gz OPAHQEDUMKLHFY-NPCUJANDSA-N 2 0 349.479 -0.069 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@@H]3C2)cn1 ZINC001026373299 730141329 /nfs/dbraw/zinc/14/13/29/730141329.db2.gz MLUDHFYGRUJMCU-NWANDNLSSA-N 2 0 348.451 -0.630 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nc1=O ZINC001026921793 730170598 /nfs/dbraw/zinc/17/05/98/730170598.db2.gz XGNMCWGOJPNPAX-CHWSQXEVSA-N 2 0 336.440 -0.469 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)nc1=O ZINC001026938667 730173232 /nfs/dbraw/zinc/17/32/32/730173232.db2.gz LGAAPYVYLABVKW-CYBMUJFWSA-N 2 0 348.451 -0.325 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nc1=O ZINC001027171032 730194906 /nfs/dbraw/zinc/19/49/06/730194906.db2.gz SXFVMSWHRMRUBO-CHWSQXEVSA-N 2 0 336.440 -0.612 20 0 EBADRP O=C(N1CC[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001027173819 730194980 /nfs/dbraw/zinc/19/49/80/730194980.db2.gz WKEFKXLROBGJBR-STQMWFEESA-N 2 0 334.420 -0.675 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001027217892 730199784 /nfs/dbraw/zinc/19/97/84/730199784.db2.gz RHAGZQDNKIEDFM-LSDHHAIUSA-N 2 0 343.493 -0.045 20 0 EBADRP O=C(NC[C@@H]1CCC[N@@H+]1CCN1CCNC1=O)[C@H]1C[NH+]2CCC1CC2 ZINC001027886270 730245766 /nfs/dbraw/zinc/24/57/66/730245766.db2.gz QPJMOPKMGVCMLQ-HOTGVXAUSA-N 2 0 349.479 -0.066 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001028547148 730312333 /nfs/dbraw/zinc/31/23/33/730312333.db2.gz MMZQTPPSVSRGPT-ZFWWWQNUSA-N 2 0 348.451 -0.615 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCN2CCNC2=O)C1 ZINC001028636207 730327660 /nfs/dbraw/zinc/32/76/60/730327660.db2.gz MCVZECCDBGTMJX-CABCVRRESA-N 2 0 337.468 -0.066 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NCC2C[NH+](CCn3cncn3)C2)n1 ZINC001031679602 730750314 /nfs/dbraw/zinc/75/03/14/730750314.db2.gz ZERRBCRPAJISIP-UHFFFAOYSA-N 2 0 346.439 -0.602 20 0 EBADRP Cn1cc(CC[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)cn1 ZINC001031688353 730750714 /nfs/dbraw/zinc/75/07/14/730750714.db2.gz DGPRQQWMDCLWGC-SJORKVTESA-N 2 0 347.463 -0.126 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@H](O)CN2CCCC2=O)C1 ZINC001032824617 730939122 /nfs/dbraw/zinc/93/91/22/730939122.db2.gz DAAJLHXKKDDHHI-KKUMJFAQSA-N 2 0 338.452 -0.746 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001033091931 730969586 /nfs/dbraw/zinc/96/95/86/730969586.db2.gz OCZOUYJDLANTRV-RBSFLKMASA-N 2 0 337.468 -0.116 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2C[C@H](O)Cn2cccn2)CC1 ZINC001038672287 731362996 /nfs/dbraw/zinc/36/29/96/731362996.db2.gz VGZZHMMTYWWFMQ-HOTGVXAUSA-N 2 0 335.452 -0.224 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@](O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001040099130 731597303 /nfs/dbraw/zinc/59/73/03/731597303.db2.gz HAZNIASTOHTSHN-KRWDZBQOSA-N 2 0 342.484 -0.252 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001040357329 731711168 /nfs/dbraw/zinc/71/11/68/731711168.db2.gz PUCWBFDSMIHVPR-QGZVFWFLSA-N 2 0 338.452 -0.887 20 0 EBADRP CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001040358262 731711624 /nfs/dbraw/zinc/71/16/24/731711624.db2.gz DYHWFKJVNCHNFN-BBRMVZONSA-N 2 0 328.457 -0.642 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001040449981 731738478 /nfs/dbraw/zinc/73/84/78/731738478.db2.gz NKFPJNOTQCBBJV-PBHICJAKSA-N 2 0 340.468 -0.641 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001040495566 731759053 /nfs/dbraw/zinc/75/90/53/731759053.db2.gz OEKCAMWWUMEJCX-RHSMWYFYSA-N 2 0 338.452 -0.744 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001061426455 738537146 /nfs/dbraw/zinc/53/71/46/738537146.db2.gz PMHFCCDZCPCSPA-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001061426542 738537540 /nfs/dbraw/zinc/53/75/40/738537540.db2.gz PXOOLZXGAXZYNF-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001040901450 731911059 /nfs/dbraw/zinc/91/10/59/731911059.db2.gz JTEXNAUPTPMDHK-WMLDXEAASA-N 2 0 340.468 -0.498 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@](O)(CNC(=O)CC[N@H+](C)CC)C1)[NH+](C)C ZINC001040902025 731911566 /nfs/dbraw/zinc/91/15/66/731911566.db2.gz OPQOETOFYVGCOH-YOEHRIQHSA-N 2 0 342.484 -0.252 20 0 EBADRP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001041489347 732139814 /nfs/dbraw/zinc/13/98/14/732139814.db2.gz UEFACJAJTPERAC-HILOLKJVSA-N 2 0 335.448 -0.234 20 0 EBADRP C[NH+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001042097298 732306365 /nfs/dbraw/zinc/30/63/65/732306365.db2.gz GMVNAOWWLHJPSG-UONOGXRCSA-N 2 0 338.452 -0.888 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CCC[NH+]3C)C2)CC[N@@H+]1C ZINC001042103737 732314290 /nfs/dbraw/zinc/31/42/90/732314290.db2.gz HQALTKSLDPECMW-MGPQQGTHSA-N 2 0 338.452 -0.890 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001042104940 732317097 /nfs/dbraw/zinc/31/70/97/732317097.db2.gz UWMCYOKTCCSBLE-UONOGXRCSA-N 2 0 338.452 -0.746 20 0 EBADRP C[N@H+](CC(=O)N1CC(O)(CNC(=O)CCc2ncc[nH]2)C1)C1CCC1 ZINC001042830372 732613296 /nfs/dbraw/zinc/61/32/96/732613296.db2.gz TVAJVEWKKDAJBS-UHFFFAOYSA-N 2 0 349.435 -0.484 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001061594974 738634576 /nfs/dbraw/zinc/63/45/76/738634576.db2.gz ALKCKABVDNEGGV-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001061595764 738635388 /nfs/dbraw/zinc/63/53/88/738635388.db2.gz OGYREWMDNQCBKG-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)CCCn3ccnc3)C2)C1 ZINC001043117903 732766820 /nfs/dbraw/zinc/76/68/20/732766820.db2.gz BCTWKGHWIBDAML-AWEZNQCLSA-N 2 0 349.435 -0.696 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)CCCn3ccnc3)C2)C1 ZINC001043117904 732766887 /nfs/dbraw/zinc/76/68/87/732766887.db2.gz BCTWKGHWIBDAML-CQSZACIVSA-N 2 0 349.435 -0.696 20 0 EBADRP C[N@H+](CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1)C1CCC1 ZINC001043119345 732769078 /nfs/dbraw/zinc/76/90/78/732769078.db2.gz ZCIGIMUHUDOLML-ZDUSSCGKSA-N 2 0 338.452 -0.888 20 0 EBADRP C[N@H+](CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1)C1CCC1 ZINC001043119343 732769460 /nfs/dbraw/zinc/76/94/60/732769460.db2.gz ZCIGIMUHUDOLML-CYBMUJFWSA-N 2 0 338.452 -0.888 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001043128432 732777097 /nfs/dbraw/zinc/77/70/97/732777097.db2.gz WAOGYLFWJDWOGK-ZIAGYGMSSA-N 2 0 338.452 -0.888 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001043432825 732937666 /nfs/dbraw/zinc/93/76/66/732937666.db2.gz MGOOLPWBIIPMDJ-UHFFFAOYSA-N 2 0 326.441 -0.888 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1)C1CC1 ZINC001043464270 732956050 /nfs/dbraw/zinc/95/60/50/732956050.db2.gz WEJXKHSUKKBRBX-KGLIPLIRSA-N 2 0 338.452 -0.890 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001043463733 732956198 /nfs/dbraw/zinc/95/61/98/732956198.db2.gz QDFPYACONFIWSS-HNNXBMFYSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001043465587 732956598 /nfs/dbraw/zinc/95/65/98/732956598.db2.gz VRTKWFCNNSGFDM-HNNXBMFYSA-N 2 0 340.468 -0.642 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001043476284 732964642 /nfs/dbraw/zinc/96/46/42/732964642.db2.gz GYQQCCQMTMOBSZ-HNNXBMFYSA-N 2 0 342.484 -0.396 20 0 EBADRP C[N@H+](CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[NH+](C)C2)C1)C1CCC1 ZINC001043529915 732993692 /nfs/dbraw/zinc/99/36/92/732993692.db2.gz BWNFYFIJPNCLMR-CYBMUJFWSA-N 2 0 338.452 -0.888 20 0 EBADRP CC[C@H](C(=O)N1CC(O)(CNC(=O)C(C)(C)[N@H+](C)CC)C1)[NH+](C)C ZINC001043613665 733024227 /nfs/dbraw/zinc/02/42/27/733024227.db2.gz UUQZIOPDPQZBSN-CYBMUJFWSA-N 2 0 342.484 -0.254 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001043677031 733054957 /nfs/dbraw/zinc/05/49/57/733054957.db2.gz DOQAQAHUXFYZGW-CQSZACIVSA-N 2 0 342.484 -0.252 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001044010679 733243937 /nfs/dbraw/zinc/24/39/37/733243937.db2.gz AMIWOYVTVIMTPC-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001044023716 733250897 /nfs/dbraw/zinc/25/08/97/733250897.db2.gz RSJMVSSAPSKAMV-UHFFFAOYSA-N 2 0 338.452 -0.887 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001044291046 733361044 /nfs/dbraw/zinc/36/10/44/733361044.db2.gz LUOYAGPOWIYSKK-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001044298866 733365567 /nfs/dbraw/zinc/36/55/67/733365567.db2.gz QJLSVDINPIDNAQ-HNNXBMFYSA-N 2 0 340.468 -0.642 20 0 EBADRP C[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044857055 733526176 /nfs/dbraw/zinc/52/61/76/733526176.db2.gz DVHUTHZVNLFNKS-STQMWFEESA-N 2 0 336.440 -0.327 20 0 EBADRP CC[C@@H](C(=O)NC[C@H]1COCCN1C(=O)CC[NH+](C)C)[NH+](C)C ZINC001061726991 738726707 /nfs/dbraw/zinc/72/67/07/738726707.db2.gz VOUMSNIAVAWDTJ-KBPBESRZSA-N 2 0 328.457 -0.378 20 0 EBADRP CNC(=O)[C@H](C)[NH+]1CCC(C)(NC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001045397798 733686766 /nfs/dbraw/zinc/68/67/66/733686766.db2.gz ORCORZJMDACWEU-STQMWFEESA-N 2 0 326.441 -0.578 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045417607 733691308 /nfs/dbraw/zinc/69/13/08/733691308.db2.gz JXKLFYLONSSJPX-KGLIPLIRSA-N 2 0 340.468 -0.785 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC3(CO2)CC[NH+](CC(N)=O)CC3)C1 ZINC001045684951 733753948 /nfs/dbraw/zinc/75/39/48/733753948.db2.gz CJUXKRCRCCIASU-UONOGXRCSA-N 2 0 338.452 -0.589 20 0 EBADRP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001045717119 733759326 /nfs/dbraw/zinc/75/93/26/733759326.db2.gz UYCWQNKHRGMAMH-UHFFFAOYSA-N 2 0 340.468 -0.496 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046028099 733814034 /nfs/dbraw/zinc/81/40/34/733814034.db2.gz XZESAQOSQVLWID-DLBZAZTESA-N 2 0 336.480 -0.461 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N2CCN([C@H]3CC[NH+](CCO)C3)CC2)C1 ZINC001046064420 733841580 /nfs/dbraw/zinc/84/15/80/733841580.db2.gz NEQSLELPPFIYJR-INIZCTEOSA-N 2 0 338.496 -0.071 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001046536361 733958512 /nfs/dbraw/zinc/95/85/12/733958512.db2.gz URURENAMAICJQQ-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046664929 733992933 /nfs/dbraw/zinc/99/29/33/733992933.db2.gz LIFBRULAJJLJEE-ZIAGYGMSSA-N 2 0 338.452 -0.746 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001046677879 734000141 /nfs/dbraw/zinc/00/01/41/734000141.db2.gz ZHKSDXBHWQQIDV-ZIAGYGMSSA-N 2 0 338.452 -0.888 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1 ZINC001046690748 734005930 /nfs/dbraw/zinc/00/59/30/734005930.db2.gz DJJIXLQHJOUSBX-UONOGXRCSA-N 2 0 340.468 -0.785 20 0 EBADRP C[C@]1(C[NH2+][C@H]2CCC(=O)NC2=O)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001046900063 734056094 /nfs/dbraw/zinc/05/60/94/734056094.db2.gz KRUWVVSYQVNWGZ-SUMWQHHRSA-N 2 0 348.447 -0.284 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CC(N)=O)C3)cn1 ZINC001047157382 734102754 /nfs/dbraw/zinc/10/27/54/734102754.db2.gz CTMGZDHKXNNHJM-CFVMTHIKSA-N 2 0 348.451 -0.487 20 0 EBADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001047379639 734164714 /nfs/dbraw/zinc/16/47/14/734164714.db2.gz IUHLVWQKFATQES-IKGGRYGDSA-N 2 0 347.463 -0.272 20 0 EBADRP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001047424501 734188386 /nfs/dbraw/zinc/18/83/86/734188386.db2.gz NCJUCDWPJFZPGZ-GJZGRUSLSA-N 2 0 325.453 -0.252 20 0 EBADRP CC[C@@H](C(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C)[NH+](C)C ZINC001061859347 738789682 /nfs/dbraw/zinc/78/96/82/738789682.db2.gz JXQDMBREGSJTIK-KGLIPLIRSA-N 2 0 328.457 -0.378 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001061860620 738790054 /nfs/dbraw/zinc/79/00/54/738790054.db2.gz YVEWROIKRPMHHF-UONOGXRCSA-N 2 0 326.441 -0.624 20 0 EBADRP C[C@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001047453417 734203405 /nfs/dbraw/zinc/20/34/05/734203405.db2.gz XIMHRVBGFIGDMM-RCBQFDQVSA-N 2 0 345.403 -0.235 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001061862398 738791492 /nfs/dbraw/zinc/79/14/92/738791492.db2.gz SRCSMPQJDMBIGW-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001047463724 734207914 /nfs/dbraw/zinc/20/79/14/734207914.db2.gz PCWOGKUOEGZMKL-XJADACSNSA-N 2 0 335.448 -0.237 20 0 EBADRP CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001047472921 734211599 /nfs/dbraw/zinc/21/15/99/734211599.db2.gz MZOCRMLESMWIHS-HRCADAONSA-N 2 0 325.453 -0.253 20 0 EBADRP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001047513755 734234068 /nfs/dbraw/zinc/23/40/68/734234068.db2.gz NITQEIQUVBKHGR-BPUTZDHNSA-N 2 0 325.453 -0.132 20 0 EBADRP CN(C(=O)C[NH+]1CCCC1)[C@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@@H]1O ZINC001047627916 734289738 /nfs/dbraw/zinc/28/97/38/734289738.db2.gz ZRSXVEUWRBHKKU-HOTGVXAUSA-N 2 0 348.447 -0.515 20 0 EBADRP C[C@H]([NH2+]Cc1nnnn1C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001048036667 734336813 /nfs/dbraw/zinc/33/68/13/734336813.db2.gz GGURYDXUMBLQCE-STQMWFEESA-N 2 0 333.440 -0.368 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001048558310 734443976 /nfs/dbraw/zinc/44/39/76/734443976.db2.gz PRWQREVEVCDXKQ-KKUMJFAQSA-N 2 0 340.468 -0.548 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001048723294 734483348 /nfs/dbraw/zinc/48/33/48/734483348.db2.gz AQBROSIDAHPWRR-CRWXNKLISA-N 2 0 334.420 -0.724 20 0 EBADRP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818736 734522469 /nfs/dbraw/zinc/52/24/69/734522469.db2.gz LRUYMJUYEDXNIP-JONQDZQNSA-N 2 0 334.464 -0.003 20 0 EBADRP CN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)C[C@H]3C2)C1=O ZINC001048823450 734525312 /nfs/dbraw/zinc/52/53/12/734525312.db2.gz DISPBLAHFAOIEO-YVSFHVDLSA-N 2 0 346.475 -0.051 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1)C1CC1 ZINC001048863795 734543535 /nfs/dbraw/zinc/54/35/35/734543535.db2.gz LIOOUWHXPWONFS-FQLMCAECSA-N 2 0 348.447 -0.478 20 0 EBADRP CC[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[NH+](CC)CC)C1)[NH+](C)C ZINC001048877483 734552799 /nfs/dbraw/zinc/55/27/99/734552799.db2.gz VUOLVNUSPDLGCP-ILXRZTDVSA-N 2 0 342.484 -0.302 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)C[C@@H]1O ZINC001048976696 734594028 /nfs/dbraw/zinc/59/40/28/734594028.db2.gz DUZYNJQXBJRWKX-ILXRZTDVSA-N 2 0 340.468 -0.692 20 0 EBADRP CC(C)[NH+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001048977520 734595026 /nfs/dbraw/zinc/59/50/26/734595026.db2.gz XNQGJDAPKBROOZ-GJZGRUSLSA-N 2 0 342.484 -0.303 20 0 EBADRP C[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CCN4CCNC4=O)C[C@@H]3C2)CC1 ZINC001049024900 734618903 /nfs/dbraw/zinc/61/89/03/734618903.db2.gz ICLMFJSUYJNIAM-IYBDPMFKSA-N 2 0 349.479 -0.256 20 0 EBADRP CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1O)[NH+](C)C ZINC001049027271 734619452 /nfs/dbraw/zinc/61/94/52/734619452.db2.gz IQISMRYPEAOIHO-ILXRZTDVSA-N 2 0 342.484 -0.303 20 0 EBADRP CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O)[NH+](C)C ZINC001049119812 734653126 /nfs/dbraw/zinc/65/31/26/734653126.db2.gz YQJNGKAHNPJWGF-IHRRRGAJSA-N 2 0 328.457 -0.692 20 0 EBADRP CCC[N@H+](C)CCC(=O)N(C)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001049149214 734662943 /nfs/dbraw/zinc/66/29/43/734662943.db2.gz BVYSMXPEPLDRBC-GJZGRUSLSA-N 2 0 342.484 -0.300 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCC4)C[C@@H]3C2)C1 ZINC001049170811 734674430 /nfs/dbraw/zinc/67/44/30/734674430.db2.gz FRURTSOVWCEZHS-HRCADAONSA-N 2 0 334.464 -0.049 20 0 EBADRP CN1CCC[C@@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@H]3C2)C1=O ZINC001049212235 734686879 /nfs/dbraw/zinc/68/68/79/734686879.db2.gz AFIFRFMAUVHEHV-LVQVYYBASA-N 2 0 334.464 -0.051 20 0 EBADRP C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001049215676 734687672 /nfs/dbraw/zinc/68/76/72/734687672.db2.gz IPEAXKIFIHDYKF-FPCVCCKLSA-N 2 0 325.453 -0.274 20 0 EBADRP CN(C(=O)CC[NH+](C)C)[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1O ZINC001049428731 734727659 /nfs/dbraw/zinc/72/76/59/734727659.db2.gz MWXNDOJHKRFOBL-GJZGRUSLSA-N 2 0 340.468 -0.690 20 0 EBADRP CN(C(=O)CC[NH+](C)C)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC001049436050 734729874 /nfs/dbraw/zinc/72/98/74/734729874.db2.gz YUJFTAMJMBJCIJ-KBPBESRZSA-N 2 0 338.452 -0.936 20 0 EBADRP CN(C(=O)CC[NH+](C)C)[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001049435918 734730007 /nfs/dbraw/zinc/73/00/07/734730007.db2.gz WRCBWNTZQVXDDJ-KBPBESRZSA-N 2 0 328.457 -0.690 20 0 EBADRP COc1cncc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CCO2)n1 ZINC001051493622 735197275 /nfs/dbraw/zinc/19/72/75/735197275.db2.gz OMLQQDNDWLBFLS-GJZGRUSLSA-N 2 0 349.435 -0.104 20 0 EBADRP CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001051494422 735197804 /nfs/dbraw/zinc/19/78/04/735197804.db2.gz VCSNKFOPXPXJRA-LSDHHAIUSA-N 2 0 336.440 -0.291 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)CC2)cn1 ZINC001052784501 735690469 /nfs/dbraw/zinc/69/04/69/735690469.db2.gz SEWYXMHKVXIPJM-AWEZNQCLSA-N 2 0 336.440 -0.486 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001052936972 735725210 /nfs/dbraw/zinc/72/52/10/735725210.db2.gz GTKUXSFLRZIMJE-KGLIPLIRSA-N 2 0 336.436 -0.142 20 0 EBADRP COCC(=O)NCC[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001055495145 736357087 /nfs/dbraw/zinc/35/70/87/736357087.db2.gz JAGWDSILVUXDFG-INIZCTEOSA-N 2 0 342.484 -0.084 20 0 EBADRP CC[NH+](CC)CC(=O)NC1CC[NH+](CCNC(=O)COC)CC1 ZINC001055495122 736357397 /nfs/dbraw/zinc/35/73/97/736357397.db2.gz IJNWJFPPDHKKFM-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP COCC(=O)NCC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001055497153 736358858 /nfs/dbraw/zinc/35/88/58/736358858.db2.gz UYAXRRNEZAPPPW-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP CO[C@H](C)C(=O)NCC[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001055532800 736371892 /nfs/dbraw/zinc/37/18/92/736371892.db2.gz LZZBGMYDCQBKOC-CYBMUJFWSA-N 2 0 328.457 -0.330 20 0 EBADRP CC(C)C(=O)NC1CC[NH+](CCNC(=O)COCC[NH+](C)C)CC1 ZINC001055602452 736401986 /nfs/dbraw/zinc/40/19/86/736401986.db2.gz ZHPNPYVGXVWCRJ-UHFFFAOYSA-N 2 0 342.484 -0.083 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)CC(C)(C)O)CC1 ZINC001055633177 736417632 /nfs/dbraw/zinc/41/76/32/736417632.db2.gz DRGGTXGKIFQFGB-UHFFFAOYSA-N 2 0 342.484 -0.204 20 0 EBADRP COCC(=O)NC1CC[NH+](CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001055644763 736419385 /nfs/dbraw/zinc/41/93/85/736419385.db2.gz CZPYFPQSBXSZCF-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001056103379 736642301 /nfs/dbraw/zinc/64/23/01/736642301.db2.gz CFWKOMHWHWYUNI-RHSMWYFYSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001057212368 737084240 /nfs/dbraw/zinc/08/42/40/737084240.db2.gz MURQFZVJYGELGT-LSDHHAIUSA-N 2 0 340.468 -0.642 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1CCC[NH+]1C ZINC001057212363 737084466 /nfs/dbraw/zinc/08/44/66/737084466.db2.gz MRQFXBXSPKDKCB-OAHLLOKOSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001057212890 737085836 /nfs/dbraw/zinc/08/58/36/737085836.db2.gz YOXGFYFNSUJEDG-GJZGRUSLSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001057212735 737086316 /nfs/dbraw/zinc/08/63/16/737086316.db2.gz UTARZWFKGUOZEL-CQSZACIVSA-N 2 0 328.457 -0.641 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057641929 737382721 /nfs/dbraw/zinc/38/27/21/737382721.db2.gz DMRTYTRZADSMMH-LSDHHAIUSA-N 2 0 340.468 -0.783 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057642961 737384696 /nfs/dbraw/zinc/38/46/96/737384696.db2.gz ZUVWVJXFRLOOFH-HNNXBMFYSA-N 2 0 340.468 -0.496 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC001057864051 737485009 /nfs/dbraw/zinc/48/50/09/737485009.db2.gz AHVFAVJIRHFYKV-LSDHHAIUSA-N 2 0 342.484 -0.539 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)C1([NH+](C)C)CCC1 ZINC001057875451 737494539 /nfs/dbraw/zinc/49/45/39/737494539.db2.gz WDOIVNRBQIROOL-UHFFFAOYSA-N 2 0 342.484 -0.252 20 0 EBADRP C[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001057876964 737496705 /nfs/dbraw/zinc/49/67/05/737496705.db2.gz WAILISAQBVHDFD-HNNXBMFYSA-N 2 0 328.457 -0.785 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001057877158 737497406 /nfs/dbraw/zinc/49/74/06/737497406.db2.gz ZUHKMYCYYGUVHL-INIZCTEOSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[C@@H](C(=O)NCCN(CCO)C(=O)C12CC[NH+](CC1)C2)[NH+](C)C ZINC001058162047 737685481 /nfs/dbraw/zinc/68/54/81/737685481.db2.gz IWWBIHDNFDNYTP-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@@H](C(=O)N(CCO)CCNC(=O)CC[N@H+](C)CC)[NH+](C)C ZINC001058168612 737689926 /nfs/dbraw/zinc/68/99/26/737689926.db2.gz MKSWXZITOAYMAV-AWEZNQCLSA-N 2 0 330.473 -0.395 20 0 EBADRP CC[C@@H](C(=O)N(CCO)CCNC(=O)C[N@H+](C)C(C)C)[NH+](C)C ZINC001058169742 737691526 /nfs/dbraw/zinc/69/15/26/737691526.db2.gz IOPNAYKCJKLVFD-AWEZNQCLSA-N 2 0 330.473 -0.396 20 0 EBADRP C[NH+](C)CCCCC(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1 ZINC001058237039 737727118 /nfs/dbraw/zinc/72/71/18/737727118.db2.gz PLCUPNFLBRSGHN-UHFFFAOYSA-N 2 0 342.484 -0.249 20 0 EBADRP CCC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001058252571 737735043 /nfs/dbraw/zinc/73/50/43/737735043.db2.gz OQRNBOONYNDURR-UHFFFAOYSA-N 2 0 330.473 -0.393 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001058255068 737736665 /nfs/dbraw/zinc/73/66/65/737736665.db2.gz AYAHWAGHJGMTGO-INIZCTEOSA-N 2 0 342.484 -0.395 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC001058255558 737737909 /nfs/dbraw/zinc/73/79/09/737737909.db2.gz UVYUXJYPCNTTJG-CABCVRRESA-N 2 0 342.484 -0.537 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1 ZINC001058255526 737738193 /nfs/dbraw/zinc/73/81/93/737738193.db2.gz SSDFBVBQPGEXCO-UHFFFAOYSA-N 2 0 328.457 -0.639 20 0 EBADRP C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001058607649 737920100 /nfs/dbraw/zinc/92/01/00/737920100.db2.gz JJMXPNZIWOGICM-MRXNPFEDSA-N 2 0 342.484 -0.395 20 0 EBADRP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001058709297 737960537 /nfs/dbraw/zinc/96/05/37/737960537.db2.gz POULLUNDZWNASG-CQSZACIVSA-N 2 0 328.457 -0.641 20 0 EBADRP C[C@H](Cc1c[nH]cn1)C(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058710572 737960868 /nfs/dbraw/zinc/96/08/68/737960868.db2.gz GPSYZROXLWMHEW-CYBMUJFWSA-N 2 0 339.440 -0.523 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058712573 737963272 /nfs/dbraw/zinc/96/32/72/737963272.db2.gz YOOJSDLDLDYUJV-AWEZNQCLSA-N 2 0 348.463 -0.445 20 0 EBADRP CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001058816192 738003984 /nfs/dbraw/zinc/00/39/84/738003984.db2.gz MKVRZTPBZIJDSK-HNNXBMFYSA-N 2 0 342.484 -0.393 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001058844138 738023788 /nfs/dbraw/zinc/02/37/88/738023788.db2.gz UQGDECWODRTEMC-CABCVRRESA-N 2 0 340.468 -0.498 20 0 EBADRP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001058845285 738025273 /nfs/dbraw/zinc/02/52/73/738025273.db2.gz KMMWUYVMKULAHS-OAHLLOKOSA-N 2 0 342.484 -0.393 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)C[NH+]1CCC[C@@H]1C ZINC001058845868 738026938 /nfs/dbraw/zinc/02/69/38/738026938.db2.gz YIGFPHBLTMKKER-HNNXBMFYSA-N 2 0 342.484 -0.252 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1 ZINC001058848550 738030959 /nfs/dbraw/zinc/03/09/59/738030959.db2.gz HAKAWOSXVSRMSE-CABCVRRESA-N 2 0 340.468 -0.783 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1 ZINC001058848551 738031045 /nfs/dbraw/zinc/03/10/45/738031045.db2.gz HAKAWOSXVSRMSE-GJZGRUSLSA-N 2 0 340.468 -0.783 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001064978317 739456802 /nfs/dbraw/zinc/45/68/02/739456802.db2.gz QNIWATMBZAXFID-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNC(=O)C[NH+]3CCCC3)C2)C1 ZINC001065170041 739574970 /nfs/dbraw/zinc/57/49/70/739574970.db2.gz UVONBMZSICJNDO-CABCVRRESA-N 2 0 338.452 -0.623 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCO1 ZINC001065370576 739679046 /nfs/dbraw/zinc/67/90/46/739679046.db2.gz SSKVWCQDSQRQBL-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1)[NH+](C)C ZINC001065572751 739769030 /nfs/dbraw/zinc/76/90/30/739769030.db2.gz WQNPQYCGTHPXRV-ZBFHGGJFSA-N 2 0 342.484 -0.132 20 0 EBADRP C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001065574230 739770725 /nfs/dbraw/zinc/77/07/25/739770725.db2.gz DDQITPQXFITLJZ-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001065576270 739772680 /nfs/dbraw/zinc/77/26/80/739772680.db2.gz OHLHIIRWTSCKPH-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001065576334 739772698 /nfs/dbraw/zinc/77/26/98/739772698.db2.gz PERGGCZDMFEROD-ZIAGYGMSSA-N 2 0 326.441 -0.767 20 0 EBADRP C[NH+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)CO2 ZINC001068764501 740440192 /nfs/dbraw/zinc/44/01/92/740440192.db2.gz RQPDJRDTVXBEIC-UONOGXRCSA-N 2 0 338.452 -0.482 20 0 EBADRP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](n2ccnn2)C1 ZINC001069983716 740646098 /nfs/dbraw/zinc/64/60/98/740646098.db2.gz IYRFMUOEHSSUBO-WCCAFZKYSA-N 2 0 346.435 -0.497 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070191653 740741329 /nfs/dbraw/zinc/74/13/29/740741329.db2.gz LFJDCNGKCQADMH-KFWWJZLASA-N 2 0 336.440 -0.515 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070212935 740750964 /nfs/dbraw/zinc/75/09/64/740750964.db2.gz YVNFGRFNQLXRDW-ZNMIVQPWSA-N 2 0 336.440 -0.514 20 0 EBADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070242735 740765888 /nfs/dbraw/zinc/76/58/88/740765888.db2.gz PAFNKUIEBNZMDK-OWCLPIDISA-N 2 0 348.451 -0.514 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2[NH2+]CCO)c1 ZINC001070506061 740851880 /nfs/dbraw/zinc/85/18/80/740851880.db2.gz WLMYGDVPUQNBJR-NUEKZKHPSA-N 2 0 335.452 -0.219 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCO)C2)C1 ZINC001070534568 740857570 /nfs/dbraw/zinc/85/75/70/740857570.db2.gz ASDFPXLTWAVXQB-OFQRWUPVSA-N 2 0 335.452 -0.362 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001070557067 740862339 /nfs/dbraw/zinc/86/23/39/740862339.db2.gz YENPHSLFYCNSJA-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP Cn1cncc1[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CCO ZINC001070655368 740911224 /nfs/dbraw/zinc/91/12/24/740911224.db2.gz IUOBPSKNLUEFMU-ZIAGYGMSSA-N 2 0 335.452 -0.219 20 0 EBADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cncn1C ZINC001070711211 740924460 /nfs/dbraw/zinc/92/44/60/740924460.db2.gz ZXUWVNHRWMRYRT-RRFJBIMHSA-N 2 0 347.463 -0.219 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001072135673 741316361 /nfs/dbraw/zinc/31/63/61/741316361.db2.gz LUECGZQUUPAXNK-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](NC(=O)COCC[NH+](C)C)[C@@H](C)C1 ZINC001072286550 741359946 /nfs/dbraw/zinc/35/99/46/741359946.db2.gz LQNHZZOCNVSSIX-GJZGRUSLSA-N 2 0 342.484 -0.132 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001072431841 741397294 /nfs/dbraw/zinc/39/72/94/741397294.db2.gz BDQFZQPYMGHYCT-HUUCEWRRSA-N 2 0 342.484 -0.131 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CC2(C1)CC[N@@H+]([C@H]1CCNC1=O)C2 ZINC001072743591 741470201 /nfs/dbraw/zinc/47/02/01/741470201.db2.gz VAQAEDXSEZMBFR-GJZGRUSLSA-N 2 0 332.448 -0.249 20 0 EBADRP C[C@H](O)C[N@@H+]1CCC2(CN(C(=O)c3cnn(CC[NH+](C)C)c3)C2)C1 ZINC001073050022 741549074 /nfs/dbraw/zinc/54/90/74/741549074.db2.gz GJIDNEYQCDTAHT-AWEZNQCLSA-N 2 0 335.452 -0.027 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001073433882 741613305 /nfs/dbraw/zinc/61/33/05/741613305.db2.gz RZUZZDJSSVLZLG-HNNXBMFYSA-N 2 0 325.453 -0.129 20 0 EBADRP O=C(NC[C@@H]1C[N@H+](CCCO)CCCO1)[C@@H]1C[NH+]2CCC1CC2 ZINC001073605667 741682882 /nfs/dbraw/zinc/68/28/82/741682882.db2.gz QIQVNGUOURQKQA-HZPDHXFCSA-N 2 0 325.453 -0.082 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](CCn3cncn3)CCCO2)C1 ZINC001073891935 741777022 /nfs/dbraw/zinc/77/70/22/741777022.db2.gz VRZHBBMZJKQLPG-LSDHHAIUSA-N 2 0 336.440 -0.563 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC(O)(CNC(=O)CC[NH+](C)C)CC1 ZINC001074618158 742027362 /nfs/dbraw/zinc/02/73/62/742027362.db2.gz ZLKRMILZYBJKJC-UHFFFAOYSA-N 2 0 342.484 -0.252 20 0 EBADRP C[C@H]1[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001074811732 742111608 /nfs/dbraw/zinc/11/16/08/742111608.db2.gz CVMOZASCVHYPBJ-FQUUOJAGSA-N 2 0 336.436 -0.145 20 0 EBADRP C[C@H]1[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001074852998 742121709 /nfs/dbraw/zinc/12/17/09/742121709.db2.gz JSTPAZWADBHJSS-UBHSHLNASA-N 2 0 336.436 -0.288 20 0 EBADRP C[C@H]1[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001075044398 742166754 /nfs/dbraw/zinc/16/67/54/742166754.db2.gz BIXRCMXMMZLGAZ-AVGNSLFASA-N 2 0 334.420 -0.534 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001076242333 742418423 /nfs/dbraw/zinc/41/84/23/742418423.db2.gz ANEJHVRHFKUFTI-HRCADAONSA-N 2 0 349.479 -0.114 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21)[NH+](C)C ZINC001076254545 742422154 /nfs/dbraw/zinc/42/21/54/742422154.db2.gz JIOGYPCXWJJPPQ-SOUVJXGZSA-N 2 0 337.468 -0.116 20 0 EBADRP O=C(N1CC[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001076467315 742477457 /nfs/dbraw/zinc/47/74/57/742477457.db2.gz IVEJZKFYDQRXLL-MELADBBJSA-N 2 0 346.431 -0.580 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001076568073 742498337 /nfs/dbraw/zinc/49/83/37/742498337.db2.gz SNNJRYLOWIBWBY-SOUVJXGZSA-N 2 0 335.452 -0.504 20 0 EBADRP C[C@@H](CCNC(=O)[C@@H](C)C[NH+]1CCOCC1)NC(=O)CC[NH+](C)C ZINC001076601495 742509042 /nfs/dbraw/zinc/50/90/42/742509042.db2.gz STHBGRZJDYDXOF-GJZGRUSLSA-N 2 0 342.484 -0.083 20 0 EBADRP Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001077002832 742690158 /nfs/dbraw/zinc/69/01/58/742690158.db2.gz ITJVOTVCWGZFRK-GVDBMIGSSA-N 2 0 347.463 -0.534 20 0 EBADRP C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)CCC[NH+](C)C ZINC001077495379 743019390 /nfs/dbraw/zinc/01/93/90/743019390.db2.gz CPYIAKQCOSDVGB-AWEZNQCLSA-N 2 0 330.473 -0.083 20 0 EBADRP C[C@@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)NC(=O)COCC[NH+](C)C ZINC001077497452 743022814 /nfs/dbraw/zinc/02/28/14/743022814.db2.gz UMRJUWNJXRKRBE-GJZGRUSLSA-N 2 0 342.484 -0.083 20 0 EBADRP O=C(N1CCCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001078499456 743680851 /nfs/dbraw/zinc/68/08/51/743680851.db2.gz YZWUMMJXLGHZJZ-UONOGXRCSA-N 2 0 336.436 -0.822 20 0 EBADRP C[N@H+](CCN1C(=O)CCC1=O)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000980390788 805878419 /nfs/dbraw/zinc/87/84/19/805878419.db2.gz KHZQJWVLIFSXRD-UONOGXRCSA-N 2 0 336.436 -0.380 20 0 EBADRP C[C@H]1C[C@H](C[NH2+]Cc2nnnn2C)CN1C(=O)C1CC[NH+](C)CC1 ZINC000980693644 805991103 /nfs/dbraw/zinc/99/11/03/805991103.db2.gz VHOZEYZGPQBSOK-QWHCGFSZSA-N 2 0 335.456 -0.122 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC2(C1)CCC[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC000982152711 806411179 /nfs/dbraw/zinc/41/11/79/806411179.db2.gz XKUNCJWZMIRISW-AWEZNQCLSA-N 2 0 348.447 -0.188 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CCC[NH+](CCN2CCNC2=O)C3)C1 ZINC000982150674 806411737 /nfs/dbraw/zinc/41/17/37/806411737.db2.gz PQTMSRKUIAJCJO-OAHLLOKOSA-N 2 0 349.479 -0.112 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000976872386 803926574 /nfs/dbraw/zinc/92/65/74/803926574.db2.gz YVGIERONHICYCH-LJIGWXMPSA-N 2 0 346.475 -0.003 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC(=O)N3CCC3)C[C@H]21 ZINC000978355890 804805388 /nfs/dbraw/zinc/80/53/88/804805388.db2.gz FGDWZRAYGQZRCE-LVQVYYBASA-N 2 0 334.464 -0.003 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)CC1 ZINC000978681402 804922607 /nfs/dbraw/zinc/92/26/07/804922607.db2.gz TZOXIWMSDJCSKB-JONQDZQNSA-N 2 0 334.464 -0.099 20 0 EBADRP O=C(N[C@@H]1C[C@@H](C[NH2+][C@@H]2CCNC2=O)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000984357925 807266606 /nfs/dbraw/zinc/26/66/06/807266606.db2.gz OHRGXDNCJKSFJA-IVZCFAJBSA-N 2 0 348.447 -0.778 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC000984802493 807390879 /nfs/dbraw/zinc/39/08/79/807390879.db2.gz BEPJHYXMURASIV-XDQVBPFNSA-N 2 0 336.436 -0.382 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC000984805497 807391652 /nfs/dbraw/zinc/39/16/52/807391652.db2.gz SXZVIYNUUKBXKD-AAVRWANBSA-N 2 0 336.436 -0.240 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000984810148 807392057 /nfs/dbraw/zinc/39/20/57/807392057.db2.gz UHSCTYZYQSUJKA-CYDGBPFRSA-N 2 0 336.440 -0.710 20 0 EBADRP C[N@H+](C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1)[C@H]1CCC(=O)NC1=O ZINC000985788958 807583285 /nfs/dbraw/zinc/58/32/85/807583285.db2.gz ALMXKUNOPVLSOB-JSGCOSHPSA-N 2 0 336.436 -0.334 20 0 EBADRP C[N@H+](CCN1CCNC1=O)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000985793142 807584147 /nfs/dbraw/zinc/58/41/47/807584147.db2.gz UTMGMKZAOHYBJX-AWEZNQCLSA-N 2 0 337.468 -0.114 20 0 EBADRP C[C@@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)CN1C(=O)C[NH+]1CCCC1 ZINC000989795946 808596306 /nfs/dbraw/zinc/59/63/06/808596306.db2.gz DZMNXSZYKBGJII-CHWSQXEVSA-N 2 0 337.424 -0.787 20 0 EBADRP C[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)CN1C(=O)C[NH+]1CCCC1 ZINC000989795949 808596820 /nfs/dbraw/zinc/59/68/20/808596820.db2.gz DZMNXSZYKBGJII-STQMWFEESA-N 2 0 337.424 -0.787 20 0 EBADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)O1 ZINC001001997666 809681983 /nfs/dbraw/zinc/68/19/83/809681983.db2.gz BYAKBYLYVAZZHG-BPLDGKMQSA-N 2 0 338.452 -0.768 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001002472484 809723898 /nfs/dbraw/zinc/72/38/98/809723898.db2.gz ALHYWNOMJKSTPU-ZDUSSCGKSA-N 2 0 337.424 -0.787 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001214665635 810270064 /nfs/dbraw/zinc/27/00/64/810270064.db2.gz HGSPJHJRPPZXHL-YVECIDJPSA-N 2 0 339.440 -0.652 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001214861512 810285981 /nfs/dbraw/zinc/28/59/81/810285981.db2.gz VOYKUOWNBVGMQM-DGCLKSJQSA-N 2 0 339.440 -0.637 20 0 EBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001214863793 810286263 /nfs/dbraw/zinc/28/62/63/810286263.db2.gz WQXYYMRERKIWBI-NTZNESFSSA-N 2 0 339.440 -0.509 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001214847762 810286477 /nfs/dbraw/zinc/28/64/77/810286477.db2.gz QWYWLBKEVXDRJR-VXGBXAGGSA-N 2 0 339.440 -0.637 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001215003804 810299131 /nfs/dbraw/zinc/29/91/31/810299131.db2.gz KWEQWLNFNZHNDY-VXGBXAGGSA-N 2 0 341.456 -0.391 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C)C(=O)NC(N)=O ZINC001215414401 810327944 /nfs/dbraw/zinc/32/79/44/810327944.db2.gz VYODVZCTXDBXRO-IJLUTSLNSA-N 2 0 339.440 -0.652 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C)C(=O)NC(N)=O ZINC001215453761 810329597 /nfs/dbraw/zinc/32/95/97/810329597.db2.gz QGTYNHZGHJAGGL-NQBHXWOUSA-N 2 0 339.440 -0.652 20 0 EBADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001216382831 810371528 /nfs/dbraw/zinc/37/15/28/810371528.db2.gz DKBQFVLKMSZDKI-HZSPNIEDSA-N 2 0 331.482 -0.191 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216383858 810371912 /nfs/dbraw/zinc/37/19/12/810371912.db2.gz RNDURGQDLHTFMN-FRRDWIJNSA-N 2 0 339.440 -0.780 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754096 810385345 /nfs/dbraw/zinc/38/53/45/810385345.db2.gz HGWJUWAXQBKUSJ-RBSFLKMASA-N 2 0 340.468 -0.473 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754008 810385561 /nfs/dbraw/zinc/38/55/61/810385561.db2.gz DFVSPPBCMZZXAU-RBSFLKMASA-N 2 0 340.468 -0.473 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001216752495 810385622 /nfs/dbraw/zinc/38/56/22/810385622.db2.gz REKOOKURGFMNSI-HZSPNIEDSA-N 2 0 331.482 -0.191 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216753977 810385812 /nfs/dbraw/zinc/38/58/12/810385812.db2.gz CCOILQGYAYTWNA-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001216757679 810385855 /nfs/dbraw/zinc/38/58/55/810385855.db2.gz INQSPRGXDNJLMT-GRYCIOLGSA-N 2 0 325.413 -0.898 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216756024 810386123 /nfs/dbraw/zinc/38/61/23/810386123.db2.gz OVEKUDAHFBNHDL-GDBMZVCRSA-N 2 0 340.468 -0.329 20 0 EBADRP O=C(N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001014451650 810433365 /nfs/dbraw/zinc/43/33/65/810433365.db2.gz AUXHUJKYDXDPBF-ZIAGYGMSSA-N 2 0 349.435 -0.930 20 0 EBADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1C[C@@H]2C[NH2+]C[C@@H]12 ZINC001218324227 810487969 /nfs/dbraw/zinc/48/79/69/810487969.db2.gz HLVISAZGVTUSOM-OPRDCNLKSA-N 2 0 336.392 -0.253 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1cccnc1-n1cccn1 ZINC001218501593 810495141 /nfs/dbraw/zinc/49/51/41/810495141.db2.gz IYXRAENLSYUDBO-CYBMUJFWSA-N 2 0 329.408 -0.044 20 0 EBADRP [NH3+][C@@H](C(=O)Nc1ccc(C(=O)N2CCOCC2)cn1)C1CC[NH2+]CC1 ZINC001218511712 810497050 /nfs/dbraw/zinc/49/70/50/810497050.db2.gz XLGHIBINYHIXDA-OAHLLOKOSA-N 2 0 347.419 -0.181 20 0 EBADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)nc2)CC1 ZINC001218516247 810497143 /nfs/dbraw/zinc/49/71/43/810497143.db2.gz WMBFREBEDJJSNH-AWEZNQCLSA-N 3 0 330.436 -0.419 20 0 EBADRP COc1ccc2nc(NC(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)nnc2c1 ZINC001218513212 810497225 /nfs/dbraw/zinc/49/72/25/810497225.db2.gz ZODZSSJUASXBGW-LBPRGKRZSA-N 2 0 345.407 -0.278 20 0 EBADRP CN1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)CCC[NH+](C)C)[C@H]3C2)C1=O ZINC001218558278 810502903 /nfs/dbraw/zinc/50/29/03/810502903.db2.gz WXRNWFJVPDEVSK-SOUVJXGZSA-N 2 0 338.452 -0.530 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001218576061 810504966 /nfs/dbraw/zinc/50/49/66/810504966.db2.gz TWLZDVJSAGDCTJ-HRCADAONSA-N 2 0 341.452 -0.753 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1nccnc1N1CCOCC1 ZINC001218570834 810506252 /nfs/dbraw/zinc/50/62/52/810506252.db2.gz PUCWUFBYKMHLAF-JTQLQIEISA-N 2 0 326.426 -0.729 20 0 EBADRP O=C(Nc1ncnc2c1ncn2[C@H]1CCCO1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218644954 810514900 /nfs/dbraw/zinc/51/49/00/810514900.db2.gz ZCPRXKZJFNFSNI-GHMZBOCLSA-N 2 0 343.391 -0.117 20 0 EBADRP Nc1cccnc1N(C(=O)[C@]12C[NH2+]C[C@@H]1CCN2)C1CC[NH2+]CC1 ZINC001218695087 810520718 /nfs/dbraw/zinc/52/07/18/810520718.db2.gz LUYXIBZWXPZCCS-SJCJKPOMSA-N 2 0 330.436 -0.300 20 0 EBADRP [NH3+]C1CCN(c2ccc(NC(=O)[C@@]34C[NH2+]C[C@H]3CCN4)cn2)CC1 ZINC001218724580 810524440 /nfs/dbraw/zinc/52/44/40/810524440.db2.gz KIADTYPPWURKQQ-SJKOYZFVSA-N 2 0 330.436 -0.101 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1cc2n(n1)CC(F)(F)CO2 ZINC001218751600 810526460 /nfs/dbraw/zinc/52/64/60/810526460.db2.gz LPJXBSRKSSPYAW-JTQLQIEISA-N 2 0 344.366 -0.400 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccnn1Br ZINC001218771870 810529482 /nfs/dbraw/zinc/52/94/82/810529482.db2.gz HBLPISHSTCOZTI-VIFPVBQESA-N 2 0 331.218 -0.270 20 0 EBADRP C[NH2+][C@@H](C)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218775058 810530463 /nfs/dbraw/zinc/53/04/63/810530463.db2.gz FAKLLYHHXZKTLU-IVZWLZJFSA-N 2 0 342.831 -0.762 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@H]21 ZINC001218819911 810535132 /nfs/dbraw/zinc/53/51/32/810535132.db2.gz RJFPNUJNMJPRSZ-QLFBSQMISA-N 2 0 338.452 -0.530 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC001218850018 810536259 /nfs/dbraw/zinc/53/62/59/810536259.db2.gz CLVQUOKSVLGSNM-LBPRGKRZSA-N 2 0 333.392 -0.294 20 0 EBADRP O=C(Nc1ccc(N2CC[NH+](CCO)CC2)cc1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001218872939 810538312 /nfs/dbraw/zinc/53/83/12/810538312.db2.gz DFAQALJKCBSKCF-CVEARBPZSA-N 2 0 334.420 -0.680 20 0 EBADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]C[C@@H](O)C1 ZINC001218879382 810538697 /nfs/dbraw/zinc/53/86/97/810538697.db2.gz AVFJDAYWYVKMJX-STQMWFEESA-N 2 0 332.404 -0.359 20 0 EBADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218879429 810538771 /nfs/dbraw/zinc/53/87/71/810538771.db2.gz DCXNXVLAWUHKFR-AWEZNQCLSA-N 3 0 343.431 -0.521 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](C[C@@H](O)COC)C[C@@H]21 ZINC001219004811 810555156 /nfs/dbraw/zinc/55/51/56/810555156.db2.gz VQYSMLHIRKZHOC-OWCLPIDISA-N 2 0 343.468 -0.363 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[NH+](CCN3C(=O)CCC3=O)C2)C1 ZINC001015999820 810648498 /nfs/dbraw/zinc/64/84/98/810648498.db2.gz XBQPOQLTCUMGJW-UONOGXRCSA-N 2 0 336.436 -0.332 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219501302 810723934 /nfs/dbraw/zinc/72/39/34/810723934.db2.gz TXXSHDTZLYWRRN-KRVQHAQSSA-N 2 0 346.387 -0.460 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@@]1(N)CC[NH2+]C1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219503360 810725478 /nfs/dbraw/zinc/72/54/78/810725478.db2.gz HUBGIQFCJDCPEW-DLBZAZTESA-N 2 0 345.403 -0.492 20 0 EBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2 ZINC001219538381 810742199 /nfs/dbraw/zinc/74/21/99/810742199.db2.gz YIALMNAFUAKQFS-OPQQBVKSSA-N 2 0 333.392 -0.151 20 0 EBADRP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219538253 810742230 /nfs/dbraw/zinc/74/22/30/810742230.db2.gz WRZGEURSUPMYSW-SCDSUCTJSA-N 2 0 330.388 -0.597 20 0 EBADRP C[NH2+][C@@H](COCc1ccccc1)C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001219595586 810763997 /nfs/dbraw/zinc/76/39/97/810763997.db2.gz GWPOUMVCGXBZMY-ZDUSSCGKSA-N 2 0 329.422 -0.462 20 0 EBADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219609870 810769936 /nfs/dbraw/zinc/76/99/36/810769936.db2.gz GQRNDDLYGMDPQL-LDYMZIIASA-N 2 0 341.355 -0.826 20 0 EBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1cccnc1O[C@H]1CC[NH2+]C1 ZINC001219626147 810777944 /nfs/dbraw/zinc/77/79/44/810777944.db2.gz ODTYWBPLRVTRDM-DETPVDSQSA-N 2 0 338.383 -0.385 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1 ZINC001219640746 810783027 /nfs/dbraw/zinc/78/30/27/810783027.db2.gz BSOKSVRYLDZFHS-BFHYXJOUSA-N 2 0 343.493 -0.237 20 0 EBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC[C@H]2C[NH2+]C[C@H](C)C2)COC1(C)C ZINC001219650696 810785769 /nfs/dbraw/zinc/78/57/69/810785769.db2.gz PSCNVTFXVPPOMI-XQHKEYJVSA-N 2 0 326.441 -0.341 20 0 EBADRP O=C(C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1)NCCC1(O)C[NH2+]C1 ZINC001219697599 810799771 /nfs/dbraw/zinc/79/97/71/810799771.db2.gz VAPHXVXIAPGOAR-MRXNPFEDSA-N 2 0 332.448 -0.309 20 0 EBADRP O=C(C[C@H]1CN(Cc2ccccc2)CC[NH2+]1)NCCC1(O)C[NH2+]C1 ZINC001219697597 810799993 /nfs/dbraw/zinc/79/99/93/810799993.db2.gz VAPHXVXIAPGOAR-INIZCTEOSA-N 2 0 332.448 -0.309 20 0 EBADRP CS(=O)(=O)c1ccc(CNC(=O)[C@@H]([NH3+])CSCC[NH3+])nc1 ZINC001219716297 810805253 /nfs/dbraw/zinc/80/52/53/810805253.db2.gz IXJKRBSSQRJJCY-NSHDSACASA-N 2 0 332.451 -0.880 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219739421 810816917 /nfs/dbraw/zinc/81/69/17/810816917.db2.gz NZXKQWLKCMUAOF-CABCVRRESA-N 2 0 346.431 -0.833 20 0 EBADRP [NH3+][C@H](C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1)C1CCC2(CC1)OCCO2 ZINC001219736485 810817332 /nfs/dbraw/zinc/81/73/32/810817332.db2.gz CRCNHJTWRPCFSK-KBPBESRZSA-N 2 0 339.436 -0.258 20 0 EBADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001219737154 810817510 /nfs/dbraw/zinc/81/75/10/810817510.db2.gz PTDZHBYYTYTPPK-RDBSUJKOSA-N 2 0 336.436 -0.776 20 0 EBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001219748965 810823120 /nfs/dbraw/zinc/82/31/20/810823120.db2.gz FMWSYOVQCFTZAJ-WBMJQRKESA-N 2 0 334.424 -0.454 20 0 EBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001219749165 810823525 /nfs/dbraw/zinc/82/35/25/810823525.db2.gz ISYJTWCGPKFZRP-UONOGXRCSA-N 2 0 347.467 -0.539 20 0 EBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001219748748 810823961 /nfs/dbraw/zinc/82/39/61/810823961.db2.gz AIJFLVQMCJCXOM-LBPRGKRZSA-N 2 0 334.424 -0.454 20 0 EBADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219794116 810843971 /nfs/dbraw/zinc/84/39/71/810843971.db2.gz QWSBMQQTZMRZFI-RDTXWAMCSA-N 4 0 335.496 -0.482 20 0 EBADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@@H]1CNCc2ccnn21 ZINC001219793675 810844606 /nfs/dbraw/zinc/84/46/06/810844606.db2.gz JNJFJAINOFICTO-INIZCTEOSA-N 2 0 332.452 -0.140 20 0 EBADRP [NH3+]C1(C(=O)NCC[C@@H]2CCOC23C[NH2+]C3)CCC2(CC1)OCCO2 ZINC001219800627 810848101 /nfs/dbraw/zinc/84/81/01/810848101.db2.gz LRKSQSRYSFQIDH-CYBMUJFWSA-N 2 0 339.436 -0.114 20 0 EBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219802710 810849627 /nfs/dbraw/zinc/84/96/27/810849627.db2.gz AQGXKJMCZFNYGV-OBJOEFQTSA-N 2 0 326.441 -0.639 20 0 EBADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831376 810866232 /nfs/dbraw/zinc/86/62/32/810866232.db2.gz IOZJQMRJXXZYQL-NDBYEHHHSA-N 2 0 327.425 -0.201 20 0 EBADRP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831585 810867027 /nfs/dbraw/zinc/86/70/27/810867027.db2.gz PTMCAVKSVVMGNB-LPWJVIDDSA-N 2 0 327.425 -0.071 20 0 EBADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001219831554 810867148 /nfs/dbraw/zinc/86/71/48/810867148.db2.gz OQFUJHPWOJNKAL-KBXIAJHMSA-N 2 0 345.447 -0.373 20 0 EBADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)c1cccnc1O[C@@H]1CC[NH2+]C1 ZINC001219833759 810868463 /nfs/dbraw/zinc/86/84/63/810868463.db2.gz IVQZYRHDYUZPOQ-BHPKHCPMSA-N 2 0 332.404 -0.071 20 0 EBADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1CC[C@H]2[NH2+]CC[C@H]2O1 ZINC001219833685 810868556 /nfs/dbraw/zinc/86/85/56/810868556.db2.gz GNNOHQWWTGAGNB-ZAPJKBGESA-N 2 0 339.436 -0.593 20 0 EBADRP NC(=[NH2+])NCCCCC(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837286 810871137 /nfs/dbraw/zinc/87/11/37/810871137.db2.gz IVYDCBIQAVLJBZ-SWLSCSKDSA-N 2 0 327.429 -0.849 20 0 EBADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1n[nH]c2c1CC[NH2+]C2 ZINC001219843701 810875190 /nfs/dbraw/zinc/87/51/90/810875190.db2.gz BIUHUYBSHZWLBO-ZBEGNZNMSA-N 2 0 335.408 -0.820 20 0 EBADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001219856156 810880662 /nfs/dbraw/zinc/88/06/62/810880662.db2.gz AIFVQPNSTTWZQE-BJZZIADLSA-N 2 0 342.443 -0.185 20 0 EBADRP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001219867314 810888769 /nfs/dbraw/zinc/88/87/69/810888769.db2.gz LXQLQTGINUVVOB-ZNMIVQPWSA-N 2 0 341.452 -0.969 20 0 EBADRP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877874 810891476 /nfs/dbraw/zinc/89/14/76/810891476.db2.gz TXPGYVVQROWNGP-KFWWJZLASA-N 2 0 343.468 -0.459 20 0 EBADRP [NH3+][C@@H](CCc1cc(=O)oc2cc(O)ccc12)C(=O)NCC[NH2+]CCO ZINC001219919093 810906849 /nfs/dbraw/zinc/90/68/49/810906849.db2.gz XGYMNSIHANJTLF-AWEZNQCLSA-N 2 0 349.387 -0.543 20 0 EBADRP COc1ccc(CSC[C@H]([NH3+])C(=O)NCC[NH2+]CCO)cc1 ZINC001219919039 810907026 /nfs/dbraw/zinc/90/70/26/810907026.db2.gz WDFRIGLXFDAMSZ-AWEZNQCLSA-N 2 0 327.450 -0.046 20 0 EBADRP CS(=O)(=O)N(C(=O)[C@@H](N)C1CC[NH2+]CC1)c1ccc(C[NH3+])cc1 ZINC001219938812 810916681 /nfs/dbraw/zinc/91/66/81/810916681.db2.gz FZNRWBMTLHOTOR-AWEZNQCLSA-N 2 0 340.449 -0.235 20 0 EBADRP CS(=O)(=O)N(C(=O)[C@@H](N)CSCC[NH3+])c1ccc(C[NH3+])cc1 ZINC001219938782 810917105 /nfs/dbraw/zinc/91/71/05/810917105.db2.gz DUUXEQQDEHCBDK-LBPRGKRZSA-N 2 0 346.478 -0.543 20 0 EBADRP CS(=O)(=O)N(C(=O)[C@H](N)C1CC[NH2+]CC1)c1ccc(C[NH3+])cc1 ZINC001219938813 810917170 /nfs/dbraw/zinc/91/71/70/810917170.db2.gz FZNRWBMTLHOTOR-CQSZACIVSA-N 2 0 340.449 -0.235 20 0 EBADRP COC(=O)[C@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1ccc(OC)cc1 ZINC001219975370 810933500 /nfs/dbraw/zinc/93/35/00/810933500.db2.gz RFUVDQKBZFIJIT-UONOGXRCSA-N 2 0 333.388 -0.166 20 0 EBADRP COC(=O)C1(NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)CCN2)CC[NH2+]CC1 ZINC001220001868 810941452 /nfs/dbraw/zinc/94/14/52/810941452.db2.gz YUQNSFXWKXEVIN-LBPRGKRZSA-N 2 0 326.441 -0.530 20 0 EBADRP COC(=O)C1(NC(=O)c2cccnc2N2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001220000996 810942296 /nfs/dbraw/zinc/94/22/96/810942296.db2.gz BUABIPRFVUIZPS-UHFFFAOYSA-N 2 0 347.419 -0.484 20 0 EBADRP N=c1sc2c(n1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)CC[C@H]([NH3+])C2 ZINC001220025397 810953713 /nfs/dbraw/zinc/95/37/13/810953713.db2.gz NRLODRDGXVOPIV-QWRGUYRKSA-N 3 0 338.481 -0.764 20 0 EBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC001220064225 810967274 /nfs/dbraw/zinc/96/72/74/810967274.db2.gz WKJSUODUGUGFCB-AGIUHOORSA-N 2 0 341.456 -0.926 20 0 EBADRP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220077995 810973493 /nfs/dbraw/zinc/97/34/93/810973493.db2.gz FAUGQCFJHQQJCG-KFWWJZLASA-N 2 0 343.468 -0.581 20 0 EBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NC1(C[NH3+])COC1 ZINC001220157088 811003474 /nfs/dbraw/zinc/00/34/74/811003474.db2.gz WNAQGAQMYCIFGY-SRVKXCTJSA-N 2 0 346.497 -0.558 20 0 EBADRP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001220163965 811004927 /nfs/dbraw/zinc/00/49/27/811004927.db2.gz XFTYHDQAZRXXMB-NFAWXSAZSA-N 2 0 341.477 -0.198 20 0 EBADRP C[N@@H+]1C[C@H](C(=O)NC[C@@H]2CCNCC2(F)F)OC2(CC[NH2+]CC2)C1 ZINC001220186597 811009189 /nfs/dbraw/zinc/00/91/89/811009189.db2.gz SCHAUPDFTDKLEA-QWHCGFSZSA-N 2 0 346.422 -0.200 20 0 EBADRP C[N@@H+]1C[C@@H](C(=O)NC[C@H]2CCNCC2(F)F)OC2(CC[NH2+]CC2)C1 ZINC001220186595 811009948 /nfs/dbraw/zinc/00/99/48/811009948.db2.gz SCHAUPDFTDKLEA-OLZOCXBDSA-N 2 0 346.422 -0.200 20 0 EBADRP COC(=O)[C@@]1(NC(=O)CNCC[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC001220228292 811026214 /nfs/dbraw/zinc/02/62/14/811026214.db2.gz HTIYDWVAFDEPFU-QGZVFWFLSA-N 2 0 334.420 -0.531 20 0 EBADRP COC(=O)[C@]1(NC(=O)[C@H]2C[NH2+]C[C@@H]2N)CC[N@H+](Cc2ccccc2)C1 ZINC001220228734 811026657 /nfs/dbraw/zinc/02/66/57/811026657.db2.gz WAFQPYJYCGFOMF-MPGHIAIKSA-N 2 0 346.431 -0.533 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCc1cn2ccccc2n1 ZINC001220278401 811044698 /nfs/dbraw/zinc/04/46/98/811044698.db2.gz QXHOPEYWBLIBIM-OAHLLOKOSA-N 2 0 330.436 -0.257 20 0 EBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220319038 811055821 /nfs/dbraw/zinc/05/58/21/811055821.db2.gz CMEIGDPWVRFQKJ-HEHGZKQESA-N 2 0 326.441 -0.497 20 0 EBADRP CCOCC[N@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387157 811086221 /nfs/dbraw/zinc/08/62/21/811086221.db2.gz DFDRXNNJRCRYJY-OAGGEKHMSA-N 2 0 343.468 -0.315 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220429045 811104209 /nfs/dbraw/zinc/10/42/09/811104209.db2.gz KDROOBNZIDHTOS-TWMKSMIVSA-N 2 0 342.443 -0.437 20 0 EBADRP CN(CC[NH3+])CCNC(=O)c1ccc(C(=O)NC2CC[NH2+]CC2)cc1 ZINC001220517701 811133893 /nfs/dbraw/zinc/13/38/93/811133893.db2.gz WNBGXFQILYUWNA-UHFFFAOYSA-N 2 0 347.463 -0.211 20 0 EBADRP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)NCCOCCOCC[NH3+] ZINC001220519418 811135812 /nfs/dbraw/zinc/13/58/12/811135812.db2.gz NMBHKRAOGBRYBV-ZDUSSCGKSA-N 2 0 347.456 -0.066 20 0 EBADRP [NH3+]CCOCCOCCNC(=O)[C@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001220519675 811135948 /nfs/dbraw/zinc/13/59/48/811135948.db2.gz XLNGIPCPWCILIS-LSDHHAIUSA-N 2 0 328.457 -0.689 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]Cc3ccnn3C2)CC[NH2+]C1 ZINC001220521226 811137704 /nfs/dbraw/zinc/13/77/04/811137704.db2.gz AOQSHFWPGYTQGE-LLVKDONJSA-N 2 0 333.392 -0.471 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])CCCCNC(C)=O)CC[NH2+]C1 ZINC001220523324 811139034 /nfs/dbraw/zinc/13/90/34/811139034.db2.gz MHWCQTGPPWKNOJ-ZDUSSCGKSA-N 2 0 340.424 -0.453 20 0 EBADRP CC(C)([NH3+])CN(C(=O)[C@@H]1C[NH2+]C[C@H]1O)S(=O)(=O)c1ccccc1 ZINC001220535570 811143371 /nfs/dbraw/zinc/14/33/71/811143371.db2.gz GCTZWBWMMMARNL-CHWSQXEVSA-N 2 0 341.433 -0.479 20 0 EBADRP CCOC1CC(C[N@H+]2C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C2)C1 ZINC001220768412 811235011 /nfs/dbraw/zinc/23/50/11/811235011.db2.gz KLMSMBJVPMMMBZ-FJBKBRRZSA-N 2 0 343.468 -0.459 20 0 EBADRP O=C(N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001220799374 811245997 /nfs/dbraw/zinc/24/59/97/811245997.db2.gz AANAQUZTLDPUQD-GARJFASQSA-N 2 0 348.369 -0.241 20 0 EBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220805715 811248332 /nfs/dbraw/zinc/24/83/32/811248332.db2.gz UVWHNXBDQPMWCV-LPEHRKFASA-N 2 0 342.387 -0.203 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220806223 811248394 /nfs/dbraw/zinc/24/83/94/811248394.db2.gz ZCGISOJDWCBPTQ-SRVKXCTJSA-N 3 0 337.390 -0.607 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ncccc23)C[NH2+]C1 ZINC001220828827 811258025 /nfs/dbraw/zinc/25/80/25/811258025.db2.gz UXRIJIXPWXSCBW-ZDUSSCGKSA-N 2 0 343.387 -0.031 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220829236 811258244 /nfs/dbraw/zinc/25/82/44/811258244.db2.gz PAIUXHGABCGLDJ-ZNMIVQPWSA-N 2 0 340.468 -0.594 20 0 EBADRP CCOC(=O)C1(NC(=O)[C@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)C[NH2+]C1 ZINC001220851522 811266785 /nfs/dbraw/zinc/26/67/85/811266785.db2.gz YVEXACAHEXZGGY-ZDUSSCGKSA-N 3 0 338.452 -0.528 20 0 EBADRP [NH3+]CCN=c1ccc(Br)cn1C(=O)CN1CC[NH2+]CC1 ZINC001220870605 811275948 /nfs/dbraw/zinc/27/59/48/811275948.db2.gz MKLDNWYXLXQYDH-UHFFFAOYSA-N 2 0 342.241 -0.345 20 0 EBADRP [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@@H]1C[NH2+]CCN1 ZINC001220871115 811276373 /nfs/dbraw/zinc/27/63/73/811276373.db2.gz TXKVAQWNJIRJLI-JTQLQIEISA-N 2 0 328.214 -0.688 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CC(N)=O)C2)cn1 ZINC001036841310 811282361 /nfs/dbraw/zinc/28/23/61/811282361.db2.gz UPWHAHCGRVFTIM-ZFWWWQNUSA-N 2 0 348.451 -0.534 20 0 EBADRP O=C(CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)N1CC[NH+](C2CCCCC2)CC1 ZINC001220898441 811287226 /nfs/dbraw/zinc/28/72/26/811287226.db2.gz JYGVFBMXOHBKRK-HUUCEWRRSA-N 2 0 338.452 -0.698 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220936039 811300616 /nfs/dbraw/zinc/30/06/16/811300616.db2.gz BTENUQYTFQWAFS-CABCVRRESA-N 2 0 334.420 -0.833 20 0 EBADRP [NH3+][C@H](C(=O)NCCO[C@H]1CC[NH2+]C1)C1CCC2(CC1)OCCO2 ZINC001220936342 811301818 /nfs/dbraw/zinc/30/18/18/811301818.db2.gz FHFCESFTOZZARZ-KBPBESRZSA-N 2 0 327.425 -0.258 20 0 EBADRP [NH3+][C@H](C(=O)NCCO[C@@H]1CC[NH2+]C1)C1CCC2(CC1)OCCO2 ZINC001220936344 811301832 /nfs/dbraw/zinc/30/18/32/811301832.db2.gz FHFCESFTOZZARZ-KGLIPLIRSA-N 2 0 327.425 -0.258 20 0 EBADRP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985729 811325521 /nfs/dbraw/zinc/32/55/21/811325521.db2.gz CZYSGMJVEZJMSX-XHSDSOJGSA-N 2 0 343.468 -0.457 20 0 EBADRP COCCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986058 811327838 /nfs/dbraw/zinc/32/78/38/811327838.db2.gz QNKLTOGVWVXSEA-OAGGEKHMSA-N 2 0 343.468 -0.457 20 0 EBADRP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081905 811369605 /nfs/dbraw/zinc/36/96/05/811369605.db2.gz YJYTWRIKXUGMIL-KFWWJZLASA-N 2 0 329.441 -0.969 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1ccn(CC(F)(F)F)n1 ZINC001221108571 811381868 /nfs/dbraw/zinc/38/18/68/811381868.db2.gz ZKFXIWVWGYKFCK-GFCCVEGCSA-N 2 0 348.373 -0.188 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001221190118 811412388 /nfs/dbraw/zinc/41/23/88/811412388.db2.gz CGPHYRVJFUIERY-RDBSUJKOSA-N 2 0 326.441 -0.401 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221248210 811426225 /nfs/dbraw/zinc/42/62/25/811426225.db2.gz NNMJRTRFGIDTNR-CQSZACIVSA-N 2 0 332.470 -0.755 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1c2ccccc2NC1=O ZINC001221312099 811438024 /nfs/dbraw/zinc/43/80/24/811438024.db2.gz UMUUTSZWTSBZSS-KBPBESRZSA-N 2 0 331.420 -0.411 20 0 EBADRP COC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001221336731 811442623 /nfs/dbraw/zinc/44/26/23/811442623.db2.gz JYRNDSBGKURALF-LSDHHAIUSA-N 2 0 349.435 -0.968 20 0 EBADRP COC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221340059 811444779 /nfs/dbraw/zinc/44/47/79/811444779.db2.gz SPJUOJRTBIFGOU-CKEIUWERSA-N 2 0 332.404 -0.519 20 0 EBADRP NC1=CC=C(C2CCN(C(=O)[C@H]3NC(=O)CC34C[NH2+]C4)CC2)[NH2+]C1 ZINC001221391335 811448889 /nfs/dbraw/zinc/44/88/89/811448889.db2.gz LNTTZVWVCTWFJH-OAHLLOKOSA-N 2 0 331.420 -0.967 20 0 EBADRP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CCOCCO)C[C@H]32)CC1 ZINC001221787025 811534747 /nfs/dbraw/zinc/53/47/47/811534747.db2.gz HRWVWFPIZWQPII-HZPDHXFCSA-N 2 0 325.453 -0.130 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001221791541 811536711 /nfs/dbraw/zinc/53/67/11/811536711.db2.gz RAXOASUWNISABF-CHWSQXEVSA-N 2 0 337.424 -0.977 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[NH+](CCOCCO)C[C@H]32)C1 ZINC001221945743 811567973 /nfs/dbraw/zinc/56/79/73/811567973.db2.gz YBWMTAXHWOBIFT-ARFHVFGLSA-N 2 0 325.453 -0.130 20 0 EBADRP O=C1CN(Cc2cccc(N3CC[NH2+]CC3)c2)[C@]2(CC[NH2+]C2)CN1 ZINC001222373522 811624941 /nfs/dbraw/zinc/62/49/41/811624941.db2.gz LWLFUCJFSUTRAO-SFHVURJKSA-N 2 0 329.448 -0.240 20 0 EBADRP O=C1CN(Cc2ccc(N3CC[NH2+]CC3)nc2)[C@]2(CC[NH2+]C2)CN1 ZINC001222379595 811626626 /nfs/dbraw/zinc/62/66/26/811626626.db2.gz DZRVHKBQOLLUSL-KRWDZBQOSA-N 2 0 330.436 -0.845 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001223611991 811716902 /nfs/dbraw/zinc/71/69/02/811716902.db2.gz WETFCJVBEJIMIU-ZDUSSCGKSA-N 2 0 339.440 -0.506 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2CC[NH+](CC(=O)NC(N)=O)CC2)C1 ZINC001225168369 811797362 /nfs/dbraw/zinc/79/73/62/811797362.db2.gz VHHFBUDEJHZXLK-ZDUSSCGKSA-N 2 0 339.440 -0.649 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001225244052 811800103 /nfs/dbraw/zinc/80/01/03/811800103.db2.gz FBMJXXHZEYZRFL-CQSZACIVSA-N 2 0 338.452 -0.038 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001225427274 811808651 /nfs/dbraw/zinc/80/86/51/811808651.db2.gz NTCOMXFTRIRDEK-WCQYABFASA-N 2 0 339.440 -0.650 20 0 EBADRP COC[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001227408830 811922257 /nfs/dbraw/zinc/92/22/57/811922257.db2.gz YPMVGADWTIZXJP-JKSUJKDBSA-N 2 0 325.453 -0.084 20 0 EBADRP C[NH+](C)C1(C(=O)NC2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)CCC1 ZINC001227807305 811942626 /nfs/dbraw/zinc/94/26/26/811942626.db2.gz QRNXXRBNUXDCCQ-ZDUSSCGKSA-N 2 0 336.436 -0.144 20 0 EBADRP CC(C)[C@@H](C(=O)NC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1)[NH+](C)C ZINC001227899297 811948206 /nfs/dbraw/zinc/94/82/06/811948206.db2.gz DOKAMPINGFNERS-ZFWWWQNUSA-N 2 0 338.452 -0.042 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCO ZINC001229710757 812050361 /nfs/dbraw/zinc/05/03/61/812050361.db2.gz SUZAYHAPWMFANM-HUUCEWRRSA-N 2 0 331.457 -0.410 20 0 EBADRP Cn1nnnc1CN[C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229710248 812050446 /nfs/dbraw/zinc/05/04/46/812050446.db2.gz PXYVXBLEHMLGCZ-CHWSQXEVSA-N 2 0 339.444 -0.695 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229717034 812050940 /nfs/dbraw/zinc/05/09/40/812050940.db2.gz NWQBTEBGDJSXQZ-MGPQQGTHSA-N 2 0 328.457 -0.284 20 0 EBADRP CC[N@H+](C)CCC(=O)NC1CC[NH+](CCN2CCNC2=O)CC1 ZINC001229909521 812062251 /nfs/dbraw/zinc/06/22/51/812062251.db2.gz YDCXAPQSFASICY-UHFFFAOYSA-N 2 0 325.457 -0.066 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001230141779 812079879 /nfs/dbraw/zinc/07/98/79/812079879.db2.gz TWMALKYVBHALCO-CHWSQXEVSA-N 2 0 339.440 -0.445 20 0 EBADRP CN(CC[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1)S(C)(=O)=O ZINC001230268019 812095569 /nfs/dbraw/zinc/09/55/69/812095569.db2.gz WOMHYPFDLSUAKJ-UHFFFAOYSA-N 2 0 346.497 -0.446 20 0 EBADRP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+](Cc1cn3c(n1)CNCC3)C2 ZINC001235339846 812482734 /nfs/dbraw/zinc/48/27/34/812482734.db2.gz VXKLOPWFIKPZGT-PXMRGAAZSA-N 2 0 345.447 -0.183 20 0 EBADRP Cn1cc(N2C[C@]3(COCC[N@H+](CCCC[NH3+])C3)OCC2=O)cn1 ZINC001235592536 812499412 /nfs/dbraw/zinc/49/94/12/812499412.db2.gz IAXPOOKDUOUCTL-MRXNPFEDSA-N 2 0 337.424 -0.407 20 0 EBADRP COc1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc(OC)c1O ZINC001235868418 812513423 /nfs/dbraw/zinc/51/34/23/812513423.db2.gz DLDMHGJGPQFQHG-UHFFFAOYSA-N 2 0 338.452 -0.006 20 0 EBADRP CS(=O)(=O)c1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc1 ZINC001235870234 812514665 /nfs/dbraw/zinc/51/46/65/812514665.db2.gz HOIVAKWQDGXBEP-UHFFFAOYSA-N 2 0 340.493 -0.326 20 0 EBADRP c1cc(N2CCOCC2)ncc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870252 812514791 /nfs/dbraw/zinc/51/47/91/812514791.db2.gz IMMOGCDVZKITAU-UHFFFAOYSA-N 2 0 348.495 -0.497 20 0 EBADRP CC1(C)O[C@@H]2O[C@@H](C[NH+]3CCC(N4CC[NH2+]CC4)CC3)[C@@H](O)[C@@H]2O1 ZINC001236129187 812515480 /nfs/dbraw/zinc/51/54/80/812515480.db2.gz PNUKYIVUWWLNPW-FZKCQIBNSA-N 2 0 341.452 -0.407 20 0 EBADRP C[C@@H]([NH3+])CN1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001236265621 812515996 /nfs/dbraw/zinc/51/59/96/812515996.db2.gz YXWJTJHRRCOAJB-RDBSUJKOSA-N 2 0 345.438 -0.451 20 0 EBADRP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CCC[C@H](N4CC([NH3+])C4)C3)[C@@H](O)[C@@H]2O1 ZINC001236074503 812516181 /nfs/dbraw/zinc/51/61/81/812516181.db2.gz ZBUWHGWCFLSGGO-RMEBNNNOSA-N 2 0 327.425 -0.669 20 0 EBADRP CSc1ncc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cn1 ZINC001236307247 812516306 /nfs/dbraw/zinc/51/63/06/812516306.db2.gz FCBDSGNBFIQDIF-UHFFFAOYSA-N 2 0 326.470 -0.186 20 0 EBADRP Nc1ccc2c(c1)[nH]nc2CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236315444 812516846 /nfs/dbraw/zinc/51/68/46/812516846.db2.gz QBXKRAQVLGNUCE-UHFFFAOYSA-N 2 0 333.440 -0.239 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccc2c(n1)OCCO2 ZINC001236311513 812516898 /nfs/dbraw/zinc/51/68/98/812516898.db2.gz JQOSQJOITZFNIY-UHFFFAOYSA-N 2 0 337.424 -0.531 20 0 EBADRP C(C[N@H+](CC1CC[NH2+]CC1)C[C@H]1COCCN1)N1CCOCC1 ZINC001236399919 812518063 /nfs/dbraw/zinc/51/80/63/812518063.db2.gz SPFQBGPJFLBZNL-KRWDZBQOSA-N 2 0 326.485 -0.391 20 0 EBADRP C(CN1CCOCC1)C[N@H+](CC1CC[NH2+]CC1)C[C@@H]1COCCN1 ZINC001236386006 812518465 /nfs/dbraw/zinc/51/84/65/812518465.db2.gz KINSKYNVHRKPND-GOSISDBHSA-N 2 0 340.512 -0.001 20 0 EBADRP C(CN1CCOCC1)C[N@H+](CC1CC[NH2+]CC1)C[C@@H]1CNCCO1 ZINC001236385411 812518762 /nfs/dbraw/zinc/51/87/62/812518762.db2.gz AJCKPEDBZGXEBE-SFHVURJKSA-N 2 0 340.512 -0.001 20 0 EBADRP Cc1ncc(S(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)n1C ZINC001238243371 812525068 /nfs/dbraw/zinc/52/50/68/812525068.db2.gz UIMNSSRDKWMUJW-LBPRGKRZSA-N 2 0 327.454 -0.119 20 0 EBADRP CCOC(=O)C1(CNS(=O)(=O)C2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001238695478 812531090 /nfs/dbraw/zinc/53/10/90/812531090.db2.gz FHWWBVBLCUQLFY-UHFFFAOYSA-N 2 0 333.454 -0.409 20 0 EBADRP CCOC(=O)C1(NS(=O)(=O)CC2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001238886761 812534930 /nfs/dbraw/zinc/53/49/30/812534930.db2.gz HECSRJJGEYSZDH-UHFFFAOYSA-N 2 0 333.454 -0.409 20 0 EBADRP [NH3+]CCCC[C@H](NS(=O)(=O)[C@H]1CC[NH2+]C1)C(=O)N1CCCC1 ZINC001238916950 812536251 /nfs/dbraw/zinc/53/62/51/812536251.db2.gz JJYNWNQYZIBYJW-STQMWFEESA-N 2 0 332.470 -0.612 20 0 EBADRP CCOC(=O)[C@@]12CN(S(=O)(=O)[C@H]3CC[NH2+]C3)C[C@@H]1C[NH2+]CCC2 ZINC001238996067 812538307 /nfs/dbraw/zinc/53/83/07/812538307.db2.gz OKAIVIONLPVPAO-YDHLFZDLSA-N 2 0 345.465 -0.457 20 0 EBADRP CCOC(=O)[C@H]1CC2(CN1S(=O)(=O)[C@H]1CC[NH2+]C1)CC[NH2+]CC2 ZINC001239000822 812539129 /nfs/dbraw/zinc/53/91/29/812539129.db2.gz OQFVZXXZWLFFQG-QWHCGFSZSA-N 2 0 345.465 -0.315 20 0 EBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCN(C2CC[NH2+]CC2)CC1 ZINC001239084300 812543561 /nfs/dbraw/zinc/54/35/61/812543561.db2.gz KTGAOROAYPSUPK-UHFFFAOYSA-N 2 0 330.498 -0.315 20 0 EBADRP Nc1ccccc1S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239131654 812547145 /nfs/dbraw/zinc/54/71/45/812547145.db2.gz STFYVARDYLVPTF-UHFFFAOYSA-N 2 0 343.453 -0.927 20 0 EBADRP COC(=O)[C@H]1CCC[N@@H+](C2CCN(S(=O)(=O)CC[NH3+])CC2)C1 ZINC001239136386 812548575 /nfs/dbraw/zinc/54/85/75/812548575.db2.gz JSAVWJLQRPMSJJ-LBPRGKRZSA-N 2 0 333.454 -0.376 20 0 EBADRP [NH3+]CCCC[NH2+]CCCNC(=S)NCCCN1CCOCC1 ZINC001239396133 812552310 /nfs/dbraw/zinc/55/23/10/812552310.db2.gz VZPISRWXIANMLA-UHFFFAOYSA-N 2 0 331.530 -0.109 20 0 EBADRP CS(=O)(=O)c1nc2c(c(-c3cnn(C4C[NH2+]C4)c3)n1)CC[NH2+]CC2 ZINC001241589912 812554250 /nfs/dbraw/zinc/55/42/50/812554250.db2.gz SRSIJHJNCSFNOF-UHFFFAOYSA-N 2 0 348.432 -0.424 20 0 EBADRP O[C@H](C[NH2+]C[C@H]1CO[C@]2(C1)CCC[NH2+]C2)CC1(O)CC[NH2+]CC1 ZINC001245978683 812557542 /nfs/dbraw/zinc/55/75/42/812557542.db2.gz OXDZKXAOXMQTFJ-ZOBUZTSGSA-N 3 0 327.469 -0.400 20 0 EBADRP O[C@@H](C[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)CC1(O)CC[NH2+]CC1 ZINC001245991015 812558698 /nfs/dbraw/zinc/55/86/98/812558698.db2.gz AXVIEWOPQNORMA-HUUCEWRRSA-N 3 0 327.469 -0.400 20 0 EBADRP COC(=O)[C@H]1C[NH2+]CCN1C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001246027675 812559607 /nfs/dbraw/zinc/55/96/07/812559607.db2.gz YFNAUAZEYYZZOX-RRFJBIMHSA-N 2 0 343.374 -0.358 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001246027521 812559741 /nfs/dbraw/zinc/55/97/41/812559741.db2.gz AUEJUYIXJXITNW-SCTDSRPQSA-N 2 0 346.475 -0.139 20 0 EBADRP O[C@H](CN1CC[NH2+]C[C@@]2(CCCCN2)C1)CC1(O)CC[NH2+]CC1 ZINC001246024283 812559761 /nfs/dbraw/zinc/55/97/61/812559761.db2.gz DXJKJJTYBJVURU-HOTGVXAUSA-N 2 0 326.485 -0.731 20 0 EBADRP [NH3+]CCN1CCN(C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)CC1 ZINC001246032155 812560892 /nfs/dbraw/zinc/56/08/92/812560892.db2.gz JFCPDPYZFVUNFB-JKSUJKDBSA-N 2 0 328.407 -0.228 20 0 EBADRP O[C@@]1(C[N@H+](CCN2CCOCC2)CC2CC[NH2+]CC2)CCC[NH2+]C1 ZINC001246059742 812562094 /nfs/dbraw/zinc/56/20/94/812562094.db2.gz CKPMSTJFTMZOPR-SFHVURJKSA-N 3 0 340.512 -0.265 20 0 EBADRP COC(=O)[C@@H](N[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)C(C)(C)[NH3+] ZINC001246125243 812564742 /nfs/dbraw/zinc/56/47/42/812564742.db2.gz HWESECOYTFLDAZ-OUAUKWLOSA-N 2 0 330.454 -0.882 20 0 EBADRP O=C([C@@H]1C[C@@H](NC[C@]23C[NH2+]C[C@H]2COC3)C[NH2+]1)N1CCSC1 ZINC001246136829 812565940 /nfs/dbraw/zinc/56/59/40/812565940.db2.gz WPONARJPNDCXCV-XFMPKHEZSA-N 2 0 326.466 -0.925 20 0 EBADRP O=C([C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCOC23C[NH2+]C3)CN1)N1CCSC1 ZINC001246139485 812566339 /nfs/dbraw/zinc/56/63/39/812566339.db2.gz UVFBMUJLTQWFNW-MCIONIFRSA-N 2 0 340.493 -0.392 20 0 EBADRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246214565 812568043 /nfs/dbraw/zinc/56/80/43/812568043.db2.gz FNCHBZYPMYWMIM-BJWYYQGGSA-N 3 0 345.484 -0.116 20 0 EBADRP CN(c1ncccc1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)S(C)(=O)=O ZINC001246212059 812568344 /nfs/dbraw/zinc/56/83/44/812568344.db2.gz UPGUVQGPCSIVAP-CYBMUJFWSA-N 2 0 339.465 -0.339 20 0 EBADRP COC(=O)C1C[C@@H]2CC(NC3(C(=O)OC)CC[NH2+]CC3)C[C@H](C1)[NH2+]2 ZINC001246193940 812568680 /nfs/dbraw/zinc/56/86/80/812568680.db2.gz YAHXQZASVGJIRS-AKJUYKBHSA-N 2 0 339.436 -0.057 20 0 EBADRP CCOC(=O)C[C@H]([NH2+][C@@H]1CN[C@H](C(=O)OC)C1)C1CC[NH2+]CC1 ZINC001246231491 812569134 /nfs/dbraw/zinc/56/91/34/812569134.db2.gz UVBDDDMCSLUZLJ-IHRRRGAJSA-N 2 0 327.425 -0.199 20 0 EBADRP COCCOCCOCCOCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246292986 812570331 /nfs/dbraw/zinc/57/03/31/812570331.db2.gz ZPGFQEZXSFOXCJ-HNNXBMFYSA-N 2 0 331.457 -0.634 20 0 EBADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCOCCOCCOCC[NH3+])CN1 ZINC001246290065 812570955 /nfs/dbraw/zinc/57/09/55/812570955.db2.gz PAXKUGLUCYCJRY-GJZGRUSLSA-N 2 0 347.456 -0.732 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])N[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246401734 812571810 /nfs/dbraw/zinc/57/18/10/812571810.db2.gz OFSSUZSVHUUXIY-WOPDTQHZSA-N 2 0 330.454 -0.880 20 0 EBADRP [NH3+]C1CCN(CCN[C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC1 ZINC001246407735 812571973 /nfs/dbraw/zinc/57/19/73/812571973.db2.gz YXDLHPVFCOHEAU-KGLIPLIRSA-N 2 0 327.498 -0.738 20 0 EBADRP COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+]CCCNCCC[NH3+] ZINC001246453395 812572788 /nfs/dbraw/zinc/57/27/88/812572788.db2.gz NRWWKTXIRLACCA-CYBMUJFWSA-N 2 0 337.486 -0.339 20 0 EBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)C[C@H]1C(=O)OC ZINC001246420223 812573163 /nfs/dbraw/zinc/57/31/63/812573163.db2.gz YEVKWXIGGPXLLU-LOWDOPEQSA-N 2 0 343.424 -0.310 20 0 EBADRP CCOC(=O)[C@@H]1C[C@@H]([N@@H+]2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CCN1 ZINC001246629190 812578045 /nfs/dbraw/zinc/57/80/45/812578045.db2.gz PUYJWEZJBUKZPU-DCGLDWPTSA-N 2 0 336.436 -0.918 20 0 EBADRP CCOC(=O)[C@@H]1C[C@@H]([N@@H+]2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CCN1 ZINC001246629191 812578065 /nfs/dbraw/zinc/57/80/65/812578065.db2.gz PUYJWEZJBUKZPU-GDZNZVCISA-N 2 0 336.436 -0.918 20 0 EBADRP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+]([C@H]1CCOC3(C[NH2+]C3)C1)C2 ZINC001246665571 812578962 /nfs/dbraw/zinc/57/89/62/812578962.db2.gz CHTMKDVBOCJNDJ-VAVSNJLASA-N 3 0 335.448 -0.162 20 0 EBADRP COC(=O)[C@@H]1C[C@@H]([NH+]2CCC(C(=O)N3CC[NH2+]CC3)CC2)CCN1 ZINC001246671455 812580685 /nfs/dbraw/zinc/58/06/85/812580685.db2.gz FYBNBROTKOZTTJ-GJZGRUSLSA-N 2 0 338.452 -0.576 20 0 EBADRP O=C([C@@H]1C[C@@H](N2CCO[C@H]3C[NH2+]CC[C@@H]32)C[NH2+]1)N1CCSC1 ZINC001246668585 812580863 /nfs/dbraw/zinc/58/08/63/812580863.db2.gz ZILAREPOBGPQHR-RFGFWPKPSA-N 2 0 326.466 -0.688 20 0 EBADRP O=C(c1nn([C@H]2CCNC3(C[NH2+]C3)C2)c2c1C[NH2+]CC2)N1CC=CC1 ZINC001246704434 812582040 /nfs/dbraw/zinc/58/20/40/812582040.db2.gz GLNZNSATSYAGIN-ZDUSSCGKSA-N 2 0 342.447 -0.193 20 0 EBADRP O=C(c1nn([C@H]2CCNC3(C[NH2+]C3)C2)c2c1C[NH2+]C2)N1CCOCC1 ZINC001246722828 812582861 /nfs/dbraw/zinc/58/28/61/812582861.db2.gz SHGFKOFAIGLPDD-LBPRGKRZSA-N 2 0 346.435 -0.775 20 0 EBADRP C(c1noc2c1C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2)N1CCOCC1 ZINC001246712842 812583657 /nfs/dbraw/zinc/58/36/57/812583657.db2.gz DGROKDGNSVLNJL-AWEZNQCLSA-N 2 0 347.463 -0.041 20 0 EBADRP COC(=O)C1C[C@@H]2CC(N3C[C@H]([NH3+])C[C@@H](C(=O)OC)C3)C[C@H](C1)[NH2+]2 ZINC001246797229 812588023 /nfs/dbraw/zinc/58/80/23/812588023.db2.gz NIDNPIGRIOKZLD-MBWUCKICSA-N 2 0 339.436 -0.119 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C3CCS(=O)(=O)CC3)C[C@H]1C2 ZINC001246855691 812590342 /nfs/dbraw/zinc/59/03/42/812590342.db2.gz BDHRNRMBMFWQKH-UJDVCPFMSA-N 2 0 342.461 -0.106 20 0 EBADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CN1 ZINC001246859657 812590623 /nfs/dbraw/zinc/59/06/23/812590623.db2.gz QJBQKSKBXXBKBS-LZQHRPSPSA-N 2 0 337.420 -0.780 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+]([C@@H]3CCS(=O)(=O)C3)C[C@H]1C2 ZINC001246865926 812591372 /nfs/dbraw/zinc/59/13/72/812591372.db2.gz DGOUAACAKTUANY-VVSAWPALSA-N 2 0 328.434 -0.496 20 0 EBADRP COCCN([C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)[C@@H]1CCC[NH2+]C1 ZINC001246927114 812592615 /nfs/dbraw/zinc/59/26/15/812592615.db2.gz GAMGRPWCRKMCKI-KFWWJZLASA-N 2 0 342.509 -0.050 20 0 EBADRP CCOC(=O)[C@@H]1CC[C@@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])CO1 ZINC001246924134 812592791 /nfs/dbraw/zinc/59/27/91/812592791.db2.gz GQCZXAFUEJRNRE-KGLIPLIRSA-N 3 0 344.456 -0.787 20 0 EBADRP CCN(CC)C(=O)C[C@H](C)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246925675 812593100 /nfs/dbraw/zinc/59/31/00/812593100.db2.gz OLNZWPCSWXFTFJ-AWEZNQCLSA-N 3 0 329.489 -0.251 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@@H]1CCN[C@H](C(F)(F)F)C1 ZINC001246926873 812593194 /nfs/dbraw/zinc/59/31/94/812593194.db2.gz WUVXSXWJHXAMJG-NEPJUHHUSA-N 3 0 339.406 -0.215 20 0 EBADRP COC(=O)N1CCC(N(CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001246923686 812593222 /nfs/dbraw/zinc/59/32/22/812593222.db2.gz FHKCYVUBFDSOJE-UHFFFAOYSA-N 3 0 329.445 -0.667 20 0 EBADRP CCOC(=O)[C@@H]1CC[C@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])CO1 ZINC001246924127 812593300 /nfs/dbraw/zinc/59/33/00/812593300.db2.gz GQCZXAFUEJRNRE-KBPBESRZSA-N 3 0 344.456 -0.787 20 0 EBADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21)O3 ZINC001247013862 812595708 /nfs/dbraw/zinc/59/57/08/812595708.db2.gz ZTVIOQVMNFLMAT-JEWKUQAESA-N 2 0 327.450 -0.481 20 0 EBADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@@H]1CCC[C@]12CC[NH2+]C2)O3 ZINC001247012953 812596118 /nfs/dbraw/zinc/59/61/18/812596118.db2.gz VJJFWGFQONCRJJ-QMIVOQANSA-N 2 0 327.450 -0.337 20 0 EBADRP [NH3+]CCN1CCN(Cc2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)CC1 ZINC001248204496 812604376 /nfs/dbraw/zinc/60/43/76/812604376.db2.gz GZBJBPIMJLIZLN-UHFFFAOYSA-N 2 0 343.435 -0.146 20 0 EBADRP C[NH+]1CCN(C2CC[NH+](C3CCN(C[C@H](O)CO)CC3)CC2)CC1 ZINC001252063314 812646050 /nfs/dbraw/zinc/64/60/50/812646050.db2.gz VSQHZMBNZDSUEP-SFHVURJKSA-N 2 0 340.512 -0.484 20 0 EBADRP C[N@H+](CCO)CCC[NH2+]C[C@@H](O)COc1ccc(CCO)cc1 ZINC001253168689 812674590 /nfs/dbraw/zinc/67/45/90/812674590.db2.gz CFMXZLWCQHGCOY-MRXNPFEDSA-N 2 0 326.437 -0.135 20 0 EBADRP C[N@H+](CCO)CCC[NH2+]C[C@H](O)COc1ccc(CCO)cc1 ZINC001253168685 812674761 /nfs/dbraw/zinc/67/47/61/812674761.db2.gz CFMXZLWCQHGCOY-INIZCTEOSA-N 2 0 326.437 -0.135 20 0 EBADRP CN1CCC[C@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C1 ZINC001255475309 812714448 /nfs/dbraw/zinc/71/44/48/812714448.db2.gz NXGKBGPYQRTFPZ-INIZCTEOSA-N 2 0 333.473 -0.305 20 0 EBADRP [NH3+]CCN(CC[NH2+]C1CCN(C(=O)C(F)(F)F)CC1)N(O)N=O ZINC001255977614 812724005 /nfs/dbraw/zinc/72/40/05/812724005.db2.gz QCWVWYMJGRRTAK-UHFFFAOYSA-N 2 0 342.322 -0.322 20 0 EBADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@H](C)CC(=O)N2CCOCC2)O1 ZINC001256326296 812730178 /nfs/dbraw/zinc/73/01/78/812730178.db2.gz LIDCDUWNWNZEPA-KQTLUZQSSA-N 2 0 329.441 -0.062 20 0 EBADRP CC(C)C[NH+]1CCC([NH2+]CCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)CC1 ZINC001258012488 812776981 /nfs/dbraw/zinc/77/69/81/812776981.db2.gz XLMOPLGMJORZME-BYHHXJKWSA-N 2 0 346.468 -0.460 20 0 EBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC001261818291 812991353 /nfs/dbraw/zinc/99/13/53/812991353.db2.gz SKTRVVIMVUGLKN-CQSZACIVSA-N 2 0 348.403 -0.710 20 0 EBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC001261818731 812991547 /nfs/dbraw/zinc/99/15/47/812991547.db2.gz GMMJGTTZHFDDHI-UHFFFAOYSA-N 2 0 326.441 -0.401 20 0 EBADRP C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC001262222534 813049394 /nfs/dbraw/zinc/04/93/94/813049394.db2.gz VJHSCAYTMKMNEZ-HNNXBMFYSA-N 2 0 338.452 -0.434 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001081504355 813091627 /nfs/dbraw/zinc/09/16/27/813091627.db2.gz ZODWXGMHQSPDCK-HUUCEWRRSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001081505314 813092799 /nfs/dbraw/zinc/09/27/99/813092799.db2.gz DOIJZEYECWUQKC-LSDHHAIUSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081505254 813092952 /nfs/dbraw/zinc/09/29/52/813092952.db2.gz CZQZGFIESXBFBY-ZIAGYGMSSA-N 2 0 328.457 -0.785 20 0 EBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001262593741 813098014 /nfs/dbraw/zinc/09/80/14/813098014.db2.gz BRBMVIAKUHLTNA-MRXNPFEDSA-N 2 0 329.489 -0.326 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CCO1 ZINC001263161528 813109260 /nfs/dbraw/zinc/10/92/60/813109260.db2.gz IFPWKENXRRBIOA-LSDHHAIUSA-N 2 0 340.468 -0.247 20 0 EBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC001263777068 813117080 /nfs/dbraw/zinc/11/70/80/813117080.db2.gz ZKKUKPAPPJXKMC-HZPDHXFCSA-N 2 0 337.512 -0.093 20 0 EBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC001263777067 813117396 /nfs/dbraw/zinc/11/73/96/813117396.db2.gz ZKKUKPAPPJXKMC-HOTGVXAUSA-N 2 0 337.512 -0.093 20 0 EBADRP C/C(=C\C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC001263807234 813119866 /nfs/dbraw/zinc/11/98/66/813119866.db2.gz WSIIQSIYQBFFDW-BZSAHZRXSA-N 2 0 346.475 -0.027 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081553094 813165278 /nfs/dbraw/zinc/16/52/78/813165278.db2.gz FLUJYDPLSBLBSL-HUUCEWRRSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CC(=O)NC(=O)NC ZINC001265127475 813242976 /nfs/dbraw/zinc/24/29/76/813242976.db2.gz BWHKUXTZVFCXGZ-ZDUSSCGKSA-N 2 0 341.456 -0.246 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)C[NH+](CC)CC)C[C@@H]1O ZINC001081634328 813334611 /nfs/dbraw/zinc/33/46/11/813334611.db2.gz GDJOUVPLGCTSIQ-GJZGRUSLSA-N 2 0 342.484 -0.395 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)CC)C[C@@H]1O ZINC001081634316 813334841 /nfs/dbraw/zinc/33/48/41/813334841.db2.gz GAWFSCLQELLFEU-GJZGRUSLSA-N 2 0 342.484 -0.395 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001265590685 813345509 /nfs/dbraw/zinc/34/55/09/813345509.db2.gz FONLXOWIFBCPGK-CYBMUJFWSA-N 2 0 339.440 -0.682 20 0 EBADRP O=C(N1CCC[C@H](C[NH2+]CCOCCO)C1)C12CC[NH+](CC1)C2 ZINC001265629961 813352018 /nfs/dbraw/zinc/35/20/18/813352018.db2.gz IIJATNQQLOXHAI-OAHLLOKOSA-N 2 0 325.453 -0.081 20 0 EBADRP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCCN1C(=O)CNC1=O ZINC001265790266 813371816 /nfs/dbraw/zinc/37/18/16/813371816.db2.gz JPMKJWZSNBJSAR-STQMWFEESA-N 2 0 339.440 -0.493 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)CC(=O)NC(=O)NC)CC[N@@H+]1C ZINC001265851899 813386233 /nfs/dbraw/zinc/38/62/33/813386233.db2.gz VPZNRKXMZVCQLS-QWHCGFSZSA-N 2 0 341.456 -0.390 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NCCC[N@H+](C)[C@@H]2CCNC2=O)cn1 ZINC001265936820 813420664 /nfs/dbraw/zinc/42/06/64/813420664.db2.gz ILZNMTWLLLEQHM-CQSZACIVSA-N 2 0 336.440 -0.615 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001265947552 813423574 /nfs/dbraw/zinc/42/35/74/813423574.db2.gz PFHMFRPRLWCHGJ-ZDUSSCGKSA-N 2 0 339.440 -0.541 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001265989075 813434224 /nfs/dbraw/zinc/43/42/24/813434224.db2.gz AZHPOMQDDVKUIV-CABCVRRESA-N 2 0 337.468 -0.066 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081700763 813438534 /nfs/dbraw/zinc/43/85/34/813438534.db2.gz LAYKAGUSJSKNPA-GJZGRUSLSA-N 2 0 342.484 -0.395 20 0 EBADRP C[NH+](C)CCCCC(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001081732166 813486762 /nfs/dbraw/zinc/48/67/62/813486762.db2.gz DNQATCPZBIGQIC-HUUCEWRRSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081733587 813490221 /nfs/dbraw/zinc/49/02/21/813490221.db2.gz WCVNNPSEMAHJPJ-UONOGXRCSA-N 2 0 328.457 -0.785 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081736653 813494595 /nfs/dbraw/zinc/49/45/95/813494595.db2.gz YQUCNMFPJOIGDQ-KGLIPLIRSA-N 2 0 328.457 -0.786 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1O ZINC001081736013 813494624 /nfs/dbraw/zinc/49/46/24/813494624.db2.gz SAUPNUXZWJXEEI-HIFRSBDPSA-N 2 0 340.468 -0.642 20 0 EBADRP Cn1cc(CN2CC[NH+](CCCNC(=O)CC[NH+](C)C)CC2)cn1 ZINC001266271191 813502489 /nfs/dbraw/zinc/50/24/89/813502489.db2.gz IKIKGCRXDRVYCY-UHFFFAOYSA-N 2 0 336.484 -0.004 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C2CC2)CCC1 ZINC001266411619 813561216 /nfs/dbraw/zinc/56/12/16/813561216.db2.gz APYJCRBBFWWSIT-QWHCGFSZSA-N 2 0 336.436 -0.240 20 0 EBADRP CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)CCN1C(=O)CCC1=O ZINC001266413467 813562100 /nfs/dbraw/zinc/56/21/00/813562100.db2.gz OEDGXQOYKIBMLP-UHFFFAOYSA-N 2 0 338.452 -0.085 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+]1CCN1C(=O)CNC1=O ZINC001266495193 813584382 /nfs/dbraw/zinc/58/43/82/813584382.db2.gz IPKBKTULVAIJMO-ZDUSSCGKSA-N 2 0 337.424 -0.785 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001266674470 813638162 /nfs/dbraw/zinc/63/81/62/813638162.db2.gz YWRWFWMQRIHFKY-QLFBSQMISA-N 2 0 326.441 -0.530 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)CC1 ZINC001266707897 813646889 /nfs/dbraw/zinc/64/68/89/813646889.db2.gz IAYNCGNJULQVAD-TXEJJXNPSA-N 2 0 337.424 -0.883 20 0 EBADRP CN(CC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C(=O)C1([NH+](C)C)CCC1 ZINC001266724177 813651667 /nfs/dbraw/zinc/65/16/67/813651667.db2.gz HCDNVBRYSHJSCE-ZDUSSCGKSA-N 2 0 331.482 -0.047 20 0 EBADRP CN(CC[NH2+]CCNS(C)(=O)=O)C(=O)C12CCC[NH+](CCC1)C2 ZINC001266738328 813655843 /nfs/dbraw/zinc/65/58/43/813655843.db2.gz GOGKREGRNWSZKT-UHFFFAOYSA-N 2 0 346.497 -0.540 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001266756865 813663911 /nfs/dbraw/zinc/66/39/11/813663911.db2.gz DDJICSZYSCZKKQ-ZIAGYGMSSA-N 2 0 338.452 -0.040 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N(C)CC[NH2+]CCN(C)S(C)(=O)=O)CC[N@@H+]1C ZINC001266814914 813676822 /nfs/dbraw/zinc/67/68/22/813676822.db2.gz ADZFFNBAYHLMSN-KBPBESRZSA-N 2 0 348.513 -0.344 20 0 EBADRP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCNS(C)(=O)=O)[NH+](C)C ZINC001266877345 813689434 /nfs/dbraw/zinc/68/94/34/813689434.db2.gz DCCDSEXOUDVKQU-KGLIPLIRSA-N 2 0 348.513 -0.154 20 0 EBADRP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CCN1C(=O)CNC1=O ZINC001266975718 813715849 /nfs/dbraw/zinc/71/58/49/813715849.db2.gz PPQROGWBKNLMCK-LBPRGKRZSA-N 2 0 339.440 -0.636 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@H](C(=O)NCC[NH2+]CCO)C1)[NH+](C)C ZINC001267001831 813728160 /nfs/dbraw/zinc/72/81/60/813728160.db2.gz BJYDQVHTEXMZOZ-UONOGXRCSA-N 2 0 328.457 -0.737 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H](C(=O)NCC[NH2+]CCO)C2)C1 ZINC001267002645 813730206 /nfs/dbraw/zinc/73/02/06/813730206.db2.gz QIYSALSOFWBTGB-GJZGRUSLSA-N 2 0 340.468 -0.735 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001267048757 813746171 /nfs/dbraw/zinc/74/61/71/813746171.db2.gz ZQPKGDNCXONHIP-UONOGXRCSA-N 2 0 331.482 -0.047 20 0 EBADRP CC(C)[C@@H](C(=O)N(C)CC[NH2+][C@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001267474305 813910875 /nfs/dbraw/zinc/91/08/75/813910875.db2.gz PEUZYBNORPGERZ-ZFWWWQNUSA-N 2 0 338.452 -0.040 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H]1CCC(=O)NC1=O ZINC001267537932 813924611 /nfs/dbraw/zinc/92/46/11/813924611.db2.gz OHDIYVQJAMBXLC-HZSPNIEDSA-N 2 0 336.436 -0.193 20 0 EBADRP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001267729140 814010782 /nfs/dbraw/zinc/01/07/82/814010782.db2.gz WOYFGIBUJUGZMO-STQMWFEESA-N 2 0 339.440 -0.541 20 0 EBADRP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001267749937 814023656 /nfs/dbraw/zinc/02/36/56/814023656.db2.gz WOYFGIBUJUGZMO-OLZOCXBDSA-N 2 0 339.440 -0.541 20 0 EBADRP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCN1C(=O)CNC1=O ZINC001267816755 814047892 /nfs/dbraw/zinc/04/78/92/814047892.db2.gz YKSHWBRTAJLTMG-NWDGAFQWSA-N 2 0 325.413 -0.883 20 0 EBADRP Cn1nnnc1C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267900585 814066068 /nfs/dbraw/zinc/06/60/68/814066068.db2.gz ZZCXCUPRBNBIJA-UONOGXRCSA-N 2 0 335.456 -0.120 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC(CC[NH2+]CC(=O)NC(N)=O)CC1 ZINC001267916891 814068607 /nfs/dbraw/zinc/06/86/07/814068607.db2.gz OBSOQLSCSHOVSY-UHFFFAOYSA-N 2 0 341.456 -0.259 20 0 EBADRP C[C@@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268092153 814122681 /nfs/dbraw/zinc/12/26/81/814122681.db2.gz BLCXGDLTQBOIBL-STQMWFEESA-N 2 0 334.486 -0.686 20 0 EBADRP C[C@H](CC[NH2+]CC(=O)N(C)C)NC(=O)COC1CC[NH+](C)CC1 ZINC001268411508 814235777 /nfs/dbraw/zinc/23/57/77/814235777.db2.gz NCSQQWFTMLOBTC-CYBMUJFWSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@H]([NH2+]C/C=C\CNC(=O)COC1CC[NH+](C)CC1)C(=O)N(C)C ZINC001268606997 814315798 /nfs/dbraw/zinc/31/57/98/814315798.db2.gz RUKWWHCSZOKZLG-GXMNPTEKSA-N 2 0 340.468 -0.164 20 0 EBADRP C[C@H]([NH2+]C/C=C\CNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001268614248 814319190 /nfs/dbraw/zinc/31/91/90/814319190.db2.gz UWAOABXGEQTQLD-RRNNCXACSA-N 2 0 325.413 -0.826 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCN1C(=O)CNC1=O ZINC001268688682 814352394 /nfs/dbraw/zinc/35/23/94/814352394.db2.gz GGEZYDJVMWHRPN-STQMWFEESA-N 2 0 339.440 -0.493 20 0 EBADRP C[C@H](C[N@H+](C)CCN1C(=O)CNC1=O)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001268731805 814367028 /nfs/dbraw/zinc/36/70/28/814367028.db2.gz QHZDCVDFGUWHSG-JHJVBQTASA-N 2 0 339.440 -0.685 20 0 EBADRP C[C@H](C[N@H+](C)CCN1C(=O)CNC1=O)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001268736989 814370293 /nfs/dbraw/zinc/37/02/93/814370293.db2.gz XLUAIIYWHYUZQV-OLZOCXBDSA-N 2 0 339.440 -0.541 20 0 EBADRP CN(CCC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001268792671 814387598 /nfs/dbraw/zinc/38/75/98/814387598.db2.gz AOQMLLMSRWSBTA-ZDUSSCGKSA-N 2 0 336.440 -0.612 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001268868246 814421816 /nfs/dbraw/zinc/42/18/16/814421816.db2.gz DGIYLWBRTMDDBX-UHFFFAOYSA-N 2 0 341.456 -0.388 20 0 EBADRP Cc1nccn1CCCC(=O)NCC1CN([C@H]2CCC(=O)NC2=O)C1 ZINC001268887698 814429557 /nfs/dbraw/zinc/42/95/57/814429557.db2.gz DQUMTLWSSIKTDO-AWEZNQCLSA-N 2 0 347.419 -0.175 20 0 EBADRP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)CC[NH+]1CCCC1)C2 ZINC001269518025 814716783 /nfs/dbraw/zinc/71/67/83/814716783.db2.gz NVTYBKZKICNGAK-UHFFFAOYSA-N 2 0 338.452 -0.526 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2O)CC1 ZINC001083750283 814754478 /nfs/dbraw/zinc/75/44/78/814754478.db2.gz NXUCGCAFKMROFT-CVEARBPZSA-N 2 0 325.453 -0.084 20 0 EBADRP O=C(N1CCC[C@@H]1C[NH2+]CCN1CCNC1=O)C12CC[NH+](CC1)C2 ZINC001270166613 815705762 /nfs/dbraw/zinc/70/57/62/815705762.db2.gz YBMBCFLBHPEYCE-CQSZACIVSA-N 2 0 335.452 -0.312 20 0 EBADRP Cn1cc(CC[N@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@@H](O)C2)cn1 ZINC001083953950 815736648 /nfs/dbraw/zinc/73/66/48/815736648.db2.gz DTENDUCADAGTSL-BMFZPTHFSA-N 2 0 335.452 -0.534 20 0 EBADRP Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083958328 815740526 /nfs/dbraw/zinc/74/05/26/815740526.db2.gz ASLJKVFWMVKKCT-CABCVRRESA-N 2 0 333.436 -0.780 20 0 EBADRP CN(CC[NH2+]C[C@H]1CCCN1C(=O)Cn1ccnc1)S(C)(=O)=O ZINC001270316117 815749687 /nfs/dbraw/zinc/74/96/87/815749687.db2.gz RADYKNPCCHWZEQ-CYBMUJFWSA-N 2 0 343.453 -0.645 20 0 EBADRP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]CCN(C)S(C)(=O)=O ZINC001270437295 815778291 /nfs/dbraw/zinc/77/82/91/815778291.db2.gz YUEYGZUSLZKKCP-KBPBESRZSA-N 2 0 348.513 -0.296 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CCCN1C(=O)CNC1=O ZINC001270593722 815821806 /nfs/dbraw/zinc/82/18/06/815821806.db2.gz ASFNEMNOEJYPSZ-OLZOCXBDSA-N 2 0 339.440 -0.778 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@](C)(C[NH2+]CCNS(C)(=O)=O)C1 ZINC001270847439 815913298 /nfs/dbraw/zinc/91/32/98/815913298.db2.gz NBDKAJFEONZYSF-OAHLLOKOSA-N 2 0 348.513 -0.296 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001270921018 815932093 /nfs/dbraw/zinc/93/20/93/815932093.db2.gz DHFZHOIWIFQQSP-OLZOCXBDSA-N 2 0 334.486 -0.544 20 0 EBADRP CN1CCO[C@H](C(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3CCn2ccnc2)C1 ZINC001270979224 815943347 /nfs/dbraw/zinc/94/33/47/815943347.db2.gz FSPFMOGLJJNGCE-JYJNAYRXSA-N 2 0 333.436 -0.111 20 0 EBADRP C[NH+](C)CCN1CC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C2)C1=O ZINC001271086289 815979833 /nfs/dbraw/zinc/97/98/33/815979833.db2.gz JRVGZRRTQNCGGQ-RHSMWYFYSA-N 2 0 338.452 -0.934 20 0 EBADRP C[C@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)C[NH+]1CCCC1 ZINC001271206914 816034482 /nfs/dbraw/zinc/03/44/82/816034482.db2.gz KWVKZFYWVONCSX-GFCCVEGCSA-N 2 0 325.413 -0.930 20 0 EBADRP C[C@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)C[NH+]1CCCC1 ZINC001271206834 816035050 /nfs/dbraw/zinc/03/50/50/816035050.db2.gz INZCGFYGZPQSJG-CYBMUJFWSA-N 2 0 334.486 -0.590 20 0 EBADRP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@](O)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001271210970 816036953 /nfs/dbraw/zinc/03/69/53/816036953.db2.gz UZRNZBOPSGRCNC-YOEHRIQHSA-N 2 0 342.484 -0.252 20 0 EBADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O)C12CC[NH+](CC1)C2 ZINC001085395565 816046444 /nfs/dbraw/zinc/04/64/44/816046444.db2.gz RJIDLYUIUGQKIX-MGPQQGTHSA-N 2 0 348.447 -0.096 20 0 EBADRP C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@H]4CCC[NH+](C)C4)CC3)[C@H]2C1 ZINC001271519418 816132411 /nfs/dbraw/zinc/13/24/11/816132411.db2.gz JORYDRJQNGIDEU-KKUMJFAQSA-N 2 0 334.464 -0.003 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001086046314 816213858 /nfs/dbraw/zinc/21/38/58/816213858.db2.gz SYTOZADPFGPNSD-QLFBSQMISA-N 2 0 338.452 -0.576 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1)C(N)=O ZINC001086150926 816249827 /nfs/dbraw/zinc/24/98/27/816249827.db2.gz GZANVVRYXUFKOP-QETRGOJESA-N 2 0 336.436 -0.792 20 0 EBADRP C[NH+](C)CCN1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H](C1)O2 ZINC001271939454 816259323 /nfs/dbraw/zinc/25/93/23/816259323.db2.gz FTKBSROELYHIQV-IXDOHACOSA-N 2 0 336.480 -0.199 20 0 EBADRP O=C(NC[C@@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)C12CC[NH+](CC1)C2 ZINC001086254593 816279283 /nfs/dbraw/zinc/27/92/83/816279283.db2.gz ISNSPLFFNCEIFU-OKILXGFUSA-N 2 0 348.447 -0.284 20 0 EBADRP Cn1ncnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001086373291 816311536 /nfs/dbraw/zinc/31/15/36/816311536.db2.gz RZSNBMSAMDOMBA-KBUPBQIOSA-N 2 0 348.451 -0.337 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086402609 816321474 /nfs/dbraw/zinc/32/14/74/816321474.db2.gz ZHJKDOJXBJWYDK-KKUMJFAQSA-N 2 0 337.468 -0.020 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]CC(=O)NC2CC2)CC[N@@H+]1C ZINC001272168201 816336069 /nfs/dbraw/zinc/33/60/69/816336069.db2.gz HMFJQGPYFBYTPW-TZMCWYRMSA-N 2 0 326.441 -0.984 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1)C(N)=O ZINC001086502825 816356395 /nfs/dbraw/zinc/35/63/95/816356395.db2.gz PQBICCRVMPPCPE-OBJOEFQTSA-N 2 0 336.440 -0.584 20 0 EBADRP O=C(NC[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001086534642 816365669 /nfs/dbraw/zinc/36/56/69/816365669.db2.gz RVBKCHICCAEVRH-JHJVBQTASA-N 2 0 334.420 -0.628 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N(CCO)CC[NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001272307112 816392349 /nfs/dbraw/zinc/39/23/49/816392349.db2.gz LEVKMAWEXDIRAO-LSDHHAIUSA-N 2 0 340.468 -0.735 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCNC(=O)NC(C)(C)C ZINC001272378450 816415349 /nfs/dbraw/zinc/41/53/49/816415349.db2.gz CIXPFLAEWGXXPL-OLZOCXBDSA-N 2 0 343.472 -0.755 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]CCCN2CCCC2=O)CC[N@@H+]1C ZINC001272425646 816426997 /nfs/dbraw/zinc/42/69/97/816426997.db2.gz OWEPFOUYONXTSD-RBSFLKMASA-N 2 0 340.468 -0.594 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](CC[NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001272641830 816499642 /nfs/dbraw/zinc/49/96/42/816499642.db2.gz PCMKISBLVYOQIU-KBPBESRZSA-N 2 0 346.497 -0.685 20 0 EBADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](CCN3CCOCC3)C2)OCC1=O ZINC001272662009 816501935 /nfs/dbraw/zinc/50/19/35/816501935.db2.gz UMORICFZFPTQPD-KRWDZBQOSA-N 2 0 340.468 -0.817 20 0 EBADRP C[C@@H](CC[NH2+]Cc1ccn(C)c(=O)c1)NC(=O)[C@H]1CN(C)CCO1 ZINC001272704021 816508845 /nfs/dbraw/zinc/50/88/45/816508845.db2.gz PDKIOBSMBRDNAD-DZGCQCFKSA-N 2 0 336.436 -0.300 20 0 EBADRP C[C@@H](CC[NH2+]CCNS(C)(=O)=O)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001272781233 816523154 /nfs/dbraw/zinc/52/31/54/816523154.db2.gz GPZUPROFBJUSGK-JSGCOSHPSA-N 2 0 346.497 -0.638 20 0 EBADRP COC(C[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1)OC ZINC001272860692 816540240 /nfs/dbraw/zinc/54/02/40/816540240.db2.gz FLOLYROYHRDBMB-MRXNPFEDSA-N 2 0 329.441 -0.282 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001272889685 816549108 /nfs/dbraw/zinc/54/91/08/816549108.db2.gz OIGZSDGNCCCFGO-GFCCVEGCSA-N 2 0 339.440 -0.445 20 0 EBADRP COCCOCN1C[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273030534 816571155 /nfs/dbraw/zinc/57/11/55/816571155.db2.gz NWIBQUVAHCSADU-KRWDZBQOSA-N 2 0 341.452 -0.090 20 0 EBADRP CN(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@@H](O)C1)CC2 ZINC001273069945 816579797 /nfs/dbraw/zinc/57/97/97/816579797.db2.gz NQIMJTIJVHSVSM-MRXNPFEDSA-N 2 0 338.496 -0.071 20 0 EBADRP CCN(CC[NH2+]CCN1CCNC1=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001273553736 816695998 /nfs/dbraw/zinc/69/59/98/816695998.db2.gz ABMQFOWXOWMRAX-AWEZNQCLSA-N 2 0 325.457 -0.066 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC001089040224 816788113 /nfs/dbraw/zinc/78/81/13/816788113.db2.gz HAWYVHOYPYTHBK-OAGGEKHMSA-N 2 0 335.452 -0.081 20 0 EBADRP COC(=O)CC[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273966279 816825236 /nfs/dbraw/zinc/82/52/36/816825236.db2.gz RMVBLIFCTNWLGL-MRXNPFEDSA-N 2 0 327.425 -0.338 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C/C[NH2+]CC(=O)NC(N)=O ZINC001274104263 816869871 /nfs/dbraw/zinc/86/98/71/816869871.db2.gz AZULXDGHBHCCAJ-QAVQXKDTSA-N 2 0 325.413 -0.682 20 0 EBADRP CC[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)N1CCO[C@@H](C)C1)[NH+](C)C ZINC001274124943 816873342 /nfs/dbraw/zinc/87/33/42/816873342.db2.gz LPIDSXMODIOZJM-NHQLZKDQSA-N 2 0 340.468 -0.164 20 0 EBADRP C[NH+](C)CCN1CC[C@@]2(CC[N@H+](Cc3c[nH]c(=O)[nH]c3=O)C2)C1=O ZINC001274174754 816886473 /nfs/dbraw/zinc/88/64/73/816886473.db2.gz PYPBVVAOZDHHBZ-MRXNPFEDSA-N 2 0 335.408 -0.126 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)C1(C[NH+](C)C)CC1 ZINC001274318285 816930198 /nfs/dbraw/zinc/93/01/98/816930198.db2.gz NIDZRXDHHUVJEQ-SNAWJCMRSA-N 2 0 325.413 -0.954 20 0 EBADRP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001089908223 816936924 /nfs/dbraw/zinc/93/69/24/816936924.db2.gz RJCFEFVCMXSAJD-JJXSEGSLSA-N 2 0 334.464 -0.003 20 0 EBADRP CCOCCC[NH2+]CC1(O)CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC001274511764 816988504 /nfs/dbraw/zinc/98/85/04/816988504.db2.gz XXVSHZOWBGJORD-OAHLLOKOSA-N 2 0 343.468 -0.313 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001274518961 816989786 /nfs/dbraw/zinc/98/97/86/816989786.db2.gz MEISWDGGPWQBTN-FWWRYZNZSA-N 2 0 327.429 -0.710 20 0 EBADRP CNC(=O)C[NH2+]CC1(O)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001274573242 817018524 /nfs/dbraw/zinc/01/85/24/817018524.db2.gz SHTWLDAMOFYJQT-UHFFFAOYSA-N 2 0 328.457 -0.593 20 0 EBADRP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090306750 817241251 /nfs/dbraw/zinc/24/12/51/817241251.db2.gz LGBRHDQMGFUQFT-OLZOCXBDSA-N 2 0 327.450 -0.033 20 0 EBADRP Cn1cc(C[NH+]2CCC3(CN(CC[NH+](C)C)C3)CC2)c(=O)n(C)c1=O ZINC001276321560 817385313 /nfs/dbraw/zinc/38/53/13/817385313.db2.gz MMKRUFMZJXSIFI-UHFFFAOYSA-N 2 0 349.479 -0.457 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CCC[NH2+][C@@H]1CCCNC1=O ZINC001276387193 817394876 /nfs/dbraw/zinc/39/48/76/817394876.db2.gz YGPHDCQZFFJUEZ-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCN1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3cn[nH]c3)C[C@H]12 ZINC001276463332 817409434 /nfs/dbraw/zinc/40/94/34/817409434.db2.gz KFAJRCWRMROJBO-HZPDHXFCSA-N 2 0 346.479 -0.016 20 0 EBADRP C[NH+](C)CCc1ccccc1C(=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090451477 817426691 /nfs/dbraw/zinc/42/66/91/817426691.db2.gz GSIIBHQARMIWHY-IRXDYDNUSA-N 2 0 335.448 -0.052 20 0 EBADRP O=C(C1=CNN2C=CNC=C12)N1C[C@H]2C[C@@H](C1)[N@H+]2CC1CC[NH2+]CC1 ZINC001276709538 817458017 /nfs/dbraw/zinc/45/80/17/817458017.db2.gz MINBSQVBZZRFDC-GASCZTMLSA-N 2 0 342.447 -0.109 20 0 EBADRP Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090537369 817519183 /nfs/dbraw/zinc/51/91/83/817519183.db2.gz KBOKHLYAXXXNOP-DLBZAZTESA-N 2 0 349.479 -0.144 20 0 EBADRP CN1CCC[C@@H]([N@H+](C)CCOCCNC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001277542591 817596239 /nfs/dbraw/zinc/59/62/39/817596239.db2.gz VWDJRWWCILWLEI-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP CN1CCC[C@H]([N@H+](C)CCOCCNC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001277542588 817596702 /nfs/dbraw/zinc/59/67/02/817596702.db2.gz VWDJRWWCILWLEI-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP CNC(=O)CN1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001090642468 817606172 /nfs/dbraw/zinc/60/61/72/817606172.db2.gz XANOVJGIEZBRBW-CVEARBPZSA-N 2 0 348.447 -0.341 20 0 EBADRP CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CCN(c4c[nH+]cn4C)CC3)[C@H]2C1 ZINC001277769399 817634097 /nfs/dbraw/zinc/63/40/97/817634097.db2.gz BCIOGSCXMJOQSS-GJZGRUSLSA-N 2 0 346.479 -0.002 20 0 EBADRP C[NH+]1CCC(C[N@H+]2C[C@@H]3C(C(=O)NCC4COC4)=NO[C@@H]3C2)CC1 ZINC001277796877 817636302 /nfs/dbraw/zinc/63/63/02/817636302.db2.gz LOXWYQQKJXLGKE-LSDHHAIUSA-N 2 0 336.436 -0.223 20 0 EBADRP C[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](Cc3cn[nH]c3)C[C@@H]12 ZINC001277957761 817663228 /nfs/dbraw/zinc/66/32/28/817663228.db2.gz CYDBQANZEYGQOR-SNPRPXQTSA-N 2 0 333.436 -0.197 20 0 EBADRP C[NH+](C)CCCCC(=O)N1C[C@H]([NH2+]CC(=O)NC(N)=O)C(C)(C)C1 ZINC001278684994 817794535 /nfs/dbraw/zinc/79/45/35/817794535.db2.gz PPNJAEKJKYWGDP-LBPRGKRZSA-N 2 0 341.456 -0.260 20 0 EBADRP NC(=O)C[NH2+]C1CC(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001091135461 817902195 /nfs/dbraw/zinc/90/21/95/817902195.db2.gz YUAZHWFQRCDLAV-UHFFFAOYSA-N 2 0 328.376 -0.149 20 0 EBADRP CCNC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001279736763 817978943 /nfs/dbraw/zinc/97/89/43/817978943.db2.gz FQOZLEPXXMTPRE-GJZGRUSLSA-N 2 0 340.468 -0.450 20 0 EBADRP CC(C)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001279809930 817989098 /nfs/dbraw/zinc/98/90/98/817989098.db2.gz MHNVDJIGCZHIOT-GJZGRUSLSA-N 2 0 342.484 -0.348 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N(CCO)CC[NH2+]CC(=O)N2CCCC2)C1 ZINC001279886743 818001503 /nfs/dbraw/zinc/00/15/03/818001503.db2.gz UNXRNAJNQGLDND-OAHLLOKOSA-N 2 0 340.468 -0.639 20 0 EBADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001094165552 818164467 /nfs/dbraw/zinc/16/44/67/818164467.db2.gz QXPYQGWBWSVLRY-HZSPNIEDSA-N 2 0 335.456 -0.264 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001283121302 818662675 /nfs/dbraw/zinc/66/26/75/818662675.db2.gz CGLPVRHIHLQTAZ-LSDHHAIUSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCNC(=O)COC1CC[NH+](C)CC1 ZINC001283150664 818678028 /nfs/dbraw/zinc/67/80/28/818678028.db2.gz NPCSGFFUVPEMSE-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP CN1CC[C@H]([NH2+]CCCOCCNC(=O)[C@H]2CCCC[N@@H+]2C)C1=O ZINC001283472999 818822460 /nfs/dbraw/zinc/82/24/60/818822460.db2.gz QYCXGVBTXXMDDX-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O)[NH+](C)C ZINC001283617653 818882524 /nfs/dbraw/zinc/88/25/24/818882524.db2.gz JXBCAAMKXATLPU-OCCSQVGLSA-N 2 0 341.456 -0.439 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001283862450 819005689 /nfs/dbraw/zinc/00/56/89/819005689.db2.gz IXVHJLGHYXXJOY-ZIAGYGMSSA-N 2 0 326.441 -0.767 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC([N@H+](CCO)CC(N)=O)CC1 ZINC001098384398 819163143 /nfs/dbraw/zinc/16/31/43/819163143.db2.gz SYAGNKMUTHPTLE-CQSZACIVSA-N 2 0 346.447 -0.563 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC([NH+](CCO)CC(N)=O)CC1 ZINC001098396124 819169267 /nfs/dbraw/zinc/16/92/67/819169267.db2.gz QMHBXVLYWJXTFS-CQSZACIVSA-N 2 0 340.468 -0.369 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C(C)(C)C1 ZINC001284325907 819185434 /nfs/dbraw/zinc/18/54/34/819185434.db2.gz VXEATXNCXLCBGD-LBPRGKRZSA-N 2 0 339.440 -0.684 20 0 EBADRP CC(C)NC(=O)C[N@H+](CCO)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001098467530 819204606 /nfs/dbraw/zinc/20/46/06/819204606.db2.gz HUSSPOJTAXRXIH-UHFFFAOYSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC([NH+](CCO)C[C@H](O)COC)CC1 ZINC001098524323 819230180 /nfs/dbraw/zinc/23/01/80/819230180.db2.gz HRVQIXVHOXJXAQ-INIZCTEOSA-N 2 0 345.484 -0.379 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC([N@H+](CCO)CC(N)=O)CC1 ZINC001098570564 819249764 /nfs/dbraw/zinc/24/97/64/819249764.db2.gz DBAZAZFFLJVETE-ZIAGYGMSSA-N 2 0 340.468 -0.370 20 0 EBADRP CC(=O)NCCOCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001284750937 819347354 /nfs/dbraw/zinc/34/73/54/819347354.db2.gz NEUPFXSMJSYCQB-GPANFISMSA-N 2 0 340.468 -0.188 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H](n2cc(C[NH2+]C[C@H](C)O)nn2)C1 ZINC001098751531 819352924 /nfs/dbraw/zinc/35/29/24/819352924.db2.gz OENLOQHQFFGBJG-DZGCQCFKSA-N 2 0 338.456 -0.136 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](n2cc(C[NH2+]C[C@@H](C)O)nn2)C1 ZINC001098762543 819357479 /nfs/dbraw/zinc/35/74/79/819357479.db2.gz NOQXFURWQMCCTN-UKRRQHHQSA-N 2 0 338.456 -0.136 20 0 EBADRP Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@H](O)C2)cn1 ZINC001099871406 819805257 /nfs/dbraw/zinc/80/52/57/819805257.db2.gz CVNYPGOHJUTWHU-HZPDHXFCSA-N 2 0 349.479 -0.002 20 0 EBADRP Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)cn1 ZINC001099880338 819824375 /nfs/dbraw/zinc/82/43/75/819824375.db2.gz YQKBDIAAHNVSLD-IRXDYDNUSA-N 2 0 349.479 -0.002 20 0 EBADRP Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C2)cn1 ZINC001099973432 819978323 /nfs/dbraw/zinc/97/83/23/819978323.db2.gz CUPNZIZSTWYQAZ-JKSUJKDBSA-N 2 0 337.468 -0.144 20 0 EBADRP C[N@H+](CCc1ccccc1)CC(=O)N[C@@H]1CC[NH+](CCO)C[C@H]1O ZINC001100013226 820038449 /nfs/dbraw/zinc/03/84/49/820038449.db2.gz JKEZIAYEPATLBT-IAGOWNOFSA-N 2 0 335.448 -0.295 20 0 EBADRP COCCCCC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100075143 820168145 /nfs/dbraw/zinc/16/81/45/820168145.db2.gz ZAJPLSZMLLZWTH-CVEARBPZSA-N 2 0 345.484 -0.067 20 0 EBADRP CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076584 820171351 /nfs/dbraw/zinc/17/13/51/820171351.db2.gz NOZNBQMYKAITTF-JKSUJKDBSA-N 2 0 345.484 -0.069 20 0 EBADRP CC(C)COCC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076771 820172376 /nfs/dbraw/zinc/17/23/76/820172376.db2.gz QZOZDVXXSXJSSW-HZPDHXFCSA-N 2 0 345.484 -0.211 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@H+](CCOC2CCC2)C[C@H]1O ZINC001100076851 820172905 /nfs/dbraw/zinc/17/29/05/820172905.db2.gz SOPRWCSYBBXHAF-HZPDHXFCSA-N 2 0 343.468 -0.315 20 0 EBADRP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O ZINC001100081493 820180580 /nfs/dbraw/zinc/18/05/80/820180580.db2.gz TVEVCWWREHNHRR-HUUCEWRRSA-N 2 0 331.457 -0.721 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCOCCOC)C[C@H]1O ZINC001100082342 820180865 /nfs/dbraw/zinc/18/08/65/820180865.db2.gz ALCGBQNDRRXVHQ-HUUCEWRRSA-N 2 0 331.457 -0.457 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCn2cncn2)C[C@H]1O ZINC001100083580 820185473 /nfs/dbraw/zinc/18/54/73/820185473.db2.gz UIAZJIUQKAYCFQ-LSDHHAIUSA-N 2 0 338.456 -0.439 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001100185857 820307066 /nfs/dbraw/zinc/30/70/66/820307066.db2.gz QHRGQDYRUAVZKR-MCIGGMRASA-N 2 0 325.413 -0.979 20 0 EBADRP C[N@H+](CC(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1)C1CCC1 ZINC001100411496 820408304 /nfs/dbraw/zinc/40/83/04/820408304.db2.gz BYVJISFDFAOTFG-UHFFFAOYSA-N 2 0 346.497 -0.496 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1CC([NH2+]CCOCCNC(C)=O)C1 ZINC001100770990 820547547 /nfs/dbraw/zinc/54/75/47/820547547.db2.gz SZYXMTFYNFZYRN-UHFFFAOYSA-N 2 0 342.484 -0.035 20 0 EBADRP CCn1ncc(C[NH2+]C2CC(CNC(=O)COCC[NH+](C)C)C2)n1 ZINC001100870977 820585117 /nfs/dbraw/zinc/58/51/17/820585117.db2.gz VCCKWBFXYBUXCG-UHFFFAOYSA-N 2 0 338.456 -0.139 20 0 EBADRP C[C@@H]([NH2+]C1CC(CNC(=O)CCCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001100887948 820591757 /nfs/dbraw/zinc/59/17/57/820591757.db2.gz YJFXDURQLIELRY-PNESKVBLSA-N 2 0 341.456 -0.214 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1 ZINC001100904672 820595924 /nfs/dbraw/zinc/59/59/24/820595924.db2.gz ANESQICCMPVFAE-UHFFFAOYSA-N 2 0 334.486 -0.638 20 0 EBADRP O=C(C[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1)Nc1cnccn1 ZINC001100984424 820632619 /nfs/dbraw/zinc/63/26/19/820632619.db2.gz KEEAKYSWAOGIQI-UHFFFAOYSA-N 2 0 346.435 -0.005 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100984363 820633398 /nfs/dbraw/zinc/63/33/98/820633398.db2.gz GZYATBSIXXIGAE-HIFPTAJRSA-N 2 0 339.440 -0.589 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101172033 820709503 /nfs/dbraw/zinc/70/95/03/820709503.db2.gz SXLRQBNRBBBFOX-WQGACYEGSA-N 2 0 337.424 -0.944 20 0 EBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292411 821060835 /nfs/dbraw/zinc/06/08/35/821060835.db2.gz MDLMZNWOIDVPJO-VXGBXAGGSA-N 2 0 327.429 -0.793 20 0 EBADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102489085 821125066 /nfs/dbraw/zinc/12/50/66/821125066.db2.gz SOHJIPPPPUDWEU-ZIAGYGMSSA-N 2 0 340.468 -0.473 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105243089 821642480 /nfs/dbraw/zinc/64/24/80/821642480.db2.gz UTQSINOPPGJVPY-INIZCTEOSA-N 2 0 348.451 -0.525 20 0 EBADRP C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)C3(C[NH+](C)C)CC3)C2)nn1 ZINC001105313914 821687487 /nfs/dbraw/zinc/68/74/87/821687487.db2.gz JVZGWXRVMLDUKL-LBPRGKRZSA-N 2 0 336.440 -0.526 20 0 EBADRP O=C(NC[C@H]1C[C@H]([NH2+]CCOCCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001316630606 821821780 /nfs/dbraw/zinc/82/17/80/821821780.db2.gz ZBJBGUOLYKCEMN-FVQBIDKESA-N 2 0 325.453 -0.179 20 0 EBADRP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)[C@@H](C)C(=O)NC(N)=O ZINC001316897946 821909502 /nfs/dbraw/zinc/90/95/02/821909502.db2.gz ANNWSOWNAVSLBL-NWDGAFQWSA-N 2 0 327.429 -0.508 20 0 EBADRP C[N@H+](CC(=O)NC[C@H]([NH2+][C@@H]1CCC(=O)NC1=O)C1CC1)C1CCC1 ZINC001317016290 821974716 /nfs/dbraw/zinc/97/47/16/821974716.db2.gz LIZZSRPXWIXMSM-KGLIPLIRSA-N 2 0 336.436 -0.240 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[C@H]([NH2+]CCOCCO)C1 ZINC001317060660 821989716 /nfs/dbraw/zinc/98/97/16/821989716.db2.gz GPDWWMDLLJDGEN-HNNXBMFYSA-N 2 0 343.468 -0.456 20 0 EBADRP CC1CC[NH+](CC(=O)N[C@H]2C[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CC1 ZINC001317122155 822010241 /nfs/dbraw/zinc/01/02/41/822010241.db2.gz GMMXQUBKWBERLK-OKILXGFUSA-N 2 0 346.497 -0.496 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001317186011 822030894 /nfs/dbraw/zinc/03/08/94/822030894.db2.gz ZCFMWSWOFMTCLE-KBPBESRZSA-N 2 0 346.497 -0.400 20 0 EBADRP CN(CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1)S(C)(=O)=O ZINC001317313645 822079793 /nfs/dbraw/zinc/07/97/93/822079793.db2.gz RNVLMZGDKPVQHR-KGLIPLIRSA-N 2 0 346.497 -0.590 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+](CCN2C(=O)CCC2=O)C1 ZINC001317532591 822147463 /nfs/dbraw/zinc/14/74/63/822147463.db2.gz MAIZWUVVCGPGPG-CQSZACIVSA-N 2 0 338.452 -0.085 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001317654528 822192935 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OKYAXXRIGACGIB-RBSFLKMASA-N 2 0 342.484 -0.275 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001128527859 828470333 /nfs/dbraw/zinc/47/03/33/828470333.db2.gz DKTSWAYPBGBFCD-NEPJUHHUSA-N 2 0 347.435 -0.394 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001128527862 828470358 /nfs/dbraw/zinc/47/03/58/828470358.db2.gz DKTSWAYPBGBFCD-VXGBXAGGSA-N 2 0 347.435 -0.394 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001128534447 828471066 /nfs/dbraw/zinc/47/10/66/828471066.db2.gz YAMVLCRAOGZBKV-UONOGXRCSA-N 2 0 346.447 -0.333 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001128545185 828473073 /nfs/dbraw/zinc/47/30/73/828473073.db2.gz VRJUVEVINDWJTB-GHMZBOCLSA-N 2 0 333.408 -0.784 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NCC ZINC001128774142 828524986 /nfs/dbraw/zinc/52/49/86/828524986.db2.gz MUUMMVUTDOPYII-CHWSQXEVSA-N 2 0 341.456 -0.199 20 0 EBADRP O=C(C[NH+]1CCCC1)NCc1cn(C2C[NH+](C[C@H]3CCOC3)C2)nn1 ZINC001107236482 823821870 /nfs/dbraw/zinc/82/18/70/823821870.db2.gz YBZAHFFMLRGYAR-CQSZACIVSA-N 2 0 348.451 -0.117 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129328521 828597849 /nfs/dbraw/zinc/59/78/49/828597849.db2.gz QGJWJYNXJPSUJN-JKSUJKDBSA-N 2 0 345.484 -0.306 20 0 EBADRP C[NH+](C)C1(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)CCC1 ZINC001129363548 828604495 /nfs/dbraw/zinc/60/44/95/828604495.db2.gz JJMAQCJKIGUIHO-ZDUSSCGKSA-N 2 0 326.441 -0.671 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)N1CCC1 ZINC001129363584 828604622 /nfs/dbraw/zinc/60/46/22/828604622.db2.gz KACDEBFODYZCIJ-OAHLLOKOSA-N 2 0 338.452 -0.432 20 0 EBADRP C[NH+](C)C1(C(=O)NCC[NH2+]C[C@@H](O)COC2CCOCC2)CCC1 ZINC001129363895 828605838 /nfs/dbraw/zinc/60/58/38/828605838.db2.gz MBHLIVUNBUEMGR-CQSZACIVSA-N 2 0 343.468 -0.267 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C2([NH+](C)C)CCC2)C[C@H](C)O1 ZINC001129364645 828606108 /nfs/dbraw/zinc/60/61/08/828606108.db2.gz YVFSIWIETANOJE-OKILXGFUSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)C(=O)N(C)C ZINC001129364312 828606190 /nfs/dbraw/zinc/60/61/90/828606190.db2.gz RWAGRYSHKHQBDT-ZFWWWQNUSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129397316 828613025 /nfs/dbraw/zinc/61/30/25/828613025.db2.gz SVWUIPTYLMLTAO-ZNMIVQPWSA-N 2 0 338.456 -0.268 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001129421687 828615461 /nfs/dbraw/zinc/61/54/61/828615461.db2.gz BQSBYVAILMJSPN-CHWSQXEVSA-N 2 0 341.456 -0.201 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(=O)NC(N)=O ZINC001129418945 828616043 /nfs/dbraw/zinc/61/60/43/828616043.db2.gz YTRQFAUBXXMQRR-YPMHNXCESA-N 2 0 339.440 -0.317 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001129423929 828617772 /nfs/dbraw/zinc/61/77/72/828617772.db2.gz YKHVYXSXIRPQJC-CVEARBPZSA-N 2 0 345.484 -0.021 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129435136 828618102 /nfs/dbraw/zinc/61/81/02/828618102.db2.gz BTVLOJUJVVWLLY-CYBMUJFWSA-N 2 0 327.429 -0.732 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C)C(=O)Nc1ncccn1 ZINC001129436195 828618714 /nfs/dbraw/zinc/61/87/14/828618714.db2.gz NEUKTKFYRIGXKD-YPMHNXCESA-N 2 0 334.424 -0.150 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]CC(=O)Nc1nncs1)C1CC1 ZINC001129435945 828618792 /nfs/dbraw/zinc/61/87/92/828618792.db2.gz KIBVMVJGTVLNNS-NSHDSACASA-N 2 0 326.426 -0.477 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CCO1 ZINC001129442473 828620403 /nfs/dbraw/zinc/62/04/03/828620403.db2.gz AMSXRKQBTJWNKT-SWLSCSKDSA-N 2 0 326.441 -0.720 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C[N@H+](C)C1CCC1)C(=O)NC[C@H]1CCCO1 ZINC001129535358 828632008 /nfs/dbraw/zinc/63/20/08/828632008.db2.gz OGNWBDWICSHOOP-UKRRQHHQSA-N 2 0 340.468 -0.140 20 0 EBADRP 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/nfs/dbraw/zinc/68/00/43/828680043.db2.gz FEAQWFZPCCLDQD-HNNXBMFYSA-N 2 0 328.457 -0.281 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001129841994 828680169 /nfs/dbraw/zinc/68/01/69/828680169.db2.gz RLKQKRQJOXRAJG-GJZGRUSLSA-N 2 0 340.468 -0.450 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001129841942 828680446 /nfs/dbraw/zinc/68/04/46/828680446.db2.gz RERPXECAIQQZPU-CABCVRRESA-N 2 0 340.468 -0.281 20 0 EBADRP COCC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129892195 828689389 /nfs/dbraw/zinc/68/93/89/828689389.db2.gz LULZINKXDPIVLN-ILXRZTDVSA-N 2 0 336.440 -0.394 20 0 EBADRP Cn1cncc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992110 828709009 /nfs/dbraw/zinc/70/90/09/828709009.db2.gz LHVJJACLUIYNHK-CABCVRRESA-N 2 0 346.439 -0.495 20 0 EBADRP C[NH+](C)CCOCC(=O)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001130086199 828730076 /nfs/dbraw/zinc/73/00/76/828730076.db2.gz PGQSFXKEKQZDPN-KGLIPLIRSA-N 2 0 342.419 -0.443 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)C1 ZINC001130086402 828730839 /nfs/dbraw/zinc/73/08/39/828730839.db2.gz ZPHWXYSYXJWFAT-KFWWJZLASA-N 2 0 336.440 -0.656 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NCC(C)C)[NH+](C)C ZINC001130200827 828754370 /nfs/dbraw/zinc/75/43/70/828754370.db2.gz OGSFFZKWOOIAOU-QWHCGFSZSA-N 2 0 343.472 -0.097 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130187535 828750114 /nfs/dbraw/zinc/75/01/14/828750114.db2.gz XNKNXAQHDPLOFD-OLZOCXBDSA-N 2 0 339.440 -0.445 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130189007 828751604 /nfs/dbraw/zinc/75/16/04/828751604.db2.gz LOSSEPZMBBTBAH-ZIAGYGMSSA-N 2 0 346.497 -0.352 20 0 EBADRP O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130188801 828752283 /nfs/dbraw/zinc/75/22/83/828752283.db2.gz KBLZKNJGTXXOLL-CHWSQXEVSA-N 2 0 337.424 -0.739 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)[NH+](C)C ZINC001130205547 828755878 /nfs/dbraw/zinc/75/58/78/828755878.db2.gz OKXXWFIESBEDIY-LLVKDONJSA-N 2 0 329.445 -0.343 20 0 EBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130230904 828761391 /nfs/dbraw/zinc/76/13/91/828761391.db2.gz ZHWQCADVBKHBRV-UHFFFAOYSA-N 2 0 342.484 -0.081 20 0 EBADRP CC(C)(C)NC(=O)C[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130230604 828761824 /nfs/dbraw/zinc/76/18/24/828761824.db2.gz ORBNYNKQWOJQEI-UHFFFAOYSA-N 2 0 342.484 -0.035 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130305860 828777849 /nfs/dbraw/zinc/77/78/49/828777849.db2.gz NCIRZRWKOWDXAW-KGLIPLIRSA-N 2 0 328.457 -0.282 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]C[C@@H](O)CO[C@H](C)COC ZINC001130425011 828830591 /nfs/dbraw/zinc/83/05/91/828830591.db2.gz KAZGKVRBSFATEL-ZIAGYGMSSA-N 2 0 333.473 -0.165 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CC(=O)NC(=O)NCC(C)C ZINC001130427143 828832401 /nfs/dbraw/zinc/83/24/01/828832401.db2.gz JYKJVAAKQPENIC-UHFFFAOYSA-N 2 0 343.472 -0.096 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001211091784 837385214 /nfs/dbraw/zinc/38/52/14/837385214.db2.gz OQMVBGYHEBCFGD-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP CC[C@@H](C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)[NH+](C)C ZINC001179609082 832993004 /nfs/dbraw/zinc/99/30/04/832993004.db2.gz FUZZEQRERMQEHO-LBPRGKRZSA-N 2 0 329.445 -0.212 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H]1C ZINC001179766042 833009418 /nfs/dbraw/zinc/00/94/18/833009418.db2.gz MEIQQAHHDLLGQA-STQMWFEESA-N 2 0 339.440 -0.541 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCOCCO)C[C@H]21 ZINC001114368379 826222225 /nfs/dbraw/zinc/22/22/25/826222225.db2.gz KVLSAWFSLRRVGO-XUWVNRHRSA-N 2 0 325.453 -0.084 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114746611 826332191 /nfs/dbraw/zinc/33/21/91/826332191.db2.gz VSBJXIOCVVRJJE-CIQGVGRVSA-N 2 0 339.440 -0.781 20 0 EBADRP COCCOC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778156 826340238 /nfs/dbraw/zinc/34/02/38/826340238.db2.gz FWKYFRZOOVNJOH-NYTXWWLZSA-N 2 0 329.441 -0.992 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCN(C)S(C)(=O)=O)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001180124651 833045162 /nfs/dbraw/zinc/04/51/62/833045162.db2.gz LBXVACFHKBATRF-MJBXVCDLSA-N 2 0 346.497 -0.592 20 0 EBADRP COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124235 833045445 /nfs/dbraw/zinc/04/54/45/833045445.db2.gz GKZBUQKVGWQFEQ-KKUMJFAQSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125868 826428264 /nfs/dbraw/zinc/42/82/64/826428264.db2.gz DDXSXOMVTXXZMJ-YYWXWVFPSA-N 2 0 338.452 -0.722 20 0 EBADRP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125866 826428376 /nfs/dbraw/zinc/42/83/76/826428376.db2.gz DDXSXOMVTXXZMJ-UYHMYPTGSA-N 2 0 338.452 -0.722 20 0 EBADRP COCCOC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115241120 826466082 /nfs/dbraw/zinc/46/60/82/826466082.db2.gz CAPSZWPHLUKPCR-AIANPOQGSA-N 2 0 341.452 -0.848 20 0 EBADRP C[C@H]([NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001180264487 833066000 /nfs/dbraw/zinc/06/60/00/833066000.db2.gz GDTJTJNVMVVZHC-STQMWFEESA-N 2 0 341.456 -0.212 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)C[C@H]1C[NH3+] ZINC001118265618 826893211 /nfs/dbraw/zinc/89/32/11/826893211.db2.gz UHWCYVVZCCXDHR-APIJFGDWSA-N 2 0 340.468 -0.202 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)C[C@H]1C[NH3+] ZINC001118265620 826893402 /nfs/dbraw/zinc/89/34/02/826893402.db2.gz UHWCYVVZCCXDHR-KBUPBQIOSA-N 2 0 340.468 -0.202 20 0 EBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001118488060 826939882 /nfs/dbraw/zinc/93/98/82/826939882.db2.gz YXOWMAOCZRIVDK-OCCSQVGLSA-N 2 0 326.441 -0.672 20 0 EBADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001118553595 826958726 /nfs/dbraw/zinc/95/87/26/826958726.db2.gz VHBKEBQNQBBVML-CQSZACIVSA-N 2 0 340.468 -0.201 20 0 EBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119427426 827108524 /nfs/dbraw/zinc/10/85/24/827108524.db2.gz PNSXVQJZRGUWSQ-HDJSIYSDSA-N 2 0 339.484 -0.676 20 0 EBADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@H]2CCOC)CC1 ZINC001120417227 827214541 /nfs/dbraw/zinc/21/45/41/827214541.db2.gz AWYHSEQOOYAXIA-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001120446121 827224464 /nfs/dbraw/zinc/22/44/64/827224464.db2.gz VWSAFJXPCCYHJO-HUUCEWRRSA-N 3 0 341.500 -0.700 20 0 EBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1=O ZINC001121921682 827482425 /nfs/dbraw/zinc/48/24/25/827482425.db2.gz SSYTWNQTFJARAN-SOUVJXGZSA-N 2 0 338.452 -0.759 20 0 EBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1=O ZINC001121921684 827482888 /nfs/dbraw/zinc/48/28/88/827482888.db2.gz SSYTWNQTFJARAN-ZNMIVQPWSA-N 2 0 338.452 -0.759 20 0 EBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CC[NH+](C3CCOCC3)CC2)C1=O ZINC001122003980 827501111 /nfs/dbraw/zinc/50/11/11/827501111.db2.gz YKVGXWDSPGVKCD-OAHLLOKOSA-N 2 0 338.452 -0.493 20 0 EBADRP COC(=O)C1CC[NH+](CCCNC(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001122033650 827507614 /nfs/dbraw/zinc/50/76/14/827507614.db2.gz ZQADTDQOKQMNGG-QGZVFWFLSA-N 2 0 341.452 -0.118 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001124878812 827972068 /nfs/dbraw/zinc/97/20/68/827972068.db2.gz OUCFVMJJOKDTCB-NSHDSACASA-N 2 0 327.429 -0.589 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCCOc1ccccc1 ZINC001124878094 827972358 /nfs/dbraw/zinc/97/23/58/827972358.db2.gz LLRZCGBRQAUGPJ-INIZCTEOSA-N 2 0 348.447 -0.018 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001124877277 827972663 /nfs/dbraw/zinc/97/26/63/827972663.db2.gz FAZNEGDNEAEULN-QWHCGFSZSA-N 2 0 332.470 -0.932 20 0 EBADRP CN(C(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C)c1nccs1 ZINC001124879809 827973088 /nfs/dbraw/zinc/97/30/88/827973088.db2.gz ZUXOFAZXTGHVQR-LLVKDONJSA-N 2 0 325.438 -0.094 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1)C1CC1 ZINC001183268304 833285133 /nfs/dbraw/zinc/28/51/33/833285133.db2.gz SUWBLQSNKLVOIN-OLZOCXBDSA-N 2 0 332.470 -0.934 20 0 EBADRP C[N@H+](CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1)C1CCC1 ZINC001183289078 833285934 /nfs/dbraw/zinc/28/59/34/833285934.db2.gz SCKZEUCNVIROKL-ZBFHGGJFSA-N 2 0 335.452 -0.081 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183437526 833290376 /nfs/dbraw/zinc/29/03/76/833290376.db2.gz XCFUZCHBGIZAAS-ZBFHGGJFSA-N 2 0 342.484 -0.084 20 0 EBADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001183611433 833296648 /nfs/dbraw/zinc/29/66/48/833296648.db2.gz OPWIIIXONHQWQL-HUUCEWRRSA-N 2 0 343.468 -0.457 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127060785 828247118 /nfs/dbraw/zinc/24/71/18/828247118.db2.gz HKAWVNVFHFVSKQ-CHWSQXEVSA-N 2 0 341.456 -0.201 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001127065580 828247185 /nfs/dbraw/zinc/24/71/85/828247185.db2.gz BPUOITKIHPQMGJ-AWEZNQCLSA-N 2 0 346.497 -0.400 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127060789 828247388 /nfs/dbraw/zinc/24/73/88/828247388.db2.gz HKAWVNVFHFVSKQ-QWHCGFSZSA-N 2 0 341.456 -0.201 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127256108 828269407 /nfs/dbraw/zinc/26/94/07/828269407.db2.gz MJRLMJQLUFDTNP-KGLIPLIRSA-N 2 0 346.497 -0.494 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127256890 828269489 /nfs/dbraw/zinc/26/94/89/828269489.db2.gz TTWABIILLCTSDQ-JKSUJKDBSA-N 2 0 340.468 -0.281 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127256886 828269613 /nfs/dbraw/zinc/26/96/13/828269613.db2.gz TTWABIILLCTSDQ-HOTGVXAUSA-N 2 0 340.468 -0.281 20 0 EBADRP O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127257519 828270183 /nfs/dbraw/zinc/27/01/83/828270183.db2.gz ZABAMIOUYGRSSL-OLZOCXBDSA-N 2 0 337.424 -0.882 20 0 EBADRP O=C(NCC[NH2+]CCN1C(=O)CCC1=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127261368 828270732 /nfs/dbraw/zinc/27/07/32/828270732.db2.gz ITTRSUAFJLOTEN-UONOGXRCSA-N 2 0 336.436 -0.284 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001183940485 833313571 /nfs/dbraw/zinc/31/35/71/833313571.db2.gz XMVNXJBJRWUWIQ-GFCCVEGCSA-N 2 0 337.424 -0.739 20 0 EBADRP CN(CC[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1)S(C)(=O)=O ZINC001127322766 828278721 /nfs/dbraw/zinc/27/87/21/828278721.db2.gz VKBJAPQJVMPLKX-UHFFFAOYSA-N 2 0 348.513 -0.152 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)NC[C@H]1CCCO1 ZINC001127474500 828297290 /nfs/dbraw/zinc/29/72/90/828297290.db2.gz MTTAOMKPEPWTFD-HUUCEWRRSA-N 2 0 338.452 -0.671 20 0 EBADRP O=C(NCC[NH2+]C[C@H]1CCCS(=O)(=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001127481054 828297815 /nfs/dbraw/zinc/29/78/15/828297815.db2.gz ODWJCEYQGNCMFH-HIFRSBDPSA-N 2 0 343.493 -0.141 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)n1 ZINC001127563376 828303751 /nfs/dbraw/zinc/30/37/51/828303751.db2.gz XMKPMLUQYZIISC-AWEZNQCLSA-N 2 0 349.439 -0.978 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)CC[N@@H+]1C ZINC001127643876 828309673 /nfs/dbraw/zinc/30/96/73/828309673.db2.gz PJVQHARFWDNCFG-MGPQQGTHSA-N 2 0 326.441 -0.815 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001127638771 828309722 /nfs/dbraw/zinc/30/97/22/828309722.db2.gz PMNVHWLWGDQDLF-MWLCHTKSSA-N 2 0 340.453 -0.169 20 0 EBADRP Cn1ccc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1=O ZINC001127778030 828324905 /nfs/dbraw/zinc/32/49/05/828324905.db2.gz CFQWJXLFTFMSOT-HUUCEWRRSA-N 2 0 334.420 -0.546 20 0 EBADRP COc1cncc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001127785767 828330118 /nfs/dbraw/zinc/33/01/18/828330118.db2.gz PVJMMDZVDDWVSK-KGLIPLIRSA-N 2 0 335.408 -0.446 20 0 EBADRP CC(C)(C)CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127784981 828330738 /nfs/dbraw/zinc/33/07/38/828330738.db2.gz CUGRVABMXPLJKC-KGLIPLIRSA-N 2 0 340.468 -0.282 20 0 EBADRP CN(CCC(=O)NCC[NH2+]CCNS(C)(=O)=O)c1cc[nH+]cc1 ZINC001130558686 828884236 /nfs/dbraw/zinc/88/42/36/828884236.db2.gz KJJDNKIXTBBJTJ-UHFFFAOYSA-N 2 0 343.453 -0.837 20 0 EBADRP Cc1c(C(=O)NCC[NH2+]CCNS(C)(=O)=O)ccc2c[nH+]cn21 ZINC001130658961 828908335 /nfs/dbraw/zinc/90/83/35/828908335.db2.gz XVJQEGXRSINSEH-UHFFFAOYSA-N 2 0 339.421 -0.489 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001130708854 828919776 /nfs/dbraw/zinc/91/97/76/828919776.db2.gz KLDQUXDSUNKFNQ-VXGBXAGGSA-N 2 0 327.429 -0.604 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001184551413 833333394 /nfs/dbraw/zinc/33/33/94/833333394.db2.gz NVPNZWWILFOIQJ-TZMCWYRMSA-N 2 0 337.424 -0.754 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130868088 828983901 /nfs/dbraw/zinc/98/39/01/828983901.db2.gz ZBOPKESUSBSGMQ-UHFFFAOYSA-N 2 0 333.392 -0.194 20 0 EBADRP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCCO ZINC001130943609 828999480 /nfs/dbraw/zinc/99/94/80/828999480.db2.gz FGRRHMLSDWGQJW-KFWWJZLASA-N 2 0 335.452 -0.219 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)C(=O)NC(N)=O ZINC001185168276 833348440 /nfs/dbraw/zinc/34/84/40/833348440.db2.gz VIHHVIRERVOMFH-QNWHQSFQSA-N 2 0 339.440 -0.509 20 0 EBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C)C(N)=O ZINC001131061847 829035883 /nfs/dbraw/zinc/03/58/83/829035883.db2.gz OIXQNBVDOKZJPW-YNEHKIRRSA-N 2 0 336.440 -0.870 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185214155 833350278 /nfs/dbraw/zinc/35/02/78/833350278.db2.gz OMYOJBQYJQMYGA-CYBMUJFWSA-N 2 0 346.497 -0.542 20 0 EBADRP COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185230440 833350453 /nfs/dbraw/zinc/35/04/53/833350453.db2.gz SICIAOOQCQFKCV-HUUCEWRRSA-N 2 0 343.468 -0.457 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185229318 833350502 /nfs/dbraw/zinc/35/05/02/833350502.db2.gz AKKBJXWBJAATOF-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001185250020 833351601 /nfs/dbraw/zinc/35/16/01/833351601.db2.gz BRSGYSNDOVYFTQ-CABCVRRESA-N 2 0 334.468 -0.351 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001131120894 829046861 /nfs/dbraw/zinc/04/68/61/829046861.db2.gz BRHOBOQLHWDGAE-ZIAGYGMSSA-N 2 0 348.451 -0.854 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cncn1C ZINC001131120966 829048169 /nfs/dbraw/zinc/04/81/69/829048169.db2.gz FVYSEPVGHQGRRZ-MGPQQGTHSA-N 2 0 348.451 -0.998 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001185266801 833353563 /nfs/dbraw/zinc/35/35/63/833353563.db2.gz GQOJWBGMCFUAIE-KKUMJFAQSA-N 2 0 339.484 -0.663 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001185550563 833361180 /nfs/dbraw/zinc/36/11/80/833361180.db2.gz UUGZGRJNNZSDOW-OLZOCXBDSA-N 2 0 341.456 -0.403 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131372622 829117468 /nfs/dbraw/zinc/11/74/68/829117468.db2.gz OVGRQPYDPUJRAV-UHFFFAOYSA-N 2 0 333.392 -0.194 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131375366 829118967 /nfs/dbraw/zinc/11/89/67/829118967.db2.gz ZRLQDFBZXXIBNA-SNVBAGLBSA-N 2 0 332.364 -0.502 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1)[NH+](C)C ZINC001185705520 833367536 /nfs/dbraw/zinc/36/75/36/833367536.db2.gz FAOIOZBWFGKQBA-CABCVRRESA-N 2 0 340.468 -0.188 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1)[NH+](C)C ZINC001185716058 833367956 /nfs/dbraw/zinc/36/79/56/833367956.db2.gz OTIMYZJTUBGBTP-TUAOUCFPSA-N 2 0 327.429 -0.639 20 0 EBADRP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131525646 829154580 /nfs/dbraw/zinc/15/45/80/829154580.db2.gz DGLCQHIWKHAUDJ-SMOJQAGNSA-N 2 0 338.452 -0.530 20 0 EBADRP COc1cncc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)n1 ZINC001131522061 829154808 /nfs/dbraw/zinc/15/48/08/829154808.db2.gz REUVALPXUYDNKE-KDJCLPLCSA-N 2 0 347.419 -0.446 20 0 EBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131521810 829154877 /nfs/dbraw/zinc/15/48/77/829154877.db2.gz IDZGDEDEXSFNJX-XOYHFGRZSA-N 2 0 338.452 -0.672 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001131555663 829158797 /nfs/dbraw/zinc/15/87/97/829158797.db2.gz QTGJWSHHCFSOTE-PBHICJAKSA-N 2 0 340.468 -0.201 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001131597057 829162361 /nfs/dbraw/zinc/16/23/61/829162361.db2.gz JEAHXFVXNVZHQI-PBHICJAKSA-N 2 0 340.468 -0.201 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790232 829217751 /nfs/dbraw/zinc/21/77/51/829217751.db2.gz JCYJQVREIDOHDX-CQSZACIVSA-N 2 0 339.440 -0.588 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790518 829217886 /nfs/dbraw/zinc/21/78/86/829217886.db2.gz OTSOSGUHOBAJSO-MRXNPFEDSA-N 2 0 340.468 -0.281 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)c1ccccc1CC[NH+](C)C)C(=O)NC(N)=O ZINC001131802122 829223818 /nfs/dbraw/zinc/22/38/18/829223818.db2.gz VBLGVYRBPAGAPD-LBPRGKRZSA-N 2 0 349.435 -0.307 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001186459390 833402587 /nfs/dbraw/zinc/40/25/87/833402587.db2.gz VGHNPXAZKKBTQY-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001186488264 833403473 /nfs/dbraw/zinc/40/34/73/833403473.db2.gz PDKTUBAGEHPOKA-CYBMUJFWSA-N 2 0 334.486 -0.590 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001186488748 833403575 /nfs/dbraw/zinc/40/35/75/833403575.db2.gz UYLBOYGHWQGHRL-CABCVRRESA-N 2 0 340.468 -0.498 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(N)=O)C3(C2)CCOCC3)C1 ZINC001186552700 833405666 /nfs/dbraw/zinc/40/56/66/833405666.db2.gz KGSRQBLWBGXWFL-ZIAGYGMSSA-N 2 0 338.452 -0.732 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001186622818 833409972 /nfs/dbraw/zinc/40/99/72/833409972.db2.gz RWYSAKRCLXXTCT-CHWSQXEVSA-N 2 0 326.441 -0.578 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001132742743 829513341 /nfs/dbraw/zinc/51/33/41/829513341.db2.gz FUIJEGMJMXKZKN-RYUDHWBXSA-N 2 0 327.429 -0.602 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001132848216 829533082 /nfs/dbraw/zinc/53/30/82/829533082.db2.gz BGNXKUIHRQHSMU-HUUCEWRRSA-N 2 0 340.468 -0.282 20 0 EBADRP CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1=O ZINC001132848504 829534476 /nfs/dbraw/zinc/53/44/76/829534476.db2.gz JERFJAVAGBWHEJ-UONOGXRCSA-N 2 0 326.441 -0.578 20 0 EBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1=O ZINC001132848503 829534845 /nfs/dbraw/zinc/53/48/45/829534845.db2.gz JERFJAVAGBWHEJ-KGLIPLIRSA-N 2 0 326.441 -0.578 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001132848714 829535409 /nfs/dbraw/zinc/53/54/09/829535409.db2.gz PNHDRLBSLLBQKZ-CQSZACIVSA-N 2 0 326.441 -0.672 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)Nc2ccon2)C1 ZINC001132853127 829537849 /nfs/dbraw/zinc/53/78/49/829537849.db2.gz XASHTKSKJCEDMU-LBPRGKRZSA-N 2 0 339.396 -0.572 20 0 EBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132859014 829540040 /nfs/dbraw/zinc/54/00/40/829540040.db2.gz SJADUYNMSRQBMM-CQSZACIVSA-N 2 0 328.457 -0.330 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886964 829544970 /nfs/dbraw/zinc/54/49/70/829544970.db2.gz XWATZDMKPKXCRZ-KBPBESRZSA-N 2 0 328.457 -0.425 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132983821 829566274 /nfs/dbraw/zinc/56/62/74/829566274.db2.gz MFKIDXDMPBPYLO-UHFFFAOYSA-N 2 0 340.424 -0.187 20 0 EBADRP C[NH+](C)CCCC(=O)NCC[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001133040500 829577961 /nfs/dbraw/zinc/57/79/61/829577961.db2.gz UBIKPCGJUQATMJ-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)CCC[NH+](C)C)C(=O)NC[C@@H]1CCCO1 ZINC001133051842 829578589 /nfs/dbraw/zinc/57/85/89/829578589.db2.gz RJGOBZLGTBMTKG-KBPBESRZSA-N 2 0 328.457 -0.282 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001133224417 829608428 /nfs/dbraw/zinc/60/84/28/829608428.db2.gz BFZOBCXLLDOSHJ-STQMWFEESA-N 2 0 341.456 -0.403 20 0 EBADRP C[C@@H]1CCN(C(=O)COCC[NH+](C)C)C[C@@H]1C[NH2+]CC(=O)N(C)C ZINC001133245454 829610445 /nfs/dbraw/zinc/61/04/45/829610445.db2.gz FFWYSIRCGPZAGL-CABCVRRESA-N 2 0 342.484 -0.273 20 0 EBADRP Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)C3CC[NH+](C)CC3)C2=O)n1 ZINC001133281703 829614988 /nfs/dbraw/zinc/61/49/88/829614988.db2.gz IKCHWVVDLCBSIK-AWEZNQCLSA-N 2 0 348.451 -0.427 20 0 EBADRP COCCS(=O)(=O)CCC[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133282076 829615041 /nfs/dbraw/zinc/61/50/41/829615041.db2.gz ZSFCXCXMXGADKG-UHFFFAOYSA-N 2 0 349.497 -0.515 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133285734 829615081 /nfs/dbraw/zinc/61/50/81/829615081.db2.gz GOABBTSRESTVFL-UHFFFAOYSA-N 2 0 341.456 -0.340 20 0 EBADRP C[NH+]1CCC(C(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F)CC1 ZINC001133287267 829616037 /nfs/dbraw/zinc/61/60/37/829616037.db2.gz DYXNSVCXGOMBNN-GFCCVEGCSA-N 2 0 341.374 -0.026 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001186817614 833430701 /nfs/dbraw/zinc/43/07/01/833430701.db2.gz ZWIHRYNJHVEKAY-NWDGAFQWSA-N 2 0 327.429 -0.637 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+]C[C@H](O)COCCOC)[NH+](CC)CC ZINC001133689578 829662084 /nfs/dbraw/zinc/66/20/84/829662084.db2.gz AGZORLIEYUUPAQ-GJZGRUSLSA-N 2 0 333.473 -0.164 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COCCOC)[NH+](CC)CC ZINC001133689576 829662141 /nfs/dbraw/zinc/66/21/41/829662141.db2.gz AGZORLIEYUUPAQ-CABCVRRESA-N 2 0 333.473 -0.164 20 0 EBADRP C[NH+]1CCN(c2ccccc2C(=O)N(CC[NH3+])S(C)(=O)=O)CC1 ZINC001186879602 833435656 /nfs/dbraw/zinc/43/56/56/833435656.db2.gz JWLWECMPBNINIZ-UHFFFAOYSA-N 2 0 340.449 -0.201 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001133819764 829679270 /nfs/dbraw/zinc/67/92/70/829679270.db2.gz NTNPKIDVHWJXFC-KBPBESRZSA-N 2 0 326.441 -0.840 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001133819975 829679687 /nfs/dbraw/zinc/67/96/87/829679687.db2.gz UIBUZOZJIIGUCO-KGLIPLIRSA-N 2 0 326.441 -0.528 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133845924 829685381 /nfs/dbraw/zinc/68/53/81/829685381.db2.gz QCODZWWFWRYILD-CYBMUJFWSA-N 2 0 341.456 -0.484 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001133862821 829688117 /nfs/dbraw/zinc/68/81/17/829688117.db2.gz GKLXOEPKNPWEAK-CHWSQXEVSA-N 2 0 334.486 -0.829 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133865466 829689145 /nfs/dbraw/zinc/68/91/45/829689145.db2.gz DILUOIFUVYDCBC-CHWSQXEVSA-N 2 0 341.456 -0.484 20 0 EBADRP C[N@H+](CC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1)CC(C)(C)C ZINC001133899371 829695159 /nfs/dbraw/zinc/69/51/59/829695159.db2.gz DSYKCGNAOZTDCB-AWEZNQCLSA-N 2 0 342.484 -0.035 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C)CCO1 ZINC001133908265 829697171 /nfs/dbraw/zinc/69/71/71/829697171.db2.gz JYGNEXSPMQDSEJ-CQSZACIVSA-N 2 0 342.484 -0.083 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)COC[C@H](C)[NH+]1CCCC1)C(=O)NC1CC1 ZINC001134021106 829713625 /nfs/dbraw/zinc/71/36/25/829713625.db2.gz RHQHKHRLNDHNRP-UONOGXRCSA-N 2 0 340.468 -0.140 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134582976 829796918 /nfs/dbraw/zinc/79/69/18/829796918.db2.gz CMDUXYDTHXEZRG-NEPJUHHUSA-N 2 0 341.456 -0.201 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001134606947 829802468 /nfs/dbraw/zinc/80/24/68/829802468.db2.gz BPCZJNLJXTVUKE-QWHCGFSZSA-N 2 0 348.513 -0.107 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134611729 829804233 /nfs/dbraw/zinc/80/42/33/829804233.db2.gz AWTQRIYPBAHNHB-VXGBXAGGSA-N 2 0 341.456 -0.201 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001134756480 829839573 /nfs/dbraw/zinc/83/95/73/829839573.db2.gz FQVDKWQPYDSEOR-JKSUJKDBSA-N 2 0 345.484 -0.019 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001134767226 829840972 /nfs/dbraw/zinc/84/09/72/829840972.db2.gz TTZOHPRQENOKHR-AWEZNQCLSA-N 2 0 348.513 -0.106 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001134767496 829841459 /nfs/dbraw/zinc/84/14/59/829841459.db2.gz ZHSZXWCSXNIPPT-CHWSQXEVSA-N 2 0 341.456 -0.201 20 0 EBADRP COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780562 829844697 /nfs/dbraw/zinc/84/46/97/829844697.db2.gz LRDIOXOZGDYSOX-ZBFHGGJFSA-N 2 0 345.484 -0.164 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001134780810 829844742 /nfs/dbraw/zinc/84/47/42/829844742.db2.gz XHABYXVYEZAJOZ-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135103227 829898298 /nfs/dbraw/zinc/89/82/98/829898298.db2.gz YBDUEGXDDHHFEU-QWHCGFSZSA-N 2 0 332.470 -0.742 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135181466 829917224 /nfs/dbraw/zinc/91/72/24/829917224.db2.gz PUJQIQZCROGYQH-NWDGAFQWSA-N 2 0 341.456 -0.071 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299034 829942363 /nfs/dbraw/zinc/94/23/63/829942363.db2.gz SMWSGXOKRVPDAC-VXGBXAGGSA-N 2 0 338.456 -0.177 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)c1ccc(C[NH+](C)C)cc1)C(=O)NC(N)=O ZINC001135336520 829947682 /nfs/dbraw/zinc/94/76/82/829947682.db2.gz ALOVOBWPOGQEEO-NSHDSACASA-N 2 0 335.408 -0.349 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)CC[NH+](C)C ZINC001135371229 829955254 /nfs/dbraw/zinc/95/52/54/829955254.db2.gz DUHNHGKZLMHYLF-RYUDHWBXSA-N 2 0 327.429 -0.637 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)[NH2+]CC(=O)N1CCOCC1 ZINC001135372912 829955280 /nfs/dbraw/zinc/95/52/80/829955280.db2.gz UFNCNFHKPUOXAJ-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135373197 829955571 /nfs/dbraw/zinc/95/55/71/829955571.db2.gz VIHOKPMXKROZJZ-KBPBESRZSA-N 2 0 330.473 -0.036 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001135513614 829979629 /nfs/dbraw/zinc/97/96/29/829979629.db2.gz SBGDMBLWBASCIN-CQSZACIVSA-N 2 0 331.457 -0.410 20 0 EBADRP CC1CC[NH+](CC(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)CC1 ZINC001135702187 830011970 /nfs/dbraw/zinc/01/19/70/830011970.db2.gz ANBPQELAJJUFMH-HNNXBMFYSA-N 2 0 340.468 -0.423 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001135706434 830014089 /nfs/dbraw/zinc/01/40/89/830014089.db2.gz UTINZUVXAGHJLU-STQMWFEESA-N 2 0 336.502 -0.250 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001135743280 830018219 /nfs/dbraw/zinc/01/82/19/830018219.db2.gz HVMWSYPNNWFMHY-NWDGAFQWSA-N 2 0 326.445 -0.177 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135767553 830021651 /nfs/dbraw/zinc/02/16/51/830021651.db2.gz FOSAQMWIEFRTIZ-CHWSQXEVSA-N 2 0 341.456 -0.214 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CC(=O)NCC1CC1)NC(=O)COCC[NH+](C)C ZINC001135924103 830047491 /nfs/dbraw/zinc/04/74/91/830047491.db2.gz QOSVQNWPRMQQPJ-UONOGXRCSA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]Cc1nncn1C)NC(=O)COCC[NH+](C)C ZINC001135924084 830047962 /nfs/dbraw/zinc/04/79/62/830047962.db2.gz PZTBDEVMHAPSDJ-STQMWFEESA-N 2 0 326.445 -0.234 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CCn1cncn1)NC(=O)COCC[NH+](C)C ZINC001135925049 830047987 /nfs/dbraw/zinc/04/79/87/830047987.db2.gz XMHHWCVPGHECAL-KBPBESRZSA-N 2 0 326.445 -0.271 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001146375998 830194963 /nfs/dbraw/zinc/19/49/63/830194963.db2.gz DHALRWFNMNQOSV-NSHDSACASA-N 2 0 327.429 -0.604 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC001211371871 837432128 /nfs/dbraw/zinc/43/21/28/837432128.db2.gz ZIFUZIMSEROIQC-CHWSQXEVSA-N 2 0 339.440 -0.685 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001146594219 830211340 /nfs/dbraw/zinc/21/13/40/830211340.db2.gz SAVBNQVKWUDLDW-RYUDHWBXSA-N 2 0 326.445 -0.179 20 0 EBADRP CC(=O)NCCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211369140 837433594 /nfs/dbraw/zinc/43/35/94/837433594.db2.gz CCYXJYAJEROFET-GDBMZVCRSA-N 2 0 342.484 -0.084 20 0 EBADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001147359310 830327383 /nfs/dbraw/zinc/32/73/83/830327383.db2.gz NYECSLVIXBAPBX-CQSZACIVSA-N 2 0 348.513 -0.104 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147582857 830367352 /nfs/dbraw/zinc/36/73/52/830367352.db2.gz FZNADRPQKVBBPO-RBSFLKMASA-N 2 0 325.453 -0.132 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147582856 830367876 /nfs/dbraw/zinc/36/78/76/830367876.db2.gz FZNADRPQKVBBPO-QLFBSQMISA-N 2 0 325.453 -0.132 20 0 EBADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001147834445 830417662 /nfs/dbraw/zinc/41/76/62/830417662.db2.gz JFFWFRDGHZRFBM-QWHCGFSZSA-N 2 0 334.486 -0.638 20 0 EBADRP Cc1csc(NC(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C)n1 ZINC001147848522 830421050 /nfs/dbraw/zinc/42/10/50/830421050.db2.gz OJLJGACSUCDVNY-UHFFFAOYSA-N 2 0 343.453 -0.326 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147877580 830425251 /nfs/dbraw/zinc/42/52/51/830425251.db2.gz MFMRUTDBRTXJIG-NEPJUHHUSA-N 2 0 327.429 -0.732 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)Nc1ncccn1 ZINC001147885866 830426478 /nfs/dbraw/zinc/42/64/78/830426478.db2.gz PXAFJGKMGIOCCO-STQMWFEESA-N 2 0 334.424 -0.149 20 0 EBADRP CN(C(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C)c1nccs1 ZINC001147893428 830427007 /nfs/dbraw/zinc/42/70/07/830427007.db2.gz PYLZXMWOTRJUBY-UHFFFAOYSA-N 2 0 343.453 -0.610 20 0 EBADRP C[C@H](NC(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C)c1ccco1 ZINC001147892998 830427251 /nfs/dbraw/zinc/42/72/51/830427251.db2.gz NFAKMSCQMFNHTJ-ZDUSSCGKSA-N 2 0 340.424 -0.259 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147891986 830427284 /nfs/dbraw/zinc/42/72/84/830427284.db2.gz GDZPKCZOVOMXKS-CYBMUJFWSA-N 2 0 341.456 -0.484 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCNC(=O)C[C@H]2CC[N@H+](C)C2)n(C)n1 ZINC001147899897 830427824 /nfs/dbraw/zinc/42/78/24/830427824.db2.gz BVIQSCZQCSWQJW-CYBMUJFWSA-N 2 0 336.440 -0.285 20 0 EBADRP CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900196 830428696 /nfs/dbraw/zinc/42/86/96/830428696.db2.gz JNASFKIDUSTFND-GJZGRUSLSA-N 2 0 342.484 -0.035 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147971302 830433400 /nfs/dbraw/zinc/43/34/00/830433400.db2.gz ZUOZPUPWSKETBR-NSHDSACASA-N 2 0 325.413 -0.978 20 0 EBADRP O=C(NCC[NH2+]C[C@@H](O)COCC(F)(F)F)C12CC[NH+](CC1)C2 ZINC001147977854 830433732 /nfs/dbraw/zinc/43/37/32/830433732.db2.gz YEHDSZHCOFBSRD-LLVKDONJSA-N 2 0 339.358 -0.272 20 0 EBADRP CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C2)[NH+](C)C ZINC001148298918 830468181 /nfs/dbraw/zinc/46/81/81/830468181.db2.gz XHRGWCGZWDNOFV-RYUDHWBXSA-N 2 0 339.440 -0.556 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)CCCC[NH+](C)C)C(=O)NC(=O)NC1CC1 ZINC001148365080 830475649 /nfs/dbraw/zinc/47/56/49/830475649.db2.gz GEQILWGZDUXULD-LBPRGKRZSA-N 2 0 341.456 -0.199 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001148570963 830510386 /nfs/dbraw/zinc/51/03/86/830510386.db2.gz PEALUEXUODSWJI-UHFFFAOYSA-N 2 0 327.429 -0.588 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CCN1CCNC1=O)C2 ZINC001148651637 830523463 /nfs/dbraw/zinc/52/34/63/830523463.db2.gz LQSPTZQTWOZKHC-UHFFFAOYSA-N 2 0 337.468 -0.112 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001148651393 830523599 /nfs/dbraw/zinc/52/35/99/830523599.db2.gz FHYXTGJVXQWDJO-CYBMUJFWSA-N 2 0 336.436 -0.332 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)CCc3cncn3C)C2)C1 ZINC001148695228 830529164 /nfs/dbraw/zinc/52/91/64/830529164.db2.gz YMBFIQUTWPWPPO-HNNXBMFYSA-N 2 0 336.436 -0.106 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CCOCCO)CCCO2)CC1 ZINC001150218236 830841424 /nfs/dbraw/zinc/84/14/24/830841424.db2.gz FJTUGHDWEDFZCK-INIZCTEOSA-N 2 0 343.468 -0.456 20 0 EBADRP COCCOCC[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240277 830846402 /nfs/dbraw/zinc/84/64/02/830846402.db2.gz DQPHQEMTMLJPHT-OAHLLOKOSA-N 2 0 331.457 -0.192 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[NH+](C[C@H](O)COC)CCCO1 ZINC001150620606 830945835 /nfs/dbraw/zinc/94/58/35/830945835.db2.gz UJEWPEBISUUMQV-GJZGRUSLSA-N 2 0 331.457 -0.457 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CCCC2)C1 ZINC001151049433 831016012 /nfs/dbraw/zinc/01/60/12/831016012.db2.gz OPIJMAPFUFQKKF-LBPRGKRZSA-N 2 0 339.440 -0.588 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@@H](O)COCc2ccco2)C1 ZINC001151064693 831020441 /nfs/dbraw/zinc/02/04/41/831020441.db2.gz DEBXQWVTVAQPMS-UONOGXRCSA-N 2 0 325.409 -0.185 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151073847 831022561 /nfs/dbraw/zinc/02/25/61/831022561.db2.gz QWKHVSTVMNCNQC-LBPRGKRZSA-N 2 0 327.429 -0.730 20 0 EBADRP CN(C(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1)c1nccs1 ZINC001151100412 831025846 /nfs/dbraw/zinc/02/58/46/831025846.db2.gz CBKLCCIUZVHWDW-UHFFFAOYSA-N 2 0 325.438 -0.093 20 0 EBADRP Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)C[NH+]3CCCC3)C2=O)n1 ZINC001151101027 831026197 /nfs/dbraw/zinc/02/61/97/831026197.db2.gz JARGNLLKBJQSMS-ZDUSSCGKSA-N 2 0 334.424 -0.673 20 0 EBADRP O=C(C[NH+]1CCCC1)NCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001151101088 831026638 /nfs/dbraw/zinc/02/66/38/831026638.db2.gz LHTQJSGMFOQBPB-CABCVRRESA-N 2 0 329.441 -0.656 20 0 EBADRP CC(C)(C)NC(=O)NC(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151100440 831026665 /nfs/dbraw/zinc/02/66/65/831026665.db2.gz DHTLKBWYQHPIOP-UHFFFAOYSA-N 2 0 327.429 -0.588 20 0 EBADRP O=C(C[NH+]1CCCC1)NCC[NH2+]C[C@H](O)COCc1ccco1 ZINC001151100736 831026707 /nfs/dbraw/zinc/02/67/07/831026707.db2.gz GDLRFVZMNNMITD-AWEZNQCLSA-N 2 0 325.409 -0.041 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001151152942 831032772 /nfs/dbraw/zinc/03/27/72/831032772.db2.gz YIUNQYRNESZNDP-AWEZNQCLSA-N 2 0 336.436 -0.441 20 0 EBADRP CC(C)N(C)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151156492 831034072 /nfs/dbraw/zinc/03/40/72/831034072.db2.gz DOWKHRAAIXEORH-GJZGRUSLSA-N 2 0 342.484 -0.084 20 0 EBADRP CCCC[C@@H]([NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1)C(N)=O ZINC001151156799 831035072 /nfs/dbraw/zinc/03/50/72/831035072.db2.gz HBBCQPRADOBRNF-UONOGXRCSA-N 2 0 328.457 -0.295 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001151157451 831035205 /nfs/dbraw/zinc/03/52/05/831035205.db2.gz LOBCORNQNAHIAM-CYBMUJFWSA-N 2 0 335.470 -0.905 20 0 EBADRP CCCC[C@H]([NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1)C(N)=O ZINC001151156798 831035523 /nfs/dbraw/zinc/03/55/23/831035523.db2.gz HBBCQPRADOBRNF-KGLIPLIRSA-N 2 0 328.457 -0.295 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]C[C@H](O)CC(F)(F)F ZINC001151160018 831035740 /nfs/dbraw/zinc/03/57/40/831035740.db2.gz WRQCUFBNDVTPID-NWDGAFQWSA-N 2 0 341.374 -0.026 20 0 EBADRP Cc1noc(CCC[NH2+]CCNC(=O)[C@H](C)C[NH+]2CCOCC2)n1 ZINC001151159262 831036848 /nfs/dbraw/zinc/03/68/48/831036848.db2.gz RHRFLYVSHBFDTH-CYBMUJFWSA-N 2 0 339.440 -0.015 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001152145966 831133698 /nfs/dbraw/zinc/13/36/98/831133698.db2.gz HFPZVDLAJGROGK-ZIAGYGMSSA-N 2 0 348.513 -0.154 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152147403 831134147 /nfs/dbraw/zinc/13/41/47/831134147.db2.gz NAGOINNJACSEBD-RYUDHWBXSA-N 2 0 327.429 -0.589 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001152136376 831134443 /nfs/dbraw/zinc/13/44/43/831134443.db2.gz BLSSKIXOSYLACS-OKILXGFUSA-N 2 0 340.468 -0.140 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001152459029 831165489 /nfs/dbraw/zinc/16/54/89/831165489.db2.gz WZZRYAKQEGRSAF-HUUCEWRRSA-N 2 0 340.468 -0.281 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)CCCC[NH+]1CCCC1 ZINC001153315079 831222664 /nfs/dbraw/zinc/22/26/64/831222664.db2.gz WUFHYGYKWMQKDV-UHFFFAOYSA-N 2 0 327.429 -0.586 20 0 EBADRP O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ccc(OCC3CC[NH2+]CC3)nn2)N1 ZINC001155582216 831415295 /nfs/dbraw/zinc/41/52/95/831415295.db2.gz ZWTXWZPGEXPOLR-WBMJQRKESA-N 2 0 332.408 -0.155 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001155802217 831431000 /nfs/dbraw/zinc/43/10/00/831431000.db2.gz INNOWKCQQNSJEG-LBPRGKRZSA-N 2 0 339.440 -0.493 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001155814722 831433245 /nfs/dbraw/zinc/43/32/45/831433245.db2.gz ZKLPFNZWLRKKKI-GFCCVEGCSA-N 2 0 325.413 -0.882 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155822490 831433751 /nfs/dbraw/zinc/43/37/51/831433751.db2.gz RZTVVJZYHRDBRO-OLZOCXBDSA-N 2 0 341.456 -0.201 20 0 EBADRP CC[N@H+](C[C@H](O)COC)[C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001156058132 831451191 /nfs/dbraw/zinc/45/11/91/831451191.db2.gz RQGRWSGYYRYREY-CABCVRRESA-N 2 0 345.484 -0.069 20 0 EBADRP CC[N@H+](CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156890640 831512834 /nfs/dbraw/zinc/51/28/34/831512834.db2.gz QYIYVEYPOBXQMP-OLZOCXBDSA-N 2 0 339.440 -0.684 20 0 EBADRP CC[N@H+](CCN(C)S(C)(=O)=O)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156889987 831513265 /nfs/dbraw/zinc/51/32/65/831513265.db2.gz GNWTYWMTICNCHS-KGLIPLIRSA-N 2 0 348.513 -0.344 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001157324066 831554100 /nfs/dbraw/zinc/55/41/00/831554100.db2.gz CLGGNZDQUBXDDV-HIFRSBDPSA-N 2 0 335.452 -0.043 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)[C@@]12C[NH2+]C[C@H]1CCN2)C(=O)N1CCCC1 ZINC001157370699 831561102 /nfs/dbraw/zinc/56/11/02/831561102.db2.gz GIGYUVNBDICHPF-JKIFEVAISA-N 2 0 337.468 -0.826 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)[C@@H]1CCC2(C[NH2+]C2)O1)C(=O)N1CCCC1 ZINC001157370417 831561146 /nfs/dbraw/zinc/56/11/46/831561146.db2.gz AOXJSOFEGXWDGX-KBPBESRZSA-N 2 0 338.452 -0.256 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)C[C@]1(O)CCC[NH2+]C1)C(=O)N1CCCC1 ZINC001157370463 831561249 /nfs/dbraw/zinc/56/12/49/831561249.db2.gz CCFRSGLKEINYNK-WMLDXEAASA-N 2 0 340.468 -0.273 20 0 EBADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]([NH3+])Cc2cncn2C)CC1 ZINC001157449372 831567471 /nfs/dbraw/zinc/56/74/71/831567471.db2.gz ZWSQBBLXYUXNOV-ZDUSSCGKSA-N 2 0 337.424 -0.437 20 0 EBADRP CS(=O)(=O)c1nc2c(c(-n3ccnc3C(N)=[NH2+])n1)CC[NH2+]CC2 ZINC001157621521 831581636 /nfs/dbraw/zinc/58/16/36/831581636.db2.gz QEJPCMWPHZQMBN-UHFFFAOYSA-N 2 0 335.393 -0.962 20 0 EBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC001157721392 831588334 /nfs/dbraw/zinc/58/83/34/831588334.db2.gz XIHQZTXOYRIVSE-GJZGRUSLSA-N 2 0 334.420 -0.881 20 0 EBADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001157842132 831597280 /nfs/dbraw/zinc/59/72/80/831597280.db2.gz JPBALMDMMJKUHA-JHJVBQTASA-N 2 0 333.440 -0.490 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071134 831624883 /nfs/dbraw/zinc/62/48/83/831624883.db2.gz WHKZLAQIVYJFIH-ZDUSSCGKSA-N 2 0 326.441 -0.543 20 0 EBADRP O=C([C@H]1[NH2+]CCC[C@H]1C(F)(F)F)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091460 831626895 /nfs/dbraw/zinc/62/68/95/831626895.db2.gz CMOFZEDMWZOPLU-CDMKHQONSA-N 2 0 334.342 -0.393 20 0 EBADRP O=C(Cc1ccc2c(c1)C[NH2+]CC2)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091644 831626932 /nfs/dbraw/zinc/62/69/32/831626932.db2.gz GHVUKEIJWGZMSQ-GOSISDBHSA-N 2 0 328.416 -0.435 20 0 EBADRP [NH3+][C@@H](Cc1c[nH]c2ncccc12)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158101664 831627932 /nfs/dbraw/zinc/62/79/32/831627932.db2.gz LDVLQAKNVXIRFP-GUYCJALGSA-N 2 0 342.403 -0.877 20 0 EBADRP O=C(c1cccc(N2CC[NH2+]CC2)c1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102391 831628127 /nfs/dbraw/zinc/62/81/27/831628127.db2.gz QWUXQYOAZJKTFD-GOSISDBHSA-N 2 0 343.431 -0.600 20 0 EBADRP O=C(c1cccnc1O[C@@H]1CC[NH2+]C1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158101256 831628343 /nfs/dbraw/zinc/62/83/43/831628343.db2.gz IKSPRGCXTMBWKO-PXAZEXFGSA-N 2 0 345.403 -0.874 20 0 EBADRP CC(C)[C@@]1(C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CCC[NH2+]C1 ZINC001158121723 831630771 /nfs/dbraw/zinc/63/07/71/831630771.db2.gz WOZVRPHIXORNLY-QZTJIDSGSA-N 2 0 334.464 -0.050 20 0 EBADRP [NH3+]C1(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)CCC2(CC1)OCCO2 ZINC001158179791 831637039 /nfs/dbraw/zinc/63/70/39/831637039.db2.gz PHCKCEPTDIFAAO-CHWSQXEVSA-N 2 0 325.409 -0.552 20 0 EBADRP O=C(c1csc(N2CC[NH2+]CC2)n1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158179739 831637045 /nfs/dbraw/zinc/63/70/45/831637045.db2.gz NCHDDDKUFJPZFB-DGCLKSJQSA-N 2 0 337.449 -0.387 20 0 EBADRP O=C([C@@H]1CCSC12C[NH2+]C2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260814 831641587 /nfs/dbraw/zinc/64/15/87/831641587.db2.gz HWGVLXGOSLUHSQ-LBPRGKRZSA-N 2 0 348.476 -0.206 20 0 EBADRP [NH3+][C@H](C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1)C1CCC(O)CC1 ZINC001158277397 831642882 /nfs/dbraw/zinc/64/28/82/831642882.db2.gz NUSAJRVNHZFIRR-PIMMBPRGSA-N 2 0 348.451 -0.423 20 0 EBADRP CCn1cc(C[NH2+]CCCNC(=O)c2ccn(CC[NH+](C)C)n2)nn1 ZINC001158288232 831643457 /nfs/dbraw/zinc/64/34/57/831643457.db2.gz SDKADAQGXBQULW-UHFFFAOYSA-N 2 0 348.455 -0.034 20 0 EBADRP O=C(c1noc2c1C[NH2+]CC2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158286524 831643792 /nfs/dbraw/zinc/64/37/92/831643792.db2.gz VSMYYMRQGJYVJB-UHFFFAOYSA-N 2 0 343.391 -0.354 20 0 EBADRP CCCNC(=O)C[NH2+]CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001158287996 831644122 /nfs/dbraw/zinc/64/41/22/831644122.db2.gz NAELOYJQDHFGGZ-UHFFFAOYSA-N 2 0 338.456 -0.320 20 0 EBADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158414816 831652763 /nfs/dbraw/zinc/65/27/63/831652763.db2.gz IITSDXDCSZXTBB-OBJOEFQTSA-N 2 0 332.408 -0.723 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC2CC2)CC[N@@H+]1C ZINC001158428640 831654674 /nfs/dbraw/zinc/65/46/74/831654674.db2.gz MESASTWNFPUNDV-DGCLKSJQSA-N 2 0 339.440 -0.589 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NCC1CC1 ZINC001158486877 831659589 /nfs/dbraw/zinc/65/95/89/831659589.db2.gz UGASJHWMMFCYFP-CABCVRRESA-N 2 0 338.452 -0.528 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCCC1 ZINC001158487193 831659959 /nfs/dbraw/zinc/65/99/59/831659959.db2.gz WOYRWDGTTWDPIR-GJZGRUSLSA-N 2 0 338.452 -0.432 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[NH2+]C[C@H]2CCO[C@H]21 ZINC001158497736 831661324 /nfs/dbraw/zinc/66/13/24/831661324.db2.gz GBSVJMUEISIZGY-ARSDKDGVSA-N 2 0 337.420 -0.637 20 0 EBADRP Cn1cc(CC[NH2+]CCCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cn1 ZINC001158506098 831662190 /nfs/dbraw/zinc/66/21/90/831662190.db2.gz GVGAHASBDBSSEJ-HZPDHXFCSA-N 2 0 335.452 -0.078 20 0 EBADRP O=C([C@H]1CNC(=O)C12CC[NH2+]CC2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158533265 831663077 /nfs/dbraw/zinc/66/30/77/831663077.db2.gz JIBPUNPHXKCVRW-HNSFDTNUSA-N 2 0 348.447 -0.918 20 0 EBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158533263 831663187 /nfs/dbraw/zinc/66/31/87/831663187.db2.gz JGVVCBHCICQKML-GUIRCDHDSA-N 2 0 342.465 -0.880 20 0 EBADRP O=C([C@@H]1C[NH2+]Cc2ccnn2C1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158534834 831663908 /nfs/dbraw/zinc/66/39/08/831663908.db2.gz UPUJKCJKEGSTOH-GKLJAUDBSA-N 2 0 331.420 -0.418 20 0 EBADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158533527 831664502 /nfs/dbraw/zinc/66/45/02/831664502.db2.gz NHLPFOTWJPINGH-LUXYFRNMSA-N 3 0 334.464 -0.160 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158579615 831667564 /nfs/dbraw/zinc/66/75/64/831667564.db2.gz VUNCJNXNCJQQKR-LPWJVIDDSA-N 2 0 327.400 -0.080 20 0 EBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158579250 831667881 /nfs/dbraw/zinc/66/78/81/831667881.db2.gz QPIOIFMHYKAAMI-LOWDOPEQSA-N 2 0 326.416 -0.140 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(c1cncc(N3CC[NH2+]CC3)n1)CC2 ZINC001158637615 831672627 /nfs/dbraw/zinc/67/26/27/831672627.db2.gz VHPLKLHXPFSWKJ-GUYCJALGSA-N 2 0 346.435 -0.382 20 0 EBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158661126 831676830 /nfs/dbraw/zinc/67/68/30/831676830.db2.gz WGCKYALUMKRBHQ-JQWIXIFHSA-N 2 0 344.375 -0.634 20 0 EBADRP CC(C)N(C(=O)[C@]12C[NH2+]C[C@@H]1CCN2)c1ncnc2c1CC[NH2+]CC2 ZINC001158759367 831683740 /nfs/dbraw/zinc/68/37/40/831683740.db2.gz NCAWKGKHVVPNKN-UGSOOPFHSA-N 2 0 344.463 -0.142 20 0 EBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)CN1CC[NH2+]CC1)CC2 ZINC001158890898 831693489 /nfs/dbraw/zinc/69/34/89/831693489.db2.gz PYAFIBCGCVIFFQ-UHFFFAOYSA-N 2 0 337.468 -0.905 20 0 EBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3N1)CC2 ZINC001158891336 831694677 /nfs/dbraw/zinc/69/46/77/831694677.db2.gz XHZUKPSIRIDFAO-SOUVJXGZSA-N 2 0 349.479 -0.861 20 0 EBADRP [NH3+]CCNCC(=O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158903049 831695127 /nfs/dbraw/zinc/69/51/27/831695127.db2.gz MBQOATRATDTSLG-WBMJQRKESA-N 2 0 337.399 -0.377 20 0 EBADRP CN(c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2)C(C)(C)C[NH3+] ZINC001159050990 831705485 /nfs/dbraw/zinc/70/54/85/831705485.db2.gz APZOEORWQGRFGY-UHFFFAOYSA-N 2 0 327.454 -0.258 20 0 EBADRP Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)C2(N)CC[NH2+]CC2)cn1 ZINC001159083891 831706249 /nfs/dbraw/zinc/70/62/49/831706249.db2.gz BFZIBHZYGFDNEL-QWHCGFSZSA-N 2 0 332.408 -0.793 20 0 EBADRP COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@@H]1CC[NH2+]1 ZINC001159078099 831706742 /nfs/dbraw/zinc/70/67/42/831706742.db2.gz UPRHAROOIKILMP-WWGRRREGSA-N 2 0 325.409 -0.397 20 0 EBADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001159132521 831709860 /nfs/dbraw/zinc/70/98/60/831709860.db2.gz AGJBWLZDHLROAV-STQMWFEESA-N 3 0 340.497 -0.578 20 0 EBADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@H]([NH3+])Cc2cnc[nH]2)C1 ZINC001159132607 831711507 /nfs/dbraw/zinc/71/15/07/831711507.db2.gz BPKIABKESYITSP-TZMCWYRMSA-N 2 0 331.424 -0.304 20 0 EBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159158093 831713604 /nfs/dbraw/zinc/71/36/04/831713604.db2.gz LLEFPAZNQCIYBJ-GJZGRUSLSA-N 2 0 332.452 -0.590 20 0 EBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@]1(C)CCC[NH2+]1)CC2 ZINC001159189689 831716584 /nfs/dbraw/zinc/71/65/84/831716584.db2.gz GBUHBHMBJMRZJL-QGZVFWFLSA-N 2 0 349.435 -0.007 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]C[C@H](O)COCCOC ZINC001159334807 831741451 /nfs/dbraw/zinc/74/14/51/831741451.db2.gz IRVMGKRGSPLSMK-JKSUJKDBSA-N 2 0 345.484 -0.019 20 0 EBADRP Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C3)n1 ZINC001159471922 831754862 /nfs/dbraw/zinc/75/48/62/831754862.db2.gz LTTQKJHIOIEYJR-DVOMOZLQSA-N 2 0 335.408 -0.569 20 0 EBADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H]1C[NH2+]CCN1)C2 ZINC001159481250 831755616 /nfs/dbraw/zinc/75/56/16/831755616.db2.gz KUIKZAYDQMQAAR-SOLBZPMBSA-N 2 0 336.480 -0.245 20 0 EBADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)C2 ZINC001159481172 831755893 /nfs/dbraw/zinc/75/58/93/831755893.db2.gz IMGJTPARWCDUOP-YFHUEUNASA-N 2 0 337.464 -0.084 20 0 EBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159664417 831770001 /nfs/dbraw/zinc/77/00/01/831770001.db2.gz DPAFOXIHNXYLMZ-QAETUUGQSA-N 2 0 345.447 -0.570 20 0 EBADRP O=C([C@@H]1C[NH2+]CCN1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666004 831770191 /nfs/dbraw/zinc/77/01/91/831770191.db2.gz NPOKSLZBMVIOIY-ZACQAIPSSA-N 2 0 345.447 -0.555 20 0 EBADRP [NH3+]CCNCC(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159666013 831770266 /nfs/dbraw/zinc/77/02/66/831770266.db2.gz NSSBHOOSALJPKJ-JKSUJKDBSA-N 2 0 333.436 -0.568 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 ZINC001159788059 831782747 /nfs/dbraw/zinc/78/27/47/831782747.db2.gz GIQAYMLHCRBVTD-LBPRGKRZSA-N 2 0 341.437 -0.612 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159862158 831788854 /nfs/dbraw/zinc/78/88/54/831788854.db2.gz XSOXZJLGAANLDP-LLVKDONJSA-N 2 0 327.429 -0.589 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159854719 831788910 /nfs/dbraw/zinc/78/89/10/831788910.db2.gz RNKZDKHYAPJIGS-UHFFFAOYSA-N 2 0 328.457 -0.281 20 0 EBADRP CN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001159869086 831791202 /nfs/dbraw/zinc/79/12/02/831791202.db2.gz SIAHJWYPLZLZGR-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159916736 831797324 /nfs/dbraw/zinc/79/73/24/831797324.db2.gz RONIGXUCGQXRNS-OAHLLOKOSA-N 2 0 328.457 -0.425 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159997037 831803235 /nfs/dbraw/zinc/80/32/35/831803235.db2.gz CBZUSDHIVGSPCT-UHFFFAOYSA-N 2 0 348.513 -0.104 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159992540 831803610 /nfs/dbraw/zinc/80/36/10/831803610.db2.gz MFCQRBHOVVXOIF-LBPRGKRZSA-N 2 0 341.456 -0.199 20 0 EBADRP C[N@H+](CC(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O)C1CCC1 ZINC001160003065 831804691 /nfs/dbraw/zinc/80/46/91/831804691.db2.gz BMEYTBAIYREJHD-UHFFFAOYSA-N 2 0 339.440 -0.492 20 0 EBADRP Cc1ccc(N(C(=O)[C@@H](N)CC[NH3+])[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160053876 831809934 /nfs/dbraw/zinc/80/99/34/831809934.db2.gz WLMYWYVWGOXDFZ-ZQIUZPCESA-N 2 0 348.451 -0.295 20 0 EBADRP Cc1ccc(N(C(=O)C[C@H](O)C[NH3+])[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160051820 831809948 /nfs/dbraw/zinc/80/99/48/831809948.db2.gz JZNMEFQCDRDNFW-JKIFEVAISA-N 2 0 349.435 -0.261 20 0 EBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@@H]2C(=O)N(c3ccsc3)C[C@@H]2C1 ZINC001160111307 831815732 /nfs/dbraw/zinc/81/57/32/831815732.db2.gz VTGUFXFERFWQIG-FPMFFAJLSA-N 2 0 346.456 -0.022 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCO[C@@]2(CCCN(C(C)=O)C2)C1 ZINC001160178627 831822619 /nfs/dbraw/zinc/82/26/19/831822619.db2.gz HXJFZEZEIHCSMR-DOTOQJQBSA-N 2 0 340.468 -0.057 20 0 EBADRP Cn1cc(N2C[C@@H]3CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C[C@@H]3C2=O)cn1 ZINC001160217982 831826243 /nfs/dbraw/zinc/82/62/43/831826243.db2.gz NUHDUJAMGRTBPX-YDHLFZDLSA-N 2 0 348.451 -0.312 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160421846 831847517 /nfs/dbraw/zinc/84/75/17/831847517.db2.gz VGKCCMQLMXMBMK-OLZOCXBDSA-N 2 0 343.472 -0.097 20 0 EBADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O)[NH+](C)C ZINC001160426413 831848447 /nfs/dbraw/zinc/84/84/47/831848447.db2.gz FLFGXMALJKEUHU-AWEZNQCLSA-N 2 0 341.456 -0.390 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160425946 831848760 /nfs/dbraw/zinc/84/87/60/831848760.db2.gz ARLYTVSHPCFWNV-RYUDHWBXSA-N 2 0 329.445 -0.487 20 0 EBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC001160432185 831850017 /nfs/dbraw/zinc/85/00/17/831850017.db2.gz NWKOWZICEDKZBP-ZDUSSCGKSA-N 2 0 334.486 -0.414 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC001160484881 831855834 /nfs/dbraw/zinc/85/58/34/831855834.db2.gz IFNIATWSIKVCOL-AWEZNQCLSA-N 2 0 327.473 -0.628 20 0 EBADRP [NH3+][C@@H](C(=O)N1CCN(CC(=O)N2CCCC2)CC1)C1CC[NH2+]CC1 ZINC001160485108 831855974 /nfs/dbraw/zinc/85/59/74/831855974.db2.gz QUBDSXAGEAMLOZ-MRXNPFEDSA-N 2 0 337.468 -0.920 20 0 EBADRP [NH3+][C@H](C(=O)N1CCN(CC(=O)N2CCCC2)CC1)C1CC[NH2+]CC1 ZINC001160485107 831856368 /nfs/dbraw/zinc/85/63/68/831856368.db2.gz QUBDSXAGEAMLOZ-INIZCTEOSA-N 2 0 337.468 -0.920 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1[C@H](C(=O)OC)CS[C@H]1C(=O)OC ZINC001160494272 831857033 /nfs/dbraw/zinc/85/70/33/831857033.db2.gz RVRYFXVYONJEGH-NHCYSSNCSA-N 2 0 347.437 -0.681 20 0 EBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)n1ccc([C@H]2CCC[NH2+]2)nc1=N ZINC001160542064 831861646 /nfs/dbraw/zinc/86/16/46/831861646.db2.gz NCEBTRBPEBIHIH-WDMOLILDSA-N 2 0 334.424 -0.083 20 0 EBADRP NC1(C(=O)N2c3ccccc3C(=O)NC23CC[NH2+]CC3)CC[NH2+]CC1 ZINC001160586121 831867140 /nfs/dbraw/zinc/86/71/40/831867140.db2.gz WZDNSBHDTYYGQY-UHFFFAOYSA-N 2 0 343.431 -0.076 20 0 EBADRP O=C([C@H]1C[NH2+]CCN1)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160589377 831867427 /nfs/dbraw/zinc/86/74/27/831867427.db2.gz QFWIEJHTAOOLMK-CYBMUJFWSA-N 2 0 329.404 -0.596 20 0 EBADRP CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCO1 ZINC001160597248 831869033 /nfs/dbraw/zinc/86/90/33/831869033.db2.gz RCXADDJDHZYXDE-STQMWFEESA-N 2 0 325.409 -0.349 20 0 EBADRP C[NH+](C)C1(C)CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001160644940 831875412 /nfs/dbraw/zinc/87/54/12/831875412.db2.gz KAZKNIKBAXTBGH-KBPBESRZSA-N 3 0 339.484 -0.404 20 0 EBADRP [NH3+][C@@H]1CCN(C(=O)c2cnn3c2nccc3[C@H]2C[NH2+]CCO2)C[C@@H]1F ZINC001160648841 831875695 /nfs/dbraw/zinc/87/56/95/831875695.db2.gz FFOJLEUOLGLSFU-OUCADQQQSA-N 2 0 348.382 -0.099 20 0 EBADRP CC1(C)CN(C2CN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)C2)CCO1 ZINC001160663051 831877757 /nfs/dbraw/zinc/87/77/57/831877757.db2.gz HLNHYJFBBGCLIX-OAHLLOKOSA-N 2 0 339.484 -0.942 20 0 EBADRP CCOC(=O)[C@H]1c2nc[nH]c2CCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160789060 831886702 /nfs/dbraw/zinc/88/67/02/831886702.db2.gz VOBDUKRPJIHOMI-GXFFZTMASA-N 2 0 333.392 -0.792 20 0 EBADRP CCOC(=O)[C@H]1c2nc[nH]c2CCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160788267 831886778 /nfs/dbraw/zinc/88/67/78/831886778.db2.gz PVOHOVDSOZIFBD-JDSLSITLSA-N 2 0 347.419 -0.402 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3C[C@@]34CC[NH2+]C4)C[C@H]1C2 ZINC001160792522 831887333 /nfs/dbraw/zinc/88/73/33/831887333.db2.gz VRWDFLCHVIDXHV-RACNXDKBSA-N 2 0 333.432 -0.157 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3C[C@@H]4CC[C@H]3[NH2+]4)C[C@H]1C2 ZINC001160792109 831887593 /nfs/dbraw/zinc/88/75/93/831887593.db2.gz PGAPEUPJXPKAQK-RDEQHMOGSA-N 2 0 333.432 -0.016 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)C[C@]3(O)CCC[NH2+]C3)C[C@H]1C[NH2+]CC2 ZINC001160811663 831888997 /nfs/dbraw/zinc/88/89/97/831888997.db2.gz SBNKLMQRRPWCEX-KBRIMQKVSA-N 2 0 339.436 -0.508 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)[C@H]([NH3+])C3CC[NH2+]CC3)C[C@H]1C[NH2+]CC2 ZINC001160812116 831889963 /nfs/dbraw/zinc/88/99/63/831889963.db2.gz GLSVPPSDAWPAAH-CKEIUWERSA-N 3 0 338.452 -0.686 20 0 EBADRP [NH3+]C1(C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)CCC2(CC1)OCCO2 ZINC001161008674 831913837 /nfs/dbraw/zinc/91/38/37/831913837.db2.gz QLPHEQOLPIFUPE-CYBMUJFWSA-N 2 0 339.436 -0.284 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001161042756 831917132 /nfs/dbraw/zinc/91/71/32/831917132.db2.gz UTVRGPKNSVYHGA-ZDUSSCGKSA-N 2 0 339.440 -0.445 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161066886 831919607 /nfs/dbraw/zinc/91/96/07/831919607.db2.gz DAWLWXBTIKUXGO-NEPJUHHUSA-N 2 0 341.437 -0.973 20 0 EBADRP O=C(N1CCN(c2ncc(O)cn2)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001161083243 831921044 /nfs/dbraw/zinc/92/10/44/831921044.db2.gz VLACVKRPBWSSCN-MLGOLLRUSA-N 2 0 332.408 -0.970 20 0 EBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)COC1(C)C ZINC001161083832 831921334 /nfs/dbraw/zinc/92/13/34/831921334.db2.gz UOOLFLLVHXRBPU-DGAVXFQQSA-N 2 0 338.452 -0.150 20 0 EBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C[C@H]21 ZINC001161085070 831921343 /nfs/dbraw/zinc/92/13/43/831921343.db2.gz MKZVGBJUZKFLFD-MELADBBJSA-N 2 0 340.468 -0.202 20 0 EBADRP CN(C(=O)[C@@H]([NH3+])CCCCNC(=O)c1ccccn1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219583 831937174 /nfs/dbraw/zinc/93/71/74/831937174.db2.gz RKBHIDNCKUODPL-KNCOVGOOSA-N 2 0 345.447 -0.015 20 0 EBADRP COc1cnc(O[C@@H]2CCN(C(=O)[C@H]([NH3+])C3CC[NH2+]CC3)C2)nc1 ZINC001161299557 831946006 /nfs/dbraw/zinc/94/60/06/831946006.db2.gz XFDKBVUVAIFEOB-TZMCWYRMSA-N 2 0 335.408 -0.208 20 0 EBADRP COc1cc(N2CCN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)CC2)ccn1 ZINC001161306571 831946362 /nfs/dbraw/zinc/94/63/62/831946362.db2.gz QSQHDFKCPWHBIP-AWEZNQCLSA-N 2 0 331.420 -0.452 20 0 EBADRP COc1cc(C)nc(N(C(=O)[C@H]([NH3+])CCC[NH3+])C2CC[NH2+]CC2)n1 ZINC001161309149 831946999 /nfs/dbraw/zinc/94/69/99/831946999.db2.gz MEOZTFDAYOJLSP-CYBMUJFWSA-N 3 0 336.440 -0.055 20 0 EBADRP [NH3+]C1CCN([C@H]2CCN(C(=O)[C@@H]3C[NH2+]Cc4ccnn4C3)C2)CC1 ZINC001161373307 831951482 /nfs/dbraw/zinc/95/14/82/831951482.db2.gz NYSNRGRJIAJBKT-CJNGLKHVSA-N 2 0 332.452 -0.374 20 0 EBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161378000 831951566 /nfs/dbraw/zinc/95/15/66/831951566.db2.gz KHWHBXVGRMYYDT-QEJZJMRPSA-N 2 0 337.468 -0.651 20 0 EBADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)CN3CCCC[C@H]([NH3+])C3=O)C2)CC1 ZINC001161377965 831951934 /nfs/dbraw/zinc/95/19/34/831951934.db2.gz JRKTVGKRRQAWMG-CABCVRRESA-N 2 0 337.468 -0.650 20 0 EBADRP [NH3+]C1CCN([C@H]2CCN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)C2)CC1 ZINC001161377556 831951948 /nfs/dbraw/zinc/95/19/48/831951948.db2.gz HORAIAAPVHUHNX-JKSUJKDBSA-N 3 0 335.496 -0.115 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412183 831954934 /nfs/dbraw/zinc/95/49/34/831954934.db2.gz HGWCMYITGODRTD-LOWDOPEQSA-N 2 0 326.441 -0.559 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)CC2 ZINC001161475972 831962121 /nfs/dbraw/zinc/96/21/21/831962121.db2.gz ABHKBVFVXGXUNJ-GRDNDAEWSA-N 3 0 340.468 -0.201 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])Cc1cncn1C)CC2 ZINC001161476278 831962712 /nfs/dbraw/zinc/96/27/12/831962712.db2.gz CJITWBNNRQQUGP-HEHGZKQESA-N 2 0 335.408 -0.957 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C[C@H]1C[NH2+]CC1(F)F)CC2 ZINC001161479427 831963747 /nfs/dbraw/zinc/96/37/47/831963747.db2.gz KUMZREKMEIFWJP-WDMOLILDSA-N 2 0 331.363 -0.015 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C[C@H]1C[C@H]3C[NH2+]C[C@H]3O1)CC2 ZINC001161480867 831964109 /nfs/dbraw/zinc/96/41/09/831964109.db2.gz VPXQEYKLQKPWNR-JQIDMEAISA-N 2 0 337.420 -0.493 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)c1noc3c1C[NH2+]CC3)CC2 ZINC001161481531 831964323 /nfs/dbraw/zinc/96/43/23/831964323.db2.gz DRZKHXZCFGOREA-LRDDRELGSA-N 2 0 334.376 -0.313 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1C[C@H](OC)CC[NH2+]1)CC2 ZINC001161482603 831964613 /nfs/dbraw/zinc/96/46/13/831964613.db2.gz WTALZSWCEJKTSK-JXFSHQFZSA-N 2 0 325.409 -0.493 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)c1ncn3c1C[NH2+]CC3)CC2 ZINC001161484142 831964896 /nfs/dbraw/zinc/96/48/96/831964896.db2.gz UGNUAIAWNPPYBL-WBMJQRKESA-N 2 0 333.392 -0.647 20 0 EBADRP CO[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CN(c2ccccc2)C3)C[C@@H]1[NH3+] ZINC001161493772 831965763 /nfs/dbraw/zinc/96/57/63/831965763.db2.gz RHKOXPNIDQWYAK-NOVWEMISSA-N 2 0 330.432 -0.103 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001161649691 831979974 /nfs/dbraw/zinc/97/99/74/831979974.db2.gz SATJMVBIYKFYND-CYBMUJFWSA-N 2 0 338.456 -0.175 20 0 EBADRP O=C(NCCC[NH2+][C@H]1CCC(=O)NC1=O)c1ccn2c[nH+]cc2c1 ZINC001161863313 831997525 /nfs/dbraw/zinc/99/75/25/831997525.db2.gz IGQZTIKBKZBPQY-ZDUSSCGKSA-N 2 0 329.360 -0.151 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001161872361 831999390 /nfs/dbraw/zinc/99/93/90/831999390.db2.gz CUUXNWCNQYKHPQ-LLVKDONJSA-N 2 0 346.391 -0.112 20 0 EBADRP O=C(NCCC[NH2+]CCOCCO)c1ccn(-c2cc[nH+]cc2)n1 ZINC001162316701 832033603 /nfs/dbraw/zinc/03/36/03/832033603.db2.gz JXNPRHJXUOPZOR-UHFFFAOYSA-N 2 0 333.392 -0.014 20 0 EBADRP Cn1ccnc1C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872317 832068421 /nfs/dbraw/zinc/06/84/21/832068421.db2.gz NWLYPFOKXDONLA-UUCFBXCCSA-N 2 0 333.436 -0.121 20 0 EBADRP Cc1cnc(N2CCC(C[NH3+])CC2)nc1N[C@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001163239704 832092466 /nfs/dbraw/zinc/09/24/66/832092466.db2.gz VPRUUVUCUAOMQR-CXAGYDPISA-N 2 0 345.451 -0.050 20 0 EBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ccc(OCC[NH+]3CCCC3)nn2)N1 ZINC001163240125 832092519 /nfs/dbraw/zinc/09/25/19/832092519.db2.gz XDXPVOZITVCLKE-LRDDRELGSA-N 2 0 332.408 -0.059 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@]1(C)CO ZINC001350199476 832130271 /nfs/dbraw/zinc/13/02/71/832130271.db2.gz FPVPDTUALXGDNL-PBHICJAKSA-N 2 0 342.484 -0.585 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001163833102 832143539 /nfs/dbraw/zinc/14/35/39/832143539.db2.gz IYTHHCIJQLPUNQ-UHFFFAOYSA-N 2 0 341.456 -0.198 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001164536047 832194797 /nfs/dbraw/zinc/19/47/97/832194797.db2.gz LKCLILVBSQAHET-HNNXBMFYSA-N 2 0 340.468 -0.282 20 0 EBADRP CNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001164596308 832200153 /nfs/dbraw/zinc/20/01/53/832200153.db2.gz DGAANNLJCKZDQB-UONOGXRCSA-N 2 0 338.452 -0.528 20 0 EBADRP c1nc2c(c(N3CCCO[C@]4(C[NH2+]CCOC4)C3)n1)CC[NH2+]CC2 ZINC001165344789 832216653 /nfs/dbraw/zinc/21/66/53/832216653.db2.gz SUQBCLSMPSWUQD-QGZVFWFLSA-N 2 0 333.436 -0.250 20 0 EBADRP C[NH+](C)CCC(=O)NCCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001165788364 832237248 /nfs/dbraw/zinc/23/72/48/832237248.db2.gz HNXJMNPAJBGWHZ-CABCVRRESA-N 2 0 331.457 -0.410 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165788808 832238124 /nfs/dbraw/zinc/23/81/24/832238124.db2.gz VERWPUDNNQQHSN-AWEZNQCLSA-N 2 0 342.484 -0.035 20 0 EBADRP C[NH+](C)CCC(=O)NCCC[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001165793820 832238451 /nfs/dbraw/zinc/23/84/51/832238451.db2.gz BKZHBIKQASWOCU-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166004733 832245979 /nfs/dbraw/zinc/24/59/79/832245979.db2.gz VGKCCMQLMXMBMK-QWHCGFSZSA-N 2 0 343.472 -0.097 20 0 EBADRP CC(C)[C@H](C(=O)NCCC[NH2+]CCN1C(=O)CCC1=O)[NH+](C)C ZINC001166010115 832246177 /nfs/dbraw/zinc/24/61/77/832246177.db2.gz HUYNHEJBTZZHPL-OAHLLOKOSA-N 2 0 326.441 -0.183 20 0 EBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC001351568729 832251948 /nfs/dbraw/zinc/25/19/48/832251948.db2.gz HFTQKOJXGLFQJQ-UHFFFAOYSA-N 2 0 326.441 -0.401 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001166667902 832278138 /nfs/dbraw/zinc/27/81/38/832278138.db2.gz KWFHQLOHCLDLEH-HUUCEWRRSA-N 2 0 340.468 -0.281 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001166676771 832278991 /nfs/dbraw/zinc/27/89/91/832278991.db2.gz CEVOYKHVHUHVFK-HUUCEWRRSA-N 2 0 340.468 -0.423 20 0 EBADRP C[N@H+](CC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O)CC(C)(C)C ZINC001166744203 832286610 /nfs/dbraw/zinc/28/66/10/832286610.db2.gz LVCJYCOUGFRZAC-UHFFFAOYSA-N 2 0 341.456 -0.388 20 0 EBADRP CC[C@@H](C(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C)[NH+](C)C ZINC001166852751 832293788 /nfs/dbraw/zinc/29/37/88/832293788.db2.gz WBNVDSSRMQVQIH-ZDUSSCGKSA-N 2 0 336.502 -0.296 20 0 EBADRP CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001166851840 832293991 /nfs/dbraw/zinc/29/39/91/832293991.db2.gz IFFUHIYUJLHWBV-AAEUAGOBSA-N 2 0 341.456 -0.201 20 0 EBADRP CS(=O)(=O)c1nc2c(c(N3C[C@@H]([NH3+])[C@@H](F)C3)n1)CC[NH2+]CC2 ZINC001166927620 832299104 /nfs/dbraw/zinc/29/91/04/832299104.db2.gz FWIIBQVTZKOUPM-VHSXEESVSA-N 2 0 329.401 -0.946 20 0 EBADRP C[C@H](COCC(=O)NCCC[NH2+]CC(=O)NC1CC1)[NH+]1CCCC1 ZINC001166931275 832300099 /nfs/dbraw/zinc/30/00/99/832300099.db2.gz UAWJESRFYNBHOY-CQSZACIVSA-N 2 0 340.468 -0.138 20 0 EBADRP C[C@H](COCC(=O)NCCC[NH2+][C@@H]1CCCNC1=O)[NH+]1CCCC1 ZINC001166931868 832300293 /nfs/dbraw/zinc/30/02/93/832300293.db2.gz XYVOYUCHWSYZGC-HUUCEWRRSA-N 2 0 340.468 -0.138 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@@H](C)O1 ZINC001352730753 832361895 /nfs/dbraw/zinc/36/18/95/832361895.db2.gz RGAVBDWGTNASIQ-MCIONIFRSA-N 2 0 328.457 -0.380 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)CC1CC[NH+](C)CC1)C(=O)NC(N)=O ZINC001167667798 832362037 /nfs/dbraw/zinc/36/20/37/832362037.db2.gz MYCVSNSLQZYGAA-LLVKDONJSA-N 2 0 327.429 -0.602 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001167835995 832377783 /nfs/dbraw/zinc/37/77/83/832377783.db2.gz NDTPWHRKQXUWHY-GFCCVEGCSA-N 2 0 341.456 -0.212 20 0 EBADRP CN1CC[C@H]([NH2+]CCCNC(=O)c2cnn(CC[NH+](C)C)c2)C1=O ZINC001168052306 832390818 /nfs/dbraw/zinc/39/08/18/832390818.db2.gz PSACYTCXZYYAEQ-AWEZNQCLSA-N 2 0 336.440 -0.615 20 0 EBADRP C[C@H]([NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1)C(=O)NC(N)=O ZINC001168146331 832398919 /nfs/dbraw/zinc/39/89/19/832398919.db2.gz FDYMKLAFYHJCDA-RYUDHWBXSA-N 2 0 339.440 -0.602 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001168153091 832399412 /nfs/dbraw/zinc/39/94/12/832399412.db2.gz ISGPZBINLAMJIK-ZDUSSCGKSA-N 2 0 326.441 -0.684 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001353324495 832421955 /nfs/dbraw/zinc/42/19/55/832421955.db2.gz RGMLCYTYFIPKJT-KKUMJFAQSA-N 2 0 340.468 -0.201 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001353324496 832422175 /nfs/dbraw/zinc/42/21/75/832422175.db2.gz RGMLCYTYFIPKJT-RBSFLKMASA-N 2 0 340.468 -0.201 20 0 EBADRP CCCCCC[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001168595172 832428051 /nfs/dbraw/zinc/42/80/51/832428051.db2.gz GJDYYFCDTBKNBB-UHFFFAOYSA-N 2 0 329.445 -0.211 20 0 EBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001353583913 832433881 /nfs/dbraw/zinc/43/38/81/832433881.db2.gz VDDBNXAMUZDGMQ-HUUCEWRRSA-N 2 0 339.484 -0.674 20 0 EBADRP C[NH+]1CCC(NC(=O)c2ccc(-n3cc(CC[NH3+])cn3)nn2)CC1 ZINC001168945964 832440945 /nfs/dbraw/zinc/44/09/45/832440945.db2.gz CFJNHBGMLZMNKN-UHFFFAOYSA-N 2 0 329.408 -0.013 20 0 EBADRP C[C@@H]1O[C@@H](OCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H](O)[C@H](O)[C@@H]1O ZINC001169125293 832449910 /nfs/dbraw/zinc/44/99/10/832449910.db2.gz YISDSGNBMWKMKK-LEEQCHMNSA-N 2 0 330.425 -0.955 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1)C(=O)NC(N)=O ZINC001169135452 832450767 /nfs/dbraw/zinc/45/07/67/832450767.db2.gz YKVBGFLKJBCTFQ-GFCCVEGCSA-N 2 0 327.429 -0.602 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)COC1CC[NH+](C)CC1)c1nnnn1C ZINC001169531413 832466485 /nfs/dbraw/zinc/46/64/85/832466485.db2.gz QMSUJMGKYFJFIA-GFCCVEGCSA-N 2 0 339.444 -0.522 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCCC[NH2+]CC(=O)N2CCC2)CC1 ZINC001169541278 832466645 /nfs/dbraw/zinc/46/66/45/832466645.db2.gz HUKKTELYZBFPJP-UHFFFAOYSA-N 2 0 326.441 -0.575 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]C[C@H](O)CO[C@@H](C)COC ZINC001170222046 832493012 /nfs/dbraw/zinc/49/30/12/832493012.db2.gz JHHWEBWOUUXNDK-GJZGRUSLSA-N 2 0 333.473 -0.164 20 0 EBADRP COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)cnc1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001170772682 832525064 /nfs/dbraw/zinc/52/50/64/832525064.db2.gz DIOVQHLAVHJMRK-PMOUVXMZSA-N 2 0 334.420 -0.142 20 0 EBADRP CC[N@H+](C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)c1ccccc1 ZINC001170868936 832530059 /nfs/dbraw/zinc/53/00/59/832530059.db2.gz XCEJWRKQVFNQLD-HNNXBMFYSA-N 2 0 349.435 -0.030 20 0 EBADRP CC[C@@H]([NH2+]C)C(=O)N1CCNCCN(C(=O)[C@@H](CC)[NH2+]C)CC1 ZINC001354902359 832532129 /nfs/dbraw/zinc/53/21/29/832532129.db2.gz COFCDCQAJRAVDY-ZIAGYGMSSA-N 2 0 327.473 -0.757 20 0 EBADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001171175066 832549388 /nfs/dbraw/zinc/54/93/88/832549388.db2.gz PNVNXDHFUZGAET-ZIAGYGMSSA-N 2 0 348.513 -0.248 20 0 EBADRP CCn1nc(C)c(C[NH2+]CCCNC(=O)COCC[NH+](C)C)n1 ZINC001171204763 832550740 /nfs/dbraw/zinc/55/07/40/832550740.db2.gz FKEMTUKLKDYIBW-UHFFFAOYSA-N 2 0 326.445 -0.219 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001171217390 832551073 /nfs/dbraw/zinc/55/10/73/832551073.db2.gz LSEPMFNUMHYNLK-ZDUSSCGKSA-N 2 0 336.440 -0.254 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)C[C@H]2CC[N@H+](C)C2)CCO1 ZINC001171227611 832552446 /nfs/dbraw/zinc/55/24/46/832552446.db2.gz QGJJHTWIMKYYBU-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001171217965 832552608 /nfs/dbraw/zinc/55/26/08/832552608.db2.gz PYQHIOCHOCWXSA-HUUCEWRRSA-N 2 0 340.468 -0.281 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001171228068 832552675 /nfs/dbraw/zinc/55/26/75/832552675.db2.gz RKKYSHPTSXBPQA-HUUCEWRRSA-N 2 0 340.468 -0.423 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171303420 832555824 /nfs/dbraw/zinc/55/58/24/832555824.db2.gz JTUNXZKCTIAKOJ-LBPRGKRZSA-N 2 0 339.440 -0.588 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001171361959 832557583 /nfs/dbraw/zinc/55/75/83/832557583.db2.gz JKMIDSSTLRWJQI-UHFFFAOYSA-N 2 0 348.407 -0.591 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)COCC[NH+](C)C)CC[N@@H+]1C ZINC001355633940 832571210 /nfs/dbraw/zinc/57/12/10/832571210.db2.gz URDSDWDOXFKYPN-ZIAGYGMSSA-N 2 0 328.457 -0.521 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001171770556 832575805 /nfs/dbraw/zinc/57/58/05/832575805.db2.gz SKFRURFBAPDXTD-UHFFFAOYSA-N 2 0 341.456 -0.246 20 0 EBADRP C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001171873669 832577663 /nfs/dbraw/zinc/57/76/63/832577663.db2.gz TULJWTVQJKBILL-ZBUZPQQSSA-N 2 0 338.452 -0.401 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001174767997 832599288 /nfs/dbraw/zinc/59/92/88/832599288.db2.gz IQWJZTMDMFUYLJ-KRWDZBQOSA-N 2 0 340.468 -0.279 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176056031 832654288 /nfs/dbraw/zinc/65/42/88/832654288.db2.gz DJWJSMWFQJBCHY-CYBMUJFWSA-N 2 0 334.486 -0.685 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]Cc2nnnn2CC(F)(F)F)C1 ZINC001176056042 832654305 /nfs/dbraw/zinc/65/43/05/832654305.db2.gz DMWJZMTUIRZQDC-SNVBAGLBSA-N 2 0 349.361 -0.217 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]C[C@@H](O)COCC(F)(F)F)C1 ZINC001176056839 832654412 /nfs/dbraw/zinc/65/44/12/832654412.db2.gz KZBJBOMUHFQOOI-NWDGAFQWSA-N 2 0 341.374 -0.026 20 0 EBADRP O=C(C[NH+]1CCCC1)NCCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001176110519 832658090 /nfs/dbraw/zinc/65/80/90/832658090.db2.gz UYSRQOWFCMJWEN-OAHLLOKOSA-N 2 0 343.468 -0.265 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001176152752 832659355 /nfs/dbraw/zinc/65/93/55/832659355.db2.gz JBMCOBIJOGSHIQ-UONOGXRCSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1)C(=O)N(C)C ZINC001176161767 832660227 /nfs/dbraw/zinc/66/02/27/832660227.db2.gz RNSNIBSYBNFHCZ-UONOGXRCSA-N 2 0 328.457 -0.473 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001176160530 832660441 /nfs/dbraw/zinc/66/04/41/832660441.db2.gz HTXCAFCVYWCCSB-CQSZACIVSA-N 2 0 340.468 -0.423 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1)C(=O)NC1CC1 ZINC001176161880 832660510 /nfs/dbraw/zinc/66/05/10/832660510.db2.gz RZKGFUJXCCLGKU-UONOGXRCSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176164701 832660822 /nfs/dbraw/zinc/66/08/22/832660822.db2.gz DLYDMTJAXHQHPQ-OLZOCXBDSA-N 2 0 341.456 -0.212 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CC(=O)NC(C)(C)C ZINC001176168928 832660885 /nfs/dbraw/zinc/66/08/85/832660885.db2.gz HCBTYNAEJZOQKB-AWEZNQCLSA-N 2 0 342.484 -0.035 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001176972308 832722478 /nfs/dbraw/zinc/72/24/78/832722478.db2.gz VUXCAAWTFVYHIZ-CQSZACIVSA-N 2 0 348.513 -0.296 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001176992540 832727559 /nfs/dbraw/zinc/72/75/59/832727559.db2.gz SVPDZSNATMCRMI-AWEZNQCLSA-N 2 0 325.457 -0.018 20 0 EBADRP C[C@@H]([NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)NC(N)=O ZINC001178045864 832816660 /nfs/dbraw/zinc/81/66/60/832816660.db2.gz XPENYZSRBCYSEE-OLZOCXBDSA-N 2 0 341.456 -0.070 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCS(C)(=O)=O)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001178716250 832903663 /nfs/dbraw/zinc/90/36/63/832903663.db2.gz NCQSDZJFKRBSSA-CFVMTHIKSA-N 2 0 343.493 -0.048 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]2C)CC[N@@H+]1C ZINC001178735866 832907482 /nfs/dbraw/zinc/90/74/82/832907482.db2.gz GYYKOCBHKWVCIV-ZDEQEGDKSA-N 2 0 339.440 -0.509 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001179431051 832978642 /nfs/dbraw/zinc/97/86/42/832978642.db2.gz MXICAXBGEGADHO-KBPBESRZSA-N 2 0 337.468 -0.068 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCN(C)S(C)(=O)=O)CCN1C(=O)CC[NH+](C)C ZINC001179482005 832982728 /nfs/dbraw/zinc/98/27/28/832982728.db2.gz OIBTZSJCBFHXCW-STQMWFEESA-N 2 0 334.486 -0.592 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1C ZINC001179534761 832986307 /nfs/dbraw/zinc/98/63/07/832986307.db2.gz VHQKRZWPKIMOML-RDBSUJKOSA-N 2 0 346.497 -0.401 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001187106805 833900960 /nfs/dbraw/zinc/90/09/60/833900960.db2.gz MIKKWFDVPFBSAM-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187122531 833903859 /nfs/dbraw/zinc/90/38/59/833903859.db2.gz WCBIKRUTRMIXFO-CQSZACIVSA-N 2 0 343.472 -0.537 20 0 EBADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n(C)n1 ZINC001187826120 833971308 /nfs/dbraw/zinc/97/13/08/833971308.db2.gz WKDKAUYKKIJWHT-UONOGXRCSA-N 2 0 348.451 -0.191 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187826110 833971629 /nfs/dbraw/zinc/97/16/29/833971629.db2.gz VQISVBGITFSRIM-HUUCEWRRSA-N 2 0 326.441 -0.719 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187825458 833972033 /nfs/dbraw/zinc/97/20/33/833972033.db2.gz MCPHKKKQOTWGOV-ZIAGYGMSSA-N 2 0 346.497 -0.590 20 0 EBADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001187851825 833972958 /nfs/dbraw/zinc/97/29/58/833972958.db2.gz VXTALAUMRCFRFK-ZNMIVQPWSA-N 2 0 329.441 -0.848 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001187851013 833973419 /nfs/dbraw/zinc/97/34/19/833973419.db2.gz LQJXSKPWZSZNEV-UONOGXRCSA-N 2 0 326.441 -0.767 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001187851986 833975073 /nfs/dbraw/zinc/97/50/73/833975073.db2.gz YFWDYOYXTZEYAM-HUUCEWRRSA-N 2 0 329.441 -0.846 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001188140047 834013042 /nfs/dbraw/zinc/01/30/42/834013042.db2.gz WUROFGDILTUHNB-ZIAGYGMSSA-N 2 0 346.497 -0.400 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001188158734 834016628 /nfs/dbraw/zinc/01/66/28/834016628.db2.gz WRTBZJKRCZKORG-LSDHHAIUSA-N 2 0 340.468 -0.236 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001188346337 834036320 /nfs/dbraw/zinc/03/63/20/834036320.db2.gz JAICXIRSBINBAU-CYBMUJFWSA-N 2 0 339.440 -0.362 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189019056 834116539 /nfs/dbraw/zinc/11/65/39/834116539.db2.gz ZLVODYMVNHXBOA-HRCADAONSA-N 2 0 325.453 -0.132 20 0 EBADRP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001213456003 837777549 /nfs/dbraw/zinc/77/75/49/837777549.db2.gz YUKXJKFSHJOLTM-ARFHVFGLSA-N 2 0 343.468 -0.315 20 0 EBADRP COCC[N@@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213455950 837778002 /nfs/dbraw/zinc/77/80/02/837778002.db2.gz VUHDBNRERYEPOB-BZUAXINKSA-N 2 0 343.468 -0.051 20 0 EBADRP COCCOC[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192171860 834621724 /nfs/dbraw/zinc/62/17/24/834621724.db2.gz XETBXYYPDVRTJM-HUUCEWRRSA-N 2 0 331.457 -0.505 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@H]([N@H+](C)CCN2CCNC2=O)C1 ZINC001192969397 834774041 /nfs/dbraw/zinc/77/40/41/834774041.db2.gz JILSUMBZOIGGLK-AWEZNQCLSA-N 2 0 325.457 -0.114 20 0 EBADRP C[C@H](C(=O)NC1CC1)[N@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487802 834886777 /nfs/dbraw/zinc/88/67/77/834886777.db2.gz FZRQUETXJZIYDO-UKRRQHHQSA-N 2 0 340.468 -0.236 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)C[C@@H](O)COCCOC)C1 ZINC001193642397 834921548 /nfs/dbraw/zinc/92/15/48/834921548.db2.gz NHTSEVLZPLOFGG-JKSUJKDBSA-N 2 0 345.484 -0.115 20 0 EBADRP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213638636 837827123 /nfs/dbraw/zinc/82/71/23/837827123.db2.gz XVJVLFDXGCZOCX-FVQBIDKESA-N 2 0 343.468 -0.053 20 0 EBADRP C[NH+]1CCN(c2cncc(C(=O)n3cc(C[NH3+])cnc3=N)c2)CC1 ZINC001193954897 834986782 /nfs/dbraw/zinc/98/67/82/834986782.db2.gz KSTZKEPERXZQOE-UHFFFAOYSA-N 2 0 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C[NH+](C)CC1(C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001209303448 837154158 /nfs/dbraw/zinc/15/41/58/837154158.db2.gz JXEFSOHWEBGYNR-NSHDSACASA-N 2 0 325.413 -0.896 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001209325338 837157728 /nfs/dbraw/zinc/15/77/28/837157728.db2.gz YZYBYJLWGINCHA-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209420003 837165536 /nfs/dbraw/zinc/16/55/36/837165536.db2.gz QYKCWZVLDCSITQ-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001209446739 837167516 /nfs/dbraw/zinc/16/75/16/837167516.db2.gz UPTXUSVOXFXWBE-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+](CC)CC ZINC001209615102 837181694 /nfs/dbraw/zinc/18/16/94/837181694.db2.gz SEFYGRNZWMNXTK-CHWSQXEVSA-N 2 0 341.456 -0.118 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001209632923 837184340 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2 0 337.468 -0.023 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210673881 837315949 /nfs/dbraw/zinc/31/59/49/837315949.db2.gz IZJJIRGHTUFSQH-QWHCGFSZSA-N 2 0 339.440 -0.636 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001210685367 837320904 /nfs/dbraw/zinc/32/09/04/837320904.db2.gz UPFIDSLGTRWEQI-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)COCCOC)C1 ZINC001210811107 837333054 /nfs/dbraw/zinc/33/30/54/837333054.db2.gz JAUGPSJVWFWEMU-HZPDHXFCSA-N 2 0 345.484 -0.067 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001210810823 837333639 /nfs/dbraw/zinc/33/36/39/837333639.db2.gz DVYVYWJKMRXUEP-CHWSQXEVSA-N 2 0 341.456 -0.247 20 0 EBADRP CC(C)(C(=O)NC[C@H](O)C[NH2+]CCn1cncn1)[NH+]1CCCCC1 ZINC001320218610 838713483 /nfs/dbraw/zinc/71/34/83/838713483.db2.gz UBQHGCVWKJSYCY-CQSZACIVSA-N 2 0 338.456 -0.391 20 0 EBADRP Cc1cc(C)n(CC[NH2+]C[C@@H](O)CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001320294648 838748024 /nfs/dbraw/zinc/74/80/24/838748024.db2.gz DQTDHIDCNFXPAH-HZPDHXFCSA-N 2 0 337.468 -0.092 20 0 EBADRP O=C(NC[C@H](O)C[NH2+]CCC[C@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001320296528 838749648 /nfs/dbraw/zinc/74/96/48/838749648.db2.gz SCJGQCCSMIMDQW-LSDHHAIUSA-N 2 0 325.453 -0.034 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCOCC(F)(F)F)C1 ZINC001320313048 838754733 /nfs/dbraw/zinc/75/47/33/838754733.db2.gz KXKZDKVORVIXGN-MNOVXSKESA-N 2 0 327.347 -0.416 20 0 EBADRP CCN(CC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)C12CCC[NH+]1CCC2 ZINC001320780924 838837485 /nfs/dbraw/zinc/83/74/85/838837485.db2.gz DIEJZVKZJUNOKO-ZDUSSCGKSA-N 2 0 336.436 -0.142 20 0 EBADRP CS(=O)(=O)NCC[NH2+]C/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001321065937 838895695 /nfs/dbraw/zinc/89/56/95/838895695.db2.gz WZIKIAFRXRUHAF-SFAKSCPVSA-N 2 0 344.481 -0.861 20 0 EBADRP O=C(CCC[NH+]1CCCC1)NC/C=C/C[NH2+][C@H]1CCC(=O)NC1=O ZINC001321416210 838986807 /nfs/dbraw/zinc/98/68/07/838986807.db2.gz HGRMGXAYVRUOLA-YUKKFKLSSA-N 2 0 336.436 -0.070 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001321584749 839026208 /nfs/dbraw/zinc/02/62/08/839026208.db2.gz QLZYRTDZSDCZQM-UHFFFAOYSA-N 2 0 327.473 -0.850 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CCNS(C)(=O)=O)C1CC1 ZINC001323046637 839334520 /nfs/dbraw/zinc/33/45/20/839334520.db2.gz HGUIPTOAJDLPCK-KBPBESRZSA-N 2 0 346.497 -0.496 20 0 EBADRP C[NH+](C)C1(C(=O)NCC2([NH2+]CCN3C(=O)CNC3=O)CC2)CCC1 ZINC001323460546 839447663 /nfs/dbraw/zinc/44/76/63/839447663.db2.gz YVNIKCYWPFJRIE-UHFFFAOYSA-N 2 0 337.424 -0.739 20 0 EBADRP NC(=O)C[C@H]1CC[N@H+](CCOCC[NH+]2CC[C@@H](CC(N)=O)C2)C1 ZINC001323707499 839504906 /nfs/dbraw/zinc/50/49/06/839504906.db2.gz QVRKXPXYRMXMAG-OKILXGFUSA-N 2 0 326.441 -0.602 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001324537591 839674085 /nfs/dbraw/zinc/67/40/85/839674085.db2.gz JIMJNXRHNZDFLQ-RDBSUJKOSA-N 2 0 336.436 -0.191 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CC[C@](C)(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001324818490 839718582 /nfs/dbraw/zinc/71/85/82/839718582.db2.gz XAKIRWNYKPVPQP-MRXNPFEDSA-N 2 0 341.456 -0.259 20 0 EBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC001325422173 839864189 /nfs/dbraw/zinc/86/41/89/839864189.db2.gz GXPDFAUNHONVJP-GJZGRUSLSA-N 2 0 339.484 -0.613 20 0 EBADRP CC(C)NC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001326024624 840006263 /nfs/dbraw/zinc/00/62/63/840006263.db2.gz WJMRGOBRUMWRHL-ZIAGYGMSSA-N 2 0 328.457 -0.738 20 0 EBADRP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001326276432 840078615 /nfs/dbraw/zinc/07/86/15/840078615.db2.gz AMHJXIJCSKPDHN-ZIAGYGMSSA-N 2 0 326.441 -0.719 20 0 EBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC001327404946 840405796 /nfs/dbraw/zinc/40/57/96/840405796.db2.gz CMSMIFQNKBZZGP-UHFFFAOYSA-N 2 0 340.468 -0.463 20 0 EBADRP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC001327534099 840448439 /nfs/dbraw/zinc/44/84/39/840448439.db2.gz YNWGVALNQSHOSG-WMLDXEAASA-N 2 0 338.452 -0.447 20 0 EBADRP COCC[NH2+][C@@]1(CO)CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001327603119 840470685 /nfs/dbraw/zinc/47/06/85/840470685.db2.gz KWHCTYLXWMAETH-KRWDZBQOSA-N 2 0 343.468 -0.313 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001327940701 840553357 /nfs/dbraw/zinc/55/33/57/840553357.db2.gz CCOILQGYAYTWNA-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001327943973 840555237 /nfs/dbraw/zinc/55/52/37/840555237.db2.gz OVEKUDAHFBNHDL-ZBFHGGJFSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2([NH3+])CCOCC2)C[C@@H]1C ZINC001329004430 840813380 /nfs/dbraw/zinc/81/33/80/840813380.db2.gz SAVJXPQPRWRILP-UONOGXRCSA-N 2 0 340.468 -0.058 20 0 EBADRP CN(CC(C)(C)C[NH2+][C@H]1CCC(=O)NC1=O)C(=O)C[NH+]1CCCC1 ZINC001329358942 840901308 /nfs/dbraw/zinc/90/13/08/840901308.db2.gz VRTWZZUBOWIIFY-ZDUSSCGKSA-N 2 0 338.452 -0.038 20 0 EBADRP C[NH2+]CCCNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001329424490 840915752 /nfs/dbraw/zinc/91/57/52/840915752.db2.gz DMRUIUWWOARRAU-OLZOCXBDSA-N 2 0 325.413 -0.438 20 0 EBADRP CN(CCCCO)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001329471851 840933150 /nfs/dbraw/zinc/93/31/50/840933150.db2.gz ZMXMNBHWMURKAC-HUUCEWRRSA-N 2 0 342.484 -0.585 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC001329611297 840965389 /nfs/dbraw/zinc/96/53/89/840965389.db2.gz ADSAZXITTDSGGP-SOUVJXGZSA-N 2 0 339.484 -0.724 20 0 EBADRP C[NH2+]CCCNC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001329838590 841036933 /nfs/dbraw/zinc/03/69/33/841036933.db2.gz SMGOEGBRPLYKPS-UHFFFAOYSA-N 2 0 340.468 -0.281 20 0 EBADRP CN(C(=O)[C@H](N)CC[NH+](C)C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001329937485 841067569 /nfs/dbraw/zinc/06/75/69/841067569.db2.gz OMGDPLLFCKMRKM-JKSUJKDBSA-N 2 0 325.501 -0.108 20 0 EBADRP COCC[NH2+][C@H](C)[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CCO1 ZINC001330421919 841195529 /nfs/dbraw/zinc/19/55/29/841195529.db2.gz BATAEXMXYCLPEN-ZBFHGGJFSA-N 2 0 343.468 -0.051 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC001330860767 841285751 /nfs/dbraw/zinc/28/57/51/841285751.db2.gz RKXOKDKLFSFPEX-ZDUSSCGKSA-N 2 0 326.441 -0.589 20 0 EBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001331147364 841355494 /nfs/dbraw/zinc/35/54/94/841355494.db2.gz UOXJMXWBOXWATB-MGPQQGTHSA-N 2 0 337.468 -0.781 20 0 EBADRP CCN(C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1CC[NH2+]C1 ZINC001331167339 841362011 /nfs/dbraw/zinc/36/20/11/841362011.db2.gz GFGQOMSJXZAIOG-GJZGRUSLSA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001331512299 841419088 /nfs/dbraw/zinc/41/90/88/841419088.db2.gz BXAXJAYRLROQSJ-BYNSBNAKSA-N 2 0 342.484 -0.134 20 0 EBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC001331559950 841425920 /nfs/dbraw/zinc/42/59/20/841425920.db2.gz SKTRVVIMVUGLKN-AWEZNQCLSA-N 2 0 348.403 -0.710 20 0 EBADRP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCN1CCOC ZINC001331665590 841454704 /nfs/dbraw/zinc/45/47/04/841454704.db2.gz BCSZSZHGSZEAFS-RBSFLKMASA-N 2 0 340.468 -0.201 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC001332251134 841599156 /nfs/dbraw/zinc/59/91/56/841599156.db2.gz PXBDPFQHQUXCIH-UONOGXRCSA-N 2 0 339.484 -0.757 20 0 EBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001332269168 841603023 /nfs/dbraw/zinc/60/30/23/841603023.db2.gz DPTHOKKWWLWBMB-ZIAGYGMSSA-N 2 0 340.468 -0.282 20 0 EBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC001332301823 841610364 /nfs/dbraw/zinc/61/03/64/841610364.db2.gz ISAQKEUFXYYDGH-AWEZNQCLSA-N 2 0 337.468 -0.907 20 0 EBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001332342171 841619818 /nfs/dbraw/zinc/61/98/18/841619818.db2.gz SLHGTTOAAVXEEC-JOCQHMNTSA-N 2 0 326.441 -0.591 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CCCN1CCCC1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001332549319 841667275 /nfs/dbraw/zinc/66/72/75/841667275.db2.gz AHXHGZIXLSFIMF-LSDHHAIUSA-N 2 0 340.468 -0.498 20 0 EBADRP CCOCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001333528968 841900288 /nfs/dbraw/zinc/90/02/88/841900288.db2.gz KCVSJSZUFRZROL-ARFHVFGLSA-N 2 0 340.468 -0.006 20 0 EBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)CC1 ZINC001333979434 841980035 /nfs/dbraw/zinc/98/00/35/841980035.db2.gz MFJLVNZFIXYUPN-CQSZACIVSA-N 2 0 337.468 -0.907 20 0 EBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001334018827 841984459 /nfs/dbraw/zinc/98/44/59/841984459.db2.gz IFGOUCWWHLNVQB-UONOGXRCSA-N 2 0 340.468 -0.322 20 0 EBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001334018826 841984678 /nfs/dbraw/zinc/98/46/78/841984678.db2.gz IFGOUCWWHLNVQB-KGLIPLIRSA-N 2 0 340.468 -0.322 20 0 EBADRP O=C(C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N(c1ccccn1)C1CC[NH2+]CC1 ZINC001334057471 841989716 /nfs/dbraw/zinc/98/97/16/841989716.db2.gz YRWLLOWUNIBUHW-OKILXGFUSA-N 2 0 343.431 -0.156 20 0 EBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)C[C@H]2C1 ZINC001334756937 842125750 /nfs/dbraw/zinc/12/57/50/842125750.db2.gz FJRYFQFUIQAHDS-QCODTGAPSA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@@H]2CCN2C)CCCO1 ZINC001334889381 842144525 /nfs/dbraw/zinc/14/45/25/842144525.db2.gz YPHMRBOISZZBFM-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC001335188755 842218642 /nfs/dbraw/zinc/21/86/42/842218642.db2.gz RQJIJQYLZIKFCR-CYBMUJFWSA-N 2 0 336.392 -0.854 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)C[NH+]1CCN(C)CC1 ZINC001335195886 842220701 /nfs/dbraw/zinc/22/07/01/842220701.db2.gz DLZGOQWBBGVZCT-GJZGRUSLSA-N 2 0 339.484 -0.817 20 0 EBADRP CN(C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)C1(C[NH3+])CCOCC1 ZINC001335199415 842221513 /nfs/dbraw/zinc/22/15/13/842221513.db2.gz XRPVNZSSTHHFRF-CYBMUJFWSA-N 2 0 338.452 -0.447 20 0 EBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)C[C@@H]2C1 ZINC001336118860 842400037 /nfs/dbraw/zinc/40/00/37/842400037.db2.gz LNSZPPQSMWIINQ-DGADGQDISA-N 2 0 334.464 -0.147 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001336660322 842531284 /nfs/dbraw/zinc/53/12/84/842531284.db2.gz WNDUJWIDWTWVAY-ZNMIVQPWSA-N 2 0 340.468 -0.473 20 0 EBADRP CC(C)[NH+]1CCC(O)(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001336795555 842543271 /nfs/dbraw/zinc/54/32/71/842543271.db2.gz WOJTYPYVSADHKE-MRXNPFEDSA-N 3 0 328.501 -0.580 20 0 EBADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NCC[C@H](C)[NH3+])CC1 ZINC001336964528 842566076 /nfs/dbraw/zinc/56/60/76/842566076.db2.gz IGTPURGLJBDUHS-ZDUSSCGKSA-N 2 0 328.457 -0.155 20 0 EBADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCN2CCC([NH3+])CC2)CC[N@@H+]1C ZINC001338327551 842783003 /nfs/dbraw/zinc/78/30/03/842783003.db2.gz KNELLYNDBIWEPM-UKRRQHHQSA-N 2 0 339.484 -0.533 20 0 EBADRP CC(C)C[C@@H]1CN(C)CCN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC001341345429 843078606 /nfs/dbraw/zinc/07/86/06/843078606.db2.gz MVWKZMGRECICRZ-OAHLLOKOSA-N 2 0 342.484 -0.131 20 0 EBADRP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)[C@H]1C[NH2+]CCC1(F)F ZINC001342042579 843135613 /nfs/dbraw/zinc/13/56/13/843135613.db2.gz AFWHRKBWZJVWCN-OUCADQQQSA-N 2 0 333.379 -0.427 20 0 EBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](CO)C3)C2)CC1 ZINC001342137412 843143009 /nfs/dbraw/zinc/14/30/09/843143009.db2.gz XZMNNAHVMDSHGP-ZIAGYGMSSA-N 2 0 338.452 -0.888 20 0 EBADRP O=C(NCC[NH2+]CCNC(=O)[C@@H]1CCCC[NH2+]1)[C@@H]1CCCC[NH2+]1 ZINC001343170934 843203855 /nfs/dbraw/zinc/20/38/55/843203855.db2.gz ILHXKTQQBYGJLU-KBPBESRZSA-N 3 0 325.457 -0.907 20 0 EBADRP O=C(C[C@H]1CCC[NH2+]1)NCC[NH2+]CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC001343280084 843215601 /nfs/dbraw/zinc/21/56/01/843215601.db2.gz DPXKZFSDEYGVIX-OKILXGFUSA-N 3 0 325.457 -0.907 20 0 EBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC001343438657 843236668 /nfs/dbraw/zinc/23/66/68/843236668.db2.gz ICDQMUVJHUJQCV-LSDHHAIUSA-N 2 0 338.452 -0.636 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC001344772466 843333138 /nfs/dbraw/zinc/33/31/38/843333138.db2.gz FVXLUPYRTPHNPY-CQSZACIVSA-N 2 0 340.468 -0.377 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001345319222 843387458 /nfs/dbraw/zinc/38/74/58/843387458.db2.gz VNFASDDELSPDBY-ZFWWWQNUSA-N 2 0 340.468 -0.188 20 0 EBADRP [NH3+]CCN(CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC001346029335 843473197 /nfs/dbraw/zinc/47/31/97/843473197.db2.gz XTOYQNXYIJPJRQ-SFHVURJKSA-N 2 0 345.491 -0.047 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCN1C ZINC001346229287 843489272 /nfs/dbraw/zinc/48/92/72/843489272.db2.gz PGIYMBUJHBLZBH-GJZGRUSLSA-N 2 0 329.489 -0.112 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001347062892 843585440 /nfs/dbraw/zinc/58/54/40/843585440.db2.gz LGXUXLNTMRWVCL-FPMFFAJLSA-N 2 0 326.441 -0.796 20 0 EBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC001347670971 843637129 /nfs/dbraw/zinc/63/71/29/843637129.db2.gz KWEDPVPEFDOCDZ-BRWVUGGUSA-N 2 0 335.496 -0.387 20 0 EBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001348702773 843737069 /nfs/dbraw/zinc/73/70/69/843737069.db2.gz XBRUXFLPNAAOPM-HUUCEWRRSA-N 2 0 340.468 -0.473 20 0 EBADRP COCCOCCN1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001348845340 843757052 /nfs/dbraw/zinc/75/70/52/843757052.db2.gz DYOQHBFHORYURN-CVEARBPZSA-N 2 0 340.468 -0.818 20 0 EBADRP COCCO[C@@H]1COCC[C@H]1[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001348970673 843780802 /nfs/dbraw/zinc/78/08/02/843780802.db2.gz AQMNBVMBLQORJM-ARFHVFGLSA-N 2 0 331.457 -0.995 20 0 EBADRP COCCO[C@@H]1COCC[C@H]1[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001348970674 843781143 /nfs/dbraw/zinc/78/11/43/843781143.db2.gz AQMNBVMBLQORJM-BZUAXINKSA-N 2 0 331.457 -0.995 20 0 EBADRP [NH3+]CCN(CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC001349398061 843898743 /nfs/dbraw/zinc/89/87/43/843898743.db2.gz CNRMEXSSBSBRKO-SFHVURJKSA-N 2 0 345.491 -0.047 20 0 EBADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574721120 949810844 /nfs/dbraw/zinc/81/08/44/949810844.db2.gz JKBHCWQGVVZQOA-LLVKDONJSA-N 2 0 332.412 -0.106 20 0 EBADRP CN(CCNC(=O)C[N@H+](C)C1CCC1)C[C@H]1CCS(=O)(=O)C1 ZINC001480873914 1125798896 /nfs/dbraw/zinc/79/88/96/1125798896.db2.gz OJPUKMQQQNTOAM-CYBMUJFWSA-N 2 0 331.482 -0.047 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001691324894 1125851118 /nfs/dbraw/zinc/85/11/18/1125851118.db2.gz ZUWDUXGTGMJWSN-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP CN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)CC(=O)NC[C@@H]1CCOC1 ZINC001480935776 1125882605 /nfs/dbraw/zinc/88/26/05/1125882605.db2.gz RUNDXLVNCHIJSH-CABCVRRESA-N 2 0 340.468 -0.471 20 0 EBADRP C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC1CCS(=O)(=O)CC1 ZINC001480936792 1125884805 /nfs/dbraw/zinc/88/48/05/1125884805.db2.gz QCVOTVUHFSDSDP-UHFFFAOYSA-N 2 0 343.493 -0.045 20 0 EBADRP C[C@@H](C(=O)Nc1ncccn1)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001480946579 1125889027 /nfs/dbraw/zinc/88/90/27/1125889027.db2.gz SQBBTLSZHANQNH-QWHCGFSZSA-N 2 0 334.424 -0.197 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)[C@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001480975992 1125902629 /nfs/dbraw/zinc/90/26/29/1125902629.db2.gz PPRPMDWPLMUUDE-MJBXVCDLSA-N 2 0 338.452 -0.040 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001481239131 1125949884 /nfs/dbraw/zinc/94/98/84/1125949884.db2.gz LINKODODKYPJOE-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001481280029 1125963152 /nfs/dbraw/zinc/96/31/52/1125963152.db2.gz NEVRWKORBXZZTP-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[C@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001481457848 1125993765 /nfs/dbraw/zinc/99/37/65/1125993765.db2.gz MQGMAJWMIGPCHA-LBPRGKRZSA-N 2 0 327.429 -0.649 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[C@H]1CC[NH+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001481458463 1125994000 /nfs/dbraw/zinc/99/40/00/1125994000.db2.gz WDANZEBVVUKRQW-OLZOCXBDSA-N 2 0 341.456 -0.260 20 0 EBADRP O=C(Cc1c[nH]cn1)NCC[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001481449222 1125991849 /nfs/dbraw/zinc/99/18/49/1125991849.db2.gz AESWQNHKEJKFQR-YPMHNXCESA-N 2 0 333.392 -0.414 20 0 EBADRP O=C(NCC[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001481455601 1125993407 /nfs/dbraw/zinc/99/34/07/1125993407.db2.gz BIHPRWCKHRWLOU-KBPBESRZSA-N 2 0 348.447 -0.284 20 0 EBADRP CC[C@@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)[NH2+][C@H](C)C(N)=O ZINC001481824523 1126059231 /nfs/dbraw/zinc/05/92/31/1126059231.db2.gz UWZRPAVJWNYDRI-OLZOCXBDSA-N 2 0 328.457 -0.297 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCN(C)S(C)(=O)=O)[NH+](C)C ZINC001482065021 1126075262 /nfs/dbraw/zinc/07/52/62/1126075262.db2.gz DFWBZGUWTQZXDP-KGLIPLIRSA-N 2 0 348.513 -0.201 20 0 EBADRP CN(CC[NH2+]CC(=O)NC(=O)NC(C)(C)C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001493498956 1126090416 /nfs/dbraw/zinc/09/04/16/1126090416.db2.gz FCAZMDCAVOWBFI-LBPRGKRZSA-N 2 0 341.456 -0.247 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001482296854 1126122226 /nfs/dbraw/zinc/12/22/26/1126122226.db2.gz AGYUOISEBXUSKX-NWDGAFQWSA-N 2 0 327.429 -0.637 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482296851 1126122283 /nfs/dbraw/zinc/12/22/83/1126122283.db2.gz AGYUOISEBXUSKX-NEPJUHHUSA-N 2 0 327.429 -0.637 20 0 EBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001482431702 1126148886 /nfs/dbraw/zinc/14/88/86/1126148886.db2.gz DQOPNTGZUOZIKQ-QWHCGFSZSA-N 2 0 339.440 -0.684 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001482461461 1126158601 /nfs/dbraw/zinc/15/86/01/1126158601.db2.gz OVOAZNQTYIQPKJ-CYBMUJFWSA-N 2 0 341.456 -0.118 20 0 EBADRP C[C@@H](CNC(=O)C1=NOC2(C1)CC[NH2+]CC2)C[NH+]1CCN(C)CC1 ZINC001648975993 1126206153 /nfs/dbraw/zinc/20/61/53/1126206153.db2.gz FWIQBRIUHVWUAA-AWEZNQCLSA-N 2 0 337.468 -0.115 20 0 EBADRP Cc1cc(C)n(CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)n1 ZINC001482728443 1126268399 /nfs/dbraw/zinc/26/83/99/1126268399.db2.gz GPZIDARGKAUQHT-IAGOWNOFSA-N 2 0 349.479 -0.092 20 0 EBADRP COc1cncc(C[NH2+]C[C@H](O)CNC(=O)C2([NH+](C)C)CCC2)n1 ZINC001482737565 1126272198 /nfs/dbraw/zinc/27/21/98/1126272198.db2.gz OXVLOUUMAUJBGB-ZDUSSCGKSA-N 2 0 337.424 -0.464 20 0 EBADRP C[C@H]([NH2+]C[C@H](O)CNC(=O)C1(C[NH+](C)C)CC1)C(=O)NC(C)(C)C ZINC001482761848 1126280363 /nfs/dbraw/zinc/28/03/63/1126280363.db2.gz HXPZJULDJNBWAU-STQMWFEESA-N 2 0 342.484 -0.302 20 0 EBADRP C[NH+](C)CC1(C(=O)NC[C@@H](O)C[NH2+]C[C@@H]2CCNC(=O)CC2)CC1 ZINC001482763694 1126281141 /nfs/dbraw/zinc/28/11/41/1126281141.db2.gz ZPBAPFBFWWQSQY-KBPBESRZSA-N 2 0 340.468 -0.689 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)Nc2ccccc2)C1 ZINC001482792474 1126288335 /nfs/dbraw/zinc/28/83/35/1126288335.db2.gz ZOKROOCXBWFHBW-UKRRQHHQSA-N 2 0 334.420 -0.357 20 0 EBADRP CCn1cc(CC[NH2+]C[C@@H](O)CNC(=O)[C@@]23CC[N@H+](C2)CCC3)cn1 ZINC001482789857 1126291833 /nfs/dbraw/zinc/29/18/33/1126291833.db2.gz ZGYDXKIAARUPIU-AEFFLSMTSA-N 2 0 349.479 -0.002 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCCC(C)(C)C)C1 ZINC001482790832 1126292363 /nfs/dbraw/zinc/29/23/63/1126292363.db2.gz KMKANTBAWQISSZ-KBPBESRZSA-N 2 0 342.484 -0.443 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001482889161 1126300660 /nfs/dbraw/zinc/30/06/60/1126300660.db2.gz BMRAOZCWAVJFJT-VXGBXAGGSA-N 2 0 339.440 -0.589 20 0 EBADRP C[C@@H]([NH2+]CC[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1)C(N)=O ZINC001482845121 1126297624 /nfs/dbraw/zinc/29/76/24/1126297624.db2.gz CQFSYSUFFANGKG-QWHCGFSZSA-N 2 0 328.457 -0.297 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC(=O)NC(N)=O ZINC001482847531 1126297789 /nfs/dbraw/zinc/29/77/89/1126297789.db2.gz FDMPDJKPGRNWDE-STQMWFEESA-N 2 0 341.456 -0.214 20 0 EBADRP CCN(CC[NH2+]CC(=O)NC1CCOCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482967701 1126307251 /nfs/dbraw/zinc/30/72/51/1126307251.db2.gz XDHKZVRJGASESJ-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP CCN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)C[NH+]1CCCC1 ZINC001482967434 1126307347 /nfs/dbraw/zinc/30/73/47/1126307347.db2.gz RBGXGPBJSUKVFH-UHFFFAOYSA-N 2 0 325.413 -0.928 20 0 EBADRP C[C@H]([NH2+]C/C=C\CNC(=O)CC[C@H]1CCC[N@@H+]1C)C(=O)NC(N)=O ZINC001483023278 1126314385 /nfs/dbraw/zinc/31/43/85/1126314385.db2.gz XBGLHGJKZLDIOH-RSNNXLNZSA-N 2 0 339.440 -0.294 20 0 EBADRP CN(CC[NH2+]CCCN1C(=O)CNC1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001691555865 1126321372 /nfs/dbraw/zinc/32/13/72/1126321372.db2.gz MWMJMOFRKCYKNC-ZDUSSCGKSA-N 2 0 339.440 -0.682 20 0 EBADRP CN(CC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001691602724 1126324945 /nfs/dbraw/zinc/32/49/45/1126324945.db2.gz CRJQURRILOTOTH-ZIAGYGMSSA-N 2 0 346.497 -0.732 20 0 EBADRP Cn1ccc(N2CC[C@H]([NH2+]C/C=C/CNC(=O)CC[NH+](C)C)C2=O)n1 ZINC001483054719 1126326500 /nfs/dbraw/zinc/32/65/00/1126326500.db2.gz QUUVQSQQYRUJOC-NNTXTVRGSA-N 2 0 348.451 -0.261 20 0 EBADRP Cn1[nH]c(CNC/C=C\CNC(=O)CC2CC[NH+](C)CC2)nc1=O ZINC001483069131 1126328682 /nfs/dbraw/zinc/32/86/82/1126328682.db2.gz JWUXCYNGBKWPFM-ARJAWSKDSA-N 2 0 336.440 -0.398 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC/C=C/C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001483082519 1126330636 /nfs/dbraw/zinc/33/06/36/1126330636.db2.gz REPMWXWGDUUBRE-YWVDXFKGSA-N 2 0 337.424 -0.858 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001409369375 1126359485 /nfs/dbraw/zinc/35/94/85/1126359485.db2.gz BVRAOWAXWZSRLA-WDEREUQCSA-N 2 0 327.429 -0.733 20 0 EBADRP C[C@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)[NH2+]Cc1cnnn1C ZINC001409422294 1126365843 /nfs/dbraw/zinc/36/58/43/1126365843.db2.gz YLDJLCPTSKSPNO-STQMWFEESA-N 2 0 338.456 -0.091 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001409629330 1126385958 /nfs/dbraw/zinc/38/59/58/1126385958.db2.gz PBGJXPNXLRHXLL-NEPJUHHUSA-N 2 0 329.445 -0.391 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001483456094 1126428751 /nfs/dbraw/zinc/42/87/51/1126428751.db2.gz MOBKIBNWGNDGJA-NEPJUHHUSA-N 2 0 327.429 -0.637 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]CCN2CCNC2=O)C1 ZINC001483493206 1126430961 /nfs/dbraw/zinc/43/09/61/1126430961.db2.gz UYKQYEJQSQZHFM-AWEZNQCLSA-N 2 0 325.457 -0.209 20 0 EBADRP CCCNC(=O)NC(=O)CN(C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483417594 1126426237 /nfs/dbraw/zinc/42/62/37/1126426237.db2.gz MZSLHYLORHUSQI-QWHCGFSZSA-N 2 0 341.456 -0.390 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001483439298 1126428157 /nfs/dbraw/zinc/42/81/57/1126428157.db2.gz APZXVKWRZGGHER-OLZOCXBDSA-N 2 0 341.456 -0.212 20 0 EBADRP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CC(=O)NC(=O)NC ZINC001483620478 1126440861 /nfs/dbraw/zinc/44/08/61/1126440861.db2.gz JRXHOEBHIITXLQ-CHWSQXEVSA-N 2 0 341.456 -0.390 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+]C[C@@H](O)Cn3cccn3)CC2)C1 ZINC001483768008 1126474580 /nfs/dbraw/zinc/47/45/80/1126474580.db2.gz UJEDAOZCLAKNGX-LSDHHAIUSA-N 2 0 335.452 -0.176 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@]2(CC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001483847953 1126482160 /nfs/dbraw/zinc/48/21/60/1126482160.db2.gz OXQRTSBUBBIDNK-MRXNPFEDSA-N 2 0 339.440 -0.554 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001483951372 1126492902 /nfs/dbraw/zinc/49/29/02/1126492902.db2.gz CKFVZWMAKWOTRD-LBPRGKRZSA-N 2 0 327.429 -0.506 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001484102178 1126506616 /nfs/dbraw/zinc/50/66/16/1126506616.db2.gz WSUKXLNQIIGLBU-QGZVFWFLSA-N 2 0 340.468 -0.342 20 0 EBADRP CN1CC[C@@H]([N@@H+]2CC[C@](O)(CNC(=O)C3([NH+](C)C)CCC3)C2)C1=O ZINC001484222079 1126524618 /nfs/dbraw/zinc/52/46/18/1126524618.db2.gz BMCVXBUIGODITR-CJNGLKHVSA-N 2 0 338.452 -0.746 20 0 EBADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001484228153 1126531288 /nfs/dbraw/zinc/53/12/88/1126531288.db2.gz CKBGABXTWUNMHS-SUMWQHHRSA-N 2 0 340.468 -0.322 20 0 EBADRP C[C@@H]([NH2+]CCN1CCNC1=O)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001484356317 1126565129 /nfs/dbraw/zinc/56/51/29/1126565129.db2.gz KRMQAEUOBHKOAU-CABCVRRESA-N 2 0 337.468 -0.066 20 0 EBADRP CN(C)C(=O)C[NH2+]C1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001484418537 1126571858 /nfs/dbraw/zinc/57/18/58/1126571858.db2.gz OIGNJLIEPCGFJB-HNNXBMFYSA-N 2 0 339.484 -0.661 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]CC(=O)NCC(C)(C)C ZINC001484478390 1126590624 /nfs/dbraw/zinc/59/06/24/1126590624.db2.gz ONRFMFFIJHIUOM-AWEZNQCLSA-N 2 0 342.484 -0.347 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001484514481 1126600601 /nfs/dbraw/zinc/60/06/01/1126600601.db2.gz ZVBJBGUSNRVUNB-CHWSQXEVSA-N 2 0 339.440 -0.636 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC001484513146 1126600608 /nfs/dbraw/zinc/60/06/08/1126600608.db2.gz MEIBMNTVFBRYMY-ZIAGYGMSSA-N 2 0 331.482 -0.047 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CCNS(C)(=O)=O)CCC2)C1 ZINC001484660695 1126614638 /nfs/dbraw/zinc/61/46/38/1126614638.db2.gz MVCPPBGPWMOWLG-CYBMUJFWSA-N 2 0 346.497 -0.494 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCO1 ZINC001484680700 1126616432 /nfs/dbraw/zinc/61/64/32/1126616432.db2.gz PAXYCPLTNQUDFS-LSDHHAIUSA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+]1CCC(CC(=O)N2CCO[C@@H](C[NH2+]CCOCCO)C2)CC1 ZINC001484691734 1126619774 /nfs/dbraw/zinc/61/97/74/1126619774.db2.gz SMEQCTFVKVQRDH-INIZCTEOSA-N 2 0 343.468 -0.456 20 0 EBADRP CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]CCN2CCCC2=O)C1)[NH+](C)C ZINC001484695223 1126624448 /nfs/dbraw/zinc/62/44/48/1126624448.db2.gz AOSSYEGRGNJIEV-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@H](C[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001484695385 1126624453 /nfs/dbraw/zinc/62/44/53/1126624453.db2.gz CWRZRAARZOZMPR-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC001484728116 1126627009 /nfs/dbraw/zinc/62/70/09/1126627009.db2.gz YAMUQRDFQPHBPO-CHWSQXEVSA-N 2 0 341.456 -0.118 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC001484728118 1126627020 /nfs/dbraw/zinc/62/70/20/1126627020.db2.gz YAMUQRDFQPHBPO-OLZOCXBDSA-N 2 0 341.456 -0.118 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCC[NH+](C)CC(=O)NC(N)=O ZINC001484769581 1126630451 /nfs/dbraw/zinc/63/04/51/1126630451.db2.gz XRSCZIBPGBBKKP-BETUJISGSA-N 2 0 341.456 -0.166 20 0 EBADRP CC[C@H](C(=O)N(C)CCC[N@H+](C)[C@@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001484765751 1126633234 /nfs/dbraw/zinc/63/32/34/1126633234.db2.gz QGOBAYBNSQRVDL-CHWSQXEVSA-N 2 0 326.441 -0.088 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CCOCCO)C1 ZINC001484848540 1126641705 /nfs/dbraw/zinc/64/17/05/1126641705.db2.gz LGQYEUFMWNVDBV-DOTOQJQBSA-N 2 0 343.468 -0.577 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@](CO)([NH2+]CC(=O)NC2CC2)C1 ZINC001484847181 1126643985 /nfs/dbraw/zinc/64/39/85/1126643985.db2.gz NIPYJBLKKCWTIX-INIZCTEOSA-N 2 0 326.441 -0.840 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001484903366 1126651736 /nfs/dbraw/zinc/65/17/36/1126651736.db2.gz ABZSNNKUGXORRE-UONOGXRCSA-N 2 0 325.457 -0.210 20 0 EBADRP COC[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001484961830 1126656737 /nfs/dbraw/zinc/65/67/37/1126656737.db2.gz WJRRWLHUYLFZAN-LSDHHAIUSA-N 2 0 345.484 -0.477 20 0 EBADRP C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001485227094 1126682345 /nfs/dbraw/zinc/68/23/45/1126682345.db2.gz UUOUNHINYRUVKE-CHWSQXEVSA-N 2 0 341.456 -0.070 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001485705449 1126802047 /nfs/dbraw/zinc/80/20/47/1126802047.db2.gz SLNNYYWFHHUMNB-MGPQQGTHSA-N 2 0 326.441 -0.672 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001485694377 1126805658 /nfs/dbraw/zinc/80/56/58/1126805658.db2.gz HBTWHXWRAWVPQI-AVGNSLFASA-N 2 0 341.456 -0.343 20 0 EBADRP C[N@H+](CCOCCNC(=O)C1CC[NH+](C)CC1)[C@H]1CCCNC1=O ZINC001485776503 1126824251 /nfs/dbraw/zinc/82/42/51/1126824251.db2.gz KOYXRSRROOZLOJ-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12 ZINC001649078552 1126868978 /nfs/dbraw/zinc/86/89/78/1126868978.db2.gz IWLAVDSULSGZHS-DHRKEOQWSA-N 2 0 329.466 -0.394 20 0 EBADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H](C[NH2+]CCS(C)(=O)=O)C1CC1 ZINC001485833574 1126888493 /nfs/dbraw/zinc/88/84/93/1126888493.db2.gz JORAAYOJEGKURA-KBPBESRZSA-N 2 0 331.482 -0.191 20 0 EBADRP CN(C(=O)C[NH+]1CCCC1)[C@@H](C[NH2+][C@@H]1CCC(=O)NC1=O)C1CC1 ZINC001485835497 1126890467 /nfs/dbraw/zinc/89/04/67/1126890467.db2.gz YXMNUOSZJIHZBJ-KGLIPLIRSA-N 2 0 336.436 -0.286 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001485921955 1126916696 /nfs/dbraw/zinc/91/66/96/1126916696.db2.gz FPRPOVZFBMAPQL-RYUDHWBXSA-N 2 0 327.429 -0.780 20 0 EBADRP CC[C@@H]([NH2+][C@H](CO)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C(N)=O ZINC001486014987 1126966293 /nfs/dbraw/zinc/96/62/93/1126966293.db2.gz QBUIHUZUHJBZBV-WCQYABFASA-N 2 0 346.391 -0.789 20 0 EBADRP CC1CC[NH+](CC(=O)NC[C@H](CO)[NH2+][C@H]2CCCNC2=O)CC1 ZINC001486046954 1126994934 /nfs/dbraw/zinc/99/49/34/1126994934.db2.gz BYWXILFXWVCDMP-KGLIPLIRSA-N 2 0 326.441 -0.936 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]Cc2cccc(C(N)=O)c2)CC1 ZINC001486029542 1127000622 /nfs/dbraw/zinc/00/06/22/1127000622.db2.gz BAWIICSESQEVQB-MRXNPFEDSA-N 2 0 348.447 -0.306 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]CCN2CCCC2=O)C1 ZINC001486032800 1127002821 /nfs/dbraw/zinc/00/28/21/1127002821.db2.gz DEUSZSWPNDYTHY-KGLIPLIRSA-N 2 0 326.441 -0.983 20 0 EBADRP COc1cc(C[NH2+][C@@H](CO)CNC(=O)C[N@@H+]2CC[C@@H](C)C2)ccn1 ZINC001486034873 1127005100 /nfs/dbraw/zinc/00/51/00/1127005100.db2.gz VQQFMFAFEHEYNC-UKRRQHHQSA-N 2 0 336.436 -0.001 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cccc3c2OCCO3)C1 ZINC001486061335 1127010813 /nfs/dbraw/zinc/01/08/13/1127010813.db2.gz LGZNVOFASXDRHB-CABCVRRESA-N 2 0 349.431 -0.024 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001486095201 1127031992 /nfs/dbraw/zinc/03/19/92/1127031992.db2.gz HJZIUUWSYHDVFV-UONOGXRCSA-N 2 0 346.497 -0.400 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001486125326 1127041894 /nfs/dbraw/zinc/04/18/94/1127041894.db2.gz CWZXHUYDKCTCDO-GXTWGEPZSA-N 2 0 336.440 -0.617 20 0 EBADRP CN(C[C@H](O)C[NH2+]C[C@H]1CCc2ncnn21)C(=O)C[NH+]1CCCC1 ZINC001486317763 1127120420 /nfs/dbraw/zinc/12/04/20/1127120420.db2.gz QLTVEOSZWHJIKX-ZIAGYGMSSA-N 2 0 336.440 -0.730 20 0 EBADRP CN(C[C@H](O)C[NH2+][C@H]1CCCNC1=O)C(=O)CC[NH+]1CCCCC1 ZINC001486319182 1127120960 /nfs/dbraw/zinc/12/09/60/1127120960.db2.gz XKQLZVCAJYKFLW-CABCVRRESA-N 2 0 340.468 -0.450 20 0 EBADRP CN(C[C@@H](O)C[N@H+](C)CCN1CCCC1=O)C(=O)C[NH+]1CCCC1 ZINC001486356618 1127150590 /nfs/dbraw/zinc/15/05/90/1127150590.db2.gz PAXMWAZRWDTKSS-HNNXBMFYSA-N 2 0 340.468 -0.544 20 0 EBADRP C[C@H](O)CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001486356952 1127150927 /nfs/dbraw/zinc/15/09/27/1127150927.db2.gz TUXACVJOIAIAGY-LSDHHAIUSA-N 2 0 327.469 -0.006 20 0 EBADRP CCN(C)C(=O)C[NH2+]CCN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001493597176 1127183349 /nfs/dbraw/zinc/18/33/49/1127183349.db2.gz DEFNATLVTLLSJR-UHFFFAOYSA-N 2 0 342.484 -0.129 20 0 EBADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]CCCS(C)(=O)=O)C1 ZINC001486482599 1127185077 /nfs/dbraw/zinc/18/50/77/1127185077.db2.gz JYOLDDRLFLLFCA-HSBZDZAISA-N 2 0 331.482 -0.048 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)CCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001409979757 1127291794 /nfs/dbraw/zinc/29/17/94/1127291794.db2.gz RXKFAUYYZUVMCK-LSDHHAIUSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001410132466 1127598976 /nfs/dbraw/zinc/59/89/76/1127598976.db2.gz CSTPKXWLIDARBY-CQSZACIVSA-N 2 0 328.457 -0.737 20 0 EBADRP C[C@H]([NH2+]CCO)[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CCO1 ZINC001410164039 1127622809 /nfs/dbraw/zinc/62/28/09/1127622809.db2.gz XUEUMZCPOJENJH-ZFWWWQNUSA-N 2 0 339.440 -0.744 20 0 EBADRP CCNC(=O)C[NH2+][C@@H](C)[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001410151336 1127629162 /nfs/dbraw/zinc/62/91/62/1127629162.db2.gz LBTXLDYWVOCXTR-DZGCQCFKSA-N 2 0 340.468 -0.188 20 0 EBADRP CCNC(=O)C[NH2+][C@H](C)[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001410151361 1127629603 /nfs/dbraw/zinc/62/96/03/1127629603.db2.gz LBTXLDYWVOCXTR-UKRRQHHQSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001410224393 1127647547 /nfs/dbraw/zinc/64/75/47/1127647547.db2.gz YSEGUYPUSKAHQT-RRFJBIMHSA-N 2 0 340.468 -0.330 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H](O)Cn3cccn3)C2)C1 ZINC001410225964 1127648969 /nfs/dbraw/zinc/64/89/69/1127648969.db2.gz VKTDVVDKIKGMIY-KLHDSHLOSA-N 2 0 335.452 -0.320 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCC([N@H+](C)CC(=O)NC(N)=O)CC1 ZINC001410250355 1127658917 /nfs/dbraw/zinc/65/89/17/1127658917.db2.gz QCWIRYXVSZQAJU-UHFFFAOYSA-N 2 0 327.429 -0.554 20 0 EBADRP C[C@H](CN(C)C(=O)COC1CC[NH+](C)CC1)[NH2+]CC(=O)N(C)C ZINC001410480441 1127726269 /nfs/dbraw/zinc/72/62/69/1127726269.db2.gz QSZSECAKXBTSSO-CYBMUJFWSA-N 2 0 328.457 -0.378 20 0 EBADRP CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCC(C)CC1)[NH+](C)C ZINC001410749034 1127860167 /nfs/dbraw/zinc/86/01/67/1127860167.db2.gz HHYJDGDEPWCYRL-LSDHHAIUSA-N 2 0 342.484 -0.348 20 0 EBADRP CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)C(C)(C)C1)[NH+](C)C ZINC001410986419 1127961986 /nfs/dbraw/zinc/96/19/86/1127961986.db2.gz OFPKLLXRMUEBRA-DGCLKSJQSA-N 2 0 341.456 -0.406 20 0 EBADRP CN(C[C@H](O)C[NH2+]CC(=O)NCC1CC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001411000386 1127968284 /nfs/dbraw/zinc/96/82/84/1127968284.db2.gz HUSIPUYBVDCGQI-ZIAGYGMSSA-N 2 0 326.441 -0.984 20 0 EBADRP CN(C[C@@H](O)C[NH2+][C@@H]1CCCNC1=O)C(=O)C[N@H+](C)CC(C)(C)C ZINC001411105779 1128018008 /nfs/dbraw/zinc/01/80/08/1128018008.db2.gz UWDMFTSGFFVZGK-UONOGXRCSA-N 2 0 342.484 -0.348 20 0 EBADRP COc1ccc(C[NH2+]C[C@H](O)CN(C)C(=O)C23CC[NH+](CC2)C3)nn1 ZINC001411147639 1128040771 /nfs/dbraw/zinc/04/07/71/1128040771.db2.gz PJOWCDXFVMPFMS-AWEZNQCLSA-N 2 0 349.435 -0.510 20 0 EBADRP CCN1CC[C@H](N(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CCOC)C1=O ZINC001411220765 1128095147 /nfs/dbraw/zinc/09/51/47/1128095147.db2.gz IIUQXAZCQWKLIQ-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP CN(C(=O)C1(C[NH+](C)C)CC1)C1CC([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001411245089 1128103435 /nfs/dbraw/zinc/10/34/35/1128103435.db2.gz IQZFFBWKEWUSSC-UHFFFAOYSA-N 2 0 336.440 -0.471 20 0 EBADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133665 1128296459 /nfs/dbraw/zinc/29/64/59/1128296459.db2.gz KSLPMVBJWMUKMO-HUUCEWRRSA-N 2 0 349.479 -0.209 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187834506 1128355805 /nfs/dbraw/zinc/35/58/05/1128355805.db2.gz FDCUZQYDPCSHDX-CYBMUJFWSA-N 2 0 339.440 -0.492 20 0 EBADRP CN(CCOCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)[C@@H]1CCC[NH+]1C ZINC001487582924 1128375022 /nfs/dbraw/zinc/37/50/22/1128375022.db2.gz LDEMPARKSQTVGR-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001488078796 1128613633 /nfs/dbraw/zinc/61/36/33/1128613633.db2.gz VPPMJJDMRMBVDQ-ZIAGYGMSSA-N 2 0 340.468 -0.594 20 0 EBADRP C[NH+](C)CC1(C(=O)NC[C@H](CO)NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001488077294 1128611759 /nfs/dbraw/zinc/61/17/59/1128611759.db2.gz HQTYFQDXCOGVRV-ZIAGYGMSSA-N 2 0 340.468 -0.737 20 0 EBADRP CO[C@H](C)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001489080004 1128907813 /nfs/dbraw/zinc/90/78/13/1128907813.db2.gz BUCPWGUEQUNNNR-VXGBXAGGSA-N 2 0 337.424 -0.125 20 0 EBADRP CC(C)[NH+](C)CC(=O)N1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001489591624 1129021538 /nfs/dbraw/zinc/02/15/38/1129021538.db2.gz QWOIYESYPOEYNC-KGLIPLIRSA-N 2 0 328.457 -0.645 20 0 EBADRP C[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)CC(=O)NC(N)=O ZINC001490234307 1129150679 /nfs/dbraw/zinc/15/06/79/1129150679.db2.gz YQHBFYVGPGSSHK-UHFFFAOYSA-N 2 0 327.429 -0.506 20 0 EBADRP C[NH+](CC(=O)NCCC[N@@H+](C)CC(=O)NC(N)=O)CC(C)(C)C ZINC001490250844 1129153030 /nfs/dbraw/zinc/15/30/30/1129153030.db2.gz ROZGVKZZPKVADM-UHFFFAOYSA-N 2 0 329.445 -0.403 20 0 EBADRP C[C@@H](O)C[NH+]1CCN(CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001490466915 1129181521 /nfs/dbraw/zinc/18/15/21/1129181521.db2.gz LZXZMMGWYDMRQT-BZUAXINKSA-N 2 0 326.485 -0.169 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]CCCS(C)(=O)=O)C2CC2)C1 ZINC001490739028 1129251422 /nfs/dbraw/zinc/25/14/22/1129251422.db2.gz CZWJDRUUIXZFCM-UONOGXRCSA-N 2 0 331.482 -0.143 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C[C@H]1C[NH+](C)C ZINC000870021231 1129265181 /nfs/dbraw/zinc/26/51/81/1129265181.db2.gz COJRZCZNVORYJI-ZACQAIPSSA-N 3 0 337.512 -0.426 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C[C@H]1C[NH+](C)C ZINC000870021228 1129265199 /nfs/dbraw/zinc/26/51/99/1129265199.db2.gz COJRZCZNVORYJI-BRWVUGGUSA-N 3 0 337.512 -0.426 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1C[NH+](C)C ZINC000870022241 1129265210 /nfs/dbraw/zinc/26/52/10/1129265210.db2.gz ZUFRULQAFHWHRT-CHWSQXEVSA-N 2 0 348.513 -0.488 20 0 EBADRP O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12)NCC[C@H]1CCC[NH2+]CC1 ZINC001649166350 1129270899 /nfs/dbraw/zinc/27/08/99/1129270899.db2.gz CWKZFWMORORLBN-LJISPDSOSA-N 2 0 343.493 -0.095 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1(CCO)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001411744060 1129363377 /nfs/dbraw/zinc/36/33/77/1129363377.db2.gz SKEJGADSXRKRFP-AWEZNQCLSA-N 2 0 338.452 -0.744 20 0 EBADRP COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001490836505 1129623388 /nfs/dbraw/zinc/62/33/88/1129623388.db2.gz ISQMFSITIUSEDZ-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+](C)CC1(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001413083598 1129923917 /nfs/dbraw/zinc/92/39/17/1129923917.db2.gz ZNMKWNFHRHJOCQ-STQMWFEESA-N 2 0 326.441 -0.984 20 0 EBADRP CN(C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(=O)[C@H]1CCC[N@@H+]1C ZINC001413244108 1129968898 /nfs/dbraw/zinc/96/88/98/1129968898.db2.gz YAIURIADIRWBRX-UONOGXRCSA-N 2 0 338.452 -0.888 20 0 EBADRP CC[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)C1([NH+](C)C)CCC1)[NH+](C)C ZINC001413301345 1129999161 /nfs/dbraw/zinc/99/91/61/1129999161.db2.gz JJSFXLAAQHYLGH-KBPBESRZSA-N 2 0 342.484 -0.254 20 0 EBADRP CC(C)[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC001413333289 1130022312 /nfs/dbraw/zinc/02/23/12/1130022312.db2.gz MSIGHFHTVCFWRH-RRFJBIMHSA-N 2 0 342.484 -0.398 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@H]1CCC[NH+]1CCCO ZINC001413734277 1130248242 /nfs/dbraw/zinc/24/82/42/1130248242.db2.gz ZGEZAMHACBNFOI-CABCVRRESA-N 2 0 327.473 -0.622 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001490949624 1130272262 /nfs/dbraw/zinc/27/22/62/1130272262.db2.gz MVNYOVAGUAHYLL-IJLUTSLNSA-N 2 0 327.429 -0.591 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001490949625 1130272465 /nfs/dbraw/zinc/27/24/65/1130272465.db2.gz MVNYOVAGUAHYLL-SRVKXCTJSA-N 2 0 327.429 -0.591 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001490954322 1130272508 /nfs/dbraw/zinc/27/25/08/1130272508.db2.gz FEKINTNSJVBALI-JOCQHMNTSA-N 2 0 332.470 -0.742 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001491080763 1130315727 /nfs/dbraw/zinc/31/57/27/1130315727.db2.gz UNFVLTQDADFQBP-KXNHARMFSA-N 2 0 325.413 -0.981 20 0 EBADRP C[N@H+](CC(=O)NCCNC(=O)COC1CC[NH+](C)CC1)C1CCC1 ZINC001491384282 1130421618 /nfs/dbraw/zinc/42/16/18/1130421618.db2.gz QYWHPGKWUKTSNG-UHFFFAOYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC(=O)NC1CCOCC1 ZINC001491477914 1130462069 /nfs/dbraw/zinc/46/20/69/1130462069.db2.gz NNXCWYLBHGZEGB-CYBMUJFWSA-N 2 0 340.468 -0.140 20 0 EBADRP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]C[C@@H](O)Cn1cccn1 ZINC001491513035 1130478398 /nfs/dbraw/zinc/47/83/98/1130478398.db2.gz JZUMPQZMQMCISV-LSDHHAIUSA-N 2 0 335.452 -0.033 20 0 EBADRP c1cnn(-c2ccc(CN3CC[NH2+]CCNCC[NH2+]CC3)cc2)n1 ZINC001235875686 1130531492 /nfs/dbraw/zinc/53/14/92/1130531492.db2.gz SSMZJNIEXSJWKQ-UHFFFAOYSA-N 2 0 329.452 -0.148 20 0 EBADRP c1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)nc(N2CCOCC2)c1 ZINC001235874654 1130531566 /nfs/dbraw/zinc/53/15/66/1130531566.db2.gz UPLYRTSZADHBEQ-UHFFFAOYSA-N 2 0 348.495 -0.497 20 0 EBADRP CC(C)[C@H](C(=O)NCC[N@H+](C)CCN1C(=O)CCC1=O)[NH+](C)C ZINC001492405470 1130658755 /nfs/dbraw/zinc/65/87/55/1130658755.db2.gz PFAZZHIIRNEUFB-OAHLLOKOSA-N 2 0 326.441 -0.230 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001480530626 1130826832 /nfs/dbraw/zinc/82/68/32/1130826832.db2.gz LAOMROPFGZDVMA-LLVKDONJSA-N 2 0 327.429 -0.732 20 0 EBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCN1CCC([NH3+])CC1 ZINC001356621814 1130886958 /nfs/dbraw/zinc/88/69/58/1130886958.db2.gz MZNVAQJSSZQYHP-CQSZACIVSA-N 2 0 326.489 -0.655 20 0 EBADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCNCC[NH2+]CC1 ZINC001357167200 1131055849 /nfs/dbraw/zinc/05/58/49/1131055849.db2.gz UBDPUONYJWMYGF-HNNXBMFYSA-N 2 0 339.484 -0.308 20 0 EBADRP C[NH+](C)CCN1CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CC1=O ZINC001362631786 1131628803 /nfs/dbraw/zinc/62/88/03/1131628803.db2.gz NQQRNCAEZOKAFR-ZIAGYGMSSA-N 2 0 326.441 -0.936 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C[NH+](C)C ZINC001363240116 1131845011 /nfs/dbraw/zinc/84/50/11/1131845011.db2.gz PHVKDEXMNKEHDB-CHWSQXEVSA-N 2 0 339.440 -0.874 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)CS(=O)(=O)C2CC2)C[C@H]1C[NH+](C)C ZINC001364449100 1132320245 /nfs/dbraw/zinc/32/02/45/1132320245.db2.gz QXFGLOWJZCLKBD-CHWSQXEVSA-N 2 0 331.482 -0.239 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001365825215 1132820188 /nfs/dbraw/zinc/82/01/88/1132820188.db2.gz URRIOSKBRHPFHZ-MCIONIFRSA-N 2 0 331.482 -0.143 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC(N)=O)CC[C@@H]2C1)[NH+](C)C ZINC001365889238 1132868411 /nfs/dbraw/zinc/86/84/11/1132868411.db2.gz KYDRTIPBVQUCQK-FRRDWIJNSA-N 2 0 339.440 -0.698 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001366097105 1133002428 /nfs/dbraw/zinc/00/24/28/1133002428.db2.gz CXOWWGKHRRRBGQ-RYUDHWBXSA-N 2 0 327.429 -0.637 20 0 EBADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1)[NH+](C)C ZINC001366116166 1133013201 /nfs/dbraw/zinc/01/32/01/1133013201.db2.gz GSDOYMWACVKJFH-KBUPBQIOSA-N 2 0 340.468 -0.141 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC(F)(F)F)C2)C1 ZINC001366126809 1133018138 /nfs/dbraw/zinc/01/81/38/1133018138.db2.gz CZPOSYDUYMKWBD-GMTAPVOTSA-N 2 0 336.358 -0.147 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001366155477 1133030865 /nfs/dbraw/zinc/03/08/65/1133030865.db2.gz MJXCCUDFDKZHGD-GASCZTMLSA-N 2 0 340.468 -0.140 20 0 EBADRP C[C@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001366234564 1133068308 /nfs/dbraw/zinc/06/83/08/1133068308.db2.gz WYJYYMSBDXRSKY-QWHCGFSZSA-N 2 0 339.440 -0.506 20 0 EBADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001366287338 1133084820 /nfs/dbraw/zinc/08/48/20/1133084820.db2.gz NUJFUOYWCJEBAM-UONOGXRCSA-N 2 0 340.468 -0.140 20 0 EBADRP C[C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)[NH2+]CC(=O)N1CCC1 ZINC001366354994 1133109081 /nfs/dbraw/zinc/10/90/81/1133109081.db2.gz BHYCMBAGARDMSI-ZIAGYGMSSA-N 2 0 326.441 -0.719 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001366388347 1133125204 /nfs/dbraw/zinc/12/52/04/1133125204.db2.gz ANUAGVOLMAHHQB-NEPJUHHUSA-N 2 0 325.413 -0.883 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001366837096 1133311853 /nfs/dbraw/zinc/31/18/53/1133311853.db2.gz GBCDNRQRBRZIPK-QWHCGFSZSA-N 2 0 339.440 -0.506 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)CCN2CCOCC2)C1 ZINC001366844807 1133315922 /nfs/dbraw/zinc/31/59/22/1133315922.db2.gz CLPGOLNOOXARSP-AWEZNQCLSA-N 2 0 326.441 -0.717 20 0 EBADRP CN(CCN1CCN(CCn2cncn2)CC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001366852700 1133320435 /nfs/dbraw/zinc/32/04/35/1133320435.db2.gz QVFWBWZWIIXRFO-MRXNPFEDSA-N 2 0 349.483 -0.552 20 0 EBADRP CC(C)[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001366868591 1133332178 /nfs/dbraw/zinc/33/21/78/1133332178.db2.gz VBGVCCGPOBPDHK-TZMCWYRMSA-N 2 0 341.456 -0.452 20 0 EBADRP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001367018598 1133429421 /nfs/dbraw/zinc/42/94/21/1133429421.db2.gz KQRDSMPOBALMOA-UONOGXRCSA-N 2 0 329.441 -0.705 20 0 EBADRP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCN1CCCS1(=O)=O ZINC001367112463 1133478336 /nfs/dbraw/zinc/47/83/36/1133478336.db2.gz KZJRTXHXUNLULE-UONOGXRCSA-N 2 0 346.497 -0.400 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001367255655 1133516785 /nfs/dbraw/zinc/51/67/85/1133516785.db2.gz CNIHESWDPWYOCW-QWHCGFSZSA-N 2 0 338.456 -0.175 20 0 EBADRP CCN(C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001367592566 1133664854 /nfs/dbraw/zinc/66/48/54/1133664854.db2.gz RLDPARPTMQPZMB-VHDGCEQUSA-N 2 0 340.468 -0.596 20 0 EBADRP CC(C)N1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001367600925 1133677977 /nfs/dbraw/zinc/67/79/77/1133677977.db2.gz LZDBXWMRAVTEKL-ZIAGYGMSSA-N 2 0 340.468 -0.596 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCCCC2)CC1 ZINC001367604498 1133682720 /nfs/dbraw/zinc/68/27/20/1133682720.db2.gz RORBKEBVBMBCJO-HNNXBMFYSA-N 2 0 340.468 -0.593 20 0 EBADRP CO[C@H](C)C[NH2+]C[C@H](O)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001367607553 1133686791 /nfs/dbraw/zinc/68/67/91/1133686791.db2.gz ZJXFPJWYPJQKOX-OCCSQVGLSA-N 2 0 333.392 -0.018 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001367613533 1133693802 /nfs/dbraw/zinc/69/38/02/1133693802.db2.gz CMVCJALXHIISDX-CHWSQXEVSA-N 2 0 328.457 -0.690 20 0 EBADRP COc1cc(C[NH2+]C[C@H](O)CNC(=O)C[C@H]2CC[N@H+](C)C2)ccn1 ZINC001367625650 1133712909 /nfs/dbraw/zinc/71/29/09/1133712909.db2.gz REHQTNRTJXGIHB-CABCVRRESA-N 2 0 336.436 -0.001 20 0 EBADRP O=C(NC[C@@H](O)C[NH2+]C[C@@H](O)c1ccccc1)C12CC[NH+](CC1)C2 ZINC001367625645 1133713239 /nfs/dbraw/zinc/71/32/39/1133713239.db2.gz REELAJFPTYLKNJ-JKSUJKDBSA-N 2 0 333.432 -0.118 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC1CCOCC1)[NH+](C)C ZINC001367679125 1133742865 /nfs/dbraw/zinc/74/28/65/1133742865.db2.gz YZIIODBDZGSMTN-CJNGLKHVSA-N 2 0 342.484 -0.038 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001367714866 1133756866 /nfs/dbraw/zinc/75/68/66/1133756866.db2.gz DCDSHXSDNTYJJI-LSDHHAIUSA-N 2 0 342.484 -0.084 20 0 EBADRP C[C@@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)COC1CC[NH+](C)CC1 ZINC001367764580 1133776083 /nfs/dbraw/zinc/77/60/83/1133776083.db2.gz SSCJGTUCKLEYEL-GXTWGEPZSA-N 2 0 326.441 -0.530 20 0 EBADRP C[C@H]([NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1)C(=O)NC(N)=O ZINC001367906049 1133834209 /nfs/dbraw/zinc/83/42/09/1133834209.db2.gz ABOOLWUWXFQRMH-GXFFZTMASA-N 2 0 339.440 -0.604 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001367921434 1133840704 /nfs/dbraw/zinc/84/07/04/1133840704.db2.gz GDXPSSKFXKMGLB-ZDUSSCGKSA-N 2 0 339.440 -0.588 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001368000852 1133887472 /nfs/dbraw/zinc/88/74/72/1133887472.db2.gz AVKYSHWJYGKQRF-VXGBXAGGSA-N 2 0 339.440 -0.589 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+][C@H](C)C(=O)NC(N)=O)CC2)CC[N@@H+]1C ZINC001368003080 1133889294 /nfs/dbraw/zinc/88/92/94/1133889294.db2.gz ZJUSEASXPCDEGK-GRYCIOLGSA-N 2 0 339.440 -0.462 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCN([C@@H]2CC[NH+](CCCO)C2)CC1 ZINC001368146613 1133958653 /nfs/dbraw/zinc/95/86/53/1133958653.db2.gz QFRWQEHGWMUOEM-MRXNPFEDSA-N 2 0 326.485 -0.071 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CCOCC1 ZINC001368232512 1134001439 /nfs/dbraw/zinc/00/14/39/1134001439.db2.gz YCFGFNXNTNROLU-CQSZACIVSA-N 2 0 340.468 -0.153 20 0 EBADRP CCN1CC[C@@H]([N@@H+]2CC[C@](O)(CNC(=O)C[NH+](C)C(C)C)C2)C1=O ZINC001368276883 1134089521 /nfs/dbraw/zinc/08/95/21/1134089521.db2.gz QMUNUCRMCJHPDQ-PBHICJAKSA-N 2 0 340.468 -0.500 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001368395852 1134197690 /nfs/dbraw/zinc/19/76/90/1134197690.db2.gz SKQTXHJTKUKCAH-AWEZNQCLSA-N 2 0 342.484 -0.204 20 0 EBADRP CC(C)N(C)C(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001368402169 1134207192 /nfs/dbraw/zinc/20/71/92/1134207192.db2.gz XBFFKGMCOGVKSY-HUUCEWRRSA-N 2 0 342.484 -0.254 20 0 EBADRP NC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCC1 ZINC001368476785 1134246448 /nfs/dbraw/zinc/24/64/48/1134246448.db2.gz XFUTZMQOYXTLLH-GFCCVEGCSA-N 2 0 337.424 -0.848 20 0 EBADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC001368505620 1134258578 /nfs/dbraw/zinc/25/85/78/1134258578.db2.gz NBLUWAYJTQXOHL-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001368512473 1134265072 /nfs/dbraw/zinc/26/50/72/1134265072.db2.gz WTWYTWKRXVHWCX-HUUCEWRRSA-N 2 0 329.441 -0.848 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H](C[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001368518179 1134270214 /nfs/dbraw/zinc/27/02/14/1134270214.db2.gz ZUJWCXLKTKHXDW-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)C(=O)NC(N)=O ZINC001368535564 1134281207 /nfs/dbraw/zinc/28/12/07/1134281207.db2.gz HORRJOAKSBMSTG-KKOKHZNYSA-N 2 0 325.413 -0.994 20 0 EBADRP CN(CCC[N@H+](C)CCN(C)S(C)(=O)=O)C(=O)[C@H]1CCC[NH+]1C ZINC001368545443 1134284670 /nfs/dbraw/zinc/28/46/70/1134284670.db2.gz BTSPLUKNKAQDQJ-CQSZACIVSA-N 2 0 348.513 -0.248 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+][C@H]2C[C@H](CNC(=O)CC[NH+](C)C)C2)CCO1 ZINC001368577380 1134300758 /nfs/dbraw/zinc/30/07/58/1134300758.db2.gz AGROMZFSZVXVQO-KKUMJFAQSA-N 2 0 340.468 -0.330 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@](CO)([NH2+]CC(=O)NC)C1 ZINC001368613606 1134325068 /nfs/dbraw/zinc/32/50/68/1134325068.db2.gz LINFZILKYAHHTN-RHSMWYFYSA-N 2 0 340.468 -0.450 20 0 EBADRP CC[N@H+](C)CCC(=O)NC1(C[NH2+]Cc2cn(C)nn2)CCOCC1 ZINC001368633988 1134347467 /nfs/dbraw/zinc/34/74/67/1134347467.db2.gz AEUKTFLUNSFXNL-UHFFFAOYSA-N 2 0 338.456 -0.088 20 0 EBADRP CC[C@H](C(=O)NC1(C[NH2+][C@@H]2CCN(C)C2=O)CCOCC1)[NH+](C)C ZINC001368636132 1134347849 /nfs/dbraw/zinc/34/78/49/1134347849.db2.gz IGSFPRJJKRLSRM-ZIAGYGMSSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]CCS(C)(=O)=O ZINC001368651895 1134356329 /nfs/dbraw/zinc/35/63/29/1134356329.db2.gz FQUKLPSXJCXEAL-OLZOCXBDSA-N 2 0 329.466 -0.437 20 0 EBADRP CCO[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NC ZINC001368657310 1134358784 /nfs/dbraw/zinc/35/87/84/1134358784.db2.gz JSHROGSNLADJCK-RRFJBIMHSA-N 2 0 340.468 -0.473 20 0 EBADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001368664559 1134364346 /nfs/dbraw/zinc/36/43/46/1134364346.db2.gz YFNODQVEEVRHCJ-DZGCQCFKSA-N 2 0 340.468 -0.330 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CCN(C2C[NH+](C[C@H](C)O)C2)CC1 ZINC001368674944 1134371892 /nfs/dbraw/zinc/37/18/92/1134371892.db2.gz XQDNBTPCCYLKQO-GOEBONIOSA-N 2 0 344.475 -0.125 20 0 EBADRP NC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001368684737 1134385077 /nfs/dbraw/zinc/38/50/77/1134385077.db2.gz GTDPZNFRCBFUQN-KGLIPLIRSA-N 2 0 338.452 -0.568 20 0 EBADRP C[C@@H](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001368729730 1134409654 /nfs/dbraw/zinc/40/96/54/1134409654.db2.gz XYQUTDGTPKVBOS-RYUDHWBXSA-N 2 0 327.429 -0.460 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001368750071 1134416931 /nfs/dbraw/zinc/41/69/31/1134416931.db2.gz QPMACMCZKBIVMB-CYBMUJFWSA-N 2 0 341.456 -0.118 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CC(C)(C)C[NH2+][C@@H](C)C(N)=O ZINC001368922922 1134485236 /nfs/dbraw/zinc/48/52/36/1134485236.db2.gz AVQGHSBRASTTOW-KBPBESRZSA-N 2 0 342.484 -0.097 20 0 EBADRP C[C@@H](CNC(=O)Cn1ccnc1)N(C)CCN1CCCS1(=O)=O ZINC001369014278 1134519651 /nfs/dbraw/zinc/51/96/51/1134519651.db2.gz YUJDZIKTRMMBET-ZDUSSCGKSA-N 2 0 343.453 -0.645 20 0 EBADRP C[C@H](NC(=O)C[N@H+](C)C1CCC1)C1C[NH+](CCN2CCNC2=O)C1 ZINC001369085262 1134557714 /nfs/dbraw/zinc/55/77/14/1134557714.db2.gz VNMZMJONRVLNGJ-ZDUSSCGKSA-N 2 0 337.468 -0.068 20 0 EBADRP CNC(=O)C[NH2+][C@@H](C)[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001369147856 1134592581 /nfs/dbraw/zinc/59/25/81/1134592581.db2.gz CIIOOUGNWJQZHN-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CNC(=O)C[NH2+][C@@H](C)[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC001369159954 1134600343 /nfs/dbraw/zinc/60/03/43/1134600343.db2.gz OQHINEBOTADLKJ-LSDHHAIUSA-N 2 0 340.468 -0.330 20 0 EBADRP CC[C@@H](C(=O)N(C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1CC1)[NH+](C)C ZINC001369229660 1134624468 /nfs/dbraw/zinc/62/44/68/1134624468.db2.gz PEZYWRRULQNRBI-NWDGAFQWSA-N 2 0 327.429 -0.652 20 0 EBADRP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N1CCOCC1 ZINC001369241809 1134626609 /nfs/dbraw/zinc/62/66/09/1134626609.db2.gz VMUXBPMOIGWWGE-KBPBESRZSA-N 2 0 326.441 -0.624 20 0 EBADRP C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)[NH2+]CC(=O)NC(N)=O ZINC001369273299 1134636942 /nfs/dbraw/zinc/63/69/42/1134636942.db2.gz VBSMOARPBRURLU-NSHDSACASA-N 2 0 325.413 -0.754 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001369293382 1134642890 /nfs/dbraw/zinc/64/28/90/1134642890.db2.gz MTDWEIRXYOLWQD-NEPJUHHUSA-N 2 0 329.445 -0.391 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369302642 1134646182 /nfs/dbraw/zinc/64/61/82/1134646182.db2.gz JGHZCYNOMOMQRM-NWDGAFQWSA-N 2 0 327.429 -0.780 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)c1sccc1C[NH+](C)C ZINC001369341351 1134688016 /nfs/dbraw/zinc/68/80/16/1134688016.db2.gz LPDQCSOHKLFBFK-ZYHUDNBSSA-N 2 0 342.465 -0.376 20 0 EBADRP CN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)c2ccc(C[NH+](C)C)cc2)C1=O ZINC001369363486 1134716821 /nfs/dbraw/zinc/71/68/21/1134716821.db2.gz MAFWJJCQYLNHQW-CVEARBPZSA-N 2 0 348.447 -0.341 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccn(C)c(=O)c1)[NH+](C)C ZINC001369369617 1134725683 /nfs/dbraw/zinc/72/56/83/1134725683.db2.gz LHEHAKOXRGGCBU-ZBFHGGJFSA-N 2 0 338.452 -0.462 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C(C)(C)C1 ZINC001369455338 1134794482 /nfs/dbraw/zinc/79/44/82/1134794482.db2.gz IHGQFMRVJJYQAZ-NEPJUHHUSA-N 2 0 341.456 -0.263 20 0 EBADRP Cc1nn(C)cc1C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001369467179 1134813047 /nfs/dbraw/zinc/81/30/47/1134813047.db2.gz LJVHWVRPSJFFKK-DLBZAZTESA-N 2 0 349.479 -0.021 20 0 EBADRP CN(C[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)C[N@H+](C)CC(C)(C)C ZINC001369476902 1134837610 /nfs/dbraw/zinc/83/76/10/1134837610.db2.gz TXDXJOYOSKCKON-KBPBESRZSA-N 2 0 342.484 -0.396 20 0 EBADRP CN(C[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)C[N@H+](C)CC(C)(C)C ZINC001369476907 1134837995 /nfs/dbraw/zinc/83/79/95/1134837995.db2.gz TXDXJOYOSKCKON-UONOGXRCSA-N 2 0 342.484 -0.396 20 0 EBADRP COc1cc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)ccn1 ZINC001369478447 1134841922 /nfs/dbraw/zinc/84/19/22/1134841922.db2.gz CPENUEQQKWAONM-GJZGRUSLSA-N 2 0 336.436 -0.049 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001369484671 1134854513 /nfs/dbraw/zinc/85/45/13/1134854513.db2.gz QPIHNBKDZBNKGE-KGLIPLIRSA-N 2 0 342.484 -0.348 20 0 EBADRP CCS(=O)(=O)NCCN1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001369988999 1135141451 /nfs/dbraw/zinc/14/14/51/1135141451.db2.gz VWGTVGAWYZRNLZ-ZDUSSCGKSA-N 2 0 346.497 -0.400 20 0 EBADRP C[C@@H]([NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1)C(=O)NC(N)=O ZINC001370167636 1135233327 /nfs/dbraw/zinc/23/33/27/1135233327.db2.gz MHNOPWLODDUYNI-ZYHUDNBSSA-N 2 0 339.440 -0.462 20 0 EBADRP O=C(C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1)Nc1cnccn1 ZINC001370278976 1135280035 /nfs/dbraw/zinc/28/00/35/1135280035.db2.gz JSDMMGPNPNBLIT-AWEZNQCLSA-N 2 0 346.435 -0.005 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CC[C@H]([NH2+]CC(=O)NC3CC3)C2)CC1 ZINC001370404759 1135336910 /nfs/dbraw/zinc/33/69/10/1135336910.db2.gz KAZHGAYMBUOIOA-AWEZNQCLSA-N 2 0 338.452 -0.434 20 0 EBADRP CN(CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1)S(C)(=O)=O ZINC001370407865 1135339130 /nfs/dbraw/zinc/33/91/30/1135339130.db2.gz IMZOOZDHCHGJBU-ZDUSSCGKSA-N 2 0 332.470 -0.836 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001370431452 1135348041 /nfs/dbraw/zinc/34/80/41/1135348041.db2.gz STKHFAZXHZMJGZ-RYUDHWBXSA-N 2 0 325.413 -0.754 20 0 EBADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)[NH+](C)C ZINC001370520646 1135389081 /nfs/dbraw/zinc/38/90/81/1135389081.db2.gz JUNNRXCVWWSFIY-XUXIUFHCSA-N 2 0 331.482 -0.002 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001370705152 1135523438 /nfs/dbraw/zinc/52/34/38/1135523438.db2.gz CIBSLCMXFZSOKH-LSDHHAIUSA-N 2 0 340.468 -0.737 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001370715259 1135538105 /nfs/dbraw/zinc/53/81/05/1135538105.db2.gz IHPPJNPQFYHLLB-UTUOFQBUSA-N 2 0 325.413 -0.979 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC001370715752 1135538723 /nfs/dbraw/zinc/53/87/23/1135538723.db2.gz FARUYVLWTQUNHI-HZSPNIEDSA-N 2 0 338.452 -0.984 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001370749967 1135589881 /nfs/dbraw/zinc/58/98/81/1135589881.db2.gz HCARUPDRVGSXJR-ZDUSSCGKSA-N 2 0 340.468 -0.594 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CCCC[C@H]2C[NH2+]CC(N)=O)n1 ZINC001370914327 1135693974 /nfs/dbraw/zinc/69/39/74/1135693974.db2.gz WFGFPZBGBIFSFH-ZDUSSCGKSA-N 2 0 336.440 -0.486 20 0 EBADRP CN(C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)CCC[NH+](C)C ZINC001371017706 1135781034 /nfs/dbraw/zinc/78/10/34/1135781034.db2.gz GUZKDBGAJOOCKW-UONOGXRCSA-N 2 0 328.457 -0.785 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001371240874 1135870804 /nfs/dbraw/zinc/87/08/04/1135870804.db2.gz QDWRSIHKWNCEHE-NWDGAFQWSA-N 2 0 327.429 -0.589 20 0 EBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001371434009 1135909598 /nfs/dbraw/zinc/90/95/98/1135909598.db2.gz XFJRBBPVBCVVRO-KGLIPLIRSA-N 2 0 338.452 -0.528 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001371459786 1135920927 /nfs/dbraw/zinc/92/09/27/1135920927.db2.gz IDWNBECVCLCAMP-ZIAGYGMSSA-N 2 0 328.457 -0.644 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1)[NH+](C)C ZINC001371461284 1135922282 /nfs/dbraw/zinc/92/22/82/1135922282.db2.gz MUFDIHOPOHWBJY-MGPQQGTHSA-N 2 0 340.468 -0.501 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001371463028 1135923896 /nfs/dbraw/zinc/92/38/96/1135923896.db2.gz ULUPWFQEBWVBHB-RRFJBIMHSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001371467736 1135927338 /nfs/dbraw/zinc/92/73/38/1135927338.db2.gz KPTYSBDYTPVKKT-ZIAGYGMSSA-N 2 0 342.484 -0.254 20 0 EBADRP CO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)Cc1c[nH]cn1 ZINC001371516847 1135944672 /nfs/dbraw/zinc/94/46/72/1135944672.db2.gz DPSPBSJMHSMAHO-ZIAGYGMSSA-N 2 0 337.424 -0.364 20 0 EBADRP CN(CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)S(C)(=O)=O ZINC001371519966 1135946751 /nfs/dbraw/zinc/94/67/51/1135946751.db2.gz IVNSRYRSTXPYOV-QWHCGFSZSA-N 2 0 332.470 -0.838 20 0 EBADRP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001371523105 1135948675 /nfs/dbraw/zinc/94/86/75/1135948675.db2.gz YRSFVRVXZWTLDL-RBSFLKMASA-N 2 0 340.468 -0.236 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001371531771 1135955997 /nfs/dbraw/zinc/95/59/97/1135955997.db2.gz XMXSXNNAIPDJEE-KGLIPLIRSA-N 2 0 326.441 -0.888 20 0 EBADRP NC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001371612108 1135984107 /nfs/dbraw/zinc/98/41/07/1135984107.db2.gz FPLLGDYGXBJRIU-ZDUSSCGKSA-N 2 0 339.440 -0.505 20 0 EBADRP C[C@@H](CCNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001371768507 1136016858 /nfs/dbraw/zinc/01/68/58/1136016858.db2.gz GFGWRRWZCALZDG-QWHCGFSZSA-N 2 0 338.456 -0.033 20 0 EBADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)C(=O)NC(N)=O ZINC001372945422 1136333867 /nfs/dbraw/zinc/33/38/67/1136333867.db2.gz CHMQVNPRQWPSFI-OLZOCXBDSA-N 2 0 341.456 -0.118 20 0 EBADRP COC[C@H](O)C[N@@H+]1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001373238646 1136405565 /nfs/dbraw/zinc/40/55/65/1136405565.db2.gz PFBUHFRVGPULQN-LSDHHAIUSA-N 2 0 325.453 -0.082 20 0 EBADRP CN(CCNC(=O)[C@H]1CN(C)CCO1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001373389140 1136442823 /nfs/dbraw/zinc/44/28/23/1136442823.db2.gz OUDOADLRDZGWLT-LSDHHAIUSA-N 2 0 338.452 -0.767 20 0 EBADRP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]CC(=O)NC(N)=O ZINC001373805655 1136564097 /nfs/dbraw/zinc/56/40/97/1136564097.db2.gz JKJPRHZSBSBEJV-QWHCGFSZSA-N 2 0 341.456 -0.071 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@](C)(C[NH2+]CC(=O)NC(N)=O)C2CC2)C1 ZINC001373889122 1136581084 /nfs/dbraw/zinc/58/10/84/1136581084.db2.gz NHSUCTWIYAOBLD-ZBEGNZNMSA-N 2 0 339.440 -0.602 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@](C)(C[NH2+]CC(=O)NC(N)=O)C2CC2)C1 ZINC001373889116 1136581268 /nfs/dbraw/zinc/58/12/68/1136581268.db2.gz NHSUCTWIYAOBLD-BDJLRTHQSA-N 2 0 339.440 -0.602 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001373922112 1136587128 /nfs/dbraw/zinc/58/71/28/1136587128.db2.gz DQOJJZUPWNUJAP-IHRRRGAJSA-N 2 0 326.441 -0.543 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001373960027 1136593264 /nfs/dbraw/zinc/59/32/64/1136593264.db2.gz XBSPWIQPDYUEKW-OLZOCXBDSA-N 2 0 339.440 -0.493 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001374048535 1136613652 /nfs/dbraw/zinc/61/36/52/1136613652.db2.gz ZBQGQBUZFYLJMN-GFCCVEGCSA-N 2 0 330.392 -0.031 20 0 EBADRP C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)C[NH2+]Cc1ncnn1C ZINC001374092584 1136621210 /nfs/dbraw/zinc/62/12/10/1136621210.db2.gz XVFMPVSRQQIVHM-CYBMUJFWSA-N 2 0 338.456 -0.232 20 0 EBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001374111714 1136624655 /nfs/dbraw/zinc/62/46/55/1136624655.db2.gz ZDWYIARIKYHANG-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001374275665 1136663822 /nfs/dbraw/zinc/66/38/22/1136663822.db2.gz JIVJFHOPEYLDLY-RYUDHWBXSA-N 2 0 341.456 -0.391 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)NC[C@H]1CCOC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001374323457 1136673676 /nfs/dbraw/zinc/67/36/76/1136673676.db2.gz BQOCPLDFHYMBLL-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001374378696 1136680358 /nfs/dbraw/zinc/68/03/58/1136680358.db2.gz APIVBTZBJJTWNG-QWHCGFSZSA-N 2 0 341.456 -0.390 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001374385421 1136680993 /nfs/dbraw/zinc/68/09/93/1136680993.db2.gz PBAKXWBFKGVJJL-CHWSQXEVSA-N 2 0 339.440 -0.636 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001374385305 1136681039 /nfs/dbraw/zinc/68/10/39/1136681039.db2.gz OOELZXZZSKZURJ-VXGBXAGGSA-N 2 0 327.429 -0.652 20 0 EBADRP CC(C)[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001374431935 1136686847 /nfs/dbraw/zinc/68/68/47/1136686847.db2.gz PRXDJPZPELDPAF-DGCLKSJQSA-N 2 0 341.456 -0.358 20 0 EBADRP CN(CC[N@H+](C)CCn1cncn1)C(=O)COC1CC[NH+](C)CC1 ZINC001374549195 1136715175 /nfs/dbraw/zinc/71/51/75/1136715175.db2.gz SLHJNNPETJFZJU-UHFFFAOYSA-N 2 0 338.456 -0.221 20 0 EBADRP CN1CCC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001374614663 1136748327 /nfs/dbraw/zinc/74/83/27/1136748327.db2.gz HEEVHMOZFFBLOD-ZIAGYGMSSA-N 2 0 326.441 -0.842 20 0 EBADRP CC(C)N(C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001374636158 1136765466 /nfs/dbraw/zinc/76/54/66/1136765466.db2.gz XWPOGRKYWLNZIP-HUUCEWRRSA-N 2 0 342.484 -0.207 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CCCC2)C1 ZINC001374670931 1136789811 /nfs/dbraw/zinc/78/98/11/1136789811.db2.gz NFQMJONUXDMNSR-UKRRQHHQSA-N 2 0 340.468 -0.546 20 0 EBADRP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)C[NH+]2CCOCC2)on1 ZINC001374683765 1136799806 /nfs/dbraw/zinc/79/98/06/1136799806.db2.gz KAOSKMHFAFSGJG-TZMCWYRMSA-N 2 0 340.424 -0.482 20 0 EBADRP O=C(CC[NH+]1CCCCC1)NC[C@H](O)C[NH2+]Cc1cnns1 ZINC001374685607 1136800859 /nfs/dbraw/zinc/80/08/59/1136800859.db2.gz PLYJWRIABKBVBS-GFCCVEGCSA-N 2 0 327.454 -0.019 20 0 EBADRP O=C(CC[NH+]1CCCCC1)NC[C@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001374685207 1136800902 /nfs/dbraw/zinc/80/09/02/1136800902.db2.gz NVYHKQJSBZVYGP-OAHLLOKOSA-N 2 0 340.468 -0.449 20 0 EBADRP CCN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001374687470 1136802984 /nfs/dbraw/zinc/80/29/84/1136802984.db2.gz ZZGKIDFYPDIIKO-GXTWGEPZSA-N 2 0 326.441 -0.984 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC[C@H]1CCCO1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001374797884 1136835312 /nfs/dbraw/zinc/83/53/12/1136835312.db2.gz FWSMFTPJWSTLLU-MGPQQGTHSA-N 2 0 326.441 -0.530 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC(CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001374811277 1136838751 /nfs/dbraw/zinc/83/87/51/1136838751.db2.gz HQQKEXHUWSMTDE-AWEZNQCLSA-N 2 0 326.441 -0.768 20 0 EBADRP CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)COC2CC[NH+](C)CC2)C1=O ZINC001374828597 1136843775 /nfs/dbraw/zinc/84/37/75/1136843775.db2.gz MESFVLTVLQVYKL-UKRRQHHQSA-N 2 0 340.468 -0.188 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001374850222 1136853368 /nfs/dbraw/zinc/85/33/68/1136853368.db2.gz UYEDZBKLMFEHLC-ZIAGYGMSSA-N 2 0 348.513 -0.298 20 0 EBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000347958358 283217847 /nfs/dbraw/zinc/21/78/47/283217847.db2.gz FCAOXBJCKJFKMN-HNNXBMFYSA-N 2 0 341.500 -0.461 20 0 EBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000347958360 283217912 /nfs/dbraw/zinc/21/79/12/283217912.db2.gz FCAOXBJCKJFKMN-OAHLLOKOSA-N 2 0 341.500 -0.461 20 0 EBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000643577011 375910902 /nfs/dbraw/zinc/91/09/02/375910902.db2.gz YNFXLROKIJMJRF-ZIAGYGMSSA-N 2 0 325.457 -0.923 20 0 EBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000643553465 375899311 /nfs/dbraw/zinc/89/93/11/375899311.db2.gz BSXPRNNYTMWALJ-MJBXVCDLSA-N 2 0 326.441 -0.450 20 0 EBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000643558755 375901390 /nfs/dbraw/zinc/90/13/90/375901390.db2.gz XLQGIJFCGIGTRP-MELADBBJSA-N 2 0 326.441 -0.498 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000565481096 376086160 /nfs/dbraw/zinc/08/61/60/376086160.db2.gz NCZGRANJQBTTBK-MELADBBJSA-N 2 0 340.468 -0.060 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@H](C)[NH+](C)C)O1)[NH+](C)C ZINC000616488068 376102774 /nfs/dbraw/zinc/10/27/74/376102774.db2.gz BVWBNCJDWGTBBD-XDQVBPFNSA-N 2 0 328.457 -0.333 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cn1 ZINC000118883687 376114749 /nfs/dbraw/zinc/11/47/49/376114749.db2.gz ZYDHDUHQFIHJRE-CYBMUJFWSA-N 2 0 336.440 -0.207 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642758187 376081837 /nfs/dbraw/zinc/08/18/37/376081837.db2.gz XLDXKNIGSGPDLY-KBPBESRZSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CS1 ZINC000564820268 376148699 /nfs/dbraw/zinc/14/86/99/376148699.db2.gz ZMEUUGUJRMXGRC-STQMWFEESA-N 2 0 330.498 -0.052 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H]2CN(C)Cc3ccccc32)CCO1 ZINC000642789123 376153170 /nfs/dbraw/zinc/15/31/70/376153170.db2.gz QYGQDMIXMQVBLF-RCBQFDQVSA-N 2 0 346.431 -0.136 20 0 EBADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(=O)NC1C[NH2+]C1 ZINC000557262460 376167012 /nfs/dbraw/zinc/16/70/12/376167012.db2.gz KIDIEARNEFXALV-MRXNPFEDSA-N 2 0 346.431 -0.518 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000565882982 376226609 /nfs/dbraw/zinc/22/66/09/376226609.db2.gz XSPGTGYXHRWWFO-HUUCEWRRSA-N 2 0 339.484 -0.676 20 0 EBADRP CC(C)C[C@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)N1CCOCC1 ZINC000569568845 376459419 /nfs/dbraw/zinc/45/94/19/376459419.db2.gz PUTLLFFLKIYQIF-QZTJIDSGSA-N 2 0 342.528 -0.069 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000077826274 376743308 /nfs/dbraw/zinc/74/33/08/376743308.db2.gz IGRONEYGMKRBLU-OAHLLOKOSA-N 3 0 328.505 -0.633 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)n1 ZINC000153825764 376808260 /nfs/dbraw/zinc/80/82/60/376808260.db2.gz GUTHXGXOQHZFTA-AWEZNQCLSA-N 2 0 346.435 -0.144 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000561253283 376823869 /nfs/dbraw/zinc/82/38/69/376823869.db2.gz JLGQTILBDQIWKG-KRWDZBQOSA-N 2 0 340.468 -0.327 20 0 EBADRP CN1CCN(C(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000569678097 377088035 /nfs/dbraw/zinc/08/80/35/377088035.db2.gz YAJKLXHEESOIKR-JKSUJKDBSA-N 2 0 347.463 -0.493 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000572602258 377090550 /nfs/dbraw/zinc/09/05/50/377090550.db2.gz LZQWIQSBSGOAOW-OLZOCXBDSA-N 2 0 328.457 -0.155 20 0 EBADRP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N[C@@H](CO)C[NH+](C)C)cc21 ZINC000635928532 377137757 /nfs/dbraw/zinc/13/77/57/377137757.db2.gz IFKZVYGRHXVASS-CYBMUJFWSA-N 2 0 349.435 -0.044 20 0 EBADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)[C@]12CCCO2 ZINC000570203234 377217325 /nfs/dbraw/zinc/21/73/25/377217325.db2.gz YWUDEDSFSXTIAJ-MWDXBVQZSA-N 2 0 327.469 -0.089 20 0 EBADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)[C@@]12CCCO2 ZINC000570203237 377217696 /nfs/dbraw/zinc/21/76/96/377217696.db2.gz YWUDEDSFSXTIAJ-NXOAAHMSSA-N 2 0 327.469 -0.089 20 0 EBADRP CO[C@@H]1COC[C@H]1[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000570277271 377228045 /nfs/dbraw/zinc/22/80/45/377228045.db2.gz GRVLJPYXBATLKQ-RBSFLKMASA-N 2 0 329.441 -0.537 20 0 EBADRP CO[C@@H]1COC[C@H]1[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000570277282 377228244 /nfs/dbraw/zinc/22/82/44/377228244.db2.gz GRVLJPYXBATLKQ-RRFJBIMHSA-N 2 0 329.441 -0.537 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000642991391 377443035 /nfs/dbraw/zinc/44/30/35/377443035.db2.gz VNKGVPUUCDEFBB-UHFFFAOYSA-N 2 0 335.408 -0.918 20 0 EBADRP CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)C[C@@H]3C[NH2+]CCO3)C2)CC1 ZINC000601339384 377529631 /nfs/dbraw/zinc/52/96/31/377529631.db2.gz CKHJYNLPWYEWCN-CABCVRRESA-N 2 0 346.497 -0.984 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)NCC[NH+]2CC[C@@H](O)C2)C[C@H](C)O1 ZINC000636518743 377543639 /nfs/dbraw/zinc/54/36/39/377543639.db2.gz BDRSEJYNVLKQCE-QLFBSQMISA-N 2 0 328.457 -0.149 20 0 EBADRP [NH3+]Cc1ccc(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(F)c1 ZINC000595272384 377987798 /nfs/dbraw/zinc/98/77/98/377987798.db2.gz YOJWJIIZUZZQIG-GXTWGEPZSA-N 2 0 335.383 -0.262 20 0 EBADRP NC(=O)NC(=O)CC[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595910493 378035679 /nfs/dbraw/zinc/03/56/79/378035679.db2.gz ILNYXMISTJIOOH-LBPRGKRZSA-N 2 0 349.439 -0.416 20 0 EBADRP COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000595961790 378038627 /nfs/dbraw/zinc/03/86/27/378038627.db2.gz SZLZCDDGKVMBRS-CABCVRRESA-N 2 0 335.404 -0.240 20 0 EBADRP COC(=O)[C@H]1CN(C)CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000601630180 378316344 /nfs/dbraw/zinc/31/63/44/378316344.db2.gz BXYNQBILTWRYPV-AWEZNQCLSA-N 2 0 337.424 -0.379 20 0 EBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000563143431 378451700 /nfs/dbraw/zinc/45/17/00/378451700.db2.gz NAHZDGOCCUMCTJ-OLZOCXBDSA-N 2 0 327.473 -0.629 20 0 EBADRP COC[C@](C)(CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000603918142 378424952 /nfs/dbraw/zinc/42/49/52/378424952.db2.gz UZAFEYVKCKTOPB-CPUCHLNUSA-N 2 0 340.468 -0.473 20 0 EBADRP CCNC(=O)[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000604162095 378437267 /nfs/dbraw/zinc/43/72/67/378437267.db2.gz YTVDDXAVTQXAKA-QWHCGFSZSA-N 2 0 325.457 -0.021 20 0 EBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000337619600 378668500 /nfs/dbraw/zinc/66/85/00/378668500.db2.gz AYNOTNMUSUWZJO-BBRMVZONSA-N 2 0 343.472 -0.814 20 0 EBADRP CNS(=O)(=O)CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000338149961 378741256 /nfs/dbraw/zinc/74/12/56/378741256.db2.gz NLCBFBVHVGWMIV-ZIAGYGMSSA-N 2 0 346.497 -0.494 20 0 EBADRP Cn1ccnc1CN1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000339633053 378962535 /nfs/dbraw/zinc/96/25/35/378962535.db2.gz ZBHBPRXSEZBLMK-UHFFFAOYSA-N 2 0 348.451 -0.725 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC000339636362 378963863 /nfs/dbraw/zinc/96/38/63/378963863.db2.gz PKEKWGZBCMUKMK-HNNXBMFYSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@H]1C[C@@H](C[NH+]2CCN(S(=O)(=O)N3CCOCC3)CC2)CC[NH2+]1 ZINC000563435544 379020925 /nfs/dbraw/zinc/02/09/25/379020925.db2.gz HDEKQSWPCPOIEL-GJZGRUSLSA-N 2 0 346.497 -0.431 20 0 EBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@H]3CCCn4ccnc43)CCN2C1=O ZINC000563455680 379028580 /nfs/dbraw/zinc/02/85/80/379028580.db2.gz BAIDRYZCQYFSNZ-FRRDWIJNSA-N 2 0 332.408 -0.286 20 0 EBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3CCCn4ccnc43)CCN2C1=O ZINC000563455682 379029758 /nfs/dbraw/zinc/02/97/58/379029758.db2.gz BAIDRYZCQYFSNZ-RWMBFGLXSA-N 2 0 332.408 -0.286 20 0 EBADRP CC(C)(C)[N@@H+]1CCCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000563595536 379051172 /nfs/dbraw/zinc/05/11/72/379051172.db2.gz QPQYTHBQKTWBND-UHFFFAOYSA-N 2 0 325.457 -0.066 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC(C)(C)C(=O)N2CCCC2)CC1 ZINC000629605354 379074058 /nfs/dbraw/zinc/07/40/58/379074058.db2.gz KCVFRRFASFFPMY-OAHLLOKOSA-N 2 0 326.485 -0.167 20 0 EBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000627292257 379122024 /nfs/dbraw/zinc/12/20/24/379122024.db2.gz PRSAZKPWRMLIGU-HZPDHXFCSA-N 2 0 348.447 -0.620 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000629788745 379133764 /nfs/dbraw/zinc/13/37/64/379133764.db2.gz UKODMIDYYTYFAU-UHFFFAOYSA-N 2 0 340.468 -0.103 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000629816657 379157642 /nfs/dbraw/zinc/15/76/42/379157642.db2.gz OSAIKJTVZOOWJV-INIZCTEOSA-N 2 0 326.441 -0.765 20 0 EBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC000629816720 379157663 /nfs/dbraw/zinc/15/76/63/379157663.db2.gz IAFVHOFNGPPCMY-AWEZNQCLSA-N 2 0 338.452 -0.480 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000629792429 379137870 /nfs/dbraw/zinc/13/78/70/379137870.db2.gz NZHOODWAWFIJOR-AWEZNQCLSA-N 2 0 326.441 -0.493 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000629795949 379138723 /nfs/dbraw/zinc/13/87/23/379138723.db2.gz NGNPKOSDVAMVCC-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000629798891 379141988 /nfs/dbraw/zinc/14/19/88/379141988.db2.gz MKUHHTRNMCXRCK-KBPBESRZSA-N 2 0 328.457 -0.521 20 0 EBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C[NH2+]1 ZINC000627296833 379142142 /nfs/dbraw/zinc/14/21/42/379142142.db2.gz URXXAOGDAUXWMB-QLFBSQMISA-N 2 0 340.468 -0.140 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000629798978 379142884 /nfs/dbraw/zinc/14/28/84/379142884.db2.gz CSJPHWLZPBMLNZ-UHFFFAOYSA-N 2 0 340.468 -0.103 20 0 EBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627475872 379144742 /nfs/dbraw/zinc/14/47/42/379144742.db2.gz WFLPZOSNBJEZPG-CQSZACIVSA-N 2 0 326.441 -0.575 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000629815459 379155398 /nfs/dbraw/zinc/15/53/98/379155398.db2.gz ALNNJPPYAVWOBG-KRWDZBQOSA-N 2 0 340.468 -0.375 20 0 EBADRP COC[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC[NH2+]C1 ZINC000571554710 379216758 /nfs/dbraw/zinc/21/67/58/379216758.db2.gz IVZZPHAAODPXRB-WMLDXEAASA-N 2 0 340.468 -0.329 20 0 EBADRP O=C(NC[C@H]1CCCC[N@H+]1CCO)NC[C@H]1CN(C2CC2)CCO1 ZINC000458805270 379233650 /nfs/dbraw/zinc/23/36/50/379233650.db2.gz XVZAUZVZPWRHLB-CVEARBPZSA-N 2 0 340.468 -0.004 20 0 EBADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)NC[C@@H]1CN(C2CC2)CCO1 ZINC000458795270 379234910 /nfs/dbraw/zinc/23/49/10/379234910.db2.gz MTKKLFNOHMSEST-JKSUJKDBSA-N 2 0 340.468 -0.004 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000627306011 379279163 /nfs/dbraw/zinc/27/91/63/379279163.db2.gz NGBGTJMXSHHPOH-LSDHHAIUSA-N 2 0 340.468 -0.322 20 0 EBADRP C[N@H+](CCCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000627309551 379297943 /nfs/dbraw/zinc/29/79/43/379297943.db2.gz ULBOZDIUOCWTLT-INIZCTEOSA-N 2 0 348.447 -0.271 20 0 EBADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC000627311188 379300839 /nfs/dbraw/zinc/30/08/39/379300839.db2.gz PHEIQLAEOOOLHT-MRXNPFEDSA-N 2 0 348.447 -0.141 20 0 EBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627312308 379305118 /nfs/dbraw/zinc/30/51/18/379305118.db2.gz WFGDDBGBXAJJLY-KGLIPLIRSA-N 2 0 328.457 -0.343 20 0 EBADRP CCCC[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627340317 379379636 /nfs/dbraw/zinc/37/96/36/379379636.db2.gz FVUKPFMSBURXOO-UHFFFAOYSA-N 2 0 340.468 -0.009 20 0 EBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000269297654 379359073 /nfs/dbraw/zinc/35/90/73/379359073.db2.gz ORSLKOYNAYIXQQ-JKSUJKDBSA-N 3 0 333.436 -0.567 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(NC(=O)CN(C)C)cc1 ZINC000621832777 379365698 /nfs/dbraw/zinc/36/56/98/379365698.db2.gz MLMOWNGEBAMCCR-NSHDSACASA-N 2 0 335.408 -0.021 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622027454 379397873 /nfs/dbraw/zinc/39/78/73/379397873.db2.gz CLHRASCEMIIOFL-RHSMWYFYSA-N 3 0 339.484 -0.722 20 0 EBADRP Nc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)nc(N)[nH+]1 ZINC000623989313 379497154 /nfs/dbraw/zinc/49/71/54/379497154.db2.gz SFEIUSTULZHACL-STQMWFEESA-N 2 0 329.408 -0.586 20 0 EBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCCC[NH3+])CC1 ZINC000627400198 379583295 /nfs/dbraw/zinc/58/32/95/379583295.db2.gz MHJRWTCPGAZPHH-UHFFFAOYSA-N 2 0 326.441 -0.445 20 0 EBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000627412921 379585458 /nfs/dbraw/zinc/58/54/58/379585458.db2.gz XDNFQZZVJVZULL-CQSZACIVSA-N 2 0 338.452 -0.447 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000627427350 379593613 /nfs/dbraw/zinc/59/36/13/379593613.db2.gz CILNBQIGGTYTCS-ZIAGYGMSSA-N 2 0 338.452 -0.386 20 0 EBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627429024 379596065 /nfs/dbraw/zinc/59/60/65/379596065.db2.gz VGFQEVXFHXXQBE-AWEZNQCLSA-N 2 0 328.457 -0.343 20 0 EBADRP CC1CC[NH+](CCCCNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627363290 379564860 /nfs/dbraw/zinc/56/48/60/379564860.db2.gz KGBIAIFIUWVWRY-HNNXBMFYSA-N 2 0 340.468 -0.281 20 0 EBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)CCO1 ZINC000642084343 379565027 /nfs/dbraw/zinc/56/50/27/379565027.db2.gz CTYOEAKTNIHCEI-ZIAGYGMSSA-N 2 0 340.468 -0.058 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000627367011 379568130 /nfs/dbraw/zinc/56/81/30/379568130.db2.gz IBYHFDMQAKHUAQ-UHFFFAOYSA-N 2 0 326.441 -0.528 20 0 EBADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627485924 379634548 /nfs/dbraw/zinc/63/45/48/379634548.db2.gz NLFCWFVAOMHSFC-UHFFFAOYSA-N 2 0 328.457 -0.199 20 0 EBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCOCCC[NH3+])[C@@H](C)C1 ZINC000627488576 379636737 /nfs/dbraw/zinc/63/67/37/379636737.db2.gz CIGSFJUVEAIBGB-UONOGXRCSA-N 2 0 328.457 -0.343 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000627488861 379639160 /nfs/dbraw/zinc/63/91/60/379639160.db2.gz KTCFQMAWSHXTGU-UHFFFAOYSA-N 2 0 335.408 -0.788 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627499695 379643744 /nfs/dbraw/zinc/64/37/44/379643744.db2.gz WIAGISNCHBMTGP-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000627499717 379643826 /nfs/dbraw/zinc/64/38/26/379643826.db2.gz YDBZKQYWAAEVIW-RRFJBIMHSA-N 2 0 337.468 -0.909 20 0 EBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627456062 379607888 /nfs/dbraw/zinc/60/78/88/379607888.db2.gz XRTHDLCIXFUNTN-ZDUSSCGKSA-N 2 0 326.441 -0.448 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000627461428 379609438 /nfs/dbraw/zinc/60/94/38/379609438.db2.gz OZQFIJPTQMERNX-AWEZNQCLSA-N 2 0 326.441 -0.717 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000627460272 379610011 /nfs/dbraw/zinc/61/00/11/379610011.db2.gz FIFHMQVIMSULQD-LSDHHAIUSA-N 2 0 340.468 -0.452 20 0 EBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCOCC[NH2+]C)C[C@@H]1C ZINC000627462361 379611037 /nfs/dbraw/zinc/61/10/37/379611037.db2.gz RKJQPJSFOATDQB-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000627462647 379612091 /nfs/dbraw/zinc/61/20/91/379612091.db2.gz ZJLLIBJILPZWGH-CQSZACIVSA-N 2 0 326.441 -0.575 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000627463142 379612312 /nfs/dbraw/zinc/61/23/12/379612312.db2.gz OVYGKWVHFNMVST-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627468837 379614520 /nfs/dbraw/zinc/61/45/20/379614520.db2.gz FKCIAJXATZZDIT-OAHLLOKOSA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NC[C@H]3COCC[NH2+]3)C2)CC1 ZINC000627469681 379614889 /nfs/dbraw/zinc/61/48/89/379614889.db2.gz BGGXZLNRPHOEQU-CABCVRRESA-N 2 0 338.452 -0.719 20 0 EBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627473472 379623050 /nfs/dbraw/zinc/62/30/50/379623050.db2.gz NWQOPEDPLADMPC-KBPBESRZSA-N 2 0 326.441 -0.719 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)[C@@H](C)C1 ZINC000627473997 379623259 /nfs/dbraw/zinc/62/32/59/379623259.db2.gz BICXXOUBYHLMQB-MJBXVCDLSA-N 2 0 326.441 -0.720 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000631897017 379724869 /nfs/dbraw/zinc/72/48/69/379724869.db2.gz BAEQDZRGZVDQNH-AWEZNQCLSA-N 2 0 346.497 -0.495 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642222732 379744204 /nfs/dbraw/zinc/74/42/04/379744204.db2.gz YEAGCNBOOCFDKD-CQSZACIVSA-N 2 0 326.441 -0.672 20 0 EBADRP Cn1cnnc1S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000631644951 379744462 /nfs/dbraw/zinc/74/44/62/379744462.db2.gz KZFCDOQQSCSWFY-UHFFFAOYSA-N 2 0 332.474 -0.291 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000642222583 379745309 /nfs/dbraw/zinc/74/53/09/379745309.db2.gz AMKVJLDQFIGKHC-HUUCEWRRSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@H](CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](C)[NH+](C)C)O1)[NH+](C)C ZINC000495014167 379701871 /nfs/dbraw/zinc/70/18/71/379701871.db2.gz BVWBNCJDWGTBBD-LVEBTZEWSA-N 2 0 328.457 -0.333 20 0 EBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000631958382 379793191 /nfs/dbraw/zinc/79/31/91/379793191.db2.gz RHNCEAYQEPYWBJ-GJZGRUSLSA-N 2 0 347.481 -0.605 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000631957818 379763632 /nfs/dbraw/zinc/76/36/32/379763632.db2.gz ABAANXQWHLRMTA-IYBDPMFKSA-N 2 0 344.525 -0.115 20 0 EBADRP CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000631901497 379768948 /nfs/dbraw/zinc/76/89/48/379768948.db2.gz FNQQSBBZFDGISX-UHFFFAOYSA-N 2 0 332.470 -0.834 20 0 EBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3([NH3+])CCOCC3)C2)CC1 ZINC000626978862 379770551 /nfs/dbraw/zinc/77/05/51/379770551.db2.gz MDDZOLYHGKDOPF-CQSZACIVSA-N 2 0 339.484 -0.038 20 0 EBADRP C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C[NH2+]1 ZINC000626979812 379771301 /nfs/dbraw/zinc/77/13/01/379771301.db2.gz LSLDXXUSFDSOEG-BZUAXINKSA-N 2 0 339.484 -0.167 20 0 EBADRP CC[NH+](CC)CCN(CCOC)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631917462 379775262 /nfs/dbraw/zinc/77/52/62/379775262.db2.gz KQZFZUOVODTGPR-CQSZACIVSA-N 2 0 337.486 -0.405 20 0 EBADRP CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631922696 379778986 /nfs/dbraw/zinc/77/89/86/379778986.db2.gz CKOMZZHUIQCUJK-GJZGRUSLSA-N 2 0 348.513 -0.832 20 0 EBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000631925229 379780983 /nfs/dbraw/zinc/78/09/83/379780983.db2.gz QALNCBYKKNAWNI-ZDUSSCGKSA-N 2 0 336.527 -0.058 20 0 EBADRP C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631924967 379781735 /nfs/dbraw/zinc/78/17/35/379781735.db2.gz JNWMHUWAYXAPQE-HUUCEWRRSA-N 2 0 331.482 -0.032 20 0 EBADRP C[NH+](C)CCCS(=O)(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000631936002 379786225 /nfs/dbraw/zinc/78/62/25/379786225.db2.gz QEUCBQUKEQKTFP-NSHDSACASA-N 2 0 346.419 -0.306 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCOCCC[NH3+])CC1 ZINC000627215046 379840649 /nfs/dbraw/zinc/84/06/49/379840649.db2.gz FRJUYDCWQXUTBL-AWEZNQCLSA-N 2 0 341.456 -0.700 20 0 EBADRP C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)CCCN3CC[NH+](C)CC3)C2)C1 ZINC000632361951 379855341 /nfs/dbraw/zinc/85/53/41/379855341.db2.gz QTIUXHSITAJJCA-INIZCTEOSA-N 2 0 344.525 -0.019 20 0 EBADRP C[NH2+]CCOCCNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000627170968 379820707 /nfs/dbraw/zinc/82/07/07/379820707.db2.gz MPSVVYZCTSALAY-CYBMUJFWSA-N 2 0 329.445 -0.749 20 0 EBADRP COC[C@H](CNC(=O)C1([NH+](C)C)CC1)NC(=O)C1([NH+](C)C)CC1 ZINC000613789993 379879358 /nfs/dbraw/zinc/87/93/58/379879358.db2.gz YWARMGBKSQNWKA-LBPRGKRZSA-N 2 0 326.441 -0.578 20 0 EBADRP C[C@H](CNC(=O)C(=O)NCCOCCC[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000627485149 379904008 /nfs/dbraw/zinc/90/40/08/379904008.db2.gz SZVQBRCEDNPCAV-UONOGXRCSA-N 2 0 328.457 -0.295 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000633625601 379966478 /nfs/dbraw/zinc/96/64/78/379966478.db2.gz GSQJDYPPQYDURX-UHFFFAOYSA-N 2 0 338.456 -0.463 20 0 EBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633095705 379933680 /nfs/dbraw/zinc/93/36/80/379933680.db2.gz YEQJEZJILPMNPJ-IPYPFGDCSA-N 2 0 336.436 -0.729 20 0 EBADRP O=C(C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633095151 379934593 /nfs/dbraw/zinc/93/45/93/379934593.db2.gz QXBBQXUYCNUYHY-ILXRZTDVSA-N 2 0 336.436 -0.870 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C[C@H]1C[NH3+] ZINC000633107828 379942748 /nfs/dbraw/zinc/94/27/48/379942748.db2.gz AVPNLOYDRYCEHJ-KFWWJZLASA-N 2 0 340.468 -0.391 20 0 EBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000633119082 379945851 /nfs/dbraw/zinc/94/58/51/379945851.db2.gz OBZNKVMCALVDLN-MGPQQGTHSA-N 2 0 326.441 -0.496 20 0 EBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000633146449 379949369 /nfs/dbraw/zinc/94/93/69/379949369.db2.gz ORYIMHDYEVUAEQ-RBSFLKMASA-N 2 0 338.452 -0.495 20 0 EBADRP C[C@@H](C(=O)NCC1(CNC(=O)[C@H](C)[NH+](C)C)CCOCC1)[NH+](C)C ZINC000614861389 380004374 /nfs/dbraw/zinc/00/43/74/380004374.db2.gz NLOAWHPZIGNSIX-KBPBESRZSA-N 2 0 342.484 -0.084 20 0 EBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000354711542 380086158 /nfs/dbraw/zinc/08/61/58/380086158.db2.gz MAHVCNOWSYARGX-CABCVRRESA-N 2 0 338.452 -0.575 20 0 EBADRP C[NH+]1CCN(C[C@H](NC(=O)CN2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000638137901 380198529 /nfs/dbraw/zinc/19/85/29/380198529.db2.gz QKCDXTMOYCONOV-SFHVURJKSA-N 2 0 345.491 -0.004 20 0 EBADRP C[NH+]1CCN(c2ccc(CNC(=O)[C@@]3(C)C[NH2+]CCO3)cn2)CC1 ZINC000638136611 380201233 /nfs/dbraw/zinc/20/12/33/380201233.db2.gz IROFZRUBFOIRTF-QGZVFWFLSA-N 2 0 333.436 -0.172 20 0 EBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638112058 380159845 /nfs/dbraw/zinc/15/98/45/380159845.db2.gz JILVOFQFOPIKKV-QGZVFWFLSA-N 2 0 340.468 -0.199 20 0 EBADRP C[C@]1(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C[NH2+]CCO1 ZINC000638149643 380216623 /nfs/dbraw/zinc/21/66/23/380216623.db2.gz SHYWCYXNSRTYGJ-GRDNDAEWSA-N 2 0 338.452 -0.528 20 0 EBADRP CS[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@@H]1[NH+](C)C ZINC000357911759 380223588 /nfs/dbraw/zinc/22/35/88/380223588.db2.gz LCILZBBTKNWAMH-HZSPNIEDSA-N 2 0 342.509 -0.100 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@](C)(C(N)=O)C2)C1 ZINC000361556677 380321725 /nfs/dbraw/zinc/32/17/25/380321725.db2.gz JUQJZNJRWZMCLU-RHSMWYFYSA-N 2 0 340.468 -0.343 20 0 EBADRP CN1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)[C@@H](C[NH3+])C1 ZINC000564787703 380379389 /nfs/dbraw/zinc/37/93/89/380379389.db2.gz UKNMPPYVBQGXMV-AWEZNQCLSA-N 2 0 339.484 -0.532 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000565824003 380434774 /nfs/dbraw/zinc/43/47/74/380434774.db2.gz YHVHIKDLJIOSKE-LSDHHAIUSA-N 2 0 331.420 -0.446 20 0 EBADRP CC[N@H+](C)C[C@H](O)CN1CC(C(=O)NC(CC)(CC)C(N)=O)C1 ZINC000565175001 380403479 /nfs/dbraw/zinc/40/34/79/380403479.db2.gz UQQDGUSBGKLNNZ-ZDUSSCGKSA-N 2 0 328.457 -0.609 20 0 EBADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000565240574 380409889 /nfs/dbraw/zinc/40/98/89/380409889.db2.gz YQHNLYHWUWOAPR-AEGPPILISA-N 2 0 341.415 -0.192 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCSC1 ZINC000340436581 380498666 /nfs/dbraw/zinc/49/86/66/380498666.db2.gz RWZAVVKGQQYRLJ-BLLLJJGKSA-N 2 0 340.493 -0.107 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCOCC[NH2+]C)CC1=O ZINC000638578850 380520433 /nfs/dbraw/zinc/52/04/33/380520433.db2.gz SBTZGCZOQNWIDY-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340482306 380511600 /nfs/dbraw/zinc/51/16/00/380511600.db2.gz FPPROKSYLVYYMF-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000340482303 380512083 /nfs/dbraw/zinc/51/20/83/380512083.db2.gz FMOVCEKXMQLQSB-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000340489674 380516734 /nfs/dbraw/zinc/51/67/34/380516734.db2.gz ZELLWTFVLFXTTK-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000340354273 380470465 /nfs/dbraw/zinc/47/04/65/380470465.db2.gz JIRPEDJIRPEZHA-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP CC[NH+](CC)CCOCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566511732 380479951 /nfs/dbraw/zinc/47/99/51/380479951.db2.gz AWGAKHNUJHBOFK-UONOGXRCSA-N 2 0 341.456 -0.702 20 0 EBADRP CC1CC[NH+](CC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000638480539 380484105 /nfs/dbraw/zinc/48/41/05/380484105.db2.gz TXXRWYRTLTVDNP-UHFFFAOYSA-N 2 0 337.468 -0.112 20 0 EBADRP CN(CCN1CCOCC1)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000340512429 380524425 /nfs/dbraw/zinc/52/44/25/380524425.db2.gz VFDAELVTBRRJTN-AWEZNQCLSA-N 2 0 338.452 -0.623 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000638601785 380531437 /nfs/dbraw/zinc/53/14/37/380531437.db2.gz HGMWAJSUYULGGD-HNNXBMFYSA-N 2 0 340.468 -0.201 20 0 EBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000567837757 380548378 /nfs/dbraw/zinc/54/83/78/380548378.db2.gz WUSPCBJEWNNVKF-QWHCGFSZSA-N 2 0 348.451 -0.054 20 0 EBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@]3(c4ccccc4)CC[NH2+]C3)CCN2C1=O ZINC000568109014 380573643 /nfs/dbraw/zinc/57/36/43/380573643.db2.gz WKJCODWJQGRFOU-HDMKZQKVSA-N 2 0 328.416 -0.312 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)n1 ZINC000568190899 380581612 /nfs/dbraw/zinc/58/16/12/380581612.db2.gz SLUUKKMKXJPPCO-AWEZNQCLSA-N 2 0 336.440 -0.486 20 0 EBADRP O=C(C(=O)N1CCNC[C@H]1c1cccnc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000568381943 380597286 /nfs/dbraw/zinc/59/72/86/380597286.db2.gz ZMJCINOHYXWWGC-CVEARBPZSA-N 2 0 343.431 -0.139 20 0 EBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC3CC[NH+](CC4CC4)CC3)CCN2C1=O ZINC000568534909 380608307 /nfs/dbraw/zinc/60/83/07/380608307.db2.gz LEOYVZZCNFCDBW-HUUCEWRRSA-N 2 0 335.452 -0.186 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000572842075 380647447 /nfs/dbraw/zinc/64/74/47/380647447.db2.gz PSFDPTLCYVJMBA-IGQOVBAYSA-N 2 0 328.457 -0.156 20 0 EBADRP COC[C@@]1(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCC[NH2+]1 ZINC000568975565 380623252 /nfs/dbraw/zinc/62/32/52/380623252.db2.gz KTGVGUILURPPAI-INIZCTEOSA-N 3 0 329.489 -0.110 20 0 EBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000573347255 380669582 /nfs/dbraw/zinc/66/95/82/380669582.db2.gz HTKQSINACCDSQP-HNNXBMFYSA-N 2 0 338.452 -0.432 20 0 EBADRP C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000573565009 380677872 /nfs/dbraw/zinc/67/78/72/380677872.db2.gz PSRCLMHPTUSRND-ZWNOBZJWSA-N 2 0 326.422 -0.140 20 0 EBADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000573570028 380678381 /nfs/dbraw/zinc/67/83/81/380678381.db2.gz PTSGNDCOSPVUOX-ILXRZTDVSA-N 2 0 338.452 -0.530 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000573091005 380658131 /nfs/dbraw/zinc/65/81/31/380658131.db2.gz SSXDAJDBTUSTHH-ZNMIVQPWSA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH+](C)C1CCN(CCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000573124048 380660431 /nfs/dbraw/zinc/66/04/31/380660431.db2.gz SFDOWLBAFLTTLO-CQSZACIVSA-N 2 0 349.483 -0.214 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2C[NH2+]CCN2C)C1 ZINC000580539383 380767133 /nfs/dbraw/zinc/76/71/33/380767133.db2.gz JJMJMJKMHYISCD-GJZGRUSLSA-N 2 0 327.473 -0.454 20 0 EBADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000575195940 380734355 /nfs/dbraw/zinc/73/43/55/380734355.db2.gz AIZFTDCGONDNEC-KFWWJZLASA-N 2 0 338.452 -0.450 20 0 EBADRP CC[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC[N@@H+]1C[C@H](C)O ZINC000576808631 380785440 /nfs/dbraw/zinc/78/54/40/380785440.db2.gz HTVLYJDFMWJYIY-ZNMIVQPWSA-N 2 0 327.473 -0.623 20 0 EBADRP CC(C)([NH3+])CNC(=O)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000627413841 380798666 /nfs/dbraw/zinc/79/86/66/380798666.db2.gz YEDAICKJXDNISQ-AWEZNQCLSA-N 2 0 349.435 -0.748 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000417432137 380886553 /nfs/dbraw/zinc/88/65/53/380886553.db2.gz SHHYYVKUYCWQPQ-KBPBESRZSA-N 2 0 325.457 -0.020 20 0 EBADRP C[C@@H](CNC(=O)N1CCC([N@H+](C)CCO)CC1)N1CCOCC1 ZINC000161823000 380905552 /nfs/dbraw/zinc/90/55/52/380905552.db2.gz PLSYSNALBCHDHW-AWEZNQCLSA-N 2 0 328.457 -0.195 20 0 EBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000579353988 380984450 /nfs/dbraw/zinc/98/44/50/380984450.db2.gz NSGMDSMLQYPXAA-KGLIPLIRSA-N 3 0 341.500 -0.287 20 0 EBADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)CC1 ZINC000610250439 381068254 /nfs/dbraw/zinc/06/82/54/381068254.db2.gz KKRFMMRTRLUOCK-OAHLLOKOSA-N 2 0 349.479 -0.316 20 0 EBADRP CC(C)(C)[NH+]1CCC(NC(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000580881862 381040037 /nfs/dbraw/zinc/04/00/37/381040037.db2.gz DKOSESUADDMYEL-UHFFFAOYSA-N 2 0 325.457 -0.020 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC(=O)N2CCc3ccccc32)CC1 ZINC000581543417 381082674 /nfs/dbraw/zinc/08/26/74/381082674.db2.gz FPULOTAFRQTQOF-INIZCTEOSA-N 2 0 332.448 -0.226 20 0 EBADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](O)CN2CCOCC2)CC1 ZINC000581543406 381083122 /nfs/dbraw/zinc/08/31/22/381083122.db2.gz FDWALIMHRMFTOI-SJORKVTESA-N 2 0 328.501 -0.457 20 0 EBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000642439963 381094221 /nfs/dbraw/zinc/09/42/21/381094221.db2.gz UAPBBXLPXPLJBG-ZIAGYGMSSA-N 2 0 326.441 -0.528 20 0 EBADRP CC(C)[C@H](C[NH2+]C[C@H](O)CN1CCOCC1)N1CC[NH+](C)CC1 ZINC000583199401 381109546 /nfs/dbraw/zinc/10/95/46/381109546.db2.gz NMVFJRLCMIQLMO-IRXDYDNUSA-N 2 0 328.501 -0.459 20 0 EBADRP CNC(=O)[C@H](C)C[NH+](C)CC1(C[N@@H+](C)C[C@@H](C)C(=O)NC)COC1 ZINC000182211529 381076040 /nfs/dbraw/zinc/07/60/40/381076040.db2.gz RVUZOKUITBJJIM-ZIAGYGMSSA-N 2 0 342.484 -0.369 20 0 EBADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)ccn1 ZINC000584731852 381205398 /nfs/dbraw/zinc/20/53/98/381205398.db2.gz UXPSJSOUELNWBS-ZDUSSCGKSA-N 2 0 335.408 -0.884 20 0 EBADRP COC[C@]1(CNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CCC[NH2+]1 ZINC000418640991 381253583 /nfs/dbraw/zinc/25/35/83/381253583.db2.gz RMCWAFQVGCUTAS-GOEBONIOSA-N 2 0 328.457 -0.099 20 0 EBADRP [NH3+]CC(=O)NCC(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000347688494 381254978 /nfs/dbraw/zinc/25/49/78/381254978.db2.gz MXATVZHHMHSHEO-UHFFFAOYSA-N 2 0 334.420 -0.096 20 0 EBADRP O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)NC[C@@H]1C[NH2+]CCO1 ZINC000418757156 381261488 /nfs/dbraw/zinc/26/14/88/381261488.db2.gz DJWRYHHSRWMPEL-ULQDDVLXSA-N 2 0 348.447 -0.091 20 0 EBADRP CC1CC[NH+](C[C@H](O)CNC(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000418760233 381263876 /nfs/dbraw/zinc/26/38/76/381263876.db2.gz JWKIRLTXNJAJOV-HUUCEWRRSA-N 2 0 327.473 -0.718 20 0 EBADRP OC[C@@H]1CSCC[NH+]1CCOCC[N@H+]1CCSC[C@H]1CO ZINC000347494772 381224093 /nfs/dbraw/zinc/22/40/93/381224093.db2.gz XLTFEYLTXFUELM-ZIAGYGMSSA-N 2 0 336.523 -0.178 20 0 EBADRP CCC[NH2+]CCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000418478879 381241612 /nfs/dbraw/zinc/24/16/12/381241612.db2.gz XUVJJHOHULCYNM-CQSZACIVSA-N 2 0 325.457 -0.066 20 0 EBADRP C[C@@]1(CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCC[NH2+]C1 ZINC000418547436 381243426 /nfs/dbraw/zinc/24/34/26/381243426.db2.gz RLIAKQVSEHYHFU-XJKSGUPXSA-N 2 0 325.457 -0.127 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000418604850 381249833 /nfs/dbraw/zinc/24/98/33/381249833.db2.gz SCTDOHZETHWXRE-OLZOCXBDSA-N 2 0 325.457 -0.021 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000418828148 381287267 /nfs/dbraw/zinc/28/72/67/381287267.db2.gz FJEZTUAGVVTQAD-UHFFFAOYSA-N 2 0 328.457 -0.281 20 0 EBADRP CO[C@@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)[C@H](C[NH3+])C1 ZINC000418833979 381289149 /nfs/dbraw/zinc/28/91/49/381289149.db2.gz LLWFZVNYQSJKMI-UONOGXRCSA-N 2 0 340.468 -0.058 20 0 EBADRP CN(C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347960561 381298185 /nfs/dbraw/zinc/29/81/85/381298185.db2.gz HTCWFLFKFBIDNL-GJZGRUSLSA-N 2 0 337.468 -0.957 20 0 EBADRP [NH3+]CCNC(=O)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000418791160 381274243 /nfs/dbraw/zinc/27/42/43/381274243.db2.gz YIOIHVNDFQSYFQ-UHFFFAOYSA-N 2 0 347.463 -0.220 20 0 EBADRP CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000418881648 381330616 /nfs/dbraw/zinc/33/06/16/381330616.db2.gz XTBKAQIHDVUENY-AAEUAGOBSA-N 2 0 326.441 -0.184 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000418926495 381342335 /nfs/dbraw/zinc/34/23/35/381342335.db2.gz RKDZNDCMMYHTQY-RRFJBIMHSA-N 2 0 340.468 -0.345 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)C1 ZINC000418923850 381340690 /nfs/dbraw/zinc/34/06/90/381340690.db2.gz OMJLXQBIPQRKNE-RBSFLKMASA-N 2 0 340.468 -0.345 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000418922814 381341345 /nfs/dbraw/zinc/34/13/45/381341345.db2.gz NCDVZJAVYPACPU-KGLIPLIRSA-N 2 0 326.441 -0.687 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)C1 ZINC000418923849 381341597 /nfs/dbraw/zinc/34/15/97/381341597.db2.gz OMJLXQBIPQRKNE-KFWWJZLASA-N 2 0 340.468 -0.345 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])C1 ZINC000418909999 381344426 /nfs/dbraw/zinc/34/44/26/381344426.db2.gz AVZBSHZZFVWATF-AWEZNQCLSA-N 2 0 342.484 -0.097 20 0 EBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000418911025 381344969 /nfs/dbraw/zinc/34/49/69/381344969.db2.gz BKEQAKIKMJRBTP-KBPBESRZSA-N 2 0 328.457 -0.569 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000418932824 381345058 /nfs/dbraw/zinc/34/50/58/381345058.db2.gz ALYXJLNGUDMFJI-MRXNPFEDSA-N 2 0 348.447 -0.189 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000418913408 381346356 /nfs/dbraw/zinc/34/63/56/381346356.db2.gz DVDHQXGJHCQPMR-UONOGXRCSA-N 2 0 326.441 -0.720 20 0 EBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000418917069 381347477 /nfs/dbraw/zinc/34/74/77/381347477.db2.gz HWXKDLGBODMTQA-LSDHHAIUSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000418953196 381348889 /nfs/dbraw/zinc/34/88/89/381348889.db2.gz LAXSUKDOBZLMBE-CYBMUJFWSA-N 2 0 349.435 -0.542 20 0 EBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419025774 381355678 /nfs/dbraw/zinc/35/56/78/381355678.db2.gz MWORHTXDABEDKU-ILXRZTDVSA-N 2 0 340.468 -0.282 20 0 EBADRP [NH3+]CCN(CCO)C(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000418993679 381359757 /nfs/dbraw/zinc/35/97/57/381359757.db2.gz AUCVKSPGWXGTTE-UHFFFAOYSA-N 2 0 348.447 -0.322 20 0 EBADRP CN(C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000419231534 381407495 /nfs/dbraw/zinc/40/74/95/381407495.db2.gz SBHQDLCUKCXFGB-KKUMJFAQSA-N 2 0 338.452 -0.842 20 0 EBADRP C[NH+](C)CC[C@H](NC(=O)C(=O)NCCN1CC[NH2+]CC1)C(C)(C)C ZINC000419142437 381395513 /nfs/dbraw/zinc/39/55/13/381395513.db2.gz YANKALXODNMNRZ-AWEZNQCLSA-N 2 0 341.500 -0.510 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[NH+]1CCC(C)CC1 ZINC000419144059 381395838 /nfs/dbraw/zinc/39/58/38/381395838.db2.gz FDKZUOXPDVGQLU-KBPBESRZSA-N 2 0 326.441 -0.672 20 0 EBADRP CC(C)[C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[NH+]1CCC(C)CC1 ZINC000419374936 381423823 /nfs/dbraw/zinc/42/38/23/381423823.db2.gz QPFZBGYULAZQKO-HNNXBMFYSA-N 2 0 342.484 -0.361 20 0 EBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000419413121 381431281 /nfs/dbraw/zinc/43/12/81/381431281.db2.gz RRJNCTNXZSUHBX-ZIAGYGMSSA-N 2 0 326.441 -0.671 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000419540765 381450535 /nfs/dbraw/zinc/45/05/35/381450535.db2.gz QXQCFXDTJIWIRE-CABCVRRESA-N 2 0 340.468 -0.199 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)C1CC1 ZINC000419520907 381443554 /nfs/dbraw/zinc/44/35/54/381443554.db2.gz ISLPCJJAOQYWPB-YPMHNXCESA-N 2 0 326.441 -0.184 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000419536349 381451113 /nfs/dbraw/zinc/45/11/13/381451113.db2.gz LYDTXQOQYANONU-MELADBBJSA-N 2 0 326.441 -0.591 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419533864 381447923 /nfs/dbraw/zinc/44/79/23/381447923.db2.gz JLMUTMWTIBQJGG-KGLIPLIRSA-N 2 0 326.441 -0.447 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000419726514 381480875 /nfs/dbraw/zinc/48/08/75/381480875.db2.gz KFIDVGYNRUKAST-ZDUSSCGKSA-N 2 0 326.441 -0.399 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000419547203 381452479 /nfs/dbraw/zinc/45/24/79/381452479.db2.gz RFHPSRCYQKDRAC-HZSPNIEDSA-N 2 0 326.441 -0.578 20 0 EBADRP C[C@H](NC(=O)C(=O)NCCN1CC[NH2+]CC1)C(C)(C)C[NH+](C)C ZINC000419554350 381453901 /nfs/dbraw/zinc/45/39/01/381453901.db2.gz ZNDYVVYBAOBNAH-ZDUSSCGKSA-N 2 0 327.473 -0.900 20 0 EBADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C[C@@H]1C[NH3+] ZINC000419590181 381459656 /nfs/dbraw/zinc/45/96/56/381459656.db2.gz SZHWYAMFUHTTQM-WWGRRREGSA-N 2 0 342.509 -0.017 20 0 EBADRP CC(C)[NH+](CCCNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)C(C)C ZINC000419662139 381465681 /nfs/dbraw/zinc/46/56/81/381465681.db2.gz GXTLVDIJYNHNEW-CQSZACIVSA-N 2 0 328.457 -0.284 20 0 EBADRP CC(C)(CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)C[NH+]1CCCC1 ZINC000419660469 381466549 /nfs/dbraw/zinc/46/65/49/381466549.db2.gz CBZZCQBRCKGCGD-ZDUSSCGKSA-N 2 0 326.441 -0.589 20 0 EBADRP CC(C)[NH+](CCNC(=O)C(=O)NCCCN1CC[NH2+]CC1)C(C)C ZINC000419852107 381507469 /nfs/dbraw/zinc/50/74/69/381507469.db2.gz KLBULPAFVUMQJR-UHFFFAOYSA-N 2 0 341.500 -0.367 20 0 EBADRP C[NH2+]CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(OC)c1 ZINC000419867186 381513750 /nfs/dbraw/zinc/51/37/50/381513750.db2.gz CIMJOMVRMSHTLK-UHFFFAOYSA-N 2 0 336.436 -0.079 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000419728264 381489405 /nfs/dbraw/zinc/48/94/05/381489405.db2.gz MNUJDKKZFJKRJA-UONOGXRCSA-N 2 0 326.441 -0.543 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CCCO1 ZINC000419729704 381491419 /nfs/dbraw/zinc/49/14/19/381491419.db2.gz IOVGXENWHFVDEZ-CABCVRRESA-N 2 0 338.452 -0.304 20 0 EBADRP CCCN(C(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1)[C@@H]1CC[NH2+]C1 ZINC000419736275 381492084 /nfs/dbraw/zinc/49/20/84/381492084.db2.gz XBIMPSYCOOOUIO-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417885221 381492529 /nfs/dbraw/zinc/49/25/29/381492529.db2.gz YAOIXASPUVOWDK-IPYPFGDCSA-N 2 0 337.468 -0.034 20 0 EBADRP C[NH2+]CCCNC(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000419838977 381502606 /nfs/dbraw/zinc/50/26/06/381502606.db2.gz ACDYETCPHHRHAR-UHFFFAOYSA-N 2 0 335.408 -0.536 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420092990 381537876 /nfs/dbraw/zinc/53/78/76/381537876.db2.gz PALLSGLHBKJEPD-CYBMUJFWSA-N 2 0 326.441 -0.447 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000420098644 381540790 /nfs/dbraw/zinc/54/07/90/381540790.db2.gz AZJZKBYFRJQVNS-CABCVRRESA-N 2 0 342.484 -0.083 20 0 EBADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCC2([NH3+])CCC2)C[C@H](C)O1 ZINC000420098263 381541002 /nfs/dbraw/zinc/54/10/02/381541002.db2.gz WVKXUGAFNSJWSJ-STQMWFEESA-N 2 0 326.441 -0.401 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C[C@@H](C)O1 ZINC000420144643 381543983 /nfs/dbraw/zinc/54/39/83/381543983.db2.gz NLUMBWKJHVVBDO-KBUPBQIOSA-N 2 0 340.468 -0.284 20 0 EBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000419982337 381525653 /nfs/dbraw/zinc/52/56/53/381525653.db2.gz SVNYCZRSEJJWCD-AWEZNQCLSA-N 2 0 340.468 -0.471 20 0 EBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000419997088 381527107 /nfs/dbraw/zinc/52/71/07/381527107.db2.gz LKIOEKMJGGADDW-HIFRSBDPSA-N 2 0 340.468 -0.202 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC2)c1 ZINC000419998911 381527650 /nfs/dbraw/zinc/52/76/50/381527650.db2.gz NREVTTCQGUZRCT-CQSZACIVSA-N 2 0 349.435 -0.162 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000419997092 381527879 /nfs/dbraw/zinc/52/78/79/381527879.db2.gz LKIOEKMJGGADDW-UKRRQHHQSA-N 2 0 340.468 -0.202 20 0 EBADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000420028587 381532647 /nfs/dbraw/zinc/53/26/47/381532647.db2.gz DWQQDGLZUDYDCS-CHWSQXEVSA-N 2 0 326.441 -0.230 20 0 EBADRP CC(C)[NH+]1CCN(CCC[N@H+](C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000420301933 381579387 /nfs/dbraw/zinc/57/93/87/381579387.db2.gz WBRUHNGKQGZDBY-UHFFFAOYSA-N 3 0 325.501 -0.234 20 0 EBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[NH2+]CCOC ZINC000420180845 381562202 /nfs/dbraw/zinc/56/22/02/381562202.db2.gz HOFFCEQXQRNPED-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420199632 381568566 /nfs/dbraw/zinc/56/85/66/381568566.db2.gz WTTAPMJBYFUEMK-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H]1CC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1C[NH3+] ZINC000420402258 381584214 /nfs/dbraw/zinc/58/42/14/381584214.db2.gz JXVQWJQTEOFMHF-RYUDHWBXSA-N 2 0 334.424 -0.650 20 0 EBADRP CN1CC[NH2+]C[C@@H]1CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000420445396 381587258 /nfs/dbraw/zinc/58/72/58/381587258.db2.gz ADJCXTBTWNXIQL-CQSZACIVSA-N 2 0 326.466 -0.070 20 0 EBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CCO1 ZINC000643483371 381610099 /nfs/dbraw/zinc/61/00/99/381610099.db2.gz YWMNIBVNDJLCQC-HIFRSBDPSA-N 2 0 338.452 -0.352 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000571746916 381617446 /nfs/dbraw/zinc/61/74/46/381617446.db2.gz VWIHIZWNWFWRAN-QGZVFWFLSA-N 3 0 341.500 -0.556 20 0 EBADRP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000571783571 381619967 /nfs/dbraw/zinc/61/99/67/381619967.db2.gz HLOWYMLAXXMKON-OAHLLOKOSA-N 2 0 339.484 -0.804 20 0 EBADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC2)CCO1 ZINC000351554481 381643843 /nfs/dbraw/zinc/64/38/43/381643843.db2.gz IPQFTKSNLCRLJS-UKRRQHHQSA-N 2 0 338.452 -0.434 20 0 EBADRP CCOCC[N@@H+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@H]1CC ZINC000351555105 381643934 /nfs/dbraw/zinc/64/39/34/381643934.db2.gz KLTKURLGMZJPPL-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000572258124 381654818 /nfs/dbraw/zinc/65/48/18/381654818.db2.gz KJHHARLWWAHRHC-INIZCTEOSA-N 2 0 330.432 -0.150 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000351676598 381661944 /nfs/dbraw/zinc/66/19/44/381661944.db2.gz UTDXPGBNPPOTEL-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000572228467 381652016 /nfs/dbraw/zinc/65/20/16/381652016.db2.gz XKIJWRHIVHUCEN-GJZGRUSLSA-N 3 0 341.500 -0.558 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000331642099 381719051 /nfs/dbraw/zinc/71/90/51/381719051.db2.gz NGGYJJUXQFFETP-XDQVBPFNSA-N 2 0 338.452 -0.089 20 0 EBADRP CCN(CC)C(=O)CN1CCCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000081395785 381767787 /nfs/dbraw/zinc/76/77/87/381767787.db2.gz AJUHXEZVZLALGP-OAHLLOKOSA-N 2 0 340.468 -0.280 20 0 EBADRP Cn1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(=O)n(C)c1=O ZINC000537694422 381900001 /nfs/dbraw/zinc/90/00/01/381900001.db2.gz KPEIAZSEBTZCFP-QLFBSQMISA-N 2 0 336.436 -0.233 20 0 EBADRP Cn1cc(C[N@@H+]2CCO[C@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(=O)n(C)c1=O ZINC000537694419 381900594 /nfs/dbraw/zinc/90/05/94/381900594.db2.gz KPEIAZSEBTZCFP-ILXRZTDVSA-N 2 0 336.436 -0.233 20 0 EBADRP C[C@@H]1CN(C(=O)NC[C@H]2C[NH+](C)CCN2C)CC[N@@H+]1CC(C)(C)O ZINC000333256877 381901690 /nfs/dbraw/zinc/90/16/90/381901690.db2.gz LJZXUSQGMCKQDC-CABCVRRESA-N 2 0 341.500 -0.281 20 0 EBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000643500356 381906835 /nfs/dbraw/zinc/90/68/35/381906835.db2.gz IRUQDBOZHSQERS-UONOGXRCSA-N 2 0 326.441 -0.496 20 0 EBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000627397136 381926610 /nfs/dbraw/zinc/92/66/10/381926610.db2.gz FMSHYLZTLAWIHG-CABCVRRESA-N 2 0 334.420 -0.490 20 0 EBADRP CC[C@@H]1CN(C(=O)C(=O)N(CCOC)CC[NH+](C)C)CC[C@H]1[NH3+] ZINC000643511241 381962615 /nfs/dbraw/zinc/96/26/15/381962615.db2.gz ZJJBCANNYKGLRG-ZIAGYGMSSA-N 2 0 328.457 -0.391 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC[NH2+]1 ZINC000643513542 381994953 /nfs/dbraw/zinc/99/49/53/381994953.db2.gz LKTVHJSXAIOKIQ-GJZGRUSLSA-N 2 0 337.468 -0.955 20 0 EBADRP CNS(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)o1 ZINC000103212470 382035353 /nfs/dbraw/zinc/03/53/53/382035353.db2.gz IDWRQFZLMZBGSH-UHFFFAOYSA-N 2 0 346.453 -0.247 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000332981542 382180862 /nfs/dbraw/zinc/18/08/62/382180862.db2.gz OCMYLGUINQLDCN-HOTGVXAUSA-N 2 0 339.484 -0.404 20 0 EBADRP CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000629507946 382131026 /nfs/dbraw/zinc/13/10/26/382131026.db2.gz LIGCCXPQPHBCLW-CYBMUJFWSA-N 2 0 332.470 -0.978 20 0 EBADRP C[C@H](C[NH+](C)C)NC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000353323799 382138059 /nfs/dbraw/zinc/13/80/59/382138059.db2.gz DSQFKEQAHHCUEL-OAHLLOKOSA-N 2 0 329.489 -0.374 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2c[nH+]ccc2N)cn1 ZINC000444270246 382146362 /nfs/dbraw/zinc/14/63/62/382146362.db2.gz OARXUQPGRPJDBG-UHFFFAOYSA-N 2 0 331.380 -0.379 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)CC ZINC000340135396 285243621 /nfs/dbraw/zinc/24/36/21/285243621.db2.gz RLOOFKMJVJGQLB-CQSZACIVSA-N 2 0 348.513 -0.200 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000343337740 285243656 /nfs/dbraw/zinc/24/36/56/285243656.db2.gz KPJWCVHVAKWTMP-OLZOCXBDSA-N 2 0 339.440 -0.541 20 0 EBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC[NH+](C)CCOC)[C@@H](C)C1 ZINC000358553469 285365079 /nfs/dbraw/zinc/36/50/79/285365079.db2.gz BHRFOTHRLFYWLL-LSDHHAIUSA-N 2 0 342.484 -0.131 20 0 EBADRP O=C(Cn1cnnn1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299620995 155163453 /nfs/dbraw/zinc/16/34/53/155163453.db2.gz ZREILMDURVJKGZ-UHFFFAOYSA-N 2 0 330.396 -0.603 20 0 EBADRP COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CC(=O)N2CCN(C)CC2)C1 ZINC000330632168 155294470 /nfs/dbraw/zinc/29/44/70/155294470.db2.gz QOJHIODBNVBKIH-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000331440859 155369471 /nfs/dbraw/zinc/36/94/71/155369471.db2.gz VQMZWMUJNZAUSV-HNNXBMFYSA-N 2 0 338.452 -0.432 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCSC1 ZINC000331605320 155384442 /nfs/dbraw/zinc/38/44/42/155384442.db2.gz HZSNTJUTYYMQID-BBRMVZONSA-N 2 0 340.493 -0.154 20 0 EBADRP C[NH+](C)Cc1ccc(S(=O)(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000261727815 154197434 /nfs/dbraw/zinc/19/74/34/154197434.db2.gz RXHFAMSTFKDOPZ-UHFFFAOYSA-N 2 0 326.466 -0.068 20 0 EBADRP C[NH+]1CCN(c2ncccc2CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000261910968 154204899 /nfs/dbraw/zinc/20/48/99/154204899.db2.gz XNKRRKCVACYYJO-CABCVRRESA-N 2 0 333.436 -0.044 20 0 EBADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000262056180 154210610 /nfs/dbraw/zinc/21/06/10/154210610.db2.gz ISEOIKBQCDUAAS-UHFFFAOYSA-N 2 0 332.470 -0.836 20 0 EBADRP CS(=O)(=O)NC[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000262107885 154213287 /nfs/dbraw/zinc/21/32/87/154213287.db2.gz MMFWBEJKWIKJKV-ZDUSSCGKSA-N 2 0 332.470 -0.931 20 0 EBADRP Cc1cccc(N2CC[NH+](CCCNC(=O)CNC(=O)C[NH3+])CC2)c1 ZINC000262180783 154216979 /nfs/dbraw/zinc/21/69/79/154216979.db2.gz SBENMVHWXNKFTE-UHFFFAOYSA-N 2 0 347.463 -0.302 20 0 EBADRP [NH3+]CC(=O)NCC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000262436523 154232182 /nfs/dbraw/zinc/23/21/82/154232182.db2.gz TYGLDSXRXQWAPN-UHFFFAOYSA-N 2 0 333.436 -0.610 20 0 EBADRP CC(=O)N1CCN(C(=O)[C@H](C)N2CCN(c3nccn3C)CC2)CC1 ZINC000266967202 154359860 /nfs/dbraw/zinc/35/98/60/154359860.db2.gz YOIIBYOKCACPLM-AWEZNQCLSA-N 2 0 348.451 -0.379 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000343016827 156086096 /nfs/dbraw/zinc/08/60/96/156086096.db2.gz XIWHEESPOBRRJW-UHFFFAOYSA-N 2 0 340.468 -0.232 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000343025029 156088189 /nfs/dbraw/zinc/08/81/89/156088189.db2.gz QIIOEVMIMXPQBK-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000343315779 156121887 /nfs/dbraw/zinc/12/18/87/156121887.db2.gz YYUPLKZNTRVXBH-CQSZACIVSA-N 2 0 326.441 -0.576 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)NCC1CC[NH+](CCO)CC1)C1CC1 ZINC000343298505 156122799 /nfs/dbraw/zinc/12/27/99/156122799.db2.gz GOSTZHPJIBHZGB-UHFFFAOYSA-N 2 0 326.441 -0.983 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000343636136 156149295 /nfs/dbraw/zinc/14/92/95/156149295.db2.gz HZXHTPHTJIAYMS-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC[NH+]2CCCC2)C1 ZINC000343892267 156181498 /nfs/dbraw/zinc/18/14/98/156181498.db2.gz OYNJRWCPJDZRGT-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000344644671 156251978 /nfs/dbraw/zinc/25/19/78/156251978.db2.gz WMGLKDHNIGYFRQ-UHFFFAOYSA-N 2 0 340.468 -0.641 20 0 EBADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CC[C@@H]3C[NH2+]C[C@@H]3C1)c(=O)n2C ZINC000357093873 157119302 /nfs/dbraw/zinc/11/93/02/157119302.db2.gz ZDWJQHVKXPDIES-CHWSQXEVSA-N 2 0 346.435 -0.635 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000357583839 157158036 /nfs/dbraw/zinc/15/80/36/157158036.db2.gz VWDVEWJMYYBEKK-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000358557206 157258203 /nfs/dbraw/zinc/25/82/03/157258203.db2.gz GMMXDYULLNFUKE-JSGCOSHPSA-N 2 0 326.441 -0.720 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000358558595 157258564 /nfs/dbraw/zinc/25/85/64/157258564.db2.gz JRTPMADEZLHHLM-UHFFFAOYSA-N 2 0 340.468 -0.232 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000358578080 157264123 /nfs/dbraw/zinc/26/41/23/157264123.db2.gz YBLSBRYUYSUUSP-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2csc(CC[NH3+])n2)C1 ZINC000358847913 157280756 /nfs/dbraw/zinc/28/07/56/157280756.db2.gz ADCKMOMGLITBFT-LLVKDONJSA-N 2 0 339.465 -0.039 20 0 EBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CCN1CCOCC1 ZINC000359261442 157306910 /nfs/dbraw/zinc/30/69/10/157306910.db2.gz DTFYVQYNVAKPFM-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)N1CCN(CC(C)(C)O)CC1)C1CC1 ZINC000359266229 157307342 /nfs/dbraw/zinc/30/73/42/157307342.db2.gz STBCRMPFNLGGCT-UHFFFAOYSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCN2C(=O)CN(C)C2=O)CC1 ZINC000660753087 418961123 /nfs/dbraw/zinc/96/11/23/418961123.db2.gz FUNGUKQGWOFKIK-UHFFFAOYSA-N 2 0 325.457 -0.114 20 0 EBADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+]C(CO)CO)CC2)cc1 ZINC000518212806 419019718 /nfs/dbraw/zinc/01/97/18/419019718.db2.gz QBPLEVOPMFQQDY-UHFFFAOYSA-N 2 0 335.448 -0.028 20 0 EBADRP CN(C[C@H]1CCC[C@@H]1O)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000518332508 419023444 /nfs/dbraw/zinc/02/34/44/419023444.db2.gz PDDMKYHXZWDINM-CABCVRRESA-N 2 0 342.484 -0.442 20 0 EBADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000518531909 419024597 /nfs/dbraw/zinc/02/45/97/419024597.db2.gz HLVFQSBBOUOCHR-IIAWOOMASA-N 2 0 338.452 -0.401 20 0 EBADRP C[N@@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000531006825 419044182 /nfs/dbraw/zinc/04/41/82/419044182.db2.gz UPTJHWNNYQXCGW-KGLIPLIRSA-N 2 0 325.457 -0.033 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1csc(CC[NH3+])n1 ZINC000662875582 419003893 /nfs/dbraw/zinc/00/38/93/419003893.db2.gz WBGVXBOOEPIGLV-UHFFFAOYSA-N 2 0 327.454 -0.264 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000662939070 419006738 /nfs/dbraw/zinc/00/67/38/419006738.db2.gz AXOGYTHWGQHEQR-CYBMUJFWSA-N 2 0 326.441 -0.637 20 0 EBADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662962864 419009018 /nfs/dbraw/zinc/00/90/18/419009018.db2.gz NNSWZTKTERNJAP-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000644124061 419102869 /nfs/dbraw/zinc/10/28/69/419102869.db2.gz OJABCXXLPUCGRP-KGLIPLIRSA-N 2 0 326.441 -0.399 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)cn1 ZINC000655448915 419055388 /nfs/dbraw/zinc/05/53/88/419055388.db2.gz ABMPNXOVVXNTDW-PBHICJAKSA-N 2 0 348.451 -0.111 20 0 EBADRP CNC(=O)CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000155188098 419064466 /nfs/dbraw/zinc/06/44/66/419064466.db2.gz BZQVPGKXHUYHCU-OAHLLOKOSA-N 2 0 342.484 -0.083 20 0 EBADRP CN(CCC[NH+](C)C)CCNC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000665221262 419148607 /nfs/dbraw/zinc/14/86/07/419148607.db2.gz AFIHDRHSMSBJDO-ZDUSSCGKSA-N 2 0 349.501 -0.797 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652684354 419253354 /nfs/dbraw/zinc/25/33/54/419253354.db2.gz MEVGXARRNBHVAE-HNNXBMFYSA-N 2 0 340.468 -0.281 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@H]1C[NH3+] ZINC000652687772 419258017 /nfs/dbraw/zinc/25/80/17/419258017.db2.gz MDQASEMVTSEOIT-KBUPBQIOSA-N 2 0 338.452 -0.448 20 0 EBADRP COC[C@]1(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCC[NH2+]1 ZINC000647693093 419211105 /nfs/dbraw/zinc/21/11/05/419211105.db2.gz RLLHRPNHTNUXFK-PBHICJAKSA-N 2 0 338.452 -0.575 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531295672 419222077 /nfs/dbraw/zinc/22/20/77/419222077.db2.gz HMWQCEQQODNAIE-IEBWSBKVSA-N 2 0 346.475 -0.015 20 0 EBADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)NCCN3CC[NH2+]CC3)C2)C1 ZINC000652201756 419230686 /nfs/dbraw/zinc/23/06/86/419230686.db2.gz OSAODVOAEKBCFR-XHSDSOJGSA-N 2 0 339.484 -0.181 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652434129 419235853 /nfs/dbraw/zinc/23/58/53/419235853.db2.gz RSHWHMNRXVOEMV-UHFFFAOYSA-N 2 0 342.484 -0.033 20 0 EBADRP C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000410892913 419280105 /nfs/dbraw/zinc/28/01/05/419280105.db2.gz XHHYYZDMZAWJHT-AWEZNQCLSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCCC2(C[NH3+])CC2)C[C@H](C)O1 ZINC000652713805 419305076 /nfs/dbraw/zinc/30/50/76/419305076.db2.gz XWKWKKYREARNBX-OKILXGFUSA-N 2 0 340.468 -0.153 20 0 EBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279113595 419328335 /nfs/dbraw/zinc/32/83/35/419328335.db2.gz YUFTUYLEVWWNSK-SMDDNHRTSA-N 2 0 334.424 -0.444 20 0 EBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000652731244 419331514 /nfs/dbraw/zinc/33/15/14/419331514.db2.gz FLFCDWQTSDHQRT-AWEZNQCLSA-N 2 0 325.457 -0.968 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)C[C@H]1C[NH3+] ZINC000652736711 419351683 /nfs/dbraw/zinc/35/16/83/419351683.db2.gz NDZDPHFLLXKWET-HUUCEWRRSA-N 2 0 340.468 -0.247 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)C[C@H]1C[NH3+] ZINC000652736448 419352277 /nfs/dbraw/zinc/35/22/77/419352277.db2.gz GGKUJMATVBQYSC-CKEIUWERSA-N 2 0 338.452 -0.637 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000653387099 419365895 /nfs/dbraw/zinc/36/58/95/419365895.db2.gz UMUBMUZYAOYOCG-UHFFFAOYSA-N 2 0 328.457 -0.375 20 0 EBADRP COCCCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000392010831 419469401 /nfs/dbraw/zinc/46/94/01/419469401.db2.gz FTCZHLYTCASHBX-CABCVRRESA-N 2 0 340.468 -0.281 20 0 EBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000519140530 419517718 /nfs/dbraw/zinc/51/77/18/419517718.db2.gz MFDMUABBFZTTJE-VBQJREDUSA-N 2 0 338.452 -0.482 20 0 EBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000519360795 419520639 /nfs/dbraw/zinc/52/06/39/419520639.db2.gz YFGYWNXEMYAKAB-AWEZNQCLSA-N 2 0 325.457 -0.209 20 0 EBADRP COC[C@@H]1CN([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C[C@@H](C)O1 ZINC000527367636 419528619 /nfs/dbraw/zinc/52/86/19/419528619.db2.gz VEQHUFVIQGLXFQ-RDBSUJKOSA-N 2 0 327.425 -0.199 20 0 EBADRP C[C@@H](NC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2)[C@H]1CN(C)CCO1 ZINC000655710020 419624125 /nfs/dbraw/zinc/62/41/25/419624125.db2.gz RWJFFJDPQSDPAG-APIJFGDWSA-N 2 0 326.441 -0.132 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CCO1 ZINC000659716759 419786603 /nfs/dbraw/zinc/78/66/03/419786603.db2.gz CKWPXZXFXHINEE-KGLIPLIRSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000659740639 419805327 /nfs/dbraw/zinc/80/53/27/419805327.db2.gz JHJOIPGPRSYMPI-KKUMJFAQSA-N 2 0 340.468 -0.202 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C[C@H](C)O1 ZINC000420043928 419833343 /nfs/dbraw/zinc/83/33/43/419833343.db2.gz SMQGIJJUKQYGPV-SCRDCRAPSA-N 2 0 326.441 -0.545 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420024577 419840897 /nfs/dbraw/zinc/84/08/97/419840897.db2.gz AOQIRGQSTPPYEA-KBPBESRZSA-N 2 0 326.441 -0.591 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@H]2CCC[NH+]2C)C1 ZINC000422301031 419879617 /nfs/dbraw/zinc/87/96/17/419879617.db2.gz WAOAOFMDDKRWPO-UONOGXRCSA-N 2 0 326.441 -0.624 20 0 EBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000423285387 419933776 /nfs/dbraw/zinc/93/37/76/419933776.db2.gz ZFPJAOVMMULEKY-CABCVRRESA-N 2 0 337.468 -0.826 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000423285397 419934721 /nfs/dbraw/zinc/93/47/21/419934721.db2.gz ZFPJAOVMMULEKY-LSDHHAIUSA-N 2 0 337.468 -0.826 20 0 EBADRP O=C(C(=O)N1CCC(CC[NH+]2CCOCC2)CC1)N1CC[NH2+]CC1 ZINC000423220259 419925965 /nfs/dbraw/zinc/92/59/65/419925965.db2.gz VFKZZSIFJCFIFE-UHFFFAOYSA-N 2 0 338.452 -0.621 20 0 EBADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N(CCOC)CC[NH+](C)C)C1 ZINC000423259529 419926698 /nfs/dbraw/zinc/92/66/98/419926698.db2.gz FFEZAJGUANVAEN-AWEZNQCLSA-N 2 0 328.457 -0.519 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423260650 419927437 /nfs/dbraw/zinc/92/74/37/419927437.db2.gz HWKPBGUTORGLDR-KBPBESRZSA-N 2 0 326.441 -0.909 20 0 EBADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C(=O)NC1C[NH2+]C1 ZINC000516030175 419987037 /nfs/dbraw/zinc/98/70/37/419987037.db2.gz STIJQWAJMRXOJM-UHFFFAOYSA-N 2 0 345.447 -0.597 20 0 EBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000516492537 420512245 /nfs/dbraw/zinc/51/22/45/420512245.db2.gz MROWEUNYAWYLLY-HUUCEWRRSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCCOC(=O)NC(N)=O)CC1 ZINC000495759152 420604973 /nfs/dbraw/zinc/60/49/73/420604973.db2.gz ASUXRVICNYNNOD-UHFFFAOYSA-N 2 0 343.428 -0.429 20 0 EBADRP CNC(=O)[C@]1(C(F)(F)F)CCN(C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000653777184 420669163 /nfs/dbraw/zinc/66/91/63/420669163.db2.gz KLBBQPKNGHUOSI-AAEUAGOBSA-N 2 0 341.374 -0.074 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000516965677 420697091 /nfs/dbraw/zinc/69/70/91/420697091.db2.gz HUVUIESNFIHWAX-ARFHVFGLSA-N 2 0 326.485 -0.169 20 0 EBADRP O[C@@H]1C[C@H]2CN(CCCCN3CC[N@@H+]4C[C@H](O)C[C@H]4C3)CC[NH+]2C1 ZINC000653829246 420705714 /nfs/dbraw/zinc/70/57/14/420705714.db2.gz GGGQXGKIQRLCEM-WNRNVDISSA-N 2 0 338.496 -0.732 20 0 EBADRP C[N@@H+]1CCC[C@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000529308310 420762139 /nfs/dbraw/zinc/76/21/39/420762139.db2.gz DWAOGUFKMXUDET-AWEZNQCLSA-N 2 0 338.456 -0.567 20 0 EBADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529334207 420763478 /nfs/dbraw/zinc/76/34/78/420763478.db2.gz RMHONAHXDHXZHF-CQSZACIVSA-N 2 0 340.472 -0.288 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC000529337169 420763486 /nfs/dbraw/zinc/76/34/86/420763486.db2.gz IPOJZTDEPKAFSV-ZIAGYGMSSA-N 2 0 338.456 -0.521 20 0 EBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529384577 420765600 /nfs/dbraw/zinc/76/56/00/420765600.db2.gz YVYPRPHGKOMAKJ-CVEARBPZSA-N 2 0 339.484 -0.214 20 0 EBADRP COC(=O)[C@H]1CC12CC[NH+]([C@H]1CC(=O)N(CC[NH+](C)C)C1=O)CC2 ZINC000522239281 420719386 /nfs/dbraw/zinc/71/93/86/420719386.db2.gz XVDBPUJNLYVAAC-OLZOCXBDSA-N 2 0 337.420 -0.049 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCNS(C)(=O)=O ZINC000523009414 420724952 /nfs/dbraw/zinc/72/49/52/420724952.db2.gz AOSCGPJZCJRAGH-AWEZNQCLSA-N 2 0 348.513 -0.200 20 0 EBADRP Cn1c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc(=O)n(C)c1=O ZINC000530241853 420780755 /nfs/dbraw/zinc/78/07/55/420780755.db2.gz RGJGVVREOZRSGY-HNNXBMFYSA-N 2 0 336.436 -0.326 20 0 EBADRP CN(CC[N@H+](C)CCN1C(=O)CN(C)C1=O)C1CC[NH+](C)CC1 ZINC000660139163 420788063 /nfs/dbraw/zinc/78/80/63/420788063.db2.gz MBNVSXCUIJDAOC-UHFFFAOYSA-N 2 0 325.457 -0.162 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649320029 420799326 /nfs/dbraw/zinc/79/93/26/420799326.db2.gz JHNRPWOSORIWFG-UHFFFAOYSA-N 2 0 326.441 -0.623 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@@H](CO)NC(=O)[C@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC000649473797 420809563 /nfs/dbraw/zinc/80/95/63/420809563.db2.gz INQPNFMSEMRWQA-ZNMIVQPWSA-N 2 0 344.500 -0.248 20 0 EBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000658779923 420838919 /nfs/dbraw/zinc/83/89/19/420838919.db2.gz UEJSDXVENHXOTB-ZDUSSCGKSA-N 2 0 336.440 -0.016 20 0 EBADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656022482 420866751 /nfs/dbraw/zinc/86/67/51/420866751.db2.gz HHOYTDDVVMDEKD-NDBYEHHHSA-N 2 0 326.441 -0.328 20 0 EBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656021925 420867438 /nfs/dbraw/zinc/86/74/38/420867438.db2.gz ORGDGLNAVOEINH-QMIVOQANSA-N 2 0 340.468 -0.014 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000656039789 420869179 /nfs/dbraw/zinc/86/91/79/420869179.db2.gz GUWBQBBDFCDMQU-BYNSBNAKSA-N 2 0 340.468 -0.060 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000656039791 420869589 /nfs/dbraw/zinc/86/95/89/420869589.db2.gz GUWBQBBDFCDMQU-XQLPTFJDSA-N 2 0 340.468 -0.060 20 0 EBADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656069908 420872033 /nfs/dbraw/zinc/87/20/33/420872033.db2.gz SOSQCDLFMJTTLR-LSDHHAIUSA-N 2 0 338.452 -0.936 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656069598 420873194 /nfs/dbraw/zinc/87/31/94/420873194.db2.gz HTXUWMRGSLRRRU-OKILXGFUSA-N 2 0 328.457 -0.521 20 0 EBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656075270 420874164 /nfs/dbraw/zinc/87/41/64/420874164.db2.gz HGTRRTNPMFEUJS-LXTVHRRPSA-N 2 0 338.452 -0.938 20 0 EBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656078146 420875157 /nfs/dbraw/zinc/87/51/57/420875157.db2.gz GXRHFEMZFHHVPG-UONOGXRCSA-N 2 0 326.441 -0.936 20 0 EBADRP CC1CC[NH+](CCNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656296228 420884865 /nfs/dbraw/zinc/88/48/65/420884865.db2.gz QOYQUROGVWEZQN-LSDHHAIUSA-N 2 0 338.452 -0.888 20 0 EBADRP O=C(N[C@H]1CC[NH+]2CCC[C@@H]2C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656299428 420885653 /nfs/dbraw/zinc/88/56/53/420885653.db2.gz SPVBONCZHIGNDP-LJISPDSOSA-N 2 0 336.436 -0.993 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656307471 420887199 /nfs/dbraw/zinc/88/71/99/420887199.db2.gz POZXZTWLGPYMLU-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656302270 420888093 /nfs/dbraw/zinc/88/80/93/420888093.db2.gz RADGJAGVNUBBHP-LSDHHAIUSA-N 2 0 338.452 -0.888 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000658537925 420960013 /nfs/dbraw/zinc/96/00/13/420960013.db2.gz YZRGHROIBRXSSX-GJZGRUSLSA-N 2 0 340.468 -0.567 20 0 EBADRP O=C(NCC12CC(C1)C[NH2+]2)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000659455686 420999941 /nfs/dbraw/zinc/99/99/41/420999941.db2.gz CBWIGECYOFKWAF-CKDBGZEDSA-N 2 0 337.468 -0.556 20 0 EBADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NCC12CC(C1)C[NH2+]2 ZINC000659539412 421003809 /nfs/dbraw/zinc/00/38/09/421003809.db2.gz QNOAYBIQKPHWLQ-AKJDGMEZSA-N 2 0 335.374 -0.126 20 0 EBADRP CN1CCN(C(=O)NC[C@H]2CC(=O)N(C(C)(C)C)C2)[C@H](C[NH3+])C1 ZINC000659607792 421005331 /nfs/dbraw/zinc/00/53/31/421005331.db2.gz FGKAJNXUCBNJER-CHWSQXEVSA-N 2 0 325.457 -0.082 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659617208 421007541 /nfs/dbraw/zinc/00/75/41/421007541.db2.gz OLDVDYBJSNLYFW-XOYHFGRZSA-N 2 0 335.452 -0.314 20 0 EBADRP CC(C)(O)C[NH+]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659631842 421007811 /nfs/dbraw/zinc/00/78/11/421007811.db2.gz IDQJDROSHYQTOE-UHFFFAOYSA-N 2 0 338.412 -0.761 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CC(C)(C)[NH3+])CCCO1 ZINC000659676163 421012671 /nfs/dbraw/zinc/01/26/71/421012671.db2.gz FNQBHSYNIPIVOQ-CYBMUJFWSA-N 2 0 328.457 -0.201 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000659679079 421013172 /nfs/dbraw/zinc/01/31/72/421013172.db2.gz DEUBNTOTHQJNGN-CFVMTHIKSA-N 2 0 340.468 -0.405 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659679711 421013690 /nfs/dbraw/zinc/01/36/90/421013690.db2.gz CFFOBRKLUKPUNM-XOYHFGRZSA-N 2 0 338.452 -0.672 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CCCO1 ZINC000659676516 421014055 /nfs/dbraw/zinc/01/40/55/421014055.db2.gz GVPUYJSNRAQHKJ-BFHYXJOUSA-N 2 0 344.431 -0.499 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659700738 421016960 /nfs/dbraw/zinc/01/69/60/421016960.db2.gz UASJEFQQWRZLLJ-ZDUSSCGKSA-N 2 0 326.441 -0.399 20 0 EBADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)C(=O)NC1C[NH2+]C1 ZINC000659715097 421019529 /nfs/dbraw/zinc/01/95/29/421019529.db2.gz RCWHJRADKNZICE-UHFFFAOYSA-N 2 0 331.420 -0.502 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CCO1 ZINC000659714078 421019837 /nfs/dbraw/zinc/01/98/37/421019837.db2.gz UTYUEMBLCBVYAZ-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659719562 421021894 /nfs/dbraw/zinc/02/18/94/421021894.db2.gz WNBHTNOVMTWIJI-HUUCEWRRSA-N 2 0 340.468 -0.155 20 0 EBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659738194 421023778 /nfs/dbraw/zinc/02/37/78/421023778.db2.gz BIZXNANKZNINOV-HUUCEWRRSA-N 2 0 340.468 -0.155 20 0 EBADRP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000659741924 421025699 /nfs/dbraw/zinc/02/56/99/421025699.db2.gz XSXCQGMBRBDXSY-UHFFFAOYSA-N 2 0 329.404 -0.402 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000659753801 421029220 /nfs/dbraw/zinc/02/92/20/421029220.db2.gz NNAADJRPXIZTNN-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000659752210 421030051 /nfs/dbraw/zinc/03/00/51/421030051.db2.gz YMAKLEASQQIEFT-AWEZNQCLSA-N 2 0 339.484 -0.804 20 0 EBADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@@H+](C[C@H]2CNCCO2)C1 ZINC000662338793 421085546 /nfs/dbraw/zinc/08/55/46/421085546.db2.gz WFSNLCWGZZYROP-LSDHHAIUSA-N 2 0 334.468 -0.013 20 0 EBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CCO[C@H]2C[NH3+])c1 ZINC000662402824 421086832 /nfs/dbraw/zinc/08/68/32/421086832.db2.gz OMJPZNAQICQAIS-STQMWFEESA-N 2 0 342.421 -0.774 20 0 EBADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])cc1 ZINC000662724363 421096901 /nfs/dbraw/zinc/09/69/01/421096901.db2.gz OEIZDFVDNXSFRR-HZPDHXFCSA-N 2 0 348.447 -0.042 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662709299 421097692 /nfs/dbraw/zinc/09/76/92/421097692.db2.gz AMQMCCHOAIADNP-MELADBBJSA-N 2 0 326.441 -0.591 20 0 EBADRP NC(=O)C1CC[NH+](CCc2ccc(NC(=O)C3(O)C[NH2+]C3)cc2)CC1 ZINC000662704051 421097854 /nfs/dbraw/zinc/09/78/54/421097854.db2.gz SUKGTRKQODETPI-UHFFFAOYSA-N 2 0 346.431 -0.301 20 0 EBADRP C[NH+]1CCN(c2cc(CNC(=O)[C@H]3CCO[C@H]3C[NH3+])ccn2)CC1 ZINC000662757290 421098919 /nfs/dbraw/zinc/09/89/19/421098919.db2.gz KZTBIVXACAOKDP-GJZGRUSLSA-N 2 0 333.436 -0.187 20 0 EBADRP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000662922573 421109881 /nfs/dbraw/zinc/10/98/81/421109881.db2.gz KFNBNLZFERZJGR-UHFFFAOYSA-N 2 0 329.404 -0.320 20 0 EBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662932600 421112497 /nfs/dbraw/zinc/11/24/97/421112497.db2.gz MDTIRHXFVPPQDE-UHFFFAOYSA-N 2 0 337.468 -0.968 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000662931561 421113014 /nfs/dbraw/zinc/11/30/14/421113014.db2.gz FIGKAJUBTYYSDL-HNNXBMFYSA-N 2 0 339.484 -0.578 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)[C@@H](C)C[NH2+]1 ZINC000662952087 421115853 /nfs/dbraw/zinc/11/58/53/421115853.db2.gz XESHSHMVWJCUCA-QLFBSQMISA-N 2 0 340.468 -0.236 20 0 EBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662340408 421084252 /nfs/dbraw/zinc/08/42/52/421084252.db2.gz DNVSKQQYRNPQFP-ILXRZTDVSA-N 2 0 340.468 -0.155 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664079994 421149053 /nfs/dbraw/zinc/14/90/53/421149053.db2.gz LCARCNOWMWICTN-JKSUJKDBSA-N 2 0 341.500 -0.016 20 0 EBADRP C[NH+](C)[C@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C[C@@H]1O ZINC000664473634 421156817 /nfs/dbraw/zinc/15/68/17/421156817.db2.gz TZYWQXPVSCTTAI-JONQDZQNSA-N 2 0 340.468 -0.320 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)n1 ZINC000626850299 421192063 /nfs/dbraw/zinc/19/20/63/421192063.db2.gz CRCCRZJUDXGIJD-GFCCVEGCSA-N 2 0 334.424 -0.216 20 0 EBADRP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000645622988 421206772 /nfs/dbraw/zinc/20/67/72/421206772.db2.gz NYHQHCPSYLOVLW-JSGCOSHPSA-N 2 0 340.387 0.368 20 0 EBADRP [NH3+]C[C@@H](NC(=O)C(=O)NCCCC[NH+]1CCOCC1)C1CCCC1 ZINC000419478397 264871389 /nfs/dbraw/zinc/87/13/89/264871389.db2.gz JMMZPXZZHRESMM-OAHLLOKOSA-N 2 0 340.468 -0.151 20 0 EBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000419814029 264890663 /nfs/dbraw/zinc/89/06/63/264890663.db2.gz OIPIMKJYOOEZMM-HOTGVXAUSA-N 2 0 348.447 -0.100 20 0 EBADRP C[C@@H](NC(=O)C(=O)NCCCN1CC[NH2+]CC1)C(C)(C)C[NH+](C)C ZINC000419878000 264901291 /nfs/dbraw/zinc/90/12/91/264901291.db2.gz XLKXKNRYTVIOIB-CQSZACIVSA-N 2 0 341.500 -0.510 20 0 EBADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000420015168 264913947 /nfs/dbraw/zinc/91/39/47/264913947.db2.gz POZIZMJZCBGGCA-MGPQQGTHSA-N 2 0 340.468 -0.202 20 0 EBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000423604380 265018138 /nfs/dbraw/zinc/01/81/38/265018138.db2.gz IGFQTSSTSPNBGC-LSDHHAIUSA-N 2 0 338.452 -0.623 20 0 EBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000423654886 265027066 /nfs/dbraw/zinc/02/70/66/265027066.db2.gz RJICCOPESSKILB-LSDHHAIUSA-N 2 0 341.500 -0.463 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2C[NH2+]CCO2)CC1=O ZINC000423984077 265044880 /nfs/dbraw/zinc/04/48/80/265044880.db2.gz BIAMUQSFKUFIQZ-ZNMIVQPWSA-N 2 0 338.452 -0.576 20 0 EBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)C1 ZINC000424064322 265048668 /nfs/dbraw/zinc/04/86/68/265048668.db2.gz ZDIQRVAUGVXZNV-STQMWFEESA-N 2 0 348.451 -0.196 20 0 EBADRP O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000424179725 265049840 /nfs/dbraw/zinc/04/98/40/265049840.db2.gz TZPOBYZUWUBHCP-ZIAGYGMSSA-N 2 0 332.452 -0.004 20 0 EBADRP COCC(C)(C)N1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000424490983 265066831 /nfs/dbraw/zinc/06/68/31/265066831.db2.gz BIJZBRVVEHVMMV-ZIAGYGMSSA-N 2 0 340.468 -0.236 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC000424534781 265072555 /nfs/dbraw/zinc/07/25/55/265072555.db2.gz ZOVSRJVFSGEHJG-TUKIKUTGSA-N 2 0 348.451 -0.728 20 0 EBADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1=O ZINC000425307668 265092083 /nfs/dbraw/zinc/09/20/83/265092083.db2.gz BIQLCKBWRRUXQG-ZBFHGGJFSA-N 2 0 342.484 -0.132 20 0 EBADRP CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430643389 265152369 /nfs/dbraw/zinc/15/23/69/265152369.db2.gz QXYPUSUSTMMIGV-CQSZACIVSA-N 2 0 346.497 -0.588 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)NC[C@@]2(O)CC[NH+](C)C2)CCCO1 ZINC000433459346 265190462 /nfs/dbraw/zinc/19/04/62/265190462.db2.gz XNMKPZOUVGXZAT-HOCLYGCPSA-N 2 0 328.457 -0.147 20 0 EBADRP C[C@@H]1CN([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C[C@H](C)[N@H+]1CCO ZINC000448557811 265390633 /nfs/dbraw/zinc/39/06/33/265390633.db2.gz WGLHZLROFGYLRW-MJBXVCDLSA-N 2 0 326.441 -0.938 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000516096801 265627556 /nfs/dbraw/zinc/62/75/56/265627556.db2.gz JYBVBOYBBJNDMA-UHFFFAOYSA-N 3 0 327.473 -0.851 20 0 EBADRP O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000516766871 272888277 /nfs/dbraw/zinc/88/82/77/272888277.db2.gz DDUINQQRMRIAIJ-CABCVRRESA-N 2 0 348.451 -0.176 20 0 EBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](CCOC)C2)C1 ZINC000343929722 279034166 /nfs/dbraw/zinc/03/41/66/279034166.db2.gz XLUGBDABZQICLK-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000340354475 279283392 /nfs/dbraw/zinc/28/33/92/279283392.db2.gz KREWVHMEDXFWJR-UHFFFAOYSA-N 2 0 340.468 -0.231 20 0 EBADRP CC[C@@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[N@@H+]1CCOC ZINC000351556411 280350167 /nfs/dbraw/zinc/35/01/67/280350167.db2.gz OCOUEQFDGZGGIP-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP CN(CCC[N@H+](C)CC1(O)CCS(=O)(=O)CC1)CC[NH+](C)C ZINC000344015946 289132226 /nfs/dbraw/zinc/13/22/26/289132226.db2.gz DHGSMCLSSCZKBU-UHFFFAOYSA-N 2 0 335.514 -0.259 20 0 EBADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000333766441 300245480 /nfs/dbraw/zinc/24/54/80/300245480.db2.gz BJBYDINNFKGSKI-UONOGXRCSA-N 2 0 328.457 -0.149 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCN(C3CC3)CC2)cn1 ZINC000126246432 545729442 /nfs/dbraw/zinc/72/94/42/545729442.db2.gz BDDBZJOEJAXFFU-UHFFFAOYSA-N 2 0 334.424 -0.310 20 0 EBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668672402 545732898 /nfs/dbraw/zinc/73/28/98/545732898.db2.gz PHITVWIKOMRZCF-HIFRSBDPSA-N 2 0 340.468 -0.188 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000672011035 545743768 /nfs/dbraw/zinc/74/37/68/545743768.db2.gz QAWYUIYKNODVTQ-CQSZACIVSA-N 2 0 342.484 -0.131 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000668839747 545768463 /nfs/dbraw/zinc/76/84/63/545768463.db2.gz CNPYFVCFSVBMKX-ZIAGYGMSSA-N 2 0 340.468 -0.188 20 0 EBADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000669528415 545884900 /nfs/dbraw/zinc/88/49/00/545884900.db2.gz UOJDFENKUOPOEK-CQSZACIVSA-N 2 0 325.457 -0.305 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000672165306 545962057 /nfs/dbraw/zinc/96/20/57/545962057.db2.gz ALOVITADSOUXJK-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000671418970 546003358 /nfs/dbraw/zinc/00/33/58/546003358.db2.gz LHRUMPIJPRAJRV-UHFFFAOYSA-N 2 0 331.420 -0.059 20 0 EBADRP C[NH+]1CC[C@H](CNC(=O)c2cc(C(=O)NC[C@@H]3CC[N@@H+](C)C3)[nH]n2)C1 ZINC000666909557 546044844 /nfs/dbraw/zinc/04/48/44/546044844.db2.gz GVVGLRTWCBTTPJ-BETUJISGSA-N 2 0 348.451 -0.227 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672309162 546090594 /nfs/dbraw/zinc/09/05/94/546090594.db2.gz HQRAGHQATKNBSI-AWEZNQCLSA-N 2 0 326.441 -0.719 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000672310356 546091242 /nfs/dbraw/zinc/09/12/42/546091242.db2.gz QJZYUXCWFQNINS-GJZGRUSLSA-N 2 0 338.452 -0.576 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000673351077 546137633 /nfs/dbraw/zinc/13/76/33/546137633.db2.gz JJVBYOVVJVDVKC-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000680507916 546289284 /nfs/dbraw/zinc/28/92/84/546289284.db2.gz BAWXEKUAFKXMLV-INIZCTEOSA-N 2 0 341.500 -0.014 20 0 EBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@]3(O)CC[NH+](C)C3)C2)CC1 ZINC000680835133 546293649 /nfs/dbraw/zinc/29/36/49/546293649.db2.gz XBZGXYBETUJZPT-PBHICJAKSA-N 2 0 339.484 -0.479 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000681803193 546310391 /nfs/dbraw/zinc/31/03/91/546310391.db2.gz RLFCQCBWZKRYJK-UHFFFAOYSA-N 2 0 349.501 -0.987 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC2([NH+](C)C)CCC2)cn1 ZINC000682098948 546323391 /nfs/dbraw/zinc/32/33/91/546323391.db2.gz VVHVMTHNUOXXEW-UHFFFAOYSA-N 2 0 336.440 -0.016 20 0 EBADRP C[NH+](C)CCOCCNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000682613223 546336956 /nfs/dbraw/zinc/33/69/56/546336956.db2.gz GUSFCWKGUJLORE-INIZCTEOSA-N 2 0 341.500 -0.014 20 0 EBADRP C[NH+](C)C[C@](C)(O)CNc1cnc(NC[C@@](C)(O)C[NH+](C)C)cn1 ZINC000685273275 546391435 /nfs/dbraw/zinc/39/14/35/546391435.db2.gz ZIBBEOSXMCLWQJ-HZPDHXFCSA-N 2 0 340.472 -0.074 20 0 EBADRP C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891450833 582556744 /nfs/dbraw/zinc/55/67/44/582556744.db2.gz JPCNZMQVPJTHGZ-RQJABVFESA-N 2 0 339.440 -0.097 20 0 EBADRP O=C(NC[C@@H]1CCC[NH2+]C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891979736 582564961 /nfs/dbraw/zinc/56/49/61/582564961.db2.gz QWZHLUFWPQEFBD-SYQHCUMBSA-N 2 0 337.424 -0.438 20 0 EBADRP CC[C@@H]([NH3+])CNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892148230 582568083 /nfs/dbraw/zinc/56/80/83/582568083.db2.gz WERMULDCKAKWLZ-HUUCEWRRSA-N 2 0 327.473 -0.181 20 0 EBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000892170199 582568545 /nfs/dbraw/zinc/56/85/45/582568545.db2.gz PZZZNUDRYASTNU-RGDJUOJXSA-N 2 0 337.424 -0.310 20 0 EBADRP COCC[N@H+](C)CCNC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000892687346 582585760 /nfs/dbraw/zinc/58/57/60/582585760.db2.gz KFAYRYZIPNNQLW-GJZGRUSLSA-N 2 0 328.457 -0.195 20 0 EBADRP CN1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)[C@@H](C[NH3+])C1 ZINC000892754518 582586740 /nfs/dbraw/zinc/58/67/40/582586740.db2.gz ARIVTBBLKVVOBW-UONOGXRCSA-N 2 0 325.457 -0.571 20 0 EBADRP C[NH+]1CCC(O)(CNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892776652 582587850 /nfs/dbraw/zinc/58/78/50/582587850.db2.gz HGKOIFCJGYZVMD-CQSZACIVSA-N 2 0 340.468 -0.099 20 0 EBADRP CN1CCN(C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)CC[N@H+](C)CC1 ZINC000892819885 582588075 /nfs/dbraw/zinc/58/80/75/582588075.db2.gz TUGFXBKAIPMUGO-HOTGVXAUSA-N 2 0 339.484 -0.262 20 0 EBADRP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)NCC[N@H+](C)CCO)cc21 ZINC000899740543 582755417 /nfs/dbraw/zinc/75/54/17/582755417.db2.gz MEBHYLUTCFOGDH-UHFFFAOYSA-N 2 0 349.435 -0.043 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH+](C)CCO)CC1=O 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/nfs/dbraw/zinc/80/97/40/582809740.db2.gz FMRGOMHMTCKUCD-VBQJREDUSA-N 2 0 338.452 -0.637 20 0 EBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903768120 582818112 /nfs/dbraw/zinc/81/81/12/582818112.db2.gz SBCPRTFCIXEQDE-GMTAPVOTSA-N 2 0 336.358 -0.113 20 0 EBADRP O=S(=O)(C1CN(CCOC2CCSCC2)C1)N1CCNCC1 ZINC000903786484 582820915 /nfs/dbraw/zinc/82/09/15/582820915.db2.gz JSVOWUCOMWAYME-UHFFFAOYSA-N 2 0 349.522 -0.182 20 0 EBADRP O=S1(=O)CCCN1[C@@H]1CCCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000789372753 583536666 /nfs/dbraw/zinc/53/66/66/583536666.db2.gz ABWRWYZOKZMKIQ-HUUCEWRRSA-N 2 0 331.482 -0.057 20 0 EBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000793797164 583570129 /nfs/dbraw/zinc/57/01/29/583570129.db2.gz YSHQCGHIOVIWPC-KKUMJFAQSA-N 2 0 340.468 -0.188 20 0 EBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804057294 583639939 /nfs/dbraw/zinc/63/99/39/583639939.db2.gz WCCZFAZMLQENKO-HUUCEWRRSA-N 2 0 338.452 -0.482 20 0 EBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000807776580 583663097 /nfs/dbraw/zinc/66/30/97/583663097.db2.gz DSIKDEKNIHCDFJ-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000817813534 583729841 /nfs/dbraw/zinc/72/98/41/583729841.db2.gz HYYXFBVJDPYKCP-SOUVJXGZSA-N 2 0 338.452 -0.482 20 0 EBADRP COC(=O)[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC[N@H+](C)C1 ZINC000822631135 583815021 /nfs/dbraw/zinc/81/50/21/583815021.db2.gz PLERVNLYNHNDHJ-CYBMUJFWSA-N 2 0 327.425 -0.340 20 0 EBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)COC1CC[NH+](C)CC1 ZINC000823562329 583833652 /nfs/dbraw/zinc/83/36/52/583833652.db2.gz SPSPQKGBMSTGIG-CYBMUJFWSA-N 2 0 326.441 -0.324 20 0 EBADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)COC1CC[NH+](C)CC1 ZINC000823562343 583833691 /nfs/dbraw/zinc/83/36/91/583833691.db2.gz SPSPQKGBMSTGIG-ZDUSSCGKSA-N 2 0 326.441 -0.324 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC000825387885 583860270 /nfs/dbraw/zinc/86/02/70/583860270.db2.gz VUOJPTFJJDRKDD-OAHLLOKOSA-N 2 0 338.452 -0.478 20 0 EBADRP O=C(CO[C@H]1CCC[NH2+]C1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841851454 584055422 /nfs/dbraw/zinc/05/54/22/584055422.db2.gz WHZMMECVEQASAN-RYUDHWBXSA-N 2 0 338.374 -0.293 20 0 EBADRP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC[NH2+]1 ZINC000842164449 584058457 /nfs/dbraw/zinc/05/84/57/584058457.db2.gz LFWBJEUIFKOPMR-SOUVJXGZSA-N 2 0 338.452 -0.578 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000842165137 584058960 /nfs/dbraw/zinc/05/89/60/584058960.db2.gz TWSOKIZWEQEIPM-LJISPDSOSA-N 2 0 336.436 -0.681 20 0 EBADRP [NH3+]CC(=O)NCC(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000843330333 584075849 /nfs/dbraw/zinc/07/58/49/584075849.db2.gz VPLJXOFXJNKGDO-UHFFFAOYSA-N 2 0 334.376 -0.391 20 0 EBADRP C[N@H+](CCC[NH3+])CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000843351507 584076384 /nfs/dbraw/zinc/07/63/84/584076384.db2.gz ZAMSXKAFVXSIAN-UHFFFAOYSA-N 2 0 325.413 -0.057 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844181497 584090211 /nfs/dbraw/zinc/09/02/11/584090211.db2.gz SHZFORZLUOBEGY-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000848933175 584163768 /nfs/dbraw/zinc/16/37/68/584163768.db2.gz ZYRUMXAQULLEAF-XQLPTFJDSA-N 2 0 338.452 -0.578 20 0 EBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000848933174 584163866 /nfs/dbraw/zinc/16/38/66/584163866.db2.gz ZYRUMXAQULLEAF-KBXIAJHMSA-N 2 0 338.452 -0.578 20 0 EBADRP [NH2+]=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCN(c2ncccn2)CC1 ZINC000849073801 584165690 /nfs/dbraw/zinc/16/56/90/584165690.db2.gz DXOZPZHDFNZGLL-HUUCEWRRSA-N 2 0 345.451 -0.014 20 0 EBADRP CN(CC1C[NH+](C)C1)C(=O)CC(O)CC(=O)N(C)CC1C[NH+](C)C1 ZINC000855640867 584261778 /nfs/dbraw/zinc/26/17/78/584261778.db2.gz FDILJVRWPIRONC-UHFFFAOYSA-N 2 0 340.468 -0.833 20 0 EBADRP C[C@@H](CNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)[NH+](C)C ZINC000861636068 584332164 /nfs/dbraw/zinc/33/21/64/584332164.db2.gz DCZRLGSJXFKPSU-YUTCNCBUSA-N 2 0 339.440 -0.097 20 0 EBADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000861731074 584335581 /nfs/dbraw/zinc/33/55/81/584335581.db2.gz AVWKIQHXWWPSGP-UHFFFAOYSA-N 2 0 328.457 -0.153 20 0 EBADRP CC(C)[C@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])N1CC[NH+](C)CC1 ZINC000861743405 584336676 /nfs/dbraw/zinc/33/66/76/584336676.db2.gz VWLLXTQWWPMEKX-KBPBESRZSA-N 2 0 327.473 -0.820 20 0 EBADRP CCS(=O)(=O)NCCC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711367 584404132 /nfs/dbraw/zinc/40/41/32/584404132.db2.gz JFRSQONEUFEKLV-XQQFMLRXSA-N 2 0 346.453 -0.817 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000866821917 584407839 /nfs/dbraw/zinc/40/78/39/584407839.db2.gz BXLGWEOAVVYJKK-HUUCEWRRSA-N 2 0 330.498 -0.220 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000866821916 584407848 /nfs/dbraw/zinc/40/78/48/584407848.db2.gz BXLGWEOAVVYJKK-GJZGRUSLSA-N 2 0 330.498 -0.220 20 0 EBADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)CCn2cccn2)C[C@H]1C[NH+](C)C ZINC000867590695 584412107 /nfs/dbraw/zinc/41/21/07/584412107.db2.gz RSSALGHAZDXGFR-HUUCEWRRSA-N 2 0 343.497 -0.116 20 0 EBADRP C[N@@H+]1CC[C@H]2CN(S(=O)(=O)CCCN3CC[NH+](C)CC3)CC[C@@H]21 ZINC000867809504 584418071 /nfs/dbraw/zinc/41/80/71/584418071.db2.gz SAJJJPKJTOCQOI-HOTGVXAUSA-N 2 0 344.525 -0.020 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC[NH2+]1 ZINC000868387358 584427084 /nfs/dbraw/zinc/42/70/84/584427084.db2.gz BLKAFAYHPDNORZ-RRFJBIMHSA-N 3 0 339.484 -0.996 20 0 EBADRP CN(CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)S(C)(=O)=O ZINC000870023694 584442942 /nfs/dbraw/zinc/44/29/42/584442942.db2.gz IWLDCSHTZJXZQT-CHWSQXEVSA-N 2 0 334.486 -0.924 20 0 EBADRP O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870998091 584450842 /nfs/dbraw/zinc/45/08/42/584450842.db2.gz UDUNCCTWLIZKKY-LHLGERLTSA-N 2 0 334.420 -0.230 20 0 EBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000871811260 584457461 /nfs/dbraw/zinc/45/74/61/584457461.db2.gz NMTNFTPVBXMXQW-GJZGRUSLSA-N 2 0 325.434 -0.391 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCc2ccncc2)C[C@H]1C[NH+](C)C ZINC000874976050 584487306 /nfs/dbraw/zinc/48/73/06/584487306.db2.gz JFKJICFMBFECAN-HZPDHXFCSA-N 2 0 347.463 -0.104 20 0 EBADRP C[NH+](C)C[C@H](N)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000876781907 584523534 /nfs/dbraw/zinc/52/35/34/584523534.db2.gz RHHBBMFETFYJDK-DLBZAZTESA-N 2 0 333.480 -0.020 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@]2(COC)C[NH2+]CCO2)CC1 ZINC000876782776 584523647 /nfs/dbraw/zinc/52/36/47/584523647.db2.gz USBCZWINCQRBRJ-RDJZCZTQSA-N 2 0 342.484 -0.619 20 0 EBADRP COC[C@@]1(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C[NH2+]CCO1 ZINC000876775947 584523721 /nfs/dbraw/zinc/52/37/21/584523721.db2.gz HSYQSPZFXUUCCJ-GOEBONIOSA-N 2 0 327.425 -0.828 20 0 EBADRP C[NH+](C)C[C@H](N)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000876918732 584526917 /nfs/dbraw/zinc/52/69/17/584526917.db2.gz MRLIJHQQRKLHKZ-AWEZNQCLSA-N 2 0 335.452 -0.202 20 0 EBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877330853 584531641 /nfs/dbraw/zinc/53/16/41/584531641.db2.gz HZQUPRXSKGQSNH-UONOGXRCSA-N 2 0 338.452 -0.480 20 0 EBADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1C[C@H](CO)[C@H](CO)C1)c1ccccc1 ZINC000879694862 584556245 /nfs/dbraw/zinc/55/62/45/584556245.db2.gz DCKAYZMNXKLWJE-BBWFWOEESA-N 2 0 335.448 -0.062 20 0 EBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCOCC[NH+](C)C ZINC000888858491 584571770 /nfs/dbraw/zinc/57/17/70/584571770.db2.gz RFBDCLGARYVQRP-CYBMUJFWSA-N 2 0 329.445 -0.674 20 0 EBADRP CC[NH+]1CC[C@@H]1CNC(=O)COCC(=O)NC[C@H]1CC[N@H+]1CC ZINC000882489339 584590886 /nfs/dbraw/zinc/59/08/86/584590886.db2.gz ATWHAQMMMNOXDP-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP CNS(=O)(=O)c1ccc(N2CC[NH+](CCOCC[NH3+])CC2)cc1 ZINC000883447966 584601491 /nfs/dbraw/zinc/60/14/91/584601491.db2.gz QMNYUQTUUDKXQB-UHFFFAOYSA-N 2 0 342.465 -0.308 20 0 EBADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884516541 584625336 /nfs/dbraw/zinc/62/53/36/584625336.db2.gz NBIUCEFFQGYKSP-KKUMJFAQSA-N 2 0 336.436 -0.681 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@H]1C[NH3+] ZINC000884516684 584625600 /nfs/dbraw/zinc/62/56/00/584625600.db2.gz QULJBTRKBHVVIC-ZIAGYGMSSA-N 2 0 339.484 -0.818 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000884562626 584627539 /nfs/dbraw/zinc/62/75/39/584627539.db2.gz GCKRXCPRSUCKGZ-QGZVFWFLSA-N 2 0 342.484 -0.096 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884603953 584629324 /nfs/dbraw/zinc/62/93/24/584629324.db2.gz WCUNPPVCTSXOAD-QLFBSQMISA-N 2 0 338.452 -0.434 20 0 EBADRP CCN(C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@H]1CC[NH2+]C1 ZINC000884612327 584629910 /nfs/dbraw/zinc/62/99/10/584629910.db2.gz JKSBCTGJQPTGRC-SWLSCSKDSA-N 2 0 328.482 -0.250 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CCSC1 ZINC000884612648 584629938 /nfs/dbraw/zinc/62/99/38/584629938.db2.gz QOFLETHSAMIAEW-XEZPLFJOSA-N 2 0 340.493 -0.107 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)C1 ZINC000884642735 584631203 /nfs/dbraw/zinc/63/12/03/584631203.db2.gz PZQAHGRNOGDLKQ-KGLIPLIRSA-N 2 0 326.441 -0.447 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884662018 584632248 /nfs/dbraw/zinc/63/22/48/584632248.db2.gz FLZWIIWNZTWRTM-UHFFFAOYSA-N 2 0 326.441 -0.575 20 0 EBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000884656479 584632258 /nfs/dbraw/zinc/63/22/58/584632258.db2.gz IVXBAKIUVKXKBD-STQMWFEESA-N 2 0 338.452 -0.435 20 0 EBADRP CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000884669706 584632474 /nfs/dbraw/zinc/63/24/74/584632474.db2.gz DOQLAANGJRNTBE-HUUCEWRRSA-N 2 0 339.484 -0.804 20 0 EBADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000884675247 584632990 /nfs/dbraw/zinc/63/29/90/584632990.db2.gz XCKGDMNYLDWMJK-KBPBESRZSA-N 2 0 331.420 -0.013 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCC[NH2+]C2CC2)C[C@H]1C[NH+](C)C ZINC000884689971 584634417 /nfs/dbraw/zinc/63/44/17/584634417.db2.gz FWBIFUGWQLHBHC-ZIAGYGMSSA-N 3 0 339.484 -0.948 20 0 EBADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000884726619 584636555 /nfs/dbraw/zinc/63/65/55/584636555.db2.gz XWGOSZZXSORHHC-UKRRQHHQSA-N 2 0 347.419 -0.777 20 0 EBADRP CN1CCN(C(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)[C@@H](C[NH3+])C1 ZINC000884985868 584642168 /nfs/dbraw/zinc/64/21/68/584642168.db2.gz CJDOHBKHHZHRJC-UUCFBXCCSA-N 2 0 339.484 -0.533 20 0 EBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885203644 584645681 /nfs/dbraw/zinc/64/56/81/584645681.db2.gz WQFYGDNVQFHEMG-ZDUSSCGKSA-N 2 0 340.468 -0.058 20 0 EBADRP CCN(C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC[NH2+]C1 ZINC000887066696 584674598 /nfs/dbraw/zinc/67/45/98/584674598.db2.gz RLJLAYNHCCVFIT-HNNXBMFYSA-N 2 0 331.420 -0.059 20 0 EBADRP CC[NH+]1CCC(NC(=O)CN2CC[NH+](C(C)(C)CO)CC2)CC1 ZINC000605420365 650016772 /nfs/dbraw/zinc/01/67/72/650016772.db2.gz DPWMVBGMEMOELI-UHFFFAOYSA-N 2 0 326.485 -0.025 20 0 EBADRP C[NH+](C)C[C@H](N)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000705394772 650036388 /nfs/dbraw/zinc/03/63/88/650036388.db2.gz RFXWVHQPOUDNAI-KRWDZBQOSA-N 2 0 333.480 -0.191 20 0 EBADRP O=S1(=O)CCNC[C@@H]1CC[NH2+]Cc1ccc(N2CC[NH2+]CC2)o1 ZINC000904388355 650049463 /nfs/dbraw/zinc/04/94/63/650049463.db2.gz HWFWFBYJSRDFIN-AWEZNQCLSA-N 2 0 342.465 -0.445 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)C[C@H]1C[NH3+] ZINC000904962177 650052484 /nfs/dbraw/zinc/05/24/84/650052484.db2.gz VIRAFZJFZVZRCJ-ZIAGYGMSSA-N 2 0 342.484 -0.145 20 0 EBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000904990118 650055893 /nfs/dbraw/zinc/05/58/93/650055893.db2.gz OKGGEEGCLJRLNL-ILXRZTDVSA-N 2 0 338.452 -0.746 20 0 EBADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000904991004 650056087 /nfs/dbraw/zinc/05/60/87/650056087.db2.gz SDOCISZMKVLXTB-KBPBESRZSA-N 2 0 326.441 -0.888 20 0 EBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)C[C@]2(C)C1 ZINC000904990880 650056201 /nfs/dbraw/zinc/05/62/01/650056201.db2.gz QPGQCEJBJLKGGH-JLSDUUJJSA-N 2 0 334.464 -0.001 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000904993457 650056752 /nfs/dbraw/zinc/05/67/52/650056752.db2.gz GZMJYAVFWLUGCQ-KFWWJZLASA-N 2 0 338.452 -0.624 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000905016399 650059817 /nfs/dbraw/zinc/05/98/17/650059817.db2.gz RNAWRZNFSBRWNW-OAHLLOKOSA-N 2 0 347.419 -0.823 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)CC1 ZINC000905448019 650063738 /nfs/dbraw/zinc/06/37/38/650063738.db2.gz WNWLUQRQLSUZND-NXEZZACHSA-N 2 0 335.317 -0.257 20 0 EBADRP CC[NH+]1CCN([C@H](C)CNC(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000906673872 650069371 /nfs/dbraw/zinc/06/93/71/650069371.db2.gz ZMFPWIDZTKDGAO-OAHLLOKOSA-N 2 0 325.501 -0.378 20 0 EBADRP CN1CC[N@H+](C)CC(C(=O)NCCCN2CCC[NH+](C)CC2)C1 ZINC000906684121 650070130 /nfs/dbraw/zinc/07/01/30/650070130.db2.gz WVOOTRQJIHXJGN-UHFFFAOYSA-N 2 0 325.501 -0.376 20 0 EBADRP CN1CC[N@H+](C)CC(C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C1 ZINC000906706716 650070267 /nfs/dbraw/zinc/07/02/67/650070267.db2.gz AQKSSBVTPSYDFS-KRWDZBQOSA-N 2 0 337.512 -0.282 20 0 EBADRP CC(C)[NH+]1CCN(CCC(=O)N[C@@H](CO)C[NH+]2CCCC2)CC1 ZINC000908205500 650098498 /nfs/dbraw/zinc/09/84/98/650098498.db2.gz VYWMJFMCYAZTBN-MRXNPFEDSA-N 2 0 326.485 -0.025 20 0 EBADRP C[NH+]1CCC(CNC(=O)C23CC[NH+](CC2)C3)(N2CCOCC2)CC1 ZINC000910405376 650110313 /nfs/dbraw/zinc/11/03/13/650110313.db2.gz FXVYKOLXLSHOPM-UHFFFAOYSA-N 2 0 336.480 -0.005 20 0 EBADRP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000910920884 650140628 /nfs/dbraw/zinc/14/06/28/650140628.db2.gz WQINCBPIOUNELZ-LSDHHAIUSA-N 2 0 338.452 -0.936 20 0 EBADRP CC(C)(CNC(=O)C(=O)N1CCNCC[NH2+]CC1)[NH+]1CCCCC1 ZINC000910957502 650142026 /nfs/dbraw/zinc/14/20/26/650142026.db2.gz KTOWGWHUGOSWQF-UHFFFAOYSA-N 2 0 339.484 -0.612 20 0 EBADRP CC(C)(CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)[NH+]1CCCCC1 ZINC000910957352 650142029 /nfs/dbraw/zinc/14/20/29/650142029.db2.gz KHDHFWUUTYPDGO-KRWDZBQOSA-N 2 0 340.468 -0.321 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000910960477 650142645 /nfs/dbraw/zinc/14/26/45/650142645.db2.gz VAYHHZASAJYVOT-HNNXBMFYSA-N 2 0 340.468 -0.188 20 0 EBADRP CC[NH+]1CCC(CCNC(=O)C(=O)N2CC[NH2+]C[C@@H]2COC)CC1 ZINC000910977060 650143055 /nfs/dbraw/zinc/14/30/55/650143055.db2.gz FDPDMQNVKXOUNI-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[NH2+]C[C@H]1CCOC ZINC000910980130 650143301 /nfs/dbraw/zinc/14/33/01/650143301.db2.gz YTKBTEDERCWION-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCCO1 ZINC000910983619 650143646 /nfs/dbraw/zinc/14/36/46/650143646.db2.gz IQKSQJSCANANNH-LXTVHRRPSA-N 2 0 338.452 -0.387 20 0 EBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)C2)CC1 ZINC000911035664 650147615 /nfs/dbraw/zinc/14/76/15/650147615.db2.gz SZIGKERTKWYJFW-LUYZLQTOSA-N 2 0 349.479 -0.720 20 0 EBADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000911066617 650148434 /nfs/dbraw/zinc/14/84/34/650148434.db2.gz KOGZFLQMQAVYQC-UHFFFAOYSA-N 2 0 339.484 -0.756 20 0 EBADRP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)N1CC[NH+](C)CC1 ZINC000911066671 650148651 /nfs/dbraw/zinc/14/86/51/650148651.db2.gz BNEMSJWXRIQDQP-RBSFLKMASA-N 2 0 339.484 -0.901 20 0 EBADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCNCC[NH2+]CC1)C(C)(C)C ZINC000911076473 650149072 /nfs/dbraw/zinc/14/90/72/650149072.db2.gz HBXGRAAILSKOBS-AWEZNQCLSA-N 2 0 341.500 -0.510 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000911068255 650149136 /nfs/dbraw/zinc/14/91/36/650149136.db2.gz VPFWSGMBWCHMHR-OAHLLOKOSA-N 2 0 340.468 -0.330 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000911092168 650150527 /nfs/dbraw/zinc/15/05/27/650150527.db2.gz QRLRZAUFLQCRSB-HUUCEWRRSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000911101546 650151816 /nfs/dbraw/zinc/15/18/16/650151816.db2.gz WITFJEDWWNINKD-BPLDGKMQSA-N 2 0 338.452 -0.530 20 0 EBADRP CN(C(=O)C(=O)NCC1([NH+](C)C)CCC1)C1(C[NH3+])CCOCC1 ZINC000911114784 650152158 /nfs/dbraw/zinc/15/21/58/650152158.db2.gz NHXOEUQGWHORON-UHFFFAOYSA-N 2 0 326.441 -0.447 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000911117123 650152184 /nfs/dbraw/zinc/15/21/84/650152184.db2.gz VOOVZKIPKQQTDT-CYBMUJFWSA-N 2 0 326.441 -0.576 20 0 EBADRP CCCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@H]2COC)CC1 ZINC000911114813 650152203 /nfs/dbraw/zinc/15/22/03/650152203.db2.gz NYEMACMMKUNJGG-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000911148282 650154228 /nfs/dbraw/zinc/15/42/28/650154228.db2.gz WEEDBZIKNUDNDY-VNHYZAJKSA-N 2 0 338.452 -0.435 20 0 EBADRP C[C@H]1C[C@H](NC(=O)C(=O)NCCN2CCC([NH3+])CC2)C[N@@H+]1C1CC1 ZINC000911147154 650154457 /nfs/dbraw/zinc/15/44/57/650154457.db2.gz OLRDWQBRAZKFOR-JSGCOSHPSA-N 2 0 337.468 -0.733 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[C@@H]1C[NH3+] ZINC000911148898 650154887 /nfs/dbraw/zinc/15/48/87/650154887.db2.gz SOUAKTLUZCIIAX-KBUPBQIOSA-N 2 0 338.452 -0.591 20 0 EBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)C1 ZINC000911162422 650155504 /nfs/dbraw/zinc/15/55/04/650155504.db2.gz RDWDWUUNQIEDFQ-CQSZACIVSA-N 2 0 340.468 -0.199 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911177768 650157107 /nfs/dbraw/zinc/15/71/07/650157107.db2.gz VMBRQYZSAJWEGH-UONOGXRCSA-N 2 0 326.441 -0.861 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000911238517 650161720 /nfs/dbraw/zinc/16/17/20/650161720.db2.gz QKGXENJVCVIGRG-CABCVRRESA-N 2 0 338.452 -0.434 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000911186628 650157882 /nfs/dbraw/zinc/15/78/82/650157882.db2.gz JPKDHVLSRAFKAK-KFWWJZLASA-N 2 0 340.468 -0.343 20 0 EBADRP C[C@@H](NC(=O)C(=O)NCCN1CCC([NH3+])CC1)C(C)(C)C[NH+](C)C ZINC000911197098 650159001 /nfs/dbraw/zinc/15/90/01/650159001.db2.gz DMVNASRCIFFZMO-CYBMUJFWSA-N 2 0 341.500 -0.382 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])CCSC1 ZINC000911199069 650159041 /nfs/dbraw/zinc/15/90/41/650159041.db2.gz JUSQNYYIXYYRRM-KCXAZCMYSA-N 2 0 340.493 -0.120 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911232024 650161335 /nfs/dbraw/zinc/16/13/35/650161335.db2.gz RFUKKGWBHDHRMR-CQSZACIVSA-N 2 0 328.457 -0.281 20 0 EBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911243847 650162849 /nfs/dbraw/zinc/16/28/49/650162849.db2.gz CIKORMZSYRISEN-CQSZACIVSA-N 2 0 340.468 -0.281 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000911248249 650163351 /nfs/dbraw/zinc/16/33/51/650163351.db2.gz VHTXXRHWSKFYGY-ZDUSSCGKSA-N 2 0 340.468 -0.141 20 0 EBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[NH2+]C[C@H]1CCOC ZINC000911257124 650163483 /nfs/dbraw/zinc/16/34/83/650163483.db2.gz DVZSGHAQNJEHQP-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911258062 650163508 /nfs/dbraw/zinc/16/35/08/650163508.db2.gz LYKZJWUJIKADQC-CQSZACIVSA-N 2 0 339.484 -0.756 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCCC1)C[NH+](C)C ZINC000911269399 650164348 /nfs/dbraw/zinc/16/43/48/650164348.db2.gz KOUFWLDDZPYTOT-CYBMUJFWSA-N 2 0 328.457 -0.153 20 0 EBADRP O=C(N[C@@H]1CCCN2CCSC[C@H]12)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911286952 650166862 /nfs/dbraw/zinc/16/68/62/650166862.db2.gz AYWMQANNSMSPKI-YNEHKIRRSA-N 2 0 326.466 -0.449 20 0 EBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911291678 650167416 /nfs/dbraw/zinc/16/74/16/650167416.db2.gz MRHDLZQRLJAVDU-RBSFLKMASA-N 2 0 340.468 -0.466 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911309485 650169503 /nfs/dbraw/zinc/16/95/03/650169503.db2.gz SOZABVYARMOXNG-QPSCCSFWSA-N 2 0 338.452 -0.842 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000911313167 650170703 /nfs/dbraw/zinc/17/07/03/650170703.db2.gz DEODZOODBASPDF-JXQTWKCFSA-N 2 0 326.441 -0.578 20 0 EBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911335745 650171722 /nfs/dbraw/zinc/17/17/22/650171722.db2.gz DYCTZWAHESISRU-QLFBSQMISA-N 2 0 340.468 -0.466 20 0 EBADRP CC[NH+](CC)CCCNC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911410933 650179211 /nfs/dbraw/zinc/17/92/11/650179211.db2.gz HOKDPJRNXDRLHB-UHFFFAOYSA-N 2 0 327.473 -0.626 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000911369972 650176187 /nfs/dbraw/zinc/17/61/87/650176187.db2.gz JMJYSUGNFLFUMP-UKRRQHHQSA-N 2 0 340.468 -0.330 20 0 EBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCCN3CCC([NH3+])CC3)CC[C@@H]21 ZINC000911411155 650179802 /nfs/dbraw/zinc/17/98/02/650179802.db2.gz KHHGCKKDHPKHGB-ZFWWWQNUSA-N 2 0 337.468 -0.922 20 0 EBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911415459 650180933 /nfs/dbraw/zinc/18/09/33/650180933.db2.gz XAIOOJKMGZJCBS-UHFFFAOYSA-N 2 0 325.457 -0.920 20 0 EBADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1cccnc1 ZINC000911418425 650181134 /nfs/dbraw/zinc/18/11/34/650181134.db2.gz GRQCYCOXYVXTEO-SOUVJXGZSA-N 2 0 331.420 -0.237 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1)C[NH+](C)C ZINC000911432989 650183149 /nfs/dbraw/zinc/18/31/49/650183149.db2.gz AHIDDNLACFXVTI-UONOGXRCSA-N 2 0 328.457 -0.282 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)C[NH+](C)C ZINC000911433033 650183199 /nfs/dbraw/zinc/18/31/99/650183199.db2.gz AUIQZZSWDSVBGB-XJKCOSOUSA-N 2 0 326.441 -0.591 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])C[NH+](C)C ZINC000911433920 650183520 /nfs/dbraw/zinc/18/35/20/650183520.db2.gz FBHBBPXXEUFEFF-MJBXVCDLSA-N 2 0 328.457 -0.345 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1)C[NH+](C)C ZINC000911434220 650183539 /nfs/dbraw/zinc/18/35/39/650183539.db2.gz GXCHWHPDIJAERQ-MELADBBJSA-N 2 0 328.457 -0.487 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC([NH3+])(CC)CC1)C[NH+](C)C ZINC000911433750 650183543 /nfs/dbraw/zinc/18/35/43/650183543.db2.gz DHOVSNUSJFTVTE-CYBMUJFWSA-N 2 0 328.457 -0.201 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1)C[NH+](C)C ZINC000911434225 650183569 /nfs/dbraw/zinc/18/35/69/650183569.db2.gz GXCHWHPDIJAERQ-MGPQQGTHSA-N 2 0 328.457 -0.487 20 0 EBADRP [NH3+][C@H]1CCc2cc(C(=O)NCCN3CC[NH2+]CC3)ccc2NC1=O ZINC000911693499 650195559 /nfs/dbraw/zinc/19/55/59/650195559.db2.gz KIJXFKDGOUSVJV-AWEZNQCLSA-N 2 0 331.420 -0.466 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CCO1 ZINC000911563068 650193789 /nfs/dbraw/zinc/19/37/89/650193789.db2.gz IRQYCNFGDSCIJY-IHRRRGAJSA-N 2 0 326.441 -0.591 20 0 EBADRP CC(C)[NH+]1CCN(CCCC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000913352866 650231945 /nfs/dbraw/zinc/23/19/45/650231945.db2.gz YOUYXSHGDVAZGQ-INIZCTEOSA-N 2 0 326.485 -0.025 20 0 EBADRP O=C(NC12CC[NH+](CC1)C2)[C@H]1CC[C@@H]1C(=O)NC12CC[NH+](CC1)C2 ZINC000913638027 650242206 /nfs/dbraw/zinc/24/22/06/650242206.db2.gz RJDURDTWVVVJMK-KBPBESRZSA-N 2 0 332.448 -0.059 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000919071525 650294863 /nfs/dbraw/zinc/29/48/63/650294863.db2.gz KZYRSUBYDBUFPW-OAGGEKHMSA-N 2 0 339.484 -0.215 20 0 EBADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](O)COC1CCOCC1 ZINC000923343050 650338062 /nfs/dbraw/zinc/33/80/62/650338062.db2.gz BFYDSCFXGQJOIQ-HUUCEWRRSA-N 2 0 343.468 -0.138 20 0 EBADRP Cc1cc(N2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)n2ncnc2n1 ZINC000923324643 650338112 /nfs/dbraw/zinc/33/81/12/650338112.db2.gz XREULYJCESELSG-AWEZNQCLSA-N 2 0 343.435 -0.067 20 0 EBADRP [NH3+]CC(C[NH3+])NCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000923352321 650338546 /nfs/dbraw/zinc/33/85/46/650338546.db2.gz UWZFMVMJUREOCT-UHFFFAOYSA-N 2 0 325.844 -0.136 20 0 EBADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923416533 650339412 /nfs/dbraw/zinc/33/94/12/650339412.db2.gz YOGMOVMRUAHJGV-TUVASFSCSA-N 2 0 327.425 -0.113 20 0 EBADRP COC[C@H](C)OC[C@H](O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923416261 650339506 /nfs/dbraw/zinc/33/95/06/650339506.db2.gz VACQPBAIVGZNGY-AHDPXTMNSA-N 2 0 343.424 -0.734 20 0 EBADRP COCCOC[C@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000923432025 650340112 /nfs/dbraw/zinc/34/01/12/650340112.db2.gz UVHSDKTZPISCQO-IXDOHACOSA-N 2 0 327.469 -0.089 20 0 EBADRP C[C@H](NC(=O)C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1)C(=O)N(C)C ZINC000923448307 650341235 /nfs/dbraw/zinc/34/12/35/650341235.db2.gz BNHIKBKHSABYSW-QWHCGFSZSA-N 2 0 326.441 -0.591 20 0 EBADRP O=C(CCN1CC[NH2+]CC[NH2+]CC1)NC(=O)NCc1ccccc1 ZINC000923462893 650341804 /nfs/dbraw/zinc/34/18/04/650341804.db2.gz MGOURXLNQQKVCL-UHFFFAOYSA-N 2 0 333.436 -0.103 20 0 EBADRP C[NH+](C)CCOc1ccccc1CNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923602188 650346667 /nfs/dbraw/zinc/34/66/67/650346667.db2.gz GJFKUYZBZJLBKB-UHFFFAOYSA-N 2 0 342.465 -0.133 20 0 EBADRP CCOC[C@H](O)CN1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000923616327 650348257 /nfs/dbraw/zinc/34/82/57/650348257.db2.gz OWAZZQHZPBXBDF-KGLIPLIRSA-N 2 0 335.470 -0.917 20 0 EBADRP CCOC[C@H](O)CN1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000923616329 650348492 /nfs/dbraw/zinc/34/84/92/650348492.db2.gz OWAZZQHZPBXBDF-ZIAGYGMSSA-N 2 0 335.470 -0.917 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923626275 650349360 /nfs/dbraw/zinc/34/93/60/650349360.db2.gz NMZAYUXIHRYWOC-CQSZACIVSA-N 2 0 334.486 -0.431 20 0 EBADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923645491 650350520 /nfs/dbraw/zinc/35/05/20/650350520.db2.gz HFTVSQCTCJHEPI-KGLIPLIRSA-N 2 0 332.470 -0.645 20 0 EBADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923652266 650350795 /nfs/dbraw/zinc/35/07/95/650350795.db2.gz KLTJVTAQVZTWMR-HZSPNIEDSA-N 2 0 332.470 -0.503 20 0 EBADRP Cn1ccnc1CN([C@@H]1CC12CC[NH2+]CC2)S(=O)(=O)C1C[NH2+]C1 ZINC000923660206 650351542 /nfs/dbraw/zinc/35/15/42/650351542.db2.gz VKZBRGIDQFRXME-CYBMUJFWSA-N 2 0 339.465 -0.334 20 0 EBADRP C[C@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC[C@@H]1C[NH3+] ZINC000923704124 650353780 /nfs/dbraw/zinc/35/37/80/650353780.db2.gz STHLOUGVLTVISY-LSDHHAIUSA-N 2 0 332.514 -0.130 20 0 EBADRP O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926288615 650384706 /nfs/dbraw/zinc/38/47/06/650384706.db2.gz RNWFOCWSOCBDGN-LSDHHAIUSA-N 2 0 343.431 -0.202 20 0 EBADRP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000926334354 650386501 /nfs/dbraw/zinc/38/65/01/650386501.db2.gz TZOLLPVRKCRRIK-PBHICJAKSA-N 2 0 338.452 -0.615 20 0 EBADRP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000926334372 650386812 /nfs/dbraw/zinc/38/68/12/650386812.db2.gz TZOLLPVRKCRRIK-WMLDXEAASA-N 2 0 338.452 -0.615 20 0 EBADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926338906 650386891 /nfs/dbraw/zinc/38/68/91/650386891.db2.gz AGSNSMPZFYJPMM-JKIFEVAISA-N 2 0 338.452 -0.616 20 0 EBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)CC[C@H]21 ZINC000926368009 650389852 /nfs/dbraw/zinc/38/98/52/650389852.db2.gz PRKIPLBVYQALJV-CAOSSQGBSA-N 2 0 334.464 -0.003 20 0 EBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000926374553 650389863 /nfs/dbraw/zinc/38/98/63/650389863.db2.gz BWGPWRZTCMLXJI-INIZCTEOSA-N 2 0 326.441 -0.712 20 0 EBADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)[N@H+](C)C1 ZINC000926420930 650392051 /nfs/dbraw/zinc/39/20/51/650392051.db2.gz YVAVAONXBQPSLN-XGUBFFRZSA-N 2 0 340.468 -0.393 20 0 EBADRP CCO[C@@H](CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)C[NH+](C)C ZINC000926852741 651496654 /nfs/dbraw/zinc/49/66/54/651496654.db2.gz ZPQWQPOVOGAHGX-KGLIPLIRSA-N 2 0 343.472 -0.286 20 0 EBADRP CCO[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1)C[NH+](C)C ZINC000926843512 651496747 /nfs/dbraw/zinc/49/67/47/651496747.db2.gz FERGPQWTRRIICP-KGLIPLIRSA-N 2 0 344.456 -0.301 20 0 EBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927638965 651505552 /nfs/dbraw/zinc/50/55/52/651505552.db2.gz FZNPCHLHSMURCS-GOEBONIOSA-N 2 0 328.457 -0.149 20 0 EBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000927639757 651505686 /nfs/dbraw/zinc/50/56/86/651505686.db2.gz FNYMFIPCPHXRQG-GOEBONIOSA-N 2 0 326.441 -0.395 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@H]1CC[NH3+] ZINC000927828703 651507954 /nfs/dbraw/zinc/50/79/54/651507954.db2.gz GJPOVBXCDKHIKY-CHWSQXEVSA-N 2 0 336.440 -0.174 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@H]1CC[NH3+] ZINC000927827832 651508282 /nfs/dbraw/zinc/50/82/82/651508282.db2.gz PYYQOUXUDBFKHO-CHWSQXEVSA-N 2 0 336.440 -0.174 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)n1 ZINC000927899682 651511678 /nfs/dbraw/zinc/51/16/78/651511678.db2.gz ZBAUJQKVCLZCJQ-QWHCGFSZSA-N 2 0 334.424 -0.549 20 0 EBADRP O[C@@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)C[C@@]1(O)CCOC1 ZINC000929282777 651541204 /nfs/dbraw/zinc/54/12/04/651541204.db2.gz DKNXLRAAGZAOGZ-SJORKVTESA-N 2 0 328.453 -0.067 20 0 EBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[NH+](CC4CC4)C3)C[C@]2(C)C1 ZINC000929992409 651574994 /nfs/dbraw/zinc/57/49/94/651574994.db2.gz QQGJKPJVYQKENR-VKJFTORMSA-N 2 0 334.464 -0.003 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2cc(N(C)C)cc[nH+]2)C1 ZINC000930008305 651577482 /nfs/dbraw/zinc/57/74/82/651577482.db2.gz BUNGIIMWKRFSKQ-ZDUSSCGKSA-N 2 0 349.435 -0.399 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000930149445 651586435 /nfs/dbraw/zinc/58/64/35/651586435.db2.gz QPRMIJQXKPFUHT-AWEZNQCLSA-N 2 0 339.484 -0.804 20 0 EBADRP C[C@@H](O)[C@@H](O)C[N@@H+]1CCC[C@@]2(CCC[NH+](C[C@@H](O)[C@H](C)O)C2)C1 ZINC000930512844 651600529 /nfs/dbraw/zinc/60/05/29/651600529.db2.gz XBTLHEKZAUZYFE-DRRXZNNHSA-N 2 0 330.469 -0.352 20 0 EBADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000931611728 651636620 /nfs/dbraw/zinc/63/66/20/651636620.db2.gz QSKJSOMRTNQVND-LSDHHAIUSA-N 2 0 347.419 -0.959 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1)C[NH+](C)C ZINC000932463617 651681257 /nfs/dbraw/zinc/68/12/57/651681257.db2.gz HHCHFWZSSIYMSR-AWEZNQCLSA-N 2 0 342.484 -0.083 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CC)C[NH+](C)C ZINC000932467520 651681604 /nfs/dbraw/zinc/68/16/04/651681604.db2.gz JNUCZEWOTBXYDV-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1)C[NH+](C)C ZINC000932469068 651682981 /nfs/dbraw/zinc/68/29/81/651682981.db2.gz SQXMCDINGSULST-LSDHHAIUSA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@@H](C[NH+](C)C)NC(=O)Cc1n[nH]cc1C(=O)N[C@@H](C)C[NH+](C)C ZINC000935976122 651738667 /nfs/dbraw/zinc/73/86/67/651738667.db2.gz IKDOWRJEUZVEAL-RYUDHWBXSA-N 2 0 338.456 -0.302 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2CCN(C3C[NH+](CCCO)C3)CC2)CC[N@@H+]1C ZINC000941414468 652723587 /nfs/dbraw/zinc/72/35/87/652723587.db2.gz RXNXSHQMUGZWCM-DLBZAZTESA-N 2 0 338.496 -0.073 20 0 EBADRP CO[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000944465600 652777255 /nfs/dbraw/zinc/77/72/55/652777255.db2.gz LTAHSWGCEBVTEK-KBUPBQIOSA-N 2 0 338.452 -0.483 20 0 EBADRP CC(C)[C@H](C(=O)N1CCN(C2C[NH+](CCCO)C2)CC1)[NH+](C)C ZINC000941553999 652799930 /nfs/dbraw/zinc/79/99/30/652799930.db2.gz VHDBJZQIKAIBAF-MRXNPFEDSA-N 2 0 326.485 -0.217 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC000944517619 652826469 /nfs/dbraw/zinc/82/64/69/652826469.db2.gz WCPAORQTSBSRFK-LSDHHAIUSA-N 2 0 338.452 -0.480 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCN(C3C[NH+](C[C@H]4CCOC4)C3)CC2)C1 ZINC000941666203 652868700 /nfs/dbraw/zinc/86/87/00/652868700.db2.gz QMKHMSYCAASCAC-CVEARBPZSA-N 2 0 336.480 -0.197 20 0 EBADRP CC[C@@H](C(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1)[NH+](C)C ZINC000946927591 653274239 /nfs/dbraw/zinc/27/42/39/653274239.db2.gz LEURXWMPGWOSSQ-OLZOCXBDSA-N 2 0 326.441 -0.842 20 0 EBADRP C[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891403096 719423791 /nfs/dbraw/zinc/42/37/91/719423791.db2.gz HNLSWKFJBZTADG-DGAVXFQQSA-N 2 0 337.424 -0.343 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2C[N@H+](CCCF)C[C@@H]2O)n1 ZINC000958077384 722301560 /nfs/dbraw/zinc/30/15/60/722301560.db2.gz UIFRYKNSTRVAAU-ZFWWWQNUSA-N 2 0 341.431 -0.173 20 0 EBADRP O=C(NC[C@H]1C[N@H+](CCCO)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC000958176129 722318556 /nfs/dbraw/zinc/31/85/56/722318556.db2.gz QHFHYWMCJYGXDI-GJZGRUSLSA-N 2 0 325.453 -0.346 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)CC1 ZINC000958374230 722354141 /nfs/dbraw/zinc/35/41/41/722354141.db2.gz LPEPOELPWYLQCM-GJZGRUSLSA-N 2 0 336.440 -0.971 20 0 EBADRP Cn1cc(C[N@@H+]2C[C@H](O)[C@@H](CNC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC000958373999 722354187 /nfs/dbraw/zinc/35/41/87/722354187.db2.gz KLMDZTUPFLLNOZ-HOTGVXAUSA-N 2 0 335.452 -0.329 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)CC1 ZINC000958375438 722354299 /nfs/dbraw/zinc/35/42/99/722354299.db2.gz UEXRQIOQMJJZFL-CVEARBPZSA-N 2 0 335.452 -0.366 20 0 EBADRP Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958375658 722354360 /nfs/dbraw/zinc/35/43/60/722354360.db2.gz VKQGOUONGYXQHD-DOTOQJQBSA-N 2 0 349.479 -0.287 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CCCO)C[C@@H]2O)CC1 ZINC000958554558 722390205 /nfs/dbraw/zinc/39/02/05/722390205.db2.gz GBEBVJXYDRNXIR-HOTGVXAUSA-N 2 0 327.469 -0.102 20 0 EBADRP Cc1ncoc1C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958596029 722398836 /nfs/dbraw/zinc/39/88/36/722398836.db2.gz YBAZVGLGJQKNAQ-ZIAGYGMSSA-N 2 0 334.420 -0.012 20 0 EBADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000958911383 722652438 /nfs/dbraw/zinc/65/24/38/722652438.db2.gz JDVBQQBRHSZFKT-QPSCCSFWSA-N 2 0 338.452 -0.795 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCC4)C[C@H]32)CC[N@@H+]1C ZINC000959965660 722778360 /nfs/dbraw/zinc/77/83/60/722778360.db2.gz JOLNYIXMFZFLLX-DEQQHWRFSA-N 2 0 334.464 -0.005 20 0 EBADRP CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+](CCC1)C2 ZINC000960530320 722836885 /nfs/dbraw/zinc/83/68/85/722836885.db2.gz XUQRXLOABUZSKP-FOLVSLTJSA-N 2 0 334.464 -0.003 20 0 EBADRP CC(C)(C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)[NH+]1CCCC1 ZINC000961469471 723024054 /nfs/dbraw/zinc/02/40/54/723024054.db2.gz ZXVMLOKACLVJHB-SFDCQRBFSA-N 2 0 348.447 -0.288 20 0 EBADRP CC1CC[NH+](CC(=O)NC2CC(C[NH2+]Cc3nnnn3C)C2)CC1 ZINC000962457704 723257927 /nfs/dbraw/zinc/25/79/27/723257927.db2.gz XSYWUQRDCGRNAX-UHFFFAOYSA-N 2 0 335.456 -0.074 20 0 EBADRP Cn1cncc1C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001019168567 728814563 /nfs/dbraw/zinc/81/45/63/728814563.db2.gz KFTATPDZSVTEAJ-DHCNJQPXSA-N 2 0 345.447 -0.026 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+][C@@H]1CCC(=O)NC1=O)C2 ZINC000963631194 723458611 /nfs/dbraw/zinc/45/86/11/723458611.db2.gz HBIZRKXGXQYKIG-QOBXDFSBSA-N 2 0 348.447 -0.097 20 0 EBADRP O=C(N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)C12CCC[NH+](CCC1)C2 ZINC000969066026 725146657 /nfs/dbraw/zinc/14/66/57/725146657.db2.gz FOBGQKRONZFYQG-KGLIPLIRSA-N 2 0 348.447 -0.142 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](O)C1)[NH+](C)C ZINC000969805858 725218871 /nfs/dbraw/zinc/21/88/71/725218871.db2.gz ITPOYXNTLGXQMD-KBXIAJHMSA-N 2 0 340.468 -0.501 20 0 EBADRP C[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000969814066 725219779 /nfs/dbraw/zinc/21/97/79/725219779.db2.gz GRXKBATWQNBUHO-UKRRQHHQSA-N 2 0 343.493 -0.047 20 0 EBADRP CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1)[NH+](C)C ZINC000969846242 725222384 /nfs/dbraw/zinc/22/23/84/725222384.db2.gz QHNRMIFFIWAQAX-GDBMZVCRSA-N 2 0 340.468 -0.378 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC000969985685 725235194 /nfs/dbraw/zinc/23/51/94/725235194.db2.gz MHIVHOODNOGONQ-NEPJUHHUSA-N 2 0 325.413 -0.931 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CC[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)CC1 ZINC000970354676 725281855 /nfs/dbraw/zinc/28/18/55/725281855.db2.gz DYWZLTHMGFIDQB-UKRRQHHQSA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1C[NH+](CCN2C(=O)CCC2=O)C1 ZINC000970745143 725323099 /nfs/dbraw/zinc/32/30/99/725323099.db2.gz JUUYIEVNNKMVFI-CYBMUJFWSA-N 2 0 348.447 -0.332 20 0 EBADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1C[NH+](CCN2CCNC2=O)C1 ZINC000970746741 725323103 /nfs/dbraw/zinc/32/31/03/725323103.db2.gz NYQXBGIFRLPXOY-ZDUSSCGKSA-N 2 0 335.452 -0.456 20 0 EBADRP C[NH+](C)C1(C(=O)N2CC[C@@H]([N@H+](C)[C@@H]3CCC(=O)NC3=O)C2)CCC1 ZINC000971676851 725429823 /nfs/dbraw/zinc/42/98/23/725429823.db2.gz HURKROKAPBDSPP-CHWSQXEVSA-N 2 0 336.436 -0.191 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC000972355398 725505520 /nfs/dbraw/zinc/50/55/20/725505520.db2.gz VRFCSFDGDDOISI-STQMWFEESA-N 2 0 339.440 -0.589 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H]([N@H+](C)[C@H]3CCNC3=O)C2)cn1 ZINC000972522177 725540723 /nfs/dbraw/zinc/54/07/23/725540723.db2.gz HTRBAYPSRQRFFT-CABCVRRESA-N 2 0 348.451 -0.521 20 0 EBADRP Cc1cncn1CC(=O)N1CC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000993573764 725907836 /nfs/dbraw/zinc/90/78/36/725907836.db2.gz BVERUGKCWYHDKW-CABCVRRESA-N 2 0 347.419 -0.618 20 0 EBADRP O=C(N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1)C12CCC[NH+]1CCC2 ZINC001051697308 735332480 /nfs/dbraw/zinc/33/24/80/735332480.db2.gz BBKXXSQIPKGKOK-ZIAGYGMSSA-N 2 0 336.436 -0.680 20 0 EBADRP Cn1cc(CN[C@H]2CN(C(=O)[C@H]3CN(C)CCO3)CC2(C)C)nn1 ZINC000995610389 726279817 /nfs/dbraw/zinc/27/98/17/726279817.db2.gz ZZIUOWDUVRUBTD-KGLIPLIRSA-N 2 0 336.440 -0.528 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CCCC[NH+]4C)C[C@H]32)C1 ZINC000976532073 726337001 /nfs/dbraw/zinc/33/70/01/726337001.db2.gz JNICSZRMLRQZFW-AALSBFMBSA-N 2 0 334.464 -0.005 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC000976540945 726340774 /nfs/dbraw/zinc/34/07/74/726340774.db2.gz PHJNWDVVBVCIJR-RBGFHDKUSA-N 2 0 334.464 -0.149 20 0 EBADRP Cc1nccn1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C[C@H]21 ZINC000976542891 726341881 /nfs/dbraw/zinc/34/18/81/726341881.db2.gz QUPAONQSQQJFMS-XMSFWSCYSA-N 2 0 345.447 -0.038 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000976560403 726350520 /nfs/dbraw/zinc/35/05/20/726350520.db2.gz WCRSUQPNGUIDDT-UUAJXVIYSA-N 2 0 346.475 -0.005 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000976560401 726350770 /nfs/dbraw/zinc/35/07/70/726350770.db2.gz WCRSUQPNGUIDDT-NRKLIOEPSA-N 2 0 346.475 -0.005 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000996439778 726393951 /nfs/dbraw/zinc/39/39/51/726393951.db2.gz FFPFBJUWVMCMGP-CJNGLKHVSA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+][C@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC000996606420 726419919 /nfs/dbraw/zinc/41/99/19/726419919.db2.gz ILSOGILHPSJTPH-BNOWGMLFSA-N 2 0 336.436 -0.288 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)nc1=O ZINC000996610112 726419979 /nfs/dbraw/zinc/41/99/79/726419979.db2.gz JQYBKRYVPVVJFD-RYUDHWBXSA-N 2 0 336.440 -0.613 20 0 EBADRP C[NH+](C)C1(C(=O)N2CCC([NH2+][C@@H]3CCC(=O)NC3=O)CC2)CCC1 ZINC000996665022 726421596 /nfs/dbraw/zinc/42/15/96/726421596.db2.gz NWWATIFHDIJPIL-CYBMUJFWSA-N 2 0 336.436 -0.144 20 0 EBADRP NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000996673170 726421822 /nfs/dbraw/zinc/42/18/22/726421822.db2.gz SWLIRVUXLGQKED-OAHLLOKOSA-N 2 0 338.452 -0.304 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1)C1CC1 ZINC000996681249 726422091 /nfs/dbraw/zinc/42/20/91/726422091.db2.gz YMLUTOKNRZBGGS-UKRRQHHQSA-N 2 0 336.436 -0.288 20 0 EBADRP CC[C@H](C(=O)N1CCC([NH2+]CC(=O)N2CCOCC2)CC1)[NH+](C)C ZINC000996712449 726423446 /nfs/dbraw/zinc/42/34/46/726423446.db2.gz OZKLXQDIGDQPEI-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC([NH2+][C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC000997181936 726440265 /nfs/dbraw/zinc/44/02/65/726440265.db2.gz CRXYVJVMFDUGAX-TZMCWYRMSA-N 2 0 336.436 -0.286 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC([NH2+][C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC000997181933 726440278 /nfs/dbraw/zinc/44/02/78/726440278.db2.gz CRXYVJVMFDUGAX-GXTWGEPZSA-N 2 0 336.436 -0.286 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2nnnn2C)CC1 ZINC000998080884 726475103 /nfs/dbraw/zinc/47/51/03/726475103.db2.gz FJOVUNKTFBNAFN-GXTWGEPZSA-N 2 0 335.456 -0.264 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1)C(N)=O ZINC000999180179 726510048 /nfs/dbraw/zinc/51/00/48/726510048.db2.gz FQHBHZFDEJKONM-OLZOCXBDSA-N 2 0 336.440 -0.487 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC000999188598 726510471 /nfs/dbraw/zinc/51/04/71/726510471.db2.gz BWKIANZSUYWKEA-QLFBSQMISA-N 2 0 337.468 -0.068 20 0 EBADRP C[N@H+](CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC000999366732 726516528 /nfs/dbraw/zinc/51/65/28/726516528.db2.gz ZLFMBCDGZLFCRM-OCCSQVGLSA-N 2 0 336.436 -0.144 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCN2CCNC2=O)C1)[NH+](C)C ZINC000999488805 726520632 /nfs/dbraw/zinc/52/06/32/726520632.db2.gz HHWONGVGAZKTCJ-UONOGXRCSA-N 2 0 325.457 -0.068 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)nc1=O ZINC000999597994 726524018 /nfs/dbraw/zinc/52/40/18/726524018.db2.gz UCSMUNORBFCIQP-ZDUSSCGKSA-N 2 0 348.451 -0.183 20 0 EBADRP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000999704820 726528821 /nfs/dbraw/zinc/52/88/21/726528821.db2.gz BHBBCGIMCXLWSF-UHFFFAOYSA-N 2 0 334.424 -0.717 20 0 EBADRP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC000999711096 726529259 /nfs/dbraw/zinc/52/92/59/726529259.db2.gz VDCGXFXUIYLBCS-BPCQOVAHSA-N 2 0 334.420 -0.534 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCc2cn([C@H]3CC[NH+](CCCO)C3)nn2)C1 ZINC001000043353 726552950 /nfs/dbraw/zinc/55/29/50/726552950.db2.gz KDNQYPGXQSAQPY-ZFWWWQNUSA-N 2 0 336.440 -0.525 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)nc1=O ZINC001000084218 726554136 /nfs/dbraw/zinc/55/41/36/726554136.db2.gz YOWHIMREKCUNDV-ZDUSSCGKSA-N 2 0 336.440 -0.469 20 0 EBADRP CC[C@H]([NH2+][C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1)C(N)=O ZINC001000576260 726571722 /nfs/dbraw/zinc/57/17/22/726571722.db2.gz ZHATXCIBJUKDQY-ZFWWWQNUSA-N 2 0 340.468 -0.058 20 0 EBADRP CNC(=O)CN1CC=C(CNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001001253170 726599021 /nfs/dbraw/zinc/59/90/21/726599021.db2.gz SCGHKDSLBTUBGP-UHFFFAOYSA-N 2 0 348.451 -0.447 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2=CC[NH+](C[C@@H](O)Cn3cccn3)CC2)C1 ZINC001001446417 726606574 /nfs/dbraw/zinc/60/65/74/726606574.db2.gz NGOVUXIXOVQQAV-IAGOWNOFSA-N 2 0 347.463 -0.056 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC001002461348 726641502 /nfs/dbraw/zinc/64/15/02/726641502.db2.gz QGMBNFSRDKGZJE-AWEZNQCLSA-N 2 0 336.436 -0.190 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC(CNC(=O)[C@@H]3CCc4nccn4C3)C2)C1 ZINC001002776768 726647503 /nfs/dbraw/zinc/64/75/03/726647503.db2.gz KTCHPNCLHCHRAE-CABCVRRESA-N 2 0 345.447 -0.028 20 0 EBADRP C[NH+]1CCC(C(=O)NCC2CN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001002923203 726654574 /nfs/dbraw/zinc/65/45/74/726654574.db2.gz CYPKPDIWVBZTHG-UHFFFAOYSA-N 2 0 334.464 -0.001 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](CCN3CCNC3=O)CC2)C1 ZINC001003626956 726682569 /nfs/dbraw/zinc/68/25/69/726682569.db2.gz YHTVUNIDGYAADT-CQSZACIVSA-N 2 0 337.468 -0.066 20 0 EBADRP O=C(C[NH+]1CCCC1)NC1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC001004148575 726701492 /nfs/dbraw/zinc/70/14/92/726701492.db2.gz SWMMOTZKRZBECR-UHFFFAOYSA-N 2 0 336.436 -0.188 20 0 EBADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCN2CCNC2=O)CC1 ZINC001006401575 726767866 /nfs/dbraw/zinc/76/78/66/726767866.db2.gz SLJNDZQJPSRTKY-AWEZNQCLSA-N 2 0 337.468 -0.114 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001008884348 726821676 /nfs/dbraw/zinc/82/16/76/726821676.db2.gz SAFAOQPCJOBHCX-JONQDZQNSA-N 2 0 346.475 -0.003 20 0 EBADRP CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CCO2)C1=O ZINC001051800685 735404079 /nfs/dbraw/zinc/40/40/79/735404079.db2.gz DUJGZIBWZBDFCI-CABCVRRESA-N 2 0 338.452 -0.624 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H](C[NH2+]Cc3cnnn3C)C2)C1 ZINC001051823407 735415032 /nfs/dbraw/zinc/41/50/32/735415032.db2.gz AGFUUGSNNXUZCY-ZFWWWQNUSA-N 2 0 336.440 -0.526 20 0 EBADRP Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCO1 ZINC001051902124 735454708 /nfs/dbraw/zinc/45/47/08/735454708.db2.gz VLIVQEPVDXPGGF-HIFRSBDPSA-N 2 0 336.440 -0.526 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001014509164 727964287 /nfs/dbraw/zinc/96/42/87/727964287.db2.gz PZYNMSGAWXHYFU-SOUVJXGZSA-N 2 0 337.468 -0.068 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H](N2CC[NH+](CCCO)CC2)C1)[NH+](C)C ZINC001052042515 735517813 /nfs/dbraw/zinc/51/78/13/735517813.db2.gz CNYHCHKDVZLVRA-HZPDHXFCSA-N 2 0 326.485 -0.073 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCC3)C2)n1 ZINC001018861440 728696076 /nfs/dbraw/zinc/69/60/76/728696076.db2.gz SPJVHXRXEANUSY-AWEZNQCLSA-N 2 0 348.451 -0.519 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001018866265 728696421 /nfs/dbraw/zinc/69/64/21/728696421.db2.gz WCYKTCQTSWITEJ-QLFBSQMISA-N 2 0 338.452 -0.624 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001019774846 728988675 /nfs/dbraw/zinc/98/86/75/728988675.db2.gz KQYYKWIOKOWWSA-KBPBESRZSA-N 2 0 329.466 -0.293 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001020028548 729058367 /nfs/dbraw/zinc/05/83/67/729058367.db2.gz CCBZVQWTWJYPED-AAVRWANBSA-N 2 0 329.466 -0.248 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)n1 ZINC001020165192 729089138 /nfs/dbraw/zinc/08/91/38/729089138.db2.gz NUUABQXFBLKXQH-AVGNSLFASA-N 2 0 334.424 -0.816 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001020174447 729090693 /nfs/dbraw/zinc/09/06/93/729090693.db2.gz BHQOZVCAEWRJEO-ZQDZILKHSA-N 2 0 337.468 -0.021 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001020214612 729102602 /nfs/dbraw/zinc/10/26/02/729102602.db2.gz YVHFOTPEVFZPNV-AAVRWANBSA-N 2 0 336.436 -0.097 20 0 EBADRP O=C(N[C@@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001020406280 729160179 /nfs/dbraw/zinc/16/01/79/729160179.db2.gz OZQRNBJXCHWRGH-HUFQEZISSA-N 2 0 348.447 -0.635 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001021895200 729344352 /nfs/dbraw/zinc/34/43/52/729344352.db2.gz IFNWPWLHHWXRBS-XQQFMLRXSA-N 2 0 334.424 -0.361 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCCNC3=O)C2)n1 ZINC001022097190 729454613 /nfs/dbraw/zinc/45/46/13/729454613.db2.gz PUXAKKBFXMUHII-MJBXVCDLSA-N 2 0 348.451 -0.426 20 0 EBADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1)C(N)=O ZINC001022097273 729454664 /nfs/dbraw/zinc/45/46/64/729454664.db2.gz RATHPXCREQRLEP-XQQFMLRXSA-N 2 0 336.440 -0.441 20 0 EBADRP O=C(N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001022118962 729457381 /nfs/dbraw/zinc/45/73/81/729457381.db2.gz BBSBLSSICPQTKP-XGUBFFRZSA-N 2 0 334.424 -0.622 20 0 EBADRP O=C(N[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)C12CCC[NH+]1CCC2 ZINC001022361249 729484888 /nfs/dbraw/zinc/48/48/88/729484888.db2.gz PYEUTRRDMBNVKX-FRRDWIJNSA-N 2 0 334.420 -0.343 20 0 EBADRP O=C(N[C@@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001022452616 729495507 /nfs/dbraw/zinc/49/55/07/729495507.db2.gz OZQRNBJXCHWRGH-FUQSPGTJSA-N 2 0 348.447 -0.635 20 0 EBADRP CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1=O ZINC001022455175 729495675 /nfs/dbraw/zinc/49/56/75/729495675.db2.gz JWDXNMGKUCEBCH-UKEFIBGASA-N 2 0 348.447 -0.683 20 0 EBADRP CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)[NH+]1CCCC1 ZINC001022533690 729504722 /nfs/dbraw/zinc/50/47/22/729504722.db2.gz FFABHOSHTYDNSY-FRRDWIJNSA-N 2 0 336.436 -0.097 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC[N@@H+]1C ZINC001022596965 729516523 /nfs/dbraw/zinc/51/65/23/729516523.db2.gz XJSILVWUNGFNMD-QSLWVIQJSA-N 2 0 336.436 -0.241 20 0 EBADRP Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cnn(CC[NH+](C)C)c3)C2)[nH]1 ZINC001022838665 729536563 /nfs/dbraw/zinc/53/65/63/729536563.db2.gz VQFIJBXJFNOLNA-OKILXGFUSA-N 2 0 346.439 -0.078 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001023125708 729613714 /nfs/dbraw/zinc/61/37/14/729613714.db2.gz VSEHCLSVSVLSPO-ZDEQEGDKSA-N 2 0 336.440 -0.282 20 0 EBADRP O=C(NC[C@H]1CCC[N@H+](CCN2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001023703590 729755695 /nfs/dbraw/zinc/75/56/95/729755695.db2.gz OEVSYWHUFWPFQY-OAHLLOKOSA-N 2 0 349.479 -0.064 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001023796346 729800650 /nfs/dbraw/zinc/80/06/50/729800650.db2.gz BLEXTVLUPLCVCH-RRFJBIMHSA-N 2 0 338.452 -0.888 20 0 EBADRP C[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)CC1 ZINC001023797104 729801128 /nfs/dbraw/zinc/80/11/28/729801128.db2.gz UEGJTDZUPMMTPX-HUUCEWRRSA-N 2 0 338.452 -0.888 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001024267271 729867998 /nfs/dbraw/zinc/86/79/98/729867998.db2.gz ADYWZVIFUHNOKB-UONOGXRCSA-N 2 0 336.436 -0.284 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)nc1=O ZINC001025159624 730008584 /nfs/dbraw/zinc/00/85/84/730008584.db2.gz HQILXKWCBZLSEG-QWHCGFSZSA-N 2 0 336.440 -0.469 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001025684887 730069689 /nfs/dbraw/zinc/06/96/89/730069689.db2.gz XLSQDMTYDMJWRY-RBSFLKMASA-N 2 0 338.452 -0.746 20 0 EBADRP CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001025781743 730087052 /nfs/dbraw/zinc/08/70/52/730087052.db2.gz LYSXDOWLJRNZLP-NMNMXBMNSA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@H](O)Cn4cccn4)C[C@H]32)CC[N@@H+]1C ZINC001025792881 730089246 /nfs/dbraw/zinc/08/92/46/730089246.db2.gz BAHHKBXHPASVHV-NEMWNAMBSA-N 2 0 347.463 -0.369 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001026145986 730125514 /nfs/dbraw/zinc/12/55/14/730125514.db2.gz DGCBJPXQSHHXMD-LEOABGAYSA-N 2 0 333.436 -0.758 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CCO)[C@@H]3C2)n1 ZINC001026270082 730134841 /nfs/dbraw/zinc/13/48/41/730134841.db2.gz XCAVQLDDSMXXEJ-RRFJBIMHSA-N 2 0 335.452 -0.123 20 0 EBADRP Cn1nnnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001026401123 730143642 /nfs/dbraw/zinc/14/36/42/730143642.db2.gz VAYIVJAXGSEMCP-BFHYXJOUSA-N 2 0 345.451 -0.368 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2CCC([NH2+]CCN3CCNC3=O)CC2)C1 ZINC001026605438 730152189 /nfs/dbraw/zinc/15/21/89/730152189.db2.gz PDKDUAZOBDIVFQ-WLYUNCDWSA-N 2 0 337.468 -0.020 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)nc1=O ZINC001026938668 730173208 /nfs/dbraw/zinc/17/32/08/730173208.db2.gz LGAAPYVYLABVKW-ZDUSSCGKSA-N 2 0 348.451 -0.325 20 0 EBADRP CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1)[NH+](C)C ZINC001027042555 730184891 /nfs/dbraw/zinc/18/48/91/730184891.db2.gz IAEUWHWCKPYOIF-TZMCWYRMSA-N 2 0 338.456 -0.367 20 0 EBADRP CC1CC[NH+](CC(=O)N2CC[C@@H](C[NH2+]Cc3nnnn3C)C2)CC1 ZINC001027139108 730191934 /nfs/dbraw/zinc/19/19/34/730191934.db2.gz AHRXLLOENWCPHL-AWEZNQCLSA-N 2 0 335.456 -0.120 20 0 EBADRP CCCn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027215645 730199909 /nfs/dbraw/zinc/19/99/09/730199909.db2.gz KSIXFMZVNRHECO-KGLIPLIRSA-N 2 0 335.456 -0.027 20 0 EBADRP O=C(NC[C@H]1CC[N@H+](CCN2CCNC2=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001028545435 730311388 /nfs/dbraw/zinc/31/13/88/730311388.db2.gz QCAUTXXABWJOCF-ZBFHGGJFSA-N 2 0 349.479 -0.209 20 0 EBADRP O=C(C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)N1CCC1 ZINC001028544944 730311718 /nfs/dbraw/zinc/31/17/18/730311718.db2.gz LFXLZHDEJJMXLW-GOEBONIOSA-N 2 0 334.464 -0.001 20 0 EBADRP NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001028592282 730318615 /nfs/dbraw/zinc/31/86/15/730318615.db2.gz KJGYHKZKNQOPBU-ZFWWWQNUSA-N 2 0 338.452 -0.447 20 0 EBADRP NC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001028592281 730318719 /nfs/dbraw/zinc/31/87/19/730318719.db2.gz KJGYHKZKNQOPBU-UKRRQHHQSA-N 2 0 338.452 -0.447 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+](CC(=O)N3CCOCC3)C2)C1 ZINC001028986119 730378343 /nfs/dbraw/zinc/37/83/43/730378343.db2.gz PDYSDTDSXXVNFN-CABCVRRESA-N 2 0 338.452 -0.765 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[NH+]1C ZINC001057211621 737082708 /nfs/dbraw/zinc/08/27/08/737082708.db2.gz ALQCMEIINIYLHL-AWEZNQCLSA-N 2 0 328.457 -0.641 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CCN1CCNC1=O ZINC001029475299 730406961 /nfs/dbraw/zinc/40/69/61/730406961.db2.gz YDAUVEAKLAUUIG-CAOSSQGBSA-N 2 0 349.479 -0.116 20 0 EBADRP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001029478333 730407351 /nfs/dbraw/zinc/40/73/51/730407351.db2.gz JPISMZJFVYMJBE-CRWXNKLISA-N 2 0 336.436 -0.193 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3[C@@H]2CCC(=O)NC2=O)C1 ZINC001029553634 730410160 /nfs/dbraw/zinc/41/01/60/730410160.db2.gz XELOOJMEOIICGT-APIJFGDWSA-N 2 0 348.447 -0.191 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](C[C@H](O)CN3CCCC3=O)C2)C1 ZINC001032843687 730944282 /nfs/dbraw/zinc/94/42/82/730944282.db2.gz RQESLCKKFFOLEG-KFWWJZLASA-N 2 0 338.452 -0.888 20 0 EBADRP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001033582016 731043380 /nfs/dbraw/zinc/04/33/80/731043380.db2.gz NCNVZGHGGSAHPK-LSDHHAIUSA-N 2 0 337.468 -0.114 20 0 EBADRP NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001034693924 731150940 /nfs/dbraw/zinc/15/09/40/731150940.db2.gz JCSJLPWWNJJEBM-BUWUWWBNSA-N 2 0 336.436 -0.648 20 0 EBADRP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001035039656 731180012 /nfs/dbraw/zinc/18/00/12/731180012.db2.gz IGMDEWVZFHXUGA-VNHYZAJKSA-N 2 0 338.452 -0.042 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CCC[C@@H]2C[NH2+][C@@H]2CCNC2=O)cn1 ZINC001035075633 731182816 /nfs/dbraw/zinc/18/28/16/731182816.db2.gz OZTGXMMKTUVCMB-HUUCEWRRSA-N 2 0 348.451 -0.473 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3[C@@H]2CCC(=O)NC2=O)C1 ZINC001040006108 731572357 /nfs/dbraw/zinc/57/23/57/731572357.db2.gz REWXBGIWVRYWMA-APIJFGDWSA-N 2 0 348.447 -0.191 20 0 EBADRP CC[C@H](C(=O)N1CC[C@](O)(CNC(=O)C[N@H+](C)C(C)C)C1)[NH+](C)C ZINC001040100025 731598231 /nfs/dbraw/zinc/59/82/31/731598231.db2.gz MJQQHPQJSGDKQU-PBHICJAKSA-N 2 0 342.484 -0.254 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@]1(O)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001040100809 731598788 /nfs/dbraw/zinc/59/87/88/731598788.db2.gz RAXTWTQHLOGNSU-QGZVFWFLSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040183562 731635273 /nfs/dbraw/zinc/63/52/73/731635273.db2.gz ZMODMRLTUQKWEP-KRWDZBQOSA-N 2 0 342.484 -0.252 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001040358611 731712035 /nfs/dbraw/zinc/71/20/35/731712035.db2.gz IADFEWBIAGBYEA-YOEHRIQHSA-N 2 0 342.484 -0.252 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001040447074 731736916 /nfs/dbraw/zinc/73/69/16/731736916.db2.gz OBJYHJUXVYQWSE-NVXWUHKLSA-N 2 0 342.484 -0.396 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001040449219 731738526 /nfs/dbraw/zinc/73/85/26/731738526.db2.gz GDGHWELYRXKWRS-QGZVFWFLSA-N 2 0 340.468 -0.496 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001061426444 738537200 /nfs/dbraw/zinc/53/72/00/738537200.db2.gz PBTACNZFDZBXTK-ZIAGYGMSSA-N 2 0 326.441 -0.624 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001040797166 731878880 /nfs/dbraw/zinc/87/88/80/731878880.db2.gz CCPUWVLMNUYPDI-XJKSGUPXSA-N 2 0 328.457 -0.642 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040801212 731881024 /nfs/dbraw/zinc/88/10/24/731881024.db2.gz NVEMLUPXFSOOOD-KRWDZBQOSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001040902116 731911398 /nfs/dbraw/zinc/91/13/98/731911398.db2.gz PHMVNFBJBQNLFW-QGZVFWFLSA-N 2 0 342.484 -0.252 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@]2(O)CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001040927436 731924868 /nfs/dbraw/zinc/92/48/68/731924868.db2.gz RBTRJBLIFMYCQG-PBHICJAKSA-N 2 0 340.468 -0.641 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@@]2(CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001041830463 732235294 /nfs/dbraw/zinc/23/52/94/732235294.db2.gz IGKUXENTOYIKTL-RDTXWAMCSA-N 2 0 348.447 -0.188 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001042103694 732314468 /nfs/dbraw/zinc/31/44/68/732314468.db2.gz HEYIWMQRTXZRNF-KBPBESRZSA-N 2 0 338.452 -0.746 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H]3CC[N@H+](CCO)[C@H]3C2)cn1 ZINC001042266385 732381456 /nfs/dbraw/zinc/38/14/56/732381456.db2.gz MEGQGZODYDZIHA-HOCLYGCPSA-N 2 0 335.452 -0.027 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC001061600662 738641517 /nfs/dbraw/zinc/64/15/17/738641517.db2.gz RGLFONKWIMUINV-HNNXBMFYSA-N 2 0 338.452 -0.478 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001043159838 732795669 /nfs/dbraw/zinc/79/56/69/732795669.db2.gz JPRYVHJMQXFHJU-HNNXBMFYSA-N 2 0 340.468 -0.642 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)CC[N@@H+]1C ZINC001043264698 732849125 /nfs/dbraw/zinc/84/91/25/732849125.db2.gz UITYLFUEFRMNJW-ZIAGYGMSSA-N 2 0 338.452 -0.888 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)C1 ZINC001043429374 732933786 /nfs/dbraw/zinc/93/37/86/732933786.db2.gz AIKRYELVTBWLFV-UONOGXRCSA-N 2 0 340.468 -0.786 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001043429795 732934481 /nfs/dbraw/zinc/93/44/81/732934481.db2.gz GGEOILKJQREFPE-UHFFFAOYSA-N 2 0 340.468 -0.642 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001043429755 732934742 /nfs/dbraw/zinc/93/47/42/732934742.db2.gz FJFDLAVFAIHPEK-CQSZACIVSA-N 2 0 340.468 -0.500 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001043430269 732935099 /nfs/dbraw/zinc/93/50/99/732935099.db2.gz JGQYDMAULWMBQL-UHFFFAOYSA-N 2 0 328.457 -0.642 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001043433700 732938161 /nfs/dbraw/zinc/93/81/61/732938161.db2.gz WROOWPLLHGDGKY-CQSZACIVSA-N 2 0 340.468 -0.500 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001043463660 732955608 /nfs/dbraw/zinc/95/56/08/732955608.db2.gz PGWKUNDPKNZNMO-OAHLLOKOSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[NH+](C)C(C)(C)C(=O)NCC1(O)CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001043612629 733023803 /nfs/dbraw/zinc/02/38/03/733023803.db2.gz JDKFAAGLWGJLFG-UHFFFAOYSA-N 2 0 342.484 -0.252 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001043774069 733107394 /nfs/dbraw/zinc/10/73/94/733107394.db2.gz RYLJVFUHJXZFPY-KBPBESRZSA-N 2 0 338.452 -0.888 20 0 EBADRP CC[C@@H](C(=O)N1CC(O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1)[NH+](C)C ZINC001044011016 733244177 /nfs/dbraw/zinc/24/41/77/733244177.db2.gz HFMRUCISXIATMW-KGLIPLIRSA-N 2 0 340.468 -0.642 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001044041182 733257627 /nfs/dbraw/zinc/25/76/27/733257627.db2.gz DOQAQAHUXFYZGW-AWEZNQCLSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[C@@H](C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1)[NH+](C)C ZINC001044044358 733260443 /nfs/dbraw/zinc/26/04/43/733260443.db2.gz OTWHHSSRLRHCAW-ZDUSSCGKSA-N 2 0 326.441 -0.888 20 0 EBADRP C[NH+](C)CCCCC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001044247050 733338922 /nfs/dbraw/zinc/33/89/22/733338922.db2.gz UEXPEDKNMKPADA-UHFFFAOYSA-N 2 0 328.457 -0.641 20 0 EBADRP C[NH+](C)CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001044251650 733340352 /nfs/dbraw/zinc/34/03/52/733340352.db2.gz ORTTUDCUHSKSBS-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001044287538 733356947 /nfs/dbraw/zinc/35/69/47/733356947.db2.gz MZLKROWOMVHXGI-CQSZACIVSA-N 2 0 328.457 -0.786 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001044291045 733360983 /nfs/dbraw/zinc/36/09/83/733360983.db2.gz LUOYAGPOWIYSKK-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)CC[NH+](C)CC)C1 ZINC001044291181 733361130 /nfs/dbraw/zinc/36/11/30/733361130.db2.gz NGHCWKKJBCZOFV-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001044299300 733367700 /nfs/dbraw/zinc/36/77/00/733367700.db2.gz ZUJVEOVHWZXUEM-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044857053 733526057 /nfs/dbraw/zinc/52/60/57/733526057.db2.gz DVHUTHZVNLFNKS-OLZOCXBDSA-N 2 0 336.440 -0.327 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)CCc3c[nH]cn3)C2)CC1 ZINC001045392372 733684547 /nfs/dbraw/zinc/68/45/47/733684547.db2.gz UOXQMYNHMYIZTN-UHFFFAOYSA-N 2 0 349.435 -0.626 20 0 EBADRP C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001045412343 733689460 /nfs/dbraw/zinc/68/94/60/733689460.db2.gz AGUMHNHDCRBTAT-OAHLLOKOSA-N 2 0 340.468 -0.642 20 0 EBADRP CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1)[NH+](C)C ZINC001045413423 733690010 /nfs/dbraw/zinc/69/00/10/733690010.db2.gz NYJIXUIZLQECGV-OAHLLOKOSA-N 2 0 342.484 -0.396 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)CCC[NH+](C)C)C2)C1 ZINC001045418210 733691784 /nfs/dbraw/zinc/69/17/84/733691784.db2.gz SJIUUNOHKPEQHH-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP CC1(NC(=O)C23CC[NH+](CC2)C3)CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001045621918 733738854 /nfs/dbraw/zinc/73/88/54/733738854.db2.gz VIWOMTPTKZNUHF-ZDUSSCGKSA-N 2 0 348.447 -0.142 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC3(CO2)CC[NH+](CCO)CC3)C1 ZINC001045685066 733753941 /nfs/dbraw/zinc/75/39/41/733753941.db2.gz DTFWBXDKEDGDIS-CABCVRRESA-N 2 0 325.453 -0.082 20 0 EBADRP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001045719755 733759674 /nfs/dbraw/zinc/75/96/74/733759674.db2.gz CNMZCYWHVDMOCF-UHFFFAOYSA-N 2 0 326.441 -0.888 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001046010381 733798978 /nfs/dbraw/zinc/79/89/78/733798978.db2.gz MBPAYRJZFBZPST-LSDHHAIUSA-N 2 0 337.468 -0.955 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3[nH]cnc3C)CC2)C1 ZINC001046080802 733853567 /nfs/dbraw/zinc/85/35/67/733853567.db2.gz LCZLOAPBSIHJAK-CQSZACIVSA-N 2 0 348.451 -0.775 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046536360 733958346 /nfs/dbraw/zinc/95/83/46/733958346.db2.gz URURENAMAICJQQ-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001046671685 733995294 /nfs/dbraw/zinc/99/52/94/733995294.db2.gz KLNLAFULVATMHD-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001046676855 733999123 /nfs/dbraw/zinc/99/91/23/733999123.db2.gz MXXOZBSJBDRUOJ-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001046696723 734008811 /nfs/dbraw/zinc/00/88/11/734008811.db2.gz ZCBCLHVWXARXCD-UHFFFAOYSA-N 2 0 342.484 -0.395 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001061859595 738789577 /nfs/dbraw/zinc/78/95/77/738789577.db2.gz MSGQBYRNNYIJAP-CQSZACIVSA-N 2 0 340.468 -0.377 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001061859776 738789763 /nfs/dbraw/zinc/78/97/63/738789763.db2.gz ORRWWLNSVCONRA-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP C[C@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnc3c2CCCC3)C1 ZINC001047460555 734206833 /nfs/dbraw/zinc/20/68/33/734206833.db2.gz LKVKPSGJYGRZSP-RCBQFDQVSA-N 2 0 336.436 -0.354 20 0 EBADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CN(CC(=O)NC2CC2)C[C@@H]1O ZINC001047595929 734273935 /nfs/dbraw/zinc/27/39/35/734273935.db2.gz KOOBURWXNKVAIX-SNPRPXQTSA-N 2 0 338.452 -0.890 20 0 EBADRP Cc1cc(CN2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)ncn1 ZINC001047628153 734290153 /nfs/dbraw/zinc/29/01/53/734290153.db2.gz CRMNFIQCBBCUDH-BPUTZDHNSA-N 2 0 333.436 -0.260 20 0 EBADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001047629046 734290862 /nfs/dbraw/zinc/29/08/62/734290862.db2.gz QUEWFEYPYBXGBZ-JYJNAYRXSA-N 2 0 335.452 -0.582 20 0 EBADRP C[C@H]([NH2+]Cc1nnnn1C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001048036666 734336693 /nfs/dbraw/zinc/33/66/93/734336693.db2.gz GGURYDXUMBLQCE-QWHCGFSZSA-N 2 0 333.440 -0.368 20 0 EBADRP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818735 734522856 /nfs/dbraw/zinc/52/28/56/734522856.db2.gz LRUYMJUYEDXNIP-CAOSSQGBSA-N 2 0 334.464 -0.003 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048824040 734525826 /nfs/dbraw/zinc/52/58/26/734525826.db2.gz QQTNDSIQMCUWKB-QKPAOTATSA-N 2 0 332.448 -0.393 20 0 EBADRP O=C(C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C1)N1CCC1 ZINC001048824106 734526225 /nfs/dbraw/zinc/52/62/25/734526225.db2.gz TXRWURMCGFBOFL-BBWFWOEESA-N 2 0 346.475 -0.049 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@H]4CCNC4=O)C[C@@H]3C2)CC[N@@H+]1C ZINC001048828565 734527849 /nfs/dbraw/zinc/52/78/49/734527849.db2.gz YWYOYVCAERKHNB-NPJQDHAYSA-N 2 0 334.464 -0.005 20 0 EBADRP CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O)[NH+](C)C ZINC001049027866 734620488 /nfs/dbraw/zinc/62/04/88/734620488.db2.gz YQJNGKAHNPJWGF-RDBSUJKOSA-N 2 0 328.457 -0.692 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+](CC(=O)NC4CC4)C[C@@H]3C2)C1 ZINC001049057280 734629065 /nfs/dbraw/zinc/62/90/65/734629065.db2.gz CWUHINMIEWQJFW-SOUVJXGZSA-N 2 0 334.464 -0.003 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001049118640 734651879 /nfs/dbraw/zinc/65/18/79/734651879.db2.gz AMMTZYSSDNFGOY-KKUMJFAQSA-N 2 0 342.484 -0.302 20 0 EBADRP CN1CCC[C@H]([N@H+]2C[C@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@H]3C2)C1=O ZINC001049212234 734686745 /nfs/dbraw/zinc/68/67/45/734686745.db2.gz AFIFRFMAUVHEHV-JONQDZQNSA-N 2 0 334.464 -0.051 20 0 EBADRP O=C(N1CCC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001050184443 734863846 /nfs/dbraw/zinc/86/38/46/734863846.db2.gz GEGPVTZKIAXWTH-RRFJBIMHSA-N 2 0 332.448 -0.107 20 0 EBADRP COc1nccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CCO2)n1 ZINC001051494086 735196750 /nfs/dbraw/zinc/19/67/50/735196750.db2.gz RZGUFMUHHNLIPP-HUUCEWRRSA-N 2 0 349.435 -0.104 20 0 EBADRP COCC[NH+]1CCN([C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001052108938 735551350 /nfs/dbraw/zinc/55/13/50/735551350.db2.gz TVFRDYAUOSMCPD-MRXNPFEDSA-N 2 0 336.480 -0.053 20 0 EBADRP C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001053035716 735741232 /nfs/dbraw/zinc/74/12/32/735741232.db2.gz XGULSEJTZLJXHR-LSDHHAIUSA-N 2 0 342.484 -0.273 20 0 EBADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001054736068 736236906 /nfs/dbraw/zinc/23/69/06/736236906.db2.gz KXPWJZUZSKEDGY-UONOGXRCSA-N 2 0 337.468 -0.068 20 0 EBADRP COCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001055494925 736356875 /nfs/dbraw/zinc/35/68/75/736356875.db2.gz BNKOLRWOUBCBKZ-AWEZNQCLSA-N 2 0 326.441 -0.576 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)c3cn[nH]n3)CC2)C1 ZINC001055578827 736392422 /nfs/dbraw/zinc/39/24/22/736392422.db2.gz WEYSPRJKQPYPNE-GFCCVEGCSA-N 2 0 349.439 -0.933 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)c2cnon2)CC1 ZINC001055633543 736417148 /nfs/dbraw/zinc/41/71/48/736417148.db2.gz RMNZIOKWYAVXBT-UHFFFAOYSA-N 2 0 338.412 -0.668 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001056104586 736643315 /nfs/dbraw/zinc/64/33/15/736643315.db2.gz DZBVKLAAEZZWDC-KRWDZBQOSA-N 2 0 342.484 -0.252 20 0 EBADRP CC(C)[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)C ZINC001057212942 737087259 /nfs/dbraw/zinc/08/72/59/737087259.db2.gz ZRQJYBLNCPJMTB-GJZGRUSLSA-N 2 0 342.484 -0.396 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCCN(CCO)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001057636713 737376980 /nfs/dbraw/zinc/37/69/80/737376980.db2.gz XJUXUAABGJDDPM-GJZGRUSLSA-N 2 0 340.468 -0.783 20 0 EBADRP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001057658941 737395888 /nfs/dbraw/zinc/39/58/88/737395888.db2.gz HQSUKJJXKKVKCM-LSDHHAIUSA-N 2 0 342.484 -0.537 20 0 EBADRP CC[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC001057739058 737427468 /nfs/dbraw/zinc/42/74/68/737427468.db2.gz JXDCUWLHYMJISZ-RBSFLKMASA-N 2 0 342.484 -0.396 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001057816075 737446624 /nfs/dbraw/zinc/44/66/24/737446624.db2.gz RJXPKYPISJFITL-CQSZACIVSA-N 2 0 348.463 -0.445 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001057863194 737483387 /nfs/dbraw/zinc/48/33/87/737483387.db2.gz ISRAEWVDDBBDDM-AWEZNQCLSA-N 2 0 328.457 -0.642 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(CCO)CCNC(=O)CCCC[NH+](C)C ZINC001057863197 737483545 /nfs/dbraw/zinc/48/35/45/737483545.db2.gz IUZJGUOSTLGAAH-UHFFFAOYSA-N 2 0 344.500 -0.004 20 0 EBADRP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)C1([NH+](C)C)CCC1 ZINC001057875521 737494558 /nfs/dbraw/zinc/49/45/58/737494558.db2.gz YZQHYHCPXSIEPF-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001057876328 737495601 /nfs/dbraw/zinc/49/56/01/737495601.db2.gz HLVWKLLPIXGWHT-GJZGRUSLSA-N 2 0 340.468 -0.642 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001057876596 737496246 /nfs/dbraw/zinc/49/62/46/737496246.db2.gz NKWLHYUNAUOJPA-HUUCEWRRSA-N 2 0 340.468 -0.785 20 0 EBADRP C[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001057876965 737496954 /nfs/dbraw/zinc/49/69/54/737496954.db2.gz WAILISAQBVHDFD-OAHLLOKOSA-N 2 0 328.457 -0.785 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)C[NH+](C)C1CCC1 ZINC001057903635 737522683 /nfs/dbraw/zinc/52/26/83/737522683.db2.gz RCWIIVCFFJKQOQ-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[C@H](C(=O)N(CCO)CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001057975053 737571840 /nfs/dbraw/zinc/57/18/40/737571840.db2.gz DFUJTEFFBDPVGC-HUUCEWRRSA-N 2 0 342.484 -0.395 20 0 EBADRP C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001058038939 737601048 /nfs/dbraw/zinc/60/10/48/737601048.db2.gz KTHUUAMYFAPNAN-OAHLLOKOSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001058038827 737601379 /nfs/dbraw/zinc/60/13/79/737601379.db2.gz HPHOUUQUCXMTRX-OAHLLOKOSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001058158127 737680892 /nfs/dbraw/zinc/68/08/92/737680892.db2.gz QLQVFOYHPDQACY-HNNXBMFYSA-N 2 0 342.484 -0.393 20 0 EBADRP C[NH+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001058159514 737683326 /nfs/dbraw/zinc/68/33/26/737683326.db2.gz MJVZVWZCWUMCFP-LSDHHAIUSA-N 2 0 340.468 -0.783 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001058163398 737687052 /nfs/dbraw/zinc/68/70/52/737687052.db2.gz GYICTSFMOOOUCT-UHFFFAOYSA-N 2 0 340.468 -0.639 20 0 EBADRP CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H](C1CC1)[NH+](C)C)[NH+](C)C ZINC001058168399 737690160 /nfs/dbraw/zinc/69/01/60/737690160.db2.gz CRENJEFDEBEKSB-LSDHHAIUSA-N 2 0 342.484 -0.396 20 0 EBADRP CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC001058250626 737733231 /nfs/dbraw/zinc/73/32/31/737733231.db2.gz AQPRYMIXPHJMIA-LSDHHAIUSA-N 2 0 344.500 -0.150 20 0 EBADRP CCC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)C[NH+](C)C(C)C ZINC001058252287 737734863 /nfs/dbraw/zinc/73/48/63/737734863.db2.gz CTMJHVWHESQRCO-UHFFFAOYSA-N 2 0 344.500 -0.004 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)C[NH+]1CCC[C@H]1C ZINC001058255063 737736576 /nfs/dbraw/zinc/73/65/76/737736576.db2.gz AQZNPSOQXVQHQV-OAHLLOKOSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)CC1(C(=O)N(CCO)CCNC(=O)Cc2c[nH]cn2)CC1 ZINC001058601902 737917176 /nfs/dbraw/zinc/91/71/76/737917176.db2.gz UIAVLJMPKXPYTQ-UHFFFAOYSA-N 2 0 337.424 -0.769 20 0 EBADRP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)CCc1c[nH]cn1 ZINC001058709066 737959816 /nfs/dbraw/zinc/95/98/16/737959816.db2.gz GKKDZKOXQNXWOF-UHFFFAOYSA-N 2 0 325.413 -0.769 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058710884 737961509 /nfs/dbraw/zinc/96/15/09/737961509.db2.gz SUXCZGKCHAJEGJ-KGLIPLIRSA-N 2 0 328.457 -0.927 20 0 EBADRP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001058710787 737961559 /nfs/dbraw/zinc/96/15/59/737961559.db2.gz PAHROIJCFFZTDI-UHFFFAOYSA-N 2 0 342.484 -0.393 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058711006 737961841 /nfs/dbraw/zinc/96/18/41/737961841.db2.gz YJTOQPHSDCLTHO-UHFFFAOYSA-N 2 0 330.473 -0.395 20 0 EBADRP CC[C@@H](C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)[NH+](CC)CC ZINC001058712232 737962641 /nfs/dbraw/zinc/96/26/41/737962641.db2.gz PXRHKQIOIJKIRT-HNNXBMFYSA-N 2 0 344.500 -0.004 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001058844181 738023852 /nfs/dbraw/zinc/02/38/52/738023852.db2.gz WEFUUUTXBJLPJL-AWEZNQCLSA-N 2 0 328.457 -0.641 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001058845205 738025359 /nfs/dbraw/zinc/02/53/59/738025359.db2.gz HYIXCYRXRRYLKU-LSDHHAIUSA-N 2 0 340.468 -0.641 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC001058849458 738032412 /nfs/dbraw/zinc/03/24/12/738032412.db2.gz UUVSUTJAHBGVLJ-LSDHHAIUSA-N 2 0 342.484 -0.537 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001065169407 739574318 /nfs/dbraw/zinc/57/43/18/739574318.db2.gz LPEDRVVQOLZETK-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001065535964 739748467 /nfs/dbraw/zinc/74/84/67/739748467.db2.gz SMGCYROPDCPTKS-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001065574232 739770597 /nfs/dbraw/zinc/77/05/97/739770597.db2.gz DDQITPQXFITLJZ-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CN(C(=O)CC[NH+](C)C)CCO2)C1 ZINC001065575746 739772267 /nfs/dbraw/zinc/77/22/67/739772267.db2.gz GNCBVFMKIGUGKL-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001065621199 739808776 /nfs/dbraw/zinc/80/87/76/739808776.db2.gz KHXBNSNVMWRJCA-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001065621197 739808939 /nfs/dbraw/zinc/80/89/39/739808939.db2.gz KHXBNSNVMWRJCA-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)CCO2 ZINC001068356699 740294486 /nfs/dbraw/zinc/29/44/86/740294486.db2.gz FHLLLGAXUFNIIO-AWEZNQCLSA-N 2 0 338.452 -0.528 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068878134 740479234 /nfs/dbraw/zinc/47/92/34/740479234.db2.gz CBURZCZPATVYNC-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[C@H](C(=O)N[C@@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1)[NH+](C)C ZINC001068913488 740491024 /nfs/dbraw/zinc/49/10/24/740491024.db2.gz SIBBMNHRVSQEBR-UONOGXRCSA-N 2 0 340.468 -0.236 20 0 EBADRP CC[C@@H](C(=O)N[C@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1)[NH+](C)C ZINC001068935599 740499979 /nfs/dbraw/zinc/49/99/79/740499979.db2.gz SIBBMNHRVSQEBR-KGLIPLIRSA-N 2 0 340.468 -0.236 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068992398 740516594 /nfs/dbraw/zinc/51/65/94/740516594.db2.gz JYUQKSQVFHDVBH-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[C@H](C(=O)N1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2)[NH+](C)C ZINC001069012507 740522806 /nfs/dbraw/zinc/52/28/06/740522806.db2.gz FRBJLRVPOXWHED-UONOGXRCSA-N 2 0 340.468 -0.236 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001069009783 740522822 /nfs/dbraw/zinc/52/28/22/740522822.db2.gz YZLDOVWRWBTAJV-KGLIPLIRSA-N 2 0 338.452 -0.482 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069015269 740523998 /nfs/dbraw/zinc/52/39/98/740523998.db2.gz PTVZJSDCUMNAJI-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001069038262 740527369 /nfs/dbraw/zinc/52/73/69/740527369.db2.gz AEEWWJJRTKXFMH-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(N2CC[C@@H]([NH2+]CCO)C2)n1 ZINC001069838303 740585537 /nfs/dbraw/zinc/58/55/37/740585537.db2.gz SOHYASGJGWPPSQ-CVEARBPZSA-N 2 0 347.463 -0.047 20 0 EBADRP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001070078088 740686019 /nfs/dbraw/zinc/68/60/19/740686019.db2.gz VBYSDZUQPNYDEV-ZNMIVQPWSA-N 2 0 348.451 -0.250 20 0 EBADRP O=C(N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)C12CCC[NH+](CCC1)C2 ZINC001070216082 740753079 /nfs/dbraw/zinc/75/30/79/740753079.db2.gz BDQKCUMREJPRPJ-CABCVRRESA-N 2 0 348.451 -0.512 20 0 EBADRP O=C(NCc1c[nH]nc1[C@@H]1CC[N@@H+](CCO)C1)C12CC[NH+](CC1)C2 ZINC001070432492 740823664 /nfs/dbraw/zinc/82/36/64/740823664.db2.gz HIZUVGOQXXJYQO-CYBMUJFWSA-N 2 0 333.436 -0.097 20 0 EBADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cn(C)cn1 ZINC001070555624 740861752 /nfs/dbraw/zinc/86/17/52/740861752.db2.gz JHHJYLPLVIFUSR-OFQRWUPVSA-N 2 0 347.463 -0.219 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)CCc3cncn3C)C[C@H]2[NH2+]CCO)c1 ZINC001070559629 740862977 /nfs/dbraw/zinc/86/29/77/740862977.db2.gz JTWFOUAEGLLINZ-GOEBONIOSA-N 2 0 346.435 -0.337 20 0 EBADRP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CCO ZINC001070647911 740908795 /nfs/dbraw/zinc/90/87/95/740908795.db2.gz JPTUENDWYXKMEE-BZUAXINKSA-N 2 0 347.463 -0.362 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1 ZINC001070689867 740920897 /nfs/dbraw/zinc/92/08/97/740920897.db2.gz TXLZFFZMCAFUHA-MGPQQGTHSA-N 2 0 348.451 -0.726 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001072433585 741399238 /nfs/dbraw/zinc/39/92/38/741399238.db2.gz YGSJISOJTDRRAY-HUUCEWRRSA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001072624005 741445324 /nfs/dbraw/zinc/44/53/24/741445324.db2.gz HPSWWQAUNUCVEG-LSDHHAIUSA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NC(=O)COCC[NH+](C)C ZINC001072624003 741445401 /nfs/dbraw/zinc/44/54/01/741445401.db2.gz HPSWWQAUNUCVEG-GJZGRUSLSA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)CC[NH+]([C@H]1CCC(=O)NC1=O)C2 ZINC001072981964 741534617 /nfs/dbraw/zinc/53/46/17/741534617.db2.gz WXUJMBKEYIKBJZ-KGLIPLIRSA-N 2 0 348.447 -0.190 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC3(C2)CC[NH+]([C@H]2CCC(=O)NC2=O)C3)C1 ZINC001072983004 741534646 /nfs/dbraw/zinc/53/46/46/741534646.db2.gz IEKADWSKBVCEDG-KGLIPLIRSA-N 2 0 348.447 -0.332 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC3(C2)CC[N@H+](CCCO)C3)cn1 ZINC001073050427 741549135 /nfs/dbraw/zinc/54/91/35/741549135.db2.gz ZDFWBDUOPYJXBQ-UHFFFAOYSA-N 2 0 335.452 -0.025 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001073433883 741612963 /nfs/dbraw/zinc/61/29/63/741612963.db2.gz RZUZZDJSSVLZLG-OAHLLOKOSA-N 2 0 325.453 -0.129 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1NC(=O)COCC[NH+](C)C ZINC001074080599 741826795 /nfs/dbraw/zinc/82/67/95/741826795.db2.gz UTJIQKBUPDXLJP-CABCVRRESA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@H]1CN(C(=O)COCC[NH+](C)C)CC[C@@H]1NC(=O)CC[NH+](C)C ZINC001074192708 741856646 /nfs/dbraw/zinc/85/66/46/741856646.db2.gz FWTMVAUQMJZOIZ-GJZGRUSLSA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)CC[C@@H]1NC(=O)CC[NH+](C)C ZINC001074192707 741856699 /nfs/dbraw/zinc/85/66/99/741856699.db2.gz FWTMVAUQMJZOIZ-CABCVRRESA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001074655208 742047976 /nfs/dbraw/zinc/04/79/76/742047976.db2.gz XGWMZSSNEQETOG-BPUTZDHNSA-N 2 0 349.479 -0.068 20 0 EBADRP CC[C@@H](C(=O)NCC1(O)CCN(C(=O)CC[NH+](C)C)CC1)[NH+](C)C ZINC001074713238 742083709 /nfs/dbraw/zinc/08/37/09/742083709.db2.gz OMLVLVSNFDXXDD-AWEZNQCLSA-N 2 0 342.484 -0.252 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CCN3CCNC3=O)[C@@H]2C)C1 ZINC001074878309 742126779 /nfs/dbraw/zinc/12/67/79/742126779.db2.gz MSZYHAMBSOYKNA-ILXRZTDVSA-N 2 0 337.468 -0.068 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H]1C)[NH+](C)C ZINC001074885472 742127105 /nfs/dbraw/zinc/12/71/05/742127105.db2.gz FXMSSWSXDZNOKD-AVGNSLFASA-N 2 0 339.440 -0.543 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)[C@@H]1C)[NH+](C)C ZINC001074885592 742127311 /nfs/dbraw/zinc/12/73/11/742127311.db2.gz NHSURQKETZGKCQ-KKUMJFAQSA-N 2 0 340.468 -0.236 20 0 EBADRP C[C@H](F)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014171 742695604 /nfs/dbraw/zinc/69/56/04/742695604.db2.gz GVOCGWPWGZAWGQ-NWANDNLSSA-N 2 0 341.431 -0.032 20 0 EBADRP C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001077495900 743020095 /nfs/dbraw/zinc/02/00/95/743020095.db2.gz VWNLPSULINQAOT-BBRMVZONSA-N 2 0 342.484 -0.084 20 0 EBADRP C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001077495594 743020534 /nfs/dbraw/zinc/02/05/34/743020534.db2.gz LJFOTAIQDXINNQ-KBPBESRZSA-N 2 0 328.457 -0.473 20 0 EBADRP Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077778709 743244044 /nfs/dbraw/zinc/24/40/44/743244044.db2.gz XTKSTIMIGGHBHG-IAGOWNOFSA-N 2 0 349.479 -0.144 20 0 EBADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001077778981 743244531 /nfs/dbraw/zinc/24/45/31/743244531.db2.gz BBXGDWTYVMSWQZ-BZUAXINKSA-N 2 0 325.453 -0.084 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001078460217 743660897 /nfs/dbraw/zinc/66/08/97/743660897.db2.gz NTVZAQSPMUTCQA-LSDHHAIUSA-N 2 0 338.452 -0.576 20 0 EBADRP CC[C@@H](C(=O)N1CCCO[C@H](C[NH2+]Cc2cnnn2C)C1)[NH+](C)C ZINC001078468893 743663383 /nfs/dbraw/zinc/66/33/83/743663383.db2.gz QUIVHAALQNGLEK-CABCVRRESA-N 2 0 338.456 -0.138 20 0 EBADRP Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001078507540 743684408 /nfs/dbraw/zinc/68/44/08/743684408.db2.gz DNGVAFOBRZEEKP-HIFRSBDPSA-N 2 0 336.440 -0.526 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCCO[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001078508856 743685280 /nfs/dbraw/zinc/68/52/80/743685280.db2.gz ZNEKHEXAXKIQCW-CABCVRRESA-N 2 0 338.452 -0.432 20 0 EBADRP C[N@H+](CCN1C(=O)CNC1=O)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980407049 805881154 /nfs/dbraw/zinc/88/11/54/805881154.db2.gz VCWDEZQNOGZBHO-ZDUSSCGKSA-N 2 0 337.424 -0.833 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CCC[NH+]([C@@H]2CCC(=O)NC2=O)C3)C1 ZINC000982148679 806412627 /nfs/dbraw/zinc/41/26/27/806412627.db2.gz RIINYSIZKYGXGA-UONOGXRCSA-N 2 0 348.447 -0.332 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000976864020 803916711 /nfs/dbraw/zinc/91/67/11/803916711.db2.gz JQIKISAHHIVUKF-BARDWOONSA-N 2 0 332.448 -0.251 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]32)C1 ZINC000976867741 803920386 /nfs/dbraw/zinc/92/03/86/803920386.db2.gz MBHACWBJHWBYQR-OIPACUDHSA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(C[NH+]1CCCC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000976869592 803923154 /nfs/dbraw/zinc/92/31/54/803923154.db2.gz LJMUSRFYGBNMMR-FOLVSLTJSA-N 2 0 332.448 -0.249 20 0 EBADRP CN(C)C(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000978151542 804695657 /nfs/dbraw/zinc/69/56/57/804695657.db2.gz XZARRRMQUOGSRB-YHUYYLMFSA-N 2 0 334.464 -0.290 20 0 EBADRP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC000978978065 805069303 /nfs/dbraw/zinc/06/93/03/805069303.db2.gz UGYFMCLFZGNUKM-AUZPSNTRSA-N 2 0 331.420 -0.071 20 0 EBADRP Cn1nncc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000983715715 807086831 /nfs/dbraw/zinc/08/68/31/807086831.db2.gz IUYASPGXRQMPCJ-RZLSGREXSA-N 2 0 348.451 -0.337 20 0 EBADRP C[N@H+](C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1)[C@H]1CCC(=O)NC1=O ZINC000985788961 807583030 /nfs/dbraw/zinc/58/30/30/807583030.db2.gz ALMXKUNOPVLSOB-OCCSQVGLSA-N 2 0 336.436 -0.334 20 0 EBADRP C[C@@H]1[C@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987359054 807899737 /nfs/dbraw/zinc/89/97/37/807899737.db2.gz LXXLQIHAHSXJBN-ZIAGYGMSSA-N 2 0 335.452 -0.314 20 0 EBADRP C[C@@H]1[C@@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)C[NH+]1CCCC1 ZINC000987525591 807953915 /nfs/dbraw/zinc/95/39/15/807953915.db2.gz PFHNJGRLLILQJC-CABCVRRESA-N 2 0 338.452 -0.480 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)Cn2ccnc2)C[C@@H]1O ZINC000991491345 809558651 /nfs/dbraw/zinc/55/86/51/809558651.db2.gz YFOQPUODXQCBID-KBPBESRZSA-N 2 0 335.408 -0.943 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001214597870 810264735 /nfs/dbraw/zinc/26/47/35/810264735.db2.gz QBEKCLSQKINCJN-JHJVBQTASA-N 2 0 339.440 -0.509 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001214655232 810270265 /nfs/dbraw/zinc/27/02/65/810270265.db2.gz DWQSHCBBFOWBIY-TZMCWYRMSA-N 2 0 336.440 -0.759 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214969006 810294551 /nfs/dbraw/zinc/29/45/51/810294551.db2.gz HXMVCEXDUBGVIB-MGPQQGTHSA-N 2 0 346.497 -0.544 20 0 EBADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215150553 810311161 /nfs/dbraw/zinc/31/11/61/810311161.db2.gz JYSXYPSCDALGFH-ZWNOBZJWSA-N 2 0 344.375 -0.421 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215397030 810326340 /nfs/dbraw/zinc/32/63/40/810326340.db2.gz PGQGKXYJHNBARA-MROQNXINSA-N 2 0 339.440 -0.652 20 0 EBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001215423701 810327273 /nfs/dbraw/zinc/32/72/73/810327273.db2.gz RRZYUCLUBCHKNF-GRYCIOLGSA-N 2 0 327.429 -0.652 20 0 EBADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1OC[C@H]1C[NH2+]CCO1 ZINC001218179483 810480504 /nfs/dbraw/zinc/48/05/04/810480504.db2.gz SRZJMWXXHVZUJV-SECBINFHSA-N 2 0 340.380 -0.872 20 0 EBADRP [NH3+][C@H](C(=O)Nc1ccc(C(=O)N2CCOCC2)cn1)C1CC[NH2+]CC1 ZINC001218511710 810497084 /nfs/dbraw/zinc/49/70/84/810497084.db2.gz XLGHIBINYHIXDA-HNNXBMFYSA-N 2 0 347.419 -0.181 20 0 EBADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@]34CC[C@@H](N3)[C@H]([NH3+])C4)nc2)CC1 ZINC001218516255 810497160 /nfs/dbraw/zinc/49/71/60/810497160.db2.gz WUANQUSJBKWFFE-CPUCHLNUSA-N 3 0 330.436 -0.006 20 0 EBADRP CN1CCN(c2ncccc2NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001218555502 810502204 /nfs/dbraw/zinc/50/22/04/810502204.db2.gz HRSOIQBBZHUMCK-RDTXWAMCSA-N 2 0 344.463 -0.029 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1nccnc1N1CCOCC1 ZINC001218570556 810504408 /nfs/dbraw/zinc/50/44/08/810504408.db2.gz LTHYLYMBOGWCST-ZDUSSCGKSA-N 2 0 349.439 -0.998 20 0 EBADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N(c1ncccc1N)C1CC[NH2+]CC1 ZINC001218696752 810520779 /nfs/dbraw/zinc/52/07/79/810520779.db2.gz YDYXRWUNYVGLRC-QWRGUYRKSA-N 2 0 334.424 -0.399 20 0 EBADRP COC[C@@H](C)Oc1cc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)[nH]n1 ZINC001218720926 810523860 /nfs/dbraw/zinc/52/38/60/810523860.db2.gz PDFNGDYUPMTYFB-ZYHUDNBSSA-N 2 0 340.428 -0.488 20 0 EBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218730470 810525138 /nfs/dbraw/zinc/52/51/38/810525138.db2.gz BMYWWOCKGZOASI-OLZOCXBDSA-N 2 0 333.392 -0.371 20 0 EBADRP CCc1c(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c(C(N)=O)nn1C ZINC001218788811 810531185 /nfs/dbraw/zinc/53/11/85/810531185.db2.gz UHNIKJSGQKLCTQ-SNVBAGLBSA-N 2 0 334.424 -0.106 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001218872959 810538263 /nfs/dbraw/zinc/53/82/63/810538263.db2.gz DUJDKBUDYXFXPI-INIZCTEOSA-N 3 0 335.452 -0.194 20 0 EBADRP O=C(Nc1ccc(N2CC[NH+](CCO)CC2)cc1)[C@H]1C[NH2+]C[C@@H]1O ZINC001218872942 810538613 /nfs/dbraw/zinc/53/86/13/810538613.db2.gz DFAQALJKCBSKCF-HOTGVXAUSA-N 2 0 334.420 -0.680 20 0 EBADRP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218881597 810540708 /nfs/dbraw/zinc/54/07/08/810540708.db2.gz XNNVSKXRAJFWOX-AWEZNQCLSA-N 2 0 342.403 -0.036 20 0 EBADRP Nc1ccc(COCCO)c(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c1 ZINC001218917315 810544075 /nfs/dbraw/zinc/54/40/75/810544075.db2.gz LAZKCMFERSETEK-CXAGYDPISA-N 2 0 334.420 -0.085 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccccc1-n1cncn1 ZINC001219007108 810554386 /nfs/dbraw/zinc/55/43/86/810554386.db2.gz HJHPDVZGIJPAHR-CYBMUJFWSA-N 2 0 329.408 -0.044 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC001219029913 810557268 /nfs/dbraw/zinc/55/72/68/810557268.db2.gz SWROJCMMGHPSDL-HNNXBMFYSA-N 3 0 333.436 -0.143 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+]([C@H]3CCN(C)C3=O)C[C@@H]21 ZINC001219054673 810565176 /nfs/dbraw/zinc/56/51/76/810565176.db2.gz JEUHLDOCCARJAP-SOUVJXGZSA-N 2 0 338.452 -0.531 20 0 EBADRP NC(=O)NCCC[C@H]([NH3+])C(=O)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001219116868 810587817 /nfs/dbraw/zinc/58/78/17/810587817.db2.gz TUYLMPOCCSPNSA-AWEZNQCLSA-N 2 0 334.424 -0.190 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C2)cn1 ZINC001015827466 810595229 /nfs/dbraw/zinc/59/52/29/810595229.db2.gz RJNXVNVEKYGCSW-OAHLLOKOSA-N 2 0 346.439 -0.460 20 0 EBADRP COC(=O)c1ccc(N)c(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001219150170 810596459 /nfs/dbraw/zinc/59/64/59/810596459.db2.gz UUBDCDHTQCHAEY-CYBMUJFWSA-N 2 0 335.408 -0.256 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC001016252094 810713341 /nfs/dbraw/zinc/71/33/41/810713341.db2.gz QYUHCOODMJYUGM-GJZGRUSLSA-N 2 0 338.452 -0.744 20 0 EBADRP COc1cc2c(cc1NC(=O)C[C@H](O)C[NH3+])NC(=O)[C@@]21CC[NH2+]C1 ZINC001219497425 810721407 /nfs/dbraw/zinc/72/14/07/810721407.db2.gz CHSSRPRPXPMFMA-XXFAHNHDSA-N 2 0 334.376 -0.473 20 0 EBADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219610053 810769839 /nfs/dbraw/zinc/76/98/39/810769839.db2.gz KCKZOABKYLCKKN-TVQRCGJNSA-N 2 0 334.342 -0.487 20 0 EBADRP COC(=O)c1csc(CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)n1 ZINC001219669021 810790246 /nfs/dbraw/zinc/79/02/46/810790246.db2.gz IWVZNZMBLKYROV-JTQLQIEISA-N 2 0 341.437 -0.704 20 0 EBADRP C[C@@H]1C[C@@H](CNC(=O)[C@@H]([NH3+])CCCNC(=O)c2cnccn2)C[NH2+]1 ZINC001219683601 810797594 /nfs/dbraw/zinc/79/75/94/810797594.db2.gz BIBSCMADDHVFLA-UPJWGTAASA-N 2 0 334.424 -0.572 20 0 EBADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219695513 810799599 /nfs/dbraw/zinc/79/95/99/810799599.db2.gz VKVWFMXVFBMWNZ-INIZCTEOSA-N 2 0 343.431 -0.358 20 0 EBADRP O=C(NCCC1(O)C[NH2+]C1)[C@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001219696720 810800107 /nfs/dbraw/zinc/80/01/07/810800107.db2.gz MBLFXRRFSNTJKP-MRXNPFEDSA-N 2 0 344.459 -0.451 20 0 EBADRP [NH3+][C@@H](Cc1ccc(Br)s1)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219712413 810803606 /nfs/dbraw/zinc/80/36/06/810803606.db2.gz ONVDWRYUBJTYCW-DJLDLDEBSA-N 2 0 334.239 -0.171 20 0 EBADRP [NH3+][C@@H]1CCN([C@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2O)c2cc3ccccc3o2)C1 ZINC001219714448 810804738 /nfs/dbraw/zinc/80/47/38/810804738.db2.gz LBULQGBHJRFRRP-WBOJAVRRSA-N 2 0 344.415 -0.044 20 0 EBADRP [NH3+]C1CCN(C(=O)c2ccc(C(=O)N[C@@H]3C[NH2+]C[C@H]3O)cc2)CC1 ZINC001219714557 810804988 /nfs/dbraw/zinc/80/49/88/810804988.db2.gz OVELSDNXPREPBF-HUUCEWRRSA-N 2 0 332.404 -0.688 20 0 EBADRP [NH3+][C@H]1COC[C@H]1NC(=O)[C@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001219720826 810808015 /nfs/dbraw/zinc/80/80/15/810808015.db2.gz RYLJSQGVVQNNQH-OWCLPIDISA-N 2 0 330.432 -0.450 20 0 EBADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)c1cccnc1N1CC[NH2+]CC1 ZINC001219739034 810817273 /nfs/dbraw/zinc/81/72/73/810817273.db2.gz FVEJWXYVZDRPLG-ZDUSSCGKSA-N 2 0 331.420 -0.401 20 0 EBADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219737421 810817866 /nfs/dbraw/zinc/81/78/66/810817866.db2.gz VRBFKXNIENJSCP-NEPJUHHUSA-N 2 0 327.425 -0.199 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219768222 810832945 /nfs/dbraw/zinc/83/29/45/810832945.db2.gz LHPIBBXUAAKMEM-WMLDXEAASA-N 2 0 336.411 -0.120 20 0 EBADRP NC(=O)CC[C@H]([NH3+])CC(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219796389 810846143 /nfs/dbraw/zinc/84/61/43/810846143.db2.gz YIQIFWQTOPKNHC-LBPRGKRZSA-N 3 0 325.457 -0.698 20 0 EBADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219809870 810856234 /nfs/dbraw/zinc/85/62/34/810856234.db2.gz UIDWAJHFQGEKRR-NSHDSACASA-N 2 0 333.392 -0.948 20 0 EBADRP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219812702 810858200 /nfs/dbraw/zinc/85/82/00/810858200.db2.gz GZYJVDDHFRWLBO-OZVIIMIRSA-N 2 0 327.425 -0.212 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@@H]1O ZINC001219830208 810864870 /nfs/dbraw/zinc/86/48/70/810864870.db2.gz RIVXWCZLLJWBQQ-OAGGEKHMSA-N 2 0 335.452 -0.081 20 0 EBADRP O=C(C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833846 810868591 /nfs/dbraw/zinc/86/85/91/810868591.db2.gz KWQAHBNXVCCHFC-JRBZFYFNSA-N 2 0 339.436 -0.735 20 0 EBADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001219833757 810868941 /nfs/dbraw/zinc/86/89/41/810868941.db2.gz IRFJPRXLCWFSHH-RUCLQGLUSA-N 2 0 339.436 -0.735 20 0 EBADRP [NH3+]C1(C(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)Cc2ccccc2C1 ZINC001219838634 810870999 /nfs/dbraw/zinc/87/09/99/810870999.db2.gz SKVAYJHSVHEZAL-KSSFIOAISA-N 2 0 345.443 -0.006 20 0 EBADRP CO[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)C1 ZINC001219838576 810871051 /nfs/dbraw/zinc/87/10/51/810871051.db2.gz RYSZKTSWSCQAIV-FQLMCAECSA-N 2 0 327.425 -0.735 20 0 EBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838420 810871100 /nfs/dbraw/zinc/87/11/00/810871100.db2.gz QADMALGSVZAKOQ-HLLBOEOZSA-N 3 0 342.484 -0.443 20 0 EBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1C[NH2+]C[C@H]2CCO[C@H]21 ZINC001219836672 810871210 /nfs/dbraw/zinc/87/12/10/810871210.db2.gz BUIVQQKBFKHBQC-IETPZCKNSA-N 2 0 339.436 -0.878 20 0 EBADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1cncc2c1CC[NH2+]C2 ZINC001219843813 810874530 /nfs/dbraw/zinc/87/45/30/810874530.db2.gz DBZARZURXZEDGL-UGSOOPFHSA-N 2 0 346.431 -0.148 20 0 EBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1ncn2c1C[NH2+]CC2 ZINC001219844697 810875669 /nfs/dbraw/zinc/87/56/69/810875669.db2.gz PXPDREYIUZHHBU-WBMJQRKESA-N 2 0 335.408 -0.889 20 0 EBADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)c1cccnc1N1CC[NH2+]CC1 ZINC001219850609 810878533 /nfs/dbraw/zinc/87/85/33/810878533.db2.gz ZCDMZIOVSYKBOX-SOUVJXGZSA-N 2 0 331.420 -0.260 20 0 EBADRP CCCC[C@@H](C(N)=O)N1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001219904651 810902419 /nfs/dbraw/zinc/90/24/19/810902419.db2.gz KBCUFGFGEIAZNL-RDBSUJKOSA-N 2 0 342.484 -0.078 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CC(=O)N(C)C(C)C)C[C@@H]1O ZINC001219902542 810902950 /nfs/dbraw/zinc/90/29/50/810902950.db2.gz FHJOPTQBWXXGGD-KGLIPLIRSA-N 2 0 342.484 -0.255 20 0 EBADRP O=C(NCc1cccnc1C1CC[NH2+]CC1)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001219929920 810912228 /nfs/dbraw/zinc/91/22/28/810912228.db2.gz UMTOPLTXLUZZTN-INIZCTEOSA-N 2 0 343.431 -0.357 20 0 EBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219929344 810912548 /nfs/dbraw/zinc/91/25/48/810912548.db2.gz KEOGGKDCLRANBR-CQSZACIVSA-N 2 0 348.451 -0.059 20 0 EBADRP O=C(NCCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1ccncc1 ZINC001219936551 810915853 /nfs/dbraw/zinc/91/58/53/810915853.db2.gz JCYNNUZYTKNUJO-CQSZACIVSA-N 2 0 331.420 -0.198 20 0 EBADRP CS(=O)(=O)N(C(=O)[C@@]12C[NH2+]C[C@H]1CCN2)c1ccc(C[NH3+])cc1 ZINC001219938898 810917359 /nfs/dbraw/zinc/91/73/59/810917359.db2.gz IQMQCOMNWQBHSX-IUODEOHRSA-N 2 0 338.433 -0.611 20 0 EBADRP COC(=O)C1(NC(=O)[C@@H]2COC3(C2)CC[NH2+]CC3)CC[NH2+]CC1 ZINC001219999211 810940398 /nfs/dbraw/zinc/94/03/98/810940398.db2.gz NIQSHGSVQJDRQR-LBPRGKRZSA-N 2 0 325.409 -0.444 20 0 EBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001219999138 810940775 /nfs/dbraw/zinc/94/07/75/810940775.db2.gz LDOVABNYLWROKV-BPUTZDHNSA-N 2 0 348.447 -0.236 20 0 EBADRP COC(=O)C1(NC(=O)[C@@H]([NH3+])CCCCNC(C)=O)CC[NH2+]CC1 ZINC001220001089 810942012 /nfs/dbraw/zinc/94/20/12/810942012.db2.gz HKWIRVGIOHLBGB-LBPRGKRZSA-N 2 0 328.413 -0.969 20 0 EBADRP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001220008922 810945783 /nfs/dbraw/zinc/94/57/83/810945783.db2.gz OGMVPTNPJWALTL-ZNMIVQPWSA-N 2 0 334.376 -0.884 20 0 EBADRP [NH3+]CC1(N(Cc2ccccc2)C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)COC1 ZINC001220020219 810950432 /nfs/dbraw/zinc/95/04/32/810950432.db2.gz AWQUJRUIPRPDDY-HNNXBMFYSA-N 3 0 330.432 -0.448 20 0 EBADRP COCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034214 810955865 /nfs/dbraw/zinc/95/58/65/810955865.db2.gz OWWNWZQZTGVECH-CLPSQLOGSA-N 2 0 339.436 -0.953 20 0 EBADRP N=c1cc(C[NH3+])ccn1C(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC001220045151 810958524 /nfs/dbraw/zinc/95/85/24/810958524.db2.gz NTAJOKNNRSHQOB-AWEZNQCLSA-N 2 0 327.388 -0.247 20 0 EBADRP CCOC(=O)C(=CNC(=O)C[C@@H]([NH3+])CCCC[NH3+])C(=O)OCC ZINC001220043631 810959128 /nfs/dbraw/zinc/95/91/28/810959128.db2.gz ZRDFPRARPKCQQW-NSHDSACASA-N 2 0 329.397 -0.041 20 0 EBADRP COC(=O)[C@H](COC(C)(C)C)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220088630 810978892 /nfs/dbraw/zinc/97/88/92/810978892.db2.gz JTHIBLOGZLKVFS-BFQNTYOBSA-N 2 0 327.425 -0.342 20 0 EBADRP Cn1cc(CC[N@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)cn1 ZINC001220227545 811023879 /nfs/dbraw/zinc/02/38/79/811023879.db2.gz UMXLIHRNZWJOND-CABCVRRESA-N 2 0 335.452 -0.534 20 0 EBADRP COC(=O)[C@]1(NC(=O)[C@@H]([NH3+])CCC[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC001220226571 811024867 /nfs/dbraw/zinc/02/48/67/811024867.db2.gz VIZYMGNAUDJXNA-YJBOKZPZSA-N 3 0 348.447 -0.014 20 0 EBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NCCN1CCC[N@@H+](C)CC1 ZINC001220307320 811051289 /nfs/dbraw/zinc/05/12/89/811051289.db2.gz XCIAUAOBECBJCY-HNNXBMFYSA-N 2 0 327.473 -0.626 20 0 EBADRP O=C(NCc1ncn2c1C[NH2+]CCC2)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220311896 811051700 /nfs/dbraw/zinc/05/17/00/811051700.db2.gz SPWBYCSRNIOTCA-CYBMUJFWSA-N 3 0 332.452 -0.133 20 0 EBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220319688 811055804 /nfs/dbraw/zinc/05/58/04/811055804.db2.gz IJCFADVKIYGQCG-YCPHGPKFSA-N 2 0 326.441 -0.353 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220321750 811056993 /nfs/dbraw/zinc/05/69/93/811056993.db2.gz YEVIJJJVGLLMFA-VPWBDBDCSA-N 2 0 325.409 -0.588 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H](CO)Cc1ccccc1 ZINC001220406692 811098307 /nfs/dbraw/zinc/09/83/07/811098307.db2.gz VSKJJPKQSWPAOS-WBVHZDCISA-N 2 0 334.464 -0.296 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001220429167 811104441 /nfs/dbraw/zinc/10/44/41/811104441.db2.gz MHDGTMNJNPYNBW-NDGTYSDOSA-N 2 0 330.388 -0.800 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1 ZINC001220432157 811105949 /nfs/dbraw/zinc/10/59/49/811105949.db2.gz ZFAYPUHZEMMXTJ-BXUZGUMPSA-N 2 0 346.391 -0.892 20 0 EBADRP NC(=[NH2+])N(C(=O)[C@H]1[NH2+]CC[C@H]1O)c1ccc(N2CCOCC2)cc1 ZINC001220460581 811116608 /nfs/dbraw/zinc/11/66/08/811116608.db2.gz RUNLKALXBKOIST-KGLIPLIRSA-N 2 0 333.392 -0.528 20 0 EBADRP NC(=[NH2+])N(C(=O)[C@@H]1C[NH2+]C[C@H]1O)c1ccc(N2CCOCC2)cc1 ZINC001220460206 811117409 /nfs/dbraw/zinc/11/74/09/811117409.db2.gz DUZDWAKIMASLON-ZIAGYGMSSA-N 2 0 333.392 -0.670 20 0 EBADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC[C@H]1[NH2+]CC(N)=O ZINC001036242923 811127386 /nfs/dbraw/zinc/12/73/86/811127386.db2.gz YGZXBDPOVBKERE-TZMCWYRMSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036267544 811131619 /nfs/dbraw/zinc/13/16/19/811131619.db2.gz QDDQLQDLSDDTHV-OLZOCXBDSA-N 2 0 348.451 -0.469 20 0 EBADRP COC(=O)c1ncc(=O)[nH]c1NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220514287 811133155 /nfs/dbraw/zinc/13/31/55/811133155.db2.gz DREXEWBKBBQTHF-VIFPVBQESA-N 2 0 335.364 -0.219 20 0 EBADRP CN(CC[NH3+])CCNC(=O)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1 ZINC001220517641 811134566 /nfs/dbraw/zinc/13/45/66/811134566.db2.gz UMYDAWTUHNEOKE-CQSZACIVSA-N 2 0 347.423 -0.990 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036292388 811135411 /nfs/dbraw/zinc/13/54/11/811135411.db2.gz CTWLDOUEFSOSSB-OLZOCXBDSA-N 2 0 336.440 -0.469 20 0 EBADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)NCCOCCOCC[NH3+] ZINC001220519376 811135502 /nfs/dbraw/zinc/13/55/02/811135502.db2.gz MAULNPFFCPYCSB-LBPRGKRZSA-N 2 0 333.429 -0.586 20 0 EBADRP [NH3+]CCOCCOCCNC(=O)c1cccnc1N1CC[NH2+]CC1 ZINC001220519255 811135807 /nfs/dbraw/zinc/13/58/07/811135807.db2.gz IBGMZAZTGSHIIY-UHFFFAOYSA-N 2 0 337.424 -0.787 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220582768 811164522 /nfs/dbraw/zinc/16/45/22/811164522.db2.gz CWWFIBCGDAYDFA-KFWWJZLASA-N 2 0 340.468 -0.594 20 0 EBADRP CC[C@@H](C[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1)OC ZINC001220642509 811186084 /nfs/dbraw/zinc/18/60/84/811186084.db2.gz FKLVSPDIMQTYLU-IMJJTQAJSA-N 2 0 343.468 -0.317 20 0 EBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220801508 811246192 /nfs/dbraw/zinc/24/61/92/811246192.db2.gz ZYEYUFMLEBWOKD-IWSPIJDZSA-N 2 0 325.335 -0.581 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220889362 811284129 /nfs/dbraw/zinc/28/41/29/811284129.db2.gz JSRPHGJCKOANDJ-IHRRRGAJSA-N 2 0 340.468 -0.012 20 0 EBADRP [NH3+]CCCNCC(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220900328 811286879 /nfs/dbraw/zinc/28/68/79/811286879.db2.gz HFOHPTAMLMXAJZ-UHFFFAOYSA-N 2 0 339.484 -0.482 20 0 EBADRP N[C@]1(C(=O)NCC(=O)N2CC[NH+](C3CCCCC3)CC2)CC[NH2+]C1 ZINC001220900520 811287257 /nfs/dbraw/zinc/28/72/57/811287257.db2.gz LYXQDXTYBVPTNW-QGZVFWFLSA-N 2 0 337.468 -0.730 20 0 EBADRP [NH3+]CCN(CCNC(=O)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2)N(O)N=O ZINC001220901437 811289077 /nfs/dbraw/zinc/28/90/77/811289077.db2.gz ZKOGURAFCQGPBP-OCCSQVGLSA-N 2 0 344.416 -0.800 20 0 EBADRP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994604 811334393 /nfs/dbraw/zinc/33/43/93/811334393.db2.gz YVCXFLXMXRLBMV-XHSDSOJGSA-N 2 0 343.468 -0.579 20 0 EBADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@]2(N)CCC[NH2+]C2)CC1 ZINC001221006263 811341716 /nfs/dbraw/zinc/34/17/16/811341716.db2.gz DLACBZJBTZINJU-XEZPLFJOSA-N 2 0 325.457 -0.828 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1cn(Cc2ccncc2)cn1 ZINC001221026330 811350809 /nfs/dbraw/zinc/35/08/09/811350809.db2.gz UISBGTINXOXLCP-AWEZNQCLSA-N 2 0 334.449 -0.038 20 0 EBADRP COc1cccc(CNC(=O)CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c1 ZINC001221060847 811358476 /nfs/dbraw/zinc/35/84/76/811358476.db2.gz QTWLIHIXCGLBGC-INIZCTEOSA-N 2 0 334.420 -0.246 20 0 EBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001221063235 811360425 /nfs/dbraw/zinc/36/04/25/811360425.db2.gz PLVCBLAHRNVLNV-BPUTZDHNSA-N 2 0 348.447 -0.409 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001037072357 811360455 /nfs/dbraw/zinc/36/04/55/811360455.db2.gz VKVANGFQTYSCMF-UONOGXRCSA-N 2 0 335.456 -0.074 20 0 EBADRP Cn1cc(CC[N@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)[C@@H](O)C2)cn1 ZINC001221073345 811362512 /nfs/dbraw/zinc/36/25/12/811362512.db2.gz RJMUBSDCQAPFTH-SJORKVTESA-N 2 0 349.479 0.000 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)C23CC[NH+](CC2)C3)nc1=O ZINC001037116566 811369935 /nfs/dbraw/zinc/36/99/35/811369935.db2.gz DGAKWZUDXLMJJI-CHWSQXEVSA-N 2 0 348.451 -0.421 20 0 EBADRP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001221114077 811382978 /nfs/dbraw/zinc/38/29/78/811382978.db2.gz MDJAVGLJJIZZQJ-SOUVJXGZSA-N 2 0 329.448 -0.231 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221123971 811385345 /nfs/dbraw/zinc/38/53/45/811385345.db2.gz QXCBVZAUMOIBBP-INIZCTEOSA-N 3 0 346.479 -0.473 20 0 EBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC([NH3+])(CCOC)CC1 ZINC001221135757 811387640 /nfs/dbraw/zinc/38/76/40/811387640.db2.gz BRRNGNPNHCELJQ-JSGCOSHPSA-N 2 0 328.457 -0.168 20 0 EBADRP COCCOc1nccc(CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)n1 ZINC001221158219 811395860 /nfs/dbraw/zinc/39/58/60/811395860.db2.gz VELAIFRPPVUKKN-AWEZNQCLSA-N 2 0 349.435 -0.008 20 0 EBADRP CC(C)CC1(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCS(=O)(=O)CC1 ZINC001221215519 811419511 /nfs/dbraw/zinc/41/95/11/811419511.db2.gz RJEGZGVULDNPGT-CYBMUJFWSA-N 2 0 343.493 -0.095 20 0 EBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](CCCC[NH3+])NC(C)=O ZINC001221390111 811448734 /nfs/dbraw/zinc/44/87/34/811448734.db2.gz ABMSGNPUHAHVCB-ZDUSSCGKSA-N 3 0 328.461 -0.316 20 0 EBADRP NC1=CC=C(C2CCN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)CC2)[NH2+]C1 ZINC001221391342 811449231 /nfs/dbraw/zinc/44/92/31/811449231.db2.gz DQLKDNFSIKKSSR-INIZCTEOSA-N 3 0 348.495 -0.695 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCCC(=O)c1cccnc1 ZINC001221394843 811449433 /nfs/dbraw/zinc/44/94/33/811449433.db2.gz VHERYDUWBHKQFD-OAHLLOKOSA-N 2 0 333.436 -0.089 20 0 EBADRP COc1cccc([C@H](C[NH3+])NC(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)c1 ZINC001221406155 811450684 /nfs/dbraw/zinc/45/06/84/811450684.db2.gz ONGUFNLZBXCCDP-CABCVRRESA-N 2 0 346.431 -0.073 20 0 EBADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787446 811534340 /nfs/dbraw/zinc/53/43/40/811534340.db2.gz RNZFLGUYJSQYKN-BZUAXINKSA-N 2 0 325.453 -0.132 20 0 EBADRP CS(=O)(=O)N1CCC(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)CC1 ZINC001222085591 811593245 /nfs/dbraw/zinc/59/32/45/811593245.db2.gz DJYZRKVLFBMUEW-UHFFFAOYSA-N 2 0 330.498 -0.315 20 0 EBADRP CC[C@H](C(=O)NCC1CC[NH+](CCNS(C)(=O)=O)CC1)[NH+](C)C ZINC001223596413 811715640 /nfs/dbraw/zinc/71/56/40/811715640.db2.gz BAZOSEMBDQKDDO-CQSZACIVSA-N 2 0 348.513 -0.296 20 0 EBADRP COCCOC[C@@H](O)C[NH+]1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224346264 811758599 /nfs/dbraw/zinc/75/85/99/811758599.db2.gz DMSGGEJNIJAKLX-INIZCTEOSA-N 2 0 345.484 -0.210 20 0 EBADRP CC(C)NC(=O)C[NH+]1CCC(CNC(=O)COCC[NH+](C)C)CC1 ZINC001225155392 811796107 /nfs/dbraw/zinc/79/61/07/811796107.db2.gz VRULWSQUBBWOAC-UHFFFAOYSA-N 2 0 342.484 -0.083 20 0 EBADRP C[NH+](C)CCCCC(=O)NCC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001225206912 811798957 /nfs/dbraw/zinc/79/89/57/811798957.db2.gz KYSLXJVWOQZUQW-UHFFFAOYSA-N 2 0 341.456 -0.259 20 0 EBADRP O=C(C[NH+]1CCCC1)NCC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001225442084 811810842 /nfs/dbraw/zinc/81/08/42/811810842.db2.gz AGVFQZYURFHYMJ-AWEZNQCLSA-N 2 0 336.436 -0.284 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1)C1CC1 ZINC001227817870 811944309 /nfs/dbraw/zinc/94/43/09/811944309.db2.gz NSQOAHXQLYKYIB-DZGCQCFKSA-N 2 0 336.436 -0.288 20 0 EBADRP CC(C)[C@@H](C(=O)NC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1)[NH+](C)C ZINC001227899296 811948344 /nfs/dbraw/zinc/94/83/44/811948344.db2.gz DOKAMPINGFNERS-HIFRSBDPSA-N 2 0 338.452 -0.042 20 0 EBADRP CN(CC[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1)S(C)(=O)=O ZINC001228999211 812008451 /nfs/dbraw/zinc/00/84/51/812008451.db2.gz POCBCHNXRNDUIP-UHFFFAOYSA-N 2 0 334.486 -0.590 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC(N)=O)CC1 ZINC001230612475 812204062 /nfs/dbraw/zinc/20/40/62/812204062.db2.gz AZFAXGPETZECSM-HNNXBMFYSA-N 2 0 340.468 -0.247 20 0 EBADRP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)[C@@H](O)[C@@H]2O1 ZINC001235039475 812467059 /nfs/dbraw/zinc/46/70/59/812467059.db2.gz ZUOMOXKRFDMPOQ-JEWKUQAESA-N 2 0 328.409 -0.466 20 0 EBADRP C[NH+]1CCN(c2ccc(CN3CCN[C@]4(CC[NH2+]C4)C3)cn2)CC1 ZINC001235064210 812469423 /nfs/dbraw/zinc/46/94/23/812469423.db2.gz WCZXPOVMLFGNEA-SFHVURJKSA-N 2 0 330.480 -0.029 20 0 EBADRP c1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc(N2CC[NH2+]CC2)c1 ZINC001235870053 812514671 /nfs/dbraw/zinc/51/46/71/812514671.db2.gz KUHUVMLJIWEJQS-UHFFFAOYSA-N 3 0 346.523 -0.319 20 0 EBADRP COC(=O)c1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)ccc1O ZINC001235871998 812514727 /nfs/dbraw/zinc/51/47/27/812514727.db2.gz XISFKTDQMFLSMF-UHFFFAOYSA-N 2 0 336.436 -0.237 20 0 EBADRP COC(=O)Cc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc1 ZINC001235869816 812514835 /nfs/dbraw/zinc/51/48/35/812514835.db2.gz IUNCORSCYWRAQU-UHFFFAOYSA-N 2 0 334.464 -0.014 20 0 EBADRP Nc1ncnc(Cl)c1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236307241 812516245 /nfs/dbraw/zinc/51/62/45/812516245.db2.gz DWNXRVLILTXFQG-UHFFFAOYSA-N 2 0 329.836 -0.672 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1n[nH]cc1Br ZINC001236310368 812516828 /nfs/dbraw/zinc/51/68/28/812516828.db2.gz YUPSJPVKGWWCHW-UHFFFAOYSA-N 2 0 347.261 -0.212 20 0 EBADRP CC(=O)N1CCC(CN(CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001236308826 812516902 /nfs/dbraw/zinc/51/69/02/812516902.db2.gz HTRMLPGMKRKION-UHFFFAOYSA-N 2 0 327.473 -0.639 20 0 EBADRP CC(C)(CN(CCC[NH3+])CC(=O)NCCC[NH3+])N1CCOCC1 ZINC001236309396 812516996 /nfs/dbraw/zinc/51/69/96/812516996.db2.gz KMOATTHQMKDZOV-UHFFFAOYSA-N 2 0 329.489 -0.787 20 0 EBADRP Cn1nnc2cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])ccc21 ZINC001236312587 812517342 /nfs/dbraw/zinc/51/73/42/812517342.db2.gz UYDMVBSHDLGHLR-UHFFFAOYSA-N 2 0 333.440 -0.416 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(Cc1cnc3n1CC[NH2+]CC3)CC2 ZINC001237058372 812519839 /nfs/dbraw/zinc/51/98/39/812519839.db2.gz FJAACAFUBCBKSB-RHSMWYFYSA-N 2 0 333.436 -0.244 20 0 EBADRP Cc1ncc(S(=O)(=O)NC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)n1C ZINC001238243369 812525105 /nfs/dbraw/zinc/52/51/05/812525105.db2.gz UIMNSSRDKWMUJW-GFCCVEGCSA-N 2 0 327.454 -0.119 20 0 EBADRP CCOC(=O)C[C@]1(NS(=O)(=O)CC2CC[NH2+]CC2)CC[NH2+]C1 ZINC001238222054 812525575 /nfs/dbraw/zinc/52/55/75/812525575.db2.gz RCHQTBAXTTZXBP-CQSZACIVSA-N 2 0 333.454 -0.409 20 0 EBADRP CCOC(=O)C[C@@H](NS(=O)(=O)C1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001238510951 812529300 /nfs/dbraw/zinc/52/93/00/812529300.db2.gz DQJLCMLOMWXKCK-CQSZACIVSA-N 2 0 347.481 -0.021 20 0 EBADRP [NH3+]CCS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001238798310 812531772 /nfs/dbraw/zinc/53/17/72/812531772.db2.gz GVMXFZLPLDWGEZ-CABCVRRESA-N 2 0 327.450 -0.253 20 0 EBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001239070605 812539900 /nfs/dbraw/zinc/53/99/00/812539900.db2.gz MGXWWRJRBIBOKY-RBSFLKMASA-N 2 0 329.466 -0.231 20 0 EBADRP CCOC(=O)c1sc(S(=O)(=O)N(CC[NH3+])CC[NH3+])nc1C ZINC001239096204 812544399 /nfs/dbraw/zinc/54/43/99/812544399.db2.gz FKHKCZUUYWWUGC-UHFFFAOYSA-N 2 0 336.439 -0.464 20 0 EBADRP CCCCOC(=O)CNC(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239294911 812550703 /nfs/dbraw/zinc/55/07/03/812550703.db2.gz DJRLBXBEENEBDJ-UHFFFAOYSA-N 2 0 345.444 -0.845 20 0 EBADRP c1cc(N2CC[NH2+]CC2)nnc1-c1cnc(N2CC[NH2+]CC2)nc1 ZINC001241894511 812554000 /nfs/dbraw/zinc/55/40/00/812554000.db2.gz COKSRXAKWTVNRK-UHFFFAOYSA-N 2 0 326.408 -0.247 20 0 EBADRP [NH3+]CCNC(=S)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001239454635 812554262 /nfs/dbraw/zinc/55/42/62/812554262.db2.gz RJSJEAJKYXXSBG-UHFFFAOYSA-N 2 0 343.541 -0.157 20 0 EBADRP CCOC(=O)C[C@]1(NC[C@@H](O)CC2(O)CC[NH2+]CC2)CC[NH2+]C1 ZINC001245979395 812556898 /nfs/dbraw/zinc/55/68/98/812556898.db2.gz IWXCPBMADWISQE-DZGCQCFKSA-N 2 0 329.441 -0.873 20 0 EBADRP O[C@@H](C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)CO1)CC1(O)CC[NH2+]CC1 ZINC001245978300 812556981 /nfs/dbraw/zinc/55/69/81/812556981.db2.gz AWUJIJJCDAZJII-CVEARBPZSA-N 3 0 341.496 -0.010 20 0 EBADRP CCOC(=O)C1(C[NH2+]C[C@@H](O)CC2(O)CC[NH2+]CC2)CC[NH2+]CC1 ZINC001246005011 812558478 /nfs/dbraw/zinc/55/84/78/812558478.db2.gz QJBKCEKYKQJQCZ-AWEZNQCLSA-N 3 0 343.468 -0.626 20 0 EBADRP O[C@H](C[NH2+]C1CCN([C@H]2CC[NH2+]C2)CC1)CC1(O)CC[NH2+]CC1 ZINC001246003379 812558689 /nfs/dbraw/zinc/55/86/89/812558689.db2.gz IHLBPOUSDYXWGB-HOTGVXAUSA-N 3 0 326.485 -0.732 20 0 EBADRP O[C@@H](CN1CCOC[C@]2(CCC[NH2+]C2)C1)CC1(O)CC[NH2+]CC1 ZINC001246025542 812559534 /nfs/dbraw/zinc/55/95/34/812559534.db2.gz LAPVZTHXPHLRGH-CVEARBPZSA-N 2 0 327.469 -0.446 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C[C@@H](O)CC1(O)CC[NH2+]CC1)CC2 ZINC001246055737 812562381 /nfs/dbraw/zinc/56/23/81/812562381.db2.gz DYTJCVRNRBAYMS-ZQIUZPCESA-N 2 0 341.452 -0.921 20 0 EBADRP O=S(=O)(CC[NH2+]C1CCC2(CC[NH2+]C2)CC1)N1CCNCC1 ZINC001246101454 812564368 /nfs/dbraw/zinc/56/43/68/812564368.db2.gz POBNGUIEJWRFMZ-UHFFFAOYSA-N 2 0 330.498 -0.267 20 0 EBADRP CC[C@]1(C(=O)OC)C[C@H]([NH2+]CC2(C(=O)OC)CC[NH2+]CC2)CN1 ZINC001246095911 812564619 /nfs/dbraw/zinc/56/46/19/812564619.db2.gz GZBCNPJVJCZRJH-BLLLJJGKSA-N 2 0 327.425 -0.198 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CCN1 ZINC001246140551 812565951 /nfs/dbraw/zinc/56/59/51/812565951.db2.gz ACEVIMIWOYIPKR-IVSAIRAKSA-N 2 0 341.452 -0.345 20 0 EBADRP O=C([C@@H]1C[C@@H]([NH2+]C[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)CN1)N1CCSC1 ZINC001246146075 812565959 /nfs/dbraw/zinc/56/59/59/812565959.db2.gz BTUOUDXVDUMPDO-MQLXINIDSA-N 2 0 326.466 -0.926 20 0 EBADRP O=C([C@@H]1C[C@H]([NH2+]C[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)CN1)N1CCSC1 ZINC001246147786 812567408 /nfs/dbraw/zinc/56/74/08/812567408.db2.gz JVHPSFYZRFADIB-QKGCVVFFSA-N 2 0 340.493 -0.536 20 0 EBADRP O=C(N1CCOCC1)N1CCC([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246185841 812567494 /nfs/dbraw/zinc/56/74/94/812567494.db2.gz CJYQKZPXNSZIAH-HNNXBMFYSA-N 2 0 337.468 -0.413 20 0 EBADRP O=C([C@@H]1C[C@H](N[C@@H]2COC3(C2)CC[NH2+]CC3)C[NH2+]1)N1CCSC1 ZINC001246186772 812567541 /nfs/dbraw/zinc/56/75/41/812567541.db2.gz ZCSREZIQKISJJW-IHRRRGAJSA-N 2 0 340.493 -0.250 20 0 EBADRP [NH3+]CCOCCOCCOCCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246214581 812568440 /nfs/dbraw/zinc/56/84/40/812568440.db2.gz FNCHBZYPMYWMIM-SJPCQFCGSA-N 3 0 345.484 -0.116 20 0 EBADRP CC[C@]1(C(=O)OC)C[C@H]([NH2+]CCOCCOCCOCC[NH3+])CN1 ZINC001246289000 812569356 /nfs/dbraw/zinc/56/93/56/812569356.db2.gz MXMIPELBWNLEHO-GOEBONIOSA-N 2 0 347.456 -0.732 20 0 EBADRP CCOC(=O)[C@@H]1C[C@@H]([NH2+]CCOCCOCCOCC[NH3+])CCN1 ZINC001246283170 812569900 /nfs/dbraw/zinc/56/99/00/812569900.db2.gz FLVNGRAVLHEHCQ-GJZGRUSLSA-N 2 0 347.456 -0.732 20 0 EBADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)C[C@@H]1C(=O)OC ZINC001246403793 812571837 /nfs/dbraw/zinc/57/18/37/812571837.db2.gz HZXRMOGXPUNOJG-USZNOCQGSA-N 2 0 329.397 -0.700 20 0 EBADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)C[NH+](C)C)CC2)CN1 ZINC001246393362 812572159 /nfs/dbraw/zinc/57/21/59/812572159.db2.gz DXUROAMRVYFRNI-SYQHCUMBSA-N 2 0 326.441 -0.532 20 0 EBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)C[C@@H]1C(=O)OC ZINC001246403799 812572220 /nfs/dbraw/zinc/57/22/20/812572220.db2.gz HZXRMOGXPUNOJG-YFKTTZPYSA-N 2 0 329.397 -0.700 20 0 EBADRP COC(=O)[C@H]1C[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCCC2)CN1 ZINC001246522010 812575459 /nfs/dbraw/zinc/57/54/59/812575459.db2.gz YKKKOWIUJYKFLR-MELADBBJSA-N 2 0 326.441 -0.401 20 0 EBADRP [NH3+]C[C@]1(O)CCCCN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C1 ZINC001246563438 812575507 /nfs/dbraw/zinc/57/55/07/812575507.db2.gz UUHYSIAHARMDQV-VNHYZAJKSA-N 2 0 328.482 -0.575 20 0 EBADRP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CCC[C@](O)(C[NH3+])CC2)C[C@@H]1C(=O)OC ZINC001246555355 812575523 /nfs/dbraw/zinc/57/55/23/812575523.db2.gz XKBPLMSVSPBBSI-NFFDBFGFSA-N 2 0 328.409 -0.097 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]CCN1[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246599452 812576907 /nfs/dbraw/zinc/57/69/07/812576907.db2.gz CVXOBBDQNUXFGG-AGIUHOORSA-N 2 0 342.465 -0.913 20 0 EBADRP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+]([C@@H]1CCOC3(C[NH2+]C3)C1)C2 ZINC001246665565 812579026 /nfs/dbraw/zinc/57/90/26/812579026.db2.gz CHTMKDVBOCJNDJ-NSIVTLKISA-N 3 0 335.448 -0.162 20 0 EBADRP O=C([C@@H]1C[C@@H](N2CC[C@@H]3OCC[NH2+][C@H]3C2)C[NH2+]1)N1CCSC1 ZINC001246653901 812579300 /nfs/dbraw/zinc/57/93/00/812579300.db2.gz BQAGOUMWYVMGHR-RFGFWPKPSA-N 2 0 326.466 -0.688 20 0 EBADRP CC(=O)N1CCOC[C@@]2(C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)CCO2)C1 ZINC001246723502 812583103 /nfs/dbraw/zinc/58/31/03/812583103.db2.gz JKBMXOHPJBCQKL-WBVHZDCISA-N 2 0 338.452 -0.970 20 0 EBADRP O=C(NCC1CC1)c1nn([C@@H]2CCNC3(C[NH2+]C3)C2)c2c1C[NH2+]CC2 ZINC001246763460 812586546 /nfs/dbraw/zinc/58/65/46/812586546.db2.gz ZPVPHDQIPXDRLW-CYBMUJFWSA-N 2 0 344.463 -0.065 20 0 EBADRP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)CN1 ZINC001246842231 812589946 /nfs/dbraw/zinc/58/99/46/812589946.db2.gz XNMKQAYFWOCASU-KGLIPLIRSA-N 2 0 326.441 -0.624 20 0 EBADRP C[NH+]1CCN(CC[NH2+]C[C@H](O)COc2ccc(CCO)cc2)CC1 ZINC001253159538 812673916 /nfs/dbraw/zinc/67/39/16/812673916.db2.gz UWPQQAJWEGYJTN-KRWDZBQOSA-N 2 0 337.464 -0.202 20 0 EBADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@@H](C)CC(=O)N2CCOCC2)O1 ZINC001256326297 812730066 /nfs/dbraw/zinc/73/00/66/812730066.db2.gz LIDCDUWNWNZEPA-NHIYQJMISA-N 2 0 329.441 -0.062 20 0 EBADRP C[C@@H]1O[C@@H](OCC[NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001256568789 812735383 /nfs/dbraw/zinc/73/53/83/812735383.db2.gz FHOZGHHTAJUQSD-BPKBQXTESA-N 2 0 346.468 -0.317 20 0 EBADRP COC(=O)CCS(=O)(=O)CC[C@@H](C)NC(=[NH2+])SCC[NH3+] ZINC001257917147 812772822 /nfs/dbraw/zinc/77/28/22/812772822.db2.gz CWCVOBHZBSFHJJ-SECBINFHSA-N 2 0 325.456 -0.041 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2[C@@H](C1)C2(F)F ZINC001261516815 812923868 /nfs/dbraw/zinc/92/38/68/812923868.db2.gz ALXINCRTJGXTDK-TXEJJXNPSA-N 2 0 332.395 -0.338 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NOCC[NH+](C)C)CC1=O ZINC001261741546 812979822 /nfs/dbraw/zinc/97/98/22/812979822.db2.gz RTLVKYPMIKSCBP-ZIAGYGMSSA-N 2 0 326.441 -0.071 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NOCC[NH+](C)C)CC1=O ZINC001261741544 812980261 /nfs/dbraw/zinc/98/02/61/812980261.db2.gz RTLVKYPMIKSCBP-KGLIPLIRSA-N 2 0 326.441 -0.071 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001262034211 813029733 /nfs/dbraw/zinc/02/97/33/813029733.db2.gz WCDONWCLKHTKPM-UBHSHLNASA-N 2 0 326.441 -0.666 20 0 EBADRP COc1cccc([C@@H](CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[NH+](C)C)c1 ZINC001262060206 813030690 /nfs/dbraw/zinc/03/06/90/813030690.db2.gz SRCLUJHYHFLKMY-OFQRWUPVSA-N 2 0 346.431 -0.013 20 0 EBADRP CCC[NH2+]CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001262095247 813035676 /nfs/dbraw/zinc/03/56/76/813035676.db2.gz PJPARVDKLOSYNE-UPJWGTAASA-N 2 0 325.413 -0.438 20 0 EBADRP C[N@H+](CC(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC001263864036 813131173 /nfs/dbraw/zinc/13/11/73/813131173.db2.gz LVGYUKVEHARGHZ-OBJOEFQTSA-N 2 0 336.436 -0.240 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001263894252 813134033 /nfs/dbraw/zinc/13/40/33/813134033.db2.gz YUNCVUBYHDPRIJ-MJBXVCDLSA-N 2 0 346.497 -0.496 20 0 EBADRP C[C@@H]1CCCN(C(=O)[C@H]2CN(C)CCO2)[C@@H]1CCC[NH2+]CC(N)=O ZINC001264015555 813139630 /nfs/dbraw/zinc/13/96/30/813139630.db2.gz XSPBRHXYYQJOLK-RBSFLKMASA-N 2 0 340.468 -0.201 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@H](O)[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001081553972 813169003 /nfs/dbraw/zinc/16/90/03/813169003.db2.gz PZDNWGAQJGRSEZ-CABCVRRESA-N 2 0 342.484 -0.396 20 0 EBADRP C[C@H](O)C[NH+]1CCN(CCCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001265244739 813273389 /nfs/dbraw/zinc/27/33/89/813273389.db2.gz OKBAJJWJHRVYIU-HNNXBMFYSA-N 2 0 326.485 -0.025 20 0 EBADRP CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001265316723 813304930 /nfs/dbraw/zinc/30/49/30/813304930.db2.gz BEZULVCTCVSYJY-UONOGXRCSA-N 2 0 346.497 -0.542 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001265452933 813326207 /nfs/dbraw/zinc/32/62/07/813326207.db2.gz UOVVSFWACYBBEM-ZDUSSCGKSA-N 2 0 339.440 -0.539 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001265502856 813332904 /nfs/dbraw/zinc/33/29/04/813332904.db2.gz AKNLCULNUJZMBH-SHTZXODSSA-N 2 0 338.452 -0.528 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001265636549 813353692 /nfs/dbraw/zinc/35/36/92/813353692.db2.gz LHNUWANMJOEABC-KBPBESRZSA-N 2 0 338.452 -0.040 20 0 EBADRP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCNS(C)(=O)=O)[NH+](C)C ZINC001265673355 813356874 /nfs/dbraw/zinc/35/68/74/813356874.db2.gz DCCDSEXOUDVKQU-ZIAGYGMSSA-N 2 0 348.513 -0.154 20 0 EBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001265819121 813378538 /nfs/dbraw/zinc/37/85/38/813378538.db2.gz ZEEHHRWMNZZJLH-NSHDSACASA-N 2 0 327.429 -0.637 20 0 EBADRP CC(C)[C@@H](C(=O)NCCC[N@H+](C)CC(=O)NC(N)=O)[NH+]1CCCC1 ZINC001265978276 813432342 /nfs/dbraw/zinc/43/23/42/813432342.db2.gz HHKDVCKVVSAGSP-AWEZNQCLSA-N 2 0 341.456 -0.260 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081703092 813442265 /nfs/dbraw/zinc/44/22/65/813442265.db2.gz LSQVFSWUKZITFN-KGLIPLIRSA-N 2 0 328.457 -0.785 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001266037126 813444580 /nfs/dbraw/zinc/44/45/80/813444580.db2.gz KSAOWAPNBJBPEH-AWEZNQCLSA-N 2 0 346.497 -0.540 20 0 EBADRP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CC(=O)NC(N)=O ZINC001266073167 813451068 /nfs/dbraw/zinc/45/10/68/813451068.db2.gz BLKSTZVFVZPMTF-LBPRGKRZSA-N 2 0 327.429 -0.506 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C1CC1)[C@H]1CCC(=O)NC1=O ZINC001266125566 813463432 /nfs/dbraw/zinc/46/34/32/813463432.db2.gz FMSTTZNYXLIALQ-KGLIPLIRSA-N 2 0 336.436 -0.144 20 0 EBADRP C[NH+](C)CCCC(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001081732319 813486766 /nfs/dbraw/zinc/48/67/66/813486766.db2.gz GKFOSTWEXMCKQE-ZIAGYGMSSA-N 2 0 328.457 -0.785 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001081733588 813489833 /nfs/dbraw/zinc/48/98/33/813489833.db2.gz WCVNNPSEMAHJPJ-ZIAGYGMSSA-N 2 0 328.457 -0.785 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CCNS(C)(=O)=O)C1CC1 ZINC001266415193 813562548 /nfs/dbraw/zinc/56/25/48/813562548.db2.gz RVJWPFCYWDOMRJ-UONOGXRCSA-N 2 0 346.497 -0.496 20 0 EBADRP CS(=O)(=O)CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001266527053 813597586 /nfs/dbraw/zinc/59/75/86/813597586.db2.gz DDSOFFWLSNCIEJ-GJZGRUSLSA-N 2 0 343.493 -0.047 20 0 EBADRP CN(CC[NH2+]CC1(CS(C)(=O)=O)CC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001266659534 813633786 /nfs/dbraw/zinc/63/37/86/813633786.db2.gz FAJKUEJAXRCMIL-ZDUSSCGKSA-N 2 0 331.482 -0.047 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001266827300 813678726 /nfs/dbraw/zinc/67/87/26/813678726.db2.gz RDYUWYOEHISCFQ-AWEZNQCLSA-N 2 0 340.468 -0.377 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001267025225 813738846 /nfs/dbraw/zinc/73/88/46/813738846.db2.gz OGESERQCCUIADY-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CS(=O)(=O)NCC[NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267065678 813750444 /nfs/dbraw/zinc/75/04/44/813750444.db2.gz XDNXFWHQVDEZOW-CYBMUJFWSA-N 2 0 344.481 -0.931 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[N@H+](C)CCN1C(=O)CNC1=O)[NH+](C)C ZINC001267200005 813784489 /nfs/dbraw/zinc/78/44/89/813784489.db2.gz AZAPRGJSPRUBQS-ZDUSSCGKSA-N 2 0 327.429 -0.828 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCC(=O)NC1=O)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001267491744 813914647 /nfs/dbraw/zinc/91/46/47/813914647.db2.gz OFRMZXQYFGTWIL-GXTWGEPZSA-N 2 0 338.452 -0.040 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001082863780 814017929 /nfs/dbraw/zinc/01/79/29/814017929.db2.gz ZENQMDRPKLBQPP-FRRDWIJNSA-N 2 0 334.420 -0.676 20 0 EBADRP CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCN1C(=O)CCC1=O ZINC001267820206 814049109 /nfs/dbraw/zinc/04/91/09/814049109.db2.gz OMQMIFYOHGYHDW-UONOGXRCSA-N 2 0 338.452 -0.038 20 0 EBADRP Cn1cc(CC[NH2+]C[C@H](O)CNC(=O)C23CCC[NH+](CCC2)C3)cn1 ZINC001268312055 814186835 /nfs/dbraw/zinc/18/68/35/814186835.db2.gz TZDMHJOXAPFZAG-INIZCTEOSA-N 2 0 349.479 -0.095 20 0 EBADRP Cn1cc(CC[NH2+]C[C@H](O)CNC(=O)C(C)(C)[NH+]2CCCC2)cn1 ZINC001268318134 814195814 /nfs/dbraw/zinc/19/58/14/814195814.db2.gz VBEFSCBOXKSGJO-HNNXBMFYSA-N 2 0 337.468 -0.096 20 0 EBADRP C[C@H](CC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001268403246 814232803 /nfs/dbraw/zinc/23/28/03/814232803.db2.gz KXJQZZJTOUGQET-CHWSQXEVSA-N 2 0 341.456 -0.070 20 0 EBADRP C[C@@H](CC[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001268423716 814239381 /nfs/dbraw/zinc/23/93/81/814239381.db2.gz OXFQPEHVXNTTJU-KBPBESRZSA-N 2 0 338.456 -0.232 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001268576067 814301420 /nfs/dbraw/zinc/30/14/20/814301420.db2.gz UEPSFDNQGVRKLU-DTSKHDKYSA-N 2 0 329.466 -0.223 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001269422664 814684991 /nfs/dbraw/zinc/68/49/91/814684991.db2.gz JUJKZIMRKKILMM-QWHCGFSZSA-N 2 0 336.436 -0.096 20 0 EBADRP CC(=O)NCCOCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001270557369 815811823 /nfs/dbraw/zinc/81/18/23/815811823.db2.gz KGOXBXDGIKJZGG-NVXWUHKLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC3(C[C@@H]3C(=O)NC3CC[NH+](C)CC3)C2)C1 ZINC001271176344 816019526 /nfs/dbraw/zinc/01/95/26/816019526.db2.gz PPUCWCWTPYSFDP-DZGCQCFKSA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001271450262 816112035 /nfs/dbraw/zinc/11/20/35/816112035.db2.gz UVRFJMZHIKWCPM-CHWSQXEVSA-N 2 0 341.456 -0.260 20 0 EBADRP C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@@H]4CCC[NH+](C)C4)CC3)[C@@H]2C1 ZINC001271519421 816132549 /nfs/dbraw/zinc/13/25/49/816132549.db2.gz JORYDRJQNGIDEU-RBSFLKMASA-N 2 0 334.464 -0.003 20 0 EBADRP CN(C[C@H]1CC[N@@H+]1C[C@H](O)Cn1cccn1)C(=O)C12CC[NH+](CC1)C2 ZINC001085928171 816180817 /nfs/dbraw/zinc/18/08/17/816180817.db2.gz PQSSIDORUQGZIR-CVEARBPZSA-N 2 0 347.463 -0.128 20 0 EBADRP Cn1ncnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001086091908 816227899 /nfs/dbraw/zinc/22/78/99/816227899.db2.gz RZSNBMSAMDOMBA-XGUBFFRZSA-N 2 0 348.451 -0.337 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001086122278 816237804 /nfs/dbraw/zinc/23/78/04/816237804.db2.gz DONHTCRDARQDPI-RFQIPJPRSA-N 2 0 336.436 -0.240 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)CC1 ZINC001086186892 816264776 /nfs/dbraw/zinc/26/47/76/816264776.db2.gz VHRNIJOZAZSNER-OTVXOJSOSA-N 2 0 337.468 -0.162 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086198694 816268204 /nfs/dbraw/zinc/26/82/04/816268204.db2.gz BOKSFBIYRWGFIJ-APIJFGDWSA-N 2 0 337.468 -0.306 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1)C(N)=O ZINC001086221885 816272312 /nfs/dbraw/zinc/27/23/12/816272312.db2.gz PQBICCRVMPPCPE-BZPMIXESSA-N 2 0 336.440 -0.584 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001086272165 816285514 /nfs/dbraw/zinc/28/55/14/816285514.db2.gz WULJCVHBMAYJLN-BYNSBNAKSA-N 2 0 343.493 -0.143 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001086272168 816285670 /nfs/dbraw/zinc/28/56/70/816285670.db2.gz WULJCVHBMAYJLN-ZQDZILKHSA-N 2 0 343.493 -0.143 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001086327570 816297778 /nfs/dbraw/zinc/29/77/78/816297778.db2.gz JCMDDLQDYHSWAF-MGPQQGTHSA-N 2 0 348.451 -0.113 20 0 EBADRP O=C(NC[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001086368025 816309396 /nfs/dbraw/zinc/30/93/96/816309396.db2.gz NYDRBOMBCSYOQT-NGFQHRJXSA-N 2 0 348.447 -0.382 20 0 EBADRP O=C(NC[C@H]1C[C@H]([NH2+]CCn2cncn2)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001086373283 816311240 /nfs/dbraw/zinc/31/12/40/816311240.db2.gz RRHIHRBQOCMZML-YHUYYLMFSA-N 2 0 348.451 -0.374 20 0 EBADRP CN(C)C(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001272196975 816347676 /nfs/dbraw/zinc/34/76/76/816347676.db2.gz PYNQRXODJXGGHD-HUUCEWRRSA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001086478755 816350521 /nfs/dbraw/zinc/35/05/21/816350521.db2.gz YWFHZFYWNZRXAH-LPWJVIDDSA-N 2 0 336.440 -0.710 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1)C(N)=O ZINC001086502826 816356511 /nfs/dbraw/zinc/35/65/11/816356511.db2.gz PQBICCRVMPPCPE-YRGRVCCFSA-N 2 0 336.440 -0.584 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001086550609 816372378 /nfs/dbraw/zinc/37/23/78/816372378.db2.gz ODHIVJCZMDVTBB-KKUMJFAQSA-N 2 0 338.452 -0.719 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086659867 816390387 /nfs/dbraw/zinc/39/03/87/816390387.db2.gz OFHNRDOLUQULLH-RRFJBIMHSA-N 2 0 337.468 -0.020 20 0 EBADRP Cc1nc[nH]c1CC(=O)N(CCO)CC[NH2+]Cc1cnc(C)cn1 ZINC001272301000 816390614 /nfs/dbraw/zinc/39/06/14/816390614.db2.gz MIOZHHFFMPAIQF-UHFFFAOYSA-N 2 0 332.408 -0.030 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2[NH2+]CCO)cn1 ZINC001087006093 816443336 /nfs/dbraw/zinc/44/33/36/816443336.db2.gz HWIUZUHUUSEIIE-LSDHHAIUSA-N 2 0 333.436 -0.608 20 0 EBADRP C[NH+]1CCC(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC(N)=O)CC1 ZINC001087386395 816515927 /nfs/dbraw/zinc/51/59/27/816515927.db2.gz MGMPKKQXSXFCBV-FZKCQIBNSA-N 2 0 334.464 -0.018 20 0 EBADRP C[C@H](CC[NH2+]CCNS(C)(=O)=O)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001272781234 816522945 /nfs/dbraw/zinc/52/29/45/816522945.db2.gz GPZUPROFBJUSGK-OCCSQVGLSA-N 2 0 346.497 -0.638 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272863726 816541131 /nfs/dbraw/zinc/54/11/31/816541131.db2.gz AKLONKMWFNJCGD-STQMWFEESA-N 2 0 341.456 -0.199 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001087908761 816574967 /nfs/dbraw/zinc/57/49/67/816574967.db2.gz MTUPSMRNELRDOU-PMPSAXMXSA-N 2 0 349.479 -0.114 20 0 EBADRP CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001273069664 816577653 /nfs/dbraw/zinc/57/76/53/816577653.db2.gz MDRPSMJMSYJPIG-JALIKCBVSA-N 2 0 338.452 -0.747 20 0 EBADRP COC(=O)[C@@H](C)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273416354 816670380 /nfs/dbraw/zinc/67/03/80/816670380.db2.gz ZVOMTZYKEJQPTF-YOEHRIQHSA-N 2 0 341.452 -0.092 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCN1CCNC1=O ZINC001088980285 816775739 /nfs/dbraw/zinc/77/57/39/816775739.db2.gz CORILECRDFCXOD-KFWWJZLASA-N 2 0 337.468 -0.068 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CCOCCO)C1 ZINC001273866560 816790324 /nfs/dbraw/zinc/79/03/24/816790324.db2.gz KGXPGMARTZQKPJ-GOEBONIOSA-N 2 0 329.441 -0.967 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC/C=C\C[NH2+][C@H]2CCCNC2=O)n1 ZINC001274034895 816844703 /nfs/dbraw/zinc/84/47/03/816844703.db2.gz IZIIZCHZEIMEIS-NQHOJNORSA-N 2 0 348.451 -0.401 20 0 EBADRP CN(C)C(=O)C[NH2+]C/C=C/CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001274124924 816873395 /nfs/dbraw/zinc/87/33/95/816873395.db2.gz LFIXGCZEWYPKHF-AATRIKPKSA-N 2 0 340.468 -0.305 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(=O)N1CCOCC1 ZINC001274132670 816876984 /nfs/dbraw/zinc/87/69/84/816876984.db2.gz CURQTOACGIIMAC-JZIMQPMSSA-N 2 0 338.452 -0.409 20 0 EBADRP CNC(=O)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001089908222 816936779 /nfs/dbraw/zinc/93/67/79/816936779.db2.gz RJCFEFVCMXSAJD-FZKCQIBNSA-N 2 0 334.464 -0.003 20 0 EBADRP CC(C)c1nccn1CC(=O)NC/C=C\CNCc1nc(=O)n(C)[nH]1 ZINC001274405780 816949531 /nfs/dbraw/zinc/94/95/31/816949531.db2.gz YFWFPUZYEGOKNJ-PLNGDYQASA-N 2 0 347.423 -0.110 20 0 EBADRP CCOC[C@@H](O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001274568576 817015135 /nfs/dbraw/zinc/01/51/35/817015135.db2.gz WBKPUOQUJMJIJR-RDJZCZTQSA-N 2 0 343.468 -0.504 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC(O)(C[NH2+]CCF)CC1 ZINC001274580739 817022040 /nfs/dbraw/zinc/02/20/40/817022040.db2.gz JYQKDXMBLNNUOG-CQSZACIVSA-N 2 0 331.432 -0.133 20 0 EBADRP CC(C)OC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274628564 817046314 /nfs/dbraw/zinc/04/63/14/817046314.db2.gz UWZWFXVKUSUNRB-NVXWUHKLSA-N 2 0 343.468 -0.363 20 0 EBADRP Cn1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c(=O)n(C)c1=O ZINC001276321483 817385619 /nfs/dbraw/zinc/38/56/19/817385619.db2.gz LIOSFTBUPUZOHC-GJZGRUSLSA-N 2 0 335.452 -0.706 20 0 EBADRP O=C(N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001090424744 817390233 /nfs/dbraw/zinc/39/02/33/817390233.db2.gz HDKIDRLRCVRNDF-ZBFHGGJFSA-N 2 0 345.403 -0.185 20 0 EBADRP CN(CCC[NH2+]CCN1CCCS1(=O)=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001276379403 817394490 /nfs/dbraw/zinc/39/44/90/817394490.db2.gz DXWJQCPHJUIGFO-AWEZNQCLSA-N 2 0 346.497 -0.588 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](CCN2C(=O)CCC2=O)C1 ZINC001276469162 817410241 /nfs/dbraw/zinc/41/02/41/817410241.db2.gz SWJJFEHVCGXSNZ-ZDUSSCGKSA-N 2 0 338.452 -0.088 20 0 EBADRP C[NH+](C)CCc1ccccc1C(=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090451476 817426655 /nfs/dbraw/zinc/42/66/55/817426655.db2.gz GSIIBHQARMIWHY-IAGOWNOFSA-N 2 0 335.448 -0.052 20 0 EBADRP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001276625893 817441511 /nfs/dbraw/zinc/44/15/11/817441511.db2.gz HTYUKNWMPPLIDL-KBPBESRZSA-N 2 0 337.424 -0.357 20 0 EBADRP COC(C[N@@H+]1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1)OC ZINC001276644074 817445193 /nfs/dbraw/zinc/44/51/93/817445193.db2.gz RSQLKFNWDHXTCJ-QGZVFWFLSA-N 2 0 342.484 -0.177 20 0 EBADRP Cc1cncn1CC(=O)N[C@H](C)CCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001277247512 817537684 /nfs/dbraw/zinc/53/76/84/817537684.db2.gz VYPUQARSHPMMEA-PWSUYJOCSA-N 2 0 338.412 -0.351 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCC[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001277924495 817656689 /nfs/dbraw/zinc/65/66/89/817656689.db2.gz JHYAGMXSXJYEMT-ZDUSSCGKSA-N 2 0 339.440 -0.539 20 0 EBADRP C[NH+](C)CCN1[C@H]2CC[C@H]([C@H](O)C2)[C@H]1C(=O)NC1CC[NH+](C)CC1 ZINC001278040586 817683193 /nfs/dbraw/zinc/68/31/93/817683193.db2.gz ZIYFJDWYTNLGAS-HZMVEIRTSA-N 2 0 338.496 -0.028 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCNC(=O)NC(C)(C)C ZINC001278053225 817687685 /nfs/dbraw/zinc/68/76/85/817687685.db2.gz DIVYZYSJJOTRQU-QWHCGFSZSA-N 2 0 343.472 -0.755 20 0 EBADRP CN1CC[NH+](CCCN2C[C@@H]3CN(CC[NH+](C)C)C[C@H](C2)O3)CC1 ZINC001278119243 817703413 /nfs/dbraw/zinc/70/34/13/817703413.db2.gz YUYUKTJGXFILQC-HDICACEKSA-N 2 0 339.528 -0.430 20 0 EBADRP Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)cn1 ZINC001090730018 817705011 /nfs/dbraw/zinc/70/50/11/817705011.db2.gz DPRQLNFLTSATRN-HOTGVXAUSA-N 2 0 347.463 -0.390 20 0 EBADRP C[N@@H+]1C[C@H](C(=O)NC[C@@H](CO)[NH2+]CCCO)[C@@H](c2ccccc2)C1 ZINC001278156642 817713013 /nfs/dbraw/zinc/71/30/13/817713013.db2.gz YVLSVOQLQSDSMW-BBWFWOEESA-N 2 0 335.448 -0.219 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](CCN2C(=O)CNC2=O)C1 ZINC001278438853 817763025 /nfs/dbraw/zinc/76/30/25/817763025.db2.gz XXWVRDSZKSPKCB-MRXNPFEDSA-N 2 0 339.440 -0.539 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001090956775 817829320 /nfs/dbraw/zinc/82/93/20/817829320.db2.gz INMJXMFKTKPJAV-RUXDESIVSA-N 2 0 336.436 -0.286 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NCC2CC([NH2+][C@H]3CCNC3=O)C2)cn1 ZINC001091276880 817949743 /nfs/dbraw/zinc/94/97/43/817949743.db2.gz BCVVBLZGXJBYBQ-ZALBZXLWSA-N 2 0 348.451 -0.569 20 0 EBADRP O=C(NCC1CC([NH2+][C@@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001091327569 817960725 /nfs/dbraw/zinc/96/07/25/817960725.db2.gz RVBKCHICCAEVRH-WXRRBKDZSA-N 2 0 334.420 -0.628 20 0 EBADRP CCn1nncc1C[NH2+]CCN(CCO)C(=O)C1CC[NH+](C)CC1 ZINC001279820834 817989967 /nfs/dbraw/zinc/98/99/67/817989967.db2.gz PIOHMUVSUFJMNM-UHFFFAOYSA-N 2 0 338.456 -0.450 20 0 EBADRP CC(C)C[NH+]1CC(n2cc(CNC(=O)[C@H]3CN(C)CCO3)nn2)C1 ZINC001094282316 818204472 /nfs/dbraw/zinc/20/44/72/818204472.db2.gz NZCMBNQJYDUKCP-OAHLLOKOSA-N 2 0 336.440 -0.262 20 0 EBADRP Cn1cncc1CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CC3CC3)C2)C1 ZINC001094809524 818501393 /nfs/dbraw/zinc/50/13/93/818501393.db2.gz LXQDAPCZQMLDBI-CYBMUJFWSA-N 2 0 331.420 -0.226 20 0 EBADRP CNC(=O)C[NH2+][C@H](C)[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001282927699 818533643 /nfs/dbraw/zinc/53/36/43/818533643.db2.gz HCMLMMGVDKZUCH-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@@H](COCC(=O)NCCNC(=O)[C@H]1CC[N@H+](C)C1)[NH+]1CCCC1 ZINC001283026330 818591746 /nfs/dbraw/zinc/59/17/46/818591746.db2.gz WRTOPTVDNRNRNJ-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001283121300 818662545 /nfs/dbraw/zinc/66/25/45/818662545.db2.gz CGLPVRHIHLQTAZ-GJZGRUSLSA-N 2 0 340.468 -0.330 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CCC2=O)C1 ZINC001096540226 818850377 /nfs/dbraw/zinc/85/03/77/818850377.db2.gz MFUAWPXXZMPCFN-XGUBFFRZSA-N 2 0 348.447 -0.191 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCN1C(=O)CNC1=O ZINC001096887544 818899667 /nfs/dbraw/zinc/89/96/67/818899667.db2.gz MNOVZTKWSOFUMK-YIYPIFLZSA-N 2 0 349.435 -0.646 20 0 EBADRP C[C@@H]1[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001283881541 819017269 /nfs/dbraw/zinc/01/72/69/819017269.db2.gz NLKFDQUAFPBZCB-TZMCWYRMSA-N 2 0 346.497 -0.401 20 0 EBADRP O=C(N[C@H]1CC[C@H](C[NH2+]CCOCCO)C1)C12CC[NH+](CC1)C2 ZINC001284242768 819146425 /nfs/dbraw/zinc/14/64/25/819146425.db2.gz NBTDNZYKQHNUFH-GJZGRUSLSA-N 2 0 325.453 -0.034 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC([NH+](CCO)CCO)CC1 ZINC001098368137 819153276 /nfs/dbraw/zinc/15/32/76/819153276.db2.gz FULMNQCMQZFJNH-INIZCTEOSA-N 2 0 325.453 -0.394 20 0 EBADRP C[C@@H](O)C[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001098368078 819153467 /nfs/dbraw/zinc/15/34/67/819153467.db2.gz BIDLXURHDMOLCZ-PBHICJAKSA-N 2 0 339.480 -0.006 20 0 EBADRP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C(C)(C)C1 ZINC001284313848 819180371 /nfs/dbraw/zinc/18/03/71/819180371.db2.gz TXIMXKRDJFIWOJ-CHWSQXEVSA-N 2 0 338.452 -0.040 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC([N@H+](CCO)C[C@@H](O)COC)CC1 ZINC001098506217 819222943 /nfs/dbraw/zinc/22/29/43/819222943.db2.gz OLFRSKWEYIWTJK-MRXNPFEDSA-N 2 0 345.484 -0.379 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC([NH+](CCO)C[C@@H](O)COC)CC1 ZINC001098540376 819237881 /nfs/dbraw/zinc/23/78/81/819237881.db2.gz HBVIOUGVEWDHED-MRXNPFEDSA-N 2 0 345.484 -0.379 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC([NH+](CCO)CCO)CC1 ZINC001098562573 819246345 /nfs/dbraw/zinc/24/63/45/819246345.db2.gz ZAPCOSWFHSQCCW-OAHLLOKOSA-N 2 0 343.468 -0.768 20 0 EBADRP C[C@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)nn1 ZINC001098711303 819339724 /nfs/dbraw/zinc/33/97/24/819339724.db2.gz SNHQEKXEYIUWMS-DZGCQCFKSA-N 2 0 338.456 -0.136 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098763019 819357273 /nfs/dbraw/zinc/35/72/73/819357273.db2.gz SNAHIZBVOFILER-HNNXBMFYSA-N 2 0 338.456 -0.135 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](n2cc(C[NH2+]C[C@@H](C)O)nn2)C1 ZINC001098773434 819361993 /nfs/dbraw/zinc/36/19/93/819361993.db2.gz BSRZXAUVNRGEJR-UKRRQHHQSA-N 2 0 338.456 -0.136 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098779607 819364772 /nfs/dbraw/zinc/36/47/72/819364772.db2.gz IMKIVZKCQHBXME-OAHLLOKOSA-N 2 0 336.440 -0.381 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CCOCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001284869640 819381034 /nfs/dbraw/zinc/38/10/34/819381034.db2.gz YYHAXOMOGPRYGT-UKRRQHHQSA-N 2 0 340.468 -0.473 20 0 EBADRP CN(CCOCC[NH2+]CC(N)=O)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001284876223 819385752 /nfs/dbraw/zinc/38/57/52/819385752.db2.gz QEIGPTROTCXQKR-MRXNPFEDSA-N 2 0 346.447 -0.251 20 0 EBADRP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@H+](CCn3cccn3)C[C@H]2O)CCC1 ZINC001099872426 819809897 /nfs/dbraw/zinc/80/98/97/819809897.db2.gz UGSLNOOPUPBDFD-HUUCEWRRSA-N 2 0 335.452 -0.081 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](O)C1 ZINC001099892088 819846213 /nfs/dbraw/zinc/84/62/13/819846213.db2.gz HJXOFGVQOTZDIQ-HUUCEWRRSA-N 2 0 343.468 -0.457 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[NH+](CCOCCOC)C[C@H]1O ZINC001099899248 819867107 /nfs/dbraw/zinc/86/71/07/819867107.db2.gz PBVTYVHEOCFQKG-LSDHHAIUSA-N 2 0 345.484 -0.069 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2)C[C@@H]1O ZINC001099987229 819994476 /nfs/dbraw/zinc/99/44/76/819994476.db2.gz WOVKECPLHJEJBK-HOTGVXAUSA-N 2 0 348.447 -0.211 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CCc2ccnn2C)C[C@H]1O ZINC001100041103 820106848 /nfs/dbraw/zinc/10/68/48/820106848.db2.gz DZUKAHWHTWRMRS-HZPDHXFCSA-N 2 0 337.468 -0.144 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCc2ccnn2C)C[C@@H]1O ZINC001100063667 820144948 /nfs/dbraw/zinc/14/49/48/820144948.db2.gz AWQWXCMIXWVLCX-HOTGVXAUSA-N 2 0 337.468 -0.144 20 0 EBADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100073386 820163215 /nfs/dbraw/zinc/16/32/15/820163215.db2.gz CJDIVRNJFYXZJK-GJZGRUSLSA-N 2 0 331.457 -0.457 20 0 EBADRP CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076582 820170754 /nfs/dbraw/zinc/17/07/54/820170754.db2.gz NOZNBQMYKAITTF-HOTGVXAUSA-N 2 0 345.484 -0.069 20 0 EBADRP CC(C)COCC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076769 820171863 /nfs/dbraw/zinc/17/18/63/820171863.db2.gz QZOZDVXXSXJSSW-CVEARBPZSA-N 2 0 345.484 -0.211 20 0 EBADRP CC(C)COCC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076770 820172952 /nfs/dbraw/zinc/17/29/52/820172952.db2.gz QZOZDVXXSXJSSW-HOTGVXAUSA-N 2 0 345.484 -0.211 20 0 EBADRP NC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001100334944 820365018 /nfs/dbraw/zinc/36/50/18/820365018.db2.gz BMXZEQPZSCIQEM-KGPNIALWSA-N 2 0 337.424 -0.993 20 0 EBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001100605441 820484577 /nfs/dbraw/zinc/48/45/77/820484577.db2.gz CANQUTDUMFSHNP-JXQTWKCFSA-N 2 0 326.441 -0.674 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC2CC([NH2+]CCN3CCNC3=O)C2)CC1 ZINC001100617070 820488275 /nfs/dbraw/zinc/48/82/75/820488275.db2.gz BNZHTTPMHTXRQP-UHFFFAOYSA-N 2 0 337.468 -0.162 20 0 EBADRP COCCCNC(=O)C[NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100619667 820489185 /nfs/dbraw/zinc/48/91/85/820489185.db2.gz BDZTUTSSLMJMPP-UHFFFAOYSA-N 2 0 342.484 -0.035 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100636705 820496291 /nfs/dbraw/zinc/49/62/91/820496291.db2.gz GRYULTARFFHUAW-HIFPTAJRSA-N 2 0 341.456 -0.343 20 0 EBADRP COCCCNC(=O)C[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100637132 820496811 /nfs/dbraw/zinc/49/68/11/820496811.db2.gz DAANUIIWZHIBKL-UHFFFAOYSA-N 2 0 328.457 -0.425 20 0 EBADRP CC(C)[C@H](C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001100647056 820498998 /nfs/dbraw/zinc/49/89/98/820498998.db2.gz AGRSGTZVBCEENS-GCZXYKMCSA-N 2 0 327.429 -0.748 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC2CC([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001100678275 820508568 /nfs/dbraw/zinc/50/85/68/820508568.db2.gz FXPMCZSPIIOWKE-HSBZDZAISA-N 2 0 346.497 -0.638 20 0 EBADRP CC[C@@H](C)NC(=O)C[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100870514 820585105 /nfs/dbraw/zinc/58/51/05/820585105.db2.gz HSPNPIGUGWUPRF-WLYUNCDWSA-N 2 0 342.484 -0.036 20 0 EBADRP CN(CC[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1)S(C)(=O)=O ZINC001100985881 820632638 /nfs/dbraw/zinc/63/26/38/820632638.db2.gz HIWICRPWRHYKLR-UHFFFAOYSA-N 2 0 346.497 -0.542 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101353281 820763998 /nfs/dbraw/zinc/76/39/98/820763998.db2.gz ZMTSSPVRSCXBPL-RYRKJORJSA-N 2 0 349.479 -0.024 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101352710 820764433 /nfs/dbraw/zinc/76/44/33/820764433.db2.gz KLTBXYCFVLCQBC-HSMVNMDESA-N 2 0 339.440 -0.698 20 0 EBADRP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@H+](CCOCCO)C[C@@]2(C)C1 ZINC001101432775 820790140 /nfs/dbraw/zinc/79/01/40/820790140.db2.gz ZNWXAMWTJVBRES-WBVHZDCISA-N 2 0 343.468 -0.646 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102496175 821126257 /nfs/dbraw/zinc/12/62/57/821126257.db2.gz HWXJXTPKDGCEHO-VXGBXAGGSA-N 2 0 327.429 -0.793 20 0 EBADRP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513711 821135425 /nfs/dbraw/zinc/13/54/25/821135425.db2.gz YHRFRTKWLPQRRI-MGPQQGTHSA-N 2 0 326.441 -0.863 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102525109 821138553 /nfs/dbraw/zinc/13/85/53/821138553.db2.gz LJVSUEVRACSENX-MCIONIFRSA-N 2 0 338.452 -0.183 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001103999646 821385526 /nfs/dbraw/zinc/38/55/26/821385526.db2.gz FYBBOKLPSQFMSK-MGPQQGTHSA-N 2 0 335.456 -0.122 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+][C@H]1CCNC1=O ZINC001104908359 821563697 /nfs/dbraw/zinc/56/36/97/821563697.db2.gz TWFYKEGSBUPPIR-KFWWJZLASA-N 2 0 340.468 -0.473 20 0 EBADRP C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)C[N@H+](C)C3CCC3)C2)nn1 ZINC001105259737 821651419 /nfs/dbraw/zinc/65/14/19/821651419.db2.gz KLNYSCYHHZLIML-GFCCVEGCSA-N 2 0 336.440 -0.384 20 0 EBADRP C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)C34CCC[NH+]3CCC4)C2)nn1 ZINC001105276802 821664625 /nfs/dbraw/zinc/66/46/25/821664625.db2.gz SFYIDTNJWOFOFR-CYBMUJFWSA-N 2 0 348.451 -0.240 20 0 EBADRP C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001105327002 821694370 /nfs/dbraw/zinc/69/43/70/821694370.db2.gz OFOQJZCPTJYBIW-CHWSQXEVSA-N 2 0 336.440 -0.526 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105326924 821694633 /nfs/dbraw/zinc/69/46/33/821694633.db2.gz LUULKIVJOSUDQC-WFASDCNBSA-N 2 0 336.440 -0.669 20 0 EBADRP CC(C)C[NH2+]Cc1cn(C2CN(C(=O)COCC[NH+](C)C)C2)nn1 ZINC001105360847 821718874 /nfs/dbraw/zinc/71/88/74/821718874.db2.gz KKLSGGQAGXOWCT-UHFFFAOYSA-N 2 0 338.456 -0.015 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC(n2cc(C[NH2+]C[C@H](C)O)nn2)C1 ZINC001105365305 821721620 /nfs/dbraw/zinc/72/16/20/821721620.db2.gz LXMWNUMPBNHPBS-ZDUSSCGKSA-N 2 0 338.456 -0.136 20 0 EBADRP CC(C)[C@@H]1N(C(=O)CC[NH+](C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001105660445 821788889 /nfs/dbraw/zinc/78/88/89/821788889.db2.gz VDYIGBLXFIJQIO-UTJXIGIESA-N 2 0 340.468 -0.611 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001316635873 821822697 /nfs/dbraw/zinc/82/26/97/821822697.db2.gz HOXXFXATKNXEIV-AAVRWANBSA-N 2 0 336.436 -0.382 20 0 EBADRP CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001316639214 821825409 /nfs/dbraw/zinc/82/54/09/821825409.db2.gz HNDSGAWRGVOSQB-AVGNSLFASA-N 2 0 339.440 -0.637 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCc1nc(C[NH2+]CCCO)cc(=O)[nH]1 ZINC001316715946 821833480 /nfs/dbraw/zinc/83/34/80/821833480.db2.gz OWDKZTDIKBDOPR-ZDUSSCGKSA-N 2 0 337.424 -0.245 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCCCN2CC[NH+](CCO)CC2)CC[N@@H+]1C ZINC001316958171 821937259 /nfs/dbraw/zinc/93/72/59/821937259.db2.gz PAKUUCHCAPLBRP-JKSUJKDBSA-N 2 0 326.485 -0.167 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001317114947 822007795 /nfs/dbraw/zinc/00/77/95/822007795.db2.gz HOPGPWXEMHNOFS-OWCLPIDISA-N 2 0 340.468 -0.140 20 0 EBADRP Cn1cncc1CCC(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001317125632 822010602 /nfs/dbraw/zinc/01/06/02/822010602.db2.gz GSRYFDGPRZMWMY-TXEJJXNPSA-N 2 0 348.407 -0.859 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105945796 822016032 /nfs/dbraw/zinc/01/60/32/822016032.db2.gz DWKMXUTYMYCSQL-JHJVBQTASA-N 2 0 339.440 -0.780 20 0 EBADRP CN(CC[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C)S(C)(=O)=O ZINC001317194610 822032740 /nfs/dbraw/zinc/03/27/40/822032740.db2.gz ZMDHEQLGAZZPOA-CQSZACIVSA-N 2 0 348.513 -0.200 20 0 EBADRP C[NH+](C)C1(C(=O)N2CC[C@H](C[NH2+]CCS(C)(=O)=O)C2)CCC1 ZINC001317321627 822082313 /nfs/dbraw/zinc/08/23/13/822082313.db2.gz HGRZPHPIJGISML-CYBMUJFWSA-N 2 0 331.482 -0.047 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001317334524 822086138 /nfs/dbraw/zinc/08/61/38/822086138.db2.gz BJBNMHNDOMRXJM-STQMWFEESA-N 2 0 334.486 -0.686 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1CCc2nnc(C[NH2+]CCCO)n2CC1 ZINC001128032385 828399549 /nfs/dbraw/zinc/39/95/49/828399549.db2.gz FSXVMYOXCUFIKQ-ZDUSSCGKSA-N 2 0 338.456 -0.477 20 0 EBADRP CN(CC[NH2+]CC(=O)Nc1cnccn1)C(=O)C1CC[NH+](C)CC1 ZINC001317632107 822186232 /nfs/dbraw/zinc/18/62/32/822186232.db2.gz MJKINUVVTROZQE-UHFFFAOYSA-N 2 0 334.424 -0.195 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001317654095 822193455 /nfs/dbraw/zinc/19/34/55/822193455.db2.gz XPGYAQSIOVRBLY-ZDUSSCGKSA-N 2 0 329.445 -0.534 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1)[NH+](C)C ZINC001106312397 822245111 /nfs/dbraw/zinc/24/51/11/822245111.db2.gz FLLKQQQYFKTATL-IJLUTSLNSA-N 2 0 327.429 -0.794 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC)[C@H](C)C1)[NH+](C)C ZINC001106674464 822309624 /nfs/dbraw/zinc/30/96/24/822309624.db2.gz WBPLFLHJPPSVFS-UPJWGTAASA-N 2 0 341.456 -0.534 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)[C@H](C)C1 ZINC001106783364 822331076 /nfs/dbraw/zinc/33/10/76/822331076.db2.gz OHEWRNMFJXLQLW-MGPQQGTHSA-N 2 0 338.452 -0.183 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001106784590 822331150 /nfs/dbraw/zinc/33/11/50/822331150.db2.gz JTZPXPXFNBWOCY-FRRDWIJNSA-N 2 0 341.456 -0.404 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106878304 822346588 /nfs/dbraw/zinc/34/65/88/822346588.db2.gz LLXGJKGZZWTXJN-ZIAGYGMSSA-N 2 0 349.497 -0.707 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106878711 822346771 /nfs/dbraw/zinc/34/67/71/822346771.db2.gz YJGGSESJQDMOLN-HUUCEWRRSA-N 2 0 342.484 -0.227 20 0 EBADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106874562 822347443 /nfs/dbraw/zinc/34/74/43/822347443.db2.gz KZTAMKOJMKLFMD-JHJVBQTASA-N 2 0 339.440 -0.793 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CCOCCO ZINC001106882428 822348119 /nfs/dbraw/zinc/34/81/19/822348119.db2.gz VNSZZBRFFVAEML-HUUCEWRRSA-N 2 0 325.453 -0.225 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]CCOCCNC(C)=O ZINC001128533212 828470996 /nfs/dbraw/zinc/47/09/96/828470996.db2.gz JGSQUEDHVGGSMQ-CQSZACIVSA-N 2 0 334.436 -0.475 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+][C@@H](C)C(=O)NCCCOC ZINC001128552671 828473859 /nfs/dbraw/zinc/47/38/59/828473859.db2.gz RRPBPYUVMYTRQF-UONOGXRCSA-N 2 0 348.463 -0.087 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1cnccn1 ZINC001128774392 828524421 /nfs/dbraw/zinc/52/44/21/828524421.db2.gz RICPWSMVOARAJK-CYBMUJFWSA-N 2 0 334.424 -0.005 20 0 EBADRP CC(C)C[NH+]1CC(n2cc(CNC(=O)COCC[NH+](C)C)nn2)C1 ZINC001107230078 823817650 /nfs/dbraw/zinc/81/76/50/823817650.db2.gz ZDHWPZWAISMAIV-UHFFFAOYSA-N 2 0 338.456 -0.015 20 0 EBADRP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129204849 828580469 /nfs/dbraw/zinc/58/04/69/828580469.db2.gz MRESWTIPCXUUPT-KFWWJZLASA-N 2 0 338.456 -0.004 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129351988 828603793 /nfs/dbraw/zinc/60/37/93/828603793.db2.gz SNKAKZXBLKQTRI-UHFFFAOYSA-N 2 0 327.429 -0.588 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129363486 828604643 /nfs/dbraw/zinc/60/46/43/828604643.db2.gz HTANBDPFTHGVGN-GFCCVEGCSA-N 2 0 341.456 -0.201 20 0 EBADRP C[NH+](C)C1(C(=O)NCC[NH2+]C[C@@H](O)COC[C@H]2CCCO2)CCC1 ZINC001129363010 828604977 /nfs/dbraw/zinc/60/49/77/828604977.db2.gz DGTFLZBRLBIXGL-HUUCEWRRSA-N 2 0 343.468 -0.267 20 0 EBADRP C[NH+](C)C1(C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)CCC1 ZINC001129358155 828605022 /nfs/dbraw/zinc/60/50/22/828605022.db2.gz QNTCPZZWHUUCBR-ZDUSSCGKSA-N 2 0 326.441 -0.840 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)C(=O)N(C)C ZINC001129364311 828605784 /nfs/dbraw/zinc/60/57/84/828605784.db2.gz RWAGRYSHKHQBDT-UKRRQHHQSA-N 2 0 340.468 -0.188 20 0 EBADRP COCCOCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364048 828605924 /nfs/dbraw/zinc/60/59/24/828605924.db2.gz OFXCBVPMRCPYBW-MRXNPFEDSA-N 2 0 343.468 -0.001 20 0 EBADRP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129459956 828622829 /nfs/dbraw/zinc/62/28/29/828622829.db2.gz DVCYGQBTMUJSSC-KFWWJZLASA-N 2 0 338.456 -0.005 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C)C(=O)NC(=O)NC1CC1 ZINC001129454499 828622854 /nfs/dbraw/zinc/62/28/54/828622854.db2.gz JVNKVRMUSSSWFH-GWCFXTLKSA-N 2 0 339.440 -0.591 20 0 EBADRP O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430037 828617741 /nfs/dbraw/zinc/61/77/41/828617741.db2.gz NCRRMSORDRTNOI-ZIAGYGMSSA-N 2 0 336.436 -0.096 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129436764 828618959 /nfs/dbraw/zinc/61/89/59/828618959.db2.gz SHHRMGHKSSXLJC-CYBMUJFWSA-N 2 0 334.486 -0.638 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC001129437148 828620049 /nfs/dbraw/zinc/62/00/49/828620049.db2.gz VYTLTCMPVWUULP-OCCSQVGLSA-N 2 0 331.482 -0.143 20 0 EBADRP Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)[C@H](C3CC3)[NH+](C)C)C2=O)n1 ZINC001129442733 828620221 /nfs/dbraw/zinc/62/02/21/828620221.db2.gz DWEAVLXTWRENOQ-HIFRSBDPSA-N 2 0 348.451 -0.429 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1)C1CC1 ZINC001129449626 828621454 /nfs/dbraw/zinc/62/14/54/828621454.db2.gz QQRODBUOBGVCFG-HOCLYGCPSA-N 2 0 343.468 -0.411 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@@H](C2CC2)[NH+](C)C)n(C)n1 ZINC001129455797 828622381 /nfs/dbraw/zinc/62/23/81/828622381.db2.gz XFDLJHYWSODDFJ-OAHLLOKOSA-N 2 0 336.440 -0.287 20 0 EBADRP C[N@H+](CC(=O)NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1)C1CCC1 ZINC001129535577 828631866 /nfs/dbraw/zinc/63/18/66/828631866.db2.gz XHZIZMRMMIKFQV-HOTGVXAUSA-N 2 0 343.468 -0.267 20 0 EBADRP C[N@H+](CC(=O)NCC[NH2+]CC(=O)Nc1nncs1)C1CCC1 ZINC001129531669 828631055 /nfs/dbraw/zinc/63/10/55/828631055.db2.gz FEKATKZTOXTKPW-UHFFFAOYSA-N 2 0 326.426 -0.333 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001108570255 824380659 /nfs/dbraw/zinc/38/06/59/824380659.db2.gz XVANCIZOKZVVGH-UONOGXRCSA-N 2 0 338.452 -0.624 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129842110 828680560 /nfs/dbraw/zinc/68/05/60/828680560.db2.gz UCYNWCFGRDOKDO-CQSZACIVSA-N 2 0 348.513 -0.152 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129856659 828682580 /nfs/dbraw/zinc/68/25/80/828682580.db2.gz VIPOTKHZNBPZAZ-LBPRGKRZSA-N 2 0 327.429 -0.588 20 0 EBADRP O=C(N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)C12CCC[NH+]1CCC2 ZINC001129924885 828695691 /nfs/dbraw/zinc/69/56/91/828695691.db2.gz LWVQYFFLCNFJNB-CABCVRRESA-N 2 0 348.451 -0.370 20 0 EBADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129985123 828707719 /nfs/dbraw/zinc/70/77/19/828707719.db2.gz PIBWDVAFKDEPNG-ZNMIVQPWSA-N 2 0 338.456 -0.004 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130173808 828744625 /nfs/dbraw/zinc/74/46/25/828744625.db2.gz ORPJRNLXNOGOAT-UHFFFAOYSA-N 2 0 340.468 -0.279 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130173893 828744863 /nfs/dbraw/zinc/74/48/63/828744863.db2.gz STFKIUPVBXJWFS-UHFFFAOYSA-N 2 0 332.470 -0.883 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001130200660 828753908 /nfs/dbraw/zinc/75/39/08/828753908.db2.gz MTYGXBARDGXWTQ-CMPLNLGQSA-N 2 0 327.429 -0.591 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O)[NH+](C)C ZINC001130200959 828754007 /nfs/dbraw/zinc/75/40/07/828754007.db2.gz QUTBNMSSUZCAQD-LLVKDONJSA-N 2 0 327.429 -0.637 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1)[NH+](C)C ZINC001130204844 828755078 /nfs/dbraw/zinc/75/50/78/828755078.db2.gz AYOATRFPCVEVHI-DZGCQCFKSA-N 2 0 331.457 -0.411 20 0 EBADRP CN(C(=O)C[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1)C1CC1 ZINC001130230607 828761132 /nfs/dbraw/zinc/76/11/32/828761132.db2.gz PAYKWUAMJDYMHD-UHFFFAOYSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001130231687 828761302 /nfs/dbraw/zinc/76/13/02/828761302.db2.gz CKIAXHDUHNAMQR-UHFFFAOYSA-N 2 0 349.497 -0.515 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111937959 825349691 /nfs/dbraw/zinc/34/96/91/825349691.db2.gz DUKVLONMEABDFU-UXLLHSPISA-N 2 0 343.468 -0.457 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130306100 828778189 /nfs/dbraw/zinc/77/81/89/828778189.db2.gz ROGJTYSTXTYZST-CHWSQXEVSA-N 2 0 341.456 -0.201 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130305734 828778473 /nfs/dbraw/zinc/77/84/73/828778473.db2.gz JSJIJBNMZGANOG-ZDUSSCGKSA-N 2 0 341.456 -0.198 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001130421895 828828030 /nfs/dbraw/zinc/82/80/30/828828030.db2.gz NRRBKNFISQRNAC-CABCVRRESA-N 2 0 345.484 -0.021 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001130425375 828830038 /nfs/dbraw/zinc/83/00/38/828830038.db2.gz WNQRSUGMDUPAMR-ZDUSSCGKSA-N 2 0 328.457 -0.594 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)[C@@H]1C ZINC001179763333 833009243 /nfs/dbraw/zinc/00/92/43/833009243.db2.gz HQYWORQJXZKKCX-KBPBESRZSA-N 2 0 325.457 -0.068 20 0 EBADRP CCN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001114290776 826196003 /nfs/dbraw/zinc/19/60/03/826196003.db2.gz NMPFKANINKFOIP-LJIGWXMPSA-N 2 0 334.464 -0.147 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114353383 826211610 /nfs/dbraw/zinc/21/16/10/826211610.db2.gz RKLMSJGSANXZJI-BARDWOONSA-N 2 0 331.432 -0.278 20 0 EBADRP COCCOCC[NH2+][C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C ZINC001179933135 833027731 /nfs/dbraw/zinc/02/77/31/833027731.db2.gz APYGBFDBURMGNZ-GJZGRUSLSA-N 2 0 331.457 -0.193 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001114745557 826331326 /nfs/dbraw/zinc/33/13/26/826331326.db2.gz BXRBEVNGRMPPJY-LJIGWXMPSA-N 2 0 335.452 -0.368 20 0 EBADRP CN(CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C)S(C)(=O)=O ZINC001114750441 826331960 /nfs/dbraw/zinc/33/19/60/826331960.db2.gz IDFNWHDONXWICW-NHAGDIPZSA-N 2 0 346.497 -0.734 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001180136275 833045511 /nfs/dbraw/zinc/04/55/11/833045511.db2.gz VKJZSZILFHXVLD-STQMWFEESA-N 2 0 339.440 -0.493 20 0 EBADRP Cn1cc(CC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)COCC[NH+](C)C)cn1 ZINC001115125723 826427873 /nfs/dbraw/zinc/42/78/73/826427873.db2.gz BCDXECLANGSMEB-QLPKVWCKSA-N 2 0 335.452 -0.413 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCCCC1 ZINC001115298748 826500806 /nfs/dbraw/zinc/50/08/06/826500806.db2.gz WZXAWFYBLFJVFT-AIANPOQGSA-N 2 0 325.453 -0.084 20 0 EBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC001116966319 826657581 /nfs/dbraw/zinc/65/75/81/826657581.db2.gz ZWYCBUJJMQMVKI-OAHLLOKOSA-N 2 0 340.468 -0.375 20 0 EBADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)N[C@H]3CCOC3)CC2)CC1 ZINC001117141508 826692909 /nfs/dbraw/zinc/69/29/09/826692909.db2.gz VMNNCWCEXGIIEF-AWEZNQCLSA-N 2 0 338.452 -0.434 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001117315396 826717236 /nfs/dbraw/zinc/71/72/36/826717236.db2.gz YYCVEBLEFSPEJV-ILXRZTDVSA-N 2 0 339.484 -0.663 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[C@H](C[NH+](C)C)C3)C[C@H]2[NH3+])cn1 ZINC001118085642 826848803 /nfs/dbraw/zinc/84/88/03/826848803.db2.gz IPGJKQMTFRHYMW-VHDGCEQUSA-N 2 0 348.451 -0.917 20 0 EBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)c3cn(CCCC[NH3+])nn3)C2)CC1 ZINC001118198759 826874533 /nfs/dbraw/zinc/87/45/33/826874533.db2.gz ZHNRAOVYXHINKJ-AWEZNQCLSA-N 2 0 349.483 -0.085 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001118678534 826982278 /nfs/dbraw/zinc/98/22/78/826982278.db2.gz JQPNAARKLCJDOV-CQSZACIVSA-N 2 0 326.441 -0.624 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001119037227 827052367 /nfs/dbraw/zinc/05/23/67/827052367.db2.gz QMEMLZVJMGGFOQ-ZDUSSCGKSA-N 2 0 325.457 -0.970 20 0 EBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001119704102 827135759 /nfs/dbraw/zinc/13/57/59/827135759.db2.gz ZNGZYCHCYHQIPO-XJKCOSOUSA-N 2 0 326.441 -0.903 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1)C[NH+](C)C ZINC001119846211 827152441 /nfs/dbraw/zinc/15/24/41/827152441.db2.gz NOERBDDRGBOBDJ-ZIAGYGMSSA-N 2 0 328.457 -0.521 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCN1CCC([NH3+])CC1 ZINC001120558026 827246004 /nfs/dbraw/zinc/24/60/04/827246004.db2.gz PWVUMIXJTTZJIL-UHFFFAOYSA-N 3 0 328.505 -0.456 20 0 EBADRP C[NH+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CCNS(C)(=O)=O)C2 ZINC001121703243 827429001 /nfs/dbraw/zinc/42/90/01/827429001.db2.gz QLMLIGMVCBFBFK-UHFFFAOYSA-N 2 0 346.497 -0.496 20 0 EBADRP CC(=O)N[C@H](CCO)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001182122868 833204038 /nfs/dbraw/zinc/20/40/38/833204038.db2.gz HGUOJHITWBOWFB-OAHLLOKOSA-N 2 0 330.473 -0.395 20 0 EBADRP [NH3+]CC1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC(O)C1 ZINC001121927253 827483575 /nfs/dbraw/zinc/48/35/75/827483575.db2.gz BXPUUDQFUOEISG-UHFFFAOYSA-N 3 0 347.463 -0.190 20 0 EBADRP CC[NH+](CC)CC(=O)NC1CC2(C1)CC([NH2+]CC(=O)NC(N)=O)C2 ZINC001121935069 827486329 /nfs/dbraw/zinc/48/63/29/827486329.db2.gz GEWJXVHJYMJTRH-UHFFFAOYSA-N 2 0 339.440 -0.460 20 0 EBADRP CNC(=O)C[NH2+]C1CC2(CC(NC(=O)COCC[NH+](C)C)C2)C1 ZINC001122063413 827513810 /nfs/dbraw/zinc/51/38/10/827513810.db2.gz HWEPVMXCLAQLDG-UHFFFAOYSA-N 2 0 326.441 -0.672 20 0 EBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC001123484287 827711021 /nfs/dbraw/zinc/71/10/21/827711021.db2.gz PZLKGZUVHVBETQ-SJORKVTESA-N 2 0 335.496 -0.385 20 0 EBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001182670071 833251952 /nfs/dbraw/zinc/25/19/52/833251952.db2.gz IEKVEUAQWJDZLX-CYBMUJFWSA-N 2 0 336.440 -0.615 20 0 EBADRP CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001182624056 833248787 /nfs/dbraw/zinc/24/87/87/833248787.db2.gz XZYBGNKYUYQVJM-ZIAGYGMSSA-N 2 0 344.481 -0.932 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182676594 833252814 /nfs/dbraw/zinc/25/28/14/833252814.db2.gz NKOQZGPGZIQBIW-FVQBIDKESA-N 2 0 340.468 -0.330 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001182965073 833271283 /nfs/dbraw/zinc/27/12/83/833271283.db2.gz TVOGEGSVMLHNCI-ZIAGYGMSSA-N 2 0 343.447 -0.118 20 0 EBADRP CC(C)CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124866398 827969690 /nfs/dbraw/zinc/96/96/90/827969690.db2.gz BOEZCMTVBFRGRM-OAHLLOKOSA-N 2 0 342.484 -0.035 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124866697 827969745 /nfs/dbraw/zinc/96/97/45/827969745.db2.gz JFDJESMCMKTUMX-GFCCVEGCSA-N 2 0 327.429 -0.588 20 0 EBADRP Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)[C@@H]3CCC[N@@H+]3C)C2=O)cn1 ZINC001124878829 827973207 /nfs/dbraw/zinc/97/32/07/827973207.db2.gz PBBHMJDGKMTQAA-KBPBESRZSA-N 2 0 334.424 -0.675 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC001124879402 827973474 /nfs/dbraw/zinc/97/34/74/827973474.db2.gz SWDSBCHAHKAIOL-QWRGUYRKSA-N 2 0 336.358 -0.050 20 0 EBADRP COC[C@@H](O)C[NH2+]C[C@]1(C)CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001183164969 833282298 /nfs/dbraw/zinc/28/22/98/833282298.db2.gz HWWLUFQGOQURLH-HLLBOEOZSA-N 2 0 345.484 -0.354 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@]1(C)C[NH2+][C@H]1CCNC1=O ZINC001183164870 833282563 /nfs/dbraw/zinc/28/25/63/833282563.db2.gz CFXZDTZITDDUOA-JKIFEVAISA-N 2 0 340.468 -0.473 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001183229146 833284339 /nfs/dbraw/zinc/28/43/39/833284339.db2.gz CRWSTPNHQCMUIT-HIFRSBDPSA-N 2 0 338.452 -0.434 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001183267818 833285213 /nfs/dbraw/zinc/28/52/13/833285213.db2.gz NVHCCVZGUHLIFL-ZIAGYGMSSA-N 2 0 346.497 -0.544 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@]1(C)C[NH2+]Cc1nnnn1C ZINC001183398873 833289028 /nfs/dbraw/zinc/28/90/28/833289028.db2.gz KLMJELGERFYTBN-CZUORRHYSA-N 2 0 335.456 -0.120 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1)[NH+](C)C ZINC001183581915 833296218 /nfs/dbraw/zinc/29/62/18/833296218.db2.gz PBXMKSHWKSMOBQ-QLFBSQMISA-N 2 0 340.468 -0.500 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001183647724 833297959 /nfs/dbraw/zinc/29/79/59/833297959.db2.gz JDQCMSPXSDKSFA-HZPDHXFCSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(=O)N[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@@H](C)O ZINC001183699461 833302070 /nfs/dbraw/zinc/30/20/70/833302070.db2.gz SFTVVDMGKYXGLC-HIFRSBDPSA-N 2 0 330.473 -0.396 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001127065632 828247475 /nfs/dbraw/zinc/24/74/75/828247475.db2.gz CGYBECCVWQPXRG-ZDUSSCGKSA-N 2 0 334.486 -0.544 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001127081777 828248379 /nfs/dbraw/zinc/24/83/79/828248379.db2.gz BIWRMSOBIIMYHA-CABCVRRESA-N 2 0 340.468 -0.282 20 0 EBADRP CC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001183874556 833310370 /nfs/dbraw/zinc/31/03/70/833310370.db2.gz GICXLSYCBQFNPZ-NSHDSACASA-N 2 0 343.428 -0.316 20 0 EBADRP O=C(NCC[NH2+]CCN1C(=O)CCC1=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127261372 828270492 /nfs/dbraw/zinc/27/04/92/828270492.db2.gz ITTRSUAFJLOTEN-ZIAGYGMSSA-N 2 0 336.436 -0.284 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)n(C)n1 ZINC001127466625 828296390 /nfs/dbraw/zinc/29/63/90/828296390.db2.gz VLWFEVUIKOMTEZ-CQSZACIVSA-N 2 0 348.451 -0.285 20 0 EBADRP CCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127481923 828298082 /nfs/dbraw/zinc/29/80/82/828298082.db2.gz ZJHZRWAHMACFHG-CQSZACIVSA-N 2 0 331.482 -0.141 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)CC[N@@H+]1C ZINC001127639230 828309999 /nfs/dbraw/zinc/30/99/99/828309999.db2.gz WRFOXYZKZGWYEB-CHWSQXEVSA-N 2 0 332.470 -0.932 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)CC[N@@H+]1C ZINC001127706567 828316729 /nfs/dbraw/zinc/31/67/29/828316729.db2.gz NKENTBRBFZWAAN-QLFBSQMISA-N 2 0 340.468 -0.425 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CCOCCNC(C)=O)CC[N@@H+]1C ZINC001127701302 828317016 /nfs/dbraw/zinc/31/70/16/828317016.db2.gz NJQNOWKUSNIQME-LSDHHAIUSA-N 2 0 328.457 -0.425 20 0 EBADRP O=C(NCC[NH2+]CCCN1CCCC1=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127766348 828321780 /nfs/dbraw/zinc/32/17/80/828321780.db2.gz VFKRDSWHSYVRQY-GJZGRUSLSA-N 2 0 338.452 -0.432 20 0 EBADRP CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779270 828328446 /nfs/dbraw/zinc/32/84/46/828328446.db2.gz KKMWJZYIBJNJIS-GJZGRUSLSA-N 2 0 338.452 -0.576 20 0 EBADRP Cc1noc(CCC[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001127779552 828328552 /nfs/dbraw/zinc/32/85/52/828328552.db2.gz NUOQTIYJDSGICD-KGLIPLIRSA-N 2 0 337.424 -0.120 20 0 EBADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001184432895 833330166 /nfs/dbraw/zinc/33/01/66/833330166.db2.gz ANNYWWHKEQCUQL-VXSWHIBVSA-N 2 0 339.436 -0.953 20 0 EBADRP Cc1c(C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)ccc2c[nH+]cn21 ZINC001130658520 828908393 /nfs/dbraw/zinc/90/83/93/828908393.db2.gz BRRZAMMZVGVYBD-VIFPVBQESA-N 2 0 332.364 -0.454 20 0 EBADRP Cc1c(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)ccc2c[nH+]cn21 ZINC001130658766 828908411 /nfs/dbraw/zinc/90/84/11/828908411.db2.gz NPRSNSXZFMBCTH-UHFFFAOYSA-N 2 0 344.375 -0.486 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+][C@@H]2CCNC2=O)c1 ZINC001130670312 828910454 /nfs/dbraw/zinc/91/04/54/828910454.db2.gz WYLQUBGGVUWXEQ-GZBFAFLISA-N 2 0 348.451 -0.856 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001130713428 828920655 /nfs/dbraw/zinc/92/06/55/828920655.db2.gz NPXQWGBVWNKWJG-ZDUSSCGKSA-N 2 0 339.440 -0.636 20 0 EBADRP COCCC1(C(=O)N(CCCC[NH3+])C(N)=[NH2+])CCS(=O)(=O)CC1 ZINC001184560000 833333677 /nfs/dbraw/zinc/33/36/77/833333677.db2.gz PZGNITWOIHRUQB-UHFFFAOYSA-N 2 0 348.469 -0.321 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001184962070 833344113 /nfs/dbraw/zinc/34/41/13/833344113.db2.gz NTSUYLXKBKIJDE-PMPSAXMXSA-N 2 0 335.452 -0.081 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)c2ccn3c[nH+]cc3c2)CCO1 ZINC001130874797 828985819 /nfs/dbraw/zinc/98/58/19/828985819.db2.gz OAOHDPGXXZYUAQ-CYBMUJFWSA-N 2 0 345.403 -0.099 20 0 EBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001185072202 833346374 /nfs/dbraw/zinc/34/63/74/833346374.db2.gz FFMIKBQHEBPBOR-QWHCGFSZSA-N 2 0 338.456 -0.366 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001185159190 833348270 /nfs/dbraw/zinc/34/82/70/833348270.db2.gz YJUKRELJHQJFEB-RWMBFGLXSA-N 2 0 339.440 -0.637 20 0 EBADRP Cn1cncc1[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CC(N)=O ZINC001131055858 829034196 /nfs/dbraw/zinc/03/41/96/829034196.db2.gz PQLXQOOQYQEYLC-CHWSQXEVSA-N 2 0 348.451 -0.869 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001185229920 833350727 /nfs/dbraw/zinc/35/07/27/833350727.db2.gz JBZDLLPESQSBCD-ZIAGYGMSSA-N 2 0 343.493 -0.047 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001185248403 833351266 /nfs/dbraw/zinc/35/12/66/833351266.db2.gz DZESGJCXDPDMSU-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP CN1CC[C@@H]([NH2+]CCNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1=O ZINC001131196826 829069441 /nfs/dbraw/zinc/06/94/41/829069441.db2.gz ZRPCSMJAQSVDEP-CQSZACIVSA-N 2 0 328.376 -0.183 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001185408682 833357903 /nfs/dbraw/zinc/35/79/03/833357903.db2.gz VUBSMBBJOSYEOP-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001185401542 833357944 /nfs/dbraw/zinc/35/79/44/833357944.db2.gz SAHPFCIUUOJBNQ-UONOGXRCSA-N 2 0 326.441 -0.719 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185401920 833358080 /nfs/dbraw/zinc/35/80/80/833358080.db2.gz YYGDCUISIXYIJK-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001185415693 833358356 /nfs/dbraw/zinc/35/83/56/833358356.db2.gz FAAJLGIZWZVEIF-UONOGXRCSA-N 2 0 346.497 -0.590 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001185650057 833364971 /nfs/dbraw/zinc/36/49/71/833364971.db2.gz BFIUMVGGZMHMRA-GDBMZVCRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)c2ccc3c[nH+]cn3c2)CCO1 ZINC001131374934 829119015 /nfs/dbraw/zinc/11/90/15/829119015.db2.gz OMVOKBQDRUYSML-ZDUSSCGKSA-N 2 0 345.403 -0.099 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCOCCNC(C)=O)C1)[NH+](C)C ZINC001185715695 833367765 /nfs/dbraw/zinc/36/77/65/833367765.db2.gz JKNDHMLFRPFHDH-CABCVRRESA-N 2 0 328.457 -0.330 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1)[NH+](C)C ZINC001185715692 833367968 /nfs/dbraw/zinc/36/79/68/833367968.db2.gz JEYMBBXQYZESAP-ZNMIVQPWSA-N 2 0 340.468 -0.330 20 0 EBADRP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519900 829152285 /nfs/dbraw/zinc/15/22/85/829152285.db2.gz NBAKFZZQWPCQLR-ZBUZPQQSSA-N 2 0 338.452 -0.530 20 0 EBADRP C[N@H+](CC(=O)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)CC(C)(C)C ZINC001185724246 833368268 /nfs/dbraw/zinc/36/82/68/833368268.db2.gz WERWTWKTDBPGBR-OLZOCXBDSA-N 2 0 338.452 -0.040 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)NCC1CC1 ZINC001131519863 829152787 /nfs/dbraw/zinc/15/27/87/829152787.db2.gz LPTWOUXMZYYXGG-UUCFBXCCSA-N 2 0 336.436 -0.918 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)Nc1ccon1 ZINC001131522018 829154643 /nfs/dbraw/zinc/15/46/43/829154643.db2.gz PNAJACSEIVTFIH-BGMSHATGSA-N 2 0 349.391 -0.818 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001185742521 833369188 /nfs/dbraw/zinc/36/91/88/833369188.db2.gz MGIPAZMXGCEVID-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@]2(CC[N@H+](CCCO)C2)O1 ZINC001131692520 829187497 /nfs/dbraw/zinc/18/74/97/829187497.db2.gz IDAGCXAWGOAXQW-DOTOQJQBSA-N 2 0 343.468 -0.361 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C(=O)NC(N)=O ZINC001131790318 829217899 /nfs/dbraw/zinc/21/78/99/829217899.db2.gz LHGABWCPBCXDAS-ZYHUDNBSSA-N 2 0 325.413 -0.850 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790268 829218313 /nfs/dbraw/zinc/21/83/13/829218313.db2.gz KGRUFSPFXBNRGX-ZDUSSCGKSA-N 2 0 325.413 -0.978 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1)C(=O)NC(N)=O ZINC001131845299 829245032 /nfs/dbraw/zinc/24/50/32/829245032.db2.gz WHEIUYLEODZJHD-LLVKDONJSA-N 2 0 327.429 -0.460 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001186082540 833388066 /nfs/dbraw/zinc/38/80/66/833388066.db2.gz KDLRKWUJQWUDJY-OLZOCXBDSA-N 2 0 339.440 -0.365 20 0 EBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001186616464 833408948 /nfs/dbraw/zinc/40/89/48/833408948.db2.gz SMXFUSPPSVWAMR-CYBMUJFWSA-N 2 0 326.441 -0.576 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001132736475 829512024 /nfs/dbraw/zinc/51/20/24/829512024.db2.gz ASHMWCIESCFZSD-CQSZACIVSA-N 2 0 325.457 -0.161 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001132848187 829533063 /nfs/dbraw/zinc/53/30/63/829533063.db2.gz ANVKZERZIHYQMV-ZIAGYGMSSA-N 2 0 336.440 -0.420 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001132848184 829533271 /nfs/dbraw/zinc/53/32/71/829533271.db2.gz ANVKZERZIHYQMV-KBPBESRZSA-N 2 0 336.440 -0.420 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001132848963 829535515 /nfs/dbraw/zinc/53/55/15/829535515.db2.gz XLARELMHETYVSD-KGLIPLIRSA-N 2 0 347.481 -0.764 20 0 EBADRP CCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132849041 829535683 /nfs/dbraw/zinc/53/56/83/829535683.db2.gz ZPAZHCBVWBBSIA-CQSZACIVSA-N 2 0 349.497 -0.374 20 0 EBADRP CC(C)COC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132853331 829537955 /nfs/dbraw/zinc/53/79/55/829537955.db2.gz ZLRJNGVRTBZPSH-JKSUJKDBSA-N 2 0 345.484 -0.165 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001132859087 829539040 /nfs/dbraw/zinc/53/90/40/829539040.db2.gz VHTUKXJLOSSPNJ-CQSZACIVSA-N 2 0 326.441 -0.672 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886849 829544840 /nfs/dbraw/zinc/54/48/40/829544840.db2.gz UPONVGUKEYAHCQ-KBPBESRZSA-N 2 0 328.457 -0.425 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)CC[N@@H+]1C ZINC001132886112 829545133 /nfs/dbraw/zinc/54/51/33/829545133.db2.gz COFFPKOVWWEPSM-RYUDHWBXSA-N 2 0 339.440 -0.589 20 0 EBADRP C[NH+](C)Cc1ccoc1C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001132985934 829567751 /nfs/dbraw/zinc/56/77/51/829567751.db2.gz XDOIZRHVDMXRNB-CQSZACIVSA-N 2 0 335.408 -0.082 20 0 EBADRP CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132994918 829568412 /nfs/dbraw/zinc/56/84/12/829568412.db2.gz FWFHJHXUBFYZCX-UHFFFAOYSA-N 2 0 342.484 -0.035 20 0 EBADRP C[NH+](C)CCCC(=O)NCC[NH2+]CC(=O)N1CCOC[C@H]1C1CC1 ZINC001133040499 829577861 /nfs/dbraw/zinc/57/78/61/829577861.db2.gz UBIKPCGJUQATMJ-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133051918 829578900 /nfs/dbraw/zinc/57/89/00/829578900.db2.gz UZJKMZHVOCIQBS-AWEZNQCLSA-N 2 0 330.473 -0.035 20 0 EBADRP C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001133091522 829582379 /nfs/dbraw/zinc/58/23/79/829582379.db2.gz RXQYPCJKITULOA-ZIAGYGMSSA-N 2 0 348.513 -0.439 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133285948 829615142 /nfs/dbraw/zinc/61/51/42/829615142.db2.gz PMGAMHYQUDBCNA-ZDUSSCGKSA-N 2 0 328.457 -0.425 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001186834871 833432927 /nfs/dbraw/zinc/43/29/27/833432927.db2.gz UOVVSFWACYBBEM-CYBMUJFWSA-N 2 0 339.440 -0.539 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+]CCN1CCCS1(=O)=O)[NH+](CC)CC ZINC001133683989 829661040 /nfs/dbraw/zinc/66/10/40/829661040.db2.gz BGIJFWUSQLIJJJ-AWEZNQCLSA-N 2 0 348.513 -0.152 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133833923 829680676 /nfs/dbraw/zinc/68/06/76/829680676.db2.gz JPKPLHPEPZRICF-LBPRGKRZSA-N 2 0 327.429 -0.588 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001133834378 829682221 /nfs/dbraw/zinc/68/22/21/829682221.db2.gz VXBISGXDKHLXFV-GJZGRUSLSA-N 2 0 343.468 -0.267 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC001133849921 829687473 /nfs/dbraw/zinc/68/74/73/829687473.db2.gz HIXPRDFTOXLQEV-DZGCQCFKSA-N 2 0 348.451 -0.427 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001133864156 829689395 /nfs/dbraw/zinc/68/93/95/829689395.db2.gz WAIFCWFDVLPMOQ-CHWSQXEVSA-N 2 0 337.472 -0.126 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001133867456 829689505 /nfs/dbraw/zinc/68/95/05/829689505.db2.gz VCFZKLRVMSGRJL-NEPJUHHUSA-N 2 0 339.440 -0.780 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133869125 829690506 /nfs/dbraw/zinc/69/05/06/829690506.db2.gz BIDPNCPPBUNWAF-NEPJUHHUSA-N 2 0 327.429 -0.874 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)s1 ZINC001133870682 829691574 /nfs/dbraw/zinc/69/15/74/829691574.db2.gz VGKKJEIRHSMJRH-ONGXEEELSA-N 2 0 340.453 -0.311 20 0 EBADRP COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133896724 829695563 /nfs/dbraw/zinc/69/55/63/829695563.db2.gz QLMNTYWNSMCHMQ-CABCVRRESA-N 2 0 345.484 -0.164 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133899792 829696181 /nfs/dbraw/zinc/69/61/81/829696181.db2.gz XFIVBSXUHBKGOZ-UHFFFAOYSA-N 2 0 343.472 -0.094 20 0 EBADRP CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C ZINC001133968036 829708142 /nfs/dbraw/zinc/70/81/42/829708142.db2.gz LJBJMPCAPRJVPK-ZDUSSCGKSA-N 2 0 343.472 -0.983 20 0 EBADRP C[C@H](COCC(=O)NCC[NH2+][C@H](C)C(=O)N(C)C)[NH+]1CCCC1 ZINC001134020436 829713212 /nfs/dbraw/zinc/71/32/12/829713212.db2.gz AQBJPMRNCKWMHO-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP C[N@@H+]1C[C@H](C(=O)NCC[NH2+][C@@H]2CCNC2=O)[C@@H](c2ccccc2)C1 ZINC001134126565 829729348 /nfs/dbraw/zinc/72/93/48/829729348.db2.gz XWFUCFSJPGLJEK-OWCLPIDISA-N 2 0 330.432 -0.074 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134611727 829804219 /nfs/dbraw/zinc/80/42/19/829804219.db2.gz AWTQRIYPBAHNHB-NWDGAFQWSA-N 2 0 341.456 -0.201 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001134763050 829841799 /nfs/dbraw/zinc/84/17/99/829841799.db2.gz KDTCFRRGIWTEGK-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134774268 829843908 /nfs/dbraw/zinc/84/39/08/829843908.db2.gz WZQRUOSPZSEUSW-MNOVXSKESA-N 2 0 329.445 -0.216 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780812 829845298 /nfs/dbraw/zinc/84/52/98/829845298.db2.gz XHGYWCYLKYHPCO-UHFFFAOYSA-N 2 0 341.456 -0.340 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CC(=O)N1CCOCC1)NC(=O)CC[NH+](C)C ZINC001135372911 829955503 /nfs/dbraw/zinc/95/55/03/829955503.db2.gz UFNCNFHKPUOXAJ-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)CC[NH+](C)C ZINC001135373630 829956485 /nfs/dbraw/zinc/95/64/85/829956485.db2.gz XPSFDFLRXQNMRM-NWDGAFQWSA-N 2 0 341.456 -0.201 20 0 EBADRP CC1CC[NH+](CC(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001135688419 830008858 /nfs/dbraw/zinc/00/88/58/830008858.db2.gz PHXUIIZZUBTJBM-AWEZNQCLSA-N 2 0 331.482 -0.141 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135688362 830009223 /nfs/dbraw/zinc/00/92/23/830009223.db2.gz NENOQNFMIFAQMB-UHFFFAOYSA-N 2 0 328.457 -0.423 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135688509 830009317 /nfs/dbraw/zinc/00/93/17/830009317.db2.gz UAZGEOKHLXEJBE-UHFFFAOYSA-N 2 0 348.513 -0.247 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135710111 830014168 /nfs/dbraw/zinc/01/41/68/830014168.db2.gz UEKMHCYUAJYXMZ-OAHLLOKOSA-N 2 0 342.484 -0.035 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CC(=O)N1CCC1)NC(=O)COCC[NH+](C)C ZINC001135923007 830046821 /nfs/dbraw/zinc/04/68/21/830046821.db2.gz FKBRSIKGHWJVRC-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP CCCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135924700 830048075 /nfs/dbraw/zinc/04/80/75/830048075.db2.gz VPXQKONRAWVPQJ-ZIAGYGMSSA-N 2 0 330.473 -0.036 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)[NH2+]CCS(C)(=O)=O ZINC001135939415 830048502 /nfs/dbraw/zinc/04/85/02/830048502.db2.gz ZWFOGCLKDMITQH-OLZOCXBDSA-N 2 0 331.482 0.000 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]CC(=O)Nc2ccon2)CC1 ZINC001135963627 830052640 /nfs/dbraw/zinc/05/26/40/830052640.db2.gz WPXIAQWRVHNVCH-UHFFFAOYSA-N 2 0 339.396 -0.570 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]CCCO[C@H]2CCOC2)CC1 ZINC001135963354 830053226 /nfs/dbraw/zinc/05/32/26/830053226.db2.gz HPFPNFDRMVRDDZ-INIZCTEOSA-N 2 0 343.468 -0.001 20 0 EBADRP COC(=O)c1cnc(CN2CCC(=O)N(CC[NH+](C)C)CC2)cn1 ZINC001141830172 830115946 /nfs/dbraw/zinc/11/59/46/830115946.db2.gz AASORSFUHAFVRV-UHFFFAOYSA-N 2 0 335.408 -0.141 20 0 EBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)CC[NH+]2CCN(C)CC2)O1 ZINC001143237883 830146415 /nfs/dbraw/zinc/14/64/15/830146415.db2.gz VAQDJQDNEGVWCN-IIAWOOMASA-N 2 0 328.457 -0.535 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146340739 830193855 /nfs/dbraw/zinc/19/38/55/830193855.db2.gz SBZNBIJQVLIZOA-NWDGAFQWSA-N 2 0 327.429 -0.589 20 0 EBADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211369950 837432349 /nfs/dbraw/zinc/43/23/49/837432349.db2.gz VPNPEBXHIPVHQE-BZUAXINKSA-N 2 0 345.484 -0.213 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146590952 830212060 /nfs/dbraw/zinc/21/20/60/830212060.db2.gz DXHFWXOTCYIFAY-NWDGAFQWSA-N 2 0 329.445 -0.345 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CC[NH+]1CCCCC1 ZINC001146613173 830212878 /nfs/dbraw/zinc/21/28/78/830212878.db2.gz ROKBZRMLZHUDHP-STQMWFEESA-N 2 0 341.456 -0.070 20 0 EBADRP CCC[NH+](CCC)CCCC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001147449334 830344936 /nfs/dbraw/zinc/34/49/36/830344936.db2.gz OHLMWYCSQRAVJT-UHFFFAOYSA-N 2 0 329.445 -0.211 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC(=O)N1CCCCCC1 ZINC001147842289 830418750 /nfs/dbraw/zinc/41/87/50/830418750.db2.gz PXMUMLRIXWSKFF-UHFFFAOYSA-N 2 0 328.457 -0.327 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C)on1 ZINC001147842282 830418772 /nfs/dbraw/zinc/41/87/72/830418772.db2.gz PKKZKZSPOWCEPG-UHFFFAOYSA-N 2 0 327.385 -0.794 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001147886602 830425951 /nfs/dbraw/zinc/42/59/51/830425951.db2.gz YMVGAEHUZUCCRI-LLVKDONJSA-N 2 0 325.413 -0.978 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001147884908 830426287 /nfs/dbraw/zinc/42/62/87/830426287.db2.gz HUWUXBCSSKFWHR-KBPBESRZSA-N 2 0 326.441 -0.983 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C[C@H]2CC[N@H+](C)C2)CCO1 ZINC001147892948 830427096 /nfs/dbraw/zinc/42/70/96/830427096.db2.gz MAGAMJIDBZFYBV-ZIAGYGMSSA-N 2 0 326.441 -0.719 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001147891528 830427135 /nfs/dbraw/zinc/42/71/35/830427135.db2.gz BGGSXTPCUIRNLN-LBPRGKRZSA-N 2 0 341.456 -0.342 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C(=O)NC1CCCC1 ZINC001147892434 830427204 /nfs/dbraw/zinc/42/72/04/830427204.db2.gz IDRRHHPIMIGDHV-ZDUSSCGKSA-N 2 0 328.457 -0.282 20 0 EBADRP O=C(NCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1)C12CC[NH+](CC1)C2 ZINC001147977355 830434492 /nfs/dbraw/zinc/43/44/92/830434492.db2.gz PMZMCCCYAXKRIZ-ZDUSSCGKSA-N 2 0 329.466 -0.387 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977690 830434504 /nfs/dbraw/zinc/43/45/04/830434504.db2.gz VZTUJBCDIDRRNG-UHFFFAOYSA-N 2 0 332.470 -0.883 20 0 EBADRP Cc1n[nH]c(C)c1NC(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001148001043 830436301 /nfs/dbraw/zinc/43/63/01/830436301.db2.gz XKMXECWFCHMDGV-UHFFFAOYSA-N 2 0 334.424 -0.233 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001148051813 830443799 /nfs/dbraw/zinc/44/37/99/830443799.db2.gz WVKVDYHYBRNBOP-CYBMUJFWSA-N 2 0 349.435 -0.238 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001148058260 830445502 /nfs/dbraw/zinc/44/55/02/830445502.db2.gz VEZFJWKPRMHNGU-UHFFFAOYSA-N 2 0 328.438 -0.098 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148174775 830452760 /nfs/dbraw/zinc/45/27/60/830452760.db2.gz UUJAAZSRFJMKCP-LBPRGKRZSA-N 2 0 339.440 -0.554 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148216766 830457588 /nfs/dbraw/zinc/45/75/88/830457588.db2.gz RPWYVVOWGYHLSB-LLVKDONJSA-N 2 0 325.413 -0.944 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC[N@H+](C)CCC ZINC001148571102 830510258 /nfs/dbraw/zinc/51/02/58/830510258.db2.gz WGDUQSMXJHYAOX-UHFFFAOYSA-N 2 0 329.445 -0.340 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@H](C)C(=O)NCCCOC ZINC001148578463 830511493 /nfs/dbraw/zinc/51/14/93/830511493.db2.gz UFXJXYSJYJROFP-CQSZACIVSA-N 2 0 330.473 -0.035 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]C[C@@H](O)CO[C@@H](C)COC ZINC001148572670 830511881 /nfs/dbraw/zinc/51/18/81/830511881.db2.gz IRCUMEIKWNSFAW-LSDHHAIUSA-N 2 0 333.473 -0.164 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC2(C1)CC[N@@H+]([C@@H]1CCCNC1=O)C2 ZINC001148604541 830515490 /nfs/dbraw/zinc/51/54/90/830515490.db2.gz IEWTYSYLCMVOSE-CQSZACIVSA-N 2 0 338.452 -0.623 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC3(C2)CC[NH+](CCOCCO)C3)C1 ZINC001148604943 830516043 /nfs/dbraw/zinc/51/60/43/830516043.db2.gz KVDGEYIPVWSRPM-HNNXBMFYSA-N 2 0 325.453 -0.129 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001148654871 830524132 /nfs/dbraw/zinc/52/41/32/830524132.db2.gz CSCPBUAIKGYMAI-UHFFFAOYSA-N 2 0 327.429 -0.636 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C ZINC001148655123 830525069 /nfs/dbraw/zinc/52/50/69/830525069.db2.gz IDNOTNWDBBWZCF-LBPRGKRZSA-N 2 0 329.445 -0.343 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](C[C@@H](O)COC)CCCO1 ZINC001149937505 830786758 /nfs/dbraw/zinc/78/67/58/830786758.db2.gz TXEIZEGMQCEXLK-HUUCEWRRSA-N 2 0 345.484 -0.069 20 0 EBADRP CN1CCC[C@H]([N@@H+]2CCCO[C@@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001150240063 830845043 /nfs/dbraw/zinc/84/50/43/830845043.db2.gz AXUREIYJOIEWOC-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP COC[C@H](C)[N@@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150587752 830938446 /nfs/dbraw/zinc/93/84/46/830938446.db2.gz JPBHQFARCLTWET-LSDHHAIUSA-N 2 0 331.457 -0.193 20 0 EBADRP COCCC[N@@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150587136 830939159 /nfs/dbraw/zinc/93/91/59/830939159.db2.gz FFHRLKBSRQUJQH-OAHLLOKOSA-N 2 0 331.457 -0.192 20 0 EBADRP C[NH+](C)CCCCC(=O)NC[C@H]1C[N@H+](CCOCCO)CCCO1 ZINC001150607516 830943861 /nfs/dbraw/zinc/94/38/61/830943861.db2.gz UYLYQJWTEIVFJZ-INIZCTEOSA-N 2 0 345.484 -0.066 20 0 EBADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCOCCO)CCCO1 ZINC001150624560 830947930 /nfs/dbraw/zinc/94/79/30/830947930.db2.gz BIZDYLUEGFOFLN-MRXNPFEDSA-N 2 0 345.484 -0.066 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[NH+](CCOCCO)CCCO2)C1 ZINC001150699076 830963744 /nfs/dbraw/zinc/96/37/44/830963744.db2.gz FGVXTEQWDROTJO-GJZGRUSLSA-N 2 0 329.441 -0.846 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@H+](CCCO)CCCO1 ZINC001150725004 830971431 /nfs/dbraw/zinc/97/14/31/830971431.db2.gz SUDZLVDLVQMBKQ-HOTGVXAUSA-N 2 0 343.468 -0.456 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150779233 830983159 /nfs/dbraw/zinc/98/31/59/830983159.db2.gz QKTGTRYOSOILKF-LSDHHAIUSA-N 2 0 331.457 -0.459 20 0 EBADRP COc1cccc(CNC(=O)C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001151066108 831020847 /nfs/dbraw/zinc/02/08/47/831020847.db2.gz QFCMBDQPKCELBA-OAHLLOKOSA-N 2 0 348.447 -0.031 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(=O)NC1CC1 ZINC001151073920 831022841 /nfs/dbraw/zinc/02/28/41/831022841.db2.gz SNJZANXKEOFSPS-GHMZBOCLSA-N 2 0 325.413 -0.979 20 0 EBADRP COCCS(=O)(=O)CCC[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151100453 831026424 /nfs/dbraw/zinc/02/64/24/831026424.db2.gz DUHVWZNXUJRYQR-UHFFFAOYSA-N 2 0 335.470 -0.761 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001151152486 831031851 /nfs/dbraw/zinc/03/18/51/831031851.db2.gz UTALXOMXHACTME-ZDUSSCGKSA-N 2 0 328.457 -0.425 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC001151156425 831032963 /nfs/dbraw/zinc/03/29/63/831032963.db2.gz CHYXLSBWKGCPFY-KGLIPLIRSA-N 2 0 342.484 -0.036 20 0 EBADRP CCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151159390 831036101 /nfs/dbraw/zinc/03/61/01/831036101.db2.gz SROFXENEIZWWKF-CQSZACIVSA-N 2 0 349.497 -0.515 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001151160675 831036249 /nfs/dbraw/zinc/03/62/49/831036249.db2.gz XNFLFGCPPYKYTI-CABCVRRESA-N 2 0 340.468 -0.423 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001151160636 831036888 /nfs/dbraw/zinc/03/68/88/831036888.db2.gz WXBCLUTVSPLAEQ-STQMWFEESA-N 2 0 326.441 -0.672 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152145897 831134126 /nfs/dbraw/zinc/13/41/26/831134126.db2.gz FXCTXGOEDJRQLJ-KBPBESRZSA-N 2 0 328.457 -0.282 20 0 EBADRP COCCS(=O)(=O)CCC[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152433021 831162942 /nfs/dbraw/zinc/16/29/42/831162942.db2.gz QUBFPASLQHAPLS-UHFFFAOYSA-N 2 0 337.486 -0.516 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC001152444868 831163180 /nfs/dbraw/zinc/16/31/80/831163180.db2.gz ANPCTTJWRDHPNO-KBPBESRZSA-N 2 0 328.457 -0.332 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001152451642 831164242 /nfs/dbraw/zinc/16/42/42/831164242.db2.gz BUQSYSBKGCJAMW-CYBMUJFWSA-N 2 0 341.456 -0.198 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001152451757 831164498 /nfs/dbraw/zinc/16/44/98/831164498.db2.gz GIVJFTWCYCDMAP-AWEZNQCLSA-N 2 0 326.441 -0.575 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)[NH+]1CCCC1 ZINC001152464507 831165608 /nfs/dbraw/zinc/16/56/08/831165608.db2.gz RYVKOUDVJLXOBE-AWEZNQCLSA-N 2 0 339.440 -0.636 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])c1ccc(OCC2CC[NH2+]CC2)nn1 ZINC001154771169 831362160 /nfs/dbraw/zinc/36/21/60/831362160.db2.gz SQGSQZNPJVVKJJ-UHFFFAOYSA-N 2 0 329.426 -0.420 20 0 EBADRP CC[N@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001154836550 831366498 /nfs/dbraw/zinc/36/64/98/831366498.db2.gz DWEWMUUZMVMUIH-OAGGEKHMSA-N 2 0 345.484 -0.071 20 0 EBADRP CC[N@H+](CCOCCO)[C@H](C)CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001154838118 831366678 /nfs/dbraw/zinc/36/66/78/831366678.db2.gz PUTBDRPCWYTUSO-CVEARBPZSA-N 2 0 345.484 -0.069 20 0 EBADRP CC[N@H+](CCOCCNC(C)=O)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155005170 831379867 /nfs/dbraw/zinc/37/98/67/831379867.db2.gz HOPLVYQUNIBKHS-CQSZACIVSA-N 2 0 330.473 -0.083 20 0 EBADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCN1C(=O)CNC1=O)[NH+](C)C ZINC001155289463 831398901 /nfs/dbraw/zinc/39/89/01/831398901.db2.gz UJVBCQGJVQQPNT-OLZOCXBDSA-N 2 0 341.456 -0.295 20 0 EBADRP [NH3+]CC1CN([C@H]2CCCN(c3cncc(N4CC[NH2+]CC4)n3)C2)C1 ZINC001155377562 831402548 /nfs/dbraw/zinc/40/25/48/831402548.db2.gz SBQBWURSXFXOBD-HNNXBMFYSA-N 2 0 331.468 -0.255 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001155790683 831430315 /nfs/dbraw/zinc/43/03/15/831430315.db2.gz MABIGWMASQOBIL-LBPRGKRZSA-N 2 0 325.413 -0.835 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)Nc1nncs1 ZINC001155789922 831430343 /nfs/dbraw/zinc/43/03/43/831430343.db2.gz HWIJHTSDFQKXEH-SNVBAGLBSA-N 2 0 326.426 -0.333 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001155802216 831431225 /nfs/dbraw/zinc/43/12/25/831431225.db2.gz INNOWKCQQNSJEG-GFCCVEGCSA-N 2 0 339.440 -0.493 20 0 EBADRP Cn1cc(N2CC[C@@H]([NH2+]CCCNC(=O)[C@H]3CCC[N@@H+]3C)C2=O)cn1 ZINC001155813562 831432297 /nfs/dbraw/zinc/43/22/97/831432297.db2.gz SDKXHADAXUCSJW-HUUCEWRRSA-N 2 0 348.451 -0.285 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)NC(=O)NC1CC1 ZINC001155821841 831433339 /nfs/dbraw/zinc/43/33/39/831433339.db2.gz DCNVTHFPJCASHG-AAEUAGOBSA-N 2 0 339.440 -0.447 20 0 EBADRP COCCS(=O)(=O)CCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155814519 831433424 /nfs/dbraw/zinc/43/34/24/831433424.db2.gz YWQNTYJBPCNWME-AWEZNQCLSA-N 2 0 349.497 -0.372 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001155814506 831433841 /nfs/dbraw/zinc/43/38/41/831433841.db2.gz YOOFRPBKPUBJHJ-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001157324544 831553513 /nfs/dbraw/zinc/55/35/13/831553513.db2.gz ZWUAAKYTJZFKMR-HEHGZKQESA-N 2 0 326.441 -0.495 20 0 EBADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC1 ZINC001157448814 831567430 /nfs/dbraw/zinc/56/74/30/831567430.db2.gz KTNUZQBKKSXDEG-LBPRGKRZSA-N 2 0 340.424 -0.791 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001157497912 831572366 /nfs/dbraw/zinc/57/23/66/831572366.db2.gz UTRRCGBDPSAQJP-UONOGXRCSA-N 2 0 326.441 -0.317 20 0 EBADRP [NH3+][C@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[NH2+]2)C[C@H]1F ZINC001157544467 831578509 /nfs/dbraw/zinc/57/85/09/831578509.db2.gz FGQANYVXDYOUJM-UGUYLWEFSA-N 2 0 348.422 -0.027 20 0 EBADRP O=C([C@H]1C[NH2+]C[C@@H]1O)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001157627858 831583479 /nfs/dbraw/zinc/58/34/79/831583479.db2.gz ZJZNBOCDLTZCNW-HOTGVXAUSA-N 2 0 325.453 -0.082 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1Cc2cncnc2C1 ZINC001157716144 831586989 /nfs/dbraw/zinc/58/69/89/831586989.db2.gz LFMVKCBWNKQRJU-ZFWWWQNUSA-N 2 0 346.435 -0.234 20 0 EBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+] ZINC001157720319 831587851 /nfs/dbraw/zinc/58/78/51/831587851.db2.gz GEHVFROUVILYMT-GJZGRUSLSA-N 2 0 334.420 -0.881 20 0 EBADRP C[C@@H]1[C@@H]([NH3+])CCCN1c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001157732131 831588389 /nfs/dbraw/zinc/58/83/89/831588389.db2.gz IAYKXBMTAKLUMF-PWSUYJOCSA-N 2 0 339.465 -0.116 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCc2n[nH]cc2C1 ZINC001157988319 831616024 /nfs/dbraw/zinc/61/60/24/831616024.db2.gz DOWDHJIGISJHDZ-ZFWWWQNUSA-N 2 0 348.451 -0.258 20 0 EBADRP CCOC(=O)[C@@H]1CNCCN1C(=O)[C@@H]1C[N@@H+](C(C)(C)C)CCN1 ZINC001158005945 831618561 /nfs/dbraw/zinc/61/85/61/831618561.db2.gz FTHLTPWGSGQUDA-STQMWFEESA-N 2 0 326.441 -0.578 20 0 EBADRP CCOC(=O)[C@@H]1CNCCN1C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001158008079 831618911 /nfs/dbraw/zinc/61/89/11/831618911.db2.gz YBQABRLSPGWDNH-KBPBESRZSA-N 2 0 328.457 -0.155 20 0 EBADRP O=C(NCCC[NH2+]CCN1CCNC1=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158038106 831622198 /nfs/dbraw/zinc/62/21/98/831622198.db2.gz NBAPGZDBHVXXRL-CABCVRRESA-N 2 0 337.468 -0.018 20 0 EBADRP O=C([C@@H]1CNC(=O)C12CC[NH2+]CC2)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070852 831625339 /nfs/dbraw/zinc/62/53/39/831625339.db2.gz OOXWGLJCBNPXBH-ZDUSSCGKSA-N 2 0 336.436 -0.917 20 0 EBADRP O=C([C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091523 831626940 /nfs/dbraw/zinc/62/69/40/831626940.db2.gz DSTLNYFSCOOOHP-KSSFIOAISA-N 3 0 349.479 -0.859 20 0 EBADRP C[NH2+][C@H](C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2)[C@@H](C)OC(C)(C)C ZINC001158091504 831627255 /nfs/dbraw/zinc/62/72/55/831627255.db2.gz DMEIPOOLIHMZNZ-FFSVYQOJSA-N 2 0 326.441 -0.532 20 0 EBADRP C[NH2+][C@@H](COCc1ccccc1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091517 831627272 /nfs/dbraw/zinc/62/72/72/831627272.db2.gz DPFOPGMFACBJFS-YJBOKZPZSA-N 2 0 346.431 -0.518 20 0 EBADRP O=C([C@H]1C[C@@H](C(F)(F)F)C[NH2+]1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158110679 831628961 /nfs/dbraw/zinc/62/89/61/831628961.db2.gz HUKHODLZIGTGBH-GPCCPHFNSA-N 2 0 346.353 -0.535 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])CC(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158118611 831629703 /nfs/dbraw/zinc/62/97/03/831629703.db2.gz BMGUMRWRWADHIK-PXAZEXFGSA-N 2 0 338.452 -0.543 20 0 EBADRP [NH3+][C@@H](Cc1cccc(O)c1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158118989 831629968 /nfs/dbraw/zinc/62/99/68/831629968.db2.gz FLGSJJBQFVVYPD-KBXCAEBGSA-N 2 0 344.415 -0.800 20 0 EBADRP O=C(c1ccc2c(c1)C[NH2+]C2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120604 831631029 /nfs/dbraw/zinc/63/10/29/831631029.db2.gz RGHXWOQENFDVDA-SFHVURJKSA-N 2 0 326.400 -0.159 20 0 EBADRP [NH3+]C[C@@H](C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)c1ccccc1 ZINC001158121971 831631177 /nfs/dbraw/zinc/63/11/77/831631177.db2.gz YVHLSXBYTWWDMX-RDTXWAMCSA-N 2 0 328.416 -0.333 20 0 EBADRP [NH3+][C@@H](C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1)C1CCC2(CC1)OCCO2 ZINC001158180069 831636859 /nfs/dbraw/zinc/63/68/59/831636859.db2.gz SJJBASSDJJXZSD-RBSFLKMASA-N 2 0 339.436 -0.306 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158197343 831638825 /nfs/dbraw/zinc/63/88/25/831638825.db2.gz WXNPDMYEIXJHQE-CYBMUJFWSA-N 2 0 339.440 -0.730 20 0 EBADRP CN1CC[C@H]([NH2+]CCCNC(=O)c2ccn(CC[NH+](C)C)n2)C1=O ZINC001158288150 831643613 /nfs/dbraw/zinc/64/36/13/831643613.db2.gz QMMCCBNQZZCION-AWEZNQCLSA-N 2 0 336.440 -0.615 20 0 EBADRP [NH3+]Cc1ccc(C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)cn1 ZINC001158286158 831643765 /nfs/dbraw/zinc/64/37/65/831643765.db2.gz REQMGRKIBHJZGI-UHFFFAOYSA-N 2 0 327.392 -0.134 20 0 EBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCN2C(=O)c3ccccc3[C@@H]2C1 ZINC001158319633 831645816 /nfs/dbraw/zinc/64/58/16/831645816.db2.gz KLGMMNXHDLZARP-CABCVRRESA-N 2 0 326.400 -0.165 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCOC2)CC[N@@H+]1C ZINC001158379496 831650182 /nfs/dbraw/zinc/65/01/82/831650182.db2.gz ASUBMXXBZQORMO-RBSFLKMASA-N 2 0 340.468 -0.425 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C)CC[N@@H+]1C ZINC001158380655 831650402 /nfs/dbraw/zinc/65/04/02/831650402.db2.gz SPPGAPXDUTYZFM-ZIAGYGMSSA-N 2 0 348.513 -0.296 20 0 EBADRP CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001158414626 831652182 /nfs/dbraw/zinc/65/21/82/831652182.db2.gz GXVNCLYGUSUCFY-CKEIUWERSA-N 2 0 339.436 -0.116 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158421425 831653312 /nfs/dbraw/zinc/65/33/12/831653312.db2.gz XKYBEVLDAAOWCH-VXGBXAGGSA-N 2 0 327.429 -0.732 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NCC1CC1 ZINC001158486879 831659968 /nfs/dbraw/zinc/65/99/68/831659968.db2.gz UGASJHWMMFCYFP-GJZGRUSLSA-N 2 0 338.452 -0.528 20 0 EBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158487364 831660125 /nfs/dbraw/zinc/66/01/25/831660125.db2.gz YQJXGOCMVWUQCB-UONOGXRCSA-N 2 0 326.441 -0.530 20 0 EBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158545663 831664465 /nfs/dbraw/zinc/66/44/65/831664465.db2.gz HWAQAWMPBPIKML-GMIGGYDBSA-N 2 0 336.436 -0.696 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158661690 831676264 /nfs/dbraw/zinc/67/62/64/831676264.db2.gz YZPOSMDGFPGZOR-GFCCVEGCSA-N 3 0 345.407 -0.290 20 0 EBADRP COC[C@H](O)C[N@H+](C)C[C@H]1CCCCN1C(=O)COCC[NH+](C)C ZINC001158750224 831683048 /nfs/dbraw/zinc/68/30/48/831683048.db2.gz GCCBHPIDSIXXDC-HZPDHXFCSA-N 2 0 345.484 -0.115 20 0 EBADRP CC(C)N(C(=O)[C@]1(N)CCC[NH2+]C1)c1ncnc2c1CC[NH2+]CC2 ZINC001158759022 831684188 /nfs/dbraw/zinc/68/41/88/831684188.db2.gz ICKXUZVXMQHKFW-KRWDZBQOSA-N 2 0 332.452 -0.013 20 0 EBADRP [NH3+]C[C@H](O)CC(=O)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158890706 831693767 /nfs/dbraw/zinc/69/37/67/831693767.db2.gz KWJADGCXANLXRD-OZVIIMIRSA-N 2 0 338.383 -0.216 20 0 EBADRP [NH3+][C@H]1CN[C@H](C(=O)N(c2ncccc2F)[C@H]2CO[C@]3(CC[NH2+]C3)C2)C1 ZINC001158903624 831694574 /nfs/dbraw/zinc/69/45/74/831694574.db2.gz NZGLBGQGISJKDL-ALYFQZSWSA-N 2 0 349.410 -0.236 20 0 EBADRP [NH3+][C@H]1CN[C@H](C(=O)N(c2ncccc2F)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)C1 ZINC001158903626 831694790 /nfs/dbraw/zinc/69/47/90/831694790.db2.gz NZGLBGQGISJKDL-CXUUEIJPSA-N 2 0 349.410 -0.236 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158934972 831697668 /nfs/dbraw/zinc/69/76/68/831697668.db2.gz LZSPXOYTBNBOIF-SOUVJXGZSA-N 2 0 331.420 -0.150 20 0 EBADRP [NH3+]CCC[NH2+]CC(=O)N1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158935532 831697969 /nfs/dbraw/zinc/69/79/69/831697969.db2.gz VISWCRYYXGVYQC-LSDHHAIUSA-N 2 0 331.420 -0.278 20 0 EBADRP COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)C1([NH3+])CC1 ZINC001159078188 831706579 /nfs/dbraw/zinc/70/65/79/831706579.db2.gz UXUMCWBBLWCKLG-IUODEOHRSA-N 2 0 325.409 -0.267 20 0 EBADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001159135484 831710887 /nfs/dbraw/zinc/71/08/87/831710887.db2.gz WDEZNERROJOIAN-ZQDZILKHSA-N 2 0 332.452 -0.647 20 0 EBADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001159134365 831711554 /nfs/dbraw/zinc/71/15/54/831711554.db2.gz NBXFXCVUIATPNR-ZQIUZPCESA-N 2 0 332.452 -0.645 20 0 EBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1CCCC[NH2+]1)CC2 ZINC001159189240 831716481 /nfs/dbraw/zinc/71/64/81/831716481.db2.gz BMBPRQXOAVJZNG-ZDUSSCGKSA-N 2 0 349.435 -0.007 20 0 EBADRP CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)C[NH2+]CCC[NH3+])C[C@@H]21 ZINC001159202960 831720714 /nfs/dbraw/zinc/72/07/14/831720714.db2.gz LNFPNXJQRWGJBX-MELADBBJSA-N 2 0 341.456 -0.941 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001159334710 831741550 /nfs/dbraw/zinc/74/15/50/831741550.db2.gz GAWQAISVXVULKF-CQSZACIVSA-N 2 0 325.457 -0.018 20 0 EBADRP [NH3+]C[C@@H](O)CC(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159403948 831749526 /nfs/dbraw/zinc/74/95/26/831749526.db2.gz RVCMLXOTSFJJTN-XDQVBPFNSA-N 2 0 335.408 -0.856 20 0 EBADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H]1C[NH2+]C[C@@H]1O)C2 ZINC001159482083 831756126 /nfs/dbraw/zinc/75/61/26/831756126.db2.gz YINMJTSBAJFDPM-XLMAVXFVSA-N 2 0 337.464 -0.226 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1Cc2ccnn2C[C@@H](C(=O)N2CCCC2)C1 ZINC001159494007 831756490 /nfs/dbraw/zinc/75/64/90/831756490.db2.gz SKKWMOKSQRRIEV-ZFWWWQNUSA-N 2 0 348.451 -0.470 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001159532522 831758890 /nfs/dbraw/zinc/75/88/90/831758890.db2.gz FCPPDIODDWQLLA-OKZBNKHCSA-N 2 0 346.475 -0.059 20 0 EBADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H](N)C[NH3+])CC[C@@H]21 ZINC001159534828 831759422 /nfs/dbraw/zinc/75/94/22/831759422.db2.gz RJTTYHSPTQQPMG-UGUYLWEFSA-N 2 0 334.468 -0.131 20 0 EBADRP O=C([C@H]1C[NH2+]C[C@H]1O)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159559928 831761280 /nfs/dbraw/zinc/76/12/80/831761280.db2.gz FJHPHXWSKQQGAZ-XJKSGUPXSA-N 2 0 333.436 -0.162 20 0 EBADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159559926 831761332 /nfs/dbraw/zinc/76/13/32/831761332.db2.gz FJHPHXWSKQQGAZ-CJNGLKHVSA-N 2 0 333.436 -0.162 20 0 EBADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159559965 831762123 /nfs/dbraw/zinc/76/21/23/831762123.db2.gz GIXDKKPKRFUPCX-HOTGVXAUSA-N 2 0 333.436 -0.020 20 0 EBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]([NH3+])COC(C)=O)CC[C@@H]2C1 ZINC001159635507 831768150 /nfs/dbraw/zinc/76/81/50/831768150.db2.gz OHMMHRNWNXTJNV-QLFBSQMISA-N 2 0 343.424 -0.928 20 0 EBADRP [NH3+]CCCNCC(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159668018 831771402 /nfs/dbraw/zinc/77/14/02/831771402.db2.gz WJHAWMSHUZWDJW-IAGOWNOFSA-N 2 0 347.463 -0.178 20 0 EBADRP N[C@@H](CC[NH3+])C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159667852 831772071 /nfs/dbraw/zinc/77/20/71/831772071.db2.gz VKQCCWHGXBRYEV-JYJNAYRXSA-N 2 0 333.436 -0.441 20 0 EBADRP O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@@H](CCN2C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)O1 ZINC001159769847 831781427 /nfs/dbraw/zinc/78/14/27/831781427.db2.gz PLHPSOSOJBUTLC-TUVASFSCSA-N 2 0 348.447 -0.920 20 0 EBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001159837842 831786810 /nfs/dbraw/zinc/78/68/10/831786810.db2.gz GYCOYPCYFMZIAU-ZDUSSCGKSA-N 2 0 338.456 -0.318 20 0 EBADRP COC[C@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159854642 831788547 /nfs/dbraw/zinc/78/85/47/831788547.db2.gz PGFODSZIZJZASL-LSDHHAIUSA-N 2 0 345.484 -0.021 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001159861712 831788573 /nfs/dbraw/zinc/78/85/73/831788573.db2.gz QGJPYOCPGVTGAZ-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159915794 831796811 /nfs/dbraw/zinc/79/68/11/831796811.db2.gz NWVDDUWMANAKNG-CQSZACIVSA-N 2 0 341.456 -0.342 20 0 EBADRP O=C(NCc1ccco1)C12CC(C1)CN2C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001159930856 831799137 /nfs/dbraw/zinc/79/91/37/831799137.db2.gz YDGGKMRNBJDCHC-FHBSJOOWSA-N 2 0 344.415 -0.304 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159932459 831799792 /nfs/dbraw/zinc/79/97/92/831799792.db2.gz RSFGBLKCZXLPFT-PWSUYJOCSA-N 2 0 327.429 -0.733 20 0 EBADRP COC[C@@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159997312 831804804 /nfs/dbraw/zinc/80/48/04/831804804.db2.gz LLKKYYMBPMNTKW-ZBFHGGJFSA-N 2 0 345.484 -0.021 20 0 EBADRP [NH3+][C@@H]1CN[C@H](C(=O)N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)C1 ZINC001160138754 831819021 /nfs/dbraw/zinc/81/90/21/831819021.db2.gz PEHITMNIAIZFLF-JGFGOLAASA-N 2 0 345.447 -0.129 20 0 EBADRP CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)CCO2 ZINC001160178227 831821812 /nfs/dbraw/zinc/82/18/12/831821812.db2.gz GNVBMEHXUUXORF-WMLDXEAASA-N 2 0 336.436 -0.965 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001160274162 831830897 /nfs/dbraw/zinc/83/08/97/831830897.db2.gz PQURMCUZBGGEHV-AWEZNQCLSA-N 2 0 325.457 -0.018 20 0 EBADRP COCCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C1CC[NH+](C)CC1 ZINC001160439011 831851071 /nfs/dbraw/zinc/85/10/71/831851071.db2.gz FPHYLNJWHDWVGL-CYBMUJFWSA-N 2 0 329.445 -0.669 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160584743 831866624 /nfs/dbraw/zinc/86/66/24/831866624.db2.gz FQLGYDOHASUVNF-CYBMUJFWSA-N 3 0 331.420 -0.091 20 0 EBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC001160611808 831871463 /nfs/dbraw/zinc/87/14/63/831871463.db2.gz WIJGEDKVUKIYNF-HUUCEWRRSA-N 2 0 349.456 -0.130 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001160630347 831871869 /nfs/dbraw/zinc/87/18/69/831871869.db2.gz XJWCSVJRVFFAPK-WBVHZDCISA-N 3 0 325.501 -0.330 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001160628240 831872314 /nfs/dbraw/zinc/87/23/14/831872314.db2.gz ASCDDVPRJOYATH-INMHGKMJSA-N 3 0 325.501 -0.060 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001160629254 831872352 /nfs/dbraw/zinc/87/23/52/831872352.db2.gz LMMBRPDFFQRFDA-CQSZACIVSA-N 2 0 344.504 -0.506 20 0 EBADRP COC(=O)[C@@]1(C)CCCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001160635234 831872926 /nfs/dbraw/zinc/87/29/26/831872926.db2.gz HZGSFDOLWICSSR-CJNGLKHVSA-N 2 0 326.441 -0.462 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2C[NH2+]C[C@]23C(=O)Nc2ccccc23)CCO1 ZINC001160644161 831875442 /nfs/dbraw/zinc/87/54/42/831875442.db2.gz VEEULWRGRICMSL-XTQGRXLLSA-N 2 0 330.388 -0.718 20 0 EBADRP [NH3+][C@@H]1CCN(C(=O)c2ccc3c(c2)[C@H]2C[NH2+]C[C@@H]2NC3=O)C[C@@H]1F ZINC001160649398 831875876 /nfs/dbraw/zinc/87/58/76/831875876.db2.gz KCVWSOJWZPKRBR-BARDWOONSA-N 2 0 332.379 -0.003 20 0 EBADRP [NH3+]C1CCN(C(=O)c2ccc(C(=O)N3CC[C@@H]([NH3+])[C@H](O)C3)cc2)CC1 ZINC001160655082 831876738 /nfs/dbraw/zinc/87/67/38/831876738.db2.gz GBZRZFKRQIPLBI-HZPDHXFCSA-N 2 0 346.431 -0.216 20 0 EBADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CC23C[NH2+]C3)C[C@H]1O ZINC001160656575 831876959 /nfs/dbraw/zinc/87/69/59/831876959.db2.gz YZXPIUKZTUVUJJ-GVDBMIGSSA-N 2 0 344.459 -0.372 20 0 EBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N(C)CC[NH+]2CCCC2)COC1(C)C ZINC001160687888 831878425 /nfs/dbraw/zinc/87/84/25/831878425.db2.gz JZLQBDARMQSPMA-STQMWFEESA-N 2 0 326.441 -0.149 20 0 EBADRP C[N@H+]1C[C@H]2CN(C(=O)CNC(=O)[C@@H]([NH3+])Cc3ccccc3)C[C@H]2C1 ZINC001160704490 831880140 /nfs/dbraw/zinc/88/01/40/831880140.db2.gz KZVVBDBTGAVILS-XHSDSOJGSA-N 2 0 330.432 -0.307 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+]2CCC1CC2 ZINC001160725572 831880355 /nfs/dbraw/zinc/88/03/55/831880355.db2.gz COKJPDFMVIYZPK-ZDUSSCGKSA-N 2 0 326.441 -0.448 20 0 EBADRP O=C(NCCC1=CC[N@H+](CCO)CC1)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001160754206 831882575 /nfs/dbraw/zinc/88/25/75/831882575.db2.gz DHAMHECZRHQHBS-PQUAAJSLSA-N 2 0 335.448 -0.020 20 0 EBADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCC2(CC1)CNC(=O)CO2 ZINC001160772524 831884998 /nfs/dbraw/zinc/88/49/98/831884998.db2.gz TVYRRELESBRLDM-CYBMUJFWSA-N 2 0 336.436 -0.632 20 0 EBADRP O=C(C1=NO[C@@H]2C[NH2+]C[C@H]12)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160780468 831885620 /nfs/dbraw/zinc/88/56/20/831885620.db2.gz SDZSODBIZISSPU-FSZRXZPDSA-N 2 0 326.400 -0.040 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3CC[NH2+]C[C@@H]3F)C[C@H]1C2 ZINC001160797402 831888750 /nfs/dbraw/zinc/88/87/50/831888750.db2.gz NVVNQYGPBZAUFM-WFTXNEMLSA-N 2 0 339.411 -0.209 20 0 EBADRP CCOC(=O)c1cnc2n1CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001160806550 831889340 /nfs/dbraw/zinc/88/93/40/831889340.db2.gz QSPPKOZQKAZHHF-LBPRGKRZSA-N 2 0 337.424 -0.099 20 0 EBADRP CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001160825042 831891936 /nfs/dbraw/zinc/89/19/36/831891936.db2.gz RZKPCLXXWRLLFU-JSGCOSHPSA-N 2 0 335.408 -0.275 20 0 EBADRP CC[C@H](C(=O)NCCC[NH2+]CCN1CCCS1(=O)=O)[NH+](C)C ZINC001160883694 831903051 /nfs/dbraw/zinc/90/30/51/831903051.db2.gz UMIGATJVULKJAP-CYBMUJFWSA-N 2 0 334.486 -0.542 20 0 EBADRP CC[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCO[C@H](C)C1)[NH+](C)C ZINC001160889267 831903821 /nfs/dbraw/zinc/90/38/21/831903821.db2.gz GKSGJWCAGBHBKO-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP O=C([C@@H]1CCCN([C@H]2CC[NH2+]C2)C1)N(c1ncccn1)C1C[NH2+]C1 ZINC001160916120 831906223 /nfs/dbraw/zinc/90/62/23/831906223.db2.gz VGNHHIGKYBYUSZ-KGLIPLIRSA-N 2 0 330.436 -0.145 20 0 EBADRP CN1CC[C@@H]([NH2+]CCCNC(=O)C(C)(C)C[NH+]2CCOCC2)C1=O ZINC001160951333 831909255 /nfs/dbraw/zinc/90/92/55/831909255.db2.gz HGTJTYUOTPPILV-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C[C@H]21 ZINC001161085068 831921304 /nfs/dbraw/zinc/92/13/04/831921304.db2.gz MKZVGBJUZKFLFD-HZSPNIEDSA-N 2 0 340.468 -0.202 20 0 EBADRP COc1cc(N2CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC2)ncn1 ZINC001161092866 831923311 /nfs/dbraw/zinc/92/33/11/831923311.db2.gz CYNZODULTFYAQA-NSHDSACASA-N 2 0 340.453 -0.847 20 0 EBADRP CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219577 831937671 /nfs/dbraw/zinc/93/76/71/831937671.db2.gz RILQTBMELLWYRQ-AIEDFZFUSA-N 3 0 337.468 -0.890 20 0 EBADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@@H]([NH3+])CCCNC(=O)c2cnccn2)C1 ZINC001161239101 831939479 /nfs/dbraw/zinc/93/94/79/831939479.db2.gz GPVLYAYIYZXTRC-XHDPSFHLSA-N 2 0 338.387 -0.787 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161269523 831943277 /nfs/dbraw/zinc/94/32/77/831943277.db2.gz HALPQDYIUGZIPL-CYBMUJFWSA-N 2 0 332.470 -0.531 20 0 EBADRP COc1cnc(O[C@@H]2CCN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C2)nc1 ZINC001161298203 831945208 /nfs/dbraw/zinc/94/52/08/831945208.db2.gz ILMXPAGCVKKLAJ-YPMHNXCESA-N 2 0 333.392 -0.726 20 0 EBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC(Oc2ncc(F)cn2)CC1 ZINC001161313543 831946847 /nfs/dbraw/zinc/94/68/47/831946847.db2.gz PCMQGPRLTZMCKZ-CYBMUJFWSA-N 2 0 335.383 -0.206 20 0 EBADRP CCN(C(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2)[C@H]1CCC[NH2+]C1 ZINC001161328660 831949066 /nfs/dbraw/zinc/94/90/66/831949066.db2.gz FFKLCSFIIKHGDO-QWHCGFSZSA-N 2 0 333.440 -0.475 20 0 EBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161377999 831951455 /nfs/dbraw/zinc/95/14/55/831951455.db2.gz KHWHBXVGRMYYDT-CFVMTHIKSA-N 2 0 337.468 -0.651 20 0 EBADRP COc1ccnc(N(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C2CC[NH2+]CC2)c1 ZINC001161386595 831952756 /nfs/dbraw/zinc/95/27/56/831952756.db2.gz SHZDQHWMSGDBLB-OAHLLOKOSA-N 3 0 345.447 -0.016 20 0 EBADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161413548 831955805 /nfs/dbraw/zinc/95/58/05/831955805.db2.gz QKXWCZANXLGPIR-FQUUOJAGSA-N 2 0 346.435 -0.490 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NCCC2=CCN(CC(N)=O)CC2)cn1 ZINC001161433644 831957014 /nfs/dbraw/zinc/95/70/14/831957014.db2.gz GAQCDNJZMCIAOL-UHFFFAOYSA-N 2 0 348.451 -0.318 20 0 EBADRP C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161450065 831959105 /nfs/dbraw/zinc/95/91/05/831959105.db2.gz ZJBYWWPOTQIDCH-XPABHHOTSA-N 2 0 340.468 -0.740 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C[C@@]1(O)CCC[NH2+]C1)CC2 ZINC001161475988 831962081 /nfs/dbraw/zinc/96/20/81/831962081.db2.gz AFRPIDHBEKTATM-KCXAZCMYSA-N 2 0 325.409 -0.755 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1C[C@H]3C[NH2+]CC[C@@H]3O1)CC2 ZINC001161477041 831962317 /nfs/dbraw/zinc/96/23/17/831962317.db2.gz GTHRXNRYANYZHD-JEJJNBGPSA-N 2 0 337.420 -0.493 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1C[C@@H](OC)CC[NH2+]1)CC2 ZINC001161482604 831964317 /nfs/dbraw/zinc/96/43/17/831964317.db2.gz WTALZSWCEJKTSK-VLXAULBPSA-N 2 0 325.409 -0.493 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[C@@H]3CC[NH2+]C[C@H]3O1)CC2 ZINC001161481292 831964433 /nfs/dbraw/zinc/96/44/33/831964433.db2.gz XJFJWGLPGHANSH-REVBEMBVSA-N 2 0 337.420 -0.493 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[C@H](OC)CC[NH2+]1)CC2 ZINC001161482601 831964509 /nfs/dbraw/zinc/96/45/09/831964509.db2.gz WTALZSWCEJKTSK-IATRGZMQSA-N 2 0 325.409 -0.493 20 0 EBADRP C[C@@]1(C[NH3+])CCCN(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1 ZINC001161489870 831966073 /nfs/dbraw/zinc/96/60/73/831966073.db2.gz QEPGWGRHTCSTHV-HIFRSBDPSA-N 2 0 343.493 -0.012 20 0 EBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC([N@@H+](C)[C@H]2CCOC2)C1 ZINC001161501041 831966861 /nfs/dbraw/zinc/96/68/61/831966861.db2.gz XCLLTFNEFWPCQL-ZFWWWQNUSA-N 2 0 326.441 -0.448 20 0 EBADRP [NH3+][C@H](C(=O)N1C[C@H]([NH3+])C2(COC2)C1)C1CCC2(CC1)OCCO2 ZINC001161509212 831967973 /nfs/dbraw/zinc/96/79/73/831967973.db2.gz ITVAGIGYYUSFPU-STQMWFEESA-N 2 0 325.409 -0.567 20 0 EBADRP O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161592570 831975765 /nfs/dbraw/zinc/97/57/65/831975765.db2.gz XLGONSBHHDKZTD-MRXNPFEDSA-N 2 0 342.443 -0.062 20 0 EBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161597549 831976555 /nfs/dbraw/zinc/97/65/55/831976555.db2.gz OYAVYQQPYSQKEG-WFASDCNBSA-N 2 0 346.431 -0.568 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC1=CC[N@@H+]([C@@H]2CCNC2=O)CC1 ZINC001161698927 831983918 /nfs/dbraw/zinc/98/39/18/831983918.db2.gz GIQGLKZQPCSISB-OAHLLOKOSA-N 2 0 338.452 -0.409 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161789349 831992653 /nfs/dbraw/zinc/99/26/53/831992653.db2.gz MEXUREHCTZUSGO-UHFFFAOYSA-N 2 0 340.468 -0.137 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001162316620 832033275 /nfs/dbraw/zinc/03/32/75/832033275.db2.gz ISDVAIUVKKSTAP-UHFFFAOYSA-N 2 0 345.363 -0.828 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1)C(=O)NC(N)=O ZINC001162617143 832056613 /nfs/dbraw/zinc/05/66/13/832056613.db2.gz BVUNDWPVHUOBNS-SNVBAGLBSA-N 2 0 332.364 -0.373 20 0 EBADRP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1-c1cc(N)cc[nH+]1 ZINC001162842268 832066565 /nfs/dbraw/zinc/06/65/65/832066565.db2.gz GZWQAOREEVLXQL-STQMWFEESA-N 2 0 343.391 -0.804 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)NC1CC1 ZINC001162872451 832068228 /nfs/dbraw/zinc/06/82/28/832068228.db2.gz SHXGECGCMDGJCF-KDJCLPLCSA-N 2 0 336.436 -0.776 20 0 EBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872108 832068440 /nfs/dbraw/zinc/06/84/40/832068440.db2.gz GWPKDSOPCMNTLQ-XOYHFGRZSA-N 2 0 338.452 -0.576 20 0 EBADRP Cn1cnnc1C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872142 832068848 /nfs/dbraw/zinc/06/88/48/832068848.db2.gz HXVJHRLSGDAFBT-UYJPIKCFSA-N 2 0 334.424 -0.726 20 0 EBADRP c1cnc(N2CC[NH2+]CC2)c(NCc2nnc3n2CCC[NH2+]C3)n1 ZINC001163011542 832075362 /nfs/dbraw/zinc/07/53/62/832075362.db2.gz SJZNYFXTDHUWAK-UHFFFAOYSA-N 2 0 329.412 -0.417 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC001350058774 832111064 /nfs/dbraw/zinc/11/10/64/832111064.db2.gz SVTHXIJNOLVXDZ-SYQHCUMBSA-N 2 0 326.441 -0.545 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001163821314 832142628 /nfs/dbraw/zinc/14/26/28/832142628.db2.gz MRATZSNCDMWBFJ-CHWSQXEVSA-N 2 0 336.436 -0.238 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001164536018 832195269 /nfs/dbraw/zinc/19/52/69/832195269.db2.gz KOPZUPWYQWOJEQ-KGLIPLIRSA-N 2 0 326.441 -0.578 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCCC2)C1 ZINC001164536708 832195572 /nfs/dbraw/zinc/19/55/72/832195572.db2.gz XBVDVSDYUOSGCJ-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1=O ZINC001164536196 832195637 /nfs/dbraw/zinc/19/56/37/832195637.db2.gz NVAJWKCCIUVOOT-CABCVRRESA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)CC[N@@H+]1C ZINC001164578044 832199374 /nfs/dbraw/zinc/19/93/74/832199374.db2.gz ZSZWITZVYLABJR-STQMWFEESA-N 2 0 334.486 -0.638 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001165263752 832209764 /nfs/dbraw/zinc/20/97/64/832209764.db2.gz WBSHUTILNBIOIN-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165360100 832217763 /nfs/dbraw/zinc/21/77/63/832217763.db2.gz NKTJAOBOIYVXAR-UHFFFAOYSA-N 2 0 336.502 -0.247 20 0 EBADRP COC[C@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165359740 832217925 /nfs/dbraw/zinc/21/79/25/832217925.db2.gz ILKVMXHSQHOLQU-GJZGRUSLSA-N 2 0 333.473 -0.164 20 0 EBADRP C[NH+](C)CCCC(=O)NCCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001165367303 832217939 /nfs/dbraw/zinc/21/79/39/832217939.db2.gz QYPKLWBMXQBWPB-OAHLLOKOSA-N 2 0 345.484 -0.019 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165378822 832218579 /nfs/dbraw/zinc/21/85/79/832218579.db2.gz PDMMTSGUZMSPHP-CQSZACIVSA-N 2 0 330.473 -0.035 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1)C1CC1 ZINC001165485580 832223174 /nfs/dbraw/zinc/22/31/74/832223174.db2.gz ZKAVUUGWFWFIBB-ZDUSSCGKSA-N 2 0 339.440 -0.602 20 0 EBADRP CC[C@H](C(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1)[NH+](C)C ZINC001165718294 832234447 /nfs/dbraw/zinc/23/44/47/832234447.db2.gz HXXAEBDBANWNPG-LLVKDONJSA-N 2 0 327.429 -0.602 20 0 EBADRP CC[C@H](C(=O)NCCC1(C[NH2+]Cc2nc(=O)n(C)[nH]2)CC1)[NH+](C)C ZINC001165729116 832234804 /nfs/dbraw/zinc/23/48/04/832234804.db2.gz ZESKZCIOJJEPPB-GFCCVEGCSA-N 2 0 338.456 -0.175 20 0 EBADRP C[NH+]1CCC(C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCCO2)CC1 ZINC001165772807 832237721 /nfs/dbraw/zinc/23/77/21/832237721.db2.gz ZKJXPFFCXVWHHU-OAHLLOKOSA-N 2 0 340.468 -0.281 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001166626822 832274536 /nfs/dbraw/zinc/27/45/36/832274536.db2.gz KGNXMDCYMJGSNP-HUUCEWRRSA-N 2 0 340.468 -0.281 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001166626823 832274577 /nfs/dbraw/zinc/27/45/77/832274577.db2.gz KGNXMDCYMJGSNP-LSDHHAIUSA-N 2 0 340.468 -0.281 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001166626821 832275253 /nfs/dbraw/zinc/27/52/53/832275253.db2.gz KGNXMDCYMJGSNP-GJZGRUSLSA-N 2 0 340.468 -0.281 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]Cc1nnc2n1CCOC2 ZINC001166634156 832275818 /nfs/dbraw/zinc/27/58/18/832275818.db2.gz PRHVSQMYLKWJFX-CYBMUJFWSA-N 2 0 336.440 -0.112 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166668178 832278249 /nfs/dbraw/zinc/27/82/49/832278249.db2.gz UKBSXYLZCIUURF-CYBMUJFWSA-N 2 0 341.456 -0.340 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)Nc2nncs2)C1 ZINC001166676801 832278602 /nfs/dbraw/zinc/27/86/02/832278602.db2.gz CSRQXMIVBHIFKI-LLVKDONJSA-N 2 0 340.453 -0.086 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166676632 832278855 /nfs/dbraw/zinc/27/88/55/832278855.db2.gz ABRHYBNEVONZDB-GJZGRUSLSA-N 2 0 342.484 -0.035 20 0 EBADRP O=C(C[NH+]1CCCC1)NCCOCCNC(=O)C[NH+]1CCCC1 ZINC001351809491 832282582 /nfs/dbraw/zinc/28/25/82/832282582.db2.gz JDPIAKXLGMRRPM-UHFFFAOYSA-N 2 0 326.441 -0.573 20 0 EBADRP COCCCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001166765296 832286775 /nfs/dbraw/zinc/28/67/75/832286775.db2.gz WPTADRMLKWCSJS-UHFFFAOYSA-N 2 0 342.484 -0.033 20 0 EBADRP CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC1CCOCC1)[NH+](C)C ZINC001166857359 832293940 /nfs/dbraw/zinc/29/39/40/832293940.db2.gz DBUDDAFJODVCGU-AWEZNQCLSA-N 2 0 328.457 -0.282 20 0 EBADRP C[C@@H](COCC(=O)NCCC[NH2+][C@H]1CCN(C)C1=O)[NH+]1CCCC1 ZINC001166924334 832298874 /nfs/dbraw/zinc/29/88/74/832298874.db2.gz KEJZEOREVPOBGO-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H](COCC(=O)NCCC[NH2+]CC(=O)NC1CC1)[NH+]1CCCC1 ZINC001166931274 832300591 /nfs/dbraw/zinc/30/05/91/832300591.db2.gz UAWJESRFYNBHOY-AWEZNQCLSA-N 2 0 340.468 -0.138 20 0 EBADRP C[C@@H]([NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001166986567 832305915 /nfs/dbraw/zinc/30/59/15/832305915.db2.gz OITWXFFFMHLZSB-LLVKDONJSA-N 2 0 327.429 -0.602 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+]CCNS(C)(=O)=O)CC1 ZINC001167639524 832361905 /nfs/dbraw/zinc/36/19/05/832361905.db2.gz AJDVKZFWWLSRAK-UHFFFAOYSA-N 2 0 348.513 -0.247 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001167814894 832377356 /nfs/dbraw/zinc/37/73/56/832377356.db2.gz JOWOYFVTOMDYBP-UHFFFAOYSA-N 2 0 327.429 -0.601 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168031107 832388838 /nfs/dbraw/zinc/38/88/38/832388838.db2.gz WYFNOPHHLALQTG-UONOGXRCSA-N 2 0 346.497 -0.352 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC001353131899 832406350 /nfs/dbraw/zinc/40/63/50/832406350.db2.gz RORRNHDAWGGLSJ-KGLIPLIRSA-N 2 0 340.468 -0.153 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCC1(C[NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001168345291 832415759 /nfs/dbraw/zinc/41/57/59/832415759.db2.gz NYAOOFVLQMVBMX-LBPRGKRZSA-N 2 0 341.456 -0.214 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001353314196 832421389 /nfs/dbraw/zinc/42/13/89/832421389.db2.gz YHEMPRHMHJQIGS-MGPQQGTHSA-N 2 0 325.457 -0.164 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001353448213 832428368 /nfs/dbraw/zinc/42/83/68/832428368.db2.gz NUDCWTKKQLWBCX-GJZGRUSLSA-N 2 0 340.468 -0.343 20 0 EBADRP O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)N1CCNCC[NH2+]CC1 ZINC001353467656 832429360 /nfs/dbraw/zinc/42/93/60/832429360.db2.gz PELWFNLJEDHQAU-UONOGXRCSA-N 2 0 327.498 -0.229 20 0 EBADRP [NH3+]CCCCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001353487756 832430469 /nfs/dbraw/zinc/43/04/69/832430469.db2.gz GFNBSAIUHUQSTG-HNNXBMFYSA-N 2 0 327.473 -0.179 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C[NH+](CC)CC ZINC001168747109 832434224 /nfs/dbraw/zinc/43/42/24/832434224.db2.gz FHLVKQCQVOFNOH-LBPRGKRZSA-N 2 0 329.445 -0.342 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001168763964 832435651 /nfs/dbraw/zinc/43/56/51/832435651.db2.gz VNMYCHZFBOVURX-ZDUSSCGKSA-N 2 0 343.472 -0.983 20 0 EBADRP Cc1cn(CC(=O)NCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(=O)[nH]c1=O ZINC001169107129 832448998 /nfs/dbraw/zinc/44/89/98/832448998.db2.gz DPUJCUJDJWDYME-BTTYYORXSA-N 2 0 349.435 -0.412 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001169127374 832449927 /nfs/dbraw/zinc/44/99/27/832449927.db2.gz MXZWBDWNZMZLOR-UHFFFAOYSA-N 2 0 348.513 -0.247 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCCC[NH2+][C@H]2CCCNC2=O)CC1 ZINC001169541868 832466879 /nfs/dbraw/zinc/46/68/79/832466879.db2.gz QQMWLWXXMMJOBL-AWEZNQCLSA-N 2 0 326.441 -0.528 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)NCCC[NH2+]CCNS(C)(=O)=O)CC1 ZINC001169958455 832483253 /nfs/dbraw/zinc/48/32/53/832483253.db2.gz KUNRGHBLRVOWGI-UHFFFAOYSA-N 2 0 348.513 -0.248 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001170212344 832492850 /nfs/dbraw/zinc/49/28/50/832492850.db2.gz VGEKVWKOPZYRHR-UHFFFAOYSA-N 2 0 334.486 -0.540 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001170223334 832492913 /nfs/dbraw/zinc/49/29/13/832492913.db2.gz RXHAYEFGNGUJAM-OAHLLOKOSA-N 2 0 345.484 -0.019 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001170221974 832493024 /nfs/dbraw/zinc/49/30/24/832493024.db2.gz GQJJITWMRZUIED-UHFFFAOYSA-N 2 0 336.502 -0.294 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001171160637 832549546 /nfs/dbraw/zinc/54/95/46/832549546.db2.gz HVWGAZCELGYHCU-OLZOCXBDSA-N 2 0 341.456 -0.342 20 0 EBADRP CC(C)COC[C@H](O)C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171216852 832551496 /nfs/dbraw/zinc/55/14/96/832551496.db2.gz JQPPAIWVABXQHB-OAHLLOKOSA-N 2 0 333.473 -0.306 20 0 EBADRP CCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171217400 832551523 /nfs/dbraw/zinc/55/15/23/832551523.db2.gz MEUPESDDSZCBLK-CQSZACIVSA-N 2 0 330.473 -0.035 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171216422 832551609 /nfs/dbraw/zinc/55/16/09/832551609.db2.gz IOEFBUJYONVYHQ-ZDUSSCGKSA-N 2 0 341.456 -0.340 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001171226504 832552473 /nfs/dbraw/zinc/55/24/73/832552473.db2.gz HEKKDYJZHRWPLN-ZIAGYGMSSA-N 2 0 331.482 -0.141 20 0 EBADRP C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171246524 832553497 /nfs/dbraw/zinc/55/34/97/832553497.db2.gz FNXAEXOPYAYOFQ-FZMZJTMJSA-N 2 0 341.456 -0.214 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2)NC(=O)NC1CC1 ZINC001171303677 832555658 /nfs/dbraw/zinc/55/56/58/832555658.db2.gz WDFMPKMYIUOFOK-UHFFFAOYSA-N 2 0 337.424 -0.834 20 0 EBADRP CC[C@H](C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NC(N)=O)[NH+](C)C ZINC001171509205 832561713 /nfs/dbraw/zinc/56/17/13/832561713.db2.gz NCJMBYXDJPZHGM-VXGBXAGGSA-N 2 0 329.445 -0.214 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001171725159 832573998 /nfs/dbraw/zinc/57/39/98/832573998.db2.gz GIYWYRUVRWYINC-UHFFFAOYSA-N 2 0 341.456 -0.198 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC(=O)Nc2nncs2)C1 ZINC001176049855 832654416 /nfs/dbraw/zinc/65/44/16/832654416.db2.gz ZINPTDRMRBRIHX-SNVBAGLBSA-N 2 0 326.426 -0.476 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001176058134 832655193 /nfs/dbraw/zinc/65/51/93/832655193.db2.gz VHFVBHQMQAKCNG-KBPBESRZSA-N 2 0 326.441 -0.813 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176071814 832655585 /nfs/dbraw/zinc/65/55/85/832655585.db2.gz IJHCXJGGLCKFAT-NWDGAFQWSA-N 2 0 327.429 -0.732 20 0 EBADRP O=C(C[NH+]1CCCC1)NCCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001176119274 832658570 /nfs/dbraw/zinc/65/85/70/832658570.db2.gz YVNCACRBGVOGQK-HOTGVXAUSA-N 2 0 343.468 -0.265 20 0 EBADRP C[C@@H](CCCC[NH2+][C@@H]1CCNC1=O)NC(=O)COCC[NH+](C)C ZINC001176156010 832660039 /nfs/dbraw/zinc/66/00/39/832660039.db2.gz FGUDROBLQYCOIE-UONOGXRCSA-N 2 0 328.457 -0.282 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001176972247 832722578 /nfs/dbraw/zinc/72/25/78/832722578.db2.gz SMCCCBFBCVUHJN-UHFFFAOYSA-N 2 0 327.429 -0.589 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001176975065 832723274 /nfs/dbraw/zinc/72/32/74/832723274.db2.gz JTYZLURHSVFKBC-AWEZNQCLSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001176986035 832726081 /nfs/dbraw/zinc/72/60/81/832726081.db2.gz CHJZSPJRFLPCEW-HNNXBMFYSA-N 2 0 340.468 -0.185 20 0 EBADRP C[C@@H]([NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)NC(N)=O ZINC001178045863 832817013 /nfs/dbraw/zinc/81/70/13/832817013.db2.gz XPENYZSRBCYSEE-CHWSQXEVSA-N 2 0 341.456 -0.070 20 0 EBADRP CNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001178536406 832878883 /nfs/dbraw/zinc/87/88/83/832878883.db2.gz VHHXJLDNXDVSHS-GJZGRUSLSA-N 2 0 340.468 -0.138 20 0 EBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC001178721410 832904349 /nfs/dbraw/zinc/90/43/49/832904349.db2.gz DJXLFLFWRGQWMC-STQMWFEESA-N 2 0 336.440 -0.617 20 0 EBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001179178909 832957788 /nfs/dbraw/zinc/95/77/88/832957788.db2.gz DGJYRRYLZXSOSQ-FEPWIYDJSA-N 2 0 336.436 -0.825 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001179431073 832978063 /nfs/dbraw/zinc/97/80/63/832978063.db2.gz NGOXFCPYPXLWAN-QWRGUYRKSA-N 2 0 325.413 -0.898 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179486705 832982074 /nfs/dbraw/zinc/98/20/74/832982074.db2.gz PYYSEUZMMYADQN-WOPDTQHZSA-N 2 0 327.429 -0.639 20 0 EBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C)C(=O)NC(N)=O ZINC001179472232 832982134 /nfs/dbraw/zinc/98/21/34/832982134.db2.gz JGMJZJKJWCWXHV-GVXVVHGQSA-N 2 0 339.440 -0.509 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)[C@H]1C ZINC001179534718 832985489 /nfs/dbraw/zinc/98/54/89/832985489.db2.gz SNLXNYAFMIKUPE-AGIUHOORSA-N 2 0 339.440 -0.495 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187121296 833902754 /nfs/dbraw/zinc/90/27/54/833902754.db2.gz GVGPSGIXEUOWNW-OAHLLOKOSA-N 2 0 338.452 -0.575 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187127455 833904939 /nfs/dbraw/zinc/90/49/39/833904939.db2.gz UKTRWPZIRVQVPC-NWDGAFQWSA-N 2 0 337.424 -0.883 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1)C(=O)NC(N)=O ZINC001187135524 833905697 /nfs/dbraw/zinc/90/56/97/833905697.db2.gz SJBOFFRPSCOSTQ-GHMZBOCLSA-N 2 0 348.407 -0.465 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001187321929 833919404 /nfs/dbraw/zinc/91/94/04/833919404.db2.gz IPXYDHPUNYRULS-CQSZACIVSA-N 2 0 346.497 -0.446 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001187323095 833919517 /nfs/dbraw/zinc/91/95/17/833919517.db2.gz YDMDVUDQPBJVOF-CQSZACIVSA-N 2 0 348.513 -0.200 20 0 EBADRP CN(CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001187826405 833971330 /nfs/dbraw/zinc/97/13/30/833971330.db2.gz ZOLUPQRRZOLOGE-CHWSQXEVSA-N 2 0 332.470 -0.980 20 0 EBADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187826368 833971957 /nfs/dbraw/zinc/97/19/57/833971957.db2.gz YNVKAMHUIKJLON-UONOGXRCSA-N 2 0 331.482 -0.047 20 0 EBADRP CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001187850707 833973336 /nfs/dbraw/zinc/97/33/36/833973336.db2.gz HITOUEVAQZPGNK-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001187851031 833973623 /nfs/dbraw/zinc/97/36/23/833973623.db2.gz MEOHSEJMSGUPRW-ZIAGYGMSSA-N 2 0 347.481 -0.810 20 0 EBADRP CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001188106435 834004299 /nfs/dbraw/zinc/00/42/99/834004299.db2.gz LPIGNJHOKWEDMU-CQSZACIVSA-N 2 0 346.497 -0.398 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189019054 834116684 /nfs/dbraw/zinc/11/66/84/834116684.db2.gz ZLVODYMVNHXBOA-ARFHVFGLSA-N 2 0 325.453 -0.132 20 0 EBADRP CC(C)NC(=O)CN1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189802101 834193184 /nfs/dbraw/zinc/19/31/84/834193184.db2.gz SJYOSWNFTCYCDE-LSDHHAIUSA-N 2 0 340.468 -0.378 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446895 837774807 /nfs/dbraw/zinc/77/48/07/837774807.db2.gz YLOUYXKJAMFSQX-RRFJBIMHSA-N 2 0 345.484 -0.213 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192045664 834598084 /nfs/dbraw/zinc/59/80/84/834598084.db2.gz HZRKNDNQDGGSJB-QWHCGFSZSA-N 2 0 341.456 -0.295 20 0 EBADRP C[N@H+](C[C@@H](O)Cn1cccn1)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194027046 835000825 /nfs/dbraw/zinc/00/08/25/835000825.db2.gz OVQCNYNDJVTENO-HZPDHXFCSA-N 2 0 335.452 -0.128 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)CCN2C(=O)CNC2=O)C1 ZINC001194296294 835076409 /nfs/dbraw/zinc/07/64/09/835076409.db2.gz ZBVNCEIKCMLMCM-ZDUSSCGKSA-N 2 0 339.440 -0.589 20 0 EBADRP Cn1ccnc1CCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1O ZINC001194908808 835162246 /nfs/dbraw/zinc/16/22/46/835162246.db2.gz ICQRLSWBGLSJFS-RRFJBIMHSA-N 2 0 336.436 -0.059 20 0 EBADRP CCCCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708055 835276166 /nfs/dbraw/zinc/27/61/66/835276166.db2.gz DAMUSARYSULSGW-RBSFLKMASA-N 2 0 342.484 -0.206 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001195871227 835304803 /nfs/dbraw/zinc/30/48/03/835304803.db2.gz ODRAVSQSQCDDTL-ZIAGYGMSSA-N 2 0 326.441 -0.888 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCC[N@H+](CCN2CCNC2=O)CC1 ZINC001196970529 835489376 /nfs/dbraw/zinc/48/93/76/835489376.db2.gz JOBGMIOESGYPCL-UHFFFAOYSA-N 2 0 325.457 -0.112 20 0 EBADRP COCCOC[C@@H](O)C[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001198097924 835641857 /nfs/dbraw/zinc/64/18/57/835641857.db2.gz MBAQMVUYHGVPHO-HOTGVXAUSA-N 2 0 343.468 -0.504 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001198112994 835642817 /nfs/dbraw/zinc/64/28/17/835642817.db2.gz 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COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCCO1 ZINC001200688785 836016778 /nfs/dbraw/zinc/01/67/78/836016778.db2.gz VZIOVJDPCUTJOJ-GJZGRUSLSA-N 2 0 343.468 -0.315 20 0 EBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1)C(N)=O ZINC001200704853 836019516 /nfs/dbraw/zinc/01/95/16/836019516.db2.gz PYJMPDCCCQTMJF-TZMCWYRMSA-N 2 0 326.441 -0.448 20 0 EBADRP C[N@H+](CC(=O)N1CCCO[C@H](C[NH2+]CCOCCO)C1)C1CCC1 ZINC001200705502 836020941 /nfs/dbraw/zinc/02/09/41/836020941.db2.gz XSBRKSFTMOKPRY-MRXNPFEDSA-N 2 0 343.468 -0.313 20 0 EBADRP CC[C@H]([NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1)C(N)=O ZINC001200705252 836021923 /nfs/dbraw/zinc/02/19/23/836021923.db2.gz WSAHQHRQXYXTGS-CABCVRRESA-N 2 0 340.468 -0.058 20 0 EBADRP CC[C@H](C(=O)N1CCCO[C@@H](C[NH2+]C[C@@H](O)COC)C1)[NH+](C)C ZINC001200795439 836035320 /nfs/dbraw/zinc/03/53/20/836035320.db2.gz KBLLNNBGAAPXBV-QLFBSQMISA-N 2 0 331.457 -0.459 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200807092 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CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209419146 837166387 /nfs/dbraw/zinc/16/63/87/837166387.db2.gz JMBXCGJQWYAPEZ-OLZOCXBDSA-N 2 0 341.456 -0.247 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209453763 837167388 /nfs/dbraw/zinc/16/73/88/837167388.db2.gz CSFFPCBOEGCZIJ-CQSZACIVSA-N 2 0 348.513 -0.152 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001210049443 837230559 /nfs/dbraw/zinc/23/05/59/837230559.db2.gz BFDGZOSHBFWMDQ-ZIAGYGMSSA-N 2 0 338.452 -0.086 20 0 EBADRP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001210427533 837287305 /nfs/dbraw/zinc/28/73/05/837287305.db2.gz WFGGHLDIASLXAM-MCIONIFRSA-N 2 0 338.452 -0.040 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001210493665 837290067 /nfs/dbraw/zinc/29/00/67/837290067.db2.gz MXIHVJJLFJUILG-CYBMUJFWSA-N 2 0 334.486 -0.542 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001210492797 837290767 /nfs/dbraw/zinc/29/07/67/837290767.db2.gz COXJINRWTTWTEB-CQSZACIVSA-N 2 0 325.457 -0.066 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001210673437 837315495 /nfs/dbraw/zinc/31/54/95/837315495.db2.gz CCUJBIDIIOTOHX-KBPBESRZSA-N 2 0 346.497 -0.542 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001210789004 837331441 /nfs/dbraw/zinc/33/14/41/837331441.db2.gz LRRYTGLGPPAAMA-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001210811420 837334182 /nfs/dbraw/zinc/33/41/82/837334182.db2.gz NSHFUWRRZXOKOP-AWEZNQCLSA-N 2 0 348.513 -0.200 20 0 EBADRP CN(CC[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)S(C)(=O)=O ZINC001211081122 837381077 /nfs/dbraw/zinc/38/10/77/837381077.db2.gz IMAZVFLWOCHYHI-AWEZNQCLSA-N 2 0 346.497 -0.446 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211080822 837381653 /nfs/dbraw/zinc/38/16/53/837381653.db2.gz FTWOXSJVECEDHT-MRXNPFEDSA-N 2 0 340.468 -0.185 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213753874 837858477 /nfs/dbraw/zinc/85/84/77/837858477.db2.gz OMWFNPFRLXJKDR-RRFJBIMHSA-N 2 0 331.457 -0.459 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213914646 837899910 /nfs/dbraw/zinc/89/99/10/837899910.db2.gz PVKHHOIHYTYKLG-ARFHVFGLSA-N 2 0 343.468 -0.315 20 0 EBADRP C[NH+]1CCC(CC(=O)NC[C@H](O)C[NH2+]CCN2CCCC2=O)CC1 ZINC001320284404 838742566 /nfs/dbraw/zinc/74/25/66/838742566.db2.gz UEXYCSRPURSYHL-OAHLLOKOSA-N 2 0 340.468 -0.593 20 0 EBADRP C[C@H](CC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001320518438 838783243 /nfs/dbraw/zinc/78/32/43/838783243.db2.gz RVRHHNVJNUJDJI-GFCCVEGCSA-N 2 0 338.456 -0.033 20 0 EBADRP C[C@H](CC[NH2+]CCN1CCNC1=O)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001320608037 838801972 /nfs/dbraw/zinc/80/19/72/838801972.db2.gz MVZXBQGGHDRSCT-ZIAGYGMSSA-N 2 0 325.457 -0.162 20 0 EBADRP CN(CC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C)S(C)(=O)=O ZINC001321121119 838912066 /nfs/dbraw/zinc/91/20/66/838912066.db2.gz QNANRHAEQDDPIX-VBROQKIQSA-N 2 0 346.497 -0.376 20 0 EBADRP O=C(CCC[NH+]1CCCC1)NC/C=C/C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001321416208 838986870 /nfs/dbraw/zinc/98/68/70/838986870.db2.gz HGRMGXAYVRUOLA-VSZDKKFSSA-N 2 0 336.436 -0.070 20 0 EBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC001321510057 839006928 /nfs/dbraw/zinc/00/69/28/839006928.db2.gz UPGDUCPGRLJDSD-BBRMVZONSA-N 2 0 342.509 -0.050 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001321897986 839097583 /nfs/dbraw/zinc/09/75/83/839097583.db2.gz ONMGDQURIJMELN-UHFFFAOYSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001322053290 839132197 /nfs/dbraw/zinc/13/21/97/839132197.db2.gz QFIUFVAYOBXZDW-UHFFFAOYSA-N 2 0 339.484 -0.661 20 0 EBADRP C[C@H]([NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C(=O)NC(N)=O ZINC001322554258 839200172 /nfs/dbraw/zinc/20/01/72/839200172.db2.gz HGEWMSQXIJPBBV-HBNTYKKESA-N 2 0 336.396 -0.465 20 0 EBADRP CN(CCC[NH2+]CC(=O)NC(N)=O)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001322567057 839204136 /nfs/dbraw/zinc/20/41/36/839204136.db2.gz VMJXTQKEDSTJTO-QWHCGFSZSA-N 2 0 339.440 -0.364 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC001322810927 839272262 /nfs/dbraw/zinc/27/22/62/839272262.db2.gz JGDKICOHVZQHOD-HUUCEWRRSA-N 2 0 338.452 -0.480 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C2CC2)CC1 ZINC001323063480 839340469 /nfs/dbraw/zinc/34/04/69/839340469.db2.gz FCRTYVCLYQQHSF-ZIAGYGMSSA-N 2 0 336.436 -0.382 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001323075812 839342122 /nfs/dbraw/zinc/34/21/22/839342122.db2.gz YJDSDHGZDAYGNC-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP C[C@H]([NH2+]CC(=O)NC(N)=O)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001325455455 839870113 /nfs/dbraw/zinc/87/01/13/839870113.db2.gz LIFDTPFRSZWKOE-STQMWFEESA-N 2 0 341.456 -0.260 20 0 EBADRP Cn1nccc1CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001326072912 840024222 /nfs/dbraw/zinc/02/42/22/840024222.db2.gz DBBOBOYTXRBDGV-INIZCTEOSA-N 2 0 337.468 -0.143 20 0 EBADRP O=C(C[NH+]1CCCC1)N(CCO)CC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001326148614 840049048 /nfs/dbraw/zinc/04/90/48/840049048.db2.gz PTUVRVDUBQONLA-AWEZNQCLSA-N 2 0 336.440 -0.728 20 0 EBADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)C2)CC1 ZINC001326155309 840052453 /nfs/dbraw/zinc/05/24/53/840052453.db2.gz DFKQIBAYCXHINA-SJLPKXTDSA-N 3 0 339.528 -0.647 20 0 EBADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC001326182063 840058228 /nfs/dbraw/zinc/05/82/28/840058228.db2.gz DGNQVYHXLJGSCN-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP CO[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@H]1C ZINC001326993386 840264982 /nfs/dbraw/zinc/26/49/82/840264982.db2.gz DZPBCAMQOCDWEW-LSDHHAIUSA-N 2 0 342.484 -0.178 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001327079671 840293578 /nfs/dbraw/zinc/29/35/78/840293578.db2.gz JJEXHIAWFZWBSZ-CYBMUJFWSA-N 2 0 335.470 -0.812 20 0 EBADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC001327194751 840322885 /nfs/dbraw/zinc/32/28/85/840322885.db2.gz IWXKGASAAVNSMB-LSDHHAIUSA-N 2 0 338.452 -0.746 20 0 EBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001327486037 840433184 /nfs/dbraw/zinc/43/31/84/840433184.db2.gz OIRTZJAAPVAILX-GFCCVEGCSA-N 2 0 326.441 -0.543 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[C@H]1F ZINC001327501474 840436769 /nfs/dbraw/zinc/43/67/69/840436769.db2.gz ZWSRYVPVTYGHCK-MGPQQGTHSA-N 2 0 342.415 -0.746 20 0 EBADRP CN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)[C@H](C[NH3+])C1 ZINC001327505969 840439233 /nfs/dbraw/zinc/43/92/33/840439233.db2.gz VUSQSHCUQHNKSX-MCIONIFRSA-N 2 0 325.457 -0.923 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CCn2cncn2)CCOCC1 ZINC001327650589 840484898 /nfs/dbraw/zinc/48/48/98/840484898.db2.gz OHCHDLAELSFAAL-CQSZACIVSA-N 2 0 336.440 -0.373 20 0 EBADRP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001327898934 840542714 /nfs/dbraw/zinc/54/27/14/840542714.db2.gz DFPDVYDDNOCDST-QWHCGFSZSA-N 2 0 346.497 -0.686 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001328400998 840670903 /nfs/dbraw/zinc/67/09/03/840670903.db2.gz PXBXORSJMHMZGX-IRXDYDNUSA-N 3 0 328.501 -0.579 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CCN2CCNC2=O)C1 ZINC001328875430 840776075 /nfs/dbraw/zinc/77/60/75/840776075.db2.gz GFXHFLQYODBQCI-YMAMQOFZSA-N 2 0 337.468 -0.020 20 0 EBADRP [NH2+]=C(NCCCN1CCOCC1)NCC1CCS(=O)(=O)CC1 ZINC001329226435 840879229 /nfs/dbraw/zinc/87/92/29/840879229.db2.gz ZOMQDYFVMLLCOQ-UHFFFAOYSA-N 2 0 332.470 -0.353 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001329446109 840922538 /nfs/dbraw/zinc/92/25/38/840922538.db2.gz GPOUISVKXLNACX-UHFFFAOYSA-N 2 0 347.463 -0.138 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC001329609808 840964452 /nfs/dbraw/zinc/96/44/52/840964452.db2.gz TUSOHKHJQUKUOQ-UHFFFAOYSA-N 2 0 339.484 -0.720 20 0 EBADRP CC(=O)N(C(=O)C(=O)N1CC[C@@H]([NH3+])C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001329645591 840974206 /nfs/dbraw/zinc/97/42/06/840974206.db2.gz BMZRYTLXBSLKPQ-CQSZACIVSA-N 2 0 330.388 -0.229 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001330577194 841238539 /nfs/dbraw/zinc/23/85/39/841238539.db2.gz JJPZGJZFYQDKCC-AVGNSLFASA-N 2 0 337.424 -0.883 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC001330859319 841284223 /nfs/dbraw/zinc/28/42/23/841284223.db2.gz DCGZUSWNUXACJS-LBPRGKRZSA-N 2 0 337.424 -0.508 20 0 EBADRP C[C@@H](CCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001330955842 841302290 /nfs/dbraw/zinc/30/22/90/841302290.db2.gz URZBNPIOBMTJSQ-QWHCGFSZSA-N 2 0 338.456 -0.175 20 0 EBADRP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCN1C(=O)CNC1=O ZINC001331530256 841422704 /nfs/dbraw/zinc/42/27/04/841422704.db2.gz ACMIUITZJSHGBU-NWDGAFQWSA-N 2 0 325.413 -0.931 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001331588880 841433257 /nfs/dbraw/zinc/43/32/57/841433257.db2.gz LHQYDQMXMWNVCM-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001331620346 841442134 /nfs/dbraw/zinc/44/21/34/841442134.db2.gz UZPWCVOVCHEUDS-SOUVJXGZSA-N 2 0 339.484 -0.770 20 0 EBADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001331657283 841452329 /nfs/dbraw/zinc/45/23/29/841452329.db2.gz JFFVMFKKVOKJFC-OKILXGFUSA-N 2 0 340.468 -0.201 20 0 EBADRP CC(C)NC(=O)NCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001331738319 841477152 /nfs/dbraw/zinc/47/71/52/841477152.db2.gz GGMQBKHIAZIANB-ZIAGYGMSSA-N 2 0 343.472 -0.755 20 0 EBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001332345857 841620891 /nfs/dbraw/zinc/62/08/91/841620891.db2.gz MBKLVKXEIRQHOK-ZIAGYGMSSA-N 2 0 340.468 -0.058 20 0 EBADRP CC[NH+](CC)C1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC001332433320 841641396 /nfs/dbraw/zinc/64/13/96/841641396.db2.gz FSHHJNRCRMJLIB-QGZVFWFLSA-N 2 0 340.468 -0.369 20 0 EBADRP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC[N@@H+]1C ZINC001332434946 841641519 /nfs/dbraw/zinc/64/15/19/841641519.db2.gz YIRLEMMSDDSUOF-DVOMOZLQSA-N 2 0 326.441 -0.760 20 0 EBADRP CN(C[C@H](O)C[NH2+]CCc1cnn(C)c1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001332527720 841660700 /nfs/dbraw/zinc/66/07/00/841660700.db2.gz DCFUPQMXJOXXML-CVEARBPZSA-N 2 0 337.468 -0.144 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CCCS(C)(=O)=O)C(=O)C1CC[NH+](C)CC1 ZINC001332566681 841673774 /nfs/dbraw/zinc/67/37/74/841673774.db2.gz PYBUXJMWPRYCKD-AWEZNQCLSA-N 2 0 349.497 -0.828 20 0 EBADRP CN(C[C@H](O)C[NH2+]CCCN1CCCC1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001332606509 841687688 /nfs/dbraw/zinc/68/76/88/841687688.db2.gz NUGSVXCTJHTZQP-LSDHHAIUSA-N 2 0 340.468 -0.641 20 0 EBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC001333169906 841812470 /nfs/dbraw/zinc/81/24/70/841812470.db2.gz MURHXZZRUZFBKM-AWEZNQCLSA-N 2 0 337.468 -0.826 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCN1c1cc[nH+]cc1 ZINC001333436597 841878856 /nfs/dbraw/zinc/87/88/56/841878856.db2.gz DDRUZPBHZMMVON-MCIONIFRSA-N 2 0 331.420 -0.028 20 0 EBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001333943003 841972184 /nfs/dbraw/zinc/97/21/84/841972184.db2.gz INBNTYSYHULJBZ-HZSPNIEDSA-N 2 0 338.452 -0.448 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC001334185382 842006480 /nfs/dbraw/zinc/00/64/80/842006480.db2.gz CCPSHPUVJATPAN-UHFFFAOYSA-N 2 0 328.457 -0.471 20 0 EBADRP CCN1CC[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001334962752 842155366 /nfs/dbraw/zinc/15/53/66/842155366.db2.gz OIFJDWZJBLWIDS-CQSZACIVSA-N 2 0 327.473 -0.851 20 0 EBADRP CCN1CC[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001334962750 842155428 /nfs/dbraw/zinc/15/54/28/842155428.db2.gz OIFJDWZJBLWIDS-AWEZNQCLSA-N 2 0 327.473 -0.851 20 0 EBADRP C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC001335188756 842218677 /nfs/dbraw/zinc/21/86/77/842218677.db2.gz RQJIJQYLZIKFCR-ZDUSSCGKSA-N 2 0 336.392 -0.854 20 0 EBADRP CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC001335279534 842248296 /nfs/dbraw/zinc/24/82/96/842248296.db2.gz WTCUPLHSUUCKJS-ZDUSSCGKSA-N 2 0 326.441 -0.576 20 0 EBADRP CC[NH+](CC)C1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC001335279533 842248498 /nfs/dbraw/zinc/24/84/98/842248498.db2.gz WTCUPLHSUUCKJS-CYBMUJFWSA-N 2 0 326.441 -0.576 20 0 EBADRP CN1CCN(C(=O)NCCCCCN2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC001335647380 842325277 /nfs/dbraw/zinc/32/52/77/842325277.db2.gz XFXSFMHZCMVVNN-HNNXBMFYSA-N 2 0 326.489 -0.654 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)NCCCCCN2CC[NH2+]CC2)CCCO1 ZINC001335647394 842325660 /nfs/dbraw/zinc/32/56/60/842325660.db2.gz XNIULANGPRFNPU-OAHLLOKOSA-N 2 0 327.473 -0.179 20 0 EBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC001335692300 842335667 /nfs/dbraw/zinc/33/56/67/842335667.db2.gz QHKSPQUWFJKBHR-LBPRGKRZSA-N 2 0 334.424 -0.091 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)C[NH+](C)C ZINC001336227827 842419956 /nfs/dbraw/zinc/41/99/56/842419956.db2.gz FYAPLILCJTVDOA-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)CC1 ZINC001336553513 842491759 /nfs/dbraw/zinc/49/17/59/842491759.db2.gz IWOWNORXFACXPK-UHFFFAOYSA-N 2 0 340.468 -0.058 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC001336631532 842520750 /nfs/dbraw/zinc/52/07/50/842520750.db2.gz OQLKDHAOSFQCGG-OLZOCXBDSA-N 2 0 326.441 -0.543 20 0 EBADRP CCN(C(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)[C@@H]1CC[NH2+]C1 ZINC001337339623 842603371 /nfs/dbraw/zinc/60/33/71/842603371.db2.gz SMMVMGIYHUPQKJ-CABCVRRESA-N 2 0 340.468 -0.330 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001338280746 842776117 /nfs/dbraw/zinc/77/61/17/842776117.db2.gz YYTGYJRYQOAAKN-KGLIPLIRSA-N 2 0 340.468 -0.425 20 0 EBADRP C[NH+](C)CCOCCNC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001338594314 842839134 /nfs/dbraw/zinc/83/91/34/842839134.db2.gz COSFRLOMRLQTAF-ZDUSSCGKSA-N 2 0 342.440 -0.451 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC001339416435 842912966 /nfs/dbraw/zinc/91/29/66/842912966.db2.gz LLKNRTZAVPDDAI-UHFFFAOYSA-N 2 0 341.500 -0.230 20 0 EBADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC001340087205 842969157 /nfs/dbraw/zinc/96/91/57/842969157.db2.gz FXXNSNBZRSFIEC-LBPRGKRZSA-N 2 0 334.424 -0.091 20 0 EBADRP CC(CC[NH+]1CCN(C)[C@H](CO)C1)CC[N@@H+]1CCN(C)[C@H](CO)C1 ZINC001341801926 843114951 /nfs/dbraw/zinc/11/49/51/843114951.db2.gz RPMYCCWDISTSJI-ROUUACIJSA-N 2 0 342.528 -0.381 20 0 EBADRP C[C@H](CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001342171977 843146421 /nfs/dbraw/zinc/14/64/21/843146421.db2.gz HKKAIJHZVPOCQF-APIJFGDWSA-N 2 0 340.468 -0.202 20 0 EBADRP CN1CC[NH2+]C[C@@H]1C(=O)NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001342548292 843168736 /nfs/dbraw/zinc/16/87/36/843168736.db2.gz CNVKPCAXSOFMHD-QGZVFWFLSA-N 2 0 331.464 -0.388 20 0 EBADRP C[S@](=O)C1(C(=O)NCCCCCN2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001342679636 843173939 /nfs/dbraw/zinc/17/39/39/843173939.db2.gz SHVAPRILIOXISP-QHCPKHFHSA-N 2 0 344.525 -0.321 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001343454704 843238686 /nfs/dbraw/zinc/23/86/86/843238686.db2.gz WSXATSSBIQYFEV-HNNXBMFYSA-N 2 0 339.484 -0.673 20 0 EBADRP [NH3+]C[C@H](O)CC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001343489103 843241386 /nfs/dbraw/zinc/24/13/86/843241386.db2.gz WTPPEOGCAZSUEF-OAHLLOKOSA-N 2 0 340.468 -0.463 20 0 EBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001345199400 843374904 /nfs/dbraw/zinc/37/49/04/843374904.db2.gz YFZUSTMFYLQQDV-MCIONIFRSA-N 2 0 328.457 -0.284 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCC2CC[NH2+]CC2)n1 ZINC001346281943 843498199 /nfs/dbraw/zinc/49/81/99/843498199.db2.gz SYURFQJLOGJDQW-UHFFFAOYSA-N 2 0 336.440 -0.111 20 0 EBADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001347107822 843592939 /nfs/dbraw/zinc/59/29/39/843592939.db2.gz DBTPXGXZNSWDHN-JYJNAYRXSA-N 3 0 325.501 -0.237 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001348319452 843682081 /nfs/dbraw/zinc/68/20/81/843682081.db2.gz FYFJSEWENREACS-GXTWGEPZSA-N 2 0 326.441 -0.448 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC001348447877 843698783 /nfs/dbraw/zinc/69/87/83/843698783.db2.gz QSTPDKJRACHUAP-LSDHHAIUSA-N 2 0 339.484 -0.722 20 0 EBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)CC1 ZINC001348714505 843740617 /nfs/dbraw/zinc/74/06/17/843740617.db2.gz MURHXZZRUZFBKM-CQSZACIVSA-N 2 0 337.468 -0.826 20 0 EBADRP CC[NH+]1CCN(CCC(=O)N2CC(N3CC[NH+](CC)CC3)C2)CC1 ZINC001349483360 843909870 /nfs/dbraw/zinc/90/98/70/843909870.db2.gz BWDRSAOPSKHIJX-UHFFFAOYSA-N 2 0 337.512 -0.138 20 0 EBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCC[C@H](C)[NH3+])CC1 ZINC001349807835 843939713 /nfs/dbraw/zinc/93/97/13/843939713.db2.gz JTUGGUBTCLXVMT-AWEZNQCLSA-N 2 0 340.468 -0.057 20 0 EBADRP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574711744 949551109 /nfs/dbraw/zinc/55/11/09/949551109.db2.gz LBLSSQXVTFDMLE-VXGBXAGGSA-N 2 0 344.423 -0.106 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](CCN2C(=O)CCC2=O)C1 ZINC001691171015 1125840591 /nfs/dbraw/zinc/84/05/91/1125840591.db2.gz LOCUIJXNKUKXBR-AWEZNQCLSA-N 2 0 338.452 -0.086 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CC(=O)NC[C@H]2CCCO2)CC[N@@H+]1C ZINC001691324396 1125851214 /nfs/dbraw/zinc/85/12/14/1125851214.db2.gz DTVDRFBPZFPZFR-RBSFLKMASA-N 2 0 340.468 -0.330 20 0 EBADRP CCN1CCO[C@H](C(=O)N(C)CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001408575354 1125869951 /nfs/dbraw/zinc/86/99/51/1125869951.db2.gz VPXPYKGXIBJUGN-KBPBESRZSA-N 2 0 326.441 -0.767 20 0 EBADRP CNC(=O)NC(=O)CN1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001481031533 1125909650 /nfs/dbraw/zinc/90/96/50/1125909650.db2.gz XSPXSGOMKKVEKP-RYUDHWBXSA-N 2 0 325.413 -0.883 20 0 EBADRP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CCC(=O)NC1=O ZINC001481136613 1125929883 /nfs/dbraw/zinc/92/98/83/1125929883.db2.gz KDFZPWVZHWTTJE-MGPQQGTHSA-N 2 0 338.452 -0.040 20 0 EBADRP CNC(=O)c1cccc(C[NH2+]CCN(C)C(=O)[C@@H]2CN(C)CCO2)c1 ZINC001481217092 1125946120 /nfs/dbraw/zinc/94/61/20/1125946120.db2.gz BLYKNIRCUNDSAI-INIZCTEOSA-N 2 0 348.447 -0.075 20 0 EBADRP CC[C@H](C(=O)N(C)CC[NH2+]CC(=O)NC1CCOCC1)[NH+](C)C ZINC001481246108 1125951573 /nfs/dbraw/zinc/95/15/73/1125951573.db2.gz PUISXZYYIOULQU-CQSZACIVSA-N 2 0 328.457 -0.330 20 0 EBADRP CC(C)[C@H](C(=O)NCC[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001481447229 1125991639 /nfs/dbraw/zinc/99/16/39/1125991639.db2.gz OMMFUIWQDISGLP-TZMCWYRMSA-N 2 0 341.456 -0.404 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001481506417 1126005006 /nfs/dbraw/zinc/00/50/06/1126005006.db2.gz CRIKVDQJMBNGGM-STQMWFEESA-N 2 0 339.440 -0.554 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCCN(CCNS(C)(=O)=O)C2)C1 ZINC001481537107 1126009992 /nfs/dbraw/zinc/00/99/92/1126009992.db2.gz DKPBLYBFXSFYQG-KGLIPLIRSA-N 2 0 346.497 -0.542 20 0 EBADRP C[C@@H](C(=O)N(C)CC[NH2+]CCNS(C)(=O)=O)[NH+]1CCCCCC1 ZINC001691500255 1126030483 /nfs/dbraw/zinc/03/04/83/1126030483.db2.gz LIPRMQGYTKIDSL-AWEZNQCLSA-N 2 0 348.513 -0.152 20 0 EBADRP CC[C@@H](C(=O)NCC1C[NH+](CCCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001481647472 1126030700 /nfs/dbraw/zinc/03/07/00/1126030700.db2.gz ZHHHVXIZRBKMMA-ZDUSSCGKSA-N 2 0 339.440 -0.684 20 0 EBADRP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001481847838 1126061382 /nfs/dbraw/zinc/06/13/82/1126061382.db2.gz JBACZPUELXOTTM-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001481861126 1126062648 /nfs/dbraw/zinc/06/26/48/1126062648.db2.gz ITGCXZCASSZAJA-OLZOCXBDSA-N 2 0 341.456 -0.214 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)C(=O)NC(N)=O)[NH+](C)C ZINC001482058321 1126074679 /nfs/dbraw/zinc/07/46/79/1126074679.db2.gz WIEFVPXTXZDLAF-XQQFMLRXSA-N 2 0 341.456 -0.263 20 0 EBADRP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001482111080 1126079303 /nfs/dbraw/zinc/07/93/03/1126079303.db2.gz ZTKYGQDYQAPQHF-STQMWFEESA-N 2 0 338.456 -0.175 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482160121 1126088935 /nfs/dbraw/zinc/08/89/35/1126088935.db2.gz ZDYFXPVFVBATPS-VXGBXAGGSA-N 2 0 327.429 -0.874 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001482284682 1126119157 /nfs/dbraw/zinc/11/91/57/1126119157.db2.gz QJLFGXBCXUHGNF-LBPRGKRZSA-N 2 0 341.456 -0.118 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482316186 1126129592 /nfs/dbraw/zinc/12/95/92/1126129592.db2.gz FRMGQBGMMVYPJZ-NSHDSACASA-N 2 0 327.429 -0.508 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001409053454 1126166239 /nfs/dbraw/zinc/16/62/39/1126166239.db2.gz LYHOVSDPHOHNNN-TZMCWYRMSA-N 2 0 328.432 -0.055 20 0 EBADRP Cc1nc(CNC[C@@H](O)CNC(=O)[C@@H]2CN(C)CCO2)cs1 ZINC001482719178 1126257588 /nfs/dbraw/zinc/25/75/88/1126257588.db2.gz UWBMDPLYPFBIBF-OLZOCXBDSA-N 2 0 328.438 -0.651 20 0 EBADRP Cc1nc(CNC[C@H](O)CNC(=O)[C@H]2CN(C)CCO2)c(C)o1 ZINC001482719658 1126257601 /nfs/dbraw/zinc/25/76/01/1126257601.db2.gz YGMQCMDKNDIJMX-GXTWGEPZSA-N 2 0 326.397 -0.811 20 0 EBADRP CCn1nncc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482729788 1126269064 /nfs/dbraw/zinc/26/90/64/1126269064.db2.gz QMIGDUFINAUBQL-HUUCEWRRSA-N 2 0 336.440 -0.794 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001482738371 1126272228 /nfs/dbraw/zinc/27/22/28/1126272228.db2.gz FCBQXZRUMGYCKM-KGLIPLIRSA-N 2 0 326.441 -0.840 20 0 EBADRP Cc1c(C(=O)NC[C@H](O)C[NH2+][C@@H]2CCN(C)C2=O)ccc2c[nH+]cn21 ZINC001482745738 1126275902 /nfs/dbraw/zinc/27/59/02/1126275902.db2.gz WBGPDCSNPUUXKT-UKRRQHHQSA-N 2 0 345.403 -0.446 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCCCCC2)C1 ZINC001482790374 1126292064 /nfs/dbraw/zinc/29/20/64/1126292064.db2.gz AXRRINAQNZNIQV-HUUCEWRRSA-N 2 0 340.468 -0.593 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001482868014 1126299235 /nfs/dbraw/zinc/29/92/35/1126299235.db2.gz ONTRYIKHYVJXAI-NWDGAFQWSA-N 2 0 341.456 -0.343 20 0 EBADRP C[C@@H](CC[NH2+]CCN1C(=O)CNC1=O)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482887933 1126299989 /nfs/dbraw/zinc/29/99/89/1126299989.db2.gz GGZSVYYCBIYDRT-STQMWFEESA-N 2 0 339.440 -0.636 20 0 EBADRP CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]CC(=O)NC(N)=O)[NH+]1CCCC1 ZINC001482900559 1126300357 /nfs/dbraw/zinc/30/03/57/1126300357.db2.gz DEBKZTOZRBIOPN-TZMCWYRMSA-N 2 0 341.456 -0.214 20 0 EBADRP C[C@H](CC[NH2+][C@H](C)C(N)=O)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001482845119 1126297610 /nfs/dbraw/zinc/29/76/10/1126297610.db2.gz CQFSYSUFFANGKG-CHWSQXEVSA-N 2 0 328.457 -0.297 20 0 EBADRP CCN(CC[NH2+]CC(=O)N1CCO[C@@H](C)C1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001482913777 1126302385 /nfs/dbraw/zinc/30/23/85/1126302385.db2.gz CAYATPGAOIHUOB-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+][C@H](C)C(=O)NC(N)=O)CC[N@@H+]1C ZINC001482924007 1126302698 /nfs/dbraw/zinc/30/26/98/1126302698.db2.gz CAYWHWYFJFHKLU-FRRDWIJNSA-N 2 0 341.456 -0.262 20 0 EBADRP CCN(CC[NH2+]CC(=O)NC(=O)NC)C(=O)C1CC[NH+](C)CC1 ZINC001482947518 1126305379 /nfs/dbraw/zinc/30/53/79/1126305379.db2.gz KWZGPIJNVDQADZ-UHFFFAOYSA-N 2 0 327.429 -0.778 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001691540805 1126308300 /nfs/dbraw/zinc/30/83/00/1126308300.db2.gz HHPLIDHLGQLXLG-MGPQQGTHSA-N 2 0 346.497 -0.638 20 0 EBADRP C[C@H]([NH2+]C/C=C/CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(=O)NC(N)=O ZINC001483023275 1126314278 /nfs/dbraw/zinc/31/42/78/1126314278.db2.gz XBGLHGJKZLDIOH-GFSGRHGLSA-N 2 0 339.440 -0.294 20 0 EBADRP C[C@H]([NH2+]C/C=C\CNC(=O)C(C)(C)C[NH+]1CCOCC1)C(N)=O ZINC001483024710 1126314735 /nfs/dbraw/zinc/31/47/35/1126314735.db2.gz XJVVFUOJLDBQIR-ZFDPJTLLSA-N 2 0 326.441 -0.519 20 0 EBADRP CN(CC[NH2+]CC(=O)NC[C@H]1CCOC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001691556862 1126321730 /nfs/dbraw/zinc/32/17/30/1126321730.db2.gz ZLPXCRFLRIJRHZ-HUUCEWRRSA-N 2 0 340.468 -0.471 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001691603275 1126325257 /nfs/dbraw/zinc/32/52/57/1126325257.db2.gz XVGMTEBZTAJHIO-ZIAGYGMSSA-N 2 0 326.441 -0.767 20 0 EBADRP Cn1ccc(N2CC[C@@H]([NH2+]C/C=C/CNC(=O)CC[NH+](C)C)C2=O)n1 ZINC001483054717 1126326472 /nfs/dbraw/zinc/32/64/72/1126326472.db2.gz QUUVQSQQYRUJOC-ISZGNANSSA-N 2 0 348.451 -0.261 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NC(=O)NCC ZINC001483133178 1126343135 /nfs/dbraw/zinc/34/31/35/1126343135.db2.gz SGPWFJARJPSVPC-OLZOCXBDSA-N 2 0 341.456 -0.199 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001483167626 1126349347 /nfs/dbraw/zinc/34/93/47/1126349347.db2.gz RZMZVSPKLUVTNI-WOPDTQHZSA-N 2 0 329.445 -0.345 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483184975 1126351168 /nfs/dbraw/zinc/35/11/68/1126351168.db2.gz ZBGSDZOQAJDCDT-GFCCVEGCSA-N 2 0 339.440 -0.588 20 0 EBADRP C[C@@H](C[N@H+](C)CCN1CCCC1=O)NC(=O)CCN1CCOCC1 ZINC001483397734 1126423973 /nfs/dbraw/zinc/42/39/73/1126423973.db2.gz VBAIEDWOFGFUST-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC(=O)NC(=O)NC ZINC001483468613 1126429344 /nfs/dbraw/zinc/42/93/44/1126429344.db2.gz DGOCAZFERSOKJD-ZDUSSCGKSA-N 2 0 341.456 -0.246 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]CC(=O)N1CCOCC1)C1CC1 ZINC001483605721 1126439489 /nfs/dbraw/zinc/43/94/89/1126439489.db2.gz QSJBWVRJKQNCMW-OAHLLOKOSA-N 2 0 338.452 -0.575 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NCC2([NH2+][C@@H]3CCCNC3=O)CC2)n1 ZINC001483734983 1126465455 /nfs/dbraw/zinc/46/54/55/1126465455.db2.gz JHPFVLXFCYRUGE-CYBMUJFWSA-N 2 0 348.451 -0.425 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1([NH2+][C@H]2CCCNC2=O)CC1 ZINC001483791220 1126477602 /nfs/dbraw/zinc/47/76/02/1126477602.db2.gz SJFMFRLCHQPPAR-KGLIPLIRSA-N 2 0 338.452 -0.528 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001483944595 1126491931 /nfs/dbraw/zinc/49/19/31/1126491931.db2.gz BZOAVPBKPRHDMJ-OLZOCXBDSA-N 2 0 339.440 -0.636 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCN([C@@H]2CC[NH+](CCO)C2)CC1 ZINC001484026805 1126499212 /nfs/dbraw/zinc/49/92/12/1126499212.db2.gz XAGSBPHQUGITIP-MRXNPFEDSA-N 2 0 326.485 -0.071 20 0 EBADRP CN(C)C(=O)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCOCC1 ZINC001484191247 1126512989 /nfs/dbraw/zinc/51/29/89/1126512989.db2.gz MCWLWTRDBSVPSC-UHFFFAOYSA-N 2 0 326.441 -0.575 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CC(=O)NC(N)=O)C2 ZINC001484321573 1126563187 /nfs/dbraw/zinc/56/31/87/1126563187.db2.gz NPENFULQQZZHEN-XQQFMLRXSA-N 2 0 339.440 -0.508 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[N@H+](CCOCCO)C[C@@H]2C1 ZINC001484407205 1126568175 /nfs/dbraw/zinc/56/81/75/1126568175.db2.gz RMZODVMWELTSJH-IXDOHACOSA-N 2 0 337.464 -0.273 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)N(CCO)CC[NH2+][C@H]2CCNC2=O)C1 ZINC001484491485 1126594078 /nfs/dbraw/zinc/59/40/78/1126594078.db2.gz RLZCBJJLWLKFEQ-GJZGRUSLSA-N 2 0 340.468 -0.593 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)C[NH+]1CCC(C)CC1 ZINC001484497610 1126598029 /nfs/dbraw/zinc/59/80/29/1126598029.db2.gz RDKONRQMUABOPD-AWEZNQCLSA-N 2 0 328.457 -0.737 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001484571370 1126604246 /nfs/dbraw/zinc/60/42/46/1126604246.db2.gz AFGJXNYMQWDNIP-JOCQHMNTSA-N 2 0 341.456 -0.342 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCO1 ZINC001484680698 1126616500 /nfs/dbraw/zinc/61/65/00/1126616500.db2.gz PAXYCPLTNQUDFS-HUUCEWRRSA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+]1CCC(CC(=O)N2CCO[C@H](C[NH2+]CCOCCO)C2)CC1 ZINC001484691735 1126619833 /nfs/dbraw/zinc/61/98/33/1126619833.db2.gz SMEQCTFVKVQRDH-MRXNPFEDSA-N 2 0 343.468 -0.456 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001484682824 1126620773 /nfs/dbraw/zinc/62/07/73/1126620773.db2.gz VVEPOHRUCFNBBF-KBPBESRZSA-N 2 0 326.441 -0.591 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001484686437 1126621730 /nfs/dbraw/zinc/62/17/30/1126621730.db2.gz UGAXXLDPWNDWFA-ZDUSSCGKSA-N 2 0 326.441 -0.767 20 0 EBADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1)C(=O)N(C)C ZINC001484700158 1126622798 /nfs/dbraw/zinc/62/27/98/1126622798.db2.gz XHHSBSHONQJZFH-UONOGXRCSA-N 2 0 326.441 -0.624 20 0 EBADRP C[C@H]([NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1)C(=O)N(C)C ZINC001484700156 1126622837 /nfs/dbraw/zinc/62/28/37/1126622837.db2.gz XHHSBSHONQJZFH-KBPBESRZSA-N 2 0 326.441 -0.624 20 0 EBADRP CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]CCN2CCCC2=O)C1)[NH+](C)C ZINC001484695221 1126624496 /nfs/dbraw/zinc/62/44/96/1126624496.db2.gz AOSSYEGRGNJIEV-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)[C@H](C(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001484857364 1126645604 /nfs/dbraw/zinc/64/56/04/1126645604.db2.gz YINBWZQOQLUQAH-NVXWUHKLSA-N 2 0 340.468 -0.465 20 0 EBADRP Cn1nncc1C[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001484871881 1126647824 /nfs/dbraw/zinc/64/78/24/1126647824.db2.gz KDFMUQKZHDVEMU-ZDUSSCGKSA-N 2 0 336.440 -0.478 20 0 EBADRP COCCC[NH+]1CC(N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001484946651 1126656294 /nfs/dbraw/zinc/65/62/94/1126656294.db2.gz OTGRJKJXJVQDKH-UHFFFAOYSA-N 2 0 336.480 -0.053 20 0 EBADRP C[C@H](O)C[NH2+]CC1(O)CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001484961750 1126656511 /nfs/dbraw/zinc/65/65/11/1126656511.db2.gz LGKSRYMEHFCJMS-AWEZNQCLSA-N 2 0 343.468 -0.579 20 0 EBADRP O=C(NC1CC(C[NH2+]CCN2CCNC2=O)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001485109076 1126675514 /nfs/dbraw/zinc/67/55/14/1126675514.db2.gz MSHQHFGCSRXRBL-JMLCCBQJSA-N 2 0 349.479 -0.018 20 0 EBADRP C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001485147965 1126676679 /nfs/dbraw/zinc/67/66/79/1126676679.db2.gz SJXZQLNWCRKOEH-RYUDHWBXSA-N 2 0 341.456 -0.071 20 0 EBADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@H+](C)CCN1C(=O)CCC1=O ZINC001485343547 1126691210 /nfs/dbraw/zinc/69/12/10/1126691210.db2.gz GNLGGULJUXLOCK-CYBMUJFWSA-N 2 0 338.452 -0.086 20 0 EBADRP CN(CC[NH2+]CC(=O)NC[C@@H]1CCOC1)C(=O)C1([NH+](C)C)CCC1 ZINC001493574182 1126702302 /nfs/dbraw/zinc/70/23/02/1126702302.db2.gz DAEMQQMHSRFOCC-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP CCN1CCO[C@H](C(=O)N(CCO)CCNCc2cnns2)C1 ZINC001672712171 1126864206 /nfs/dbraw/zinc/86/42/06/1126864206.db2.gz BWSWEJHJMVLMEP-ZDUSSCGKSA-N 2 0 343.453 -0.831 20 0 EBADRP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CC(=O)N1CCO[C@H](C)C1)[NH+](C)C ZINC001493586632 1126879993 /nfs/dbraw/zinc/87/99/93/1126879993.db2.gz ZIRWDDHQQLLGMC-ZBFHGGJFSA-N 2 0 342.484 -0.132 20 0 EBADRP C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1C[NH+](CCN2CCNC2=O)C1 ZINC001409944458 1126889763 /nfs/dbraw/zinc/88/97/63/1126889763.db2.gz OYBXYJPRBYOYLE-UONOGXRCSA-N 2 0 337.468 -0.210 20 0 EBADRP Cc1noc(CCC[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001485982692 1126948177 /nfs/dbraw/zinc/94/81/77/1126948177.db2.gz NMPFBWSQTQPFRQ-CHWSQXEVSA-N 2 0 325.413 -0.528 20 0 EBADRP CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001486041210 1126988202 /nfs/dbraw/zinc/98/82/02/1126988202.db2.gz MBMJOATWXIGLQV-GJZGRUSLSA-N 2 0 340.468 -0.594 20 0 EBADRP CCN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)C[N@H+](C)CC(C)(C)C)C1=O ZINC001486033071 1127003203 /nfs/dbraw/zinc/00/32/03/1127003203.db2.gz FROPLCCMAGWPGH-ZIAGYGMSSA-N 2 0 342.484 -0.348 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC2CCCC2)C1 ZINC001486061222 1127010929 /nfs/dbraw/zinc/01/09/29/1127010929.db2.gz JOOPVAVCBBVIOP-JSGCOSHPSA-N 2 0 326.441 -0.936 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC001486052115 1127021276 /nfs/dbraw/zinc/02/12/76/1127021276.db2.gz YUFYIAVZWNRLAJ-UONOGXRCSA-N 2 0 342.484 -0.206 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001486133363 1127044362 /nfs/dbraw/zinc/04/43/62/1127044362.db2.gz BJXVPNDPNLUHDT-OLZOCXBDSA-N 2 0 341.456 -0.249 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@@]2(NC(=O)CCN3CCOCC3)CCC[C@@H]12 ZINC001486147796 1127047977 /nfs/dbraw/zinc/04/79/77/1127047977.db2.gz QLEUWNSJCSOBFK-PBHICJAKSA-N 2 0 338.452 -0.432 20 0 EBADRP CS(=O)(=O)NCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001486222165 1127064518 /nfs/dbraw/zinc/06/45/18/1127064518.db2.gz XLJXDQKPADUBIN-KGLIPLIRSA-N 2 0 346.497 -0.494 20 0 EBADRP CN(C[C@H](O)C[NH2+]Cc1ccnn1C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001486277915 1127073784 /nfs/dbraw/zinc/07/37/84/1127073784.db2.gz JVOATDBJAQPMOJ-CVEARBPZSA-N 2 0 335.452 -0.329 20 0 EBADRP CN(C[C@H](O)C[NH2+]Cc1ccnn1C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001486277917 1127074071 /nfs/dbraw/zinc/07/40/71/1127074071.db2.gz JVOATDBJAQPMOJ-HZPDHXFCSA-N 2 0 335.452 -0.329 20 0 EBADRP CN(C[C@H](O)C[NH2+][C@H]1CCCNC1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001486281809 1127078430 /nfs/dbraw/zinc/07/84/30/1127078430.db2.gz VHKGNTIDJONZIQ-OLZOCXBDSA-N 2 0 326.441 -0.842 20 0 EBADRP CN(C[C@H](O)C[NH2+]CC(=O)NCC1CC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001486284870 1127081926 /nfs/dbraw/zinc/08/19/26/1127081926.db2.gz LGFDGOJJKDCCRT-HUUCEWRRSA-N 2 0 340.468 -0.594 20 0 EBADRP CN(C[C@H](O)C[NH2+]Cc1ccsc1)C(=O)[C@H]1CN(C)CCO1 ZINC001486266351 1127089822 /nfs/dbraw/zinc/08/98/22/1127089822.db2.gz DZMYLRKLIRKUIO-ZIAGYGMSSA-N 2 0 327.450 -0.012 20 0 EBADRP CN(C[C@H](O)C[NH2+]Cc1ccsc1)C(=O)[C@@H]1CN(C)CCO1 ZINC001486266349 1127090011 /nfs/dbraw/zinc/09/00/11/1127090011.db2.gz DZMYLRKLIRKUIO-KGLIPLIRSA-N 2 0 327.450 -0.012 20 0 EBADRP CC(C)[C@@H](C(=O)N(C)C1CC([NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001486467498 1127180906 /nfs/dbraw/zinc/18/09/06/1127180906.db2.gz RKMSDLODNKKXBE-XIVSLSHWSA-N 2 0 327.429 -0.654 20 0 EBADRP CN(C[C@@H]1CCCN1C(=O)CC[NH+](C)C)C(=O)[C@H]1CN(C)CCO1 ZINC001486569942 1127208333 /nfs/dbraw/zinc/20/83/33/1127208333.db2.gz KJZAHNXMDIRQGQ-LSDHHAIUSA-N 2 0 340.468 -0.282 20 0 EBADRP CN(CC[NH2+]C[C@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001493600927 1127218222 /nfs/dbraw/zinc/21/82/22/1127218222.db2.gz SJMZWPWEOJTWHN-ZIAGYGMSSA-N 2 0 331.482 -0.047 20 0 EBADRP CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001410144249 1127607383 /nfs/dbraw/zinc/60/73/83/1127607383.db2.gz BYHQQWBHWWYSOZ-KBPBESRZSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H]([NH2+]CC(=O)N1CCCC1)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001410155487 1127616964 /nfs/dbraw/zinc/61/69/64/1127616964.db2.gz IDSJLMVQBFPHBX-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]([NH2+]CC(=O)N1CCC1)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001410164678 1127623348 /nfs/dbraw/zinc/62/33/48/1127623348.db2.gz PFWWILPQXVBVKO-KGLIPLIRSA-N 2 0 326.441 -0.624 20 0 EBADRP C[C@@H](CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CC(=O)N(C)C ZINC001410519661 1127733494 /nfs/dbraw/zinc/73/34/94/1127733494.db2.gz ZOARVKJPMKSKDW-KBPBESRZSA-N 2 0 328.457 -0.521 20 0 EBADRP CC[C@H]([NH2+][C@@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001410673470 1127805307 /nfs/dbraw/zinc/80/53/07/1127805307.db2.gz SHIRUHBOBJJGSR-OLZOCXBDSA-N 2 0 326.441 -0.807 20 0 EBADRP CC[C@@H]([NH2+][C@@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001410673448 1127805339 /nfs/dbraw/zinc/80/53/39/1127805339.db2.gz SHIRUHBOBJJGSR-CHWSQXEVSA-N 2 0 326.441 -0.807 20 0 EBADRP Cc1nnc([C@@H](C)N[C@@H](CO)CNC(=O)C23CCC[NH+]2CCC3)[nH]1 ZINC001410681904 1127810467 /nfs/dbraw/zinc/81/04/67/1127810467.db2.gz CWDQRHPHFLSTFD-DGCLKSJQSA-N 2 0 336.440 -0.131 20 0 EBADRP CN1CCO[C@@H](C(=O)NC2(CNC(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001410772502 1127877761 /nfs/dbraw/zinc/87/77/61/1127877761.db2.gz XQFKQNCKQFQLEH-CQSZACIVSA-N 2 0 338.452 -0.576 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001410930181 1127945837 /nfs/dbraw/zinc/94/58/37/1127945837.db2.gz BGIIWZMGKLIUJT-VXGBXAGGSA-N 2 0 339.440 -0.602 20 0 EBADRP C[C@H]([NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C)C(=O)NC(N)=O ZINC001410975149 1127957314 /nfs/dbraw/zinc/95/73/14/1127957314.db2.gz HHOGYOCQJBGCOJ-QWRGUYRKSA-N 2 0 327.429 -0.652 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001410978518 1127958221 /nfs/dbraw/zinc/95/82/21/1127958221.db2.gz ZKEYJECHHKDPHW-STQMWFEESA-N 2 0 338.456 -0.175 20 0 EBADRP NC(=O)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C(F)(F)F ZINC001411020072 1127977131 /nfs/dbraw/zinc/97/71/31/1127977131.db2.gz OWMJWKSVICPFAF-QWRGUYRKSA-N 2 0 336.358 -0.206 20 0 EBADRP CCCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001411075341 1128003345 /nfs/dbraw/zinc/00/33/45/1128003345.db2.gz BGYHUZAQFYGYBD-KKUMJFAQSA-N 2 0 342.484 -0.348 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N1CCCCC1 ZINC001411135200 1128031496 /nfs/dbraw/zinc/03/14/96/1128031496.db2.gz XSXXMYWYFHRXDM-OAHLLOKOSA-N 2 0 342.484 -0.252 20 0 EBADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001135441007 1128136648 /nfs/dbraw/zinc/13/66/48/1128136648.db2.gz XGJKSHZCWCGESX-GFCCVEGCSA-N 2 0 329.445 -0.212 20 0 EBADRP CN(C)[C@H](Cn1cccn1)C(=O)N1C[C@H]2C[N@H+](CCO)C[C@@]2(C)C1 ZINC001091736790 1128150972 /nfs/dbraw/zinc/15/09/72/1128150972.db2.gz COBXLZDIEUCCEO-INMHGKMJSA-N 2 0 335.452 -0.414 20 0 EBADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203215 1128214804 /nfs/dbraw/zinc/21/48/04/1128214804.db2.gz IKJYAYGBYVTQTM-CPUCHLNUSA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@H+](CCN1CCNC1=O)C2 ZINC001092275418 1128220499 /nfs/dbraw/zinc/22/04/99/1128220499.db2.gz ARRXGYVQCVFBKU-QAPCUYQASA-N 2 0 349.479 -0.112 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]C[C@H]3CCOC3)nn2)C1 ZINC001093308897 1128323294 /nfs/dbraw/zinc/32/32/94/1128323294.db2.gz OHOAQXJHGZLPST-CJNGLKHVSA-N 2 0 348.451 -0.118 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001488079624 1128614084 /nfs/dbraw/zinc/61/40/84/1128614084.db2.gz GTNOWYJKWAGLHS-LSDHHAIUSA-N 2 0 340.468 -0.737 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001488729066 1128832668 /nfs/dbraw/zinc/83/26/68/1128832668.db2.gz BJNCAVOHBNHOLA-FRRDWIJNSA-N 2 0 339.440 -0.462 20 0 EBADRP C[NH+]1CCC(OCC(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001488869841 1128869482 /nfs/dbraw/zinc/86/94/82/1128869482.db2.gz PDSRNWSMUQWNLY-UMVBOHGHSA-N 2 0 338.452 -0.530 20 0 EBADRP CNC(=O)[C@@H](C)[N@H+](C)CCOCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001489218838 1128934584 /nfs/dbraw/zinc/93/45/84/1128934584.db2.gz NDULQAXYFHYZJH-CQSZACIVSA-N 2 0 340.468 -0.377 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH+](CCN2CCNC2=O)C2CC2)C1 ZINC001490394790 1129171112 /nfs/dbraw/zinc/17/11/12/1129171112.db2.gz ZCBCHYGPLYRQOB-CQSZACIVSA-N 2 0 337.468 -0.066 20 0 EBADRP CO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001414041366 1131344017 /nfs/dbraw/zinc/34/40/17/1131344017.db2.gz WCDCYROSDDMWDQ-RRFJBIMHSA-N 2 0 340.468 -0.378 20 0 EBADRP C[C@H](O)C[NH+]1CCN(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001490506264 1129212784 /nfs/dbraw/zinc/21/27/84/1129212784.db2.gz APADVMZMABZGOZ-INIZCTEOSA-N 2 0 326.485 -0.167 20 0 EBADRP Cn1[nH]c(C[NH2+][C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C2CC2)nc1=O ZINC001490664010 1129242649 /nfs/dbraw/zinc/24/26/49/1129242649.db2.gz CAZQJPIAYLNVSJ-KGLIPLIRSA-N 2 0 348.451 -0.565 20 0 EBADRP C[C@@H](NC(=O)CCN1CCOCC1)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001411419278 1129291386 /nfs/dbraw/zinc/29/13/86/1129291386.db2.gz IMKYZPVIVUSZML-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[C@@H](C(=O)N1CC(CCO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC001411738183 1129359975 /nfs/dbraw/zinc/35/99/75/1129359975.db2.gz CUXJJQAEIATYPR-UONOGXRCSA-N 2 0 340.468 -0.500 20 0 EBADRP CCN(C)C(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001493192005 1129611702 /nfs/dbraw/zinc/61/17/02/1129611702.db2.gz YPUSXONBKZWEDR-KGLIPLIRSA-N 2 0 326.441 -0.767 20 0 EBADRP CCN(C)C(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001493192008 1129611847 /nfs/dbraw/zinc/61/18/47/1129611847.db2.gz YPUSXONBKZWEDR-UONOGXRCSA-N 2 0 326.441 -0.767 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001490852738 1129685318 /nfs/dbraw/zinc/68/53/18/1129685318.db2.gz ZXSONVZGBIMNGP-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001691742667 1129715291 /nfs/dbraw/zinc/71/52/91/1129715291.db2.gz FXPMCZSPIIOWKE-MELADBBJSA-N 2 0 346.497 -0.638 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)NC(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC001412875645 1129752954 /nfs/dbraw/zinc/75/29/54/1129752954.db2.gz ZJIWXROENXEWJK-SOUVJXGZSA-N 2 0 340.468 -0.594 20 0 EBADRP O=C(CC[NH+]1CCCCC1)NC[C@H](CO)NC(=O)C[NH+]1CCCC1 ZINC001412884018 1129757452 /nfs/dbraw/zinc/75/74/52/1129757452.db2.gz QYSNFUOFPBUWJD-OAHLLOKOSA-N 2 0 340.468 -0.449 20 0 EBADRP Cc1c(C(=O)NC[C@@H](CO)NC(=O)CC[NH+](C)C)ccc2c[nH+]cn21 ZINC001412909461 1129776255 /nfs/dbraw/zinc/77/62/55/1129776255.db2.gz RFMLLDQCALLDAP-ZDUSSCGKSA-N 2 0 347.419 -0.199 20 0 EBADRP CC1CC[NH+](CC(=O)NC[C@H](CO)NC(=O)C[NH+]2CCCC2)CC1 ZINC001412959708 1129816963 /nfs/dbraw/zinc/81/69/63/1129816963.db2.gz BUHHXHJDJJDGAN-OAHLLOKOSA-N 2 0 340.468 -0.593 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N[C@H](CO)CNC(=O)CC[NH+](C)C ZINC001412974365 1129829266 /nfs/dbraw/zinc/82/92/66/1129829266.db2.gz SGQPDYIJFNSHPW-LBPRGKRZSA-N 2 0 337.424 -0.694 20 0 EBADRP CC[C@@H](C(=O)NC[C@H](CO)NC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC001412999279 1129849764 /nfs/dbraw/zinc/84/97/64/1129849764.db2.gz VHHRJVHISFXQQK-RDBSUJKOSA-N 2 0 328.457 -0.596 20 0 EBADRP C[NH+]1CCN(C2CC[NH+](C[C@H](O)C3(O)CCOCC3)CC2)CC1 ZINC001413050779 1129893102 /nfs/dbraw/zinc/89/31/02/1129893102.db2.gz UYPWQJCETJUQNE-INIZCTEOSA-N 2 0 327.469 -0.399 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)c2[nH]c(=O)[nH]c(=O)c2N)C[C@H]1C[NH+](C)C ZINC001413414779 1130078424 /nfs/dbraw/zinc/07/84/24/1130078424.db2.gz YOZJRQCNTNAGRE-NXEZZACHSA-N 2 0 338.412 -0.719 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCNS(C)(=O)=O)C2)CC1 ZINC001490924546 1130266157 /nfs/dbraw/zinc/26/61/57/1130266157.db2.gz DYTJPNRQMXGHOV-JOCQHMNTSA-N 2 0 332.470 -0.886 20 0 EBADRP CN1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC(C)(C)C)C2)C1 ZINC001491005371 1130285219 /nfs/dbraw/zinc/28/52/19/1130285219.db2.gz XHQXOIVBPGHHHY-HZSPNIEDSA-N 2 0 340.468 -0.284 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)Nc3cnccn3)C2)C1 ZINC001491078979 1130313960 /nfs/dbraw/zinc/31/39/60/1130313960.db2.gz CJXJNUYQMKGHGW-UPJWGTAASA-N 2 0 332.408 -0.396 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001491073859 1130315451 /nfs/dbraw/zinc/31/54/51/1130315451.db2.gz WPBBWILNQCXNKC-KFWWJZLASA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC001491296907 1130388730 /nfs/dbraw/zinc/38/87/30/1130388730.db2.gz GPMVEHZUCDDRDW-UONOGXRCSA-N 2 0 348.513 -0.296 20 0 EBADRP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC(=O)NC(N)=O ZINC001491496470 1130472052 /nfs/dbraw/zinc/47/20/52/1130472052.db2.gz XAFGCTCCXFVDHA-NSHDSACASA-N 2 0 325.413 -0.848 20 0 EBADRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCN1CCNC1=O ZINC001491545288 1130495965 /nfs/dbraw/zinc/49/59/65/1130495965.db2.gz BIFZNIFXHDGGPN-CYBMUJFWSA-N 2 0 325.457 -0.020 20 0 EBADRP C[N@@H+]1CCCN(CCNC(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)CC1 ZINC001220303755 1130525075 /nfs/dbraw/zinc/52/50/75/1130525075.db2.gz BRGGADKSVQYSME-IAGOWNOFSA-N 2 0 337.512 -0.186 20 0 EBADRP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCN1C(=O)CNC1=O ZINC001491992271 1130574319 /nfs/dbraw/zinc/57/43/19/1130574319.db2.gz QCWOVUKYXZWAMI-NEPJUHHUSA-N 2 0 325.413 -0.883 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC(N)=O)C1 ZINC001492071850 1130579462 /nfs/dbraw/zinc/57/94/62/1130579462.db2.gz FNBURRDBZMVJDE-OLZOCXBDSA-N 2 0 341.456 -0.212 20 0 EBADRP C[C@H](CCNC(=O)COC1CC[NH+](C)CC1)[NH2+]Cc1nnnn1C ZINC001492105791 1130582193 /nfs/dbraw/zinc/58/21/93/1130582193.db2.gz ZJISCRZLPIOUOV-GFCCVEGCSA-N 2 0 339.444 -0.695 20 0 EBADRP C[C@](C[NH2+][C@@H]1CCC(=O)NC1=O)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001318726762 1130689319 /nfs/dbraw/zinc/68/93/19/1130689319.db2.gz BNVCWMVVPROGKU-CXAGYDPISA-N 2 0 348.447 -0.238 20 0 EBADRP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001480530720 1130826494 /nfs/dbraw/zinc/82/64/94/1130826494.db2.gz MYDFJCYFUNVPIP-GHMZBOCLSA-N 2 0 327.429 -0.591 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1O ZINC001413969927 1130873934 /nfs/dbraw/zinc/87/39/34/1130873934.db2.gz QKPWALJFKJECGO-QLFBSQMISA-N 2 0 342.484 -0.254 20 0 EBADRP COc1cc(NCCC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)ncn1 ZINC001357241743 1131061081 /nfs/dbraw/zinc/06/10/81/1131061081.db2.gz KPMGTEQQFTVOHB-CQSZACIVSA-N 2 0 338.456 -0.515 20 0 EBADRP [NH3+]CCCSCCC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001357413817 1131081883 /nfs/dbraw/zinc/08/18/83/1131081883.db2.gz JTXGVKITVLJZFX-HNNXBMFYSA-N 2 0 344.525 -0.019 20 0 EBADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001362364269 1131568666 /nfs/dbraw/zinc/56/86/66/1131568666.db2.gz BWNPRSQIBQJTLX-ARFHVFGLSA-N 2 0 326.485 -0.026 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)CCn2cnccc2=O)C[C@H]1C[NH+](C)C ZINC001363514522 1131985286 /nfs/dbraw/zinc/98/52/86/1131985286.db2.gz VLWSJDHXYAKTMW-HUUCEWRRSA-N 2 0 335.452 -0.169 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@H]1CCCC[NH+]1CCO ZINC001364214881 1132240470 /nfs/dbraw/zinc/24/04/70/1132240470.db2.gz UGQFLKZJQIYOTR-CABCVRRESA-N 2 0 327.473 -0.622 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@H]1CCCC[NH+]1CCO ZINC001364214890 1132240711 /nfs/dbraw/zinc/24/07/11/1132240711.db2.gz UGQFLKZJQIYOTR-HUUCEWRRSA-N 2 0 327.473 -0.622 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC001364214893 1132240929 /nfs/dbraw/zinc/24/09/29/1132240929.db2.gz UGQFLKZJQIYOTR-LSDHHAIUSA-N 2 0 327.473 -0.622 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC001365558838 1132721045 /nfs/dbraw/zinc/72/10/45/1132721045.db2.gz VIDXDFPVEZTAJQ-HUUCEWRRSA-N 2 0 327.473 -0.622 20 0 EBADRP C[C@H](O)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001365870739 1132848400 /nfs/dbraw/zinc/84/84/00/1132848400.db2.gz GTEYSNWVOOLJEW-NSHDSACASA-N 2 0 335.408 -0.635 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([NH2+]CCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001366092841 1132999568 /nfs/dbraw/zinc/99/95/68/1132999568.db2.gz OSDFVINMPJBEMH-IHRRRGAJSA-N 2 0 331.482 -0.048 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001366096210 1133001012 /nfs/dbraw/zinc/00/10/12/1133001012.db2.gz ARDYFWQGIUKJCB-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001366112153 1133011429 /nfs/dbraw/zinc/01/14/29/1133011429.db2.gz KDTAZROZDXASEK-FIQHERPVSA-N 2 0 345.419 -0.514 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001366137518 1133022519 /nfs/dbraw/zinc/02/25/19/1133022519.db2.gz XIOQPNBRXJSESW-FDYHWXHSSA-N 2 0 339.440 -0.591 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001366137991 1133022736 /nfs/dbraw/zinc/02/27/36/1133022736.db2.gz XIOQPNBRXJSESW-YVECIDJPSA-N 2 0 339.440 -0.591 20 0 EBADRP O=C(C[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)NCC(F)(F)F ZINC001366137995 1133022815 /nfs/dbraw/zinc/02/28/15/1133022815.db2.gz XLYOTMBMMHTGBP-XYPYZODXSA-N 2 0 348.369 -0.003 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001366156087 1133030462 /nfs/dbraw/zinc/03/04/62/1133030462.db2.gz PDTLQPKYAATIBU-OKILXGFUSA-N 2 0 326.441 -0.530 20 0 EBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001366163956 1133033513 /nfs/dbraw/zinc/03/35/13/1133033513.db2.gz UTJVFTVKFSHNAS-OKILXGFUSA-N 2 0 340.468 -0.282 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C2)C1 ZINC001366163130 1133033846 /nfs/dbraw/zinc/03/38/46/1133033846.db2.gz CZPOSYDUYMKWBD-GARJFASQSA-N 2 0 336.358 -0.147 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C2)C1 ZINC001366163133 1133034034 /nfs/dbraw/zinc/03/40/34/1133034034.db2.gz CZPOSYDUYMKWBD-MXWKQRLJSA-N 2 0 336.358 -0.147 20 0 EBADRP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1)[NH+](C)C ZINC001366166427 1133035565 /nfs/dbraw/zinc/03/55/65/1133035565.db2.gz DLSBBNDXKHJZHV-HZSPNIEDSA-N 2 0 348.513 -0.299 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001366199259 1133053344 /nfs/dbraw/zinc/05/33/44/1133053344.db2.gz GCFXOOHAEOLFIA-ZDUSSCGKSA-N 2 0 341.456 -0.259 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001366207230 1133056297 /nfs/dbraw/zinc/05/62/97/1133056297.db2.gz NYNYMWCZBFAYQE-ZDUSSCGKSA-N 2 0 338.456 -0.223 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001366241898 1133071900 /nfs/dbraw/zinc/07/19/00/1133071900.db2.gz GWOCXAHQFTYYSZ-HIFPTAJRSA-N 2 0 339.440 -0.589 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CCN2CCNC2=O)CC[N@@H+]1C ZINC001366299364 1133089816 /nfs/dbraw/zinc/08/98/16/1133089816.db2.gz ZLKLFRNWWMPZLI-MELADBBJSA-N 2 0 325.457 -0.164 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001366325441 1133099434 /nfs/dbraw/zinc/09/94/34/1133099434.db2.gz RRWHTZXATHXOOJ-MNOVXSKESA-N 2 0 327.429 -0.733 20 0 EBADRP C[C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CC(=O)N1CCCC1 ZINC001366356550 1133109112 /nfs/dbraw/zinc/10/91/12/1133109112.db2.gz IOYXQUGFJYXRPK-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001366355302 1133109513 /nfs/dbraw/zinc/10/95/13/1133109513.db2.gz CHCMQGFRMXCKBM-KGLIPLIRSA-N 2 0 326.441 -0.528 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001366387389 1133125258 /nfs/dbraw/zinc/12/52/58/1133125258.db2.gz CMNFAQOGDJASAZ-STQMWFEESA-N 2 0 341.456 -0.249 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001366408814 1133134852 /nfs/dbraw/zinc/13/48/52/1133134852.db2.gz KOHJCMUYZQGIKL-LSDHHAIUSA-N 2 0 340.468 -0.471 20 0 EBADRP C[C@H](CCNC(=O)COC1CC[NH+](C)CC1)[NH2+][C@@H]1CCNC1=O ZINC001366500842 1133159617 /nfs/dbraw/zinc/15/96/17/1133159617.db2.gz QIOMDJQFCFYJGF-TZMCWYRMSA-N 2 0 326.441 -0.530 20 0 EBADRP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)Nc1nncs1 ZINC001366513004 1133163519 /nfs/dbraw/zinc/16/35/19/1133163519.db2.gz XXXDLXOOTLWXPO-MNOVXSKESA-N 2 0 340.453 -0.087 20 0 EBADRP CC[C@H](C(=O)NCC[N@H+](C)C[C@H]1CCN(S(C)(=O)=O)C1)[NH+](C)C ZINC001366583500 1133197440 /nfs/dbraw/zinc/19/74/40/1133197440.db2.gz LZGCLJQYEFSCQK-ZIAGYGMSSA-N 2 0 348.513 -0.344 20 0 EBADRP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@@H](C)C(=O)NC(=O)NC ZINC001366710286 1133265747 /nfs/dbraw/zinc/26/57/47/1133265747.db2.gz XOMKAIAXKHNKEL-QWHCGFSZSA-N 2 0 341.456 -0.247 20 0 EBADRP C[C@@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)C(=O)NC(=O)NC(C)(C)C ZINC001366775306 1133293010 /nfs/dbraw/zinc/29/30/10/1133293010.db2.gz MAJSYQZALRSORU-GFCCVEGCSA-N 2 0 343.472 -0.001 20 0 EBADRP CN(CC[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)C(=O)CC[NH+](C)C ZINC001366775599 1133293018 /nfs/dbraw/zinc/29/30/18/1133293018.db2.gz NKNZUFRTHPYHAC-CQSZACIVSA-N 2 0 336.440 -0.475 20 0 EBADRP C[C@@H](O)C[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001366848948 1133318031 /nfs/dbraw/zinc/31/80/31/1133318031.db2.gz MYTWPWVVBZCQDY-BZUAXINKSA-N 2 0 326.485 -0.217 20 0 EBADRP COC[C@@H](O)C[NH+]1CC(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001366984756 1133402856 /nfs/dbraw/zinc/40/28/56/1133402856.db2.gz YTPZNKCOZFOLRW-AWEZNQCLSA-N 2 0 329.441 -0.848 20 0 EBADRP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001367073681 1133467165 /nfs/dbraw/zinc/46/71/65/1133467165.db2.gz MGORXGJAHJMTJH-AWEZNQCLSA-N 2 0 325.457 -0.114 20 0 EBADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)CC1)C(N)=O ZINC001367193945 1133499055 /nfs/dbraw/zinc/49/90/55/1133499055.db2.gz IPVDULQONAVGOT-MGPQQGTHSA-N 2 0 340.468 -0.012 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]CCN2CCNC2=O)CC1 ZINC001367203891 1133500179 /nfs/dbraw/zinc/50/01/79/1133500179.db2.gz XUOWIGHEXARBRE-HDJSIYSDSA-N 2 0 325.457 -0.020 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001367220389 1133505117 /nfs/dbraw/zinc/50/51/17/1133505117.db2.gz AOSNJKLRWGHDQE-CYBMUJFWSA-N 2 0 326.441 -0.589 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)N1CCOCC1)[NH+](C)C ZINC001367222103 1133505727 /nfs/dbraw/zinc/50/57/27/1133505727.db2.gz WSMSCQPTGQUYMD-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001367298355 1133531859 /nfs/dbraw/zinc/53/18/59/1133531859.db2.gz YNUWCGUVLCMRDQ-LBPRGKRZSA-N 2 0 327.429 -0.730 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)N1CCO[C@H](C)C1)N(C)C(=O)C[NH+]1CCCC1 ZINC001367405240 1133580165 /nfs/dbraw/zinc/58/01/65/1133580165.db2.gz NTILYTGEMCCTLI-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001367418119 1133584947 /nfs/dbraw/zinc/58/49/47/1133584947.db2.gz LHNOSIZXSFRAFR-IJLUTSLNSA-N 2 0 327.429 -0.781 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001367426298 1133586945 /nfs/dbraw/zinc/58/69/45/1133586945.db2.gz VCCQIGXZNQQHRM-RWMBFGLXSA-N 2 0 338.456 -0.225 20 0 EBADRP CC(C)[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC(=O)NC(N)=O ZINC001367486868 1133600996 /nfs/dbraw/zinc/60/09/96/1133600996.db2.gz CILGMODYAAZKAN-LLVKDONJSA-N 2 0 325.413 -0.993 20 0 EBADRP CC[C@H](C(=O)NC[C@H]([NH2+]CC(=O)NC(=O)NC)C(C)C)[NH+](C)C ZINC001367496838 1133603599 /nfs/dbraw/zinc/60/35/99/1133603599.db2.gz XNBITLJXVOHISY-NWDGAFQWSA-N 2 0 329.445 -0.487 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001367562544 1133632133 /nfs/dbraw/zinc/63/21/33/1133632133.db2.gz NKMQZOAJZSXJIW-QWHCGFSZSA-N 2 0 341.456 -0.343 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001367593726 1133666640 /nfs/dbraw/zinc/66/66/40/1133666640.db2.gz LMQORQGHTGNVOK-STQMWFEESA-N 2 0 326.441 -0.936 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CC2)CC[N@@H+]1C ZINC001367594178 1133667498 /nfs/dbraw/zinc/66/74/98/1133667498.db2.gz XJBAJGHACZTOLV-HZSPNIEDSA-N 2 0 326.441 -0.938 20 0 EBADRP CC(C)N1CC[C@H]([NH2+]C[C@H](O)CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001367600915 1133677764 /nfs/dbraw/zinc/67/77/64/1133677764.db2.gz LZDBXWMRAVTEKL-KBPBESRZSA-N 2 0 340.468 -0.596 20 0 EBADRP CCn1nnc(C)c1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001367606852 1133685732 /nfs/dbraw/zinc/68/57/32/1133685732.db2.gz LSWUGFFLQFMPSH-KGLIPLIRSA-N 2 0 338.456 -0.343 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccn(C)c(=O)c1)[NH+](C)C ZINC001367618354 1133701222 /nfs/dbraw/zinc/70/12/22/1133701222.db2.gz CYWQNWYSBFJGJQ-GOEBONIOSA-N 2 0 338.452 -0.462 20 0 EBADRP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001367622057 1133706623 /nfs/dbraw/zinc/70/66/23/1133706623.db2.gz TYDVZCLZPSHZMZ-WBMJQRKESA-N 2 0 346.447 -0.598 20 0 EBADRP CC1CCN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001367623357 1133709186 /nfs/dbraw/zinc/70/91/86/1133709186.db2.gz KEEKIHBNCAQOIE-HUUCEWRRSA-N 2 0 340.468 -0.737 20 0 EBADRP C[C@@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)COC1CC[NH+](C)CC1 ZINC001367764584 1133776119 /nfs/dbraw/zinc/77/61/19/1133776119.db2.gz SSCJGTUCKLEYEL-JSGCOSHPSA-N 2 0 326.441 -0.530 20 0 EBADRP C[C@@H](C[NH2+][C@@H](C)C(=O)Nc1ncccn1)NC(=O)C12CC[NH+](CC1)C2 ZINC001367770877 1133778442 /nfs/dbraw/zinc/77/84/42/1133778442.db2.gz HYJQOBVPPXYVEW-STQMWFEESA-N 2 0 346.435 -0.006 20 0 EBADRP C[C@@H](C[N@H+](C)CCN1CCNC1=O)NC(=O)[C@H]1CCCC[NH+]1C ZINC001367812880 1133796453 /nfs/dbraw/zinc/79/64/53/1133796453.db2.gz CRRDVYBLLMSBCF-UONOGXRCSA-N 2 0 325.457 -0.068 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C[C@H]1C ZINC001368107070 1133941203 /nfs/dbraw/zinc/94/12/03/1133941203.db2.gz VKKMRSNOVTYDEE-VXGBXAGGSA-N 2 0 327.429 -0.508 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C[C@@H]1C ZINC001368107593 1133941471 /nfs/dbraw/zinc/94/14/71/1133941471.db2.gz ONGQRZMXJDXEGD-QWHCGFSZSA-N 2 0 341.456 -0.118 20 0 EBADRP NC(=O)NC(=O)C[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CCCC1 ZINC001368141116 1133955200 /nfs/dbraw/zinc/95/52/00/1133955200.db2.gz AVUDOAQTHLYYHJ-ZDUSSCGKSA-N 2 0 339.440 -0.458 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001368144838 1133957309 /nfs/dbraw/zinc/95/73/09/1133957309.db2.gz MFBLYOPVMBYLJD-HOTGVXAUSA-N 2 0 344.475 -0.123 20 0 EBADRP C[C@H]([NH2+]C[C@@]1(C)CCN(C(=O)COC2CC[NH+](C)CC2)C1)C(N)=O ZINC001368190993 1133986174 /nfs/dbraw/zinc/98/61/74/1133986174.db2.gz ITQKADCPNYSYOU-SUMWQHHRSA-N 2 0 340.468 -0.201 20 0 EBADRP CC[C@@H](C(=O)NCC1([NH2+]Cc2cnnn2C)CCOCC1)[NH+](C)C ZINC001368239172 1134006731 /nfs/dbraw/zinc/00/67/31/1134006731.db2.gz ZJFGRTLVWSVGFX-AWEZNQCLSA-N 2 0 338.456 -0.090 20 0 EBADRP Cn1cc(C[N@@H+]2CC[C@@](O)(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001368246950 1134020149 /nfs/dbraw/zinc/02/01/49/1134020149.db2.gz OPTNEVVQSTTZBA-SJLPKXTDSA-N 2 0 347.463 -0.185 20 0 EBADRP Cn1cc(C[N@@H+]2CC[C@@](O)(CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001368246945 1134020981 /nfs/dbraw/zinc/02/09/81/1134020981.db2.gz OPTNEVVQSTTZBA-FUHWJXTLSA-N 2 0 347.463 -0.185 20 0 EBADRP COCC[N@@H+]1CC[C@](O)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001368276333 1134087362 /nfs/dbraw/zinc/08/73/62/1134087362.db2.gz KLMJYQVXNCEWOK-INIZCTEOSA-N 2 0 329.441 -0.703 20 0 EBADRP Cc1nn(C)cc1C[N@@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001368280851 1134095696 /nfs/dbraw/zinc/09/56/96/1134095696.db2.gz QMOJMMMMTKXIPE-GOSISDBHSA-N 2 0 347.463 -0.123 20 0 EBADRP CCN1CC[C@@H]([N@@H+]2CC[C@](O)(CNC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001368290414 1134108130 /nfs/dbraw/zinc/10/81/30/1134108130.db2.gz USSJIVBZTRAARP-PBHICJAKSA-N 2 0 338.452 -0.744 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2C1 ZINC001368364263 1134167606 /nfs/dbraw/zinc/16/76/06/1134167606.db2.gz NSAMLAAILQNOBH-GASCZTMLSA-N 2 0 337.468 -0.256 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001368364973 1134168728 /nfs/dbraw/zinc/16/87/28/1134168728.db2.gz JIWKGZSIKSFVOP-ZFWWWQNUSA-N 2 0 339.484 -0.615 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(CCO)CC[NH2+][C@H]1CCCN(C)C1=O ZINC001368403003 1134208193 /nfs/dbraw/zinc/20/81/93/1134208193.db2.gz BDVSJAQTXBNNSY-AWEZNQCLSA-N 2 0 328.457 -0.642 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001368508293 1134261194 /nfs/dbraw/zinc/26/11/94/1134261194.db2.gz AFVFOZHQOYGUNW-NEPJUHHUSA-N 2 0 327.429 -0.508 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCO[C@@H](C[NH2+]CC(=O)N3CCC3)C2)CC1 ZINC001368513131 1134264877 /nfs/dbraw/zinc/26/48/77/1134264877.db2.gz XZNCBFSUBCPQTH-HNNXBMFYSA-N 2 0 338.452 -0.623 20 0 EBADRP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CC(=O)NC(N)=O)CC1)[NH+](C)C ZINC001368517353 1134268867 /nfs/dbraw/zinc/26/88/67/1134268867.db2.gz UBCISIGOPSGHFZ-RYUDHWBXSA-N 2 0 327.429 -0.508 20 0 EBADRP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC(N)=O)CC2)CCC1 ZINC001368518936 1134270974 /nfs/dbraw/zinc/27/09/74/1134270974.db2.gz RPJBQPAPZOEFOT-LBPRGKRZSA-N 2 0 339.440 -0.364 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC001368533812 1134279394 /nfs/dbraw/zinc/27/93/94/1134279394.db2.gz OHACNCGCGYWOGX-OLZOCXBDSA-N 2 0 341.456 -0.118 20 0 EBADRP CN(C)C(=O)C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001368613157 1134324635 /nfs/dbraw/zinc/32/46/35/1134324635.db2.gz JVDZJYTWPUXXCB-WMLDXEAASA-N 2 0 340.468 -0.498 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CC(=O)NC)C1 ZINC001368613612 1134324875 /nfs/dbraw/zinc/32/48/75/1134324875.db2.gz LINFZILKYAHHTN-YOEHRIQHSA-N 2 0 340.468 -0.450 20 0 EBADRP NC(=O)C[NH2+]CC1(NC(=O)CCC[NH+]2CCCC2)CCOCC1 ZINC001368633225 1134345905 /nfs/dbraw/zinc/34/59/05/1134345905.db2.gz IYFJBTYZISVRHP-UHFFFAOYSA-N 2 0 326.441 -0.397 20 0 EBADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001368651907 1134355986 /nfs/dbraw/zinc/35/59/86/1134355986.db2.gz FQUKLPSXJCXEAL-QWHCGFSZSA-N 2 0 329.466 -0.437 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001368653584 1134356653 /nfs/dbraw/zinc/35/66/53/1134356653.db2.gz FGOLAUFRSCDDBB-CHWSQXEVSA-N 2 0 341.456 -0.391 20 0 EBADRP CC(C)[C@H](C(=O)N1CCC(O)(C[NH2+]CC(=O)N(C)C)CC1)[NH+](C)C ZINC001368682903 1134381275 /nfs/dbraw/zinc/38/12/75/1134381275.db2.gz OJRRFGUQYIDWCA-OAHLLOKOSA-N 2 0 342.484 -0.396 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001368710983 1134401789 /nfs/dbraw/zinc/40/17/89/1134401789.db2.gz XJSUILCTRTXMDR-NWDGAFQWSA-N 2 0 327.429 -0.589 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001368745133 1134416275 /nfs/dbraw/zinc/41/62/75/1134416275.db2.gz UFEPRJORCISNIB-CHWSQXEVSA-N 2 0 339.440 -0.364 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC(=O)Nc2cnccn2)C1 ZINC001368815360 1134453397 /nfs/dbraw/zinc/45/33/97/1134453397.db2.gz LNRYCLNYOLZULU-RUXDESIVSA-N 2 0 346.435 -0.006 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001368840018 1134461924 /nfs/dbraw/zinc/46/19/24/1134461924.db2.gz KQKROYRKXHWJQK-QWRGUYRKSA-N 2 0 327.429 -0.591 20 0 EBADRP Cc1c(C(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)NC(N)=O)ccc2c[nH+]cn21 ZINC001368854904 1134466084 /nfs/dbraw/zinc/46/60/84/1134466084.db2.gz CKUJMAQJLSFUOE-NXEZZACHSA-N 2 0 346.391 -0.066 20 0 EBADRP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001368861003 1134467557 /nfs/dbraw/zinc/46/75/57/1134467557.db2.gz HAPPTBMQICHNGT-QWRGUYRKSA-N 2 0 327.429 -0.591 20 0 EBADRP C[C@@H]([NH2+]CC(=O)NC(=O)NC1CC1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001368860988 1134467897 /nfs/dbraw/zinc/46/78/97/1134467897.db2.gz HAPPTBMQICHNGT-MNOVXSKESA-N 2 0 327.429 -0.591 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)NC)C[C@H]21 ZINC001369135030 1134583673 /nfs/dbraw/zinc/58/36/73/1134583673.db2.gz PUZUUTXBVJDJMO-FQUUOJAGSA-N 2 0 328.432 -0.294 20 0 EBADRP C[C@@H]([NH2+]CCN1CCCC1=O)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001369152583 1134595397 /nfs/dbraw/zinc/59/53/97/1134595397.db2.gz PDTZJOUTMZAGMF-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]([NH2+]CC(=O)N(C)C)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001369158612 1134599575 /nfs/dbraw/zinc/59/95/75/1134599575.db2.gz NAJGTBTYPRKAJA-KGLIPLIRSA-N 2 0 338.452 -0.624 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001369180410 1134608591 /nfs/dbraw/zinc/60/85/91/1134608591.db2.gz OLEGIOQBWWJVCW-XJFOESAGSA-N 2 0 326.441 -0.687 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001369248441 1134628597 /nfs/dbraw/zinc/62/85/97/1134628597.db2.gz FDGNKHJTPPDGKF-LBPRGKRZSA-N 2 0 341.456 -0.247 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001369293386 1134642841 /nfs/dbraw/zinc/64/28/41/1134642841.db2.gz MTDWEIRXYOLWQD-NWDGAFQWSA-N 2 0 329.445 -0.391 20 0 EBADRP CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001369321470 1134662017 /nfs/dbraw/zinc/66/20/17/1134662017.db2.gz DUWUCZIRXDDVEG-JSGCOSHPSA-N 2 0 326.441 -0.842 20 0 EBADRP CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001369353110 1134703536 /nfs/dbraw/zinc/70/35/36/1134703536.db2.gz ZYTGJDHICSQMMO-ZDUSSCGKSA-N 2 0 347.419 -0.199 20 0 EBADRP Cn1nccc1C[NH2+][C@@H](CO)CNC(=O)COC1CC[NH+](C)CC1 ZINC001369373027 1134729585 /nfs/dbraw/zinc/72/95/85/1134729585.db2.gz MYWNZBIHKAHOCM-CYBMUJFWSA-N 2 0 339.440 -0.902 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H](CO)[NH2+]Cc1cncs1 ZINC001369381100 1134742685 /nfs/dbraw/zinc/74/26/85/1134742685.db2.gz ITADAKRHIXTEMY-QWHCGFSZSA-N 2 0 342.465 -0.322 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001369406782 1134763607 /nfs/dbraw/zinc/76/36/07/1134763607.db2.gz RCBOPFRVOAXXDA-STQMWFEESA-N 2 0 341.456 -0.247 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(=O)NC(=O)NC)C[C@@H]1C ZINC001369409327 1134766051 /nfs/dbraw/zinc/76/60/51/1134766051.db2.gz VZEDUPYFTAIQNF-NWDGAFQWSA-N 2 0 327.429 -0.637 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001369428598 1134775407 /nfs/dbraw/zinc/77/54/07/1134775407.db2.gz XKBAVMZCJTWQSW-RYUDHWBXSA-N 2 0 327.429 -0.732 20 0 EBADRP COc1cncc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001369447866 1134786115 /nfs/dbraw/zinc/78/61/15/1134786115.db2.gz DNNXQXUQFARTJN-ZIAGYGMSSA-N 2 0 337.424 -0.512 20 0 EBADRP CN(C[C@H](O)C[NH2+]Cc1ccn(C)c(=O)c1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001369448770 1134787118 /nfs/dbraw/zinc/78/71/18/1134787118.db2.gz HKOLKMHVKUASSN-CABCVRRESA-N 2 0 336.436 -0.612 20 0 EBADRP CNC(=O)C[NH2+][C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC1(C)C ZINC001369448653 1134787365 /nfs/dbraw/zinc/78/73/65/1134787365.db2.gz RWKRHTJAEVHVLX-AWEZNQCLSA-N 2 0 340.468 -0.330 20 0 EBADRP CCN1CC[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)C23CC[NH+](CC2)C3)C1=O ZINC001369489588 1134862770 /nfs/dbraw/zinc/86/27/70/1134862770.db2.gz XRTXVMKZZOGHQN-UONOGXRCSA-N 2 0 338.452 -0.888 20 0 EBADRP Cc1nn(C)cc1C[NH2+]C[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001369489475 1134862980 /nfs/dbraw/zinc/86/29/80/1134862980.db2.gz VTFSAFXJUYCTLA-OAHLLOKOSA-N 2 0 337.468 -0.021 20 0 EBADRP CN(C[C@H](O)C[N@H+](C)[C@@H]1CCN(C)C1=O)C(=O)CCC[NH+](C)C ZINC001369513967 1134908388 /nfs/dbraw/zinc/90/83/88/1134908388.db2.gz WATZJJYDQKOOAZ-ZIAGYGMSSA-N 2 0 328.457 -0.690 20 0 EBADRP CN(C[C@@H](O)C[N@H+](C)[C@H]1CCNC1=O)C(=O)CC1CC[NH+](C)CC1 ZINC001369524011 1134920414 /nfs/dbraw/zinc/92/04/14/1134920414.db2.gz SWIWTQIMSLTHNN-GJZGRUSLSA-N 2 0 340.468 -0.642 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)C1CC([NH2+]CC(=O)N2CCOCC2)C1 ZINC001369577692 1134946537 /nfs/dbraw/zinc/94/65/37/1134946537.db2.gz JGMDZOLVRLDYAC-UHFFFAOYSA-N 2 0 340.468 -0.234 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001369852508 1135048954 /nfs/dbraw/zinc/04/89/54/1135048954.db2.gz JBYAJIXVNMHJQI-HUUCEWRRSA-N 2 0 343.468 -0.315 20 0 EBADRP CNC(=O)C[NH2+][C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001370275375 1135279439 /nfs/dbraw/zinc/27/94/39/1135279439.db2.gz CBCCYTFLLZELIJ-GXTWGEPZSA-N 2 0 326.441 -0.815 20 0 EBADRP O=C(C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C1CC1)Nc1cnccn1 ZINC001370278977 1135280234 /nfs/dbraw/zinc/28/02/34/1135280234.db2.gz JSDMMGPNPNBLIT-CQSZACIVSA-N 2 0 346.435 -0.005 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001370280198 1135281012 /nfs/dbraw/zinc/28/10/12/1135281012.db2.gz ZBWYVXCKDHALQH-CHWSQXEVSA-N 2 0 339.440 -0.460 20 0 EBADRP CN(CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1)S(C)(=O)=O ZINC001370438708 1135351088 /nfs/dbraw/zinc/35/10/88/1135351088.db2.gz BPSGIBPYUMYWNC-JHJVBQTASA-N 2 0 332.470 -0.791 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001370459597 1135359432 /nfs/dbraw/zinc/35/94/32/1135359432.db2.gz QSYMVYWTOCSUFC-FDYHWXHSSA-N 2 0 339.440 -0.321 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001370462479 1135361255 /nfs/dbraw/zinc/36/12/55/1135361255.db2.gz YUTCBMOWUMMGFP-JHJVBQTASA-N 2 0 339.440 -0.448 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCOCC2)C1)[NH+](C)C ZINC001370485098 1135370517 /nfs/dbraw/zinc/37/05/17/1135370517.db2.gz PQYDXZUQEOXDNU-DZKIICNBSA-N 2 0 340.468 -0.332 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001370488246 1135372188 /nfs/dbraw/zinc/37/21/88/1135372188.db2.gz IYFPTAKQNOBFQD-IJLUTSLNSA-N 2 0 327.429 -0.591 20 0 EBADRP C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+]1CCCCCC1 ZINC001370526187 1135392820 /nfs/dbraw/zinc/39/28/20/1135392820.db2.gz UQPVZVOJZVNSIX-JHJVBQTASA-N 2 0 339.440 -0.317 20 0 EBADRP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001370564899 1135411635 /nfs/dbraw/zinc/41/16/35/1135411635.db2.gz XDWQJSDCSSJVMA-KBUPBQIOSA-N 2 0 329.441 -0.801 20 0 EBADRP CC[C@H](C(=O)NC[C@H](CO)NC(=O)C12CCC[NH+]1CCC2)[NH+](C)C ZINC001370723204 1135549220 /nfs/dbraw/zinc/54/92/20/1135549220.db2.gz DLVRIOYDYNSGRN-ZIAGYGMSSA-N 2 0 340.468 -0.452 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](CO)CNC(=O)CC[NH+](C)C)CC1 ZINC001370783942 1135629168 /nfs/dbraw/zinc/62/91/68/1135629168.db2.gz AIQDXGURWITZIO-OAHLLOKOSA-N 2 0 342.484 -0.348 20 0 EBADRP CC(C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NC(N)=O)[NH+](C)C ZINC001370964447 1135714947 /nfs/dbraw/zinc/71/49/47/1135714947.db2.gz OTKOBWDHXWCPEP-TZMCWYRMSA-N 2 0 341.456 -0.262 20 0 EBADRP CN(C[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)C[NH+]1CCCC1 ZINC001371002841 1135759775 /nfs/dbraw/zinc/75/97/75/1135759775.db2.gz AICNJTZMHPRHSA-HUUCEWRRSA-N 2 0 340.468 -0.641 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001371075870 1135833069 /nfs/dbraw/zinc/83/30/69/1135833069.db2.gz QOJFKWZZDLHXHE-UHFFFAOYSA-N 2 0 340.468 -0.153 20 0 EBADRP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCN(C)S(C)(=O)=O ZINC001371240745 1135870628 /nfs/dbraw/zinc/87/06/28/1135870628.db2.gz QCUNCJNFVQFMEE-OLZOCXBDSA-N 2 0 334.486 -0.544 20 0 EBADRP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001371322875 1135888570 /nfs/dbraw/zinc/88/85/70/1135888570.db2.gz VMTUPFDRSDUSEI-AAEUAGOBSA-N 2 0 339.440 -0.447 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)Nc2cnccn2)C1)[NH+](C)C ZINC001371514620 1135943388 /nfs/dbraw/zinc/94/33/88/1135943388.db2.gz MYRZYRDLUOOYQL-QWHCGFSZSA-N 2 0 334.424 -0.054 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1OC ZINC001371516728 1135944728 /nfs/dbraw/zinc/94/47/28/1135944728.db2.gz CKTMGMBPKZHVOO-ZIAGYGMSSA-N 2 0 337.424 -0.364 20 0 EBADRP CO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001371524030 1135949453 /nfs/dbraw/zinc/94/94/53/1135949453.db2.gz QPOHXXTXGPSCLB-ZIAGYGMSSA-N 2 0 340.468 -0.236 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001371528661 1135953356 /nfs/dbraw/zinc/95/33/56/1135953356.db2.gz HJSJAPOKHQOZOC-ILXRZTDVSA-N 2 0 340.468 -0.500 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001371532257 1135956500 /nfs/dbraw/zinc/95/65/00/1135956500.db2.gz ZMMZTDGUAYPCFJ-KGLIPLIRSA-N 2 0 326.441 -0.888 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001371557463 1135970240 /nfs/dbraw/zinc/97/02/40/1135970240.db2.gz WUIZPWLWMUSYST-CABCVRRESA-N 2 0 340.468 -0.330 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001371579041 1135975034 /nfs/dbraw/zinc/97/50/34/1135975034.db2.gz IQHJCBNCURJZNG-QWHCGFSZSA-N 2 0 341.456 -0.390 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001371618715 1135986373 /nfs/dbraw/zinc/98/63/73/1135986373.db2.gz OGSKHEOOJUWREI-NWDGAFQWSA-N 2 0 327.429 -0.650 20 0 EBADRP O=C(N1CC[C@H](C[NH2+]C[C@@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001371639448 1135990288 /nfs/dbraw/zinc/99/02/88/1135990288.db2.gz VJZKAHPOALGOOV-HZPDHXFCSA-N 2 0 347.463 -0.222 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001371773029 1136017901 /nfs/dbraw/zinc/01/79/01/1136017901.db2.gz VNZLJVVJZPUICV-NSHDSACASA-N 2 0 327.429 -0.589 20 0 EBADRP CC[C@@H](C(=O)N1CCN(CCNC(=O)CC[NH+](C)C)CC1)[NH+](C)C ZINC001372219796 1136143282 /nfs/dbraw/zinc/14/32/82/1136143282.db2.gz LSJUJVPGZYNYSA-HNNXBMFYSA-N 2 0 341.500 -0.461 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001372674120 1136265971 /nfs/dbraw/zinc/26/59/71/1136265971.db2.gz YQXOMBIPNZOKSX-RYUDHWBXSA-N 2 0 327.429 -0.650 20 0 EBADRP C[NH+](C)CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001372700661 1136271384 /nfs/dbraw/zinc/27/13/84/1136271384.db2.gz GVPHNDVDNGMTOY-LJISPDSOSA-N 2 0 334.464 -0.005 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+](C[C@H](O)Cn2cccn2)C2CC2)C1 ZINC001372897277 1136317881 /nfs/dbraw/zinc/31/78/81/1136317881.db2.gz PVUCPPHPRMYIQL-ZBFHGGJFSA-N 2 0 335.452 -0.224 20 0 EBADRP C[C@H]([NH2+]CCN(C)C(=O)CCC[NH+]1CCCC1)C(=O)NC(N)=O ZINC001372994935 1136349165 /nfs/dbraw/zinc/34/91/65/1136349165.db2.gz VEWLEPOEGVCSFS-LBPRGKRZSA-N 2 0 327.429 -0.506 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC[C@H]1CC[NH+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001373250226 1136408615 /nfs/dbraw/zinc/40/86/15/1136408615.db2.gz YRELLJJAXMLRMQ-ZDUSSCGKSA-N 2 0 338.456 -0.223 20 0 EBADRP C[N@@H+](CC(=O)NC(N)=O)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001373295530 1136422019 /nfs/dbraw/zinc/42/20/19/1136422019.db2.gz VNHDQOYRIXALHF-NWDGAFQWSA-N 2 0 325.413 -0.944 20 0 EBADRP CN(CCNC(=O)[C@@H]1CN(C)CCO1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001373389138 1136442579 /nfs/dbraw/zinc/44/25/79/1136442579.db2.gz OUDOADLRDZGWLT-GJZGRUSLSA-N 2 0 338.452 -0.767 20 0 EBADRP CC[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC(=O)NC(N)=O ZINC001373753580 1136553395 /nfs/dbraw/zinc/55/33/95/1136553395.db2.gz OTTFNYAJEDTINF-RYUDHWBXSA-N 2 0 325.413 -0.993 20 0 EBADRP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CCN1CCNC1=O ZINC001373756933 1136553927 /nfs/dbraw/zinc/55/39/27/1136553927.db2.gz AVLORKITPGGMRO-ZDUSSCGKSA-N 2 0 325.457 -0.020 20 0 EBADRP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCN1CCCS1(=O)=O ZINC001373825731 1136567899 /nfs/dbraw/zinc/56/78/99/1136567899.db2.gz OSUXSDNUPFUMKV-AWEZNQCLSA-N 2 0 346.497 -0.398 20 0 EBADRP CCN1CCO[C@@H](C(=O)N[C@](C)(C[NH2+]CC(=O)NC)C2CC2)C1 ZINC001373901222 1136583687 /nfs/dbraw/zinc/58/36/87/1136583687.db2.gz QDJSCGSQVAHWMW-CZUORRHYSA-N 2 0 326.441 -0.672 20 0 EBADRP C[C@H]([NH2+]CCC1CCN(C(=O)CC[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001373906955 1136584556 /nfs/dbraw/zinc/58/45/56/1136584556.db2.gz QTSOTMIKTJCOQG-LBPRGKRZSA-N 2 0 341.456 -0.260 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001373961362 1136593684 /nfs/dbraw/zinc/59/36/84/1136593684.db2.gz OJEPGGBVXXRAGJ-OAGGEKHMSA-N 2 0 325.453 -0.084 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001373990299 1136600103 /nfs/dbraw/zinc/60/01/03/1136600103.db2.gz RYPHZKCUCBJJIX-RYUDHWBXSA-N 2 0 327.429 -0.732 20 0 EBADRP C[C@@H](CNC(=O)[C@@H]1CCc2nccn2C1)C[NH2+]Cc1nnnn1C ZINC001374041707 1136611840 /nfs/dbraw/zinc/61/18/40/1136611840.db2.gz XWGOACKVDNIPMJ-VXGBXAGGSA-N 2 0 332.412 -0.489 20 0 EBADRP C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)C[NH2+][C@H]1CCNC1=O ZINC001374084995 1136619918 /nfs/dbraw/zinc/61/99/18/1136619918.db2.gz NCVOOOJRBBMTMB-OCCSQVGLSA-N 2 0 336.440 -0.711 20 0 EBADRP C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001374397321 1136683203 /nfs/dbraw/zinc/68/32/03/1136683203.db2.gz REJQMBPWHROABT-QWHCGFSZSA-N 2 0 338.456 -0.223 20 0 EBADRP CC(C)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001374453625 1136692439 /nfs/dbraw/zinc/69/24/39/1136692439.db2.gz ISKOUSCMPWAYBV-VXGBXAGGSA-N 2 0 327.429 -0.604 20 0 EBADRP CN1CCC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001374635126 1136764995 /nfs/dbraw/zinc/76/49/95/1136764995.db2.gz VIVUUHAONKAGPW-ZIAGYGMSSA-N 2 0 340.468 -0.452 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC001374640207 1136768576 /nfs/dbraw/zinc/76/85/76/1136768576.db2.gz GROXZYLBLHOOAJ-UONOGXRCSA-N 2 0 337.420 -0.155 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CCCC2)C1 ZINC001374670927 1136790043 /nfs/dbraw/zinc/79/00/43/1136790043.db2.gz NFQMJONUXDMNSR-HIFRSBDPSA-N 2 0 340.468 -0.546 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCCCC2)C1 ZINC001374674703 1136793430 /nfs/dbraw/zinc/79/34/30/1136793430.db2.gz JUIKTPGKOYJMBL-KBPBESRZSA-N 2 0 326.441 -0.983 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+]Cc1nccn1C(F)F ZINC001374684280 1136800062 /nfs/dbraw/zinc/80/00/62/1136800062.db2.gz LGQDOWXKLVWHLM-LLVKDONJSA-N 2 0 331.367 -0.059 20 0 EBADRP C[C@@H](COCC(=O)N1CC(NC(=O)CC[NH+](C)C)C1)[NH+]1CCCC1 ZINC001374760155 1136824443 /nfs/dbraw/zinc/82/44/43/1136824443.db2.gz LVYVKYKAUDOFSF-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H](C[NH2+][C@H](C)C(=O)NC1CC1)NC(=O)COC1CC[NH+](C)CC1 ZINC001374830737 1136844878 /nfs/dbraw/zinc/84/48/78/1136844878.db2.gz ZKOGBCAVQLYVQA-CHWSQXEVSA-N 2 0 340.468 -0.141 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001374934059 1136878876 /nfs/dbraw/zinc/87/88/76/1136878876.db2.gz TXCKORNTESBZKY-AWEZNQCLSA-N 2 0 342.484 -0.083 20 0 EBADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@@H](O)CN1CCOCC1 ZINC000371299542 282215851 /nfs/dbraw/zinc/21/58/51/282215851.db2.gz ICDUDYMJZQCQFI-TWMKSMIVSA-N 2 0 327.469 -0.137 20 0 EBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000583928844 375888140 /nfs/dbraw/zinc/88/81/40/375888140.db2.gz SYVUTYCELXGHPJ-ZDUSSCGKSA-N 2 0 325.457 -0.970 20 0 EBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000643576789 375911315 /nfs/dbraw/zinc/91/13/15/375911315.db2.gz ZHVNMZLUEFBMKY-CABCVRRESA-N 2 0 337.468 -0.955 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CCO1 ZINC000643552803 375898421 /nfs/dbraw/zinc/89/84/21/375898421.db2.gz KDWQROLSYYAVSX-QWHCGFSZSA-N 2 0 326.441 -0.496 20 0 EBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000643576792 375910208 /nfs/dbraw/zinc/91/02/08/375910208.db2.gz ZHVNMZLUEFBMKY-LSDHHAIUSA-N 2 0 337.468 -0.955 20 0 EBADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)C2)C1 ZINC000643593601 375921912 /nfs/dbraw/zinc/92/19/12/375921912.db2.gz XUKWALGDHZRFLQ-DAYGRLMNSA-N 2 0 334.464 -0.001 20 0 EBADRP C[NH+]1CCN(C[C@@H]2CN(C[C@H](O)CC3(O)CCC3)CCO2)CC1 ZINC000625152182 375988210 /nfs/dbraw/zinc/98/82/10/375988210.db2.gz KOJRMBQCHAYIMP-HZPDHXFCSA-N 2 0 327.469 -0.399 20 0 EBADRP C[C@@H](NC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)C(C)(C)C[NH+](C)C ZINC000642762393 376086485 /nfs/dbraw/zinc/08/64/85/376086485.db2.gz OJVFWKBZTNYYNR-XQQFMLRXSA-N 2 0 328.457 -0.347 20 0 EBADRP CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC[C@H]1[NH3+] ZINC000642758123 376082075 /nfs/dbraw/zinc/08/20/75/376082075.db2.gz JVMKBSAJLURMPV-QLFBSQMISA-N 2 0 340.468 -0.201 20 0 EBADRP CC[NH2+]CCCNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000557310943 376170144 /nfs/dbraw/zinc/17/01/44/376170144.db2.gz XFHXFUHEXKLFAL-ZIAGYGMSSA-N 2 0 328.457 -0.282 20 0 EBADRP Cn1nccc1[C@H]1c2[nH]cnc2CCN1CC(=O)N1CCN(C)CC1 ZINC000625500113 376242273 /nfs/dbraw/zinc/24/22/73/376242273.db2.gz RDFIEBVLOCEBHS-KRWDZBQOSA-N 2 0 343.435 -0.135 20 0 EBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000642896736 376572511 /nfs/dbraw/zinc/57/25/11/376572511.db2.gz FUQSXQXULMFJBI-HNNXBMFYSA-N 2 0 339.484 -0.613 20 0 EBADRP C[NH+](CCOCC[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038745 376672565 /nfs/dbraw/zinc/67/25/65/376672565.db2.gz AOCZSXCNEALTCV-KJGYPYNMSA-N 2 0 326.441 -0.606 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642904582 376683600 /nfs/dbraw/zinc/68/36/00/376683600.db2.gz ZLYMUJCPXSTJPG-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)C1 ZINC000642914851 376731980 /nfs/dbraw/zinc/73/19/80/376731980.db2.gz ONVDYDSGRWTRPT-HUUCEWRRSA-N 2 0 337.468 -0.907 20 0 EBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC[NH2+]C3CC3)CC2)C1 ZINC000642917935 376748764 /nfs/dbraw/zinc/74/87/64/376748764.db2.gz ICONDINHDNKWCJ-HNNXBMFYSA-N 2 0 337.468 -0.907 20 0 EBADRP O=C(NCC[NH2+]C1CC1)C(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000642919248 376753232 /nfs/dbraw/zinc/75/32/32/376753232.db2.gz UQJBCMNRUCXPKG-HNNXBMFYSA-N 2 0 338.452 -0.432 20 0 EBADRP CN1CCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)[C@@H](C[NH3+])C1 ZINC000561244532 376820809 /nfs/dbraw/zinc/82/08/09/376820809.db2.gz DHYNVEQBWZNJOC-HNNXBMFYSA-N 2 0 337.468 -0.922 20 0 EBADRP CN1CC[C@@H](NC(=O)C(=O)NC2C[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000561226964 376817849 /nfs/dbraw/zinc/81/78/49/376817849.db2.gz KOAYJFANUMUXFO-ZIAGYGMSSA-N 2 0 338.358 -0.086 20 0 EBADRP O=C(CNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)N1CC[NH2+]CC1 ZINC000562814286 376997704 /nfs/dbraw/zinc/99/77/04/376997704.db2.gz OZLXDGSMMAOFRA-HUUCEWRRSA-N 2 0 337.468 -0.018 20 0 EBADRP C[C@H](C(=O)NC[C@H]1CSCCN1C(=O)[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000635760918 377117526 /nfs/dbraw/zinc/11/75/26/377117526.db2.gz XYTZXVAFGRFKGK-UPJWGTAASA-N 2 0 330.498 -0.053 20 0 EBADRP CN1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000569678092 377087900 /nfs/dbraw/zinc/08/79/00/377087900.db2.gz YAJKLXHEESOIKR-HOTGVXAUSA-N 2 0 347.463 -0.493 20 0 EBADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC1=O ZINC000635933476 377139203 /nfs/dbraw/zinc/13/92/03/377139203.db2.gz IIRIKXKEMOHBQD-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000572643325 377234519 /nfs/dbraw/zinc/23/45/19/377234519.db2.gz RGQAJDUXJGGRKL-UONOGXRCSA-N 2 0 347.415 -0.310 20 0 EBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000570618917 377261092 /nfs/dbraw/zinc/26/10/92/377261092.db2.gz BVCRJKFILKOMME-GJZGRUSLSA-N 2 0 339.484 -0.532 20 0 EBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)C1 ZINC000642978845 377435923 /nfs/dbraw/zinc/43/59/23/377435923.db2.gz YRRWAKGEBPCNEE-CQSZACIVSA-N 2 0 337.468 -0.778 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627367434 377417569 /nfs/dbraw/zinc/41/75/69/377417569.db2.gz UEBLIHKBRYUSPC-DZGCQCFKSA-N 2 0 340.468 -0.140 20 0 EBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000592796832 377852296 /nfs/dbraw/zinc/85/22/96/377852296.db2.gz JYKCNEDFLDZZNO-HUUCEWRRSA-N 2 0 340.468 -0.424 20 0 EBADRP CCCNC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000592824279 377854080 /nfs/dbraw/zinc/85/40/80/377854080.db2.gz HHFGKUSRMQLCBE-KGLIPLIRSA-N 2 0 338.452 -0.086 20 0 EBADRP C[NH+](C)CCCOC1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000563077235 377974618 /nfs/dbraw/zinc/97/46/18/377974618.db2.gz DJLJYAZMRTZWQA-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP [NH3+]Cc1ccc(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(F)c1 ZINC000595272396 377987557 /nfs/dbraw/zinc/98/75/57/377987557.db2.gz YOJWJIIZUZZQIG-TZMCWYRMSA-N 2 0 335.383 -0.262 20 0 EBADRP COC(=O)CCN1CC[C@H]([NH+]2CCC(OCCC[NH3+])CC2)C1=O ZINC000595892436 378032658 /nfs/dbraw/zinc/03/26/58/378032658.db2.gz QYDZMQZSYKHQEF-AWEZNQCLSA-N 2 0 327.425 -0.020 20 0 EBADRP COCC[N@@H+]1CCCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000563081521 378066405 /nfs/dbraw/zinc/06/64/05/378066405.db2.gz HCFUWKQKVGSIMA-AWEZNQCLSA-N 2 0 336.440 -0.176 20 0 EBADRP CN(CCC[NH+](C)C)CCNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602531236 378360722 /nfs/dbraw/zinc/36/07/22/378360722.db2.gz UNQIJFHTFSSJMG-JOCHJYFZSA-N 2 0 332.514 -0.513 20 0 EBADRP COC[C@](C)(CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000603918145 378425632 /nfs/dbraw/zinc/42/56/32/378425632.db2.gz UZAFEYVKCKTOPB-VBQJREDUSA-N 2 0 340.468 -0.473 20 0 EBADRP COC[C@](C)(CNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC000603918146 378426151 /nfs/dbraw/zinc/42/61/51/378426151.db2.gz UZAFEYVKCKTOPB-ZQIUZPCESA-N 2 0 340.468 -0.473 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000337792436 378696339 /nfs/dbraw/zinc/69/63/39/378696339.db2.gz CPDUQIVWFRDIRG-HUUCEWRRSA-N 2 0 340.468 -0.201 20 0 EBADRP CC[NH+]1CCC(NC(=O)CSc2nnnn2CC[NH+](C)C)CC1 ZINC000337956534 378717942 /nfs/dbraw/zinc/71/79/42/378717942.db2.gz WIOYZBJIVCMATQ-UHFFFAOYSA-N 2 0 341.485 -0.073 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000533981295 378986368 /nfs/dbraw/zinc/98/63/68/378986368.db2.gz MVYZMGUBVUEQRE-INIZCTEOSA-N 2 0 340.516 -0.443 20 0 EBADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627469791 379005416 /nfs/dbraw/zinc/00/54/16/379005416.db2.gz FEYULMVPYMWUCB-JSGCOSHPSA-N 2 0 326.441 -0.720 20 0 EBADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000629817545 379160041 /nfs/dbraw/zinc/16/00/41/379160041.db2.gz PWPMVLREQBLWFT-UHFFFAOYSA-N 2 0 340.468 -0.232 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627292701 379138643 /nfs/dbraw/zinc/13/86/43/379138643.db2.gz BJXMUELCMQZMJH-INIZCTEOSA-N 2 0 348.447 -0.141 20 0 EBADRP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627296231 379142956 /nfs/dbraw/zinc/14/29/56/379142956.db2.gz ALZHUSQSMUHFIB-HZPDHXFCSA-N 2 0 346.431 -0.653 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000629801591 379144376 /nfs/dbraw/zinc/14/43/76/379144376.db2.gz BBEWVUKBQMKDEM-ZIAGYGMSSA-N 2 0 326.441 -0.767 20 0 EBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627475871 379144941 /nfs/dbraw/zinc/14/49/41/379144941.db2.gz WFLPZOSNBJEZPG-AWEZNQCLSA-N 2 0 326.441 -0.575 20 0 EBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000627401802 379147722 /nfs/dbraw/zinc/14/77/22/379147722.db2.gz JCNGLNQELIXVEC-AWEZNQCLSA-N 2 0 338.452 -0.432 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000458412766 379222079 /nfs/dbraw/zinc/22/20/79/379222079.db2.gz BRMAAWVXWQCCIU-QLFBSQMISA-N 2 0 328.457 -0.196 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627302720 379234630 /nfs/dbraw/zinc/23/46/30/379234630.db2.gz WPGUSUZIDLPUCZ-JSGCOSHPSA-N 2 0 326.441 -0.530 20 0 EBADRP C[C@H]1CN(CCO)CCN1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000458607860 379228430 /nfs/dbraw/zinc/22/84/30/379228430.db2.gz XTHVDXVTPGVLCT-HNNXBMFYSA-N 2 0 341.500 -0.280 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@](C)(C(N)=O)C(C)C)C1 ZINC000459454075 379249580 /nfs/dbraw/zinc/24/95/80/379249580.db2.gz BEPXURISVWUVFH-YOEHRIQHSA-N 2 0 342.484 -0.051 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCN1C(=O)CCC1=O ZINC000607246169 379255692 /nfs/dbraw/zinc/25/56/92/379255692.db2.gz SVLGKZZBXMBOKS-UHFFFAOYSA-N 2 0 327.429 -0.730 20 0 EBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627320092 379322745 /nfs/dbraw/zinc/32/27/45/379322745.db2.gz QBBFWTOEHCJHDT-ZIAGYGMSSA-N 2 0 326.441 -0.528 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627328796 379335915 /nfs/dbraw/zinc/33/59/15/379335915.db2.gz NXYSVMTTYKNMAJ-LSDHHAIUSA-N 2 0 340.468 -0.425 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000627332163 379340471 /nfs/dbraw/zinc/34/04/71/379340471.db2.gz RUPXNMIVXYNTSQ-UONOGXRCSA-N 2 0 326.441 -0.672 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000627311568 379301394 /nfs/dbraw/zinc/30/13/94/379301394.db2.gz BZCWXUOUMSYANA-SOUVJXGZSA-N 2 0 342.484 -0.179 20 0 EBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627312116 379304197 /nfs/dbraw/zinc/30/41/97/379304197.db2.gz PTCROBQSRXCZNG-ZIAGYGMSSA-N 2 0 328.457 -0.295 20 0 EBADRP C[C@@H]1CN(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H](C)O1 ZINC000112362254 379314364 /nfs/dbraw/zinc/31/43/64/379314364.db2.gz ODOYOLWCNPMVOD-OKILXGFUSA-N 2 0 336.502 -0.234 20 0 EBADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627315143 379315508 /nfs/dbraw/zinc/31/55/08/379315508.db2.gz XXXTZAZGCLDWHX-DZGCQCFKSA-N 2 0 340.468 -0.141 20 0 EBADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C[C@H]2C[NH2+]CCO2)cc1 ZINC000269249597 379352113 /nfs/dbraw/zinc/35/21/13/379352113.db2.gz GENRQBIVTLQBCS-INIZCTEOSA-N 2 0 348.447 -0.027 20 0 EBADRP C[NH+]1CCN(c2ncccc2CNC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000269296734 379358687 /nfs/dbraw/zinc/35/86/87/379358687.db2.gz ODRLBOJNOBXZSF-OAHLLOKOSA-N 2 0 333.436 -0.172 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2cc(CCC[NH3+])nn2)C1 ZINC000640876886 379363034 /nfs/dbraw/zinc/36/30/34/379363034.db2.gz SHYYOLAWIFJJJF-HNNXBMFYSA-N 2 0 338.456 -0.358 20 0 EBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000627406762 379443467 /nfs/dbraw/zinc/44/34/67/379443467.db2.gz QNLWEOXGBNIOSM-UHFFFAOYSA-N 2 0 338.452 -0.432 20 0 EBADRP C[C@H]1CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[NH2+]1 ZINC000627483871 379454683 /nfs/dbraw/zinc/45/46/83/379454683.db2.gz MOUAKYYHIGAGGI-UONOGXRCSA-N 3 0 327.473 -0.805 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000627388716 379578982 /nfs/dbraw/zinc/57/89/82/379578982.db2.gz FANPZGMTTQZRMO-CQSZACIVSA-N 2 0 326.441 -0.447 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000627388715 379579142 /nfs/dbraw/zinc/57/91/42/379579142.db2.gz FANPZGMTTQZRMO-AWEZNQCLSA-N 2 0 326.441 -0.447 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000627421291 379590198 /nfs/dbraw/zinc/59/01/98/379590198.db2.gz GMZINDWMCXFWGK-UHFFFAOYSA-N 2 0 328.457 -0.330 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000627425334 379593105 /nfs/dbraw/zinc/59/31/05/379593105.db2.gz MOFDIQNDKRNXRE-UONOGXRCSA-N 2 0 326.441 -0.447 20 0 EBADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627452585 379603619 /nfs/dbraw/zinc/60/36/19/379603619.db2.gz OHQMSUZPIOVHAG-OKILXGFUSA-N 2 0 340.468 -0.010 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)C1 ZINC000627386819 379576227 /nfs/dbraw/zinc/57/62/27/379576227.db2.gz XZRSKQKPAKQQOV-KGLIPLIRSA-N 2 0 326.441 -0.720 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000627484803 379633588 /nfs/dbraw/zinc/63/35/88/379633588.db2.gz JIXNGHSOGOVOEO-OAHLLOKOSA-N 2 0 340.468 -0.055 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCOCCC[NH3+])[C@@H](C)C1 ZINC000627488574 379636582 /nfs/dbraw/zinc/63/65/82/379636582.db2.gz CIGSFJUVEAIBGB-KBPBESRZSA-N 2 0 328.457 -0.343 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000627488905 379639926 /nfs/dbraw/zinc/63/99/26/379639926.db2.gz LSTNHVAURMGCIT-OAHLLOKOSA-N 2 0 340.468 -0.055 20 0 EBADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627453041 379604191 /nfs/dbraw/zinc/60/41/91/379604191.db2.gz APEVULKRUCECFF-UHFFFAOYSA-N 2 0 340.468 -0.057 20 0 EBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627454987 379605930 /nfs/dbraw/zinc/60/59/30/379605930.db2.gz GUAZECXTWMARCO-CYBMUJFWSA-N 2 0 326.441 -0.589 20 0 EBADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627469619 379615083 /nfs/dbraw/zinc/61/50/83/379615083.db2.gz AAQZCQKTFWRNTA-CYBMUJFWSA-N 2 0 338.408 -0.726 20 0 EBADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627472700 379619546 /nfs/dbraw/zinc/61/95/46/379619546.db2.gz WOTOXPUEJZNIPH-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627473189 379622734 /nfs/dbraw/zinc/62/27/34/379622734.db2.gz IRSCGMORPMWNQL-KBPBESRZSA-N 2 0 326.441 -0.815 20 0 EBADRP COC1CC[NH+](C(C)(C)CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631919649 379744699 /nfs/dbraw/zinc/74/46/99/379744699.db2.gz XMRTZDZQZHSRNM-CQSZACIVSA-N 2 0 349.497 -0.216 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC(C)([NH3+])CC2)C1 ZINC000642222605 379744863 /nfs/dbraw/zinc/74/48/63/379744863.db2.gz FCYMEGHPYWICFC-AWEZNQCLSA-N 2 0 340.468 -0.201 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000642222626 379745377 /nfs/dbraw/zinc/74/53/77/379745377.db2.gz ITYHWUOAINTGAN-LSDHHAIUSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)C1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000631735226 379753918 /nfs/dbraw/zinc/75/39/18/379753918.db2.gz ZJKQYJJPHQQJAD-UHFFFAOYSA-N 2 0 332.514 -0.020 20 0 EBADRP O=C(NCCC[NH2+]C1CC1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627064927 379793913 /nfs/dbraw/zinc/79/39/13/379793913.db2.gz WHHJPBUCABDDRY-UHFFFAOYSA-N 2 0 338.456 -0.519 20 0 EBADRP CO[C@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1(C)C ZINC000564191372 379799210 /nfs/dbraw/zinc/79/92/10/379799210.db2.gz RSIHETKTZBUIDQ-KBPBESRZSA-N 2 0 342.484 -0.132 20 0 EBADRP CN(CC[NH+]1CCCC1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631898666 379769050 /nfs/dbraw/zinc/76/90/50/379769050.db2.gz QVNNFHLELBAPEG-UHFFFAOYSA-N 2 0 332.514 -0.019 20 0 EBADRP [NH3+]CCN(CCc1ccccc1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631936714 379785543 /nfs/dbraw/zinc/78/55/43/379785543.db2.gz JTMXGINZCBUEBD-HNNXBMFYSA-N 2 0 327.450 -0.192 20 0 EBADRP C[NH+](C)CCCS(=O)(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631944046 379787032 /nfs/dbraw/zinc/78/70/32/379787032.db2.gz MFKXIBQEXZNZPV-ZDUSSCGKSA-N 2 0 330.458 -0.345 20 0 EBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000631943869 379787301 /nfs/dbraw/zinc/78/73/01/379787301.db2.gz HJZKXYTUBVTUOQ-YMAMQOFZSA-N 2 0 346.497 -0.889 20 0 EBADRP C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C[NH2+]1 ZINC000627207416 379838464 /nfs/dbraw/zinc/83/84/64/379838464.db2.gz QXOXWEUDTPEUIH-QLFBSQMISA-N 2 0 337.468 -0.020 20 0 EBADRP [NH3+]CCCOCCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000627218858 379841646 /nfs/dbraw/zinc/84/16/46/379841646.db2.gz JNIKQNLBPMOSOH-AWEZNQCLSA-N 2 0 341.456 -0.795 20 0 EBADRP CC[C@]1(O)CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000632487881 379869038 /nfs/dbraw/zinc/86/90/38/379869038.db2.gz XYIHXVSMZWXKGQ-KRWDZBQOSA-N 2 0 342.484 -0.298 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000627159027 379818639 /nfs/dbraw/zinc/81/86/39/379818639.db2.gz KPWRBKRESMHSEL-QLFBSQMISA-N 2 0 337.468 -0.020 20 0 EBADRP CC(C)[C@@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC[NH2+]1 ZINC000632579767 379884728 /nfs/dbraw/zinc/88/47/28/379884728.db2.gz AWGVMHRJIWPXAU-HNNXBMFYSA-N 2 0 332.514 -0.117 20 0 EBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633087903 379932024 /nfs/dbraw/zinc/93/20/24/379932024.db2.gz BHQPFKXPEJWWMQ-JYJNAYRXSA-N 2 0 349.479 -0.812 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)c1 ZINC000633091858 379935057 /nfs/dbraw/zinc/93/50/57/379935057.db2.gz ZSYRAXANFRTWOL-STQMWFEESA-N 2 0 345.403 -0.689 20 0 EBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000124202323 379955710 /nfs/dbraw/zinc/95/57/10/379955710.db2.gz ZBZPWFMWYRNOOP-UHFFFAOYSA-N 2 0 336.440 -0.063 20 0 EBADRP O=C(CNC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000634249814 379991068 /nfs/dbraw/zinc/99/10/68/379991068.db2.gz NQWZPAJKGNYGOB-HUUCEWRRSA-N 2 0 337.468 -0.161 20 0 EBADRP C[C@@H](C(=O)NCCN1CCN(C(=O)[C@H](C)[NH+](C)C)CC1)[NH+](C)C ZINC000614909036 380034401 /nfs/dbraw/zinc/03/44/01/380034401.db2.gz ODATYGQNHDDZCX-KBPBESRZSA-N 2 0 327.473 -0.853 20 0 EBADRP CO[C@@H](C[NH3+])C(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000353460130 380073860 /nfs/dbraw/zinc/07/38/60/380073860.db2.gz NVFZYWQYEWXFRO-GJZGRUSLSA-N 2 0 328.457 -0.787 20 0 EBADRP COCC[NH+]1CCC(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000354703648 380085701 /nfs/dbraw/zinc/08/57/01/380085701.db2.gz ZTIBVAUDWQWNJT-CQSZACIVSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000355324463 380185209 /nfs/dbraw/zinc/18/52/09/380185209.db2.gz UKQQWOKBZUAFOO-CYBMUJFWSA-N 2 0 328.457 -0.737 20 0 EBADRP O=C(CN1CC[NH2+]CC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000638142146 380206335 /nfs/dbraw/zinc/20/63/35/380206335.db2.gz YOAMMMVGUMDGNX-UHFFFAOYSA-N 3 0 346.479 -0.385 20 0 EBADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3OCC[C@@H]3[NH3+])cn2)CC1 ZINC000638137455 380199313 /nfs/dbraw/zinc/19/93/13/380199313.db2.gz VLQCWIPQGOHHGT-GOEBONIOSA-N 2 0 333.436 -0.044 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1cscn1 ZINC000550744592 380258128 /nfs/dbraw/zinc/25/81/28/380258128.db2.gz PUKGCJDSCKMHKL-UHFFFAOYSA-N 2 0 341.481 -0.246 20 0 EBADRP Cc1c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nnn1-c1ccn(C)n1 ZINC000550721766 380258399 /nfs/dbraw/zinc/25/83/99/380258399.db2.gz PMZCFQSFVWXPLR-UHFFFAOYSA-N 2 0 348.455 -0.125 20 0 EBADRP NC(=O)NC(=O)CC[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000548826290 380232465 /nfs/dbraw/zinc/23/24/65/380232465.db2.gz KUKSVGYYPABPBC-UHFFFAOYSA-N 2 0 333.436 -0.021 20 0 EBADRP CCNC(=O)CN1CCCN(C(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638272754 380327110 /nfs/dbraw/zinc/32/71/10/380327110.db2.gz BLEAVPCCNFKQIV-XJKSGUPXSA-N 2 0 326.441 -0.576 20 0 EBADRP [NH3+]C[C@]1(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCCOC1 ZINC000638219757 380289323 /nfs/dbraw/zinc/28/93/23/380289323.db2.gz LEQJNZCEXULNDO-DGCLKSJQSA-N 2 0 338.374 -0.306 20 0 EBADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000638226418 380293345 /nfs/dbraw/zinc/29/33/45/380293345.db2.gz GFRFHAUBNLGDQD-MSOLQXFVSA-N 2 0 345.491 -0.048 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000564586090 380374960 /nfs/dbraw/zinc/37/49/60/380374960.db2.gz ORYRRQBYMDXTOY-UHFFFAOYSA-N 2 0 337.424 -0.555 20 0 EBADRP C[NH+](C)C1(CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CCOCC1 ZINC000564918527 380384299 /nfs/dbraw/zinc/38/42/99/380384299.db2.gz WCJXJEWGVINDKO-CYBMUJFWSA-N 2 0 336.440 -0.129 20 0 EBADRP CC[NH+]1CCC(CCNC(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000565529058 380423691 /nfs/dbraw/zinc/42/36/91/380423691.db2.gz HTVUNOBUKLYIJB-UHFFFAOYSA-N 2 0 325.457 -0.161 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000362943374 380444871 /nfs/dbraw/zinc/44/48/71/380444871.db2.gz YECLWYPMVISCGD-HOTGVXAUSA-N 2 0 326.485 -0.310 20 0 EBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000340356481 380471978 /nfs/dbraw/zinc/47/19/78/380471978.db2.gz VTXOLEPKDXLOKI-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP O=C([C@H]1CC12CC[NH2+]CC2)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638479839 380482657 /nfs/dbraw/zinc/48/26/57/380482657.db2.gz FKTKYUYSLMDHEG-CQSZACIVSA-N 2 0 335.452 -0.455 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H]1CCn2ccnc2C1 ZINC000340550157 380536331 /nfs/dbraw/zinc/53/63/31/380536331.db2.gz JDQWVWHIRYMCLO-ZDUSSCGKSA-N 2 0 337.424 -0.601 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(C2CCC2)CC1 ZINC000340551253 380539306 /nfs/dbraw/zinc/53/93/06/380539306.db2.gz SACHGKISSHFYQZ-UHFFFAOYSA-N 2 0 340.468 -0.232 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000340583568 380557579 /nfs/dbraw/zinc/55/75/79/380557579.db2.gz HNTMLGURAHOAJJ-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP [NH3+]CC1(O)CC[NH+](CCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000567986808 380562028 /nfs/dbraw/zinc/56/20/28/380562028.db2.gz FBTGYBHZPKIPCZ-UHFFFAOYSA-N 2 0 347.463 -0.094 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CCOCC[NH3+])CC1=O ZINC000638675986 380569197 /nfs/dbraw/zinc/56/91/97/380569197.db2.gz MVZBTGXOBSTDJJ-HUUCEWRRSA-N 2 0 340.468 -0.247 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)Cn1ccnc1 ZINC000340652203 380577585 /nfs/dbraw/zinc/57/75/85/380577585.db2.gz WSOLCODKQFOTDK-UONOGXRCSA-N 2 0 337.424 -0.385 20 0 EBADRP C[C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000340793817 380632759 /nfs/dbraw/zinc/63/27/59/380632759.db2.gz JRZGUZKPXPQLOV-CABCVRRESA-N 2 0 341.500 -0.558 20 0 EBADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCCCC2)CC1=O ZINC000340822969 380639015 /nfs/dbraw/zinc/63/90/15/380639015.db2.gz MVBDPDIUUKSJEH-LSDHHAIUSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2cccc(-n3cncn3)c2)CC1 ZINC000573317735 380667102 /nfs/dbraw/zinc/66/71/02/380667102.db2.gz TZZLQLNHYNZEJS-QGZVFWFLSA-N 2 0 330.436 -0.035 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH+]1CCOC ZINC000341567295 380710037 /nfs/dbraw/zinc/71/00/37/380710037.db2.gz SYMSPVJBHZTBRP-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000573091002 380658406 /nfs/dbraw/zinc/65/84/06/380658406.db2.gz SSXDAJDBTUSTHH-ILXRZTDVSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000576040582 380756314 /nfs/dbraw/zinc/75/63/14/380756314.db2.gz LXIAQSIVHMWHMB-KBPBESRZSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000576123238 380759116 /nfs/dbraw/zinc/75/91/16/380759116.db2.gz ALFQPRXODSMNEC-KGLIPLIRSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174712134 380760691 /nfs/dbraw/zinc/76/06/91/380760691.db2.gz WLRJZBKWWTTWJY-CYBMUJFWSA-N 2 0 325.457 -0.068 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000574504543 380714252 /nfs/dbraw/zinc/71/42/52/380714252.db2.gz VDSRRTZCAYKMPT-UHFFFAOYSA-N 2 0 337.468 -0.064 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000341547181 380716307 /nfs/dbraw/zinc/71/63/07/380716307.db2.gz NAZZDYZMSLWVFH-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000342009501 380750963 /nfs/dbraw/zinc/75/09/63/380750963.db2.gz BELJOLHCMJCCTF-HUUCEWRRSA-N 2 0 340.468 -0.500 20 0 EBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@]3(C[NH3+])CCCOC3)CC2)C1=O ZINC000638856680 380774812 /nfs/dbraw/zinc/77/48/12/380774812.db2.gz RDSWYKDETLQRBZ-PBHICJAKSA-N 2 0 338.452 -0.447 20 0 EBADRP CC[NH+]1CCN(CCC(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)CC1 ZINC000576529131 380774796 /nfs/dbraw/zinc/77/47/96/380774796.db2.gz FAKFZESLRFOSTE-AWEZNQCLSA-N 2 0 327.473 -0.804 20 0 EBADRP COC(=O)C[C@H](C)N1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000374324432 380788574 /nfs/dbraw/zinc/78/85/74/380788574.db2.gz MDKZHQYCLYUUAY-GJZGRUSLSA-N 2 0 338.452 -0.528 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000416863914 380795157 /nfs/dbraw/zinc/79/51/57/380795157.db2.gz HLOGUNVTRQOJRC-OAHLLOKOSA-N 2 0 327.473 -0.452 20 0 EBADRP CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000374880796 380815422 /nfs/dbraw/zinc/81/54/22/380815422.db2.gz RVRSZBGVODWSFD-AWEZNQCLSA-N 2 0 346.497 -0.447 20 0 EBADRP C[C@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC[N@@H+]1CC(C)(C)O ZINC000577368210 380817827 /nfs/dbraw/zinc/81/78/27/380817827.db2.gz HXTBWCGVBZXWMD-KBPBESRZSA-N 2 0 327.473 -0.623 20 0 EBADRP C[NH+](C)CC1CCC(NC(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000577712504 380837743 /nfs/dbraw/zinc/83/77/43/380837743.db2.gz ZIIWYIRLXLMUDN-UHFFFAOYSA-N 2 0 325.457 -0.162 20 0 EBADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000578226383 380911616 /nfs/dbraw/zinc/91/16/16/380911616.db2.gz KLXZOFLUTLCUMJ-UONOGXRCSA-N 2 0 325.457 -0.162 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CCO1 ZINC000578878161 380958260 /nfs/dbraw/zinc/95/82/60/380958260.db2.gz MLNKWUHTEHQIHV-LSDHHAIUSA-N 2 0 338.452 -0.351 20 0 EBADRP CC[NH2+]CCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000579932448 381023600 /nfs/dbraw/zinc/02/36/00/381023600.db2.gz YAFGBXGGOQNPLJ-CQSZACIVSA-N 2 0 325.457 -0.066 20 0 EBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C[C@H]1CSCC[NH2+]1 ZINC000193706844 381042967 /nfs/dbraw/zinc/04/29/67/381042967.db2.gz MFAKMIFCPRYSDD-QWHCGFSZSA-N 2 0 328.482 -0.072 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCn2cncc2C1 ZINC000581534335 381083237 /nfs/dbraw/zinc/08/32/37/381083237.db2.gz BDUGBZCUOKXHDJ-UHFFFAOYSA-N 2 0 336.440 -0.823 20 0 EBADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](O)CN2CCOCC2)CC1 ZINC000581543405 381083380 /nfs/dbraw/zinc/08/33/80/381083380.db2.gz FDWALIMHRMFTOI-IRXDYDNUSA-N 2 0 328.501 -0.457 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000581657488 381091766 /nfs/dbraw/zinc/09/17/66/381091766.db2.gz RFVGJIMKRHQXMG-MJBXVCDLSA-N 2 0 338.452 -0.088 20 0 EBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000642440183 381093871 /nfs/dbraw/zinc/09/38/71/381093871.db2.gz YDJLEFKGBLKVOL-MCIONIFRSA-N 2 0 326.441 -0.448 20 0 EBADRP CN1CCN(C(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)[C@@H](C[NH3+])C1 ZINC000583074483 381097368 /nfs/dbraw/zinc/09/73/68/381097368.db2.gz HOFLQHFQABHKCF-INIZCTEOSA-N 2 0 347.463 -0.534 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000418393758 381123091 /nfs/dbraw/zinc/12/30/91/381123091.db2.gz YKEALYCHKWNQHJ-ZIAGYGMSSA-N 2 0 325.457 -0.082 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1 ZINC000581430226 381076530 /nfs/dbraw/zinc/07/65/30/381076530.db2.gz RHRNKAVWMYNQKS-AWEZNQCLSA-N 2 0 345.407 -0.032 20 0 EBADRP CN1CCN(C(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)[C@@H](C[NH3+])C1 ZINC000583312343 381125523 /nfs/dbraw/zinc/12/55/23/381125523.db2.gz GQZKVAGMCQIZPS-KBPBESRZSA-N 2 0 339.484 -0.676 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC[C@H]1[NH3+] ZINC000583746992 381132321 /nfs/dbraw/zinc/13/23/21/381132321.db2.gz JRRJSQRPQFYMPG-UONOGXRCSA-N 3 0 327.473 -0.866 20 0 EBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000584782029 381211140 /nfs/dbraw/zinc/21/11/40/381211140.db2.gz SUYNCQDHSPQUEL-ZIAGYGMSSA-N 2 0 340.468 -0.201 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418762402 381262440 /nfs/dbraw/zinc/26/24/40/381262440.db2.gz MCJRRLFOQBZTIA-OAHLLOKOSA-N 2 0 329.489 -0.110 20 0 EBADRP O=C(CNC(=O)NC[C@H]1C[NH2+]CCO1)NCC[NH+]1CCCCCC1 ZINC000418765064 381264068 /nfs/dbraw/zinc/26/40/68/381264068.db2.gz LELJBNZPFFPDPV-CQSZACIVSA-N 2 0 341.456 -0.734 20 0 EBADRP C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)CNC(=O)C[NH3+])CC1 ZINC000347620792 381238647 /nfs/dbraw/zinc/23/86/47/381238647.db2.gz JRJXERLJUGCURO-UHFFFAOYSA-N 2 0 347.419 -0.522 20 0 EBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000347957304 381294835 /nfs/dbraw/zinc/29/48/35/381294835.db2.gz DCFROSZFERTPRM-OAHLLOKOSA-N 2 0 341.500 -0.605 20 0 EBADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)[NH+](C)C)c1 ZINC000418839093 381297026 /nfs/dbraw/zinc/29/70/26/381297026.db2.gz CZXIKWIGFBLUFZ-DZGCQCFKSA-N 2 0 334.420 -0.026 20 0 EBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000347960474 381297455 /nfs/dbraw/zinc/29/74/55/381297455.db2.gz HFNFYOOKTMKCQP-GJZGRUSLSA-N 2 0 339.484 -0.851 20 0 EBADRP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000418921556 381341914 /nfs/dbraw/zinc/34/19/14/381341914.db2.gz MCCZHYIYZIYVGI-CQSZACIVSA-N 2 0 328.457 -0.473 20 0 EBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000418879685 381326558 /nfs/dbraw/zinc/32/65/58/381326558.db2.gz NUUTTYHJGCJIAZ-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000418876906 381326662 /nfs/dbraw/zinc/32/66/62/381326662.db2.gz HKVXFNVFBMSMLS-KBPBESRZSA-N 2 0 328.457 -0.297 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000418883584 381330572 /nfs/dbraw/zinc/33/05/72/381330572.db2.gz VEZOCLFUCKMXMZ-KFWWJZLASA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000418883587 381331229 /nfs/dbraw/zinc/33/12/29/381331229.db2.gz VEZOCLFUCKMXMZ-ZNMIVQPWSA-N 2 0 340.468 -0.282 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000418917922 381339321 /nfs/dbraw/zinc/33/93/21/381339321.db2.gz IORZTBVGUFTRII-HUUCEWRRSA-N 2 0 340.468 -0.282 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000348019937 381311574 /nfs/dbraw/zinc/31/15/74/381311574.db2.gz QFCQYERTBNKAKZ-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP CN(CC[NH3+])C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418865923 381316166 /nfs/dbraw/zinc/31/61/66/381316166.db2.gz SICYBYSEEZDELT-UHFFFAOYSA-N 2 0 347.463 -0.663 20 0 EBADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000418938168 381343814 /nfs/dbraw/zinc/34/38/14/381343814.db2.gz PKCFFOZTNCDAEB-CQSZACIVSA-N 2 0 328.457 -0.199 20 0 EBADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419117954 381379665 /nfs/dbraw/zinc/37/96/65/381379665.db2.gz IBDPFJKTIWEPIG-OAHLLOKOSA-N 2 0 339.484 -0.612 20 0 EBADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419028068 381357641 /nfs/dbraw/zinc/35/76/41/381357641.db2.gz PULNXKHSQZZYNB-BARDWOONSA-N 2 0 340.468 -0.426 20 0 EBADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000419032785 381358524 /nfs/dbraw/zinc/35/85/24/381358524.db2.gz XFFWBDWBZIMLHE-ZIAGYGMSSA-N 2 0 340.468 -0.201 20 0 EBADRP O=C(NCCC[NH+]1CCCCC1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418994805 381360493 /nfs/dbraw/zinc/36/04/93/381360493.db2.gz IIBHNRRPQJFNPS-UHFFFAOYSA-N 2 0 325.457 -1.000 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000418945163 381343154 /nfs/dbraw/zinc/34/31/54/381343154.db2.gz OYXCKABRKFVBNW-IYBDPMFKSA-N 2 0 330.432 -0.088 20 0 EBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000419289502 381410981 /nfs/dbraw/zinc/41/09/81/381410981.db2.gz TZNCLAINCMIPFZ-KBPBESRZSA-N 2 0 328.457 -0.201 20 0 EBADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419125286 381384695 /nfs/dbraw/zinc/38/46/95/381384695.db2.gz SXHNRKGBFKZTSQ-GJZGRUSLSA-N 2 0 340.468 -0.057 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000419134415 381393044 /nfs/dbraw/zinc/39/30/44/381393044.db2.gz HMYLZBGTLVCYHA-GJZGRUSLSA-N 2 0 340.468 -0.343 20 0 EBADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000419196442 381397961 /nfs/dbraw/zinc/39/79/61/381397961.db2.gz AZLXRBLGKNVVDC-CQSZACIVSA-N 2 0 334.420 -0.197 20 0 EBADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419230933 381401957 /nfs/dbraw/zinc/40/19/57/381401957.db2.gz QMKXMGCEVXBEOY-CABCVRRESA-N 2 0 338.452 -0.528 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000419360467 381421149 /nfs/dbraw/zinc/42/11/49/381421149.db2.gz RVYQMMJISGPOLF-IHRRRGAJSA-N 2 0 326.441 -0.733 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000419354096 381421865 /nfs/dbraw/zinc/42/18/65/381421865.db2.gz KSCZWIPRNJAWHM-UHFFFAOYSA-N 2 0 340.468 -0.327 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000419349323 381422624 /nfs/dbraw/zinc/42/26/24/381422624.db2.gz DBWQUOQEKKKTDC-CYBMUJFWSA-N 2 0 328.457 -0.425 20 0 EBADRP C[N@H+](CCCNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000419403836 381428542 /nfs/dbraw/zinc/42/85/42/381428542.db2.gz FJKZMMYNLHMABC-HNNXBMFYSA-N 2 0 340.468 -0.057 20 0 EBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000419536398 381450466 /nfs/dbraw/zinc/45/04/66/381450466.db2.gz MFCQWPGXEXFYAI-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419413994 381430965 /nfs/dbraw/zinc/43/09/65/381430965.db2.gz DRNVPKUBQHECNX-ZIAGYGMSSA-N 2 0 326.441 -0.447 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)CCOC2C[NH2+]C2)CC1 ZINC000349054524 381432815 /nfs/dbraw/zinc/43/28/15/381432815.db2.gz NWQPYQSXIDTQAN-UHFFFAOYSA-N 2 0 326.441 -0.623 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000419451557 381441021 /nfs/dbraw/zinc/44/10/21/381441021.db2.gz NOGBWSMLWSAWDB-ZIAGYGMSSA-N 2 0 328.457 -0.343 20 0 EBADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000419488054 381446785 /nfs/dbraw/zinc/44/67/85/381446785.db2.gz ZVYJANPMWHNGNT-HUUCEWRRSA-N 2 0 340.468 -0.057 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000419533787 381448437 /nfs/dbraw/zinc/44/84/37/381448437.db2.gz JBJNVDQSJWVKOF-ZIAGYGMSSA-N 2 0 328.457 -0.297 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000419722124 381478430 /nfs/dbraw/zinc/47/84/30/381478430.db2.gz DIBTXKBXLRDIEP-KBPBESRZSA-N 2 0 340.468 -0.282 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000419722945 381481146 /nfs/dbraw/zinc/48/11/46/381481146.db2.gz FEWBOCJDNVJUQA-XQLPTFJDSA-N 2 0 338.452 -0.591 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000419678334 381481637 /nfs/dbraw/zinc/48/16/37/381481637.db2.gz OFDFKHXVNFQUKG-KBPBESRZSA-N 2 0 328.457 -0.343 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000419549475 381452524 /nfs/dbraw/zinc/45/25/24/381452524.db2.gz VSLARDJJQIUOEZ-CABCVRRESA-N 2 0 340.468 -0.153 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000419552995 381453114 /nfs/dbraw/zinc/45/31/14/381453114.db2.gz ZJFRTBDJKLSEAP-QLFBSQMISA-N 2 0 340.468 -0.343 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419551801 381453956 /nfs/dbraw/zinc/45/39/56/381453956.db2.gz XVKMTEXHRRNTJI-PBHICJAKSA-N 2 0 338.452 -0.575 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)[N@H+](C)C1CC1 ZINC000419589711 381460109 /nfs/dbraw/zinc/46/01/09/381460109.db2.gz PLXOUBYFWKEVRD-GVXVVHGQSA-N 2 0 326.441 -0.186 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000419592601 381462068 /nfs/dbraw/zinc/46/20/68/381462068.db2.gz SJUAYSQUDYRDDF-ILXRZTDVSA-N 2 0 340.468 -0.058 20 0 EBADRP CC[NH2+]CCNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000419887807 381517719 /nfs/dbraw/zinc/51/77/19/381517719.db2.gz JGBREPNAJXELGA-HNNXBMFYSA-N 2 0 339.484 -0.659 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000419887504 381518044 /nfs/dbraw/zinc/51/80/44/381518044.db2.gz QMDVNWNKDNNDQP-GFCCVEGCSA-N 2 0 333.392 -0.783 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000419735350 381492649 /nfs/dbraw/zinc/49/26/49/381492649.db2.gz WCPHKPVHGOQXEK-LSDHHAIUSA-N 2 0 334.420 -0.361 20 0 EBADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419782511 381494805 /nfs/dbraw/zinc/49/48/05/381494805.db2.gz UIWUWBJXLOUCKW-OLZOCXBDSA-N 2 0 326.441 -0.591 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CCCCC1 ZINC000419816993 381496873 /nfs/dbraw/zinc/49/68/73/381496873.db2.gz LTHWLFARJYQYCI-CYBMUJFWSA-N 2 0 326.441 -0.528 20 0 EBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000419822641 381500181 /nfs/dbraw/zinc/50/01/81/381500181.db2.gz WZUHXRAOQRJYLY-GJZGRUSLSA-N 2 0 334.420 -0.408 20 0 EBADRP [NH3+]CCCNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000419840147 381502306 /nfs/dbraw/zinc/50/23/06/381502306.db2.gz RSGONBSHLKFZBT-UHFFFAOYSA-N 2 0 340.468 -0.198 20 0 EBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000420041757 381528267 /nfs/dbraw/zinc/52/82/67/381528267.db2.gz CLPPMQHHXCHRRQ-AWEZNQCLSA-N 2 0 339.484 -0.532 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000420028590 381531896 /nfs/dbraw/zinc/53/18/96/381531896.db2.gz DWQQDGLZUDYDCS-STQMWFEESA-N 2 0 326.441 -0.230 20 0 EBADRP CCS(=O)(=O)NCCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000420318884 381575802 /nfs/dbraw/zinc/57/58/02/381575802.db2.gz WSMCAWHEIJCNPN-ZDUSSCGKSA-N 2 0 334.486 -0.365 20 0 EBADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NC[C@H]1CCCO1 ZINC000420300813 381577811 /nfs/dbraw/zinc/57/78/11/381577811.db2.gz VFHAQHWUPIVTQF-HUUCEWRRSA-N 2 0 338.452 -0.575 20 0 EBADRP Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(=O)n(C)c1=O ZINC000420328433 381582309 /nfs/dbraw/zinc/58/23/09/381582309.db2.gz MLTKLPJIWLVSLO-NWDGAFQWSA-N 2 0 349.435 -0.830 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000420179359 381562705 /nfs/dbraw/zinc/56/27/05/381562705.db2.gz BMLWOCVPSPAIJM-QLFBSQMISA-N 2 0 340.468 -0.282 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000420188931 381564125 /nfs/dbraw/zinc/56/41/25/381564125.db2.gz UAUJNUVNAWRANN-CQSZACIVSA-N 2 0 326.441 -0.575 20 0 EBADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000420193331 381566432 /nfs/dbraw/zinc/56/64/32/381566432.db2.gz IPJQZKKZVSASRH-CABCVRRESA-N 2 0 338.452 -0.432 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000074254048 381606352 /nfs/dbraw/zinc/60/63/52/381606352.db2.gz QZUYSJJRXLKDQG-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@H]1CC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@@H]1C[NH3+] ZINC000420409341 381584775 /nfs/dbraw/zinc/58/47/75/381584775.db2.gz QMOVQRWPVSTNEN-STQMWFEESA-N 2 0 348.451 -0.260 20 0 EBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CCO1 ZINC000643483372 381610565 /nfs/dbraw/zinc/61/05/65/381610565.db2.gz YWMNIBVNDJLCQC-UKRRQHHQSA-N 2 0 338.452 -0.352 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000571777530 381620757 /nfs/dbraw/zinc/62/07/57/381620757.db2.gz VSJSIHOTKRSSDD-HNNXBMFYSA-N 2 0 337.468 -0.064 20 0 EBADRP Cn1c2ncn(CC[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)c2c(=O)n(C)c1=O ZINC000351482059 381626285 /nfs/dbraw/zinc/62/62/85/381626285.db2.gz YNQQAMSYVZGCSA-QJPTWQEYSA-N 2 0 332.408 -0.897 20 0 EBADRP NC(=O)COc1ccc(CNC(=O)CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000351495687 381630772 /nfs/dbraw/zinc/63/07/72/381630772.db2.gz PVTQEQCQRAETAN-IMJJTQAJSA-N 2 0 346.431 -0.164 20 0 EBADRP CC[C@@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+]1C[C@@H](C)O ZINC000351552405 381641045 /nfs/dbraw/zinc/64/10/45/381641045.db2.gz AEDVAJTYVISYQG-MCIONIFRSA-N 2 0 326.441 -0.842 20 0 EBADRP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000331975892 381735639 /nfs/dbraw/zinc/73/56/39/381735639.db2.gz MLKBOKYTRQIKSC-OAHLLOKOSA-N 2 0 338.452 -0.575 20 0 EBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(CCOC)CC[NH+](C)C)C1 ZINC000612549316 381840461 /nfs/dbraw/zinc/84/04/61/381840461.db2.gz XGJCPXSWURBBHB-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC[NH2+]1 ZINC000332548566 381810256 /nfs/dbraw/zinc/81/02/56/381810256.db2.gz OIFZQAFMIMEXEO-AWEZNQCLSA-N 2 0 338.452 -0.623 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000352086112 381870265 /nfs/dbraw/zinc/87/02/65/381870265.db2.gz ADZKARSFZJIRQV-ZBFHGGJFSA-N 2 0 341.500 -0.524 20 0 EBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@]2(C)CC[NH2+]C2)CC1 ZINC000612879050 381874907 /nfs/dbraw/zinc/87/49/07/381874907.db2.gz RRIXIMMVIWKSMT-MRXNPFEDSA-N 2 0 325.457 -0.020 20 0 EBADRP CCN1CCN(C(=O)[C@@H](C)N2CCC[C@]3(C2)NC(=O)NC3=O)CC1 ZINC000333199075 381895776 /nfs/dbraw/zinc/89/57/76/381895776.db2.gz YHBPRNWIDCNXFE-MLGOLLRUSA-N 2 0 337.424 -0.787 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CCO1 ZINC000643498772 381905392 /nfs/dbraw/zinc/90/53/92/381905392.db2.gz TWIIUUOCZDSWCZ-RRFJBIMHSA-N 2 0 338.452 -0.352 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000627464414 381906308 /nfs/dbraw/zinc/90/63/08/381906308.db2.gz AQVXGVZLTCYCBS-OAHLLOKOSA-N 2 0 340.468 -0.185 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000333467862 381925089 /nfs/dbraw/zinc/92/50/89/381925089.db2.gz AKNSUZOSKNEVHW-LSDHHAIUSA-N 2 0 337.468 -0.066 20 0 EBADRP CC[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC[C@@H]1[NH3+] ZINC000643509779 381927907 /nfs/dbraw/zinc/92/79/07/381927907.db2.gz SPRKBGOXTSMCCJ-GJZGRUSLSA-N 3 0 341.500 -0.476 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643509769 381928646 /nfs/dbraw/zinc/92/86/46/381928646.db2.gz SCFMJUCNMPGQHS-CABCVRRESA-N 3 0 339.484 -0.851 20 0 EBADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627469452 381960786 /nfs/dbraw/zinc/96/07/86/381960786.db2.gz VBYWUPVQVQXHCZ-HNNXBMFYSA-N 2 0 342.484 -0.083 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000333827297 381961815 /nfs/dbraw/zinc/96/18/15/381961815.db2.gz LWBKYJQPDKVGNZ-KFWWJZLASA-N 2 0 337.468 -0.068 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)CCC[NH+]2CCCC2)CCO1 ZINC000643514918 382011575 /nfs/dbraw/zinc/01/15/75/382011575.db2.gz GAOIFTFDKLZTME-UONOGXRCSA-N 2 0 326.441 -0.495 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000352870422 382052067 /nfs/dbraw/zinc/05/20/67/382052067.db2.gz LADBPWOERDMUOX-QLFBSQMISA-N 2 0 340.468 -0.106 20 0 EBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000643516773 382022305 /nfs/dbraw/zinc/02/23/05/382022305.db2.gz UGIAEIAGXPIEJO-PMPSAXMXSA-N 2 0 349.479 -0.812 20 0 EBADRP COC(=O)CN(C)C(=O)CC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000609672339 382037388 /nfs/dbraw/zinc/03/73/88/382037388.db2.gz AMJBFTXXABVWDR-OAHLLOKOSA-N 2 0 340.468 -0.280 20 0 EBADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000446100962 382176426 /nfs/dbraw/zinc/17/64/26/382176426.db2.gz RJHSVVBXFVMVCY-GOSISDBHSA-N 2 0 348.447 -0.088 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)cn1 ZINC000444269788 382145791 /nfs/dbraw/zinc/14/57/91/382145791.db2.gz NKBIDMFGZBNKPH-CJNGLKHVSA-N 2 0 334.424 -0.501 20 0 EBADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C ZINC000445536645 382167483 /nfs/dbraw/zinc/16/74/83/382167483.db2.gz FDTFPOMBVWUYLV-CQSZACIVSA-N 2 0 336.436 -0.232 20 0 EBADRP O=S1(=O)C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@H](N2CCOCC2)C1 ZINC000329403857 155225111 /nfs/dbraw/zinc/22/51/11/155225111.db2.gz WVHXQWJTGDNLNI-FXUDXRNXSA-N 2 0 343.493 -0.299 20 0 EBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCC[N@H+](C)CCOC)C2)CC1 ZINC000106557324 154090708 /nfs/dbraw/zinc/09/07/08/154090708.db2.gz RYFZWYZQUCHVNR-MRXNPFEDSA-N 2 0 341.500 -0.014 20 0 EBADRP C[NH+]1CCN(c2cc(C(=O)NCCCN3CC[NH2+]CC3)ccn2)CC1 ZINC000237236917 154171238 /nfs/dbraw/zinc/17/12/38/154171238.db2.gz ZERSOTKMZWAFFL-UHFFFAOYSA-N 2 0 346.479 -0.142 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261647054 154196693 /nfs/dbraw/zinc/19/66/93/154196693.db2.gz JEKDUPIOTNKZEX-RWMBFGLXSA-N 2 0 339.440 -0.589 20 0 EBADRP CCS(=O)(=O)NCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261817694 154201327 /nfs/dbraw/zinc/20/13/27/154201327.db2.gz KACPHYDZCZPXNB-KGLIPLIRSA-N 2 0 346.497 -0.494 20 0 EBADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)CNC(=O)C[NH3+])CC1 ZINC000262100803 154213545 /nfs/dbraw/zinc/21/35/45/154213545.db2.gz CHLCRLAHQRXQBE-UHFFFAOYSA-N 2 0 347.463 -0.485 20 0 EBADRP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000262268800 154221693 /nfs/dbraw/zinc/22/16/93/154221693.db2.gz YHJRHVWAQULLAQ-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262409760 154229739 /nfs/dbraw/zinc/22/97/39/154229739.db2.gz PCWCBWUNCZPBRA-IAGOWNOFSA-N 2 0 332.448 -0.357 20 0 EBADRP [NH3+]CC(=O)NCC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000262447761 154232122 /nfs/dbraw/zinc/23/21/22/154232122.db2.gz VNSSKUZVAIWWNX-UHFFFAOYSA-N 2 0 328.482 -0.071 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000263271653 154256179 /nfs/dbraw/zinc/25/61/79/154256179.db2.gz XBLPYYPPWQPEEG-HNNXBMFYSA-N 2 0 326.441 -0.591 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000343015248 156086230 /nfs/dbraw/zinc/08/62/30/156086230.db2.gz OEYOWWISZXRXOZ-CQSZACIVSA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000343143133 156104761 /nfs/dbraw/zinc/10/47/61/156104761.db2.gz OJTHFXMOMSAWNA-LSDHHAIUSA-N 2 0 342.484 -0.083 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000343289183 156119022 /nfs/dbraw/zinc/11/90/22/156119022.db2.gz RTBNWFQLNJFEBH-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](CCOC)C2)C1 ZINC000343882617 156178033 /nfs/dbraw/zinc/17/80/33/156178033.db2.gz DWCHDOMBEJRBLM-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](CCOC)C1 ZINC000343887617 156178317 /nfs/dbraw/zinc/17/83/17/156178317.db2.gz JSOAPPRJMMVLLY-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000343892895 156180554 /nfs/dbraw/zinc/18/05/54/156180554.db2.gz PXXSRGXNUYOQHY-UONOGXRCSA-N 2 0 342.484 -0.084 20 0 EBADRP C[C@@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343916139 156188437 /nfs/dbraw/zinc/18/84/37/156188437.db2.gz AZCMYAUAAARBKV-SQNIBIBYSA-N 2 0 340.512 -0.363 20 0 EBADRP O=C(NCC1CC[NH+](CCO)CC1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000344634763 156249135 /nfs/dbraw/zinc/24/91/35/156249135.db2.gz CCIJBSZSRMYVIO-OAHLLOKOSA-N 2 0 338.452 -0.887 20 0 EBADRP CC[NH+]1CCN(CCNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000346124790 156386900 /nfs/dbraw/zinc/38/69/00/156386900.db2.gz DSNCCIKKEXAXFL-HNNXBMFYSA-N 2 0 339.484 -0.850 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000355887234 157031702 /nfs/dbraw/zinc/03/17/02/157031702.db2.gz DTLGOJWAYPKQAZ-OAHLLOKOSA-N 2 0 339.484 -0.804 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000356943625 157106431 /nfs/dbraw/zinc/10/64/31/157106431.db2.gz CWDKMMDAZARWDA-GFCCVEGCSA-N 2 0 341.456 -0.390 20 0 EBADRP COC[C@@]1(CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CCC[NH2+]1 ZINC000357256274 157130172 /nfs/dbraw/zinc/13/01/72/157130172.db2.gz KCRCCYLLVYHBET-CJNGLKHVSA-N 2 0 326.441 -0.719 20 0 EBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000358061637 157205078 /nfs/dbraw/zinc/20/50/78/157205078.db2.gz GYNVHGIDFTXSRE-QGZVFWFLSA-N 2 0 333.436 -0.370 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000358571998 157262754 /nfs/dbraw/zinc/26/27/54/157262754.db2.gz PTBDGTVYIILCRK-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000358578078 157263779 /nfs/dbraw/zinc/26/37/79/157263779.db2.gz YBLSBRYUYSUUSP-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP O=S(=O)(N1CCOCC1)N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000359190119 157301206 /nfs/dbraw/zinc/30/12/06/157301206.db2.gz MKDGQGPMWBBTCT-UHFFFAOYSA-N 2 0 346.497 -0.429 20 0 EBADRP CNc1nc(NCC[NH+]2CCCC2)nc(NCC[NH+]2CCCC2)n1 ZINC000359503779 157328985 /nfs/dbraw/zinc/32/89/85/157328985.db2.gz BAGFRCWOUKAQPM-UHFFFAOYSA-N 2 0 334.472 -0.806 20 0 EBADRP C[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)N1CC[NH+](C)CC1 ZINC000360225740 157366759 /nfs/dbraw/zinc/36/67/59/157366759.db2.gz RZRHRYOSDIKUGH-CABCVRRESA-N 2 0 339.484 -0.851 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000360270633 157369905 /nfs/dbraw/zinc/36/99/05/157369905.db2.gz FWUJJIBRRDHSTA-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000418923735 418946519 /nfs/dbraw/zinc/94/65/19/418946519.db2.gz OCTJAZFMAFJRNV-QLFBSQMISA-N 2 0 340.468 -0.155 20 0 EBADRP CCOCCN1CCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)CC1 ZINC000410469197 419030833 /nfs/dbraw/zinc/03/08/33/419030833.db2.gz CBSXIAIUCMVBFK-OAHLLOKOSA-N 2 0 340.468 -0.280 20 0 EBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000410468804 419030960 /nfs/dbraw/zinc/03/09/60/419030960.db2.gz BNGPYVQMZGDNOG-AWEZNQCLSA-N 2 0 348.451 -0.394 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000410500166 419035433 /nfs/dbraw/zinc/03/54/33/419035433.db2.gz AAVSEDQEXRRVKO-CQSZACIVSA-N 2 0 328.457 -0.424 20 0 EBADRP CC[NH+](CC)CCN(C(=O)[C@@H]1C[NH2+]CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000648149272 418983144 /nfs/dbraw/zinc/98/31/44/418983144.db2.gz FZSPGWNAXQMZPI-KGLIPLIRSA-N 2 0 347.481 -0.668 20 0 EBADRP O=C(Nc1ccccc1OCCN1CC[NH2+]CC1)[C@@H]1C[NH2+]CCO1 ZINC000647088485 418983846 /nfs/dbraw/zinc/98/38/46/418983846.db2.gz LJQATYYZIGZOCW-INIZCTEOSA-N 2 0 334.420 -0.103 20 0 EBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653119274 418989295 /nfs/dbraw/zinc/98/92/95/418989295.db2.gz DPKLOUKQVTXFCH-GUYCJALGSA-N 2 0 338.452 -0.719 20 0 EBADRP O=C(N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000655297508 418994215 /nfs/dbraw/zinc/99/42/15/418994215.db2.gz JRKMZJNVASJCFY-YQVWRLOYSA-N 2 0 345.443 -0.099 20 0 EBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000516866266 418999649 /nfs/dbraw/zinc/99/96/49/418999649.db2.gz JRTYYQNWIBROFH-CABCVRRESA-N 2 0 338.452 -0.575 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C[C@@]1(C(=O)N(C)CC(C)(C)[NH3+])CC[NH2+]C1 ZINC000662845612 419001551 /nfs/dbraw/zinc/00/15/51/419001551.db2.gz WFQGZIFZIUCJLQ-KRWDZBQOSA-N 3 0 341.500 -0.252 20 0 EBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000644124060 419103521 /nfs/dbraw/zinc/10/35/21/419103521.db2.gz OJABCXXLPUCGRP-KBPBESRZSA-N 2 0 326.441 -0.399 20 0 EBADRP C[C@@H](NC(=O)C(=O)NCCC1CC[NH2+]CC1)[C@H](C)N1CCOCC1 ZINC000652690731 419063309 /nfs/dbraw/zinc/06/33/09/419063309.db2.gz NBWPGFJZKUEHCF-KGLIPLIRSA-N 2 0 340.468 -0.282 20 0 EBADRP CC1(C)NC(=O)CC[C@@H]1[NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000644537935 419170162 /nfs/dbraw/zinc/17/01/62/419170162.db2.gz HQOLJOTYTWUMRJ-KGLIPLIRSA-N 2 0 338.452 -0.434 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000644598269 419171853 /nfs/dbraw/zinc/17/18/53/419171853.db2.gz ISMIYAWZWICTRU-DLBZAZTESA-N 2 0 338.496 -0.025 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C[C@H]1C[NH3+] ZINC000652681579 419251793 /nfs/dbraw/zinc/25/17/93/419251793.db2.gz NRZJGXGVVRIJQU-SFDCQRBFSA-N 2 0 338.452 -0.450 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000652623299 419241404 /nfs/dbraw/zinc/24/14/04/419241404.db2.gz FTQZSBZRKAZPQM-QGZVFWFLSA-N 2 0 348.451 -0.015 20 0 EBADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000652621950 419241697 /nfs/dbraw/zinc/24/16/97/419241697.db2.gz ZFOPKFMGNKQTLD-OLZOCXBDSA-N 2 0 336.440 -0.031 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000531857148 419273931 /nfs/dbraw/zinc/27/39/31/419273931.db2.gz YFSQIXAJXTUGFC-STQMWFEESA-N 2 0 329.445 -0.846 20 0 EBADRP C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000410892914 419280133 /nfs/dbraw/zinc/28/01/33/419280133.db2.gz XHHYYZDMZAWJHT-CQSZACIVSA-N 2 0 340.468 -0.282 20 0 EBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN(C[C@@H](C)O)CC2)C1 ZINC000411029124 419287127 /nfs/dbraw/zinc/28/71/27/419287127.db2.gz PVWBQQKVTDBWSW-CABCVRRESA-N 2 0 340.468 -0.548 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652712934 419304209 /nfs/dbraw/zinc/30/42/09/419304209.db2.gz DOTIUVLXNCGEAM-CQSZACIVSA-N 2 0 340.468 -0.199 20 0 EBADRP COc1ccc(S(N)(=O)=O)cc1NC(=O)CN(C)CCC[NH3+] ZINC000647848609 419310195 /nfs/dbraw/zinc/31/01/95/419310195.db2.gz YGJOKATVSFFGTH-UHFFFAOYSA-N 2 0 330.410 -0.438 20 0 EBADRP C[N@H+](CCC[NH3+])CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000647849022 419310426 /nfs/dbraw/zinc/31/04/26/419310426.db2.gz DXEDNQXWZFAFDI-UHFFFAOYSA-N 2 0 342.465 -0.337 20 0 EBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCC(=O)N1 ZINC000264443349 419316114 /nfs/dbraw/zinc/31/61/14/419316114.db2.gz YZBLTGCJQRLWSB-OAHLLOKOSA-N 2 0 331.420 -0.012 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+](CC)CC)C2)C[C@H]1C[NH3+] ZINC000652726843 419320664 /nfs/dbraw/zinc/32/06/64/419320664.db2.gz QPRMLHMXTZSKIK-RBSFLKMASA-N 2 0 340.468 -0.249 20 0 EBADRP CN(CCO)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000285745746 419337046 /nfs/dbraw/zinc/33/70/46/419337046.db2.gz AUQXUHXDORPXAP-UHFFFAOYSA-N 2 0 349.435 -0.839 20 0 EBADRP C[C@H](CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)C[NH+]1CCN(C)CC1 ZINC000647996109 419463625 /nfs/dbraw/zinc/46/36/25/419463625.db2.gz PGDAKZWPTBDVNY-ILXRZTDVSA-N 2 0 327.473 -0.814 20 0 EBADRP COCCCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000392010832 419469238 /nfs/dbraw/zinc/46/92/38/419469238.db2.gz FTCZHLYTCASHBX-GJZGRUSLSA-N 2 0 340.468 -0.281 20 0 EBADRP [NH3+][C@H]1C[C@@H]2CN(CCCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000519426290 419527312 /nfs/dbraw/zinc/52/73/12/419527312.db2.gz HVOQQKNKDQQSCV-DOMZBBRYSA-N 2 0 342.399 -0.084 20 0 EBADRP COc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000527373799 419528016 /nfs/dbraw/zinc/52/80/16/419528016.db2.gz GOIDMHFOCSXSDW-UHFFFAOYSA-N 2 0 337.424 -0.020 20 0 EBADRP Cc1nn(C)c(C)c1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000526131685 419598069 /nfs/dbraw/zinc/59/80/69/419598069.db2.gz CSGWQNBIWXTZHZ-UHFFFAOYSA-N 2 0 338.456 -0.073 20 0 EBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000355276414 419662337 /nfs/dbraw/zinc/66/23/37/419662337.db2.gz HRBIVDUAAWCYGU-CQSZACIVSA-N 2 0 341.500 -0.415 20 0 EBADRP COCCOCCN1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000652999254 419777436 /nfs/dbraw/zinc/77/74/36/419777436.db2.gz RLCVEQNLYIRBDC-MRXNPFEDSA-N 2 0 340.468 -0.817 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CCO1 ZINC000659714255 419784753 /nfs/dbraw/zinc/78/47/53/419784753.db2.gz SLRKNUMADPXKPA-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CCO1 ZINC000659714256 419784794 /nfs/dbraw/zinc/78/47/94/419784794.db2.gz SLRKNUMADPXKPA-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C[C@@H](C)O1 ZINC000420043929 419831032 /nfs/dbraw/zinc/83/10/32/419831032.db2.gz SMQGIJJUKQYGPV-YRGRVCCFSA-N 2 0 326.441 -0.545 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C[C@@H](C)O1 ZINC000420043926 419833025 /nfs/dbraw/zinc/83/30/25/419833025.db2.gz SMQGIJJUKQYGPV-BZPMIXESSA-N 2 0 326.441 -0.545 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)NCC(C)(C)[NH3+])CCN1C1CC[NH+](C)CC1 ZINC000420050530 419835466 /nfs/dbraw/zinc/83/54/66/419835466.db2.gz FIMFQAQWIABQJT-ZDUSSCGKSA-N 2 0 339.484 -0.533 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420024585 419838009 /nfs/dbraw/zinc/83/80/09/419838009.db2.gz AOQIRGQSTPPYEA-ZIAGYGMSSA-N 2 0 326.441 -0.591 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)C[C@@H]2CCC[NH+]2C)C1 ZINC000422301029 419877836 /nfs/dbraw/zinc/87/78/36/419877836.db2.gz WAOAOFMDDKRWPO-KGLIPLIRSA-N 2 0 326.441 -0.624 20 0 EBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000423206082 419921836 /nfs/dbraw/zinc/92/18/36/419921836.db2.gz FTAWJXBOJJYEKV-UONOGXRCSA-N 2 0 326.441 -0.624 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423202302 419923325 /nfs/dbraw/zinc/92/33/25/419923325.db2.gz AMVIRCVPUYMFKV-WMLDXEAASA-N 2 0 340.468 -0.247 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000423262230 419925378 /nfs/dbraw/zinc/92/53/78/419925378.db2.gz MBDOEAGDCBLNPS-ZIAGYGMSSA-N 2 0 328.457 -0.391 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C[C@H](C)[NH2+]1 ZINC000423217777 419926810 /nfs/dbraw/zinc/92/68/10/419926810.db2.gz UTFHFJPHXFPXDT-QLFBSQMISA-N 2 0 340.468 -0.236 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423214373 419927056 /nfs/dbraw/zinc/92/70/56/419927056.db2.gz OVFAWEKHGRCQON-KGLIPLIRSA-N 2 0 326.441 -0.495 20 0 EBADRP CN1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)[C@H](C[NH3+])C1 ZINC000514824411 419972169 /nfs/dbraw/zinc/97/21/69/419972169.db2.gz LMCORGTVVMCLNA-HUUCEWRRSA-N 2 0 337.468 -0.779 20 0 EBADRP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)CN1CCOCC1 ZINC000514933801 419974476 /nfs/dbraw/zinc/97/44/76/419974476.db2.gz ZANBFKUFUIISJS-IKGGRYGDSA-N 2 0 327.469 -0.353 20 0 EBADRP COC1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC[NH2+]CC1 ZINC000167214627 420528176 /nfs/dbraw/zinc/52/81/76/420528176.db2.gz JUFNGKRBIDWLML-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000645978182 420531990 /nfs/dbraw/zinc/53/19/90/420531990.db2.gz WGXBXOSFFOTOKH-HIFRSBDPSA-N 2 0 337.468 -0.861 20 0 EBADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000646009622 420532320 /nfs/dbraw/zinc/53/23/20/420532320.db2.gz XTGSCLDKWKHBJT-CVEARBPZSA-N 2 0 336.480 -0.101 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCCN1CCOC1=O ZINC000491899039 420566136 /nfs/dbraw/zinc/56/61/36/420566136.db2.gz SWKRCAJWGVFZHS-UHFFFAOYSA-N 2 0 329.445 -0.037 20 0 EBADRP CCOC(=O)N1CCC(NC(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000495895207 420612071 /nfs/dbraw/zinc/61/20/71/420612071.db2.gz PBIUZHSUVHDQCT-CYBMUJFWSA-N 2 0 327.429 -0.108 20 0 EBADRP CCOC(=O)N1CCC([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000496161960 420623271 /nfs/dbraw/zinc/62/32/71/420623271.db2.gz QNJITZNREWLHRN-OAHLLOKOSA-N 2 0 328.457 -0.195 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000658537931 420661882 /nfs/dbraw/zinc/66/18/82/420661882.db2.gz YZRGHROIBRXSSX-LSDHHAIUSA-N 2 0 340.468 -0.567 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000517076094 420695649 /nfs/dbraw/zinc/69/56/49/420695649.db2.gz IMWBMLXSWCYFTJ-UHFFFAOYSA-N 3 0 329.489 -0.157 20 0 EBADRP C[NH+]1CCN(c2cc(CNC(=O)NC[C@H]3COCC[NH2+]3)ccn2)CC1 ZINC000529288615 420760192 /nfs/dbraw/zinc/76/01/92/420760192.db2.gz VKOTZZDNLXOVIR-HNNXBMFYSA-N 2 0 348.451 -0.379 20 0 EBADRP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529299856 420760535 /nfs/dbraw/zinc/76/05/35/420760535.db2.gz OKPXRSJCWTVSSK-AWEZNQCLSA-N 2 0 338.456 -0.567 20 0 EBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)NC[C@H]3COCC[NH2+]3)C2)CC1 ZINC000529379354 420765764 /nfs/dbraw/zinc/76/57/64/420765764.db2.gz KLXNHFBZTWQWSV-GJZGRUSLSA-N 2 0 325.457 -0.604 20 0 EBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529379761 420765963 /nfs/dbraw/zinc/76/59/63/420765963.db2.gz SWPRFRRCIGNFHH-KGLIPLIRSA-N 2 0 326.441 -0.131 20 0 EBADRP CCN1CCO[C@H](C(=O)NC[C@]2(CO)COCC3(CCC3)N2C)C1 ZINC000529753469 420772311 /nfs/dbraw/zinc/77/23/11/420772311.db2.gz RLFWRWMABXDRTR-YOEHRIQHSA-N 2 0 341.452 -0.561 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CC2CC[NH2+]CC2)cn1 ZINC000237170633 420733996 /nfs/dbraw/zinc/73/39/96/420733996.db2.gz HKJCGLDXJIZFJX-UHFFFAOYSA-N 2 0 336.440 -0.111 20 0 EBADRP Cn1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(=O)n(C)c1=O ZINC000530248679 420781100 /nfs/dbraw/zinc/78/11/00/420781100.db2.gz OCUPMHWBYAUSOH-OAHLLOKOSA-N 2 0 336.436 -0.326 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000654927820 420845837 /nfs/dbraw/zinc/84/58/37/420845837.db2.gz CCINJIHXNOOHOB-INIZCTEOSA-N 2 0 326.485 -0.166 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)COC1(C)C[NH2+]C1 ZINC000649318514 420798359 /nfs/dbraw/zinc/79/83/59/420798359.db2.gz RCXQVYGLMGYXKK-ZDUSSCGKSA-N 2 0 326.441 -0.576 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649320067 420801012 /nfs/dbraw/zinc/80/10/12/420801012.db2.gz MXCMOIADKYFVPO-CYBMUJFWSA-N 2 0 344.406 -0.002 20 0 EBADRP CC(C)[NH+]1CCC(NC(=O)CN(C)CCN2CC[NH2+]CC2)CC1 ZINC000649409588 420807914 /nfs/dbraw/zinc/80/79/14/420807914.db2.gz VEVXHHFJLZOEFH-UHFFFAOYSA-N 2 0 325.501 -0.188 20 0 EBADRP O=C(NCCCC[NH+]1CCOCC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654377422 420826452 /nfs/dbraw/zinc/82/64/52/420826452.db2.gz LKKOURJVENCCTA-LSDHHAIUSA-N 2 0 326.441 -0.441 20 0 EBADRP CCC(C)(C)[NH+]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000655961359 420860766 /nfs/dbraw/zinc/86/07/66/420860766.db2.gz ORTRJCIHZRUMRZ-UHFFFAOYSA-N 2 0 325.457 -0.066 20 0 EBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656021926 420865993 /nfs/dbraw/zinc/86/59/93/420865993.db2.gz ORGDGLNAVOEINH-UXXRCYHCSA-N 2 0 340.468 -0.014 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656020331 420866971 /nfs/dbraw/zinc/86/69/71/420866971.db2.gz QCRLUCOBXVXKKV-KBXIAJHMSA-N 2 0 340.468 -0.141 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CCC(C)([NH3+])CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656041320 420868448 /nfs/dbraw/zinc/86/84/48/420868448.db2.gz QCWMDFJYPISKTM-MCIONIFRSA-N 2 0 340.468 -0.060 20 0 EBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656040650 420868491 /nfs/dbraw/zinc/86/84/91/420868491.db2.gz NOQXWWHDSJLKLE-BYNSBNAKSA-N 2 0 340.468 -0.189 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCCO1 ZINC000656027164 420868902 /nfs/dbraw/zinc/86/89/02/420868902.db2.gz BOMJNGNCUSMUFW-RBSFLKMASA-N 2 0 338.452 -0.304 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656039521 420869517 /nfs/dbraw/zinc/86/95/17/420869517.db2.gz BWMUSUQSWZNLBB-QMIVOQANSA-N 2 0 340.468 -0.191 20 0 EBADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656039530 420869576 /nfs/dbraw/zinc/86/95/76/420869576.db2.gz CDSTZKRIPZDHET-XQLPTFJDSA-N 2 0 340.468 -0.332 20 0 EBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656062341 420869947 /nfs/dbraw/zinc/86/99/47/420869947.db2.gz FNZOULHGFIJSDE-SOUVJXGZSA-N 2 0 338.452 -0.794 20 0 EBADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656075271 420874400 /nfs/dbraw/zinc/87/44/00/420874400.db2.gz HGTRRTNPMFEUJS-XQLPTFJDSA-N 2 0 338.452 -0.938 20 0 EBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000656102004 420879584 /nfs/dbraw/zinc/87/95/84/420879584.db2.gz AOXRCOJHZBSHSB-CQSZACIVSA-N 2 0 339.484 -0.580 20 0 EBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656308818 420888437 /nfs/dbraw/zinc/88/84/37/420888437.db2.gz IHINGOYTCTUUHC-MELADBBJSA-N 2 0 326.441 -0.890 20 0 EBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C[N@@H+]1C1CC1 ZINC000656334706 420891492 /nfs/dbraw/zinc/89/14/92/420891492.db2.gz SALXHIYFLBWLNM-RJZRQDKASA-N 2 0 336.436 -0.995 20 0 EBADRP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658904062 420986288 /nfs/dbraw/zinc/98/62/88/420986288.db2.gz QMWADQUOSUSEQG-HNNXBMFYSA-N 2 0 338.452 -0.936 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000659023814 420987789 /nfs/dbraw/zinc/98/77/89/420987789.db2.gz PLVIOXZZPVFPIT-JTQLQIEISA-N 2 0 341.378 -0.073 20 0 EBADRP [NH3+]CC12CC(C1)CN2C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000659537804 421003619 /nfs/dbraw/zinc/00/36/19/421003619.db2.gz IOMLSWLNAIMPJM-QWKFWESOSA-N 2 0 335.374 -0.045 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659617207 421007577 /nfs/dbraw/zinc/00/75/77/421007577.db2.gz OLDVDYBJSNLYFW-UUCFBXCCSA-N 2 0 335.452 -0.314 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659681831 421014099 /nfs/dbraw/zinc/01/40/99/421014099.db2.gz BMZPQBBFVBTKRU-CYBMUJFWSA-N 2 0 325.457 -0.922 20 0 EBADRP C[C@@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)[C@H](C[NH3+])C1 ZINC000659697328 421015993 /nfs/dbraw/zinc/01/59/93/421015993.db2.gz AWKNGALRSFBVCR-CABCVRRESA-N 2 0 340.468 -0.199 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])C1 ZINC000659706187 421016007 /nfs/dbraw/zinc/01/60/07/421016007.db2.gz FXJOGTPALHDERD-RDBSUJKOSA-N 2 0 326.441 -0.591 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659700848 421016949 /nfs/dbraw/zinc/01/69/49/421016949.db2.gz WAOJMDUOGRYFJR-UHFFFAOYSA-N 2 0 338.452 -0.447 20 0 EBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659700058 421017429 /nfs/dbraw/zinc/01/74/29/421017429.db2.gz ZAFUZFPBMNXDMN-SNVBAGLBSA-N 2 0 338.412 -0.896 20 0 EBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000659709559 421018081 /nfs/dbraw/zinc/01/80/81/421018081.db2.gz FNBAEURCNXABJF-CQSZACIVSA-N 2 0 339.484 -0.613 20 0 EBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000659709555 421018634 /nfs/dbraw/zinc/01/86/34/421018634.db2.gz FNBAEURCNXABJF-AWEZNQCLSA-N 2 0 339.484 -0.613 20 0 EBADRP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659715143 421019482 /nfs/dbraw/zinc/01/94/82/421019482.db2.gz OMUNEACZHNGNOL-CABCVRRESA-N 2 0 338.452 -0.386 20 0 EBADRP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659715148 421019951 /nfs/dbraw/zinc/01/99/51/421019951.db2.gz OMUNEACZHNGNOL-LSDHHAIUSA-N 2 0 338.452 -0.386 20 0 EBADRP C[C@H]([NH3+])CNC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659713911 421020435 /nfs/dbraw/zinc/02/04/35/421020435.db2.gz LBPXQVYNUAIEHI-ZDUSSCGKSA-N 2 0 333.436 -0.127 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000659720911 421021138 /nfs/dbraw/zinc/02/11/38/421021138.db2.gz BRGJUIWQMJBDKR-KFWWJZLASA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000659750872 421030060 /nfs/dbraw/zinc/03/00/60/421030060.db2.gz ICPCYVHCZWWEMK-LBPRGKRZSA-N 2 0 335.408 -0.537 20 0 EBADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000662337210 421085312 /nfs/dbraw/zinc/08/53/12/421085312.db2.gz KAOSHUBLMRCJFU-INIZCTEOSA-N 3 0 347.511 -0.096 20 0 EBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])c1 ZINC000662402821 421086966 /nfs/dbraw/zinc/08/69/66/421086966.db2.gz OMJPZNAQICQAIS-CHWSQXEVSA-N 2 0 342.421 -0.774 20 0 EBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000662463324 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YHJOHZQJRJITTB-UONOGXRCSA-N 2 0 326.441 -0.495 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCN2C[C@@H]3CCCCN3C2=O)CC1 ZINC000663367339 421130488 /nfs/dbraw/zinc/13/04/88/421130488.db2.gz WYJZGQYVAFNTKA-HOTGVXAUSA-N 2 0 339.484 -0.526 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000662325365 421082622 /nfs/dbraw/zinc/08/26/22/421082622.db2.gz MGDDQRCTJVCWHP-RBSFLKMASA-N 2 0 330.448 -0.170 20 0 EBADRP CC[N@H+](C)CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427098850 421271659 /nfs/dbraw/zinc/27/16/59/421271659.db2.gz FAEMBTSMCSIRBP-UHFFFAOYSA-N 2 0 336.440 0.156 20 0 EBADRP C[C@]1(CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCC[NH2+]C1 ZINC000418547433 264832146 /nfs/dbraw/zinc/83/21/46/264832146.db2.gz RLIAKQVSEHYHFU-CJNGLKHVSA-N 2 0 325.457 -0.127 20 0 EBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419019856 264844981 /nfs/dbraw/zinc/84/49/81/264844981.db2.gz FARZRPPMCBTZKN-HZSPNIEDSA-N 2 0 326.441 -0.672 20 0 EBADRP 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327.473 -0.622 20 0 EBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3C[C@H](O)C[C@H]3CO)C2)CC1 ZINC000680943076 546296574 /nfs/dbraw/zinc/29/65/74/546296574.db2.gz FTWKNOSKGNYWAS-AEGPPILISA-N 2 0 326.441 -0.708 20 0 EBADRP CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000681104489 546299368 /nfs/dbraw/zinc/29/93/68/546299368.db2.gz WOTGVQIDVKQJRG-UHFFFAOYSA-N 2 0 346.391 -0.364 20 0 EBADRP CC[N@H+](CCO)CCNC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000681112888 546299919 /nfs/dbraw/zinc/29/99/19/546299919.db2.gz ZIEWBWNJYVULEV-UHFFFAOYSA-N 2 0 329.489 -0.374 20 0 EBADRP C[NH+](C)C[C@@](C)(O)CNc1cnc(NC[C@](C)(O)C[NH+](C)C)cn1 ZINC000685273267 546390963 /nfs/dbraw/zinc/39/09/63/546390963.db2.gz ZIBBEOSXMCLWQJ-HOTGVXAUSA-N 2 0 340.472 -0.074 20 0 EBADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891450832 582556646 /nfs/dbraw/zinc/55/66/46/582556646.db2.gz JPCNZMQVPJTHGZ-FQUUOJAGSA-N 2 0 339.440 -0.097 20 0 EBADRP [NH3+]C[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000891565689 582558360 /nfs/dbraw/zinc/55/83/60/582558360.db2.gz RMWLMRNGBUXNJJ-HOTGVXAUSA-N 2 0 339.484 -0.084 20 0 EBADRP C[NH2+]CCCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000891961978 582563989 /nfs/dbraw/zinc/56/39/89/582563989.db2.gz BYLHOBUGNBUGOW-HNNXBMFYSA-N 2 0 327.473 -0.308 20 0 EBADRP O=C(NC[C@@H]1CCCC[NH2+]1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891971823 582564717 /nfs/dbraw/zinc/56/47/17/582564717.db2.gz UOFMMXXVUMSSRR-DGAVXFQQSA-N 2 0 337.424 -0.295 20 0 EBADRP CC(C)[NH2+]CCCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891987545 582565132 /nfs/dbraw/zinc/56/51/32/582565132.db2.gz BTWQYXMNAVEMIA-MCIONIFRSA-N 2 0 339.440 -0.049 20 0 EBADRP C[C@H](CC[NH3+])NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892053895 582566637 /nfs/dbraw/zinc/56/66/37/582566637.db2.gz OMZNXXFYASZAKB-CABCVRRESA-N 2 0 327.473 -0.181 20 0 EBADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892143648 582568038 /nfs/dbraw/zinc/56/80/38/582568038.db2.gz FHMVXYLCNUMJBL-KKUMJFAQSA-N 2 0 327.473 -0.182 20 0 EBADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000892170198 582568527 /nfs/dbraw/zinc/56/85/27/582568527.db2.gz PZZZNUDRYASTNU-KSTCHIGDSA-N 2 0 337.424 -0.310 20 0 EBADRP CN1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[N@H+](C)CC1 ZINC000888991282 582577740 /nfs/dbraw/zinc/57/77/40/582577740.db2.gz WJPOPOYQKVTNAL-OAHLLOKOSA-N 2 0 339.484 -0.898 20 0 EBADRP CN1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@H](C[NH3+])C1 ZINC000892754515 582586727 /nfs/dbraw/zinc/58/67/27/582586727.db2.gz ARIVTBBLKVVOBW-KGLIPLIRSA-N 2 0 325.457 -0.571 20 0 EBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892765845 582587053 /nfs/dbraw/zinc/58/70/53/582587053.db2.gz HFSPETHKVYOVDS-CZUORRHYSA-N 2 0 326.441 -0.489 20 0 EBADRP O=C(CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000728913496 582680129 /nfs/dbraw/zinc/68/01/29/582680129.db2.gz KZUCNPLSDOCWKI-CHWSQXEVSA-N 2 0 349.435 -0.186 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000729033237 582683274 /nfs/dbraw/zinc/68/32/74/582683274.db2.gz PPGFAHVXNCONAE-INIZCTEOSA-N 2 0 326.485 -0.071 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cccn3nnnc23)C[C@H]1C[NH+](C)C ZINC000899157108 582746048 /nfs/dbraw/zinc/74/60/48/582746048.db2.gz DQZQLSBEBQQNTB-CHWSQXEVSA-N 2 0 331.424 -0.064 20 0 EBADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900696075 582777710 /nfs/dbraw/zinc/77/77/10/582777710.db2.gz YBJZPSLUNRQYRQ-RDJZCZTQSA-N 2 0 326.485 -0.169 20 0 EBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CC[NH2+]CCC12CCOCC2 ZINC000903550251 582811507 /nfs/dbraw/zinc/81/15/07/582811507.db2.gz XZCFUJLRYYPJEQ-ZDUSSCGKSA-N 2 0 333.454 -0.851 20 0 EBADRP O=C(CN1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)N1CCCC1 ZINC000903733162 582814631 /nfs/dbraw/zinc/81/46/31/582814631.db2.gz KPWRBTNQUCVMQH-AEFFLSMTSA-N 2 0 336.480 -0.005 20 0 EBADRP O=C([C@H]1CCC[N@H+](CCN2CCCS2(=O)=O)C1)N1CC[NH2+]CC1 ZINC000903713461 582814995 /nfs/dbraw/zinc/81/49/95/582814995.db2.gz RLHTWFWCFNLWAH-AWEZNQCLSA-N 2 0 344.481 -0.834 20 0 EBADRP OCC[N@H+](CCN1CCOCC1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903738197 582816442 /nfs/dbraw/zinc/81/64/42/582816442.db2.gz ZEPBDTKQKNMSMH-MRXNPFEDSA-N 2 0 327.469 -0.228 20 0 EBADRP CNC(=O)NC[C@@H]1CN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903769649 582817960 /nfs/dbraw/zinc/81/79/60/582817960.db2.gz LJVXELDGGPJEGB-ZIAGYGMSSA-N 2 0 326.441 -0.225 20 0 EBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903792088 582819704 /nfs/dbraw/zinc/81/97/04/582819704.db2.gz FTCDWZJWHJORNN-AWEZNQCLSA-N 2 0 341.500 -0.476 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000732245946 582846309 /nfs/dbraw/zinc/84/63/09/582846309.db2.gz KKNZTKWRPHRZLQ-ZNMIVQPWSA-N 2 0 325.457 -0.605 20 0 EBADRP C[N@@H+]1CC[C@](O)(CNC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000763074032 583256838 /nfs/dbraw/zinc/25/68/38/583256838.db2.gz SUSZAYNRXVYICU-RDJZCZTQSA-N 2 0 340.468 -0.004 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1)C(C)C ZINC000804051065 583636904 /nfs/dbraw/zinc/63/69/04/583636904.db2.gz NADDBJQCPDLUOR-CABCVRRESA-N 2 0 340.468 -0.188 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1)C1CC1 ZINC000804055043 583638737 /nfs/dbraw/zinc/63/87/37/583638737.db2.gz CVRXTPSAGQRTFI-CABCVRRESA-N 2 0 338.452 -0.434 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CCC1 ZINC000807026855 583657034 /nfs/dbraw/zinc/65/70/34/583657034.db2.gz FILZUADNJSIDKW-KGLIPLIRSA-N 2 0 338.452 -0.434 20 0 EBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000807776582 583663218 /nfs/dbraw/zinc/66/32/18/583663218.db2.gz DSIKDEKNIHCDFJ-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CCOC(CNC(=O)C[NH+]1CCCC1)CNC(=O)C[NH+]1CCCC1 ZINC000821820841 583804823 /nfs/dbraw/zinc/80/48/23/583804823.db2.gz WHHHYEBXXHKDHW-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCC(=O)NCC[NH+]2CCCCC2)CC1 ZINC000821928722 583805972 /nfs/dbraw/zinc/80/59/72/583805972.db2.gz LEWJINFMNSBLDA-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP CCO[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)C[NH+](C)C ZINC000831743431 583990979 /nfs/dbraw/zinc/99/09/79/583990979.db2.gz IQYQGGUFKRMPRL-KBPBESRZSA-N 2 0 328.457 -0.521 20 0 EBADRP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000832410067 583998008 /nfs/dbraw/zinc/99/80/08/583998008.db2.gz QDGKSCXGVHSXSX-LBPRGKRZSA-N 2 0 346.435 -0.661 20 0 EBADRP CCN(CCO)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867280446 584055708 /nfs/dbraw/zinc/05/57/08/584055708.db2.gz RVIBVBHQGGSPFY-ZIAGYGMSSA-N 2 0 328.457 -0.975 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])[NH+]1CCCCC1 ZINC000842016024 584056410 /nfs/dbraw/zinc/05/64/10/584056410.db2.gz QSSZRAWDGWWZJA-KBPBESRZSA-N 2 0 325.457 -0.922 20 0 EBADRP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCCCC1 ZINC000842164302 584058563 /nfs/dbraw/zinc/05/85/63/584058563.db2.gz IEZTXCBRLUGFBM-ZIAGYGMSSA-N 2 0 338.452 -0.256 20 0 EBADRP CCCN(C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CC[NH2+]C1 ZINC000842165369 584058890 /nfs/dbraw/zinc/05/88/90/584058890.db2.gz VHRSCBZLOFXWMT-SOUVJXGZSA-N 2 0 338.452 -0.434 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000842165138 584058982 /nfs/dbraw/zinc/05/89/82/584058982.db2.gz TWSOKIZWEQEIPM-LXTVHRRPSA-N 2 0 336.436 -0.681 20 0 EBADRP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000842177175 584059804 /nfs/dbraw/zinc/05/98/04/584059804.db2.gz AEFWNBSXKVYOSA-SQWLQELKSA-N 2 0 348.447 -0.145 20 0 EBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000844186896 584090998 /nfs/dbraw/zinc/09/09/98/584090998.db2.gz ATWKDDLBEYJTHP-HZPDHXFCSA-N 2 0 340.468 -0.722 20 0 EBADRP COCCCN(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867412709 584124521 /nfs/dbraw/zinc/12/45/21/584124521.db2.gz ZFEZRGWJRCDKGE-HUUCEWRRSA-N 2 0 342.484 -0.321 20 0 EBADRP CC[N@H+](CCO)CCNC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849577276 584171902 /nfs/dbraw/zinc/17/19/02/584171902.db2.gz HBGQDXURVAQBIU-HZPDHXFCSA-N 2 0 337.468 -0.114 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000851669614 584197307 /nfs/dbraw/zinc/19/73/07/584197307.db2.gz ZDFLCAKRLGSAGJ-LLVKDONJSA-N 2 0 335.399 -0.355 20 0 EBADRP CCOC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(O)(C[NH3+])CC2)CC1 ZINC000852752233 584215136 /nfs/dbraw/zinc/21/51/36/584215136.db2.gz QYQBBICYABPYGK-ZDUSSCGKSA-N 2 0 342.440 -0.539 20 0 EBADRP [NH3+]CCOc1cccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1 ZINC000861546057 584330983 /nfs/dbraw/zinc/33/09/83/584330983.db2.gz LNMJLRLVJDCNHS-ZDUSSCGKSA-N 2 0 336.392 -0.855 20 0 EBADRP C[C@@H](C[NH3+])CNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861640569 584332285 /nfs/dbraw/zinc/33/22/85/584332285.db2.gz DZORJNQGEKJMNR-UHTWSYAYSA-N 2 0 325.413 -0.452 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000861742212 584336723 /nfs/dbraw/zinc/33/67/23/584336723.db2.gz CTPDRDWSNWCGCM-ZDUSSCGKSA-N 2 0 348.451 -0.745 20 0 EBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000863749756 584376166 /nfs/dbraw/zinc/37/61/66/584376166.db2.gz AQCYIRIUPJTMEN-CYBMUJFWSA-N 2 0 327.473 -0.724 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000863763408 584377431 /nfs/dbraw/zinc/37/74/31/584377431.db2.gz BZPLOBLELMGGNX-UONOGXRCSA-N 2 0 328.457 -0.249 20 0 EBADRP CN(C)c1ccc(-n2cc(CNC(=O)CN3CC[NH2+]CC3)nn2)cc1 ZINC000864628813 584387566 /nfs/dbraw/zinc/38/75/66/584387566.db2.gz PLSDWTYTNVLBFJ-UHFFFAOYSA-N 2 0 343.435 -0.145 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867442565 584408185 /nfs/dbraw/zinc/40/81/85/584408185.db2.gz IUXYLSPJRINMSZ-CABCVRRESA-N 2 0 340.468 -0.424 20 0 EBADRP COC(=O)[C@H](C)CS(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867588920 584411852 /nfs/dbraw/zinc/41/18/52/584411852.db2.gz JLBCERFZQDYPHX-MGPQQGTHSA-N 2 0 349.497 -0.204 20 0 EBADRP C[NH+](C)CCCS(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867590367 584412058 /nfs/dbraw/zinc/41/20/58/584412058.db2.gz QLEQCQXHEMYSSM-HUUCEWRRSA-N 3 0 334.530 -0.061 20 0 EBADRP CNC(=O)CN1CCC(NC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000868046623 584421497 /nfs/dbraw/zinc/42/14/97/584421497.db2.gz ZVMHPISMGDZYTQ-ZFWWWQNUSA-N 2 0 337.468 -0.068 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC[NH2+]1 ZINC000868387357 584427044 /nfs/dbraw/zinc/42/70/44/584427044.db2.gz BLKAFAYHPDNORZ-RBSFLKMASA-N 3 0 339.484 -0.996 20 0 EBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000868402563 584428481 /nfs/dbraw/zinc/42/84/81/584428481.db2.gz MGKHBWWAPHSCIA-KBUPBQIOSA-N 3 0 339.484 -0.868 20 0 EBADRP C[N@@H+]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CCC1(C)C ZINC000868403922 584428547 /nfs/dbraw/zinc/42/85/47/584428547.db2.gz AZUOGTLBIBVHEL-ZDUSSCGKSA-N 2 0 326.441 -0.495 20 0 EBADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)CC1=O ZINC000869780460 584441619 /nfs/dbraw/zinc/44/16/19/584441619.db2.gz KNMDJSRRLPCFKE-KBPBESRZSA-N 2 0 340.468 -0.642 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@H]2CN(C(=O)C3([NH+](C)C)CC3)CCO2)CC1 ZINC000871465091 584454370 /nfs/dbraw/zinc/45/43/70/584454370.db2.gz UFGCLLFWUCBDBS-ZDUSSCGKSA-N 2 0 338.452 -0.482 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872185484 584458736 /nfs/dbraw/zinc/45/87/36/584458736.db2.gz ASEHUEPRHZFEMW-MNOVXSKESA-N 2 0 338.374 -0.008 20 0 EBADRP C[N@@H+]1CC[C@H]2CN(CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)CC[C@@H]21 ZINC000872725098 584466569 /nfs/dbraw/zinc/46/65/69/584466569.db2.gz BPIBZEBTJJIPHZ-KBPBESRZSA-N 2 0 335.452 -0.014 20 0 EBADRP COC[C@]1(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH2+]CCO1 ZINC000876716796 584521575 /nfs/dbraw/zinc/52/15/75/584521575.db2.gz NIPFNTNPOCGCMN-LZWOXQAQSA-N 2 0 329.441 -0.393 20 0 EBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000876771448 584523329 /nfs/dbraw/zinc/52/33/29/584523329.db2.gz SHFBBSCRRDHVGS-HAAFXLEYSA-N 2 0 348.451 -0.089 20 0 EBADRP COC[C@]1(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C[NH2+]CCO1 ZINC000876783853 584524089 /nfs/dbraw/zinc/52/40/89/584524089.db2.gz PAHVFCCCHXCQIU-RDJZCZTQSA-N 2 0 340.468 -0.770 20 0 EBADRP COC[C@]1(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)C[NH2+]CCO1 ZINC000876955252 584527496 /nfs/dbraw/zinc/52/74/96/584527496.db2.gz VYLGYRZDRHSYOD-RDJZCZTQSA-N 2 0 341.452 -0.295 20 0 EBADRP COC[C@@]1(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)C[NH2+]CCO1 ZINC000876955250 584527503 /nfs/dbraw/zinc/52/75/03/584527503.db2.gz VYLGYRZDRHSYOD-NVXWUHKLSA-N 2 0 341.452 -0.295 20 0 EBADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000876995908 584528157 /nfs/dbraw/zinc/52/81/57/584528157.db2.gz JVNFLKISWSSAQF-JZIMQPMSSA-N 2 0 335.452 -0.288 20 0 EBADRP COC[C@]1(C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)C[NH2+]CCO1 ZINC000877115676 584529309 /nfs/dbraw/zinc/52/93/09/584529309.db2.gz KWPPOSLRPGFBPK-WBVHZDCISA-N 2 0 341.452 -0.392 20 0 EBADRP CN1CC[N@H+](CCCCCC[NH+]2CCN(C)C[C@H]2CO)[C@@H](CO)C1 ZINC000879001727 584546710 /nfs/dbraw/zinc/54/67/10/584546710.db2.gz GJINUZTVONOGFW-HDICACEKSA-N 2 0 342.528 -0.237 20 0 EBADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000883433541 584601451 /nfs/dbraw/zinc/60/14/51/584601451.db2.gz SRBDVNOBRCLXQQ-ZIAGYGMSSA-N 2 0 325.457 -0.033 20 0 EBADRP O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)C(=O)NC1C[NH2+]C1 ZINC000883606399 584603524 /nfs/dbraw/zinc/60/35/24/584603524.db2.gz RGBJALXFCBQQJI-INIZCTEOSA-N 2 0 343.431 -0.003 20 0 EBADRP CN(CCN1CC[NH2+]CC1)C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884027133 584610714 /nfs/dbraw/zinc/61/07/14/584610714.db2.gz UOIHDHQPJFCHKH-UHFFFAOYSA-N 2 0 332.452 -0.532 20 0 EBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884286641 584620993 /nfs/dbraw/zinc/62/09/93/584620993.db2.gz IMTZTANKKUCROJ-AWEZNQCLSA-N 2 0 347.419 -0.532 20 0 EBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1(C)C ZINC000884507737 584625079 /nfs/dbraw/zinc/62/50/79/584625079.db2.gz LGLHSAVSMVETSK-OKILXGFUSA-N 2 0 337.468 -0.909 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000884587463 584628965 /nfs/dbraw/zinc/62/89/65/584628965.db2.gz JJVIQIAULSTBMT-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000884603632 584629299 /nfs/dbraw/zinc/62/92/99/584629299.db2.gz NOTNBGSLHGXUTB-STQMWFEESA-N 2 0 326.441 -0.448 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000884604100 584629658 /nfs/dbraw/zinc/62/96/58/584629658.db2.gz ZSJXUMQYMJLOIL-OAHLLOKOSA-N 2 0 340.468 -0.057 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000884642850 584631236 /nfs/dbraw/zinc/63/12/36/584631236.db2.gz RQOOJURCJQZNJO-KBPBESRZSA-N 2 0 340.468 -0.282 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)C1 ZINC000884642736 584631445 /nfs/dbraw/zinc/63/14/45/584631445.db2.gz PZQAHGRNOGDLKQ-UONOGXRCSA-N 2 0 326.441 -0.447 20 0 EBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000884650325 584631773 /nfs/dbraw/zinc/63/17/73/584631773.db2.gz FWXHVKVWYHUWFL-UHFFFAOYSA-N 2 0 339.465 -0.056 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000884669830 584632650 /nfs/dbraw/zinc/63/26/50/584632650.db2.gz HZKITZVNULXTBD-CQSZACIVSA-N 2 0 341.500 -0.380 20 0 EBADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000884690160 584634307 /nfs/dbraw/zinc/63/43/07/584634307.db2.gz OHVVKPACNKYLIW-CYBMUJFWSA-N 2 0 331.420 -0.013 20 0 EBADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000884688220 584634312 /nfs/dbraw/zinc/63/43/12/584634312.db2.gz WDZOYWKGIUGGMI-UONOGXRCSA-N 2 0 331.420 -0.013 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884706326 584635057 /nfs/dbraw/zinc/63/50/57/584635057.db2.gz ZJQOIEVKUMYFEW-DGAVXFQQSA-N 2 0 338.452 -0.232 20 0 EBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000884723877 584636014 /nfs/dbraw/zinc/63/60/14/584636014.db2.gz BVCFMAKWZWLIMS-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000884791234 584637701 /nfs/dbraw/zinc/63/77/01/584637701.db2.gz RZLKRQNFGJOQFD-WRSVWVKZSA-N 2 0 343.431 -0.013 20 0 EBADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884787570 584637733 /nfs/dbraw/zinc/63/77/33/584637733.db2.gz VXJZGQHVEUFFKR-QLFBSQMISA-N 2 0 336.436 -0.681 20 0 EBADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000884791226 584637783 /nfs/dbraw/zinc/63/77/83/584637783.db2.gz RZLKRQNFGJOQFD-VNSJNIRKSA-N 2 0 343.431 -0.013 20 0 EBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000884807523 584638074 /nfs/dbraw/zinc/63/80/74/584638074.db2.gz BQLOZXJUNAYWAC-UHFFFAOYSA-N 2 0 340.468 -0.057 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000884811902 584638263 /nfs/dbraw/zinc/63/82/63/584638263.db2.gz IFQRDXFFKWABDR-CQSZACIVSA-N 2 0 349.435 -0.529 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000884823823 584639214 /nfs/dbraw/zinc/63/92/14/584639214.db2.gz GPIJZWQSYLXHSN-VNHYZAJKSA-N 2 0 331.420 -0.015 20 0 EBADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000884975402 584642061 /nfs/dbraw/zinc/64/20/61/584642061.db2.gz CMDMYACZAUCWML-OAHLLOKOSA-N 2 0 340.468 -0.201 20 0 EBADRP CCN(C(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)[C@H]1CC[NH2+]C1 ZINC000887068507 584674933 /nfs/dbraw/zinc/67/49/33/584674933.db2.gz MSANVOSLDVVYQH-HNNXBMFYSA-N 2 0 339.484 -0.707 20 0 EBADRP CCN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)[C@H]1CC[NH2+]C1 ZINC000887068722 584675234 /nfs/dbraw/zinc/67/52/34/584675234.db2.gz QSORCNJERJYJBY-HNNXBMFYSA-N 2 0 341.500 -0.461 20 0 EBADRP CCN(C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@@H]1CC[NH2+]C1 ZINC000887070566 584675509 /nfs/dbraw/zinc/67/55/09/584675509.db2.gz OOBTUSODLJNBHV-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN(CCOC)CC1 ZINC000410907512 584702556 /nfs/dbraw/zinc/70/25/56/584702556.db2.gz CXHBAVWTNKNHHF-UHFFFAOYSA-N 2 0 342.484 -0.033 20 0 EBADRP COCCOC[C@H](O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000326820239 649996278 /nfs/dbraw/zinc/99/62/78/649996278.db2.gz IPIXIEYPGFYDNV-BZUAXINKSA-N 2 0 343.468 -0.410 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C[C@H]1C[NH3+] ZINC000904988995 650055767 /nfs/dbraw/zinc/05/57/67/650055767.db2.gz XEPXHTJZKYIPGO-APIJFGDWSA-N 2 0 338.452 -0.903 20 0 EBADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000904991015 650056452 /nfs/dbraw/zinc/05/64/52/650056452.db2.gz SDOCISZMKVLXTB-UONOGXRCSA-N 2 0 326.441 -0.888 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000904996727 650057292 /nfs/dbraw/zinc/05/72/92/650057292.db2.gz YBRFSCHKDVSRRO-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000905017804 650060227 /nfs/dbraw/zinc/06/02/27/650060227.db2.gz WSCBIOAYVOGYFX-PBHICJAKSA-N 2 0 338.452 -0.623 20 0 EBADRP CC(C)[C@H](C[NH2+]C[C@@H](O)C1(O)CCOCC1)N1CC[NH+](C)CC1 ZINC000905112014 650061784 /nfs/dbraw/zinc/06/17/84/650061784.db2.gz WLQHECAUPPSYMK-JKSUJKDBSA-N 2 0 329.485 -0.250 20 0 EBADRP CC(C)[C@H](C[NH2+]C[C@H](O)C1(O)CCOCC1)N1CC[NH+](C)CC1 ZINC000905112008 650061911 /nfs/dbraw/zinc/06/19/11/650061911.db2.gz WLQHECAUPPSYMK-HOTGVXAUSA-N 2 0 329.485 -0.250 20 0 EBADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@H](O)C3(O)CCOCC3)C2)CC1 ZINC000905111240 650061928 /nfs/dbraw/zinc/06/19/28/650061928.db2.gz VBZOGUHUJAXMDJ-HOCLYGCPSA-N 2 0 327.469 -0.353 20 0 EBADRP COC[C@@]1(C[NH+](C)C)COCCN1C(=O)COC1CC[NH+](C)CC1 ZINC000906124105 650066621 /nfs/dbraw/zinc/06/66/21/650066621.db2.gz RBOHXGQMVPBCHB-KRWDZBQOSA-N 2 0 343.468 -0.097 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000905475162 650063670 /nfs/dbraw/zinc/06/36/70/650063670.db2.gz SBONHLIHMDZNBZ-IRXDYDNUSA-N 2 0 325.428 -0.073 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H](O)Cc2ccccc2F)CC1 ZINC000905475179 650063811 /nfs/dbraw/zinc/06/38/11/650063811.db2.gz SJJLVCJRLYNADN-HZPDHXFCSA-N 2 0 325.428 -0.073 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)CC1 ZINC000905606339 650064266 /nfs/dbraw/zinc/06/42/66/650064266.db2.gz FEXZZSBIUBQEBN-KGLIPLIRSA-N 2 0 344.456 -0.265 20 0 EBADRP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000908439335 650101909 /nfs/dbraw/zinc/10/19/09/650101909.db2.gz VHAJHEFKKKSOLV-SCTDSRPQSA-N 2 0 347.459 -0.023 20 0 EBADRP CN1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1(C)C ZINC000910613770 650116468 /nfs/dbraw/zinc/11/64/68/650116468.db2.gz PYAWGFKXDOKCMM-UHFFFAOYSA-N 2 0 341.500 -0.509 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000910923008 650140362 /nfs/dbraw/zinc/14/03/62/650140362.db2.gz IMYOXNANZUNTMX-KGLIPLIRSA-N 2 0 326.441 -0.936 20 0 EBADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CCCC1 ZINC000910949428 650141590 /nfs/dbraw/zinc/14/15/90/650141590.db2.gz JNKCMJIVIRCTCT-QGZVFWFLSA-N 2 0 340.468 -0.463 20 0 EBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000910954586 650142015 /nfs/dbraw/zinc/14/20/15/650142015.db2.gz BICFEOWQYSIRAD-INIZCTEOSA-N 2 0 326.441 -0.712 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)N1CCNCC[NH2+]CC1)Cc1ccccc1 ZINC000911002008 650144672 /nfs/dbraw/zinc/14/46/72/650144672.db2.gz JJXQHDOHXRLNAP-UHFFFAOYSA-N 2 0 347.463 -0.744 20 0 EBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000911027950 650146471 /nfs/dbraw/zinc/14/64/71/650146471.db2.gz GBWLKBCYLYLHSW-KEYYUXOJSA-N 2 0 340.468 -0.465 20 0 EBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH2+]C[C@H]1COC ZINC000911054970 650148000 /nfs/dbraw/zinc/14/80/00/650148000.db2.gz NESMRTVTMHKWMN-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000911076533 650149310 /nfs/dbraw/zinc/14/93/10/650149310.db2.gz ADGYVLTVVRVIQX-SOUVJXGZSA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH2+]CCN(C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000911097656 650151198 /nfs/dbraw/zinc/15/11/98/650151198.db2.gz TVHAFWSWJQBQKT-UHFFFAOYSA-N 2 0 341.500 -0.415 20 0 EBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1(C)C ZINC000911096303 650151330 /nfs/dbraw/zinc/15/13/30/650151330.db2.gz JQVOCVJQSHUVLT-CQSZACIVSA-N 2 0 339.484 -0.674 20 0 EBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)C[N@@H+]1C1CC1 ZINC000911147289 650154301 /nfs/dbraw/zinc/15/43/01/650154301.db2.gz OZHFWLHMQNDDJT-QWHCGFSZSA-N 2 0 338.452 -0.306 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911155750 650154968 /nfs/dbraw/zinc/15/49/68/650154968.db2.gz KUUIXCNGOKYIJV-CZUORRHYSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@H](NC(=O)C(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+])[C@@H]1CN(C)CCO1 ZINC000911161600 650155696 /nfs/dbraw/zinc/15/56/96/650155696.db2.gz JIYMNSSBZSAILV-QDEZUTFSSA-N 2 0 338.452 -0.448 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000911162428 650156405 /nfs/dbraw/zinc/15/64/05/650156405.db2.gz RISJUBAOAMQMDN-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000911186261 650157581 /nfs/dbraw/zinc/15/75/81/650157581.db2.gz MNSPGIPBELBGKK-AWEZNQCLSA-N 2 0 339.484 -0.674 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1)C1CC1 ZINC000911188212 650157653 /nfs/dbraw/zinc/15/76/53/650157653.db2.gz RPDILGIZQGVSIB-UHFFFAOYSA-N 2 0 326.441 -0.447 20 0 EBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000911188265 650158041 /nfs/dbraw/zinc/15/80/41/650158041.db2.gz SUFZIOBQRNORID-ZDUSSCGKSA-N 2 0 328.457 -0.201 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)C1 ZINC000911237451 650161765 /nfs/dbraw/zinc/16/17/65/650161765.db2.gz YAWQRSFEFKJFMF-MCIONIFRSA-N 2 0 326.441 -0.733 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000911189203 650158573 /nfs/dbraw/zinc/15/85/73/650158573.db2.gz YJZMTRRFRGGSHC-QWHCGFSZSA-N 2 0 326.441 -0.591 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000911196397 650159004 /nfs/dbraw/zinc/15/90/04/650159004.db2.gz XDZQYHQHAOGQJQ-KGLIPLIRSA-N 2 0 326.441 -0.589 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000911208138 650159637 /nfs/dbraw/zinc/15/96/37/650159637.db2.gz JWUJMVPNQYDZOK-AWEZNQCLSA-N 2 0 340.468 -0.057 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000911214591 650160355 /nfs/dbraw/zinc/16/03/55/650160355.db2.gz IHPHQTHFOAQKAG-HIFRSBDPSA-N 2 0 338.452 -0.576 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000911231601 650161395 /nfs/dbraw/zinc/16/13/95/650161395.db2.gz OSSZTPFFTWVFPM-ZIAGYGMSSA-N 2 0 328.457 -0.486 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911231563 650161527 /nfs/dbraw/zinc/16/15/27/650161527.db2.gz OFTOYGHSHPVURQ-RHSMWYFYSA-N 2 0 340.468 -0.281 20 0 EBADRP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000911239014 650162515 /nfs/dbraw/zinc/16/25/15/650162515.db2.gz XVSUZPJLPIZHDT-YOEHRIQHSA-N 2 0 338.452 -0.568 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NCCCN1CCOCC1 ZINC000911247795 650162868 /nfs/dbraw/zinc/16/28/68/650162868.db2.gz SBMMSNMMDZQBQV-ZIAGYGMSSA-N 2 0 326.441 -0.813 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911257642 650163521 /nfs/dbraw/zinc/16/35/21/650163521.db2.gz JJJFMGYWZZPQAD-NXEZZACHSA-N 2 0 340.346 -0.971 20 0 EBADRP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000911258950 650164065 /nfs/dbraw/zinc/16/40/65/650164065.db2.gz UVYDDTKLVAWFKS-KRWDZBQOSA-N 2 0 338.452 -0.711 20 0 EBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000911272951 650165290 /nfs/dbraw/zinc/16/52/90/650165290.db2.gz GSJOOFOEGQQKKY-UHFFFAOYSA-N 2 0 327.473 -0.946 20 0 EBADRP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000911283483 650166119 /nfs/dbraw/zinc/16/61/19/650166119.db2.gz GTXDHJKRAGXUSW-RRFJBIMHSA-N 2 0 338.452 -0.840 20 0 EBADRP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911283485 650166289 /nfs/dbraw/zinc/16/62/89/650166289.db2.gz GTXDHJKRAGXUSW-ZNMIVQPWSA-N 2 0 338.452 -0.840 20 0 EBADRP CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911282885 650166499 /nfs/dbraw/zinc/16/64/99/650166499.db2.gz DKCNAODVNBSCHQ-GJZGRUSLSA-N 2 0 340.468 -0.452 20 0 EBADRP O=C(N[C@@H]1CCCN2CCSC[C@@H]12)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911286950 650166853 /nfs/dbraw/zinc/16/68/53/650166853.db2.gz AYWMQANNSMSPKI-XQQFMLRXSA-N 2 0 326.466 -0.449 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911293088 650167289 /nfs/dbraw/zinc/16/72/89/650167289.db2.gz RRVAMTFFPWBLCK-MCIONIFRSA-N 2 0 326.441 -0.857 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])C1 ZINC000911242681 650162308 /nfs/dbraw/zinc/16/23/08/650162308.db2.gz RQBBWLAYGAVDLG-KEYYUXOJSA-N 2 0 338.452 -0.447 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C[NH+](C)C ZINC000911313541 650170638 /nfs/dbraw/zinc/17/06/38/650170638.db2.gz FXFMPSZVGFKHIV-BYNSBNAKSA-N 2 0 340.468 -0.426 20 0 EBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911313765 650170706 /nfs/dbraw/zinc/17/07/06/650170706.db2.gz USYJHMDFOLWNQS-UHFFFAOYSA-N 2 0 327.473 -0.898 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000911325942 650171688 /nfs/dbraw/zinc/17/16/88/650171688.db2.gz YFJWAVKLIRDYRC-MELADBBJSA-N 2 0 326.441 -0.720 20 0 EBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000911336109 650172128 /nfs/dbraw/zinc/17/21/28/650172128.db2.gz FJPVCFWUGRJDOX-HBNTYKKESA-N 2 0 336.358 -0.065 20 0 EBADRP CC(C)([NH3+])CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911367434 650175762 /nfs/dbraw/zinc/17/57/62/650175762.db2.gz ZFGVRNUGOBMBJX-OLZOCXBDSA-N 2 0 326.441 -0.712 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)C[NH+](C)C ZINC000911392735 650178242 /nfs/dbraw/zinc/17/82/42/650178242.db2.gz SFKFYIYVKKTUPA-MGPQQGTHSA-N 2 0 328.457 -0.569 20 0 EBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911411889 650179650 /nfs/dbraw/zinc/17/96/50/650179650.db2.gz UYMFGUTVPGMYQI-UHFFFAOYSA-N 2 0 339.484 -0.530 20 0 EBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC000911411213 650179709 /nfs/dbraw/zinc/17/97/09/650179709.db2.gz GRHACATXHVCYKE-UHFFFAOYSA-N 2 0 339.484 -0.532 20 0 EBADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911411892 650179778 /nfs/dbraw/zinc/17/97/78/650179778.db2.gz VAZRMUONFVDWJN-AWEZNQCLSA-N 2 0 339.484 -0.626 20 0 EBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911410998 650179789 /nfs/dbraw/zinc/17/97/89/650179789.db2.gz JAIHVHPOWBVXRS-CQSZACIVSA-N 2 0 339.484 -0.485 20 0 EBADRP CC1([NH+]2CCCC2)CCC(NC(=O)C(=O)N(CC[NH3+])CCO)CC1 ZINC000911415124 650180593 /nfs/dbraw/zinc/18/05/93/650180593.db2.gz TYJMQQROLRDPTI-UHFFFAOYSA-N 2 0 340.468 -0.321 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1)C[NH+](C)C ZINC000911432990 650183221 /nfs/dbraw/zinc/18/32/21/650183221.db2.gz AHIDDNLACFXVTI-ZIAGYGMSSA-N 2 0 328.457 -0.282 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N(C)C1CCC([NH3+])CC1)C[NH+](C)C ZINC000911435395 650183461 /nfs/dbraw/zinc/18/34/61/650183461.db2.gz MHKMIUYDKLGIGP-RUXDESIVSA-N 2 0 328.457 -0.202 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+])C[NH+](C)C ZINC000911433943 650183473 /nfs/dbraw/zinc/18/34/73/650183473.db2.gz FSDWUBMXTWOUPC-CKEIUWERSA-N 2 0 340.468 -0.201 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)C[NH+](C)C ZINC000911436557 650183947 /nfs/dbraw/zinc/18/39/47/650183947.db2.gz VJASVOCZDRFULH-WMLDXEAASA-N 2 0 340.468 -0.329 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1)C[NH+](C)C ZINC000911436535 650183969 /nfs/dbraw/zinc/18/39/69/650183969.db2.gz VBEMNHQTJMVCER-GXTWGEPZSA-N 2 0 328.457 -0.345 20 0 EBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000911531295 650191061 /nfs/dbraw/zinc/19/10/61/650191061.db2.gz GOYGIVGOQWZHTG-MRXNPFEDSA-N 2 0 326.441 -0.853 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CCO1 ZINC000911563069 650194032 /nfs/dbraw/zinc/19/40/32/650194032.db2.gz IRQYCNFGDSCIJY-MGPQQGTHSA-N 2 0 326.441 -0.591 20 0 EBADRP COc1cccc2c1CC[C@]2([NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000911702199 650195945 /nfs/dbraw/zinc/19/59/45/650195945.db2.gz KHWRWRNMBSZGQM-QGZVFWFLSA-N 2 0 332.404 -0.657 20 0 EBADRP CCOC(=O)[C@H]1CCCN(CC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000913351415 650232304 /nfs/dbraw/zinc/23/23/04/650232304.db2.gz GIRIIYABXNCSAU-KBPBESRZSA-N 2 0 327.425 -0.556 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@H](CO)NC(=O)[C@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC000913915595 650248397 /nfs/dbraw/zinc/24/83/97/650248397.db2.gz INQPNFMSEMRWQA-ILXRZTDVSA-N 2 0 344.500 -0.248 20 0 EBADRP C[NH+](C)CC1(C(=O)NC[C@H](CO)NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000913919710 650248924 /nfs/dbraw/zinc/24/89/24/650248924.db2.gz XBBIJFLRMFKZPC-CYBMUJFWSA-N 2 0 340.468 -0.737 20 0 EBADRP CN1CCO[C@H](CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000916895573 650276991 /nfs/dbraw/zinc/27/69/91/650276991.db2.gz NWKXFMUGAKBUNE-LSDHHAIUSA-N 2 0 326.441 -0.131 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000917959727 650286333 /nfs/dbraw/zinc/28/63/33/650286333.db2.gz LUVKRTAVRBXPGJ-CVEARBPZSA-N 2 0 339.484 -0.215 20 0 EBADRP C[NH+](C)C1(CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000919517957 650302652 /nfs/dbraw/zinc/30/26/52/650302652.db2.gz VXENNBFMVHTDJD-ZDUSSCGKSA-N 2 0 325.457 -0.033 20 0 EBADRP CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@@H](CC[NH3+])C1)S(C)(=O)=O ZINC000923492450 650342273 /nfs/dbraw/zinc/34/22/73/650342273.db2.gz OPYYBRJPQISAKS-CQSZACIVSA-N 2 0 348.513 -0.167 20 0 EBADRP C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000923613419 650347226 /nfs/dbraw/zinc/34/72/26/650347226.db2.gz JWXDTORCHKHCMC-HUUCEWRRSA-N 2 0 330.498 -0.220 20 0 EBADRP C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000923613417 650347514 /nfs/dbraw/zinc/34/75/14/650347514.db2.gz JWXDTORCHKHCMC-CABCVRRESA-N 2 0 330.498 -0.220 20 0 EBADRP [NH3+]C1(CNS(=O)(=O)C2C[NH2+]C2)CCN(Cc2ccccc2)CC1 ZINC000923648073 650350481 /nfs/dbraw/zinc/35/04/81/650350481.db2.gz GIPPIHZUROPDDN-UHFFFAOYSA-N 2 0 338.477 -0.129 20 0 EBADRP CC(C)[NH+]1CCN(CCCC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2C)CC1 ZINC000924980715 650369893 /nfs/dbraw/zinc/36/98/93/650369893.db2.gz UMMPNEVIRHHQNS-CVEARBPZSA-N 2 0 326.485 -0.026 20 0 EBADRP C[N@@H+]1C[C@H](O)C[C@H]1CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000924983381 650370292 /nfs/dbraw/zinc/37/02/92/650370292.db2.gz FDFIIJIIQQEEMX-JKSUJKDBSA-N 2 0 347.463 -0.225 20 0 EBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926305815 650385238 /nfs/dbraw/zinc/38/52/38/650385238.db2.gz DLTSGEJRBRJEHF-XJKSGUPXSA-N 2 0 326.441 -0.901 20 0 EBADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000926313010 650385403 /nfs/dbraw/zinc/38/54/03/650385403.db2.gz DLZPEIZWCOMEJV-UHFFFAOYSA-N 2 0 339.484 -0.802 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC[C@H]1C[NH3+] ZINC000926336538 650387033 /nfs/dbraw/zinc/38/70/33/650387033.db2.gz XYFMGXMLRMOOCE-RDBSUJKOSA-N 2 0 326.441 -0.781 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C[C@H]1[NH3+] ZINC000926335531 650387140 /nfs/dbraw/zinc/38/71/40/650387140.db2.gz SFRFOTLAEHDMBT-TZMCWYRMSA-N 2 0 326.441 -0.639 20 0 EBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCNCC[NH2+]CC2)[C@@H](C)C1 ZINC000926347936 650388008 /nfs/dbraw/zinc/38/80/08/650388008.db2.gz PABOELSQPNPCDL-LSDHHAIUSA-N 2 0 339.484 -0.804 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCNCC[NH2+]CC2)C[C@H]1C ZINC000926345027 650388195 /nfs/dbraw/zinc/38/81/95/650388195.db2.gz NAWDPRXXOVDJGY-CABCVRRESA-N 2 0 339.484 -0.661 20 0 EBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926354195 650389086 /nfs/dbraw/zinc/38/90/86/650389086.db2.gz NTSUMBOEQGDZTI-QGZVFWFLSA-N 2 0 340.468 -0.367 20 0 EBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@]([NH3+])(CO)C3)CC[C@H]21 ZINC000926367294 650389439 /nfs/dbraw/zinc/38/94/39/650389439.db2.gz KQGNKPXEYQVURJ-CPUCHLNUSA-N 2 0 338.452 -0.759 20 0 EBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000926375840 650389938 /nfs/dbraw/zinc/38/99/38/650389938.db2.gz WYIFQULDMMOMPH-CZUORRHYSA-N 2 0 326.441 -0.712 20 0 EBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000926387224 650390421 /nfs/dbraw/zinc/39/04/21/650390421.db2.gz NKCWDSQRZBHVHA-QGZVFWFLSA-N 2 0 340.468 -0.369 20 0 EBADRP CC[N@H+](CCO)CCNC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000927642806 651505819 /nfs/dbraw/zinc/50/58/19/651505819.db2.gz YGLUBMUXHMGGTO-HNNXBMFYSA-N 2 0 328.457 -0.147 20 0 EBADRP C[N@@H+]1CC[C@](O)(CNC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000927639763 651506362 /nfs/dbraw/zinc/50/63/62/651506362.db2.gz FNYMFIPCPHXRQG-ZBFHGGJFSA-N 2 0 326.441 -0.395 20 0 EBADRP Cn1nnc2c1C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC2 ZINC000927855391 651508146 /nfs/dbraw/zinc/50/81/46/651508146.db2.gz VLHFIEBSFBQLOY-CYBMUJFWSA-N 2 0 337.472 -0.193 20 0 EBADRP C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000929169826 651536013 /nfs/dbraw/zinc/53/60/13/651536013.db2.gz PXPIVIZFQMWHIB-GJZGRUSLSA-N 2 0 338.452 -0.746 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)C[NH+](C)C ZINC000929748124 651563264 /nfs/dbraw/zinc/56/32/64/651563264.db2.gz NPGZXBGIMNIKQM-TZMCWYRMSA-N 2 0 326.441 -0.578 20 0 EBADRP CN(CC[N@H+](C)CC1CN(S(C)(=O)=O)C1)C1CC[NH+](C)CC1 ZINC000930115418 651584017 /nfs/dbraw/zinc/58/40/17/651584017.db2.gz TTYAPHODNOYIOE-UHFFFAOYSA-N 2 0 332.514 -0.164 20 0 EBADRP C[C@H](CNC(=O)CN1C[C@@H](O)C(C)(C)C1)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000930269695 651591205 /nfs/dbraw/zinc/59/12/05/651591205.db2.gz ITQNVGGXEPAXEL-MCIONIFRSA-N 2 0 327.469 -0.104 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1)C[NH+](C)C ZINC000930828695 651613031 /nfs/dbraw/zinc/61/30/31/651613031.db2.gz SDECHKDPYCAXEP-CABCVRRESA-N 2 0 342.484 -0.083 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C[NH+](C)C ZINC000930947792 651617212 /nfs/dbraw/zinc/61/72/12/651617212.db2.gz DRRIMJDUUHVMLY-HZSPNIEDSA-N 2 0 328.457 -0.474 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CC)C[NH+](C)C ZINC000932467523 651681612 /nfs/dbraw/zinc/68/16/12/651681612.db2.gz JNUCZEWOTBXYDV-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)C[NH+](C)C ZINC000932470992 651682725 /nfs/dbraw/zinc/68/27/25/651682725.db2.gz CYGBUEWZJAVTFD-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC[N@H+](CC)CC1)C[NH+](C)C ZINC000932469040 651682739 /nfs/dbraw/zinc/68/27/39/651682739.db2.gz OKKDUOLYIIQLHE-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP C[C@@H](O)C[NH+]1CC(N2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000941410630 652721852 /nfs/dbraw/zinc/72/18/52/652721852.db2.gz JWWYMBJEKQVOGJ-PBHICJAKSA-N 2 0 336.480 -0.463 20 0 EBADRP C[C@H](O)C[NH+]1CC(N2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000941410633 652722311 /nfs/dbraw/zinc/72/23/11/652722311.db2.gz JWWYMBJEKQVOGJ-YOEHRIQHSA-N 2 0 336.480 -0.463 20 0 EBADRP C[C@@H](O)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCn4cncc4C3)CC2)C1 ZINC000941462807 652752021 /nfs/dbraw/zinc/75/20/21/652752021.db2.gz GKTKRWDXRYXLSD-CABCVRRESA-N 2 0 347.463 -0.345 20 0 EBADRP C[C@H](O)C[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC000941567055 652807630 /nfs/dbraw/zinc/80/76/30/652807630.db2.gz PJULJIPKHDVHMR-HNNXBMFYSA-N 2 0 338.496 -0.073 20 0 EBADRP C[C@H](O)C[NH+]1CC(N2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC000941595212 652822462 /nfs/dbraw/zinc/82/24/62/652822462.db2.gz GJKJGVCXUIZJQW-HNNXBMFYSA-N 2 0 338.496 -0.073 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCN(C2C[NH+](C[C@H]3CCOC3)C2)CC1 ZINC000941668968 652870690 /nfs/dbraw/zinc/87/06/90/652870690.db2.gz UIDLWQWCHNVFDY-MRXNPFEDSA-N 2 0 336.480 -0.053 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000939760881 653041563 /nfs/dbraw/zinc/04/15/63/653041563.db2.gz YIQURUAOIUIGGX-OLZOCXBDSA-N 2 0 337.424 -0.930 20 0 EBADRP CN1CC[C@@H]([NH2+]CC2(O)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC000946918208 653261481 /nfs/dbraw/zinc/26/14/81/653261481.db2.gz FNVZLTGXFWZOKV-KGLIPLIRSA-N 2 0 338.452 -0.746 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1)C1CC1 ZINC000946924906 653270351 /nfs/dbraw/zinc/27/03/51/653270351.db2.gz LGTZWTJPXNDLMZ-KGLIPLIRSA-N 2 0 338.452 -0.842 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1 ZINC000946925785 653271778 /nfs/dbraw/zinc/27/17/78/653271778.db2.gz UIUBYDZXGXNKRJ-KBPBESRZSA-N 2 0 338.452 -0.698 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(O)(C[NH2+][C@@H]3CCCNC3=O)CC2)C1 ZINC000946927788 653273912 /nfs/dbraw/zinc/27/39/12/653273912.db2.gz MYIVOPNCXVLNQG-ZIAGYGMSSA-N 2 0 338.452 -0.840 20 0 EBADRP C[C@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)C[NH+]1CCCC1)CCO2 ZINC000949244728 653848472 /nfs/dbraw/zinc/84/84/72/653848472.db2.gz WLOFHDJPZZDEKQ-CQSZACIVSA-N 2 0 338.452 -0.351 20 0 EBADRP O=C(NC1CC2(C1)CC([NH2+][C@H]1CCNC1=O)C2)C12CC[NH+](CC1)C2 ZINC000965850088 724532168 /nfs/dbraw/zinc/53/21/68/724532168.db2.gz KIZBJABUFNLFNL-XJIRZWNVSA-N 2 0 332.448 -0.012 20 0 EBADRP C[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891403097 719423921 /nfs/dbraw/zinc/42/39/21/719423921.db2.gz HNLSWKFJBZTADG-FQUUOJAGSA-N 2 0 337.424 -0.343 20 0 EBADRP COCC[N@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](O)C1 ZINC000958076699 722301424 /nfs/dbraw/zinc/30/14/24/722301424.db2.gz JXHVPNHVENVHSE-UKRRQHHQSA-N 2 0 339.440 -0.886 20 0 EBADRP Cn1cc(CC[N@@H+]2C[C@H](O)[C@@H](CNC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC000958373215 722353869 /nfs/dbraw/zinc/35/38/69/722353869.db2.gz DGGUDFSANVSYHR-IRXDYDNUSA-N 2 0 349.479 -0.287 20 0 EBADRP Cc1oncc1C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958592767 722397566 /nfs/dbraw/zinc/39/75/66/722397566.db2.gz VTNWXAUDVUHTLW-GJZGRUSLSA-N 2 0 334.420 -0.012 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958595668 722398507 /nfs/dbraw/zinc/39/85/07/722398507.db2.gz UDYSUYJPXZUOKC-CVEARBPZSA-N 2 0 337.464 -0.082 20 0 EBADRP CC[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1)[NH+](C)C ZINC000958851343 722619202 /nfs/dbraw/zinc/61/92/02/722619202.db2.gz NFVVHBQCTYASMF-KKUMJFAQSA-N 2 0 340.468 -0.548 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC000959853106 722767940 /nfs/dbraw/zinc/76/79/40/722767940.db2.gz YXVMXXPKWFXDEB-XUWVNRHRSA-N 2 0 349.479 -0.069 20 0 EBADRP CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000961339375 723006485 /nfs/dbraw/zinc/00/64/85/723006485.db2.gz CXXSHTVBLWYXAT-YQFWSFKMSA-N 2 0 334.464 -0.005 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001019044189 728780701 /nfs/dbraw/zinc/78/07/01/728780701.db2.gz PYQCJGODEOQDSX-QWHCGFSZSA-N 2 0 337.424 -0.787 20 0 EBADRP C[N@@H+]1C[C@H](C(=O)N[C@@H]2[C@H]3CN(CC(N)=O)C[C@H]32)[C@@H](c2ccccc2)C1 ZINC000961838922 723096645 /nfs/dbraw/zinc/09/66/45/723096645.db2.gz MEJRWWMJTIUPGC-LFRCEIEQSA-N 2 0 342.443 -0.137 20 0 EBADRP CN1CCC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C23CC[NH+](CC2)C3)C1=O ZINC000962293377 723218952 /nfs/dbraw/zinc/21/89/52/723218952.db2.gz AUBLRKIGSQNHTN-BARDWOONSA-N 2 0 332.448 -0.251 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC000962596541 723292455 /nfs/dbraw/zinc/29/24/55/723292455.db2.gz YAHOCZJFTCFNDJ-AIANPOQGSA-N 2 0 334.464 -0.003 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1)[NH+](C)C ZINC000963473899 723431418 /nfs/dbraw/zinc/43/14/18/723431418.db2.gz QSMDQVNUYVSGAY-RDBSUJKOSA-N 2 0 326.441 -0.890 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2COCCN2C(=O)C[NH+]2CCCC2)C1 ZINC000964190684 723871497 /nfs/dbraw/zinc/87/14/97/723871497.db2.gz LTBQXAIGSBONFL-GJZGRUSLSA-N 2 0 338.452 -0.623 20 0 EBADRP CN(C)Cc1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)no1 ZINC000969154326 725156956 /nfs/dbraw/zinc/15/69/56/725156956.db2.gz GQKSJXWOYDIAER-GFCCVEGCSA-N 2 0 335.408 -0.227 20 0 EBADRP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC000969403877 725176791 /nfs/dbraw/zinc/17/67/91/725176791.db2.gz QAMCQZIANAZZSD-DGNOSDGRSA-N 2 0 346.435 -0.668 20 0 EBADRP Cn1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)n1 ZINC000969407822 725177245 /nfs/dbraw/zinc/17/72/45/725177245.db2.gz WYRZANLBTOKPBT-FVWRDLLJSA-N 2 0 345.447 -0.026 20 0 EBADRP C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1C[NH+](CCN2CCNC2=O)C1 ZINC000969967581 725233168 /nfs/dbraw/zinc/23/31/68/725233168.db2.gz DTGLVBVHEWWCID-HIFRSBDPSA-N 2 0 337.468 -0.068 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC000970481290 725295177 /nfs/dbraw/zinc/29/51/77/725295177.db2.gz DCVGUMKCHJPROA-ZIAGYGMSSA-N 2 0 336.436 -0.332 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC000970498473 725295990 /nfs/dbraw/zinc/29/59/90/725295990.db2.gz BUHQJRZVMNMLQX-DGCLKSJQSA-N 2 0 345.403 -0.243 20 0 EBADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1C[NH+](CCN2CCNC2=O)C1 ZINC000970746740 725323084 /nfs/dbraw/zinc/32/30/84/725323084.db2.gz NYQXBGIFRLPXOY-CYBMUJFWSA-N 2 0 335.452 -0.456 20 0 EBADRP C[N@H+](CCN1C(=O)CCC1=O)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000971202217 725353850 /nfs/dbraw/zinc/35/38/50/725353850.db2.gz UNLJFPLXNAYORR-KBPBESRZSA-N 2 0 336.436 -0.238 20 0 EBADRP C[C@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000971555639 725420918 /nfs/dbraw/zinc/42/09/18/725420918.db2.gz HWQBCJSCHNCZII-CHWSQXEVSA-N 2 0 336.440 -0.535 20 0 EBADRP C[N@H+](CCN1C(=O)CNC1=O)[C@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC000971654526 725428435 /nfs/dbraw/zinc/42/84/35/725428435.db2.gz AFPAVSXXLYNOFR-ZDUSSCGKSA-N 2 0 348.407 -0.573 20 0 EBADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]([N@H+](C)CCn3cncn3)C2)O1 ZINC000971781074 725436672 /nfs/dbraw/zinc/43/66/72/725436672.db2.gz HKFBHIZQTUKDAJ-RBSFLKMASA-N 2 0 336.440 -0.470 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2CN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC000991720296 725573191 /nfs/dbraw/zinc/57/31/91/725573191.db2.gz ZKNZMSRENZKFKP-CYBMUJFWSA-N 2 0 338.452 -0.624 20 0 EBADRP C[N@H+](CCN1CCNC1=O)[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000972733043 725588307 /nfs/dbraw/zinc/58/83/07/725588307.db2.gz OKOABTIPOQJAQI-CABCVRRESA-N 2 0 337.468 -0.114 20 0 EBADRP C[N@H+](CCN1CCNC1=O)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972735273 725588440 /nfs/dbraw/zinc/58/84/40/725588440.db2.gz LOYMXNLNMCGIQQ-AWEZNQCLSA-N 2 0 335.452 -0.360 20 0 EBADRP O=C(Cc1cnc[nH]1)N1CC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000993573625 725907912 /nfs/dbraw/zinc/90/79/12/725907912.db2.gz ZPSBKSSEXUZZRY-KBPBESRZSA-N 2 0 333.392 -0.858 20 0 EBADRP Cc1cncn1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000974272532 725925686 /nfs/dbraw/zinc/92/56/86/725925686.db2.gz FSRMNEPEXFGDRB-APIJFGDWSA-N 2 0 349.435 -0.326 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)nc1=O ZINC000995170713 726180531 /nfs/dbraw/zinc/18/05/31/726180531.db2.gz XHWLJTBJZSJYFW-CHWSQXEVSA-N 2 0 348.451 -0.421 20 0 EBADRP Cn1nncc1C[NH2+][C@H]1CN(C(=O)[C@H]2CN(C)CCO2)CC1(C)C ZINC000995610329 726279703 /nfs/dbraw/zinc/27/97/03/726279703.db2.gz ZRPOXJLVWGMOJO-KGLIPLIRSA-N 2 0 336.440 -0.528 20 0 EBADRP Cn1nncc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CN(C)CCO2)CC1(C)C ZINC000995610325 726279865 /nfs/dbraw/zinc/27/98/65/726279865.db2.gz ZRPOXJLVWGMOJO-KBPBESRZSA-N 2 0 336.440 -0.528 20 0 EBADRP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[C@H]4CC[N@@H+](C)C4)C[C@H]32)C1 ZINC000976534628 726338054 /nfs/dbraw/zinc/33/80/54/726338054.db2.gz ALSSHGSRMFJKDL-NPCUJANDSA-N 2 0 334.464 -0.147 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000976550482 726345872 /nfs/dbraw/zinc/34/58/72/726345872.db2.gz YNKLKSGKHUMEOR-NBFUAULTSA-N 2 0 334.464 -0.147 20 0 EBADRP O=C(NC1CN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1)C12CC[NH+](CC1)C2 ZINC000996476190 726403038 /nfs/dbraw/zinc/40/30/38/726403038.db2.gz UMLBJGTWRGIOTH-HUUCEWRRSA-N 2 0 348.447 -0.728 20 0 EBADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)Cn4ccnc4)C[C@H]32)O1 ZINC000976755072 726407063 /nfs/dbraw/zinc/40/70/63/726407063.db2.gz ICBMUTRJHRJEOU-SSZWKKLZSA-N 2 0 347.419 -0.825 20 0 EBADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC000996518614 726409842 /nfs/dbraw/zinc/40/98/42/726409842.db2.gz FQUMOXXZWFLWRM-OLZOCXBDSA-N 2 0 348.447 -0.286 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)nc1=O ZINC000996610109 726419956 /nfs/dbraw/zinc/41/99/56/726419956.db2.gz JQYBKRYVPVVJFD-NEPJUHHUSA-N 2 0 336.440 -0.613 20 0 EBADRP O=C([C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC([NH2+]CCn2cncn2)CC1 ZINC000996621196 726420292 /nfs/dbraw/zinc/42/02/92/726420292.db2.gz QHVAXQYLNCYCNB-CVEARBPZSA-N 2 0 348.451 -0.278 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000996622381 726420400 /nfs/dbraw/zinc/42/04/00/726420400.db2.gz MGVXKVAUPQOBDZ-OLZOCXBDSA-N 2 0 326.441 -0.733 20 0 EBADRP Cn1nnnc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000996621746 726420481 /nfs/dbraw/zinc/42/04/81/726420481.db2.gz SJMLOPMUWFLFPJ-KGLIPLIRSA-N 2 0 349.439 -0.846 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000997062434 726436883 /nfs/dbraw/zinc/43/68/83/726436883.db2.gz BTLGZSIAQCKKLC-DBQDNQAGSA-N 2 0 348.447 -0.728 20 0 EBADRP C[C@@H]([NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1)c1nnnn1C ZINC000997187428 726440439 /nfs/dbraw/zinc/44/04/39/726440439.db2.gz NRYPQTIMEJLROW-GFCCVEGCSA-N 2 0 333.440 -0.053 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC([NH2+][C@H](C)C(N)=O)CC1 ZINC000997313002 726445832 /nfs/dbraw/zinc/44/58/32/726445832.db2.gz MEFXJNBXXUKFFB-CHWSQXEVSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000997314425 726445888 /nfs/dbraw/zinc/44/58/88/726445888.db2.gz YBRWSCWODYVSJH-ZFWWWQNUSA-N 2 0 338.452 -0.576 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2nnnn2C)CC1 ZINC000998080885 726475058 /nfs/dbraw/zinc/47/50/58/726475058.db2.gz FJOVUNKTFBNAFN-JSGCOSHPSA-N 2 0 335.456 -0.264 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CCC[C@H]([NH2+][C@@H]3CCNC3=O)C2)n1 ZINC000999181771 726510120 /nfs/dbraw/zinc/51/01/20/726510120.db2.gz MKBSYBRMCZDVRW-UONOGXRCSA-N 2 0 348.451 -0.473 20 0 EBADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1)C(N)=O ZINC000999180181 726510137 /nfs/dbraw/zinc/51/01/37/726510137.db2.gz FQHBHZFDEJKONM-STQMWFEESA-N 2 0 336.440 -0.487 20 0 EBADRP COCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999962309 726544933 /nfs/dbraw/zinc/54/49/33/726544933.db2.gz LKZGTKJTSZVOFC-GJZGRUSLSA-N 2 0 336.440 -0.118 20 0 EBADRP COCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999962308 726544952 /nfs/dbraw/zinc/54/49/52/726544952.db2.gz LKZGTKJTSZVOFC-CABCVRRESA-N 2 0 336.440 -0.118 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCc2cn([C@@H]3CC[NH+](CCCO)C3)nn2)C1 ZINC001000043351 726552956 /nfs/dbraw/zinc/55/29/56/726552956.db2.gz KDNQYPGXQSAQPY-UKRRQHHQSA-N 2 0 336.440 -0.525 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001000082557 726554134 /nfs/dbraw/zinc/55/41/34/726554134.db2.gz QRLDXZADRCQCGF-KGLIPLIRSA-N 2 0 336.436 -0.286 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CCN3CCNC3=O)C2)CC1 ZINC001000081882 726554148 /nfs/dbraw/zinc/55/41/48/726554148.db2.gz OFGPCZGGOJAUQO-OAHLLOKOSA-N 2 0 337.468 -0.066 20 0 EBADRP O=C(N1CCC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001000704402 726575730 /nfs/dbraw/zinc/57/57/30/726575730.db2.gz XLKSORVBTJSCOK-OLZOCXBDSA-N 2 0 334.420 -0.532 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001000922376 726584114 /nfs/dbraw/zinc/58/41/14/726584114.db2.gz AQSDWTVZCAPQLX-ZIAGYGMSSA-N 2 0 336.436 -0.332 20 0 EBADRP CCN1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001000968663 726585603 /nfs/dbraw/zinc/58/56/03/726585603.db2.gz KMUXFMBEJANBEY-CABCVRRESA-N 2 0 338.452 -0.480 20 0 EBADRP C[NH+]1CCC(C(=O)NC2CC[NH+](CCN3CCNC3=O)CC2)CC1 ZINC001003547268 726679057 /nfs/dbraw/zinc/67/90/57/726679057.db2.gz KJKXHJLBYRJTSZ-UHFFFAOYSA-N 2 0 337.468 -0.066 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1 ZINC001009273887 726884261 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Cn1cnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001020165149 729089411 /nfs/dbraw/zinc/08/94/11/729089411.db2.gz MEAWEOXVWRKZAG-JOCQHMNTSA-N 2 0 346.439 -0.376 20 0 EBADRP CCn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001020179192 729092255 /nfs/dbraw/zinc/09/22/55/729092255.db2.gz RPAFOOXSRSHXCD-YXWQFLTLSA-N 2 0 348.451 -0.102 20 0 EBADRP CCn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001020179191 729092588 /nfs/dbraw/zinc/09/25/88/729092588.db2.gz RPAFOOXSRSHXCD-RZLSGREXSA-N 2 0 348.451 -0.102 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001020214010 729102696 /nfs/dbraw/zinc/10/26/96/729102696.db2.gz DNJYHZGHRORADF-AVGNSLFASA-N 2 0 336.440 -0.280 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001020297237 729126924 /nfs/dbraw/zinc/12/69/24/729126924.db2.gz DDLHHLDKUFVMGK-IHRRRGAJSA-N 2 0 336.436 -0.144 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001020301080 729127458 /nfs/dbraw/zinc/12/74/58/729127458.db2.gz OQFPKUONELCHJZ-KKUMJFAQSA-N 2 0 338.452 -0.434 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCn4cncc4C3)C2)nc1=O ZINC001020308717 729129268 /nfs/dbraw/zinc/12/92/68/729129268.db2.gz NFVQFTZDOAIBHF-IJLUTSLNSA-N 2 0 345.407 -0.696 20 0 EBADRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]([NH2+]CCN3CCNC3=O)C2)CC1 ZINC001020679652 729216754 /nfs/dbraw/zinc/21/67/54/729216754.db2.gz VSXQDUGWZNNAGE-SHTZXODSSA-N 2 0 337.468 -0.020 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCCNC3=O)C2)cn1 ZINC001020722452 729223866 /nfs/dbraw/zinc/22/38/66/729223866.db2.gz ZLOQWLBLBHCNGJ-KKUMJFAQSA-N 2 0 348.451 -0.426 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001020928438 729257435 /nfs/dbraw/zinc/25/74/35/729257435.db2.gz DVHZULCGHBIWOQ-IHRRRGAJSA-N 2 0 336.436 -0.286 20 0 EBADRP O=C(N[C@H]1C[C@H]([NH2+]Cc2nnc3n2CCOC3)C1)C12CC[NH+](CC1)C2 ZINC001020934685 729258462 /nfs/dbraw/zinc/25/84/62/729258462.db2.gz YFMGPLZKTKMVEF-JOCQHMNTSA-N 2 0 346.435 -0.359 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)CCO1 ZINC001021044201 729274261 /nfs/dbraw/zinc/27/42/61/729274261.db2.gz JTKXHGFTNKVVAV-AJNGGQMLSA-N 2 0 338.452 -0.578 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001021091425 729282150 /nfs/dbraw/zinc/28/21/50/729282150.db2.gz VSEHCLSVSVLSPO-WNGYAQOMSA-N 2 0 336.440 -0.282 20 0 EBADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCO)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001021328941 729305711 /nfs/dbraw/zinc/30/57/11/729305711.db2.gz NCLVFBBMDJAKJV-ZCNPNEATSA-N 2 0 335.448 -0.047 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001021904727 729344957 /nfs/dbraw/zinc/34/49/57/729344957.db2.gz CCBZVQWTWJYPED-YIYPIFLZSA-N 2 0 329.466 -0.248 20 0 EBADRP CCn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001022120839 729457619 /nfs/dbraw/zinc/45/76/19/729457619.db2.gz RPAFOOXSRSHXCD-KNCOVGOOSA-N 2 0 348.451 -0.102 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001022165302 729462724 /nfs/dbraw/zinc/46/27/24/729462724.db2.gz YVHFOTPEVFZPNV-RFQIPJPRSA-N 2 0 336.436 -0.097 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001022165303 729462773 /nfs/dbraw/zinc/46/27/73/729462773.db2.gz YVHFOTPEVFZPNV-RQJABVFESA-N 2 0 336.436 -0.097 20 0 EBADRP O=C(C[NH2+][C@@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1)N1CCC1 ZINC001022451652 729495197 /nfs/dbraw/zinc/49/51/97/729495197.db2.gz DNJXZVMMDIXRAJ-IVXJQHRYSA-N 2 0 348.447 -0.681 20 0 EBADRP O=C(N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001022452618 729495562 /nfs/dbraw/zinc/49/55/62/729495562.db2.gz OZQRNBJXCHWRGH-YJGOIOHGSA-N 2 0 348.447 -0.635 20 0 EBADRP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001022612878 729518184 /nfs/dbraw/zinc/51/81/84/729518184.db2.gz IHYVRKPZAZUYNG-FRRDWIJNSA-N 2 0 348.403 -0.003 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnc4n3CCOC4)C2)C1 ZINC001022716516 729524183 /nfs/dbraw/zinc/52/41/83/729524183.db2.gz YNDFWDQUQABXRW-MCIONIFRSA-N 2 0 348.451 -0.113 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001022712564 729524492 /nfs/dbraw/zinc/52/44/92/729524492.db2.gz UGFDXWNAWZURBZ-RWMBFGLXSA-N 2 0 337.424 -0.741 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)cn1 ZINC001022838371 729536659 /nfs/dbraw/zinc/53/66/59/729536659.db2.gz MGOWRGPZQBXIEN-HZSPNIEDSA-N 2 0 334.424 -0.816 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001023088732 729599241 /nfs/dbraw/zinc/59/92/41/729599241.db2.gz GMUFQJOLAPGBHE-MELADBBJSA-N 2 0 329.466 -0.246 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1O ZINC001023208760 729638071 /nfs/dbraw/zinc/63/80/71/729638071.db2.gz XCOSZOIQQULODX-RBSFLKMASA-N 2 0 338.452 -0.890 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001024135844 729849471 /nfs/dbraw/zinc/84/94/71/729849471.db2.gz PYWCFYCNBBKSGO-ZDUSSCGKSA-N 2 0 335.456 -0.120 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1=O ZINC001024263330 729867691 /nfs/dbraw/zinc/86/76/91/729867691.db2.gz CPGGFNHMTFPOND-CHWSQXEVSA-N 2 0 336.440 -0.612 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001024501813 729895351 /nfs/dbraw/zinc/89/53/51/729895351.db2.gz IZAVEFFYZOBCIM-RBSFLKMASA-N 2 0 338.452 -0.746 20 0 EBADRP CN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+]3CCC2CC3)C1=O ZINC001025787289 730088147 /nfs/dbraw/zinc/08/81/47/730088147.db2.gz KNQKQJLWOMWMRE-ARKGTOAJSA-N 2 0 332.448 -0.395 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H](O)Cn4cccn4)C[C@H]32)CC[N@@H+]1C ZINC001025792880 730089276 /nfs/dbraw/zinc/08/92/76/730089276.db2.gz BAHHKBXHPASVHV-KPLDXPABSA-N 2 0 347.463 -0.369 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025820327 730096998 /nfs/dbraw/zinc/09/69/98/730096998.db2.gz MZETWQHZBABXKE-OKWIKPQFSA-N 2 0 334.420 -0.678 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001026043415 730117413 /nfs/dbraw/zinc/11/74/13/730117413.db2.gz RRTOERUUWWSRRF-JLOCXQCDSA-N 2 0 347.463 -0.225 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001026734555 730156830 /nfs/dbraw/zinc/15/68/30/730156830.db2.gz PGVSBALEJOCBPI-ZIAGYGMSSA-N 2 0 348.451 -0.159 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nc1=O ZINC001026846921 730163037 /nfs/dbraw/zinc/16/30/37/730163037.db2.gz FPSBHMLBTGEFGR-GXTWGEPZSA-N 2 0 348.451 -0.612 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)nc1=O ZINC001026846922 730163098 /nfs/dbraw/zinc/16/30/98/730163098.db2.gz FPSBHMLBTGEFGR-JSGCOSHPSA-N 2 0 348.451 -0.612 20 0 EBADRP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001026964351 730177067 /nfs/dbraw/zinc/17/70/67/730177067.db2.gz LUJUSYOREFUVBF-KKVZTGDRSA-N 2 0 347.419 -0.129 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@H](C[NH2+]Cc2nnnn2C)C1 ZINC001027173382 730194958 /nfs/dbraw/zinc/19/49/58/730194958.db2.gz PAISBLNJPQODIG-LBPRGKRZSA-N 2 0 344.423 -0.077 20 0 EBADRP CCCn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027215647 730199988 /nfs/dbraw/zinc/19/99/88/730199988.db2.gz KSIXFMZVNRHECO-ZIAGYGMSSA-N 2 0 335.456 -0.027 20 0 EBADRP O=C(NC[C@@H]1CCC[N@H+]1C[C@H](O)Cn1cccn1)C12CC[NH+](CC1)C2 ZINC001028267030 730279004 /nfs/dbraw/zinc/27/90/04/730279004.db2.gz DYTDADAMJVDQKL-HOTGVXAUSA-N 2 0 347.463 -0.080 20 0 EBADRP O=C(NC[C@H]1CC[N@H+](CCN2CCNC2=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001028545432 730311798 /nfs/dbraw/zinc/31/17/98/730311798.db2.gz QCAUTXXABWJOCF-GDBMZVCRSA-N 2 0 349.479 -0.209 20 0 EBADRP O=C(NC[C@H]1CC[N@H+](CCN2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001028932410 730372489 /nfs/dbraw/zinc/37/24/89/730372489.db2.gz HWFGQSQYVPGILQ-CQSZACIVSA-N 2 0 335.452 -0.455 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+](CCN3C(=O)CCC3=O)C2)C1 ZINC001028982405 730378072 /nfs/dbraw/zinc/37/80/72/730378072.db2.gz KKMGUHJGHHLPPN-KBPBESRZSA-N 2 0 336.436 -0.475 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)N3CCOCC3)C2)C1 ZINC001028986122 730378242 /nfs/dbraw/zinc/37/82/42/730378242.db2.gz PDYSDTDSXXVNFN-LSDHHAIUSA-N 2 0 338.452 -0.765 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)N3CCOCC3)C2)C1 ZINC001028986120 730378373 /nfs/dbraw/zinc/37/83/73/730378373.db2.gz PDYSDTDSXXVNFN-GJZGRUSLSA-N 2 0 338.452 -0.765 20 0 EBADRP C[N@H+](C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1)[C@@H]1CCC(=O)NC1=O ZINC001029905945 730523003 /nfs/dbraw/zinc/52/30/03/730523003.db2.gz XZEWANYYEVPWOI-ZIAGYGMSSA-N 2 0 336.436 -0.332 20 0 EBADRP Cn1nccc1CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001031689101 730751292 /nfs/dbraw/zinc/75/12/92/730751292.db2.gz SCMNYGXGJSYLOM-DLBZAZTESA-N 2 0 347.463 -0.126 20 0 EBADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001033080762 730967765 /nfs/dbraw/zinc/96/77/65/730967765.db2.gz IYLNBCIRUNFUOT-JKSUJKDBSA-N 2 0 349.479 -0.114 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CCC[C@@H]2C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001035086696 731184343 /nfs/dbraw/zinc/18/43/43/731184343.db2.gz DHQWVORLRBNPOX-UKRRQHHQSA-N 2 0 338.452 -0.434 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](O)(CNC(=O)CCc2ncc[nH]2)C1 ZINC001039591718 731456106 /nfs/dbraw/zinc/45/61/06/731456106.db2.gz WVHBOYHWROSVJN-CXAGYDPISA-N 2 0 349.435 -0.484 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039760761 731524346 /nfs/dbraw/zinc/52/43/46/731524346.db2.gz SNEYINIZSYREIB-PBHICJAKSA-N 2 0 340.468 -0.641 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001039760894 731524931 /nfs/dbraw/zinc/52/49/31/731524931.db2.gz VFKUZNJHWINELI-RHSMWYFYSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001039786039 731533993 /nfs/dbraw/zinc/53/39/93/731533993.db2.gz NXVBEGPACRTFEO-KRWDZBQOSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039787423 731535331 /nfs/dbraw/zinc/53/53/31/731535331.db2.gz NFRFBFOCPMKEKJ-RHSMWYFYSA-N 2 0 340.468 -0.641 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040101096 731599152 /nfs/dbraw/zinc/59/91/52/731599152.db2.gz SBGUWEKGSUIJPW-INIZCTEOSA-N 2 0 328.457 -0.642 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001040248930 731664938 /nfs/dbraw/zinc/66/49/38/731664938.db2.gz URXLUMXBJDDCDM-YOEHRIQHSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1)[NH+](C)C ZINC001040360541 731713137 /nfs/dbraw/zinc/71/31/37/731713137.db2.gz XYMLSFNROHEUJP-WMLDXEAASA-N 2 0 340.468 -0.498 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001040449989 731738648 /nfs/dbraw/zinc/73/86/48/731738648.db2.gz NKFPJNOTQCBBJV-YOEHRIQHSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001040496718 731759734 /nfs/dbraw/zinc/75/97/34/731759734.db2.gz YTZIPWQDDPMWLM-CPUCHLNUSA-N 2 0 338.452 -0.746 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001061427745 738537971 /nfs/dbraw/zinc/53/79/71/738537971.db2.gz DFYVKPBGZDWFJC-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040716994 731845423 /nfs/dbraw/zinc/84/54/23/731845423.db2.gz AAFCBKRRRVAFFJ-QGZVFWFLSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001040797165 731878858 /nfs/dbraw/zinc/87/88/58/731878858.db2.gz CCPUWVLMNUYPDI-CZUORRHYSA-N 2 0 328.457 -0.642 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001040801676 731881660 /nfs/dbraw/zinc/88/16/60/731881660.db2.gz UMQFNRGMPKAXCZ-MRXNPFEDSA-N 2 0 326.441 -0.887 20 0 EBADRP NC(=O)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC001041487730 732139789 /nfs/dbraw/zinc/13/97/89/732139789.db2.gz DDZCCDPAZYURJD-KJUJZPGYSA-N 2 0 348.447 -0.741 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042097103 732305687 /nfs/dbraw/zinc/30/56/87/732305687.db2.gz DRTGUPNJLVIKHC-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP C[N@H+](CC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[NH+]2C)C1)C1CCC1 ZINC001042103106 732312755 /nfs/dbraw/zinc/31/27/55/732312755.db2.gz AYBCYAXLIVFCTA-CQSZACIVSA-N 2 0 338.452 -0.746 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001061594971 738634510 /nfs/dbraw/zinc/63/45/10/738634510.db2.gz ALKCKABVDNEGGV-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001061595763 738635530 /nfs/dbraw/zinc/63/55/30/738635530.db2.gz OGYREWMDNQCBKG-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061600349 738640778 /nfs/dbraw/zinc/64/07/78/738640778.db2.gz MIJPMKDZAKZUMF-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061600125 738640969 /nfs/dbraw/zinc/64/09/69/738640969.db2.gz HYXGBYSYKMBSHT-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC001061600663 738641462 /nfs/dbraw/zinc/64/14/62/738641462.db2.gz RGLFONKWIMUINV-OAHLLOKOSA-N 2 0 338.452 -0.478 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043116562 732766098 /nfs/dbraw/zinc/76/60/98/732766098.db2.gz PDGJQZYFNPHIRR-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001043160210 732797020 /nfs/dbraw/zinc/79/70/20/732797020.db2.gz YYHKANBRSIEPJV-UHFFFAOYSA-N 2 0 326.441 -0.887 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2COCCN2C(=O)CC[NH+](C)C)CC[N@@H+]1C ZINC001061620650 738654325 /nfs/dbraw/zinc/65/43/25/738654325.db2.gz DVBHADALFBOWBW-RBSFLKMASA-N 2 0 340.468 -0.378 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001043431233 732936041 /nfs/dbraw/zinc/93/60/41/732936041.db2.gz PQQSXDFWNAFWAA-UHFFFAOYSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[C@H](C(=O)N1CC(O)(CNC(=O)C2([NH+](C)C)CCC2)C1)[NH+](C)C ZINC001043456246 732950363 /nfs/dbraw/zinc/95/03/63/732950363.db2.gz SRERCWITPNNJAR-CYBMUJFWSA-N 2 0 340.468 -0.500 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1)C1CC1 ZINC001043461163 732952132 /nfs/dbraw/zinc/95/21/32/732952132.db2.gz CIVJBRVGDKVVMC-OAHLLOKOSA-N 2 0 338.452 -0.888 20 0 EBADRP CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC001043677325 733054949 /nfs/dbraw/zinc/05/49/49/733054949.db2.gz GQOKETAPMJZRDO-OLZOCXBDSA-N 2 0 326.441 -0.890 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001061651697 738673194 /nfs/dbraw/zinc/67/31/94/738673194.db2.gz VQMPWBUEVNJGCU-GJZGRUSLSA-N 2 0 340.468 -0.378 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001061654760 738674178 /nfs/dbraw/zinc/67/41/78/738674178.db2.gz BRKWEGWVAKWCGT-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+]1CCC(C(=O)NCC2(O)CN(C(=O)CCc3c[nH]cn3)C2)CC1 ZINC001043712612 733073164 /nfs/dbraw/zinc/07/31/64/733073164.db2.gz YLXPXEIDJOCSHC-UHFFFAOYSA-N 2 0 349.435 -0.626 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001043771418 733105664 /nfs/dbraw/zinc/10/56/64/733105664.db2.gz VMAWHPFZMDUORD-UONOGXRCSA-N 2 0 338.452 -0.746 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001044011544 733245637 /nfs/dbraw/zinc/24/56/37/733245637.db2.gz QPNKBCFOYYPCGX-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1)[NH+](C)C ZINC001044043897 733260108 /nfs/dbraw/zinc/26/01/08/733260108.db2.gz GQPRRNGJVMSNNO-UONOGXRCSA-N 2 0 340.468 -0.644 20 0 EBADRP CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1)[NH+](C)C ZINC001044287098 733356816 /nfs/dbraw/zinc/35/68/16/733356816.db2.gz DBDVTPMNQJCYLV-ZIAGYGMSSA-N 2 0 342.484 -0.398 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001044287883 733357377 /nfs/dbraw/zinc/35/73/77/733357377.db2.gz USFOFBVYYYDTEM-OAHLLOKOSA-N 2 0 342.484 -0.396 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001044302630 733368360 /nfs/dbraw/zinc/36/83/60/733368360.db2.gz LTCARFGFGIWALN-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001061739907 738732053 /nfs/dbraw/zinc/73/20/53/738732053.db2.gz FSIIAYXEJUQCNS-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCCN2C(=O)C23CC[NH+](CC2)C3)nc1=O ZINC001045274139 733645392 /nfs/dbraw/zinc/64/53/92/733645392.db2.gz GCXOTGYPOIJIDK-LBPRGKRZSA-N 2 0 334.424 -0.715 20 0 EBADRP CN(C)C(=O)C[NH+]1CCC(C)(NC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001045397533 733686644 /nfs/dbraw/zinc/68/66/44/733686644.db2.gz FQVFKSGBKULROA-ZDUSSCGKSA-N 2 0 326.441 -0.624 20 0 EBADRP CN1CCO[C@H](C(=O)NC2(C)CC[NH+]([C@H]3CCCNC3=O)CC2)C1 ZINC001045397810 733686717 /nfs/dbraw/zinc/68/67/17/733686717.db2.gz PGBBFFHVFQSZOI-KBPBESRZSA-N 2 0 338.452 -0.434 20 0 EBADRP C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001045413658 733690332 /nfs/dbraw/zinc/69/03/32/733690332.db2.gz VNVCSRNUCDNZMT-CYBMUJFWSA-N 2 0 326.441 -0.888 20 0 EBADRP C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001045417707 733691386 /nfs/dbraw/zinc/69/13/86/733691386.db2.gz LMDGSWKKAUOUKK-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CCN([C@H]2CC[N@H+](CCCO)C2)CC1)C1CC1 ZINC001046035793 733819290 /nfs/dbraw/zinc/81/92/90/733819290.db2.gz SVXKQKRQCZJIFV-DLBZAZTESA-N 2 0 338.496 -0.073 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[NH+](CCN2C(=O)CNC2=O)C1 ZINC001046197723 733875600 /nfs/dbraw/zinc/87/56/00/733875600.db2.gz PCIQMCAFWXFIGU-MLGOLLRUSA-N 2 0 337.424 -0.787 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001046525193 733953571 /nfs/dbraw/zinc/95/35/71/733953571.db2.gz HNNANOBOLPOQES-UHFFFAOYSA-N 2 0 328.457 -0.641 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046664922 733993218 /nfs/dbraw/zinc/99/32/18/733993218.db2.gz LIFBRULAJJLJEE-KBPBESRZSA-N 2 0 338.452 -0.746 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001046685486 734004350 /nfs/dbraw/zinc/00/43/50/734004350.db2.gz UKEYEYFCYMXSIX-CQSZACIVSA-N 2 0 340.468 -0.642 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001046685894 734004857 /nfs/dbraw/zinc/00/48/57/734004857.db2.gz XEISYXUULSDZOP-CQSZACIVSA-N 2 0 338.452 -0.887 20 0 EBADRP C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001046777112 734025253 /nfs/dbraw/zinc/02/52/53/734025253.db2.gz RDJKYLZGHCSBKC-WBVHZDCISA-N 2 0 347.463 -0.080 20 0 EBADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O ZINC001047483678 734219877 /nfs/dbraw/zinc/21/98/77/734219877.db2.gz GRSKJRJQZRZRNN-KBXIAJHMSA-N 2 0 348.451 -0.637 20 0 EBADRP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001047510747 734232851 /nfs/dbraw/zinc/23/28/51/734232851.db2.gz FFCIGODTSJEGKM-HOTGVXAUSA-N 2 0 335.452 -0.272 20 0 EBADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CN(CC(=O)N2CCC2)C[C@@H]1O ZINC001047595604 734273832 /nfs/dbraw/zinc/27/38/32/734273832.db2.gz HMQWQFVIJMPWDA-ILXRZTDVSA-N 2 0 338.452 -0.936 20 0 EBADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CN(Cc2cnn(C)c2)C[C@@H]1O ZINC001047595576 734274092 /nfs/dbraw/zinc/27/40/92/734274092.db2.gz GXNVTOGDTSFGSW-KBMXLJTQSA-N 2 0 335.452 -0.235 20 0 EBADRP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001047629047 734290891 /nfs/dbraw/zinc/29/08/91/734290891.db2.gz QUEWFEYPYBXGBZ-PMPSAXMXSA-N 2 0 335.452 -0.582 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C[NH2+]Cc1nnnn1C ZINC001048442543 734419352 /nfs/dbraw/zinc/41/93/52/734419352.db2.gz VRNRKCIDZMAXBV-OLZOCXBDSA-N 2 0 333.440 -0.510 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001048824001 734525724 /nfs/dbraw/zinc/52/57/24/734525724.db2.gz QBHVSRABEZAXKQ-YVSFHVDLSA-N 2 0 346.475 -0.003 20 0 EBADRP CN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H](C4CC4)[NH+](C)C)C[C@H]3C2)C1=O ZINC001048864383 734543428 /nfs/dbraw/zinc/54/34/28/734543428.db2.gz XNDLODNLWXOPQY-QKPAOTATSA-N 2 0 334.464 -0.053 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001048873442 734549295 /nfs/dbraw/zinc/54/92/95/734549295.db2.gz FXVCVOBYHCMBHH-KKUMJFAQSA-N 2 0 340.468 -0.690 20 0 EBADRP CC[NH+](CC)CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC001048876485 734551698 /nfs/dbraw/zinc/55/16/98/734551698.db2.gz JUCYUMAFPXRGBF-ILXRZTDVSA-N 2 0 340.468 -0.548 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[NH+](CC)CC)C1 ZINC001048880716 734555512 /nfs/dbraw/zinc/55/55/12/734555512.db2.gz MTALVKRYGKGUCF-GJZGRUSLSA-N 2 0 342.484 -0.300 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2O)CC[N@@H+]1C ZINC001048920093 734571052 /nfs/dbraw/zinc/57/10/52/734571052.db2.gz JLYROFCIHXIUSW-KBXIAJHMSA-N 2 0 340.468 -0.692 20 0 EBADRP C[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943416 734579222 /nfs/dbraw/zinc/57/92/22/734579222.db2.gz CHXURYLUVGNGAU-VFVZIKSWSA-N 2 0 348.447 -0.886 20 0 EBADRP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@H]2C1 ZINC001048959410 734584426 /nfs/dbraw/zinc/58/44/26/734584426.db2.gz ICVFBZYKOLATQP-HLLBOEOZSA-N 2 0 334.464 -0.003 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[N@@H+](CCCO)C[C@@H]3C2)CC1 ZINC001049135074 734658248 /nfs/dbraw/zinc/65/82/48/734658248.db2.gz FVUKSMYLGRJBDW-GASCZTMLSA-N 2 0 325.453 -0.130 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001049150410 734664083 /nfs/dbraw/zinc/66/40/83/734664083.db2.gz YEIPJRBDXGIZSV-GJZGRUSLSA-N 2 0 340.468 -0.546 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[N@H+](C[C@H](C)O)C[C@@H]2C1 ZINC001049215677 734687835 /nfs/dbraw/zinc/68/78/35/734687835.db2.gz IPEAXKIFIHDYKF-QXSJWSMHSA-N 2 0 325.453 -0.274 20 0 EBADRP CN(C(=O)CC[NH+](C)C)[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC001049428428 734727233 /nfs/dbraw/zinc/72/72/33/734727233.db2.gz ITCJBISLHNFUCU-IHRRRGAJSA-N 2 0 326.441 -0.938 20 0 EBADRP CC[N@H+](C)CCC(=O)N(C)[C@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@@H]1O ZINC001049542088 734749412 /nfs/dbraw/zinc/74/94/12/734749412.db2.gz FQEZVJXVTMNUPR-GJZGRUSLSA-N 2 0 342.484 -0.302 20 0 EBADRP CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1O)[NH+](C)C ZINC001049578540 734758954 /nfs/dbraw/zinc/75/89/54/734758954.db2.gz ZVBRGNOHKKHKOX-QPSCCSFWSA-N 2 0 340.468 -0.692 20 0 EBADRP O=C(N1CC2(C1)CC[NH+]([C@H]1CCNC1=O)CC2)C12CC[NH+](CC1)C2 ZINC001050732400 734951122 /nfs/dbraw/zinc/95/11/22/734951122.db2.gz UJVFWVITSYCSSI-AWEZNQCLSA-N 2 0 332.448 -0.105 20 0 EBADRP C[C@@H](O)C[NH+]1CCN([C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001052108500 735550908 /nfs/dbraw/zinc/55/09/08/735550908.db2.gz NOXDOIIUTVRNLP-HZPDHXFCSA-N 2 0 336.480 -0.319 20 0 EBADRP CC(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001055585620 736393327 /nfs/dbraw/zinc/39/33/27/736393327.db2.gz CYXOGULIVSJMGY-HZPDHXFCSA-N 2 0 338.452 -0.434 20 0 EBADRP COCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055583238 736393368 /nfs/dbraw/zinc/39/33/68/736393368.db2.gz FQRHAXKCHGXGFD-UKRRQHHQSA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH+](C)CCC(=O)NC1CC[NH+](CCNC(=O)c2ccncn2)CC1 ZINC001055622122 736409244 /nfs/dbraw/zinc/40/92/44/736409244.db2.gz DCIZLRWQCLYRMJ-UHFFFAOYSA-N 2 0 348.451 -0.261 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)c2ccon2)CC1 ZINC001055633560 736417651 /nfs/dbraw/zinc/41/76/51/736417651.db2.gz SQYBMKJERLCKQS-UHFFFAOYSA-N 2 0 337.424 -0.063 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001055953368 736567784 /nfs/dbraw/zinc/56/77/84/736567784.db2.gz WVFQLTCWPMYMAQ-KRWDZBQOSA-N 2 0 340.468 -0.496 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001056104535 736642849 /nfs/dbraw/zinc/64/28/49/736642849.db2.gz DAFLSKYJIBPEMB-QGZVFWFLSA-N 2 0 342.484 -0.250 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC001057213890 737088723 /nfs/dbraw/zinc/08/87/23/737088723.db2.gz QIZAWIZJALSDKP-KFWWJZLASA-N 2 0 340.468 -0.642 20 0 EBADRP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057640951 737381617 /nfs/dbraw/zinc/38/16/17/737381617.db2.gz RMLBHJSHKKJGSQ-UHFFFAOYSA-N 2 0 328.457 -0.639 20 0 EBADRP CC(C)[C@H](C(=O)NCCN(CCO)C(=O)C[N@H+](C)C(C)C)[NH+](C)C ZINC001057863446 737484237 /nfs/dbraw/zinc/48/42/37/737484237.db2.gz RWDOJBGEHPLAHV-MRXNPFEDSA-N 2 0 344.500 -0.150 20 0 EBADRP CC(C)[C@@H](C(=O)NCCN(CCO)C(=O)C[N@H+](C)C(C)C)[NH+](C)C ZINC001057863445 737484562 /nfs/dbraw/zinc/48/45/62/737484562.db2.gz RWDOJBGEHPLAHV-INIZCTEOSA-N 2 0 344.500 -0.150 20 0 EBADRP C[NH+](C)C1(C(=O)N(CCO)CCNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001057875565 737494439 /nfs/dbraw/zinc/49/44/39/737494439.db2.gz ZXJSDLMNPBTNKK-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001057876804 737496589 /nfs/dbraw/zinc/49/65/89/737496589.db2.gz SCKHMZCNZNPABB-MRXNPFEDSA-N 2 0 342.484 -0.395 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001057877060 737497011 /nfs/dbraw/zinc/49/70/11/737497011.db2.gz XSMJDFOPGYYJEX-MRXNPFEDSA-N 2 0 342.484 -0.396 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)C(C)(C)[NH+](C)CC ZINC001057942581 737546020 /nfs/dbraw/zinc/54/60/20/737546020.db2.gz MIAINSVUKUNGAC-UHFFFAOYSA-N 2 0 344.500 -0.004 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1CCCC[NH+]1C ZINC001058038616 737601031 /nfs/dbraw/zinc/60/10/31/737601031.db2.gz BBGSAKWVXDPFDM-OAHLLOKOSA-N 2 0 342.484 -0.250 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1CCCC[NH+]1C ZINC001058040711 737603115 /nfs/dbraw/zinc/60/31/15/737603115.db2.gz YDUQSXZOKPWQAT-GJZGRUSLSA-N 2 0 340.468 -0.498 20 0 EBADRP CC(C)[C@H](C(=O)N(CCO)CCNC(=O)CCC[NH+](C)C)[NH+](C)C ZINC001058250623 737733277 /nfs/dbraw/zinc/73/32/77/737733277.db2.gz APZIYBVOSYGPQY-MRXNPFEDSA-N 2 0 344.500 -0.149 20 0 EBADRP CCC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)C[NH+](CC)CC ZINC001058252766 737735510 /nfs/dbraw/zinc/73/55/10/737735510.db2.gz WLDNPDINRJZLOP-UHFFFAOYSA-N 2 0 344.500 -0.003 20 0 EBADRP C[NH+](C)CC1(C(=O)N(CCO)CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001058600177 737915879 /nfs/dbraw/zinc/91/58/79/737915879.db2.gz NSYNULMYDLNWJN-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058607644 737919999 /nfs/dbraw/zinc/91/99/99/737919999.db2.gz JHWLEIUJQUCRFA-HUUCEWRRSA-N 2 0 342.484 -0.537 20 0 EBADRP C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001058610288 737920814 /nfs/dbraw/zinc/92/08/14/737920814.db2.gz FRPWGNCLSGCZLU-UHFFFAOYSA-N 2 0 340.468 -0.639 20 0 EBADRP CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001058815925 738003175 /nfs/dbraw/zinc/00/31/75/738003175.db2.gz ANXHLAVJLJLWQP-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC001058816274 738003884 /nfs/dbraw/zinc/00/38/84/738003884.db2.gz QBYGDNSSFDWXMI-HUUCEWRRSA-N 2 0 342.484 -0.537 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001058845336 738025388 /nfs/dbraw/zinc/02/53/88/738025388.db2.gz LCZKYGGUSWEBKD-HNNXBMFYSA-N 2 0 342.484 -0.393 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001058846768 738027698 /nfs/dbraw/zinc/02/76/98/738027698.db2.gz FJSCVXVXEPYERS-HUUCEWRRSA-N 2 0 340.468 -0.783 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001058848314 738030538 /nfs/dbraw/zinc/03/05/38/738030538.db2.gz DBSYPIVNNQMNPI-KGLIPLIRSA-N 2 0 328.457 -0.927 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001064978315 739456856 /nfs/dbraw/zinc/45/68/56/739456856.db2.gz QNIWATMBZAXFID-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065172259 739578505 /nfs/dbraw/zinc/57/85/05/739578505.db2.gz WCDCZEJQOFIDGC-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001065178100 739582034 /nfs/dbraw/zinc/58/20/34/739582034.db2.gz NIVQNQRMVGQXEM-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001065254964 739615449 /nfs/dbraw/zinc/61/54/49/739615449.db2.gz AVWJNODCMDMRIJ-CQSZACIVSA-N 2 0 328.457 -0.378 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001065261439 739618631 /nfs/dbraw/zinc/61/86/31/739618631.db2.gz BBIAUNYSKXPOBF-HOCLYGCPSA-N 2 0 342.484 -0.132 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001065302523 739637478 /nfs/dbraw/zinc/63/74/78/739637478.db2.gz YHFDGTLIULFMCZ-OAHLLOKOSA-N 2 0 340.468 -0.377 20 0 EBADRP CC[C@@H](C(=O)N1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1)[NH+](C)C ZINC001065373547 739680509 /nfs/dbraw/zinc/68/05/09/739680509.db2.gz GGVWJQNUSKPRRC-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065576960 739772744 /nfs/dbraw/zinc/77/27/44/739772744.db2.gz YXPUATXLRGCWIQ-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001065613837 739801728 /nfs/dbraw/zinc/80/17/28/739801728.db2.gz DPBCJQWNKZSHQH-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1)[C@H]1C[NH+]2CCC1CC2 ZINC001069928366 740621605 /nfs/dbraw/zinc/62/16/05/740621605.db2.gz BRFFWKVVNYFRGN-XHSDSOJGSA-N 2 0 348.451 -0.656 20 0 EBADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1 ZINC001070312244 740784081 /nfs/dbraw/zinc/78/40/81/740784081.db2.gz GOVPPQDAQCQERN-MJBXVCDLSA-N 2 0 334.424 -0.904 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2[NH2+]CCO)c1 ZINC001070508526 740852186 /nfs/dbraw/zinc/85/21/86/740852186.db2.gz IPMMLTSCFAMTPL-GOEBONIOSA-N 2 0 347.463 -0.075 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001070754861 740938059 /nfs/dbraw/zinc/93/80/59/740938059.db2.gz WYBDSDIDKAQIGY-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1C ZINC001072433702 741399378 /nfs/dbraw/zinc/39/93/78/741399378.db2.gz ZSDDAWDBVRNCEZ-LSDHHAIUSA-N 2 0 342.484 -0.132 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCN1C(=O)CCC1=O)C2 ZINC001072544689 741426961 /nfs/dbraw/zinc/42/69/61/741426961.db2.gz UMCPZEGSCGWYAL-CQSZACIVSA-N 2 0 348.447 -0.236 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@H](NC(=O)COCC[NH+](C)C)[C@@H](C)C1 ZINC001072742982 741469925 /nfs/dbraw/zinc/46/99/25/741469925.db2.gz YAMOSFVPIRQQFP-GJZGRUSLSA-N 2 0 342.484 -0.131 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC2(C1)CC[N@@H+](C[C@@H](O)Cn1cccn1)C2 ZINC001073431454 741613088 /nfs/dbraw/zinc/61/30/88/741613088.db2.gz YKZJOOPYQGZJJL-MRXNPFEDSA-N 2 0 347.463 -0.126 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NC[C@H]2C[N@H+](CCO)CCCO2)cn1 ZINC001073815477 741749174 /nfs/dbraw/zinc/74/91/74/741749174.db2.gz BOSDBYVMXPJSMJ-HNNXBMFYSA-N 2 0 339.440 -0.742 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001074655209 742048106 /nfs/dbraw/zinc/04/81/06/742048106.db2.gz XGWMZSSNEQETOG-IMJJTQAJSA-N 2 0 349.479 -0.068 20 0 EBADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C[NH2+]Cc1nnnn1C ZINC001075364348 742217688 /nfs/dbraw/zinc/21/76/88/742217688.db2.gz ICTVFQPNHUUJAP-KBPBESRZSA-N 2 0 335.456 -0.120 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001076571431 742500151 /nfs/dbraw/zinc/50/01/51/742500151.db2.gz JTEIFYXBLGVXCK-UONOGXRCSA-N 2 0 349.435 -0.833 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001076571256 742500286 /nfs/dbraw/zinc/50/02/86/742500286.db2.gz AYBHVYOUSQPILQ-YESZJQIVSA-N 2 0 347.463 -0.128 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)NC(=O)COCC[NH+](C)C ZINC001076924190 742647128 /nfs/dbraw/zinc/64/71/28/742647128.db2.gz CMYVWAYQBIPDAM-AWEZNQCLSA-N 2 0 330.473 -0.084 20 0 EBADRP O=C(N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001077002640 742689933 /nfs/dbraw/zinc/68/99/33/742689933.db2.gz AJFFYOMJPZUWES-BRWVUGGUSA-N 2 0 337.464 -0.084 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@H]2O)CC[N@@H+]1C ZINC001077023794 742699987 /nfs/dbraw/zinc/69/99/87/742699987.db2.gz SYNVHDKCOCXZCB-DTZQCDIJSA-N 2 0 335.452 -0.536 20 0 EBADRP O=C(N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077418745 742964113 /nfs/dbraw/zinc/96/41/13/742964113.db2.gz ZASTUPWGTAELAJ-DSZOFWSKSA-N 2 0 335.448 -0.189 20 0 EBADRP C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001077495906 743019936 /nfs/dbraw/zinc/01/99/36/743019936.db2.gz VYKHBRYXHMAQHT-CABCVRRESA-N 2 0 342.484 -0.083 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CCNC(=O)COCC[NH+](C)C ZINC001077495886 743020778 /nfs/dbraw/zinc/02/07/78/743020778.db2.gz VIRPYHQHTFOYRU-AWEZNQCLSA-N 2 0 330.473 -0.084 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@H]2O)C1 ZINC001078174820 743515118 /nfs/dbraw/zinc/51/51/18/743515118.db2.gz UCPGIOQEUGHBPO-BZUAXINKSA-N 2 0 325.453 -0.084 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[C@H](C)NC(=O)COCC[NH+](C)C ZINC001078395546 743628378 /nfs/dbraw/zinc/62/83/78/743628378.db2.gz HXWUKYUPNJEGQI-AWEZNQCLSA-N 2 0 330.473 -0.083 20 0 EBADRP C[N@H+](CC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1)C1CCC1 ZINC001078412361 743637431 /nfs/dbraw/zinc/63/74/31/743637431.db2.gz YRSYVWYEPTUYCP-GJZGRUSLSA-N 2 0 338.452 -0.434 20 0 EBADRP O=C(N1CCCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001078499457 743680844 /nfs/dbraw/zinc/68/08/44/743680844.db2.gz YZWUMMJXLGHZJZ-ZIAGYGMSSA-N 2 0 336.436 -0.822 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCCO[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001078508858 743685295 /nfs/dbraw/zinc/68/52/95/743685295.db2.gz ZNEKHEXAXKIQCW-HUUCEWRRSA-N 2 0 338.452 -0.432 20 0 EBADRP C[C@@H]1C[C@H](C[NH2+]Cc2nnnn2C)CN1C(=O)C1CC[NH+](C)CC1 ZINC000980693642 805992046 /nfs/dbraw/zinc/99/20/46/805992046.db2.gz VHOZEYZGPQBSOK-CHWSQXEVSA-N 2 0 335.456 -0.122 20 0 EBADRP C[C@H]1C[C@@H](C[NH2+]Cc2nnnn2C)CN1C(=O)C1CC[NH+](C)CC1 ZINC000980693645 805992394 /nfs/dbraw/zinc/99/23/94/805992394.db2.gz VHOZEYZGPQBSOK-STQMWFEESA-N 2 0 335.456 -0.122 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CCC[NH+]([C@H]2CCC(=O)NC2=O)C3)C1 ZINC000982148677 806412307 /nfs/dbraw/zinc/41/23/07/806412307.db2.gz RIINYSIZKYGXGA-KBPBESRZSA-N 2 0 348.447 -0.332 20 0 EBADRP Cn1cncc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]21 ZINC000976862884 803914670 /nfs/dbraw/zinc/91/46/70/803914670.db2.gz STKVBGUAICTTPO-KNCOVGOOSA-N 2 0 331.420 -0.370 20 0 EBADRP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000976869936 803924430 /nfs/dbraw/zinc/92/44/30/803924430.db2.gz SPOUWYYRYVKYDE-NPCUJANDSA-N 2 0 334.464 -0.147 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)C1 ZINC000977206062 804220454 /nfs/dbraw/zinc/22/04/54/804220454.db2.gz ZXONWXKEJYJZNO-LJIGWXMPSA-N 2 0 346.475 -0.003 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC(=O)N3CCCC3)C[C@H]21 ZINC000977919300 804564983 /nfs/dbraw/zinc/56/49/83/804564983.db2.gz KBAIFXDFNJKSPT-JONQDZQNSA-N 2 0 334.464 -0.003 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC000978346018 804801859 /nfs/dbraw/zinc/80/18/59/804801859.db2.gz HPEPITUXVXCYJV-LVQVYYBASA-N 2 0 349.479 -0.210 20 0 EBADRP CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3occc3C[NH+](C)C)[C@@H]2C1 ZINC000978640520 804899116 /nfs/dbraw/zinc/89/91/16/804899116.db2.gz LUYGBZSDFJSXEP-ZSOGYDGISA-N 2 0 334.420 -0.005 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)CC1 ZINC000978661093 804910122 /nfs/dbraw/zinc/91/01/22/804910122.db2.gz ARGNFPSFHFUTPI-PHZGNYQRSA-N 2 0 334.464 -0.099 20 0 EBADRP O=C(C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)N1CCC1 ZINC000978967305 805066021 /nfs/dbraw/zinc/06/60/21/805066021.db2.gz ZBKJCWFWQRVPBA-QKDCVEJESA-N 2 0 332.448 -0.392 20 0 EBADRP C[C@H](C(N)=O)[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC000978978069 805069668 /nfs/dbraw/zinc/06/96/68/805069668.db2.gz UGYFMCLFZGNUKM-OXHZDVMGSA-N 2 0 331.420 -0.071 20 0 EBADRP Cn1cnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000983714886 807086628 /nfs/dbraw/zinc/08/66/28/807086628.db2.gz BUNUPYGNLMCFHU-KBUPBQIOSA-N 2 0 348.451 -0.337 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC000984802917 807390921 /nfs/dbraw/zinc/39/09/21/807390921.db2.gz FSXVYXPSSHYEIC-JHJVBQTASA-N 2 0 336.440 -0.565 20 0 EBADRP O=C(N[C@@H]1C[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC000985040418 807430652 /nfs/dbraw/zinc/43/06/52/807430652.db2.gz OHBOZUGIDWJBST-AVGNSLFASA-N 2 0 334.420 -0.628 20 0 EBADRP C[N@H+](C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)[C@H]1CCC(=O)NC1=O ZINC000985333547 807487771 /nfs/dbraw/zinc/48/77/71/807487771.db2.gz HLPVNTLXEXMUKY-UONOGXRCSA-N 2 0 336.436 -0.191 20 0 EBADRP O=C(N1CCC[N@@H+](C[C@H](O)Cn2cccn2)CC1)C12CC[NH+](CC1)C2 ZINC000989492406 808487912 /nfs/dbraw/zinc/48/79/12/808487912.db2.gz LOOLPIZKRNZJFQ-INIZCTEOSA-N 2 0 347.463 -0.126 20 0 EBADRP O=C(N1CCC[N@@H+](C[C@@H](O)Cn2cccn2)CC1)C12CC[NH+](CC1)C2 ZINC000989492411 808488200 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QRSGUUPSDXNANT-JHJVBQTASA-N 2 0 339.440 -0.637 20 0 EBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215536123 810335388 /nfs/dbraw/zinc/33/53/88/810335388.db2.gz JEAPHGBSLCKWBT-IJLUTSLNSA-N 2 0 325.413 -0.898 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001215989473 810353616 /nfs/dbraw/zinc/35/36/16/810353616.db2.gz DBAYZBTVPRTSOF-GRYCIOLGSA-N 2 0 327.429 -0.652 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001216226283 810364387 /nfs/dbraw/zinc/36/43/87/810364387.db2.gz RKJXENFBALMSEX-ZIAGYGMSSA-N 2 0 325.457 -0.210 20 0 EBADRP COCCOCC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216401636 810371206 /nfs/dbraw/zinc/37/12/06/810371206.db2.gz OIAJNOQDUCPFNP-HUUCEWRRSA-N 2 0 331.457 -0.336 20 0 EBADRP CCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216401868 810371696 /nfs/dbraw/zinc/37/16/96/810371696.db2.gz PWPCKXCDEMFDPD-HUUCEWRRSA-N 2 0 342.484 -0.083 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001216503312 810375302 /nfs/dbraw/zinc/37/53/02/810375302.db2.gz OGJDIYHKKMNWDF-VXGBXAGGSA-N 2 0 327.429 -0.780 20 0 EBADRP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3COC4(C[NH2+]C4)CN3)nc2)CC1 ZINC001218515652 810497151 /nfs/dbraw/zinc/49/71/51/810497151.db2.gz JVQPJGTWSQSXAC-CQSZACIVSA-N 2 0 346.435 -0.898 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218533315 810499634 /nfs/dbraw/zinc/49/96/34/810499634.db2.gz OBDWKFBAOWQEKS-QMMMGPOBSA-N 2 0 347.466 -0.882 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218533766 810500258 /nfs/dbraw/zinc/50/02/58/810500258.db2.gz OTVPCHWSPDYNJM-MNOVXSKESA-N 3 0 338.481 -0.352 20 0 EBADRP CN1CCN(c2cc(NC(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)ncn2)CC1 ZINC001218572263 810505360 /nfs/dbraw/zinc/50/53/60/810505360.db2.gz HLCJMDBMWBJWQV-CXAGYDPISA-N 2 0 345.451 -0.634 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1cccnc1OC1COC1 ZINC001218620320 810512526 /nfs/dbraw/zinc/51/25/26/810512526.db2.gz KKDAVKBHZJKBCB-ZDUSSCGKSA-N 2 0 335.408 -0.452 20 0 EBADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218724323 810523728 /nfs/dbraw/zinc/52/37/28/810523728.db2.gz HQIZDXMVRHORRU-QWRGUYRKSA-N 2 0 334.424 -0.201 20 0 EBADRP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218730915 810525098 /nfs/dbraw/zinc/52/50/98/810525098.db2.gz GNENCFAVBLYMNX-MCIONIFRSA-N 2 0 334.376 -0.088 20 0 EBADRP CCc1cc2ncc(NC(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)cn2n1 ZINC001218735244 810525584 /nfs/dbraw/zinc/52/55/84/810525584.db2.gz BUSFJNLIKAIPCO-AWEZNQCLSA-N 2 0 331.424 -0.019 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218730493 810525617 /nfs/dbraw/zinc/52/56/17/810525617.db2.gz BUBKWWRDPOKIHM-HUUCEWRRSA-N 3 0 348.451 -0.489 20 0 EBADRP COC(=O)c1c[nH]c2ncnc(NC(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)c12 ZINC001218772163 810531167 /nfs/dbraw/zinc/53/11/67/810531167.db2.gz JUVIBJHGZJOFNQ-VIFPVBQESA-N 2 0 330.348 -0.508 20 0 EBADRP CNS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c1 ZINC001218901963 810543417 /nfs/dbraw/zinc/54/34/17/810543417.db2.gz RNIUHCLHCBDCOR-JTQLQIEISA-N 2 0 340.405 -0.952 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc2c(c1)CCNC2=O ZINC001218935941 810547930 /nfs/dbraw/zinc/54/79/30/810547930.db2.gz MYJPQATUIBSDHP-OAHLLOKOSA-N 2 0 331.420 -0.339 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC001219029914 810557897 /nfs/dbraw/zinc/55/78/97/810557897.db2.gz SWROJCMMGHPSDL-OAHLLOKOSA-N 3 0 333.436 -0.143 20 0 EBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001219116869 810588015 /nfs/dbraw/zinc/58/80/15/810588015.db2.gz TUYLMPOCCSPNSA-CQSZACIVSA-N 2 0 334.424 -0.190 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@@H]1C[NH2+]CCN1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219503115 810724797 /nfs/dbraw/zinc/72/47/97/810724797.db2.gz BCQKAMQQPQVBGY-SUMWQHHRSA-N 2 0 345.403 -0.622 20 0 EBADRP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219538252 810741765 /nfs/dbraw/zinc/74/17/65/810741765.db2.gz WRZGEURSUPMYSW-QKCSRTOESA-N 2 0 330.388 -0.597 20 0 EBADRP CC[NH+](CC)CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219555889 810749396 /nfs/dbraw/zinc/74/93/96/810749396.db2.gz XBRBPONWBJMNER-GJZGRUSLSA-N 3 0 341.500 -0.108 20 0 EBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001219616764 810771578 /nfs/dbraw/zinc/77/15/78/810771578.db2.gz CLCNRRSOFDLKEQ-DARAHFNDSA-N 2 0 329.416 -0.286 20 0 EBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1 ZINC001219637281 810782128 /nfs/dbraw/zinc/78/21/28/810782128.db2.gz BHWCQNYKJDLSJQ-MJVIPROJSA-N 2 0 348.382 -0.180 20 0 EBADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)c1cccnc1N1CC[NH2+]CC1 ZINC001219739033 810816817 /nfs/dbraw/zinc/81/68/17/810816817.db2.gz FVEJWXYVZDRPLG-CYBMUJFWSA-N 2 0 331.420 -0.401 20 0 EBADRP NC(=O)NCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741881 810819349 /nfs/dbraw/zinc/81/93/49/810819349.db2.gz WXSFBKXYOJYOCQ-RYUDHWBXSA-N 2 0 327.429 -0.820 20 0 EBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743953 810820074 /nfs/dbraw/zinc/82/00/74/810820074.db2.gz PWWFMGSKVWHPNT-GUTXKFCHSA-N 2 0 340.468 -0.107 20 0 EBADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@@H]1CCC[NH+](C2CC[NH2+]CC2)C1 ZINC001219764451 810831794 /nfs/dbraw/zinc/83/17/94/810831794.db2.gz GBKFKZNDKLVZGB-NUJGCVRESA-N 3 0 349.523 -0.140 20 0 EBADRP O=C(NC[C@@]1(F)CCC[NH2+]C1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001219767622 810832807 /nfs/dbraw/zinc/83/28/07/810832807.db2.gz AEFXFXPTGQNZIG-HEHGZKQESA-N 2 0 326.416 -0.063 20 0 EBADRP O=C(C[C@H]1C[NH2+]CC1(F)F)NCc1cc(=O)n2c(n1)CNCCC2 ZINC001219808194 810854724 /nfs/dbraw/zinc/85/47/24/810854724.db2.gz XAWUFWANEGGUDO-JTQLQIEISA-N 2 0 341.362 -0.402 20 0 EBADRP CC(C)N(C)C(=O)CN1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219812201 810855342 /nfs/dbraw/zinc/85/53/42/810855342.db2.gz RNZHDGHLAVHBRW-CABCVRRESA-N 2 0 340.468 -0.501 20 0 EBADRP Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830246 810864655 /nfs/dbraw/zinc/86/46/55/810864655.db2.gz SRZCUXYBCMVQMR-UAGQMJEPSA-N 2 0 349.479 -0.002 20 0 EBADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219831316 810865824 /nfs/dbraw/zinc/86/58/24/810865824.db2.gz GEAMXCMFWPJSKS-SYQHCUMBSA-N 2 0 346.435 -0.978 20 0 EBADRP COCCOCC[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830331 810866188 /nfs/dbraw/zinc/86/61/88/810866188.db2.gz VVDLMBJWCXOBCZ-OAGGEKHMSA-N 2 0 343.468 -0.315 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O ZINC001219830092 810866343 /nfs/dbraw/zinc/86/63/43/810866343.db2.gz NALINULVYIMSRC-ZNMIVQPWSA-N 2 0 329.441 -0.969 20 0 EBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1CCSC12C[NH2+]C2 ZINC001219833734 810868633 /nfs/dbraw/zinc/86/86/33/810868633.db2.gz IFFJWVRHPFXLTR-IPYPFGDCSA-N 2 0 341.477 -0.407 20 0 EBADRP [NH3+][C@H](C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)C1CCOCC1 ZINC001219837238 810871333 /nfs/dbraw/zinc/87/13/33/810871333.db2.gz IFFCKOIDQOIXTI-IVMMDQJWSA-N 2 0 327.425 -0.748 20 0 EBADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1cncc2c1CC[NH2+]C2 ZINC001219843811 810874587 /nfs/dbraw/zinc/87/45/87/810874587.db2.gz DBZARZURXZEDGL-FZKQIMNGSA-N 2 0 346.431 -0.148 20 0 EBADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1n[nH]c2c1CC[NH2+]C2 ZINC001219843698 810875118 /nfs/dbraw/zinc/87/51/18/810875118.db2.gz BIUHUYBSHZWLBO-BDJLRTHQSA-N 2 0 335.408 -0.820 20 0 EBADRP O=C(C[C@H]1CN(Cc2ccccc2)CC[NH2+]1)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854470 810880468 /nfs/dbraw/zinc/88/04/68/810880468.db2.gz JKHWMQPYAYJIAG-XWTMOSNGSA-N 2 0 344.459 -0.047 20 0 EBADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)c1ccc2c(c1)[C@H]1C[NH2+]C[C@@H]1NC2=O ZINC001219856347 810880607 /nfs/dbraw/zinc/88/06/07/810880607.db2.gz JBOFYWOJWOSKOT-RBGFHDKUSA-N 2 0 342.399 -0.798 20 0 EBADRP O=C(C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854471 810881168 /nfs/dbraw/zinc/88/11/68/810881168.db2.gz JKHWMQPYAYJIAG-ZJPYXAASSA-N 2 0 344.459 -0.047 20 0 EBADRP [NH3+][C@@H](CC(=O)OC1CCCCC1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854304 810881212 /nfs/dbraw/zinc/88/12/12/810881212.db2.gz HIHXRHWJWASNGN-ZOBORPQBSA-N 2 0 325.409 -0.317 20 0 EBADRP COC(=O)[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1ccc(O)cc1 ZINC001219885176 810894984 /nfs/dbraw/zinc/89/49/84/810894984.db2.gz JRXPVDJLHOAHPN-NWDGAFQWSA-N 2 0 327.406 -0.258 20 0 EBADRP C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219916271 810906965 /nfs/dbraw/zinc/90/69/65/810906965.db2.gz PPHOMWZUYFVYTK-RDBSUJKOSA-N 3 0 327.473 -0.500 20 0 EBADRP CS(=O)(=O)N(C(=O)C[C@@H]1COCC[NH2+]1)c1ccc(C[NH3+])cc1 ZINC001219938949 810917291 /nfs/dbraw/zinc/91/72/91/810917291.db2.gz KZUDRFNVQALOKT-GFCCVEGCSA-N 2 0 327.406 -0.184 20 0 EBADRP COC(=O)[C@@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1ccc(OC)cc1 ZINC001219975366 810933088 /nfs/dbraw/zinc/93/30/88/810933088.db2.gz RFUVDQKBZFIJIT-KBPBESRZSA-N 2 0 333.388 -0.166 20 0 EBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001220022226 810951378 /nfs/dbraw/zinc/95/13/78/810951378.db2.gz CHLKFRQLWDOTEE-PSLXWICFSA-N 2 0 339.461 -0.161 20 0 EBADRP [NH3+]CC1(N(Cc2ccccc2)C(=O)[C@@]23C[NH2+]C[C@H]2CCN3)COC1 ZINC001220020717 810951721 /nfs/dbraw/zinc/95/17/21/810951721.db2.gz SKOFNCUCVPFXMW-CRAIPNDOSA-N 2 0 330.432 -0.306 20 0 EBADRP CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034253 810955995 /nfs/dbraw/zinc/95/59/95/810955995.db2.gz PMVFIBCSPXDQON-CLPSQLOGSA-N 2 0 339.436 -0.953 20 0 EBADRP CCOC(=O)C(=CNC(=O)[C@H](CCCC[NH3+])[NH2+]C)C(=O)OCC ZINC001220041786 810958255 /nfs/dbraw/zinc/95/82/55/810958255.db2.gz ZMDIWAKHZLYOQL-LBPRGKRZSA-N 2 0 329.397 -0.170 20 0 EBADRP N=c1cc(C[NH3+])ccn1C(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220045070 810958419 /nfs/dbraw/zinc/95/84/19/810958419.db2.gz KUPMRLZJQOLSIV-GFCCVEGCSA-N 2 0 338.433 -0.519 20 0 EBADRP CCOC(=O)C(=CNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)C(=O)OCC ZINC001220041790 810958511 /nfs/dbraw/zinc/95/85/11/810958511.db2.gz ZUPRPRKGRZYSTO-BDJLRTHQSA-N 2 0 339.392 -0.688 20 0 EBADRP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)[C@H]2C[NH2+]C[C@H]2O)c1 ZINC001220120838 810989740 /nfs/dbraw/zinc/98/97/40/810989740.db2.gz RHFVJGCXNCDUFH-WCQYABFASA-N 2 0 334.376 -0.022 20 0 EBADRP COC(=O)[C@@]1(NC(=O)[C@]2(N)CC[NH2+]C2)CC[N@H+](Cc2ccccc2)C1 ZINC001220228613 811025463 /nfs/dbraw/zinc/02/54/63/811025463.db2.gz RFVYIXYTCZTDOD-ZWKOTPCHSA-N 2 0 346.431 -0.389 20 0 EBADRP COC(=O)[C@]1(NC(=O)[C@]2(N)CC[NH2+]C2)CC[N@H+](Cc2ccccc2)C1 ZINC001220228612 811026799 /nfs/dbraw/zinc/02/67/99/811026799.db2.gz RFVYIXYTCZTDOD-ROUUACIJSA-N 2 0 346.431 -0.389 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@@H]2O)CC1 ZINC001220230881 811027575 /nfs/dbraw/zinc/02/75/75/811027575.db2.gz SBQQYUPGXBPOFZ-MCIONIFRSA-N 2 0 348.451 -0.732 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001220233794 811029658 /nfs/dbraw/zinc/02/96/58/811029658.db2.gz HEYUYJGRFBZCGR-CABCVRRESA-N 2 0 340.468 -0.498 20 0 EBADRP O=C(NCCc1nc(-c2ccccc2)n[nH]1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220243717 811033045 /nfs/dbraw/zinc/03/30/45/811033045.db2.gz WXQYGPHUKOONPN-CYBMUJFWSA-N 2 0 326.404 -0.061 20 0 EBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NCC[C@@H]2CCC[N@@H+]2C)COC1(C)C ZINC001220254009 811036976 /nfs/dbraw/zinc/03/69/76/811036976.db2.gz JBDODOLTHQJUTC-AVGNSLFASA-N 2 0 326.441 -0.102 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@@H]1O ZINC001220276486 811043300 /nfs/dbraw/zinc/04/33/00/811043300.db2.gz CCFRPMDZHQPIDI-CABCVRRESA-N 2 0 338.456 -0.439 20 0 EBADRP O=C(N[C@H]1CC[NH2+]C1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001220283608 811045764 /nfs/dbraw/zinc/04/57/64/811045764.db2.gz ZALLUDYWHOUVNQ-JYJNAYRXSA-N 2 0 330.432 -0.056 20 0 EBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NCCN1CCC[N@H+](C)CC1 ZINC001220306736 811051104 /nfs/dbraw/zinc/05/11/04/811051104.db2.gz NZMITKMWEBPILY-AWEZNQCLSA-N 2 0 327.473 -0.770 20 0 EBADRP O=C(NCc1ncn2c1C[NH2+]CCC2)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220311897 811051841 /nfs/dbraw/zinc/05/18/41/811051841.db2.gz SPWBYCSRNIOTCA-ZDUSSCGKSA-N 3 0 332.452 -0.133 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220321747 811056677 /nfs/dbraw/zinc/05/66/77/811056677.db2.gz YEVIJJJVGLLMFA-BRXULGCHSA-N 2 0 325.409 -0.588 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220321748 811056985 /nfs/dbraw/zinc/05/69/85/811056985.db2.gz YEVIJJJVGLLMFA-JXFSHQFZSA-N 2 0 325.409 -0.588 20 0 EBADRP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])CSCC[NH3+])CC[NH+](C)CC1 ZINC001220345826 811063086 /nfs/dbraw/zinc/06/30/86/811063086.db2.gz PVMNUBMUOGQBLV-NSHDSACASA-N 3 0 332.470 -0.851 20 0 EBADRP [NH3+][C@@H](Cc1nnn[n-]1)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001220428965 811103915 /nfs/dbraw/zinc/10/39/15/811103915.db2.gz IOLDZFDPMWMLPV-SFDCQRBFSA-N 2 0 327.392 -0.684 20 0 EBADRP O=C(C[C@H]1CN(Cc2ccccc2)CC[NH2+]1)NC[C@@H]1COCC[NH2+]1 ZINC001220429459 811104232 /nfs/dbraw/zinc/10/42/32/811104232.db2.gz RYALQXDDADOCBS-DLBZAZTESA-N 2 0 332.448 -0.045 20 0 EBADRP O=C(NC[C@H]1COCC[NH2+]1)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1 ZINC001220432158 811105965 /nfs/dbraw/zinc/10/59/65/811105965.db2.gz ZFAYPUHZEMMXTJ-FZMZJTMJSA-N 2 0 346.391 -0.892 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1 ZINC001220432159 811105976 /nfs/dbraw/zinc/10/59/76/811105976.db2.gz ZFAYPUHZEMMXTJ-RISCZKNCSA-N 2 0 346.391 -0.892 20 0 EBADRP [NH3+]C1CCN(C(=O)c2ccc(C(=O)NC[C@H]3COCC[NH2+]3)cc2)CC1 ZINC001220431499 811106092 /nfs/dbraw/zinc/10/60/92/811106092.db2.gz ICLZPKGNKJANRF-INIZCTEOSA-N 2 0 346.431 -0.032 20 0 EBADRP NC(=[NH2+])N(C(=O)[C@@H]1C[C@H]([NH3+])CN1)c1ccc(N2CCOCC2)cc1 ZINC001220460318 811116847 /nfs/dbraw/zinc/11/68/47/811116847.db2.gz HYXVPLORTHCLHX-FZMZJTMJSA-N 2 0 332.408 -0.561 20 0 EBADRP NC(=[NH2+])N(C(=O)[C@]1(N)CCC[NH2+]C1)c1ccc(N2CCOCC2)cc1 ZINC001220460253 811117094 /nfs/dbraw/zinc/11/70/94/811117094.db2.gz GDAGLAHMJGRBME-KRWDZBQOSA-N 2 0 346.435 -0.169 20 0 EBADRP NC(=[NH2+])N(C(=O)[C@H]1C[NH2+]C[C@H]1O)c1ccc(N2CCOCC2)cc1 ZINC001220460205 811117104 /nfs/dbraw/zinc/11/71/04/811117104.db2.gz DUZDWAKIMASLON-UONOGXRCSA-N 2 0 333.392 -0.670 20 0 EBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]([NH3+])C2CCC(O)CC2)O1 ZINC001220481329 811121781 /nfs/dbraw/zinc/12/17/81/811121781.db2.gz DFJCBIPYPOWIBF-ZXHDQNKRSA-N 2 0 329.441 -0.294 20 0 EBADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)O1 ZINC001220481349 811121816 /nfs/dbraw/zinc/12/18/16/811121816.db2.gz DRJPCLGEUWSJCQ-AQDIXCGQSA-N 3 0 326.441 -0.974 20 0 EBADRP CN(CC[NH3+])CCNC(=O)c1ccc2ccc(N3CC[NH2+]CC3)n2c1 ZINC001220517319 811134195 /nfs/dbraw/zinc/13/41/95/811134195.db2.gz GTCXXBVMTQRBTL-UHFFFAOYSA-N 2 0 344.463 -0.031 20 0 EBADRP [NH3+]CCOCCOCCNC(=O)C1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001220519655 811135940 /nfs/dbraw/zinc/13/59/40/811135940.db2.gz WSTYFBDLCLZFBP-HNNXBMFYSA-N 2 0 328.457 -0.832 20 0 EBADRP [NH3+]CCOCCOCCNC(=O)c1cccnc1O[C@@H]1CC[NH2+]C1 ZINC001220521999 811137125 /nfs/dbraw/zinc/13/71/25/811137125.db2.gz WWZGXNNWGDJFMD-CYBMUJFWSA-N 2 0 338.408 -0.456 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC[NH2+]C1 ZINC001220521917 811137297 /nfs/dbraw/zinc/13/72/97/811137297.db2.gz TZZQTNAENBRWDQ-CQSZACIVSA-N 3 0 336.436 -0.213 20 0 EBADRP CCOC(=O)[C@H](Cc1ccccn1)NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220567806 811157873 /nfs/dbraw/zinc/15/78/73/811157873.db2.gz MUYCZOCSRRDVSM-STQMWFEESA-N 2 0 340.449 -0.309 20 0 EBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001220583059 811165955 /nfs/dbraw/zinc/16/59/55/811165955.db2.gz CCUFOYOUXHGECZ-CZUORRHYSA-N 2 0 327.425 -0.114 20 0 EBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220654221 811191522 /nfs/dbraw/zinc/19/15/22/811191522.db2.gz JMMPIZBKRKXUQW-HNNXBMFYSA-N 2 0 345.447 -0.419 20 0 EBADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001220679230 811199023 /nfs/dbraw/zinc/19/90/23/811199023.db2.gz WLRYDHDKSPADNY-DGAVXFQQSA-N 2 0 345.451 -0.287 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@@H]1O ZINC001220768543 811233964 /nfs/dbraw/zinc/23/39/64/811233964.db2.gz QMZQXOABFYLKCC-OAGGEKHMSA-N 2 0 343.468 -0.315 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001220768450 811234827 /nfs/dbraw/zinc/23/48/27/811234827.db2.gz MFCRPXHDKUMTLS-ZNMIVQPWSA-N 2 0 329.441 -0.705 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1O ZINC001220768407 811234862 /nfs/dbraw/zinc/23/48/62/811234862.db2.gz KDQHOBAWTWFOJH-OLZOCXBDSA-N 2 0 335.395 -0.229 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@@H]1O ZINC001220768544 811234947 /nfs/dbraw/zinc/23/49/47/811234947.db2.gz QMZQXOABFYLKCC-XHSDSOJGSA-N 2 0 343.468 -0.315 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O ZINC001220768593 811235040 /nfs/dbraw/zinc/23/50/40/811235040.db2.gz SYQBMBOVFXLXAG-CVEARBPZSA-N 2 0 343.468 -0.457 20 0 EBADRP CCOC(=O)C1=C(NC(=O)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C[NH2+]C1 ZINC001220830209 811258646 /nfs/dbraw/zinc/25/86/46/811258646.db2.gz RNMYFVTZFBVXKL-HOCLYGCPSA-N 2 0 347.415 -0.156 20 0 EBADRP CCOC(=O)C1(NC(=O)C[C@@H]([NH3+])COCc2ccccc2)C[NH2+]C1 ZINC001220851434 811266968 /nfs/dbraw/zinc/26/69/68/811266968.db2.gz WAFSOIRNDJVBKZ-CQSZACIVSA-N 2 0 335.404 -0.058 20 0 EBADRP O=C(N[C@@H]1CCC[NH2+]C1)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1 ZINC001220898476 811287340 /nfs/dbraw/zinc/28/73/40/811287340.db2.gz LEIRTFYHVCUNGQ-BXUZGUMPSA-N 2 0 330.392 -0.128 20 0 EBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220930718 811297610 /nfs/dbraw/zinc/29/76/10/811297610.db2.gz UDDAIBSGZKPCEZ-YDHLFZDLSA-N 2 0 340.468 -0.027 20 0 EBADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001220936563 811300600 /nfs/dbraw/zinc/30/06/00/811300600.db2.gz HFSATOHYRWJYGE-UVBSCNOISA-N 2 0 344.415 -0.409 20 0 EBADRP [NH3+][C@H]1CN[C@H](C(=O)N2CCC([NH3+])(C(=O)NCc3ccccc3)CC2)C1 ZINC001220971173 811316755 /nfs/dbraw/zinc/31/67/55/811316755.db2.gz WBTMAMGAAMYGEG-CABCVRRESA-N 2 0 345.447 -0.688 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O ZINC001220986117 811326289 /nfs/dbraw/zinc/32/62/89/811326289.db2.gz SVJWXMYZMVKMRM-IMJJTQAJSA-N 2 0 325.453 -0.084 20 0 EBADRP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994603 811334580 /nfs/dbraw/zinc/33/45/80/811334580.db2.gz YVCXFLXMXRLBMV-OAGGEKHMSA-N 2 0 343.468 -0.579 20 0 EBADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)CNC2CC[NH2+]CC2)CC1 ZINC001221006345 811340154 /nfs/dbraw/zinc/34/01/54/811340154.db2.gz FGRZCEGAKLAUNG-SHTZXODSSA-N 2 0 339.484 -0.567 20 0 EBADRP COCC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001221006225 811341821 /nfs/dbraw/zinc/34/18/21/811341821.db2.gz CMXMRMKJTZWSJP-YDHLFZDLSA-N 2 0 326.441 -0.497 20 0 EBADRP Cc1nnc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])o1 ZINC001221011004 811343794 /nfs/dbraw/zinc/34/37/94/811343794.db2.gz WMKILMPNLSITOG-RYUDHWBXSA-N 2 0 338.412 -0.558 20 0 EBADRP CCC(CC)[C@@H](NC(=O)C1([NH3+])CC1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070414 811362399 /nfs/dbraw/zinc/36/23/99/811362399.db2.gz QQDARERGVROFML-RYMFRWLXSA-N 2 0 341.452 -0.104 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001037118406 811370545 /nfs/dbraw/zinc/37/05/45/811370545.db2.gz ZSLZNEZPPXCQDN-CHWSQXEVSA-N 2 0 333.440 -0.320 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001221089722 811371707 /nfs/dbraw/zinc/37/17/07/811371707.db2.gz OTWSIBIFFWRWHA-KFWWJZLASA-N 2 0 340.468 -0.596 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221123972 811385567 /nfs/dbraw/zinc/38/55/67/811385567.db2.gz QXCBVZAUMOIBBP-MRXNPFEDSA-N 3 0 346.479 -0.473 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001221188307 811410885 /nfs/dbraw/zinc/41/08/85/811410885.db2.gz RTYHKBVKNRHGAG-MJBXVCDLSA-N 2 0 326.441 -0.543 20 0 EBADRP C[N@@H+]1CCC[C@](C)(NC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001221244363 811423985 /nfs/dbraw/zinc/42/39/85/811423985.db2.gz XSQJEQGHUWPXPF-LRDDRELGSA-N 2 0 328.457 -0.155 20 0 EBADRP COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001221257076 811428320 /nfs/dbraw/zinc/42/83/20/811428320.db2.gz WXYKTYZPPRJEKF-RYUDHWBXSA-N 2 0 343.453 -0.970 20 0 EBADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@H]1NC2=O ZINC001221372294 811447975 /nfs/dbraw/zinc/44/79/75/811447975.db2.gz VCZMYBSHFAPHIO-GBJTYRQASA-N 2 0 332.379 -0.085 20 0 EBADRP CC(C)[N@@H+]1CC[C@H](NC(=O)CN(CC[NH3+])S(C)(=O)=O)[C@H](C)C1 ZINC001221409948 811451713 /nfs/dbraw/zinc/45/17/13/811451713.db2.gz VZROIPXFXYZYAU-OLZOCXBDSA-N 2 0 334.486 -0.558 20 0 EBADRP O=C1NCC[C@@]12CN(Cc1nc3c(s1)C[NH2+]CC3)CC21C[NH2+]C1 ZINC001222526840 811638609 /nfs/dbraw/zinc/63/86/09/811638609.db2.gz GNDVOJRNMGSLSZ-MRXNPFEDSA-N 2 0 333.461 -0.300 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001225346761 811803696 /nfs/dbraw/zinc/80/36/96/811803696.db2.gz RFVANYFYLYLYMJ-UPJWGTAASA-N 2 0 339.440 -0.447 20 0 EBADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC)[NH+](C)C ZINC001228661901 811993560 /nfs/dbraw/zinc/99/35/60/811993560.db2.gz ZTSXYTIBCHSGQJ-UPJWGTAASA-N 2 0 341.456 -0.201 20 0 EBADRP COCCOC[C@H](O)C[NH+]1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001230367341 812108740 /nfs/dbraw/zinc/10/87/40/812108740.db2.gz VTKZWIQVONTYGP-MRXNPFEDSA-N 2 0 345.484 -0.069 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC(CO)(NC(=O)CC[NH+](C)C)CC1 ZINC001080988842 812427115 /nfs/dbraw/zinc/42/71/15/812427115.db2.gz FNARYTNDMPAHFK-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)CCC(=O)NC1(CO)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001080989019 812427848 /nfs/dbraw/zinc/42/78/48/812427848.db2.gz LHSFTUWEQUCHOY-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP CC(=O)Nc1nc(CN2CC[NH2+]CCNCC[NH2+]CC2)cs1 ZINC001235871148 812514683 /nfs/dbraw/zinc/51/46/83/812514683.db2.gz QBEMLVRCICCSGK-UHFFFAOYSA-N 2 0 326.470 -0.314 20 0 EBADRP C[C@@H]1CNCC(F)(F)[C@H]1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236308515 812516930 /nfs/dbraw/zinc/51/69/30/812516930.db2.gz GAVJVOOSTXCGAF-OLZOCXBDSA-N 2 0 335.443 -0.407 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])CC1CC2(C1)CC[NH2+]CC2 ZINC001236310107 812516960 /nfs/dbraw/zinc/51/69/60/812516960.db2.gz UWPDZBBIDIKVPI-UHFFFAOYSA-N 3 0 325.501 -0.118 20 0 EBADRP COC(=O)c1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])[nH]1 ZINC001236312123 812517021 /nfs/dbraw/zinc/51/70/21/812517021.db2.gz ODEGERVHVGMOMJ-UHFFFAOYSA-N 2 0 325.413 -0.583 20 0 EBADRP O=C(c1ccc(NS(=O)(=O)[C@@H]2CC[NH2+]C2)cc1)N1CC[NH2+]CC1 ZINC001237630612 812522565 /nfs/dbraw/zinc/52/25/65/812522565.db2.gz SCOBKLYQKPJTIT-CQSZACIVSA-N 2 0 338.433 -0.164 20 0 EBADRP C[NH+]1CCN(Cc2ccccc2CNS(=O)(=O)CC[NH3+])CC1 ZINC001238397146 812528439 /nfs/dbraw/zinc/52/84/39/812528439.db2.gz YEIQUJXFUMMDSD-UHFFFAOYSA-N 2 0 326.466 -0.188 20 0 EBADRP [NH3+]CCS(=O)(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001238801082 812532434 /nfs/dbraw/zinc/53/24/34/812532434.db2.gz MFGIEMPXUHXYFE-UHFFFAOYSA-N 2 0 332.470 -0.659 20 0 EBADRP COC(=O)c1ccc([C@H]([NH3+])CNS(=O)(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC001238919184 812535891 /nfs/dbraw/zinc/53/58/91/812535891.db2.gz JAQVEWALRFDAAL-CHWSQXEVSA-N 2 0 327.406 -0.246 20 0 EBADRP CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N(CC[NH3+])CC[NH3+] ZINC001239096196 812544445 /nfs/dbraw/zinc/54/44/45/812544445.db2.gz FCEAWKLDJLKSDT-UHFFFAOYSA-N 2 0 344.437 -0.048 20 0 EBADRP CCOC(=O)[C@H]1CN(S(=O)(=O)[C@@H]2CC[NH2+]C2)CCC12C[NH2+]C2 ZINC001239181020 812549285 /nfs/dbraw/zinc/54/92/85/812549285.db2.gz LTQVABKUXXAZKK-VXGBXAGGSA-N 2 0 331.438 -0.847 20 0 EBADRP c1cc(-c2cnc(N3CC[NH2+]CC3)nc2)nc(N2CC[NH2+]CC2)n1 ZINC001241894955 812553319 /nfs/dbraw/zinc/55/33/19/812553319.db2.gz QHCSTHNDVGNCBT-UHFFFAOYSA-N 2 0 326.408 -0.247 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]CCN1CC[NH2+]CC1 ZINC001245978775 812557330 /nfs/dbraw/zinc/55/73/30/812557330.db2.gz FNMBBKATAXGGSC-JKSUJKDBSA-N 3 0 328.407 -0.310 20 0 EBADRP O[C@H](C[NH2+]C1CCN(C2CC[NH2+]CC2)CC1)CC1(O)CC[NH2+]CC1 ZINC001245986671 812558470 /nfs/dbraw/zinc/55/84/70/812558470.db2.gz XAPCQGTXDJJZTG-KRWDZBQOSA-N 3 0 340.512 -0.342 20 0 EBADRP O[C@H](CN[C@H]1CC[NH2+]C[C@H]1C(F)(F)F)CC1(O)CC[NH2+]CC1 ZINC001246000589 812558571 /nfs/dbraw/zinc/55/85/71/812558571.db2.gz QNLIIGPDQWAMHO-TUAOUCFPSA-N 2 0 325.375 -0.018 20 0 EBADRP O[C@@H](C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)O1)CC1(O)CC[NH2+]CC1 ZINC001245988253 812558591 /nfs/dbraw/zinc/55/85/91/812558591.db2.gz UZFXNKSBCXKFGM-HUUCEWRRSA-N 3 0 327.469 -0.257 20 0 EBADRP O[C@H](CN[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)CC1(O)CC[NH2+]CC1 ZINC001246000586 812558732 /nfs/dbraw/zinc/55/87/32/812558732.db2.gz QNLIIGPDQWAMHO-SDDRHHMPSA-N 2 0 325.375 -0.018 20 0 EBADRP O[C@@H](C[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)CC1(O)CC[NH2+]CC1 ZINC001245991011 812558755 /nfs/dbraw/zinc/55/87/55/812558755.db2.gz AXVIEWOPQNORMA-CABCVRRESA-N 3 0 327.469 -0.400 20 0 EBADRP O[C@H](CN1CCOC[C@]2(CCC[NH2+]C2)C1)CC1(O)CC[NH2+]CC1 ZINC001246025544 812559062 /nfs/dbraw/zinc/55/90/62/812559062.db2.gz LAPVZTHXPHLRGH-HOTGVXAUSA-N 2 0 327.469 -0.446 20 0 EBADRP O[C@H](CN1CCOC[C@@]2(CCC[NH2+]C2)C1)CC1(O)CC[NH2+]CC1 ZINC001246025547 812559493 /nfs/dbraw/zinc/55/94/93/812559493.db2.gz LAPVZTHXPHLRGH-JKSUJKDBSA-N 2 0 327.469 -0.446 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]CCN1CCNCC1=O ZINC001246009905 812559914 /nfs/dbraw/zinc/55/99/14/812559914.db2.gz JIZKOFVDEVYPIN-LSDHHAIUSA-N 2 0 342.390 -0.783 20 0 EBADRP COCCCN(C[C@H](O)CC1(O)CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001246046539 812561208 /nfs/dbraw/zinc/56/12/08/812561208.db2.gz ROZPUCOZABYKSR-JKSUJKDBSA-N 2 0 329.485 -0.058 20 0 EBADRP COC(=O)[C@H](N)[C@H]1CCC[N@H+](C[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246057294 812562185 /nfs/dbraw/zinc/56/21/85/812562185.db2.gz YLNIILSIVONLTG-BFHYXJOUSA-N 2 0 329.441 -0.936 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246056738 812562212 /nfs/dbraw/zinc/56/22/12/812562212.db2.gz PIKIIMJXEJDBTH-ZWKOTPCHSA-N 3 0 335.496 -0.998 20 0 EBADRP COC(=O)[C@H](N)[C@H]1CCC[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246057301 812562218 /nfs/dbraw/zinc/56/22/18/812562218.db2.gz YLNIILSIVONLTG-MELADBBJSA-N 2 0 329.441 -0.936 20 0 EBADRP O=C([C@@H]1C[C@H]([NH2+]CCCCN2CC[NH2+]CC2)CN1)N1CCSC1 ZINC001246085666 812564812 /nfs/dbraw/zinc/56/48/12/812564812.db2.gz AJURPJOZIABBCH-GJZGRUSLSA-N 2 0 341.525 -0.475 20 0 EBADRP CC[C@]1(C(=O)OC)C[C@H]([NH2+]C[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)CN1 ZINC001246147221 812567164 /nfs/dbraw/zinc/56/71/64/812567164.db2.gz WIRVYJHECPJCPA-YALNPMBYSA-N 2 0 341.452 -0.345 20 0 EBADRP O=C([C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@]3(CC[NH2+]C3)C2)CN1)N1CCSC1 ZINC001246151138 812567306 /nfs/dbraw/zinc/56/73/06/812567306.db2.gz ZACQACAAUDIXAY-ORIJERBGSA-N 2 0 340.493 -0.250 20 0 EBADRP CC(C)(C)OC(=O)CC[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(N)=O ZINC001246267800 812569234 /nfs/dbraw/zinc/56/92/34/812569234.db2.gz MWRSPPVLLMHPRV-RYUDHWBXSA-N 2 0 326.441 -0.354 20 0 EBADRP NC(=O)[C@H](CC(=O)OCc1ccccc1)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246237532 812569556 /nfs/dbraw/zinc/56/95/56/812569556.db2.gz HOUILLULSHNKET-GJZGRUSLSA-N 2 0 346.431 -0.343 20 0 EBADRP O=C([C@@H]1C[C@@H](N[C@H]2C[C@@H]3COC[C@H](C2)[NH2+]3)C[NH2+]1)N1CCSC1 ZINC001246393359 812572150 /nfs/dbraw/zinc/57/21/50/812572150.db2.gz YIZWDNFXHUDVIK-RGDJUOJXSA-N 2 0 326.466 -0.641 20 0 EBADRP COCCC1(N[C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[NH2+]CC1 ZINC001246390418 812572261 /nfs/dbraw/zinc/57/22/61/812572261.db2.gz LPIUTQVCQNVJPD-KBPBESRZSA-N 2 0 342.509 -0.002 20 0 EBADRP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246675338 812580306 /nfs/dbraw/zinc/58/03/06/812580306.db2.gz WMBGPHYWUFKYTA-NSIVTLKISA-N 3 0 334.464 -0.589 20 0 EBADRP Cn1cc(N2C[C@]3(CC[N@@H+]([C@H]4CCNC5(C[NH2+]C5)C4)C3)CC2=O)cn1 ZINC001246738096 812584757 /nfs/dbraw/zinc/58/47/57/812584757.db2.gz FKYBOLKSGPHGBD-WMLDXEAASA-N 2 0 344.463 -0.057 20 0 EBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C1 ZINC001246799897 812588880 /nfs/dbraw/zinc/58/88/80/812588880.db2.gz UVZXLOJZVQPADJ-VOAKCMCISA-N 2 0 342.465 -0.928 20 0 EBADRP O=C([C@@H]1C[C@@H](N2CC[C@H]3COC[C@@H](C2)[NH2+]3)C[NH2+]1)N1CCSC1 ZINC001246851426 812590037 /nfs/dbraw/zinc/59/00/37/812590037.db2.gz GAKGHWMTNJEYIY-DGAVXFQQSA-N 2 0 326.466 -0.688 20 0 EBADRP CS(=O)(=O)C1CCC(N(CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001246924061 812593005 /nfs/dbraw/zinc/59/30/05/812593005.db2.gz FYXIPFISJQZOAT-UHFFFAOYSA-N 2 0 348.513 -0.542 20 0 EBADRP CCOC(=O)CN(CCC[NH3+])[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246923008 812593050 /nfs/dbraw/zinc/59/30/50/812593050.db2.gz MZTLBAGIVVNBFC-OLZOCXBDSA-N 2 0 344.481 -0.536 20 0 EBADRP COCCN([C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)[C@H]1CC[NH2+]C1 ZINC001246929422 812593342 /nfs/dbraw/zinc/59/33/42/812593342.db2.gz OLSQCWGPCNGXJX-MJBXVCDLSA-N 2 0 328.482 -0.440 20 0 EBADRP COC(=O)[C@H]1CCC[C@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])C1 ZINC001246926247 812593420 /nfs/dbraw/zinc/59/34/20/812593420.db2.gz RWIMUSKKDIDWPN-KBPBESRZSA-N 3 0 328.457 -0.166 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@H]1CCN[C@@H](C(F)(F)F)C1 ZINC001246926875 812593469 /nfs/dbraw/zinc/59/34/69/812593469.db2.gz WUVXSXWJHXAMJG-NWDGAFQWSA-N 3 0 339.406 -0.215 20 0 EBADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@H]1CCC[C@@H]2C[NH2+]C[C@@H]21)O3 ZINC001247013863 812595615 /nfs/dbraw/zinc/59/56/15/812595615.db2.gz ZTVIOQVMNFLMAT-UMBPPFEGSA-N 2 0 327.450 -0.481 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C[C@@H](O)CN1CCOCC1 ZINC001251018540 812616114 /nfs/dbraw/zinc/61/61/14/812616114.db2.gz JONODGNJDWPBQJ-QGZVFWFLSA-N 2 0 330.517 -0.115 20 0 EBADRP COC(=O)CNC(=O)C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254051772 812692806 /nfs/dbraw/zinc/69/28/06/812692806.db2.gz ZZHRRXWDZWXMKT-UHFFFAOYSA-N 2 0 349.431 -0.108 20 0 EBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@@H](C)CC(=O)N2CCOCC2)O1 ZINC001256326294 812730602 /nfs/dbraw/zinc/73/06/02/812730602.db2.gz LIDCDUWNWNZEPA-DSJMHWKBSA-N 2 0 329.441 -0.062 20 0 EBADRP C[C@@H](CC(=O)N1CCOCC1)[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001256342543 812731258 /nfs/dbraw/zinc/73/12/58/812731258.db2.gz HBFSFJIFWZEIRC-HNNXBMFYSA-N 2 0 340.468 -0.280 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001256944141 812744266 /nfs/dbraw/zinc/74/42/66/812744266.db2.gz NJOZGDJNMSBNDL-HNNXBMFYSA-N 2 0 337.468 -0.909 20 0 EBADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC001261630464 812954013 /nfs/dbraw/zinc/95/40/13/812954013.db2.gz NBTMVYKCGGPZTK-LBPRGKRZSA-N 2 0 334.424 -0.044 20 0 EBADRP C[NH+]1CCN(CCCNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC001261643768 812958322 /nfs/dbraw/zinc/95/83/22/812958322.db2.gz FQCCHNFXYWWYDB-OAHLLOKOSA-N 2 0 349.483 -0.040 20 0 EBADRP C[NH+]1CCC(NC(=O)CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC001262013747 813028275 /nfs/dbraw/zinc/02/82/75/813028275.db2.gz LDQWRJPVDBWOSG-QGZVFWFLSA-N 2 0 337.512 -0.091 20 0 EBADRP C[NH+]1CCC(NC(=O)CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC001262013746 813028792 /nfs/dbraw/zinc/02/87/92/813028792.db2.gz LDQWRJPVDBWOSG-KRWDZBQOSA-N 2 0 337.512 -0.091 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC001262034580 813029377 /nfs/dbraw/zinc/02/93/77/813029377.db2.gz JAKVEJHLUNKNRQ-SOUVJXGZSA-N 2 0 339.484 -0.676 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001262034919 813029966 /nfs/dbraw/zinc/02/99/66/813029966.db2.gz SEVRLVPOELRLRS-UONOGXRCSA-N 2 0 326.441 -0.589 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081503642 813087873 /nfs/dbraw/zinc/08/78/73/813087873.db2.gz QRDGBMKMHBHBLC-GJZGRUSLSA-N 2 0 338.452 -0.887 20 0 EBADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001262569311 813096390 /nfs/dbraw/zinc/09/63/90/813096390.db2.gz VESYXHBREIIUNA-SJORKVTESA-N 3 0 327.517 -0.790 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)C[NH+](CC)CC)C[C@@H]1O ZINC001081506549 813099118 /nfs/dbraw/zinc/09/91/18/813099118.db2.gz UJVRJRMRTXDURO-GJZGRUSLSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081506755 813099220 /nfs/dbraw/zinc/09/92/20/813099220.db2.gz WLAOGSUWVFNNNI-LSDHHAIUSA-N 2 0 340.468 -0.641 20 0 EBADRP [NH3+]CCN1CCC[C@H](C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC001263160598 813108288 /nfs/dbraw/zinc/10/82/88/813108288.db2.gz IOGQLBSAFIKMRX-HUUCEWRRSA-N 2 0 338.452 -0.447 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]CCCO)cn1 ZINC001263944303 813136545 /nfs/dbraw/zinc/13/65/45/813136545.db2.gz YQNPYGGQBQLQDM-CWRNSKLLSA-N 2 0 335.452 -0.362 20 0 EBADRP C[NH+]1CCC(C(=O)NCc2nc(C[NH2+]CCCO)cc(=O)[nH]2)CC1 ZINC001264027017 813142220 /nfs/dbraw/zinc/14/22/20/813142220.db2.gz RWBLHLDUNDHSIJ-UHFFFAOYSA-N 2 0 337.424 -0.388 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001081554073 813169735 /nfs/dbraw/zinc/16/97/35/813169735.db2.gz REAGWNVXNKTRFA-GJZGRUSLSA-N 2 0 342.484 -0.396 20 0 EBADRP CCNC(=O)NC(=O)C[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001265001298 813215490 /nfs/dbraw/zinc/21/54/90/813215490.db2.gz SLEDWAFAXVXMON-ZDUSSCGKSA-N 2 0 341.456 -0.246 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001265460042 813328482 /nfs/dbraw/zinc/32/84/82/813328482.db2.gz WUROFGDILTUHNB-KBPBESRZSA-N 2 0 346.497 -0.400 20 0 EBADRP CCC[NH+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001081634434 813335610 /nfs/dbraw/zinc/33/56/10/813335610.db2.gz HPBKRKMUVOBYQK-LSDHHAIUSA-N 2 0 342.484 -0.395 20 0 EBADRP CCC[NH+](C)CC(=O)N1C[C@@H](CNC(=O)C[N@@H+](C)CCC)[C@H](O)C1 ZINC001081634433 813336345 /nfs/dbraw/zinc/33/63/45/813336345.db2.gz HPBKRKMUVOBYQK-HUUCEWRRSA-N 2 0 342.484 -0.395 20 0 EBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCCS(=O)(=O)N(C)C ZINC001265775274 813368123 /nfs/dbraw/zinc/36/81/23/813368123.db2.gz OXUAOUSWKVKVEW-MGPQQGTHSA-N 2 0 348.513 -0.298 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC(=O)NC(N)=O ZINC001266204879 813478469 /nfs/dbraw/zinc/47/84/69/813478469.db2.gz ZMZCETGZXJIWMI-QWHCGFSZSA-N 2 0 339.440 -0.364 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCCN1CC[NH+](CCO)CC1 ZINC001266262310 813497133 /nfs/dbraw/zinc/49/71/33/813497133.db2.gz HLMDNHCAVTZHTM-INIZCTEOSA-N 2 0 326.485 -0.025 20 0 EBADRP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CCN1C(=O)NC(C)(C)C1=O ZINC001266308902 813523441 /nfs/dbraw/zinc/52/34/41/813523441.db2.gz HKCMVKKBFDRRFA-GFCCVEGCSA-N 2 0 339.440 -0.541 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCN1C(=O)CNC1=O)C1CC1 ZINC001266424265 813565395 /nfs/dbraw/zinc/56/53/95/813565395.db2.gz OHFYHTOJCVHNQO-CHWSQXEVSA-N 2 0 337.424 -0.883 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@@H+]1CCN1C(=O)CNC1=O ZINC001266495192 813584478 /nfs/dbraw/zinc/58/44/78/813584478.db2.gz IPKBKTULVAIJMO-CYBMUJFWSA-N 2 0 337.424 -0.785 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001266543626 813603049 /nfs/dbraw/zinc/60/30/49/813603049.db2.gz QSXDWPUBAWTDQX-KBPBESRZSA-N 2 0 346.497 -0.400 20 0 EBADRP CCC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@H]1CCC(=O)NC1=O ZINC001266571013 813613186 /nfs/dbraw/zinc/61/31/86/813613186.db2.gz DWOSKISCVHCEQH-AWEZNQCLSA-N 2 0 338.452 -0.038 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001266614405 813623418 /nfs/dbraw/zinc/62/34/18/813623418.db2.gz DBHXSYAVUVAUGH-HAQNSBGRSA-N 2 0 325.413 -0.883 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CC(=O)N2CCO[C@H](C)C2)CC[N@@H+]1C ZINC001266704003 813645847 /nfs/dbraw/zinc/64/58/47/813645847.db2.gz QIRYGGCEBMRAAG-RBSFLKMASA-N 2 0 340.468 -0.378 20 0 EBADRP CC[C@@H](C(=O)N(C)CC[NH2+][C@H]1CCC(=O)NC1=O)[NH+](CC)CC ZINC001266833983 813680612 /nfs/dbraw/zinc/68/06/12/813680612.db2.gz CBINEASBBXFPTQ-STQMWFEESA-N 2 0 326.441 -0.040 20 0 EBADRP CC[C@@H](C(=O)N(C)CC[NH2+][C@@H]1CCC(=O)NC1=O)[NH+](CC)CC ZINC001266833981 813680686 /nfs/dbraw/zinc/68/06/86/813680686.db2.gz CBINEASBBXFPTQ-OLZOCXBDSA-N 2 0 326.441 -0.040 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CCCC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001266880810 813690470 /nfs/dbraw/zinc/69/04/70/813690470.db2.gz OTLKGYZXIHKZAO-ZDUSSCGKSA-N 2 0 341.456 -0.116 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001266927735 813702488 /nfs/dbraw/zinc/70/24/88/813702488.db2.gz LTRJDFRSCDQAHX-NWDGAFQWSA-N 2 0 339.440 -0.495 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCN(C)C(=O)Cc2[nH]cnc2C)n(C)n1 ZINC001267017784 813735865 /nfs/dbraw/zinc/73/58/65/813735865.db2.gz PIWQHBGWPRTOKF-UHFFFAOYSA-N 2 0 347.423 -0.011 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001267022697 813737170 /nfs/dbraw/zinc/73/71/70/813737170.db2.gz MIKKWFDVPFBSAM-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](C[NH2+]CCN3CCNC3=O)C2)C1 ZINC001267064788 813750198 /nfs/dbraw/zinc/75/01/98/813750198.db2.gz MMCGQZXHELFPMK-CABCVRRESA-N 2 0 337.468 -0.209 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CC[NH2+]CC(=O)N(C)C1CC1 ZINC001267082008 813754412 /nfs/dbraw/zinc/75/44/12/813754412.db2.gz YGCBNUYANQVIRR-AWEZNQCLSA-N 2 0 340.468 -0.377 20 0 EBADRP CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1CCC(=O)NC1=O ZINC001267251828 813803419 /nfs/dbraw/zinc/80/34/19/813803419.db2.gz RITNLWAIRYTYKI-GXTWGEPZSA-N 2 0 326.441 -0.184 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001267416213 813884785 /nfs/dbraw/zinc/88/47/85/813884785.db2.gz HVPKRJNWNCVMIV-GFCCVEGCSA-N 2 0 327.429 -0.649 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001267445190 813897544 /nfs/dbraw/zinc/89/75/44/813897544.db2.gz YJEQJXOGFNJGHS-UHFFFAOYSA-N 2 0 327.429 -0.778 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CC[NH2+]CC(=O)N1CCC1 ZINC001267469005 813905963 /nfs/dbraw/zinc/90/59/63/813905963.db2.gz HEBGVOSTYYXNJN-CQSZACIVSA-N 2 0 326.441 -0.765 20 0 EBADRP CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368753 813923462 /nfs/dbraw/zinc/92/34/62/813923462.db2.gz MCJLYUZKWQUPMU-BZUAXINKSA-N 2 0 335.452 -0.270 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082449753 813949229 /nfs/dbraw/zinc/94/92/29/813949229.db2.gz HRJXIIHRLUUPAG-MGPQQGTHSA-N 2 0 336.436 -0.334 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001082515556 813960034 /nfs/dbraw/zinc/96/00/34/813960034.db2.gz QYUXAJPNOPBEQU-FVQBIDKESA-N 2 0 334.464 -0.003 20 0 EBADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C)C(N)=O ZINC001082828835 814013194 /nfs/dbraw/zinc/01/31/94/814013194.db2.gz LHGFMFFLYSMVDH-VHDGCEQUSA-N 2 0 340.468 -0.202 20 0 EBADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001082827955 814013288 /nfs/dbraw/zinc/01/32/88/814013288.db2.gz JCMLSTSPNMROSX-VHDGCEQUSA-N 2 0 338.452 -0.578 20 0 EBADRP COCCOC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267747164 814020769 /nfs/dbraw/zinc/02/07/69/814020769.db2.gz MFORBHAGADFLQX-PMPSAXMXSA-N 2 0 343.468 -0.315 20 0 EBADRP C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268080558 814119368 /nfs/dbraw/zinc/11/93/68/814119368.db2.gz YFLRNDWUGKNRLC-QWHCGFSZSA-N 2 0 334.486 -0.592 20 0 EBADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001268142881 814134606 /nfs/dbraw/zinc/13/46/06/814134606.db2.gz RWBQZLXXCZXIEA-UONOGXRCSA-N 2 0 346.497 -0.542 20 0 EBADRP CC[C@@H](C(=O)N(C)CC[N@H+](C)CCN1C(=O)CCC1=O)[NH+](C)C ZINC001268255222 814161273 /nfs/dbraw/zinc/16/12/73/814161273.db2.gz TTYKYZXJMJSVQS-ZDUSSCGKSA-N 2 0 326.441 -0.134 20 0 EBADRP CS(=O)(=O)NCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001268288649 814172645 /nfs/dbraw/zinc/17/26/45/814172645.db2.gz CKZOVVUIQVQUFP-KGLIPLIRSA-N 2 0 346.497 -0.494 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCn2cc(Cl)cn2)C1 ZINC001268336621 814216227 /nfs/dbraw/zinc/21/62/27/814216227.db2.gz VAUZKYBPQJENOX-YPMHNXCESA-N 2 0 329.832 -0.445 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC=CC[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001268522936 814274029 /nfs/dbraw/zinc/27/40/29/814274029.db2.gz ODGUOFIHVVWVAG-SFAKSCPVSA-N 2 0 344.419 -0.121 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC/C=C/C[NH2+][C@H]2CCNC2=O)n1 ZINC001268539576 814279680 /nfs/dbraw/zinc/27/96/80/814279680.db2.gz VJUVLGBGDIDGTJ-OOPCZODUSA-N 2 0 334.424 -0.791 20 0 EBADRP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCN1C(=O)CNC1=O ZINC001268645817 814335071 /nfs/dbraw/zinc/33/50/71/814335071.db2.gz ILPJISBPOSMGLM-OLZOCXBDSA-N 2 0 339.440 -0.495 20 0 EBADRP C[C@H](C[NH2+]CCN1C(=O)CNC1=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001268651625 814338160 /nfs/dbraw/zinc/33/81/60/814338160.db2.gz KIKUJOIWOCHGDN-GFCCVEGCSA-N 2 0 337.424 -0.739 20 0 EBADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CCN1C(=O)NC(C)(C)C1=O)[NH+](C)C ZINC001268711819 814361049 /nfs/dbraw/zinc/36/10/49/814361049.db2.gz WJKGFLJTDBEHHD-NWDGAFQWSA-N 2 0 341.456 -0.249 20 0 EBADRP CN(CCC[NH2+]CCN(C)S(C)(=O)=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268801647 814391351 /nfs/dbraw/zinc/39/13/51/814391351.db2.gz HKIYMGOYIJHPCI-AWEZNQCLSA-N 2 0 348.513 -0.200 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001268803066 814392014 /nfs/dbraw/zinc/39/20/14/814392014.db2.gz WCVMGLNLYDRLIG-GFCCVEGCSA-N 2 0 327.429 -0.636 20 0 EBADRP CC[N@H+](C)CC(=O)N1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001269095922 814531917 /nfs/dbraw/zinc/53/19/17/814531917.db2.gz XCMXHWDAOVZYNY-MRXNPFEDSA-N 2 0 326.441 -0.670 20 0 EBADRP C[C@H](C(=O)N1CC2(C1)COCC(=O)N2CC[NH+](C)C)n1ccnc1 ZINC001269158069 814556044 /nfs/dbraw/zinc/55/60/44/814556044.db2.gz NBOKMRVBCJISHP-CYBMUJFWSA-N 2 0 335.408 -0.555 20 0 EBADRP C[C@H](C(=O)N1CC2(C1)COCC(=O)N2CC[NH+](C)C)[NH+]1CCCC1 ZINC001269248969 814594331 /nfs/dbraw/zinc/59/43/31/814594331.db2.gz VRMZBRQXHOKZKI-CQSZACIVSA-N 2 0 338.452 -0.528 20 0 EBADRP O=C(CC[NH+]1CCCCC1)NC[C@H]1CCN1[C@@H]1CCC(=O)NC1=O ZINC001269352184 814656828 /nfs/dbraw/zinc/65/68/28/814656828.db2.gz SDWIJAMZAZPYIU-ZIAGYGMSSA-N 2 0 336.436 -0.142 20 0 EBADRP Cn1[nH]c(C[NH2+]CC[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)nc1=O ZINC001269765834 815595813 /nfs/dbraw/zinc/59/58/13/815595813.db2.gz LTDAVTGUNYLEGC-ZDUSSCGKSA-N 2 0 338.456 -0.222 20 0 EBADRP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2O)cc1 ZINC001083783460 815602887 /nfs/dbraw/zinc/60/28/87/815602887.db2.gz UBWAXKBNVSEHNE-SJORKVTESA-N 2 0 335.448 -0.052 20 0 EBADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001083832935 815637917 /nfs/dbraw/zinc/63/79/17/815637917.db2.gz BBXGDWTYVMSWQZ-OAGGEKHMSA-N 2 0 325.453 -0.084 20 0 EBADRP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001083851190 815649708 /nfs/dbraw/zinc/64/97/08/815649708.db2.gz ROKKAVXRRLEPOS-YUELXQCFSA-N 2 0 339.440 -0.746 20 0 EBADRP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)cn1 ZINC001083954098 815736320 /nfs/dbraw/zinc/73/63/20/815736320.db2.gz KLSHINXRJUABID-UAGQMJEPSA-N 2 0 349.479 -0.051 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CCN1CCNC1=O ZINC001270298234 815744650 /nfs/dbraw/zinc/74/46/50/815744650.db2.gz DHXBBGDAWWJJMV-CQSZACIVSA-N 2 0 325.457 -0.066 20 0 EBADRP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]CCNS(C)(=O)=O ZINC001270436936 815778360 /nfs/dbraw/zinc/77/83/60/815778360.db2.gz UBKXWWHTJZSCQH-QWHCGFSZSA-N 2 0 334.486 -0.638 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CN(CCOCCO)CCO1 ZINC001270664513 815848644 /nfs/dbraw/zinc/84/86/44/815848644.db2.gz GALYTAQIMBHSCY-CABCVRRESA-N 2 0 329.441 -0.703 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001271171406 816015618 /nfs/dbraw/zinc/01/56/18/816015618.db2.gz RUDPRBLAEPBGIP-CYBMUJFWSA-N 2 0 346.497 -0.542 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)[C@@H](C)C[NH2+]CCS(C)(=O)=O ZINC001271208389 816034816 /nfs/dbraw/zinc/03/48/16/816034816.db2.gz QDAWTSXNSRLHKF-KBPBESRZSA-N 2 0 349.497 -0.564 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001271250127 816051713 /nfs/dbraw/zinc/05/17/13/816051713.db2.gz PUCZECGRYIWQEP-UHFFFAOYSA-N 2 0 340.468 -0.280 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001271423968 816102758 /nfs/dbraw/zinc/10/27/58/816102758.db2.gz AQJJUXITYGYDTJ-UONOGXRCSA-N 2 0 348.513 -0.296 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001086046315 816213613 /nfs/dbraw/zinc/21/36/13/816213613.db2.gz SYTOZADPFGPNSD-ZNMIVQPWSA-N 2 0 338.452 -0.576 20 0 EBADRP O=C(NC[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001086368024 816309808 /nfs/dbraw/zinc/30/98/08/816309808.db2.gz NYDRBOMBCSYOQT-MXAVVETBSA-N 2 0 348.447 -0.382 20 0 EBADRP O=C(NC[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001086368026 816310031 /nfs/dbraw/zinc/31/00/31/816310031.db2.gz NYDRBOMBCSYOQT-NMFUWQPSSA-N 2 0 348.447 -0.382 20 0 EBADRP CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1)C(N)=O ZINC001086456747 816343904 /nfs/dbraw/zinc/34/39/04/816343904.db2.gz USVVOAZRNBNYSQ-ZQDZILKHSA-N 2 0 340.468 -0.156 20 0 EBADRP Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)nc1=O ZINC001086874809 816412645 /nfs/dbraw/zinc/41/26/45/816412645.db2.gz SRXBQRDACKACGR-RWMBFGLXSA-N 2 0 336.440 -0.565 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2[NH2+]CCO)cn1 ZINC001086979339 816431811 /nfs/dbraw/zinc/43/18/11/816431811.db2.gz VMDHJPAFKWGQHG-YESZJQIVSA-N 2 0 347.463 -0.362 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001086997293 816441669 /nfs/dbraw/zinc/44/16/69/816441669.db2.gz XDOHMTKTVIOYME-VHDGCEQUSA-N 2 0 348.451 -0.869 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001087005754 816443703 /nfs/dbraw/zinc/44/37/03/816443703.db2.gz SNZIXOQGTMKTTR-AEGPPILISA-N 2 0 348.451 -0.869 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](CC[NH2+]CCN3CCNC3=O)C2)C1 ZINC001272640997 816499495 /nfs/dbraw/zinc/49/94/95/816499495.db2.gz ABQMCFMMKRTEHG-CABCVRRESA-N 2 0 337.468 -0.209 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](CC[NH2+]CCN3CCNC3=O)C2)C1 ZINC001272641001 816499511 /nfs/dbraw/zinc/49/95/11/816499511.db2.gz ABQMCFMMKRTEHG-GJZGRUSLSA-N 2 0 337.468 -0.209 20 0 EBADRP C[C@@H](CC[NH2+]Cc1ccn(C)c(=O)c1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001272704028 816509612 /nfs/dbraw/zinc/50/96/12/816509612.db2.gz PDKIOBSMBRDNAD-ZFWWWQNUSA-N 2 0 336.436 -0.300 20 0 EBADRP C[C@H](CC[NH2+]CCN1C(=O)CNC1=O)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001272865833 816541271 /nfs/dbraw/zinc/54/12/71/816541271.db2.gz ONKFAPOPVAQVEW-CHWSQXEVSA-N 2 0 339.440 -0.493 20 0 EBADRP Cn1cnnc1CN1C[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273031208 816570640 /nfs/dbraw/zinc/57/06/40/816570640.db2.gz USUPCRQVQYEKKD-KRWDZBQOSA-N 2 0 348.451 -0.382 20 0 EBADRP C[C@@H](CC[NH2+]Cc1nnnn1C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001273184884 816602298 /nfs/dbraw/zinc/60/22/98/816602298.db2.gz UTAHQYHEVMOPEJ-STQMWFEESA-N 2 0 339.444 -0.837 20 0 EBADRP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@H+](Cc3nccnc3N)C2)C1=O ZINC001273275981 816627325 /nfs/dbraw/zinc/62/73/25/816627325.db2.gz YJRAFSHNRINVEG-KRWDZBQOSA-N 2 0 346.435 -0.039 20 0 EBADRP Cn1cc(CC[NH2+]C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CCO2)cn1 ZINC001273342241 816648664 /nfs/dbraw/zinc/64/86/64/816648664.db2.gz IFSKQKYVDXKMBL-INIZCTEOSA-N 2 0 347.463 -0.125 20 0 EBADRP CCN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001273383153 816662217 /nfs/dbraw/zinc/66/22/17/816662217.db2.gz XOVLZJJHRYGKOY-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP CN(CCC[N@H+](C)CCN1C(=O)CCC1=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001273591633 816703759 /nfs/dbraw/zinc/70/37/59/816703759.db2.gz YKZDRSINPTWXPE-CQSZACIVSA-N 2 0 338.452 -0.133 20 0 EBADRP O=C1COCC2(CN(CC[NH+]3CCCC3)C2)N1CCn1ccnc1 ZINC001273715041 816741136 /nfs/dbraw/zinc/74/11/36/816741136.db2.gz XLGSXEUYMQDMCK-UHFFFAOYSA-N 2 0 333.436 -0.108 20 0 EBADRP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](C[C@@H]1COCCO1)C2 ZINC001273773616 816756337 /nfs/dbraw/zinc/75/63/37/816756337.db2.gz HQBNSJHVNHSIGL-NVXWUHKLSA-N 2 0 341.452 -0.486 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC001089040225 816787069 /nfs/dbraw/zinc/78/70/69/816787069.db2.gz HAWYVHOYPYTHBK-PMPSAXMXSA-N 2 0 335.452 -0.081 20 0 EBADRP O=C(Cc1ncc[nH]1)NC1(C[NH2+][C@@H]2CCC(=O)NC2=O)CCOCC1 ZINC001274006413 816839152 /nfs/dbraw/zinc/83/91/52/816839152.db2.gz IVOMTAWFQOAIQV-LLVKDONJSA-N 2 0 349.391 -0.988 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCN1C(=O)CNC1=O ZINC001274132588 816877452 /nfs/dbraw/zinc/87/74/52/816877452.db2.gz BPNQYZOBBIQGEP-DHCBQETCSA-N 2 0 337.424 -0.716 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H](C)C1 ZINC001274278412 816918153 /nfs/dbraw/zinc/91/81/53/816918153.db2.gz AFFOISLIUGBVMV-STQMWFEESA-N 2 0 334.486 -0.686 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001274281264 816919440 /nfs/dbraw/zinc/91/94/40/816919440.db2.gz SJOSDILOQHYQSO-CHWSQXEVSA-N 2 0 344.481 -0.932 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001274518962 816989739 /nfs/dbraw/zinc/98/97/39/816989739.db2.gz MEISWDGGPWQBTN-KTRBRXNASA-N 2 0 327.429 -0.710 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CCN1CCCS1(=O)=O)[NH+](C)C ZINC001274797012 817088677 /nfs/dbraw/zinc/08/86/77/817088677.db2.gz KPIVULJKRSCBEJ-KGLIPLIRSA-N 2 0 348.513 -0.298 20 0 EBADRP C[C@H](C[NH2+]CCCN1C(=O)CNC1=O)NC(=O)C[NH+]1CCCC1 ZINC001275023266 817143203 /nfs/dbraw/zinc/14/32/03/817143203.db2.gz RRADBZDDBSQNBJ-GFCCVEGCSA-N 2 0 325.413 -0.882 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CC1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001275310471 817195382 /nfs/dbraw/zinc/19/53/82/817195382.db2.gz KMWNXCDTSOHWCS-UHFFFAOYSA-N 2 0 344.481 -0.884 20 0 EBADRP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090306749 817241205 /nfs/dbraw/zinc/24/12/05/817241205.db2.gz LGBRHDQMGFUQFT-CHWSQXEVSA-N 2 0 327.450 -0.033 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001275538477 817247784 /nfs/dbraw/zinc/24/77/84/817247784.db2.gz GMALLYCEBXEWRL-OLZOCXBDSA-N 2 0 346.497 -0.496 20 0 EBADRP C[C@H](C[N@H+](C)[C@H]1CCC(=O)NC1=O)NC(=O)CC1CC[NH+](C)CC1 ZINC001275665283 817267839 /nfs/dbraw/zinc/26/78/39/817267839.db2.gz GLAWDDYEQNPFLH-OCCSQVGLSA-N 2 0 338.452 -0.040 20 0 EBADRP C[C@@H](C[N@H+](C)CCN1C(=O)CNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001275697050 817274646 /nfs/dbraw/zinc/27/46/46/817274646.db2.gz CTTJRTVAUPJFFW-LBPRGKRZSA-N 2 0 337.424 -0.930 20 0 EBADRP O=C(N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC001090356027 817298140 /nfs/dbraw/zinc/29/81/40/817298140.db2.gz TWVPFEMABKYNGS-HUUCEWRRSA-N 2 0 325.453 -0.204 20 0 EBADRP O=C(N[C@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001090392272 817348028 /nfs/dbraw/zinc/34/80/28/817348028.db2.gz RMEVPDZCPLECNX-GJZGRUSLSA-N 2 0 348.451 -0.542 20 0 EBADRP CN1CCO[C@H](C(=O)NC2(C[NH2+]CCOCCO)CCCCC2)C1 ZINC001276188845 817370434 /nfs/dbraw/zinc/37/04/34/817370434.db2.gz ZJKPPOZWXADFSC-HNNXBMFYSA-N 2 0 343.468 -0.265 20 0 EBADRP O=C(Cn1cccnc1=O)N1C[C@H]2C[C@@H](C1)[N@H+](CC1CC[NH2+]CC1)C2 ZINC001276708860 817456821 /nfs/dbraw/zinc/45/68/21/817456821.db2.gz DMCQXZUJXKGQNG-HOTGVXAUSA-N 2 0 345.447 -0.224 20 0 EBADRP O=C(Cn1cccnc1=O)N1C[C@@H]2CC[N@H+](CC3CC[NH2+]CC3)[C@@H]2C1 ZINC001276710012 817458325 /nfs/dbraw/zinc/45/83/25/817458325.db2.gz SHPFDXCLJCMQLX-JKSUJKDBSA-N 2 0 345.447 -0.224 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCN3C(=O)CCC3=O)CC2)CC[N@@H+]1C ZINC001277061039 817515438 /nfs/dbraw/zinc/51/54/38/817515438.db2.gz XTUVDFIOYMPGLY-CHWSQXEVSA-N 2 0 336.436 -0.286 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](C[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001277075337 817517874 /nfs/dbraw/zinc/51/78/74/817517874.db2.gz VILONBJZQKYUHA-MGPQQGTHSA-N 2 0 331.482 -0.143 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCn3cccn3)C[C@H]2O)CC1 ZINC001090537600 817521342 /nfs/dbraw/zinc/52/13/42/817521342.db2.gz MQSKFUIQGJLFMX-HZPDHXFCSA-N 2 0 335.452 -0.224 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCN2C(=O)CCC2=O)CC1 ZINC001277141220 817524653 /nfs/dbraw/zinc/52/46/53/817524653.db2.gz NOIJNOUQZKSYLC-ZDUSSCGKSA-N 2 0 336.436 -0.142 20 0 EBADRP C[C@@H](CCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001277271791 817540609 /nfs/dbraw/zinc/54/06/09/817540609.db2.gz KKDWYIVJPQRHOK-STQMWFEESA-N 2 0 338.456 -0.033 20 0 EBADRP CN(C)C(=O)CN1CC[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@H]2CC1 ZINC001277588189 817602376 /nfs/dbraw/zinc/60/23/76/817602376.db2.gz BBDVGZVKGCLJCY-OKILXGFUSA-N 2 0 331.482 -0.237 20 0 EBADRP COCCOC[C@@H](O)CN1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001277617308 817609350 /nfs/dbraw/zinc/60/93/50/817609350.db2.gz FQLXFBFTCUQNSH-JKSUJKDBSA-N 2 0 343.468 -0.363 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C[C@@H]1C ZINC001277778013 817634910 /nfs/dbraw/zinc/63/49/10/817634910.db2.gz YUAXAMOZLLPCOQ-UONOGXRCSA-N 2 0 348.513 -0.154 20 0 EBADRP CC(=O)NCCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001277824115 817641523 /nfs/dbraw/zinc/64/15/23/817641523.db2.gz TWHBESDYWIQCER-HZPDHXFCSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](CO)C[N@@H+]1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001277998445 817672062 /nfs/dbraw/zinc/67/20/62/817672062.db2.gz JWPHLQAQUPICKX-RDJZCZTQSA-N 2 0 326.485 -0.167 20 0 EBADRP C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CCCN4CC[NH+](C)CC4)CC3)[C@H]2C1 ZINC001278116743 817701828 /nfs/dbraw/zinc/70/18/28/817701828.db2.gz GIHPJRQQUOCALX-IRXDYDNUSA-N 3 0 349.523 -0.234 20 0 EBADRP C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](CCCN4CC[NH+](C)CC4)CC3)[C@@H]2C1 ZINC001278116742 817701943 /nfs/dbraw/zinc/70/19/43/817701943.db2.gz GIHPJRQQUOCALX-IAGOWNOFSA-N 3 0 349.523 -0.234 20 0 EBADRP Cn1ncnc1C(=O)N1CC2(C1)C[NH+](CCCN1CC[NH+](C)CC1)C2 ZINC001278113755 817702265 /nfs/dbraw/zinc/70/22/65/817702265.db2.gz AYRXGTVLSLJCBE-UHFFFAOYSA-N 2 0 347.467 -0.790 20 0 EBADRP O=C(N[C@@H]1CC[N@@H+](CCn2cccn2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001090731609 817706424 /nfs/dbraw/zinc/70/64/24/817706424.db2.gz TXJHVLRPEZFJQZ-HUUCEWRRSA-N 2 0 333.436 -0.470 20 0 EBADRP C[C@@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)C1CC[NH+](C)CC1 ZINC001278399175 817752364 /nfs/dbraw/zinc/75/23/64/817752364.db2.gz VATFDTVNUCYZOO-OCCSQVGLSA-N 2 0 346.497 -0.544 20 0 EBADRP Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090811743 817766795 /nfs/dbraw/zinc/76/67/95/817766795.db2.gz DHUYYBRLWZDMEA-CVEARBPZSA-N 2 0 335.452 -0.390 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001090814178 817770106 /nfs/dbraw/zinc/77/01/06/817770106.db2.gz JHPKNLMVNRYQQN-GJZGRUSLSA-N 2 0 338.452 -0.744 20 0 EBADRP Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)cn1 ZINC001090818957 817775034 /nfs/dbraw/zinc/77/50/34/817775034.db2.gz YMBNVJCWZRJFJF-CVEARBPZSA-N 2 0 335.452 -0.390 20 0 EBADRP Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)cn1 ZINC001090818958 817775818 /nfs/dbraw/zinc/77/58/18/817775818.db2.gz YMBNVJCWZRJFJF-HOTGVXAUSA-N 2 0 335.452 -0.390 20 0 EBADRP Cc1noc(CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001278737578 817801587 /nfs/dbraw/zinc/80/15/87/817801587.db2.gz QDFIFMZCLTXKIS-KGLIPLIRSA-N 2 0 339.440 -0.186 20 0 EBADRP O=C(N1CCC[C@](CO)([NH2+]CCOCCO)C1)C12CC[NH+](CC1)C2 ZINC001281184484 818070140 /nfs/dbraw/zinc/07/01/40/818070140.db2.gz LBWWRKJRPFYVMX-KRWDZBQOSA-N 2 0 341.452 -0.966 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001093673525 818079502 /nfs/dbraw/zinc/07/95/02/818079502.db2.gz SJMMSALIOYGVTN-JHJVBQTASA-N 2 0 336.440 -0.613 20 0 EBADRP CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1)[NH+](C)C ZINC001093839501 818111652 /nfs/dbraw/zinc/11/16/52/818111652.db2.gz QMHQIZXNLCLDNF-NFAWXSAZSA-N 2 0 337.472 -0.020 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001094169112 818165205 /nfs/dbraw/zinc/16/52/05/818165205.db2.gz CSZQMGYWKZPHBE-MCIONIFRSA-N 2 0 348.447 -0.429 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001281457834 818187911 /nfs/dbraw/zinc/18/79/11/818187911.db2.gz LUYYIJXERXVUIJ-OLZOCXBDSA-N 2 0 334.486 -0.686 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001281990545 818330700 /nfs/dbraw/zinc/33/07/00/818330700.db2.gz JJPZGJZFYQDKCC-BPCQOVAHSA-N 2 0 337.424 -0.883 20 0 EBADRP C[C@@H]([NH2+]CCN1C(=O)NC(C)(C)C1=O)[C@H](C)NC(=O)CC[NH+](C)C ZINC001282186715 818373662 /nfs/dbraw/zinc/37/36/62/818373662.db2.gz WZYXBKBTWKBOHO-NEPJUHHUSA-N 2 0 341.456 -0.249 20 0 EBADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CCN1C(=O)CNC1=O ZINC001282363425 818396723 /nfs/dbraw/zinc/39/67/23/818396723.db2.gz AEIBUZRNFQNPHZ-RYUDHWBXSA-N 2 0 325.413 -0.931 20 0 EBADRP CC[C@H](C(=O)N[C@H](C)C1C[NH+](CCN2C(=O)CCC2=O)C1)[NH+](C)C ZINC001282736655 818481950 /nfs/dbraw/zinc/48/19/50/818481950.db2.gz FRTBYAQIRWZSAY-TZMCWYRMSA-N 2 0 338.452 -0.088 20 0 EBADRP Cn1nnnc1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001095039431 818552645 /nfs/dbraw/zinc/55/26/45/818552645.db2.gz QJZURAQGIZGBCE-MJBXVCDLSA-N 2 0 345.451 -0.225 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCNC(=O)C[NH+]1CCCC1 ZINC001283024360 818590642 /nfs/dbraw/zinc/59/06/42/818590642.db2.gz HHUFAAAOPPORGY-CQSZACIVSA-N 2 0 326.441 -0.717 20 0 EBADRP O=C(N[C@@H]1CC[C@@H](C[NH2+]CCOCCO)C1)C12CC[NH+](CC1)C2 ZINC001284242769 819146121 /nfs/dbraw/zinc/14/61/21/819146121.db2.gz NBTDNZYKQHNUFH-HUUCEWRRSA-N 2 0 325.453 -0.034 20 0 EBADRP O=C([C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC([NH+](CCO)CCO)CC1 ZINC001098373638 819156266 /nfs/dbraw/zinc/15/62/66/819156266.db2.gz JDRCPQWEUDTLNN-CVEARBPZSA-N 2 0 341.452 -0.873 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2CCNC2=O)C1 ZINC001098394961 819169072 /nfs/dbraw/zinc/16/90/72/819169072.db2.gz VDWNMUIHERHVER-YJNKXOJESA-N 2 0 335.452 -0.315 20 0 EBADRP CC[C@H](C(=O)N1CCC([N@H+](CCO)C[C@@H](O)COC)CC1)[NH+](C)C ZINC001098403995 819172051 /nfs/dbraw/zinc/17/20/51/819172051.db2.gz BQWYOVCICRKZGX-HZPDHXFCSA-N 2 0 345.484 -0.381 20 0 EBADRP COC[C@H](O)C[N@H+](CCO)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001098462417 819199539 /nfs/dbraw/zinc/19/95/39/819199539.db2.gz SRXHHAIWUGPKIF-MRXNPFEDSA-N 2 0 345.484 -0.379 20 0 EBADRP CC(C)[C@H](C(=O)N1CCC([N@H+](CCO)CC(N)=O)CC1)[NH+](C)C ZINC001098472109 819205398 /nfs/dbraw/zinc/20/53/98/819205398.db2.gz WUYCJDBYXIHLEI-OAHLLOKOSA-N 2 0 328.457 -0.657 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH+](CCO)CCCO)CC1 ZINC001098478980 819208816 /nfs/dbraw/zinc/20/88/16/819208816.db2.gz MWJNKMSKDBTSPG-GOEBONIOSA-N 2 0 327.469 -0.148 20 0 EBADRP CNC(=O)C[N@H+](CCO)C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001098479226 819209113 /nfs/dbraw/zinc/20/91/13/819209113.db2.gz XSFZLYITHKEJNQ-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP CNC(=O)C[N@H+](CCO)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001098534882 819235179 /nfs/dbraw/zinc/23/51/79/819235179.db2.gz LMGGVSGQMXNFAS-UHFFFAOYSA-N 2 0 338.452 -0.887 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH+](CCO)CC(N)=O)CC1 ZINC001098572540 819251810 /nfs/dbraw/zinc/25/18/10/819251810.db2.gz NMSJIFOPMHHZNG-OAHLLOKOSA-N 2 0 340.468 -0.369 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098645498 819293415 /nfs/dbraw/zinc/29/34/15/819293415.db2.gz NYWMYVCJPIKXNH-CABCVRRESA-N 2 0 336.440 -0.382 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098763020 819357111 /nfs/dbraw/zinc/35/71/11/819357111.db2.gz SNAHIZBVOFILER-OAHLLOKOSA-N 2 0 338.456 -0.135 20 0 EBADRP C[C@@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001098768162 819359777 /nfs/dbraw/zinc/35/97/77/819359777.db2.gz RQDRSQUVXAXXDZ-HIFRSBDPSA-N 2 0 348.451 -0.382 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098774849 819362827 /nfs/dbraw/zinc/36/28/27/819362827.db2.gz SWZSIXUHTWFIGZ-HNNXBMFYSA-N 2 0 338.456 -0.135 20 0 EBADRP C[C@H]([NH2+]CCOCCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001284854504 819374025 /nfs/dbraw/zinc/37/40/25/819374025.db2.gz HNGWCFJMEXCUFQ-UONOGXRCSA-N 2 0 328.457 -0.378 20 0 EBADRP CN(CCOCC[NH2+][C@H]1CCCN(C)C1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001284875163 819384323 /nfs/dbraw/zinc/38/43/23/819384323.db2.gz WMEZKUPPTMPKEA-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(CCOCC[NH2+][C@H]1CCCNC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001284876309 819385463 /nfs/dbraw/zinc/38/54/63/819385463.db2.gz SSWVZOFVYMWKFX-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP CN(CCOCC[NH2+]CC(N)=O)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001284876222 819386114 /nfs/dbraw/zinc/38/61/14/819386114.db2.gz QEIGPTROTCXQKR-INIZCTEOSA-N 2 0 346.447 -0.251 20 0 EBADRP CN(CCOCC[NH2+]CC(N)=O)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001284877059 819386286 /nfs/dbraw/zinc/38/62/86/819386286.db2.gz SNIXTKFWKNJKIO-UONOGXRCSA-N 2 0 326.441 -0.447 20 0 EBADRP CC(C)[C@@H](C(=O)NC1CN(C(=O)COCC[NH+](C)C)C1)[NH+](C)C ZINC001284914018 819404765 /nfs/dbraw/zinc/40/47/65/819404765.db2.gz QVHNHDZZMDSRBY-HNNXBMFYSA-N 2 0 328.457 -0.522 20 0 EBADRP O=C(N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2)C12CC[NH+](CC1)C2 ZINC001099122578 819421520 /nfs/dbraw/zinc/42/15/20/819421520.db2.gz APSIRAXQVMEETP-IYOUNJFTSA-N 2 0 332.448 -0.059 20 0 EBADRP Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099880353 819824920 /nfs/dbraw/zinc/82/49/20/819824920.db2.gz YTZKTTBAEWNAFT-IAGOWNOFSA-N 2 0 349.479 -0.002 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001099893293 819847189 /nfs/dbraw/zinc/84/71/89/819847189.db2.gz XOHUUSPXSHQCKN-CABCVRRESA-N 2 0 343.468 -0.721 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001099893296 819848225 /nfs/dbraw/zinc/84/82/25/819848225.db2.gz XOHUUSPXSHQCKN-LSDHHAIUSA-N 2 0 343.468 -0.721 20 0 EBADRP C[NH+]1CCC(OCC(=O)N[C@H]2CC[N@H+](CCCO)C[C@H]2O)CC1 ZINC001100050593 820125901 /nfs/dbraw/zinc/12/59/01/820125901.db2.gz KRRREVHAKGCYLZ-LSDHHAIUSA-N 2 0 329.441 -0.969 20 0 EBADRP CC(C)OCCC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076581 820171083 /nfs/dbraw/zinc/17/10/83/820171083.db2.gz NOZNBQMYKAITTF-CVEARBPZSA-N 2 0 345.484 -0.069 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001100185582 820306681 /nfs/dbraw/zinc/30/66/81/820306681.db2.gz GOWRTCOUKDDIRH-WXRRBKDZSA-N 2 0 339.440 -0.589 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1 ZINC001100187660 820308251 /nfs/dbraw/zinc/30/82/51/820308251.db2.gz HJGXMPOJTFWVEI-BPCQOVAHSA-N 2 0 332.470 -0.886 20 0 EBADRP CS(=O)(=O)CC[NH2+]C1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001100335171 820364589 /nfs/dbraw/zinc/36/45/89/820364589.db2.gz MZFYHRHLPFZAHZ-PESDSKBTSA-N 2 0 343.493 -0.143 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100446821 820423661 /nfs/dbraw/zinc/42/36/61/820423661.db2.gz CFXCJUDHWYHJRZ-HTAVTVPLSA-N 2 0 325.413 -0.850 20 0 EBADRP CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001100605600 820484617 /nfs/dbraw/zinc/48/46/17/820484617.db2.gz KMWGDSIPCJTLHH-NRXISQOPSA-N 2 0 340.468 -0.284 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001100617436 820489365 /nfs/dbraw/zinc/48/93/65/820489365.db2.gz UQUXHHDTMCLIAI-UHFFFAOYSA-N 2 0 339.440 -0.732 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100638332 820496178 /nfs/dbraw/zinc/49/61/78/820496178.db2.gz HBIMXJGNNSJAEG-UHFFFAOYSA-N 2 0 334.486 -0.638 20 0 EBADRP C[C@H]([NH2+]C1CC(CNC(=O)C2CC[NH+](C)CC2)C1)C(=O)NC(N)=O ZINC001100634950 820496768 /nfs/dbraw/zinc/49/67/68/820496768.db2.gz UCJPGGBYUOXSRU-ZBOXLXRLSA-N 2 0 339.440 -0.604 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1 ZINC001100676132 820507794 /nfs/dbraw/zinc/50/77/94/820507794.db2.gz ICVXSZFQHUVNPL-IYXRBSQSSA-N 2 0 346.497 -0.496 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCN(C(=O)COCC[NH+](C)C)CC1)[NH+](C)C ZINC001292413723 820539775 /nfs/dbraw/zinc/53/97/75/820539775.db2.gz IOMUSAGBDYRZFF-INIZCTEOSA-N 2 0 342.484 -0.178 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)C[NH+](CC)CC)C1 ZINC001100769572 820547159 /nfs/dbraw/zinc/54/71/59/820547159.db2.gz QCVPFJYICFTGPI-UHFFFAOYSA-N 2 0 341.456 -0.342 20 0 EBADRP CCn1ncnc1C[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100871023 820585401 /nfs/dbraw/zinc/58/54/01/820585401.db2.gz XUAGTHVRRYSNBD-UHFFFAOYSA-N 2 0 338.456 -0.139 20 0 EBADRP C[C@H]([NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1)C(=O)N(C)C ZINC001100870605 820585419 /nfs/dbraw/zinc/58/54/19/820585419.db2.gz JZUGPUUMHINMIC-HSBZDZAISA-N 2 0 328.457 -0.474 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001100980687 820630435 /nfs/dbraw/zinc/63/04/35/820630435.db2.gz BPHVXZZVHDBQPP-CPCZMJQVSA-N 2 0 339.440 -0.732 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC2CC([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001100980664 820630680 /nfs/dbraw/zinc/63/06/80/820630680.db2.gz ANIXPXOQVVWJNO-MOKVOYLWSA-N 2 0 331.482 -0.143 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432393 820790088 /nfs/dbraw/zinc/79/00/88/820790088.db2.gz PZSPPYGLRYGGQG-INMHGKMJSA-N 2 0 343.468 -0.648 20 0 EBADRP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432497 820790207 /nfs/dbraw/zinc/79/02/07/820790207.db2.gz UFCCJRXKLRJKOH-ZENOOKHLSA-N 2 0 326.441 -0.781 20 0 EBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001102047649 821010532 /nfs/dbraw/zinc/01/05/32/821010532.db2.gz OKLMTLWGHHETKJ-QKCSRTOESA-N 2 0 339.440 -0.794 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102295325 821061808 /nfs/dbraw/zinc/06/18/08/821061808.db2.gz DMUISKMZAQZFOA-FRRDWIJNSA-N 2 0 341.456 -0.404 20 0 EBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001102312717 821068694 /nfs/dbraw/zinc/06/86/94/821068694.db2.gz JMSUHZSBNHRADT-DGCLKSJQSA-N 2 0 339.440 -0.793 20 0 EBADRP COCCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102318909 821069425 /nfs/dbraw/zinc/06/94/25/821069425.db2.gz PNVSVISAEPNSBT-HUUCEWRRSA-N 2 0 342.484 -0.225 20 0 EBADRP CCS(=O)(=O)NCC[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320463 821070286 /nfs/dbraw/zinc/07/02/86/821070286.db2.gz DISIMAOARGAPIX-ZIAGYGMSSA-N 2 0 348.513 -0.439 20 0 EBADRP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513507 821135473 /nfs/dbraw/zinc/13/54/73/821135473.db2.gz NKHXBWUVRAXJRG-QLFBSQMISA-N 2 0 342.484 -0.275 20 0 EBADRP C[C@@H]1C[N@H+](CCO)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001103250029 821278943 /nfs/dbraw/zinc/27/89/43/821278943.db2.gz YQFZKEDGGLKDOD-HCBPCCMXSA-N 2 0 337.464 -0.084 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1CN(C(=O)COCC[NH+](C)C)C1 ZINC001297069103 821311890 /nfs/dbraw/zinc/31/18/90/821311890.db2.gz CPUHOWSXLGKHRD-KBPBESRZSA-N 2 0 340.468 -0.236 20 0 EBADRP C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103641950 821335883 /nfs/dbraw/zinc/33/58/83/821335883.db2.gz KHTXMNRVQGPOJS-RBSFLKMASA-N 2 0 340.468 -0.473 20 0 EBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104599432 821517815 /nfs/dbraw/zinc/51/78/15/821517815.db2.gz PFJRVJOYOFTQDQ-CHWSQXEVSA-N 2 0 341.456 -0.403 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001104937763 821565335 /nfs/dbraw/zinc/56/53/35/821565335.db2.gz GMCRGZRTVGUOHX-CHWSQXEVSA-N 2 0 341.456 -0.403 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1)C1CC1 ZINC001105259984 821652821 /nfs/dbraw/zinc/65/28/21/821652821.db2.gz VXPIIFFMJUYMIZ-OAHLLOKOSA-N 2 0 336.440 -0.526 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105326921 821694607 /nfs/dbraw/zinc/69/46/07/821694607.db2.gz LUULKIVJOSUDQC-DOMZBBRYSA-N 2 0 336.440 -0.669 20 0 EBADRP COCCC[NH2+]Cc1cn(C2CN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001105361250 821718324 /nfs/dbraw/zinc/71/83/24/821718324.db2.gz VFUVRNWTUAQFTQ-UHFFFAOYSA-N 2 0 348.451 -0.117 20 0 EBADRP O=C(NC[C@H]1C[C@H]([NH2+]CCOCCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001316630605 821821181 /nfs/dbraw/zinc/82/11/81/821821181.db2.gz ZBJBGUOLYKCEMN-BPUTZDHNSA-N 2 0 325.453 -0.179 20 0 EBADRP C[N@H+](CCCNC(=O)C(C)(C)C[NH+]1CCOCC1)[C@@H]1CCNC1=O ZINC001316836434 821877647 /nfs/dbraw/zinc/87/76/47/821877647.db2.gz YCKVERRIZKNZCR-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP O=C(N[C@H]1CCC[N@@H+](CCOCCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001316945099 821927782 /nfs/dbraw/zinc/92/77/82/821927782.db2.gz PETAOQMOPSIDIQ-HOTGVXAUSA-N 2 0 325.453 -0.082 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCNS(C)(=O)=O ZINC001317186013 822031203 /nfs/dbraw/zinc/03/12/03/822031203.db2.gz ZCFMWSWOFMTCLE-KGLIPLIRSA-N 2 0 346.497 -0.400 20 0 EBADRP CS(=O)(=O)NCC[NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001317200263 822033679 /nfs/dbraw/zinc/03/36/79/822033679.db2.gz QVJUSCHSFBMLRM-CQSZACIVSA-N 2 0 346.497 -0.398 20 0 EBADRP CN(CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)S(C)(=O)=O ZINC001317313647 822079733 /nfs/dbraw/zinc/07/97/33/822079733.db2.gz RNVLMZGDKPVQHR-ZIAGYGMSSA-N 2 0 346.497 -0.590 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001317344442 822089350 /nfs/dbraw/zinc/08/93/50/822089350.db2.gz SCUYRKFHIVPBCF-ZDUSSCGKSA-N 2 0 339.440 -0.682 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CCCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001317445970 822111436 /nfs/dbraw/zinc/11/14/36/822111436.db2.gz PFGRLLWNUCWINM-CHWSQXEVSA-N 2 0 339.440 -0.684 20 0 EBADRP CC[N@H+](CCCN1C(=O)CNC1=O)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001317485107 822127069 /nfs/dbraw/zinc/12/70/69/822127069.db2.gz QMYQLIWYEHSOKR-CYBMUJFWSA-N 2 0 339.440 -0.539 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+](CCN2C(=O)CCC2=O)C1 ZINC001317532590 822147633 /nfs/dbraw/zinc/14/76/33/822147633.db2.gz MAIZWUVVCGPGPG-AWEZNQCLSA-N 2 0 338.452 -0.085 20 0 EBADRP CN(CC[NH2+]CCCN1C(=O)CNC1=O)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001317600389 822171496 /nfs/dbraw/zinc/17/14/96/822171496.db2.gz IFLFLDBAKYDUKC-CYBMUJFWSA-N 2 0 339.440 -0.539 20 0 EBADRP CN(CC[NH2+]C[C@H](O)Cn1cccn1)C(=O)C12CCC[NH+]1CCC2 ZINC001317605941 822175103 /nfs/dbraw/zinc/17/51/03/822175103.db2.gz UJUJTQLLBTVIOQ-HNNXBMFYSA-N 2 0 335.452 -0.080 20 0 EBADRP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1cc(=O)n2[n-]ccc2n1 ZINC001317649873 822191924 /nfs/dbraw/zinc/19/19/24/822191924.db2.gz LQGYDUXVTPVRAU-UHFFFAOYSA-N 2 0 334.424 -0.088 20 0 EBADRP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CC(=O)NC(N)=O ZINC001317698357 822202773 /nfs/dbraw/zinc/20/27/73/822202773.db2.gz LXIPZIXMMRNZJQ-ZDUSSCGKSA-N 2 0 341.456 -0.118 20 0 EBADRP C[C@H](COCC(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1)[NH+]1CCCC1 ZINC001106680928 822310819 /nfs/dbraw/zinc/31/08/19/822310819.db2.gz MUXSOCDGHQOFKA-RBSFLKMASA-N 2 0 340.468 -0.343 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106878404 822346599 /nfs/dbraw/zinc/34/65/99/822346599.db2.gz PDVISPTYGZRJFT-HUUCEWRRSA-N 2 0 342.484 -0.273 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C1 ZINC001106910693 822352888 /nfs/dbraw/zinc/35/28/88/822352888.db2.gz KITKSZSRWOZFKW-ZIAGYGMSSA-N 2 0 348.513 -0.439 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001128545468 828473222 /nfs/dbraw/zinc/47/32/22/828473222.db2.gz YGJOLUCYTHTLQJ-KBPBESRZSA-N 2 0 346.447 -0.475 20 0 EBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001129333983 828599862 /nfs/dbraw/zinc/59/98/62/828599862.db2.gz KSSXAULHXYJPKM-NWDGAFQWSA-N 2 0 327.429 -0.747 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129337336 828600667 /nfs/dbraw/zinc/60/06/67/828600667.db2.gz CAFHJZQRNCLGAJ-ZNMIVQPWSA-N 2 0 338.456 -0.004 20 0 EBADRP C[NH+](C)C1(C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)CCC1 ZINC001129351958 828603373 /nfs/dbraw/zinc/60/33/73/828603373.db2.gz SCIAMQFSFWWUQC-UHFFFAOYSA-N 2 0 326.441 -0.528 20 0 EBADRP CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129449132 828621548 /nfs/dbraw/zinc/62/15/48/828621548.db2.gz ISCGFERGHGWSHR-MRXNPFEDSA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C[N@H+](C)C1CCC1)C(=O)NC[C@@H]1CCCO1 ZINC001129535359 828631933 /nfs/dbraw/zinc/63/19/33/828631933.db2.gz OGNWBDWICSHOOP-ZFWWWQNUSA-N 2 0 340.468 -0.140 20 0 EBADRP C[N@H+](CC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1)C1CCC1 ZINC001129532073 828630890 /nfs/dbraw/zinc/63/08/90/828630890.db2.gz PUJPMGSFAOCETJ-UHFFFAOYSA-N 2 0 325.413 -0.835 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CC(=O)Nc1cnccn1 ZINC001129856057 828682625 /nfs/dbraw/zinc/68/26/25/828682625.db2.gz MSJIXRBBHGSNDE-CYBMUJFWSA-N 2 0 334.424 -0.005 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001129856572 828682671 /nfs/dbraw/zinc/68/26/71/828682671.db2.gz UMCMTDQDLWSQRX-LSDHHAIUSA-N 2 0 340.468 -0.138 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1)[NH+](C)C ZINC001129947171 828698419 /nfs/dbraw/zinc/69/84/19/828698419.db2.gz MSQDIYOWODJXRM-HIFRSBDPSA-N 2 0 328.457 -0.426 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CC(=O)NCc1cccnc1)[NH+](C)C ZINC001129947251 828698535 /nfs/dbraw/zinc/69/85/35/828698535.db2.gz QTNZDUOHTCLTDH-INIZCTEOSA-N 2 0 335.452 -0.010 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)[NH+](C)C ZINC001129949948 828699230 /nfs/dbraw/zinc/69/92/30/828699230.db2.gz KWUINHISXIFXOL-KGLIPLIRSA-N 2 0 348.513 -0.440 20 0 EBADRP CCOCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129983370 828707417 /nfs/dbraw/zinc/70/74/17/828707417.db2.gz ZFFHRUNIUDFSDY-CABCVRRESA-N 2 0 338.456 -0.002 20 0 EBADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1n1ccnn1 ZINC001129983320 828707672 /nfs/dbraw/zinc/70/76/72/828707672.db2.gz XEWIUFJIXHLGCI-MCIONIFRSA-N 2 0 336.440 -0.658 20 0 EBADRP Cn1cc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2n2ccnn2)cn1 ZINC001129992081 828709512 /nfs/dbraw/zinc/70/95/12/828709512.db2.gz KMKHNYFDENDDFQ-CABCVRRESA-N 2 0 346.439 -0.495 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1 ZINC001130074709 828727658 /nfs/dbraw/zinc/72/76/58/828727658.db2.gz GBTVJVNMFGOZQJ-CABCVRRESA-N 2 0 338.456 -0.002 20 0 EBADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130095083 828731424 /nfs/dbraw/zinc/73/14/24/828731424.db2.gz ZRVWXVCEFBNCTG-KFWWJZLASA-N 2 0 338.456 -0.268 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130097055 828732350 /nfs/dbraw/zinc/73/23/50/828732350.db2.gz ZUMMHIJBKMJCPL-CABCVRRESA-N 2 0 338.456 -0.266 20 0 EBADRP O=C(C[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2)N1CCOCC1 ZINC001130169938 828743850 /nfs/dbraw/zinc/74/38/50/828743850.db2.gz KKOBWOGHZHBUEX-UHFFFAOYSA-N 2 0 338.452 -0.573 20 0 EBADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122943 828736549 /nfs/dbraw/zinc/73/65/49/828736549.db2.gz COODIVMVOZWCQK-ZNMIVQPWSA-N 2 0 336.440 -0.392 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)[NH+](C)C ZINC001130203774 828755260 /nfs/dbraw/zinc/75/52/60/828755260.db2.gz XFYWMQMGQNCOEE-CHWSQXEVSA-N 2 0 334.486 -0.686 20 0 EBADRP CN1CC[C@@H]([NH2+]CCNC(=O)C(C)(C)C[NH+]2CCOCC2)C1=O ZINC001130231754 828761311 /nfs/dbraw/zinc/76/13/11/828761311.db2.gz FMFFDIHGSHAYPX-CYBMUJFWSA-N 2 0 326.441 -0.719 20 0 EBADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939483 825349163 /nfs/dbraw/zinc/34/91/63/825349163.db2.gz CHRANGWYLKCACG-VBQJREDUSA-N 2 0 340.468 -0.201 20 0 EBADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111938281 825349575 /nfs/dbraw/zinc/34/95/75/825349575.db2.gz UNUJROSZITVNBP-YOEHRIQHSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCOCCO)C1 ZINC001112159873 825395415 /nfs/dbraw/zinc/39/54/15/825395415.db2.gz FKXRDNXICJVLRK-VXGBXAGGSA-N 2 0 341.374 -0.074 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001130296913 828777126 /nfs/dbraw/zinc/77/71/26/828777126.db2.gz FBEZGXIEFUYZQN-KGLIPLIRSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)NC(=O)NC1CC1 ZINC001130305568 828778382 /nfs/dbraw/zinc/77/83/82/828778382.db2.gz FIGQBLWZAMSNQP-WCQYABFASA-N 2 0 339.440 -0.447 20 0 EBADRP C[NH+](C)CCC(=O)NCc1c[nH]nc1[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001130414993 828821063 /nfs/dbraw/zinc/82/10/63/828821063.db2.gz BJBKZUZIOSQWKW-TZMCWYRMSA-N 2 0 348.451 -0.345 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001211091787 837385324 /nfs/dbraw/zinc/38/53/24/837385324.db2.gz OQMVBGYHEBCFGD-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP CC(=O)NCCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC001114041986 826121501 /nfs/dbraw/zinc/12/15/01/826121501.db2.gz VBEGTCYNKGWSJG-XUWVNRHRSA-N 2 0 338.452 -0.720 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCOCCO)C[C@H]21 ZINC001114368376 826222051 /nfs/dbraw/zinc/22/20/51/826222051.db2.gz KVLSAWFSLRRVGO-QXSJWSMHSA-N 2 0 325.453 -0.084 20 0 EBADRP C[NH+](C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]21)C1CC1 ZINC001114404692 826235956 /nfs/dbraw/zinc/23/59/56/826235956.db2.gz FXLUFMHZKLNQHZ-IXKJSCDLSA-N 2 0 348.447 -0.478 20 0 EBADRP C[C@H]1[C@@H]([NH2+][C@H]2CCN(C)C2=O)CCN1C(=O)COCC[NH+](C)C ZINC001179934017 833027567 /nfs/dbraw/zinc/02/75/67/833027567.db2.gz RLHNBWQFRIRLDQ-IHRRRGAJSA-N 2 0 326.441 -0.626 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001114488564 826264040 /nfs/dbraw/zinc/26/40/40/826264040.db2.gz PDAMNFHDZWADRT-KZVDOYCCSA-N 2 0 336.436 -0.432 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)[C@@H]1C ZINC001179987309 833031330 /nfs/dbraw/zinc/03/13/30/833031330.db2.gz PMSXJFGWWOEKBN-KBPBESRZSA-N 2 0 325.457 -0.068 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)Nc2cnccn2)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001180124725 833045334 /nfs/dbraw/zinc/04/53/34/833045334.db2.gz PDJYQYRMMXQALS-IHRRRGAJSA-N 2 0 346.435 -0.054 20 0 EBADRP CC(=O)NCCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115241831 826467676 /nfs/dbraw/zinc/46/76/76/826467676.db2.gz PFKKNXZZEWKXFR-QLPKVWCKSA-N 2 0 338.452 -0.719 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)[C@@H]1C ZINC001180226874 833059799 /nfs/dbraw/zinc/05/97/99/833059799.db2.gz RIBFNQHNYLLZHK-GJZGRUSLSA-N 2 0 340.468 -0.236 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001180226691 833060345 /nfs/dbraw/zinc/06/03/45/833060345.db2.gz GXHKWZVXFQYRCK-WOPDTQHZSA-N 2 0 327.429 -0.511 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001180226884 833060374 /nfs/dbraw/zinc/06/03/74/833060374.db2.gz RQZIIKTVDMAMLY-AGIUHOORSA-N 2 0 341.456 -0.250 20 0 EBADRP CC[C@@H](C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCCCC1)[NH+](C)C ZINC001115734502 826576756 /nfs/dbraw/zinc/57/67/56/826576756.db2.gz QDFNYIFXSNQVJQ-LBPRGKRZSA-N 2 0 341.456 -0.070 20 0 EBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)CN2CC[NH+](C(C)C)CC2)O1 ZINC001180351205 833076401 /nfs/dbraw/zinc/07/64/01/833076401.db2.gz SJCPHELUDCOJMX-BFYDXBDKSA-N 2 0 342.484 -0.147 20 0 EBADRP COC(=O)[C@H]1CN(C)CCN1C(=O)CN1CC[NH+](C(C)C)CC1 ZINC001180346980 833075369 /nfs/dbraw/zinc/07/53/69/833075369.db2.gz QBSNYCMZVGSZAK-CQSZACIVSA-N 2 0 326.441 -0.672 20 0 EBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180611126 833095988 /nfs/dbraw/zinc/09/59/88/833095988.db2.gz CCXAMFPQMZORGC-UHFFFAOYSA-N 3 0 340.472 -0.362 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)C[C@H]1C[NH3+] ZINC001118265621 826893106 /nfs/dbraw/zinc/89/31/06/826893106.db2.gz UHWCYVVZCCXDHR-LXTVHRRPSA-N 2 0 340.468 -0.202 20 0 EBADRP COCCNC(=O)C1CC[NH+](CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC001119305833 827097990 /nfs/dbraw/zinc/09/79/90/827097990.db2.gz HAZPETDPXFDSBK-UHFFFAOYSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119427452 827108442 /nfs/dbraw/zinc/10/84/42/827108442.db2.gz PZOVESSFANAION-IHRRRGAJSA-N 2 0 326.441 -0.591 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001120420327 827215978 /nfs/dbraw/zinc/21/59/78/827215978.db2.gz JOWBLWPFLVUYIE-MELADBBJSA-N 2 0 326.441 -0.578 20 0 EBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)C[C@@H]2C1 ZINC001120434960 827220007 /nfs/dbraw/zinc/22/00/07/827220007.db2.gz VBUNUSQXTGNMDQ-LXTVHRRPSA-N 2 0 338.452 -0.720 20 0 EBADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)n(C)n1 ZINC001181674812 833173674 /nfs/dbraw/zinc/17/36/74/833173674.db2.gz SFRBSJCWGGRQKB-KGLIPLIRSA-N 2 0 348.451 -0.048 20 0 EBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)Cn1nc(Cl)ccc1=O ZINC001181895800 833188401 /nfs/dbraw/zinc/18/84/01/833188401.db2.gz IHHSCDNCRDDADH-UHFFFAOYSA-N 2 0 328.804 -0.039 20 0 EBADRP CCOC(=O)CC1([NH3+])CCN(C(=O)C2(O)CC[NH+](C)CC2)CC1 ZINC001182036868 833196386 /nfs/dbraw/zinc/19/63/86/833196386.db2.gz KWVDOPZMSRAXBH-UHFFFAOYSA-N 2 0 327.425 -0.284 20 0 EBADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001121952744 827490626 /nfs/dbraw/zinc/49/06/26/827490626.db2.gz LWQOESIEAMJGKG-XJKSGUPXSA-N 2 0 327.425 -0.509 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C1CC2(CC(NC(=O)COCC[NH+](C)C)C2)C1 ZINC001122064342 827514533 /nfs/dbraw/zinc/51/45/33/827514533.db2.gz ZEQXTONFRMGOKH-VZHDMLGISA-N 2 0 340.468 -0.284 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001182473331 833235597 /nfs/dbraw/zinc/23/55/97/833235597.db2.gz PPXWIBILENUNEX-NEPJUHHUSA-N 2 0 325.413 -0.755 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001182473334 833236107 /nfs/dbraw/zinc/23/61/07/833236107.db2.gz PPXWIBILENUNEX-VXGBXAGGSA-N 2 0 325.413 -0.755 20 0 EBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC001123548601 827715176 /nfs/dbraw/zinc/71/51/76/827715176.db2.gz CXJXYVIWFJVRGN-ILXRZTDVSA-N 2 0 337.468 -0.922 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C2)CC[N@@H+]1C ZINC001182676961 833252228 /nfs/dbraw/zinc/25/22/28/833252228.db2.gz UCWUGRRTFJRIQI-MGPQQGTHSA-N 2 0 346.497 -0.592 20 0 EBADRP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124866561 827969150 /nfs/dbraw/zinc/96/91/50/827969150.db2.gz FVAFYUHQDNMBFY-OLZOCXBDSA-N 2 0 341.456 -0.343 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001124878850 827974081 /nfs/dbraw/zinc/97/40/81/827974081.db2.gz PVSJZGXGYBOIMZ-HUUCEWRRSA-N 2 0 338.452 -0.576 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001183039433 833277757 /nfs/dbraw/zinc/27/77/57/833277757.db2.gz KBKRHJNGGAENBL-KGLIPLIRSA-N 2 0 346.497 -0.400 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001183228306 833284180 /nfs/dbraw/zinc/28/41/80/833284180.db2.gz GDGUJLNPNGIMGM-MLGOLLRUSA-N 2 0 341.456 -0.403 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001183266905 833285203 /nfs/dbraw/zinc/28/52/03/833285203.db2.gz HQXGEJINHAGEIG-ZBFHGGJFSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001183418784 833290143 /nfs/dbraw/zinc/29/01/43/833290143.db2.gz WGPBNBFKFVOFTK-JJRVBVJISA-N 2 0 340.468 -0.486 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001183392597 833289124 /nfs/dbraw/zinc/28/91/24/833289124.db2.gz YRSVFELDZFXJCH-KGLIPLIRSA-N 2 0 346.497 -0.400 20 0 EBADRP COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183435920 833290628 /nfs/dbraw/zinc/29/06/28/833290628.db2.gz HYNCCEDOJWCGKY-OAGGEKHMSA-N 2 0 345.484 -0.213 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COCCOC)C1)[NH+](C)C ZINC001183582431 833296054 /nfs/dbraw/zinc/29/60/54/833296054.db2.gz ZGHOCLIGQLPAOY-RBSFLKMASA-N 2 0 331.457 -0.459 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001183611484 833296541 /nfs/dbraw/zinc/29/65/41/833296541.db2.gz RFWLVMNWXCBYTG-CYBMUJFWSA-N 2 0 326.441 -0.719 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001183646993 833298017 /nfs/dbraw/zinc/29/80/17/833298017.db2.gz APEFVCKREWQKSE-CHWSQXEVSA-N 2 0 332.470 -0.790 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001183759923 833305132 /nfs/dbraw/zinc/30/51/32/833305132.db2.gz RNAVWGXZMSFRPC-CYBMUJFWSA-N 2 0 348.513 -0.201 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1cnccn1 ZINC001127066386 828247082 /nfs/dbraw/zinc/24/70/82/828247082.db2.gz NAIKTJPOOYTQOF-ZDUSSCGKSA-N 2 0 334.424 -0.006 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001127081736 828248595 /nfs/dbraw/zinc/24/85/95/828248595.db2.gz AHHVWOSXSHTVKB-LBPRGKRZSA-N 2 0 325.413 -0.883 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127256111 828269449 /nfs/dbraw/zinc/26/94/49/828269449.db2.gz MJRLMJQLUFDTNP-UONOGXRCSA-N 2 0 346.497 -0.494 20 0 EBADRP CN(CC[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1)S(C)(=O)=O ZINC001127257466 828269998 /nfs/dbraw/zinc/26/99/98/828269998.db2.gz YLBLPEUMVZZSRK-ZIAGYGMSSA-N 2 0 346.497 -0.542 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2)NC1CCOCC1 ZINC001127474702 828296723 /nfs/dbraw/zinc/29/67/23/828296723.db2.gz NYYOHXPTPWUYHC-HNNXBMFYSA-N 2 0 338.452 -0.671 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127481530 828297951 /nfs/dbraw/zinc/29/79/51/828297951.db2.gz UOUDVKSAIXIHRU-AWEZNQCLSA-N 2 0 346.497 -0.685 20 0 EBADRP O=C(NCC[NH2+]CC1CCS(=O)(=O)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001127481189 828298222 /nfs/dbraw/zinc/29/82/22/828298222.db2.gz QQZWAZJFDXWRHW-OAHLLOKOSA-N 2 0 343.493 -0.141 20 0 EBADRP COCCOCC[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127558432 828302772 /nfs/dbraw/zinc/30/27/72/828302772.db2.gz MYCXYCAWRVEJAD-UHFFFAOYSA-N 2 0 327.429 -0.573 20 0 EBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571190 828303369 /nfs/dbraw/zinc/30/33/69/828303369.db2.gz NEQWXADGCLXLDQ-ZBFHGGJFSA-N 2 0 340.468 -0.425 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)Nc1ncccn1 ZINC001127639066 828309788 /nfs/dbraw/zinc/30/97/88/828309788.db2.gz TXCYIMRGFTWRDZ-JHJVBQTASA-N 2 0 334.424 -0.150 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127659830 828313341 /nfs/dbraw/zinc/31/33/41/828313341.db2.gz MUFKWBJORPERBQ-MGPQQGTHSA-N 2 0 328.457 -0.426 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)CC[N@@H+]1C ZINC001127700702 828316487 /nfs/dbraw/zinc/31/64/87/828316487.db2.gz AZFDCIAJGOFHNN-SOUVJXGZSA-N 2 0 340.468 -0.594 20 0 EBADRP CCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127777703 828326096 /nfs/dbraw/zinc/32/60/96/828326096.db2.gz BGIZSRIQZJSPPX-UONOGXRCSA-N 2 0 326.441 -0.528 20 0 EBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127786227 828331987 /nfs/dbraw/zinc/33/19/87/828331987.db2.gz WTEKPPRTXIEMIU-KGLIPLIRSA-N 2 0 326.441 -0.672 20 0 EBADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001184432884 833330092 /nfs/dbraw/zinc/33/00/92/833330092.db2.gz ANNYWWHKEQCUQL-CLPSQLOGSA-N 2 0 339.436 -0.953 20 0 EBADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001130618205 828902624 /nfs/dbraw/zinc/90/26/24/828902624.db2.gz WJOOVKRFZMCBNV-UHFFFAOYSA-N 2 0 327.429 -0.460 20 0 EBADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001130622411 828902638 /nfs/dbraw/zinc/90/26/38/828902638.db2.gz HLVAMQZDVARLKF-UHFFFAOYSA-N 2 0 348.513 -0.106 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001130654288 828906938 /nfs/dbraw/zinc/90/69/38/828906938.db2.gz DHBCJQSRSGZDKW-GXTWGEPZSA-N 2 0 348.451 -0.869 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001130710795 828920808 /nfs/dbraw/zinc/92/08/08/828920808.db2.gz FMJNERQKMOLGEZ-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130713051 828921069 /nfs/dbraw/zinc/92/10/69/828921069.db2.gz AGIKNLKARNJBFC-MRXNPFEDSA-N 2 0 342.484 -0.035 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)C(=O)NC(N)=O ZINC001184806950 833340588 /nfs/dbraw/zinc/34/05/88/833340588.db2.gz MIMAKQAVJTZHKB-NWDGAFQWSA-N 2 0 339.440 -0.365 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130875003 828985481 /nfs/dbraw/zinc/98/54/81/828985481.db2.gz YYISXDVZEMDKPC-UHFFFAOYSA-N 2 0 325.394 -0.797 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130874980 828985675 /nfs/dbraw/zinc/98/56/75/828985675.db2.gz XTIZONSBWDJELP-UHFFFAOYSA-N 2 0 339.421 -0.407 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001184876540 833342452 /nfs/dbraw/zinc/34/24/52/833342452.db2.gz JOOXVOIDOZJOMG-RBSFLKMASA-N 2 0 338.452 -0.576 20 0 EBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001185072203 833346136 /nfs/dbraw/zinc/34/61/36/833346136.db2.gz FFMIKBQHEBPBOR-STQMWFEESA-N 2 0 338.456 -0.366 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001185249517 833351446 /nfs/dbraw/zinc/35/14/46/833351446.db2.gz ZDLKWKXMRIPCDX-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185401872 833357897 /nfs/dbraw/zinc/35/78/97/833357897.db2.gz XNPKYXKMYUMMKG-CHWSQXEVSA-N 2 0 341.456 -0.249 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001185650058 833364983 /nfs/dbraw/zinc/36/49/83/833364983.db2.gz BFIUMVGGZMHMRA-GOEBONIOSA-N 2 0 340.468 -0.186 20 0 EBADRP Cn1ccc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)cc1=O ZINC001131519614 829150908 /nfs/dbraw/zinc/15/09/08/829150908.db2.gz HOPYIRGWYPVNLY-SWKXRBFHSA-N 2 0 346.431 -0.546 20 0 EBADRP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)nn1 ZINC001131520276 829151916 /nfs/dbraw/zinc/15/19/16/829151916.db2.gz WQYPPCJGFRHDPV-TVIZTDCDSA-N 2 0 347.419 -0.446 20 0 EBADRP O=C(NCC[NH2+]C[C@@H]1CCc2ncnn21)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131521789 829154247 /nfs/dbraw/zinc/15/42/47/829154247.db2.gz HSICVQGQSAULBL-YRTQGLMCSA-N 2 0 346.435 -0.666 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1)C(N)=O ZINC001131564913 829159782 /nfs/dbraw/zinc/15/97/82/829159782.db2.gz XIWJEFYPLINQIX-XPKDYRNWSA-N 2 0 340.468 -0.202 20 0 EBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@]2(CC[N@H+](CCOCCO)C2)O1 ZINC001131682359 829184877 /nfs/dbraw/zinc/18/48/77/829184877.db2.gz NOCTWYLVYKFBGT-RDJZCZTQSA-N 2 0 343.468 -0.361 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790814 829217704 /nfs/dbraw/zinc/21/77/04/829217704.db2.gz WHNNBQWNZSYDFQ-YPMHNXCESA-N 2 0 339.440 -0.589 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790201 829217848 /nfs/dbraw/zinc/21/78/48/829217848.db2.gz IGTGFBDZGPALRO-INIZCTEOSA-N 2 0 340.468 -0.281 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186311939 833396427 /nfs/dbraw/zinc/39/64/27/833396427.db2.gz XVNCBEOXOZNGTK-UONOGXRCSA-N 2 0 338.452 -0.589 20 0 EBADRP C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CCN1CCNC1=O ZINC001132277108 829404489 /nfs/dbraw/zinc/40/44/89/829404489.db2.gz AWICVNFKIFWNAU-KBPBESRZSA-N 2 0 325.457 -0.068 20 0 EBADRP CC(C)(C(=O)NCC[NH2+]CC(=O)N1CCOCC1)[NH+]1CCCC1 ZINC001132284059 829405711 /nfs/dbraw/zinc/40/57/11/829405711.db2.gz UIBAWJCHPAZZKV-UHFFFAOYSA-N 2 0 326.441 -0.575 20 0 EBADRP CC(C)(C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O)[NH+]1CCCC1 ZINC001132283944 829406186 /nfs/dbraw/zinc/40/61/86/829406186.db2.gz PMNDQDCTYFIAPU-AWEZNQCLSA-N 2 0 340.468 -0.450 20 0 EBADRP O=C(N1C[C@@H](C[NH2+]CCO)C2(C1)CCOCC2)C12CC[NH+](CC1)C2 ZINC001186544540 833405223 /nfs/dbraw/zinc/40/52/23/833405223.db2.gz FHBGTNGYTBEVIJ-OAHLLOKOSA-N 2 0 337.464 -0.081 20 0 EBADRP O=C(N1C[C@H](C[NH2+]CCO)C2(C1)CCOCC2)C12CC[NH+](CC1)C2 ZINC001186544539 833405257 /nfs/dbraw/zinc/40/52/57/833405257.db2.gz FHBGTNGYTBEVIJ-HNNXBMFYSA-N 2 0 337.464 -0.081 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@@H]([NH2+]CCOCCO)C1 ZINC001211093356 837387251 /nfs/dbraw/zinc/38/72/51/837387251.db2.gz WMVBIMKXMUXANO-JKSUJKDBSA-N 2 0 343.468 -0.456 20 0 EBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848314 829532759 /nfs/dbraw/zinc/53/27/59/829532759.db2.gz DUDVAQUMLMGCDF-CQSZACIVSA-N 2 0 328.457 -0.426 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001132844872 829533470 /nfs/dbraw/zinc/53/34/70/829533470.db2.gz XEGBYEJOVYOEDJ-CQSZACIVSA-N 2 0 326.441 -0.578 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCCO[C@@H]2CCOC2)C1 ZINC001132848556 829534742 /nfs/dbraw/zinc/53/47/42/829534742.db2.gz KRKNUJDRCJSDHS-CVEARBPZSA-N 2 0 343.468 -0.003 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001132852124 829536955 /nfs/dbraw/zinc/53/69/55/829536955.db2.gz IAXFRJAQULSZCH-OCCSQVGLSA-N 2 0 326.441 -0.532 20 0 EBADRP COc1nccc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC001132859115 829539808 /nfs/dbraw/zinc/53/98/08/829539808.db2.gz WMDILEQMOBCVEU-CQSZACIVSA-N 2 0 337.424 -0.200 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2cnccn2)CC[N@@H+]1C ZINC001132886431 829545076 /nfs/dbraw/zinc/54/50/76/829545076.db2.gz MIBKZKMPOJFQKF-STQMWFEESA-N 2 0 334.424 -0.149 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132985679 829567902 /nfs/dbraw/zinc/56/79/02/829567902.db2.gz NJBHDOCZVIBXTK-JTQLQIEISA-N 2 0 339.396 -0.495 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CC1)C(=O)Nc1ncccn1 ZINC001132993421 829568737 /nfs/dbraw/zinc/56/87/37/829568737.db2.gz SZKFHBVBZRQIHM-LBPRGKRZSA-N 2 0 334.424 -0.149 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133051856 829578779 /nfs/dbraw/zinc/57/87/79/829578779.db2.gz RVIFNWSVRYJVGF-GFCCVEGCSA-N 2 0 329.445 -0.343 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001133090277 829582386 /nfs/dbraw/zinc/58/23/86/829582386.db2.gz FPCYRZSVJCJKJI-QWHCGFSZSA-N 2 0 341.456 -0.532 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC001133285903 829615065 /nfs/dbraw/zinc/61/50/65/829615065.db2.gz NSFLSPRFWIXZGU-KBPBESRZSA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH+]1CCC(C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)CC1 ZINC001133287929 829615717 /nfs/dbraw/zinc/61/57/17/829615717.db2.gz PXZBGNISBREXPO-UHFFFAOYSA-N 2 0 332.470 -0.931 20 0 EBADRP CNS(=O)(=O)c1ccc(C[NH2+]CCNC(=O)CC[NH+](C)C)cc1 ZINC001133288221 829615938 /nfs/dbraw/zinc/61/59/38/829615938.db2.gz SFWQCBWEKDQQFA-UHFFFAOYSA-N 2 0 342.465 -0.248 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCCO1 ZINC001133286149 829616212 /nfs/dbraw/zinc/61/62/12/829616212.db2.gz ZOPIAFIOMVYJPD-HIFRSBDPSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)Nc1ccccc1C(N)=O ZINC001133297330 829617635 /nfs/dbraw/zinc/61/76/35/829617635.db2.gz KLQAJCSWYZHMOK-UHFFFAOYSA-N 2 0 335.408 -0.619 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+]CCN1C(=O)CCC1=O)[NH+](CC)CC ZINC001133690415 829662094 /nfs/dbraw/zinc/66/20/94/829662094.db2.gz KVYREYYGYXXMIY-CYBMUJFWSA-N 2 0 326.441 -0.038 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001133819977 829679396 /nfs/dbraw/zinc/67/93/96/829679396.db2.gz UIBUZOZJIIGUCO-ZIAGYGMSSA-N 2 0 326.441 -0.528 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133834243 829681328 /nfs/dbraw/zinc/68/13/28/829681328.db2.gz RZBXFXBGUHUPJA-KBPBESRZSA-N 2 0 328.457 -0.282 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001133845524 829685284 /nfs/dbraw/zinc/68/52/84/829685284.db2.gz IAKOBJAKCREVQX-UONOGXRCSA-N 2 0 331.482 -0.141 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)NC(=O)NC1CC1 ZINC001133849610 829686458 /nfs/dbraw/zinc/68/64/58/829686458.db2.gz AMFFHENVGFPYMO-VXGBXAGGSA-N 2 0 339.440 -0.589 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133853686 829686892 /nfs/dbraw/zinc/68/68/92/829686892.db2.gz OMTADQDRXAYGLM-NWDGAFQWSA-N 2 0 327.429 -0.732 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133853685 829686984 /nfs/dbraw/zinc/68/69/84/829686984.db2.gz OMTADQDRXAYGLM-NEPJUHHUSA-N 2 0 327.429 -0.732 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001133851021 829687005 /nfs/dbraw/zinc/68/70/05/829687005.db2.gz UZMPJKIDWZKYNY-GJZGRUSLSA-N 2 0 343.468 -0.410 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001133849717 829687523 /nfs/dbraw/zinc/68/75/23/829687523.db2.gz CKNHQYMOCDCUKJ-ZIAGYGMSSA-N 2 0 326.441 -0.813 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001133864158 829689986 /nfs/dbraw/zinc/68/99/86/829689986.db2.gz WAIFCWFDVLPMOQ-QWHCGFSZSA-N 2 0 337.472 -0.126 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C[N@@H+]2CCC(C)(C)C2)CCO1 ZINC001133896938 829695417 /nfs/dbraw/zinc/69/54/17/829695417.db2.gz WMQUKLDTMXHZTN-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@H+](CC(=O)NCC[NH2+]CC(=O)NC1CCOCC1)CC(C)(C)C ZINC001133899692 829696310 /nfs/dbraw/zinc/69/63/10/829696310.db2.gz SJPWBHUPQHXYEJ-UHFFFAOYSA-N 2 0 342.484 -0.035 20 0 EBADRP CN(CC[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C)S(C)(=O)=O ZINC001133906213 829696568 /nfs/dbraw/zinc/69/65/68/829696568.db2.gz QKSHNSSQMCZCMD-UHFFFAOYSA-N 2 0 336.502 -0.439 20 0 EBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)COC[C@H](C)[NH+]2CCCC2)C1=O ZINC001134021231 829714301 /nfs/dbraw/zinc/71/43/01/829714301.db2.gz VNTZHQOBQIATIC-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001134392667 829764021 /nfs/dbraw/zinc/76/40/21/829764021.db2.gz WLVQAKMERHZNBD-STQMWFEESA-N 2 0 338.456 -0.323 20 0 EBADRP CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001134392664 829764662 /nfs/dbraw/zinc/76/46/62/829764662.db2.gz WLVQAKMERHZNBD-CHWSQXEVSA-N 2 0 338.456 -0.323 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)C[N@H+](C)C1CCC1)[NH2+]CCNS(C)(=O)=O ZINC001134606946 829802105 /nfs/dbraw/zinc/80/21/05/829802105.db2.gz BPCZJNLJXTVUKE-OLZOCXBDSA-N 2 0 348.513 -0.107 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001134613263 829804474 /nfs/dbraw/zinc/80/44/74/829804474.db2.gz UKERFGMNYLFBLM-GHMZBOCLSA-N 2 0 327.429 -0.462 20 0 EBADRP CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001134737068 829836674 /nfs/dbraw/zinc/83/66/74/829836674.db2.gz NHHGHDANWWBCTL-KGLIPLIRSA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1)[NH2+]CC(N)=O ZINC001134736368 829837212 /nfs/dbraw/zinc/83/72/12/829837212.db2.gz DATGBLJTCHKPDP-OLZOCXBDSA-N 2 0 328.457 -0.297 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001134756479 829839847 /nfs/dbraw/zinc/83/98/47/829839847.db2.gz FQVDKWQPYDSEOR-HZPDHXFCSA-N 2 0 345.484 -0.019 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001134762965 829840769 /nfs/dbraw/zinc/84/07/69/829840769.db2.gz IXYUAJVOXCWGFC-CQSZACIVSA-N 2 0 348.513 -0.154 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001134766705 829841932 /nfs/dbraw/zinc/84/19/32/829841932.db2.gz LKBOLEIGAUHRLW-HOTGVXAUSA-N 2 0 345.484 -0.021 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001134767499 829843295 /nfs/dbraw/zinc/84/32/95/829843295.db2.gz ZHSZXWCSXNIPPT-STQMWFEESA-N 2 0 341.456 -0.201 20 0 EBADRP C[NH+]1CCC(CC(=O)NCC[NH2+]CC(=O)NC2CCOCC2)CC1 ZINC001134775946 829843770 /nfs/dbraw/zinc/84/37/70/829843770.db2.gz DWNVKIMAMLBCGH-UHFFFAOYSA-N 2 0 340.468 -0.281 20 0 EBADRP C[NH+]1CCC(CC(=O)NCC[NH2+]CC(=O)N2CCOCC2)CC1 ZINC001134780778 829845490 /nfs/dbraw/zinc/84/54/90/829845490.db2.gz WFHICQIHSHEUQJ-UHFFFAOYSA-N 2 0 326.441 -0.717 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135103036 829898091 /nfs/dbraw/zinc/89/80/91/829898091.db2.gz SOADOFCQOCYIHF-KGLIPLIRSA-N 2 0 346.497 -0.352 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135103228 829898277 /nfs/dbraw/zinc/89/82/77/829898277.db2.gz YBDUEGXDDHHFEU-STQMWFEESA-N 2 0 332.470 -0.742 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NCC[NH2+]CCCS(C)(=O)=O)cn1 ZINC001135118447 829900531 /nfs/dbraw/zinc/90/05/31/829900531.db2.gz NHICXRCWYRNNKL-UHFFFAOYSA-N 2 0 345.469 -0.801 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NCC[NH2+]C[C@H]2CCc3ncnn32)cn1 ZINC001135119160 829901074 /nfs/dbraw/zinc/90/10/74/829901074.db2.gz XWJSHHXWQGPDDX-CQSZACIVSA-N 2 0 346.439 -0.457 20 0 EBADRP Cn1nccc1CC[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135119061 829901344 /nfs/dbraw/zinc/90/13/44/829901344.db2.gz WDPFIEPQRMHWLN-UHFFFAOYSA-N 2 0 333.440 -0.260 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)[NH2+]CCNS(C)(=O)=O ZINC001135298768 829941427 /nfs/dbraw/zinc/94/14/27/829941427.db2.gz OZZADHXQPLAGQG-OLZOCXBDSA-N 2 0 348.513 -0.250 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135297851 829941627 /nfs/dbraw/zinc/94/16/27/829941627.db2.gz IDUQPNWXVLPVGF-VXGBXAGGSA-N 2 0 341.456 -0.343 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135372627 829955233 /nfs/dbraw/zinc/95/52/33/829955233.db2.gz RQMWBDBATSBAGH-ZIAGYGMSSA-N 2 0 330.473 -0.036 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CCCN1C(=O)CNC1=O)NC(=O)CC[NH+](C)C ZINC001135371768 829955641 /nfs/dbraw/zinc/95/56/41/829955641.db2.gz ITQFLPFJLLYPFR-QWHCGFSZSA-N 2 0 341.456 -0.247 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135370816 829955814 /nfs/dbraw/zinc/95/58/14/829955814.db2.gz BDCLBVMRQAPSGE-UONOGXRCSA-N 2 0 330.473 -0.036 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135372624 829955819 /nfs/dbraw/zinc/95/58/19/829955819.db2.gz RQMWBDBATSBAGH-UONOGXRCSA-N 2 0 330.473 -0.036 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001135513770 829980184 /nfs/dbraw/zinc/98/01/84/829980184.db2.gz YDTBRIKLSJXPLH-LLVKDONJSA-N 2 0 327.429 -0.589 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135702679 830013137 /nfs/dbraw/zinc/01/31/37/830013137.db2.gz NDKXZGSXWPHDAG-UHFFFAOYSA-N 2 0 334.486 -0.637 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)COC1CC[NH+](C)CC1 ZINC001135804451 830027709 /nfs/dbraw/zinc/02/77/09/830027709.db2.gz KGKUUVMAXTXPAK-LSDHHAIUSA-N 2 0 345.484 -0.021 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001135861408 830035600 /nfs/dbraw/zinc/03/56/00/830035600.db2.gz QJZCSCWZPJNTJT-RYUDHWBXSA-N 2 0 329.445 -0.343 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC1CC1)NC(=O)COCC[NH+](C)C ZINC001135924101 830047238 /nfs/dbraw/zinc/04/72/38/830047238.db2.gz QOSVQNWPRMQQPJ-KBPBESRZSA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)COCC[NH+](C)C ZINC001135923432 830048062 /nfs/dbraw/zinc/04/80/62/830048062.db2.gz KBSGCTGYQFJQOK-VXGBXAGGSA-N 2 0 342.444 -0.941 20 0 EBADRP C[C@@H](C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1)CS(C)(=O)=O ZINC001135963256 830052976 /nfs/dbraw/zinc/05/29/76/830052976.db2.gz CYQCRRVLXDGDCB-ZDUSSCGKSA-N 2 0 349.497 -0.516 20 0 EBADRP CN(CC(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2)C(N)=[NH2+] ZINC001144132527 830159584 /nfs/dbraw/zinc/15/95/84/830159584.db2.gz VIOGZRCWPOVKNY-UHFFFAOYSA-N 2 0 330.392 -0.332 20 0 EBADRP CN(CC(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1)C(N)=[NH2+] ZINC001144132536 830159657 /nfs/dbraw/zinc/15/96/57/830159657.db2.gz VQIYTOAQGAXGRK-LSDHHAIUSA-N 2 0 346.435 -0.291 20 0 EBADRP CN(CC(=O)n1cc(Br)ccc1=NCC[NH3+])C(N)=[NH2+] ZINC001144141909 830159761 /nfs/dbraw/zinc/15/97/61/830159761.db2.gz HWFKDVCNSSZLBS-UHFFFAOYSA-N 2 0 329.202 -0.425 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N1CCOCC1 ZINC001146340462 830193287 /nfs/dbraw/zinc/19/32/87/830193287.db2.gz QDZPBYYQAWDABL-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146341541 830193451 /nfs/dbraw/zinc/19/34/51/830193451.db2.gz ZDWZHFRLCRQOKU-QWHCGFSZSA-N 2 0 341.456 -0.199 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001146599613 830211672 /nfs/dbraw/zinc/21/16/72/830211672.db2.gz CIWGLYIHEAXJKM-QWHCGFSZSA-N 2 0 336.502 -0.251 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC001146710289 830221100 /nfs/dbraw/zinc/22/11/00/830221100.db2.gz JTPGHPKJSGNJQD-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001146709776 830222038 /nfs/dbraw/zinc/22/20/38/830222038.db2.gz DIHCRTZEEATTTA-HUUCEWRRSA-N 2 0 331.457 -0.410 20 0 EBADRP CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)CC[N@H+](C)CC ZINC001146711447 830222344 /nfs/dbraw/zinc/22/23/44/830222344.db2.gz SEYJNNLTDWZTEC-UHFFFAOYSA-N 2 0 343.472 -0.981 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)NCC(=O)NC(C)(C)C ZINC001146719249 830222715 /nfs/dbraw/zinc/22/27/15/830222715.db2.gz MVZFNFIMTAECNA-UHFFFAOYSA-N 2 0 343.472 -0.935 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C ZINC001146712037 830223157 /nfs/dbraw/zinc/22/31/57/830223157.db2.gz ZZGKWDGPGPVLCJ-LBPRGKRZSA-N 2 0 329.445 -0.343 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001147409425 830337820 /nfs/dbraw/zinc/33/78/20/830337820.db2.gz CURUDEDSHOCVRG-KRWDZBQOSA-N 2 0 349.435 -0.375 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C)C(=O)NC(N)=O ZINC001147430088 830343444 /nfs/dbraw/zinc/34/34/44/830343444.db2.gz YLVYMZLOJZXFOJ-YVEFUNNKSA-N 2 0 349.435 -0.247 20 0 EBADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001147835746 830417437 /nfs/dbraw/zinc/41/74/37/830417437.db2.gz VHQYSNBVTDAQNB-UONOGXRCSA-N 2 0 325.457 -0.162 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001147884933 830426156 /nfs/dbraw/zinc/42/61/56/830426156.db2.gz INJJZAQMPBQAHV-KBPBESRZSA-N 2 0 331.482 -0.141 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC001147886352 830426511 /nfs/dbraw/zinc/42/65/11/830426511.db2.gz VFTOJGHLTYQHAO-ZDUSSCGKSA-N 2 0 328.457 -0.330 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001147899900 830428464 /nfs/dbraw/zinc/42/84/64/830428464.db2.gz BYOJPHGMNIEXPK-CABCVRRESA-N 2 0 343.468 -0.410 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001147899882 830428742 /nfs/dbraw/zinc/42/87/42/830428742.db2.gz BIBXRFXAMYVPIN-LBPRGKRZSA-N 2 0 339.440 -0.636 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)NC(=O)NC1CC1 ZINC001147900627 830428840 /nfs/dbraw/zinc/42/88/40/830428840.db2.gz SWJOHNRIZWXKKR-NWDGAFQWSA-N 2 0 339.440 -0.589 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)C[C@H](C)O1 ZINC001147995062 830435009 /nfs/dbraw/zinc/43/50/09/830435009.db2.gz XMFUMCXIEBNLFZ-OKILXGFUSA-N 2 0 338.452 -0.576 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147999686 830436497 /nfs/dbraw/zinc/43/64/97/830436497.db2.gz CLHCKXUIEKNEAU-GFCCVEGCSA-N 2 0 339.440 -0.589 20 0 EBADRP Cc1nn(C)c(C)c1NC(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001148001029 830436564 /nfs/dbraw/zinc/43/65/64/830436564.db2.gz WTYPSYZWJLHJOG-UHFFFAOYSA-N 2 0 348.451 -0.223 20 0 EBADRP O=C(NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1)C12CC[NH+](CC1)C2 ZINC001147999839 830436692 /nfs/dbraw/zinc/43/66/92/830436692.db2.gz FWQWRNNJPMRTNS-GJZGRUSLSA-N 2 0 341.452 -0.656 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C12CC[NH+](CC1)C2)C(=O)NC(=O)NC1CC1 ZINC001148000691 830436701 /nfs/dbraw/zinc/43/67/01/830436701.db2.gz UXDMDFVBONYEFX-NSHDSACASA-N 2 0 337.424 -0.835 20 0 EBADRP C[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](C[C@H]1CCS(=O)(=O)C1)C2 ZINC001148216316 830457785 /nfs/dbraw/zinc/45/77/85/830457785.db2.gz MXCCHYGVYFKYSN-CQSZACIVSA-N 2 0 343.493 -0.093 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148352134 830474076 /nfs/dbraw/zinc/47/40/76/830474076.db2.gz BKFXXLUWZYAFMB-LBPRGKRZSA-N 2 0 329.445 -0.342 20 0 EBADRP COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148360514 830475374 /nfs/dbraw/zinc/47/53/74/830475374.db2.gz WIGHWSNREULQBF-HUUCEWRRSA-N 2 0 333.473 -0.164 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148365226 830475472 /nfs/dbraw/zinc/47/54/72/830475472.db2.gz LPMJZDXATGZHDV-UHFFFAOYSA-N 2 0 336.502 -0.294 20 0 EBADRP C[NH+](C)CCCCC(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001148365444 830477020 /nfs/dbraw/zinc/47/70/20/830477020.db2.gz QEMFHZMVZWBXLS-HNNXBMFYSA-N 2 0 345.484 -0.019 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)Nc1ccccc1C(N)=O ZINC001148638729 830522172 /nfs/dbraw/zinc/52/21/72/830522172.db2.gz PABWTXHUHYSPOF-UHFFFAOYSA-N 2 0 349.435 -0.228 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001148642700 830522571 /nfs/dbraw/zinc/52/25/71/830522571.db2.gz LPPUSIJMYPTXFR-LLVKDONJSA-N 2 0 329.363 -0.026 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+]([C@H]1CCC(=O)NC1=O)C2 ZINC001148651394 830523402 /nfs/dbraw/zinc/52/34/02/830523402.db2.gz FHYXTGJVXQWDJO-ZDUSSCGKSA-N 2 0 336.436 -0.332 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001148654870 830524146 /nfs/dbraw/zinc/52/41/46/830524146.db2.gz CQQNKTRBZHFANK-NSHDSACASA-N 2 0 327.429 -0.589 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC001148656089 830525351 /nfs/dbraw/zinc/52/53/51/830525351.db2.gz UXTPPXPABRFLTI-UHFFFAOYSA-N 2 0 341.456 -0.246 20 0 EBADRP COCCOCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001149400283 830658765 /nfs/dbraw/zinc/65/87/65/830658765.db2.gz VOVVGHSUBRJUMW-JKSUJKDBSA-N 2 0 343.468 -0.049 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1C[NH+](C[C@@H](O)COC)CCCO1 ZINC001149937498 830786105 /nfs/dbraw/zinc/78/61/05/830786105.db2.gz TXEIZEGMQCEXLK-CABCVRRESA-N 2 0 345.484 -0.069 20 0 EBADRP C[NH+]1CCC(OCC(=O)NC[C@@H]2C[N@H+](CCCO)CCCO2)CC1 ZINC001150508518 830919220 /nfs/dbraw/zinc/91/92/20/830919220.db2.gz VGCPOINQFMJJOC-MRXNPFEDSA-N 2 0 343.468 -0.313 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H]1C[NH+](CCn2cncn2)CCCO1 ZINC001150546592 830929069 /nfs/dbraw/zinc/92/90/69/830929069.db2.gz HAFKCUPOHDLADZ-HNNXBMFYSA-N 2 0 338.456 -0.173 20 0 EBADRP C[NH+](C)CCOCC(=O)NC[C@H]1C[N@H+](C[C@H]2CCOC2)CCCO1 ZINC001150588613 830939648 /nfs/dbraw/zinc/93/96/48/830939648.db2.gz PTPQKHBKOUWODN-CVEARBPZSA-N 2 0 343.468 -0.192 20 0 EBADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@@H](O)COC)CCCO1 ZINC001150625061 830948067 /nfs/dbraw/zinc/94/80/67/830948067.db2.gz IEEZYEVIBHEUME-HZPDHXFCSA-N 2 0 345.484 -0.067 20 0 EBADRP COCCC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCN([C@@H](C)C(N)=O)CC1 ZINC001151027167 831011796 /nfs/dbraw/zinc/01/17/96/831011796.db2.gz PVYXVJOWAHYYQZ-UONOGXRCSA-N 2 0 340.468 -0.058 20 0 EBADRP COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151064389 831018185 /nfs/dbraw/zinc/01/81/85/831018185.db2.gz BDFDGWACMSVTQF-CYBMUJFWSA-N 2 0 335.470 -0.905 20 0 EBADRP Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)[C@@H]3CC[N@H+](C)C3)C2=O)cn1 ZINC001151064730 831019745 /nfs/dbraw/zinc/01/97/45/831019745.db2.gz DRSBJAGAZPKPPQ-TZMCWYRMSA-N 2 0 334.424 -0.817 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NCCOc2ccccc2)C1 ZINC001151066313 831020150 /nfs/dbraw/zinc/02/01/50/831020150.db2.gz SIYYYAORBACPPK-HNNXBMFYSA-N 2 0 348.447 -0.161 20 0 EBADRP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151066329 831021054 /nfs/dbraw/zinc/02/10/54/831021054.db2.gz SSHUFQBRGLWWDK-CHWSQXEVSA-N 2 0 341.456 -0.486 20 0 EBADRP CC(C)N1CC[C@@H]([NH2+]CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1=O ZINC001151156439 831032433 /nfs/dbraw/zinc/03/24/33/831032433.db2.gz CLXJVHMGTDEBJD-LSDHHAIUSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]CC(=O)Nc1cnccn1 ZINC001152136925 831133916 /nfs/dbraw/zinc/13/39/16/831133916.db2.gz ISGPZZSYKLECFQ-BETUJISGSA-N 2 0 334.424 -0.006 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152340221 831153629 /nfs/dbraw/zinc/15/36/29/831153629.db2.gz JFHGCEDXOGOGIN-HNNXBMFYSA-N 2 0 331.457 -0.408 20 0 EBADRP O=C(CC[NH+]1CCCCC1)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001152340695 831153874 /nfs/dbraw/zinc/15/38/74/831153874.db2.gz UPJPFAOOXIVACV-UHFFFAOYSA-N 2 0 340.468 -0.137 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001152444903 831163376 /nfs/dbraw/zinc/16/33/76/831163376.db2.gz BFOVIPUCUHUGPI-OLZOCXBDSA-N 2 0 341.456 -0.199 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001152445621 831164651 /nfs/dbraw/zinc/16/46/51/831164651.db2.gz KODGWIJVWVSYOB-OAHLLOKOSA-N 2 0 340.468 -0.138 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCNS(=O)(=O)CC ZINC001152458161 831165515 /nfs/dbraw/zinc/16/55/15/831165515.db2.gz LTGPPKDTZWJNFJ-CYBMUJFWSA-N 2 0 334.486 -0.494 20 0 EBADRP [NH3+]Cc1cn(-c2cc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)cn1 ZINC001154907088 831371859 /nfs/dbraw/zinc/37/18/59/831371859.db2.gz VCMNQZCZPZPNOM-UHFFFAOYSA-N 2 0 345.407 -0.206 20 0 EBADRP CC[N@H+](CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154909042 831372278 /nfs/dbraw/zinc/37/22/78/831372278.db2.gz JHCVKOAKUASEBA-CYBMUJFWSA-N 2 0 341.456 -0.293 20 0 EBADRP c1ncc(N2CC[NH2+]CC2)nc1NCc1nnc2n1CCC[NH2+]C2 ZINC001155431103 831405795 /nfs/dbraw/zinc/40/57/95/831405795.db2.gz YUBDNSQJWUYPOQ-UHFFFAOYSA-N 2 0 329.412 -0.417 20 0 EBADRP O=C(c1cccnc1NC[C@]12C[NH2+]C[C@H]1COC2)N1CC[NH2+]CC1 ZINC001155515284 831410765 /nfs/dbraw/zinc/41/07/65/831410765.db2.gz BJFONUYOXRPSRG-GUYCJALGSA-N 2 0 331.420 -0.225 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC1CCOCC1 ZINC001155791055 831429717 /nfs/dbraw/zinc/42/97/17/831429717.db2.gz RMLHFFOFPZUVSU-CQSZACIVSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)Nc1ncccn1 ZINC001155791271 831430332 /nfs/dbraw/zinc/43/03/32/831430332.db2.gz UXUXCOQCEIJGPB-STQMWFEESA-N 2 0 334.424 -0.006 20 0 EBADRP Cn1cc(N2CC[C@@H]([NH2+]CCCNC(=O)[C@@H]3CCC[N@@H+]3C)C2=O)cn1 ZINC001155813555 831432219 /nfs/dbraw/zinc/43/22/19/831432219.db2.gz SDKXHADAXUCSJW-CABCVRRESA-N 2 0 348.451 -0.285 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001155821790 831433046 /nfs/dbraw/zinc/43/30/46/831433046.db2.gz CINJWVLOMRSQEY-ZBFHGGJFSA-N 2 0 343.468 -0.267 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155822156 831433521 /nfs/dbraw/zinc/43/35/21/831433521.db2.gz JXTOAEXBDVUALF-KGLIPLIRSA-N 2 0 328.457 -0.282 20 0 EBADRP CC[N@H+](C[C@H](O)COC)[C@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001156907402 831513913 /nfs/dbraw/zinc/51/39/13/831513913.db2.gz BISBBSBGUJFRCQ-OAGGEKHMSA-N 2 0 345.484 -0.211 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@H]1C[NH2+]Cc2cccn2C1 ZINC001157324067 831554193 /nfs/dbraw/zinc/55/41/93/831554193.db2.gz CLGGNZDQUBXDDV-ZFWWWQNUSA-N 2 0 335.452 -0.043 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001157324546 831554975 /nfs/dbraw/zinc/55/49/75/831554975.db2.gz ZWUAAKYTJZFKMR-XEZPLFJOSA-N 2 0 326.441 -0.495 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)[C@H]1CCC2(C[NH2+]C2)O1)C(=O)N1CCCC1 ZINC001157370418 831561139 /nfs/dbraw/zinc/56/11/39/831561139.db2.gz AOXJSOFEGXWDGX-UONOGXRCSA-N 2 0 338.452 -0.256 20 0 EBADRP C[NH+]1CCC(O)(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)CC1 ZINC001157370678 831561334 /nfs/dbraw/zinc/56/13/34/831561334.db2.gz FSERNPWLAWKRKG-AWEZNQCLSA-N 2 0 340.468 -0.321 20 0 EBADRP CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001157413788 831564238 /nfs/dbraw/zinc/56/42/38/831564238.db2.gz OZCROPRNDGQMTK-HNNXBMFYSA-N 2 0 331.420 -0.199 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)NCCNC(=O)C(F)(F)Br ZINC001157435346 831565820 /nfs/dbraw/zinc/56/58/20/831565820.db2.gz YGCAQNJUZROEIB-ZETCQYMHSA-N 2 0 345.188 -0.337 20 0 EBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001157715646 831587174 /nfs/dbraw/zinc/58/71/74/831587174.db2.gz HSMKYFXRUXJZDV-UONOGXRCSA-N 2 0 333.436 -0.419 20 0 EBADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)CC1 ZINC001157740969 831589487 /nfs/dbraw/zinc/58/94/87/831589487.db2.gz RLBPZRYHMVWSNP-DGCLKSJQSA-N 2 0 333.429 -0.557 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001157894105 831602932 /nfs/dbraw/zinc/60/29/32/831602932.db2.gz RKZLIVAECRIGKL-ZDUSSCGKSA-N 2 0 339.440 -0.493 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001157894321 831602994 /nfs/dbraw/zinc/60/29/94/831602994.db2.gz ZMEDTGDZEUPXQK-AWEZNQCLSA-N 2 0 348.513 -0.106 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCc2[nH]cnc2C1 ZINC001157922118 831608674 /nfs/dbraw/zinc/60/86/74/831608674.db2.gz FBHMSZHISITKRQ-WFASDCNBSA-N 2 0 348.451 -0.258 20 0 EBADRP Cn1[nH]c(C[NH2+]CCCNC(=O)C(C)(C)[NH+]2CCCCC2)nc1=O ZINC001158073068 831624838 /nfs/dbraw/zinc/62/48/38/831624838.db2.gz HAQIXSONNAWUJQ-UHFFFAOYSA-N 2 0 338.456 -0.031 20 0 EBADRP O=C(C[C@@H]1C[NH2+]Cc2cccn2C1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091933 831627106 /nfs/dbraw/zinc/62/71/06/831627106.db2.gz KMAJVPUMIQZAPS-DYVFJYSZSA-N 2 0 331.420 -0.712 20 0 EBADRP O=C(c1csc([C@H]2CCC[NH2+]2)n1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102519 831628029 /nfs/dbraw/zinc/62/80/29/831628029.db2.gz SYPZXRLZRIFCEH-MEBBXXQBSA-N 2 0 335.433 -0.128 20 0 EBADRP O=C(c1cccnc1O[C@@H]1CC[NH2+]C1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158101258 831628146 /nfs/dbraw/zinc/62/81/46/831628146.db2.gz IKSPRGCXTMBWKO-SJKOYZFVSA-N 2 0 345.403 -0.874 20 0 EBADRP [NH3+]C1(C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)Cc2ccccc2C1 ZINC001158121357 831631227 /nfs/dbraw/zinc/63/12/27/831631227.db2.gz RVPFTDGCLXFVNJ-GOSISDBHSA-N 2 0 340.427 -0.579 20 0 EBADRP O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158160793 831632781 /nfs/dbraw/zinc/63/27/81/831632781.db2.gz MCRZCYCLNGVENJ-XJKSGUPXSA-N 2 0 345.451 -0.331 20 0 EBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@@H]2C(=O)Nc3ccccc3[C@H]2C1 ZINC001158180350 831636879 /nfs/dbraw/zinc/63/68/79/831636879.db2.gz YNAKICHHZXHYCR-RDBSUJKOSA-N 2 0 326.400 -0.010 20 0 EBADRP [NH3+]CC12CC(C1)CN2C(=O)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1 ZINC001158190467 831638032 /nfs/dbraw/zinc/63/80/32/831638032.db2.gz HCESLWJNHWNKIZ-WKXXDYOBSA-N 2 0 342.403 -0.047 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158202372 831638850 /nfs/dbraw/zinc/63/88/50/831638850.db2.gz SDTCZOYCXIHZRB-DGCLKSJQSA-N 2 0 339.440 -0.732 20 0 EBADRP COCCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158195722 831638990 /nfs/dbraw/zinc/63/89/90/831638990.db2.gz CQWRIGXXEUCNSA-OAHLLOKOSA-N 2 0 340.468 -0.423 20 0 EBADRP O=C(C[C@@H]1C[NH2+]CC1(F)F)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277665 831642794 /nfs/dbraw/zinc/64/27/94/831642794.db2.gz RHMBKLUVBFVXBU-LLVKDONJSA-N 2 0 340.378 -0.056 20 0 EBADRP Cn1cnnc1C[NH2+]CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001158275445 831642963 /nfs/dbraw/zinc/64/29/63/831642963.db2.gz VBFSLCYODYGNSP-UHFFFAOYSA-N 2 0 334.428 -0.517 20 0 EBADRP [NH3+]C1(CC(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)CCOCC1 ZINC001158277942 831643135 /nfs/dbraw/zinc/64/31/35/831643135.db2.gz YFCWVKIGLOZKMP-UHFFFAOYSA-N 2 0 334.424 -0.403 20 0 EBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001158287512 831643484 /nfs/dbraw/zinc/64/34/84/831643484.db2.gz FXOXQHHOLBLRQL-ZDUSSCGKSA-N 2 0 327.429 -0.839 20 0 EBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCC[NH2+]CC(N)=O)CC1 ZINC001158282182 831643960 /nfs/dbraw/zinc/64/39/60/831643960.db2.gz MUOPZAQLCHVSPP-HIFRSBDPSA-N 2 0 326.441 -0.686 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCOC2)CC[N@@H+]1C ZINC001158379494 831650594 /nfs/dbraw/zinc/65/05/94/831650594.db2.gz ASUBMXXBZQORMO-QLFBSQMISA-N 2 0 340.468 -0.425 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]C[C@H]2CCS(=O)(=O)C2)CC[N@@H+]1C ZINC001158428326 831654480 /nfs/dbraw/zinc/65/44/80/831654480.db2.gz DHYMLVWMTKUMGL-MGPQQGTHSA-N 2 0 331.482 -0.143 20 0 EBADRP CCCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158486277 831658557 /nfs/dbraw/zinc/65/85/57/831658557.db2.gz IVCSXOQXXLOMGY-HUUCEWRRSA-N 2 0 340.468 -0.138 20 0 EBADRP CCCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158486276 831658658 /nfs/dbraw/zinc/65/86/58/831658658.db2.gz IVCSXOQXXLOMGY-GJZGRUSLSA-N 2 0 340.468 -0.138 20 0 EBADRP CCn1ncc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001158487270 831659750 /nfs/dbraw/zinc/65/97/50/831659750.db2.gz XNIQSOSYIQZYKO-GJZGRUSLSA-N 2 0 336.440 -0.243 20 0 EBADRP COc1nccc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001158486661 831659796 /nfs/dbraw/zinc/65/97/96/831659796.db2.gz QLLDWMVESXXLDT-CABCVRRESA-N 2 0 349.435 -0.056 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@]1(C)CC[NH2+]C[C@@H]1O ZINC001158496291 831661134 /nfs/dbraw/zinc/66/11/34/831661134.db2.gz MDWWTLCYEUGDJJ-CQUYNDQOSA-N 2 0 325.409 -0.901 20 0 EBADRP COCCOCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158508897 831661948 /nfs/dbraw/zinc/66/19/48/831661948.db2.gz YBBYHRVDFXFRFR-HUUCEWRRSA-N 2 0 329.441 -0.392 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)c1noc2c1C[NH2+]CC2 ZINC001158505850 831662078 /nfs/dbraw/zinc/66/20/78/831662078.db2.gz GGCTYRGPPAVXNA-ZMLRMANQSA-N 2 0 334.376 -0.314 20 0 EBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158533264 831663311 /nfs/dbraw/zinc/66/33/11/831663311.db2.gz JGVVCBHCICQKML-SFDCQRBFSA-N 2 0 342.465 -0.880 20 0 EBADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@@H](N)CC[NH3+])CC2)CC1 ZINC001158513675 831663328 /nfs/dbraw/zinc/66/33/28/831663328.db2.gz PHWMYTYJLAVKMI-HNNXBMFYSA-N 2 0 340.468 -0.071 20 0 EBADRP O=C(c1cnc2n1CC[NH2+]CC2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158545417 831664403 /nfs/dbraw/zinc/66/44/03/831664403.db2.gz CTXNEZDXJOIUAB-OGHNNQOOSA-N 2 0 331.420 -0.378 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158579613 831668048 /nfs/dbraw/zinc/66/80/48/831668048.db2.gz VUNCJNXNCJQQKR-FDYHWXHSSA-N 2 0 327.400 -0.080 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@@H]1CCNC1=O ZINC001158750547 831682680 /nfs/dbraw/zinc/68/26/80/831682680.db2.gz MHSJVOQTDNYPME-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP [NH3+]CCC[NH2+]CC(=O)N1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001158810081 831688624 /nfs/dbraw/zinc/68/86/24/831688624.db2.gz BVSGCIWFOWYBEA-RRFJBIMHSA-N 2 0 338.452 -0.447 20 0 EBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001158890384 831693897 /nfs/dbraw/zinc/69/38/97/831693897.db2.gz DAPHVOSUKJMYPR-AWEZNQCLSA-N 3 0 339.484 -0.354 20 0 EBADRP N[C@@H](CC[NH3+])C(=O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158903200 831694738 /nfs/dbraw/zinc/69/47/38/831694738.db2.gz MUPPMNJNAUEJIL-DETPVDSQSA-N 2 0 337.399 -0.249 20 0 EBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158900208 831694913 /nfs/dbraw/zinc/69/49/13/831694913.db2.gz ASWGQUCMPJKZJF-MYLCLEHYSA-N 2 0 349.410 -0.379 20 0 EBADRP N[C@@H](CC[NH3+])C(=O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158903206 831695017 /nfs/dbraw/zinc/69/50/17/831695017.db2.gz MUPPMNJNAUEJIL-PVXIVEMSSA-N 2 0 337.399 -0.249 20 0 EBADRP CCO[C@@H]1CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)[C@@H]2CCCO[C@H]12 ZINC001159084442 831708349 /nfs/dbraw/zinc/70/83/49/831708349.db2.gz KWVUYACAZQGJOZ-JJXSEGSLSA-N 2 0 340.468 -0.468 20 0 EBADRP CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@H](CCCC[NH3+])[NH2+]C)C[C@H]21 ZINC001159108975 831709435 /nfs/dbraw/zinc/70/94/35/831709435.db2.gz KCMHWNYEVPQVOB-CBBWQLFWSA-N 2 0 340.468 -0.297 20 0 EBADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@H]([NH3+])Cc2cnc[nH]2)C1 ZINC001159132603 831711338 /nfs/dbraw/zinc/71/13/38/831711338.db2.gz BPKIABKESYITSP-GXTWGEPZSA-N 2 0 331.424 -0.304 20 0 EBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159157825 831712693 /nfs/dbraw/zinc/71/26/93/831712693.db2.gz JUBZYTSDAOYLEU-GJZGRUSLSA-N 2 0 333.436 -0.414 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001159155062 831712843 /nfs/dbraw/zinc/71/28/43/831712843.db2.gz HUUUHWLKXWMHID-CYBMUJFWSA-N 2 0 331.436 -0.213 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001159155849 831712885 /nfs/dbraw/zinc/71/28/85/831712885.db2.gz UVNQQQLTNNRPGV-AWEZNQCLSA-N 2 0 348.463 -0.085 20 0 EBADRP O=C(CN1CC[NH2+]CC1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159161063 831713670 /nfs/dbraw/zinc/71/36/70/831713670.db2.gz WOKMOYWNIIGOFA-UHFFFAOYSA-N 2 0 346.479 -0.231 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001159355512 831743959 /nfs/dbraw/zinc/74/39/59/831743959.db2.gz FSDUNMHWCMLEEX-QWHCGFSZSA-N 2 0 341.456 -0.199 20 0 EBADRP CCN1C[C@H]2CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC[C@H]2S1(=O)=O ZINC001159403139 831749788 /nfs/dbraw/zinc/74/97/88/831749788.db2.gz HAXHMUGIRKTHEY-HZSPNIEDSA-N 2 0 346.497 -0.285 20 0 EBADRP [NH3+]C[C@H](O)CC(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159403947 831749856 /nfs/dbraw/zinc/74/98/56/831749856.db2.gz RVCMLXOTSFJJTN-RFQIPJPRSA-N 2 0 335.408 -0.856 20 0 EBADRP [NH3+]CCCNCC(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159401813 831750021 /nfs/dbraw/zinc/75/00/21/831750021.db2.gz CXHFGYPBDGXEAB-SOUVJXGZSA-N 2 0 348.451 -0.628 20 0 EBADRP N[C@]1(C(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)CC[NH2+]C1 ZINC001159403605 831750431 /nfs/dbraw/zinc/75/04/31/831750431.db2.gz QBTTVDOLFSXZIT-SZOQZIPDSA-N 2 0 346.435 -0.875 20 0 EBADRP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H](N)C[NH3+])CCC2 ZINC001159481194 831756160 /nfs/dbraw/zinc/75/61/60/831756160.db2.gz JEIBEEATQVHAKZ-ZDUSSCGKSA-N 2 0 336.440 -0.898 20 0 EBADRP Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C3)n1 ZINC001159472030 831756181 /nfs/dbraw/zinc/75/61/81/831756181.db2.gz NGJRWZYLUBOSEQ-UHIISALHSA-N 2 0 341.437 -0.876 20 0 EBADRP [NH3+]CCC[NH2+]CC(=O)N1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001159625703 831766688 /nfs/dbraw/zinc/76/66/88/831766688.db2.gz ZHLNCKFXYJVIQV-MGPQQGTHSA-N 2 0 340.424 -0.763 20 0 EBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159665302 831770571 /nfs/dbraw/zinc/77/05/71/831770571.db2.gz JGIKDLZZMTTZGT-NXOAAHMSSA-N 2 0 346.431 -0.394 20 0 EBADRP CCN1C(C)=N[C@@]2(CC[C@@H]3CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C[C@@H]32)C1=O ZINC001159687930 831773285 /nfs/dbraw/zinc/77/32/85/831773285.db2.gz LTMVIWIZHDOMBS-XJIUQZFPSA-N 2 0 335.452 -0.060 20 0 EBADRP [NH3+]CCC[NH2+]CC(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 ZINC001159748087 831778814 /nfs/dbraw/zinc/77/88/14/831778814.db2.gz YELZFQJWNQYEIB-RHSMWYFYSA-N 2 0 338.452 -0.541 20 0 EBADRP CCOC(=O)c1cnc(N2CCOCC2)nc1N[C@H]([NH3+])CCC[NH3+] ZINC001159786973 831782053 /nfs/dbraw/zinc/78/20/53/831782053.db2.gz OWESYBYJVXWVTG-LBPRGKRZSA-N 2 0 338.412 -0.075 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001159839061 831787884 /nfs/dbraw/zinc/78/78/84/831787884.db2.gz SVMAEZZZCBBGQU-ZDUSSCGKSA-N 2 0 341.456 -0.484 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O)C1CC1 ZINC001159925051 831798737 /nfs/dbraw/zinc/79/87/37/831798737.db2.gz NUCVXHHXBUMMEH-HOCLYGCPSA-N 2 0 340.468 -0.594 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@H](C2CC2)[NH+](C)C)CCO1 ZINC001159931815 831798972 /nfs/dbraw/zinc/79/89/72/831798972.db2.gz JIBWKSBNRWWAMG-BBRMVZONSA-N 2 0 340.468 -0.330 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159932460 831799380 /nfs/dbraw/zinc/79/93/80/831799380.db2.gz RSFGBLKCZXLPFT-ZYHUDNBSSA-N 2 0 327.429 -0.733 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159931497 831799614 /nfs/dbraw/zinc/79/96/14/831799614.db2.gz DZVLNXDSRUZTNR-DZGCQCFKSA-N 2 0 342.484 -0.036 20 0 EBADRP C[N@H+](CC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1)C1CCC1 ZINC001160003490 831804382 /nfs/dbraw/zinc/80/43/82/831804382.db2.gz QKYAOGLGAJXLIX-CQSZACIVSA-N 2 0 340.468 -0.281 20 0 EBADRP CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@H]([NH3+])C3CC[NH2+]CC3)[C@H]2C1 ZINC001159998809 831804542 /nfs/dbraw/zinc/80/45/42/831804542.db2.gz MEHMNOKRADAVGR-HZSPNIEDSA-N 2 0 344.481 -0.804 20 0 EBADRP N[C@@]1(C(=O)N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)CC[NH2+]C1 ZINC001160139384 831818308 /nfs/dbraw/zinc/81/83/08/831818308.db2.gz YPWLEPRCARYKBO-KPEUIFRASA-N 2 0 345.447 -0.128 20 0 EBADRP CC(=O)NCc1ncn2c1CN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)CCC2 ZINC001160324432 831838340 /nfs/dbraw/zinc/83/83/40/831838340.db2.gz VKASFIOWNVJNMW-MRXNPFEDSA-N 2 0 348.451 -0.422 20 0 EBADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@@H](N)CC[NH3+])CCC2 ZINC001160373372 831841702 /nfs/dbraw/zinc/84/17/02/831841702.db2.gz ZCXHCERMVKBGIV-ZDUSSCGKSA-N 2 0 338.456 -0.630 20 0 EBADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)[C@H]2C[NH2+]CCN2)CC1 ZINC001160391525 831842347 /nfs/dbraw/zinc/84/23/47/831842347.db2.gz ODWXJFOAMVUYRC-CQSZACIVSA-N 2 0 337.468 -0.907 20 0 EBADRP N[C@@H](CC[NH3+])C(=O)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001160405932 831844953 /nfs/dbraw/zinc/84/49/53/831844953.db2.gz MBQSCFZUXOCJPJ-LBPRGKRZSA-N 2 0 344.423 -0.624 20 0 EBADRP CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1nnc2n1CCOC2)[NH+](C)C ZINC001160420990 831847195 /nfs/dbraw/zinc/84/71/95/831847195.db2.gz NRDREULWQDIZLY-HNNXBMFYSA-N 2 0 338.456 -0.010 20 0 EBADRP C[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])CCCNC(=O)c2cnccn2)CC1 ZINC001160456312 831853112 /nfs/dbraw/zinc/85/31/12/831853112.db2.gz HEKMQONEZRVVFB-AWEZNQCLSA-N 2 0 348.451 -0.228 20 0 EBADRP CC(C)NC(=O)CN1CCN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)CC1 ZINC001160484727 831855506 /nfs/dbraw/zinc/85/55/06/831855506.db2.gz AQJRRSAWXBHJCO-HNNXBMFYSA-N 2 0 341.500 -0.286 20 0 EBADRP COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001160493237 831857231 /nfs/dbraw/zinc/85/72/31/831857231.db2.gz LXANSHMPQHGIEP-JBLDHEPKSA-N 2 0 347.437 -0.551 20 0 EBADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160589468 831867237 /nfs/dbraw/zinc/86/72/37/831867237.db2.gz UZLCPQYKEFMWET-KBPBESRZSA-N 2 0 330.388 -0.435 20 0 EBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CC(N2CCN(C)C(=O)C2)C1 ZINC001160634793 831872336 /nfs/dbraw/zinc/87/23/36/831872336.db2.gz DTBMMSQKVCSJJF-HNNXBMFYSA-N 2 0 339.484 -0.533 20 0 EBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001160640664 831874171 /nfs/dbraw/zinc/87/41/71/831874171.db2.gz KWBULNYHACKRDW-LBPRGKRZSA-N 2 0 333.392 -0.353 20 0 EBADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2Oc3ccccc3C23CC[NH2+]CC3)C[C@H]1O ZINC001160652884 831876927 /nfs/dbraw/zinc/87/69/27/831876927.db2.gz PLIAASJOEFJJBP-FMKPAKJESA-N 2 0 331.416 -0.011 20 0 EBADRP [NH3+][C@@H]1CCN(C(=O)c2ccc3c(c2)[C@@H]2C[NH2+]C[C@H]2NC3=O)C[C@H]1O ZINC001160655135 831877022 /nfs/dbraw/zinc/87/70/22/831877022.db2.gz HDHHLHSMKKAOGW-GBJTYRQASA-N 2 0 330.388 -0.981 20 0 EBADRP CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C1(C)COC1 ZINC001160666963 831877842 /nfs/dbraw/zinc/87/78/42/831877842.db2.gz AEVONFFUOGUEIC-STQMWFEESA-N 2 0 326.441 -0.319 20 0 EBADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001160696629 831878467 /nfs/dbraw/zinc/87/84/67/831878467.db2.gz XWMFWGKDQLRAIK-STQMWFEESA-N 2 0 333.440 -0.618 20 0 EBADRP O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001160698882 831878697 /nfs/dbraw/zinc/87/86/97/831878697.db2.gz UFFVMZXABIRMPO-OAHLLOKOSA-N 2 0 342.443 -0.015 20 0 EBADRP COC(=O)[C@H](C)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160718369 831879444 /nfs/dbraw/zinc/87/94/44/831879444.db2.gz HCZUESHKRZBTOU-AVGNSLFASA-N 2 0 342.440 -0.546 20 0 EBADRP O=C(N1CCC2(CC1)CC(=O)NC(=O)C2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160715395 831879509 /nfs/dbraw/zinc/87/95/09/831879509.db2.gz BZVDIMDMQPAFCB-SJKOYZFVSA-N 2 0 334.420 -0.769 20 0 EBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CCC2(CC1)CNC(=O)CO2 ZINC001160771693 831884647 /nfs/dbraw/zinc/88/46/47/831884647.db2.gz DJUPDXCLNIDLFM-AWEZNQCLSA-N 2 0 340.468 -0.010 20 0 EBADRP CCOC(=O)[C@@H]1c2nc[nH]c2CCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160789063 831886310 /nfs/dbraw/zinc/88/63/10/831886310.db2.gz VOBDUKRPJIHOMI-MFKMUULPSA-N 2 0 333.392 -0.792 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C[C@H]3C[NH2+]CCO3)C[C@H]1C2 ZINC001160793671 831887519 /nfs/dbraw/zinc/88/75/19/831887519.db2.gz DWIBDALOTZMLLI-KAHPBISDSA-N 2 0 337.420 -0.778 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)C[C@H]3COCC[NH2+]3)C[C@H]1C[NH2+]CC2 ZINC001160813542 831890174 /nfs/dbraw/zinc/89/01/74/831890174.db2.gz ABWNMJDSOZMZPW-DVOMOZLQSA-N 2 0 325.409 -0.634 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)CC3([NH3+])CCOCC3)C[C@H]1C[NH2+]CC2 ZINC001160812174 831890287 /nfs/dbraw/zinc/89/02/87/831890287.db2.gz JGDVOAJIDHSTNF-CXAGYDPISA-N 2 0 339.436 -0.114 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)CCCCNC(N)=[NH2+])C[C@H]1C[NH2+]CC2 ZINC001160812363 831890530 /nfs/dbraw/zinc/89/05/30/831890530.db2.gz OWMBBMWWEPWNCU-MLGOLLRUSA-N 2 0 339.440 -0.359 20 0 EBADRP COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001160822984 831891552 /nfs/dbraw/zinc/89/15/52/831891552.db2.gz AZQIKKHPPLEEFQ-NEBZKDRISA-N 2 0 338.452 -0.463 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC(Oc2cnccn2)CC1 ZINC001160889768 831903950 /nfs/dbraw/zinc/90/39/50/831903950.db2.gz AVJMPWISPGXODX-OAHLLOKOSA-N 2 0 348.451 -0.403 20 0 EBADRP O=C(c1ccncc1)N1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001160936049 831908435 /nfs/dbraw/zinc/90/84/35/831908435.db2.gz FXBFUXCMAPRPPI-CQSZACIVSA-N 2 0 329.404 -0.825 20 0 EBADRP C[N@@H+]1C[C@@H](C(=O)N2C[C@H]([NH3+])CC(F)(F)C2)OC2(CC[NH2+]CC2)C1 ZINC001160966885 831910807 /nfs/dbraw/zinc/91/08/07/831910807.db2.gz FDCQUOPDYGLTOR-NEPJUHHUSA-N 3 0 332.395 -0.366 20 0 EBADRP [NH3+][C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)CC(F)(F)C1 ZINC001160973427 831911856 /nfs/dbraw/zinc/91/18/56/831911856.db2.gz VJCUMGIHNLLDAO-WOPDTQHZSA-N 2 0 330.379 -0.076 20 0 EBADRP COC(=O)[C@@]1(N)CCN(C(=O)[C@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)C1 ZINC001161137735 831930144 /nfs/dbraw/zinc/93/01/44/831930144.db2.gz GLZSIAKKJAFGCO-SUMWQHHRSA-N 2 0 338.452 -0.447 20 0 EBADRP COC(=O)[C@]1(N)CCN(C(=O)[C@@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)C1 ZINC001161137732 831930378 /nfs/dbraw/zinc/93/03/78/831930378.db2.gz GLZSIAKKJAFGCO-DYVFJYSZSA-N 2 0 338.452 -0.447 20 0 EBADRP CO[C@@H](C[NH3+])C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198754 831937550 /nfs/dbraw/zinc/93/75/50/831937550.db2.gz WXJAJFFBNFTCPX-INIZCTEOSA-N 2 0 342.484 -0.489 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001161226573 831938774 /nfs/dbraw/zinc/93/87/74/831938774.db2.gz JIBKQHGEWWFXTO-AWEZNQCLSA-N 2 0 342.484 -0.204 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001161251550 831941539 /nfs/dbraw/zinc/94/15/39/831941539.db2.gz SLBRDJBTIVGKJY-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP [NH3+][C@H]1CN[C@H](C(=O)N2CCC(N3CCCCS3(=O)=O)CC2)C1 ZINC001161270116 831943654 /nfs/dbraw/zinc/94/36/54/831943654.db2.gz RABANDLNHSYDSD-YPMHNXCESA-N 2 0 330.454 -0.908 20 0 EBADRP CC(C)N(C(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2)[C@H]1CC[NH2+]C1 ZINC001161352644 831950331 /nfs/dbraw/zinc/95/03/31/831950331.db2.gz XWQHJICQHSEZPP-STQMWFEESA-N 2 0 333.440 -0.477 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161381531 831951140 /nfs/dbraw/zinc/95/11/40/831951140.db2.gz PERDNIUQJUCVSI-RRFJBIMHSA-N 2 0 338.452 -0.591 20 0 EBADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161412283 831954928 /nfs/dbraw/zinc/95/49/28/831954928.db2.gz IQPGTHOPMKLISN-FZKCQIBNSA-N 2 0 330.432 -0.132 20 0 EBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C[C@@H]12 ZINC001161413329 831955832 /nfs/dbraw/zinc/95/58/32/831955832.db2.gz PGPQIOIHQQIULD-AAVRWANBSA-N 2 0 341.477 -0.404 20 0 EBADRP C[NH2+][C@H]1CCCN(CC(=O)N(CC[NH+](C)C)[C@@H]2CCC[NH2+]C2)C1 ZINC001161448816 831959156 /nfs/dbraw/zinc/95/91/56/831959156.db2.gz HTJNEJBKVIIMHK-JKSUJKDBSA-N 3 0 325.501 -0.188 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C[C@]1(O)CCC[NH2+]C1)CC2 ZINC001161475991 831962697 /nfs/dbraw/zinc/96/26/97/831962697.db2.gz AFRPIDHBEKTATM-WQVCFCJDSA-N 2 0 325.409 -0.755 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[NH2+]C[C@@H]3CCO[C@@H]31)CC2 ZINC001161478153 831963221 /nfs/dbraw/zinc/96/32/21/831963221.db2.gz HFCYVQPUUKBUAB-SMRWVPHVSA-N 2 0 337.420 -0.636 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)CCCCNC(N)=[NH2+])CC2 ZINC001161477687 831963302 /nfs/dbraw/zinc/96/33/02/831963302.db2.gz FZAZNPUNNLAPSB-IAQYHMDHSA-N 2 0 325.413 -0.607 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1CC[C@H]3[NH2+]CC[C@H]3O1)CC2 ZINC001161481274 831964489 /nfs/dbraw/zinc/96/44/89/831964489.db2.gz XIUNAUXJTMDHQQ-LYUDMSCLSA-N 2 0 337.420 -0.351 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)c1[nH]nc3c1C[NH2+]CC3)CC2 ZINC001161483984 831965125 /nfs/dbraw/zinc/96/51/25/831965125.db2.gz REQNPJNQGYDIRC-WBMJQRKESA-N 2 0 333.392 -0.577 20 0 EBADRP C[C@@]1(C[NH3+])CCCN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)C1 ZINC001161490153 831965741 /nfs/dbraw/zinc/96/57/41/831965741.db2.gz TTXCMSYLKIWHIR-DOMZBBRYSA-N 2 0 333.440 -0.489 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)[C@H]2Cn3ccnc3C23CC[NH2+]CC3)CC12COC2 ZINC001161501110 831966600 /nfs/dbraw/zinc/96/66/00/831966600.db2.gz SLBVBGPWYGFWKS-CHWSQXEVSA-N 2 0 331.420 -0.680 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001161649521 831980298 /nfs/dbraw/zinc/98/02/98/831980298.db2.gz KYYSBKZWQDRXNV-ZDUSSCGKSA-N 2 0 341.456 -0.342 20 0 EBADRP CN(CC[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2)S(C)(=O)=O ZINC001161789781 831992338 /nfs/dbraw/zinc/99/23/38/831992338.db2.gz ZSBSOAVMWLMBID-UHFFFAOYSA-N 2 0 346.497 -0.398 20 0 EBADRP O=C(NCCC[NH2+]C[C@@H](O)Cn1cccn1)C12CCC[NH+]1CCC2 ZINC001161795852 831992435 /nfs/dbraw/zinc/99/24/35/831992435.db2.gz SYRBDYJJIFEHGA-OAHLLOKOSA-N 2 0 335.452 -0.032 20 0 EBADRP Cn1nccc1C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872248 832068773 /nfs/dbraw/zinc/06/87/73/832068773.db2.gz LSDYQZQHMTXJMB-GNHJJJEISA-N 2 0 333.436 -0.121 20 0 EBADRP Cn1nccc1CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872084 832069165 /nfs/dbraw/zinc/06/91/65/832069165.db2.gz GHTRJLWPUOIZLU-HQVVEAJESA-N 2 0 347.463 -0.078 20 0 EBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cncc(OCC[NH+]3CCCC3)n2)N1 ZINC001163240156 832092630 /nfs/dbraw/zinc/09/26/30/832092630.db2.gz XLSOSFPBEACOOV-BLLLJJGKSA-N 2 0 332.408 -0.059 20 0 EBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ccc([C@H]3CC4(C[NH2+]C4)C(=O)N3)cc2)N1 ZINC001163249946 832093187 /nfs/dbraw/zinc/09/31/87/832093187.db2.gz LMZUIEHTACMFBP-QWQRMKEZSA-N 2 0 341.415 -0.173 20 0 EBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cccc3nc([C@@H]4C[NH2+]CCO4)cn32)N1 ZINC001163252787 832094004 /nfs/dbraw/zinc/09/40/04/832094004.db2.gz IRLAFEIWPZNGSI-GDZNZVCISA-N 2 0 342.403 -0.015 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@]1(C)CO ZINC001350199484 832130286 /nfs/dbraw/zinc/13/02/86/832130286.db2.gz FPVPDTUALXGDNL-WMLDXEAASA-N 2 0 342.484 -0.585 20 0 EBADRP [NH3+]CCN(CCO)c1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1 ZINC001163835903 832144550 /nfs/dbraw/zinc/14/45/50/832144550.db2.gz IAMAGLMHJCAXCU-UHFFFAOYSA-N 2 0 342.465 -0.526 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001163851070 832145434 /nfs/dbraw/zinc/14/54/34/832145434.db2.gz FGRAFKMUSKVJAY-GFCCVEGCSA-N 2 0 341.456 -0.199 20 0 EBADRP CN(C(=O)COCC[NH+](C)C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001350657121 832182600 /nfs/dbraw/zinc/18/26/00/832182600.db2.gz BFHHSDXJCVPNQB-GJZGRUSLSA-N 2 0 340.468 -0.282 20 0 EBADRP CN(C(=O)COCC[NH+](C)C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001350657122 832182898 /nfs/dbraw/zinc/18/28/98/832182898.db2.gz BFHHSDXJCVPNQB-HUUCEWRRSA-N 2 0 340.468 -0.282 20 0 EBADRP CN(C(=O)COCC[NH+](C)C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001350745786 832191538 /nfs/dbraw/zinc/19/15/38/832191538.db2.gz WVYWUXDPZMRAIH-CQSZACIVSA-N 2 0 328.457 -0.424 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001164536164 832195214 /nfs/dbraw/zinc/19/52/14/832195214.db2.gz NJYXGSROXUNCMS-ZIAGYGMSSA-N 2 0 328.457 -0.332 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001164535823 832195292 /nfs/dbraw/zinc/19/52/92/832195292.db2.gz HAJMFMUWGLDUPM-HIFRSBDPSA-N 2 0 340.468 -0.141 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCCS(C)(=O)=O)C1 ZINC001164536545 832196167 /nfs/dbraw/zinc/19/61/67/832196167.db2.gz UVHHEMNWVCFUMG-AWEZNQCLSA-N 2 0 349.497 -0.374 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165254059 832208549 /nfs/dbraw/zinc/20/85/49/832208549.db2.gz MKMQIGPLHWTFPE-LBPRGKRZSA-N 2 0 341.456 -0.342 20 0 EBADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001165263670 832209248 /nfs/dbraw/zinc/20/92/48/832209248.db2.gz UDKZQPKWLCXFBD-ZDUSSCGKSA-N 2 0 331.482 -0.141 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001350991345 832210191 /nfs/dbraw/zinc/21/01/91/832210191.db2.gz VVLVRLLOEKNTPL-CHWSQXEVSA-N 2 0 336.440 -0.255 20 0 EBADRP C[NH+](C)CCCC(=O)NCCC[NH2+]CC(=O)NC1CCOCC1 ZINC001165367300 832217676 /nfs/dbraw/zinc/21/76/76/832217676.db2.gz QRKWRIDPRNCRHU-UHFFFAOYSA-N 2 0 328.457 -0.281 20 0 EBADRP COC[C@@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165359742 832217685 /nfs/dbraw/zinc/21/76/85/832217685.db2.gz ILKVMXHSQHOLQU-HUUCEWRRSA-N 2 0 333.473 -0.164 20 0 EBADRP COC(=O)[C@@H]1C[NH2+]CCN1c1ccc(OCC2CC[NH2+]CC2)nn1 ZINC001165442283 832219986 /nfs/dbraw/zinc/21/99/86/832219986.db2.gz IPDRQHPNVLHIBA-ZDUSSCGKSA-N 2 0 335.408 -0.194 20 0 EBADRP CC[C@H](C(=O)NCCC1(C[NH2+]CCNS(C)(=O)=O)CC1)[NH+](C)C ZINC001165717929 832234518 /nfs/dbraw/zinc/23/45/18/832234518.db2.gz AESFERJVZBJQSP-CYBMUJFWSA-N 2 0 348.513 -0.248 20 0 EBADRP CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165781148 832237360 /nfs/dbraw/zinc/23/73/60/832237360.db2.gz ILMCJVLACYTQJE-UHFFFAOYSA-N 2 0 338.456 -0.574 20 0 EBADRP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165788410 832237537 /nfs/dbraw/zinc/23/75/37/832237537.db2.gz JXRZFZWZRBZOCE-CYBMUJFWSA-N 2 0 343.472 -0.096 20 0 EBADRP CCOCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165788310 832237682 /nfs/dbraw/zinc/23/76/82/832237682.db2.gz DVDFLDIHLUMPEY-AWEZNQCLSA-N 2 0 330.473 -0.035 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)CC[NH+](C)C)C(=O)NC[C@@H]1CCCO1 ZINC001165788595 832238076 /nfs/dbraw/zinc/23/80/76/832238076.db2.gz RUILRCTXURJPKJ-KGLIPLIRSA-N 2 0 328.457 -0.282 20 0 EBADRP CN(CCCNC(=O)C[NH+]1CCCC1)C(=O)[C@@H]1CN(C)CCO1 ZINC001351509773 832245416 /nfs/dbraw/zinc/24/54/16/832245416.db2.gz MVPWGJNVHQNEBX-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP COCCCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166004052 832246097 /nfs/dbraw/zinc/24/60/97/832246097.db2.gz DGCVOSQLDHNQGL-OAHLLOKOSA-N 2 0 330.473 -0.179 20 0 EBADRP [NH3+]CCCOCCNC(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001351544875 832248924 /nfs/dbraw/zinc/24/89/24/832248924.db2.gz IXPHBHMUGKHRLH-CYBMUJFWSA-N 2 0 325.417 -0.551 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001166676770 832279176 /nfs/dbraw/zinc/27/91/76/832279176.db2.gz CEVOYKHVHUHVFK-GJZGRUSLSA-N 2 0 340.468 -0.423 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001166690412 832279831 /nfs/dbraw/zinc/27/98/31/832279831.db2.gz AAAUUSVJKSZESA-UONOGXRCSA-N 2 0 348.513 -0.439 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001166692359 832280200 /nfs/dbraw/zinc/28/02/00/832280200.db2.gz OUHGBFISFCZEJC-DZGCQCFKSA-N 2 0 328.457 -0.567 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)NC1CCOCC1 ZINC001166707723 832281424 /nfs/dbraw/zinc/28/14/24/832281424.db2.gz IHWAEQRFHWBRTB-UKRRQHHQSA-N 2 0 340.468 -0.425 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001166694091 832281554 /nfs/dbraw/zinc/28/15/54/832281554.db2.gz VLJSGTDILGWFEI-STQMWFEESA-N 2 0 339.440 -0.778 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001166715177 832283108 /nfs/dbraw/zinc/28/31/08/832283108.db2.gz URNRMFZEQDVSHN-KBPBESRZSA-N 2 0 348.513 -0.391 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(O)C2)C[C@H]1C[NH+](C)C ZINC001351839076 832284692 /nfs/dbraw/zinc/28/46/92/832284692.db2.gz YECKVTJJPGHLKR-CPUCHLNUSA-N 2 0 340.468 -0.833 20 0 EBADRP CC[C@@H](C(=O)NCCC[NH2+]CCN1CCCS1(=O)=O)[NH+](C)C ZINC001166858421 832294476 /nfs/dbraw/zinc/29/44/76/832294476.db2.gz UMIGATJVULKJAP-ZDUSSCGKSA-N 2 0 334.486 -0.542 20 0 EBADRP CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001166858752 832294650 /nfs/dbraw/zinc/29/46/50/832294650.db2.gz ZXQQOYAKSWGLKF-LBPRGKRZSA-N 2 0 327.429 -0.589 20 0 EBADRP C[NH+](C)CCCC(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001166881227 832295409 /nfs/dbraw/zinc/29/54/09/832295409.db2.gz BQDXJGAONKNPIR-UHFFFAOYSA-N 2 0 327.429 -0.601 20 0 EBADRP C[C@H]([NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001166986568 832305776 /nfs/dbraw/zinc/30/57/76/832305776.db2.gz OITWXFFFMHLZSB-NSHDSACASA-N 2 0 327.429 -0.602 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC1(C[NH2+]Cc2nnnn2C)CC1 ZINC001167235989 832319245 /nfs/dbraw/zinc/31/92/45/832319245.db2.gz FNRWYWDSRLYEJN-STQMWFEESA-N 2 0 335.456 -0.216 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001167480844 832344875 /nfs/dbraw/zinc/34/48/75/832344875.db2.gz TVDAVOXPDVXBRK-GFCCVEGCSA-N 2 0 341.456 -0.212 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+]CCNS(C)(=O)=O)CC1 ZINC001167480704 832345027 /nfs/dbraw/zinc/34/50/27/832345027.db2.gz RNPFVAFUOBSRRI-UHFFFAOYSA-N 2 0 348.513 -0.247 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001167636682 832361431 /nfs/dbraw/zinc/36/14/31/832361431.db2.gz XZLLUSLLYKTJGO-OLZOCXBDSA-N 2 0 341.456 -0.071 20 0 EBADRP Cn1cc(C[NH2+]CC2(CCNC(=O)COCC[NH+](C)C)CC2)nn1 ZINC001167732798 832368514 /nfs/dbraw/zinc/36/85/14/832368514.db2.gz NJSHHINBUGXVID-UHFFFAOYSA-N 2 0 338.456 -0.231 20 0 EBADRP C[NH+](C)CCCCC(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001167784109 832372608 /nfs/dbraw/zinc/37/26/08/832372608.db2.gz MPISEDZEKQJPJG-UHFFFAOYSA-N 2 0 341.456 -0.211 20 0 EBADRP C[NH+]1CCN(c2nc3ccccc3nc2-n2nnc(CC[NH3+])n2)CC1 ZINC001167787844 832373840 /nfs/dbraw/zinc/37/38/40/832373840.db2.gz JCWSFLUGNKKAAF-UHFFFAOYSA-N 2 0 339.407 -0.142 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NCCC[NH2+]CC(=O)N2CCC2)cn1 ZINC001168044442 832389942 /nfs/dbraw/zinc/38/99/42/832389942.db2.gz UZSSENMKLLFSGF-UHFFFAOYSA-N 2 0 336.440 -0.614 20 0 EBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC001353335445 832422797 /nfs/dbraw/zinc/42/27/97/832422797.db2.gz NEZXABVMOQTHKN-NWDGAFQWSA-N 2 0 332.395 -0.243 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001353448212 832428593 /nfs/dbraw/zinc/42/85/93/832428593.db2.gz NUDCWTKKQLWBCX-CABCVRRESA-N 2 0 340.468 -0.343 20 0 EBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC001353526314 832431754 /nfs/dbraw/zinc/43/17/54/832431754.db2.gz IRRWKCDPUOYOCG-VBQJREDUSA-N 2 0 338.452 -0.684 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001168763570 832433944 /nfs/dbraw/zinc/43/39/44/832433944.db2.gz POPKIBDLLKXSCG-HOTGVXAUSA-N 2 0 345.484 -0.019 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001169134526 832450395 /nfs/dbraw/zinc/45/03/95/832450395.db2.gz MEGYNQCSDIUDCL-ZDUSSCGKSA-N 2 0 341.456 -0.342 20 0 EBADRP [NH3+]CCN(CC(=O)NCCN1CCC([NH3+])CC1)Cc1ccccc1 ZINC001354770764 832518779 /nfs/dbraw/zinc/51/87/79/832518779.db2.gz DPTMBZHDNRVHAG-UHFFFAOYSA-N 2 0 333.480 -0.013 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccnc(N2CCC([NH3+])CC2)n1 ZINC001170867312 832530075 /nfs/dbraw/zinc/53/00/75/832530075.db2.gz DCWVOWAALAMDFK-CHWSQXEVSA-N 2 0 334.424 -0.033 20 0 EBADRP CCn1nnc(C)c1C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171204575 832550566 /nfs/dbraw/zinc/55/05/66/832550566.db2.gz CRDMRKQTZIVYAP-UHFFFAOYSA-N 2 0 326.445 -0.219 20 0 EBADRP CCCn1nnnc1C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171205732 832550716 /nfs/dbraw/zinc/55/07/16/832550716.db2.gz WTMOWQKHBFBCMH-UHFFFAOYSA-N 2 0 327.433 -0.743 20 0 EBADRP COCCCNC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171216379 832551356 /nfs/dbraw/zinc/55/13/56/832551356.db2.gz HLDMIFSJTJZVGP-AWEZNQCLSA-N 2 0 328.457 -0.423 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001171293097 832554680 /nfs/dbraw/zinc/55/46/80/832554680.db2.gz FZGZRPZJTBTWTL-AWEZNQCLSA-N 2 0 338.452 -0.575 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171303596 832555836 /nfs/dbraw/zinc/55/58/36/832555836.db2.gz SNBOYLNOMWACAW-UHFFFAOYSA-N 2 0 325.413 -0.976 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2)NCc1cccnc1 ZINC001171303563 832555942 /nfs/dbraw/zinc/55/59/42/832555942.db2.gz QMIUTFFDZCYHEV-UHFFFAOYSA-N 2 0 345.447 -0.111 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171579197 832565915 /nfs/dbraw/zinc/56/59/15/832565915.db2.gz PJNQKFNMENZFIK-OAHLLOKOSA-N 2 0 333.473 -0.162 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001171763235 832575027 /nfs/dbraw/zinc/57/50/27/832575027.db2.gz WCYNUNVKVTYZRQ-AWEZNQCLSA-N 2 0 328.457 -0.593 20 0 EBADRP C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC001356428878 832628024 /nfs/dbraw/zinc/62/80/24/832628024.db2.gz RCTDKKZQUOKAPG-CQSZACIVSA-N 2 0 338.452 -0.528 20 0 EBADRP C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)COC1CC[NH+](C)CC1 ZINC001175941236 832650843 /nfs/dbraw/zinc/65/08/43/832650843.db2.gz YMHDXCBSYQCKOW-CYBMUJFWSA-N 2 0 328.457 -0.153 20 0 EBADRP O=C(C[NH+]1CCCC1)NCCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001176102261 832657239 /nfs/dbraw/zinc/65/72/39/832657239.db2.gz CWIHABDDEZRBAN-AWEZNQCLSA-N 2 0 326.441 -0.839 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176096529 832657522 /nfs/dbraw/zinc/65/75/22/832657522.db2.gz UQELEXLWNHKPIY-ZDUSSCGKSA-N 2 0 341.456 -0.340 20 0 EBADRP COC[C@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176110256 832658207 /nfs/dbraw/zinc/65/82/07/832658207.db2.gz IJJAKGAVSBKBBE-LSDHHAIUSA-N 2 0 331.457 -0.410 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@H](C)c1nnnn1C ZINC001176161032 832660264 /nfs/dbraw/zinc/66/02/64/832660264.db2.gz MAXACIURVORTHN-CHWSQXEVSA-N 2 0 339.444 -0.665 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CC(=O)N(C)C1CC1 ZINC001176162363 832660767 /nfs/dbraw/zinc/66/07/67/832660767.db2.gz VZGAUTYFLIGZDA-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NC(N)=O ZINC001176285689 832663673 /nfs/dbraw/zinc/66/36/73/832663673.db2.gz OVHUCWAMMBZFTE-LBPRGKRZSA-N 2 0 329.445 -0.212 20 0 EBADRP C[C@H](CCCC[NH2+][C@H](C)C(=O)NC(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001176591100 832680388 /nfs/dbraw/zinc/68/03/88/832680388.db2.gz GZSWKZNHZJLXLV-CHWSQXEVSA-N 2 0 341.456 -0.070 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)CC[NH+]1CCCCC1 ZINC001176930094 832711966 /nfs/dbraw/zinc/71/19/66/832711966.db2.gz DGCSCHXTENHPOI-INIZCTEOSA-N 2 0 345.484 -0.018 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001176986807 832725929 /nfs/dbraw/zinc/72/59/29/832725929.db2.gz WKBRKRLBPLVGPZ-CQSZACIVSA-N 2 0 328.457 -0.425 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178360149 832853154 /nfs/dbraw/zinc/85/31/54/832853154.db2.gz MQEKQYZOVSSSIP-CWRNSKLLSA-N 2 0 340.468 -0.188 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1C)[NH+](C)C ZINC001178985533 832938261 /nfs/dbraw/zinc/93/82/61/832938261.db2.gz NHZFKVAOZISFCN-RWMBFGLXSA-N 2 0 334.486 -0.545 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)CCC[NH+](C)C ZINC001179438919 832978498 /nfs/dbraw/zinc/97/84/98/832978498.db2.gz ASSYWZLTSYPBOE-STQMWFEESA-N 2 0 339.440 -0.541 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179481176 832981771 /nfs/dbraw/zinc/98/17/71/832981771.db2.gz FRYZRUSFODKVOD-ZFWWWQNUSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@H]1[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)CCN1C(=O)CC[NH+](C)C ZINC001179482473 832982686 /nfs/dbraw/zinc/98/26/86/832982686.db2.gz UZMVNWJTHDDTFA-IHRRRGAJSA-N 2 0 331.482 -0.048 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)[C@@H]1C)[NH+](C)C ZINC001179554249 832988089 /nfs/dbraw/zinc/98/80/89/832988089.db2.gz XCVMTHCGDGIKBR-VOAKCMCISA-N 2 0 341.456 -0.250 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCNS(=O)(=O)CC)[C@@H]1C)[NH+](C)C ZINC001179553876 832988445 /nfs/dbraw/zinc/98/84/45/832988445.db2.gz CQJYXVRBNVWXNP-IHRRRGAJSA-N 2 0 348.513 -0.155 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212408153 837675027 /nfs/dbraw/zinc/67/50/27/837675027.db2.gz MYPSADVJJKDKBI-MGPQQGTHSA-N 2 0 329.441 -0.707 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001187107269 833900765 /nfs/dbraw/zinc/90/07/65/833900765.db2.gz ZRJQQQQFSHHAAL-GXTWGEPZSA-N 2 0 326.441 -0.578 20 0 EBADRP CC(C)[C@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115795 833902888 /nfs/dbraw/zinc/90/28/88/833902888.db2.gz UDFBYYKKRFKNFH-LSDHHAIUSA-N 2 0 342.484 -0.084 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001187122450 833904280 /nfs/dbraw/zinc/90/42/80/833904280.db2.gz STWNENHAGOPEQE-CQSZACIVSA-N 2 0 326.441 -0.719 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2cnccn2)C1 ZINC001187291605 833916039 /nfs/dbraw/zinc/91/60/39/833916039.db2.gz WSXBBGLKQVNVPD-CYBMUJFWSA-N 2 0 334.424 -0.053 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCc3cccnc3)C2)C1 ZINC001187817185 833969916 /nfs/dbraw/zinc/96/99/16/833969916.db2.gz BCAWOYPHZBNGQH-HZPDHXFCSA-N 2 0 345.447 -0.160 20 0 EBADRP CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001187851958 833973059 /nfs/dbraw/zinc/97/30/59/833973059.db2.gz XCXHSKKIJMVXRR-HUUCEWRRSA-N 2 0 340.468 -0.330 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001188139298 834011397 /nfs/dbraw/zinc/01/13/97/834011397.db2.gz KWVMWEFPQQMVHR-CHWSQXEVSA-N 2 0 339.440 -0.493 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001188139857 834013622 /nfs/dbraw/zinc/01/36/22/834013622.db2.gz STKHFAZXHZMJGZ-NEPJUHHUSA-N 2 0 325.413 -0.754 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001188140044 834013671 /nfs/dbraw/zinc/01/36/71/834013671.db2.gz WUROFGDILTUHNB-KGLIPLIRSA-N 2 0 346.497 -0.400 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001188158743 834016948 /nfs/dbraw/zinc/01/69/48/834016948.db2.gz WUIZPWLWMUSYST-HUUCEWRRSA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@H+](CCOCCO)C[C@H]32)CC1 ZINC001188963754 834110941 /nfs/dbraw/zinc/11/09/41/834110941.db2.gz QQUSPWRVZBTZNY-LSDHHAIUSA-N 2 0 325.453 -0.130 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001188978949 834113394 /nfs/dbraw/zinc/11/33/94/834113394.db2.gz HMEVZYDPWJRFAP-MELADBBJSA-N 2 0 336.436 -0.334 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001189787618 834191897 /nfs/dbraw/zinc/19/18/97/834191897.db2.gz RMVKCLVWIWVYDU-OWCLPIDISA-N 2 0 325.453 -0.130 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001190675476 834315072 /nfs/dbraw/zinc/31/50/72/834315072.db2.gz OMPNBZZZJUWVGU-YPMHNXCESA-N 2 0 339.440 -0.413 20 0 EBADRP CO[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378134 837761651 /nfs/dbraw/zinc/76/16/51/837761651.db2.gz FJPGTZNGVLLBLA-RRFJBIMHSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192029160 834594073 /nfs/dbraw/zinc/59/40/73/834594073.db2.gz INKPCWSDUKNINE-RYUDHWBXSA-N 2 0 327.429 -0.556 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CC[C@H]([N@H+](C)CCN3CCNC3=O)C2)CC1 ZINC001192020108 834594495 /nfs/dbraw/zinc/59/44/95/834594495.db2.gz ZGZQQWPQIKXYON-AWEZNQCLSA-N 2 0 337.468 -0.114 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)C[C@H](O)CN2CCCC2=O)C1 ZINC001192170103 834621314 /nfs/dbraw/zinc/62/13/14/834621314.db2.gz HIVKBDJGSDHNCY-CABCVRRESA-N 2 0 340.468 -0.546 20 0 EBADRP COCCOC[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192171861 834621619 /nfs/dbraw/zinc/62/16/19/834621619.db2.gz XETBXYYPDVRTJM-LSDHHAIUSA-N 2 0 331.457 -0.505 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213526814 837792472 /nfs/dbraw/zinc/79/24/72/837792472.db2.gz WAANIWJBSCAGMB-ARFHVFGLSA-N 2 0 343.468 -0.459 20 0 EBADRP CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)COCC[NH+](C)C)C2)C1=O ZINC001193487511 834887637 /nfs/dbraw/zinc/88/76/37/834887637.db2.gz AIZGIIFGTRCPNE-GJZGRUSLSA-N 2 0 340.468 -0.282 20 0 EBADRP CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)COCC[NH+](C)C)C2)C1=O ZINC001193487513 834888079 /nfs/dbraw/zinc/88/80/79/834888079.db2.gz AIZGIIFGTRCPNE-LSDHHAIUSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([N@H+](C)CCN2CCCC2=O)C1 ZINC001193489680 834890365 /nfs/dbraw/zinc/89/03/65/834890365.db2.gz ZNWFHNPRDXNTKT-OAHLLOKOSA-N 2 0 340.468 -0.280 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)[C@@H](C)C(=O)NC(=O)NC)C1 ZINC001193643349 834922150 /nfs/dbraw/zinc/92/21/50/834922150.db2.gz SQZUPTYSMGXXCS-STQMWFEESA-N 2 0 341.456 -0.295 20 0 EBADRP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)C1CC1 ZINC001193792056 834947640 /nfs/dbraw/zinc/94/76/40/834947640.db2.gz VNCJMBUUYKARKD-OAGGEKHMSA-N 2 0 325.453 -0.086 20 0 EBADRP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001193902640 834966198 /nfs/dbraw/zinc/96/61/98/834966198.db2.gz VVDLMBJWCXOBCZ-BZUAXINKSA-N 2 0 343.468 -0.315 20 0 EBADRP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194832453 835155316 /nfs/dbraw/zinc/15/53/16/835155316.db2.gz OWWNWZQZTGVECH-VXSWHIBVSA-N 2 0 339.436 -0.953 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCO[C@@H]2CCOC2)C[C@H]1O ZINC001197493515 835563474 /nfs/dbraw/zinc/56/34/74/835563474.db2.gz QNJFUHMWUBWMMT-BZUAXINKSA-N 2 0 343.468 -0.315 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001198029167 835632703 /nfs/dbraw/zinc/63/27/03/835632703.db2.gz PAIUXHGABCGLDJ-RRFJBIMHSA-N 2 0 340.468 -0.594 20 0 EBADRP COCCOC[C@H](O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001198097925 835641682 /nfs/dbraw/zinc/64/16/82/835641682.db2.gz MBAQMVUYHGVPHO-HZPDHXFCSA-N 2 0 343.468 -0.504 20 0 EBADRP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199094869 835761509 /nfs/dbraw/zinc/76/15/09/835761509.db2.gz AKIWWPRINAHSOR-BZUAXINKSA-N 2 0 345.484 -0.479 20 0 EBADRP COCCOC[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001199787651 835861439 /nfs/dbraw/zinc/86/14/39/835861439.db2.gz CEKDSOXUXTXZRK-CVEARBPZSA-N 2 0 343.468 -0.315 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200115459 835910865 /nfs/dbraw/zinc/91/08/65/835910865.db2.gz MKBZFZMEOTXZBY-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=S)NCCN1CCOCC1 ZINC001200125207 835913869 /nfs/dbraw/zinc/91/38/69/835913869.db2.gz MSTNTOZLWPSOAA-UHFFFAOYSA-N 2 0 331.530 -0.382 20 0 EBADRP COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001200605760 835994230 /nfs/dbraw/zinc/99/42/30/835994230.db2.gz BEIQLORTECFAGC-JKSUJKDBSA-N 2 0 325.453 -0.084 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001200634698 835998904 /nfs/dbraw/zinc/99/89/04/835998904.db2.gz JKMRWSMOCFSULS-QWHCGFSZSA-N 2 0 332.420 -0.641 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CCCO1 ZINC001200688211 836014364 /nfs/dbraw/zinc/01/43/64/836014364.db2.gz LUTBGTCCSICDMG-UKRRQHHQSA-N 2 0 326.441 -0.720 20 0 EBADRP CC[C@H]([NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCCO1)C(N)=O ZINC001200687707 836016233 /nfs/dbraw/zinc/01/62/33/836016233.db2.gz GCPNHOSLHIVBJN-KBPBESRZSA-N 2 0 340.468 -0.058 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCOCCO)C1 ZINC001200808122 836039123 /nfs/dbraw/zinc/03/91/23/836039123.db2.gz YSENPEKRSOGOQT-JKSUJKDBSA-N 2 0 343.468 -0.313 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001200851158 836047366 /nfs/dbraw/zinc/04/73/66/836047366.db2.gz MKTRRTSATWOYFY-KBPBESRZSA-N 2 0 340.468 -0.188 20 0 EBADRP Cc1c(C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)ccc2c[nH+]cn21 ZINC001200865412 836050815 /nfs/dbraw/zinc/05/08/15/836050815.db2.gz IRRVROBXAVAJJG-AWEZNQCLSA-N 2 0 345.403 -0.051 20 0 EBADRP C[NH+](C)C1(C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)CCC1 ZINC001201037565 836083735 /nfs/dbraw/zinc/08/37/35/836083735.db2.gz MNFUDKKILXYVPP-UHFFFAOYSA-N 2 0 325.413 -0.754 20 0 EBADRP CC(C)(C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001201130054 836100499 /nfs/dbraw/zinc/10/04/99/836100499.db2.gz UYEUIDRAGVTCLL-CYBMUJFWSA-N 2 0 326.441 -0.447 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCC([NH2+][C@H](C)C(=O)NC(N)=O)CC1)[NH+](C)C ZINC001201150115 836103204 /nfs/dbraw/zinc/10/32/04/836103204.db2.gz XFDMJPVWKLEGMH-YPMHNXCESA-N 2 0 341.456 -0.263 20 0 EBADRP CC[C@H](C(=O)N1CCC([NH2+]C[C@@H](O)COCCOC)CC1)[NH+](C)C ZINC001201239317 836115651 /nfs/dbraw/zinc/11/56/51/836115651.db2.gz JALFGVUSDMGFPU-HZPDHXFCSA-N 2 0 345.484 -0.069 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1 ZINC001201262607 836120247 /nfs/dbraw/zinc/12/02/47/836120247.db2.gz VDNNQRCVMLQWDB-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CCCO1)C(N)=O ZINC001201277807 836121957 /nfs/dbraw/zinc/12/19/57/836121957.db2.gz XWRPHKFPHPXFRF-ZIAGYGMSSA-N 2 0 328.457 -0.201 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201277302 836122135 /nfs/dbraw/zinc/12/21/35/836122135.db2.gz PTWJFCNFPMZKIS-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP CC[C@@H]([NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1)C(N)=O ZINC001201309907 836127226 /nfs/dbraw/zinc/12/72/26/836127226.db2.gz URRQHIGACGQZPW-LSDHHAIUSA-N 2 0 340.468 -0.201 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1 ZINC001201309521 836127414 /nfs/dbraw/zinc/12/74/14/836127414.db2.gz RBCKDUSRZILKPO-HIFRSBDPSA-N 2 0 340.468 -0.330 20 0 EBADRP CN1CCC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CC[NH+](C)C)CCCO2)C1=O ZINC001201335035 836130764 /nfs/dbraw/zinc/13/07/64/836130764.db2.gz MMHBSSQUMPNJFB-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201335467 836131269 /nfs/dbraw/zinc/13/12/69/836131269.db2.gz PGBYAUIATXNYQI-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP COCCOCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201336639 836131341 /nfs/dbraw/zinc/13/13/41/836131341.db2.gz XFRZDGCKVFYCAS-OAHLLOKOSA-N 2 0 331.457 -0.192 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCCO[C@H](C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001201404829 836141038 /nfs/dbraw/zinc/14/10/38/836141038.db2.gz XMNDCDVKOCGEIS-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H](COCC(=O)N1CCCO[C@@H](C[NH2+]CCO)C1)[NH+]1CCCC1 ZINC001201429969 836145581 /nfs/dbraw/zinc/14/55/81/836145581.db2.gz JPTSCKYEFQXEEX-HOTGVXAUSA-N 2 0 343.468 -0.313 20 0 EBADRP C[C@H](C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1)[NH+]1CCCCCC1 ZINC001201557042 836159448 /nfs/dbraw/zinc/15/94/48/836159448.db2.gz CCJJZNSLKYECHD-HUUCEWRRSA-N 2 0 340.468 -0.057 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001201560160 836160658 /nfs/dbraw/zinc/16/06/58/836160658.db2.gz YTXVMQMAMKFIFG-LSDHHAIUSA-N 2 0 340.468 -0.058 20 0 EBADRP C[C@H]([NH2+]C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCCO1)C(N)=O ZINC001201569102 836161111 /nfs/dbraw/zinc/16/11/11/836161111.db2.gz MOLFJROVDQKLPJ-ZFWWWQNUSA-N 2 0 340.468 -0.201 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCCO[C@@H](C[NH2+]C[C@@H](O)COC)C1 ZINC001201678296 836174814 /nfs/dbraw/zinc/17/48/14/836174814.db2.gz IHDLVGOBIXVJFK-CABCVRRESA-N 2 0 331.457 -0.457 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCCO[C@H](C[NH2+]C[C@@H](O)COC)C1 ZINC001201808615 836194846 /nfs/dbraw/zinc/19/48/46/836194846.db2.gz DVTNGBHDQPNMAW-HUUCEWRRSA-N 2 0 331.457 -0.457 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCCO[C@@H](C[NH2+][C@@H](CC)C(N)=O)C1 ZINC001201931985 836217969 /nfs/dbraw/zinc/21/79/69/836217969.db2.gz QBFTXAQZISUIDQ-KBPBESRZSA-N 2 0 328.457 -0.201 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCCO[C@H](C[NH2+]CCn2cncn2)C1 ZINC001201932014 836218126 /nfs/dbraw/zinc/21/81/26/836218126.db2.gz QSDKQHMGMZYUHP-OAHLLOKOSA-N 2 0 338.456 -0.173 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCCO[C@H](C[NH2+][C@H](C)C(=O)NC)C1 ZINC001201932506 836218165 /nfs/dbraw/zinc/21/81/65/836218165.db2.gz ZRUUQDFPGAPZKF-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP CCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202048881 836241369 /nfs/dbraw/zinc/24/13/69/836241369.db2.gz IPKGBMLAWMJWNI-HNNXBMFYSA-N 2 0 340.468 -0.185 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202057149 836242614 /nfs/dbraw/zinc/24/26/14/836242614.db2.gz CWVCLATWPHQVSE-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202050709 836243198 /nfs/dbraw/zinc/24/31/98/836243198.db2.gz WVIKLVQQUMAMFZ-CABCVRRESA-N 2 0 329.441 -0.703 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001202057165 836243608 /nfs/dbraw/zinc/24/36/08/836243608.db2.gz DOMOGPJNTBGCRT-CABCVRRESA-N 2 0 338.452 -0.623 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NC3CC3)C2)C1 ZINC001202059430 836243924 /nfs/dbraw/zinc/24/39/24/836243924.db2.gz PLXHNXOSQMNXSM-ZFWWWQNUSA-N 2 0 338.452 -0.576 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202059889 836244154 /nfs/dbraw/zinc/24/41/54/836244154.db2.gz SJGKJNLLERYRNQ-LSDHHAIUSA-N 2 0 340.468 -0.330 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCCO[C@H](C[NH2+]CCn2cncn2)C1 ZINC001202060399 836247022 /nfs/dbraw/zinc/24/70/22/836247022.db2.gz WZVCSAZLZQYXFX-OAHLLOKOSA-N 2 0 336.440 -0.419 20 0 EBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CCCO1)C(N)=O ZINC001202133522 836259878 /nfs/dbraw/zinc/25/98/78/836259878.db2.gz FNTXKIJWBNVKAQ-HUUCEWRRSA-N 2 0 340.468 -0.057 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001202163842 836265847 /nfs/dbraw/zinc/26/58/47/836265847.db2.gz IQYCKKZNQJOPPN-GJZGRUSLSA-N 2 0 340.468 -0.188 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001202163612 836266755 /nfs/dbraw/zinc/26/67/55/836266755.db2.gz HITNBKUIFQNGRO-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCC([NH2+]CCN2CCNC2=O)CC1 ZINC001202238585 836282323 /nfs/dbraw/zinc/28/23/23/836282323.db2.gz HYIZHCZFJGSOFS-UHFFFAOYSA-N 2 0 325.457 -0.066 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1 ZINC001202239096 836283640 /nfs/dbraw/zinc/28/36/40/836283640.db2.gz QPVNMOPJFBFZRD-UHFFFAOYSA-N 2 0 334.486 -0.542 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1 ZINC001202504954 836308085 /nfs/dbraw/zinc/30/80/85/836308085.db2.gz XGIMZYNBGFLSGC-OCCSQVGLSA-N 2 0 346.497 -0.686 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1 ZINC001202496520 836308720 /nfs/dbraw/zinc/30/87/20/836308720.db2.gz UJSKXBOHEKTKEY-CYBMUJFWSA-N 2 0 346.497 -0.400 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001202518455 836309973 /nfs/dbraw/zinc/30/99/73/836309973.db2.gz UZJPHAIPVYNEFD-UHFFFAOYSA-N 2 0 339.440 -0.506 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC([NH2+]C[C@@H](O)COCCOC)CC1 ZINC001203208481 836406188 /nfs/dbraw/zinc/40/61/88/836406188.db2.gz HNOXTQHTMHIFLE-MRXNPFEDSA-N 2 0 345.484 -0.067 20 0 EBADRP CCN1CC[C@@H]([NH2+]C2CCN(C(=O)COCC[NH+](C)C)CC2)C1=O ZINC001203349165 836423653 /nfs/dbraw/zinc/42/36/53/836423653.db2.gz HFTSKLXHSUIWPF-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]([NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1)C(=O)N(C)C ZINC001203355378 836424829 /nfs/dbraw/zinc/42/48/29/836424829.db2.gz RQQFGXGVQYOCPM-CYBMUJFWSA-N 2 0 328.457 -0.378 20 0 EBADRP C[C@@H]([NH2+]C1CCN(C(=O)CCCC[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001203408535 836429787 /nfs/dbraw/zinc/42/97/87/836429787.db2.gz ZNSPTNKBUCPZKP-GFCCVEGCSA-N 2 0 341.456 -0.118 20 0 EBADRP CC(=O)NCCOCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001203699497 836463260 /nfs/dbraw/zinc/46/32/60/836463260.db2.gz NGSACPAVEFROHI-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001203932619 836488887 /nfs/dbraw/zinc/48/88/87/836488887.db2.gz LNLYQQRPSXKNBN-LBPRGKRZSA-N 2 0 341.456 -0.249 20 0 EBADRP O=C(Cn1ccnc1)N1CCC([NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001204092451 836498363 /nfs/dbraw/zinc/49/83/63/836498363.db2.gz JESFJYKOYQMLAY-HNNXBMFYSA-N 2 0 332.408 -0.279 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1)C1CC1 ZINC001205461321 836567832 /nfs/dbraw/zinc/56/78/32/836567832.db2.gz HDTFCVZKJFAZTH-AWEZNQCLSA-N 2 0 339.440 -0.650 20 0 EBADRP CC[C@@H](C(=O)N1CCC(C[NH2+][C@H](C)C(=O)NC(N)=O)CC1)[NH+](C)C ZINC001206300396 836638175 /nfs/dbraw/zinc/63/81/75/836638175.db2.gz CKFNLVAUKOASQS-YPMHNXCESA-N 2 0 341.456 -0.262 20 0 EBADRP C[C@@H]([NH2+]CC1CCN(C(=O)COCC[NH+](C)C)CC1)C(=O)N(C)C ZINC001206872564 836685695 /nfs/dbraw/zinc/68/56/95/836685695.db2.gz KHTPREYWTWTGNC-CQSZACIVSA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)C(=O)NC(N)=O ZINC001206929232 836715604 /nfs/dbraw/zinc/71/56/04/836715604.db2.gz ZXBLUIWISYGWGA-DGCLKSJQSA-N 2 0 339.440 -0.650 20 0 EBADRP C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1)C(N)=O ZINC001206930241 836715794 /nfs/dbraw/zinc/71/57/94/836715794.db2.gz YXGSKYFWMIBLSB-UONOGXRCSA-N 2 0 340.468 -0.343 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001206953494 836727895 /nfs/dbraw/zinc/72/78/95/836727895.db2.gz NUCLBHJDKJXGMX-UHFFFAOYSA-N 2 0 338.456 -0.223 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001206954818 836728157 /nfs/dbraw/zinc/72/81/57/836728157.db2.gz ZBHBKUYXJQECIW-GFCCVEGCSA-N 2 0 341.456 -0.262 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001207685085 836844891 /nfs/dbraw/zinc/84/48/91/836844891.db2.gz WIDDELZOUHCYBR-CHWSQXEVSA-N 2 0 332.470 -0.790 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1)C1CC1 ZINC001208334968 836999703 /nfs/dbraw/zinc/99/97/03/836999703.db2.gz OXMTZEQVCUEQBA-UONOGXRCSA-N 2 0 346.497 -0.544 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1)C1CC1 ZINC001208334967 837000333 /nfs/dbraw/zinc/00/03/33/837000333.db2.gz OXMTZEQVCUEQBA-KGLIPLIRSA-N 2 0 346.497 -0.544 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001209408032 837164294 /nfs/dbraw/zinc/16/42/94/837164294.db2.gz IPHLWVJDQLFSEQ-LBPRGKRZSA-N 2 0 325.413 -0.896 20 0 EBADRP COCCOC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209453868 837167672 /nfs/dbraw/zinc/16/76/72/837167672.db2.gz FHKIQPBRHMTEKG-HUUCEWRRSA-N 2 0 331.457 -0.457 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209447053 837167878 /nfs/dbraw/zinc/16/78/78/837167878.db2.gz WKWAJYPPIPVVHY-NEPJUHHUSA-N 2 0 327.429 -0.637 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001209446477 837168037 /nfs/dbraw/zinc/16/80/37/837168037.db2.gz RQHCJVZNBFSPDN-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCCOC)C[C@H]1C ZINC001210040171 837229022 /nfs/dbraw/zinc/22/90/22/837229022.db2.gz CBMMJYXOLWCZMK-BZUAXINKSA-N 2 0 345.484 -0.211 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001210338548 837272824 /nfs/dbraw/zinc/27/28/24/837272824.db2.gz FYZZAGTTXLFBNM-ZIAGYGMSSA-N 2 0 340.468 -0.188 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001210492873 837289846 /nfs/dbraw/zinc/28/98/46/837289846.db2.gz FFSMOCRVZRUQID-GFCCVEGCSA-N 2 0 327.429 -0.636 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210673880 837316211 /nfs/dbraw/zinc/31/62/11/837316211.db2.gz IZJJIRGHTUFSQH-OLZOCXBDSA-N 2 0 339.440 -0.636 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)COCC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001210685123 837319819 /nfs/dbraw/zinc/31/98/19/837319819.db2.gz NZZZCUSVZCTOEB-HIFRSBDPSA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001210685366 837319942 /nfs/dbraw/zinc/31/99/42/837319942.db2.gz UPFIDSLGTRWEQI-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001210742217 837327998 /nfs/dbraw/zinc/32/79/98/837327998.db2.gz BTJPZCHNWIGYIT-QWHCGFSZSA-N 2 0 341.456 -0.118 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211071470 837377859 /nfs/dbraw/zinc/37/78/59/837377859.db2.gz KCBKSZBHNUQLFD-UONOGXRCSA-N 2 0 346.497 -0.542 20 0 EBADRP COCCCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730361 837853435 /nfs/dbraw/zinc/85/34/35/837853435.db2.gz MRENNTZRBODJFK-HUUCEWRRSA-N 2 0 331.457 -0.193 20 0 EBADRP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213863799 837889428 /nfs/dbraw/zinc/88/94/28/837889428.db2.gz SZDWAUBDTCSCIQ-BZUAXINKSA-N 2 0 343.468 -0.193 20 0 EBADRP C[C@@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001319476222 838136375 /nfs/dbraw/zinc/13/63/75/838136375.db2.gz FAZYLCSHRQPEPF-UONOGXRCSA-N 2 0 325.457 -0.068 20 0 EBADRP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCN1CCCS1(=O)=O)[NH+](C)C ZINC001319561164 838150325 /nfs/dbraw/zinc/15/03/25/838150325.db2.gz UAKIOKNYPJFUMN-UONOGXRCSA-N 2 0 348.513 -0.201 20 0 EBADRP CC1CC[NH+](CC(=O)NC[C@@H](O)C[NH2+]CCc2cnn(C)c2)CC1 ZINC001320291917 838746818 /nfs/dbraw/zinc/74/68/18/838746818.db2.gz GWVOCUOPRVKQPI-INIZCTEOSA-N 2 0 337.468 -0.239 20 0 EBADRP Cc1nc(C)n(CC[NH2+]C[C@H](O)CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001320296909 838749294 /nfs/dbraw/zinc/74/92/94/838749294.db2.gz WCDQAAZPCFMZMI-CABCVRRESA-N 2 0 338.456 -0.697 20 0 EBADRP C[C@H](CC[NH2+]CCN1C(=O)CNC1=O)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001320374145 838762671 /nfs/dbraw/zinc/76/26/71/838762671.db2.gz ZNZCRDFAFVGXFE-NEPJUHHUSA-N 2 0 325.413 -0.883 20 0 EBADRP C[C@@H](CC[NH2+]CCN1C(=O)CNC1=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320374146 838762699 /nfs/dbraw/zinc/76/26/99/838762699.db2.gz ZNZCRDFAFVGXFE-NWDGAFQWSA-N 2 0 325.413 -0.883 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001320996772 838878031 /nfs/dbraw/zinc/87/80/31/838878031.db2.gz FOPAHRDHEIOXNZ-AGFGORMFSA-N 2 0 339.440 -0.423 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)C1([NH+](C)C)CCC1 ZINC001321093893 838905781 /nfs/dbraw/zinc/90/57/81/838905781.db2.gz ZJEKZVYHZMLQLI-SNAWJCMRSA-N 2 0 325.413 -0.812 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC001321353774 838969573 /nfs/dbraw/zinc/96/95/73/838969573.db2.gz DIFIVUBYKRSMAE-KBPBESRZSA-N 2 0 326.441 -0.767 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001321394086 838981329 /nfs/dbraw/zinc/98/13/29/838981329.db2.gz VJWCBASNYSHTJE-IBPBTGAJSA-N 2 0 339.440 -0.566 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C/C=C\CNC(=O)C[NH+]1CCCC1 ZINC001321405573 838985409 /nfs/dbraw/zinc/98/54/09/838985409.db2.gz SVMSESZOTQNJFB-ARJAWSKDSA-N 2 0 325.413 -0.810 20 0 EBADRP C[C@H]([NH2+]C/C=C\CNC(=O)CC[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001321418028 838988344 /nfs/dbraw/zinc/98/83/44/838988344.db2.gz XHZIYWDYHBGQFZ-SCOBNMCVSA-N 2 0 339.440 -0.292 20 0 EBADRP CC[C@H](C(=O)N[C@H](C)C[NH2+]CCN1CCCS1(=O)=O)[NH+](C)C ZINC001321564693 839019688 /nfs/dbraw/zinc/01/96/88/839019688.db2.gz VGJPALMVDAHWNW-CHWSQXEVSA-N 2 0 334.486 -0.544 20 0 EBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001321572144 839022474 /nfs/dbraw/zinc/02/24/74/839022474.db2.gz WQJNIQRLGFKVLH-OAHLLOKOSA-N 2 0 339.484 -0.663 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001322240669 839161391 /nfs/dbraw/zinc/16/13/91/839161391.db2.gz HMHWRZRMVPKUCD-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001322550329 839199919 /nfs/dbraw/zinc/19/99/19/839199919.db2.gz YGSDAOYRJRPVIW-CYBMUJFWSA-N 2 0 341.456 -0.246 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001323247205 839388584 /nfs/dbraw/zinc/38/85/84/839388584.db2.gz RGJPKPJVRYOAAU-ZNMIVQPWSA-N 2 0 340.468 -0.188 20 0 EBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001323421178 839438278 /nfs/dbraw/zinc/43/82/78/839438278.db2.gz OWNOLFXHFWMSBW-HNNXBMFYSA-N 2 0 339.484 -0.663 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001323518140 839461880 /nfs/dbraw/zinc/46/18/80/839461880.db2.gz GTNPWDFSKHIMGF-LBPRGKRZSA-N 2 0 337.424 -0.739 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CCOCCO)C1 ZINC001325096439 839777418 /nfs/dbraw/zinc/77/74/18/839777418.db2.gz IACJKYMIJLBLFT-WBVHZDCISA-N 2 0 343.468 -0.579 20 0 EBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CCNS(C)(=O)=O ZINC001325561867 839890475 /nfs/dbraw/zinc/89/04/75/839890475.db2.gz PJCMLUYPPXGYJX-STQMWFEESA-N 2 0 334.486 -0.829 20 0 EBADRP COc1nccc(C[NH2+]CCN(CCO)C(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001326070094 840022449 /nfs/dbraw/zinc/02/24/49/840022449.db2.gz MAEJHUXYCWJREQ-CQSZACIVSA-N 2 0 337.424 -0.510 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C[C@H]1C[NH3+] ZINC001326561079 840135694 /nfs/dbraw/zinc/13/56/94/840135694.db2.gz MRVBKLDOYKYUNJ-QLFBSQMISA-N 2 0 338.452 -0.495 20 0 EBADRP Cn1cc(CC[NH2+]C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CCO2)cn1 ZINC001326957792 840249378 /nfs/dbraw/zinc/24/93/78/840249378.db2.gz LCULJCSDXGFILE-JKSUJKDBSA-N 2 0 335.452 -0.126 20 0 EBADRP [NH3+]C[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC001327498112 840436822 /nfs/dbraw/zinc/43/68/22/840436822.db2.gz JJYXBXFRIRRRCH-UKRRQHHQSA-N 2 0 338.452 -0.447 20 0 EBADRP CN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)[C@@H](C[NH3+])C1 ZINC001327505967 840438091 /nfs/dbraw/zinc/43/80/91/840438091.db2.gz VUSQSHCUQHNKSX-BFHYXJOUSA-N 2 0 325.457 -0.923 20 0 EBADRP COCCCC[NH2+]CC1(NC(=O)[C@@H]2CN(C)CCO2)CCOCC1 ZINC001327627707 840479174 /nfs/dbraw/zinc/47/91/74/840479174.db2.gz MZNWSZXEIJMCGX-HNNXBMFYSA-N 2 0 343.468 -0.001 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCC(O)(C[NH2+]CCOCCO)CC1 ZINC001328217656 840624388 /nfs/dbraw/zinc/62/43/88/840624388.db2.gz KSDQGKYTNGETRX-UHFFFAOYSA-N 2 0 329.441 -0.966 20 0 EBADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001328745281 840739594 /nfs/dbraw/zinc/73/95/94/840739594.db2.gz DLOPPJGYCIUGCQ-XGUBFFRZSA-N 2 0 338.452 -0.401 20 0 EBADRP C[NH2+]CCOCCNC(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001328965619 840801386 /nfs/dbraw/zinc/80/13/86/840801386.db2.gz MDFDLTBAAYNRSI-CYBMUJFWSA-N 2 0 325.417 -0.681 20 0 EBADRP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001329051515 840826669 /nfs/dbraw/zinc/82/66/69/840826669.db2.gz CBGNSXVQJHYIOJ-VXGBXAGGSA-N 2 0 339.440 -0.495 20 0 EBADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001329093655 840839503 /nfs/dbraw/zinc/83/95/03/840839503.db2.gz KAJBBMZYNAGOMP-ZDUSSCGKSA-N 2 0 340.468 -0.201 20 0 EBADRP COCC[NH2+]C1CCN(S(=O)(=O)N(C)C2CC[NH2+]CC2)CC1 ZINC001330362225 841174884 /nfs/dbraw/zinc/17/48/84/841174884.db2.gz BOIWGSDZJIVQFV-UHFFFAOYSA-N 2 0 334.486 -0.385 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001330532814 841231500 /nfs/dbraw/zinc/23/15/00/841231500.db2.gz SLTIWTVXLGVESH-OUCADQQQSA-N 2 0 326.441 -0.402 20 0 EBADRP [NH3+]CC1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC001330542459 841233079 /nfs/dbraw/zinc/23/30/79/841233079.db2.gz ADAUQYQLRIQSCG-HNNXBMFYSA-N 2 0 338.452 -0.447 20 0 EBADRP C[C@H](CCC[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001330977735 841304590 /nfs/dbraw/zinc/30/45/90/841304590.db2.gz UEYFZAHWPDAGFF-NEPJUHHUSA-N 2 0 327.429 -0.460 20 0 EBADRP CO[C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001331056140 841324352 /nfs/dbraw/zinc/32/43/52/841324352.db2.gz ISVHGJPCBYAZPC-AWEZNQCLSA-N 2 0 328.457 -0.424 20 0 EBADRP CN(CCOCCNC(=O)[C@@H]1CCCC[N@@H+]1C)CC(=O)N1CCC1 ZINC001331131274 841345444 /nfs/dbraw/zinc/34/54/44/841345444.db2.gz FHCZOPLWRCJKPU-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC001331133672 841348013 /nfs/dbraw/zinc/34/80/13/841348013.db2.gz JHTBYUTXTWRRQN-CABCVRRESA-N 2 0 338.452 -0.434 20 0 EBADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001331196056 841369172 /nfs/dbraw/zinc/36/91/72/841369172.db2.gz JFFVMFKKVOKJFC-HDJSIYSDSA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH+]1CCN(c2ccccc2CNC(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC001331499847 841417126 /nfs/dbraw/zinc/41/71/26/841417126.db2.gz ZXNYQRWBUBNFQT-UHFFFAOYSA-N 2 0 345.447 -0.514 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001332045042 841558409 /nfs/dbraw/zinc/55/84/09/841558409.db2.gz CAKULTQSDFMMLO-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC001332271435 841602494 /nfs/dbraw/zinc/60/24/94/841602494.db2.gz VIOKIEHUAFSQPD-ZNMIVQPWSA-N 2 0 339.484 -0.772 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CCc1cnn(C)c1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001332527725 841660530 /nfs/dbraw/zinc/66/05/30/841660530.db2.gz DCFUPQMXJOXXML-JKSUJKDBSA-N 2 0 337.468 -0.144 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CCc1cnn(C)c1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001332527721 841660832 /nfs/dbraw/zinc/66/08/32/841660832.db2.gz DCFUPQMXJOXXML-HOTGVXAUSA-N 2 0 337.468 -0.144 20 0 EBADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)NCCCN1CC[NH2+]CC1)C2 ZINC001332534270 841663497 /nfs/dbraw/zinc/66/34/97/841663497.db2.gz ZPWVIXBYQCVCJB-UHFFFAOYSA-N 2 0 338.481 -0.035 20 0 EBADRP CN(CCOCC[NH2+][C@@H]1CCN(C)C1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001333222047 841824609 /nfs/dbraw/zinc/82/46/09/841824609.db2.gz CMTRMUQGUDPQRY-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(C)CCOCC[NH2+]CC(=O)N(C)C)CC[N@@H+]1C ZINC001333224020 841825494 /nfs/dbraw/zinc/82/54/94/841825494.db2.gz WHXYTUSGQPZZKV-ZIAGYGMSSA-N 2 0 328.457 -0.521 20 0 EBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)C2)CC1 ZINC001333926150 841967159 /nfs/dbraw/zinc/96/71/59/841967159.db2.gz BNSJQENTKOESME-HZSPNIEDSA-N 2 0 337.468 -0.875 20 0 EBADRP [NH3+][C@@H]1CCc2ncc(NC(=O)C(=O)NCC[N@@H+]3CC[C@@H](O)C3)cc2C1 ZINC001335198814 842221647 /nfs/dbraw/zinc/22/16/47/842221647.db2.gz IGTKTKPLCTYIMO-TZMCWYRMSA-N 2 0 347.419 -0.981 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCN2C(=O)Cc3ccccc32)CC1 ZINC001335393052 842272522 /nfs/dbraw/zinc/27/25/22/842272522.db2.gz BYDLRFDHKDHUMN-INIZCTEOSA-N 2 0 332.448 -0.226 20 0 EBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCC([NH3+])CC2)CC1 ZINC001335390761 842272692 /nfs/dbraw/zinc/27/26/92/842272692.db2.gz FXXDUXAQJZHAAX-UHFFFAOYSA-N 2 0 338.452 -0.351 20 0 EBADRP C[N@@H+]1CCCN(CCC[NH2+]C[C@@H](O)CC2(O)CCOCC2)CC1 ZINC001335399758 842273277 /nfs/dbraw/zinc/27/32/77/842273277.db2.gz HMDXPWSBLSTSBB-INIZCTEOSA-N 2 0 329.485 -0.104 20 0 EBADRP COCC[NH2+]CCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001335589399 842312054 /nfs/dbraw/zinc/31/20/54/842312054.db2.gz MQANEZSANLZSRT-IYBDPMFKSA-N 3 0 339.484 -0.167 20 0 EBADRP C[C@@H](CNC(=O)N1CCNCC[NH2+]CC1)C[NH+]1CCN(C)CC1 ZINC001336047526 842388363 /nfs/dbraw/zinc/38/83/63/842388363.db2.gz FHPJWOKXGKLXQB-HNNXBMFYSA-N 2 0 326.489 -0.926 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC001336830830 842549105 /nfs/dbraw/zinc/54/91/05/842549105.db2.gz JJMFAHKBUYYJFW-UHFFFAOYSA-N 2 0 340.516 -0.264 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001337337729 842603563 /nfs/dbraw/zinc/60/35/63/842603563.db2.gz GNNFXUNLMYVDBO-ZNMIVQPWSA-N 2 0 338.452 -0.578 20 0 EBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001337471545 842617279 /nfs/dbraw/zinc/61/72/79/842617279.db2.gz QGSNHFOQLDCBOU-ZDUSSCGKSA-N 2 0 325.457 -0.922 20 0 EBADRP CN(C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1)C1(C[NH3+])CCOCC1 ZINC001337850859 842708990 /nfs/dbraw/zinc/70/89/90/842708990.db2.gz RRBMYOHEWOZLLA-CYBMUJFWSA-N 2 0 326.441 -0.637 20 0 EBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC001340080472 842969589 /nfs/dbraw/zinc/96/95/89/842969589.db2.gz UVEAEGRBKFBNJB-AWEZNQCLSA-N 2 0 340.468 -0.511 20 0 EBADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)CNCC[NH3+])cc2)CC1 ZINC001340111538 842971210 /nfs/dbraw/zinc/97/12/10/842971210.db2.gz DNWFDPGUFIRWNE-UHFFFAOYSA-N 2 0 333.480 -0.011 20 0 EBADRP CC[C@H](C(=O)N[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1O)[NH+](C)C ZINC001341548125 843097337 /nfs/dbraw/zinc/09/73/37/843097337.db2.gz VFYUXZFCVHSOAX-RBSFLKMASA-N 2 0 342.484 -0.254 20 0 EBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1=O ZINC001341924781 843126086 /nfs/dbraw/zinc/12/60/86/843126086.db2.gz ZJIXDYKGCVSPNO-SOUVJXGZSA-N 2 0 338.452 -0.759 20 0 EBADRP Cc1ocnc1CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001342135533 843142378 /nfs/dbraw/zinc/14/23/78/843142378.db2.gz QBRUDWSHHYTIGY-CYBMUJFWSA-N 2 0 349.435 -0.116 20 0 EBADRP C[NH+](C)CCCCC(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001343388983 843231655 /nfs/dbraw/zinc/23/16/55/843231655.db2.gz OZPAMBGQECMSBB-KFWWJZLASA-N 2 0 340.468 -0.642 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)C[NH+]1CCN(C)CC1 ZINC001345958307 843465678 /nfs/dbraw/zinc/46/56/78/843465678.db2.gz JITOPEBMQMMZIR-KFWWJZLASA-N 2 0 339.484 -0.770 20 0 EBADRP C[N@@H+]1CCN(CCNC(=O)N2CCNCC[NH2+]CC2)CC1(C)C ZINC001346429931 843518467 /nfs/dbraw/zinc/51/84/67/843518467.db2.gz SCGBFZATSJZYQI-UHFFFAOYSA-N 2 0 326.489 -0.783 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)[C@@H]1CN(C)CCO1 ZINC001348699450 843734383 /nfs/dbraw/zinc/73/43/83/843734383.db2.gz BZKKDQDMVQVEJR-KBPBESRZSA-N 2 0 326.441 -0.578 20 0 EBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CC1 ZINC001348713694 843739095 /nfs/dbraw/zinc/73/90/95/843739095.db2.gz CJUMEFFAONQACU-GASCZTMLSA-N 2 0 349.479 -0.812 20 0 EBADRP CC[C@@H](C(=O)NCCNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC001349030123 843794306 /nfs/dbraw/zinc/79/43/06/843794306.db2.gz BCTDVFLFIZQIEF-KBPBESRZSA-N 2 0 328.457 -0.473 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001349033616 843795836 /nfs/dbraw/zinc/79/58/36/843795836.db2.gz UVBWEDIKHIPMGN-GJZGRUSLSA-N 2 0 340.468 -0.471 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001349993910 843956827 /nfs/dbraw/zinc/95/68/27/843956827.db2.gz DKNHFOZRBQPMMP-OSRDXIQISA-N 2 0 338.452 -0.572 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[NH+](C)C[C@H](O)CN2CCCC2=O)CC[N@@H+]1C ZINC001480866235 1125791854 /nfs/dbraw/zinc/79/18/54/1125791854.db2.gz WPJJQCCXWITSBL-QLFBSQMISA-N 2 0 340.468 -0.642 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1CCCN1C(=O)CNC1=O ZINC001670687292 1125812941 /nfs/dbraw/zinc/81/29/41/1125812941.db2.gz QNNGXNURSDIRQL-LBPRGKRZSA-N 2 0 325.413 -0.930 20 0 EBADRP CC[C@H](C(=O)N1CCCN(C(=O)COCC[NH+](C)C)CC1)[NH+](C)C ZINC001687263061 1125821990 /nfs/dbraw/zinc/82/19/90/1125821990.db2.gz LGPZFHMMLILUKN-OAHLLOKOSA-N 2 0 342.484 -0.034 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+](CCN2C(=O)CCC2=O)C1 ZINC001691171016 1125840450 /nfs/dbraw/zinc/84/04/50/1125840450.db2.gz LOCUIJXNKUKXBR-CQSZACIVSA-N 2 0 338.452 -0.086 20 0 EBADRP CN(CC[NH2+]C[C@H](O)CN1CCCC1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001691278011 1125847714 /nfs/dbraw/zinc/84/77/14/1125847714.db2.gz PVZHNSBFLDMJBD-UONOGXRCSA-N 2 0 326.441 -0.888 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)N(C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001480903103 1125848394 /nfs/dbraw/zinc/84/83/94/1125848394.db2.gz NJDKTEZOIRXRNZ-SRVKXCTJSA-N 2 0 327.429 -0.652 20 0 EBADRP CCN1CCO[C@@H](C(=O)N(C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001408575357 1125869866 /nfs/dbraw/zinc/86/98/66/1125869866.db2.gz VPXPYKGXIBJUGN-ZIAGYGMSSA-N 2 0 326.441 -0.767 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001408575972 1125870358 /nfs/dbraw/zinc/87/03/58/1125870358.db2.gz SQWAIFNFVXOGOV-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP CN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)CC(=O)NC[C@H]1CCCO1 ZINC001480935512 1125881917 /nfs/dbraw/zinc/88/19/17/1125881917.db2.gz OKEFFZHWRPKSIR-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)N(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001480946260 1125889278 /nfs/dbraw/zinc/88/92/78/1125889278.db2.gz LKLQJUUMIITEED-RYUDHWBXSA-N 2 0 327.429 -0.780 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCN(C)[C@@H](C)C(=O)NC(=O)NC ZINC001480951962 1125892696 /nfs/dbraw/zinc/89/26/96/1125892696.db2.gz SPMFNBWUYFKXBG-STQMWFEESA-N 2 0 341.456 -0.247 20 0 EBADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CCN1C(=O)CNC1=O ZINC001480964579 1125901229 /nfs/dbraw/zinc/90/12/29/1125901229.db2.gz CCGQVNJAXRWPRX-LBPRGKRZSA-N 2 0 325.413 -0.930 20 0 EBADRP CNC(=O)NC(=O)CN1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001481031531 1125909632 /nfs/dbraw/zinc/90/96/32/1125909632.db2.gz XSPXSGOMKKVEKP-NEPJUHHUSA-N 2 0 325.413 -0.883 20 0 EBADRP CCC[N@H+](CCNC(=O)CCn1ccnc1)[C@@H]1CCC(=O)NC1=O ZINC001481144175 1125930511 /nfs/dbraw/zinc/93/05/11/1125930511.db2.gz WZLABGDFKAEEBN-CYBMUJFWSA-N 2 0 335.408 -0.093 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001481238300 1125949867 /nfs/dbraw/zinc/94/98/67/1125949867.db2.gz PIXPJOYDGMYRRP-CHWSQXEVSA-N 2 0 341.456 -0.247 20 0 EBADRP CN(CC[NH2+]C[C@H](O)CN1CCCC1=O)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001481247435 1125952393 /nfs/dbraw/zinc/95/23/93/1125952393.db2.gz PEJAFCKGPXKTJC-LSDHHAIUSA-N 2 0 340.468 -0.498 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001481297689 1125968531 /nfs/dbraw/zinc/96/85/31/1125968531.db2.gz HQXZYZUWWGPAGP-GFCCVEGCSA-N 2 0 341.456 -0.262 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)C[C@@H]1C ZINC001671255836 1125994893 /nfs/dbraw/zinc/99/48/93/1125994893.db2.gz AEHMBTIKWLZYSZ-KBPBESRZSA-N 2 0 348.513 -0.155 20 0 EBADRP CN(CCN1CC[NH+](CCn2cccn2)CC1)C(=O)CC[NH+](C)C ZINC001481471035 1125998532 /nfs/dbraw/zinc/99/85/32/1125998532.db2.gz LZCWKGJOCVCVGN-UHFFFAOYSA-N 2 0 336.484 -0.089 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)N1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001481527613 1126008646 /nfs/dbraw/zinc/00/86/46/1126008646.db2.gz XWVXNSGJDMWANM-QJPTWQEYSA-N 2 0 325.413 -0.755 20 0 EBADRP COCCOC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001481692145 1126040289 /nfs/dbraw/zinc/04/02/89/1126040289.db2.gz MFORBHAGADFLQX-JYJNAYRXSA-N 2 0 343.468 -0.315 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001481727689 1126046384 /nfs/dbraw/zinc/04/63/84/1126046384.db2.gz NAMWRSDOENDRPD-CHWSQXEVSA-N 2 0 339.440 -0.413 20 0 EBADRP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]CC(=O)NC(=O)NC ZINC001481814308 1126058107 /nfs/dbraw/zinc/05/81/07/1126058107.db2.gz UHZVPAKOQJGUCN-FRRDWIJNSA-N 2 0 341.456 -0.343 20 0 EBADRP C[NH+]1CCC(C(=O)NC2(C[NH2+]CC(=O)NC(N)=O)CCCC2)CC1 ZINC001481906333 1126065982 /nfs/dbraw/zinc/06/59/82/1126065982.db2.gz XQSRRPHPAQCDLY-UHFFFAOYSA-N 2 0 339.440 -0.458 20 0 EBADRP CC[C@@H](C(=O)N[C@](C)(C[NH2+]Cc1nc(=O)n(C)[nH]1)C1CC1)[NH+](C)C ZINC001481942548 1126068735 /nfs/dbraw/zinc/06/87/35/1126068735.db2.gz OZTHFBYRVIKEAT-BLLLJJGKSA-N 2 0 338.456 -0.177 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001482355340 1126137245 /nfs/dbraw/zinc/13/72/45/1126137245.db2.gz FJCXFYBJXQRFMV-NWDGAFQWSA-N 2 0 329.445 -0.391 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001482365914 1126139335 /nfs/dbraw/zinc/13/93/35/1126139335.db2.gz MYNAFNKJJHECEQ-GJZGRUSLSA-N 2 0 342.484 -0.131 20 0 EBADRP CC(C)C[C@H](CNCc1cn(C)nn1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001482378606 1126141977 /nfs/dbraw/zinc/14/19/77/1126141977.db2.gz IITQODRKNOGCTR-HIFRSBDPSA-N 2 0 338.456 -0.234 20 0 EBADRP O=C(N1CC[C@@]2(C1)CCC[NH2+]C2)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001648981296 1126226295 /nfs/dbraw/zinc/22/62/95/1126226295.db2.gz OPPZGJLOYNQGBQ-QEJZJMRPSA-N 2 0 327.450 -0.777 20 0 EBADRP CN(CC[N@H+](C)CCN1CCNC1=O)C(=O)C[NH+](C)C1CCC1 ZINC001482602669 1126233468 /nfs/dbraw/zinc/23/34/68/1126233468.db2.gz BNWZYXLPIIUEKC-UHFFFAOYSA-N 2 0 325.457 -0.114 20 0 EBADRP O=C(NC[C@H](O)C[NH2+]CCN1CCCC1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482727836 1126268190 /nfs/dbraw/zinc/26/81/90/1126268190.db2.gz CRMYWAWDEADPTP-HUUCEWRRSA-N 2 0 338.452 -0.983 20 0 EBADRP O=C(NC[C@H](O)C[NH2+]CCN1CCCC1=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482727833 1126268254 /nfs/dbraw/zinc/26/82/54/1126268254.db2.gz CRMYWAWDEADPTP-CABCVRRESA-N 2 0 338.452 -0.983 20 0 EBADRP Cc1ncc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cn1 ZINC001482730084 1126268947 /nfs/dbraw/zinc/26/89/47/1126268947.db2.gz SLFQFGKZFBFZKJ-HZPDHXFCSA-N 2 0 333.436 -0.306 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001482756395 1126278633 /nfs/dbraw/zinc/27/86/33/1126278633.db2.gz QZTYRDYGEZTFMQ-CYBMUJFWSA-N 2 0 328.457 -0.594 20 0 EBADRP C[C@@H]([NH2+]C[C@H](O)CNC(=O)C1(C[NH+](C)C)CC1)C(=O)NC(C)(C)C ZINC001482761846 1126280354 /nfs/dbraw/zinc/28/03/54/1126280354.db2.gz HXPZJULDJNBWAU-OLZOCXBDSA-N 2 0 342.484 -0.302 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NCCC(C)(C)C)C1 ZINC001482790835 1126292339 /nfs/dbraw/zinc/29/23/39/1126292339.db2.gz KMKANTBAWQISSZ-ZIAGYGMSSA-N 2 0 342.484 -0.443 20 0 EBADRP C[C@@H](CC[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001482859843 1126298837 /nfs/dbraw/zinc/29/88/37/1126298837.db2.gz CAPNIXPHBPEHDN-SOUVJXGZSA-N 2 0 340.468 -0.452 20 0 EBADRP C[C@@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)COC1CC[NH+](C)CC1 ZINC001482883609 1126299809 /nfs/dbraw/zinc/29/98/09/1126299809.db2.gz RVKJQIHLEXWKDD-JSGCOSHPSA-N 2 0 326.441 -0.530 20 0 EBADRP CCN(CC[NH2+]CC(=O)N1CCO[C@H](C)C1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482913778 1126302537 /nfs/dbraw/zinc/30/25/37/1126302537.db2.gz CAYATPGAOIHUOB-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CCN(CC[NH2+]C[C@H](O)Cn1cccn1)C(=O)C12CC[NH+](CC1)C2 ZINC001482962891 1126306609 /nfs/dbraw/zinc/30/66/09/1126306609.db2.gz CNIJUJNYMJBWFH-HNNXBMFYSA-N 2 0 335.452 -0.222 20 0 EBADRP CCN(CC[NH2+]CC(=O)NC1CCOCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482967699 1126307084 /nfs/dbraw/zinc/30/70/84/1126307084.db2.gz XDHKZVRJGASESJ-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001483008209 1126312029 /nfs/dbraw/zinc/31/20/29/1126312029.db2.gz HVOQOPBDUOPQQE-JHZNUDOXSA-N 2 0 336.436 -0.262 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001691603274 1126324999 /nfs/dbraw/zinc/32/49/99/1126324999.db2.gz XVGMTEBZTAJHIO-UONOGXRCSA-N 2 0 326.441 -0.767 20 0 EBADRP CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001409268467 1126328001 /nfs/dbraw/zinc/32/80/01/1126328001.db2.gz BNKBROZERQLQFW-WLYUNCDWSA-N 2 0 340.468 -0.425 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001483140818 1126345319 /nfs/dbraw/zinc/34/53/19/1126345319.db2.gz OMUBKJHOVAGVAX-VXGBXAGGSA-N 2 0 327.429 -0.589 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC1CCOCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001483141855 1126345625 /nfs/dbraw/zinc/34/56/25/1126345625.db2.gz ZCFCFLLFHQPDKX-UKRRQHHQSA-N 2 0 340.468 -0.140 20 0 EBADRP C[C@H](C[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)NC(=O)CC[NH+](C)C ZINC001483162838 1126349016 /nfs/dbraw/zinc/34/90/16/1126349016.db2.gz PPKOAQVTSXDIHM-OLZOCXBDSA-N 2 0 336.440 -0.429 20 0 EBADRP C[C@H](C[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)NC(=O)CC[NH+](C)C ZINC001483162618 1126349047 /nfs/dbraw/zinc/34/90/47/1126349047.db2.gz JQILVNVVBFOABA-OCCSQVGLSA-N 2 0 336.440 -0.429 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001483167272 1126349376 /nfs/dbraw/zinc/34/93/76/1126349376.db2.gz XYBQLAZDXKBHCZ-CHWSQXEVSA-N 2 0 341.456 -0.342 20 0 EBADRP C[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)COC1CC[NH+](C)CC1 ZINC001483178854 1126350837 /nfs/dbraw/zinc/35/08/37/1126350837.db2.gz YBYGDEUPEAAFJS-OLZOCXBDSA-N 2 0 328.457 -0.332 20 0 EBADRP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001409630448 1126385850 /nfs/dbraw/zinc/38/58/50/1126385850.db2.gz QNIYXJZJMBWUCF-KGLIPLIRSA-N 2 0 348.513 -0.344 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001483244464 1126409869 /nfs/dbraw/zinc/40/98/69/1126409869.db2.gz YIMHDGXWOUMMHV-QWHCGFSZSA-N 2 0 341.456 -0.343 20 0 EBADRP C[C@H](C[N@H+](C)CCCS(=O)(=O)N(C)C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001483417537 1126426221 /nfs/dbraw/zinc/42/62/21/1126426221.db2.gz MHNYTFMHVUJDDV-ZIAGYGMSSA-N 2 0 348.513 -0.344 20 0 EBADRP CN(CCC[NH2+]C[C@H]1CCS(=O)(=O)C1)C(=O)C12CC[NH+](CC1)C2 ZINC001483504538 1126431685 /nfs/dbraw/zinc/43/16/85/1126431685.db2.gz VCJODBIYXRTBTG-CQSZACIVSA-N 2 0 343.493 -0.045 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1([NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001483790802 1126477549 /nfs/dbraw/zinc/47/75/49/1126477549.db2.gz MNAJIMPMLBNMKM-UONOGXRCSA-N 2 0 338.452 -0.576 20 0 EBADRP O=C(CCC[NH+]1CCCC1)NCC1([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001483793689 1126477863 /nfs/dbraw/zinc/47/78/63/1126477863.db2.gz LBXPETMWXXVVTG-ZDUSSCGKSA-N 2 0 336.436 -0.094 20 0 EBADRP O=C(N1CCC[C@H]1C[NH2+]C[C@@H](O)Cn1cccn1)C12CC[NH+](CC1)C2 ZINC001483951579 1126492914 /nfs/dbraw/zinc/49/29/14/1126492914.db2.gz HVDMBKZYWJSOAA-JKSUJKDBSA-N 2 0 347.463 -0.080 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C[C@H]1C ZINC001483915551 1126489119 /nfs/dbraw/zinc/48/91/19/1126489119.db2.gz HHNNUXMRPKZZHO-ZIAGYGMSSA-N 2 0 348.513 -0.154 20 0 EBADRP C[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001484223595 1126526086 /nfs/dbraw/zinc/52/60/86/1126526086.db2.gz HVJKZZYYJRXVSN-YOEHRIQHSA-N 2 0 343.468 -0.721 20 0 EBADRP C[C@H]([NH2+]CC(=O)NC(N)=O)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001484355542 1126565046 /nfs/dbraw/zinc/56/50/46/1126565046.db2.gz HIJGKWLIPJQLGC-RYUDHWBXSA-N 2 0 325.413 -0.896 20 0 EBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001484378597 1126566381 /nfs/dbraw/zinc/56/63/81/1126566381.db2.gz YWTXMHLHOOJHNY-STQMWFEESA-N 2 0 339.440 -0.826 20 0 EBADRP CC[C@@H]([NH2+]C1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001484423590 1126573851 /nfs/dbraw/zinc/57/38/51/1126573851.db2.gz PZFJSMTYUHSBPJ-UKRRQHHQSA-N 2 0 339.484 -0.628 20 0 EBADRP C[C@H]([NH2+]C1CCN(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1)C(N)=O ZINC001484420892 1126574473 /nfs/dbraw/zinc/57/44/73/1126574473.db2.gz RVKKSSJUZNDSGU-DZGCQCFKSA-N 2 0 339.484 -0.485 20 0 EBADRP CCn1nncc1C[NH2+]CCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001484498278 1126598362 /nfs/dbraw/zinc/59/83/62/1126598362.db2.gz GVDQWUTWHWAJFN-UHFFFAOYSA-N 2 0 336.440 -0.696 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001484514482 1126600692 /nfs/dbraw/zinc/60/06/92/1126600692.db2.gz ZVBJBGUSNRVUNB-OLZOCXBDSA-N 2 0 339.440 -0.636 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001484545112 1126602943 /nfs/dbraw/zinc/60/29/43/1126602943.db2.gz JCMTXFHVHLSHER-LBPRGKRZSA-N 2 0 327.429 -0.649 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001484549846 1126603155 /nfs/dbraw/zinc/60/31/55/1126603155.db2.gz NUJCTRPTQCMQGV-CYBMUJFWSA-N 2 0 338.456 -0.222 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CCNS(C)(=O)=O)CCC2)C1 ZINC001484660696 1126614711 /nfs/dbraw/zinc/61/47/11/1126614711.db2.gz MVCPPBGPWMOWLG-ZDUSSCGKSA-N 2 0 346.497 -0.494 20 0 EBADRP Cn1cc(C[NH2+][C@@]2(CO)CCCN(C(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001484857442 1126645530 /nfs/dbraw/zinc/64/55/30/1126645530.db2.gz XZSXOIPLUQQDRW-SFHVURJKSA-N 2 0 347.463 -0.041 20 0 EBADRP Cn1cc(C[NH2+]CC2(NC(=O)[C@@H]3CCC[N@@H+]3C)CCOCC2)nn1 ZINC001484860757 1126646339 /nfs/dbraw/zinc/64/63/39/1126646339.db2.gz VVKSSMBKAMFLTK-AWEZNQCLSA-N 2 0 336.440 -0.336 20 0 EBADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001484893442 1126650977 /nfs/dbraw/zinc/65/09/77/1126650977.db2.gz BPBNNGAYZYZKAO-NEPJUHHUSA-N 2 0 339.440 -0.508 20 0 EBADRP CC[C@H](C(=O)N1CCC(O)(C[NH2+][C@H](C)C(N)=O)CC1)[NH+](CC)CC ZINC001484960902 1126659486 /nfs/dbraw/zinc/65/94/86/1126659486.db2.gz NXYZQTHKTNFPOL-ZIAGYGMSSA-N 2 0 342.484 -0.076 20 0 EBADRP COCCOCC[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001485015835 1126664904 /nfs/dbraw/zinc/66/49/04/1126664904.db2.gz RUJKXYYETDLOPI-HNNXBMFYSA-N 2 0 343.468 -0.313 20 0 EBADRP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001485147967 1126676857 /nfs/dbraw/zinc/67/68/57/1126676857.db2.gz SJXZQLNWCRKOEH-VXGBXAGGSA-N 2 0 341.456 -0.071 20 0 EBADRP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC001485347205 1126691670 /nfs/dbraw/zinc/69/16/70/1126691670.db2.gz GGJRNLIOVTWGOO-GFCCVEGCSA-N 2 0 341.456 -0.295 20 0 EBADRP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001485388419 1126698714 /nfs/dbraw/zinc/69/87/14/1126698714.db2.gz MJNLCJUVCLDMCK-STQMWFEESA-N 2 0 341.456 -0.118 20 0 EBADRP CNC(=O)C[NH2+][C@@H](CCN(C)C(=O)[C@H]1CN(C)CCO1)C(C)C ZINC001485430851 1126716606 /nfs/dbraw/zinc/71/66/06/1126716606.db2.gz DVBFVVWSFQNKCR-UONOGXRCSA-N 2 0 328.457 -0.474 20 0 EBADRP Cc1c(C(=O)N2CCO[C@@H]([C@H](C)[NH2+]CC(N)=O)C2)ccc2c[nH+]cn21 ZINC001485641055 1126784217 /nfs/dbraw/zinc/78/42/17/1126784217.db2.gz NYOMHOBBZDHPPV-XHDPSFHLSA-N 2 0 345.403 -0.053 20 0 EBADRP Cc1c(C(=O)N2CCO[C@H]([C@@H](C)[NH2+]CC(N)=O)C2)ccc2c[nH+]cn21 ZINC001485641052 1126784315 /nfs/dbraw/zinc/78/43/15/1126784315.db2.gz NYOMHOBBZDHPPV-ABAIWWIYSA-N 2 0 345.403 -0.053 20 0 EBADRP Cn1cncc1CCC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001485704325 1126801920 /nfs/dbraw/zinc/80/19/20/1126801920.db2.gz MPWLHFFNFYCWAF-XYPYZODXSA-N 2 0 336.396 -0.968 20 0 EBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)COC1CC[NH2+]CC1)C2 ZINC001649062400 1126867260 /nfs/dbraw/zinc/86/72/60/1126867260.db2.gz MEHIOFBOQRYACQ-OZVIIMIRSA-N 2 0 325.409 -0.506 20 0 EBADRP C[C@@H]([NH3+])CN(C)C(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC001649041709 1126862439 /nfs/dbraw/zinc/86/24/39/1126862439.db2.gz RMOWPPVXWNWWKP-MRVPVSSYSA-N 2 0 331.214 -0.011 20 0 EBADRP CN(C(=O)C[NH+]1CCCC1)[C@H](C[NH2+][C@@H]1CCC(=O)NC1=O)C1CC1 ZINC001485835499 1126890529 /nfs/dbraw/zinc/89/05/29/1126890529.db2.gz YXMNUOSZJIHZBJ-ZIAGYGMSSA-N 2 0 336.436 -0.286 20 0 EBADRP C[C@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+]CCNS(C)(=O)=O ZINC001485881745 1126905293 /nfs/dbraw/zinc/90/52/93/1126905293.db2.gz KJWKXXMNXBCGCK-GFCCVEGCSA-N 2 0 334.486 -0.544 20 0 EBADRP C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]CCN1C(=O)CCC1=O ZINC001485916264 1126915257 /nfs/dbraw/zinc/91/52/57/1126915257.db2.gz NDGYQWQLHAUBTN-ZDUSSCGKSA-N 2 0 338.452 -0.086 20 0 EBADRP C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]CC(=O)N1CCOCC1 ZINC001485920076 1126916139 /nfs/dbraw/zinc/91/61/39/1126916139.db2.gz QTDCBIFYAQOWJB-CQSZACIVSA-N 2 0 340.468 -0.377 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001485921953 1126916283 /nfs/dbraw/zinc/91/62/83/1126916283.db2.gz FPRPOVZFBMAPQL-NEPJUHHUSA-N 2 0 327.429 -0.780 20 0 EBADRP CNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001486049374 1126999947 /nfs/dbraw/zinc/99/99/47/1126999947.db2.gz CZFWBCRPDRXAMT-SWLSCSKDSA-N 2 0 340.468 -0.690 20 0 EBADRP CO[C@H](C[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2)C1CCC1 ZINC001486053331 1127022660 /nfs/dbraw/zinc/02/26/60/1127022660.db2.gz YVWRWQBFEMCJMH-HUUCEWRRSA-N 2 0 325.453 -0.036 20 0 EBADRP CN(C[C@H](O)C[NH2+]Cc1cncs1)C(=O)[C@@H]1CN(C)CCO1 ZINC001486266367 1127089506 /nfs/dbraw/zinc/08/95/06/1127089506.db2.gz FEIMLABRBSTCBL-YPMHNXCESA-N 2 0 328.438 -0.617 20 0 EBADRP Cc1nn(C)cc1C[NH2+]C[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001486298839 1127106040 /nfs/dbraw/zinc/10/60/40/1127106040.db2.gz YHKYQFJSKZOSLC-MRXNPFEDSA-N 2 0 337.468 -0.021 20 0 EBADRP Cc1nn(C)cc1C[NH2+]C[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001486298838 1127106279 /nfs/dbraw/zinc/10/62/79/1127106279.db2.gz YHKYQFJSKZOSLC-INIZCTEOSA-N 2 0 337.468 -0.021 20 0 EBADRP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001486317382 1127119642 /nfs/dbraw/zinc/11/96/42/1127119642.db2.gz HEUKBBKSBUIVIU-DZGCQCFKSA-N 2 0 328.457 -0.738 20 0 EBADRP C[C@@H]([NH2+]C1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1)C(=O)NC(N)=O ZINC001486480445 1127184573 /nfs/dbraw/zinc/18/45/73/1127184573.db2.gz HXRNJZZZAOYHAJ-VOMCLLRMSA-N 2 0 337.424 -0.755 20 0 EBADRP CN(CCOCC[NH2+][C@H]1CCCNC1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001486494463 1127188278 /nfs/dbraw/zinc/18/82/78/1127188278.db2.gz LATNVBUEZPUTIH-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP CN(CCOCC[NH2+][C@H]1CCNC1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001486498445 1127191778 /nfs/dbraw/zinc/19/17/78/1127191778.db2.gz AQKMGUHSZWXRAB-KBPBESRZSA-N 2 0 326.441 -0.719 20 0 EBADRP CN(CCOCC[NH2+][C@@H]1CCNC1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001486498449 1127192103 /nfs/dbraw/zinc/19/21/03/1127192103.db2.gz AQKMGUHSZWXRAB-ZIAGYGMSSA-N 2 0 326.441 -0.719 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@H](O)CNC(=O)CCC[NH+](C)C)CC[N@@H+]1C ZINC001410118204 1127582615 /nfs/dbraw/zinc/58/26/15/1127582615.db2.gz FFNBFLPQEOKRLF-MGPQQGTHSA-N 2 0 328.457 -0.738 20 0 EBADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC001410122205 1127585959 /nfs/dbraw/zinc/58/59/59/1127585959.db2.gz WYDPJUGFPJELAN-JRATXPSKSA-N 2 0 340.443 -0.022 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001410128995 1127594558 /nfs/dbraw/zinc/59/45/58/1127594558.db2.gz MOVGMCDSCSLLFS-SOUVJXGZSA-N 2 0 342.484 -0.350 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC001410143749 1127606762 /nfs/dbraw/zinc/60/67/62/1127606762.db2.gz HVUJGQFHJJVZSH-SOUVJXGZSA-N 2 0 342.484 -0.350 20 0 EBADRP CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)C1CC[NH+](C)CC1)[NH+](C)C ZINC001410156910 1127618013 /nfs/dbraw/zinc/61/80/13/1127618013.db2.gz XBZUOOVJJZHZSF-KBPBESRZSA-N 2 0 328.457 -0.738 20 0 EBADRP C[C@@H]([NH2+]CC(=O)N(C)C)[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001410166391 1127624018 /nfs/dbraw/zinc/62/40/18/1127624018.db2.gz ZAZARKIXONQGLC-ZIAGYGMSSA-N 2 0 340.468 -0.236 20 0 EBADRP C[C@@H]([NH2+]CCO)[C@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CCO1 ZINC001410164034 1127622781 /nfs/dbraw/zinc/62/27/81/1127622781.db2.gz XUEUMZCPOJENJH-UKRRQHHQSA-N 2 0 339.440 -0.744 20 0 EBADRP CC1CC[NH+](CC(=O)NC[C@@H](O)CNC(=O)CC[NH+](C)C)CC1 ZINC001410167143 1127624398 /nfs/dbraw/zinc/62/43/98/1127624398.db2.gz PQMUKCLGRBHJGT-AWEZNQCLSA-N 2 0 328.457 -0.737 20 0 EBADRP CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N1CCOCC1)[NH+](C)C ZINC001410387696 1127697249 /nfs/dbraw/zinc/69/72/49/1127697249.db2.gz QMQGQSFEKAFKMI-ZBFHGGJFSA-N 2 0 342.484 -0.132 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001410432643 1127712986 /nfs/dbraw/zinc/71/29/86/1127712986.db2.gz IIRSSHALRILRFP-QWHCGFSZSA-N 2 0 343.472 -0.003 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1cccc(C(N)=O)c1 ZINC001410584708 1127759007 /nfs/dbraw/zinc/75/90/07/1127759007.db2.gz JWHNBFOPPMJPAL-CABCVRRESA-N 2 0 334.420 -0.554 20 0 EBADRP CNC(=O)c1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001410586112 1127759897 /nfs/dbraw/zinc/75/98/97/1127759897.db2.gz LOZQMTYRSNUMRA-HZPDHXFCSA-N 2 0 348.447 -0.293 20 0 EBADRP Cc1c(C(=O)NC[C@H](CO)[NH2+][C@H]2CCCNC2=O)ccc2c[nH+]cn21 ZINC001410662022 1127797631 /nfs/dbraw/zinc/79/76/31/1127797631.db2.gz FOJKSRRNNJTZTP-DOMZBBRYSA-N 2 0 345.403 -0.398 20 0 EBADRP Cc1nnc([C@@H](C)N[C@H](CO)CNC(=O)C23CCC[NH+]2CCC3)[nH]1 ZINC001410681931 1127810571 /nfs/dbraw/zinc/81/05/71/1127810571.db2.gz CWDQRHPHFLSTFD-YPMHNXCESA-N 2 0 336.440 -0.131 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]C[C@@H](O)CC(F)(F)F)CC1 ZINC001410741738 1127855909 /nfs/dbraw/zinc/85/59/09/1127855909.db2.gz ZNOHZNICOOUXTN-NEPJUHHUSA-N 2 0 341.374 -0.292 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001410745363 1127857943 /nfs/dbraw/zinc/85/79/43/1127857943.db2.gz APDIDRXJGTXHND-ZIAGYGMSSA-N 2 0 328.457 -0.738 20 0 EBADRP CCN1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2cnccc2C)C1 ZINC001410782833 1127886384 /nfs/dbraw/zinc/88/63/84/1127886384.db2.gz KFHGJKYMYNVQOS-HZPDHXFCSA-N 2 0 336.436 -0.323 20 0 EBADRP C[C@@H]1[C@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001410865034 1127921840 /nfs/dbraw/zinc/92/18/40/1127921840.db2.gz USIJSIDPDVCUEW-CHWSQXEVSA-N 2 0 339.440 -0.508 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001410873483 1127925326 /nfs/dbraw/zinc/92/53/26/1127925326.db2.gz VKJZSZILFHXVLD-QWHCGFSZSA-N 2 0 339.440 -0.493 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001410958288 1127952180 /nfs/dbraw/zinc/95/21/80/1127952180.db2.gz PJUFMFYKZOLWSQ-STQMWFEESA-N 2 0 341.456 -0.343 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001410958262 1127952345 /nfs/dbraw/zinc/95/23/45/1127952345.db2.gz PJUFMFYKZOLWSQ-OLZOCXBDSA-N 2 0 341.456 -0.343 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CC(=O)NCC1CC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001411000376 1127968357 /nfs/dbraw/zinc/96/83/57/1127968357.db2.gz HUSIPUYBVDCGQI-UONOGXRCSA-N 2 0 326.441 -0.984 20 0 EBADRP CC(C)[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001411085151 1128008842 /nfs/dbraw/zinc/00/88/42/1128008842.db2.gz OUSGRCBOKXNNTE-DZGCQCFKSA-N 2 0 328.457 -0.786 20 0 EBADRP CN(C[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)CC[NH+]1CCCCC1 ZINC001411122200 1128023828 /nfs/dbraw/zinc/02/38/28/1128023828.db2.gz GVQCYLBEURKTPB-HUUCEWRRSA-N 2 0 340.468 -0.498 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001411147343 1128040282 /nfs/dbraw/zinc/04/02/82/1128040282.db2.gz PBNPXRYPUPHPRU-ZIAGYGMSSA-N 2 0 328.457 -0.738 20 0 EBADRP CN(C[C@H](O)C[N@H+](C)[C@@H]1CCNC1=O)C(=O)C[NH+](C)C1CCC1 ZINC001411169831 1128067899 /nfs/dbraw/zinc/06/78/99/1128067899.db2.gz PBHKCBIKSWCNIE-ZIAGYGMSSA-N 2 0 326.441 -0.890 20 0 EBADRP C[C@H]([NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C)C(=O)NC(N)=O ZINC001411228261 1128098837 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APPWRFHFWFIOGQ-HUUCEWRRSA-N 2 0 338.452 -0.575 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@H](CO)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001488079623 1128614040 /nfs/dbraw/zinc/61/40/40/1128614040.db2.gz GTNOWYJKWAGLHS-HUUCEWRRSA-N 2 0 340.468 -0.737 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001488079853 1128585873 /nfs/dbraw/zinc/58/58/73/1128585873.db2.gz KSCYOPMUKLSVML-KBPBESRZSA-N 2 0 328.457 -0.594 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H](CO)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001488085501 1128590451 /nfs/dbraw/zinc/59/04/51/1128590451.db2.gz PYFLOSNHKPMPRU-AWEZNQCLSA-N 2 0 340.468 -0.593 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)CNC(=O)C[NH+]2CCCC2)C1 ZINC001488409378 1128744566 /nfs/dbraw/zinc/74/45/66/1128744566.db2.gz LEVSICRREGXEEV-HUUCEWRRSA-N 2 0 340.468 -0.641 20 0 EBADRP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+][C@H](C)C(N)=O ZINC001489016354 1128899213 /nfs/dbraw/zinc/89/92/13/1128899213.db2.gz BJZBLAAKRKJTJM-MGPQQGTHSA-N 2 0 338.452 -0.591 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCOCCO)CC[C@@H]2C1 ZINC001489199775 1128930677 /nfs/dbraw/zinc/93/06/77/1128930677.db2.gz OQLFENYGAUDHKC-OWCLPIDISA-N 2 0 325.453 -0.130 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001489203298 1128930894 /nfs/dbraw/zinc/93/08/94/1128930894.db2.gz WFNVGGCIGLBCIR-CABCVRRESA-N 2 0 337.468 -0.256 20 0 EBADRP CC[C@@H](C(=O)NCCC[N@H+](C)[C@H](C)C(=O)NC(=O)NC)[NH+](C)C ZINC001490250164 1129152282 /nfs/dbraw/zinc/15/22/82/1129152282.db2.gz DPWLNKYSGWAJNI-NEPJUHHUSA-N 2 0 329.445 -0.391 20 0 EBADRP C[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)CC(=O)NC(N)=O ZINC001490256739 1129154187 /nfs/dbraw/zinc/15/41/87/1129154187.db2.gz WHFSTIBPVAUMEU-UHFFFAOYSA-N 2 0 327.429 -0.649 20 0 EBADRP C[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001490305365 1129160335 /nfs/dbraw/zinc/16/03/35/1129160335.db2.gz GFUCACAHAOUBLK-RYUDHWBXSA-N 2 0 327.429 -0.508 20 0 EBADRP C[C@H](F)CC[NH+]1CCN(CCNC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001490486760 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348.447 -0.238 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001413970803 1130876765 /nfs/dbraw/zinc/87/67/65/1130876765.db2.gz FZBYLCFHXZGTRP-RRFJBIMHSA-N 2 0 340.468 -0.642 20 0 EBADRP COC1CC[NH+](CCNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001357428914 1131087050 /nfs/dbraw/zinc/08/70/50/1131087050.db2.gz SXIRMWYOWNQCSA-AWEZNQCLSA-N 2 0 326.441 -0.589 20 0 EBADRP [NH3+]CCN1CCC[C@H](C(=O)NCCCCCN2CC[NH2+]CC2)C1=O ZINC001358214417 1131172320 /nfs/dbraw/zinc/17/23/20/1131172320.db2.gz UWSDIOWBXVFGJR-OAHLLOKOSA-N 2 0 339.484 -0.625 20 0 EBADRP C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001363239956 1131844903 /nfs/dbraw/zinc/84/49/03/1131844903.db2.gz DCCBATVUHJHWLR-MGPQQGTHSA-N 2 0 333.498 -0.135 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C2(CO)CCOCC2)C[C@H]1C[NH+](C)C ZINC001363243177 1131846731 /nfs/dbraw/zinc/84/67/31/1131846731.db2.gz NMRJZHBAFRQYNO-HUUCEWRRSA-N 2 0 327.469 -0.027 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C[NH+]2CCC(CO)CC2)C[C@H]1C[NH+](C)C ZINC001363511956 1131983731 /nfs/dbraw/zinc/98/37/31/1131983731.db2.gz GMPDQEAFRBQNLM-IAGOWNOFSA-N 3 0 340.512 -0.112 20 0 EBADRP CCS(=O)(=O)N(C)CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001363569873 1132017999 /nfs/dbraw/zinc/01/79/99/1132017999.db2.gz IYFJQTDEQXXNKR-ZIAGYGMSSA-N 2 0 348.513 -0.534 20 0 EBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC001364223621 1132243715 /nfs/dbraw/zinc/24/37/15/1132243715.db2.gz ZMIMQRCZQBBBLN-HZPDHXFCSA-N 2 0 341.500 -0.232 20 0 EBADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](CO)[C@H](CCO)C2)CC1 ZINC001364529863 1132352036 /nfs/dbraw/zinc/35/20/36/1132352036.db2.gz LOJAXTOIAHOHQZ-CABCVRRESA-N 2 0 327.469 -0.102 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCc2nnnn2CC1 ZINC001364671364 1132389243 /nfs/dbraw/zinc/38/92/43/1132389243.db2.gz DTPPPBGMYROOSV-ZDUSSCGKSA-N 2 0 338.460 -0.487 20 0 EBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001365556117 1132719085 /nfs/dbraw/zinc/71/90/85/1132719085.db2.gz TUEBBBILBXVIEU-HOTGVXAUSA-N 2 0 341.500 -0.232 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001365830300 1132822340 /nfs/dbraw/zinc/82/23/40/1132822340.db2.gz BJNCAVOHBNHOLA-AVGNSLFASA-N 2 0 339.440 -0.462 20 0 EBADRP CS(=O)(=O)CC[NH2+][C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001365838211 1132826183 /nfs/dbraw/zinc/82/61/83/1132826183.db2.gz APWWHAZIAYDEMX-JOCQHMNTSA-N 2 0 329.466 -0.389 20 0 EBADRP CN(CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1)S(C)(=O)=O ZINC001365840007 1132827101 /nfs/dbraw/zinc/82/71/01/1132827101.db2.gz OUZSNKMQAKOHNS-MGPQQGTHSA-N 2 0 346.497 -0.544 20 0 EBADRP C[NH+](C)CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC(N)=O)CC1 ZINC001365875193 1132851916 /nfs/dbraw/zinc/85/19/16/1132851916.db2.gz NJMVXKYOMIEMAK-YJNKXOJESA-N 2 0 334.464 -0.018 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001365884594 1132863825 /nfs/dbraw/zinc/86/38/25/1132863825.db2.gz AVWQUWXLLOPUGI-PMPSAXMXSA-N 2 0 337.464 -0.130 20 0 EBADRP C[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001365934501 1132895994 /nfs/dbraw/zinc/89/59/94/1132895994.db2.gz UNGMULOPJRVGQK-STQMWFEESA-N 2 0 339.440 -0.364 20 0 EBADRP C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001365934498 1132896213 /nfs/dbraw/zinc/89/62/13/1132896213.db2.gz UNGMULOPJRVGQK-CHWSQXEVSA-N 2 0 339.440 -0.364 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC23CC[NH+](CC(=O)NC(N)=O)CC3)C1 ZINC001366014997 1132970014 /nfs/dbraw/zinc/97/00/14/1132970014.db2.gz OYBGVGZQFZUXHN-RYUDHWBXSA-N 2 0 337.424 -0.896 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)s1 ZINC001366156142 1133030345 /nfs/dbraw/zinc/03/03/45/1133030345.db2.gz POJYFZHJABJLID-PHIMTYICSA-N 2 0 340.453 -0.026 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001366166060 1133035595 /nfs/dbraw/zinc/03/55/95/1133035595.db2.gz RADCDIUOKSALNT-SYQHCUMBSA-N 2 0 326.441 -0.674 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001366171700 1133037772 /nfs/dbraw/zinc/03/77/72/1133037772.db2.gz LGMDSPPXLDGOAX-NDBYEHHHSA-N 2 0 339.440 -0.319 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001366208008 1133056484 /nfs/dbraw/zinc/05/64/84/1133056484.db2.gz OUCYWBKPCDTMSO-RYUDHWBXSA-N 2 0 327.429 -0.650 20 0 EBADRP CC[N@H+](C)CCC(=O)NC1CCC([NH2+]CC(=O)NC(=O)NC)CC1 ZINC001366249948 1133073346 /nfs/dbraw/zinc/07/33/46/1133073346.db2.gz VXJDAXQFUSVSKE-UHFFFAOYSA-N 2 0 341.456 -0.199 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001366343039 1133106002 /nfs/dbraw/zinc/10/60/02/1133106002.db2.gz HWYVEQHXGSQUOL-LBPRGKRZSA-N 2 0 339.440 -0.588 20 0 EBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001366355280 1133109143 /nfs/dbraw/zinc/10/91/43/1133109143.db2.gz CCSGWCZYFQXATN-KBPBESRZSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CC(=O)N1CCC1 ZINC001366354992 1133109395 /nfs/dbraw/zinc/10/93/95/1133109395.db2.gz BHYCMBAGARDMSI-UONOGXRCSA-N 2 0 326.441 -0.719 20 0 EBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001366379102 1133119215 /nfs/dbraw/zinc/11/92/15/1133119215.db2.gz KWEYCSZMIAEGEG-KBPBESRZSA-N 2 0 339.440 -0.744 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)[C@H](C)C(=O)NC(N)=O)C1 ZINC001366446092 1133146809 /nfs/dbraw/zinc/14/68/09/1133146809.db2.gz GGWUUSWDYCUKCK-OLZOCXBDSA-N 2 0 341.456 -0.166 20 0 EBADRP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001366450057 1133147242 /nfs/dbraw/zinc/14/72/42/1133147242.db2.gz JMUMDLBMXQPAJE-DGCLKSJQSA-N 2 0 339.440 -0.447 20 0 EBADRP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001366450068 1133147316 /nfs/dbraw/zinc/14/73/16/1133147316.db2.gz JMUMDLBMXQPAJE-YPMHNXCESA-N 2 0 339.440 -0.447 20 0 EBADRP C[C@@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCN1CCNC1=O ZINC001366460227 1133148894 /nfs/dbraw/zinc/14/88/94/1133148894.db2.gz AXTZECJXSSHPFC-ZFWWWQNUSA-N 2 0 337.468 -0.162 20 0 EBADRP C[C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)N1CCOCC1 ZINC001366471454 1133152033 /nfs/dbraw/zinc/15/20/33/1133152033.db2.gz HSBNRWVFEKVCAK-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H](CCNC(=O)COC1CC[NH+](C)CC1)[NH2+][C@H]1CCNC1=O ZINC001366500831 1133159546 /nfs/dbraw/zinc/15/95/46/1133159546.db2.gz QIOMDJQFCFYJGF-JSGCOSHPSA-N 2 0 326.441 -0.530 20 0 EBADRP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nnc2n1CCOC2 ZINC001366513468 1133163456 /nfs/dbraw/zinc/16/34/56/1133163456.db2.gz ZMQPQRAEVGVYDW-STQMWFEESA-N 2 0 336.440 -0.256 20 0 EBADRP CN(C)S(=O)(=O)CCC[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001366585236 1133198073 /nfs/dbraw/zinc/19/80/73/1133198073.db2.gz OJADPOCMXQPJMM-UHFFFAOYSA-N 2 0 346.497 -0.588 20 0 EBADRP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001366691905 1133252374 /nfs/dbraw/zinc/25/23/74/1133252374.db2.gz XZCQSXCSUIPAID-CYBMUJFWSA-N 2 0 341.456 -0.388 20 0 EBADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+](CC(=O)NC(=O)NC)C1 ZINC001366704609 1133263981 /nfs/dbraw/zinc/26/39/81/1133263981.db2.gz JMLOKKMPYSCVBI-ZDUSSCGKSA-N 2 0 341.456 -0.388 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001366777741 1133294797 /nfs/dbraw/zinc/29/47/97/1133294797.db2.gz SGHWBPPDFTTYCE-NSHDSACASA-N 2 0 327.429 -0.780 20 0 EBADRP CC[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001366779383 1133295687 /nfs/dbraw/zinc/29/56/87/1133295687.db2.gz WVOUKQJMXQDFHC-AAEUAGOBSA-N 2 0 341.456 -0.249 20 0 EBADRP CC[C@H](C(=O)N1CCC(C[N@H+](C)CC(=O)NC(N)=O)CC1)[NH+](C)C ZINC001366877460 1133336500 /nfs/dbraw/zinc/33/65/00/1133336500.db2.gz FSWGWRZPLMGLDT-CYBMUJFWSA-N 2 0 341.456 -0.308 20 0 EBADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)C(=O)NC(N)=O ZINC001366886868 1133342084 /nfs/dbraw/zinc/34/20/84/1133342084.db2.gz FVSBTVCDAVKADS-AVGNSLFASA-N 2 0 339.440 -0.365 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1C[NH+](CCn2cccn2)C1 ZINC001366987676 1133404305 /nfs/dbraw/zinc/40/43/05/1133404305.db2.gz GCDOSFZDGUMAMF-OAHLLOKOSA-N 2 0 335.452 -0.101 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1C[NH+](CCn2cccn2)C1 ZINC001366987673 1133404522 /nfs/dbraw/zinc/40/45/22/1133404522.db2.gz GCDOSFZDGUMAMF-HNNXBMFYSA-N 2 0 335.452 -0.101 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001367094832 1133473617 /nfs/dbraw/zinc/47/36/17/1133473617.db2.gz UDATVVHNUHOOTG-NEPJUHHUSA-N 2 0 327.429 -0.589 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001367094838 1133473631 /nfs/dbraw/zinc/47/36/31/1133473631.db2.gz UDATVVHNUHOOTG-RYUDHWBXSA-N 2 0 327.429 -0.589 20 0 EBADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1)C(=O)NC(N)=O ZINC001367203590 1133500277 /nfs/dbraw/zinc/50/02/77/1133500277.db2.gz XYMIJUJDTLUFRE-FDYHWXHSSA-N 2 0 339.440 -0.319 20 0 EBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CC(=O)N1CCOCC1 ZINC001367238659 1133511333 /nfs/dbraw/zinc/51/13/33/1133511333.db2.gz HXKMGBAYOPDSJI-RRFJBIMHSA-N 2 0 340.468 -0.473 20 0 EBADRP C[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)C[NH2+]Cc1cnn(C)n1 ZINC001367287050 1133527167 /nfs/dbraw/zinc/52/71/67/1133527167.db2.gz PIXXOAGKNLWUQI-KBPBESRZSA-N 2 0 338.456 -0.375 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001367385970 1133573340 /nfs/dbraw/zinc/57/33/40/1133573340.db2.gz OOYRBMRILRDHNQ-LBPRGKRZSA-N 2 0 341.456 -0.390 20 0 EBADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001367433838 1133588726 /nfs/dbraw/zinc/58/87/26/1133588726.db2.gz FKTFOGRTVNWUSF-VXGBXAGGSA-N 2 0 339.440 -0.508 20 0 EBADRP CC(C)[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001367467783 1133595448 /nfs/dbraw/zinc/59/54/48/1133595448.db2.gz DIEQEIDNADIVNR-OLZOCXBDSA-N 2 0 341.456 -0.214 20 0 EBADRP CC(C)[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001367467787 1133595586 /nfs/dbraw/zinc/59/55/86/1133595586.db2.gz DIEQEIDNADIVNR-QWHCGFSZSA-N 2 0 341.456 -0.214 20 0 EBADRP COc1nscc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001367601451 1133678911 /nfs/dbraw/zinc/67/89/11/1133678911.db2.gz GOVGYWJMCRGBRJ-NWDGAFQWSA-N 2 0 328.438 -0.187 20 0 EBADRP C[C@H]([NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1)C(=O)NC(C)(C)C ZINC001367623393 1133708906 /nfs/dbraw/zinc/70/89/06/1133708906.db2.gz KRWAZVXNIOKNHV-QWHCGFSZSA-N 2 0 328.457 -0.548 20 0 EBADRP C[C@H](CC[NH2+][C@H](C)C(=O)NC(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001367636341 1133724754 /nfs/dbraw/zinc/72/47/54/1133724754.db2.gz IQIIUJYBAUHALH-VXGBXAGGSA-N 2 0 339.440 -0.317 20 0 EBADRP C[C@@H]([NH2+]CC[C@H](C)NC(=O)C12CCC[NH+]1CCC2)C(=O)NC(N)=O ZINC001367636339 1133724927 /nfs/dbraw/zinc/72/49/27/1133724927.db2.gz IQIIUJYBAUHALH-NWDGAFQWSA-N 2 0 339.440 -0.317 20 0 EBADRP C[C@@H](CC[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001367636340 1133725151 /nfs/dbraw/zinc/72/51/51/1133725151.db2.gz IQIIUJYBAUHALH-RYUDHWBXSA-N 2 0 339.440 -0.317 20 0 EBADRP CCN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)COC1CC[NH+](C)CC1 ZINC001367660829 1133734265 /nfs/dbraw/zinc/73/42/65/1133734265.db2.gz UQOZKUGWXPOABC-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001367740137 1133767060 /nfs/dbraw/zinc/76/70/60/1133767060.db2.gz ISVSUNALYZVYCF-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001367999481 1133888114 /nfs/dbraw/zinc/88/81/14/1133888114.db2.gz AIXILYRYJHVRTQ-IJLUTSLNSA-N 2 0 339.440 -0.591 20 0 EBADRP C[NH+](C)CCC(=O)NCC1([NH2+]CC(=O)NC(=O)NC(C)(C)C)CC1 ZINC001368020237 1133899903 /nfs/dbraw/zinc/89/99/03/1133899903.db2.gz XKXGLXHTISNMFM-UHFFFAOYSA-N 2 0 341.456 -0.199 20 0 EBADRP COCC[N@H+](CC(N)=O)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001368050757 1133913316 /nfs/dbraw/zinc/91/33/16/1133913316.db2.gz IPQYSCAUBDMGBK-UKRRQHHQSA-N 2 0 340.468 -0.249 20 0 EBADRP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1)C(=O)NC(N)=O ZINC001368105056 1133940543 /nfs/dbraw/zinc/94/05/43/1133940543.db2.gz CWKYQKSFWDTSNL-DGCLKSJQSA-N 2 0 339.440 -0.508 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C[C@H]1C ZINC001368107591 1133941141 /nfs/dbraw/zinc/94/11/41/1133941141.db2.gz ONGQRZMXJDXEGD-OLZOCXBDSA-N 2 0 341.456 -0.118 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2C[NH2+]CC(=O)NC(N)=O)C1 ZINC001368121735 1133947637 /nfs/dbraw/zinc/94/76/37/1133947637.db2.gz HIVJSFCEACVBRS-NWDGAFQWSA-N 2 0 325.413 -0.896 20 0 EBADRP NC(=O)NC(=O)C[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CCCC1 ZINC001368141115 1133954992 /nfs/dbraw/zinc/95/49/92/1133954992.db2.gz AVUDOAQTHLYYHJ-CYBMUJFWSA-N 2 0 339.440 -0.458 20 0 EBADRP C[C@H]([NH2+]C[C@]1(C)CCN(C(=O)COC2CC[NH+](C)CC2)C1)C(N)=O ZINC001368190990 1133986045 /nfs/dbraw/zinc/98/60/45/1133986045.db2.gz ITQKADCPNYSYOU-GUYCJALGSA-N 2 0 340.468 -0.201 20 0 EBADRP CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCOCC1 ZINC001368232998 1134000816 /nfs/dbraw/zinc/00/08/16/1134000816.db2.gz GSASXMRUTWTJAW-OAHLLOKOSA-N 2 0 342.484 -0.036 20 0 EBADRP C[NH+](C)CCC(=O)NCC1([NH2+]CCN2CCCC2=O)CCOCC1 ZINC001368235065 1134002258 /nfs/dbraw/zinc/00/22/58/1134002258.db2.gz ZASZKXCVMHHJCP-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP CCNC(=O)C[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCOCC1 ZINC001368238716 1134007261 /nfs/dbraw/zinc/00/72/61/1134007261.db2.gz FCHYLTQGFMMCDG-UHFFFAOYSA-N 2 0 328.457 -0.282 20 0 EBADRP CN(C)C(=O)C[NH2+]C1CCN(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001368362621 1134166422 /nfs/dbraw/zinc/16/64/22/1134166422.db2.gz FPXMZMWDXYJXIW-AWEZNQCLSA-N 2 0 339.484 -0.804 20 0 EBADRP C[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H](C)[NH+]1CCCCCC1)C(N)=O ZINC001368393204 1134195755 /nfs/dbraw/zinc/19/57/55/1134195755.db2.gz DSGIIQJXOKMRIO-ZIAGYGMSSA-N 2 0 328.457 -0.465 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+][C@@H]1CCCNC1=O ZINC001368393294 1134195943 /nfs/dbraw/zinc/19/59/43/1134195943.db2.gz CUNAHDDPJWCAKB-HUUCEWRRSA-N 2 0 340.468 -0.450 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001368395856 1134197849 /nfs/dbraw/zinc/19/78/49/1134197849.db2.gz SKQTXHJTKUKCAH-CQSZACIVSA-N 2 0 342.484 -0.204 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CCCCN2C(=O)CCC[NH+](C)C)nc1=O ZINC001368462751 1134241571 /nfs/dbraw/zinc/24/15/71/1134241571.db2.gz VHCXIIDKBSDYEX-CYBMUJFWSA-N 2 0 338.456 -0.079 20 0 EBADRP NC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCC1 ZINC001368476792 1134246312 /nfs/dbraw/zinc/24/63/12/1134246312.db2.gz XFUTZMQOYXTLLH-LBPRGKRZSA-N 2 0 337.424 -0.848 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1)[NH+](C)C ZINC001368480845 1134247934 /nfs/dbraw/zinc/24/79/34/1134247934.db2.gz TXDUHKDTWNCDRD-SCRDCRAPSA-N 2 0 338.456 -0.321 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001368521570 1134272736 /nfs/dbraw/zinc/27/27/36/1134272736.db2.gz VMFAJLGPBQMTEP-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001368521574 1134272803 /nfs/dbraw/zinc/27/28/03/1134272803.db2.gz VMFAJLGPBQMTEP-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@H](O)Cn3cccn3)C2)C1 ZINC001368534896 1134279195 /nfs/dbraw/zinc/27/91/95/1134279195.db2.gz FJNXICHBARVJBP-JONQDZQNSA-N 2 0 335.452 -0.320 20 0 EBADRP CCNC(=O)NC(=O)C[N@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001368564798 1134292845 /nfs/dbraw/zinc/29/28/45/1134292845.db2.gz LOSIIUFLMTVFIZ-UHFFFAOYSA-N 2 0 341.456 -0.292 20 0 EBADRP COC[C@@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001368620967 1134332687 /nfs/dbraw/zinc/33/26/87/1134332687.db2.gz HRAMTFVXRCXHSA-UXLLHSPISA-N 2 0 345.484 -0.477 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@](CO)([NH2+]CCn2cncn2)C1 ZINC001368636009 1134347758 /nfs/dbraw/zinc/34/77/58/1134347758.db2.gz YZKWLEDTHNILFZ-MRXNPFEDSA-N 2 0 338.456 -0.437 20 0 EBADRP COC[C@@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001368635795 1134347951 /nfs/dbraw/zinc/34/79/51/1134347951.db2.gz XBIUQDWLEFRQSO-WMLDXEAASA-N 2 0 341.452 -0.967 20 0 EBADRP COC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001368645665 1134352267 /nfs/dbraw/zinc/35/22/67/1134352267.db2.gz PHVLQJUEDYHVOS-OAGGEKHMSA-N 2 0 343.468 -0.457 20 0 EBADRP CNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001368668477 1134366006 /nfs/dbraw/zinc/36/60/06/1134366006.db2.gz DRZJLEQGRYCYJX-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP CNC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001368685719 1134385241 /nfs/dbraw/zinc/38/52/41/1134385241.db2.gz JLOARDJUVZOGIR-CQSZACIVSA-N 2 0 340.468 -0.452 20 0 EBADRP COC[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001368693131 1134394143 /nfs/dbraw/zinc/39/41/43/1134394143.db2.gz NLVGAQFYEGQMLO-GJZGRUSLSA-N 2 0 343.468 -0.579 20 0 EBADRP CCn1nncc1C[NH2+]CC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001368695687 1134396813 /nfs/dbraw/zinc/39/68/13/1134396813.db2.gz VREOCXDSLZFDDR-UHFFFAOYSA-N 2 0 338.456 -0.307 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)NCc1nc(C[NH2+]C[C@H](C)O)cc(=O)[nH]1 ZINC001368699196 1134398619 /nfs/dbraw/zinc/39/86/19/1134398619.db2.gz NCMPFDALXSMLLG-NSHDSACASA-N 2 0 325.413 -0.391 20 0 EBADRP C[C@H](O)C[N@H+](CCO)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001368738784 1134414772 /nfs/dbraw/zinc/41/47/72/1134414772.db2.gz VSEDJMBREAMLKV-GJZGRUSLSA-N 2 0 325.453 -0.252 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001368751500 1134417780 /nfs/dbraw/zinc/41/77/80/1134417780.db2.gz BCGGQUGNLCFDFY-CHWSQXEVSA-N 2 0 341.456 -0.118 20 0 EBADRP C[NH+]1CCC(OCC(=O)NC2(CO)CC[NH+](CCO)CC2)CC1 ZINC001368773211 1134434253 /nfs/dbraw/zinc/43/42/53/1134434253.db2.gz SYAPLBIKVXFNKM-UHFFFAOYSA-N 2 0 329.441 -0.967 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001368820616 1134454992 /nfs/dbraw/zinc/45/49/92/1134454992.db2.gz AFNCZXJSDDPTSH-UHFFFAOYSA-N 2 0 337.424 -0.978 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CC1CC(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001368825796 1134457542 /nfs/dbraw/zinc/45/75/42/1134457542.db2.gz PVHUOKJMDBIXTI-UHFFFAOYSA-N 2 0 339.440 -0.458 20 0 EBADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]CCN(C)S(C)(=O)=O ZINC001368909583 1134481943 /nfs/dbraw/zinc/48/19/43/1134481943.db2.gz VZSWCBZJGZWBJL-QWHCGFSZSA-N 2 0 346.497 -0.544 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001368913346 1134483523 /nfs/dbraw/zinc/48/35/23/1134483523.db2.gz IENHRMUHJNEWLX-GFCCVEGCSA-N 2 0 341.456 -0.390 20 0 EBADRP CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+][C@@H](C)C(=O)NC(N)=O)[NH+](C)C ZINC001368919746 1134484700 /nfs/dbraw/zinc/48/47/00/1134484700.db2.gz RSVCWNRDLACWHH-RYUDHWBXSA-N 2 0 343.472 -0.016 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CC(C)(C)C[NH2+][C@H](C)C(N)=O ZINC001368922932 1134485431 /nfs/dbraw/zinc/48/54/31/1134485431.db2.gz AVQGHSBRASTTOW-ZIAGYGMSSA-N 2 0 342.484 -0.097 20 0 EBADRP COC[C@H](O)C[NH+]1CC([C@@H](C)NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001369092984 1134560748 /nfs/dbraw/zinc/56/07/48/1134560748.db2.gz BHVHATNXJUWYQO-UKRRQHHQSA-N 2 0 343.468 -0.459 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001369184086 1134609278 /nfs/dbraw/zinc/60/92/78/1134609278.db2.gz CDZWHAIDHCALJF-JOCQHMNTSA-N 2 0 341.456 -0.343 20 0 EBADRP O=C(C[NH2+]C[C@H]1C[C@H](NC(=O)Cn2ccnc2)C1)Nc1cnccn1 ZINC001369184541 1134609340 /nfs/dbraw/zinc/60/93/40/1134609340.db2.gz DMMAHEVODAEDTN-JOCQHMNTSA-N 2 0 343.391 -0.204 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001369272073 1134636895 /nfs/dbraw/zinc/63/68/95/1134636895.db2.gz WTDRWFDRHUBBJH-AVGNSLFASA-N 2 0 341.456 -0.391 20 0 EBADRP C[N@H+](CC(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCCC1)C1CCC1 ZINC001369326161 1134667611 /nfs/dbraw/zinc/66/76/11/1134667611.db2.gz SYUMJRLYBIBDIJ-CYBMUJFWSA-N 2 0 326.441 -0.840 20 0 EBADRP CCN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001369353109 1134703467 /nfs/dbraw/zinc/70/34/67/1134703467.db2.gz ZYTGJDHICSQMMO-CYBMUJFWSA-N 2 0 347.419 -0.199 20 0 EBADRP C[C@@H](CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CCS(C)(=O)=O ZINC001369353304 1134703642 /nfs/dbraw/zinc/70/36/42/1134703642.db2.gz DCIMIEIRSYLNIB-KBPBESRZSA-N 2 0 349.497 -0.564 20 0 EBADRP CN1CCC[C@H]([NH2+][C@H](CO)CNC(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001369354516 1134705250 /nfs/dbraw/zinc/70/52/50/1134705250.db2.gz OLHUJOJJXHTPAI-KBPBESRZSA-N 2 0 340.468 -0.452 20 0 EBADRP C[NH+](C)Cc1ccc(C(=O)NC[C@@H](CO)[NH2+][C@@H]2CCNC2=O)cc1 ZINC001369367277 1134722232 /nfs/dbraw/zinc/72/22/32/1134722232.db2.gz XZYKRXHACJNMMP-LSDHHAIUSA-N 2 0 334.420 -0.683 20 0 EBADRP O=C(CC[NH+]1CCCCC1)NC[C@@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001369373312 1134729339 /nfs/dbraw/zinc/72/93/39/1134729339.db2.gz KJULLWCOTBDLEM-KBPBESRZSA-N 2 0 326.441 -0.792 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001369375932 1134732976 /nfs/dbraw/zinc/73/29/76/1134732976.db2.gz RGGXXPPDXQWKQW-KGLIPLIRSA-N 2 0 328.457 -0.690 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC001369376508 1134734826 /nfs/dbraw/zinc/73/48/26/1134734826.db2.gz RVLVCXXRPPGYAL-ZIAGYGMSSA-N 2 0 342.484 -0.207 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)[C@@H]1C ZINC001369391364 1134752615 /nfs/dbraw/zinc/75/26/15/1134752615.db2.gz MUVZDELNJSRYNR-NWDGAFQWSA-N 2 0 327.429 -0.637 20 0 EBADRP C[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001369397783 1134757606 /nfs/dbraw/zinc/75/76/06/1134757606.db2.gz HMOQEDPETYUYLK-STQMWFEESA-N 2 0 339.440 -0.508 20 0 EBADRP C[C@@H]([NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C)C(=O)NC(N)=O ZINC001369443749 1134783219 /nfs/dbraw/zinc/78/32/19/1134783219.db2.gz RGJJMPDVALRQJP-NEPJUHHUSA-N 2 0 341.456 -0.262 20 0 EBADRP CN(C[C@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001369468746 1134817956 /nfs/dbraw/zinc/81/79/56/1134817956.db2.gz FUTDGVYFEIXITE-KGLIPLIRSA-N 2 0 340.468 -0.500 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001369472754 1134828559 /nfs/dbraw/zinc/82/85/59/1134828559.db2.gz LDGJKHHMOLPKJH-OLZOCXBDSA-N 2 0 326.441 -0.842 20 0 EBADRP Cc1nn(C)cc1C[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001369482281 1134849648 /nfs/dbraw/zinc/84/96/48/1134849648.db2.gz SHKFOILSINZLFR-HOCLYGCPSA-N 2 0 337.468 -0.021 20 0 EBADRP CC[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N1CCCCC1)[NH+](C)C ZINC001369489561 1134862885 /nfs/dbraw/zinc/86/28/85/1134862885.db2.gz XOXSQFZDDQIIPW-LSDHHAIUSA-N 2 0 342.484 -0.252 20 0 EBADRP CN(C[C@H](O)C[N@H+](C)[C@@H]1CCCNC1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001369504623 1134892281 /nfs/dbraw/zinc/89/22/81/1134892281.db2.gz GULGASRKQXVFEJ-ZIAGYGMSSA-N 2 0 340.468 -0.500 20 0 EBADRP CN(C[C@H](O)C[N@H+](C)[C@H]1CCN(C)C1=O)C(=O)CCC[NH+](C)C ZINC001369513965 1134908601 /nfs/dbraw/zinc/90/86/01/1134908601.db2.gz WATZJJYDQKOOAZ-KGLIPLIRSA-N 2 0 328.457 -0.690 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H](C)C1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001369564733 1134942058 /nfs/dbraw/zinc/94/20/58/1134942058.db2.gz NSEQRNKNRHTCGY-GFCCVEGCSA-N 2 0 341.456 -0.260 20 0 EBADRP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001369565543 1134942287 /nfs/dbraw/zinc/94/22/87/1134942287.db2.gz GGYQXJYLPLLZDG-YPMHNXCESA-N 2 0 339.440 -0.508 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)N1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001369844728 1135043630 /nfs/dbraw/zinc/04/36/30/1135043630.db2.gz QVTQQGQFSIAKOO-NWDGAFQWSA-N 2 0 327.429 -0.508 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2(CCO)CN(C(=O)CCc3c[nH]cn3)C2)C1 ZINC001369988846 1135141544 /nfs/dbraw/zinc/14/15/44/1135141544.db2.gz LYRCFBIKWGORQX-CYBMUJFWSA-N 2 0 349.435 -0.626 20 0 EBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001370275378 1135279550 /nfs/dbraw/zinc/27/95/50/1135279550.db2.gz CBCCYTFLLZELIJ-OCCSQVGLSA-N 2 0 326.441 -0.815 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001370459601 1135359758 /nfs/dbraw/zinc/35/97/58/1135359758.db2.gz QSYMVYWTOCSUFC-ZDEQEGDKSA-N 2 0 339.440 -0.321 20 0 EBADRP Cc1c(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC(N)=O)C2)ccc2c[nH+]cn21 ZINC001370491258 1135373695 /nfs/dbraw/zinc/37/36/95/1135373695.db2.gz QQVRWEHMYFYWHN-XYPYZODXSA-N 2 0 344.375 -0.312 20 0 EBADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C1)C(N)=O ZINC001370542647 1135401408 /nfs/dbraw/zinc/40/14/08/1135401408.db2.gz OKPAEIQFKOPGHW-OBJOEFQTSA-N 2 0 326.441 -0.402 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)CCC[NH+]3CCCC3)C2)nc1=O ZINC001370565690 1135411885 /nfs/dbraw/zinc/41/18/85/1135411885.db2.gz PTAQBMARBSEOOK-JOCQHMNTSA-N 2 0 336.440 -0.279 20 0 EBADRP COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001370564902 1135412032 /nfs/dbraw/zinc/41/20/32/1135412032.db2.gz XDWQJSDCSSJVMA-ZQDZILKHSA-N 2 0 329.441 -0.801 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1)C(=O)NC(N)=O ZINC001370639164 1135442054 /nfs/dbraw/zinc/44/20/54/1135442054.db2.gz QHJNLIAVGSZYNB-RVMXOQNASA-N 2 0 339.440 -0.319 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1)C(=O)NC(N)=O ZINC001370639168 1135442204 /nfs/dbraw/zinc/44/22/04/1135442204.db2.gz QHJNLIAVGSZYNB-WUHRBBMRSA-N 2 0 339.440 -0.319 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)CC1 ZINC001370668178 1135471892 /nfs/dbraw/zinc/47/18/92/1135471892.db2.gz TVMIVHJFCCYKEQ-OKILXGFUSA-N 2 0 338.452 -0.576 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCc3cccnc3)C2)C1 ZINC001370718618 1135542000 /nfs/dbraw/zinc/54/20/00/1135542000.db2.gz VSQQOEVBUUWNKU-HRCADAONSA-N 2 0 345.447 -0.114 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001370720970 1135544871 /nfs/dbraw/zinc/54/48/71/1135544871.db2.gz ZOEZRGFGRNELCS-CABCVRRESA-N 2 0 340.468 -0.738 20 0 EBADRP CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)C1CC[NH+](C)CC1)[NH+](C)C ZINC001370727311 1135555216 /nfs/dbraw/zinc/55/52/16/1135555216.db2.gz SAFTUUSTFYTDAA-KGLIPLIRSA-N 2 0 328.457 -0.738 20 0 EBADRP C[N@H+](CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCCC[NH+]1C)C1CCC1 ZINC001370749980 1135590042 /nfs/dbraw/zinc/59/00/42/1135590042.db2.gz WFSKJXHCUUDKPA-ZFWWWQNUSA-N 2 0 340.468 -0.452 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001370811869 1135653196 /nfs/dbraw/zinc/65/31/96/1135653196.db2.gz YZIVYZJMZXHBHH-NEPJUHHUSA-N 2 0 325.413 -0.896 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001370838669 1135666917 /nfs/dbraw/zinc/66/69/17/1135666917.db2.gz SVAYYEYEFYCHAN-STQMWFEESA-N 2 0 341.456 -0.390 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)C[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001371016240 1135779223 /nfs/dbraw/zinc/77/92/23/1135779223.db2.gz MGBZZOLUDTVYGQ-OAHLLOKOSA-N 2 0 342.484 -0.395 20 0 EBADRP CN(C[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1)C(=O)CC[NH+](C)C ZINC001371059735 1135829528 /nfs/dbraw/zinc/82/95/28/1135829528.db2.gz OKPYEDKSVCVFIJ-OAHLLOKOSA-N 2 0 342.484 -0.442 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CCN(C)S(C)(=O)=O)CC[N@@H+]1C ZINC001371184799 1135858865 /nfs/dbraw/zinc/85/88/65/1135858865.db2.gz HUVNTVMPSCOQLQ-HZSPNIEDSA-N 2 0 348.513 -0.298 20 0 EBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)N1CCOC[C@H]1C1CC1 ZINC001371345069 1135893498 /nfs/dbraw/zinc/89/34/98/1135893498.db2.gz HMHRVKCSZMKKDK-ZFWWWQNUSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)[NH2+]CC(=O)N(C)C1CC1 ZINC001371470907 1135929035 /nfs/dbraw/zinc/92/90/35/1135929035.db2.gz RQIAKMLKDFFFEP-ZIAGYGMSSA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001371526827 1135951553 /nfs/dbraw/zinc/95/15/53/1135951553.db2.gz FAAJLGIZWZVEIF-KBPBESRZSA-N 2 0 346.497 -0.590 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001371615368 1135985516 /nfs/dbraw/zinc/98/55/16/1135985516.db2.gz LCHCXAIJDSZONH-CYBMUJFWSA-N 2 0 336.440 -0.758 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001371763614 1136015796 /nfs/dbraw/zinc/01/57/96/1136015796.db2.gz CHBVNJIXFDUTLW-STQMWFEESA-N 2 0 341.456 -0.199 20 0 EBADRP CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+](C)C ZINC001371826270 1136028078 /nfs/dbraw/zinc/02/80/78/1136028078.db2.gz KSUYCTUJEGQGBC-DGCLKSJQSA-N 2 0 326.445 -0.321 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C[C@H]1O ZINC001371845488 1136034552 /nfs/dbraw/zinc/03/45/52/1136034552.db2.gz KMFRNAORXRXCPF-LSDHHAIUSA-N 2 0 342.484 -0.254 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C[C@H]1O ZINC001371845480 1136034819 /nfs/dbraw/zinc/03/48/19/1136034819.db2.gz KMFRNAORXRXCPF-HUUCEWRRSA-N 2 0 342.484 -0.254 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001372674118 1136266019 /nfs/dbraw/zinc/26/60/19/1136266019.db2.gz YQXOMBIPNZOKSX-NEPJUHHUSA-N 2 0 327.429 -0.650 20 0 EBADRP C[NH+](C)CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001372700659 1136271390 /nfs/dbraw/zinc/27/13/90/1136271390.db2.gz GVPHNDVDNGMTOY-BARDWOONSA-N 2 0 334.464 -0.005 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH+](C[C@@H](O)Cn2cccn2)C2CC2)C1 ZINC001372897265 1136318201 /nfs/dbraw/zinc/31/82/01/1136318201.db2.gz PVUCPPHPRMYIQL-GOEBONIOSA-N 2 0 335.452 -0.224 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+](C[C@@H](O)Cn2cccn2)C2CC2)C1 ZINC001372897261 1136318283 /nfs/dbraw/zinc/31/82/83/1136318283.db2.gz PVUCPPHPRMYIQL-GDBMZVCRSA-N 2 0 335.452 -0.224 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001372940999 1136332586 /nfs/dbraw/zinc/33/25/86/1136332586.db2.gz MWGDAHNGUQIVKU-AAEUAGOBSA-N 2 0 339.440 -0.780 20 0 EBADRP CN(CC[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001372987573 1136347201 /nfs/dbraw/zinc/34/72/01/1136347201.db2.gz FJBWCXWILWBTTD-KBPBESRZSA-N 2 0 348.451 -0.475 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC([C@@H](C)[NH2+]CC(=O)NC(N)=O)CC1 ZINC001373033981 1136357969 /nfs/dbraw/zinc/35/79/69/1136357969.db2.gz OYVCXXUBERJIIG-GFCCVEGCSA-N 2 0 341.456 -0.262 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001373295127 1136421753 /nfs/dbraw/zinc/42/17/53/1136421753.db2.gz VZYOHQREVSRVGF-KGLIPLIRSA-N 2 0 348.513 -0.344 20 0 EBADRP C[N@H+](CCN1CCNC1=O)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001373312035 1136425771 /nfs/dbraw/zinc/42/57/71/1136425771.db2.gz KOEFHAIKYPODQR-LSDHHAIUSA-N 2 0 337.468 -0.256 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001373459276 1136463295 /nfs/dbraw/zinc/46/32/95/1136463295.db2.gz MWHQGGRZGCQQEG-CABCVRRESA-N 2 0 340.468 -0.519 20 0 EBADRP CN(C(=O)C1(C[NH+](C)C)CC1)[C@@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001373680944 1136535742 /nfs/dbraw/zinc/53/57/42/1136535742.db2.gz QAAYXUKWYWIOEO-CQSZACIVSA-N 2 0 337.468 -0.114 20 0 EBADRP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001373757596 1136553787 /nfs/dbraw/zinc/55/37/87/1136553787.db2.gz HGAGGGALWXEXFO-RYUDHWBXSA-N 2 0 341.456 -0.201 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](CC)[NH2+]CC(=O)NC(N)=O)C1 ZINC001373787877 1136560753 /nfs/dbraw/zinc/56/07/53/1136560753.db2.gz GOKDTWUNKPWISY-CHWSQXEVSA-N 2 0 341.456 -0.212 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001373922114 1136586907 /nfs/dbraw/zinc/58/69/07/1136586907.db2.gz DQOJJZUPWNUJAP-MGPQQGTHSA-N 2 0 326.441 -0.543 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001373970179 1136596024 /nfs/dbraw/zinc/59/60/24/1136596024.db2.gz HOYJSVZLPHZIQS-CHWSQXEVSA-N 2 0 341.456 -0.118 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)C[NH2+]Cc1cnon1 ZINC001374109959 1136624006 /nfs/dbraw/zinc/62/40/06/1136624006.db2.gz QUHYCKAVOWDONT-CHWSQXEVSA-N 2 0 325.413 -0.120 20 0 EBADRP C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C[NH2+]CC(=O)NC(N)=O ZINC001374112316 1136624625 /nfs/dbraw/zinc/62/46/25/1136624625.db2.gz NDTCSCHDNYDWTF-LBPRGKRZSA-N 2 0 349.435 -0.101 20 0 EBADRP C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001374227103 1136652972 /nfs/dbraw/zinc/65/29/72/1136652972.db2.gz UZPGOGGZNGLHAZ-WCQYABFASA-N 2 0 336.440 -0.613 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001374237009 1136655298 /nfs/dbraw/zinc/65/52/98/1136655298.db2.gz YECSFNJBCSNDRC-NWDGAFQWSA-N 2 0 327.429 -0.508 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(N)=O)C1 ZINC001374277721 1136664349 /nfs/dbraw/zinc/66/43/49/1136664349.db2.gz PZDPSHKBFWNAJC-STQMWFEESA-N 2 0 341.456 -0.260 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001374445343 1136689478 /nfs/dbraw/zinc/68/94/78/1136689478.db2.gz FKOXEAYMYFNYKX-ZDUSSCGKSA-N 2 0 341.456 -0.342 20 0 EBADRP CNC(=O)c1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001374589905 1136732112 /nfs/dbraw/zinc/73/21/12/1136732112.db2.gz JJHGXTDCKCECJV-JKSUJKDBSA-N 2 0 348.447 -0.293 20 0 EBADRP COc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)sn1 ZINC001374589594 1136732319 /nfs/dbraw/zinc/73/23/19/1136732319.db2.gz INJNXPADKBZCHX-ZYHUDNBSSA-N 2 0 328.438 -0.187 20 0 EBADRP COc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001374607351 1136742659 /nfs/dbraw/zinc/74/26/59/1136742659.db2.gz VSKJSDGCBFLFHX-NVXWUHKLSA-N 2 0 348.447 -0.001 20 0 EBADRP COc1ccnc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001374607348 1136742679 /nfs/dbraw/zinc/74/26/79/1136742679.db2.gz VSKJSDGCBFLFHX-DOTOQJQBSA-N 2 0 348.447 -0.001 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(C(N)=O)cc2)CCC1 ZINC001374613876 1136746726 /nfs/dbraw/zinc/74/67/26/1136746726.db2.gz FOEFUZBTPMIVDM-OAHLLOKOSA-N 2 0 348.447 -0.164 20 0 EBADRP CC(C)CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001374616335 1136749643 /nfs/dbraw/zinc/74/96/43/1136749643.db2.gz GFIRIVRKDCSXRZ-KBPBESRZSA-N 2 0 328.457 -0.690 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001374619112 1136753476 /nfs/dbraw/zinc/75/34/76/1136753476.db2.gz ZTAVQVHGYUSMLH-CQSZACIVSA-N 2 0 340.468 -0.546 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001374619111 1136753679 /nfs/dbraw/zinc/75/36/79/1136753679.db2.gz ZTAVQVHGYUSMLH-AWEZNQCLSA-N 2 0 340.468 -0.546 20 0 EBADRP COC[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001374624249 1136756381 /nfs/dbraw/zinc/75/63/81/1136756381.db2.gz IBNKPONKZWFNRM-JSGCOSHPSA-N 2 0 333.392 -0.018 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCCC2)C1 ZINC001374649950 1136774970 /nfs/dbraw/zinc/77/49/70/1136774970.db2.gz FABNXDNPYJVYRG-KBPBESRZSA-N 2 0 326.441 -0.983 20 0 EBADRP COc1nccc(C[NH2+]C[C@H](O)CNC(=O)C[N@@H+]2CC[C@H](C)C2)n1 ZINC001374652025 1136775766 /nfs/dbraw/zinc/77/57/66/1136775766.db2.gz HSGWKLPQPOAHGU-JSGCOSHPSA-N 2 0 337.424 -0.606 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CCCC2)C1 ZINC001374672173 1136790870 /nfs/dbraw/zinc/79/08/70/1136790870.db2.gz DWRNFPZAJCGUFB-TZMCWYRMSA-N 2 0 326.441 -0.936 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCCCC2)C1 ZINC001374674715 1136793128 /nfs/dbraw/zinc/79/31/28/1136793128.db2.gz JUIKTPGKOYJMBL-UONOGXRCSA-N 2 0 326.441 -0.983 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H](O)C[NH2+]Cc1ccns1 ZINC001374681796 1136798169 /nfs/dbraw/zinc/79/81/69/1136798169.db2.gz GBLCWEDIWVTVDI-QWHCGFSZSA-N 2 0 342.465 -0.322 20 0 EBADRP O=C(CC[NH+]1CCCCC1)NC[C@@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001374685206 1136800759 /nfs/dbraw/zinc/80/07/59/1136800759.db2.gz NVYHKQJSBZVYGP-HNNXBMFYSA-N 2 0 340.468 -0.449 20 0 EBADRP CCN(CC[NH2+][C@@H](C)C(=O)NC(N)=O)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001374706458 1136808821 /nfs/dbraw/zinc/80/88/21/1136808821.db2.gz WLSSGUGLPCNZRM-STQMWFEESA-N 2 0 341.456 -0.118 20 0 EBADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)[NH+](C)C ZINC001374905965 1136870004 /nfs/dbraw/zinc/87/00/04/1136870004.db2.gz NNELIFBOKXPZEK-BFHYXJOUSA-N 2 0 348.513 -0.298 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000360278975 282106780 /nfs/dbraw/zinc/10/67/80/282106780.db2.gz LVGZNFPARVLVIU-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[C@H](CCNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)[NH+]1CCCCC1 ZINC000642798402 376206824 /nfs/dbraw/zinc/20/68/24/376206824.db2.gz RCZIHGJEXVHWTP-QLFBSQMISA-N 2 0 340.468 -0.058 20 0 EBADRP CN1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)[C@@H](C[NH3+])C1 ZINC000643577707 375909929 /nfs/dbraw/zinc/90/99/29/375909929.db2.gz RBGBDGALFWQFDN-CABCVRRESA-N 2 0 337.468 -0.826 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CCSC1 ZINC000642768972 376087718 /nfs/dbraw/zinc/08/77/18/376087718.db2.gz XUMPNJGJADKEAN-WFASDCNBSA-N 2 0 328.482 -0.202 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCSC1 ZINC000642768929 376088245 /nfs/dbraw/zinc/08/82/45/376088245.db2.gz SGWQYCBIJYTDTK-TYNCELHUSA-N 2 0 326.466 -0.782 20 0 EBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000642735283 376058271 /nfs/dbraw/zinc/05/82/71/376058271.db2.gz XEYQVNPARATNKD-OAHLLOKOSA-N 2 0 347.463 -0.222 20 0 EBADRP C[C@@H](CCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[NH+]1CCCCC1 ZINC000584043644 376061879 /nfs/dbraw/zinc/06/18/79/376061879.db2.gz ZQZKIFAFIUYFGU-LSDHHAIUSA-N 2 0 339.484 -0.532 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642758190 376081902 /nfs/dbraw/zinc/08/19/02/376081902.db2.gz XLDXKNIGSGPDLY-ZIAGYGMSSA-N 2 0 326.441 -0.528 20 0 EBADRP COC[C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000556795364 376142022 /nfs/dbraw/zinc/14/20/22/376142022.db2.gz IKJVVZRJCALCHM-OAHLLOKOSA-N 2 0 342.484 -0.177 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@]1(C)CCOC1 ZINC000558209869 376228946 /nfs/dbraw/zinc/22/89/46/376228946.db2.gz LPQALUDDWYHBEN-INIZCTEOSA-N 2 0 328.457 -0.519 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NS(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000632254998 376390846 /nfs/dbraw/zinc/39/08/46/376390846.db2.gz GSMSDARYMDQTBT-OAHLLOKOSA-N 2 0 348.513 -0.736 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000333755346 284572192 /nfs/dbraw/zinc/57/21/92/284572192.db2.gz ZQFULMNKFXZORS-AWEZNQCLSA-N 2 0 325.457 -0.066 20 0 EBADRP O=C(C[C@]1(C(=O)NC[C@H]2CCC[NH2+]2)CC[NH2+]C1)NC[C@@H]1CCC[NH2+]1 ZINC000370925586 376630371 /nfs/dbraw/zinc/63/03/71/376630371.db2.gz WNEDJVYYUBVZMP-JJRVBVJISA-N 3 0 337.468 -0.907 20 0 EBADRP O=C(C[C@]1(C(=O)NC[C@@H]2CCC[NH2+]2)CC[NH2+]C1)NC[C@H]1CCC[NH2+]1 ZINC000370925587 376630747 /nfs/dbraw/zinc/63/07/47/376630747.db2.gz WNEDJVYYUBVZMP-JKIFEVAISA-N 3 0 337.468 -0.907 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000583386286 376761789 /nfs/dbraw/zinc/76/17/89/376761789.db2.gz OUPLIDPAYHCILQ-UHFFFAOYSA-N 2 0 327.473 -0.308 20 0 EBADRP O=C(CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)N1CC[NH2+]CC1 ZINC000561203827 376815326 /nfs/dbraw/zinc/81/53/26/376815326.db2.gz RICIMWHJEFOTSO-UHFFFAOYSA-N 2 0 337.468 -0.064 20 0 EBADRP CS(=O)(=O)N[C@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000635002556 376862677 /nfs/dbraw/zinc/86/26/77/376862677.db2.gz UKQNHBFWYGVDFS-STQMWFEESA-N 2 0 332.470 -0.803 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000564716584 376863767 /nfs/dbraw/zinc/86/37/67/376863767.db2.gz GZXFZCGWZSXRQG-KFWWJZLASA-N 2 0 337.468 -0.162 20 0 EBADRP COCC[N@@H+]1CCCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000564722244 376878368 /nfs/dbraw/zinc/87/83/68/376878368.db2.gz PTKBPQWLQALNBF-CQSZACIVSA-N 2 0 336.440 -0.003 20 0 EBADRP Cn1ccc(CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000561843764 376883931 /nfs/dbraw/zinc/88/39/31/376883931.db2.gz BTVAYGCLLXRAPG-UHFFFAOYSA-N 2 0 338.456 -0.969 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000562871430 377012895 /nfs/dbraw/zinc/01/28/95/377012895.db2.gz MREJWDQBIVBARM-HUUCEWRRSA-N 2 0 338.452 -0.480 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000569677944 377087358 /nfs/dbraw/zinc/08/73/58/377087358.db2.gz KWPMOJDDCWEQSC-GJZGRUSLSA-N 3 0 341.500 -0.428 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000572602254 377090477 /nfs/dbraw/zinc/09/04/77/377090477.db2.gz LZQWIQSBSGOAOW-CHWSQXEVSA-N 2 0 328.457 -0.155 20 0 EBADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1=O ZINC000635934889 377140276 /nfs/dbraw/zinc/14/02/76/377140276.db2.gz WABPZHSZJKPTGP-CQSZACIVSA-N 2 0 340.468 -0.377 20 0 EBADRP COCC1(CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC[NH2+]CC1 ZINC000569720414 377156768 /nfs/dbraw/zinc/15/67/68/377156768.db2.gz CTXGRHXOGXTPND-CYBMUJFWSA-N 2 0 336.440 -0.224 20 0 EBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000636079734 377225208 /nfs/dbraw/zinc/22/52/08/377225208.db2.gz RSPFQSHNJYHVOI-CQSZACIVSA-N 2 0 340.468 -0.077 20 0 EBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000570827623 377286032 /nfs/dbraw/zinc/28/60/32/377286032.db2.gz TWHBJMLDEYUXKN-CABCVRRESA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000570827625 377287681 /nfs/dbraw/zinc/28/76/81/377287681.db2.gz TWHBJMLDEYUXKN-GJZGRUSLSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000570827627 377289865 /nfs/dbraw/zinc/28/98/65/377289865.db2.gz TWHBJMLDEYUXKN-HUUCEWRRSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000262743791 377394260 /nfs/dbraw/zinc/39/42/60/377394260.db2.gz FJFBGRSOFOZFNN-RRFJBIMHSA-N 2 0 338.452 -0.624 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000636662572 377810659 /nfs/dbraw/zinc/81/06/59/377810659.db2.gz KUFGHODVWKOTHJ-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)CCN2C1=O ZINC000595270605 377988047 /nfs/dbraw/zinc/98/80/47/377988047.db2.gz FPOCBJDKXGSUQF-KBXIAJHMSA-N 2 0 335.452 -0.043 20 0 EBADRP COC(=O)CCN1CC[C@H]([N@H+](C)CCCN2CC[NH+](C)CC2)C1=O ZINC000595401750 378002493 /nfs/dbraw/zinc/00/24/93/378002493.db2.gz PAQIHWGPMVPRSE-HNNXBMFYSA-N 2 0 340.468 -0.280 20 0 EBADRP COC(=O)CCN1CCC[C@H]([N@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000595887045 378031669 /nfs/dbraw/zinc/03/16/69/378031669.db2.gz BPAOGICRABNNPM-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP CCOC(=O)[C@H](N)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000595947449 378042522 /nfs/dbraw/zinc/04/25/22/378042522.db2.gz LUMSELFWCXJPMK-OAHLLOKOSA-N 2 0 349.435 -0.400 20 0 EBADRP COCC[N@@H+]1CCCN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000563081529 378066676 /nfs/dbraw/zinc/06/66/76/378066676.db2.gz HCFUWKQKVGSIMA-CQSZACIVSA-N 2 0 336.440 -0.176 20 0 EBADRP CN(CCC[NH+](C)C)CCNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602531239 378361307 /nfs/dbraw/zinc/36/13/07/378361307.db2.gz UNQIJFHTFSSJMG-QFIPXVFZSA-N 2 0 332.514 -0.513 20 0 EBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NCC[NH+]3CC[C@@H](O)C3)C2)CC1 ZINC000636791995 378397187 /nfs/dbraw/zinc/39/71/87/378397187.db2.gz NSPOZJAOHVASPV-GOEBONIOSA-N 2 0 339.484 -0.479 20 0 EBADRP C[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000604643471 378467667 /nfs/dbraw/zinc/46/76/67/378467667.db2.gz MMBPYIVSEZSDQW-HOTGVXAUSA-N 2 0 339.484 -0.214 20 0 EBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000563109472 378431357 /nfs/dbraw/zinc/43/13/57/378431357.db2.gz DAROOZKEGJPGCT-ZJUUUORDSA-N 2 0 340.346 -0.781 20 0 EBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000636945359 378436270 /nfs/dbraw/zinc/43/62/70/378436270.db2.gz WTQDGVOEJAULID-OWCLPIDISA-N 2 0 340.468 -0.270 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C[C@]1(C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC[NH2+]C1 ZINC000563169172 378570913 /nfs/dbraw/zinc/57/09/13/378570913.db2.gz GPBLACVVRLDDEQ-GGOFEBJYSA-N 3 0 341.500 -0.160 20 0 EBADRP C[NH+]1CCC(NC(=O)C(=O)NCCN2CCOC(C)(C)C2)CC1 ZINC000339633900 378962411 /nfs/dbraw/zinc/96/24/11/378962411.db2.gz GWDQDWOJRMPYKG-UHFFFAOYSA-N 2 0 326.441 -0.576 20 0 EBADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627470760 379035868 /nfs/dbraw/zinc/03/58/68/379035868.db2.gz YXVZITGPAJQBMU-CYBMUJFWSA-N 2 0 326.441 -0.576 20 0 EBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCCc3cn4ccccc4n3)CCN2C1=O ZINC000563457533 379029217 /nfs/dbraw/zinc/02/92/17/379029217.db2.gz KWEGYDCVFQDOIX-ZIAGYGMSSA-N 2 0 342.403 -0.170 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627292702 379138091 /nfs/dbraw/zinc/13/80/91/379138091.db2.gz BJXMUELCMQZMJH-MRXNPFEDSA-N 2 0 348.447 -0.141 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000618307090 379138337 /nfs/dbraw/zinc/13/83/37/379138337.db2.gz WAHPZWSHJMZJBE-CYBMUJFWSA-N 2 0 330.498 -0.098 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000629793877 379138370 /nfs/dbraw/zinc/13/83/70/379138370.db2.gz MQTUMSVGNFPBGQ-AWEZNQCLSA-N 2 0 342.484 -0.131 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000629800717 379144741 /nfs/dbraw/zinc/14/47/41/379144741.db2.gz ZMYGLVUNUGLZTN-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C[NH2+]1 ZINC000627479223 379189770 /nfs/dbraw/zinc/18/97/70/379189770.db2.gz YHONKHHJOSZWIW-RBSFLKMASA-N 2 0 340.468 -0.188 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000627301158 379219803 /nfs/dbraw/zinc/21/98/03/379219803.db2.gz WNNOGNGXIVXIIK-RRFJBIMHSA-N 2 0 340.468 -0.284 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000627303237 379233722 /nfs/dbraw/zinc/23/37/22/379233722.db2.gz LNSXBHUDDKZZSB-OAHLLOKOSA-N 2 0 334.420 -0.661 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)C[C@@H](C(=O)OC)C2)C1 ZINC000413301437 379225839 /nfs/dbraw/zinc/22/58/39/379225839.db2.gz OMTUOBZNMZCGFB-ZIAGYGMSSA-N 2 0 342.440 -0.547 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000627301913 379228694 /nfs/dbraw/zinc/22/86/94/379228694.db2.gz SDHQDTBCAQBTHT-YOEHRIQHSA-N 2 0 342.484 -0.035 20 0 EBADRP c1ncn(CCN2CCN(c3cc(N4CCOCC4)ncn3)CC2)n1 ZINC000265678803 379258136 /nfs/dbraw/zinc/25/81/36/379258136.db2.gz ZIGTUAMYWCCKIN-UHFFFAOYSA-N 2 0 344.423 -0.273 20 0 EBADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)CC(C)C ZINC000627324702 379330249 /nfs/dbraw/zinc/33/02/49/379330249.db2.gz KFSLNJFADCNWDA-HUUCEWRRSA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627312309 379304643 /nfs/dbraw/zinc/30/46/43/379304643.db2.gz WFGDDBGBXAJJLY-UONOGXRCSA-N 2 0 328.457 -0.343 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621839676 379367351 /nfs/dbraw/zinc/36/73/51/379367351.db2.gz WWTNOWBOPCKWOP-DYVFJYSZSA-N 2 0 338.452 -0.447 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621845675 379369354 /nfs/dbraw/zinc/36/93/54/379369354.db2.gz NMYXWHXASVVQKQ-BBRMVZONSA-N 2 0 326.441 -0.589 20 0 EBADRP Cn1cnc2c1c(=O)n(CCC[NH2+][C@H]1C[C@H]([NH3+])C1(C)C)c(=O)n2C ZINC000641801191 379472186 /nfs/dbraw/zinc/47/21/86/379472186.db2.gz AYPLDQRYPBCKMS-QWRGUYRKSA-N 2 0 334.424 -0.461 20 0 EBADRP COC[C@@]1(CNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CCC[NH2+]1 ZINC000641826802 379474504 /nfs/dbraw/zinc/47/45/04/379474504.db2.gz BKBMQZKCROKYHE-INIZCTEOSA-N 2 0 328.457 -0.147 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000627390357 379578482 /nfs/dbraw/zinc/57/84/82/379578482.db2.gz KOQQESXQDHVPNK-UHFFFAOYSA-N 2 0 328.457 -0.236 20 0 EBADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627394550 379581392 /nfs/dbraw/zinc/58/13/92/379581392.db2.gz KCPCHTLEEPIOGP-CYBMUJFWSA-N 2 0 340.468 -0.153 20 0 EBADRP CC(C)([NH3+])CNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627413798 379586583 /nfs/dbraw/zinc/58/65/83/379586583.db2.gz XEBOKMVYHPHDLM-UHFFFAOYSA-N 2 0 326.441 -0.447 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000627425355 379592741 /nfs/dbraw/zinc/59/27/41/379592741.db2.gz NANVOIRDMYMLKI-KGLIPLIRSA-N 2 0 326.441 -0.399 20 0 EBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627357235 379562597 /nfs/dbraw/zinc/56/25/97/379562597.db2.gz AOBVCYHLNFVZRI-QLFBSQMISA-N 2 0 340.468 -0.425 20 0 EBADRP C[C@@H](NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[C@H]1CN(C)CCO1 ZINC000627355449 379562879 /nfs/dbraw/zinc/56/28/79/379562879.db2.gz HEXBMZFDSYBOJX-KFZJALRRSA-N 2 0 338.452 -0.720 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000627367035 379569501 /nfs/dbraw/zinc/56/95/01/379569501.db2.gz IPYQMGVCXJDPQY-LSDHHAIUSA-N 2 0 340.468 -0.140 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CCOCC[NH2+]C ZINC000627372289 379571959 /nfs/dbraw/zinc/57/19/59/379571959.db2.gz IPMLTIMYWWZHKM-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CCOCC[NH2+]C ZINC000627372290 379572671 /nfs/dbraw/zinc/57/26/71/379572671.db2.gz IPMLTIMYWWZHKM-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP C[C@@H](CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[NH+]1CCCCC1 ZINC000627387026 379575885 /nfs/dbraw/zinc/57/58/85/379575885.db2.gz CZGRLERNQURNTF-KBPBESRZSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C[NH2+]1 ZINC000627484089 379630927 /nfs/dbraw/zinc/63/09/27/379630927.db2.gz QPORUIGSIVRAJO-KGLIPLIRSA-N 2 0 340.468 -0.452 20 0 EBADRP C[C@H]1CC[C@H](NC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C[NH2+]1 ZINC000627483780 379631459 /nfs/dbraw/zinc/63/14/59/379631459.db2.gz LBCGHIRMEBZORP-GJZGRUSLSA-N 2 0 339.484 -0.661 20 0 EBADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NCCOCCC[NH3+])C2)CC1 ZINC000627485722 379634424 /nfs/dbraw/zinc/63/44/24/379634424.db2.gz IZUDEBOHZLARQE-HNNXBMFYSA-N 2 0 340.468 -0.342 20 0 EBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000627493597 379642180 /nfs/dbraw/zinc/64/21/80/379642180.db2.gz MHMLSTXVQUNWJW-DZGCQCFKSA-N 2 0 349.435 -0.796 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000627499718 379643853 /nfs/dbraw/zinc/64/38/53/379643853.db2.gz YDBZKQYWAAEVIW-SOUVJXGZSA-N 2 0 337.468 -0.909 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000627502177 379646259 /nfs/dbraw/zinc/64/62/59/379646259.db2.gz MYSHJGWUWJFZHZ-XDQVBPFNSA-N 2 0 326.441 -0.532 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000627502026 379646331 /nfs/dbraw/zinc/64/63/31/379646331.db2.gz HSYGLIZOBSKXDK-DZGCQCFKSA-N 2 0 340.468 -0.188 20 0 EBADRP [NH3+]C1(CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CCOCC1 ZINC000627453417 379605448 /nfs/dbraw/zinc/60/54/48/379605448.db2.gz MYPZPAHYZBZABT-CQSZACIVSA-N 2 0 338.452 -0.303 20 0 EBADRP C[NH+](C)CCC1CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627454255 379606154 /nfs/dbraw/zinc/60/61/54/379606154.db2.gz LCCDUUUNQBWCPC-UHFFFAOYSA-N 2 0 340.468 -0.199 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000627463403 379612403 /nfs/dbraw/zinc/61/24/03/379612403.db2.gz WKDOMXZYMMFCJJ-UHFFFAOYSA-N 2 0 340.468 -0.327 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000627465055 379613912 /nfs/dbraw/zinc/61/39/12/379613912.db2.gz WAJHCPXGRGBUKR-KBPBESRZSA-N 2 0 326.441 -0.719 20 0 EBADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000627470159 379617625 /nfs/dbraw/zinc/61/76/25/379617625.db2.gz MKVJRNWTGHXNEJ-LSDHHAIUSA-N 2 0 338.452 -0.432 20 0 EBADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627475585 379625658 /nfs/dbraw/zinc/62/56/58/379625658.db2.gz PQSMPMGLTLYMJL-MGPQQGTHSA-N 2 0 326.441 -0.530 20 0 EBADRP C[NH+](C)CC(=O)N1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000631758199 379754839 /nfs/dbraw/zinc/75/48/39/379754839.db2.gz UCOLOZAGGFCLDU-UHFFFAOYSA-N 2 0 346.497 -0.492 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000631953233 379791193 /nfs/dbraw/zinc/79/11/93/379791193.db2.gz GCVPFPUBJGPERY-HUUCEWRRSA-N 2 0 330.498 -0.233 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CCO1 ZINC000631953815 379791285 /nfs/dbraw/zinc/79/12/85/379791285.db2.gz SRHNINFXCJTNMI-KBPBESRZSA-N 2 0 335.470 -0.653 20 0 EBADRP CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632030793 379804491 /nfs/dbraw/zinc/80/44/91/379804491.db2.gz YLWMZVOUSDHLMI-OAHLLOKOSA-N 2 0 332.514 -0.020 20 0 EBADRP [NH3+]C[C@@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC[C@H]1C(F)(F)F ZINC000631954624 379764033 /nfs/dbraw/zinc/76/40/33/379764033.db2.gz SKQAIHNGCUCWES-OUAUKWLOSA-N 2 0 345.387 -0.236 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(S(=O)(=O)CCC[NH+](C)C)CC1 ZINC000631899376 379768984 /nfs/dbraw/zinc/76/89/84/379768984.db2.gz NBEYIHBYJHNFFV-UHFFFAOYSA-N 2 0 348.513 -0.246 20 0 EBADRP [NH3+]CCCOCCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000626979450 379769612 /nfs/dbraw/zinc/76/96/12/379769612.db2.gz BRGOGWQWSGFOKC-OAHLLOKOSA-N 2 0 343.472 -0.943 20 0 EBADRP C[NH+](C)CCCS(=O)(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000632363204 379854200 /nfs/dbraw/zinc/85/42/00/379854200.db2.gz GHCHXYBDLLEALK-UHFFFAOYSA-N 2 0 348.513 -0.150 20 0 EBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000276812393 379861990 /nfs/dbraw/zinc/86/19/90/379861990.db2.gz DTNQZSWTJGNNFK-DZGCQCFKSA-N 2 0 348.451 -0.123 20 0 EBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000637811556 379862535 /nfs/dbraw/zinc/86/25/35/379862535.db2.gz VYFVOGZRVQRCAG-UHFFFAOYSA-N 2 0 326.441 -0.765 20 0 EBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632500425 379870162 /nfs/dbraw/zinc/87/01/62/379870162.db2.gz WFGCZOPDTMYAEY-CQSZACIVSA-N 2 0 346.497 -0.146 20 0 EBADRP CN([C@@H]1C[NH+]2CCC1CC2)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632478214 379866485 /nfs/dbraw/zinc/86/64/85/379866485.db2.gz ZDGDQMATTXYXNW-MRXNPFEDSA-N 2 0 344.525 -0.020 20 0 EBADRP C[C@H]1CN(C(=O)NCC2([NH3+])CCOCC2)CC[N@@H+]1CC(C)(C)O ZINC000627150910 379815881 /nfs/dbraw/zinc/81/58/81/379815881.db2.gz WQVQJFWYIJNZQK-ZDUSSCGKSA-N 2 0 328.457 -0.019 20 0 EBADRP C[NH2+]CCOCCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000627177110 379822410 /nfs/dbraw/zinc/82/24/10/379822410.db2.gz DUCRECSAPLTXHU-UHFFFAOYSA-N 2 0 341.456 -0.828 20 0 EBADRP O=C(CNC(=O)NC[C@@H]1COCC[NH2+]1)NCC[NH+]1CCCCCC1 ZINC000627189612 379826997 /nfs/dbraw/zinc/82/69/97/379826997.db2.gz VFESTVOFTSNPTM-CQSZACIVSA-N 2 0 341.456 -0.734 20 0 EBADRP C[C@H](CNC(=O)C(=O)NCCOCCC[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000627485150 379904323 /nfs/dbraw/zinc/90/43/23/379904323.db2.gz SZVQBRCEDNPCAV-ZIAGYGMSSA-N 2 0 328.457 -0.295 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633087905 379932846 /nfs/dbraw/zinc/93/28/46/379932846.db2.gz BHQPFKXPEJWWMQ-XHSDSOJGSA-N 2 0 349.479 -0.812 20 0 EBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633108516 379942658 /nfs/dbraw/zinc/94/26/58/379942658.db2.gz GSEOLQIGLXDRAM-KBPBESRZSA-N 2 0 336.436 -0.728 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H]([NH3+])C[C@@H]3C)CC2)c1 ZINC000633115172 379944532 /nfs/dbraw/zinc/94/45/32/379944532.db2.gz GWPLCXURJYGDOB-STQMWFEESA-N 2 0 347.419 -0.313 20 0 EBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000633118148 379945733 /nfs/dbraw/zinc/94/57/33/379945733.db2.gz NMJCTJCSHRPEKL-CQSZACIVSA-N 2 0 340.468 -0.105 20 0 EBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000633139083 379947645 /nfs/dbraw/zinc/94/76/45/379947645.db2.gz GYPAVGRNOCNDMO-ZFWWWQNUSA-N 2 0 338.452 -0.495 20 0 EBADRP CNC(=O)NC(=O)C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC000279743739 379961091 /nfs/dbraw/zinc/96/10/91/379961091.db2.gz PHXFXRDYEZJLKG-RYUDHWBXSA-N 2 0 340.403 -0.280 20 0 EBADRP O=C(CNC(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CC[NH2+]CC1 ZINC000634240136 379990234 /nfs/dbraw/zinc/99/02/34/379990234.db2.gz ONNLVFCBXLIIJA-UHFFFAOYSA-N 2 0 332.408 -0.655 20 0 EBADRP CC1(C)CN(C(=O)NCCCN2CC[NH2+]CC2)CC[N@@H+]1CCO ZINC000634211551 379990792 /nfs/dbraw/zinc/99/07/92/379990792.db2.gz IZRGXHMCEMYAPI-UHFFFAOYSA-N 2 0 327.473 -0.620 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN(C)C(=O)COC ZINC000340133687 380060556 /nfs/dbraw/zinc/06/05/56/380060556.db2.gz FNSFZYMVTOSYBB-OAHLLOKOSA-N 2 0 342.484 -0.034 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CCSC1 ZINC000354684191 380081243 /nfs/dbraw/zinc/08/12/43/380081243.db2.gz XOILUWGLBJXKAE-WFASDCNBSA-N 2 0 328.482 -0.202 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+]C(C)(C)C(=O)N(C)C)C1 ZINC000074286262 380098532 /nfs/dbraw/zinc/09/85/32/380098532.db2.gz GUMVHBBTLLMPOL-CQSZACIVSA-N 2 0 342.484 -0.084 20 0 EBADRP C[N@@H+]1CC[C@](O)(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000545885352 380100428 /nfs/dbraw/zinc/10/04/28/380100428.db2.gz KSTOXIZMTLIOPA-KRWDZBQOSA-N 2 0 340.468 -0.003 20 0 EBADRP C[N@@H+]1CC[C@](O)(CNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000545879426 380100626 /nfs/dbraw/zinc/10/06/26/380100626.db2.gz ICCBZMHZBWMREV-ZWKOTPCHSA-N 2 0 333.432 -0.194 20 0 EBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000638117994 380167531 /nfs/dbraw/zinc/16/75/31/380167531.db2.gz QEPFTGDCXVEAME-YQQAZPJKSA-N 2 0 340.468 -0.724 20 0 EBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000638117986 380168462 /nfs/dbraw/zinc/16/84/62/380168462.db2.gz QEPFTGDCXVEAME-HLLBOEOZSA-N 2 0 340.468 -0.724 20 0 EBADRP COC1CC[NH+](C(C)(C)CNC(=O)[C@H](C)N2CCNCC2=O)CC1 ZINC000638109946 380154683 /nfs/dbraw/zinc/15/46/83/380154683.db2.gz XWOQYDYRNFUYSO-ZDUSSCGKSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000551170674 380263827 /nfs/dbraw/zinc/26/38/27/380263827.db2.gz VTYMVVSIEIBVGI-OAHLLOKOSA-N 2 0 341.500 -0.413 20 0 EBADRP CNC(=O)[C@@H]1CCC[NH+]1CCOCC[N@H+]1CCC[C@H]1C(=O)NC ZINC000247157096 380285480 /nfs/dbraw/zinc/28/54/80/380285480.db2.gz UPBBAACUDZPSCH-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000564792881 380381700 /nfs/dbraw/zinc/38/17/00/380381700.db2.gz DHBRGNLPRLWVGP-JKSUJKDBSA-N 2 0 334.468 -0.357 20 0 EBADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)C1(C)C ZINC000565538404 380423634 /nfs/dbraw/zinc/42/36/34/380423634.db2.gz SRWXIXVPIKXAKO-BMIGLBTASA-N 2 0 337.428 -0.315 20 0 EBADRP CC[C@@H](CO)[NH+]1CCN(CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000362384361 380397976 /nfs/dbraw/zinc/39/79/76/380397976.db2.gz YAHTXKPGOUKRHL-INIZCTEOSA-N 2 0 326.485 -0.025 20 0 EBADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638486372 380484884 /nfs/dbraw/zinc/48/48/84/380484884.db2.gz RMIPCTQWZLEHKD-CQSZACIVSA-N 2 0 325.457 -0.081 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCSC1 ZINC000340436582 380498799 /nfs/dbraw/zinc/49/87/99/380498799.db2.gz RWZAVVKGQQYRLJ-LRDDRELGSA-N 2 0 340.493 -0.107 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCOCC[NH2+]C)CC1=O ZINC000638578849 380520252 /nfs/dbraw/zinc/52/02/52/380520252.db2.gz SBTZGCZOQNWIDY-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+]1CCC(C[NH2+]C[C@@H](O)Cn2cccn2)(N2CCOCC2)CC1 ZINC000567104611 380501403 /nfs/dbraw/zinc/50/14/03/380501403.db2.gz WMRLGULQZBPVFA-MRXNPFEDSA-N 2 0 337.468 -0.370 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000154507603 380507943 /nfs/dbraw/zinc/50/79/43/380507943.db2.gz FVFGURMNWAIJCG-CYBMUJFWSA-N 2 0 336.440 -0.064 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000340479762 380512472 /nfs/dbraw/zinc/51/24/72/380512472.db2.gz NAHSZBXSEJEHBE-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000567385437 380515876 /nfs/dbraw/zinc/51/58/76/380515876.db2.gz COHDATOKPCZBJA-CHWSQXEVSA-N 2 0 328.457 -0.202 20 0 EBADRP C[C@H](CNC(=O)C(=O)NCCCC[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000340352349 380470688 /nfs/dbraw/zinc/47/06/88/380470688.db2.gz UMRUYEVZCKXYJK-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000340359865 380474454 /nfs/dbraw/zinc/47/44/54/380474454.db2.gz JETVFYJXQKAKIW-UHFFFAOYSA-N 2 0 340.468 -0.231 20 0 EBADRP Cn1nccc1N1CCC[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000566556981 380480007 /nfs/dbraw/zinc/48/00/07/380480007.db2.gz WEGMEJICLOUKBC-HZPDHXFCSA-N 2 0 336.484 -0.413 20 0 EBADRP O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638481356 380483000 /nfs/dbraw/zinc/48/30/00/380483000.db2.gz GYPWECSKRBPMHH-YOEHRIQHSA-N 2 0 335.452 -0.455 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CCOCC[NH3+])CC1=O ZINC000638675984 380569227 /nfs/dbraw/zinc/56/92/27/380569227.db2.gz MVZBTGXOBSTDJJ-GJZGRUSLSA-N 2 0 340.468 -0.247 20 0 EBADRP C[C@@H](Cn1ccnc1)NC(=O)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000340658783 380579703 /nfs/dbraw/zinc/57/97/03/380579703.db2.gz QBJSXNBTSAUWOZ-ZDUSSCGKSA-N 2 0 337.424 -0.697 20 0 EBADRP CCN1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000369926669 380579747 /nfs/dbraw/zinc/57/97/47/380579747.db2.gz KNPJRHZNRVKHGR-CVEARBPZSA-N 2 0 340.468 -0.770 20 0 EBADRP CN1CCN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)[C@@H](C[NH3+])C1 ZINC000569093266 380629900 /nfs/dbraw/zinc/62/99/00/380629900.db2.gz PSRWJQAXPIQGMH-GJZGRUSLSA-N 2 0 337.468 -0.968 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000340805280 380637650 /nfs/dbraw/zinc/63/76/50/380637650.db2.gz UTKABLYTPYDACL-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000572712887 380640530 /nfs/dbraw/zinc/64/05/30/380640530.db2.gz JHOGZRJVKYHXIT-GJZGRUSLSA-N 2 0 340.468 -0.247 20 0 EBADRP COC(=O)CNC(=O)CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371294741 380644396 /nfs/dbraw/zinc/64/43/96/380644396.db2.gz MUXQUGXCUYMCNP-MGPQQGTHSA-N 2 0 327.425 -0.151 20 0 EBADRP COC[C@@H]1CN(CCOCCN2CCO[C@H](COC)C2)CCO1 ZINC000370159058 380593756 /nfs/dbraw/zinc/59/37/56/380593756.db2.gz ASSSJKQIXLGVFY-HOTGVXAUSA-N 2 0 332.441 -0.303 20 0 EBADRP C[C@H](NS(C)(=O)=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000340725774 380612374 /nfs/dbraw/zinc/61/23/74/380612374.db2.gz KHSJADILFZUZIF-ZDUSSCGKSA-N 2 0 336.502 -0.344 20 0 EBADRP CCC[C@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[N@@H+]1CCOC ZINC000568751879 380615743 /nfs/dbraw/zinc/61/57/43/380615743.db2.gz LOGPEOFSOFVYHV-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H](C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)S(C)(=O)=O ZINC000568992204 380626110 /nfs/dbraw/zinc/62/61/10/380626110.db2.gz ZSKQDZDDZZKGFT-AWEZNQCLSA-N 2 0 333.498 -0.194 20 0 EBADRP CN1CCN(CC(=O)N2CCN(Cc3ccco3)CC2)[C@H](CO)C1 ZINC000639870382 380627640 /nfs/dbraw/zinc/62/76/40/380627640.db2.gz FWBDPKYMOAZJPW-HNNXBMFYSA-N 2 0 336.436 -0.468 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000341112955 380669603 /nfs/dbraw/zinc/66/96/03/380669603.db2.gz ANYJMVGHVAGOLD-HOTGVXAUSA-N 2 0 341.500 -0.016 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000574261673 380705993 /nfs/dbraw/zinc/70/59/93/380705993.db2.gz NBUJUJCOVMQTRT-LSDHHAIUSA-N 2 0 340.468 -0.343 20 0 EBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638784020 380756057 /nfs/dbraw/zinc/75/60/57/380756057.db2.gz QRBVTYVHMLHAHM-CABCVRRESA-N 2 0 338.452 -0.528 20 0 EBADRP COCC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000576242214 380763605 /nfs/dbraw/zinc/76/36/05/380763605.db2.gz RLXIFZPJTDVJDC-KGLIPLIRSA-N 2 0 339.440 -0.949 20 0 EBADRP COCC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000576242215 380763975 /nfs/dbraw/zinc/76/39/75/380763975.db2.gz RLXIFZPJTDVJDC-UONOGXRCSA-N 2 0 339.440 -0.949 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH+](C)[C@H]1C ZINC000341529264 380711770 /nfs/dbraw/zinc/71/17/70/380711770.db2.gz VTJRKZUKDRQYEM-RRFJBIMHSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000574813123 380724333 /nfs/dbraw/zinc/72/43/33/380724333.db2.gz QSPKGJZIHXFYAZ-KBPBESRZSA-N 2 0 340.468 -0.010 20 0 EBADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000575195939 380734326 /nfs/dbraw/zinc/73/43/26/380734326.db2.gz AIZFTDCGONDNEC-ILXRZTDVSA-N 2 0 338.452 -0.450 20 0 EBADRP [NH3+][C@@H]1C[C@H]2CN(c3cc(N4CCCC[C@H]4CO)ncn3)CCN2C1=O ZINC000582370885 380735342 /nfs/dbraw/zinc/73/53/42/380735342.db2.gz CBPFAANEGBMDLW-MELADBBJSA-N 2 0 346.435 -0.424 20 0 EBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000575847952 380746314 /nfs/dbraw/zinc/74/63/14/380746314.db2.gz CXXVXHYKCSUGJR-UHFFFAOYSA-N 3 0 341.500 -0.508 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000342009496 380750760 /nfs/dbraw/zinc/75/07/60/380750760.db2.gz BELJOLHCMJCCTF-GJZGRUSLSA-N 2 0 340.468 -0.500 20 0 EBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)C1=O ZINC000638855363 380773396 /nfs/dbraw/zinc/77/33/96/380773396.db2.gz BZPUGPNPIUHNAR-JDFRZJQESA-N 2 0 336.436 -0.966 20 0 EBADRP COc1ccc([C@@H](CO)C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000576637215 380778882 /nfs/dbraw/zinc/77/88/82/380778882.db2.gz SBEJWCNDYCYUHY-SJORKVTESA-N 2 0 337.464 -0.031 20 0 EBADRP C[C@@H]1C[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@@H](C)O1 ZINC000580639205 380805440 /nfs/dbraw/zinc/80/54/40/380805440.db2.gz BBTLTOSIKGLRPE-RBSFLKMASA-N 2 0 342.484 -0.132 20 0 EBADRP C[N@H+](CCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000577269354 380812924 /nfs/dbraw/zinc/81/29/24/380812924.db2.gz XYECDOIKQZNJOH-AWEZNQCLSA-N 2 0 337.468 -0.066 20 0 EBADRP C[N@H+](CCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000577269355 380813437 /nfs/dbraw/zinc/81/34/37/380813437.db2.gz XYECDOIKQZNJOH-CQSZACIVSA-N 2 0 337.468 -0.066 20 0 EBADRP CC[NH2+]CCCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000577593185 380831467 /nfs/dbraw/zinc/83/14/67/380831467.db2.gz AOSXIIIGXZPXLD-AWEZNQCLSA-N 2 0 325.457 -0.161 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417429818 380886952 /nfs/dbraw/zinc/88/69/52/380886952.db2.gz NWNYAHGVXACMGU-UONOGXRCSA-N 2 0 325.457 -0.034 20 0 EBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCCC[NH2+]Cc3cccnc3)CCN2C1=O ZINC000578339280 380923645 /nfs/dbraw/zinc/92/36/45/380923645.db2.gz BVNSIERJASNMSA-HUUCEWRRSA-N 2 0 346.435 -0.485 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCn2cc(Br)cn2)CC1 ZINC000578981960 380962768 /nfs/dbraw/zinc/96/27/68/380962768.db2.gz PWBWXBBVHQTNCJ-ZDUSSCGKSA-N 2 0 346.273 -0.157 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](CC(N)=O)C2)C1 ZINC000377526914 380978312 /nfs/dbraw/zinc/97/83/12/380978312.db2.gz VNXTXBJKJCINKJ-CABCVRRESA-N 2 0 340.468 -0.343 20 0 EBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)c3ccc4c(c3)CC[NH2+]CC4)CCN2C1=O ZINC000578670122 380945389 /nfs/dbraw/zinc/94/53/89/380945389.db2.gz ZFJJJMMDQWFADE-CVEARBPZSA-N 2 0 328.416 -0.241 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000417745773 380988384 /nfs/dbraw/zinc/98/83/84/380988384.db2.gz FLVQBSGGTDGAGG-OAHLLOKOSA-N 2 0 327.473 -0.356 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000579497427 380994458 /nfs/dbraw/zinc/99/44/58/380994458.db2.gz DTBZHFSBVKANAG-MCIONIFRSA-N 2 0 339.440 -0.949 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000582542532 381050100 /nfs/dbraw/zinc/05/01/00/381050100.db2.gz ZKZQSFGQQQMTQP-MRXNPFEDSA-N 2 0 345.484 -0.604 20 0 EBADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(=O)n(C)c(=O)n3C)C2)CC1 ZINC000610250438 381069333 /nfs/dbraw/zinc/06/93/33/381069333.db2.gz KKRFMMRTRLUOCK-HNNXBMFYSA-N 2 0 349.479 -0.316 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC[C@H]1[NH3+] ZINC000583746993 381133324 /nfs/dbraw/zinc/13/33/24/381133324.db2.gz JRRJSQRPQFYMPG-ZIAGYGMSSA-N 3 0 327.473 -0.866 20 0 EBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000584781838 381210100 /nfs/dbraw/zinc/21/01/00/381210100.db2.gz SUYNCQDHSPQUEL-KGLIPLIRSA-N 2 0 340.468 -0.201 20 0 EBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000418756465 381260433 /nfs/dbraw/zinc/26/04/33/381260433.db2.gz GZUVVKBIZILHBQ-CABCVRRESA-N 2 0 327.473 -0.358 20 0 EBADRP O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)NC[C@@H]1C[NH2+]CCO1 ZINC000418757157 381260839 /nfs/dbraw/zinc/26/08/39/381260839.db2.gz DJWRYHHSRWMPEL-ZACQAIPSSA-N 2 0 348.447 -0.091 20 0 EBADRP CC[N@H+](CCO)CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000347440276 381220127 /nfs/dbraw/zinc/22/01/27/381220127.db2.gz ZFZXYAMSFHUEDI-HOTGVXAUSA-N 2 0 342.484 -0.022 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[NH2+]CCOC)CC1 ZINC000418511828 381244303 /nfs/dbraw/zinc/24/43/03/381244303.db2.gz RYCACMNBVWXJCE-UHFFFAOYSA-N 2 0 343.472 -0.582 20 0 EBADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000418851064 381305075 /nfs/dbraw/zinc/30/50/75/381305075.db2.gz OXHFJKSJVZJCOA-JKSUJKDBSA-N 2 0 348.447 -0.620 20 0 EBADRP Cc1ccc([C@@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)[NH+](C)C)cc1 ZINC000418814588 381284866 /nfs/dbraw/zinc/28/48/66/381284866.db2.gz JYKCREANARZYBQ-JKSUJKDBSA-N 2 0 348.447 -0.100 20 0 EBADRP C[C@@H](NC(=O)C[C@H]1COCC[NH2+]1)C(=O)NCC[NH+]1CCCCC1 ZINC000564081927 381324221 /nfs/dbraw/zinc/32/42/21/381324221.db2.gz OFFGLDPGVZVYIN-KGLIPLIRSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CCCO1 ZINC000418883656 381330137 /nfs/dbraw/zinc/33/01/37/381330137.db2.gz VNYRSVUKGKHELI-LSDHHAIUSA-N 2 0 340.468 -0.057 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CCCO1 ZINC000418883653 381330487 /nfs/dbraw/zinc/33/04/87/381330487.db2.gz VNYRSVUKGKHELI-CABCVRRESA-N 2 0 340.468 -0.057 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000418920373 381342288 /nfs/dbraw/zinc/34/22/88/381342288.db2.gz KTSWBFPVKLYBQL-RBSFLKMASA-N 2 0 340.468 -0.426 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CN1CCCS1(=O)=O ZINC000348008425 381310104 /nfs/dbraw/zinc/31/01/04/381310104.db2.gz POCKGOXMPDSPDW-UHFFFAOYSA-N 2 0 348.513 -0.246 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000418948865 381350450 /nfs/dbraw/zinc/35/04/50/381350450.db2.gz UDLDXRXDJYTSPH-HNNXBMFYSA-N 2 0 334.420 -0.661 20 0 EBADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000419028048 381355438 /nfs/dbraw/zinc/35/54/38/381355438.db2.gz PTILXXJGEKKOHI-KBPBESRZSA-N 2 0 340.468 -0.282 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000419027246 381355808 /nfs/dbraw/zinc/35/58/08/381355808.db2.gz OFNGZTNUEVNVQW-UONOGXRCSA-N 2 0 328.457 -0.425 20 0 EBADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000419032784 381357957 /nfs/dbraw/zinc/35/79/57/381357957.db2.gz XFFWBDWBZIMLHE-UONOGXRCSA-N 2 0 340.468 -0.201 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000418907779 381343435 /nfs/dbraw/zinc/34/34/35/381343435.db2.gz MGSYATFXJVFMGP-CVEARBPZSA-N 2 0 348.447 -0.100 20 0 EBADRP [NH3+]CCN(CCO)C(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000419274986 381406164 /nfs/dbraw/zinc/40/61/64/381406164.db2.gz YJYAEMFVSVBOPY-UHFFFAOYSA-N 2 0 348.447 -0.322 20 0 EBADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419125287 381384082 /nfs/dbraw/zinc/38/40/82/381384082.db2.gz SXHNRKGBFKZTSQ-HUUCEWRRSA-N 2 0 340.468 -0.057 20 0 EBADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419167601 381391205 /nfs/dbraw/zinc/39/12/05/381391205.db2.gz IZWYSYRFQUDFRG-HUUCEWRRSA-N 2 0 340.468 -0.138 20 0 EBADRP CN(CC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419168986 381391823 /nfs/dbraw/zinc/39/18/23/381391823.db2.gz TWNDQKKYVQTNKP-MRXNPFEDSA-N 2 0 348.447 -0.189 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000419144509 381395036 /nfs/dbraw/zinc/39/50/36/381395036.db2.gz FKLCKFGBUXAPJV-LSDHHAIUSA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)C(C)(C)C ZINC000419140283 381395761 /nfs/dbraw/zinc/39/57/61/381395761.db2.gz VPNGAZMFKXHCAR-CHWSQXEVSA-N 2 0 328.457 -0.426 20 0 EBADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CC[NH2+]CC1 ZINC000419152121 381398241 /nfs/dbraw/zinc/39/82/41/381398241.db2.gz OBDZHZALTMMLFW-UHFFFAOYSA-N 2 0 334.420 -0.325 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000419349324 381422320 /nfs/dbraw/zinc/42/23/20/381422320.db2.gz DBWQUOQEKKKTDC-ZDUSSCGKSA-N 2 0 328.457 -0.425 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H](C)[NH+](CCO)C[C@H]2C)C1 ZINC000419463691 381440850 /nfs/dbraw/zinc/44/08/50/381440850.db2.gz NOZIRFPHDPRQMW-ZNMIVQPWSA-N 2 0 328.457 -0.196 20 0 EBADRP COC[C@]1(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC[NH2+]C1 ZINC000417828052 381445411 /nfs/dbraw/zinc/44/54/11/381445411.db2.gz PZTLFOYCUJCQRU-YPMHNXCESA-N 2 0 338.374 -0.435 20 0 EBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000419488049 381445491 /nfs/dbraw/zinc/44/54/91/381445491.db2.gz ZVUNUZTVOXUBRK-GASCZTMLSA-N 2 0 342.484 -0.360 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)[C@H](C)C[NH2+]1 ZINC000419480876 381446654 /nfs/dbraw/zinc/44/66/54/381446654.db2.gz NRXKCKPNJWLGBD-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000419533784 381449209 /nfs/dbraw/zinc/44/92/09/381449209.db2.gz JBJNVDQSJWVKOF-KBPBESRZSA-N 2 0 328.457 -0.297 20 0 EBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419337995 381420307 /nfs/dbraw/zinc/42/03/07/381420307.db2.gz RPXJSAWBESYYCL-OXHZDVMGSA-N 2 0 338.452 -0.186 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC[NH2+]1 ZINC000419687850 381473743 /nfs/dbraw/zinc/47/37/43/381473743.db2.gz QJQFOTYNQOATFI-AWEZNQCLSA-N 2 0 338.452 -0.432 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000419702382 381475005 /nfs/dbraw/zinc/47/50/05/381475005.db2.gz BJJBNNWUDFYOGL-MELADBBJSA-N 2 0 326.441 -0.543 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000419722126 381479070 /nfs/dbraw/zinc/47/90/70/381479070.db2.gz DIBTXKBXLRDIEP-KGLIPLIRSA-N 2 0 340.468 -0.282 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000419552631 381452443 /nfs/dbraw/zinc/45/24/43/381452443.db2.gz YYBULVJZJNTMQZ-KBPBESRZSA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NCCC[NH2+]C2CC2)CCSC1 ZINC000419581155 381459326 /nfs/dbraw/zinc/45/93/26/381459326.db2.gz IWXWPNRXRFIJEW-OAHLLOKOSA-N 2 0 328.482 -0.202 20 0 EBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000419579395 381459958 /nfs/dbraw/zinc/45/99/58/381459958.db2.gz HFKDLFDMSIHAHA-WFASDCNBSA-N 2 0 328.482 -0.250 20 0 EBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000419748629 381484776 /nfs/dbraw/zinc/48/47/76/381484776.db2.gz FYMUHGPUVIEYPA-CYBMUJFWSA-N 2 0 340.468 -0.188 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000419670091 381468243 /nfs/dbraw/zinc/46/82/43/381468243.db2.gz CILKYAPPSQRKDV-KGLIPLIRSA-N 2 0 328.457 -0.343 20 0 EBADRP C[C@H](NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)C1=CC[N@H+](C)CC1 ZINC000419633700 381469935 /nfs/dbraw/zinc/46/99/35/381469935.db2.gz ZJDJIBQYUXOFAQ-SGMGOOAPSA-N 2 0 338.452 -0.018 20 0 EBADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000419895383 381518605 /nfs/dbraw/zinc/51/86/05/381518605.db2.gz SIHFWZUNRFPKMV-HNNXBMFYSA-N 2 0 338.452 -0.575 20 0 EBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000419891151 381519401 /nfs/dbraw/zinc/51/94/01/381519401.db2.gz UCICUOHVLAHIKU-OAHLLOKOSA-N 2 0 337.468 -0.905 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000419770604 381489112 /nfs/dbraw/zinc/48/91/12/381489112.db2.gz FUOQIPXGEILAEV-ZDUSSCGKSA-N 2 0 328.457 -0.425 20 0 EBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000419773698 381490109 /nfs/dbraw/zinc/49/01/09/381490109.db2.gz ZZFKAVIPXDOISG-ZIAGYGMSSA-N 2 0 328.457 -0.201 20 0 EBADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419782513 381493586 /nfs/dbraw/zinc/49/35/86/381493586.db2.gz UIWUWBJXLOUCKW-STQMWFEESA-N 2 0 326.441 -0.591 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000419781559 381494950 /nfs/dbraw/zinc/49/49/50/381494950.db2.gz SRBBNAVEGWZTIY-ZDUSSCGKSA-N 2 0 328.457 -0.425 20 0 EBADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419782052 381495075 /nfs/dbraw/zinc/49/50/75/381495075.db2.gz STERVWBTAZPBJB-CHWSQXEVSA-N 2 0 326.441 -0.672 20 0 EBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000419814027 381497645 /nfs/dbraw/zinc/49/76/45/381497645.db2.gz OIPIMKJYOOEZMM-CVEARBPZSA-N 2 0 348.447 -0.100 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000420153412 381549559 /nfs/dbraw/zinc/54/95/59/381549559.db2.gz GQMYHRDBNRNOJY-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000420157764 381550462 /nfs/dbraw/zinc/55/04/62/381550462.db2.gz GQOSPAKIJSMQKV-UONOGXRCSA-N 2 0 340.468 -0.330 20 0 EBADRP CC(=O)N1CCN(CCNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000350915595 381577712 /nfs/dbraw/zinc/57/77/12/381577712.db2.gz ACXMLDJNPMUNMA-OAHLLOKOSA-N 2 0 326.441 -0.624 20 0 EBADRP O=C(CN1C(=O)CCC1=O)N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000420352367 381581207 /nfs/dbraw/zinc/58/12/07/381581207.db2.gz AHYHBJNJKMPVDM-UHFFFAOYSA-N 2 0 336.436 -0.331 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000420181790 381562370 /nfs/dbraw/zinc/56/23/70/381562370.db2.gz INLLOPSJUNLUIJ-OAHLLOKOSA-N 2 0 340.468 -0.185 20 0 EBADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420189351 381563538 /nfs/dbraw/zinc/56/35/38/381563538.db2.gz DPEKBIJXKKTOLI-MCIONIFRSA-N 2 0 326.441 -0.530 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000420183470 381564147 /nfs/dbraw/zinc/56/41/47/381564147.db2.gz MHZOLTOAUJNUNS-HNNXBMFYSA-N 2 0 340.468 -0.185 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000420185311 381564178 /nfs/dbraw/zinc/56/41/78/381564178.db2.gz PCWBURGVNZWSNR-KBPBESRZSA-N 2 0 328.457 -0.425 20 0 EBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420202059 381569481 /nfs/dbraw/zinc/56/94/81/381569481.db2.gz PBDXXWJRWJYOGL-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000571744967 381617777 /nfs/dbraw/zinc/61/77/77/381617777.db2.gz BEMQGNSGVMDKKV-CVEARBPZSA-N 2 0 339.484 -0.214 20 0 EBADRP C[NH+](C[C@H](O)CN1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1)C1CC1 ZINC000351332471 381619286 /nfs/dbraw/zinc/61/92/86/381619286.db2.gz ACIMXZIAWIADMX-HDICACEKSA-N 2 0 340.512 -0.486 20 0 EBADRP CCOCC[N@@H+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@@H]1CC ZINC000351555106 381643324 /nfs/dbraw/zinc/64/33/24/381643324.db2.gz KLTKURLGMZJPPL-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000572234645 381651753 /nfs/dbraw/zinc/65/17/53/381651753.db2.gz URAIEYBTVKZTFM-UONOGXRCSA-N 2 0 325.457 -0.970 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC[NH2+]1 ZINC000331840630 381723151 /nfs/dbraw/zinc/72/31/51/381723151.db2.gz UFEMVKXMPLADQL-HUUCEWRRSA-N 2 0 338.452 -0.623 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000627457921 381801572 /nfs/dbraw/zinc/80/15/72/381801572.db2.gz NYTOUTGMYBYTFK-QLFBSQMISA-N 2 0 340.468 -0.188 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612874218 381875287 /nfs/dbraw/zinc/87/52/87/381875287.db2.gz CEUSGMAXZYVRSC-CJNGLKHVSA-N 2 0 325.457 -0.020 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)CNC(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000352087559 381870477 /nfs/dbraw/zinc/87/04/77/381870477.db2.gz PGVQQYITFDJANK-OAHLLOKOSA-N 2 0 328.457 -0.297 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CCO1 ZINC000643498773 381905220 /nfs/dbraw/zinc/90/52/20/381905220.db2.gz TWIIUUOCZDSWCZ-SOUVJXGZSA-N 2 0 338.452 -0.352 20 0 EBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000643500357 381906620 /nfs/dbraw/zinc/90/66/20/381906620.db2.gz IRUQDBOZHSQERS-ZIAGYGMSSA-N 2 0 326.441 -0.496 20 0 EBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000643500354 381906913 /nfs/dbraw/zinc/90/69/13/381906913.db2.gz IRUQDBOZHSQERS-KBPBESRZSA-N 2 0 326.441 -0.496 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000627464413 381906938 /nfs/dbraw/zinc/90/69/38/381906938.db2.gz AQVXGVZLTCYCBS-HNNXBMFYSA-N 2 0 340.468 -0.185 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000627464762 381908710 /nfs/dbraw/zinc/90/87/10/381908710.db2.gz MLQYSRKGEBMJAW-AWEZNQCLSA-N 2 0 326.441 -0.575 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000333468134 381923853 /nfs/dbraw/zinc/92/38/53/381923853.db2.gz DASRQGOJKNFXBZ-HZPDHXFCSA-N 2 0 339.484 -0.214 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000626931030 381958142 /nfs/dbraw/zinc/95/81/42/381958142.db2.gz PKPNZZKZKBKJDZ-UHFFFAOYSA-N 2 0 329.489 -0.110 20 0 EBADRP Cc1oc(S(N)(=O)=O)cc1C(=O)NCCN(C)CCC[NH+](C)C ZINC000617763986 381970983 /nfs/dbraw/zinc/97/09/83/381970983.db2.gz DVFAEBODVUSIGI-UHFFFAOYSA-N 2 0 346.453 -0.151 20 0 EBADRP CN(CCC[NH+](C)C)CCNC(=O)Cn1nnc2ccccc2c1=O ZINC000617767876 381972617 /nfs/dbraw/zinc/97/26/17/381972617.db2.gz GTPWGAKAOAOYRL-UHFFFAOYSA-N 2 0 346.435 -0.209 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000333729022 381952092 /nfs/dbraw/zinc/95/20/92/381952092.db2.gz VVFBYYFGQZAWAE-OAHLLOKOSA-N 2 0 335.452 -0.146 20 0 EBADRP C[C@H](O)CN1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)[C@@H](C)C1 ZINC000430437138 382018181 /nfs/dbraw/zinc/01/81/81/382018181.db2.gz UMNYYWSJOVZTLF-SOUVJXGZSA-N 2 0 340.468 -0.690 20 0 EBADRP O=S(=O)(C1CC1)N1CCC([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000629566834 382225903 /nfs/dbraw/zinc/22/59/03/382225903.db2.gz IPWQRKQRHSBUQV-CQSZACIVSA-N 2 0 331.482 -0.011 20 0 EBADRP CC[NH+]1CCC(NC(=O)CN2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000330513795 285187975 /nfs/dbraw/zinc/18/79/75/285187975.db2.gz UBDOUZKQYGBKPB-UHFFFAOYSA-N 2 0 326.485 -0.025 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CC1 ZINC000328991556 155201058 /nfs/dbraw/zinc/20/10/58/155201058.db2.gz DHGFGONVBDEERM-CVEARBPZSA-N 2 0 349.479 -0.859 20 0 EBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)CC1=O ZINC000329196533 155209774 /nfs/dbraw/zinc/20/97/74/155209774.db2.gz TUPBITXLAYXVRC-QLFBSQMISA-N 2 0 338.452 -0.672 20 0 EBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)CC1=O ZINC000329196534 155210880 /nfs/dbraw/zinc/21/08/80/155210880.db2.gz TUPBITXLAYXVRC-RBSFLKMASA-N 2 0 338.452 -0.672 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)n1 ZINC000172723323 154098774 /nfs/dbraw/zinc/09/87/74/154098774.db2.gz GAVGLMFKNRKOJU-ZDUSSCGKSA-N 2 0 336.440 -0.207 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+]C(C)(C)CC(N)=O)C1 ZINC000186207815 154144308 /nfs/dbraw/zinc/14/43/08/154144308.db2.gz HWTACVQOAJAQIU-CYBMUJFWSA-N 2 0 328.457 -0.297 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@]2(C)CCC[NH2+]C2)cn1 ZINC000237171068 154170962 /nfs/dbraw/zinc/17/09/62/154170962.db2.gz CELPZCWFRXTOPF-MRXNPFEDSA-N 2 0 336.440 -0.111 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000237171272 154171528 /nfs/dbraw/zinc/17/15/28/154171528.db2.gz HRSBXKKULWTIGW-AWEZNQCLSA-N 2 0 348.451 -0.111 20 0 EBADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCCN1CC[NH2+]CC1 ZINC000238025860 154175635 /nfs/dbraw/zinc/17/56/35/154175635.db2.gz SXRXDEAHNNMHQK-UHFFFAOYSA-N 2 0 346.479 -0.385 20 0 EBADRP OC[C@H]1C[C@H](O)C[N@@H+]1Cc1cccc(C[NH+]2C[C@@H](O)C[C@H]2CO)c1 ZINC000248393802 154189369 /nfs/dbraw/zinc/18/93/69/154189369.db2.gz MGSJSULRSZFLFV-MHORFTMASA-N 2 0 336.432 -0.458 20 0 EBADRP O=C(CCN1CCn2c(nnc2C(F)(F)F)C1)N1CC[NH2+]CC1 ZINC000261682011 154195789 /nfs/dbraw/zinc/19/57/89/154195789.db2.gz IFIZJFJBYXRZCY-UHFFFAOYSA-N 2 0 332.330 -0.066 20 0 EBADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262409763 154229790 /nfs/dbraw/zinc/22/97/90/154229790.db2.gz PCWCBWUNCZPBRA-SJORKVTESA-N 2 0 332.448 -0.357 20 0 EBADRP CC[C@@H](NC(=O)CNC(=O)C[NH3+])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000262420363 154230171 /nfs/dbraw/zinc/23/01/71/154230171.db2.gz QWKPIMRLVFFDSV-HZPDHXFCSA-N 2 0 348.447 -0.143 20 0 EBADRP CC[C@H]1CN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC[N@@H+]1CCOC ZINC000263077178 154253423 /nfs/dbraw/zinc/25/34/23/154253423.db2.gz CPRXBMGSUSPHPQ-ZFWWWQNUSA-N 2 0 328.457 -0.345 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000343014980 156086141 /nfs/dbraw/zinc/08/61/41/156086141.db2.gz LXMILXNAHXMWKK-DZGCQCFKSA-N 2 0 340.468 -0.188 20 0 EBADRP C[N@H+](CC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)[C@H]1CCSC1 ZINC000343572585 156144858 /nfs/dbraw/zinc/14/48/58/156144858.db2.gz FDPPXVVDMLXELQ-STQMWFEESA-N 2 0 328.482 -0.120 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000343864478 156175285 /nfs/dbraw/zinc/17/52/85/156175285.db2.gz QMOSAARRKACFIS-IRXDYDNUSA-N 2 0 337.512 -0.234 20 0 EBADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH+](CCOC)C2)C1 ZINC000343882616 156177196 /nfs/dbraw/zinc/17/71/96/156177196.db2.gz DWCHDOMBEJRBLM-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000343892821 156180818 /nfs/dbraw/zinc/18/08/18/156180818.db2.gz PKLKGMAWKBMNET-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000345521867 156341215 /nfs/dbraw/zinc/34/12/15/156341215.db2.gz LWNVETDYJZGMRF-UONOGXRCSA-N 2 0 326.441 -0.767 20 0 EBADRP CC(C)N1CC[C@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)C1=O ZINC000356626530 157081837 /nfs/dbraw/zinc/08/18/37/157081837.db2.gz GWKVKUNHCRRLCX-INIZCTEOSA-N 2 0 326.485 -0.025 20 0 EBADRP CC[NH+]1CCN(CCC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)CC1 ZINC000356925612 157103810 /nfs/dbraw/zinc/10/38/10/157103810.db2.gz URVLMCBVAVGYSH-HZPDHXFCSA-N 2 0 326.485 -0.073 20 0 EBADRP CC[NH+]1CCN(CCC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)CC1 ZINC000356925620 157104640 /nfs/dbraw/zinc/10/46/40/157104640.db2.gz URVLMCBVAVGYSH-JKSUJKDBSA-N 2 0 326.485 -0.073 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000357579524 157156985 /nfs/dbraw/zinc/15/69/85/157156985.db2.gz PDHVGXAOXAPJKF-UONOGXRCSA-N 2 0 340.468 -0.188 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCO[C@@H](C[NH3+])C2)C1 ZINC000358140020 157214277 /nfs/dbraw/zinc/21/42/77/157214277.db2.gz TYXISTNRTJSKTF-LSDHHAIUSA-N 2 0 328.457 -0.881 20 0 EBADRP CN(CCCNC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2)S(C)(=O)=O ZINC000358498511 157248542 /nfs/dbraw/zinc/24/85/42/157248542.db2.gz CNRSSRWUZWPTKT-UHFFFAOYSA-N 2 0 346.497 -0.540 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000358571472 157263990 /nfs/dbraw/zinc/26/39/90/157263990.db2.gz OVBMDUNYHBELER-KGLIPLIRSA-N 2 0 328.457 -0.521 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000358575731 157264146 /nfs/dbraw/zinc/26/41/46/157264146.db2.gz VOEUOSOYDJWAQT-HUUCEWRRSA-N 2 0 342.484 -0.083 20 0 EBADRP O=C(CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(c2ncccn2)CC1 ZINC000359269852 157306904 /nfs/dbraw/zinc/30/69/04/157306904.db2.gz DIVAZWMTDHMZFI-GJZGRUSLSA-N 2 0 330.436 -0.334 20 0 EBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCCN1CCOC[C@@H]1C ZINC000359264458 157307283 /nfs/dbraw/zinc/30/72/83/157307283.db2.gz OXIYPHHBPUWXKI-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCOCC[NH+](C)C)[C@@H](C)C1 ZINC000360273647 157369917 /nfs/dbraw/zinc/36/99/17/157369917.db2.gz TZWMCCARYGOMER-GJZGRUSLSA-N 2 0 342.484 -0.131 20 0 EBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000360272567 157370128 /nfs/dbraw/zinc/37/01/28/157370128.db2.gz OHOSNNWXWQZJIU-AWEZNQCLSA-N 2 0 328.457 -0.519 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCCOCC[NH+](C)C)C[N@@H+]1C1CC1 ZINC000360279287 157371768 /nfs/dbraw/zinc/37/17/68/157371768.db2.gz NTVKAPAJPWJGRZ-OLZOCXBDSA-N 2 0 326.441 -0.578 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000360279746 157371790 /nfs/dbraw/zinc/37/17/90/157371790.db2.gz QAPADSMSHBUKEI-UHFFFAOYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000360287082 157373940 /nfs/dbraw/zinc/37/39/40/157373940.db2.gz SDLQLIGSVUDGOY-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000671032341 545898220 /nfs/dbraw/zinc/89/82/20/545898220.db2.gz AVAVVUSSEHJXEF-CQSZACIVSA-N 2 0 326.441 -0.575 20 0 EBADRP C[NH2+]CCN(C)C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000419199609 418963959 /nfs/dbraw/zinc/96/39/59/418963959.db2.gz DUOQDCJVPQMONJ-UHFFFAOYSA-N 2 0 336.436 -0.079 20 0 EBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(CCOC)CC[NH+](C)C)C1 ZINC000410505320 419034829 /nfs/dbraw/zinc/03/48/29/419034829.db2.gz UXYSLRWDMHJPPK-OAHLLOKOSA-N 2 0 342.484 -0.177 20 0 EBADRP CC[NH+](CC)CCN(C(=O)COCC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000648149284 418984388 /nfs/dbraw/zinc/98/43/88/418984388.db2.gz HWFGNFPJQVCXLN-CYBMUJFWSA-N 2 0 335.470 -0.681 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCC[NH2+]CC2)cn1 ZINC000653122095 418990832 /nfs/dbraw/zinc/99/08/32/418990832.db2.gz LJZPYDHTLJSITC-CYBMUJFWSA-N 2 0 336.440 -0.111 20 0 EBADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000653137791 418993535 /nfs/dbraw/zinc/99/35/35/418993535.db2.gz TUPAVUCJUDZHMP-QWRGUYRKSA-N 2 0 325.379 -0.782 20 0 EBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000653150169 418995904 /nfs/dbraw/zinc/99/59/04/418995904.db2.gz STAIZIRGHFAVNI-JKSUJKDBSA-N 2 0 325.501 -0.106 20 0 EBADRP CN(CCC[NH+](C)C)CCNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000662857506 419004082 /nfs/dbraw/zinc/00/40/82/419004082.db2.gz NEMHQWYVHRBGMY-UHFFFAOYSA-N 2 0 348.513 -0.847 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000647597838 419121788 /nfs/dbraw/zinc/12/17/88/419121788.db2.gz SSXDAJDBTUSTHH-SOUVJXGZSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000647597089 419121873 /nfs/dbraw/zinc/12/18/73/419121873.db2.gz LLJCRJXPBSXSDP-RRFJBIMHSA-N 2 0 339.484 -0.533 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1nc2n(n1)CCCN2 ZINC000643773745 419050803 /nfs/dbraw/zinc/05/08/03/419050803.db2.gz UBYDAIXTHNDPLL-UHFFFAOYSA-N 2 0 337.472 -0.303 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000653261682 419056251 /nfs/dbraw/zinc/05/62/51/419056251.db2.gz VZJGKIQIRPWHTP-NHIYQJMISA-N 2 0 340.468 -0.027 20 0 EBADRP CC[C@H](CNS(C)(=O)=O)[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000644657413 419171495 /nfs/dbraw/zinc/17/14/95/419171495.db2.gz MDTWFVRYAZGQTF-RQJABVFESA-N 2 0 337.486 -0.626 20 0 EBADRP CCO[C@@H]1CN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000652148172 419229505 /nfs/dbraw/zinc/22/95/05/419229505.db2.gz PZFXGZIQCAFBTC-RRFJBIMHSA-N 2 0 327.473 -0.373 20 0 EBADRP CCO[C@@H]1CN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000652148171 419229569 /nfs/dbraw/zinc/22/95/69/419229569.db2.gz PZFXGZIQCAFBTC-RBSFLKMASA-N 2 0 327.473 -0.373 20 0 EBADRP CC[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[C@@H]1[NH3+] ZINC000652623400 419242018 /nfs/dbraw/zinc/24/20/18/419242018.db2.gz HYIYIIPDCAMJQS-OCCSQVGLSA-N 2 0 336.440 -0.031 20 0 EBADRP COC[C@@H]1C[C@H](O)CN1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000411917485 419297086 /nfs/dbraw/zinc/29/70/86/419297086.db2.gz CLMTXGZILPZJEC-JYJNAYRXSA-N 2 0 343.468 -0.459 20 0 EBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000652705990 419301395 /nfs/dbraw/zinc/30/13/95/419301395.db2.gz SKHBDGKWHOHOQX-AWEZNQCLSA-N 2 0 327.473 -0.818 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)N1CC[NH+](C)C[C@H](C(=O)OC)C1 ZINC000413141794 419306759 /nfs/dbraw/zinc/30/67/59/419306759.db2.gz YHMRGSMKGNJSMS-AWEZNQCLSA-N 2 0 344.456 -0.299 20 0 EBADRP O=C([C@@H]1CCC[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1)N1CC[NH2+]CC1 ZINC000647825574 419308931 /nfs/dbraw/zinc/30/89/31/419308931.db2.gz HOMXMYDMCCDZSS-ZACQAIPSSA-N 2 0 336.480 -0.007 20 0 EBADRP COC(=O)CC[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000342767027 419398537 /nfs/dbraw/zinc/39/85/37/419398537.db2.gz ZUUMBJCZLVDQDO-QWHCGFSZSA-N 2 0 342.440 -0.674 20 0 EBADRP C[NH+](C)CCOCCNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415950671 419421700 /nfs/dbraw/zinc/42/17/00/419421700.db2.gz IDLSSHFRXHRXPE-UHFFFAOYSA-N 2 0 337.428 -0.414 20 0 EBADRP C[NH+](C)[C@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@@H]1O ZINC000647995755 419458153 /nfs/dbraw/zinc/45/81/53/419458153.db2.gz ZNLQRWOZOYFCEM-BPUTZDHNSA-N 2 0 340.468 -0.196 20 0 EBADRP [NH3+][C@H]1C[C@H]2CN(CCCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000519426293 419527576 /nfs/dbraw/zinc/52/75/76/419527576.db2.gz HVOQQKNKDQQSCV-WFASDCNBSA-N 2 0 342.399 -0.084 20 0 EBADRP COC[C@@H]1CN([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C[C@H](C)O1 ZINC000527367635 419529174 /nfs/dbraw/zinc/52/91/74/419529174.db2.gz VEQHUFVIQGLXFQ-MELADBBJSA-N 2 0 327.425 -0.199 20 0 EBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000653427187 419551692 /nfs/dbraw/zinc/55/16/92/419551692.db2.gz GYMPQVSCIHIUOV-LSDHHAIUSA-N 2 0 342.484 -0.084 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H]1CO ZINC000514585369 419640394 /nfs/dbraw/zinc/64/03/94/419640394.db2.gz ACQYBCAPOFLHIJ-KGLIPLIRSA-N 2 0 328.457 -0.975 20 0 EBADRP C[C@@H]1OCC[C@]1(O)CNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000375734510 419738447 /nfs/dbraw/zinc/73/84/47/419738447.db2.gz FTIYTDNTZWWFBO-ZQIUZPCESA-N 2 0 340.468 -0.006 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000659756911 419811473 /nfs/dbraw/zinc/81/14/73/419811473.db2.gz TUGRTBYVXTZPLF-ZDUSSCGKSA-N 2 0 327.473 -0.805 20 0 EBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000419959651 419821795 /nfs/dbraw/zinc/82/17/95/419821795.db2.gz RJHRCJMWTPPVCG-LSDHHAIUSA-N 2 0 339.484 -0.674 20 0 EBADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000420006052 419828524 /nfs/dbraw/zinc/82/85/24/419828524.db2.gz XOQPXUVPGZGIHS-CQSZACIVSA-N 2 0 328.457 -0.281 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000422355453 419885540 /nfs/dbraw/zinc/88/55/40/419885540.db2.gz WAHCKZUDLAZCEZ-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP CN(C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1)c1nccn(C)c1=O ZINC000261831455 419862764 /nfs/dbraw/zinc/86/27/64/419862764.db2.gz JBDKSGWRPVVZQO-OAHLLOKOSA-N 2 0 335.452 -0.083 20 0 EBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000423064675 419920481 /nfs/dbraw/zinc/92/04/81/419920481.db2.gz ZKWZTYWFKVFDPA-ZIAGYGMSSA-N 2 0 326.441 -0.495 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)c1 ZINC000423258910 419925460 /nfs/dbraw/zinc/92/54/60/419925460.db2.gz NBSZCNCYTPQWOJ-ZDUSSCGKSA-N 2 0 347.419 -0.312 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423261974 419926955 /nfs/dbraw/zinc/92/69/55/419926955.db2.gz LFUUYSWJXIURST-CQSZACIVSA-N 2 0 328.457 -0.390 20 0 EBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000645951441 420529405 /nfs/dbraw/zinc/52/94/05/420529405.db2.gz IQQSVICXWMXQDT-OCCSQVGLSA-N 2 0 349.439 -0.900 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000659318590 420530493 /nfs/dbraw/zinc/53/04/93/420530493.db2.gz OUQNUXZAFGNHFM-QGZVFWFLSA-N 2 0 340.468 -0.423 20 0 EBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC2)C1 ZINC000646002951 420530983 /nfs/dbraw/zinc/53/09/83/420530983.db2.gz KXTZDQZWRYJFFJ-LSDHHAIUSA-N 2 0 337.468 -0.907 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000516562165 420577584 /nfs/dbraw/zinc/57/75/84/420577584.db2.gz BLNONRXDVRHTFB-GASCZTMLSA-N 3 0 339.484 -0.709 20 0 EBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCCC[NH2+]Cc1cccnc1 ZINC000646615270 420676968 /nfs/dbraw/zinc/67/69/68/420676968.db2.gz HVKIZZXLTMLQLI-OAHLLOKOSA-N 2 0 333.436 -0.064 20 0 EBADRP C[C@H](CCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000653829262 420705600 /nfs/dbraw/zinc/70/56/00/420705600.db2.gz HIRAMYJLYWQTFM-DISONHOPSA-N 2 0 338.496 -0.733 20 0 EBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529391167 420767220 /nfs/dbraw/zinc/76/72/20/420767220.db2.gz YNXLSCGQCZKHFC-CHWSQXEVSA-N 2 0 327.429 -0.996 20 0 EBADRP CCN1CCO[C@@H](C(=O)NC[C@]2(CO)COCC3(CCC3)N2C)C1 ZINC000529753464 420771032 /nfs/dbraw/zinc/77/10/32/420771032.db2.gz RLFWRWMABXDRTR-PBHICJAKSA-N 2 0 341.452 -0.561 20 0 EBADRP CC[NH+]1CCN(CC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)CC1 ZINC000649074805 420786106 /nfs/dbraw/zinc/78/61/06/420786106.db2.gz PWZYZMRUHRTFJL-AWEZNQCLSA-N 2 0 325.457 -0.798 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cn1nc2ccccn2c1=O ZINC000540922321 420788181 /nfs/dbraw/zinc/78/81/81/420788181.db2.gz AFTOQZSTFFSMGR-UHFFFAOYSA-N 2 0 334.424 -0.552 20 0 EBADRP CN1CCN(C(=O)c2ccccc2NC(=O)CNC(=O)C[NH3+])CC1 ZINC000649285830 420796223 /nfs/dbraw/zinc/79/62/23/420796223.db2.gz XNGPQXHMSBVJBR-UHFFFAOYSA-N 2 0 333.392 -0.912 20 0 EBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000649313290 420797919 /nfs/dbraw/zinc/79/79/19/420797919.db2.gz YPVLJSVEAILJOE-VXGBXAGGSA-N 2 0 332.395 -0.065 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@@H](C)O1 ZINC000654362663 420825960 /nfs/dbraw/zinc/82/59/60/420825960.db2.gz YCOJHEVGCZLHGY-LVQVYYBASA-N 2 0 340.468 -0.054 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(-n2cnnn2)cn1 ZINC000654733581 420836498 /nfs/dbraw/zinc/83/64/98/420836498.db2.gz ZDLNBUUJDFTPOB-UHFFFAOYSA-N 2 0 332.412 -0.377 20 0 EBADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000655956335 420860209 /nfs/dbraw/zinc/86/02/09/420860209.db2.gz VPWQHZPXXVEYTJ-TUKIKUTGSA-N 2 0 332.404 -0.078 20 0 EBADRP C[C@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656022204 420867188 /nfs/dbraw/zinc/86/71/88/420867188.db2.gz UXBSSCLGSJXJHP-KBXIAJHMSA-N 2 0 340.468 -0.284 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656039894 420868384 /nfs/dbraw/zinc/86/83/84/420868384.db2.gz KONGUDNGNGFEEO-ZSAUSMIDSA-N 2 0 340.468 -0.204 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000656039856 420869087 /nfs/dbraw/zinc/86/90/87/420869087.db2.gz JKQFQISEVYFEKV-IGQOVBAYSA-N 2 0 326.441 -0.450 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656041293 420869345 /nfs/dbraw/zinc/86/93/45/420869345.db2.gz OZYGRRVVSLWLAP-RQJABVFESA-N 2 0 326.441 -0.579 20 0 EBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656084603 420877884 /nfs/dbraw/zinc/87/78/84/420877884.db2.gz YRSRSJGPHVJKQN-QLFBSQMISA-N 2 0 338.452 -0.795 20 0 EBADRP O=C(N[C@@H]1CC[NH+]2CCCC[C@H]12)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656299718 420886623 /nfs/dbraw/zinc/88/66/23/420886623.db2.gz BXRHDKCBPUHSNE-GBJTYRQASA-N 2 0 336.436 -0.993 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656307468 420888030 /nfs/dbraw/zinc/88/80/30/420888030.db2.gz POZXZTWLGPYMLU-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000656298598 420888078 /nfs/dbraw/zinc/88/80/78/420888078.db2.gz ISGJWKMDZOQWLV-ZENOOKHLSA-N 2 0 342.509 -0.004 20 0 EBADRP C[C@@H](NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C(C)(C)C[NH+](C)C ZINC000656322452 420890930 /nfs/dbraw/zinc/89/09/30/420890930.db2.gz RKSIYBDIVDKIIR-HZSPNIEDSA-N 2 0 340.468 -0.644 20 0 EBADRP C[N@H+](CCCCNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000656337097 420891214 /nfs/dbraw/zinc/89/12/14/420891214.db2.gz GPTGYUPLXTXENB-LSDHHAIUSA-N 2 0 338.452 -0.746 20 0 EBADRP CN(C[C@H](O)C1CC1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000659318538 420995576 /nfs/dbraw/zinc/99/55/76/420995576.db2.gz LMTXEYWPGUERRD-AWEZNQCLSA-N 2 0 328.457 -0.833 20 0 EBADRP [NH3+]CC12CC(C1)CN2C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000659456306 420999399 /nfs/dbraw/zinc/99/93/99/420999399.db2.gz KLRKOLWXUGIRMR-CKDBGZEDSA-N 2 0 337.468 -0.474 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659451715 420999742 /nfs/dbraw/zinc/99/97/42/420999742.db2.gz JRPKJQUPDQQGEF-GFCCVEGCSA-N 2 0 338.412 -0.449 20 0 EBADRP O=C(CNC(=O)NCC1CC[NH+](CC2CC2)CC1)N1CC[NH2+]CC1 ZINC000659509251 421002706 /nfs/dbraw/zinc/00/27/06/421002706.db2.gz YKIISOPXBQRIST-UHFFFAOYSA-N 2 0 337.468 -0.161 20 0 EBADRP COC[C@]1(CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CCC[NH2+]1 ZINC000659542470 421003930 /nfs/dbraw/zinc/00/39/30/421003930.db2.gz PTTKTWINTFTYJK-MRXNPFEDSA-N 2 0 343.472 -0.584 20 0 EBADRP CN1CCN(C(=O)NCCN2C[C@@H]3CCCCN3C2=O)[C@H](C[NH3+])C1 ZINC000659611479 421004982 /nfs/dbraw/zinc/00/49/82/421004982.db2.gz QXRXFUCKHLAEFJ-UONOGXRCSA-N 2 0 338.456 -0.439 20 0 EBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659675935 421012782 /nfs/dbraw/zinc/01/27/82/421012782.db2.gz UHRJGNIZHJCBOA-SNVBAGLBSA-N 2 0 338.412 -0.896 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CCO1 ZINC000659716758 421019419 /nfs/dbraw/zinc/01/94/19/421019419.db2.gz CKWPXZXFXHINEE-KBPBESRZSA-N 2 0 326.441 -0.591 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CCO1 ZINC000659716042 421020095 /nfs/dbraw/zinc/02/00/95/421020095.db2.gz UACXPLHHNBKRPC-QLFBSQMISA-N 2 0 340.468 -0.058 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000659720912 421020742 /nfs/dbraw/zinc/02/07/42/421020742.db2.gz BRGJUIWQMJBDKR-QLFBSQMISA-N 2 0 340.468 -0.330 20 0 EBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000659722331 421022040 /nfs/dbraw/zinc/02/20/40/421022040.db2.gz DMXGTXROTGOSMW-CHWSQXEVSA-N 2 0 326.441 -0.530 20 0 EBADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659730500 421024562 /nfs/dbraw/zinc/02/45/62/421024562.db2.gz XLJMCSWKCKMYRE-HIFRSBDPSA-N 2 0 338.452 -0.386 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C[C@H](C)O1 ZINC000659744593 421028187 /nfs/dbraw/zinc/02/81/87/421028187.db2.gz XXLRWNKNDVUKEJ-HFZWIWRYSA-N 2 0 338.452 -0.530 20 0 EBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCO[C@H]2C[NH3+])c1 ZINC000662402822 421087278 /nfs/dbraw/zinc/08/72/78/421087278.db2.gz OMJPZNAQICQAIS-OLZOCXBDSA-N 2 0 342.421 -0.774 20 0 EBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662833576 421104772 /nfs/dbraw/zinc/10/47/72/421104772.db2.gz SJUKXXYHMBCADV-CABCVRRESA-N 2 0 338.452 -0.432 20 0 EBADRP CN(C(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900720 421106569 /nfs/dbraw/zinc/10/65/69/421106569.db2.gz OTKCBASTKCDWGD-LESCRADOSA-N 2 0 336.480 -0.151 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000662939284 421112254 /nfs/dbraw/zinc/11/22/54/421112254.db2.gz UCMLPJDFLLNHKB-UHFFFAOYSA-N 2 0 335.408 -0.454 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000662939803 421112665 /nfs/dbraw/zinc/11/26/65/421112665.db2.gz JCAZOFDKZFICPL-UHFFFAOYSA-N 2 0 328.457 -0.247 20 0 EBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000662949578 421115867 /nfs/dbraw/zinc/11/58/67/421115867.db2.gz CAHZYZVUHDCOSE-UONOGXRCSA-N 2 0 326.441 -0.624 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CCO1 ZINC000662989963 421121747 /nfs/dbraw/zinc/12/17/47/421121747.db2.gz BFZXOXQYPXQZMP-MGPQQGTHSA-N 2 0 344.431 -0.547 20 0 EBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662340416 421084176 /nfs/dbraw/zinc/08/41/76/421084176.db2.gz DNVSKQQYRNPQFP-QLFBSQMISA-N 2 0 340.468 -0.155 20 0 EBADRP C[C@H](NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[C@@H]1CN(C)CCO1 ZINC000664489386 421157358 /nfs/dbraw/zinc/15/73/58/421157358.db2.gz ADRYOWYQXYZPKF-IMJJTQAJSA-N 2 0 340.468 -0.054 20 0 EBADRP C[C@H](NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[C@H]1CN(C)CCO1 ZINC000664489387 421157695 /nfs/dbraw/zinc/15/76/95/421157695.db2.gz ADRYOWYQXYZPKF-NUEKZKHPSA-N 2 0 340.468 -0.054 20 0 EBADRP O=C(NCC[NH+]1CCCC1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000344808204 421227162 /nfs/dbraw/zinc/22/71/62/421227162.db2.gz DOODNVCPXWJEQA-UHFFFAOYSA-N 2 0 328.376 0.418 20 0 EBADRP CC1=CC[N@H+](CCNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000358380946 421234815 /nfs/dbraw/zinc/23/48/15/421234815.db2.gz GVTBHXKEIKDZDP-UHFFFAOYSA-N 2 0 348.451 0.151 20 0 EBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000446800772 421209799 /nfs/dbraw/zinc/20/97/99/421209799.db2.gz FFNVKZBSOWQLRW-GXTWGEPZSA-N 2 0 348.451 -0.018 20 0 EBADRP COCCCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000392010834 264687117 /nfs/dbraw/zinc/68/71/17/264687117.db2.gz FTCZHLYTCASHBX-HUUCEWRRSA-N 2 0 340.468 -0.281 20 0 EBADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419735433 264885316 /nfs/dbraw/zinc/88/53/16/264885316.db2.gz QLACZNDWFZKYQH-LSDHHAIUSA-N 2 0 338.452 -0.386 20 0 EBADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000419931730 264907857 /nfs/dbraw/zinc/90/78/57/264907857.db2.gz DTQQRTZFZSBZBQ-SOUVJXGZSA-N 2 0 340.468 -0.140 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000420051065 264917316 /nfs/dbraw/zinc/91/73/16/264917316.db2.gz ZXCVDZSWKRULLB-LSDHHAIUSA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3OC)CC2)C1 ZINC000423393591 265002861 /nfs/dbraw/zinc/00/28/61/265002861.db2.gz YVUQHLHHTKAAHD-ZDUSSCGKSA-N 2 0 347.419 -0.441 20 0 EBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423421860 265003363 /nfs/dbraw/zinc/00/33/63/265003363.db2.gz CCEALTZQKMHBSL-HNNXBMFYSA-N 2 0 339.484 -0.707 20 0 EBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])C1 ZINC000423680753 265031967 /nfs/dbraw/zinc/03/19/67/265031967.db2.gz UUNLMYMKFPEZQG-ILXRZTDVSA-N 2 0 340.468 -0.106 20 0 EBADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000424458336 265062769 /nfs/dbraw/zinc/06/27/69/265062769.db2.gz TVOLWXGDUVWZGH-OAHLLOKOSA-N 2 0 333.436 -0.246 20 0 EBADRP COCC(C)(C)N1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC000424490981 265067027 /nfs/dbraw/zinc/06/70/27/265067027.db2.gz BIJZBRVVEHVMMV-UONOGXRCSA-N 2 0 340.468 -0.236 20 0 EBADRP CN(CC[NH+](C)C)C(=O)[C@H]1CC[C@H](C(=O)N(C)CC[NH+](C)C)O1 ZINC000427245027 265103550 /nfs/dbraw/zinc/10/35/50/265103550.db2.gz YKSNMDYQDUIYPH-ZIAGYGMSSA-N 2 0 328.457 -0.426 20 0 EBADRP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430618466 265150024 /nfs/dbraw/zinc/15/00/24/265150024.db2.gz UMLIGLVGBUVRHS-GHMZBOCLSA-N 2 0 325.413 -0.850 20 0 EBADRP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430635719 265150898 /nfs/dbraw/zinc/15/08/98/265150898.db2.gz WCVPXZWCPBKFBT-NWDGAFQWSA-N 2 0 341.456 -0.214 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430651164 265151920 /nfs/dbraw/zinc/15/19/20/265151920.db2.gz VUDJUMJOTRJHPO-NWDGAFQWSA-N 2 0 327.429 -0.604 20 0 EBADRP COC1(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC[NH2+]CC1 ZINC000430893134 265156213 /nfs/dbraw/zinc/15/62/13/265156213.db2.gz DGIVLRJXYIPPML-ZDUSSCGKSA-N 2 0 326.441 -0.541 20 0 EBADRP COCC[C@]1(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC[NH2+]C1 ZINC000430888683 265156341 /nfs/dbraw/zinc/15/63/41/265156341.db2.gz IQBNAIYEBPDEMP-RHSMWYFYSA-N 2 0 340.468 -0.294 20 0 EBADRP C[NH2+]CC1CC[NH+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000430931312 265157198 /nfs/dbraw/zinc/15/71/98/265157198.db2.gz ZHYWQFPWOPJIOD-UHFFFAOYSA-N 2 0 348.451 -0.245 20 0 EBADRP CC(C)NS(=O)(=O)CCNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433133755 265186327 /nfs/dbraw/zinc/18/63/27/265186327.db2.gz OZQCYRZGKPOMPM-UHFFFAOYSA-N 2 0 334.486 -0.366 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@]2(O)CC[NH+](C)C2)CCCO1 ZINC000433459348 265190487 /nfs/dbraw/zinc/19/04/87/265190487.db2.gz XNMKPZOUVGXZAT-ZBFHGGJFSA-N 2 0 328.457 -0.147 20 0 EBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000442601972 265325801 /nfs/dbraw/zinc/32/58/01/265325801.db2.gz UVMQUNGBCKHPBG-MRXNPFEDSA-N 2 0 327.473 -0.622 20 0 EBADRP C[N@@H+]1CC[C@](O)(CNC(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000442601968 265325899 /nfs/dbraw/zinc/32/58/99/265325899.db2.gz UVMQUNGBCKHPBG-INIZCTEOSA-N 2 0 327.473 -0.622 20 0 EBADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000442782483 265329932 /nfs/dbraw/zinc/32/99/32/265329932.db2.gz RLFCMXNZFKZPBZ-NWDGAFQWSA-N 2 0 334.424 -0.507 20 0 EBADRP C[NH+](C)CCOCC[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000447592672 265375849 /nfs/dbraw/zinc/37/58/49/265375849.db2.gz MZRRTEKEZMGEBL-UHFFFAOYSA-N 2 0 328.501 -0.049 20 0 EBADRP COC[C@]1(C(=O)OC)CC[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000448557216 265390879 /nfs/dbraw/zinc/39/08/79/265390879.db2.gz SXLSUYLYFMEQRG-WBMJQRKESA-N 2 0 341.408 -0.813 20 0 EBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)CC[C@H]21 ZINC000514930709 272884553 /nfs/dbraw/zinc/88/45/53/272884553.db2.gz PRKIPLBVYQALJV-ZJIFWQFVSA-N 2 0 334.464 -0.003 20 0 EBADRP CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000163273566 276161653 /nfs/dbraw/zinc/16/16/53/276161653.db2.gz SNCYZERWRMLIGV-UHFFFAOYSA-N 2 0 336.440 -0.063 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339636832 277222572 /nfs/dbraw/zinc/22/25/72/277222572.db2.gz QACWBKYYPNYACU-AWEZNQCLSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339637401 289141330 /nfs/dbraw/zinc/14/13/30/289141330.db2.gz ZUAOIYORDXLBHB-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCCOCC[NH+](C)C ZINC000360279408 289166931 /nfs/dbraw/zinc/16/69/31/289166931.db2.gz PAZYDLXRTRSEMV-AWEZNQCLSA-N 2 0 328.457 -0.519 20 0 EBADRP CCN(C(=O)C(=O)NC1CC[NH+](CCOC)CC1)[C@H]1CC[N@H+](C)C1 ZINC000668632802 545725618 /nfs/dbraw/zinc/72/56/18/545725618.db2.gz ABMFVGIWCUYZPT-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CC2)CCO1 ZINC000668658496 545728118 /nfs/dbraw/zinc/72/81/18/545728118.db2.gz NVBHHUXHAYMHOR-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP CCN(C(=O)C(=O)NC[C@H]1CCC[NH+]1CCOC)[C@H]1CC[N@H+](C)C1 ZINC000668788465 545759697 /nfs/dbraw/zinc/75/96/97/545759697.db2.gz ZVMXNTDHYYSVJL-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000668839744 545767994 /nfs/dbraw/zinc/76/79/94/545767994.db2.gz CNPYFVCFSVBMKX-KBPBESRZSA-N 2 0 340.468 -0.188 20 0 EBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH+](CCOC)C2)C1 ZINC000668841228 545770626 /nfs/dbraw/zinc/77/06/26/545770626.db2.gz HRNKUOSZQFQGJQ-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000668893860 545783821 /nfs/dbraw/zinc/78/38/21/545783821.db2.gz SKPQSKREYYRJEW-UONOGXRCSA-N 2 0 339.484 -0.663 20 0 EBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000342979013 545920628 /nfs/dbraw/zinc/92/06/28/545920628.db2.gz SBSBQWMVSVAQCY-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000342979010 545920803 /nfs/dbraw/zinc/92/08/03/545920803.db2.gz SBSBQWMVSVAQCY-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000672165305 545962173 /nfs/dbraw/zinc/96/21/73/545962173.db2.gz ALOVITADSOUXJK-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+](C)[C@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[C@@H]1O ZINC000666978282 546046651 /nfs/dbraw/zinc/04/66/51/546046651.db2.gz VYSQPCZTBKBWEF-KKUMJFAQSA-N 2 0 326.441 -0.444 20 0 EBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NC3CC[NH+](CCO)CC3)[C@@H]2C1 ZINC000672414112 546099357 /nfs/dbraw/zinc/09/93/57/546099357.db2.gz FGWJVPVECOHQHU-DZGCQCFKSA-N 2 0 338.452 -0.888 20 0 EBADRP C[C@@H](C[C@@H]1CCOC1)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000673218876 546135262 /nfs/dbraw/zinc/13/52/62/546135262.db2.gz IEIHJUMPHFPUSR-GJZGRUSLSA-N 2 0 342.484 -0.131 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCSC1 ZINC000673496878 546140835 /nfs/dbraw/zinc/14/08/35/546140835.db2.gz FWQTZHBYEXTJAH-ZDUSSCGKSA-N 2 0 330.498 -0.193 20 0 EBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)CC1=O ZINC000673511352 546141011 /nfs/dbraw/zinc/14/10/11/546141011.db2.gz POSDHDFLVVIJIQ-QLFBSQMISA-N 2 0 338.452 -0.936 20 0 EBADRP O=C(NCC[NH+]1CCC1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000677014796 546222620 /nfs/dbraw/zinc/22/26/20/546222620.db2.gz PDETYOQOYIPKKZ-OAHLLOKOSA-N 2 0 325.457 -0.602 20 0 EBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+]4CCN3CCC4)C2)CC1 ZINC000677887631 546240545 /nfs/dbraw/zinc/24/05/45/546240545.db2.gz DOSUESPQUXTIND-RDJZCZTQSA-N 2 0 335.496 -0.339 20 0 EBADRP C(=C/C[N@@H+]1CCN2CCOC[C@@H]2C1)\C[NH+]1CCN2CCOC[C@H]2C1 ZINC000680431085 546286667 /nfs/dbraw/zinc/28/66/67/546286667.db2.gz POWBFSMQTDWYCK-KVHJKKSTSA-N 2 0 336.480 -0.425 20 0 EBADRP C[NH+](C)CCOCCNC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000682614327 546337290 /nfs/dbraw/zinc/33/72/90/546337290.db2.gz QISOFORMEAJEKP-UHFFFAOYSA-N 2 0 329.489 -0.110 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCN2CCNC2=O)C[C@H]1C[NH+](C)C ZINC000891068218 582540831 /nfs/dbraw/zinc/54/08/31/582540831.db2.gz OCUXSHSLTQTFMN-ZIAGYGMSSA-N 2 0 340.472 -0.608 20 0 EBADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891450831 582556789 /nfs/dbraw/zinc/55/67/89/582556789.db2.gz JPCNZMQVPJTHGZ-DGAVXFQQSA-N 2 0 339.440 -0.097 20 0 EBADRP O=C(NCCC[NH2+]C1CC1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891968791 582564235 /nfs/dbraw/zinc/56/42/35/582564235.db2.gz XZOXLKBPMUQSNG-MCIONIFRSA-N 2 0 337.424 -0.295 20 0 EBADRP C[NH+]1CCC2(CCN(C(=O)NCC(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000891971592 582564653 /nfs/dbraw/zinc/56/46/53/582564653.db2.gz WSBVYLNDFJVXSC-UHFFFAOYSA-N 2 0 337.468 -0.064 20 0 EBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892095324 582567236 /nfs/dbraw/zinc/56/72/36/582567236.db2.gz WQUCUUKQJMGMQR-KSTCHIGDSA-N 2 0 337.424 -0.439 20 0 EBADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892109276 582567490 /nfs/dbraw/zinc/56/74/90/582567490.db2.gz ZXMWYHFGBQKHRN-TUAOUCFPSA-N 2 0 335.374 -0.032 20 0 EBADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)NC[C@@H]1C[NH2+]CCCO1 ZINC000892167130 582568285 /nfs/dbraw/zinc/56/82/85/582568285.db2.gz BVZDOYUNUABNHT-KGLIPLIRSA-N 2 0 326.441 -0.177 20 0 EBADRP O=C(N[C@H]1CC12CC[NH2+]CC2)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892267625 582572470 /nfs/dbraw/zinc/57/24/70/582572470.db2.gz NPUUDMCFCMEMME-MQYQWHSLSA-N 2 0 349.435 -0.295 20 0 EBADRP O=C(N[C@H]1CC12CC[NH2+]CC2)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892267624 582572556 /nfs/dbraw/zinc/57/25/56/582572556.db2.gz NPUUDMCFCMEMME-CRWXNKLISA-N 2 0 349.435 -0.295 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000892563549 582582575 /nfs/dbraw/zinc/58/25/75/582582575.db2.gz YIZWRNPRDAUHSF-OKILXGFUSA-N 2 0 325.457 -0.081 20 0 EBADRP Cn1nnnc1CCCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000893865075 582611404 /nfs/dbraw/zinc/61/14/04/582611404.db2.gz GMPVXIPHCVWEBV-UHFFFAOYSA-N 2 0 338.460 -0.532 20 0 EBADRP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898115872 582721049 /nfs/dbraw/zinc/72/10/49/582721049.db2.gz WQLUMCGPJNCNNN-INIZCTEOSA-N 2 0 336.480 -0.271 20 0 EBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000899131167 582745453 /nfs/dbraw/zinc/74/54/53/582745453.db2.gz NHALECKIWHKVTD-HNNXBMFYSA-N 2 0 338.452 -0.447 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000900496257 582770483 /nfs/dbraw/zinc/77/04/83/582770483.db2.gz HHCHBDIAMZMTCN-JKIFEVAISA-N 2 0 340.468 -0.500 20 0 EBADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000900512879 582771125 /nfs/dbraw/zinc/77/11/25/582771125.db2.gz PKHLHCROHRBKHG-ZENOOKHLSA-N 2 0 326.441 -0.855 20 0 EBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000900512877 582771250 /nfs/dbraw/zinc/77/12/50/582771250.db2.gz PKHLHCROHRBKHG-XJKCOSOUSA-N 2 0 326.441 -0.855 20 0 EBADRP C[C@@H]1C[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C[C@H]1CC[NH3+] ZINC000903496881 582809791 /nfs/dbraw/zinc/80/97/91/582809791.db2.gz IPTMDIZUBZVDOP-CHWSQXEVSA-N 2 0 334.486 -0.699 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC000903586724 582812318 /nfs/dbraw/zinc/81/23/18/582812318.db2.gz VSPLFQFIRKBTGI-HUUCEWRRSA-N 2 0 330.498 -0.233 20 0 EBADRP CCOCCN1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000903719678 582814396 /nfs/dbraw/zinc/81/43/96/582814396.db2.gz SJDHUEKJYAEWFR-ZDUSSCGKSA-N 2 0 326.441 -0.637 20 0 EBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903741553 582816779 /nfs/dbraw/zinc/81/67/79/582816779.db2.gz GOPTWKFFWUVZDZ-AWEZNQCLSA-N 2 0 339.484 -0.722 20 0 EBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000903741555 582816786 /nfs/dbraw/zinc/81/67/86/582816786.db2.gz GPZRDHYDCDLSCS-AWEZNQCLSA-N 2 0 340.468 -0.249 20 0 EBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818846 582821820 /nfs/dbraw/zinc/82/18/20/582821820.db2.gz WVKUZQVTUSWTLL-UHFFFAOYSA-N 2 0 327.425 -0.148 20 0 EBADRP C[NH+](C)CCNC(=O)C1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000750533166 583136760 /nfs/dbraw/zinc/13/67/60/583136760.db2.gz XZLJTCLZXMEXRF-MRXNPFEDSA-N 2 0 326.485 -0.167 20 0 EBADRP C[C@H](Cn1ccnc1)NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000789751704 583538709 /nfs/dbraw/zinc/53/87/09/583538709.db2.gz DRMVECVAYAOSGS-RDBSUJKOSA-N 2 0 335.408 -0.633 20 0 EBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000793797167 583570018 /nfs/dbraw/zinc/57/00/18/583570018.db2.gz YSHQCGHIOVIWPC-RRFJBIMHSA-N 2 0 340.468 -0.188 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000803180006 583628178 /nfs/dbraw/zinc/62/81/78/583628178.db2.gz QUZRWEDUERQBOX-NWANDNLSSA-N 2 0 336.436 -0.681 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)C1CC1 ZINC000804055046 583638459 /nfs/dbraw/zinc/63/84/59/583638459.db2.gz CVRXTPSAGQRTFI-LSDHHAIUSA-N 2 0 338.452 -0.434 20 0 EBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000804057058 583639532 /nfs/dbraw/zinc/63/95/32/583639532.db2.gz NBTYKEZWBDTUKY-GJZGRUSLSA-N 2 0 338.452 -0.480 20 0 EBADRP CN1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000823300703 583827580 /nfs/dbraw/zinc/82/75/80/583827580.db2.gz SEFIKBZHPUFZRG-JTQLQIEISA-N 2 0 332.364 -0.630 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC000825387884 583860254 /nfs/dbraw/zinc/86/02/54/583860254.db2.gz VUOJPTFJJDRKDD-HNNXBMFYSA-N 2 0 338.452 -0.478 20 0 EBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000826862818 583911607 /nfs/dbraw/zinc/91/16/07/583911607.db2.gz HQBITVQSRURTAW-CQSZACIVSA-N 2 0 341.456 -0.530 20 0 EBADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000829764786 583957963 /nfs/dbraw/zinc/95/79/63/583957963.db2.gz XMYXGQCZLQMYPY-CYBMUJFWSA-N 2 0 348.451 -0.808 20 0 EBADRP C[C@]1(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CCC[NH2+]C1 ZINC000842163958 584058730 /nfs/dbraw/zinc/05/87/30/584058730.db2.gz CRXMIPTXOXYTBX-VBQJREDUSA-N 2 0 338.452 -0.528 20 0 EBADRP CCCN(C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1CC[NH2+]C1 ZINC000842165366 584058923 /nfs/dbraw/zinc/05/89/23/584058923.db2.gz VHRSCBZLOFXWMT-RBSFLKMASA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000842176233 584059626 /nfs/dbraw/zinc/05/96/26/584059626.db2.gz LFZVIPBBXUYYIP-KLHDSHLOSA-N 2 0 340.468 -0.054 20 0 EBADRP [NH3+]CCCCCCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000843259190 584074247 /nfs/dbraw/zinc/07/42/47/584074247.db2.gz LNVGOMVISUWMAW-KBPBESRZSA-N 2 0 326.441 -0.399 20 0 EBADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000843358111 584076744 /nfs/dbraw/zinc/07/67/44/584076744.db2.gz BWZYLXARQMAWRK-LLVKDONJSA-N 2 0 336.358 -0.097 20 0 EBADRP [NH3+]CCNC(=O)c1ccccc1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000843471700 584079388 /nfs/dbraw/zinc/07/93/88/584079388.db2.gz LKHOCWHMEVKNJJ-CQSZACIVSA-N 2 0 347.419 -0.428 20 0 EBADRP [NH3+]CCNC(=O)c1ccccc1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000843471274 584079446 /nfs/dbraw/zinc/07/94/46/584079446.db2.gz BOYCGHSGRPVOPK-ZDUSSCGKSA-N 2 0 333.392 -0.818 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861644535 584332578 /nfs/dbraw/zinc/33/25/78/584332578.db2.gz JXJZARUVGLSYFK-BJJPWKGXSA-N 2 0 335.408 -0.829 20 0 EBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000861746774 584336927 /nfs/dbraw/zinc/33/69/27/584336927.db2.gz KJFGGYKGDVMGKH-CYBMUJFWSA-N 2 0 348.451 -0.745 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000861773272 584338460 /nfs/dbraw/zinc/33/84/60/584338460.db2.gz KNDHMKHTMUIENZ-KBPBESRZSA-N 2 0 327.473 -0.818 20 0 EBADRP CNC(=O)NC(=O)CC[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549789 584372840 /nfs/dbraw/zinc/37/28/40/584372840.db2.gz REKDCBCFWRLGFL-NEPJUHHUSA-N 2 0 339.396 -0.911 20 0 EBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000863754305 584376567 /nfs/dbraw/zinc/37/65/67/584376567.db2.gz PZCLMTCZEUXZFP-CQSZACIVSA-N 2 0 340.468 -0.247 20 0 EBADRP CN(CC1C[NH+](C)C1)C(=O)C(F)(F)C(=O)N(C)CC1C[NH+](C)C1 ZINC000866020895 584398016 /nfs/dbraw/zinc/39/80/16/584398016.db2.gz RFLNUIBHFQYWDG-UHFFFAOYSA-N 2 0 332.395 -0.338 20 0 EBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000866712813 584404175 /nfs/dbraw/zinc/40/41/75/584404175.db2.gz YANJTKHJCUKLJB-RBGFHDKUSA-N 2 0 336.436 -0.284 20 0 EBADRP C[C@@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867589798 584411756 /nfs/dbraw/zinc/41/17/56/584411756.db2.gz JWQPUSPLQMSIIW-BFHYXJOUSA-N 2 0 348.513 -0.536 20 0 EBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000868385080 584426813 /nfs/dbraw/zinc/42/68/13/584426813.db2.gz JMRYJCFAVYDZMO-AWEZNQCLSA-N 2 0 337.468 -0.955 20 0 EBADRP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000869462729 584439869 /nfs/dbraw/zinc/43/98/69/584439869.db2.gz XLZVZQSWLNNMNT-OLZOCXBDSA-N 2 0 344.456 -0.376 20 0 EBADRP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000869505412 584440251 /nfs/dbraw/zinc/44/02/51/584440251.db2.gz XLZVZQSWLNNMNT-STQMWFEESA-N 2 0 344.456 -0.376 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1C[NH+](C)C ZINC000870024892 584442926 /nfs/dbraw/zinc/44/29/26/584442926.db2.gz WDDFNSGMMZNUDB-ZIAGYGMSSA-N 2 0 338.452 -0.277 20 0 EBADRP C[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)N1C(=O)CCC1=O ZINC000870024315 584442972 /nfs/dbraw/zinc/44/29/72/584442972.db2.gz YHWMGLYNZQHXHA-BFHYXJOUSA-N 2 0 338.452 -0.278 20 0 EBADRP CC1(OCC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)C[NH2+]C1 ZINC000872254376 584460653 /nfs/dbraw/zinc/46/06/53/584460653.db2.gz BAHACYVDADUEOQ-OLZOCXBDSA-N 2 0 338.408 -0.852 20 0 EBADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872300371 584461362 /nfs/dbraw/zinc/46/13/62/584461362.db2.gz BNMIMFWRTLJLBT-QUUVSIMASA-N 2 0 334.420 -0.064 20 0 EBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000872302518 584461506 /nfs/dbraw/zinc/46/15/06/584461506.db2.gz BXWVQPJWBDPIOL-QCPCCJPKSA-N 2 0 338.408 -0.853 20 0 EBADRP CN1CCn2nc(NC(=O)C(=O)N3CC[C@@H]4[C@@H]3CCC[N@@H+]4C)cc2C1 ZINC000874368606 584481790 /nfs/dbraw/zinc/48/17/90/584481790.db2.gz DMEMYOWFAVVTPD-KGLIPLIRSA-N 2 0 346.435 -0.038 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCCn2cccc2)C[C@H]1C[NH+](C)C ZINC000875273103 584496067 /nfs/dbraw/zinc/49/60/67/584496067.db2.gz NGYJXKNEIOANLU-HZPDHXFCSA-N 2 0 349.479 -0.198 20 0 EBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000875292585 584496525 /nfs/dbraw/zinc/49/65/25/584496525.db2.gz MDFTVRLCKRPBIO-JKSUJKDBSA-N 2 0 340.468 -0.004 20 0 EBADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000875617890 584503809 /nfs/dbraw/zinc/50/38/09/584503809.db2.gz BJKOCZSDYFTQED-AWEZNQCLSA-N 2 0 328.457 -0.147 20 0 EBADRP CCON(C)C(=O)CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875698626 584504890 /nfs/dbraw/zinc/50/48/90/584504890.db2.gz VDEWNGKSNPUPPP-ZIAGYGMSSA-N 2 0 343.472 -0.223 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@]2(COC)C[NH2+]CCO2)C1 ZINC000876775617 584523513 /nfs/dbraw/zinc/52/35/13/584523513.db2.gz ZXILZQVBVOKELC-WBVHZDCISA-N 2 0 343.468 -0.049 20 0 EBADRP COC[C@@]1(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C[NH2+]CCO1 ZINC000876783852 584523958 /nfs/dbraw/zinc/52/39/58/584523958.db2.gz PAHVFCCCHXCQIU-NVXWUHKLSA-N 2 0 340.468 -0.770 20 0 EBADRP O=C([C@@H](F)[C@@H]1CC[NH2+]C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000876995091 584527738 /nfs/dbraw/zinc/52/77/38/584527738.db2.gz AFVGBWQZHHEIRA-OLZOCXBDSA-N 2 0 327.404 -0.897 20 0 EBADRP COC[C@@]1(C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)C[NH2+]CCO1 ZINC000877115672 584529162 /nfs/dbraw/zinc/52/91/62/584529162.db2.gz KWPPOSLRPGFBPK-NVXWUHKLSA-N 2 0 341.452 -0.392 20 0 EBADRP COCCC1(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[NH2+]CC1 ZINC000877267844 584531166 /nfs/dbraw/zinc/53/11/66/584531166.db2.gz HCVZTTZVZLNXMU-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP COC(=O)[C@]12C[N@H+](CC(=O)NC3CC[NH+](C)CC3)C[C@H]1COCC2 ZINC000878541516 584541792 /nfs/dbraw/zinc/54/17/92/584541792.db2.gz QNGYEQZQJDFJFD-SUMWQHHRSA-N 2 0 339.436 -0.292 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC[NH2+]1 ZINC000883639053 584604007 /nfs/dbraw/zinc/60/40/07/584604007.db2.gz FAMWJGBLHVVEAU-KBPBESRZSA-N 2 0 331.420 -0.061 20 0 EBADRP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000884285503 584620786 /nfs/dbraw/zinc/62/07/86/584620786.db2.gz LYPCHGOKBKDTOW-INIZCTEOSA-N 2 0 344.463 -0.389 20 0 EBADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884413661 584623024 /nfs/dbraw/zinc/62/30/24/584623024.db2.gz ZKODDAWGSOEOLR-INIZCTEOSA-N 2 0 344.463 -0.389 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000884516425 584625234 /nfs/dbraw/zinc/62/52/34/584625234.db2.gz KHXAATNYCUKQGC-OLZOCXBDSA-N 2 0 325.457 -0.923 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884562694 584627641 /nfs/dbraw/zinc/62/76/41/584627641.db2.gz IAOHZDDMSNMOKH-ZDUSSCGKSA-N 2 0 328.457 -0.425 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000884562625 584627729 /nfs/dbraw/zinc/62/77/29/584627729.db2.gz GCKRXCPRSUCKGZ-KRWDZBQOSA-N 2 0 342.484 -0.096 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000884587919 584628942 /nfs/dbraw/zinc/62/89/42/584628942.db2.gz UHVOFOYFBSCOBF-CQSZACIVSA-N 2 0 328.457 -0.199 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000884587918 584629020 /nfs/dbraw/zinc/62/90/20/584629020.db2.gz UHVOFOYFBSCOBF-AWEZNQCLSA-N 2 0 328.457 -0.199 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C[C@H]1C[NH3+] ZINC000884597900 584629046 /nfs/dbraw/zinc/62/90/46/584629046.db2.gz NMTMLTSYUFVNLS-ZIAGYGMSSA-N 2 0 326.441 -0.732 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000884601151 584629175 /nfs/dbraw/zinc/62/91/75/584629175.db2.gz CHVGNXQRMKZFHL-LLVKDONJSA-N 2 0 332.395 -0.052 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CCSC1 ZINC000884612647 584629838 /nfs/dbraw/zinc/62/98/38/584629838.db2.gz QOFLETHSAMIAEW-WWGRRREGSA-N 2 0 340.493 -0.107 20 0 EBADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000884723838 584635990 /nfs/dbraw/zinc/63/59/90/584635990.db2.gz AYTMPHRYSRSYGG-UUCFBXCCSA-N 2 0 340.468 -0.140 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000884812438 584638311 /nfs/dbraw/zinc/63/83/11/584638311.db2.gz PZQWRGVVTPSJNF-CQSZACIVSA-N 2 0 349.435 -0.529 20 0 EBADRP CC1([NH+]2CCCC2)CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000884816228 584638913 /nfs/dbraw/zinc/63/89/13/584638913.db2.gz WKVQNWYOUNYDAR-CQSZACIVSA-N 2 0 338.452 -0.432 20 0 EBADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000884986129 584642288 /nfs/dbraw/zinc/64/22/88/584642288.db2.gz IVOKOFRWBBMIHR-UUCFBXCCSA-N 2 0 340.468 -0.058 20 0 EBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000885202635 584645715 /nfs/dbraw/zinc/64/57/15/584645715.db2.gz CXEVBHHDPKOIOT-UHFFFAOYSA-N 2 0 328.457 -0.465 20 0 EBADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000887091197 584676438 /nfs/dbraw/zinc/67/64/38/584676438.db2.gz DATGSYBNMAAQJY-KFWWJZLASA-N 2 0 343.431 -0.204 20 0 EBADRP COCC[N@H+](C)C[C@@H](O)Cn1cc(CN2CCC[C@H]([NH3+])C2)nn1 ZINC000887451419 584678267 /nfs/dbraw/zinc/67/82/67/584678267.db2.gz MVCKSSKGFWNXHY-DZGCQCFKSA-N 2 0 326.445 -0.860 20 0 EBADRP C[C@@H](CNC(=S)NCC[NH+](C)C)NC(=S)NCC[NH+](C)C ZINC000047805846 649948348 /nfs/dbraw/zinc/94/83/48/649948348.db2.gz DRNVCJBMHYYGJK-NSHDSACASA-N 2 0 334.559 -0.574 20 0 EBADRP O=C(C[NH2+]C[C@H]1CCCO1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262106842 649985859 /nfs/dbraw/zinc/98/58/59/649985859.db2.gz VITLOQFUNCGQGM-VXGBXAGGSA-N 2 0 338.374 -0.293 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000419538459 650009396 /nfs/dbraw/zinc/00/93/96/650009396.db2.gz OSFGVVNNOVDOPC-WMLDXEAASA-N 2 0 338.452 -0.432 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000419538458 650009426 /nfs/dbraw/zinc/00/94/26/650009426.db2.gz OSFGVVNNOVDOPC-RHSMWYFYSA-N 2 0 338.452 -0.432 20 0 EBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000446269705 650011115 /nfs/dbraw/zinc/01/11/15/650011115.db2.gz BBYARYPUZOYLSR-LLVKDONJSA-N 2 0 334.424 -0.627 20 0 EBADRP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000904986963 650055622 /nfs/dbraw/zinc/05/56/22/650055622.db2.gz MMOQNSVTHMVYLC-LXTVHRRPSA-N 2 0 336.436 -0.993 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000904993461 650057027 /nfs/dbraw/zinc/05/70/27/650057027.db2.gz GZMJYAVFWLUGCQ-RRFJBIMHSA-N 2 0 338.452 -0.624 20 0 EBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2COC)C1 ZINC000905015730 650059887 /nfs/dbraw/zinc/05/98/87/650059887.db2.gz QICUQMVSXAIBAU-KGLIPLIRSA-N 2 0 326.441 -0.624 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000905024789 650060716 /nfs/dbraw/zinc/06/07/16/650060716.db2.gz XPGFGTQXMBNBCA-ZDUSSCGKSA-N 2 0 328.457 -0.521 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000905023030 650060728 /nfs/dbraw/zinc/06/07/28/650060728.db2.gz SRFZMORHGRZVED-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2COC)CC1 ZINC000905021457 650061146 /nfs/dbraw/zinc/06/11/46/650061146.db2.gz LKFDZUTUYJCCGF-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@H](O)C3(O)CCOCC3)C2)CC1 ZINC000905111241 650061730 /nfs/dbraw/zinc/06/17/30/650061730.db2.gz VBZOGUHUJAXMDJ-ZBFHGGJFSA-N 2 0 327.469 -0.353 20 0 EBADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000905110734 650062136 /nfs/dbraw/zinc/06/21/36/650062136.db2.gz NYOPHZDCWYEKHW-JKSUJKDBSA-N 2 0 329.485 -0.248 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000905475160 650063757 /nfs/dbraw/zinc/06/37/57/650063757.db2.gz SBONHLIHMDZNBZ-DLBZAZTESA-N 2 0 325.428 -0.073 20 0 EBADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907458165 650083815 /nfs/dbraw/zinc/08/38/15/650083815.db2.gz ZEOBUHDAZZEDPD-HNNXBMFYSA-N 2 0 325.501 -0.378 20 0 EBADRP CC(C)[NH+]1CCN(CCC(=O)NCC[NH+]2CCC(O)CC2)CC1 ZINC000909272521 650104934 /nfs/dbraw/zinc/10/49/34/650104934.db2.gz JJJDTSCIZRDQAE-UHFFFAOYSA-N 2 0 326.485 -0.025 20 0 EBADRP C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)CC1 ZINC000910955359 650142236 /nfs/dbraw/zinc/14/22/36/650142236.db2.gz CWMGOEZJLIJDCC-QWRGUYRKSA-N 2 0 336.358 -0.065 20 0 EBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[NH2+]C[C@H]1CCOC ZINC000910980131 650143166 /nfs/dbraw/zinc/14/31/66/650143166.db2.gz YTKBTEDERCWION-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CCCO1 ZINC000910984909 650143692 /nfs/dbraw/zinc/14/36/92/650143692.db2.gz QGVLSNALJZQFKH-HUUCEWRRSA-N 2 0 340.468 -0.199 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000910985217 650143846 /nfs/dbraw/zinc/14/38/46/650143846.db2.gz UHSSAZSZDGROJT-ILXRZTDVSA-N 2 0 340.468 -0.425 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)C1 ZINC000910990900 650144258 /nfs/dbraw/zinc/14/42/58/650144258.db2.gz FGAMAUXXADMBLV-KGLIPLIRSA-N 2 0 340.468 -0.426 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000910990217 650144337 /nfs/dbraw/zinc/14/43/37/650144337.db2.gz ASSTYKGYIFTWLF-ILXRZTDVSA-N 2 0 340.468 -0.297 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000911009504 650145169 /nfs/dbraw/zinc/14/51/69/650145169.db2.gz SBUMEVSXGMKBFM-BFHYXJOUSA-N 2 0 326.441 -0.578 20 0 EBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000911013974 650145646 /nfs/dbraw/zinc/14/56/46/650145646.db2.gz GMJXCQYCXBZKBF-BBRMVZONSA-N 2 0 326.441 -0.853 20 0 EBADRP CN(C(=O)C(=O)NCCC[NH+]1CCCCC1)C1(C[NH3+])CCOCC1 ZINC000911022972 650146077 /nfs/dbraw/zinc/14/60/77/650146077.db2.gz QPCZYEGRPHWVSG-UHFFFAOYSA-N 2 0 340.468 -0.055 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000911076530 650149350 /nfs/dbraw/zinc/14/93/50/650149350.db2.gz ADGYVLTVVRVIQX-RBSFLKMASA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000911080413 650149826 /nfs/dbraw/zinc/14/98/26/650149826.db2.gz RHQZFAQVHDGLKH-IOASZLSFSA-N 2 0 326.441 -0.712 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000911095539 650150489 /nfs/dbraw/zinc/15/04/89/650150489.db2.gz BYLOQUYXJLZXQI-KGLIPLIRSA-N 2 0 339.484 -0.900 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000911099338 650151158 /nfs/dbraw/zinc/15/11/58/650151158.db2.gz LOUNVXQCXJYSGI-AWEZNQCLSA-N 2 0 339.484 -0.676 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000911103566 650151577 /nfs/dbraw/zinc/15/15/77/650151577.db2.gz ZTPVMVSESYGTLC-CZUORRHYSA-N 2 0 348.447 -0.033 20 0 EBADRP C[NH2+]CCN(C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(C)C ZINC000911147797 650154420 /nfs/dbraw/zinc/15/44/20/650154420.db2.gz JOCAAHGOTCOHFO-KBPBESRZSA-N 2 0 326.441 -0.578 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911149586 650154777 /nfs/dbraw/zinc/15/47/77/650154777.db2.gz YAWHPWMEPZXEBU-GBJTYRQASA-N 2 0 336.436 -0.966 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC[C@@H]1C[NH3+] ZINC000911148895 650154843 /nfs/dbraw/zinc/15/48/43/650154843.db2.gz SOUAKTLUZCIIAX-APIJFGDWSA-N 2 0 338.452 -0.591 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000911162430 650156435 /nfs/dbraw/zinc/15/64/35/650156435.db2.gz RISJUBAOAMQMDN-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC000911177470 650157131 /nfs/dbraw/zinc/15/71/31/650157131.db2.gz SENOBURFJJRFKO-YOEHRIQHSA-N 2 0 340.468 -0.199 20 0 EBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911188850 650157729 /nfs/dbraw/zinc/15/77/29/650157729.db2.gz ZRZCOPPKJTVADK-KRWDZBQOSA-N 2 0 338.452 -0.431 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1CCOC)C1CC1 ZINC000911186727 650157793 /nfs/dbraw/zinc/15/77/93/650157793.db2.gz LLNYFDQRNWDAER-CQSZACIVSA-N 2 0 326.441 -0.576 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000911187918 650157875 /nfs/dbraw/zinc/15/78/75/650157875.db2.gz VPIUHKUZTOHCNO-AWEZNQCLSA-N 2 0 339.484 -0.756 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000911195529 650158495 /nfs/dbraw/zinc/15/84/95/650158495.db2.gz UNITVZCQEGUYEQ-QLFBSQMISA-N 2 0 338.452 -0.387 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CCSC1 ZINC000911201010 650158993 /nfs/dbraw/zinc/15/89/93/650158993.db2.gz VCERFFAEQZZFQV-IAQYHMDHSA-N 2 0 328.482 -0.346 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000911206132 650159561 /nfs/dbraw/zinc/15/95/61/650159561.db2.gz PNVHUNVSZXGFBH-OCCSQVGLSA-N 2 0 326.441 -0.578 20 0 EBADRP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000911258952 650164047 /nfs/dbraw/zinc/16/40/47/650164047.db2.gz UVYDDTKLVAWFKS-QGZVFWFLSA-N 2 0 338.452 -0.711 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000911268277 650164690 /nfs/dbraw/zinc/16/46/90/650164690.db2.gz CHKPTMWESQYLST-KBPBESRZSA-N 2 0 326.441 -0.719 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000911270140 650165143 /nfs/dbraw/zinc/16/51/43/650165143.db2.gz TYBWHWLSKROERT-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911282887 650166139 /nfs/dbraw/zinc/16/61/39/650166139.db2.gz DKCNAODVNBSCHQ-LSDHHAIUSA-N 2 0 340.468 -0.452 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000911298187 650167656 /nfs/dbraw/zinc/16/76/56/650167656.db2.gz SPBHAUWFWCNCMT-APNQJHFZSA-N 2 0 338.452 -0.374 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911307622 650169303 /nfs/dbraw/zinc/16/93/03/650169303.db2.gz WWTLSFPAQLQFIS-MCIONIFRSA-N 2 0 326.441 -0.842 20 0 EBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000911309573 650169777 /nfs/dbraw/zinc/16/97/77/650169777.db2.gz GJYOLFXAUDVOGO-LXTVHRRPSA-N 2 0 338.452 -0.712 20 0 EBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911335746 650171821 /nfs/dbraw/zinc/17/18/21/650171821.db2.gz DYCTZWAHESISRU-RBSFLKMASA-N 2 0 340.468 -0.466 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1)C[NH+](C)C ZINC000911359735 650174740 /nfs/dbraw/zinc/17/47/40/650174740.db2.gz WDISEYBVBIUQIS-ZIAGYGMSSA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000911367896 650175606 /nfs/dbraw/zinc/17/56/06/650175606.db2.gz SVAQDOWVZLIAJD-VNHYZAJKSA-N 2 0 331.420 -0.157 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911369773 650175657 /nfs/dbraw/zinc/17/56/57/650175657.db2.gz CIHJNNXYJQHZAM-CHWSQXEVSA-N 2 0 347.419 -0.537 20 0 EBADRP CN(C)Cc1csc(CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)n1 ZINC000911403688 650178650 /nfs/dbraw/zinc/17/86/50/650178650.db2.gz GEGNMERQLJOAJV-GHMZBOCLSA-N 2 0 343.428 -0.281 20 0 EBADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000911402377 650178789 /nfs/dbraw/zinc/17/87/89/650178789.db2.gz FYLXNZRZOYCZLF-QGZVFWFLSA-N 2 0 331.420 -0.024 20 0 EBADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN3CCSC[C@H]23)C1 ZINC000911419368 650181708 /nfs/dbraw/zinc/18/17/08/650181708.db2.gz MSWXQJNOWICGQL-MELADBBJSA-N 2 0 340.493 -0.250 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)C[NH+](C)C ZINC000911433030 650183070 /nfs/dbraw/zinc/18/30/70/650183070.db2.gz AUIQZZSWDSVBGB-IOASZLSFSA-N 2 0 326.441 -0.591 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1)C[NH+](C)C ZINC000911432984 650183097 /nfs/dbraw/zinc/18/30/97/650183097.db2.gz AEUBRABHPJEQTG-MGPQQGTHSA-N 2 0 328.457 -0.487 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)C[NH+](C)C ZINC000911433078 650183100 /nfs/dbraw/zinc/18/31/00/650183100.db2.gz BGXJMJMUZUNGHW-XJKSGUPXSA-N 2 0 326.441 -0.576 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2)C[NH+](C)C ZINC000911433913 650183420 /nfs/dbraw/zinc/18/34/20/650183420.db2.gz DZSWOACICFJURN-WMLDXEAASA-N 2 0 340.468 -0.186 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+])C[NH+](C)C ZINC000911433993 650183579 /nfs/dbraw/zinc/18/35/79/650183579.db2.gz GTKWVZCREDTQOR-MGPQQGTHSA-N 2 0 328.457 -0.202 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+])C[NH+](C)C ZINC000911435427 650184013 /nfs/dbraw/zinc/18/40/13/650184013.db2.gz MPFNMQFHXBDIOA-WOSRLPQWSA-N 2 0 326.441 -0.591 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911486176 650188029 /nfs/dbraw/zinc/18/80/29/650188029.db2.gz QBLLHISFNSYCPD-ILXRZTDVSA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000911490363 650188221 /nfs/dbraw/zinc/18/82/21/650188221.db2.gz RTZANORCTZEOLH-ILXRZTDVSA-N 2 0 340.468 -0.201 20 0 EBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911533808 650190995 /nfs/dbraw/zinc/19/09/95/650190995.db2.gz LLYBKDRZXVJVTF-IHRRRGAJSA-N 2 0 338.452 -0.842 20 0 EBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000911537183 650191696 /nfs/dbraw/zinc/19/16/96/650191696.db2.gz GFELPEABIHPBHI-NWANDNLSSA-N 2 0 338.452 -0.435 20 0 EBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H]3C[C@H](C[NH3+])C3)CC2)C1 ZINC000911556282 650193629 /nfs/dbraw/zinc/19/36/29/650193629.db2.gz GYNIFEDRARWZFX-RBSFLKMASA-N 2 0 337.468 -0.922 20 0 EBADRP C[NH+]1CCC2(CC1)NC(=O)N(CN1CC[NH+](CC3CC3)CC1)C2=O ZINC000917479011 650283401 /nfs/dbraw/zinc/28/34/01/650283401.db2.gz BFIYTNJZHHQOMM-UHFFFAOYSA-N 2 0 335.452 -0.012 20 0 EBADRP C[N@@H+]1CC[C@H]1CNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000919072175 650295046 /nfs/dbraw/zinc/29/50/46/650295046.db2.gz NUCDLOVCDDFEHZ-GJZGRUSLSA-N 2 0 325.457 -0.604 20 0 EBADRP CN(C[C@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1)S(C)(=O)=O ZINC000923375784 650338893 /nfs/dbraw/zinc/33/88/93/650338893.db2.gz FCURJYISKJWJLE-KGLIPLIRSA-N 2 0 331.482 -0.032 20 0 EBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000923374808 650339167 /nfs/dbraw/zinc/33/91/67/650339167.db2.gz CQBHDKLRKPMGLR-CABCVRRESA-N 2 0 326.445 -0.687 20 0 EBADRP COC[C@H](C)OC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000923429466 650339921 /nfs/dbraw/zinc/33/99/21/650339921.db2.gz UXAOMWIHNHUCKM-HAFSJTIUSA-N 2 0 330.425 -0.389 20 0 EBADRP O=C1c2ccccc2C(=O)N1CCOCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923459970 650341249 /nfs/dbraw/zinc/34/12/49/650341249.db2.gz INOXZXOUCIKSJW-UHFFFAOYSA-N 2 0 346.431 -0.206 20 0 EBADRP COC(=O)CN(C)C(=O)CC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923452594 650341283 /nfs/dbraw/zinc/34/12/83/650341283.db2.gz VQEUIORENCPSLI-CYBMUJFWSA-N 2 0 327.425 -0.162 20 0 EBADRP C[NH+]1CCN(C[C@@H]2CN(S(=O)(=O)[C@@H]3CCC[NH2+]C3)CCO2)CC1 ZINC000923608169 650347679 /nfs/dbraw/zinc/34/76/79/650347679.db2.gz OECFDRUOTMWSKT-HUUCEWRRSA-N 2 0 346.497 -0.984 20 0 EBADRP O=S(=O)(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[NH2+]CC1 ZINC000923615284 650348283 /nfs/dbraw/zinc/34/82/83/650348283.db2.gz YESMEPISJAFKKL-AWEZNQCLSA-N 2 0 332.470 -0.631 20 0 EBADRP O=S(=O)(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000923639843 650349816 /nfs/dbraw/zinc/34/98/16/650349816.db2.gz VGEZGLGVMFICEM-QWRGUYRKSA-N 2 0 344.403 -0.506 20 0 EBADRP [NH3+][C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)C[C@H]1c1ccccc1F ZINC000923649488 650350583 /nfs/dbraw/zinc/35/05/83/650350583.db2.gz VAQBWUKAZMCTDI-GXTWGEPZSA-N 2 0 328.413 -0.298 20 0 EBADRP C[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000924026056 650359819 /nfs/dbraw/zinc/35/98/19/650359819.db2.gz UVOPBCUVLLWGDL-HZPDHXFCSA-N 2 0 339.484 -0.214 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000926335305 650387036 /nfs/dbraw/zinc/38/70/36/650387036.db2.gz XLXNTMSLDNKQKG-KGLIPLIRSA-N 2 0 328.457 -0.534 20 0 EBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000926351245 650388426 /nfs/dbraw/zinc/38/84/26/650388426.db2.gz HTFOTMLLBRMZPF-CJNGLKHVSA-N 2 0 326.441 -0.901 20 0 EBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000926349478 650388555 /nfs/dbraw/zinc/38/85/55/650388555.db2.gz HLYUQZZKNBHUKI-CPUCHLNUSA-N 2 0 338.452 -0.759 20 0 EBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926388760 650390774 /nfs/dbraw/zinc/39/07/74/650390774.db2.gz IPCUGJZPRUWZOI-INIZCTEOSA-N 2 0 326.441 -0.757 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926656996 651492777 /nfs/dbraw/zinc/49/27/77/651492777.db2.gz VZTUWQRWXOILSS-ILXRZTDVSA-N 2 0 328.457 -0.075 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)C[NH+](C)C ZINC000929748120 651563087 /nfs/dbraw/zinc/56/30/87/651563087.db2.gz NPGZXBGIMNIKQM-OCCSQVGLSA-N 2 0 326.441 -0.578 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)C[NH+](C)C ZINC000929991783 651574820 /nfs/dbraw/zinc/57/48/20/651574820.db2.gz JISZXTRKORZTQH-LSDHHAIUSA-N 2 0 340.468 -0.330 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)C1 ZINC000930008277 651577475 /nfs/dbraw/zinc/57/74/75/651577475.db2.gz BLOGQQZTOJGGSB-AWEZNQCLSA-N 2 0 342.484 -0.131 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)C[NH+](C)C ZINC000930653522 651606263 /nfs/dbraw/zinc/60/62/63/651606263.db2.gz VOYVYLVNXWWCDH-DZGCQCFKSA-N 2 0 340.468 -0.164 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H]1CC(=O)NC1=O ZINC000931396552 651630844 /nfs/dbraw/zinc/63/08/44/651630844.db2.gz AYSCERWBKLHUHU-ZIAGYGMSSA-N 2 0 338.452 -0.086 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCN(C3C[NH+](C[C@@H]4CCOC4)C3)CC2)C1 ZINC000941666206 652868424 /nfs/dbraw/zinc/86/84/24/652868424.db2.gz QMKHMSYCAASCAC-JKSUJKDBSA-N 2 0 336.480 -0.197 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CN(C(=O)CCc3ncc[nH]3)CCO2)C1 ZINC000944597174 652897687 /nfs/dbraw/zinc/89/76/87/652897687.db2.gz PNLADLACURNGLE-ZIAGYGMSSA-N 2 0 349.435 -0.362 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+]([C@H]4CCNC4=O)C[C@H]3CC2)C1 ZINC000946892612 653257460 /nfs/dbraw/zinc/25/74/60/653257460.db2.gz HKNJORHURDSXLI-QXSJWSMHSA-N 2 0 334.464 -0.003 20 0 EBADRP CC[C@@H](C(=O)N1CCC(O)(C[NH2+][C@H]2CCCNC2=O)CC1)[NH+](C)C ZINC000946927483 653274112 /nfs/dbraw/zinc/27/41/12/653274112.db2.gz JGVWEFGVNPIMOU-KBPBESRZSA-N 2 0 340.468 -0.452 20 0 EBADRP CC[C@H](C(=O)N1CCOC2(CC[NH+]([C@@H](C)C(N)=O)CC2)C1)[NH+](C)C ZINC000949124476 653804177 /nfs/dbraw/zinc/80/41/77/653804177.db2.gz ZWQBCBFCOKLHJM-UONOGXRCSA-N 2 0 340.468 -0.106 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCOC2(CC[NH+](CCO)CC2)C1 ZINC000949189577 653826600 /nfs/dbraw/zinc/82/66/00/653826600.db2.gz ZLBZALLUILRLIE-HUUCEWRRSA-N 2 0 325.453 -0.130 20 0 EBADRP C[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891403099 719424049 /nfs/dbraw/zinc/42/40/49/719424049.db2.gz HNLSWKFJBZTADG-SYQHCUMBSA-N 2 0 337.424 -0.343 20 0 EBADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000954315767 719663642 /nfs/dbraw/zinc/66/36/42/719663642.db2.gz JHLHPDYKQOYTGD-GDBMZVCRSA-N 2 0 334.464 -0.051 20 0 EBADRP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1C[N@H+](CCCO)C[C@H]1O ZINC000958346258 722349742 /nfs/dbraw/zinc/34/97/42/722349742.db2.gz XEURFDBSHNHTIU-UONOGXRCSA-N 2 0 325.409 -0.254 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2C[N@H+](CC3CC3)C[C@@H]2O)cn1 ZINC000958466808 722371316 /nfs/dbraw/zinc/37/13/16/722371316.db2.gz BBCPNIFMUMRZPG-ZBFHGGJFSA-N 2 0 335.452 -0.123 20 0 EBADRP Cn1nccc1CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958592200 722397515 /nfs/dbraw/zinc/39/75/15/722397515.db2.gz MSPSYSBAUNLGIG-HOCLYGCPSA-N 2 0 347.463 -0.533 20 0 EBADRP Cc1oncc1C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958592769 722397549 /nfs/dbraw/zinc/39/75/49/722397549.db2.gz VTNWXAUDVUHTLW-LSDHHAIUSA-N 2 0 334.420 -0.012 20 0 EBADRP CC[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC000958751835 722426696 /nfs/dbraw/zinc/42/66/96/722426696.db2.gz MDBQXTMYNCTFIO-KBXIAJHMSA-N 2 0 340.468 -0.549 20 0 EBADRP CC[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC000958757776 722427512 /nfs/dbraw/zinc/42/75/12/722427512.db2.gz MDBQXTMYNCTFIO-AJNGGQMLSA-N 2 0 340.468 -0.549 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCCC4)C[C@H]32)CC[N@@H+]1C ZINC000959966833 722778642 /nfs/dbraw/zinc/77/86/42/722778642.db2.gz NTMKQEKVSYGYPY-NPCUJANDSA-N 2 0 334.464 -0.005 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC000960577847 722840810 /nfs/dbraw/zinc/84/08/10/722840810.db2.gz KOVNSEFHLLPIIK-COMQUAJESA-N 2 0 349.435 -0.931 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC000960591684 722842268 /nfs/dbraw/zinc/84/22/68/722842268.db2.gz GEUYDNKNDOHAHD-OEUWWYETSA-N 2 0 348.447 -0.334 20 0 EBADRP C[N@H+](C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1)[C@@H]1CCC(=O)NC1=O ZINC000961031507 722889150 /nfs/dbraw/zinc/88/91/50/722889150.db2.gz YEJCLIGPXPZIMZ-UONOGXRCSA-N 2 0 336.436 -0.190 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001019033397 728777329 /nfs/dbraw/zinc/77/73/29/728777329.db2.gz MHIVHOODNOGONQ-NWDGAFQWSA-N 2 0 325.413 -0.931 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001019039202 728779128 /nfs/dbraw/zinc/77/91/28/728779128.db2.gz WOQTYNGHTGOACP-KBPBESRZSA-N 2 0 338.452 -0.576 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1O ZINC000961933651 723124017 /nfs/dbraw/zinc/12/40/17/723124017.db2.gz XCOSZOIQQULODX-KFWWJZLASA-N 2 0 338.452 -0.890 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC2CC(C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC000962308487 723223180 /nfs/dbraw/zinc/22/31/80/723223180.db2.gz FSXVYXPSSHYEIC-PNESKVBLSA-N 2 0 336.440 -0.565 20 0 EBADRP O=C(C[NH+]1CCCC1)NC1CC(C[NH2+]Cc2nnc3n2CCOC3)C1 ZINC000962711532 723310280 /nfs/dbraw/zinc/31/02/80/723310280.db2.gz SHIKRPVUUZAFAJ-UHFFFAOYSA-N 2 0 348.451 -0.112 20 0 EBADRP C[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001019325034 728859699 /nfs/dbraw/zinc/85/96/99/728859699.db2.gz GRXKBATWQNBUHO-HIFRSBDPSA-N 2 0 343.493 -0.047 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)[NH+](C)C ZINC001019394868 728878499 /nfs/dbraw/zinc/87/84/99/728878499.db2.gz PBOYCCSNUMTIBW-IHRRRGAJSA-N 2 0 331.482 -0.048 20 0 EBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC000968714860 725108708 /nfs/dbraw/zinc/10/87/08/725108708.db2.gz VLHIUXZRMBWCDJ-FMKPAKJESA-N 2 0 338.452 -0.591 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)n1 ZINC000968719331 725109426 /nfs/dbraw/zinc/10/94/26/725109426.db2.gz QSWMHSLUIAKHPD-ZIAGYGMSSA-N 2 0 348.451 -0.473 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC000968737631 725111326 /nfs/dbraw/zinc/11/13/26/725111326.db2.gz CTZKVGHVSWLYPX-QLFBSQMISA-N 2 0 337.468 -0.068 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC000969077230 725148635 /nfs/dbraw/zinc/14/86/35/725148635.db2.gz MHIVHOODNOGONQ-VXGBXAGGSA-N 2 0 325.413 -0.931 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC000969098345 725151398 /nfs/dbraw/zinc/15/13/98/725151398.db2.gz VFXUYGUIJQKQCG-ZIAGYGMSSA-N 2 0 336.436 -0.190 20 0 EBADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](CCN2CCNC2=O)C1 ZINC000969698586 725203938 /nfs/dbraw/zinc/20/39/38/725203938.db2.gz DYMJIDICTCFEAD-UMVBOHGHSA-N 2 0 337.468 -0.212 20 0 EBADRP C[NH+]1CCC(CC(=O)N2CC[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC000970178673 725259267 /nfs/dbraw/zinc/25/92/67/725259267.db2.gz XHXOWFBVEYRECJ-ZIAGYGMSSA-N 2 0 336.436 -0.286 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000970637006 725308226 /nfs/dbraw/zinc/30/82/26/725308226.db2.gz XLSQDMTYDMJWRY-KFWWJZLASA-N 2 0 338.452 -0.746 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC000970727576 725320586 /nfs/dbraw/zinc/32/05/86/725320586.db2.gz KCQCHQWEWKNNIV-UONOGXRCSA-N 2 0 336.440 -0.526 20 0 EBADRP C[NH+]([C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)[C@H]1CCC(=O)NC1=O ZINC000971687087 725430470 /nfs/dbraw/zinc/43/04/70/725430470.db2.gz IUCKCIURUJBTGN-KBPBESRZSA-N 2 0 336.436 -0.191 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCN2CCNC2=O)C1)[NH+](C)C ZINC000971779490 725436690 /nfs/dbraw/zinc/43/66/90/725436690.db2.gz SGPSJVBDPFZVGZ-ZIAGYGMSSA-N 2 0 325.457 -0.116 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC000972355397 725505456 /nfs/dbraw/zinc/50/54/56/725505456.db2.gz VRFCSFDGDDOISI-OLZOCXBDSA-N 2 0 339.440 -0.589 20 0 EBADRP CC[C@@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000972626840 725564930 /nfs/dbraw/zinc/56/49/30/725564930.db2.gz BMNJXQZFWPFXAY-ZFWWWQNUSA-N 2 0 340.468 -0.106 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC000991745339 725598933 /nfs/dbraw/zinc/59/89/33/725598933.db2.gz BUVXFIDFPHJXRV-CQSZACIVSA-N 2 0 338.452 -0.623 20 0 EBADRP O=C(N[C@]12CCC[C@@H]1[N@H+](CCO)CC2)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000991935388 725679625 /nfs/dbraw/zinc/67/96/25/725679625.db2.gz QYKBYCHDSIPVIP-LLQJNDGASA-N 2 0 335.448 -0.045 20 0 EBADRP O=C(Cc1ncc[nH]1)N[C@@]12CCC[C@H]1[N@@H+]([C@H]1CCC(=O)NC1=O)CC2 ZINC000992376634 725789425 /nfs/dbraw/zinc/78/94/25/725789425.db2.gz KKRBVNXIEGDMFP-XWCIJXRUSA-N 2 0 345.403 -0.129 20 0 EBADRP CN1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000974000665 725844772 /nfs/dbraw/zinc/84/47/72/725844772.db2.gz SUNFKICIKBQDEK-KBXIAJHMSA-N 2 0 338.452 -0.578 20 0 EBADRP O=C(Cc1cnc[nH]1)N1CC(NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000993573633 725907996 /nfs/dbraw/zinc/90/79/96/725907996.db2.gz ZPSBKSSEXUZZRY-ZIAGYGMSSA-N 2 0 333.392 -0.858 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)nc1=O ZINC000995170714 726180394 /nfs/dbraw/zinc/18/03/94/726180394.db2.gz XHWLJTBJZSJYFW-OLZOCXBDSA-N 2 0 348.451 -0.421 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC000976541550 726340837 /nfs/dbraw/zinc/34/08/37/726340837.db2.gz PPMPEOYFAZBUKC-LISAXSMJSA-N 2 0 346.475 -0.003 20 0 EBADRP Cc1nccn1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C[C@H]21 ZINC000976542896 726341575 /nfs/dbraw/zinc/34/15/75/726341575.db2.gz QUPAONQSQQJFMS-YZVFDVFRSA-N 2 0 345.447 -0.038 20 0 EBADRP Cc1cncn1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000976549373 726344900 /nfs/dbraw/zinc/34/49/00/726344900.db2.gz WTRVNPALJNOVRY-NYTXWWLZSA-N 2 0 331.420 -0.284 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1)C1CC1 ZINC000976550406 726345698 /nfs/dbraw/zinc/34/56/98/726345698.db2.gz XAPNWPWJCNUJTF-YQFWSFKMSA-N 2 0 334.464 -0.005 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1)C1CC1 ZINC000976550404 726345773 /nfs/dbraw/zinc/34/57/73/726345773.db2.gz XAPNWPWJCNUJTF-ABFRBSLYSA-N 2 0 334.464 -0.005 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)CC1 ZINC000976763062 726409600 /nfs/dbraw/zinc/40/96/00/726409600.db2.gz ZHGLOPGGRBJQJK-ZSHCYNCHSA-N 2 0 346.475 -0.003 20 0 EBADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC000996518619 726409981 /nfs/dbraw/zinc/40/99/81/726409981.db2.gz FQUMOXXZWFLWRM-STQMWFEESA-N 2 0 348.447 -0.286 20 0 EBADRP Cn1nnnc1C[NH2+]C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000996561028 726418410 /nfs/dbraw/zinc/41/84/10/726418410.db2.gz NQZNSLSAPRAFGD-CQSZACIVSA-N 2 0 333.440 -0.368 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC000996723305 726423876 /nfs/dbraw/zinc/42/38/76/726423876.db2.gz LEVQPLWFUWNWKV-KGLIPLIRSA-N 2 0 336.436 -0.144 20 0 EBADRP Cn1nnnc1C[NH2+]C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000996770657 726426147 /nfs/dbraw/zinc/42/61/47/726426147.db2.gz MVOWZXDYJFMYOI-UHFFFAOYSA-N 2 0 333.440 -0.081 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2CCC([NH+]3CCN(CCO)CC3)CC2)C1 ZINC000996801124 726427798 /nfs/dbraw/zinc/42/77/98/726427798.db2.gz DBBQDACGQBVWGZ-GTPINHCMSA-N 2 0 338.496 -0.025 20 0 EBADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1)C(N)=O ZINC000996822160 726428856 /nfs/dbraw/zinc/42/88/56/726428856.db2.gz JHTFMFSCDOGZQV-ROBSIFSHSA-N 2 0 336.436 -0.696 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC([NH2+][C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC000996996841 726434355 /nfs/dbraw/zinc/43/43/55/726434355.db2.gz ADODNVUPVILVJP-GXTWGEPZSA-N 2 0 336.436 -0.286 20 0 EBADRP O=C(Cn1ccnc1)N1CC(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000997048873 726435708 /nfs/dbraw/zinc/43/57/08/726435708.db2.gz FDUKBGLFGJLNHZ-KDJCLPLCSA-N 2 0 345.403 -0.927 20 0 EBADRP CC[C@H]([NH2+]C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1)C(N)=O ZINC000997125109 726439150 /nfs/dbraw/zinc/43/91/50/726439150.db2.gz FUDFKGUNQJMICJ-HNNXBMFYSA-N 2 0 340.468 -0.058 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]CCN3C(=O)CNC3=O)CC2)C1 ZINC000997300516 726445458 /nfs/dbraw/zinc/44/54/58/726445458.db2.gz WNQBPIRAIXYMET-GFCCVEGCSA-N 2 0 337.424 -0.930 20 0 EBADRP CC[C@H]([NH2+]C1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1)C(N)=O ZINC000997313619 726445928 /nfs/dbraw/zinc/44/59/28/726445928.db2.gz SHAKIMVQKIUEND-HIFRSBDPSA-N 2 0 340.468 -0.201 20 0 EBADRP Cn1nnnc1C[NH2+]CC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000997785243 726464580 /nfs/dbraw/zinc/46/45/80/726464580.db2.gz VXBPJTOWCBFYGP-HNNXBMFYSA-N 2 0 347.467 -0.120 20 0 EBADRP Cn1[nH]c(C[NH2+]CC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)nc1=O ZINC000998221833 726481406 /nfs/dbraw/zinc/48/14/06/726481406.db2.gz ILALMKQRNYJJPN-UHFFFAOYSA-N 2 0 348.451 -0.468 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC000998723897 726496017 /nfs/dbraw/zinc/49/60/17/726496017.db2.gz SMAKOOAHVPTCRL-LSDHHAIUSA-N 2 0 338.452 -0.480 20 0 EBADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CCC1 ZINC000999346872 726515292 /nfs/dbraw/zinc/51/52/92/726515292.db2.gz GZVRSDHFVUNXNG-OLZOCXBDSA-N 2 0 336.436 -0.144 20 0 EBADRP NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000999352949 726515700 /nfs/dbraw/zinc/51/57/00/726515700.db2.gz LHENCBFNZYAQGQ-UKRRQHHQSA-N 2 0 338.452 -0.304 20 0 EBADRP C[C@@H]([NH2+]C1CC(N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1)C(N)=O ZINC000999538377 726522023 /nfs/dbraw/zinc/52/20/23/726522023.db2.gz QSZZWEBQGWHPEY-LMWSTFAQSA-N 2 0 336.440 -0.489 20 0 EBADRP CN1CCO[C@@H](C(=O)NCc2cn([C@H]3CCN(CCF)C3)nn2)C1 ZINC000999975238 726546280 /nfs/dbraw/zinc/54/62/80/726546280.db2.gz QFQRIOOEXHZSCK-UONOGXRCSA-N 2 0 340.403 -0.559 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCN2CCNC2=O)CC1 ZINC001000521970 726569417 /nfs/dbraw/zinc/56/94/17/726569417.db2.gz OZDHKYCMWOGELE-HNNXBMFYSA-N 2 0 335.452 -0.146 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CCC[C@@H]([NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001000570926 726571339 /nfs/dbraw/zinc/57/13/39/726571339.db2.gz HLPGXDNCLPJCIG-UKRRQHHQSA-N 2 0 338.452 -0.434 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nc1=O ZINC001000690909 726575355 /nfs/dbraw/zinc/57/53/55/726575355.db2.gz XFONUIWDSALAEF-OLZOCXBDSA-N 2 0 336.440 -0.469 20 0 EBADRP CCN1CCO[C@@H](C(=O)N2CCC[C@H](NCc3ncnn3C)C2)C1 ZINC001000969441 726585516 /nfs/dbraw/zinc/58/55/16/726585516.db2.gz LOGYXYNYOYUOBE-UONOGXRCSA-N 2 0 336.440 -0.384 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1=CC[NH+](CCN2CCNC2=O)CC1 ZINC001001150638 726594270 /nfs/dbraw/zinc/59/42/70/726594270.db2.gz HEHUPEPHOBVTMY-HOCLYGCPSA-N 2 0 349.479 -0.042 20 0 EBADRP CNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001001425594 726605652 /nfs/dbraw/zinc/60/56/52/726605652.db2.gz QIPFNGJQPKXXCJ-GJZGRUSLSA-N 2 0 338.452 -0.576 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC001002461350 726641493 /nfs/dbraw/zinc/64/14/93/726641493.db2.gz QGMBNFSRDKGZJE-CQSZACIVSA-N 2 0 336.436 -0.190 20 0 EBADRP O=C(NC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001002834092 726649754 /nfs/dbraw/zinc/64/97/54/726649754.db2.gz RQXVNEKFXXTLNB-GJZGRUSLSA-N 2 0 348.447 -0.286 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](CCN3CCNC3=O)CC2)C1 ZINC001003626955 726682675 /nfs/dbraw/zinc/68/26/75/726682675.db2.gz YHTVUNIDGYAADT-AWEZNQCLSA-N 2 0 337.468 -0.066 20 0 EBADRP O=C(N1CCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001051904791 735456294 /nfs/dbraw/zinc/45/62/94/735456294.db2.gz UOVMFGQAXOLHLW-KBPBESRZSA-N 2 0 336.436 -0.822 20 0 EBADRP O=C(N1CCO[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001051904795 735456426 /nfs/dbraw/zinc/45/64/26/735456426.db2.gz UOVMFGQAXOLHLW-UONOGXRCSA-N 2 0 336.436 -0.822 20 0 EBADRP Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CCO2)cc1=O ZINC001051930017 735468865 /nfs/dbraw/zinc/46/88/65/735468865.db2.gz GWIDOHJTARZLOH-HOTGVXAUSA-N 2 0 348.447 -0.346 20 0 EBADRP COc1nccc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CCO2)n1 ZINC001051931567 735469354 /nfs/dbraw/zinc/46/93/54/735469354.db2.gz CZWIBYSRVKWTKW-HIFRSBDPSA-N 2 0 349.435 -0.246 20 0 EBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001018859451 728695829 /nfs/dbraw/zinc/69/58/29/728695829.db2.gz VLHIUXZRMBWCDJ-LZWOXQAQSA-N 2 0 338.452 -0.591 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)CCO1 ZINC001020028805 729058982 /nfs/dbraw/zinc/05/89/82/729058982.db2.gz KBNSYANVDZAIPG-ZQDZILKHSA-N 2 0 338.452 -0.435 20 0 EBADRP CN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1=O ZINC001020406998 729160778 /nfs/dbraw/zinc/16/07/78/729160778.db2.gz JWDXNMGKUCEBCH-NWCRCAFSSA-N 2 0 348.447 -0.683 20 0 EBADRP CN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1=O ZINC001020406996 729160786 /nfs/dbraw/zinc/16/07/86/729160786.db2.gz JWDXNMGKUCEBCH-DCUDBCFGSA-N 2 0 348.447 -0.683 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001020588848 729205657 /nfs/dbraw/zinc/20/56/57/729205657.db2.gz OHOOISMYVISCIG-LXTVHRRPSA-N 2 0 343.493 0.000 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001020592432 729206650 /nfs/dbraw/zinc/20/66/50/729206650.db2.gz FPKMSDRSNQLGGB-AJNGGQMLSA-N 2 0 338.452 -0.720 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)nc1=O ZINC001020679385 729216778 /nfs/dbraw/zinc/21/67/78/729216778.db2.gz OQNIQTOXDSUPCV-JOCQHMNTSA-N 2 0 336.440 -0.423 20 0 EBADRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001020679466 729217046 /nfs/dbraw/zinc/21/70/46/729217046.db2.gz RFRRYGSKTVBUIO-MGPQQGTHSA-N 2 0 336.436 -0.240 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)C1 ZINC001021047541 729274721 /nfs/dbraw/zinc/27/47/21/729274721.db2.gz GWQWIVLIQHITMH-KKUMJFAQSA-N 2 0 343.493 0.000 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001021051384 729275340 /nfs/dbraw/zinc/27/53/40/729275340.db2.gz KFPKIONAOYNPLN-JOCQHMNTSA-N 2 0 334.424 -0.359 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001021904722 729345058 /nfs/dbraw/zinc/34/50/58/729345058.db2.gz CCBZVQWTWJYPED-FQUUOJAGSA-N 2 0 329.466 -0.248 20 0 EBADRP O=C(N[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001022090211 729453357 /nfs/dbraw/zinc/45/33/57/729453357.db2.gz VDUWEQRZIHVRGX-CRWXNKLISA-N 2 0 334.420 -0.630 20 0 EBADRP O=C(N[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001022090212 729453495 /nfs/dbraw/zinc/45/34/95/729453495.db2.gz VDUWEQRZIHVRGX-RFQIPJPRSA-N 2 0 334.420 -0.630 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)n1 ZINC001022097478 729454861 /nfs/dbraw/zinc/45/48/61/729454861.db2.gz ZJROFSZGCGQQRH-OKILXGFUSA-N 2 0 346.439 -0.413 20 0 EBADRP Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)nn1 ZINC001022118928 729457279 /nfs/dbraw/zinc/45/72/79/729457279.db2.gz AOQGJODZBMLUEW-AYRXBEOTSA-N 2 0 334.424 -0.585 20 0 EBADRP CCn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)nn1 ZINC001022120143 729457629 /nfs/dbraw/zinc/45/76/29/729457629.db2.gz LDYCDTGQDLHMOQ-OCVGTWLNSA-N 2 0 348.451 -0.102 20 0 EBADRP O=C(C[NH2+][C@@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1)N1CCC1 ZINC001022121412 729457665 /nfs/dbraw/zinc/45/76/65/729457665.db2.gz BYCNGPRXJNXGAN-LXTVHRRPSA-N 2 0 336.436 -0.681 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001022717039 729524440 /nfs/dbraw/zinc/52/44/40/729524440.db2.gz NHZHMNCGTMWOEX-OKILXGFUSA-N 2 0 337.468 -0.020 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001022717471 729524450 /nfs/dbraw/zinc/52/44/50/729524450.db2.gz XYGBTQOUXPUXBI-XQQFMLRXSA-N 2 0 336.436 -0.240 20 0 EBADRP O=C(N[C@H]1C[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)C12CC[NH+](CC1)C2 ZINC001022981597 729569997 /nfs/dbraw/zinc/56/99/97/729569997.db2.gz WMFFARSQQQIKBK-MCIONIFRSA-N 2 0 341.477 -0.246 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001022984872 729570910 /nfs/dbraw/zinc/57/09/10/729570910.db2.gz UEROSPDQBCPAJB-NTZNESFSSA-N 2 0 345.403 -0.197 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001023089052 729599146 /nfs/dbraw/zinc/59/91/46/729599146.db2.gz WRXDOMFNOGMERG-OKILXGFUSA-N 2 0 344.481 -0.646 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCN2CCNC2=O)C1 ZINC001023274109 729654903 /nfs/dbraw/zinc/65/49/03/729654903.db2.gz SUBIRIINWVXWAM-GJZGRUSLSA-N 2 0 337.468 -0.066 20 0 EBADRP CNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023550836 729721581 /nfs/dbraw/zinc/72/15/81/729721581.db2.gz NTDMSAXQRFBHTQ-LSDHHAIUSA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001023783198 729797328 /nfs/dbraw/zinc/79/73/28/729797328.db2.gz FNJPENABKNMLRJ-BFHYXJOUSA-N 2 0 338.452 -0.890 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001024018929 729829780 /nfs/dbraw/zinc/82/97/80/729829780.db2.gz URBTYXUOFMGRFK-DOMZBBRYSA-N 2 0 335.456 -0.122 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@H]1O ZINC001025014150 729986711 /nfs/dbraw/zinc/98/67/11/729986711.db2.gz MAGFZISIVZHSSO-APIJFGDWSA-N 2 0 338.452 -0.747 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)[NH+](C)C ZINC001025135927 730004018 /nfs/dbraw/zinc/00/40/18/730004018.db2.gz ITPOYXNTLGXQMD-CBBWQLFWSA-N 2 0 340.468 -0.501 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025809050 730094045 /nfs/dbraw/zinc/09/40/45/730094045.db2.gz VFZXXTOGQHCVQH-AQRJEWBLSA-N 2 0 348.447 -0.288 20 0 EBADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908691 730104734 /nfs/dbraw/zinc/10/47/34/730104734.db2.gz UXJBHTLTEVQYLR-WEZMSDAISA-N 2 0 348.447 -0.970 20 0 EBADRP CO[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908737 730104837 /nfs/dbraw/zinc/10/48/37/730104837.db2.gz WFASTDMUTWAGLB-YEPCUASBSA-N 2 0 335.448 -0.069 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)N3CCCC3)C[C@H]21 ZINC001026044908 730117973 /nfs/dbraw/zinc/11/79/73/730117973.db2.gz USEGMIIWTOKNHN-LVNYTYFRSA-N 2 0 334.464 -0.147 20 0 EBADRP CN1CCC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC[NH+](C)C2)C1=O ZINC001026140420 730124289 /nfs/dbraw/zinc/12/42/89/730124289.db2.gz NWMUMECIXYRAKJ-KSXIZUIISA-N 2 0 334.464 -0.005 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@H]3C2)cn1 ZINC001026373297 730141404 /nfs/dbraw/zinc/14/14/04/730141404.db2.gz MLUDHFYGRUJMCU-AEGPPILISA-N 2 0 348.451 -0.630 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@H](C[NH2+][C@H]3CCNC3=O)C2)n1 ZINC001026851096 730163437 /nfs/dbraw/zinc/16/34/37/730163437.db2.gz JOGJXHQVXXSGNR-KGLIPLIRSA-N 2 0 348.451 -0.615 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001026851892 730163483 /nfs/dbraw/zinc/16/34/83/730163483.db2.gz IQVKROYERILSBD-JHJVBQTASA-N 2 0 336.440 -0.613 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H](C[NH2+][C@H]3CCNC3=O)C2)n1 ZINC001026851095 730163603 /nfs/dbraw/zinc/16/36/03/730163603.db2.gz JOGJXHQVXXSGNR-KBPBESRZSA-N 2 0 348.451 -0.615 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnnn3C)C2)CC[N@@H+]1C ZINC001026853533 730163621 /nfs/dbraw/zinc/16/36/21/730163621.db2.gz JXTJYGDLYLVWNY-MELADBBJSA-N 2 0 335.456 -0.122 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)nc1=O ZINC001026891520 730167912 /nfs/dbraw/zinc/16/79/12/730167912.db2.gz XGNGCIHXKIOXFY-LBPRGKRZSA-N 2 0 336.440 -0.469 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnnn3C)C2)CC[N@@H+]1C ZINC001027021206 730182391 /nfs/dbraw/zinc/18/23/91/730182391.db2.gz IZVIYMRDXVBTAI-MJBXVCDLSA-N 2 0 335.456 -0.122 20 0 EBADRP C[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001027035627 730184653 /nfs/dbraw/zinc/18/46/53/730184653.db2.gz HQWVIXYSIVYNTH-OCCSQVGLSA-N 2 0 336.436 -0.429 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@H](C[NH2+][C@H]3CCNC3=O)C2)cn1 ZINC001027115686 730189399 /nfs/dbraw/zinc/18/93/99/730189399.db2.gz HTVAFAMEZQROKI-HIFRSBDPSA-N 2 0 348.451 -0.615 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CC[C@H](C[NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001027146307 730192386 /nfs/dbraw/zinc/19/23/86/730192386.db2.gz JJMTXUXLDHYLNT-UKRRQHHQSA-N 2 0 338.452 -0.576 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CC[C@@H](C[NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001027146308 730192499 /nfs/dbraw/zinc/19/24/99/730192499.db2.gz JJMTXUXLDHYLNT-ZFWWWQNUSA-N 2 0 338.452 -0.576 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001027217890 730199821 /nfs/dbraw/zinc/19/98/21/730199821.db2.gz RHAGZQDNKIEDFM-GJZGRUSLSA-N 2 0 343.493 -0.045 20 0 EBADRP C[C@@H](C(N)=O)[N@H+](C)[C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001027635782 730230543 /nfs/dbraw/zinc/23/05/43/730230543.db2.gz ZQWVRYAGXYJSCV-KBPBESRZSA-N 2 0 340.468 -0.106 20 0 EBADRP C[N@H+]([C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)[C@H]1CCC(=O)NC1=O ZINC001027681431 730234004 /nfs/dbraw/zinc/23/40/04/730234004.db2.gz WYFTTYKGSAHWHE-KBPBESRZSA-N 2 0 336.436 -0.190 20 0 EBADRP C[N@H+](CCN1CCNC1=O)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001027681364 730234034 /nfs/dbraw/zinc/23/40/34/730234034.db2.gz VJGXPMBICHDKTA-LSDHHAIUSA-N 2 0 337.468 -0.114 20 0 EBADRP C[N@H+](CCN1CCNC1=O)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001027681361 730234049 /nfs/dbraw/zinc/23/40/49/730234049.db2.gz VJGXPMBICHDKTA-CABCVRRESA-N 2 0 337.468 -0.114 20 0 EBADRP O=C(NC[C@@H]1CCC[N@@H+]1CCN1C(=O)CNC1=O)C12CC[NH+](CC1)C2 ZINC001028268538 730279042 /nfs/dbraw/zinc/27/90/42/730279042.db2.gz VEDVMGOWBPEREJ-ZDUSSCGKSA-N 2 0 349.435 -0.785 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+]2CCN2C(=O)CCC2=O)C1 ZINC001028320625 730283388 /nfs/dbraw/zinc/28/33/88/730283388.db2.gz UBAOGTPCUIKUAM-UONOGXRCSA-N 2 0 336.436 -0.332 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001028545208 730311323 /nfs/dbraw/zinc/31/13/23/730311323.db2.gz CWHUOUBMKWIDLG-ZDUSSCGKSA-N 2 0 336.440 -0.758 20 0 EBADRP O=C(NC[C@@H]1CC[N@H+](CCN2CCNC2=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001028545433 730311544 /nfs/dbraw/zinc/31/15/44/730311544.db2.gz QCAUTXXABWJOCF-GOEBONIOSA-N 2 0 349.479 -0.209 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001028758828 730352411 /nfs/dbraw/zinc/35/24/11/730352411.db2.gz XQPDIVKIPQRQOR-CABCVRRESA-N 2 0 340.468 -0.378 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NC[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)cn1 ZINC001028857286 730363214 /nfs/dbraw/zinc/36/32/14/730363214.db2.gz VJOCVGIXNZVLAU-HIFRSBDPSA-N 2 0 348.451 -0.615 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001028856943 730363506 /nfs/dbraw/zinc/36/35/06/730363506.db2.gz RPURPBNIOXMYLT-CYBMUJFWSA-N 2 0 336.440 -0.758 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3[C@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001029313502 730398322 /nfs/dbraw/zinc/39/83/22/730398322.db2.gz DQVQVSBSKVGIMS-QMIVOQANSA-N 2 0 348.447 -0.193 20 0 EBADRP C[NH+](C)C1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCC(=O)NC2=O)CCC1 ZINC001029337971 730399750 /nfs/dbraw/zinc/39/97/50/730399750.db2.gz YAJCDFDOOKBSPU-MJBXVCDLSA-N 2 0 348.447 -0.049 20 0 EBADRP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001029356306 730400902 /nfs/dbraw/zinc/40/09/02/730400902.db2.gz JPISMZJFVYMJBE-RQJABVFESA-N 2 0 336.436 -0.193 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1CCC[NH+]1C ZINC001057211622 737082749 /nfs/dbraw/zinc/08/27/49/737082749.db2.gz ALQCMEIINIYLHL-CQSZACIVSA-N 2 0 328.457 -0.641 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CCN1CCNC1=O ZINC001029475301 730406852 /nfs/dbraw/zinc/40/68/52/730406852.db2.gz YDAUVEAKLAUUIG-LVQVYYBASA-N 2 0 349.479 -0.116 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3[C@H]2CCC(=O)NC2=O)C1 ZINC001029473372 730406973 /nfs/dbraw/zinc/40/69/73/730406973.db2.gz KWSBHOOXOVRWCG-XQLPTFJDSA-N 2 0 348.447 -0.191 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001031772484 730766582 /nfs/dbraw/zinc/76/65/82/730766582.db2.gz WDCJNEBFYLGQFM-HOTGVXAUSA-N 2 0 335.452 -0.224 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCn3cncn3)C2)C1 ZINC001031922494 730792610 /nfs/dbraw/zinc/79/26/10/730792610.db2.gz FEOXFYNUSRRZPY-HNNXBMFYSA-N 2 0 336.440 -0.565 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC2CN(C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001032186023 730823676 /nfs/dbraw/zinc/82/36/76/730823676.db2.gz GKNBKMNDGHPRBB-OCCSQVGLSA-N 2 0 329.466 -0.579 20 0 EBADRP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@H](O)Cn2cccn2)CC1 ZINC001032603381 730898157 /nfs/dbraw/zinc/89/81/57/730898157.db2.gz ZJVYXEOEMDLLEQ-ULQDDVLXSA-N 2 0 347.463 -0.129 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](CCN3CCNC3=O)C2)C1 ZINC001033420093 731020939 /nfs/dbraw/zinc/02/09/39/731020939.db2.gz LXLJRKWUAXMLEI-GJZGRUSLSA-N 2 0 337.468 -0.114 20 0 EBADRP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC001033665074 731058531 /nfs/dbraw/zinc/05/85/31/731058531.db2.gz LEZPCSAHFRUSHG-CVEARBPZSA-N 2 0 335.452 -0.128 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nnnn2C)CC1 ZINC001034738890 731154733 /nfs/dbraw/zinc/15/47/33/731154733.db2.gz XJTTYAGGSLDGCO-XDQVBPFNSA-N 2 0 335.456 -0.075 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CCC[C@@H]2C[NH2+][C@@H]2CCNC2=O)n1 ZINC001034940560 731166113 /nfs/dbraw/zinc/16/61/13/731166113.db2.gz VVPRDAGVVTWMLL-ZIAGYGMSSA-N 2 0 348.451 -0.473 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@](O)(CNC(=O)C[NH+](CC)CC)C1)[NH+](C)C ZINC001039785710 731533709 /nfs/dbraw/zinc/53/37/09/731533709.db2.gz LSYVEFUGXNUXDT-RHSMWYFYSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001039785398 731533725 /nfs/dbraw/zinc/53/37/25/731533725.db2.gz IZDIWLBSQJUWIB-PBHICJAKSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@](O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001040099132 731597340 /nfs/dbraw/zinc/59/73/40/731597340.db2.gz HAZNIASTOHTSHN-QGZVFWFLSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001040200098 731641301 /nfs/dbraw/zinc/64/13/01/731641301.db2.gz DYHWFKJVNCHNFN-CJNGLKHVSA-N 2 0 328.457 -0.642 20 0 EBADRP C[NH+](C)CCCCC(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040432925 731732401 /nfs/dbraw/zinc/73/24/01/731732401.db2.gz ZENDYTAQUXTONT-KRWDZBQOSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001040718635 731846068 /nfs/dbraw/zinc/84/60/68/731846068.db2.gz MQRSCKURTIMDJJ-KRWDZBQOSA-N 2 0 340.468 -0.496 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001040719107 731846190 /nfs/dbraw/zinc/84/61/90/731846190.db2.gz RBQDPLSAHFEWLT-RHSMWYFYSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001040901791 731910736 /nfs/dbraw/zinc/91/07/36/731910736.db2.gz MVDRDIPVUTTXSP-QGZVFWFLSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)CC[N@H+](C)CC)C1)[NH+](C)C ZINC001040902024 731911597 /nfs/dbraw/zinc/91/15/97/731911597.db2.gz OPQOETOFYVGCOH-WMLDXEAASA-N 2 0 342.484 -0.252 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@]2(O)CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001040927438 731924893 /nfs/dbraw/zinc/92/48/93/731924893.db2.gz RBTRJBLIFMYCQG-WMLDXEAASA-N 2 0 340.468 -0.641 20 0 EBADRP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001041489342 732139758 /nfs/dbraw/zinc/13/97/58/732139758.db2.gz UEFACJAJTPERAC-CQDXFGNVSA-N 2 0 335.448 -0.234 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CC[C@@]3(CC[N@H+](CC(N)=O)C3)C2)CC1 ZINC001041763167 732217521 /nfs/dbraw/zinc/21/75/21/732217521.db2.gz PTOXUUYTBHOINP-QGZVFWFLSA-N 2 0 338.452 -0.493 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CCN4CCNC4=O)C3)C2)C1 ZINC001041829641 732234921 /nfs/dbraw/zinc/23/49/21/732234921.db2.gz ABDOIRYQIHAVMY-CRAIPNDOSA-N 2 0 349.479 -0.112 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001042098032 732307806 /nfs/dbraw/zinc/30/78/06/732307806.db2.gz LYVVUSVHTAVJEZ-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001042104085 732314645 /nfs/dbraw/zinc/31/46/45/732314645.db2.gz KQBPZRZWAPKDIB-CYBMUJFWSA-N 2 0 340.468 -0.500 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCOC[C@H]2CNC(=O)C[NH+]2CCCC2)C1 ZINC001061599403 738639899 /nfs/dbraw/zinc/63/98/99/738639899.db2.gz AXDXDKBAYRYPCN-LSDHHAIUSA-N 2 0 338.452 -0.623 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001061595418 738635061 /nfs/dbraw/zinc/63/50/61/738635061.db2.gz JCLZVUUHTXXUMN-ZIAGYGMSSA-N 2 0 326.441 -0.767 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001061605817 738646191 /nfs/dbraw/zinc/64/61/91/738646191.db2.gz ZQHQRGYJCKEZHL-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001043430289 732935196 /nfs/dbraw/zinc/93/51/96/732935196.db2.gz JNVMLIDHVIVHSF-ZIAGYGMSSA-N 2 0 340.468 -0.644 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001043432215 732936766 /nfs/dbraw/zinc/93/67/66/732936766.db2.gz XFYRLABOECPYNE-UHFFFAOYSA-N 2 0 338.452 -0.888 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001043456180 732949802 /nfs/dbraw/zinc/94/98/02/732949802.db2.gz SEIFBSYSMOABOC-UHFFFAOYSA-N 2 0 340.468 -0.498 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001043456844 732950720 /nfs/dbraw/zinc/95/07/20/732950720.db2.gz XAQOSUQOESNPKH-UHFFFAOYSA-N 2 0 340.468 -0.500 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1)C1CC1 ZINC001043464269 732955705 /nfs/dbraw/zinc/95/57/05/732955705.db2.gz WEJXKHSUKKBRBX-KBPBESRZSA-N 2 0 338.452 -0.890 20 0 EBADRP C[N@H+](CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[NH+]2C)C1)C1CCC1 ZINC001043529978 732993856 /nfs/dbraw/zinc/99/38/56/732993856.db2.gz DAGBNNWBUUTOPZ-AWEZNQCLSA-N 2 0 338.452 -0.746 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001043537804 732999368 /nfs/dbraw/zinc/99/93/68/732999368.db2.gz WXUJOQQAQROBCG-UHFFFAOYSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[C@H](C(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CC)C1)[NH+](C)C ZINC001043676987 733055085 /nfs/dbraw/zinc/05/50/85/733055085.db2.gz CMEJRYLDMXYTJG-CYBMUJFWSA-N 2 0 328.457 -0.642 20 0 EBADRP C[NH+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001044000239 733238900 /nfs/dbraw/zinc/23/89/00/733238900.db2.gz CYRCTNVQNQLIFH-KGLIPLIRSA-N 2 0 338.452 -0.888 20 0 EBADRP CC[C@@H](C(=O)NCC1(O)CN(C(=O)CCCC[NH+](C)C)C1)[NH+](C)C ZINC001044042112 733259346 /nfs/dbraw/zinc/25/93/46/733259346.db2.gz WLDLFDFKPMSYDR-AWEZNQCLSA-N 2 0 342.484 -0.252 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1 ZINC001044291563 733360709 /nfs/dbraw/zinc/36/07/09/733360709.db2.gz UWMBNVSJRPLZRC-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP CCC[NH+](C)CC(=O)NCC1(O)CN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001044298589 733365946 /nfs/dbraw/zinc/36/59/46/733365946.db2.gz OGEHFZRDEDVWNU-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP CCC[NH+](C)CC(=O)N1CC(O)(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001044298902 733366942 /nfs/dbraw/zinc/36/69/42/733366942.db2.gz REEJBLCGFVPAHC-UHFFFAOYSA-N 2 0 328.457 -0.641 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001061739911 738732168 /nfs/dbraw/zinc/73/21/68/738732168.db2.gz FSIIAYXEJUQCNS-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001061739909 738732181 /nfs/dbraw/zinc/73/21/81/738732181.db2.gz FSIIAYXEJUQCNS-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001045386021 733682067 /nfs/dbraw/zinc/68/20/67/733682067.db2.gz BLPDPIPKGFNKQA-CYBMUJFWSA-N 2 0 338.452 -0.888 20 0 EBADRP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001045713796 733757823 /nfs/dbraw/zinc/75/78/23/733757823.db2.gz QIJCGJTUMVYQLS-INIZCTEOSA-N 2 0 338.452 -0.887 20 0 EBADRP CC[C@H](C(=O)N1CCN([C@H]2CC[N@H+](CCCO)C2)CC1)[NH+](C)C ZINC001046038323 733823086 /nfs/dbraw/zinc/82/30/86/733823086.db2.gz KLWILTHTIBNCDC-JKSUJKDBSA-N 2 0 326.485 -0.073 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCN([C@H]3CC[N@H+](CCCO)C3)CC2)CC1 ZINC001046058336 733837932 /nfs/dbraw/zinc/83/79/32/733837932.db2.gz HKJFVEYMCATVIQ-KRWDZBQOSA-N 2 0 338.496 -0.071 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H]3CC[NH+](CCCO)C3)CC2)C1 ZINC001046064649 733841312 /nfs/dbraw/zinc/84/13/12/733841312.db2.gz QOZCUIRJINDGQO-IAGOWNOFSA-N 2 0 338.496 -0.071 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCN([C@H]2CCN(Cc3cnon3)C2)CC1 ZINC001046081509 733854333 /nfs/dbraw/zinc/85/43/33/733854333.db2.gz GRBKMWWJONWICR-INIZCTEOSA-N 2 0 348.451 -0.116 20 0 EBADRP Cn1[nH]c(CN2CC[C@](C)(NC(=O)C3CC[NH+](C)CC3)C2)nc1=O ZINC001046596886 733977900 /nfs/dbraw/zinc/97/79/00/733977900.db2.gz CWGARHIEWCZLCX-INIZCTEOSA-N 2 0 336.440 -0.469 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046664928 733992702 /nfs/dbraw/zinc/99/27/02/733992702.db2.gz LIFBRULAJJLJEE-UONOGXRCSA-N 2 0 338.452 -0.746 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061829153 738773850 /nfs/dbraw/zinc/77/38/50/738773850.db2.gz LAYNKJPOCRTGCI-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@]2(C)CC[NH+](CCN3C(=O)CCC3=O)C2)C1 ZINC001046838144 734038486 /nfs/dbraw/zinc/03/84/86/734038486.db2.gz FPVZTOBSWBJLBJ-GUYCJALGSA-N 2 0 336.436 -0.332 20 0 EBADRP O=C(Cc1c[nH]cn1)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCN1CCNC1=O)C2 ZINC001047150101 734101056 /nfs/dbraw/zinc/10/10/56/734101056.db2.gz JYSUBCLNPUNVAZ-YDHLFZDLSA-N 2 0 346.435 -0.054 20 0 EBADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O ZINC001047323935 734134777 /nfs/dbraw/zinc/13/47/77/734134777.db2.gz BQUBGWDHNWFULO-JYJNAYRXSA-N 2 0 335.452 -0.440 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001061859063 738789345 /nfs/dbraw/zinc/78/93/45/738789345.db2.gz DGTFBLLDEHNPMA-CQSZACIVSA-N 2 0 338.452 -0.623 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCOC[C@@H]2CNC(=O)CC[NH+](C)C)C1 ZINC001061862655 738791529 /nfs/dbraw/zinc/79/15/29/738791529.db2.gz WMQQTAHMCBFXIV-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP Cc1cc(CN2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)ncn1 ZINC001047628155 734290317 /nfs/dbraw/zinc/29/03/17/734290317.db2.gz CRMNFIQCBBCUDH-KBMXLJTQSA-N 2 0 333.436 -0.260 20 0 EBADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048443359 734419632 /nfs/dbraw/zinc/41/96/32/734419632.db2.gz YYHVOVCJGDUOKW-QWHCGFSZSA-N 2 0 348.451 -0.612 20 0 EBADRP C[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]2C1 ZINC001048824444 734526193 /nfs/dbraw/zinc/52/61/93/734526193.db2.gz DNWOSOFINDMBPB-MELADBBJSA-N 2 0 348.451 -0.678 20 0 EBADRP CN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)[C@H](C4CC4)[NH+](C)C)C[C@H]3C2)C1=O ZINC001048864384 734543826 /nfs/dbraw/zinc/54/38/26/734543826.db2.gz XNDLODNLWXOPQY-QXSJWSMHSA-N 2 0 334.464 -0.053 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001048873632 734550193 /nfs/dbraw/zinc/55/01/93/734550193.db2.gz IKSDZBGQDZYWDK-GJZGRUSLSA-N 2 0 340.468 -0.546 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001048896301 734561439 /nfs/dbraw/zinc/56/14/39/734561439.db2.gz YEXXMWGNFQNBJO-LJISPDSOSA-N 2 0 348.447 -0.334 20 0 EBADRP C[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@@H]3C2)CC1 ZINC001049025242 734619198 /nfs/dbraw/zinc/61/91/98/734619198.db2.gz PXKKZXRFBGXTBL-OWCLPIDISA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2C1 ZINC001049060297 734631344 /nfs/dbraw/zinc/63/13/44/734631344.db2.gz QXTVKMBCSBYWSD-CAOSSQGBSA-N 2 0 332.452 -0.134 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CCOC[C@H]2CNC(=O)Cc2c[nH]cn2)CC1 ZINC001061932508 738836474 /nfs/dbraw/zinc/83/64/74/738836474.db2.gz ZJWJUVVUANNYLF-CQSZACIVSA-N 2 0 349.435 -0.362 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@@H]1O ZINC001049149765 734663068 /nfs/dbraw/zinc/66/30/68/734663068.db2.gz KETWOVMQVUBIPE-ILXRZTDVSA-N 2 0 340.468 -0.548 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@@H]1O ZINC001049150442 734664030 /nfs/dbraw/zinc/66/40/30/734664030.db2.gz ZIYJTGNRMMHMAB-GJZGRUSLSA-N 2 0 342.484 -0.302 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[NH+]([C@H]4CCC(=O)NC4=O)C[C@@H]3C2)C1 ZINC001049171073 734674921 /nfs/dbraw/zinc/67/49/21/734674921.db2.gz JQUVIOKNGXVMNJ-KBXIAJHMSA-N 2 0 348.447 -0.476 20 0 EBADRP O=C(C[N@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1)NC1CC1 ZINC001049173187 734675951 /nfs/dbraw/zinc/67/59/51/734675951.db2.gz LSINNPASHXRKKG-OKILXGFUSA-N 2 0 332.448 -0.249 20 0 EBADRP CC(C)[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001049436046 734729988 /nfs/dbraw/zinc/72/99/88/734729988.db2.gz YSNUSQDYRPOCFJ-DZKIICNBSA-N 2 0 342.484 -0.446 20 0 EBADRP NC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)CC1 ZINC001050525202 734918733 /nfs/dbraw/zinc/91/87/33/734918733.db2.gz BNHANRAWZIKJBF-UONOGXRCSA-N 2 0 336.436 -0.741 20 0 EBADRP CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001051494420 735197663 /nfs/dbraw/zinc/19/76/63/735197663.db2.gz VCSNKFOPXPXJRA-HUUCEWRRSA-N 2 0 336.440 -0.291 20 0 EBADRP COCC[NH+]1CCN([C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001052108937 735551383 /nfs/dbraw/zinc/55/13/83/735551383.db2.gz TVFRDYAUOSMCPD-INIZCTEOSA-N 2 0 336.480 -0.053 20 0 EBADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001054736069 736237083 /nfs/dbraw/zinc/23/70/83/736237083.db2.gz KXPWJZUZSKEDGY-ZIAGYGMSSA-N 2 0 337.468 -0.068 20 0 EBADRP C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1[NH2+]CC(N)=O ZINC001054894755 736264743 /nfs/dbraw/zinc/26/47/43/736264743.db2.gz YGIKLSUGLYJRPU-RISCZKNCSA-N 2 0 328.376 -0.197 20 0 EBADRP CCOCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055505557 736361989 /nfs/dbraw/zinc/36/19/89/736361989.db2.gz MEAZSJPYESCPMO-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](CCNC(=O)c3ncc[nH]3)CC2)C1 ZINC001055573420 736388750 /nfs/dbraw/zinc/38/87/50/736388750.db2.gz CBKUMFUYTUVZET-CYBMUJFWSA-N 2 0 348.451 -0.328 20 0 EBADRP CC(=O)NC1CC[NH+](CCNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001055578419 736391164 /nfs/dbraw/zinc/39/11/64/736391164.db2.gz MZRLEKPQGMJNMF-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)c2cn[nH]n2)CC1 ZINC001055633207 736417634 /nfs/dbraw/zinc/41/76/34/736417634.db2.gz FSHCXMLRDMXKHJ-UHFFFAOYSA-N 2 0 337.428 -0.933 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001056081126 736631735 /nfs/dbraw/zinc/63/17/35/736631735.db2.gz ACDORYNENIWUER-QGZVFWFLSA-N 2 0 342.484 -0.250 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001057212857 737086085 /nfs/dbraw/zinc/08/60/85/737086085.db2.gz YAFPVQOLKFTFRT-AWEZNQCLSA-N 2 0 338.452 -0.887 20 0 EBADRP C[NH+](C)CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001057631988 737370120 /nfs/dbraw/zinc/37/01/20/737370120.db2.gz FUKIUNHGUKIGRI-OAHLLOKOSA-N 2 0 342.484 -0.393 20 0 EBADRP C[NH+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001057632229 737370703 /nfs/dbraw/zinc/37/07/03/737370703.db2.gz JZGINBLVYCFAMI-LSDHHAIUSA-N 2 0 340.468 -0.783 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057640982 737382264 /nfs/dbraw/zinc/38/22/64/737382264.db2.gz RZXCUZNUHMODQE-UHFFFAOYSA-N 2 0 342.484 -0.249 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1)C1CC1 ZINC001057641691 737382359 /nfs/dbraw/zinc/38/23/59/737382359.db2.gz ATLSPNAUEVEEIW-MRXNPFEDSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@H](C(=O)NCCN(CCO)C(=O)C[NH+](CC)CC)[NH+](C)C ZINC001057659758 737397428 /nfs/dbraw/zinc/39/74/28/737397428.db2.gz YLZNMBKIUJZXPA-CQSZACIVSA-N 2 0 330.473 -0.395 20 0 EBADRP C[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001057676826 737407854 /nfs/dbraw/zinc/40/78/54/737407854.db2.gz RCECVJLJUUYOKW-HNNXBMFYSA-N 2 0 340.468 -0.783 20 0 EBADRP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001057738535 737427347 /nfs/dbraw/zinc/42/73/47/737427347.db2.gz AEAODUOVVUWWLV-HUUCEWRRSA-N 2 0 342.484 -0.395 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001057864062 737484771 /nfs/dbraw/zinc/48/47/71/737484771.db2.gz ARVVAKHUTWUVNP-AWEZNQCLSA-N 2 0 328.457 -0.785 20 0 EBADRP CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC001057882594 737503009 /nfs/dbraw/zinc/50/30/09/737503009.db2.gz VMBIKTSOZDTEJI-CABCVRRESA-N 2 0 342.484 -0.396 20 0 EBADRP CC[C@H](C(=O)N(CCO)CCNC(=O)CCCC[NH+](C)C)[NH+](C)C ZINC001057975241 737571912 /nfs/dbraw/zinc/57/19/12/737571912.db2.gz LITQLWMPAYZOBM-OAHLLOKOSA-N 2 0 344.500 -0.004 20 0 EBADRP CC[C@H](C(=O)NCCN(CCO)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001058157541 737679488 /nfs/dbraw/zinc/67/94/88/737679488.db2.gz APVWRXSSWXFZJN-LSDHHAIUSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001058158128 737680689 /nfs/dbraw/zinc/68/06/89/737680689.db2.gz QLQVFOYHPDQACY-OAHLLOKOSA-N 2 0 342.484 -0.393 20 0 EBADRP CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H](CC)[NH+](C)C)[NH+](C)C ZINC001058168601 737690195 /nfs/dbraw/zinc/69/01/95/737690195.db2.gz MDKSFFLZSYUHKG-KGLIPLIRSA-N 2 0 330.473 -0.396 20 0 EBADRP CC[C@@H](C(=O)N(CCO)CCNC(=O)C(C)(C)[N@H+](C)CC)[NH+](C)C ZINC001058169634 737691438 /nfs/dbraw/zinc/69/14/38/737691438.db2.gz CMNPZOAQUBNXJE-AWEZNQCLSA-N 2 0 344.500 -0.006 20 0 EBADRP CC[C@H](C(=O)NCCN(CCO)C(=O)[C@@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC001058250625 737733181 /nfs/dbraw/zinc/73/31/81/737733181.db2.gz AQPRYMIXPHJMIA-HUUCEWRRSA-N 2 0 344.500 -0.150 20 0 EBADRP CCC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001058252623 737735454 /nfs/dbraw/zinc/73/54/54/737735454.db2.gz QDWDWJQACLWNTO-OAHLLOKOSA-N 2 0 342.484 -0.250 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001058255069 737736388 /nfs/dbraw/zinc/73/63/88/737736388.db2.gz AYAHWAGHJGMTGO-MRXNPFEDSA-N 2 0 342.484 -0.395 20 0 EBADRP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001058709199 737960390 /nfs/dbraw/zinc/96/03/90/737960390.db2.gz LAQUOUHWKVGUMK-UHFFFAOYSA-N 2 0 328.457 -0.641 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058709441 737960429 /nfs/dbraw/zinc/96/04/29/737960429.db2.gz VMVGCSXTAAGDBQ-GASCZTMLSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[C@@H](C(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@H]1C)[NH+](C)C ZINC001058843984 738023267 /nfs/dbraw/zinc/02/32/67/738023267.db2.gz QBNBVZIVAQVFAA-CABCVRRESA-N 2 0 342.484 -0.252 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001058844182 738023822 /nfs/dbraw/zinc/02/38/22/738023822.db2.gz WEFUUUTXBJLPJL-CQSZACIVSA-N 2 0 328.457 -0.641 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001058845350 738025622 /nfs/dbraw/zinc/02/56/22/738025622.db2.gz LGYSDTFVDCUXOP-LSDHHAIUSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001058848296 738030452 /nfs/dbraw/zinc/03/04/52/738030452.db2.gz CPDZQCAKHLINEL-GJZGRUSLSA-N 2 0 342.484 -0.537 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC001058849582 738032694 /nfs/dbraw/zinc/03/26/94/738032694.db2.gz YWGGGEJOFBCGSD-CABCVRRESA-N 2 0 342.484 -0.537 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001064977209 739455421 /nfs/dbraw/zinc/45/54/21/739455421.db2.gz CQTGYORVDAISAN-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)[C@H]2CCC[NH+]2C)CCO1 ZINC001064978023 739456770 /nfs/dbraw/zinc/45/67/70/739456770.db2.gz MBPPWMFSADZXBQ-LSDHHAIUSA-N 2 0 340.468 -0.236 20 0 EBADRP CC[C@@H](C(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1)[NH+](C)C ZINC001065171826 739577087 /nfs/dbraw/zinc/57/70/87/739577087.db2.gz MKBSDEIWHCGCFL-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065172393 739578245 /nfs/dbraw/zinc/57/82/45/739578245.db2.gz YJAMCAZOURCGNH-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP CC[C@@H](C(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1)[NH+](C)C ZINC001065572204 739768754 /nfs/dbraw/zinc/76/87/54/739768754.db2.gz LEYAXYYUFYJNKG-KBPBESRZSA-N 2 0 328.457 -0.378 20 0 EBADRP C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001065576988 739773282 /nfs/dbraw/zinc/77/32/82/739773282.db2.gz ZEENJIUDFINSIE-GOEBONIOSA-N 2 0 340.468 -0.378 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001065611262 739798699 /nfs/dbraw/zinc/79/86/99/739798699.db2.gz BGQOXPFJSNGFNK-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001065614825 739803018 /nfs/dbraw/zinc/80/30/18/739803018.db2.gz YQAFEMPPABJMBP-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001065621200 739808864 /nfs/dbraw/zinc/80/88/64/739808864.db2.gz KHXBNSNVMWRJCA-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(=O)COCC[NH+](C)C ZINC001067009035 740082915 /nfs/dbraw/zinc/08/29/15/740082915.db2.gz GTXMIINKRPHZCB-OAHLLOKOSA-N 2 0 342.484 -0.034 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069013640 740523319 /nfs/dbraw/zinc/52/33/19/740523319.db2.gz QXESZZLBGSACEW-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](n2ccnn2)C1 ZINC001070050480 740675581 /nfs/dbraw/zinc/67/55/81/740675581.db2.gz BPJJMBAITVJRRX-CABCVRRESA-N 2 0 346.439 -0.289 20 0 EBADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1n1ccnn1 ZINC001070226193 740758314 /nfs/dbraw/zinc/75/83/14/740758314.db2.gz UHCKBXUJGUIYOR-ZNMIVQPWSA-N 2 0 348.451 -0.371 20 0 EBADRP C[NH+](C)CCC(=O)NC1(CNC(=O)C[NH+]2CCCC2)CCOCC1 ZINC001070238686 740764698 /nfs/dbraw/zinc/76/46/98/740764698.db2.gz AYGQPGARCLJABS-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP CC[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001070328368 740787973 /nfs/dbraw/zinc/78/79/73/740787973.db2.gz ZGCRYLSVCJLSPS-KFWWJZLASA-N 2 0 336.440 -0.392 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2[NH2+]CCO)c1 ZINC001070499267 740850830 /nfs/dbraw/zinc/85/08/30/740850830.db2.gz KQUOZNLJNVERLB-DZGCQCFKSA-N 2 0 335.452 -0.219 20 0 EBADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cn(C)cn1 ZINC001070555623 740861500 /nfs/dbraw/zinc/86/15/00/740861500.db2.gz JHHJYLPLVIFUSR-IJEWVQPXSA-N 2 0 347.463 -0.219 20 0 EBADRP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CCO ZINC001070660434 740913715 /nfs/dbraw/zinc/91/37/15/740913715.db2.gz DUEJGXIKVHZFHA-RBSFLKMASA-N 2 0 335.452 -0.219 20 0 EBADRP Cn1cncc1[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(N)=O ZINC001070710574 740924338 /nfs/dbraw/zinc/92/43/38/740924338.db2.gz HTKNASRVDPCNKM-BFHYXJOUSA-N 2 0 348.451 -0.869 20 0 EBADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001070718747 740927394 /nfs/dbraw/zinc/92/73/94/740927394.db2.gz HFBSMTANFFGHHM-RRFJBIMHSA-N 2 0 335.452 -0.219 20 0 EBADRP C[C@H](O)CN1CCNC(=O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001070975724 741011056 /nfs/dbraw/zinc/01/10/56/741011056.db2.gz YJMODXFDVWTDAU-GJZGRUSLSA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@H](O)CN1CCNC(=O)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001070975726 741011078 /nfs/dbraw/zinc/01/10/78/741011078.db2.gz YJMODXFDVWTDAU-LSDHHAIUSA-N 2 0 340.468 -0.498 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCO)CC2)C1 ZINC001071104407 741060491 /nfs/dbraw/zinc/06/04/91/741060491.db2.gz WAOLGMSQMQHZJK-OAGGEKHMSA-N 2 0 325.453 -0.084 20 0 EBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001072678170 741459528 /nfs/dbraw/zinc/45/95/28/741459528.db2.gz YVRZZZVRFRLXIV-UONOGXRCSA-N 2 0 328.457 -0.521 20 0 EBADRP CNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001072740865 741469338 /nfs/dbraw/zinc/46/93/38/741469338.db2.gz NCTLQCIMESSZIB-ZFWWWQNUSA-N 2 0 334.464 -0.003 20 0 EBADRP CNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001072740863 741469376 /nfs/dbraw/zinc/46/93/76/741469376.db2.gz NCTLQCIMESSZIB-HIFRSBDPSA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC001073087324 741556755 /nfs/dbraw/zinc/55/67/55/741556755.db2.gz PTWVKJDOXMNJPK-CYBMUJFWSA-N 2 0 338.452 -0.495 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC3(C2)CC[NH+]([C@@H]2CCC(=O)NC2=O)C3)C1 ZINC001073127121 741565884 /nfs/dbraw/zinc/56/58/84/741565884.db2.gz AHAGHJDUMKKPHB-UONOGXRCSA-N 2 0 348.447 -0.332 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCCO)CCCO2)C1 ZINC001073740064 741728298 /nfs/dbraw/zinc/72/82/98/741728298.db2.gz BFELQJVXMADAPU-CVEARBPZSA-N 2 0 343.468 -0.315 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001074713059 742083656 /nfs/dbraw/zinc/08/36/56/742083656.db2.gz GXJYHRMZXWYSBV-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001075042198 742166213 /nfs/dbraw/zinc/16/62/13/742166213.db2.gz BFWBTARJXHHPGX-KKUMJFAQSA-N 2 0 337.468 -0.068 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001075619600 742262431 /nfs/dbraw/zinc/26/24/31/742262431.db2.gz JJWZHCRNYORQJE-SOUVJXGZSA-N 2 0 348.447 -0.238 20 0 EBADRP C[N@H+](CC(=O)N1CC[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)C1CCC1 ZINC001075887226 742320644 /nfs/dbraw/zinc/32/06/44/742320644.db2.gz BTJRONZIVZIXRK-NWANDNLSSA-N 2 0 348.447 -0.191 20 0 EBADRP CC[C@H](C(=O)N1CCCO[C@H](C[NH2+]Cc2cnnn2C)C1)[NH+](C)C ZINC001078420516 743641129 /nfs/dbraw/zinc/64/11/29/743641129.db2.gz QUIVHAALQNGLEK-HUUCEWRRSA-N 2 0 338.456 -0.138 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C23CCC3)n1 ZINC001078629764 743712567 /nfs/dbraw/zinc/71/25/67/743712567.db2.gz OTGDHMPMNSOQCU-KGLIPLIRSA-N 2 0 348.451 -0.439 20 0 EBADRP Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001078811963 743737593 /nfs/dbraw/zinc/73/75/93/743737593.db2.gz BWONEHFZZIISMY-QWHCGFSZSA-N 2 0 333.440 -0.177 20 0 EBADRP Cn1nnnc1C[NH2+][C@H]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000981460740 806176023 /nfs/dbraw/zinc/17/60/23/806176023.db2.gz FLPFYLPYVRXJJP-STQMWFEESA-N 2 0 333.440 -0.177 20 0 EBADRP Cn1nnnc1C[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000981460732 806176076 /nfs/dbraw/zinc/17/60/76/806176076.db2.gz FLPFYLPYVRXJJP-CHWSQXEVSA-N 2 0 333.440 -0.177 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)nc1=O ZINC000981461749 806176216 /nfs/dbraw/zinc/17/62/16/806176216.db2.gz KTUDKHZJXSSOQU-QWHCGFSZSA-N 2 0 348.451 -0.279 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCC[N@H+](CCN3CCNC3=O)CC2)CC1 ZINC000981872332 806310405 /nfs/dbraw/zinc/31/04/05/806310405.db2.gz HOWPDOXZTGFOHU-UHFFFAOYSA-N 2 0 337.468 -0.112 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@]3(C)C[NH+]([C@H]4CCNC4=O)C[C@]3(C)C2)C1 ZINC000982798302 806712757 /nfs/dbraw/zinc/71/27/57/806712757.db2.gz MYNNIAPNGIHEBL-DFEHZGFQSA-N 2 0 334.464 -0.003 20 0 EBADRP C[NH+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000976869932 803924469 /nfs/dbraw/zinc/92/44/69/803924469.db2.gz SPOUWYYRYVKYDE-NBFUAULTSA-N 2 0 334.464 -0.147 20 0 EBADRP CC1(C)C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000977480814 804347896 /nfs/dbraw/zinc/34/78/96/804347896.db2.gz WVLSPTBQDYZFAS-CQSZACIVSA-N 2 0 349.479 -0.066 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)CC1 ZINC000978684126 804923329 /nfs/dbraw/zinc/92/33/29/804923329.db2.gz ZFSJQGZKGLPUKD-PHZGNYQRSA-N 2 0 332.452 -0.086 20 0 EBADRP O=C(C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)NC1CC1 ZINC000978966009 805065197 /nfs/dbraw/zinc/06/51/97/805065197.db2.gz XYANREMGIAVTFE-QKDCVEJESA-N 2 0 332.448 -0.345 20 0 EBADRP CCN1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)C1 ZINC000979076692 805123687 /nfs/dbraw/zinc/12/36/87/805123687.db2.gz ZMSLNKMVKCNOBR-LVQVYYBASA-N 2 0 348.451 -0.707 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC000983323379 806986449 /nfs/dbraw/zinc/98/64/49/806986449.db2.gz UADWIEFQJUAEPD-KBUPBQIOSA-N 2 0 343.493 0.000 20 0 EBADRP O=C(N[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000983690223 807083520 /nfs/dbraw/zinc/08/35/20/807083520.db2.gz ARJRABRGYHDCLG-NMFUWQPSSA-N 2 0 348.447 -0.382 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)CC[N@@H+]1C ZINC000983708586 807086883 /nfs/dbraw/zinc/08/68/83/807086883.db2.gz LDEXZPQNRBCCKN-KSTCHIGDSA-N 2 0 336.436 -0.384 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC000984802494 807391132 /nfs/dbraw/zinc/39/11/32/807391132.db2.gz BEPJHYXMURASIV-XUXIUFHCSA-N 2 0 336.436 -0.382 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H](C[NH2+]Cc2nnc3n2CCOC3)C1 ZINC000985123811 807449056 /nfs/dbraw/zinc/44/90/56/807449056.db2.gz SHIKRPVUUZAFAJ-HDJSIYSDSA-N 2 0 348.451 -0.112 20 0 EBADRP C[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989390975 808464150 /nfs/dbraw/zinc/46/41/50/808464150.db2.gz PVMBAFJOSBTBRV-DZGCQCFKSA-N 2 0 337.468 -0.068 20 0 EBADRP C[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)CN1C(=O)C[NH+]1CCCC1 ZINC000989796082 808597256 /nfs/dbraw/zinc/59/72/56/808597256.db2.gz HEWOFWIREBITAZ-KBPBESRZSA-N 2 0 336.436 -0.190 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000991481658 809543588 /nfs/dbraw/zinc/54/35/88/809543588.db2.gz IZXCIOHYNUHFCB-CABCVRRESA-N 2 0 338.452 -0.744 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2=CC[NH+](CCN3C(=O)CNC3=O)CC2)C1 ZINC001001447552 809678363 /nfs/dbraw/zinc/67/83/63/809678363.db2.gz CGFUDSDITDXFOB-CQSZACIVSA-N 2 0 349.435 -0.762 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001002472404 809723746 /nfs/dbraw/zinc/72/37/46/809723746.db2.gz ALHYWNOMJKSTPU-CYBMUJFWSA-N 2 0 337.424 -0.787 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001214969178 810294573 /nfs/dbraw/zinc/29/45/73/810294573.db2.gz JZCJAWNQSNHIBV-UPJWGTAASA-N 2 0 339.440 -0.637 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001215461159 810331544 /nfs/dbraw/zinc/33/15/44/810331544.db2.gz UKBLVNIYGNTBAM-CHWSQXEVSA-N 2 0 334.486 -0.734 20 0 EBADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001216090164 810358413 /nfs/dbraw/zinc/35/84/13/810358413.db2.gz AYYWXNCDYPLQTF-IJEWVQPXSA-N 2 0 343.468 -0.459 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001216230225 810363877 /nfs/dbraw/zinc/36/38/77/810363877.db2.gz YHCMDFOUJNQRTN-JHJVBQTASA-N 2 0 341.456 -0.391 20 0 EBADRP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216401897 810371485 /nfs/dbraw/zinc/37/14/85/810371485.db2.gz QJEUWGNOBOPPGT-ZIAGYGMSSA-N 2 0 328.457 -0.473 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+][C@H]1CCCN(C)C1=O ZINC001216402169 810372566 /nfs/dbraw/zinc/37/25/66/810372566.db2.gz WGBZPSLIXGSRKS-QLFBSQMISA-N 2 0 340.468 -0.378 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001216402320 810372943 /nfs/dbraw/zinc/37/29/43/810372943.db2.gz ZICONNFOWAYTLR-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001216506628 810375189 /nfs/dbraw/zinc/37/51/89/810375189.db2.gz KYVJJYXDCDMYHV-MGPQQGTHSA-N 2 0 338.452 -0.040 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754007 810386011 /nfs/dbraw/zinc/38/60/11/810386011.db2.gz DFVSPPBCMZZXAU-QLFBSQMISA-N 2 0 340.468 -0.473 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216754519 810386209 /nfs/dbraw/zinc/38/62/09/810386209.db2.gz YRJBJNFIFHSCHA-CHWSQXEVSA-N 2 0 339.440 -0.636 20 0 EBADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1C[C@H]2C[C@@H]1C[NH2+]2 ZINC001218112392 810477360 /nfs/dbraw/zinc/47/73/60/810477360.db2.gz OPTOSJOJAWCUOH-OPRDCNLKSA-N 2 0 336.392 -0.110 20 0 EBADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1C[NH2+]CC[C@H]1F ZINC001218319739 810486122 /nfs/dbraw/zinc/48/61/22/810486122.db2.gz ZGHUTCTXHDCYEB-BDAKNGLRSA-N 2 0 342.371 -0.161 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1cccnc1-n1cccn1 ZINC001218501594 810495796 /nfs/dbraw/zinc/49/57/96/810495796.db2.gz IYXRAENLSYUDBO-ZDUSSCGKSA-N 2 0 329.408 -0.044 20 0 EBADRP N=c1scc(N)n1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218540403 810499300 /nfs/dbraw/zinc/49/93/00/810499300.db2.gz DPGITGDSMDBGPE-UWVGGRQHSA-N 2 0 340.453 -0.301 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC001218551167 810501139 /nfs/dbraw/zinc/50/11/39/810501139.db2.gz HGXNHZUZLKNTDN-HNNXBMFYSA-N 2 0 348.451 -0.393 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C1 ZINC001218550776 810501650 /nfs/dbraw/zinc/50/16/50/810501650.db2.gz NJQVCNLOFDIUGK-QLFBSQMISA-N 2 0 341.452 -0.753 20 0 EBADRP CN1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)CCC[NH+](C)C)[C@H]3C2)C1=O ZINC001218558277 810502142 /nfs/dbraw/zinc/50/21/42/810502142.db2.gz WXRNWFJVPDEVSK-QLFBSQMISA-N 2 0 338.452 -0.530 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1cncc(N2CCOCC2)n1 ZINC001218575039 810505181 /nfs/dbraw/zinc/50/51/81/810505181.db2.gz AKGLHONQKILZBS-CYBMUJFWSA-N 2 0 349.439 -0.998 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C[C@H](O)CN2CCCC2=O)C1 ZINC001015516450 810508989 /nfs/dbraw/zinc/50/89/89/810508989.db2.gz DAAJLHXKKDDHHI-QLFBSQMISA-N 2 0 338.452 -0.746 20 0 EBADRP CC[C@@H](C(=O)N1CCO[C@@H]2CN(C[C@H](O)COC)C[C@@H]21)[NH+](C)C ZINC001218644872 810515381 /nfs/dbraw/zinc/51/53/81/810515381.db2.gz ABRQPZKLSZVDHT-ZQDZILKHSA-N 2 0 329.441 -0.755 20 0 EBADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001218641496 810515537 /nfs/dbraw/zinc/51/55/37/810515537.db2.gz RNSRDVYACFEHMG-KBPBESRZSA-N 2 0 332.408 -0.291 20 0 EBADRP Nc1cccnc1N(C(=O)[C@@H]([NH3+])Cn1cccn1)C1CC[NH2+]CC1 ZINC001218695582 810520282 /nfs/dbraw/zinc/52/02/82/810520282.db2.gz ZYKKUDVZLJZCQT-AWEZNQCLSA-N 2 0 329.408 -0.027 20 0 EBADRP Nc1cccnc1N(C(=O)[C@]12C[NH2+]C[C@H]1COC2)C1CC[NH2+]CC1 ZINC001218694879 810520305 /nfs/dbraw/zinc/52/03/05/810520305.db2.gz DOIVRCKYFMMUBH-SJCJKPOMSA-N 2 0 331.420 -0.015 20 0 EBADRP CCOC(=O)c1nc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cn1C ZINC001218709992 810522786 /nfs/dbraw/zinc/52/27/86/810522786.db2.gz NHJANRAQEGHURE-NSHDSACASA-N 2 0 338.412 -0.714 20 0 EBADRP [NH3+]C1CCN(c2ccc(NC(=O)[C@@H]3NC(=O)CC34C[NH2+]C4)cn2)CC1 ZINC001218724899 810523674 /nfs/dbraw/zinc/52/36/74/810523674.db2.gz OWSBAQLQJDJVBD-HNNXBMFYSA-N 2 0 344.419 -0.574 20 0 EBADRP NC(=O)CC[C@H]([NH3+])CC(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218725550 810523824 /nfs/dbraw/zinc/52/38/24/810523824.db2.gz XFXUKMUMWWKVKD-LBPRGKRZSA-N 2 0 334.424 -0.070 20 0 EBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218727691 810524230 /nfs/dbraw/zinc/52/42/30/810524230.db2.gz OPCCSSARXMMQBO-DMDKVIGKSA-N 2 0 326.422 -0.143 20 0 EBADRP CCOC(=O)c1ncc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cn1 ZINC001218757640 810528041 /nfs/dbraw/zinc/52/80/41/810528041.db2.gz URCZWLXABLZMSZ-GFCCVEGCSA-N 2 0 336.396 -0.658 20 0 EBADRP C[C@@H](C[NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218778029 810531029 /nfs/dbraw/zinc/53/10/29/810531029.db2.gz GUWIKIRIFUJZNH-LPEHRKFASA-N 2 0 342.831 -0.775 20 0 EBADRP C[NH2+]CCC(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218777007 810531104 /nfs/dbraw/zinc/53/11/04/810531104.db2.gz NWKPPKFLUWSJPJ-NXEZZACHSA-N 2 0 342.831 -0.761 20 0 EBADRP C[NH2+][C@@H](C)C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218775056 810531203 /nfs/dbraw/zinc/53/12/03/810531203.db2.gz FAKLLYHHXZKTLU-AEJSXWLSSA-N 2 0 342.831 -0.762 20 0 EBADRP O=C(CN1CC[NH2+]CC1)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001218874909 810539062 /nfs/dbraw/zinc/53/90/62/810539062.db2.gz ZNSNQAHMVSOWMP-UHFFFAOYSA-N 2 0 347.463 -0.355 20 0 EBADRP COc1cc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c(C(N)=O)cc1OC ZINC001218968600 810549104 /nfs/dbraw/zinc/54/91/04/810549104.db2.gz IPYRXSZRIHALHB-SNVBAGLBSA-N 2 0 334.376 -0.450 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](C[C@H](O)COC)C[C@@H]21 ZINC001219004810 810554051 /nfs/dbraw/zinc/55/40/51/810554051.db2.gz VQYSMLHIRKZHOC-HRCADAONSA-N 2 0 343.468 -0.363 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C2)CC1 ZINC001015655552 810555910 /nfs/dbraw/zinc/55/59/10/810555910.db2.gz SCXQHSQUVMDTEA-JKSUJKDBSA-N 2 0 335.452 -0.224 20 0 EBADRP O=C(N[C@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001016000440 810649166 /nfs/dbraw/zinc/64/91/66/810649166.db2.gz BMJNKAAVDAHVHH-LSDHHAIUSA-N 2 0 333.436 -0.470 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](CCN3C(=O)CCC3=O)C2)C1 ZINC001015999818 810649454 /nfs/dbraw/zinc/64/94/54/810649454.db2.gz XBQPOQLTCUMGJW-KGLIPLIRSA-N 2 0 336.436 -0.332 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC001016251741 810713135 /nfs/dbraw/zinc/71/31/35/810713135.db2.gz NMEULWYUPDVJEE-CYBMUJFWSA-N 2 0 337.424 -0.785 20 0 EBADRP COc1cc2c(cc1NC(=O)C[C@@H](O)C[NH3+])NC(=O)[C@@]21CC[NH2+]C1 ZINC001219497424 810721684 /nfs/dbraw/zinc/72/16/84/810721684.db2.gz CHSSRPRPXPMFMA-JDNHERCYSA-N 2 0 334.376 -0.473 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@H]1C[NH2+]CCO1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219501104 810724536 /nfs/dbraw/zinc/72/45/36/810724536.db2.gz PEKXKVKIPRZTLM-RHSMWYFYSA-N 2 0 346.387 -0.195 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@H](C[NH3+])OC)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219504184 810726173 /nfs/dbraw/zinc/72/61/73/810726173.db2.gz QNJYQKJKNMGMPA-XJKSGUPXSA-N 2 0 334.376 -0.209 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@@H]1C[NH2+]C[C@H]1O)NC(=O)[C@]21CC[NH2+]C1 ZINC001219504622 810726390 /nfs/dbraw/zinc/72/63/90/810726390.db2.gz VOXPXVQBSUTVOK-KRVQHAQSSA-N 2 0 346.387 -0.603 20 0 EBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001219616765 810771817 /nfs/dbraw/zinc/77/18/17/810771817.db2.gz CLCNRRSOFDLKEQ-OCVGTWLNSA-N 2 0 329.416 -0.286 20 0 EBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1csc(N2CC[NH2+]CC2)n1 ZINC001219624179 810774999 /nfs/dbraw/zinc/77/49/99/810774999.db2.gz FGWSTOQADFWNDW-SMDDNHRTSA-N 2 0 343.428 -0.655 20 0 EBADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001033663660 810780976 /nfs/dbraw/zinc/78/09/76/810780976.db2.gz XDYWSBVZMKNHFN-QWHCGFSZSA-N 2 0 337.424 -0.977 20 0 EBADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001033663224 810781245 /nfs/dbraw/zinc/78/12/45/810781245.db2.gz UPLOKBFIAUHKBD-UONOGXRCSA-N 2 0 336.436 -0.380 20 0 EBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001219635979 810782150 /nfs/dbraw/zinc/78/21/50/810782150.db2.gz UJBUCODZVUDEOC-NDBFUVGKSA-N 2 0 332.379 -0.088 20 0 EBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219714012 810804995 /nfs/dbraw/zinc/80/49/95/810804995.db2.gz DEMYIJCASVTXPO-YYHQMBLXSA-N 2 0 346.497 -0.953 20 0 EBADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743583 810819885 /nfs/dbraw/zinc/81/98/85/810819885.db2.gz HGUVJYZNXFMKPM-MELADBBJSA-N 2 0 325.409 -0.445 20 0 EBADRP CC(C)(C)[N@@H+]1CCN[C@H](C(=O)NCc2nnc3n2CCC[NH2+]C3)C1 ZINC001219749358 810823539 /nfs/dbraw/zinc/82/35/39/810823539.db2.gz LRVWZWLKCZFWAZ-LBPRGKRZSA-N 2 0 335.456 -0.540 20 0 EBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219766259 810831055 /nfs/dbraw/zinc/83/10/55/810831055.db2.gz OOPIXEWRRURTEE-PMPSAXMXSA-N 3 0 325.501 -0.108 20 0 EBADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001219765890 810832250 /nfs/dbraw/zinc/83/22/50/810832250.db2.gz GSBHJVFLXMQEHS-NCOADZHNSA-N 2 0 335.496 -0.387 20 0 EBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001219788981 810840531 /nfs/dbraw/zinc/84/05/31/810840531.db2.gz ULYFVTOXRZKMAG-UZRORNOBSA-N 2 0 326.466 -0.190 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001219790899 810842628 /nfs/dbraw/zinc/84/26/28/810842628.db2.gz MFEZHSNWRJXNOT-WMLDXEAASA-N 3 0 348.495 -0.536 20 0 EBADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001219801145 810849351 /nfs/dbraw/zinc/84/93/51/810849351.db2.gz UKRWFKCBSDKVQK-XHSDSOJGSA-N 2 0 336.480 -0.055 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)C1CC1 ZINC001219805886 810852827 /nfs/dbraw/zinc/85/28/27/810852827.db2.gz VNCJMBUUYKARKD-OWCLPIDISA-N 2 0 325.453 -0.086 20 0 EBADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001219812930 810857098 /nfs/dbraw/zinc/85/70/98/810857098.db2.gz LSGGVJACWMEDAG-VBQJREDUSA-N 2 0 345.447 -0.514 20 0 EBADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)c1cccnc1N1CC[NH2+]CC1 ZINC001219814732 810858022 /nfs/dbraw/zinc/85/80/22/810858022.db2.gz KSXRUGYRXVIRDD-GUYCJALGSA-N 2 0 331.420 -0.543 20 0 EBADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001219812931 810858492 /nfs/dbraw/zinc/85/84/92/810858492.db2.gz LSGGVJACWMEDAG-ZQIUZPCESA-N 2 0 345.447 -0.514 20 0 EBADRP [NH3+][C@H](CC(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)Cc1ccncc1 ZINC001219833719 810868738 /nfs/dbraw/zinc/86/87/38/810868738.db2.gz HSYUGQCWILDIAJ-XYJFISCASA-N 2 0 348.447 -0.147 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219834896 810869558 /nfs/dbraw/zinc/86/95/58/810869558.db2.gz UFNWYIUHXOKGIA-DZKIICNBSA-N 3 0 328.457 -0.785 20 0 EBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1C[NH2+]C[C@@H]2CCO[C@@H]21 ZINC001219836673 810870612 /nfs/dbraw/zinc/87/06/12/810870612.db2.gz BUIVQQKBFKHBQC-NMNMXBMNSA-N 2 0 339.436 -0.878 20 0 EBADRP N[C@@H](C[NH3+])c1ccc(C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)cc1 ZINC001219844977 810875689 /nfs/dbraw/zinc/87/56/89/810875689.db2.gz STSPMCCYLUUMMW-SKDZVZGDSA-N 2 0 348.447 -0.230 20 0 EBADRP O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)c1csc(N2CC[NH2+]CC2)n1 ZINC001219850256 810878171 /nfs/dbraw/zinc/87/81/71/810878171.db2.gz PKWOKLJNBBUTEJ-GMXVVIOVSA-N 2 0 337.449 -0.198 20 0 EBADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001219853991 810881013 /nfs/dbraw/zinc/88/10/13/810881013.db2.gz AULIPKJRQBTQEW-YIYPIFLZSA-N 2 0 331.420 -0.763 20 0 EBADRP NC(=O)NCCC[C@H]([NH3+])C(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219929343 810912385 /nfs/dbraw/zinc/91/23/85/810912385.db2.gz KEOGGKDCLRANBR-AWEZNQCLSA-N 2 0 348.451 -0.059 20 0 EBADRP COC(=O)C1(NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ncccc23)CC[NH2+]CC1 ZINC001220001545 810942194 /nfs/dbraw/zinc/94/21/94/810942194.db2.gz RYHJOAQOXPWPLT-ZDUSSCGKSA-N 2 0 345.403 -0.156 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1ccncn1 ZINC001220005002 810943598 /nfs/dbraw/zinc/94/35/98/810943598.db2.gz MXBHQZDJHYXXJA-KBPBESRZSA-N 2 0 334.424 -0.460 20 0 EBADRP COC(=O)[C@H](CCSC)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220079459 810972855 /nfs/dbraw/zinc/97/28/55/810972855.db2.gz MEIHJOCLCQPWRY-NEPJUHHUSA-N 2 0 332.470 -0.852 20 0 EBADRP O=C(NCCC1CCS(=O)(=O)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220141039 810999243 /nfs/dbraw/zinc/99/92/43/810999243.db2.gz FICIGWAMJPWLFT-UKRRQHHQSA-N 2 0 329.466 -0.483 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220161503 811004517 /nfs/dbraw/zinc/00/45/17/811004517.db2.gz CSLZWVHKVXUDRN-OCCSQVGLSA-N 2 0 332.470 -0.755 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001220273580 811041319 /nfs/dbraw/zinc/04/13/19/811041319.db2.gz ODRAVSQSQCDDTL-KGLIPLIRSA-N 2 0 326.441 -0.888 20 0 EBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220315928 811053276 /nfs/dbraw/zinc/05/32/76/811053276.db2.gz KKTFXHWYAOAEHC-OBJOEFQTSA-N 2 0 330.454 -0.832 20 0 EBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001220335688 811059188 /nfs/dbraw/zinc/05/91/88/811059188.db2.gz QNESEMCDMBOFOV-ZBFHGGJFSA-N 2 0 325.501 -0.027 20 0 EBADRP NC(=[NH2+])N(C(=O)[C@@]1(N)CCC[NH2+]C1)c1ccc(N2CCOCC2)cc1 ZINC001220460254 811117271 /nfs/dbraw/zinc/11/72/71/811117271.db2.gz GDAGLAHMJGRBME-QGZVFWFLSA-N 2 0 346.435 -0.169 20 0 EBADRP CN(CC[NH3+])CCNC(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001220517230 811134687 /nfs/dbraw/zinc/13/46/87/811134687.db2.gz BGXQGUSSGKCHGZ-JTQLQIEISA-N 2 0 341.378 -0.831 20 0 EBADRP [NH3+]CCOCCOCCNC(=O)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001220519166 811135832 /nfs/dbraw/zinc/13/58/32/811135832.db2.gz DXKMEXMSALIIKT-HOTGVXAUSA-N 2 0 339.436 -0.585 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])CSCNC(C)=O)CC[NH2+]C1 ZINC001220523486 811138373 /nfs/dbraw/zinc/13/83/73/811138373.db2.gz PFYVHXVZIYLGTF-NSHDSACASA-N 2 0 344.437 -0.933 20 0 EBADRP CC(C)([NH3+])CN(C(=O)[C@@H]1C[NH2+]C[C@@H]1O)S(=O)(=O)c1ccccc1 ZINC001220535571 811143399 /nfs/dbraw/zinc/14/33/99/811143399.db2.gz GCTZWBWMMMARNL-OLZOCXBDSA-N 2 0 341.433 -0.479 20 0 EBADRP CC(C)([NH3+])CN(C(=O)[C@H]1C[NH2+]C[C@@H]1O)S(=O)(=O)c1ccccc1 ZINC001220535573 811144621 /nfs/dbraw/zinc/14/46/21/811144621.db2.gz GCTZWBWMMMARNL-STQMWFEESA-N 2 0 341.433 -0.479 20 0 EBADRP CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220565904 811158504 /nfs/dbraw/zinc/15/85/04/811158504.db2.gz USDXDOANCHQGQC-UONOGXRCSA-N 2 0 332.404 -0.519 20 0 EBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001220583060 811165429 /nfs/dbraw/zinc/16/54/29/811165429.db2.gz CCUFOYOUXHGECZ-XJKSGUPXSA-N 2 0 327.425 -0.114 20 0 EBADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001220651194 811188651 /nfs/dbraw/zinc/18/86/51/811188651.db2.gz GFYNOFVAJMTTSK-YJBOKZPZSA-N 2 0 329.448 -0.336 20 0 EBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220651943 811189813 /nfs/dbraw/zinc/18/98/13/811189813.db2.gz RZJREIZPSWRJCV-LFVRLGFBSA-N 2 0 338.477 -0.192 20 0 EBADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220652082 811190142 /nfs/dbraw/zinc/19/01/42/811190142.db2.gz ULIGPPATZFIJKM-STQMWFEESA-N 2 0 333.436 -0.436 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220688982 811204164 /nfs/dbraw/zinc/20/41/64/811204164.db2.gz YNVXYRINXCKLKI-KFWWJZLASA-N 2 0 340.468 -0.594 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCC(C)C)C[C@@H]1O ZINC001220689525 811204895 /nfs/dbraw/zinc/20/48/95/811204895.db2.gz KCFVFPIKCWUBSQ-OAGGEKHMSA-N 2 0 345.484 -0.477 20 0 EBADRP O=C(N[C@H]1CCC(=O)N[C@H]1c1ccccc1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220727461 811220641 /nfs/dbraw/zinc/22/06/41/811220641.db2.gz GYOFLXNIXSDMQD-DZKIICNBSA-N 2 0 328.416 -0.069 20 0 EBADRP O=C(NC[C@H]1CN(c2ccccc2)CCO1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220736998 811223764 /nfs/dbraw/zinc/22/37/64/811223764.db2.gz YWYZZYKDSKOQCY-HOTGVXAUSA-N 2 0 330.432 -0.183 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1O ZINC001220764141 811232637 /nfs/dbraw/zinc/23/26/37/811232637.db2.gz ALZAUKFTPXQFIM-SJORKVTESA-N 2 0 335.448 -0.031 20 0 EBADRP [NH3+][C@@]12CC[C@@](NC(=O)[C@H]3CCS(=O)(=O)C34C[NH2+]C4)(C1)CCC2 ZINC001220777229 811237444 /nfs/dbraw/zinc/23/74/44/811237444.db2.gz JFSCXSXQBQSHTP-KWCYVHTRSA-N 2 0 327.450 -0.317 20 0 EBADRP NC(=O)NCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220786026 811241130 /nfs/dbraw/zinc/24/11/30/811241130.db2.gz KMWUCVRTCDDNEZ-MELADBBJSA-N 2 0 334.424 -0.376 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220793611 811245458 /nfs/dbraw/zinc/24/54/58/811245458.db2.gz FVYAHPKXRSUQCR-HYVNUMGLSA-N 3 0 346.479 -0.401 20 0 EBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220805484 811248501 /nfs/dbraw/zinc/24/85/01/811248501.db2.gz SEBNNOFPHRQOAM-VLEAKVRGSA-N 2 0 336.358 -0.019 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)n1cc(Br)ccc1=NCC[NH3+] ZINC001220871002 811275748 /nfs/dbraw/zinc/27/57/48/811275748.db2.gz RIWBLMKXWVDXNG-JTQLQIEISA-N 3 0 330.230 -0.184 20 0 EBADRP [NH3+]CCCNCC(=O)n1cc(Br)ccc1=NCC[NH3+] ZINC001220870615 811276683 /nfs/dbraw/zinc/27/66/83/811276683.db2.gz MSAVNPSFQLQAOS-UHFFFAOYSA-N 2 0 330.230 -0.311 20 0 EBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220903336 811288407 /nfs/dbraw/zinc/28/84/07/811288407.db2.gz QHHBYPRPLUTYPS-LBPRGKRZSA-N 3 0 333.437 -0.854 20 0 EBADRP O=C(CNC(=O)[C@H]1C[NH2+]C[C@@H]1O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220901406 811288840 /nfs/dbraw/zinc/28/88/40/811288840.db2.gz YNCJBVCESFLCEY-GJZGRUSLSA-N 2 0 338.452 -0.840 20 0 EBADRP N=c1ncc(C[NH3+])cn1C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001220950638 811306714 /nfs/dbraw/zinc/30/67/14/811306714.db2.gz ARYRMOFSRABMEA-VIFPVBQESA-N 2 0 348.329 -0.362 20 0 EBADRP N=c1ncc(C[NH3+])cn1C(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC001220951007 811307838 /nfs/dbraw/zinc/30/78/38/811307838.db2.gz NAYRIVUXDLMUPM-ZDUSSCGKSA-N 2 0 328.376 -0.852 20 0 EBADRP O=C(NC1CN(c2ncnc3ccccc32)C1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220985323 811324961 /nfs/dbraw/zinc/32/49/61/811324961.db2.gz RBDMQVUSOIIDFK-CQSZACIVSA-N 2 0 338.415 -0.256 20 0 EBADRP [NH3+]CCC[NH2+]CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCCO2)CC1 ZINC001221003722 811340059 /nfs/dbraw/zinc/34/00/59/811340059.db2.gz FHTNEGKXIFGDIQ-IHRRRGAJSA-N 2 0 326.441 -0.353 20 0 EBADRP COC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C1CC1 ZINC001221012759 811344540 /nfs/dbraw/zinc/34/45/40/811344540.db2.gz AWBVHGRUOUXHMA-ZNMIVQPWSA-N 2 0 340.468 -0.025 20 0 EBADRP O=C(NCc1cn(Cc2ccncc2)cn1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221025660 811351489 /nfs/dbraw/zinc/35/14/89/811351489.db2.gz BOCOEBILFBPKHH-HNNXBMFYSA-N 2 0 326.404 -0.248 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)C[NH+]2CCCC2)nc1=O ZINC001037127717 811371702 /nfs/dbraw/zinc/37/17/02/811371702.db2.gz XCKRMMSVZPAOKI-OLZOCXBDSA-N 2 0 336.440 -0.421 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1ccn(CC(F)(F)F)n1 ZINC001221108572 811382227 /nfs/dbraw/zinc/38/22/27/811382227.db2.gz ZKFXIWVWGYKFCK-LBPRGKRZSA-N 2 0 348.373 -0.188 20 0 EBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221114038 811382863 /nfs/dbraw/zinc/38/28/63/811382863.db2.gz KTAKTIUWCFBXQO-ZAMGYDSWSA-N 2 0 338.477 -0.085 20 0 EBADRP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001221114076 811383781 /nfs/dbraw/zinc/38/37/81/811383781.db2.gz MDDQITYCEAOHMG-OAHLLOKOSA-N 2 0 343.431 -0.703 20 0 EBADRP COCC1(CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CCOCC1 ZINC001221176923 811407303 /nfs/dbraw/zinc/40/73/03/811407303.db2.gz UGGZWNSNGRFNTI-CQSZACIVSA-N 2 0 328.457 -0.704 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001221190504 811412769 /nfs/dbraw/zinc/41/27/69/811412769.db2.gz PXCPQHOMAQYTHX-KKUMJFAQSA-N 2 0 337.420 -0.296 20 0 EBADRP C[C@@]1([NH3+])C[C@H](NC(=O)c2cnn3c2nccc3[C@@H]2C[NH2+]CCO2)C1 ZINC001221241054 811423492 /nfs/dbraw/zinc/42/34/92/811423492.db2.gz MQFLKWUUUZJIIQ-YNZJMPHRSA-N 2 0 330.392 0.000 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCOC[C@@H]1F ZINC001221244213 811424644 /nfs/dbraw/zinc/42/46/44/811424644.db2.gz RUMODGJQBZIURU-FQUUOJAGSA-N 2 0 344.431 -0.323 20 0 EBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001221254188 811428077 /nfs/dbraw/zinc/42/80/77/811428077.db2.gz IQDJEPGKAGEBLJ-KKUMJFAQSA-N 3 0 339.484 -0.498 20 0 EBADRP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)[C@@H](N)C[NH3+])S(C)(=O)=O)c(F)c1 ZINC001221259980 811429210 /nfs/dbraw/zinc/42/92/10/811429210.db2.gz DBZIUUGSWLESPH-LDWIPMOCSA-N 2 0 336.364 -0.437 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001221331040 811443551 /nfs/dbraw/zinc/44/35/51/811443551.db2.gz BSMIKYJHBRMBIT-AWEZNQCLSA-N 2 0 340.449 -0.881 20 0 EBADRP NC1=CC=C(C2CCN(C(=O)[C@@H]3NC(=O)CC34C[NH2+]C4)CC2)[NH2+]C1 ZINC001221391327 811448800 /nfs/dbraw/zinc/44/88/00/811448800.db2.gz LNTTZVWVCTWFJH-HNNXBMFYSA-N 2 0 331.420 -0.967 20 0 EBADRP CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC(C2=CC=C(N)C[NH2+]2)CC1 ZINC001221391185 811449124 /nfs/dbraw/zinc/44/91/24/811449124.db2.gz CNQVCGHNOWQORV-HOCLYGCPSA-N 2 0 334.420 -0.294 20 0 EBADRP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)CN(CC[NH3+])S(C)(=O)=O)CC1 ZINC001221394972 811449454 /nfs/dbraw/zinc/44/94/54/811449454.db2.gz KUOXXZODCGYBEL-OKILXGFUSA-N 2 0 348.513 -0.024 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001221397829 811450883 /nfs/dbraw/zinc/45/08/83/811450883.db2.gz OARVAFFFOCASRW-AWEZNQCLSA-N 2 0 340.449 -0.963 20 0 EBADRP CC(C)[N@@H+]1CC[C@H](NC(=O)CN(CC[NH3+])S(C)(=O)=O)[C@@H](C)C1 ZINC001221409952 811452316 /nfs/dbraw/zinc/45/23/16/811452316.db2.gz VZROIPXFXYZYAU-STQMWFEESA-N 2 0 334.486 -0.558 20 0 EBADRP O=C1CN(Cc2ccc(N3CC[NH2+]CC3)nc2)CC2(CC[NH2+]CC2)N1 ZINC001222520970 811637347 /nfs/dbraw/zinc/63/73/47/811637347.db2.gz MBQOFZFWEDLILY-UHFFFAOYSA-N 2 0 344.463 -0.455 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001222613400 811648217 /nfs/dbraw/zinc/64/82/17/811648217.db2.gz ZRFZADQWQXYLRL-WCQYABFASA-N 2 0 339.440 -0.508 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CCN3CCNC3=O)[C@H]2C1 ZINC001223430655 811705226 /nfs/dbraw/zinc/70/52/26/811705226.db2.gz OFZNEHVYIKUXIU-CABCVRRESA-N 2 0 337.468 -0.114 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(CNC(=O)CCC[NH+](C)C)CC1 ZINC001224273300 811753429 /nfs/dbraw/zinc/75/34/29/811753429.db2.gz WERJJJXTYIYEGN-GFCCVEGCSA-N 2 0 341.456 -0.260 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001227150685 811907784 /nfs/dbraw/zinc/90/77/84/811907784.db2.gz ZJKGGWKLSROONY-VXGBXAGGSA-N 2 0 341.456 -0.071 20 0 EBADRP COC[C@H](O)C[NH+]1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001227408828 811921716 /nfs/dbraw/zinc/92/17/16/811921716.db2.gz YPMVGADWTIZXJP-HZPDHXFCSA-N 2 0 325.453 -0.084 20 0 EBADRP C[NH+](C)[C@H](C(=O)NC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1)C1CC1 ZINC001227817873 811944226 /nfs/dbraw/zinc/94/42/26/811944226.db2.gz NSQOAHXQLYKYIB-ZFWWWQNUSA-N 2 0 336.436 -0.288 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001228270473 811972076 /nfs/dbraw/zinc/97/20/76/811972076.db2.gz RKZMLJNXEITPHH-ZIAGYGMSSA-N 2 0 348.513 -0.106 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001228595447 811989478 /nfs/dbraw/zinc/98/94/78/811989478.db2.gz XDZLVYPBBNHUDW-YNEHKIRRSA-N 2 0 339.440 -0.317 20 0 EBADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O)[NH+](C)C ZINC001228661419 811992781 /nfs/dbraw/zinc/99/27/81/811992781.db2.gz SRNJFADJGJLJCM-UTUOFQBUSA-N 2 0 327.429 -0.462 20 0 EBADRP COC[C@H](C)OC[C@@H](O)C[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001228999749 812008360 /nfs/dbraw/zinc/00/83/60/812008360.db2.gz VGRKJBAXBCRCST-HOCLYGCPSA-N 2 0 345.484 -0.069 20 0 EBADRP COC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229711045 812050534 /nfs/dbraw/zinc/05/05/34/812050534.db2.gz UNOAMGRKCVNQCH-RBSFLKMASA-N 2 0 331.457 -0.411 20 0 EBADRP CN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)C1=O ZINC001229717282 812051107 /nfs/dbraw/zinc/05/11/07/812051107.db2.gz PTEVYVPSPMZXOC-KFWWJZLASA-N 2 0 340.468 -0.188 20 0 EBADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O)[NH+](C)C ZINC001229745776 812054028 /nfs/dbraw/zinc/05/40/28/812054028.db2.gz BCZOJRMRJDRUAN-MCIONIFRSA-N 2 0 348.513 -0.107 20 0 EBADRP C[NH+]1CCN(c2ccc(CN3CCN[C@@]4(CC[NH2+]C4)C3)cn2)CC1 ZINC001235064207 812469580 /nfs/dbraw/zinc/46/95/80/812469580.db2.gz WCZXPOVMLFGNEA-GOSISDBHSA-N 2 0 330.480 -0.029 20 0 EBADRP CN(C[C@H]1CCN1[C@H]1CCC(=O)NC1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001235320737 812481049 /nfs/dbraw/zinc/48/10/49/812481049.db2.gz PDXVTQBZDHZJMY-OLZOCXBDSA-N 2 0 336.436 -0.191 20 0 EBADRP COC(=O)[C@H]1C[C@H]([NH3+])CN(Cc2cccc(C(=O)NCC[NH3+])c2)C1 ZINC001235770770 812513438 /nfs/dbraw/zinc/51/34/38/812513438.db2.gz FYYBVMNXXIOQEN-GJZGRUSLSA-N 2 0 334.420 -0.303 20 0 EBADRP COc1cc(O)cc(OC)c1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235868704 812513815 /nfs/dbraw/zinc/51/38/15/812513815.db2.gz AHAMMJFJQGECFQ-UHFFFAOYSA-N 2 0 338.452 -0.006 20 0 EBADRP COC(=O)[C@H]1C[C@H]([NH3+])CN(Cc2ccc(N3CC[NH2+]CC3)nc2)C1 ZINC001235776089 812513915 /nfs/dbraw/zinc/51/39/15/812513915.db2.gz NUXRPHWLVMPDLO-GJZGRUSLSA-N 2 0 333.436 -0.187 20 0 EBADRP NC(=O)COc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc1 ZINC001235870224 812514633 /nfs/dbraw/zinc/51/46/33/812514633.db2.gz GZKAVAYLGIWEPA-UHFFFAOYSA-N 2 0 335.452 -0.865 20 0 EBADRP COC(=O)c1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])o1 ZINC001236310920 812517435 /nfs/dbraw/zinc/51/74/35/812517435.db2.gz NHZHKWDBXFYLHM-UHFFFAOYSA-N 2 0 326.397 -0.318 20 0 EBADRP Cc1nc(S(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cn1C ZINC001238243955 812525578 /nfs/dbraw/zinc/52/55/78/812525578.db2.gz XAJDUPFTXYMJOG-LBPRGKRZSA-N 2 0 327.454 -0.119 20 0 EBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001239045743 812540026 /nfs/dbraw/zinc/54/00/26/812540026.db2.gz RBCIYCIISWTFHK-HNNXBMFYSA-N 2 0 347.481 -0.603 20 0 EBADRP [NH3+]CCS(=O)(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001239081662 812542616 /nfs/dbraw/zinc/54/26/16/812542616.db2.gz NOEBIKDROCUYIE-CABCVRRESA-N 2 0 340.449 -0.355 20 0 EBADRP Cc1nnc(-c2cccc(S(=O)(=O)N(CC[NH3+])CC[NH3+])c2)o1 ZINC001239097831 812544227 /nfs/dbraw/zinc/54/42/27/812544227.db2.gz ZTEHHXSQLAIFMU-UHFFFAOYSA-N 2 0 325.394 -0.047 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(S(=O)(=O)[C@@H]3CC[NH2+]C3)C[C@H]1C2 ZINC001239109622 812545047 /nfs/dbraw/zinc/54/50/47/812545047.db2.gz AVPVVPYDHOFMSF-VVSAWPALSA-N 2 0 343.449 -0.991 20 0 EBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@@H](O)COCC(F)(F)C(F)F ZINC001246005066 812558190 /nfs/dbraw/zinc/55/81/90/812558190.db2.gz CWYKRPOYZHIJSF-BDAKNGLRSA-N 2 0 333.326 -0.163 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001245983772 812558661 /nfs/dbraw/zinc/55/86/61/812558661.db2.gz MOWFHZMPHKFMJT-NHIYQJMISA-N 2 0 340.374 -0.637 20 0 EBADRP [NH3+]CCCOCCOCCOCCC[NH2+]C[C@@]1(O)CCC[NH2+]C1 ZINC001245983803 812558715 /nfs/dbraw/zinc/55/87/15/812558715.db2.gz JHJJYNQELMNJMP-MRXNPFEDSA-N 3 0 333.473 -0.521 20 0 EBADRP O[C@H](C[N@@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3)CC1(O)CC[NH2+]CC1 ZINC001246038037 812561279 /nfs/dbraw/zinc/56/12/79/812561279.db2.gz UINREDYBLUGPLG-JYYAWHABSA-N 3 0 325.453 -0.695 20 0 EBADRP CCOC(=O)C[C@H](O)C[N@@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001246045475 812561416 /nfs/dbraw/zinc/56/14/16/812561416.db2.gz KNCRQXKFSDLCAI-KAHPBISDSA-N 2 0 340.420 -0.369 20 0 EBADRP CCOC(=O)[C@@H]1C[C@@H]([NH2+]CC2(C(=O)OC)CC[NH2+]CC2)CCN1 ZINC001246096512 812564540 /nfs/dbraw/zinc/56/45/40/812564540.db2.gz JVGICXZRXQXQMW-STQMWFEESA-N 2 0 327.425 -0.198 20 0 EBADRP O=C([C@@H]1C[C@@H]([NH2+]C[C@H]2CC3(C[NH2+]C3)CO2)CN1)N1CCSC1 ZINC001246125495 812564605 /nfs/dbraw/zinc/56/46/05/812564605.db2.gz IGALQCHUDSOBFH-UPJWGTAASA-N 2 0 326.466 -0.782 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]([NH2+]CC2(C(=O)OC)CC[NH2+]CC2)CCN1 ZINC001246096511 812565077 /nfs/dbraw/zinc/56/50/77/812565077.db2.gz JVGICXZRXQXQMW-OLZOCXBDSA-N 2 0 327.425 -0.198 20 0 EBADRP O=C([C@@H]1C[C@@H](NCc2noc3c2C[NH2+]CC3)C[NH2+]1)N1CCSC1 ZINC001246131925 812565777 /nfs/dbraw/zinc/56/57/77/812565777.db2.gz BJMGVLFHGVBBKP-PWSUYJOCSA-N 2 0 337.449 -0.327 20 0 EBADRP O=C([C@@H]1C[C@H]([NH2+]CC[C@@H]2CCOC23C[NH2+]C3)CN1)N1CCSC1 ZINC001246139488 812565928 /nfs/dbraw/zinc/56/59/28/812565928.db2.gz UVFBMUJLTQWFNW-RDBSUJKOSA-N 2 0 340.493 -0.392 20 0 EBADRP O=C([C@@H]1C[C@@H](N[C@@H]2COC3(C2)CC[NH2+]CC3)C[NH2+]1)N1CCSC1 ZINC001246186784 812567356 /nfs/dbraw/zinc/56/73/56/812567356.db2.gz ZCSREZIQKISJJW-RDBSUJKOSA-N 2 0 340.493 -0.250 20 0 EBADRP O=C([C@@H]1C[C@H](N[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)C[NH2+]1)N1CCSC1 ZINC001246152889 812567457 /nfs/dbraw/zinc/56/74/57/812567457.db2.gz NZMSIZRDNXQFEB-ABHRYQDASA-N 2 0 326.466 -0.640 20 0 EBADRP C[C@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCC[NH3+])CC[NH2+]1 ZINC001246215849 812567853 /nfs/dbraw/zinc/56/78/53/812567853.db2.gz KOFPPRVUNORWPX-HOTGVXAUSA-N 3 0 333.473 -0.258 20 0 EBADRP O=C([C@@H]1C[C@@H]([NH2+]C[C@H](O)C2CC[NH2+]CC2)CN1)N1CCSC1 ZINC001246225255 812569484 /nfs/dbraw/zinc/56/94/84/812569484.db2.gz DMFUPYWGFBQRRP-RDBSUJKOSA-N 2 0 328.482 -0.800 20 0 EBADRP NC(=O)[C@H](CC(=O)OCc1ccccc1)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246237531 812569795 /nfs/dbraw/zinc/56/97/95/812569795.db2.gz HOUILLULSHNKET-CABCVRRESA-N 2 0 346.431 -0.343 20 0 EBADRP C[N@H+](CCC[NH3+])CCCN[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246284777 812569858 /nfs/dbraw/zinc/56/98/58/812569858.db2.gz OVIXSTUGLHHLAW-KGLIPLIRSA-N 3 0 329.514 -0.490 20 0 EBADRP CC(C)(C)OC(=O)CC[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(N)=O ZINC001246267439 812569890 /nfs/dbraw/zinc/56/98/90/812569890.db2.gz MWRSPPVLLMHPRV-NEPJUHHUSA-N 2 0 326.441 -0.354 20 0 EBADRP COCCC1(N[C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[NH2+]CC1 ZINC001246390419 812571649 /nfs/dbraw/zinc/57/16/49/812571649.db2.gz LPIUTQVCQNVJPD-KGLIPLIRSA-N 2 0 342.509 -0.002 20 0 EBADRP C[C@@H]1C[C@@H](n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)CC[NH2+]1 ZINC001246483985 812573390 /nfs/dbraw/zinc/57/33/90/812573390.db2.gz WSGIVRQOGTZCAT-DHMWGJHJSA-N 2 0 348.451 -0.458 20 0 EBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCCC2)CN1 ZINC001246519200 812575407 /nfs/dbraw/zinc/57/54/07/812575407.db2.gz NLSKPLPRMUIJSM-ILXRZTDVSA-N 2 0 340.468 -0.010 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CN[C@H](C(=O)OC(C)(C)C)C1 ZINC001246512484 812575544 /nfs/dbraw/zinc/57/55/44/812575544.db2.gz NWQJTJPPAQXKIH-AVGNSLFASA-N 2 0 328.457 -0.108 20 0 EBADRP CS(=O)(=O)N(Cc1ncn2c1C[NH2+]CCC2)[C@H]1CCC[NH2+]C1 ZINC001246696434 812581836 /nfs/dbraw/zinc/58/18/36/812581836.db2.gz QWYMVIBUBWYALW-LBPRGKRZSA-N 2 0 327.454 -0.110 20 0 EBADRP CS(=O)(=O)N(Cc1ncn2c1C[NH2+]CCC2)C1CC[NH2+]CC1 ZINC001246699685 812582125 /nfs/dbraw/zinc/58/21/25/812582125.db2.gz ZZTDULSGDULZGD-UHFFFAOYSA-N 2 0 327.454 -0.110 20 0 EBADRP c1cnc(N2CCO[C@H]3C[N@@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)C[C@H]32)nc1 ZINC001246706257 812582137 /nfs/dbraw/zinc/58/21/37/812582137.db2.gz OQUPAMDSOFMSFH-KFWWJZLASA-N 2 0 330.436 -0.540 20 0 EBADRP CNC(=O)CN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246709014 812582795 /nfs/dbraw/zinc/58/27/95/812582795.db2.gz MFHHVOOHVBXPJP-KDOFPFPSSA-N 2 0 349.479 -0.717 20 0 EBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](C1CC[NH2+]CC1)CC2 ZINC001246730580 812584615 /nfs/dbraw/zinc/58/46/15/812584615.db2.gz UEUKNYCIHXNPSV-UHFFFAOYSA-N 3 0 337.512 -0.091 20 0 EBADRP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)CN1 ZINC001246821236 812589343 /nfs/dbraw/zinc/58/93/43/812589343.db2.gz NDMISGRKJWUJBS-CABCVRRESA-N 2 0 341.500 -0.857 20 0 EBADRP CCOC(=O)[C@H]1CC[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)CO1 ZINC001246824545 812590172 /nfs/dbraw/zinc/59/01/72/812590172.db2.gz YVGPXVWGZBHATM-HUUCEWRRSA-N 2 0 328.457 -0.819 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+](C3C[C@@H]4COC[C@H](C3)N4)C[C@H]1C2 ZINC001246857884 812590761 /nfs/dbraw/zinc/59/07/61/812590761.db2.gz JFRPFNJXFNYAKG-DNQCCUHYSA-N 2 0 335.448 -0.164 20 0 EBADRP O=C([C@@H]1C[C@H](N2CC(O)([C@H]3CCCC[NH2+]3)C2)C[NH2+]1)N1CCSC1 ZINC001246898270 812591570 /nfs/dbraw/zinc/59/15/70/812591570.db2.gz MIJOLULODITHCC-MELADBBJSA-N 2 0 340.493 -0.561 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]1C2 ZINC001246868032 812592186 /nfs/dbraw/zinc/59/21/86/812592186.db2.gz JLVDFRUNABEQKF-VAVSNJLASA-N 3 0 334.464 -0.589 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+]([C@H]3CCOC4(C[NH2+]C4)C3)C[C@H]1C2 ZINC001246874128 812592250 /nfs/dbraw/zinc/59/22/50/812592250.db2.gz VWVXBOQVANJNLO-VAVSNJLASA-N 3 0 335.448 -0.162 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001246925812 812592889 /nfs/dbraw/zinc/59/28/89/812592889.db2.gz PRWVJTONUIHCNZ-KBPBESRZSA-N 3 0 325.457 -0.744 20 0 EBADRP CCOC(=O)CN(CCC[NH3+])[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246923024 812593374 /nfs/dbraw/zinc/59/33/74/812593374.db2.gz MZTLBAGIVVNBFC-STQMWFEESA-N 2 0 344.481 -0.536 20 0 EBADRP CCOC(=O)[C@H]1C[N@@H+]([C@@H]2CN[C@@H](C(=O)OC)C2)CCC12C[NH2+]C2 ZINC001247008130 812595476 /nfs/dbraw/zinc/59/54/76/812595476.db2.gz LRNOKBYRTOBWEG-YNEHKIRRSA-N 2 0 325.409 -0.636 20 0 EBADRP CCOC(=O)[C@H]1C[N@@H+]([C@@H]2CC[C@@H](C(=O)OC)NC2)CCC12C[NH2+]C2 ZINC001247009129 812596166 /nfs/dbraw/zinc/59/61/66/812596166.db2.gz OKVBOZCVTCIRHU-MCIONIFRSA-N 2 0 339.436 -0.245 20 0 EBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](CC(C)(C)O)CC2 ZINC001252352784 812648001 /nfs/dbraw/zinc/64/80/01/812648001.db2.gz RDUMZDCFDQBBBR-UHFFFAOYSA-N 2 0 326.485 -0.073 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@@H+]1C ZINC001253368263 812678179 /nfs/dbraw/zinc/67/81/79/812678179.db2.gz GDLMBBGZMUZMJT-CHWSQXEVSA-N 2 0 336.440 -0.018 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC2=CC[N@H+](C)CC2)n1 ZINC001254184382 812698754 /nfs/dbraw/zinc/69/87/54/812698754.db2.gz MYHOXZBWGMSZMX-UHFFFAOYSA-N 2 0 334.424 -0.239 20 0 EBADRP C[N@@H+]1CC[C@H](n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001255427251 812713321 /nfs/dbraw/zinc/71/33/21/812713321.db2.gz QUHICPXXXVUTAM-UBHSHLNASA-N 2 0 334.424 -0.894 20 0 EBADRP CC[NH+](CC)CCC[C@H](C)[NH2+]CCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001258906255 812798300 /nfs/dbraw/zinc/79/83/00/812798300.db2.gz AUHHWTFAOZRNPW-SJRVDFGRSA-N 2 0 348.484 -0.069 20 0 EBADRP OC[C@@H]1C[NH+](CCCCCC[N@@H+]2CC[C@H](O)[C@H](CO)C2)CC[C@H]1O ZINC001261660149 812960490 /nfs/dbraw/zinc/96/04/90/812960490.db2.gz GHKQVQFXRSVGDW-XLAORIBOSA-N 2 0 344.496 -0.103 20 0 EBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001261819750 812991203 /nfs/dbraw/zinc/99/12/03/812991203.db2.gz IPKGAWYVPJZWQW-QWHCGFSZSA-N 2 0 326.441 -0.401 20 0 EBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001261820209 812992135 /nfs/dbraw/zinc/99/21/35/812992135.db2.gz TXJYBLYUAIWMLD-CHWSQXEVSA-N 2 0 326.441 -0.591 20 0 EBADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC001261823025 812992933 /nfs/dbraw/zinc/99/29/33/812992933.db2.gz OOTXLBYWVRNPSF-UHFFFAOYSA-N 2 0 338.452 -0.303 20 0 EBADRP [NH3+]CCN1CCC[C@H](C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1=O ZINC001263187195 813108811 /nfs/dbraw/zinc/10/88/11/813108811.db2.gz COGHYWALMVFFAA-ZIAGYGMSSA-N 2 0 338.452 -0.541 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CCO1 ZINC001263161526 813108997 /nfs/dbraw/zinc/10/89/97/813108997.db2.gz IFPWKENXRRBIOA-GJZGRUSLSA-N 2 0 340.468 -0.247 20 0 EBADRP C[C@@H]1CCCN(C(=O)[C@@H]2CN(C)CCO2)[C@@H]1CCC[NH2+]CC(N)=O ZINC001264015554 813140188 /nfs/dbraw/zinc/14/01/88/813140188.db2.gz XSPBRHXYYQJOLK-KFWWJZLASA-N 2 0 340.468 -0.201 20 0 EBADRP CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)[NH+](C)C ZINC001264436761 813176635 /nfs/dbraw/zinc/17/66/35/813176635.db2.gz HVWFFSVTLAIGLN-MGPQQGTHSA-N 2 0 338.452 -0.040 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001264997931 813216203 /nfs/dbraw/zinc/21/62/03/813216203.db2.gz ZGUVHDGNOCPJRO-OLZOCXBDSA-N 2 0 343.472 -0.145 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001265068980 813233607 /nfs/dbraw/zinc/23/36/07/813233607.db2.gz WOQZFPAOXVMVIN-STQMWFEESA-N 2 0 341.456 -0.390 20 0 EBADRP COC[C@@H](O)C[NH+]1CCN(CCCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001265254274 813276562 /nfs/dbraw/zinc/27/65/62/813276562.db2.gz FTIXNJTYQFTVQB-CVEARBPZSA-N 2 0 342.484 -0.931 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCS(=O)(=O)N(C)C)C1)[NH+](C)C ZINC001265454649 813326821 /nfs/dbraw/zinc/32/68/21/813326821.db2.gz YBOHAJBJHBUKQF-UONOGXRCSA-N 2 0 348.513 -0.201 20 0 EBADRP C[NH+](C)CCCCC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081632693 813330647 /nfs/dbraw/zinc/33/06/47/813330647.db2.gz RJLCORBOYQLANK-LSDHHAIUSA-N 2 0 342.484 -0.395 20 0 EBADRP C[NH+](C)CCCCC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081632692 813331234 /nfs/dbraw/zinc/33/12/34/813331234.db2.gz RJLCORBOYQLANK-HUUCEWRRSA-N 2 0 342.484 -0.395 20 0 EBADRP CC(C)NC(=O)NCC[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001265851577 813385901 /nfs/dbraw/zinc/38/59/01/813385901.db2.gz PEPJGUXHWYFGEH-ZDUSSCGKSA-N 2 0 325.457 -0.116 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001265869726 813394118 /nfs/dbraw/zinc/39/41/18/813394118.db2.gz ATDATOZBZSPLME-OLZOCXBDSA-N 2 0 339.440 -0.493 20 0 EBADRP C[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCNS(C)(=O)=O)C2)CC1 ZINC001265928875 813417742 /nfs/dbraw/zinc/41/77/42/813417742.db2.gz UUENHJFRTNCBLI-ZDUSSCGKSA-N 2 0 332.470 -0.932 20 0 EBADRP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NC1CCOCC1 ZINC001265971326 813430243 /nfs/dbraw/zinc/43/02/43/813430243.db2.gz JJBMMONUYMAYHU-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001265990125 813435099 /nfs/dbraw/zinc/43/50/99/813435099.db2.gz NMHHZNLNBFELJA-QWHCGFSZSA-N 2 0 339.440 -0.684 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001081733123 813488622 /nfs/dbraw/zinc/48/86/22/813488622.db2.gz PICBLOUVCJFBMI-ZIAGYGMSSA-N 2 0 342.484 -0.396 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001081736655 813494555 /nfs/dbraw/zinc/49/45/55/813494555.db2.gz YQUCNMFPJOIGDQ-ZIAGYGMSSA-N 2 0 328.457 -0.786 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001081773435 813537746 /nfs/dbraw/zinc/53/77/46/813537746.db2.gz BEPAJEMXCZOQGQ-CABCVRRESA-N 2 0 342.484 -0.395 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001081775068 813544951 /nfs/dbraw/zinc/54/49/51/813544951.db2.gz WVPPSIOGAAWKMT-LSDHHAIUSA-N 2 0 342.484 -0.395 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001266593464 813617078 /nfs/dbraw/zinc/61/70/78/813617078.db2.gz KKFYENLGVQYELK-AAVRWANBSA-N 2 0 346.497 -0.497 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001266730960 813653670 /nfs/dbraw/zinc/65/36/70/813653670.db2.gz MDVNTWPTXQINTK-CYBMUJFWSA-N 2 0 341.456 -0.246 20 0 EBADRP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CCNS(C)(=O)=O)[NH+](C)C ZINC001266877344 813689746 /nfs/dbraw/zinc/68/97/46/813689746.db2.gz DCCDSEXOUDVKQU-KBPBESRZSA-N 2 0 348.513 -0.154 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CCO)C1)[NH+](C)C ZINC001267001832 813728147 /nfs/dbraw/zinc/72/81/47/813728147.db2.gz BJYDQVHTEXMZOZ-ZIAGYGMSSA-N 2 0 328.457 -0.737 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H](C[NH2+]CCN(C)S(C)(=O)=O)C1)[NH+](C)C ZINC001267046438 813744864 /nfs/dbraw/zinc/74/48/64/813744864.db2.gz DGGMUSVCQAPUDX-ZIAGYGMSSA-N 2 0 348.513 -0.344 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](C[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001267064502 813750098 /nfs/dbraw/zinc/75/00/98/813750098.db2.gz IQWQEXGLOACLDG-KBPBESRZSA-N 2 0 331.482 -0.189 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](C[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001267064505 813750265 /nfs/dbraw/zinc/75/02/65/813750265.db2.gz IQWQEXGLOACLDG-ZIAGYGMSSA-N 2 0 331.482 -0.189 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C)C(N)=O ZINC001082829032 814013560 /nfs/dbraw/zinc/01/35/60/814013560.db2.gz YYSQNQBLKCHDMH-YRGRVCCFSA-N 2 0 326.441 -0.593 20 0 EBADRP COCCOC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267747163 814021921 /nfs/dbraw/zinc/02/19/21/814021921.db2.gz MFORBHAGADFLQX-OAGGEKHMSA-N 2 0 343.468 -0.315 20 0 EBADRP CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCN1C(=O)CCC1=O ZINC001267820207 814048704 /nfs/dbraw/zinc/04/87/04/814048704.db2.gz OMQMIFYOHGYHDW-ZIAGYGMSSA-N 2 0 338.452 -0.038 20 0 EBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]CCN1C(=O)CCC1=O ZINC001268001373 814087858 /nfs/dbraw/zinc/08/78/58/814087858.db2.gz ASCTUMXNVNPPIX-ZDUSSCGKSA-N 2 0 338.452 -0.181 20 0 EBADRP C[C@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268087056 814121661 /nfs/dbraw/zinc/12/16/61/814121661.db2.gz PEOOQPPEGNVRGU-CHWSQXEVSA-N 2 0 334.486 -0.686 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001268133211 814131200 /nfs/dbraw/zinc/13/12/00/814131200.db2.gz DCVIUDWDIATBDM-CHWSQXEVSA-N 2 0 334.486 -0.686 20 0 EBADRP CS(=O)(=O)NCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001268288651 814173046 /nfs/dbraw/zinc/17/30/46/814173046.db2.gz CKZOVVUIQVQUFP-ZIAGYGMSSA-N 2 0 346.497 -0.494 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCn1cc(Cl)cn1 ZINC001268301043 814177671 /nfs/dbraw/zinc/17/76/71/814177671.db2.gz VYZDAQKDXJLRCL-QWHCGFSZSA-N 2 0 329.832 -0.303 20 0 EBADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001268364472 814222849 /nfs/dbraw/zinc/22/28/49/814222849.db2.gz DTZATSMPJWBADI-CHWSQXEVSA-N 2 0 338.456 -0.034 20 0 EBADRP C[C@@H](CC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001268403249 814233360 /nfs/dbraw/zinc/23/33/60/814233360.db2.gz KXJQZZJTOUGQET-STQMWFEESA-N 2 0 341.456 -0.070 20 0 EBADRP CCN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)C[N@H+](C)C(C)C ZINC001268498988 814266516 /nfs/dbraw/zinc/26/65/16/814266516.db2.gz CEANTQSPPKDMSB-UHFFFAOYSA-N 2 0 328.457 -0.377 20 0 EBADRP CN(CCC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)CCCn1ccnc1 ZINC001268964275 814459266 /nfs/dbraw/zinc/45/92/66/814459266.db2.gz LXBXQXNENVKMCE-ZDUSSCGKSA-N 2 0 335.408 -0.093 20 0 EBADRP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083470267 814465073 /nfs/dbraw/zinc/46/50/73/814465073.db2.gz ICMAODJJXQWIAK-YUELXQCFSA-N 2 0 339.440 -0.746 20 0 EBADRP CN(C)C(=O)C[NH2+][C@@]12CC[C@@](NC(=O)CN(C)C(N)=[NH2+])(C1)CCC2 ZINC001268997060 814468403 /nfs/dbraw/zinc/46/84/03/814468403.db2.gz SWCBRAJVNLRINR-JKSUJKDBSA-N 2 0 338.456 -0.549 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001269186623 814572456 /nfs/dbraw/zinc/57/24/56/814572456.db2.gz MJOFFHLUGYKDIH-UHFFFAOYSA-N 2 0 326.441 -0.670 20 0 EBADRP C[C@H](C(N)=O)N1CC[C@H](N(C)C(=O)CCCCN2CCOCC2)C1 ZINC001269280604 814612240 /nfs/dbraw/zinc/61/22/40/814612240.db2.gz LMZXWOCGYVRNJV-CABCVRRESA-N 2 0 340.468 -0.105 20 0 EBADRP CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CCNS(C)(=O)=O ZINC001269433554 814691182 /nfs/dbraw/zinc/69/11/82/814691182.db2.gz XZDPNWJUHOGPNL-ZDUSSCGKSA-N 2 0 346.497 -0.352 20 0 EBADRP C[N@@H+]1C[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2O)[C@@H](c2ccccc2)C1 ZINC001083795057 815613619 /nfs/dbraw/zinc/61/36/19/815613619.db2.gz CWGJMODSKLOAOT-XDNAFOTISA-N 2 0 347.459 -0.125 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@@H]2O)C1 ZINC001084054034 815798865 /nfs/dbraw/zinc/79/88/65/815798865.db2.gz UCPGIOQEUGHBPO-XHSDSOJGSA-N 2 0 325.453 -0.084 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CN(CCOCCO)CCO1 ZINC001270664517 815849524 /nfs/dbraw/zinc/84/95/24/815849524.db2.gz GALYTAQIMBHSCY-GJZGRUSLSA-N 2 0 329.441 -0.703 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[NH+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001084775881 815979820 /nfs/dbraw/zinc/97/98/20/815979820.db2.gz XSPHHGLKOUSXNX-ARFHVFGLSA-N 2 0 349.479 -0.114 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCNC2=O)C1 ZINC001085422052 816048734 /nfs/dbraw/zinc/04/87/34/816048734.db2.gz GEIRKBNIJRGSCT-RBSFLKMASA-N 2 0 337.468 -0.020 20 0 EBADRP CC(C)[NH+]1CCN(CC(=O)N2CC3(CCN3CC[NH+](C)C)C2)CC1 ZINC001271533660 816135780 /nfs/dbraw/zinc/13/57/80/816135780.db2.gz OKHXOBSEEYOAHN-UHFFFAOYSA-N 2 0 337.512 -0.139 20 0 EBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001271661279 816177143 /nfs/dbraw/zinc/17/71/43/816177143.db2.gz XXYYXPXOJCFAFJ-UONOGXRCSA-N 2 0 325.457 -0.353 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001086047474 816215087 /nfs/dbraw/zinc/21/50/87/816215087.db2.gz RLJMVKMMIMNIIE-XQLPTFJDSA-N 2 0 343.493 0.000 20 0 EBADRP Cn1ncc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)n1 ZINC001086091820 816226289 /nfs/dbraw/zinc/22/62/89/816226289.db2.gz ORXPCIYOILJHQW-XRGAULLZSA-N 2 0 348.451 -0.337 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)nc1=O ZINC001086087879 816226788 /nfs/dbraw/zinc/22/67/88/816226788.db2.gz TWRVZSQFPOSOGI-YUTCNCBUSA-N 2 0 348.451 -0.565 20 0 EBADRP O=C(NC[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001086093489 816227964 /nfs/dbraw/zinc/22/79/64/816227964.db2.gz RRHIHRBQOCMZML-QXSJWSMHSA-N 2 0 348.451 -0.374 20 0 EBADRP Cn1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)nn1 ZINC001086091921 816227991 /nfs/dbraw/zinc/22/79/91/816227991.db2.gz SLKXMMPXSSKGIK-CLWVCHIJSA-N 2 0 348.451 -0.337 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001086122279 816238199 /nfs/dbraw/zinc/23/81/99/816238199.db2.gz DONHTCRDARQDPI-RQJABVFESA-N 2 0 336.436 -0.240 20 0 EBADRP C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@H]4C[NH+]5CCC4CC5)CC3)[C@@H]2C1 ZINC001271938555 816258786 /nfs/dbraw/zinc/25/87/86/816258786.db2.gz AQQYCHLETHSLTO-ARFHVFGLSA-N 2 0 346.475 -0.003 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001086186831 816265394 /nfs/dbraw/zinc/26/53/94/816265394.db2.gz QYBLVJZGEVOLPW-KWCYVHTRSA-N 2 0 336.436 -0.382 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001086198600 816268344 /nfs/dbraw/zinc/26/83/44/816268344.db2.gz YWFHZFYWNZRXAH-RVMXOQNASA-N 2 0 336.440 -0.710 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086198695 816268477 /nfs/dbraw/zinc/26/84/77/816268477.db2.gz BOKSFBIYRWGFIJ-BYNSBNAKSA-N 2 0 337.468 -0.306 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(C)CC[NH+](C)CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001272021389 816292566 /nfs/dbraw/zinc/29/25/66/816292566.db2.gz ZWHNYVGWGDBRFK-CHWSQXEVSA-N 2 0 339.440 -0.731 20 0 EBADRP Cn1ncnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001086373293 816310648 /nfs/dbraw/zinc/31/06/48/816310648.db2.gz RZSNBMSAMDOMBA-ZQDZILKHSA-N 2 0 348.451 -0.337 20 0 EBADRP Cn1ncc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)n1 ZINC001086373184 816311137 /nfs/dbraw/zinc/31/11/37/816311137.db2.gz ORXPCIYOILJHQW-XOUADPBQSA-N 2 0 348.451 -0.337 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]CC(=O)NC(C)(C)C ZINC001272129773 816320368 /nfs/dbraw/zinc/32/03/68/816320368.db2.gz PSTSDEIDKNCWHZ-ZDUSSCGKSA-N 2 0 328.457 -0.594 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001086402008 816320956 /nfs/dbraw/zinc/32/09/56/816320956.db2.gz DONHTCRDARQDPI-AAVRWANBSA-N 2 0 336.436 -0.240 20 0 EBADRP O=C(NC[C@@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001086432566 816332814 /nfs/dbraw/zinc/33/28/14/816332814.db2.gz YTCDLSGPKLKELD-IVZCFAJBSA-N 2 0 348.447 -0.778 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001086456767 816343934 /nfs/dbraw/zinc/34/39/34/816343934.db2.gz VPZTVVFXOMCITQ-AJNGGQMLSA-N 2 0 338.452 -0.532 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H](C)C(N)=O)C2)C1 ZINC001086456851 816344071 /nfs/dbraw/zinc/34/40/71/816344071.db2.gz YRABLHZMGCRGMG-AAVRWANBSA-N 2 0 326.441 -0.546 20 0 EBADRP C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001272273390 816380445 /nfs/dbraw/zinc/38/04/45/816380445.db2.gz JZTGAOAOJBHCAE-HOTGVXAUSA-N 2 0 347.463 -0.128 20 0 EBADRP CNC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001272294787 816389228 /nfs/dbraw/zinc/38/92/28/816389228.db2.gz CYPDCQVXIMIBLG-UONOGXRCSA-N 2 0 328.457 -0.737 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(CCO)CC[NH2+]CC(=O)N1CCC1 ZINC001272315282 816395970 /nfs/dbraw/zinc/39/59/70/816395970.db2.gz KEMOFPMIYHYLTG-OAHLLOKOSA-N 2 0 340.468 -0.496 20 0 EBADRP NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001086762966 816400408 /nfs/dbraw/zinc/40/04/08/816400408.db2.gz KOFSOTWEQMROJJ-WJCMVAOVSA-N 2 0 336.436 -0.791 20 0 EBADRP NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001086762967 816400626 /nfs/dbraw/zinc/40/06/26/816400626.db2.gz KOFSOTWEQMROJJ-WTMDZQPDSA-N 2 0 336.436 -0.791 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2[NH2+]CCO)cn1 ZINC001086982548 816433537 /nfs/dbraw/zinc/43/35/37/816433537.db2.gz PQOLPKHUSDHTFI-XHSDSOJGSA-N 2 0 335.452 -0.363 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001087005755 816443364 /nfs/dbraw/zinc/44/33/64/816443364.db2.gz SNZIXOQGTMKTTR-VHDGCEQUSA-N 2 0 348.451 -0.869 20 0 EBADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cnn(C)c1 ZINC001087005670 816443819 /nfs/dbraw/zinc/44/38/19/816443819.db2.gz OCGLACAIONBTMF-CWRNSKLLSA-N 2 0 347.463 -0.219 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001272789915 816524052 /nfs/dbraw/zinc/52/40/52/816524052.db2.gz FSHTZYZGPBHMPT-GRYCIOLGSA-N 2 0 327.429 -0.604 20 0 EBADRP Cn1cnnc1CN1C[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273031209 816570307 /nfs/dbraw/zinc/57/03/07/816570307.db2.gz USUPCRQVQYEKKD-QGZVFWFLSA-N 2 0 348.451 -0.382 20 0 EBADRP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001273238150 816615063 /nfs/dbraw/zinc/61/50/63/816615063.db2.gz WBSRGWYFOVROHJ-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCO[C@H](C[NH2+]CCS(C)(=O)=O)C1)[NH+](C)C ZINC001273275285 816627712 /nfs/dbraw/zinc/62/77/12/816627712.db2.gz CAYVKVIOQZLKHH-KGLIPLIRSA-N 2 0 349.497 -0.566 20 0 EBADRP COCOCCC[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273466441 816679329 /nfs/dbraw/zinc/67/93/29/816679329.db2.gz JDLAXBXVZLAHBJ-MRXNPFEDSA-N 2 0 329.441 -0.138 20 0 EBADRP CCN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001273709901 816738021 /nfs/dbraw/zinc/73/80/21/816738021.db2.gz BTTZBLJSTGYLET-OAHLLOKOSA-N 2 0 340.468 -0.375 20 0 EBADRP CCS(=O)(=O)CCN1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273837544 816780805 /nfs/dbraw/zinc/78/08/05/816780805.db2.gz AUAGYWGFZVWSIM-OAHLLOKOSA-N 2 0 347.481 -0.714 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001274034454 816844834 /nfs/dbraw/zinc/84/48/34/816844834.db2.gz FJJYUYDAWVXQSL-NEFWEQRUSA-N 2 0 339.440 -0.567 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC/C=C/C[NH2+]CC(=O)NC(N)=O ZINC001274104262 816870534 /nfs/dbraw/zinc/87/05/34/816870534.db2.gz AZULXDGHBHCCAJ-JDGPPOGSSA-N 2 0 325.413 -0.682 20 0 EBADRP CC[C@H](C(=O)NC/C=C/C[NH2+]CC(=O)N1CCO[C@H](C)C1)[NH+](C)C ZINC001274124944 816873427 /nfs/dbraw/zinc/87/34/27/816873427.db2.gz LPIDSXMODIOZJM-WLBISTCBSA-N 2 0 340.468 -0.164 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001274278411 816918140 /nfs/dbraw/zinc/91/81/40/816918140.db2.gz AFFOISLIUGBVMV-QWHCGFSZSA-N 2 0 334.486 -0.686 20 0 EBADRP COC(=O)[C@H](O)C[N@@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001274604551 817030632 /nfs/dbraw/zinc/03/06/32/817030632.db2.gz VOHRODGOUBHQTD-RHSMWYFYSA-N 2 0 341.452 -0.214 20 0 EBADRP COC(=O)[C@@H](O)C[NH+]1CCC2(CCC(=O)N(CC[NH+](C)C)C2)CC1 ZINC001274604096 817030751 /nfs/dbraw/zinc/03/07/51/817030751.db2.gz ODVDUDPZYQGYTB-AWEZNQCLSA-N 2 0 341.452 -0.214 20 0 EBADRP NC(=O)C1CC[NH+](C2CCN(C(=O)C[N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC001274696822 817066522 /nfs/dbraw/zinc/06/65/22/817066522.db2.gz DMRXCOSAGDUIBG-OAHLLOKOSA-N 2 0 338.452 -0.759 20 0 EBADRP C[C@H](C[NH2+]CCCS(C)(=O)=O)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001274760871 817083949 /nfs/dbraw/zinc/08/39/49/817083949.db2.gz UYGVDAJQFUAWLR-TZMCWYRMSA-N 2 0 331.482 -0.143 20 0 EBADRP C[C@H](C[NH2+]CCCN(C)C(=O)[C@H]1CN(C)CCO1)CS(C)(=O)=O ZINC001275931232 817319471 /nfs/dbraw/zinc/31/94/71/817319471.db2.gz UGXSNPNCYJZEBS-ZIAGYGMSSA-N 2 0 349.497 -0.564 20 0 EBADRP O=C(N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001090392268 817348379 /nfs/dbraw/zinc/34/83/79/817348379.db2.gz RMEVPDZCPLECNX-CABCVRRESA-N 2 0 348.451 -0.542 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001276071390 817352534 /nfs/dbraw/zinc/35/25/34/817352534.db2.gz RYKSYJXIPLWVTQ-AWEZNQCLSA-N 2 0 342.484 -0.083 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001276386484 817395335 /nfs/dbraw/zinc/39/53/35/817395335.db2.gz CGSRSUQUUIHRFQ-CABCVRRESA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CCC[NH2+][C@@H]1CCCNC1=O ZINC001276387188 817395380 /nfs/dbraw/zinc/39/53/80/817395380.db2.gz YGPHDCQZFFJUEZ-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCN1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001276456988 817406698 /nfs/dbraw/zinc/40/66/98/817406698.db2.gz BSMZJLFMMROBKG-ZACQAIPSSA-N 2 0 336.480 -0.056 20 0 EBADRP C[NH+](C)CCN1CCN(CC[NH+](C)C)CC2(CCCC(=O)N2)C1 ZINC001276463414 817409508 /nfs/dbraw/zinc/40/95/08/817409508.db2.gz OAQZKVXGGHEBFQ-UHFFFAOYSA-N 2 0 325.501 -0.234 20 0 EBADRP Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090537371 817519665 /nfs/dbraw/zinc/51/96/65/817519665.db2.gz KBOKHLYAXXXNOP-IRXDYDNUSA-N 2 0 349.479 -0.144 20 0 EBADRP C[NH+]1CCC(NC(=O)C2=NO[C@@H]3C[N@H+](C[C@H]4CCOC4)C[C@H]23)CC1 ZINC001277289960 817544168 /nfs/dbraw/zinc/54/41/68/817544168.db2.gz WPXLBEYSPCDAOC-VHDGCEQUSA-N 2 0 336.436 -0.080 20 0 EBADRP COC[C@H](C(=O)OC)[N@H+]1C[C@@H]2CC[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001277572165 817600654 /nfs/dbraw/zinc/60/06/54/817600654.db2.gz WORLGELEIFIVHS-QLFBSQMISA-N 2 0 341.452 -0.094 20 0 EBADRP CNC(=O)CN1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](O)C1 ZINC001090642471 817605154 /nfs/dbraw/zinc/60/51/54/817605154.db2.gz XANOVJGIEZBRBW-JKSUJKDBSA-N 2 0 348.447 -0.341 20 0 EBADRP COCCCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001277823638 817641383 /nfs/dbraw/zinc/64/13/83/817641383.db2.gz NNZIEUCGQXMDHI-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP COCCOC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@@H](C)O)CC3)[C@H]2C1 ZINC001277961478 817663510 /nfs/dbraw/zinc/66/35/10/817663510.db2.gz YHJCBQUIFRXREW-ILXRZTDVSA-N 2 0 341.452 -0.500 20 0 EBADRP CCN1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCOCCO)C1 ZINC001278005414 817673311 /nfs/dbraw/zinc/67/33/11/817673311.db2.gz LIBKXVLHRYASBB-HUUCEWRRSA-N 2 0 329.441 -0.703 20 0 EBADRP Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090729803 817704955 /nfs/dbraw/zinc/70/49/55/817704955.db2.gz AFKLFVKDWGLYJR-HZPDHXFCSA-N 2 0 347.463 -0.390 20 0 EBADRP O=C(NC[C@H](CO)[NH2+]CCO[C@H]1CC1(F)F)C12CC[NH+](CC1)C2 ZINC001278178160 817718782 /nfs/dbraw/zinc/71/87/82/817718782.db2.gz CJHCMTIESLXCEY-NEPJUHHUSA-N 2 0 333.379 -0.427 20 0 EBADRP C[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001278416515 817758168 /nfs/dbraw/zinc/75/81/68/817758168.db2.gz NOFNRQCUCGLXRZ-QWHCGFSZSA-N 2 0 344.481 -0.790 20 0 EBADRP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001279388629 817923238 /nfs/dbraw/zinc/92/32/38/817923238.db2.gz PDUCUEUPXHYQOL-MJBXVCDLSA-N 2 0 336.436 -0.476 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NCC2CC([NH2+][C@@H]3CCNC3=O)C2)cn1 ZINC001091276879 817949873 /nfs/dbraw/zinc/94/98/73/817949873.db2.gz BCVVBLZGXJBYBQ-PESDSKBTSA-N 2 0 348.451 -0.569 20 0 EBADRP C[C@H]([NH2+]C1CC(CNC(=O)C23CC[NH+](CC2)C3)C1)c1nnnn1C ZINC001091327470 817960147 /nfs/dbraw/zinc/96/01/47/817960147.db2.gz OGTKYHCUZUYOPE-HIFPTAJRSA-N 2 0 333.440 -0.149 20 0 EBADRP CN1CCO[C@@H](C(=O)N(CCO)CC[NH2+]CCc2ccccc2)C1 ZINC001279680835 817969294 /nfs/dbraw/zinc/96/92/94/817969294.db2.gz UZLIMMCANVDJOP-QGZVFWFLSA-N 2 0 335.448 -0.030 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC2CC([NH2+]Cc3nnc4n3CCOC4)C2)C1 ZINC001091364290 817970258 /nfs/dbraw/zinc/97/02/58/817970258.db2.gz BYGXQGTXIJXZGC-MOKVOYLWSA-N 2 0 348.451 -0.256 20 0 EBADRP Cc1nn(C)cc1C[NH2+]CCN(CCO)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001279831242 817992179 /nfs/dbraw/zinc/99/21/79/817992179.db2.gz VQIFDINGNCUIFE-CQSZACIVSA-N 2 0 337.468 -0.019 20 0 EBADRP CN(C)C(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001279886025 818000785 /nfs/dbraw/zinc/00/07/85/818000785.db2.gz GDBAOGLKABKCBJ-LSDHHAIUSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1)[NH+](C)C ZINC001093858646 818114767 /nfs/dbraw/zinc/11/47/67/818114767.db2.gz GDBPCXHMGOTGEB-JHJVBQTASA-N 2 0 338.456 -0.367 20 0 EBADRP CC(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3CN(C)CCO3)nn2)C1 ZINC001094282315 818204487 /nfs/dbraw/zinc/20/44/87/818204487.db2.gz NZCMBNQJYDUKCP-HNNXBMFYSA-N 2 0 336.440 -0.262 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCc2cn(C3C[NH+](C[C@@H]4CCOC4)C3)nn2)C1 ZINC001094339118 818254452 /nfs/dbraw/zinc/25/44/52/818254452.db2.gz SBPRALQEMXBVGN-UONOGXRCSA-N 2 0 348.451 -0.261 20 0 EBADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)C12CC[NH+](CC1)C2 ZINC001096356605 818805496 /nfs/dbraw/zinc/80/54/96/818805496.db2.gz UVOUFUMGRSNFQE-ILXRZTDVSA-N 2 0 347.463 -0.171 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CNC2=O)C1 ZINC001096540421 818850793 /nfs/dbraw/zinc/85/07/93/818850793.db2.gz SVFICWTWAVFZRF-MQYQWHSLSA-N 2 0 349.435 -0.789 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH+](CCO)CC(N)=O)CC1 ZINC001098405984 819173657 /nfs/dbraw/zinc/17/36/57/819173657.db2.gz AFMQGXCXOSJQES-AWEZNQCLSA-N 2 0 326.441 -0.759 20 0 EBADRP NC(=O)C[N@H+](CCO)C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001098429018 819184285 /nfs/dbraw/zinc/18/42/85/819184285.db2.gz OMIUSJGSYJZMLU-UHFFFAOYSA-N 2 0 345.403 -0.282 20 0 EBADRP CNC(=O)C[N@H+](CCO)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001098462188 819200017 /nfs/dbraw/zinc/20/00/17/819200017.db2.gz GTZOPRYJAFGEOP-UHFFFAOYSA-N 2 0 328.457 -0.641 20 0 EBADRP C[C@@H](O)C[N@H+](CCO)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001098466651 819204272 /nfs/dbraw/zinc/20/42/72/819204272.db2.gz QGHAPIHZYWXVEU-CQSZACIVSA-N 2 0 327.469 -0.006 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC([NH+](CCO)CCCO)CC2)C1 ZINC001098477707 819208642 /nfs/dbraw/zinc/20/86/42/819208642.db2.gz FYSUEEZTHGSVHN-HNNXBMFYSA-N 2 0 327.469 -0.004 20 0 EBADRP C[NH+]1CCC(CC(=O)N2CCC([NH+](CCO)CCO)CC2)CC1 ZINC001098492847 819215282 /nfs/dbraw/zinc/21/52/82/819215282.db2.gz HTMSMDDADWDAAW-UHFFFAOYSA-N 2 0 327.469 -0.004 20 0 EBADRP CNC(=O)C[N@H+](CCO)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001098533173 819235250 /nfs/dbraw/zinc/23/52/50/819235250.db2.gz VKSITNRXZJVIPY-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC([NH+](CCO)CC(=O)NC)CC1 ZINC001098540843 819238475 /nfs/dbraw/zinc/23/84/75/819238475.db2.gz ZBAOCFWOXLVDRC-UHFFFAOYSA-N 2 0 328.457 -0.641 20 0 EBADRP C[N@H+](CC(=O)N[C@H]1CC[NH+](CCn2cccn2)C[C@@H]1O)C1CCC1 ZINC001099879029 819818608 /nfs/dbraw/zinc/81/86/08/819818608.db2.gz DINFOFFLMNABNM-HOTGVXAUSA-N 2 0 335.452 -0.081 20 0 EBADRP COCCOCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099880019 819824140 /nfs/dbraw/zinc/82/41/40/819824140.db2.gz UDDHSNIKBOLPKN-JKSUJKDBSA-N 2 0 343.468 -0.315 20 0 EBADRP CN(CCC(=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O)c1cc[nH+]cc1 ZINC001099899574 819870468 /nfs/dbraw/zinc/87/04/68/819870468.db2.gz VNISVXFIZVBRGG-HOTGVXAUSA-N 2 0 336.436 -0.158 20 0 EBADRP Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099975002 819979411 /nfs/dbraw/zinc/97/94/11/819979411.db2.gz XLJSVEPEFPJVQZ-HOTGVXAUSA-N 2 0 337.468 -0.144 20 0 EBADRP COCCOCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099974736 819979865 /nfs/dbraw/zinc/97/98/65/819979865.db2.gz UVXIIJMKWADROB-LSDHHAIUSA-N 2 0 331.457 -0.457 20 0 EBADRP COCCOCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001099979678 819984857 /nfs/dbraw/zinc/98/48/57/819984857.db2.gz ZANQEXGKVZAKGI-CVEARBPZSA-N 2 0 343.468 -0.457 20 0 EBADRP C[NH+](C)CCOCC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001286448750 819991768 /nfs/dbraw/zinc/99/17/68/819991768.db2.gz RODBQIIBYWOMST-RBSFLKMASA-N 2 0 340.468 -0.473 20 0 EBADRP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@H]2O)CC1 ZINC001100022044 820050825 /nfs/dbraw/zinc/05/08/25/820050825.db2.gz GKLOAPISJNLPLR-JKSUJKDBSA-N 2 0 343.468 -0.721 20 0 EBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2CC[N@H+](CCCO)C[C@@H]2O)CC1 ZINC001100050590 820125258 /nfs/dbraw/zinc/12/52/58/820125258.db2.gz KRRREVHAKGCYLZ-CABCVRRESA-N 2 0 329.441 -0.969 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1)C1CC1 ZINC001100408173 820406984 /nfs/dbraw/zinc/40/69/84/820406984.db2.gz XHAPAWIYGZAENJ-QEIKUCIBSA-N 2 0 325.413 -0.994 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1)C1CC1 ZINC001100408172 820407060 /nfs/dbraw/zinc/40/70/60/820407060.db2.gz XHAPAWIYGZAENJ-OCTTZUBCSA-N 2 0 325.413 -0.994 20 0 EBADRP C[C@H]([NH2+]C1CC(CNC(=O)C[N@H+](C)C2CCC2)C1)C(=O)NC(N)=O ZINC001100411557 820408573 /nfs/dbraw/zinc/40/85/73/820408573.db2.gz GEMCUHKJQNSGKF-UNXYVOJBSA-N 2 0 339.440 -0.462 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100446822 820423823 /nfs/dbraw/zinc/42/38/23/820423823.db2.gz CFXCJUDHWYHJRZ-MCIGGMRASA-N 2 0 325.413 -0.850 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CCS(C)(=O)=O)C1 ZINC001100447121 820424631 /nfs/dbraw/zinc/42/46/31/820424631.db2.gz OYLNHDNXDMUBHR-JXQTWKCFSA-N 2 0 331.482 0.000 20 0 EBADRP C[C@H]([NH2+]C1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1)C(=O)NC(N)=O ZINC001100614340 820487617 /nfs/dbraw/zinc/48/76/17/820487617.db2.gz OSOMSFSZPQOBFM-UNXYVOJBSA-N 2 0 339.440 -0.604 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC2CC([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001100617402 820488874 /nfs/dbraw/zinc/48/88/74/820488874.db2.gz SJCLVGOBFJNGQP-WXRRBKDZSA-N 2 0 336.436 -0.382 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100621245 820490290 /nfs/dbraw/zinc/49/02/90/820490290.db2.gz SOZUVPJDZXCJLW-UHFFFAOYSA-N 2 0 348.513 -0.248 20 0 EBADRP CC(C)[C@H](C(=O)NCC1CC([NH2+]Cc2nc(=O)n(C)[nH]2)C1)[NH+](C)C ZINC001100652003 820499359 /nfs/dbraw/zinc/49/93/59/820499359.db2.gz TXDUHKDTWNCDRD-ORHYLEIMSA-N 2 0 338.456 -0.321 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001100678718 820508398 /nfs/dbraw/zinc/50/83/98/820508398.db2.gz VAQXXKZDDSCXEA-PNESKVBLSA-N 2 0 339.440 -0.732 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC2CC([NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001100678143 820508938 /nfs/dbraw/zinc/50/89/38/820508938.db2.gz AARLCNLTNVVYFJ-HIFPTAJRSA-N 2 0 336.440 -0.565 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001100683693 820511505 /nfs/dbraw/zinc/51/15/05/820511505.db2.gz NQUSTWPQQHAXHD-BPCQOVAHSA-N 2 0 341.456 -0.343 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1 ZINC001100770570 820546613 /nfs/dbraw/zinc/54/66/13/820546613.db2.gz JCKLGGYBYDNUET-UHFFFAOYSA-N 2 0 334.486 -0.638 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1CC([NH2+]CC(=O)NC(=O)NC)C1 ZINC001100769356 820547130 /nfs/dbraw/zinc/54/71/30/820547130.db2.gz GGKPUGLVFRZBAG-UHFFFAOYSA-N 2 0 327.429 -0.732 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+]CC(=O)NCCCOC)C1 ZINC001100829806 820564180 /nfs/dbraw/zinc/56/41/80/820564180.db2.gz LWFMICSSRBKUMK-UHFFFAOYSA-N 2 0 342.484 -0.035 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100870221 820585490 /nfs/dbraw/zinc/58/54/90/820585490.db2.gz CDWZSROLAKZOBD-UHFFFAOYSA-N 2 0 342.484 -0.084 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+]CC(=O)NCCOCC)C1 ZINC001100900258 820594551 /nfs/dbraw/zinc/59/45/51/820594551.db2.gz XVOQOBRFFNICTQ-UHFFFAOYSA-N 2 0 342.484 -0.035 20 0 EBADRP CCOCCNC(=O)C[NH2+]C1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001101039290 820661483 /nfs/dbraw/zinc/66/14/83/820661483.db2.gz DXKVBJYPZJIXSB-UHFFFAOYSA-N 2 0 342.484 -0.036 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001101039697 820661593 /nfs/dbraw/zinc/66/15/93/820661593.db2.gz YVCLXKWYBKLLKB-UHFFFAOYSA-N 2 0 341.456 -0.343 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001292947064 820668602 /nfs/dbraw/zinc/66/86/02/820668602.db2.gz NTZDMKIGVPPKQG-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101351819 820764852 /nfs/dbraw/zinc/76/48/52/820764852.db2.gz NIKMSHPNMMCUEJ-IGCXYCKISA-N 2 0 336.436 -0.476 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102496478 821126501 /nfs/dbraw/zinc/12/65/01/821126501.db2.gz XHLJBEXLNNYVHS-MGPQQGTHSA-N 2 0 338.452 -0.183 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001102496199 821126643 /nfs/dbraw/zinc/12/66/43/821126643.db2.gz JAMCGWXAZSXFHK-CHWSQXEVSA-N 2 0 341.456 -0.532 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102497331 821127297 /nfs/dbraw/zinc/12/72/97/821127297.db2.gz NEEWLHPXPWIYPO-FRRDWIJNSA-N 2 0 341.456 -0.404 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579069 821161642 /nfs/dbraw/zinc/16/16/42/821161642.db2.gz HDOBYVPZLMLSLN-FRRDWIJNSA-N 2 0 339.440 -0.650 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104621651 821523607 /nfs/dbraw/zinc/52/36/07/821523607.db2.gz JOXVQFVWPHSURI-CHWSQXEVSA-N 2 0 341.456 -0.532 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]CCNS(C)(=O)=O ZINC001104625477 821523886 /nfs/dbraw/zinc/52/38/86/821523886.db2.gz OLYINAAKWFZLAJ-ZIAGYGMSSA-N 2 0 348.513 -0.439 20 0 EBADRP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001104625553 821524147 /nfs/dbraw/zinc/52/41/47/821524147.db2.gz RXBVSTURIAPZFQ-JHJVBQTASA-N 2 0 341.456 -0.404 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001104872449 821559696 /nfs/dbraw/zinc/55/96/96/821559696.db2.gz IYGFVPSQONXZIK-CHWSQXEVSA-N 2 0 341.456 -0.403 20 0 EBADRP C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC001105327005 821694484 /nfs/dbraw/zinc/69/44/84/821694484.db2.gz OFOQJZCPTJYBIW-STQMWFEESA-N 2 0 336.440 -0.526 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317072976 821993857 /nfs/dbraw/zinc/99/38/57/821993857.db2.gz MZNDCPAAWUALME-MGPQQGTHSA-N 2 0 326.441 -0.530 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001317113368 822007376 /nfs/dbraw/zinc/00/73/76/822007376.db2.gz MOLLYOZVVVCJLV-BETUJISGSA-N 2 0 346.497 -0.353 20 0 EBADRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CC1 ZINC001317122983 822009713 /nfs/dbraw/zinc/00/97/13/822009713.db2.gz SVQAZZPCCAYBEX-OKILXGFUSA-N 2 0 346.497 -0.496 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001317244196 822044979 /nfs/dbraw/zinc/04/49/79/822044979.db2.gz HAWIEXZSRJFOTQ-STQMWFEESA-N 2 0 339.440 -0.493 20 0 EBADRP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCNS(C)(=O)=O ZINC001317243084 822045182 /nfs/dbraw/zinc/04/51/82/822045182.db2.gz UQXDTJVXBCYGCG-ZDUSSCGKSA-N 2 0 348.513 -0.106 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001317321866 822082035 /nfs/dbraw/zinc/08/20/35/822082035.db2.gz KEOVHVFHVSBXPZ-HOCLYGCPSA-N 2 0 349.479 -0.209 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001317625774 822182994 /nfs/dbraw/zinc/18/29/94/822182994.db2.gz JFABWHTWEUEURM-HUUCEWRRSA-N 2 0 340.468 -0.471 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C[NH2+]CC(N)=O ZINC001106455334 822272682 /nfs/dbraw/zinc/27/26/82/822272682.db2.gz NNRSKOSULOZNEL-TUFIUFKWSA-N 2 0 336.436 -0.981 20 0 EBADRP CC(=O)NCCOCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106627216 822302926 /nfs/dbraw/zinc/30/29/26/822302926.db2.gz XNGXVEYYUAHINT-GDBMZVCRSA-N 2 0 342.484 -0.225 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C1)[NH+](C)C ZINC001106673127 822309755 /nfs/dbraw/zinc/30/97/55/822309755.db2.gz CXOFSJWPSWTHDX-MCIONIFRSA-N 2 0 348.513 -0.440 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)[C@H](C)C1 ZINC001106783363 822330364 /nfs/dbraw/zinc/33/03/64/822330364.db2.gz OHEWRNMFJXLQLW-MCIONIFRSA-N 2 0 338.452 -0.183 20 0 EBADRP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCN1C(=O)CNC1=O ZINC001318593830 822341246 /nfs/dbraw/zinc/34/12/46/822341246.db2.gz CGYKFKIBPIXMEU-QWHCGFSZSA-N 2 0 339.440 -0.636 20 0 EBADRP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106882380 822347879 /nfs/dbraw/zinc/34/78/79/822347879.db2.gz TVDJFFUYNMWXCZ-KFWWJZLASA-N 2 0 325.453 -0.226 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001106908013 822351346 /nfs/dbraw/zinc/35/13/46/822351346.db2.gz LZDHSAQXHUOJRZ-FRRDWIJNSA-N 2 0 341.456 -0.404 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001128533855 828471320 /nfs/dbraw/zinc/47/13/20/828471320.db2.gz RYFFIHXXPUQKHK-GFCCVEGCSA-N 2 0 340.465 -0.737 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001128532939 828471459 /nfs/dbraw/zinc/47/14/59/828471459.db2.gz BROONBXBHANCEK-KBPBESRZSA-N 2 0 346.447 -0.645 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCCCOC ZINC001128774062 828524735 /nfs/dbraw/zinc/52/47/35/828524735.db2.gz KBOSVPVVXAXYOK-CQSZACIVSA-N 2 0 328.457 -0.281 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NCC ZINC001128773755 828524819 /nfs/dbraw/zinc/52/48/19/828524819.db2.gz CYCFNSNWGGQDCN-GFCCVEGCSA-N 2 0 327.429 -0.588 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106983694 823712448 /nfs/dbraw/zinc/71/24/48/823712448.db2.gz FHKDDRYDEXBLMB-ZIAGYGMSSA-N 2 0 331.482 -0.189 20 0 EBADRP C[NH+](C)CCOCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(N)=O)CC2 ZINC001107609477 823890453 /nfs/dbraw/zinc/89/04/53/823890453.db2.gz UPUURZPGQSGKSM-CZUORRHYSA-N 2 0 326.441 -0.589 20 0 EBADRP COCCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129220212 828582440 /nfs/dbraw/zinc/58/24/40/828582440.db2.gz RDLNLGDWHGZJAN-CABCVRRESA-N 2 0 338.456 -0.002 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129329639 828597801 /nfs/dbraw/zinc/59/78/01/828597801.db2.gz YZYQGQUZNADBSW-AWEZNQCLSA-N 2 0 348.513 -0.391 20 0 EBADRP CC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129348577 828603323 /nfs/dbraw/zinc/60/33/23/828603323.db2.gz UEDHZRSZBWUENY-CABCVRRESA-N 2 0 336.440 -0.250 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C1([NH+](C)C)CCC1)C(=O)NC[C@H]1CCCO1 ZINC001129364329 828605933 /nfs/dbraw/zinc/60/59/33/828605933.db2.gz SKHINNLIFWOBJE-ZIAGYGMSSA-N 2 0 340.468 -0.140 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129454244 828622794 /nfs/dbraw/zinc/62/27/94/828622794.db2.gz IBYUABHLYVENDH-CQSZACIVSA-N 2 0 341.456 -0.342 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129454621 828622881 /nfs/dbraw/zinc/62/28/81/828622881.db2.gz MONJNSWDOTVKDX-OCCSQVGLSA-N 2 0 328.457 -0.426 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001129423541 828617364 /nfs/dbraw/zinc/61/73/64/828617364.db2.gz URPHCKPKBCTBJB-VXGBXAGGSA-N 2 0 327.429 -0.462 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C)C(=O)Nc1ncccn1 ZINC001129436192 828618664 /nfs/dbraw/zinc/61/86/64/828618664.db2.gz NEUKTKFYRIGXKD-AAEUAGOBSA-N 2 0 334.424 -0.150 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1)C1CC1 ZINC001129449625 828621663 /nfs/dbraw/zinc/62/16/63/828621663.db2.gz QQRODBUOBGVCFG-GOEBONIOSA-N 2 0 343.468 -0.411 20 0 EBADRP C[N@H+](CC(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1)C1CCC1 ZINC001129535573 828632177 /nfs/dbraw/zinc/63/21/77/828632177.db2.gz XGPRHJLJGXATPW-HNNXBMFYSA-N 2 0 343.468 -0.267 20 0 EBADRP COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129532141 828630648 /nfs/dbraw/zinc/63/06/48/828630648.db2.gz SBHMTHVAAGTYHA-HIFRSBDPSA-N 2 0 331.457 -0.411 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1CC(=O)N(C2C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001108570254 824380626 /nfs/dbraw/zinc/38/06/26/824380626.db2.gz XVANCIZOKZVVGH-KGLIPLIRSA-N 2 0 338.452 -0.624 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+](C)C)C2 ZINC001108756356 824432776 /nfs/dbraw/zinc/43/27/76/824432776.db2.gz HWZUCZKMDGENGY-AVGNSLFASA-N 2 0 339.440 -0.637 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129840825 828680031 /nfs/dbraw/zinc/68/00/31/828680031.db2.gz KELZJONPAWLMQG-ZDUSSCGKSA-N 2 0 334.486 -0.494 20 0 EBADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130009439 828713953 /nfs/dbraw/zinc/71/39/53/828713953.db2.gz OVKRCFQZCUCLFZ-ILXRZTDVSA-N 2 0 338.456 -0.004 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001179585473 832990819 /nfs/dbraw/zinc/99/08/19/832990819.db2.gz IOQZIRQKNVRIBJ-STQMWFEESA-N 2 0 341.456 -0.355 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1 ZINC001130096655 828732279 /nfs/dbraw/zinc/73/22/79/828732279.db2.gz OOLCALHARUTINQ-CABCVRRESA-N 2 0 338.456 -0.002 20 0 EBADRP COCCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130125670 828737072 /nfs/dbraw/zinc/73/70/72/828737072.db2.gz ZRUUUUCVPYSQDX-CABCVRRESA-N 2 0 336.440 -0.248 20 0 EBADRP CCN1CC[C@H]([NH2+]CCNC(=O)C(C)(C)C[NH+]2CCOCC2)C1=O ZINC001130231871 828761095 /nfs/dbraw/zinc/76/10/95/828761095.db2.gz IPFLEVPJUMQUCJ-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001111861639 825329663 /nfs/dbraw/zinc/32/96/63/825329663.db2.gz WXHYHHXWVHUKBY-DCGLDWPTSA-N 2 0 336.436 -0.286 20 0 EBADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939767 825348557 /nfs/dbraw/zinc/34/85/57/825348557.db2.gz RKJFORWLNLVXLV-KEYYUXOJSA-N 2 0 340.468 -0.330 20 0 EBADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939768 825349619 /nfs/dbraw/zinc/34/96/19/825349619.db2.gz RKJFORWLNLVXLV-ZQIUZPCESA-N 2 0 340.468 -0.330 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001130299707 828776586 /nfs/dbraw/zinc/77/65/86/828776586.db2.gz AVCKDNQGZBYUCK-KGLIPLIRSA-N 2 0 346.497 -0.542 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001130300952 828777117 /nfs/dbraw/zinc/77/71/17/828777117.db2.gz YXFNBEONLNVDSW-KBPBESRZSA-N 2 0 326.441 -0.840 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C)CCO1 ZINC001130303890 828777963 /nfs/dbraw/zinc/77/79/63/828777963.db2.gz NHAFLFCTFPRHDL-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001130303420 828778425 /nfs/dbraw/zinc/77/84/25/828778425.db2.gz CALNWQWXBBTEAG-GFCCVEGCSA-N 2 0 325.413 -0.882 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)NC(=O)NC1CC1 ZINC001130305567 828778564 /nfs/dbraw/zinc/77/85/64/828778564.db2.gz FIGQBLWZAMSNQP-DGCLKSJQSA-N 2 0 339.440 -0.447 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130419116 828827699 /nfs/dbraw/zinc/82/76/99/828827699.db2.gz LVIZAMJSTSXNAG-LLVKDONJSA-N 2 0 329.445 -0.343 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+][C@@H](C)C(=O)NCCCOC ZINC001130421920 828828124 /nfs/dbraw/zinc/82/81/24/828828124.db2.gz ORQIIBGAEMWIQO-ZDUSSCGKSA-N 2 0 330.473 -0.036 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+]CCNS(=O)(=O)CC)[C@@H]1C ZINC001179765834 833008751 /nfs/dbraw/zinc/00/87/51/833008751.db2.gz CKAGEDVRPMLRNK-KBPBESRZSA-N 2 0 348.513 -0.154 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+](CC)CC)[C@H]1C ZINC001179763320 833008879 /nfs/dbraw/zinc/00/88/79/833008879.db2.gz HBOJGXYQINCYSG-STQMWFEESA-N 2 0 341.456 -0.247 20 0 EBADRP CCCNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001114290264 826196118 /nfs/dbraw/zinc/19/61/18/826196118.db2.gz FFUWCQNVTXZEKR-LJIGWXMPSA-N 2 0 334.464 -0.099 20 0 EBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C)C(=O)NC(N)=O ZINC001179929370 833027466 /nfs/dbraw/zinc/02/74/66/833027466.db2.gz KGNCUSZJLNCNIT-SRVKXCTJSA-N 2 0 337.424 -0.755 20 0 EBADRP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]21)[NH+](C)C ZINC001114463673 826257118 /nfs/dbraw/zinc/25/71/18/826257118.db2.gz KFBIWGNTJGPIMF-RQJABVFESA-N 2 0 346.497 -0.736 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCN2CCCC2=O)CCN1C(=O)COCC[NH+](C)C ZINC001179934162 833028155 /nfs/dbraw/zinc/02/81/55/833028155.db2.gz UOLKBLRLILIAMB-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001179983060 833031228 /nfs/dbraw/zinc/03/12/28/833031228.db2.gz KGJOUNWAEHKKNS-SRVKXCTJSA-N 2 0 327.429 -0.509 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001114663291 826314994 /nfs/dbraw/zinc/31/49/94/826314994.db2.gz SNLYSDYGZZOLOL-KBXIAJHMSA-N 2 0 325.453 -0.086 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCCC4)C[C@H]32)CC1 ZINC001114740825 826330005 /nfs/dbraw/zinc/33/00/05/826330005.db2.gz CDQZYLPOXJGYFJ-FOLVSLTJSA-N 2 0 334.464 -0.003 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC001114746707 826332264 /nfs/dbraw/zinc/33/22/64/826332264.db2.gz XYFBFJUKHPTDBM-KZVDOYCCSA-N 2 0 334.420 -0.820 20 0 EBADRP COCCOC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750924 826332410 /nfs/dbraw/zinc/33/24/10/826332410.db2.gz QZTNGKHWIODWGU-AIANPOQGSA-N 2 0 343.468 -0.602 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC001115013046 826399879 /nfs/dbraw/zinc/39/98/79/826399879.db2.gz FLWQLMRCDRPGOE-LJIGWXMPSA-N 2 0 325.453 -0.228 20 0 EBADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC1CC[NH+](C)CC1 ZINC001115039220 826406183 /nfs/dbraw/zinc/40/61/83/826406183.db2.gz UOOVTMCMFOTAGS-UYHMYPTGSA-N 2 0 338.452 -0.722 20 0 EBADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC1CC[NH+](C)CC1 ZINC001115039009 826406215 /nfs/dbraw/zinc/40/62/15/826406215.db2.gz RLWXZRMUKXKPPA-KNCOVGOOSA-N 2 0 338.452 -0.593 20 0 EBADRP CCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126228 826428330 /nfs/dbraw/zinc/42/83/30/826428330.db2.gz KTMFSXFLBKEKJB-TTZDDIAXSA-N 2 0 340.468 -0.474 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCOCCO)C[C@H]21 ZINC001115300320 826502640 /nfs/dbraw/zinc/50/26/40/826502640.db2.gz PPAICBNEZRZFMC-QXSJWSMHSA-N 2 0 325.453 -0.084 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001180369754 833077890 /nfs/dbraw/zinc/07/78/90/833077890.db2.gz VPEFEBJJASFPEP-UHFFFAOYSA-N 2 0 329.445 -0.212 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CSCC(=O)N1 ZINC001180551123 833090092 /nfs/dbraw/zinc/09/00/92/833090092.db2.gz SKDSYTGBOBNOAV-CYBMUJFWSA-N 2 0 330.498 -0.050 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)Nc2cnns2)C[C@H]1C[NH+](C)C ZINC001119095902 827063447 /nfs/dbraw/zinc/06/34/47/827063447.db2.gz FVLOOQBOWITPKV-GHMZBOCLSA-N 2 0 340.453 -0.326 20 0 EBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC001119352386 827101223 /nfs/dbraw/zinc/10/12/23/827101223.db2.gz CECMKZITCYSPIO-QLFBSQMISA-N 2 0 349.479 -0.766 20 0 EBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC001120520282 827238804 /nfs/dbraw/zinc/23/88/04/827238804.db2.gz KSFTXKSQJNJWSB-KGLIPLIRSA-N 2 0 338.452 -0.447 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001181651297 833170625 /nfs/dbraw/zinc/17/06/25/833170625.db2.gz AKOICZJVZVVFGP-CABCVRRESA-N 2 0 338.452 -0.434 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001181652095 833170782 /nfs/dbraw/zinc/17/07/82/833170782.db2.gz ISQMFSITIUSEDZ-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001181673194 833172935 /nfs/dbraw/zinc/17/29/35/833172935.db2.gz FTDHJAKXEBTNAD-CHWSQXEVSA-N 2 0 332.470 -0.790 20 0 EBADRP C[NH+]1CCC(OCC(=O)NC2CC3(C2)CC([NH2+]CC(N)=O)C3)CC1 ZINC001121969607 827493238 /nfs/dbraw/zinc/49/32/38/827493238.db2.gz VKAZOOLAAZCNPY-UHFFFAOYSA-N 2 0 338.452 -0.401 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@@H](C)O1 ZINC001121983065 827495110 /nfs/dbraw/zinc/49/51/10/827495110.db2.gz WMESKERLZYBTQN-MGPQQGTHSA-N 2 0 338.452 -0.578 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001182965486 833271156 /nfs/dbraw/zinc/27/11/56/833271156.db2.gz ZXLYNHFKKQRUOR-GHMZBOCLSA-N 2 0 331.392 -0.948 20 0 EBADRP CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124866622 827969495 /nfs/dbraw/zinc/96/94/95/827969495.db2.gz HHNOJKSGTSNQPN-KGLIPLIRSA-N 2 0 328.457 -0.282 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001124867737 827969652 /nfs/dbraw/zinc/96/96/52/827969652.db2.gz YVGRFYQLNUVTJL-LLVKDONJSA-N 2 0 325.413 -0.883 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COCc1ccco1 ZINC001124867125 827969660 /nfs/dbraw/zinc/96/96/60/827969660.db2.gz SGFXEUZYSJYSDL-HIFRSBDPSA-N 2 0 325.409 -0.043 20 0 EBADRP CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124866623 827969821 /nfs/dbraw/zinc/96/98/21/827969821.db2.gz HHNOJKSGTSNQPN-UONOGXRCSA-N 2 0 328.457 -0.282 20 0 EBADRP C[C@@H]([NH2+]C[C@]1(C)CN(C(=O)COCC[NH+](C)C)C[C@H]1C)C(N)=O ZINC001183164862 833282369 /nfs/dbraw/zinc/28/23/69/833282369.db2.gz BZKVRIIUMHNKGH-XJKCOSOUSA-N 2 0 328.457 -0.487 20 0 EBADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001183230257 833284049 /nfs/dbraw/zinc/28/40/49/833284049.db2.gz WNCSGWKLMKFFJI-CABCVRRESA-N 2 0 343.468 -0.315 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001183288284 833285647 /nfs/dbraw/zinc/28/56/47/833285647.db2.gz BXYLNJTUGUQRSA-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]C[C@H](O)COCCOC)C1 ZINC001183760388 833305143 /nfs/dbraw/zinc/30/51/43/833305143.db2.gz XHINXTRABVSRKC-CABCVRRESA-N 2 0 345.484 -0.069 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127078144 828248047 /nfs/dbraw/zinc/24/80/47/828248047.db2.gz MVBOLUQNFOKNLV-CABCVRRESA-N 2 0 331.457 -0.411 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475296 828297422 /nfs/dbraw/zinc/29/74/22/828297422.db2.gz SQBYWUMTNMZHHQ-WCQYABFASA-N 2 0 339.440 -0.732 20 0 EBADRP CS(=O)(=O)CC1(C[NH2+]CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001127481776 828298065 /nfs/dbraw/zinc/29/80/65/828298065.db2.gz WUXLTDQWZNWYDU-CQSZACIVSA-N 2 0 343.493 -0.141 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1)C(=O)NC1CC1 ZINC001127562355 828303432 /nfs/dbraw/zinc/30/34/32/828303432.db2.gz IGRZXEARQJZNQA-LBPRGKRZSA-N 2 0 336.440 -0.569 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NCC[NH2+]CCNC(=O)C2CC2)n1 ZINC001127562554 828304101 /nfs/dbraw/zinc/30/41/01/828304101.db2.gz MAFPIAUQVRDDAQ-UHFFFAOYSA-N 2 0 336.440 -0.710 20 0 EBADRP COc1nccc(C[NH2+]CCNC(=O)c2ccn(CC[NH+](C)C)n2)n1 ZINC001127576623 828304664 /nfs/dbraw/zinc/30/46/64/828304664.db2.gz UNBUAVMLCGCSLE-UHFFFAOYSA-N 2 0 347.423 -0.237 20 0 EBADRP CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127659446 828312094 /nfs/dbraw/zinc/31/20/94/828312094.db2.gz AWQOCZYGIAFLFD-RRFJBIMHSA-N 2 0 342.484 -0.036 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127659538 828312214 /nfs/dbraw/zinc/31/22/14/828312214.db2.gz FDOOFVVTVCQVEG-JHJVBQTASA-N 2 0 341.456 -0.345 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NCCCOC)CC[N@@H+]1C ZINC001127695479 828314816 /nfs/dbraw/zinc/31/48/16/828314816.db2.gz NMOMLOHIVMEPGX-UONOGXRCSA-N 2 0 328.457 -0.425 20 0 EBADRP CCC(CC)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127760976 828321248 /nfs/dbraw/zinc/32/12/48/828321248.db2.gz WTOFGYIARNDCJY-HUUCEWRRSA-N 2 0 340.468 -0.140 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccon1 ZINC001127760873 828322256 /nfs/dbraw/zinc/32/22/56/828322256.db2.gz TYZBJPQOZTZMTM-NEPJUHHUSA-N 2 0 337.380 -0.818 20 0 EBADRP COc1ncc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(C)n1 ZINC001127777693 828325518 /nfs/dbraw/zinc/32/55/18/828325518.db2.gz BFYCJIXQQKCSOI-GJZGRUSLSA-N 2 0 349.435 -0.137 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779955 828327062 /nfs/dbraw/zinc/32/70/62/828327062.db2.gz UKRXOLQIRQHXRW-KBPBESRZSA-N 2 0 326.441 -0.578 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1)C(=O)NC(N)=O ZINC001184309262 833326680 /nfs/dbraw/zinc/32/66/80/833326680.db2.gz BKPMZQYHMGZQEN-ZYHUDNBSSA-N 2 0 344.375 -0.278 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001130669301 828911094 /nfs/dbraw/zinc/91/10/94/828911094.db2.gz FLLUZQDSNZOTKV-MBNYWOFBSA-N 2 0 336.440 -0.870 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001130711650 828920793 /nfs/dbraw/zinc/92/07/93/828920793.db2.gz ZHLHLVUMUDKDLZ-ZDUSSCGKSA-N 2 0 341.456 -0.342 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130805852 828944435 /nfs/dbraw/zinc/94/44/35/828944435.db2.gz PHMFBPIMRXDEQB-UHFFFAOYSA-N 2 0 326.441 -0.527 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130810172 828944923 /nfs/dbraw/zinc/94/49/23/828944923.db2.gz OTXMIYVQQYSMJH-CQSZACIVSA-N 2 0 340.468 -0.138 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001184858047 833341827 /nfs/dbraw/zinc/34/18/27/833341827.db2.gz FZSCQZALBDQMDY-QLFBSQMISA-N 2 0 338.452 -0.434 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130874898 828985628 /nfs/dbraw/zinc/98/56/28/828985628.db2.gz SKGATIQFUHKGLQ-OAHLLOKOSA-N 2 0 336.392 -0.322 20 0 EBADRP O=C(NCC[NH2+]CCN1C(=O)CCC1=O)c1ccn2c[nH+]cc2c1 ZINC001130874863 828985999 /nfs/dbraw/zinc/98/59/99/828985999.db2.gz QXOLSZKULHKXHU-UHFFFAOYSA-N 2 0 329.360 -0.197 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001184877576 833342525 /nfs/dbraw/zinc/34/25/25/833342525.db2.gz UJJOFUWEYRWTPO-RBSFLKMASA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C[NH2+]CCNS(C)(=O)=O ZINC001185083580 833346258 /nfs/dbraw/zinc/34/62/58/833346258.db2.gz GYIGQLVWAVKREK-UONOGXRCSA-N 2 0 348.513 -0.439 20 0 EBADRP CN(CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)S(C)(=O)=O ZINC001185249122 833351158 /nfs/dbraw/zinc/35/11/58/833351158.db2.gz OWOLCOVSHDDHCM-CYBMUJFWSA-N 2 0 334.486 -0.590 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001185248357 833351272 /nfs/dbraw/zinc/35/12/72/833351272.db2.gz CWHSPGGQGWVBKB-CQSZACIVSA-N 2 0 346.497 -0.446 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2cnccn2)C1 ZINC001185249467 833351421 /nfs/dbraw/zinc/35/14/21/833351421.db2.gz YPSAWQIIFWXTGW-CYBMUJFWSA-N 2 0 334.424 -0.053 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185265979 833353044 /nfs/dbraw/zinc/35/30/44/833353044.db2.gz VUASQPFXCPCACL-CQSZACIVSA-N 2 0 348.513 -0.200 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001185264726 833353091 /nfs/dbraw/zinc/35/30/91/833353091.db2.gz FIRBIFNRSDTTLN-CYBMUJFWSA-N 2 0 339.440 -0.539 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001185261517 833353182 /nfs/dbraw/zinc/35/31/82/833353182.db2.gz GVBAPUHGEWRPPQ-INIZCTEOSA-N 2 0 332.448 -0.011 20 0 EBADRP C[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]C[C@@H](O)Cn3cccn3)C2)CC1 ZINC001185385890 833357030 /nfs/dbraw/zinc/35/70/30/833357030.db2.gz WKXWQLAUCXQLNJ-HZPDHXFCSA-N 2 0 335.452 -0.224 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001185416487 833358361 /nfs/dbraw/zinc/35/83/61/833358361.db2.gz WXCBQBHUSNXDML-GFCCVEGCSA-N 2 0 341.456 -0.247 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001185505291 833360796 /nfs/dbraw/zinc/36/07/96/833360796.db2.gz ZZPKBKZQHZWGOJ-HUUCEWRRSA-N 2 0 342.484 -0.225 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131370490 829116446 /nfs/dbraw/zinc/11/64/46/829116446.db2.gz LWJHKFUDOUPOOD-UHFFFAOYSA-N 2 0 333.392 -0.194 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2cnccn2)C1)[NH+](C)C ZINC001185706333 833367792 /nfs/dbraw/zinc/36/77/92/833367792.db2.gz MYRZYRDLUOOYQL-OLZOCXBDSA-N 2 0 334.424 -0.054 20 0 EBADRP Cc1nnsc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520026 829152759 /nfs/dbraw/zinc/15/27/59/829152759.db2.gz RIEFGSZUKAMJHE-MQYJIDSJSA-N 2 0 337.449 -0.084 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C(=O)NC1CC1 ZINC001131521864 829153511 /nfs/dbraw/zinc/15/35/11/829153511.db2.gz JZJHGIVAIXROSG-NYYRHTKUSA-N 2 0 336.436 -0.778 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)Nc1ccon1 ZINC001131522019 829153977 /nfs/dbraw/zinc/15/39/77/829153977.db2.gz PNAJACSEIVTFIH-BWBHSNQOSA-N 2 0 349.391 -0.818 20 0 EBADRP O=C(NCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CC1 ZINC001131522014 829154433 /nfs/dbraw/zinc/15/44/33/829154433.db2.gz PKPBMVFGBDLUBM-KDJCLPLCSA-N 2 0 336.436 -0.918 20 0 EBADRP O=C(NCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CC1 ZINC001131522015 829154484 /nfs/dbraw/zinc/15/44/84/829154484.db2.gz PKPBMVFGBDLUBM-TVIZTDCDSA-N 2 0 336.436 -0.918 20 0 EBADRP O=C(NCC[NH2+]CCO[C@@H]1CC1(F)F)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131522276 829154599 /nfs/dbraw/zinc/15/45/99/829154599.db2.gz ZTKZEWAZRWZZEK-SBEAFCBVSA-N 2 0 345.390 -0.020 20 0 EBADRP COCC[N@@H+]1CC[C@]2(C1)CN(C(=O)COCC[NH+](C)C)C[C@@H](C)O2 ZINC001131692499 829187426 /nfs/dbraw/zinc/18/74/26/829187426.db2.gz HSNKBBZLFFVUQC-WBVHZDCISA-N 2 0 343.468 -0.097 20 0 EBADRP CN(CC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)S(C)(=O)=O ZINC001131790672 829218455 /nfs/dbraw/zinc/21/84/55/829218455.db2.gz SAAPVPJWSJUZLS-CQSZACIVSA-N 2 0 346.497 -0.542 20 0 EBADRP C[N@H+](CCC(=O)NCC[NH2+]CCNS(C)(=O)=O)C1CCCCC1 ZINC001131821496 829227617 /nfs/dbraw/zinc/22/76/17/829227617.db2.gz ANMFNWDMSWEISV-UHFFFAOYSA-N 2 0 348.513 -0.104 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131835237 829238591 /nfs/dbraw/zinc/23/85/91/829238591.db2.gz PUCLHKYVDUEDPJ-UHFFFAOYSA-N 2 0 341.456 -0.198 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186310332 833395966 /nfs/dbraw/zinc/39/59/66/833395966.db2.gz LYKWZGKLUVTFEZ-HUUCEWRRSA-N 2 0 325.453 -0.082 20 0 EBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC12CCOCC2)C(N)=O ZINC001186473031 833403242 /nfs/dbraw/zinc/40/32/42/833403242.db2.gz NKKMZQXOVZWOPZ-ZIAGYGMSSA-N 2 0 340.468 -0.343 20 0 EBADRP CC(C)(C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1)[NH+]1CCCC1 ZINC001132283663 829405758 /nfs/dbraw/zinc/40/57/58/829405758.db2.gz BUIUYHBJMDQLGK-CQSZACIVSA-N 2 0 340.468 -0.138 20 0 EBADRP COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132283993 829405865 /nfs/dbraw/zinc/40/58/65/829405865.db2.gz RCLRGVQPEUQLIH-GJZGRUSLSA-N 2 0 345.484 -0.021 20 0 EBADRP COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132283992 829405880 /nfs/dbraw/zinc/40/58/80/829405880.db2.gz RCLRGVQPEUQLIH-CABCVRRESA-N 2 0 345.484 -0.021 20 0 EBADRP CN(CC[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1)S(C)(=O)=O ZINC001132284061 829405983 /nfs/dbraw/zinc/40/59/83/829405983.db2.gz UKRTUVQLUSIYBT-UHFFFAOYSA-N 2 0 334.486 -0.542 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186552976 833405598 /nfs/dbraw/zinc/40/55/98/833405598.db2.gz MSEGMTVZNBHNJA-AWEZNQCLSA-N 2 0 340.468 -0.342 20 0 EBADRP C[C@H]1CC[C@H](NC(=O)COCC[NH+](C)C)C[N@@H+]1CCOCCO ZINC001132425505 829454238 /nfs/dbraw/zinc/45/42/38/829454238.db2.gz ILPRODFLFFQAMU-GJZGRUSLSA-N 2 0 331.457 -0.457 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+]CC(=O)NCCOCC)C1 ZINC001132737905 829512319 /nfs/dbraw/zinc/51/23/19/829512319.db2.gz SGDKVCPIPGNRCF-OAHLLOKOSA-N 2 0 342.484 -0.033 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCCN2CCCC2=O)C1 ZINC001132844064 829532717 /nfs/dbraw/zinc/53/27/17/829532717.db2.gz FVIPRCFYGMSLDK-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCCS(C)(=O)=O)C1 ZINC001132848950 829534234 /nfs/dbraw/zinc/53/42/34/829534234.db2.gz XIDGQMZIJHJPLG-CYBMUJFWSA-N 2 0 335.470 -0.764 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001132848964 829534781 /nfs/dbraw/zinc/53/47/81/829534781.db2.gz XLARELMHETYVSD-UONOGXRCSA-N 2 0 347.481 -0.764 20 0 EBADRP CC(C)N1CC[C@H]([NH2+]CCNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1=O ZINC001132852111 829536133 /nfs/dbraw/zinc/53/61/33/829536133.db2.gz HYKCYFOZWLAIOB-LSDHHAIUSA-N 2 0 340.468 -0.189 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)N2CCCC2)C1 ZINC001132852064 829536479 /nfs/dbraw/zinc/53/64/79/829536479.db2.gz GRSAJFILHYENQM-AWEZNQCLSA-N 2 0 326.441 -0.576 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132992556 829568232 /nfs/dbraw/zinc/56/82/32/829568232.db2.gz BQFKAKLVFIAOEH-NSHDSACASA-N 2 0 327.429 -0.732 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]C[C@H](O)COC2CCOCC2)CC1 ZINC001132995564 829569035 /nfs/dbraw/zinc/56/90/35/829569035.db2.gz YLERGTKYIHUDEM-AWEZNQCLSA-N 2 0 343.468 -0.410 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132998281 829570309 /nfs/dbraw/zinc/57/03/09/829570309.db2.gz RHNBXRCVGGPGIF-ZDUSSCGKSA-N 2 0 328.457 -0.425 20 0 EBADRP CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133051326 829577724 /nfs/dbraw/zinc/57/77/24/829577724.db2.gz DJNTZBMRWIGRLB-UHFFFAOYSA-N 2 0 338.456 -0.574 20 0 EBADRP CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133051708 829578616 /nfs/dbraw/zinc/57/86/16/829578616.db2.gz LYQMEJBBCAMNPR-UHFFFAOYSA-N 2 0 343.472 -0.981 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133285629 829614560 /nfs/dbraw/zinc/61/45/60/829614560.db2.gz AOIQATRCYCMYFZ-UHFFFAOYSA-N 2 0 327.429 -0.730 20 0 EBADRP C[NH+]1CCC(C(=O)NCC[NH2+]CC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001133288399 829615712 /nfs/dbraw/zinc/61/57/12/829615712.db2.gz WYQSICAZJGETEA-CYBMUJFWSA-N 2 0 331.482 -0.141 20 0 EBADRP C[NH+]1CCC(C(=O)NCC[NH2+]CC2(CS(C)(=O)=O)CC2)CC1 ZINC001133287573 829616233 /nfs/dbraw/zinc/61/62/33/829616233.db2.gz JDFAEYGHXOUPIF-UHFFFAOYSA-N 2 0 331.482 -0.141 20 0 EBADRP CC(C)[C@H](C(=O)NCC[NH2+]CC(=O)N1CCO[C@H](C)C1)[NH+](C)C ZINC001133434364 829631166 /nfs/dbraw/zinc/63/11/66/829631166.db2.gz NZXQBQNEEUMOSD-UKRRQHHQSA-N 2 0 328.457 -0.474 20 0 EBADRP CC(C)[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)[NH+](C)C ZINC001133434175 829631635 /nfs/dbraw/zinc/63/16/35/829631635.db2.gz JSXAPXSSIRHGHJ-CYBMUJFWSA-N 2 0 343.472 -0.097 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133820000 829679214 /nfs/dbraw/zinc/67/92/14/829679214.db2.gz UXWRZZIVMHZVRC-ZDUSSCGKSA-N 2 0 334.486 -0.494 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001133823981 829681378 /nfs/dbraw/zinc/68/13/78/829681378.db2.gz UYYYSOVWUBBRKD-KBPBESRZSA-N 2 0 346.497 -0.542 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001133845536 829684912 /nfs/dbraw/zinc/68/49/12/829684912.db2.gz IETZTHKKCHBEGV-UONOGXRCSA-N 2 0 346.497 -0.685 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133850684 829686809 /nfs/dbraw/zinc/68/68/09/829686809.db2.gz QAHQHNUCAXALIG-KBPBESRZSA-N 2 0 328.457 -0.425 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133849813 829686994 /nfs/dbraw/zinc/68/69/94/829686994.db2.gz DXJVHEUBQBNSPH-CHWSQXEVSA-N 2 0 341.456 -0.343 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001133853914 829688754 /nfs/dbraw/zinc/68/87/54/829688754.db2.gz UDQQEQBYBANPDT-CYBMUJFWSA-N 2 0 326.441 -0.671 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)n(C)n1 ZINC001133866738 829689191 /nfs/dbraw/zinc/68/91/91/829689191.db2.gz OOAAXDMVFKDXNM-AAEUAGOBSA-N 2 0 336.440 -0.429 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133905460 829696358 /nfs/dbraw/zinc/69/63/58/829696358.db2.gz AQYAYPHNXSZOQB-CQSZACIVSA-N 2 0 333.473 -0.306 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133899545 829696406 /nfs/dbraw/zinc/69/64/06/829696406.db2.gz LHWAPOUFDFDFSW-UHFFFAOYSA-N 2 0 330.473 -0.177 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C)CCO1 ZINC001133908264 829697408 /nfs/dbraw/zinc/69/74/08/829697408.db2.gz JYGNEXSPMQDSEJ-AWEZNQCLSA-N 2 0 342.484 -0.083 20 0 EBADRP C[C@H](COCC(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C)[NH+]1CCCC1 ZINC001134020434 829713075 /nfs/dbraw/zinc/71/30/75/829713075.db2.gz AQBJPMRNCKWMHO-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134021255 829714620 /nfs/dbraw/zinc/71/46/20/829714620.db2.gz WHKZAFRCPJJMBL-HNNXBMFYSA-N 2 0 342.484 -0.035 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001134763051 829841616 /nfs/dbraw/zinc/84/16/16/829841616.db2.gz KDTCFRRGIWTEGK-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001134767055 829841656 /nfs/dbraw/zinc/84/16/56/829841656.db2.gz QUZAACDGGDKDKP-ZDUSSCGKSA-N 2 0 339.440 -0.493 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135093351 829897147 /nfs/dbraw/zinc/89/71/47/829897147.db2.gz LQFLFLPBJAESLY-GJZGRUSLSA-N 2 0 340.468 -0.138 20 0 EBADRP O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135102272 829898400 /nfs/dbraw/zinc/89/84/00/829898400.db2.gz BMYYUKPXMJQOFT-QWHCGFSZSA-N 2 0 337.424 -0.739 20 0 EBADRP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135118981 829899931 /nfs/dbraw/zinc/89/99/31/829899931.db2.gz UCKDXGZAPHJCEA-CYBMUJFWSA-N 2 0 338.456 -0.321 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135314756 829943637 /nfs/dbraw/zinc/94/36/37/829943637.db2.gz GQWGWBCKKIYVNS-NWDGAFQWSA-N 2 0 329.445 -0.343 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)CCC[NH+](C)C ZINC001135316356 829943733 /nfs/dbraw/zinc/94/37/33/829943733.db2.gz UUQQSPFYQZLTLH-CHWSQXEVSA-N 2 0 341.456 -0.247 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135373200 829955435 /nfs/dbraw/zinc/95/54/35/829955435.db2.gz VIHOKPMXKROZJZ-UONOGXRCSA-N 2 0 330.473 -0.036 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001135373620 829956532 /nfs/dbraw/zinc/95/65/32/829956532.db2.gz XPSFDFLRXQNMRM-NEPJUHHUSA-N 2 0 341.456 -0.201 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001135513650 829980162 /nfs/dbraw/zinc/98/01/62/829980162.db2.gz SYMXAMJOPJFOAE-KGLIPLIRSA-N 2 0 328.457 -0.282 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC(C)C ZINC001135513354 829980295 /nfs/dbraw/zinc/98/02/95/829980295.db2.gz MSKWMJSMESKTBI-GFCCVEGCSA-N 2 0 329.445 -0.343 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135767555 830021874 /nfs/dbraw/zinc/02/18/74/830021874.db2.gz FOSAQMWIEFRTIZ-QWHCGFSZSA-N 2 0 341.456 -0.214 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC(=O)NC(N)=O ZINC001135767554 830022099 /nfs/dbraw/zinc/02/20/99/830022099.db2.gz FOSAQMWIEFRTIZ-OLZOCXBDSA-N 2 0 341.456 -0.214 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]Cc1cnnn1C)NC(=O)COCC[NH+](C)C ZINC001135922727 830046387 /nfs/dbraw/zinc/04/63/87/830046387.db2.gz AGPGGEVHWJYSNJ-QWHCGFSZSA-N 2 0 326.445 -0.234 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]Cc1ncnn1C)NC(=O)COCC[NH+](C)C ZINC001135923052 830046807 /nfs/dbraw/zinc/04/68/07/830046807.db2.gz GKLGJPWLNKCTQE-STQMWFEESA-N 2 0 326.445 -0.234 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)COCC[NH+](C)C)[NH2+]CC(=O)NCC1CC1 ZINC001135924102 830047850 /nfs/dbraw/zinc/04/78/50/830047850.db2.gz QOSVQNWPRMQQPJ-KGLIPLIRSA-N 2 0 342.484 -0.036 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]CC(=O)NC2CCCC2)CC1 ZINC001135960090 830051983 /nfs/dbraw/zinc/05/19/83/830051983.db2.gz YHKUXJJIMPOZSS-UHFFFAOYSA-N 2 0 340.468 -0.138 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]CCNC(=O)C2CC2)CC1 ZINC001135963214 830052620 /nfs/dbraw/zinc/05/26/20/830052620.db2.gz BFMLOSXGGAQVQG-UHFFFAOYSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)COC1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001135963432 830053306 /nfs/dbraw/zinc/05/33/06/830053306.db2.gz LKYYISYJYWXBRY-GFCCVEGCSA-N 2 0 326.441 -0.530 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001211257857 837418701 /nfs/dbraw/zinc/41/87/01/837418701.db2.gz VVZOLARUDHKNLW-STQMWFEESA-N 2 0 339.440 -0.364 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CCN1CCNC1=O)NC(=O)C[NH+]1CCCC1 ZINC001146396942 830195800 /nfs/dbraw/zinc/19/58/00/830195800.db2.gz CBXYMZHVDKJNBJ-ZIAGYGMSSA-N 2 0 325.457 -0.020 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001146601107 830212943 /nfs/dbraw/zinc/21/29/43/830212943.db2.gz JYDKFDIZCKYYHK-OLZOCXBDSA-N 2 0 341.456 -0.249 20 0 EBADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001147359004 830326264 /nfs/dbraw/zinc/32/62/64/830326264.db2.gz LBIXVDNFRVRHLX-ZDUSSCGKSA-N 2 0 341.456 -0.198 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)Nc2nncs2)C1 ZINC001147884558 830425330 /nfs/dbraw/zinc/42/53/30/830425330.db2.gz FRBZRDSSMIOUHU-JTQLQIEISA-N 2 0 326.426 -0.476 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001147886588 830425745 /nfs/dbraw/zinc/42/57/45/830425745.db2.gz XZYHOJYDLZIDAO-ZIAGYGMSSA-N 2 0 331.482 -0.141 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001147884909 830425799 /nfs/dbraw/zinc/42/57/99/830425799.db2.gz HUWUXBCSSKFWHR-KGLIPLIRSA-N 2 0 326.441 -0.983 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001147885327 830425876 /nfs/dbraw/zinc/42/58/76/830425876.db2.gz LZLUTBJJGLLLSV-UONOGXRCSA-N 2 0 326.441 -0.671 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC001147886351 830426263 /nfs/dbraw/zinc/42/62/63/830426263.db2.gz VFTOJGHLTYQHAO-CYBMUJFWSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)C[C@H]2CC[N@H+](C)C2)CCO1 ZINC001147892947 830427160 /nfs/dbraw/zinc/42/71/60/830427160.db2.gz MAGAMJIDBZFYBV-UONOGXRCSA-N 2 0 326.441 -0.719 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]C[C@@H](O)COc1ccccc1 ZINC001147894157 830427453 /nfs/dbraw/zinc/42/74/53/830427453.db2.gz ZMWAKKBSSXCHGP-OAHLLOKOSA-N 2 0 339.436 -0.290 20 0 EBADRP CS(=O)(=O)CC1(C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001147976858 830433633 /nfs/dbraw/zinc/43/36/33/830433633.db2.gz CKERVCHEHLBYNF-UHFFFAOYSA-N 2 0 329.466 -0.387 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148051534 830444464 /nfs/dbraw/zinc/44/44/64/830444464.db2.gz NKALPKDSHIBXIK-UHFFFAOYSA-N 2 0 337.424 -0.380 20 0 EBADRP C[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](CCN1C(=O)CCC1=O)C2 ZINC001148215549 830457514 /nfs/dbraw/zinc/45/75/14/830457514.db2.gz AVPJJLFUQVJDQB-UHFFFAOYSA-N 2 0 336.436 -0.379 20 0 EBADRP COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148360509 830475548 /nfs/dbraw/zinc/47/55/48/830475548.db2.gz WIGHWSNREULQBF-CABCVRRESA-N 2 0 333.473 -0.164 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC2(C1)CC[N@H+](CCN1CCNC1=O)C2 ZINC001148469766 830493165 /nfs/dbraw/zinc/49/31/65/830493165.db2.gz UPVPCSFBFXURQP-UHFFFAOYSA-N 2 0 337.468 -0.112 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC3(C2)CC[NH+](CCOCCO)C3)C1 ZINC001148604944 830515890 /nfs/dbraw/zinc/51/58/90/830515890.db2.gz KVDGEYIPVWSRPM-OAHLLOKOSA-N 2 0 325.453 -0.129 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)NCC(=O)NC(C)(C)C ZINC001148638054 830521241 /nfs/dbraw/zinc/52/12/41/830521241.db2.gz ABBXOYNGQWOHBT-UHFFFAOYSA-N 2 0 343.472 -0.935 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148748245 830536660 /nfs/dbraw/zinc/53/66/60/830536660.db2.gz MTCIACBVBWCUDO-NWDGAFQWSA-N 2 0 337.424 -0.944 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](CCOCCO)CCCO2)CC[N@@H+]1C ZINC001149733509 830737384 /nfs/dbraw/zinc/73/73/84/830737384.db2.gz GZQDVFAXHLPOHE-OWCLPIDISA-N 2 0 343.468 -0.457 20 0 EBADRP CC[C@H](C(=O)NC[C@H]1C[N@H+](CCOCCO)CCCO1)[NH+](C)C ZINC001149886592 830775987 /nfs/dbraw/zinc/77/59/87/830775987.db2.gz AWTHNWNZWDLMAG-LSDHHAIUSA-N 2 0 331.457 -0.457 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](CCOCCO)CCCO1 ZINC001149936361 830784331 /nfs/dbraw/zinc/78/43/31/830784331.db2.gz CVIKIWVSSBTBRB-OAHLLOKOSA-N 2 0 345.484 -0.067 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150193051 830835221 /nfs/dbraw/zinc/83/52/21/830835221.db2.gz LIVIPFRKVWDSSV-GJZGRUSLSA-N 2 0 331.457 -0.457 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H]1C[NH+](CCOCCO)CCCO1 ZINC001150318600 830862005 /nfs/dbraw/zinc/86/20/05/830862005.db2.gz SFIKYGNBCXGECO-CVEARBPZSA-N 2 0 343.468 -0.313 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(=O)NC(C)(C)C ZINC001151049680 831016933 /nfs/dbraw/zinc/01/69/33/831016933.db2.gz WAERSSFNVIUKKO-VXGBXAGGSA-N 2 0 341.456 -0.343 20 0 EBADRP Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)[C@@H]3CC[N@H+](C)C3)C2=O)n1 ZINC001151066278 831019551 /nfs/dbraw/zinc/01/95/51/831019551.db2.gz RKXYVCFFGYFNOE-OLZOCXBDSA-N 2 0 334.424 -0.817 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001151156463 831034556 /nfs/dbraw/zinc/03/45/56/831034556.db2.gz CYQPJPGYCROPOK-ZIAGYGMSSA-N 2 0 336.440 -0.561 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001151158525 831035363 /nfs/dbraw/zinc/03/53/63/831035363.db2.gz PCSQVBLRUXYUSO-UONOGXRCSA-N 2 0 347.481 -0.905 20 0 EBADRP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151159962 831036336 /nfs/dbraw/zinc/03/63/36/831036336.db2.gz VRZVISGZVCTJME-KGLIPLIRSA-N 2 0 328.457 -0.425 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)CCC[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001151361690 831061149 /nfs/dbraw/zinc/06/11/49/831061149.db2.gz NTTFDQXQZIJFPB-GFCCVEGCSA-N 2 0 327.429 -0.458 20 0 EBADRP COCCC1(NC(=O)COCC[NH+](C)C)CC[NH+](C[C@H](C)O)CC1 ZINC001151392560 831069574 /nfs/dbraw/zinc/06/95/74/831069574.db2.gz KRFKGMGLJWLXBV-HNNXBMFYSA-N 2 0 345.484 -0.067 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001152148428 831134133 /nfs/dbraw/zinc/13/41/33/831134133.db2.gz PTOQYMURNOSXRK-OKILXGFUSA-N 2 0 346.497 -0.400 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001152146371 831134330 /nfs/dbraw/zinc/13/43/30/831134330.db2.gz IUHJXZWPCQZCIP-RYUDHWBXSA-N 2 0 325.413 -0.883 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152230868 831143565 /nfs/dbraw/zinc/14/35/65/831143565.db2.gz ORDIJJLZHWMJCD-OAHLLOKOSA-N 2 0 331.457 -0.408 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001152452120 831164165 /nfs/dbraw/zinc/16/41/65/831164165.db2.gz SPZWKRSIYPAMCB-LSDHHAIUSA-N 2 0 340.468 -0.138 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCCCOC ZINC001152451958 831164427 /nfs/dbraw/zinc/16/44/27/831164427.db2.gz NSWMKSFVTNFVPB-AWEZNQCLSA-N 2 0 328.457 -0.281 20 0 EBADRP CC[N@H+](CCN1CCCC1=O)[C@H](C)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001152550756 831172962 /nfs/dbraw/zinc/17/29/62/831172962.db2.gz DSFOMKKEMMNSPS-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP O=C(CCCC[NH+]1CCCC1)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001153315285 831222286 /nfs/dbraw/zinc/22/22/86/831222286.db2.gz ZXNYCJWUQBCVHP-UHFFFAOYSA-N 2 0 339.440 -0.490 20 0 EBADRP CCn1c2ccc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])cc2[nH]c(=O)c1=O ZINC001154258198 831323106 /nfs/dbraw/zinc/32/31/06/831323106.db2.gz HJVOWXBRNWBXSI-UHFFFAOYSA-N 2 0 346.391 -0.216 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001155789893 831430055 /nfs/dbraw/zinc/43/00/55/831430055.db2.gz GWTCCERZGVFQMH-KBPBESRZSA-N 2 0 326.441 -0.840 20 0 EBADRP CCN(CC(=O)NC(N)=O)[C@H](C)CNC(=O)CCc1cncn1C ZINC001156677218 831489253 /nfs/dbraw/zinc/48/92/53/831489253.db2.gz NFRDBSIHKITAKK-LLVKDONJSA-N 2 0 338.412 -0.626 20 0 EBADRP CC[N@H+](CCN1CCNC1=O)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156890533 831512749 /nfs/dbraw/zinc/51/27/49/831512749.db2.gz OEGMIGUGUAINRE-ZIAGYGMSSA-N 2 0 325.457 -0.210 20 0 EBADRP CC[N@H+](CCN1C(=O)CCC1=O)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156890016 831513102 /nfs/dbraw/zinc/51/31/02/831513102.db2.gz HIQOAPWUCUPLSP-KGLIPLIRSA-N 2 0 338.452 -0.086 20 0 EBADRP CC[N@H+](CCN(C)S(C)(=O)=O)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156889988 831513224 /nfs/dbraw/zinc/51/32/24/831513224.db2.gz GNWTYWMTICNCHS-ZIAGYGMSSA-N 2 0 348.513 -0.344 20 0 EBADRP CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001157303009 831551379 /nfs/dbraw/zinc/55/13/79/831551379.db2.gz CSTVXVVOPCVVPE-QWRGUYRKSA-N 2 0 329.426 -0.981 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001157344103 831556134 /nfs/dbraw/zinc/55/61/34/831556134.db2.gz FTCQBPMFOOLFOM-KBPBESRZSA-N 3 0 329.489 -0.158 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H](O)C1)C(=O)N1CCCC1 ZINC001157369450 831560634 /nfs/dbraw/zinc/56/06/34/831560634.db2.gz SYMFVYTXIBWVSR-RDBSUJKOSA-N 2 0 326.441 -0.807 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)C(=O)N1CCCC1 ZINC001157370462 831561220 /nfs/dbraw/zinc/56/12/20/831561220.db2.gz BXUSNBRHKLOLPW-CBBWQLFWSA-N 2 0 338.452 -0.543 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)[C@H]1C[NH2+][C@@H]2CCO[C@@H]21)C(=O)N1CCCC1 ZINC001157371068 831561877 /nfs/dbraw/zinc/56/18/77/831561877.db2.gz NVFJLTHCLXRYLS-LJISPDSOSA-N 2 0 338.452 -0.401 20 0 EBADRP COCC1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001157521001 831575227 /nfs/dbraw/zinc/57/52/27/831575227.db2.gz DIJHQEAOQPCTAC-KBPBESRZSA-N 2 0 326.441 -0.462 20 0 EBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC001157591236 831580768 /nfs/dbraw/zinc/58/07/68/831580768.db2.gz IQWRQIOAVKMIPU-BFHYXJOUSA-N 2 0 328.416 -0.397 20 0 EBADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+] ZINC001157720318 831587922 /nfs/dbraw/zinc/58/79/22/831587922.db2.gz GEHVFROUVILYMT-CABCVRRESA-N 2 0 334.420 -0.881 20 0 EBADRP C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C[C@@H]1[NH3+] ZINC001157798888 831593744 /nfs/dbraw/zinc/59/37/44/831593744.db2.gz GJYLLJUSNHXBHI-UPJWGTAASA-N 2 0 329.466 -0.404 20 0 EBADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001157845194 831597146 /nfs/dbraw/zinc/59/71/46/831597146.db2.gz BAQYWRZEQQISBX-UPJWGTAASA-N 2 0 328.457 -0.169 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001157886513 831603310 /nfs/dbraw/zinc/60/33/10/831603310.db2.gz ILXKMZQDOANOJI-AWEZNQCLSA-N 2 0 325.457 -0.020 20 0 EBADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)N2CCOC3(CC[NH2+]CC3)C2)cc1 ZINC001158077817 831626219 /nfs/dbraw/zinc/62/62/19/831626219.db2.gz XKVFPLPQJREUQH-HNNXBMFYSA-N 2 0 346.431 -0.364 20 0 EBADRP O=C([C@@H]1CC[NH2+][C@H]1c1cccnc1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091400 831627162 /nfs/dbraw/zinc/62/71/62/831627162.db2.gz CKNVRTGBDALTKK-UKPHBRMFSA-N 2 0 329.404 -0.577 20 0 EBADRP C[C@]([NH3+])(Cc1ccc(F)cc1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158101289 831627820 /nfs/dbraw/zinc/62/78/20/831627820.db2.gz JJRAQBNISRRZNN-IRXDYDNUSA-N 2 0 334.395 -0.224 20 0 EBADRP [NH3+][C@@]1(C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)CCc2cc(F)ccc2C1 ZINC001158101200 831627892 /nfs/dbraw/zinc/62/78/92/831627892.db2.gz HGQKTWDOFXPJII-MSOLQXFVSA-N 2 0 346.406 -0.298 20 0 EBADRP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158110763 831628886 /nfs/dbraw/zinc/62/88/86/831628886.db2.gz IRMJXPRCPFNTBX-SFHVURJKSA-N 2 0 328.416 -0.321 20 0 EBADRP O=C([C@H]1COC2(C1)CC[NH2+]CC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158111274 831628978 /nfs/dbraw/zinc/62/89/78/831628978.db2.gz MSHAPMAOWLEGJM-FZKQIMNGSA-N 2 0 348.447 -0.917 20 0 EBADRP [NH3+]C12CCC(C(=O)N3CC4(C[NH2+]C4)[C@@]4(CCNC4=O)C3)(CC1)CC2 ZINC001158120605 831631061 /nfs/dbraw/zinc/63/10/61/831631061.db2.gz OJUTZAKHKQKPDX-VJFUWPCTSA-N 2 0 332.448 -0.024 20 0 EBADRP O=C([C@@H]1Cn2ccnc2C12CC[NH2+]CC2)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167437 831634311 /nfs/dbraw/zinc/63/43/11/831634311.db2.gz JHOZSPUMOLGJFI-QLFBSQMISA-N 2 0 345.447 -0.419 20 0 EBADRP C[C@@H]1CN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C[C@@H](C)[NH2+]1 ZINC001158172162 831636099 /nfs/dbraw/zinc/63/60/99/831636099.db2.gz BBABJPQCWIVJAI-GHMZBOCLSA-N 2 0 339.465 -0.245 20 0 EBADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158192604 831637700 /nfs/dbraw/zinc/63/77/00/831637700.db2.gz APUGDXLDCDMEBK-SGMGOOAPSA-N 2 0 332.408 -0.723 20 0 EBADRP O=C(c1cnn2c1nccc2[C@H]1C[NH2+]CCO1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158236294 831639903 /nfs/dbraw/zinc/63/99/03/831639903.db2.gz ZZLZRARYVDGAQQ-GZBFAFLISA-N 2 0 342.403 -0.033 20 0 EBADRP CN(CC(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1)[C@H]1CCC[NH2+]C1 ZINC001158276629 831642655 /nfs/dbraw/zinc/64/26/55/831642655.db2.gz BJNJYYYOBOFLDS-AWEZNQCLSA-N 2 0 347.467 -0.617 20 0 EBADRP CO[C@H]1CC[NH2+][C@H](C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)C1 ZINC001158277091 831642990 /nfs/dbraw/zinc/64/29/90/831642990.db2.gz HZSZDUQPOTUCEV-STQMWFEESA-N 2 0 334.424 -0.534 20 0 EBADRP CO[C@@H]1CC[NH2+][C@H](C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)C1 ZINC001158277089 831643014 /nfs/dbraw/zinc/64/30/14/831643014.db2.gz HZSZDUQPOTUCEV-OLZOCXBDSA-N 2 0 334.424 -0.534 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001158403906 831651426 /nfs/dbraw/zinc/65/14/26/831651426.db2.gz MREFOMVMVYEDNP-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O)CC[N@@H+]1C ZINC001158428502 831654377 /nfs/dbraw/zinc/65/43/77/831654377.db2.gz GWOYOOKOAXHGCD-CHWSQXEVSA-N 2 0 334.486 -0.686 20 0 EBADRP O=C(NCCC[NH2+]Cc1cnns1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158508868 831661956 /nfs/dbraw/zinc/66/19/56/831661956.db2.gz XHOFPOWLAZFMSW-DGCLKSJQSA-N 2 0 325.438 -0.003 20 0 EBADRP O=C([C@H]1C[NH2+]CC12CCOCC2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158532599 831663030 /nfs/dbraw/zinc/66/30/30/831663030.db2.gz CTQZWAZWDWURPM-ATNYBXOESA-N 2 0 335.448 -0.018 20 0 EBADRP O=C([C@H]1C[NH2+]Cc2ccnn2C1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158534836 831664395 /nfs/dbraw/zinc/66/43/95/831664395.db2.gz UPUJKCJKEGSTOH-TZDHZFECSA-N 2 0 331.420 -0.418 20 0 EBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158579252 831667540 /nfs/dbraw/zinc/66/75/40/831667540.db2.gz QPIOIFMHYKAAMI-RVMXOQNASA-N 2 0 326.416 -0.140 20 0 EBADRP C[C@@]1(C(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)CC[NH2+]C1 ZINC001158734979 831682095 /nfs/dbraw/zinc/68/20/95/831682095.db2.gz IWHUBOKTGJZSET-CQSZACIVSA-N 2 0 342.421 -0.392 20 0 EBADRP [NH3+]CCC[NH2+]CC(=O)N1CCc2nnc(Cn3cccc3)n2CC1 ZINC001159103922 831709193 /nfs/dbraw/zinc/70/91/93/831709193.db2.gz YDYJUYFBXSEHAJ-UHFFFAOYSA-N 2 0 331.424 -0.549 20 0 EBADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)C1 ZINC001159134358 831711431 /nfs/dbraw/zinc/71/14/31/831711431.db2.gz NBXFXCVUIATPNR-GRDNDAEWSA-N 2 0 332.452 -0.645 20 0 EBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001159133998 831711572 /nfs/dbraw/zinc/71/15/72/831711572.db2.gz LVZOAUREPUBDOE-ZFWWWQNUSA-N 2 0 345.451 -0.293 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001159155997 831712668 /nfs/dbraw/zinc/71/26/68/831712668.db2.gz ZOOTYAUZCMGRDL-RYUDHWBXSA-N 2 0 347.435 -0.394 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCCC[NH2+]CCN1C(=O)CCC1=O ZINC001159154696 831712719 /nfs/dbraw/zinc/71/27/19/831712719.db2.gz BFCBXLSCSJAMLX-ZDUSSCGKSA-N 2 0 344.431 -0.089 20 0 EBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@]1(C)CC[NH2+]C1)CC2 ZINC001159191149 831717771 /nfs/dbraw/zinc/71/77/71/831717771.db2.gz CRJGLIJDACZCHO-QGZVFWFLSA-N 2 0 349.435 -0.150 20 0 EBADRP Cc1ccc(N2CCO[C@H]3CN(C(=O)[C@@H]([NH3+])CCC[NH3+])C[C@H]32)nn1 ZINC001159297257 831736585 /nfs/dbraw/zinc/73/65/85/831736585.db2.gz INYTUHHRJHODAB-MJBXVCDLSA-N 2 0 334.424 -0.733 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001159355511 831743568 /nfs/dbraw/zinc/74/35/68/831743568.db2.gz FSDUNMHWCMLEEX-OLZOCXBDSA-N 2 0 341.456 -0.199 20 0 EBADRP CCN1C[C@H]2CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC[C@H]2S1(=O)=O ZINC001159402776 831750249 /nfs/dbraw/zinc/75/02/49/831750249.db2.gz DKZQZXBMFUZMTD-FRRDWIJNSA-N 2 0 332.470 -0.675 20 0 EBADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC3)CC1 ZINC001159417214 831750742 /nfs/dbraw/zinc/75/07/42/831750742.db2.gz MWUGFXFPZAVRCC-HNNXBMFYSA-N 3 0 349.483 -0.961 20 0 EBADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@]2(C)CC[NH2+]C2)CC3)CC1 ZINC001159425419 831751051 /nfs/dbraw/zinc/75/10/51/831751051.db2.gz RMJVJOPVLZBRAE-GOSISDBHSA-N 2 0 346.479 -0.028 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1Cc2ccnn2C[C@H](C(=O)N2CCCC2)C1 ZINC001159494006 831756866 /nfs/dbraw/zinc/75/68/66/831756866.db2.gz SKKWMOKSQRRIEV-UKRRQHHQSA-N 2 0 348.451 -0.470 20 0 EBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@]3(N)CCC[NH2+]C3)CC[C@@H]2C1 ZINC001159637570 831768088 /nfs/dbraw/zinc/76/80/88/831768088.db2.gz ZQFDDQNQUUZLEC-BFYDXBDKSA-N 2 0 340.468 -0.737 20 0 EBADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159668538 831771814 /nfs/dbraw/zinc/77/18/14/831771814.db2.gz XTWNWPQUYPJIKY-NCOADZHNSA-N 2 0 346.431 -0.394 20 0 EBADRP CCN1C(C)=N[C@@]2(CC[C@@H]3CN(C(=O)C[NH2+]CCC[NH3+])C[C@@H]32)C1=O ZINC001159687486 831773415 /nfs/dbraw/zinc/77/34/15/831773415.db2.gz BQIHAYUASTUPGU-JKIFEVAISA-N 2 0 335.452 -0.188 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC2CC1(C(=O)N1CCCC1)C2 ZINC001159698263 831773476 /nfs/dbraw/zinc/77/34/76/831773476.db2.gz RBLIZSSQMJKKRC-AVERBVTBSA-N 2 0 326.466 -0.381 20 0 EBADRP CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)CC[C@@H]21 ZINC001159782433 831782396 /nfs/dbraw/zinc/78/23/96/831782396.db2.gz QQSVZQMRYVNMBL-KFWWJZLASA-N 2 0 334.464 -0.099 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159932831 831799430 /nfs/dbraw/zinc/79/94/30/831799430.db2.gz VZHHLQGPSQUFAN-CQSZACIVSA-N 2 0 348.513 -0.296 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159931499 831799777 /nfs/dbraw/zinc/79/97/77/831799777.db2.gz DZVLNXDSRUZTNR-UKRRQHHQSA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@H](C2CC2)[NH+](C)C)CCO1 ZINC001159931816 831799810 /nfs/dbraw/zinc/79/98/10/831799810.db2.gz JIBWKSBNRWWAMG-CJNGLKHVSA-N 2 0 340.468 -0.330 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001160003622 831804951 /nfs/dbraw/zinc/80/49/51/831804951.db2.gz XKWLISHLNNBFRI-NSHDSACASA-N 2 0 327.429 -0.589 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21 ZINC001160017972 831805716 /nfs/dbraw/zinc/80/57/16/831805716.db2.gz DFXABBABQHITCY-TUVASFSCSA-N 2 0 338.452 -0.177 20 0 EBADRP Cc1ccc(N(C(=O)C[C@H](O)C[NH3+])[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160051808 831810225 /nfs/dbraw/zinc/81/02/25/831810225.db2.gz JZNMEFQCDRDNFW-GRDNDAEWSA-N 2 0 349.435 -0.261 20 0 EBADRP Cc1ccc(N(C(=O)[C@@H](N)CC[NH3+])[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160053873 831810515 /nfs/dbraw/zinc/81/05/15/831810515.db2.gz WLMYWYVWGOXDFZ-GRDNDAEWSA-N 2 0 348.451 -0.295 20 0 EBADRP [NH3+]CCC[NH2+]CC(=O)N1CC[C@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001160085802 831813780 /nfs/dbraw/zinc/81/37/80/831813780.db2.gz NNVRTKDAAWQOQJ-QAPCUYQASA-N 2 0 345.447 -0.125 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001160274461 831830333 /nfs/dbraw/zinc/83/03/33/831830333.db2.gz SVCKECKWVMBCCQ-CYBMUJFWSA-N 2 0 341.456 -0.198 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001160275141 831830413 /nfs/dbraw/zinc/83/04/13/831830413.db2.gz ZVZGYHXECILMTN-CVEARBPZSA-N 2 0 345.484 -0.019 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001160273370 831830729 /nfs/dbraw/zinc/83/07/29/831830729.db2.gz LEXOKYZXQUBLIJ-CYBMUJFWSA-N 2 0 334.486 -0.494 20 0 EBADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC001160390475 831842743 /nfs/dbraw/zinc/84/27/43/831842743.db2.gz BMBCPDKYLMLQPF-UONOGXRCSA-N 2 0 338.452 -0.888 20 0 EBADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC1CCOCC1)[NH+](C)C ZINC001160421453 831847210 /nfs/dbraw/zinc/84/72/10/831847210.db2.gz RKNDMRXZUJDPPL-INIZCTEOSA-N 2 0 342.484 -0.036 20 0 EBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001160490854 831856051 /nfs/dbraw/zinc/85/60/51/831856051.db2.gz JTKDQKDEXMSOLQ-BBRMVZONSA-N 2 0 340.468 -0.201 20 0 EBADRP COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001160493239 831856736 /nfs/dbraw/zinc/85/67/36/831856736.db2.gz LXANSHMPQHGIEP-UMNHJUIQSA-N 2 0 347.437 -0.551 20 0 EBADRP CCOC(=O)[C@H]1CCCCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160585154 831867688 /nfs/dbraw/zinc/86/76/88/831867688.db2.gz ZCOFFLGJVFINPM-UONOGXRCSA-N 2 0 326.441 -0.319 20 0 EBADRP Cc1ccnc(N2CCN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)CC2)c1 ZINC001160604332 831870166 /nfs/dbraw/zinc/87/01/66/831870166.db2.gz ALZWYDLDJFBWMC-INIZCTEOSA-N 2 0 346.479 -0.211 20 0 EBADRP COC(=O)[C@@]1(C)CCCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001160635233 831871997 /nfs/dbraw/zinc/87/19/97/831871997.db2.gz HZGSFDOLWICSSR-BBRMVZONSA-N 2 0 326.441 -0.462 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)c2ccc3c(c2)[C@H]2C[NH2+]C[C@H]2NC3=O)CCO1 ZINC001160644277 831875456 /nfs/dbraw/zinc/87/54/56/831875456.db2.gz BHJZNLUNAGORGA-NILFDRSVSA-N 2 0 330.388 -0.715 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001160772713 831885952 /nfs/dbraw/zinc/88/59/52/831885952.db2.gz WGWFCIFMGVZUGG-JSGCOSHPSA-N 2 0 332.395 -0.237 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(C[C@H](F)CO2)CC1 ZINC001160788250 831887030 /nfs/dbraw/zinc/88/70/30/831887030.db2.gz PUJVPCKHUYMQML-GXTWGEPZSA-N 2 0 328.432 -0.144 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3C[NH2+]C[C@H](F)C3)C[C@H]1C2 ZINC001160791873 831887912 /nfs/dbraw/zinc/88/79/12/831887912.db2.gz GSGRDKVDHILIHM-OHGMRDKBSA-N 2 0 339.411 -0.209 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3CC[NH2+]C[C@@H]3F)C[C@H]1C2 ZINC001160797401 831888658 /nfs/dbraw/zinc/88/86/58/831888658.db2.gz NVVNQYGPBZAUFM-LZQHRPSPSA-N 2 0 339.411 -0.209 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)[C@@]3(C)CC[NH2+]C[C@@H]3O)C[C@H]1C[NH2+]CC2 ZINC001160811606 831889297 /nfs/dbraw/zinc/88/92/97/831889297.db2.gz QSPNRKKDZJLDNH-OSRSDYAFSA-N 2 0 339.436 -0.652 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]3C[NH2+]CCCO3)C[C@H]1C[NH2+]CC2 ZINC001160812059 831889946 /nfs/dbraw/zinc/88/99/46/831889946.db2.gz YSVGXIKDYOYKCB-DVOMOZLQSA-N 2 0 325.409 -0.634 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]([NH3+])C3CCOCC3)C[C@H]1C[NH2+]CC2 ZINC001160813270 831890017 /nfs/dbraw/zinc/89/00/17/831890017.db2.gz YHKPMYNMTBRSRX-JKIFEVAISA-N 2 0 339.436 -0.259 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)c3[nH]nc4c3C[NH2+]CC4)C[C@H]1C[NH2+]CC2 ZINC001160819372 831890058 /nfs/dbraw/zinc/89/00/58/831890058.db2.gz NXLYCCKRHNKRIU-PIGZYNQJSA-N 2 0 347.419 -0.330 20 0 EBADRP CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160823489 831891320 /nfs/dbraw/zinc/89/13/20/831891320.db2.gz HGJRTNXIZKQEON-DGCLKSJQSA-N 2 0 333.392 -0.792 20 0 EBADRP COC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)CCN1C ZINC001160870671 831902003 /nfs/dbraw/zinc/90/20/03/831902003.db2.gz ITLIUAFINSTVNZ-UONOGXRCSA-N 2 0 328.457 -0.202 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001160870008 831902296 /nfs/dbraw/zinc/90/22/96/831902296.db2.gz UUMYTBCJSPPLPB-UONOGXRCSA-N 2 0 346.497 -0.352 20 0 EBADRP CCNC(=O)C[NH2+]CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001160951659 831909095 /nfs/dbraw/zinc/90/90/95/831909095.db2.gz NAEVFSYCPHKJIX-UHFFFAOYSA-N 2 0 328.457 -0.423 20 0 EBADRP C[N@@H+]1C[C@@H](C(=O)N2C[C@@H]([NH3+])CC(F)(F)C2)OC2(CC[NH2+]CC2)C1 ZINC001160966887 831911036 /nfs/dbraw/zinc/91/10/36/831911036.db2.gz FDCQUOPDYGLTOR-RYUDHWBXSA-N 3 0 332.395 -0.366 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160971847 831911822 /nfs/dbraw/zinc/91/18/22/831911822.db2.gz NUWLBLYUBHDERL-UWVGGRQHSA-N 2 0 336.383 -0.560 20 0 EBADRP CC(=O)[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001161039249 831916362 /nfs/dbraw/zinc/91/63/62/831916362.db2.gz OPHYDYZJVSXKNY-KKUMJFAQSA-N 2 0 338.452 -0.129 20 0 EBADRP CN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)[C@H]1CCC2(C1)OCCO2 ZINC001161220500 831938450 /nfs/dbraw/zinc/93/84/50/831938450.db2.gz ZMOAQCVOASAIPG-KBPBESRZSA-N 2 0 326.441 -0.509 20 0 EBADRP CN(C(=O)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161221594 831938752 /nfs/dbraw/zinc/93/87/52/831938752.db2.gz OEPJDXYGESPUGL-BVIHXZOGSA-N 2 0 342.403 -0.320 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001161226611 831938867 /nfs/dbraw/zinc/93/88/67/831938867.db2.gz LELYHOUDXBPFKA-AWEZNQCLSA-N 2 0 342.484 -0.035 20 0 EBADRP [NH3+]C[C@@]1(F)CCN(C(=O)c2cnn3c2nccc3[C@H]2C[NH2+]CCO2)C1 ZINC001161246965 831940913 /nfs/dbraw/zinc/94/09/13/831940913.db2.gz TXJYXTNEJGDFTH-CJNGLKHVSA-N 2 0 348.382 -0.097 20 0 EBADRP [NH3+]CCC[NH2+]CC(=O)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161270520 831943786 /nfs/dbraw/zinc/94/37/86/831943786.db2.gz UGQMERLTQVYIQP-UHFFFAOYSA-N 2 0 332.470 -0.659 20 0 EBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161269602 831944035 /nfs/dbraw/zinc/94/40/35/831944035.db2.gz BGZBBFKDYMRXQG-JKSUJKDBSA-N 3 0 329.448 -0.029 20 0 EBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC(Oc2ncc(F)cn2)CC1 ZINC001161313544 831947262 /nfs/dbraw/zinc/94/72/62/831947262.db2.gz PCMQGPRLTZMCKZ-ZDUSSCGKSA-N 2 0 335.383 -0.206 20 0 EBADRP COC(=O)[C@@]1(C)COCCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001161374172 831951540 /nfs/dbraw/zinc/95/15/40/831951540.db2.gz UGAOHDCCFRBFPT-SWLSCSKDSA-N 2 0 325.409 -0.349 20 0 EBADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@H]3CNC(=O)C34CC[NH2+]CC4)C2)CC1 ZINC001161381706 831951716 /nfs/dbraw/zinc/95/17/16/831951716.db2.gz YUUGSHHROVFGHP-HUUCEWRRSA-N 2 0 349.479 -0.874 20 0 EBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161387619 831952683 /nfs/dbraw/zinc/95/26/83/831952683.db2.gz DHRAGUXBKLSAQF-HOTGVXAUSA-N 2 0 340.468 -0.057 20 0 EBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3Cn4nnnc4C34CC[NH2+]CC4)C[C@H]12 ZINC001161414366 831956240 /nfs/dbraw/zinc/95/62/40/831956240.db2.gz VTQQLBPKIRATPX-MROQNXINSA-N 2 0 331.424 -0.880 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])Cc1cncn1C)CC2 ZINC001161476280 831962439 /nfs/dbraw/zinc/96/24/39/831962439.db2.gz CJITWBNNRQQUGP-XEZPLFJOSA-N 2 0 335.408 -0.957 20 0 EBADRP CN1C(=O)CC[C@@H]2CN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)CC[C@@H]21 ZINC001161481223 831964480 /nfs/dbraw/zinc/96/44/80/831964480.db2.gz CXEGAMBPJGSWIU-SNPRPXQTSA-N 2 0 337.468 -0.794 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@]1(C)CC[NH2+]C[C@H]1O)CC2 ZINC001161481831 831964556 /nfs/dbraw/zinc/96/45/56/831964556.db2.gz ZBPMZLVQWCVXIK-BHTHQVBYSA-N 2 0 325.409 -0.900 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])C1CCC(O)CC1)CC2 ZINC001161481956 831964594 /nfs/dbraw/zinc/96/45/94/831964594.db2.gz UPXGAVNBKDYVCR-DHNHGVONSA-N 2 0 339.436 -0.382 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)c1ncn3c1C[NH2+]CC3)CC2 ZINC001161484140 831964917 /nfs/dbraw/zinc/96/49/17/831964917.db2.gz UGNUAIAWNPPYBL-LRDDRELGSA-N 2 0 333.392 -0.647 20 0 EBADRP [NH3+][C@H]1CN(C(=O)[C@H](c2ccco2)N2CCC([NH3+])CC2)CC12COC2 ZINC001161498967 831967045 /nfs/dbraw/zinc/96/70/45/831967045.db2.gz DJEXLIQFXMNCQC-GJZGRUSLSA-N 2 0 334.420 -0.070 20 0 EBADRP [NH3+][C@H](C(=O)N1C[C@@H]([NH3+])C2(COC2)C1)C1CCC2(CC1)OCCO2 ZINC001161509210 831967360 /nfs/dbraw/zinc/96/73/60/831967360.db2.gz ITVAGIGYYUSFPU-OLZOCXBDSA-N 2 0 325.409 -0.567 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CN(c2ccccc2)C3)CC12COC2 ZINC001161511128 831967779 /nfs/dbraw/zinc/96/77/79/831967779.db2.gz WUQTXYROCQWVDH-IDHHARJASA-N 2 0 342.443 -0.102 20 0 EBADRP Cc1c(C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)ccc2c[nH+]cn21 ZINC001161558747 831972267 /nfs/dbraw/zinc/97/22/67/831972267.db2.gz MVMQYIWUNJRYBE-SNVBAGLBSA-N 2 0 346.391 -0.064 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001161643889 831980184 /nfs/dbraw/zinc/98/01/84/831980184.db2.gz CVNZBYJGVUOWLM-AWEZNQCLSA-N 2 0 348.513 -0.248 20 0 EBADRP COCC1(CNC(=O)CC[NH+](C)C)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001162457904 832047957 /nfs/dbraw/zinc/04/79/57/832047957.db2.gz AUSPAMYTVWHOMI-ZDUSSCGKSA-N 2 0 328.457 -0.343 20 0 EBADRP CNC(=O)C[NH+]1CCC(CNC(=O)C[N@H+](C)C(C)C)(COC)CC1 ZINC001162617425 832056377 /nfs/dbraw/zinc/05/63/77/832056377.db2.gz GUQSFACGDRNVCP-UHFFFAOYSA-N 2 0 342.484 -0.083 20 0 EBADRP CCn1nncc1C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872241 832068090 /nfs/dbraw/zinc/06/80/90/832068090.db2.gz LHRQNCRLEGJYAD-GNHJJJEISA-N 2 0 348.451 -0.243 20 0 EBADRP Cn1cc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)cn1 ZINC001162872659 832069699 /nfs/dbraw/zinc/06/96/99/832069699.db2.gz ZQJLRVCQCYZSNW-GNHJJJEISA-N 2 0 333.436 -0.121 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001163224749 832092117 /nfs/dbraw/zinc/09/21/17/832092117.db2.gz YJOLATGSUHJRMA-CQSZACIVSA-N 2 0 339.440 -0.588 20 0 EBADRP C[N@H+](CCC(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1CCCCC1 ZINC001163274823 832095178 /nfs/dbraw/zinc/09/51/78/832095178.db2.gz HHOSGULBSPCRMC-UHFFFAOYSA-N 2 0 341.456 -0.068 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001163831826 832143393 /nfs/dbraw/zinc/14/33/93/832143393.db2.gz AFPXHMRGYBXAOX-UHFFFAOYSA-N 2 0 327.429 -0.588 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001164536020 832195109 /nfs/dbraw/zinc/19/51/09/832195109.db2.gz KOPZUPWYQWOJEQ-ZIAGYGMSSA-N 2 0 326.441 -0.578 20 0 EBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001164538458 832195761 /nfs/dbraw/zinc/19/57/61/832195761.db2.gz HSLIMMYJTJFTLQ-CQSZACIVSA-N 2 0 328.457 -0.284 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001164538884 832196080 /nfs/dbraw/zinc/19/60/80/832196080.db2.gz OJVUXBMPGMNLKA-OAHLLOKOSA-N 2 0 340.468 -0.282 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001164539361 832196134 /nfs/dbraw/zinc/19/61/34/832196134.db2.gz ZHYGZJIBCUBCLM-HUUCEWRRSA-N 2 0 340.468 -0.188 20 0 EBADRP O=C1CN(c2nc(Cl)nc3c2C[NH2+]CC3)CC2(CC[NH2+]CC2)N1 ZINC001165252535 832208335 /nfs/dbraw/zinc/20/83/35/832208335.db2.gz IOACQOPFUAAZBU-UHFFFAOYSA-N 2 0 336.827 -0.166 20 0 EBADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCCO2)CC1 ZINC001165255049 832208836 /nfs/dbraw/zinc/20/88/36/832208836.db2.gz VMPPFFNRRVERCX-AWEZNQCLSA-N 2 0 340.468 -0.281 20 0 EBADRP COC[C@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165359743 832217572 /nfs/dbraw/zinc/21/75/72/832217572.db2.gz ILKVMXHSQHOLQU-LSDHHAIUSA-N 2 0 333.473 -0.164 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)C2CC[NH+](C)CC2)CCO1 ZINC001165777833 832237496 /nfs/dbraw/zinc/23/74/96/832237496.db2.gz ZLMWEGOBQKKYQN-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCC(=O)NCCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001165781356 832237640 /nfs/dbraw/zinc/23/76/40/832237640.db2.gz QQLDZDLYAXOSQD-CQSZACIVSA-N 2 0 331.457 -0.410 20 0 EBADRP C[NH+](C)CCC(=O)NCCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001165781785 832237653 /nfs/dbraw/zinc/23/76/53/832237653.db2.gz ZJMTXPYBHXZJSF-UHFFFAOYSA-N 2 0 329.445 -0.342 20 0 EBADRP C[NH+](C)CCC(=O)NCCC[NH2+]CC(=O)NCC(=O)NC(C)(C)C ZINC001165794087 832238191 /nfs/dbraw/zinc/23/81/91/832238191.db2.gz LEYQTSVYNVOQRX-UHFFFAOYSA-N 2 0 343.472 -0.935 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166010087 832246215 /nfs/dbraw/zinc/24/62/15/832246215.db2.gz GRGFTFLDLJDTIR-OAHLLOKOSA-N 2 0 330.473 -0.179 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166009902 832246249 /nfs/dbraw/zinc/24/62/49/832246249.db2.gz BVWQNZAVTMXZLV-HUUCEWRRSA-N 2 0 333.473 -0.308 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166004732 832246297 /nfs/dbraw/zinc/24/62/97/832246297.db2.gz VGKCCMQLMXMBMK-CHWSQXEVSA-N 2 0 343.472 -0.097 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001166668111 832277414 /nfs/dbraw/zinc/27/74/14/832277414.db2.gz RIKATCNPLCGNKM-CQSZACIVSA-N 2 0 326.441 -0.717 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001166668306 832277499 /nfs/dbraw/zinc/27/74/99/832277499.db2.gz YLUFKEUOVUNLEH-LBPRGKRZSA-N 2 0 339.440 -0.588 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166676671 832278577 /nfs/dbraw/zinc/27/85/77/832278577.db2.gz AYGDKPNFJBTBES-CABCVRRESA-N 2 0 331.457 -0.552 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001166678413 832280299 /nfs/dbraw/zinc/28/02/99/832280299.db2.gz VAZUVEUFMHDPNE-AWEZNQCLSA-N 2 0 328.457 -0.423 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)NCc1cccnc1 ZINC001166706989 832281312 /nfs/dbraw/zinc/28/13/12/832281312.db2.gz BYOWCZXWDIWUDC-GOEBONIOSA-N 2 0 347.463 -0.009 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O ZINC001166714398 832282879 /nfs/dbraw/zinc/28/28/79/832282879.db2.gz KBLBRXGTNVABLX-STQMWFEESA-N 2 0 334.486 -0.829 20 0 EBADRP COCCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001166708377 832283044 /nfs/dbraw/zinc/28/30/44/832283044.db2.gz PKSHNGWRPAZVPA-KBPBESRZSA-N 2 0 328.457 -0.567 20 0 EBADRP CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1)[NH+](C)C ZINC001166852888 832294014 /nfs/dbraw/zinc/29/40/14/832294014.db2.gz XSXIWGUTXASMPQ-KGLIPLIRSA-N 2 0 328.457 -0.425 20 0 EBADRP C[NH+](C)CC1(C(=O)NCCC2(C[NH2+]CC(=O)NC(N)=O)CC2)CC1 ZINC001166869509 832295032 /nfs/dbraw/zinc/29/50/32/832295032.db2.gz AWHBZMLLMVGACS-UHFFFAOYSA-N 2 0 339.440 -0.601 20 0 EBADRP C[C@H](COCC(=O)NCCC[NH2+][C@H]1CCNC1=O)[NH+]1CCCC1 ZINC001166931166 832300363 /nfs/dbraw/zinc/30/03/63/832300363.db2.gz QWBFAPDCSWQGPH-KGLIPLIRSA-N 2 0 326.441 -0.528 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001166931052 832300460 /nfs/dbraw/zinc/30/04/60/832300460.db2.gz QJHJFJJOWALNEX-ZIAGYGMSSA-N 2 0 328.457 -0.282 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166985835 832305496 /nfs/dbraw/zinc/30/54/96/832305496.db2.gz FXAWMKBHHOFMDR-LBPRGKRZSA-N 2 0 341.456 -0.342 20 0 EBADRP C[C@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)[NH+]1CCCCCC1 ZINC001167610043 832360991 /nfs/dbraw/zinc/36/09/91/832360991.db2.gz PXWUHNZBFGMHAT-GFCCVEGCSA-N 2 0 327.429 -0.458 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168029517 832388527 /nfs/dbraw/zinc/38/85/27/832388527.db2.gz HANGKRKYOLPTCN-OLZOCXBDSA-N 2 0 339.440 -0.445 20 0 EBADRP COCCOCC[NH2+]CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001168052717 832392035 /nfs/dbraw/zinc/39/20/35/832392035.db2.gz UVSSUKCCPSVNBU-UHFFFAOYSA-N 2 0 341.456 -0.183 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001353055507 832396514 /nfs/dbraw/zinc/39/65/14/832396514.db2.gz MEIRRRDZNUTUCW-STQMWFEESA-N 2 0 326.441 -0.448 20 0 EBADRP C[C@@H]([NH2+]CC1(CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1)C(N)=O ZINC001168153532 832400360 /nfs/dbraw/zinc/40/03/60/832400360.db2.gz LKWVDWYEXGCPJZ-UONOGXRCSA-N 2 0 340.468 -0.295 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CC1(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001168162742 832400409 /nfs/dbraw/zinc/40/04/09/832400409.db2.gz TUYVJTJBHHGJDA-UHFFFAOYSA-N 2 0 346.497 -0.493 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC001353170411 832412210 /nfs/dbraw/zinc/41/22/10/832412210.db2.gz IAYADCNWLDDKLE-ZIAGYGMSSA-N 2 0 328.457 -0.615 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001353182229 832413461 /nfs/dbraw/zinc/41/34/61/832413461.db2.gz CIUUMDBWSFERJG-KBPBESRZSA-N 2 0 337.468 -0.922 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001353448215 832428487 /nfs/dbraw/zinc/42/84/87/832428487.db2.gz NUDCWTKKQLWBCX-LSDHHAIUSA-N 2 0 340.468 -0.343 20 0 EBADRP [NH3+][C@@H](CO)Cc1cncn1-c1ccc2nc([C@@H]3CC[NH2+]C3)nn2c1 ZINC001169076345 832447523 /nfs/dbraw/zinc/44/75/23/832447523.db2.gz PJTDDFOKGMPKNM-VXGBXAGGSA-N 2 0 327.392 -0.146 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001169127887 832449657 /nfs/dbraw/zinc/44/96/57/832449657.db2.gz WQPMKEYGHAUPHC-MRXNPFEDSA-N 2 0 345.484 -0.162 20 0 EBADRP COCCOCC[NH2+]CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001169531890 832466641 /nfs/dbraw/zinc/46/66/41/832466641.db2.gz WTBDGNDYNNMZIB-UHFFFAOYSA-N 2 0 331.457 -0.144 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccc(N2CC[NH2+][C@@H](C)C2)nn1 ZINC001170870429 832529628 /nfs/dbraw/zinc/52/96/28/832529628.db2.gz RIUJCYWEUPQFFF-YNEHKIRRSA-N 2 0 334.424 -0.162 20 0 EBADRP COC(=O)Cc1cc(N[C@@H]([NH3+])CCC[NH3+])ccc1S(N)(=O)=O ZINC001170903702 832530716 /nfs/dbraw/zinc/53/07/16/832530716.db2.gz KITZYRVGCITMHX-GFCCVEGCSA-N 2 0 330.410 -0.515 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CCNC(=O)NC(C)(C)C ZINC001171204479 832550347 /nfs/dbraw/zinc/55/03/47/832550347.db2.gz ARWABASAGLEZTD-UHFFFAOYSA-N 2 0 345.488 -0.242 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CC(=O)Nc1nccs1 ZINC001171205692 832550749 /nfs/dbraw/zinc/55/07/49/832550749.db2.gz WEZAUYMLYXCRSK-UHFFFAOYSA-N 2 0 343.453 -0.244 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001171215398 832551629 /nfs/dbraw/zinc/55/16/29/832551629.db2.gz BWOZCRJBEMXPSX-LBPRGKRZSA-N 2 0 339.440 -0.588 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171226677 832552436 /nfs/dbraw/zinc/55/24/36/832552436.db2.gz JEVPFWZAWTXUFQ-CABCVRRESA-N 2 0 331.457 -0.552 20 0 EBADRP CC(C)N(C)C(=O)[C@@H](C)[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171217992 832552497 /nfs/dbraw/zinc/55/24/97/832552497.db2.gz QDJMZRGSYWZPKJ-CQSZACIVSA-N 2 0 330.473 -0.084 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCCNC(=O)C23CC[NH+](CC2)C3)n(C)n1 ZINC001171303616 832555811 /nfs/dbraw/zinc/55/58/11/832555811.db2.gz TXPNMHDNQIAYBY-UHFFFAOYSA-N 2 0 348.451 -0.141 20 0 EBADRP O=C(NCCC[NH2+]C[C@H]1CCS(=O)(=O)C1)C12CC[NH+](CC1)C2 ZINC001171293691 832555820 /nfs/dbraw/zinc/55/58/20/832555820.db2.gz KTXJSDDVALRWSH-CYBMUJFWSA-N 2 0 329.466 -0.387 20 0 EBADRP O=C(NCCC[NH2+]Cc1nnc2n1CCOC2)C12CC[NH+](CC1)C2 ZINC001171303235 832555849 /nfs/dbraw/zinc/55/58/49/832555849.db2.gz BURCQUXXBCVFES-UHFFFAOYSA-N 2 0 334.424 -0.500 20 0 EBADRP C[C@H](C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2)CS(C)(=O)=O ZINC001171303432 832555965 /nfs/dbraw/zinc/55/59/65/832555965.db2.gz KJMHMTLXXOSBHF-CYBMUJFWSA-N 2 0 331.482 -0.141 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]C[C@H](O)COCCOC ZINC001171725536 832574299 /nfs/dbraw/zinc/57/42/99/832574299.db2.gz OLOOADCVSHUVJU-HNNXBMFYSA-N 2 0 333.473 -0.162 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001171762575 832575074 /nfs/dbraw/zinc/57/50/74/832575074.db2.gz GSINIZSKKUHWTQ-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP COCCC[NH+]1CCC(NC(=[NH2+])NCCC[C@H](N)C(=O)OC)CC1 ZINC001172244644 832580895 /nfs/dbraw/zinc/58/08/95/832580895.db2.gz GMRRCCMRBALWEC-AWEZNQCLSA-N 2 0 343.472 -0.118 20 0 EBADRP CCN1CC[C@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C1 ZINC001173356195 832584220 /nfs/dbraw/zinc/58/42/20/832584220.db2.gz CBCPQFQJDBCFJY-INIZCTEOSA-N 2 0 333.473 -0.305 20 0 EBADRP C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C)C(=O)NC(N)=O ZINC001175056665 832613630 /nfs/dbraw/zinc/61/36/30/832613630.db2.gz MZZVWSBYLHJDPL-NWDGAFQWSA-N 2 0 329.445 -0.214 20 0 EBADRP C[NH+]1CCN(c2ccccc2CNC(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC001356448950 832630608 /nfs/dbraw/zinc/63/06/08/832630608.db2.gz NUQIYFONMQAMCK-UHFFFAOYSA-N 2 0 345.447 -0.338 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001356492347 832633506 /nfs/dbraw/zinc/63/35/06/832633506.db2.gz XBPWHXXIMIYIDT-RRFJBIMHSA-N 2 0 340.468 -0.188 20 0 EBADRP Cn1cc(N2CC[C@H]([NH2+]CCCNC(=O)[C@@H]3CC[N@H+](C)C3)C2=O)cn1 ZINC001176057685 832654284 /nfs/dbraw/zinc/65/42/84/832654284.db2.gz QZMHBZLVPZJACY-HIFRSBDPSA-N 2 0 348.451 -0.427 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001176057747 832654322 /nfs/dbraw/zinc/65/43/22/832654322.db2.gz SAQMDGVOCUNTJO-CABCVRRESA-N 2 0 343.468 -0.410 20 0 EBADRP CCOCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176095884 832657533 /nfs/dbraw/zinc/65/75/33/832657533.db2.gz KGVDJCDPCYFSOD-GJZGRUSLSA-N 2 0 342.484 -0.035 20 0 EBADRP COC[C@@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176110042 832658044 /nfs/dbraw/zinc/65/80/44/832658044.db2.gz IJJAKGAVSBKBBE-HUUCEWRRSA-N 2 0 331.457 -0.410 20 0 EBADRP CC1(C)NC(=O)N(CC[NH2+]CCCNC(=O)C[NH+]2CCCC2)C1=O ZINC001176119105 832658083 /nfs/dbraw/zinc/65/80/83/832658083.db2.gz XNVWTBHHEOVOEC-UHFFFAOYSA-N 2 0 339.440 -0.492 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001176161764 832660051 /nfs/dbraw/zinc/66/00/51/832660051.db2.gz RNSNIBSYBNFHCZ-KGLIPLIRSA-N 2 0 328.457 -0.473 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O ZINC001176162094 832660467 /nfs/dbraw/zinc/66/04/67/832660467.db2.gz TXFATAPZTUHGFI-UONOGXRCSA-N 2 0 326.441 -0.719 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001176161877 832660495 /nfs/dbraw/zinc/66/04/95/832660495.db2.gz RZKGFUJXCCLGKU-KGLIPLIRSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@@H](CCCC[NH2+]CCNS(C)(=O)=O)NC(=O)C[NH+]1CCCC1 ZINC001176591772 832680190 /nfs/dbraw/zinc/68/01/90/832680190.db2.gz ORBWSPWKIOOAKO-AWEZNQCLSA-N 2 0 348.513 -0.104 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CC[NH+]1CCCCC1 ZINC001176930590 832712946 /nfs/dbraw/zinc/71/29/46/832712946.db2.gz MUDPLOBTFSTMPH-UHFFFAOYSA-N 2 0 341.456 -0.196 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001176986665 832726028 /nfs/dbraw/zinc/72/60/28/832726028.db2.gz SCRRZGNXOIRTNK-CYBMUJFWSA-N 2 0 343.472 -0.985 20 0 EBADRP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001178716745 832904704 /nfs/dbraw/zinc/90/47/04/832904704.db2.gz VYAYBPAOCIVYDW-UKMLZYKCSA-N 2 0 325.453 -0.086 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCNS(=O)(=O)CC)[C@@H]1C)[NH+](C)C ZINC001178985301 832938015 /nfs/dbraw/zinc/93/80/15/832938015.db2.gz CQJYXVRBNVWXNP-MELADBBJSA-N 2 0 348.513 -0.155 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C)C(=O)NC(N)=O ZINC001179303506 832968605 /nfs/dbraw/zinc/96/86/05/832968605.db2.gz FSJQFBDMTBCJOT-NOOOWODRSA-N 2 0 325.413 -0.757 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCS(C)(=O)=O)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001179475888 832982407 /nfs/dbraw/zinc/98/24/07/832982407.db2.gz BTTBLAOVRPYSJD-JSGCOSHPSA-N 2 0 331.482 -0.048 20 0 EBADRP C[C@H]1[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)CCN1C(=O)CC[NH+](C)C ZINC001179481843 832982587 /nfs/dbraw/zinc/98/25/87/832982587.db2.gz LIXSXVYZXCGYBE-KKUMJFAQSA-N 2 0 340.468 -0.500 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001179534768 832985460 /nfs/dbraw/zinc/98/54/60/832985460.db2.gz VWLHSAZVRMOEFN-WOPDTQHZSA-N 2 0 325.413 -0.755 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212417143 837678677 /nfs/dbraw/zinc/67/86/77/837678677.db2.gz YLACESCRLBYIBQ-RRFJBIMHSA-N 2 0 329.441 -0.707 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001187083819 833897338 /nfs/dbraw/zinc/89/73/38/833897338.db2.gz SLUGSCNWNBIMOA-QWHCGFSZSA-N 2 0 332.470 -0.932 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001187106904 833901504 /nfs/dbraw/zinc/90/15/04/833901504.db2.gz QCRYHPJWFMKXHE-HUUCEWRRSA-N 2 0 339.440 -0.987 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001187106860 833901968 /nfs/dbraw/zinc/90/19/68/833901968.db2.gz OPWUITVHUBQRKF-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H](C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)CS(C)(=O)=O ZINC001187106804 833901991 /nfs/dbraw/zinc/90/19/91/833901991.db2.gz MGPUPLUOKFCSQO-ZIAGYGMSSA-N 2 0 349.497 -0.564 20 0 EBADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187121784 833902425 /nfs/dbraw/zinc/90/24/25/833902425.db2.gz LKQFPSOEBJVZKF-CABCVRRESA-N 2 0 341.452 -0.703 20 0 EBADRP CC(C)CNC(=O)C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187121356 833902513 /nfs/dbraw/zinc/90/25/13/833902513.db2.gz INSGCWPWIHQRJI-CQSZACIVSA-N 2 0 328.457 -0.473 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001187290910 833916467 /nfs/dbraw/zinc/91/64/67/833916467.db2.gz CCZBBQOTYJDYPW-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001188979465 834113307 /nfs/dbraw/zinc/11/33/07/834113307.db2.gz NWAQVYGXXMPHRW-LSDHHAIUSA-N 2 0 337.468 -0.114 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001189811209 834194239 /nfs/dbraw/zinc/19/42/39/834194239.db2.gz WHUXLCOXJJOGKD-JKSUJKDBSA-N 2 0 335.452 -0.006 20 0 EBADRP CCS(=O)(=O)NCCC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192162823 834619847 /nfs/dbraw/zinc/61/98/47/834619847.db2.gz RSTPYHSASVYNHO-CQSZACIVSA-N 2 0 348.513 -0.200 20 0 EBADRP COC[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001193078395 834791490 /nfs/dbraw/zinc/79/14/90/834791490.db2.gz SFLKOICPONYWCR-LSDHHAIUSA-N 2 0 343.468 -0.363 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([N@H+](C)CCNC(=O)C2CC2)C1 ZINC001193488057 834886444 /nfs/dbraw/zinc/88/64/44/834886444.db2.gz LLERDOXCXBBTBY-OAHLLOKOSA-N 2 0 340.468 -0.377 20 0 EBADRP CN1CCC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)COCC[NH+](C)C)C2)C1=O ZINC001193487783 834887792 /nfs/dbraw/zinc/88/77/92/834887792.db2.gz FNUGDHUEIZVIOH-LSDHHAIUSA-N 2 0 340.468 -0.282 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)C[C@H](O)COCCOC)C1 ZINC001193642394 834922465 /nfs/dbraw/zinc/92/24/65/834922465.db2.gz NHTSEVLZPLOFGG-HOTGVXAUSA-N 2 0 345.484 -0.115 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O)C1CC1 ZINC001193792055 834947366 /nfs/dbraw/zinc/94/73/66/834947366.db2.gz VNCJMBUUYKARKD-BZUAXINKSA-N 2 0 325.453 -0.086 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]([N@H+](C)CCOCCO)C1 ZINC001194026664 835000977 /nfs/dbraw/zinc/00/09/77/835000977.db2.gz ICWHGYCGDAQUDU-CVEARBPZSA-N 2 0 343.468 -0.504 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194039834 835007072 /nfs/dbraw/zinc/00/70/72/835007072.db2.gz MZTZITACMUEWCC-VXGBXAGGSA-N 2 0 325.413 -0.802 20 0 EBADRP CNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194289775 835072846 /nfs/dbraw/zinc/07/28/46/835072846.db2.gz OTKVABHFUOCNSD-BPLDGKMQSA-N 2 0 349.435 -0.796 20 0 EBADRP COCCOC[C@H](O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001195267241 835206854 /nfs/dbraw/zinc/20/68/54/835206854.db2.gz HASUKTTYKHXECS-CVEARBPZSA-N 2 0 343.468 -0.361 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2O)CC1 ZINC001195677540 835271913 /nfs/dbraw/zinc/27/19/13/835271913.db2.gz SDFFVERZHRUQBY-HUUCEWRRSA-N 2 0 325.453 -0.084 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001195701737 835273746 /nfs/dbraw/zinc/27/37/46/835273746.db2.gz QPBWMDVOHUYTFX-RRFJBIMHSA-N 2 0 340.468 -0.594 20 0 EBADRP CCCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708351 835275325 /nfs/dbraw/zinc/27/53/25/835275325.db2.gz LQAFZZUBCFYWJR-MGPQQGTHSA-N 2 0 328.457 -0.596 20 0 EBADRP C[C@H](C(=O)NC1CC1)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708573 835276293 /nfs/dbraw/zinc/27/62/93/835276293.db2.gz PFFVXTAYYJUUAA-MRVWCRGKSA-N 2 0 326.441 -0.843 20 0 EBADRP CN(C)S(=O)(=O)CCC[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197048284 835497982 /nfs/dbraw/zinc/49/79/82/835497982.db2.gz CSZMXJMLLKMIJX-UHFFFAOYSA-N 2 0 348.513 -0.246 20 0 EBADRP CCCCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197048430 835498648 /nfs/dbraw/zinc/49/86/48/835498648.db2.gz BBSXTVHVWCEZJW-RRFJBIMHSA-N 2 0 342.484 -0.206 20 0 EBADRP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198699473 835711438 /nfs/dbraw/zinc/71/14/38/835711438.db2.gz SMNYLDUTHRGJDN-RRFJBIMHSA-N 2 0 329.441 -0.848 20 0 EBADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001199018334 835750435 /nfs/dbraw/zinc/75/04/35/835750435.db2.gz VKVXDFZQBJKJEU-HZPDHXFCSA-N 2 0 335.452 -0.080 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001200122061 835912919 /nfs/dbraw/zinc/91/29/19/835912919.db2.gz AVTASPMFCOPTFU-LSDHHAIUSA-N 2 0 338.452 -0.434 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001200122053 835913353 /nfs/dbraw/zinc/91/33/53/835913353.db2.gz AVTASPMFCOPTFU-CABCVRRESA-N 2 0 338.452 -0.434 20 0 EBADRP NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001200606462 835996251 /nfs/dbraw/zinc/99/62/51/835996251.db2.gz NXLFJGNOKPNQRD-ZDUSSCGKSA-N 2 0 337.424 -0.896 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC)C1 ZINC001200634866 835999342 /nfs/dbraw/zinc/99/93/42/835999342.db2.gz NAOGJGUUWYEBPI-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001200635889 836001096 /nfs/dbraw/zinc/00/10/96/836001096.db2.gz XGMRENQLMATDMI-KGLIPLIRSA-N 2 0 326.441 -0.447 20 0 EBADRP CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001200658225 836010471 /nfs/dbraw/zinc/01/04/71/836010471.db2.gz IPTYENLFLQOQOH-HUUCEWRRSA-N 2 0 338.452 -0.434 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CCCO1 ZINC001200687915 836014690 /nfs/dbraw/zinc/01/46/90/836014690.db2.gz IBYKOTOBBKOGBN-GDBMZVCRSA-N 2 0 340.468 -0.378 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CCCO1 ZINC001200688207 836015460 /nfs/dbraw/zinc/01/54/60/836015460.db2.gz LUTBGTCCSICDMG-DZGCQCFKSA-N 2 0 326.441 -0.720 20 0 EBADRP CC[C@H](C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)N2CCC2)C1)[NH+](C)C ZINC001200796387 836037582 /nfs/dbraw/zinc/03/75/82/836037582.db2.gz XGGJOJYGUNFQIG-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H]([NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCCO1)C(N)=O ZINC001200887134 836060532 /nfs/dbraw/zinc/06/05/32/836060532.db2.gz IDXYOVNDBBIAFU-KBPBESRZSA-N 2 0 338.452 -0.304 20 0 EBADRP C[C@@H]([NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1)C(N)=O ZINC001201262041 836119652 /nfs/dbraw/zinc/11/96/52/836119652.db2.gz ROUVZJMNNUWCKV-OLZOCXBDSA-N 2 0 326.441 -0.591 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1 ZINC001201267369 836120106 /nfs/dbraw/zinc/12/01/06/836120106.db2.gz MVTYQWAADYUEQT-AWEZNQCLSA-N 2 0 346.497 -0.400 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001201275767 836121009 /nfs/dbraw/zinc/12/10/09/836121009.db2.gz AHEHCBLLFKKINW-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1 ZINC001201309367 836126945 /nfs/dbraw/zinc/12/69/45/836126945.db2.gz PHUJTYMBYJAVMD-JKSUJKDBSA-N 2 0 343.468 -0.457 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1 ZINC001201309627 836127246 /nfs/dbraw/zinc/12/72/46/836127246.db2.gz SBIKOUZLKXQGLI-CQSZACIVSA-N 2 0 326.441 -0.719 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001201321142 836129649 /nfs/dbraw/zinc/12/96/49/836129649.db2.gz FEMLFYYBAWQYNL-UHFFFAOYSA-N 2 0 327.429 -0.508 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCCO[C@@H](C[NH2+]CCOCCO)C2)C1 ZINC001201401979 836139976 /nfs/dbraw/zinc/13/99/76/836139976.db2.gz AGADTDPQTPRRNL-CVEARBPZSA-N 2 0 343.468 -0.456 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCO[C@H](C[NH2+]CCOCCO)C1 ZINC001201403644 836140571 /nfs/dbraw/zinc/14/05/71/836140571.db2.gz NXUBNSGRLCEFHU-HZPDHXFCSA-N 2 0 343.468 -0.313 20 0 EBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CCCO1)C(N)=O ZINC001201419486 836143448 /nfs/dbraw/zinc/14/34/48/836143448.db2.gz FUAHMDCGTADSKL-ZIAGYGMSSA-N 2 0 340.468 -0.201 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001201677468 836174139 /nfs/dbraw/zinc/17/41/39/836174139.db2.gz CEUWGSRVTOKUQW-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCCO[C@H](C[NH2+]CCOCCO)C1 ZINC001201677780 836174365 /nfs/dbraw/zinc/17/43/65/836174365.db2.gz DDKJZYQNVRBMOA-OAHLLOKOSA-N 2 0 331.457 -0.456 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCCO[C@@H](C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001201679070 836174689 /nfs/dbraw/zinc/17/46/89/836174689.db2.gz RXANOVOVXQBUJJ-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001201808357 836194528 /nfs/dbraw/zinc/19/45/28/836194528.db2.gz CBCCRJYJHUISDS-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001201864272 836207855 /nfs/dbraw/zinc/20/78/55/836207855.db2.gz VBTZYMISMQQIFM-ZIAGYGMSSA-N 2 0 326.441 -0.719 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCCO[C@@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC001201864442 836209253 /nfs/dbraw/zinc/20/92/53/836209253.db2.gz XIDPEFBUEMGINA-CVEARBPZSA-N 2 0 343.468 -0.192 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001201924506 836216453 /nfs/dbraw/zinc/21/64/53/836216453.db2.gz NHROIBWKJRFZNA-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001201930566 836217096 /nfs/dbraw/zinc/21/70/96/836217096.db2.gz DGBKUAYNXGVZLH-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCCO[C@@H](C[NH2+][C@H](CC)C(N)=O)C1 ZINC001201931987 836218569 /nfs/dbraw/zinc/21/85/69/836218569.db2.gz QBFTXAQZISUIDQ-UONOGXRCSA-N 2 0 328.457 -0.201 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001202057167 836242056 /nfs/dbraw/zinc/24/20/56/836242056.db2.gz DOMOGPJNTBGCRT-HUUCEWRRSA-N 2 0 338.452 -0.623 20 0 EBADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1)C(=O)N(C)C ZINC001202058994 836244820 /nfs/dbraw/zinc/24/48/20/836244820.db2.gz NCUZIXFWSVKFGW-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H]([NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1)C(=O)N(C)C ZINC001202058992 836245084 /nfs/dbraw/zinc/24/50/84/836245084.db2.gz NCUZIXFWSVKFGW-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NC3CC3)C2)C1 ZINC001202059427 836245117 /nfs/dbraw/zinc/24/51/17/836245117.db2.gz PLXHNXOSQMNXSM-DZGCQCFKSA-N 2 0 338.452 -0.576 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001202058249 836245887 /nfs/dbraw/zinc/24/58/87/836245887.db2.gz IYPHLILKSIPRDD-KBPBESRZSA-N 2 0 347.481 -0.810 20 0 EBADRP COCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)CCCO1 ZINC001202069095 836248083 /nfs/dbraw/zinc/24/80/83/836248083.db2.gz LKILKCZQXIOCNJ-HZPDHXFCSA-N 2 0 343.468 -0.192 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCCO1 ZINC001202162825 836265183 /nfs/dbraw/zinc/26/51/83/836265183.db2.gz AEFOHPLXIBMARF-KGLIPLIRSA-N 2 0 328.457 -0.332 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001202163845 836265872 /nfs/dbraw/zinc/26/58/72/836265872.db2.gz IQYCKKZNQJOPPN-HUUCEWRRSA-N 2 0 340.468 -0.188 20 0 EBADRP COCCOC[C@H](O)C[NH2+]C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001202238341 836282350 /nfs/dbraw/zinc/28/23/50/836282350.db2.gz CGWOHZKPEGBGHW-MRXNPFEDSA-N 2 0 345.484 -0.067 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC([NH2+]CCS(C)(=O)=O)CC2)C1 ZINC001202496762 836307875 /nfs/dbraw/zinc/30/78/75/836307875.db2.gz XQFRNRBELCFRFV-CYBMUJFWSA-N 2 0 331.482 -0.047 20 0 EBADRP C[C@H]([NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1)C(=O)NC(N)=O ZINC001202496797 836308379 /nfs/dbraw/zinc/30/83/79/836308379.db2.gz YVOKPOKHBIUNOA-RYUDHWBXSA-N 2 0 339.440 -0.365 20 0 EBADRP C[C@@H]([NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1)C(=O)NC(N)=O ZINC001202496798 836309234 /nfs/dbraw/zinc/30/92/34/836309234.db2.gz YVOKPOKHBIUNOA-VXGBXAGGSA-N 2 0 339.440 -0.365 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC([NH2+]CCNS(=O)(=O)CC)CC1 ZINC001203215610 836407817 /nfs/dbraw/zinc/40/78/17/836407817.db2.gz VMRLISOZIAZUBD-UHFFFAOYSA-N 2 0 348.513 -0.152 20 0 EBADRP CCn1nncc1C[NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001203349050 836423760 /nfs/dbraw/zinc/42/37/60/836423760.db2.gz FVJCWEFCVFKLQY-UHFFFAOYSA-N 2 0 338.456 -0.043 20 0 EBADRP NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001203511578 836440181 /nfs/dbraw/zinc/44/01/81/836440181.db2.gz BKSVHYDXHSFVPG-INIZCTEOSA-N 2 0 337.424 -0.752 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]CC(=O)Nc3cnccn3)CC2)C1 ZINC001203693358 836461901 /nfs/dbraw/zinc/46/19/01/836461901.db2.gz WBACDOUOARCSDJ-CYBMUJFWSA-N 2 0 346.435 -0.053 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCC([NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001203715074 836467045 /nfs/dbraw/zinc/46/70/45/836467045.db2.gz ZPXFBRBSIXPSAK-INIZCTEOSA-N 2 0 335.452 -0.080 20 0 EBADRP CC[C@H](C(=O)N1CCC(C[NH2+][C@@H](C)C(=O)NC(N)=O)CC1)[NH+](C)C ZINC001205518562 836575043 /nfs/dbraw/zinc/57/50/43/836575043.db2.gz CKFNLVAUKOASQS-WCQYABFASA-N 2 0 341.456 -0.262 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CC1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001206872738 836685722 /nfs/dbraw/zinc/68/57/22/836685722.db2.gz RSASJENGRHWCDG-CYBMUJFWSA-N 2 0 328.457 -0.473 20 0 EBADRP COC[C@@H](O)C[NH2+]CC1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001206873821 836686362 /nfs/dbraw/zinc/68/63/62/836686362.db2.gz QTKLKKYESRYXAY-HNNXBMFYSA-N 2 0 331.457 -0.600 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001206954819 836728393 /nfs/dbraw/zinc/72/83/93/836728393.db2.gz ZBHBKUYXJQECIW-LBPRGKRZSA-N 2 0 341.456 -0.262 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001208063674 836939025 /nfs/dbraw/zinc/93/90/25/836939025.db2.gz RSGXHGSKYCQYRS-QWHCGFSZSA-N 2 0 337.424 -0.896 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1)C(=O)NC(N)=O ZINC001208330599 836997813 /nfs/dbraw/zinc/99/78/13/836997813.db2.gz ALEILBPQDFZZRG-VXGBXAGGSA-N 2 0 339.440 -0.365 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001208328579 836998271 /nfs/dbraw/zinc/99/82/71/836998271.db2.gz FZGYBDMPTQLYAB-LBPRGKRZSA-N 2 0 339.440 -0.493 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1)C1CC1 ZINC001208334104 836999583 /nfs/dbraw/zinc/99/95/83/836999583.db2.gz FOTYODMUGMJUOR-AAEUAGOBSA-N 2 0 325.413 -0.898 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208357892 837006136 /nfs/dbraw/zinc/00/61/36/837006136.db2.gz DLTNZPJOESYZMS-QWHCGFSZSA-N 2 0 339.440 -0.364 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001209418913 837166731 /nfs/dbraw/zinc/16/67/31/837166731.db2.gz GSVBHTOLQRTTFQ-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209445720 837167453 /nfs/dbraw/zinc/16/74/53/837167453.db2.gz OOYREMWTTWIUHO-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP COCCOC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209453869 837167466 /nfs/dbraw/zinc/16/74/66/837167466.db2.gz FHKIQPBRHMTEKG-LSDHHAIUSA-N 2 0 331.457 -0.457 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209453988 837167704 /nfs/dbraw/zinc/16/77/04/837167704.db2.gz IPASYHGONSCWET-CYBMUJFWSA-N 2 0 334.486 -0.542 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001209455609 837168417 /nfs/dbraw/zinc/16/84/17/837168417.db2.gz VTCVFBJLFKFGQU-GJZGRUSLSA-N 2 0 340.468 -0.498 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001209670185 837188668 /nfs/dbraw/zinc/18/86/68/837188668.db2.gz XMWBENJEDBMERH-OLZOCXBDSA-N 2 0 341.456 -0.247 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001210339911 837272392 /nfs/dbraw/zinc/27/23/92/837272392.db2.gz RRTYLWFXRMEFMB-CYBMUJFWSA-N 2 0 326.441 -0.576 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]C[C@@H](O)COCCOC)C1 ZINC001210494309 837289354 /nfs/dbraw/zinc/28/93/54/837289354.db2.gz UMDQEJLKECUWIL-JKSUJKDBSA-N 2 0 345.484 -0.067 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001210493714 837290288 /nfs/dbraw/zinc/29/02/88/837290288.db2.gz OALKJCWOBCGLGY-NWDGAFQWSA-N 2 0 327.429 -0.508 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001210493531 837291031 /nfs/dbraw/zinc/29/10/31/837291031.db2.gz MHAGJMKVVDEEAP-ZDUSSCGKSA-N 2 0 339.440 -0.539 20 0 EBADRP CS(=O)(=O)CC[NH2+][C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210673898 837316582 /nfs/dbraw/zinc/31/65/82/837316582.db2.gz JGDXKDPGCCHOQO-ZDUSSCGKSA-N 2 0 329.466 -0.293 20 0 EBADRP CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)COCC[NH+](C)C)C2)C1=O ZINC001210685733 837319802 /nfs/dbraw/zinc/31/98/02/837319802.db2.gz YBRDTGXTSJNDIS-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210685425 837320184 /nfs/dbraw/zinc/32/01/84/837320184.db2.gz VTOASNYVFWNZFF-LBPRGKRZSA-N 2 0 337.424 -0.882 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]C[C@H](O)COCCOC)C1 ZINC001210811106 837334013 /nfs/dbraw/zinc/33/40/13/837334013.db2.gz JAUGPSJVWFWEMU-HOTGVXAUSA-N 2 0 345.484 -0.067 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211064064 837376101 /nfs/dbraw/zinc/37/61/01/837376101.db2.gz HRIKBNAYTCSUNE-HZPDHXFCSA-N 2 0 340.468 -0.329 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211089856 837384779 /nfs/dbraw/zinc/38/47/79/837384779.db2.gz BBRARURLHPYWRW-OLZOCXBDSA-N 2 0 339.440 -0.493 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001211091782 837384942 /nfs/dbraw/zinc/38/49/42/837384942.db2.gz OQMVBGYHEBCFGD-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213863797 837889288 /nfs/dbraw/zinc/88/92/88/837889288.db2.gz SZDWAUBDTCSCIQ-ARFHVFGLSA-N 2 0 343.468 -0.193 20 0 EBADRP C[NH+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001319774175 838177012 /nfs/dbraw/zinc/17/70/12/838177012.db2.gz HVDUDADKSULROK-GFCCVEGCSA-N 2 0 327.429 -0.506 20 0 EBADRP Cc1nc(C)n(CC[NH2+]C[C@@H](O)CNC(=O)C2([NH+](C)C)CCC2)n1 ZINC001320236028 838720328 /nfs/dbraw/zinc/72/03/28/838720328.db2.gz UVDRVOUGJUSLIJ-CQSZACIVSA-N 2 0 338.456 -0.554 20 0 EBADRP Cc1noc(CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001320236888 838721315 /nfs/dbraw/zinc/72/13/15/838721315.db2.gz CTHJHVGKANPGSJ-ZIAGYGMSSA-N 2 0 339.440 -0.138 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CCOCC(F)(F)F)C1 ZINC001320313050 838755056 /nfs/dbraw/zinc/75/50/56/838755056.db2.gz KXKZDKVORVIXGN-QWRGUYRKSA-N 2 0 327.347 -0.416 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CCNC(=O)NC(C)(C)C)C1 ZINC001320316537 838756402 /nfs/dbraw/zinc/75/64/02/838756402.db2.gz YEAAJPFKNPFAHX-QWHCGFSZSA-N 2 0 343.472 -0.898 20 0 EBADRP C[C@@H](CC[NH2+]CCN(C)S(C)(=O)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320371928 838761156 /nfs/dbraw/zinc/76/11/56/838761156.db2.gz NECNRJNLKBLSAV-QWHCGFSZSA-N 2 0 334.486 -0.544 20 0 EBADRP C[C@H](CC[NH2+]CCNS(C)(=O)=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001320421132 838768095 /nfs/dbraw/zinc/76/80/95/838768095.db2.gz JSBPANBYTZMTSO-JHJVBQTASA-N 2 0 334.486 -0.640 20 0 EBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001320512553 838781766 /nfs/dbraw/zinc/78/17/66/838781766.db2.gz DWCTZWPZBUDYSG-MRXNPFEDSA-N 2 0 344.375 -0.611 20 0 EBADRP C[C@@H](CC[NH2+]CCCN1C(=O)CNC1=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320518141 838782839 /nfs/dbraw/zinc/78/28/39/838782839.db2.gz QLGMPCRZINJYII-QWHCGFSZSA-N 2 0 339.440 -0.493 20 0 EBADRP C[C@H](CC[NH2+]CCN1CCNC1=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320523978 838784796 /nfs/dbraw/zinc/78/47/96/838784796.db2.gz SJLDFSBCXFOOCW-KGLIPLIRSA-N 2 0 325.457 -0.020 20 0 EBADRP CCN(CC[NH2+]CC(=O)N(C)C)C(=O)COC1CC[NH+](C)CC1 ZINC001320880764 838853787 /nfs/dbraw/zinc/85/37/87/838853787.db2.gz QKLGLAMILMOXJV-UHFFFAOYSA-N 2 0 328.457 -0.377 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001321394085 838980597 /nfs/dbraw/zinc/98/05/97/838980597.db2.gz VJWCBASNYSHTJE-AGFGORMFSA-N 2 0 339.440 -0.566 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001321394430 838980771 /nfs/dbraw/zinc/98/07/71/838980771.db2.gz WODQYJOUWNBXBB-JDGPPOGSSA-N 2 0 337.424 -0.812 20 0 EBADRP C[C@H](C[NH2+]CCN1CCCS1(=O)=O)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001321480159 838999277 /nfs/dbraw/zinc/99/92/77/838999277.db2.gz YWCCZHBRZFGCTC-OLZOCXBDSA-N 2 0 332.470 -0.790 20 0 EBADRP C[C@H](C[NH2+]CCN(C)S(C)(=O)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001321710219 839058839 /nfs/dbraw/zinc/05/88/39/839058839.db2.gz MOSRKGFECLTULH-GFCCVEGCSA-N 2 0 332.470 -0.932 20 0 EBADRP C[N@H+](CC(=O)N[C@H](C[NH2+][C@H]1CCC(=O)NC1=O)C1CC1)C1CCC1 ZINC001323013767 839321745 /nfs/dbraw/zinc/32/17/45/839321745.db2.gz DXWSNFFUWTVRCB-UONOGXRCSA-N 2 0 336.436 -0.240 20 0 EBADRP C[C@@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)CC[NH+](C)C ZINC001324080454 839589774 /nfs/dbraw/zinc/58/97/74/839589774.db2.gz ITBMHDWMWYBOIL-OLZOCXBDSA-N 2 0 334.486 -0.544 20 0 EBADRP C[C@@]1(C[NH2+]CCOCCO)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001324813201 839718681 /nfs/dbraw/zinc/71/86/81/839718681.db2.gz MCLFOWZTKXYKLG-INIZCTEOSA-N 2 0 325.453 -0.081 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@](C)(CO)C1 ZINC001325697545 839914043 /nfs/dbraw/zinc/91/40/43/839914043.db2.gz JONIWAXAIBWKDZ-KRWDZBQOSA-N 2 0 342.484 -0.441 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCOCCO)C[C@@H]2C1 ZINC001325753928 839928778 /nfs/dbraw/zinc/92/87/78/839928778.db2.gz OKLZMCGNYXVLEL-OWCLPIDISA-N 2 0 325.453 -0.130 20 0 EBADRP CN1CCO[C@@H](C(=O)N2CCC[C@H]3C[N@H+](CCOCCO)C[C@H]32)C1 ZINC001325936062 839979194 /nfs/dbraw/zinc/97/91/94/839979194.db2.gz SAXOROVKTTXNOQ-ARFHVFGLSA-N 2 0 341.452 -0.751 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC001326547921 840131645 /nfs/dbraw/zinc/13/16/45/840131645.db2.gz JRYXCDHOPDLRBU-MGPQQGTHSA-N 2 0 348.451 -0.113 20 0 EBADRP [NH3+]C[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC001327498111 840436831 /nfs/dbraw/zinc/43/68/31/840436831.db2.gz JJYXBXFRIRRRCH-HIFRSBDPSA-N 2 0 338.452 -0.447 20 0 EBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC001327723539 840504067 /nfs/dbraw/zinc/50/40/67/840504067.db2.gz NJADISZIQMYIHX-GASCZTMLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+]CCn2cccn2)CC1 ZINC001328187659 840613888 /nfs/dbraw/zinc/61/38/88/840613888.db2.gz YRKRKEPDPAPCPU-OAHLLOKOSA-N 2 0 335.452 -0.080 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccccc1C[NH3+] ZINC001328767665 840745720 /nfs/dbraw/zinc/74/57/20/840745720.db2.gz BNQVMXXSIZWJLW-UHFFFAOYSA-N 2 0 336.436 -0.202 20 0 EBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC001328982922 840806342 /nfs/dbraw/zinc/80/63/42/840806342.db2.gz WDHAFWCPLTZLNH-CYBMUJFWSA-N 2 0 333.436 -0.032 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001329201479 840872434 /nfs/dbraw/zinc/87/24/34/840872434.db2.gz CKQIPJWGZZBLON-NEPJUHHUSA-N 2 0 327.429 -0.639 20 0 EBADRP C[NH+]1CC2(C1)CCN(C(=O)C(F)C(=O)N1CCC3(C[NH+](C)C3)C1)C2 ZINC001329489701 840938984 /nfs/dbraw/zinc/93/89/84/840938984.db2.gz XNAQBQVKNQTAOJ-UHFFFAOYSA-N 2 0 338.427 -0.347 20 0 EBADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)CCN1C(=O)CNC1=O)[NH+](C)C ZINC001329592659 840959876 /nfs/dbraw/zinc/95/98/76/840959876.db2.gz SFOGFKGARCNBSB-VXGBXAGGSA-N 2 0 327.429 -0.685 20 0 EBADRP C[C@H](CNC(=O)CCCC[NH+](C)C)[N@H+](C)[C@H]1CCC(=O)NC1=O ZINC001329592756 840961264 /nfs/dbraw/zinc/96/12/64/840961264.db2.gz UAQRQUYUQSWHNK-OLZOCXBDSA-N 2 0 326.441 -0.040 20 0 EBADRP CN1CCO[C@H](C(=O)N2CCC(OCCC[NH2+]CCCO)CC2)C1 ZINC001329773299 841014284 /nfs/dbraw/zinc/01/42/84/841014284.db2.gz JFYHCOQZIGTCNM-INIZCTEOSA-N 2 0 343.468 -0.313 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001329841132 841038348 /nfs/dbraw/zinc/03/83/48/841038348.db2.gz BWOKUFPGIGRWOA-TZMCWYRMSA-N 2 0 326.441 -0.530 20 0 EBADRP C[NH2+]C1CCN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC001329943820 841069501 /nfs/dbraw/zinc/06/95/01/841069501.db2.gz FXXZHLMJOHYESF-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP Cn1cc(CC[NH2+]C[C@@H]2C[C@@H](NC(=O)[C@H]3CN(C)CCO3)C2)cn1 ZINC001330583498 841239842 /nfs/dbraw/zinc/23/98/42/841239842.db2.gz NEITVEXXTKGDRZ-BZUAXINKSA-N 2 0 335.452 -0.222 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC001330602390 841243960 /nfs/dbraw/zinc/24/39/60/841243960.db2.gz NUUPKDMXGXPJMT-LBPRGKRZSA-N 2 0 325.413 -0.803 20 0 EBADRP Cc1nnccc1NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001330815044 841277707 /nfs/dbraw/zinc/27/77/07/841277707.db2.gz DOVPYUCZHVMMAC-ZIAGYGMSSA-N 2 0 348.451 -0.079 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC001330872129 841287986 /nfs/dbraw/zinc/28/79/86/841287986.db2.gz VNEYCSGRCCJBNL-UONOGXRCSA-N 2 0 325.457 -0.922 20 0 EBADRP C[C@H](CCC[NH2+]CC(=O)NC(N)=O)NC(=O)C[NH+]1CCC(C)CC1 ZINC001330943721 841300036 /nfs/dbraw/zinc/30/00/36/841300036.db2.gz APZTZPFHMABWOR-CYBMUJFWSA-N 2 0 341.456 -0.212 20 0 EBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC001331140869 841351270 /nfs/dbraw/zinc/35/12/70/841351270.db2.gz NYFJIOXAZDOWFS-SNVBAGLBSA-N 2 0 339.465 -0.057 20 0 EBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC001331205529 841370227 /nfs/dbraw/zinc/37/02/27/841370227.db2.gz URVMWRUKOBDBRS-UTUOFQBUSA-N 2 0 332.395 -0.196 20 0 EBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC001331603427 841436973 /nfs/dbraw/zinc/43/69/73/841436973.db2.gz FBALXWQTKBCJPD-GUTXKFCHSA-N 2 0 338.452 -0.401 20 0 EBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001331634880 841445687 /nfs/dbraw/zinc/44/56/87/841445687.db2.gz CKPOWNZWKUTOJS-RBSFLKMASA-N 3 0 341.500 -0.844 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CCCO1 ZINC001332232560 841595695 /nfs/dbraw/zinc/59/56/95/841595695.db2.gz OBZSAZLBYDJTII-QLFBSQMISA-N 2 0 340.468 -0.010 20 0 EBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)C1 ZINC001332251287 841599666 /nfs/dbraw/zinc/59/96/66/841599666.db2.gz QYZZAHFVLWVKOL-LXTVHRRPSA-N 2 0 338.452 -0.401 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001332303737 841610631 /nfs/dbraw/zinc/61/06/31/841610631.db2.gz UZPWCVOVCHEUDS-RBSFLKMASA-N 2 0 339.484 -0.770 20 0 EBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)C[NH+]1CCN(C)CC1 ZINC001332303248 841610655 /nfs/dbraw/zinc/61/06/55/841610655.db2.gz SNBUNQOQCOPNDL-RBSFLKMASA-N 2 0 339.484 -0.628 20 0 EBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)C[NH+]1CCN(C)CC1 ZINC001332303247 841610751 /nfs/dbraw/zinc/61/07/51/841610751.db2.gz SNBUNQOQCOPNDL-QLFBSQMISA-N 2 0 339.484 -0.628 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C(C)(C)C1 ZINC001332412897 841636413 /nfs/dbraw/zinc/63/64/13/841636413.db2.gz JGONKDCPZAMJKG-CYBMUJFWSA-N 2 0 338.452 -0.086 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCn1cncn1 ZINC001332502320 841654881 /nfs/dbraw/zinc/65/48/81/841654881.db2.gz BLBKOJAYYGYPRD-CABCVRRESA-N 2 0 338.456 -0.440 20 0 EBADRP CC(C)[C@H](CNC(=O)C(=O)NCC[C@H](C)[NH3+])N1CC[NH+](C)CC1 ZINC001333180187 841814706 /nfs/dbraw/zinc/81/47/06/841814706.db2.gz YUEIZQDQPMKECG-KBPBESRZSA-N 2 0 327.473 -0.772 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CCOCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001333223115 841826064 /nfs/dbraw/zinc/82/60/64/841826064.db2.gz NRWAVNIWEUXFLO-BFHYXJOUSA-N 2 0 328.457 -0.474 20 0 EBADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001333361121 841858808 /nfs/dbraw/zinc/85/88/08/841858808.db2.gz MVLOSWOFAVOTGY-PMPSAXMXSA-N 2 0 328.416 -0.050 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001333424877 841873856 /nfs/dbraw/zinc/87/38/56/841873856.db2.gz MIOZBSUSXSSFKE-BFHYXJOUSA-N 3 0 327.473 -0.962 20 0 EBADRP OCC1(O)CC[NH+](CCCCC[NH+]2CCC(O)(CO)CC2)CC1 ZINC001333615578 841917392 /nfs/dbraw/zinc/91/73/92/841917392.db2.gz LHVSXIMUZJGODR-UHFFFAOYSA-N 2 0 330.469 -0.205 20 0 EBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001333961379 841976617 /nfs/dbraw/zinc/97/66/17/841976617.db2.gz UWEFYCOWXJPRHA-UONOGXRCSA-N 2 0 325.457 -0.922 20 0 EBADRP CC1(C)CN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC[NH2+]1 ZINC001334788028 842131589 /nfs/dbraw/zinc/13/15/89/842131589.db2.gz MVXZACPFRGQYER-UONOGXRCSA-N 2 0 338.452 -0.746 20 0 EBADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC001335206835 842225514 /nfs/dbraw/zinc/22/55/14/842225514.db2.gz HAFVRDVGZOQJFL-INIZCTEOSA-N 2 0 326.441 -0.853 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC001335208609 842225751 /nfs/dbraw/zinc/22/57/51/842225751.db2.gz YGKPDUKRHODQAD-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC001335277252 842247618 /nfs/dbraw/zinc/24/76/18/842247618.db2.gz KSNRNXPBVULFDM-KGLIPLIRSA-N 2 0 340.468 -0.465 20 0 EBADRP [NH3+]CCCOCCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001335591343 842311422 /nfs/dbraw/zinc/31/14/22/842311422.db2.gz OHDZAFYXXKUADC-IYBDPMFKSA-N 3 0 339.484 -0.038 20 0 EBADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001335751470 842349937 /nfs/dbraw/zinc/34/99/37/842349937.db2.gz NZQHMEXBQLGDRN-QGZVFWFLSA-N 2 0 342.484 -0.073 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001336675211 842534123 /nfs/dbraw/zinc/53/41/23/842534123.db2.gz DRUBDQIWWLNWCM-CQSZACIVSA-N 2 0 342.484 -0.083 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)CC[N@@H+]1C ZINC001338276689 842774791 /nfs/dbraw/zinc/77/47/91/842774791.db2.gz FCXOUXOBLBDSMX-CHWSQXEVSA-N 2 0 326.441 -0.448 20 0 EBADRP O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)N1CCNCC[NH2+]CC1 ZINC001338587906 842838735 /nfs/dbraw/zinc/83/87/35/842838735.db2.gz DWQHWXWLOIWMKZ-JKSUJKDBSA-N 2 0 339.484 -0.431 20 0 EBADRP C[NH+]1CCN(CCOc2ccc(NC(=O)CNCC[NH3+])cc2)CC1 ZINC001340119720 842972661 /nfs/dbraw/zinc/97/26/61/842972661.db2.gz UFQOVJUIRDXZOD-UHFFFAOYSA-N 2 0 335.452 -0.200 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC001340206283 842981429 /nfs/dbraw/zinc/98/14/29/842981429.db2.gz QTKKWMXSZABIOJ-DVOMOZLQSA-N 2 0 326.441 -0.842 20 0 EBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC001340243429 842984791 /nfs/dbraw/zinc/98/47/91/842984791.db2.gz ZUXGIYGKTPFBCB-HNNXBMFYSA-N 2 0 331.420 -0.073 20 0 EBADRP [NH3+]CCN1CCC[C@@H](C(=O)NCCC[NH+]2CCC(O)CC2)C1=O ZINC001340808889 843032718 /nfs/dbraw/zinc/03/27/18/843032718.db2.gz PEYJMGKRIUDBID-AWEZNQCLSA-N 2 0 326.441 -0.853 20 0 EBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001341664878 843104267 /nfs/dbraw/zinc/10/42/67/843104267.db2.gz GQXSIXNNIHHMKD-UPJWGTAASA-N 2 0 349.401 -0.673 20 0 EBADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)CNCC[NH3+])CC1 ZINC001343454266 843237580 /nfs/dbraw/zinc/23/75/80/843237580.db2.gz UQNBYNADJJSMKR-UHFFFAOYSA-N 2 0 349.479 -0.176 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)C[NH+]1CCN(C)CC1 ZINC001345206462 843376740 /nfs/dbraw/zinc/37/67/40/843376740.db2.gz VSVKKTCOTTVEIX-CQSZACIVSA-N 2 0 339.484 -0.804 20 0 EBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC001345930213 843463206 /nfs/dbraw/zinc/46/32/06/843463206.db2.gz BRCDCIBGSDKDNT-WMZOPIPTSA-N 2 0 349.523 -0.139 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])C[NH+](C)C ZINC001345967435 843466590 /nfs/dbraw/zinc/46/65/90/843466590.db2.gz JXHFZJUYOSNTPJ-MCIONIFRSA-N 2 0 328.457 -0.297 20 0 EBADRP [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001347085318 843589986 /nfs/dbraw/zinc/58/99/86/843589986.db2.gz IOADOKPLSUTFTK-KDJCLPLCSA-N 2 0 336.436 -0.694 20 0 EBADRP C[C@@H](CNC(=O)N1CCN(C)CC[N@H+](C)CC1)N1CC[NH+](C)CC1 ZINC001348662796 843727989 /nfs/dbraw/zinc/72/79/89/843727989.db2.gz FFVYAAZTDIYFTL-INIZCTEOSA-N 2 0 340.516 -0.489 20 0 EBADRP CC(=O)N(C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1cccc2c1C[NH2+]CC2 ZINC001348713736 843739131 /nfs/dbraw/zinc/73/91/31/843739131.db2.gz DGVHUBMNOVTYQD-KBPBESRZSA-N 2 0 342.399 -0.216 20 0 EBADRP COCCOCCN1CCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001348845342 843756993 /nfs/dbraw/zinc/75/69/93/843756993.db2.gz DYOQHBFHORYURN-HZPDHXFCSA-N 2 0 340.468 -0.818 20 0 EBADRP COCCO[C@@H]1COCC[C@@H]1[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001348970675 843781110 /nfs/dbraw/zinc/78/11/10/843781110.db2.gz AQMNBVMBLQORJM-HRCADAONSA-N 2 0 331.457 -0.995 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001349023528 843792684 /nfs/dbraw/zinc/79/26/84/843792684.db2.gz HOFVBEPZPKHWOU-ZIAGYGMSSA-N 2 0 326.441 -0.861 20 0 EBADRP CC(C)[C@@H](C(=O)NCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)[NH+](C)C ZINC001349430997 843902976 /nfs/dbraw/zinc/90/29/76/843902976.db2.gz MKDHIJKHOJNHMJ-GJZGRUSLSA-N 2 0 342.484 -0.086 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001349993908 843956634 /nfs/dbraw/zinc/95/66/34/843956634.db2.gz DKNHFOZRBQPMMP-AYRXBEOTSA-N 2 0 338.452 -0.572 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001687261614 1125821811 /nfs/dbraw/zinc/82/18/11/1125821811.db2.gz OXARLKVZBLLQMP-HNNXBMFYSA-N 2 0 340.468 -0.423 20 0 EBADRP C[NH+](C)CC1(C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001691162025 1125839479 /nfs/dbraw/zinc/83/94/79/1125839479.db2.gz SJCLVGOBFJNGQP-JHJVBQTASA-N 2 0 336.436 -0.382 20 0 EBADRP Cn1cncc1CCC(=O)NC[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001691168342 1125839755 /nfs/dbraw/zinc/83/97/55/1125839755.db2.gz HNPMHHVIAZUMFO-TZMCWYRMSA-N 2 0 347.419 -0.404 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)[NH+](C)C ZINC001691178149 1125841379 /nfs/dbraw/zinc/84/13/79/1125841379.db2.gz NVEJFKOYWNHUNE-BHPKHCPMSA-N 2 0 338.452 -0.138 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CC(=O)NC[C@@H]2CCCO2)CC[N@@H+]1C ZINC001691324395 1125851239 /nfs/dbraw/zinc/85/12/39/1125851239.db2.gz DTVDRFBPZFPZFR-QLFBSQMISA-N 2 0 340.468 -0.330 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)[C@@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001480975991 1125902551 /nfs/dbraw/zinc/90/25/51/1125902551.db2.gz PPRPMDWPLMUUDE-BFHYXJOUSA-N 2 0 338.452 -0.040 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1CCN1CCNC1=O ZINC001481069726 1125917013 /nfs/dbraw/zinc/91/70/13/1125917013.db2.gz CZXYUSVMAVNHQM-CQSZACIVSA-N 2 0 325.457 -0.068 20 0 EBADRP Cn1ccnc1CCC(=O)NC[C@@H]1CCC[N@@H+]1CCN1CCNC1=O ZINC001481048664 1125913417 /nfs/dbraw/zinc/91/34/17/1125913417.db2.gz AXPNALBKYQWGER-AWEZNQCLSA-N 2 0 348.451 -0.042 20 0 EBADRP CCC[N@H+](CCNC(=O)[C@H](CC)[NH+](C)C)[C@@H]1CCC(=O)NC1=O ZINC001481147771 1125931026 /nfs/dbraw/zinc/93/10/26/1125931026.db2.gz MLGFKBLDMLPZDC-QWHCGFSZSA-N 2 0 326.441 -0.040 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+](CCNS(C)(=O)=O)C1 ZINC001481127369 1125928031 /nfs/dbraw/zinc/92/80/31/1125928031.db2.gz UKISWINMZQEIOI-CYBMUJFWSA-N 2 0 334.486 -0.686 20 0 EBADRP C[C@@H](C(N)=O)N(CCNC(=O)C(C)(C)C[NH+]1CCOCC1)C1CC1 ZINC001481174359 1125933855 /nfs/dbraw/zinc/93/38/55/1125933855.db2.gz UHKALVQMZNKWLU-ZDUSSCGKSA-N 2 0 340.468 -0.201 20 0 EBADRP CN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)C1CC[NH+](C)CC1 ZINC001481276395 1125962308 /nfs/dbraw/zinc/96/23/08/1125962308.db2.gz VPFYXEQOTFGYQZ-UHFFFAOYSA-N 2 0 326.441 -0.765 20 0 EBADRP Cc1nccn1CC(=O)N(C)CC[NH2+]CC(=O)NCc1cccnc1 ZINC001481314772 1125971078 /nfs/dbraw/zinc/97/10/78/1125971078.db2.gz LGTKLOPZNZVIST-UHFFFAOYSA-N 2 0 344.419 -0.049 20 0 EBADRP CCN(C)C(=O)C[NH2+]CCN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001481315412 1125971084 /nfs/dbraw/zinc/97/10/84/1125971084.db2.gz ZKJHCKUQZIVUOZ-AWEZNQCLSA-N 2 0 328.457 -0.519 20 0 EBADRP C[NH+](C)CCC(=O)NCC[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001481448290 1125991634 /nfs/dbraw/zinc/99/16/34/1125991634.db2.gz XEQJXXCRGBCDKD-AWEZNQCLSA-N 2 0 338.452 -0.085 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C[C@H]1C ZINC001671255840 1125995338 /nfs/dbraw/zinc/99/53/38/1125995338.db2.gz AEHMBTIKWLZYSZ-ZIAGYGMSSA-N 2 0 348.513 -0.155 20 0 EBADRP O=C(CCn1ccnc1)N[C@@H]1CCC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001481527526 1126008671 /nfs/dbraw/zinc/00/86/71/1126008671.db2.gz NYALRWCIBFSGCE-CYBMUJFWSA-N 2 0 348.407 -0.594 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001481727692 1126046106 /nfs/dbraw/zinc/04/61/06/1126046106.db2.gz NAMWRSDOENDRPD-OLZOCXBDSA-N 2 0 339.440 -0.413 20 0 EBADRP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CCN1C(=O)CNC1=O ZINC001481819401 1126059223 /nfs/dbraw/zinc/05/92/23/1126059223.db2.gz VWTFMFCRLRZMFQ-LBPRGKRZSA-N 2 0 339.440 -0.493 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482159210 1126088583 /nfs/dbraw/zinc/08/85/83/1126088583.db2.gz NEFKFEPNEADHIJ-OLZOCXBDSA-N 2 0 341.456 -0.484 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482160118 1126088868 /nfs/dbraw/zinc/08/88/68/1126088868.db2.gz ZDYFXPVFVBATPS-NEPJUHHUSA-N 2 0 327.429 -0.874 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001482325890 1126131900 /nfs/dbraw/zinc/13/19/00/1126131900.db2.gz NNNKYCWTVGLWQT-LLVKDONJSA-N 2 0 327.429 -0.780 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)NC[C@H]1CCCO1)N(C)C(=O)C[NH+]1CCCC1 ZINC001482365991 1126139281 /nfs/dbraw/zinc/13/92/81/1126139281.db2.gz ZTAXNTRZOKOFGM-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP Cn1cc(CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cn1 ZINC001482730202 1126269250 /nfs/dbraw/zinc/26/92/50/1126269250.db2.gz UTERIBKFCYGZRD-HZPDHXFCSA-N 2 0 335.452 -0.629 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCN1CCCC1=O ZINC001482743466 1126274749 /nfs/dbraw/zinc/27/47/49/1126274749.db2.gz YWXMKVTYLBZBNN-ZIAGYGMSSA-N 2 0 326.441 -0.840 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]CCn2cc(Cl)cn2)C1 ZINC001482768271 1126282946 /nfs/dbraw/zinc/28/29/46/1126282946.db2.gz SQHZHARULMCURV-GXTWGEPZSA-N 2 0 343.859 -0.055 20 0 EBADRP CN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001482774140 1126284939 /nfs/dbraw/zinc/28/49/39/1126284939.db2.gz HLPLGXQCJVTSBK-KBPBESRZSA-N 2 0 326.441 -0.984 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]Cc1cc2n(n1)CCCC2 ZINC001482792538 1126288253 /nfs/dbraw/zinc/28/82/53/1126288253.db2.gz IXVAVVFDYRZGBE-INIZCTEOSA-N 2 0 335.452 -0.118 20 0 EBADRP C[C@@H](CC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CC[NH+]1CCCCC1 ZINC001482901946 1126300679 /nfs/dbraw/zinc/30/06/79/1126300679.db2.gz NVUJHMRSFUKTKV-ZDUSSCGKSA-N 2 0 338.456 -0.031 20 0 EBADRP C[C@@H](CC[NH2+][C@@H](C)C(N)=O)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001482845123 1126297723 /nfs/dbraw/zinc/29/77/23/1126297723.db2.gz CQFSYSUFFANGKG-STQMWFEESA-N 2 0 328.457 -0.297 20 0 EBADRP CCN(CC[NH2+]CCN(C)S(C)(=O)=O)C(=O)C1CC[NH+](C)CC1 ZINC001482946974 1126305427 /nfs/dbraw/zinc/30/54/27/1126305427.db2.gz CAQKRYHBUIVQQH-UHFFFAOYSA-N 2 0 348.513 -0.342 20 0 EBADRP CN(CCOCC[N@H+](C)[C@H]1CCNC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001691603934 1126325382 /nfs/dbraw/zinc/32/53/82/1126325382.db2.gz WNLITRQSSNZCNW-HNNXBMFYSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001483137327 1126344934 /nfs/dbraw/zinc/34/49/34/1126344934.db2.gz OTPBHLHSMKRZDI-CYBMUJFWSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001409359596 1126358388 /nfs/dbraw/zinc/35/83/88/1126358388.db2.gz KGBLOBPBWLWWPW-WDEREUQCSA-N 2 0 329.445 -0.358 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001409629378 1126386047 /nfs/dbraw/zinc/38/60/47/1126386047.db2.gz PBGJXPNXLRHXLL-RYUDHWBXSA-N 2 0 329.445 -0.391 20 0 EBADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CCN1CCCS1(=O)=O)[NH+](C)C ZINC001483240810 1126409553 /nfs/dbraw/zinc/40/95/53/1126409553.db2.gz VGJPALMVDAHWNW-QWHCGFSZSA-N 2 0 334.486 -0.544 20 0 EBADRP C[C@@H](C[NH2+]CC1CCS(=O)(=O)CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483293282 1126414581 /nfs/dbraw/zinc/41/45/81/1126414581.db2.gz BFPDMYOQNXHNFR-GXTWGEPZSA-N 2 0 331.482 -0.143 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001483298974 1126415147 /nfs/dbraw/zinc/41/51/47/1126415147.db2.gz RVDYNAYHGUJMBF-JSGCOSHPSA-N 2 0 341.456 -0.343 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001483504178 1126431704 /nfs/dbraw/zinc/43/17/04/1126431704.db2.gz ILOJKGAHMNSSGT-GFCCVEGCSA-N 2 0 339.440 -0.636 20 0 EBADRP CCN1CCO[C@@H](C(=O)N[C@@H](C[NH2+]CCS(C)(=O)=O)C2CC2)C1 ZINC001483607360 1126439836 /nfs/dbraw/zinc/43/98/36/1126439836.db2.gz NPPZMFKNKVYZFX-UONOGXRCSA-N 2 0 347.481 -0.764 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCN1C(=O)CNC1=O)C1CC1 ZINC001483579917 1126437041 /nfs/dbraw/zinc/43/70/41/1126437041.db2.gz NKGUGMWMUHUHPW-CHWSQXEVSA-N 2 0 337.424 -0.883 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](NC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001483596934 1126438924 /nfs/dbraw/zinc/43/89/24/1126438924.db2.gz RNJOESMIPROWCR-DOMZBBRYSA-N 2 0 340.468 -0.284 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]CC(=O)N2CCO[C@H](C)C2)CC1 ZINC001483787024 1126477062 /nfs/dbraw/zinc/47/70/62/1126477062.db2.gz LGKPTZLGVFKOOW-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP O=C(NCC1([NH2+]C[C@@H](O)Cn2cccn2)CC1)C12CC[NH+](CC1)C2 ZINC001483782368 1126478390 /nfs/dbraw/zinc/47/83/90/1126478390.db2.gz APXWAEVOAIVIJY-CQSZACIVSA-N 2 0 333.436 -0.422 20 0 EBADRP O=C(NCC1([NH2+]CCCN2C(=O)CNC2=O)CC1)C12CC[NH+](CC1)C2 ZINC001670890272 1126475176 /nfs/dbraw/zinc/47/51/76/1126475176.db2.gz WZFCOVPQUFADGC-UHFFFAOYSA-N 2 0 349.435 -0.738 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@]3(CC[NH+](CC(=O)NC(N)=O)C3)C2)C1 ZINC001483846547 1126481683 /nfs/dbraw/zinc/48/16/83/1126481683.db2.gz FQKDWKZQTNMPMX-BLLLJJGKSA-N 2 0 337.424 -0.943 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC(=O)N(C)C)CCOCC1 ZINC001484191233 1126513056 /nfs/dbraw/zinc/51/30/56/1126513056.db2.gz LVEXVUWPDDBLHM-UHFFFAOYSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH+](C)CCCC(=O)NCC1([NH2+]CC(=O)N2CCC2)CCOCC1 ZINC001484186602 1126514229 /nfs/dbraw/zinc/51/42/29/1126514229.db2.gz DPFSXYPPXFTNSS-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP Cc1cccnc1C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001484210166 1126520444 /nfs/dbraw/zinc/52/04/44/1126520444.db2.gz CBRUZVDHYJOOOT-WMZOPIPTSA-N 2 0 348.447 -0.226 20 0 EBADRP O=C(NC[C@]1(O)CC[N@H+](CCn2cccn2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001484216393 1126523789 /nfs/dbraw/zinc/52/37/89/1126523789.db2.gz LUBUKYYGSBEQIS-SJLPKXTDSA-N 2 0 347.463 -0.222 20 0 EBADRP O=C(NC[C@@]1(O)CC[N@H+](CCn2cccn2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001484216391 1126524081 /nfs/dbraw/zinc/52/40/81/1126524081.db2.gz LUBUKYYGSBEQIS-AEFFLSMTSA-N 2 0 347.463 -0.222 20 0 EBADRP C[N@H+](CC(=O)NC[C@@]1(O)CC[NH+]([C@H]2CCCNC2=O)C1)C1CCC1 ZINC001484222990 1126525687 /nfs/dbraw/zinc/52/56/87/1126525687.db2.gz JCBQTDHOAGIVOB-YOEHRIQHSA-N 2 0 338.452 -0.698 20 0 EBADRP C[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001484223593 1126525917 /nfs/dbraw/zinc/52/59/17/1126525917.db2.gz HVJKZZYYJRXVSN-WMLDXEAASA-N 2 0 343.468 -0.721 20 0 EBADRP CO[C@@H](C)C[N@@H+]1CC[C@@](O)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001484242989 1126538588 /nfs/dbraw/zinc/53/85/88/1126538588.db2.gz OPPSIQRTFOZKLU-WMLDXEAASA-N 2 0 343.468 -0.315 20 0 EBADRP C[C@@H]([NH2+]CCN1CCNC1=O)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001484356325 1126565132 /nfs/dbraw/zinc/56/51/32/1126565132.db2.gz KRMQAEUOBHKOAU-HUUCEWRRSA-N 2 0 337.468 -0.066 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001484472875 1126589135 /nfs/dbraw/zinc/58/91/35/1126589135.db2.gz KBBHXFVYZZLVSA-FRRDWIJNSA-N 2 0 339.440 -0.556 20 0 EBADRP Cn1nccc1CC[NH2+]CCN(CCO)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001484486944 1126596196 /nfs/dbraw/zinc/59/61/96/1126596196.db2.gz DBBOBOYTXRBDGV-MRXNPFEDSA-N 2 0 337.468 -0.143 20 0 EBADRP O=C(C[NH+]1CCCC1)N(CCO)CC[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC001484501401 1126599451 /nfs/dbraw/zinc/59/94/51/1126599451.db2.gz UUDSWAJPLYWKHP-RDJZCZTQSA-N 2 0 325.453 -0.081 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001484660924 1126614972 /nfs/dbraw/zinc/61/49/72/1126614972.db2.gz WAJBUTBFVBSEFI-GFCCVEGCSA-N 2 0 339.440 -0.588 20 0 EBADRP C[C@H]([NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1)C(N)=O ZINC001484700856 1126622783 /nfs/dbraw/zinc/62/27/83/1126622783.db2.gz UOUZOSOCZUVFGB-KBPBESRZSA-N 2 0 326.441 -0.447 20 0 EBADRP CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CCCC[NH+](C)C)CCO2)C1=O ZINC001484695204 1126624563 /nfs/dbraw/zinc/62/45/63/1126624563.db2.gz ABZBOQKNSZGRDN-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC(=O)NC(N)=O)CC1 ZINC001484727830 1126627331 /nfs/dbraw/zinc/62/73/31/1126627331.db2.gz GULLMFAGLLYYTP-LBPRGKRZSA-N 2 0 327.429 -0.508 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001484745517 1126628202 /nfs/dbraw/zinc/62/82/02/1126628202.db2.gz IMJGQPKTAXWRCZ-LBPRGKRZSA-N 2 0 341.456 -0.166 20 0 EBADRP CCNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001484837674 1126641578 /nfs/dbraw/zinc/64/15/78/1126641578.db2.gz UMQBFNIXQPHMMP-BBRMVZONSA-N 2 0 326.441 -0.840 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@](CO)([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001484852901 1126644429 /nfs/dbraw/zinc/64/44/29/1126644429.db2.gz IHPWLGFRLJHLPS-RHSMWYFYSA-N 2 0 338.452 -0.887 20 0 EBADRP CCC[N@H+](C)CC(=O)NC1(C[NH2+][C@H]2CCCNC2=O)CCOCC1 ZINC001484870946 1126647473 /nfs/dbraw/zinc/64/74/73/1126647473.db2.gz NZOZBQASCGUCRA-AWEZNQCLSA-N 2 0 340.468 -0.138 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001484905429 1126652128 /nfs/dbraw/zinc/65/21/28/1126652128.db2.gz NVFRBMUDZDBQDL-NWDGAFQWSA-N 2 0 327.429 -0.650 20 0 EBADRP Cn1nncc1C[NH2+]CC1(NC(=O)CCC[NH+](C)C)CCOCC1 ZINC001484867657 1126648556 /nfs/dbraw/zinc/64/85/56/1126648556.db2.gz MGGDAKZNGAGJNF-UHFFFAOYSA-N 2 0 338.456 -0.088 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@H](C)C2)CCOCC1 ZINC001484868254 1126648562 /nfs/dbraw/zinc/64/85/62/1126648562.db2.gz GOLGDNZVHCAUIQ-KBPBESRZSA-N 2 0 340.468 -0.282 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCCCC[NH+]1CCN(CCO)CC1 ZINC001485008977 1126663244 /nfs/dbraw/zinc/66/32/44/1126663244.db2.gz DBQHEWZKFRXTBX-MRXNPFEDSA-N 2 0 326.485 -0.023 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)CCN1CCNC1=O ZINC001485068564 1126670667 /nfs/dbraw/zinc/67/06/67/1126670667.db2.gz GKRVAUNCCCYAAA-CQSZACIVSA-N 2 0 325.457 -0.114 20 0 EBADRP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001485337063 1126689835 /nfs/dbraw/zinc/68/98/35/1126689835.db2.gz RKKVPJNHBQPGPQ-RYUDHWBXSA-N 2 0 341.456 -0.119 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC2(CO[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001485673925 1126796278 /nfs/dbraw/zinc/79/62/78/1126796278.db2.gz TYNXPKXIIKDDPG-AWEZNQCLSA-N 2 0 340.468 -0.199 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001485732459 1126818970 /nfs/dbraw/zinc/81/89/70/1126818970.db2.gz IDYDPNZAGRYZKT-QWHCGFSZSA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001485955222 1126921823 /nfs/dbraw/zinc/92/18/23/1126921823.db2.gz HTASBEJYDPHNGL-NWDGAFQWSA-N 2 0 339.440 -0.637 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001485929588 1126922588 /nfs/dbraw/zinc/92/25/88/1126922588.db2.gz ADNPFMZHQCYHHZ-LBPRGKRZSA-N 2 0 341.456 -0.390 20 0 EBADRP CC[C@H]([NH2+][C@H](CO)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C(N)=O ZINC001486014985 1126966265 /nfs/dbraw/zinc/96/62/65/1126966265.db2.gz QBUIHUZUHJBZBV-AAEUAGOBSA-N 2 0 346.391 -0.789 20 0 EBADRP CCN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001486041211 1126988029 /nfs/dbraw/zinc/98/80/29/1126988029.db2.gz MBMJOATWXIGLQV-HUUCEWRRSA-N 2 0 340.468 -0.594 20 0 EBADRP CCN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001486041212 1126988088 /nfs/dbraw/zinc/98/80/88/1126988088.db2.gz MBMJOATWXIGLQV-LSDHHAIUSA-N 2 0 340.468 -0.594 20 0 EBADRP CC[C@@H]([NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C(C)C)CC1)C(N)=O ZINC001486048046 1126995612 /nfs/dbraw/zinc/99/56/12/1126995612.db2.gz HIWTTWZTFBGREN-ZIAGYGMSSA-N 2 0 328.457 -0.563 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]C[C@@H]1COc2ccccc2O1 ZINC001486031140 1127002136 /nfs/dbraw/zinc/00/21/36/1127002136.db2.gz OWCBISHGMDVYQC-UONOGXRCSA-N 2 0 337.420 -0.155 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC2CCCC2)C1 ZINC001486061221 1127010741 /nfs/dbraw/zinc/01/07/41/1127010741.db2.gz JOOPVAVCBBVIOP-GXTWGEPZSA-N 2 0 326.441 -0.936 20 0 EBADRP CN(C[C@@H](O)C[NH2+]C[C@H]1CCNC(=O)CC1)C(=O)CC[NH+](C)C ZINC001486298435 1127105418 /nfs/dbraw/zinc/10/54/18/1127105418.db2.gz OXUVASIELIQRPV-KGLIPLIRSA-N 2 0 328.457 -0.737 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N(C)C)CC1 ZINC001486307844 1127112520 /nfs/dbraw/zinc/11/25/20/1127112520.db2.gz HXEMFUPTJADFQH-HNNXBMFYSA-N 2 0 342.484 -0.396 20 0 EBADRP COC[C@@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001486338642 1127140603 /nfs/dbraw/zinc/14/06/03/1127140603.db2.gz GQAXOJPDPRAPDN-GJZGRUSLSA-N 2 0 343.468 -0.627 20 0 EBADRP C[C@@H](O)CCC[N@H+](C)C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001486356947 1127150215 /nfs/dbraw/zinc/15/02/15/1127150215.db2.gz TUXACVJOIAIAGY-CABCVRRESA-N 2 0 327.469 -0.006 20 0 EBADRP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001486466829 1127180940 /nfs/dbraw/zinc/18/09/40/1127180940.db2.gz VDABFEIVHMZQPY-HTAVTVPLSA-N 2 0 325.413 -0.755 20 0 EBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)N(C)C(=O)COCC[NH+](C)C ZINC001486827197 1127265920 /nfs/dbraw/zinc/26/59/20/1127265920.db2.gz XOHUMEGAHATKGP-ZIAGYGMSSA-N 2 0 328.457 -0.378 20 0 EBADRP C[NH+](C)CCC(=O)N1CC(CCO)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001487039142 1127382176 /nfs/dbraw/zinc/38/21/76/1127382176.db2.gz JLOLCFAILYRRGK-UHFFFAOYSA-N 2 0 340.468 -0.641 20 0 EBADRP CC(C)NC(=O)C[NH2+][C@H](C)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001410150341 1127628589 /nfs/dbraw/zinc/62/85/89/1127628589.db2.gz FIDBETUQVLFXDQ-ZIAGYGMSSA-N 2 0 328.457 -0.332 20 0 EBADRP CN1CC[C@H]([NH2+][C@H](CO)CNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001410728578 1127846481 /nfs/dbraw/zinc/84/64/81/1127846481.db2.gz NYXYEMQLACXANL-KBPBESRZSA-N 2 0 326.441 -0.984 20 0 EBADRP CN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001410728582 1127846555 /nfs/dbraw/zinc/84/65/55/1127846555.db2.gz NYXYEMQLACXANL-ZIAGYGMSSA-N 2 0 326.441 -0.984 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC2CCCC2)C1 ZINC001410756803 1127865130 /nfs/dbraw/zinc/86/51/30/1127865130.db2.gz RGLYTIOZYJSDSU-UKRRQHHQSA-N 2 0 340.468 -0.546 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](CO)[NH2+]Cc1cccnc1 ZINC001410778305 1127881597 /nfs/dbraw/zinc/88/15/97/1127881597.db2.gz CONICDKFGONEEI-ZBFHGGJFSA-N 2 0 336.436 -0.383 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)NCC(=O)N(C)C1CC1 ZINC001410797268 1127899003 /nfs/dbraw/zinc/89/90/03/1127899003.db2.gz CHETXKRRTHBWIK-UKRRQHHQSA-N 2 0 340.468 -0.452 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C)C(=O)NC(N)=O ZINC001410975132 1127957603 /nfs/dbraw/zinc/95/76/03/1127957603.db2.gz HHOGYOCQJBGCOJ-GHMZBOCLSA-N 2 0 327.429 -0.652 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001411062514 1127996827 /nfs/dbraw/zinc/99/68/27/1127996827.db2.gz PAATVVARTUXKJV-KBPBESRZSA-N 2 0 326.441 -0.842 20 0 EBADRP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CCN1CCNC1=O ZINC001411106790 1128017928 /nfs/dbraw/zinc/01/79/28/1128017928.db2.gz SSUQBOCMORFFEH-ZIAGYGMSSA-N 2 0 325.457 -0.068 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001411128444 1128022808 /nfs/dbraw/zinc/02/28/08/1128022808.db2.gz PSLANUZMKOIMOV-KBPBESRZSA-N 2 0 328.457 -0.642 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001411128448 1128023164 /nfs/dbraw/zinc/02/31/64/1128023164.db2.gz PSLANUZMKOIMOV-KGLIPLIRSA-N 2 0 328.457 -0.642 20 0 EBADRP CCN1CCO[C@@H](C(=O)N(C)C[C@H](O)CNCc2ccon2)C1 ZINC001411132188 1128027571 /nfs/dbraw/zinc/02/75/71/1128027571.db2.gz XPUUETXGLNVWFF-ZIAGYGMSSA-N 2 0 326.397 -0.696 20 0 EBADRP CN(C[C@H](O)C[N@H+](C)[C@@H]1CCN(C)C1=O)C(=O)C[NH+](C)C1CCC1 ZINC001411167618 1128064404 /nfs/dbraw/zinc/06/44/04/1128064404.db2.gz JKIMKQPKWSBRTF-HUUCEWRRSA-N 2 0 340.468 -0.548 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC(n3cc(C[NH2+]C[C@H]4CCOC4)nn3)C2)C1 ZINC001093343798 1128330958 /nfs/dbraw/zinc/33/09/58/1128330958.db2.gz QWAVMDJVRUKNRH-ZIAGYGMSSA-N 2 0 348.451 -0.261 20 0 EBADRP NC(=O)C[NH2+]C1CCC2(CC1)CN(C(=O)C[NH+]1CCCC1)CCO2 ZINC001093413597 1128340006 /nfs/dbraw/zinc/34/00/06/1128340006.db2.gz ZHQGXNPHQCPHQW-UHFFFAOYSA-N 2 0 338.452 -0.303 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187834527 1128355822 /nfs/dbraw/zinc/35/58/22/1128355822.db2.gz GAXNFCUOECWRDG-CHWSQXEVSA-N 2 0 339.440 -0.493 20 0 EBADRP CN(CCOCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)[C@H]1CCC[NH+]1C ZINC001487582926 1128374675 /nfs/dbraw/zinc/37/46/75/1128374675.db2.gz LDEMPARKSQTVGR-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)CNC(=O)C[NH+]2CCCC2)C1 ZINC001488409377 1128744597 /nfs/dbraw/zinc/74/45/97/1128744597.db2.gz LEVSICRREGXEEV-GJZGRUSLSA-N 2 0 340.468 -0.641 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](O)CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001488383175 1128760286 /nfs/dbraw/zinc/76/02/86/1128760286.db2.gz QOIKTLNDVPJCTL-GJZGRUSLSA-N 2 0 342.484 -0.396 20 0 EBADRP O=C(NCc1nc(C[NH2+]CCO)cc(=O)[nH]1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001489076157 1128905777 /nfs/dbraw/zinc/90/57/77/1128905777.db2.gz HHUZWONLVIGBOQ-UONOGXRCSA-N 2 0 349.435 -0.103 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1O ZINC001489349755 1128963433 /nfs/dbraw/zinc/96/34/33/1128963433.db2.gz YAWLSOYPSGKFQZ-RBSFLKMASA-N 2 0 340.468 -0.642 20 0 EBADRP CC1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2O)CC1 ZINC001489615477 1129028525 /nfs/dbraw/zinc/02/85/25/1129028525.db2.gz FHXRYLNPLSLZIK-CABCVRRESA-N 2 0 340.468 -0.642 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001490183423 1129138066 /nfs/dbraw/zinc/13/80/66/1129138066.db2.gz NWCMWJMWTMYLHH-LSDHHAIUSA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@@H](C(=O)NCCC[N@H+](C)CC(=O)NC(N)=O)[NH+]1CCCCCC1 ZINC001490256692 1129154111 /nfs/dbraw/zinc/15/41/11/1129154111.db2.gz UEQVWMPDXJNQPY-ZDUSSCGKSA-N 2 0 341.456 -0.116 20 0 EBADRP CC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)[C@@H](C)C(=O)NC(N)=O ZINC001490355008 1129172507 /nfs/dbraw/zinc/17/25/07/1129172507.db2.gz DAUULPNLHNOPEO-LBPRGKRZSA-N 2 0 339.440 -0.506 20 0 EBADRP CO[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001414038487 1131341696 /nfs/dbraw/zinc/34/16/96/1131341696.db2.gz OPHYHIVYSFDFMW-HUUCEWRRSA-N 2 0 340.468 -0.378 20 0 EBADRP CC(C)OCC[NH+]1CCN(CCNC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001490486591 1129190096 /nfs/dbraw/zinc/19/00/96/1129190096.db2.gz FOQXHHQGXSLNQR-MRXNPFEDSA-N 2 0 342.484 -0.524 20 0 EBADRP C[C@H](F)CC[NH+]1CCN(CCNC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001490486758 1129190251 /nfs/dbraw/zinc/19/02/51/1129190251.db2.gz KMZSBECAQWXONB-GJZGRUSLSA-N 2 0 330.448 -0.201 20 0 EBADRP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001490569650 1129228151 /nfs/dbraw/zinc/22/81/51/1129228151.db2.gz GIRFRFRTUZEEFZ-AWEZNQCLSA-N 2 0 325.457 -0.066 20 0 EBADRP CC(=O)NCCOCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001490577758 1129229665 /nfs/dbraw/zinc/22/96/65/1129229665.db2.gz ZKJOITJRQNYDGN-GJZGRUSLSA-N 2 0 326.441 -0.719 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]1O ZINC001414054745 1131362557 /nfs/dbraw/zinc/36/25/57/1131362557.db2.gz QKPWALJFKJECGO-ILXRZTDVSA-N 2 0 342.484 -0.254 20 0 EBADRP C[C@H](NC(=O)CCN1CCOCC1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001411419251 1129291567 /nfs/dbraw/zinc/29/15/67/1129291567.db2.gz IMKYZPVIVUSZML-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP Cn1cncc1CCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001412809692 1129665439 /nfs/dbraw/zinc/66/54/39/1129665439.db2.gz WKXJCEDTLSWXIQ-OCCSQVGLSA-N 2 0 337.424 -0.960 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001412890540 1129760935 /nfs/dbraw/zinc/76/09/35/1129760935.db2.gz ASONLZNICALVQG-ZIAGYGMSSA-N 2 0 326.441 -0.984 20 0 EBADRP C[N@H+](CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCC[NH+]1C)CC(C)(C)C ZINC001413011781 1129856572 /nfs/dbraw/zinc/85/65/72/1129856572.db2.gz PDOXFGHJAHGSST-KBPBESRZSA-N 2 0 342.484 -0.348 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)CC[NH+](C)C)CC[N@@H+]1C ZINC001413313995 1130008441 /nfs/dbraw/zinc/00/84/41/1130008441.db2.gz KISMEOGVJYLWKI-SOUVJXGZSA-N 2 0 342.484 -0.396 20 0 EBADRP CN(C[C@H](O)CNC(=O)C12CCC[NH+]1CCC2)C(=O)CC[NH+](C)C ZINC001413333494 1130022548 /nfs/dbraw/zinc/02/25/48/1130022548.db2.gz NMEOVFGKCUGJPW-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001490888572 1130205427 /nfs/dbraw/zinc/20/54/27/1130205427.db2.gz CJXPTSBICZCOQH-JHJVBQTASA-N 2 0 337.424 -0.979 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001490903168 1130234938 /nfs/dbraw/zinc/23/49/38/1130234938.db2.gz KBEFZJMIKMUFOF-ZDEQEGDKSA-N 2 0 337.424 -0.565 20 0 EBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC001413729838 1130245569 /nfs/dbraw/zinc/24/55/69/1130245569.db2.gz UVSNWIXXKSDOOV-JKSUJKDBSA-N 2 0 341.500 -0.232 20 0 EBADRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]([NH2+]CCS(C)(=O)=O)C2)CC1 ZINC001490932444 1130267171 /nfs/dbraw/zinc/26/71/71/1130267171.db2.gz SFKABAAYQBYYLB-HDJSIYSDSA-N 2 0 331.482 0.000 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001490921826 1130268260 /nfs/dbraw/zinc/26/82/60/1130268260.db2.gz FHHASWZVKAGGRV-IJLUTSLNSA-N 2 0 339.440 -0.591 20 0 EBADRP CN1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC(C)(C)C)C2)C1 ZINC001491005372 1130285051 /nfs/dbraw/zinc/28/50/51/1130285051.db2.gz XHQXOIVBPGHHHY-MJBXVCDLSA-N 2 0 340.468 -0.284 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CC1 ZINC001491048089 1130305757 /nfs/dbraw/zinc/30/57/57/1130305757.db2.gz PTAOXGGVFUDYRD-TXEJJXNPSA-N 2 0 332.470 -0.886 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001491050910 1130306241 /nfs/dbraw/zinc/30/62/41/1130306241.db2.gz PKDDZIKRJMNCAU-UPJWGTAASA-N 2 0 341.456 -0.202 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001491141874 1130341288 /nfs/dbraw/zinc/34/12/88/1130341288.db2.gz KXKUSFWWHDWKDG-GJZGRUSLSA-N 2 0 337.468 -0.066 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001491319613 1130398377 /nfs/dbraw/zinc/39/83/77/1130398377.db2.gz UNHIRRHPKSRBCD-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[C@H](C(=O)NCCNC(=O)COC1CC[NH+](C)CC1)[NH+](C)C ZINC001491475546 1130461630 /nfs/dbraw/zinc/46/16/30/1130461630.db2.gz LBKUXQKUCPIGQB-CQSZACIVSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC(=O)NC(N)=O ZINC001491477834 1130462456 /nfs/dbraw/zinc/46/24/56/1130462456.db2.gz MORAGPRRUSCTNK-YPMHNXCESA-N 2 0 339.440 -0.317 20 0 EBADRP CNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001491493921 1130469760 /nfs/dbraw/zinc/46/97/60/1130469760.db2.gz AWMSZOVCZBFPEN-STQMWFEESA-N 2 0 328.457 -0.426 20 0 EBADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001216464398 1130523152 /nfs/dbraw/zinc/52/31/52/1130523152.db2.gz OVVXYDQJWOMEAE-CHWSQXEVSA-N 2 0 338.456 -0.223 20 0 EBADRP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CCN1CCCS1(=O)=O ZINC001492128405 1130583907 /nfs/dbraw/zinc/58/39/07/1130583907.db2.gz SMNGGXYYGDLAGH-CQSZACIVSA-N 2 0 346.497 -0.398 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCC[C@@H]1CCC[NH+]1CC(=O)NC(N)=O ZINC001492178328 1130589703 /nfs/dbraw/zinc/58/97/03/1130589703.db2.gz OECHNHKNIUVSGV-CYBMUJFWSA-N 2 0 341.456 -0.118 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@@H]1O ZINC001414066016 1130691281 /nfs/dbraw/zinc/69/12/81/1130691281.db2.gz XIDLRXKEYVZNRQ-ILXRZTDVSA-N 2 0 340.468 -0.500 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCNC(=O)C[NH+](C)C(C)C ZINC001479816548 1130738110 /nfs/dbraw/zinc/73/81/10/1130738110.db2.gz VAEUGIIYUFFDJF-LBPRGKRZSA-N 2 0 329.445 -0.391 20 0 EBADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001480530596 1130826445 /nfs/dbraw/zinc/82/64/45/1130826445.db2.gz KMCLDBUUZMKEAS-QWHCGFSZSA-N 2 0 331.482 -0.143 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001413969426 1130870075 /nfs/dbraw/zinc/87/00/75/1130870075.db2.gz CJZNDKHOUXTGEY-HUUCEWRRSA-N 2 0 340.468 -0.498 20 0 EBADRP O=C(NCCCCCN1CC[NH2+]CC1)NC[C@H]1C[NH2+]CCCO1 ZINC001357515178 1131098104 /nfs/dbraw/zinc/09/81/04/1131098104.db2.gz MLOACCVWJAVAHA-OAHLLOKOSA-N 2 0 327.473 -0.260 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001413977821 1131188012 /nfs/dbraw/zinc/18/80/12/1131188012.db2.gz OUMPDWPBPKJHJP-RBSFLKMASA-N 2 0 340.468 -0.642 20 0 EBADRP C[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC001361611207 1131428054 /nfs/dbraw/zinc/42/80/54/1131428054.db2.gz RTECBGZBXWNJJS-ZIAGYGMSSA-N 2 0 326.441 -0.936 20 0 EBADRP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NC[C@@H]2C[NH+](C)CCN2C)cn1 ZINC001361963682 1131489555 /nfs/dbraw/zinc/48/95/55/1131489555.db2.gz VBFQYHOUJWSXTP-IXDOHACOSA-N 2 0 348.495 -0.183 20 0 EBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001365556119 1132719296 /nfs/dbraw/zinc/71/92/96/1132719296.db2.gz TUEBBBILBXVIEU-JKSUJKDBSA-N 2 0 341.500 -0.232 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001365814558 1132815620 /nfs/dbraw/zinc/81/56/20/1132815620.db2.gz CHATVZFZEXFRQZ-XQQFMLRXSA-N 2 0 339.440 -0.589 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001366089666 1132996850 /nfs/dbraw/zinc/99/68/50/1132996850.db2.gz JPZMPHGQLDRXCR-NWDGAFQWSA-N 2 0 325.413 -0.883 20 0 EBADRP Cc1cc(NC(=O)C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)n(C)n1 ZINC001366111449 1133011209 /nfs/dbraw/zinc/01/12/09/1133011209.db2.gz QREVAHNFEGVJLL-MGPQQGTHSA-N 2 0 348.451 -0.002 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001366156767 1133031002 /nfs/dbraw/zinc/03/10/02/1133031002.db2.gz VPANJASGXMALGS-APIJFGDWSA-N 2 0 338.452 -0.530 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1)C(=O)NC(N)=O ZINC001366159217 1133032016 /nfs/dbraw/zinc/03/20/16/1133032016.db2.gz ZRVCSLAJECOUNA-SDDRHHMPSA-N 2 0 337.424 -0.565 20 0 EBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001366167497 1133036618 /nfs/dbraw/zinc/03/66/18/1133036618.db2.gz XDWQJSDCSSJVMA-XQLPTFJDSA-N 2 0 329.441 -0.801 20 0 EBADRP C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C)C(=O)NC(N)=O ZINC001366221736 1133062805 /nfs/dbraw/zinc/06/28/05/1133062805.db2.gz ZKSUUWMPBYPFGT-NWDGAFQWSA-N 2 0 327.429 -0.508 20 0 EBADRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001366289610 1133086399 /nfs/dbraw/zinc/08/63/99/1133086399.db2.gz SLSJALXIWKLBJO-KGLIPLIRSA-N 2 0 340.468 -0.188 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CCN2CCNC2=O)CC[N@@H+]1C ZINC001366299310 1133090005 /nfs/dbraw/zinc/09/00/05/1133090005.db2.gz ZLKLFRNWWMPZLI-HZSPNIEDSA-N 2 0 325.457 -0.164 20 0 EBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC1CCOCC1 ZINC001366312798 1133095310 /nfs/dbraw/zinc/09/53/10/1133095310.db2.gz SOGRLPQPYVNTCA-TZMCWYRMSA-N 2 0 326.441 -0.530 20 0 EBADRP C[C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CC(=O)NC(N)=O ZINC001366336601 1133103372 /nfs/dbraw/zinc/10/33/72/1133103372.db2.gz OHZVQJHNJCAYJG-MEBBXXQBSA-N 2 0 345.419 -0.512 20 0 EBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)C(=O)NC(N)=O ZINC001366383409 1133122125 /nfs/dbraw/zinc/12/21/25/1133122125.db2.gz XMJRFJGKOUWFFW-RYUDHWBXSA-N 2 0 337.424 -0.611 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001366419842 1133139527 /nfs/dbraw/zinc/13/95/27/1133139527.db2.gz AELKCXAZWWATEO-STQMWFEESA-N 2 0 339.440 -0.445 20 0 EBADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001366703990 1133263416 /nfs/dbraw/zinc/26/34/16/1133263416.db2.gz DITOPHYYTMJMCX-ZFWWWQNUSA-N 2 0 340.468 -0.201 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001366873485 1133333439 /nfs/dbraw/zinc/33/34/39/1133333439.db2.gz RDOADLOHRGOCGK-NWDGAFQWSA-N 2 0 327.429 -0.698 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001367009750 1133422259 /nfs/dbraw/zinc/42/22/59/1133422259.db2.gz WLQGZWWMIBGPSP-GJZGRUSLSA-N 2 0 343.468 -0.457 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001367255646 1133516730 /nfs/dbraw/zinc/51/67/30/1133516730.db2.gz CNIHESWDPWYOCW-CHWSQXEVSA-N 2 0 338.456 -0.175 20 0 EBADRP CC(C)[C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)[NH2+]CC(=O)N(C)C ZINC001367496214 1133602553 /nfs/dbraw/zinc/60/25/53/1133602553.db2.gz WYNNKXWFUGZYTJ-CABCVRRESA-N 2 0 342.484 -0.227 20 0 EBADRP CCN(C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001367576524 1133643702 /nfs/dbraw/zinc/64/37/02/1133643702.db2.gz HLBSJIHHJIHWPQ-UONOGXRCSA-N 2 0 326.441 -0.842 20 0 EBADRP COc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)on1 ZINC001367585419 1133654638 /nfs/dbraw/zinc/65/46/38/1133654638.db2.gz FYNPDSFZUOHYDJ-GXTWGEPZSA-N 2 0 338.408 -0.408 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cnnn1C ZINC001367599597 1133676308 /nfs/dbraw/zinc/67/63/08/1133676308.db2.gz OKDMBJCNSBLKRC-CABCVRRESA-N 2 0 338.456 -0.498 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC2CC2)CC[N@@H+]1C ZINC001367601002 1133677661 /nfs/dbraw/zinc/67/76/61/1133677661.db2.gz MDCWKYBVUQIGDQ-QEJZJMRPSA-N 2 0 340.468 -0.690 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001367601262 1133677734 /nfs/dbraw/zinc/67/77/34/1133677734.db2.gz MHJKPLLALSQAPW-AWEZNQCLSA-N 2 0 328.457 -0.738 20 0 EBADRP C[C@H]([NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)C(=O)N1CCCCCC1 ZINC001367602834 1133680050 /nfs/dbraw/zinc/68/00/50/1133680050.db2.gz PULWWBJMHMDSEI-LSDHHAIUSA-N 2 0 342.484 -0.204 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCCCCC1 ZINC001367607280 1133686999 /nfs/dbraw/zinc/68/69/99/1133686999.db2.gz XQSMGVVFHWMCOW-CQSZACIVSA-N 2 0 328.457 -0.593 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCCCC2)C1 ZINC001367614441 1133695381 /nfs/dbraw/zinc/69/53/81/1133695381.db2.gz AJMKPJWXLBRBNH-HUUCEWRRSA-N 2 0 340.468 -0.593 20 0 EBADRP O=C(CCC[NH+]1CCCCC1)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001367624744 1133711671 /nfs/dbraw/zinc/71/16/71/1133711671.db2.gz BYWSSBDZBKUEAY-ZIAGYGMSSA-N 2 0 326.441 -0.792 20 0 EBADRP CCN(CC[NH2+][C@@H](C)C(=O)NC(=O)NC)C(=O)C[N@H+](C)C1CCC1 ZINC001367648938 1133729075 /nfs/dbraw/zinc/72/90/75/1133729075.db2.gz VLIMEUBRGXIYQP-LBPRGKRZSA-N 2 0 341.456 -0.247 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001367675476 1133741437 /nfs/dbraw/zinc/74/14/37/1133741437.db2.gz LVGODFARLMMAPZ-LLVKDONJSA-N 2 0 327.429 -0.460 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001367689501 1133748035 /nfs/dbraw/zinc/74/80/35/1133748035.db2.gz NWXJSBRLKVUDNH-ZYHUDNBSSA-N 2 0 325.413 -0.837 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367771068 1133778011 /nfs/dbraw/zinc/77/80/11/1133778011.db2.gz IFUIRHKISBRAPH-WDEREUQCSA-N 2 0 325.413 -0.979 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001367998582 1133886499 /nfs/dbraw/zinc/88/64/99/1133886499.db2.gz UXPSXTKEMIDDLN-NWDGAFQWSA-N 2 0 339.440 -0.319 20 0 EBADRP O=C(NCC1([NH2+]C[C@H](O)Cn2cccn2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001368004180 1133890099 /nfs/dbraw/zinc/89/00/99/1133890099.db2.gz VZMHSUUVYSEKRE-JKSUJKDBSA-N 2 0 347.463 -0.176 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC2([NH2+]CC(=O)Nc3cnccn3)CC2)CC1 ZINC001368013633 1133895714 /nfs/dbraw/zinc/89/57/14/1133895714.db2.gz DGIUTKBDTFHDJH-UHFFFAOYSA-N 2 0 346.435 -0.005 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001368041850 1133909696 /nfs/dbraw/zinc/90/96/96/1133909696.db2.gz LGTLLTRIMILPEE-LLVKDONJSA-N 2 0 327.429 -0.591 20 0 EBADRP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1)C(=O)NC(N)=O ZINC001368105053 1133940090 /nfs/dbraw/zinc/94/00/90/1133940090.db2.gz CWKYQKSFWDTSNL-AAEUAGOBSA-N 2 0 339.440 -0.508 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001368109186 1133942118 /nfs/dbraw/zinc/94/21/18/1133942118.db2.gz LDBAHPFJSWGJOO-ZDUSSCGKSA-N 2 0 341.456 -0.246 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001368109749 1133942499 /nfs/dbraw/zinc/94/24/99/1133942499.db2.gz SQNGIOASCPPERQ-OLZOCXBDSA-N 2 0 339.440 -0.493 20 0 EBADRP CC[C@H](C(=O)NC[C@@H]1CC2(CO1)CC[NH+](CC(N)=O)CC2)[NH+](C)C ZINC001368125661 1133950041 /nfs/dbraw/zinc/95/00/41/1133950041.db2.gz CMHNAUJURAKDCE-UONOGXRCSA-N 2 0 340.468 -0.201 20 0 EBADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@](C)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001368178127 1133980273 /nfs/dbraw/zinc/98/02/73/1133980273.db2.gz NLRLDAZCVYYFRZ-WMLDXEAASA-N 2 0 340.468 -0.058 20 0 EBADRP CN1CCC[C@@H]([N@@H+]2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001368254037 1134036300 /nfs/dbraw/zinc/03/63/00/1134036300.db2.gz AGBDEVZDYMHHNA-CZUORRHYSA-N 2 0 326.441 -0.888 20 0 EBADRP C[NH+](C)CC1(C(=O)NC[C@]2(O)CC[N@H+](CCn3cccn3)C2)CC1 ZINC001368267514 1134068302 /nfs/dbraw/zinc/06/83/02/1134068302.db2.gz WINPPONWAQYOEZ-QGZVFWFLSA-N 2 0 335.452 -0.222 20 0 EBADRP NC(=O)CN1CC[C@](O)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001368273930 1134082102 /nfs/dbraw/zinc/08/21/02/1134082102.db2.gz FKTAZCJMGBTTLY-INIZCTEOSA-N 2 0 326.441 -0.709 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@@]1(O)CC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC001368280715 1134095234 /nfs/dbraw/zinc/09/52/34/1134095234.db2.gz BVGPEGXUNXCRAQ-YOEHRIQHSA-N 2 0 348.451 -0.586 20 0 EBADRP CNC(=O)NC(=O)C[N@H+]1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001368356577 1134161971 /nfs/dbraw/zinc/16/19/71/1134161971.db2.gz UPSRZQSFYMXBJI-BETUJISGSA-N 2 0 339.440 -0.826 20 0 EBADRP COC[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001368358643 1134163489 /nfs/dbraw/zinc/16/34/89/1134163489.db2.gz VQSBSVKRPKLJMH-VVLHAWIVSA-N 2 0 337.464 -0.274 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCC[C@@](CO)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001368374420 1134179646 /nfs/dbraw/zinc/17/96/46/1134179646.db2.gz KGRHMRYHOWLHAM-DOTOQJQBSA-N 2 0 343.468 -0.721 20 0 EBADRP C[C@@H]([NH2+]CCN(CCO)C(=O)C1([NH+](C)C)CCC1)C(=O)N(C)C ZINC001368397677 1134200911 /nfs/dbraw/zinc/20/09/11/1134200911.db2.gz NTWMLQFBJVDFKC-CYBMUJFWSA-N 2 0 328.457 -0.642 20 0 EBADRP CC(C)[C@H](C(=O)N(CCO)CC[NH2+][C@H]1CCCN(C)C1=O)[NH+](C)C ZINC001368409809 1134211279 /nfs/dbraw/zinc/21/12/79/1134211279.db2.gz LVZLJSURTGJJAA-LSDHHAIUSA-N 2 0 342.484 -0.396 20 0 EBADRP CC[C@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001368517980 1134269840 /nfs/dbraw/zinc/26/98/40/1134269840.db2.gz SCEFALONVDXECE-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001368521579 1134272899 /nfs/dbraw/zinc/27/28/99/1134272899.db2.gz VMFAJLGPBQMTEP-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001368526161 1134274989 /nfs/dbraw/zinc/27/49/89/1134274989.db2.gz LKQHEFRIVJXYJU-CHWSQXEVSA-N 2 0 341.456 -0.295 20 0 EBADRP CCN(C)C(=O)C[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001368610418 1134321576 /nfs/dbraw/zinc/32/15/76/1134321576.db2.gz FDWMUFLXPQQMJA-RHSMWYFYSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@](CO)([NH2+]CC(=O)NC)C1 ZINC001368623512 1134335573 /nfs/dbraw/zinc/33/55/73/1134335573.db2.gz BSEGWVWXUKDBAH-PBHICJAKSA-N 2 0 340.468 -0.450 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@](CO)([NH2+]C[C@H](O)COC)C1)[NH+](C)C ZINC001368625709 1134337511 /nfs/dbraw/zinc/33/75/11/1134337511.db2.gz ORKFMYMMQLPHDL-LZWOXQAQSA-N 2 0 331.457 -0.723 20 0 EBADRP CC[C@H]([NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCOCC1)C(N)=O ZINC001368631849 1134344933 /nfs/dbraw/zinc/34/49/33/1134344933.db2.gz UOGYWCCPHWOCQN-QWHCGFSZSA-N 2 0 326.441 -0.401 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@](CO)([NH2+]CCn3cccn3)C2)C1 ZINC001368632975 1134346244 /nfs/dbraw/zinc/34/62/44/1134346244.db2.gz WRWKNKNSHHWXMF-RDJZCZTQSA-N 2 0 335.452 -0.222 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N1CCN(C2C[NH+](C[C@H](C)O)C2)CC1 ZINC001368674967 1134371743 /nfs/dbraw/zinc/37/17/43/1134371743.db2.gz XQDNBTPCCYLKQO-HOCLYGCPSA-N 2 0 344.475 -0.125 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC(O)(C[NH2+]Cc2cn(C)nn2)CC1 ZINC001368687859 1134388625 /nfs/dbraw/zinc/38/86/25/1134388625.db2.gz OTMCRAIIOLZUSM-UHFFFAOYSA-N 2 0 338.456 -0.402 20 0 EBADRP CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC)[NH+](C)C ZINC001368738478 1134414914 /nfs/dbraw/zinc/41/49/14/1134414914.db2.gz YKJQNGJXJVQMOR-SRVKXCTJSA-N 2 0 329.445 -0.345 20 0 EBADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H](C)[NH2+]CC(=O)Nc1cnccn1 ZINC001368909757 1134481607 /nfs/dbraw/zinc/48/16/07/1134481607.db2.gz WDBLYHQXVPDLNX-CHWSQXEVSA-N 2 0 346.435 -0.006 20 0 EBADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]CC(=O)Nc1cnccn1 ZINC001368909776 1134481651 /nfs/dbraw/zinc/48/16/51/1134481651.db2.gz WDBLYHQXVPDLNX-STQMWFEESA-N 2 0 346.435 -0.006 20 0 EBADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]CC(=O)Nc1cnccn1 ZINC001368909772 1134481714 /nfs/dbraw/zinc/48/17/14/1134481714.db2.gz WDBLYHQXVPDLNX-QWHCGFSZSA-N 2 0 346.435 -0.006 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001369184258 1134609531 /nfs/dbraw/zinc/60/95/31/1134609531.db2.gz DLFJNESDGUXYOW-LBPRGKRZSA-N 2 0 339.440 -0.412 20 0 EBADRP C[C@@H]([NH2+][C@@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2)C(=O)N(C)C ZINC001369330018 1134672468 /nfs/dbraw/zinc/67/24/68/1134672468.db2.gz MWKSJIUIFGZHIS-ZIAGYGMSSA-N 2 0 340.468 -0.594 20 0 EBADRP C[C@H]1[C@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC001369390570 1134751439 /nfs/dbraw/zinc/75/14/39/1134751439.db2.gz LPHYQVYNXNXUHS-DZGCQCFKSA-N 2 0 340.468 -0.236 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001369409198 1134765836 /nfs/dbraw/zinc/76/58/36/1134765836.db2.gz XEPMTAONTOHEBL-NEPJUHHUSA-N 2 0 339.440 -0.495 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(=O)NC(=O)NC)C[C@@H]1C ZINC001369409328 1134766295 /nfs/dbraw/zinc/76/62/95/1134766295.db2.gz VZEDUPYFTAIQNF-RYUDHWBXSA-N 2 0 327.429 -0.637 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)C(C)(C)C1)[NH+](C)C ZINC001369434547 1134777386 /nfs/dbraw/zinc/77/73/86/1134777386.db2.gz HOSBSFAFAPPJDA-GHMZBOCLSA-N 2 0 327.429 -0.652 20 0 EBADRP COc1cncc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001369447863 1134785787 /nfs/dbraw/zinc/78/57/87/1134785787.db2.gz DNNXQXUQFARTJN-KBPBESRZSA-N 2 0 337.424 -0.512 20 0 EBADRP C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1)C(=O)N(C)C ZINC001369475782 1134835069 /nfs/dbraw/zinc/83/50/69/1134835069.db2.gz SPPUESOSIKVOTE-STQMWFEESA-N 2 0 328.457 -0.644 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001369476310 1134836374 /nfs/dbraw/zinc/83/63/74/1134836374.db2.gz ZJCDOJXZWDSQNE-HNNXBMFYSA-N 2 0 342.484 -0.348 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CC(=O)N1CCCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001369479562 1134844638 /nfs/dbraw/zinc/84/46/38/1134844638.db2.gz CCQKTPUPRBVKJI-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP CN(C[C@@H](O)C[NH2+]Cc1cncn1C)C(=O)C12CCC[NH+]1CCC2 ZINC001369480870 1134845248 /nfs/dbraw/zinc/84/52/48/1134845248.db2.gz YWUFEOHHHSAQIC-HNNXBMFYSA-N 2 0 335.452 -0.043 20 0 EBADRP CN(C[C@@H](O)C[NH2+]Cc1cc2n(n1)CCC2)C(=O)C[NH+]1CCCC1 ZINC001369483417 1134851677 /nfs/dbraw/zinc/85/16/77/1134851677.db2.gz MFINAVQIPZVRIE-INIZCTEOSA-N 2 0 335.452 -0.166 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001369852495 1135049049 /nfs/dbraw/zinc/04/90/49/1135049049.db2.gz JBYAJIXVNMHJQI-CABCVRRESA-N 2 0 343.468 -0.315 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC(=O)Nc1cnccn1)C1CC1 ZINC001370151342 1135226337 /nfs/dbraw/zinc/22/63/37/1135226337.db2.gz QOXNWTUXNBOIFH-UONOGXRCSA-N 2 0 346.435 -0.006 20 0 EBADRP NC(=O)C[NH2+][C@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001370199670 1135246527 /nfs/dbraw/zinc/24/65/27/1135246527.db2.gz XFYABHHAYLIAHY-CQSZACIVSA-N 2 0 328.376 -0.149 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]([NH2+]CC(=O)NC(N)=O)C2CC2)C1 ZINC001370257324 1135272276 /nfs/dbraw/zinc/27/22/76/1135272276.db2.gz QJNSRPOARDRIKQ-ZYHUDNBSSA-N 2 0 325.413 -0.993 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)Nc2nncs2)C1 ZINC001370448580 1135354543 /nfs/dbraw/zinc/35/45/43/1135354543.db2.gz QRRFZRWELXECCP-DCAQKATOSA-N 2 0 338.437 -0.192 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1)C(=O)NC(N)=O ZINC001370485120 1135370437 /nfs/dbraw/zinc/37/04/37/1135370437.db2.gz QHJNLIAVGSZYNB-CYDGBPFRSA-N 2 0 339.440 -0.319 20 0 EBADRP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCCNC3=O)C2)CC1 ZINC001370539979 1135399829 /nfs/dbraw/zinc/39/98/29/1135399829.db2.gz GIDIKOOPNAQDNY-YDHLFZDLSA-N 2 0 338.452 -0.387 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1)[NH+](C)C ZINC001370545023 1135402634 /nfs/dbraw/zinc/40/26/34/1135402634.db2.gz DJNJOWQAMFNUFG-BJDJZHNGSA-N 2 0 327.429 -0.607 20 0 EBADRP C[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCNS(C)(=O)=O ZINC001370579859 1135417175 /nfs/dbraw/zinc/41/71/75/1135417175.db2.gz AMBCBBYYPXGHIL-AGUYFDCRSA-N 2 0 346.497 -0.401 20 0 EBADRP CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)COC3CC[NH+](C)CC3)C2)C1=O ZINC001370702181 1135518902 /nfs/dbraw/zinc/51/89/02/1135518902.db2.gz BBZFCLVTRZDHLJ-VNHYZAJKSA-N 2 0 338.452 -0.435 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC001370715755 1135538773 /nfs/dbraw/zinc/53/87/73/1135538773.db2.gz FARUYVLWTQUNHI-MGPQQGTHSA-N 2 0 338.452 -0.984 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001370790030 1135634295 /nfs/dbraw/zinc/63/42/95/1135634295.db2.gz OFRRCHADZXCFKS-NWDGAFQWSA-N 2 0 337.424 -0.625 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](CO)NC(=O)C[NH+]2CCCC2)C1 ZINC001370800998 1135643645 /nfs/dbraw/zinc/64/36/45/1135643645.db2.gz FYOSXEKNQLITIE-ZIAGYGMSSA-N 2 0 326.441 -0.983 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](CO)NC(=O)C[NH+]2CCCC2)C1 ZINC001370800993 1135643847 /nfs/dbraw/zinc/64/38/47/1135643847.db2.gz FYOSXEKNQLITIE-KBPBESRZSA-N 2 0 326.441 -0.983 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001371198770 1135862574 /nfs/dbraw/zinc/86/25/74/1135862574.db2.gz BCUQRJCQGRSMOQ-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001371197789 1135862684 /nfs/dbraw/zinc/86/26/84/1135862684.db2.gz CCIZPARZSVEWHT-STQMWFEESA-N 2 0 331.482 0.000 20 0 EBADRP CC[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC1CCOCC1)[NH+](C)C ZINC001371263577 1135874671 /nfs/dbraw/zinc/87/46/71/1135874671.db2.gz ZRTMKERYJYMAPX-GXTWGEPZSA-N 2 0 328.457 -0.284 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1O ZINC001371456433 1135918306 /nfs/dbraw/zinc/91/83/06/1135918306.db2.gz YATDYEUGIUPBBY-ZIAGYGMSSA-N 2 0 342.484 -0.254 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1)C(=O)NC(N)=O ZINC001371510221 1135940678 /nfs/dbraw/zinc/94/06/78/1135940678.db2.gz LBNHXJUDMUGXOP-MNOVXSKESA-N 2 0 325.413 -0.755 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001371511231 1135941548 /nfs/dbraw/zinc/94/15/48/1135941548.db2.gz YFNYRPPKSYOXFH-NSHDSACASA-N 2 0 325.413 -0.883 20 0 EBADRP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001371554200 1135969127 /nfs/dbraw/zinc/96/91/27/1135969127.db2.gz CQXJXASMOLTHBC-KBUPBQIOSA-N 2 0 340.468 -0.380 20 0 EBADRP C[C@H](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001371768506 1136017078 /nfs/dbraw/zinc/01/70/78/1136017078.db2.gz GFGWRRWZCALZDG-OLZOCXBDSA-N 2 0 338.456 -0.033 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001371835848 1136030121 /nfs/dbraw/zinc/03/01/21/1136030121.db2.gz DHYFFDGZJZLFEW-GJZGRUSLSA-N 2 0 342.484 -0.254 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1O ZINC001371850968 1136037114 /nfs/dbraw/zinc/03/71/14/1136037114.db2.gz SVRBABNJHNFDBU-GJZGRUSLSA-N 2 0 340.468 -0.642 20 0 EBADRP C[C@@H](CCNC(=O)COC1CC[NH+](C)CC1)[NH2+][C@@H]1CCCNC1=O ZINC001371862638 1136043946 /nfs/dbraw/zinc/04/39/46/1136043946.db2.gz NHBWXHGPHMMHSD-DZGCQCFKSA-N 2 0 340.468 -0.140 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+](CC(=O)NC(=O)NC)C1 ZINC001372666941 1136263392 /nfs/dbraw/zinc/26/33/92/1136263392.db2.gz JSTKPQSQCIVODQ-LBPRGKRZSA-N 2 0 327.429 -0.778 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001372935507 1136330815 /nfs/dbraw/zinc/33/08/15/1136330815.db2.gz JWFMPFFFUWAYIC-GFCCVEGCSA-N 2 0 339.440 -0.493 20 0 EBADRP CN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001372983919 1136346254 /nfs/dbraw/zinc/34/62/54/1136346254.db2.gz OWQDTSRPVDOIRS-AWEZNQCLSA-N 2 0 336.440 -0.663 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC([C@H](C)[NH2+]CC(=O)NC(N)=O)CC1 ZINC001373033983 1136358052 /nfs/dbraw/zinc/35/80/52/1136358052.db2.gz OYVCXXUBERJIIG-LBPRGKRZSA-N 2 0 341.456 -0.262 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001373459278 1136463455 /nfs/dbraw/zinc/46/34/55/1136463455.db2.gz MWHQGGRZGCQQEG-GJZGRUSLSA-N 2 0 340.468 -0.519 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001373921528 1136587176 /nfs/dbraw/zinc/58/71/76/1136587176.db2.gz RZOZXNTYQYATIX-HAQNSBGRSA-N 2 0 327.429 -0.589 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001373973394 1136596731 /nfs/dbraw/zinc/59/67/31/1136596731.db2.gz IJDJXIVVABWSRZ-CYBMUJFWSA-N 2 0 339.440 -0.492 20 0 EBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001374111716 1136624313 /nfs/dbraw/zinc/62/43/13/1136624313.db2.gz ZDWYIARIKYHANG-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H](C[NH2+]CC(=O)N1CCOCC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001374247746 1136657685 /nfs/dbraw/zinc/65/76/85/1136657685.db2.gz UGQHNDSFJBFBMU-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001374350322 1136677452 /nfs/dbraw/zinc/67/74/52/1136677452.db2.gz BGHFUQPAHHOGAW-ZDUSSCGKSA-N 2 0 341.456 -0.356 20 0 EBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001374381143 1136680640 /nfs/dbraw/zinc/68/06/40/1136680640.db2.gz GAUSJJNAQHTKBL-OLZOCXBDSA-N 2 0 338.456 -0.223 20 0 EBADRP CC(C)[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC(=O)NC(N)=O ZINC001374432674 1136687166 /nfs/dbraw/zinc/68/71/66/1136687166.db2.gz WTXOLNGQBSPWSA-GFCCVEGCSA-N 2 0 327.429 -0.747 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001374444488 1136689068 /nfs/dbraw/zinc/68/90/68/1136689068.db2.gz QWULFMMOEJDBML-GFCCVEGCSA-N 2 0 339.440 -0.732 20 0 EBADRP COc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)sn1 ZINC001374589590 1136732067 /nfs/dbraw/zinc/73/20/67/1136732067.db2.gz INJNXPADKBZCHX-CMPLNLGQSA-N 2 0 328.438 -0.187 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001374614074 1136747633 /nfs/dbraw/zinc/74/76/33/1136747633.db2.gz GHLXYMHVTOCQQG-GJZGRUSLSA-N 2 0 340.468 -0.452 20 0 EBADRP CCN(CC)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001374616162 1136750104 /nfs/dbraw/zinc/75/01/04/1136750104.db2.gz DKKCRGACGGTEPG-KGLIPLIRSA-N 2 0 328.457 -0.594 20 0 EBADRP Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1=O ZINC001374617453 1136751544 /nfs/dbraw/zinc/75/15/44/1136751544.db2.gz LLLSNKWZDDNOMK-CABCVRRESA-N 2 0 336.436 -0.564 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCCC2)C1 ZINC001374649976 1136774946 /nfs/dbraw/zinc/77/49/46/1136774946.db2.gz FABNXDNPYJVYRG-ZIAGYGMSSA-N 2 0 326.441 -0.983 20 0 EBADRP C[NH+]1CCC(OCC(=O)NC[C@H](O)C[NH2+]Cc2ccns2)CC1 ZINC001374655533 1136778758 /nfs/dbraw/zinc/77/87/58/1136778758.db2.gz DLTUUKQDQXWQMZ-GFCCVEGCSA-N 2 0 342.465 -0.179 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CCCC2)C1 ZINC001374670922 1136789767 /nfs/dbraw/zinc/78/97/67/1136789767.db2.gz NFQMJONUXDMNSR-DZGCQCFKSA-N 2 0 340.468 -0.546 20 0 EBADRP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H](C)C[NH+]2CCOCC2)on1 ZINC001374683764 1136799923 /nfs/dbraw/zinc/79/99/23/1136799923.db2.gz KAOSKMHFAFSGJG-OCCSQVGLSA-N 2 0 340.424 -0.482 20 0 EBADRP CCN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001374721539 1136813986 /nfs/dbraw/zinc/81/39/86/1136813986.db2.gz DINCUVOXVWDHCH-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP CCN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001374721538 1136814293 /nfs/dbraw/zinc/81/42/93/1136814293.db2.gz DINCUVOXVWDHCH-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP CCN(CC[NH2+][C@@H](C)C(=O)NC(N)=O)C(=O)C[NH+]1CCC(C)CC1 ZINC001374726118 1136815116 /nfs/dbraw/zinc/81/51/16/1136815116.db2.gz SLNJNNNLNYBGPI-ZDUSSCGKSA-N 2 0 341.456 -0.260 20 0 EBADRP C[C@H](COCC(=O)N1CC(NC(=O)CC[NH+](C)C)C1)[NH+]1CCCC1 ZINC001374760158 1136824470 /nfs/dbraw/zinc/82/44/70/1136824470.db2.gz LVYVKYKAUDOFSF-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001374771676 1136828655 /nfs/dbraw/zinc/82/86/55/1136828655.db2.gz PWNKFIWCNNPZPH-GHMZBOCLSA-N 2 0 327.429 -0.591 20 0 EBADRP C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001374776550 1136830163 /nfs/dbraw/zinc/83/01/63/1136830163.db2.gz LLCGPBQUNITWMI-GFCCVEGCSA-N 2 0 336.440 -0.421 20 0 EBADRP CC[C@H]([NH2+]C[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1)C(N)=O ZINC001374906383 1136870847 /nfs/dbraw/zinc/87/08/47/1136870847.db2.gz ZARWVAXUDPWXEE-STQMWFEESA-N 2 0 328.457 -0.297 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)NC[C@H]1CCCO1)NC(=O)C1CC[NH+](C)CC1 ZINC001374929427 1136877794 /nfs/dbraw/zinc/87/77/94/1136877794.db2.gz CMFRHQOGRHADLD-DZGCQCFKSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C[NH2+]1 ZINC000643581092 375912716 /nfs/dbraw/zinc/91/27/16/375912716.db2.gz MQRZVEISZCEFAD-KGLIPLIRSA-N 2 0 331.420 -0.061 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC000625285599 376042391 /nfs/dbraw/zinc/04/23/91/376042391.db2.gz DKQAYATVFQEVSU-CQSZACIVSA-N 2 0 338.456 -0.120 20 0 EBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000642733342 376057744 /nfs/dbraw/zinc/05/77/44/376057744.db2.gz FUWGBTPNKZWVIS-HZSPNIEDSA-N 2 0 326.441 -0.448 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642744615 376067749 /nfs/dbraw/zinc/06/77/49/376067749.db2.gz ZZZKCMQLUNEOMM-ZIAGYGMSSA-N 2 0 326.441 -0.719 20 0 EBADRP CC[NH+](C)C[C@@H](O)CN1CCN(C[C@@H](O)C[N@@H+](C)CC)C[C@@H]1C ZINC000568165372 376129832 /nfs/dbraw/zinc/12/98/32/376129832.db2.gz MDCWJKNAQRFMKS-YESZJQIVSA-N 2 0 330.517 -0.382 20 0 EBADRP CN1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)[C@H](C[NH3+])C1 ZINC000557248430 376167777 /nfs/dbraw/zinc/16/77/77/376167777.db2.gz MRFKQOWGQMAYRV-CQSZACIVSA-N 2 0 339.484 -0.532 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000642792332 376179978 /nfs/dbraw/zinc/17/99/78/376179978.db2.gz QUWWQUYULZTNGZ-CQSZACIVSA-N 2 0 328.457 -0.473 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCNC(=O)CC2CCCC2)CC1 ZINC000569351085 376407998 /nfs/dbraw/zinc/40/79/98/376407998.db2.gz MTUFVSPISXIMRN-INIZCTEOSA-N 2 0 326.485 -0.119 20 0 EBADRP CC(C)[NH+](CCNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)C(C)C ZINC000642855571 376429536 /nfs/dbraw/zinc/42/95/36/376429536.db2.gz XGWYRWGXKFLLIP-UONOGXRCSA-N 2 0 328.457 -0.204 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)C[NH+]1CCCC1 ZINC000642886782 376450913 /nfs/dbraw/zinc/45/09/13/376450913.db2.gz DTEKAOLLDSHLNW-HZSPNIEDSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)C[NH+]1CCCC1 ZINC000642886784 376452305 /nfs/dbraw/zinc/45/23/05/376452305.db2.gz DTEKAOLLDSHLNW-MCIONIFRSA-N 2 0 326.441 -0.591 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H]2C[C@@H](C(N)=O)C2)C1 ZINC000626036626 376669861 /nfs/dbraw/zinc/66/98/61/376669861.db2.gz JHHSMFPWNHRXGS-QLFBSQMISA-N 2 0 340.468 -0.345 20 0 EBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCC[NH2+]C3CC3)CC2)C1 ZINC000642917936 376749725 /nfs/dbraw/zinc/74/97/25/376749725.db2.gz ICONDINHDNKWCJ-OAHLLOKOSA-N 2 0 337.468 -0.907 20 0 EBADRP O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000642929571 376790596 /nfs/dbraw/zinc/79/05/96/376790596.db2.gz DFSSBWBQHXTYOY-AWEZNQCLSA-N 2 0 331.420 -0.012 20 0 EBADRP CC[N@H+](C)CCNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000363496297 376818937 /nfs/dbraw/zinc/81/89/37/376818937.db2.gz MPXYMELPAMGYFX-CQSZACIVSA-N 2 0 326.441 -0.765 20 0 EBADRP CN1CCN(C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H](C[NH3+])C1 ZINC000561234629 376818993 /nfs/dbraw/zinc/81/89/93/376818993.db2.gz QLZATFJNXXWZHM-KGLIPLIRSA-N 2 0 341.500 -0.430 20 0 EBADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000561256854 376823997 /nfs/dbraw/zinc/82/39/97/376823997.db2.gz VMEKWPIXROOJRZ-UHFFFAOYSA-N 2 0 340.374 -0.057 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000561203823 376816026 /nfs/dbraw/zinc/81/60/26/376816026.db2.gz QRQVSKBQJIGNRV-AWEZNQCLSA-N 2 0 341.456 -0.830 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000561223775 376816598 /nfs/dbraw/zinc/81/65/98/376816598.db2.gz FBBKXKIEEJFIJD-CYBMUJFWSA-N 2 0 335.408 -0.090 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000566508564 376854836 /nfs/dbraw/zinc/85/48/36/376854836.db2.gz VWDLQWJWFYIGKB-CYBMUJFWSA-N 2 0 325.457 -0.020 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000564716586 376863338 /nfs/dbraw/zinc/86/33/38/376863338.db2.gz GZXFZCGWZSXRQG-RBSFLKMASA-N 2 0 337.468 -0.162 20 0 EBADRP C[C@H](C(=O)NCC1(CNC(=O)[C@@H](C)[NH+](C)C)CCOCC1)[NH+](C)C ZINC000635929838 377137980 /nfs/dbraw/zinc/13/79/80/377137980.db2.gz NLOAWHPZIGNSIX-ZIAGYGMSSA-N 2 0 342.484 -0.084 20 0 EBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCc3ccc4c[nH+]cn4c3)CCN2C1=O ZINC000570409696 377244758 /nfs/dbraw/zinc/24/47/58/377244758.db2.gz BBPUFCLYYXLVJY-ZIAGYGMSSA-N 2 0 328.376 -0.212 20 0 EBADRP C[C@H](C(=O)NCCCC[NH+]1CCN(CCO)CC1)[NH+]1CC(C)C1 ZINC000570581233 377255601 /nfs/dbraw/zinc/25/56/01/377255601.db2.gz FBWQUIYXIKXZND-MRXNPFEDSA-N 2 0 326.485 -0.167 20 0 EBADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000570568750 377257200 /nfs/dbraw/zinc/25/72/00/377257200.db2.gz HWBBRQPTXLQKHQ-ZIAGYGMSSA-N 2 0 340.493 -0.248 20 0 EBADRP CC(C)(C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)N1CC[NH2+]CC1 ZINC000570713401 377274687 /nfs/dbraw/zinc/27/46/87/377274687.db2.gz NSOKZFOLFJUWEU-ZDUSSCGKSA-N 2 0 325.457 -0.874 20 0 EBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC[N@@H+]1C ZINC000572790741 377291663 /nfs/dbraw/zinc/29/16/63/377291663.db2.gz LLIFKSRTOYOFEH-GJZGRUSLSA-N 3 0 341.500 -0.463 20 0 EBADRP CC[NH+]1CCN(CCCNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000580069403 377352741 /nfs/dbraw/zinc/35/27/41/377352741.db2.gz BTOINHISKDOHLH-HNNXBMFYSA-N 2 0 349.483 -0.040 20 0 EBADRP C[C@H]1C[NH+](CCCNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C[C@H](C)O1 ZINC000636518745 377543727 /nfs/dbraw/zinc/54/37/27/377543727.db2.gz BDRSEJYNVLKQCE-SOUVJXGZSA-N 2 0 328.457 -0.149 20 0 EBADRP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C[C@H]1C ZINC000592442225 377833285 /nfs/dbraw/zinc/83/32/85/377833285.db2.gz KDRKCBDSOZTWBA-JHJVBQTASA-N 2 0 325.409 -0.194 20 0 EBADRP C[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)CCN1CC[NH2+]CC1 ZINC000592472311 377837553 /nfs/dbraw/zinc/83/75/53/377837553.db2.gz XCOQPKAEPXOQNG-UHFFFAOYSA-N 2 0 339.362 -0.398 20 0 EBADRP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593735941 377910317 /nfs/dbraw/zinc/91/03/17/377910317.db2.gz AIRMZZYNFWMMHF-MJBXVCDLSA-N 2 0 327.425 -0.116 20 0 EBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)CCN2C1=O ZINC000594879657 377966594 /nfs/dbraw/zinc/96/65/94/377966594.db2.gz FTKXHFXRGNSBLL-ZNMIVQPWSA-N 2 0 336.436 -0.600 20 0 EBADRP C[NH+](C)C(C)(C)CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000369014366 378079452 /nfs/dbraw/zinc/07/94/52/378079452.db2.gz ANUPDWMGTIDWDW-AWEZNQCLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH2+]CCOCCNC(=O)N1CCN(CCC(=O)OC)C[C@H]1C ZINC000599934118 378284707 /nfs/dbraw/zinc/28/47/07/378284707.db2.gz DIDKFJBPIUZTOH-CYBMUJFWSA-N 2 0 330.429 -0.499 20 0 EBADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000602524013 378360907 /nfs/dbraw/zinc/36/09/07/378360907.db2.gz JSJAAPSPRLMRMG-JYJNAYRXSA-N 2 0 345.447 -0.784 20 0 EBADRP CCS(=O)(=O)NCC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000068818872 378400916 /nfs/dbraw/zinc/40/09/16/378400916.db2.gz TUEFHZBMWOLBQP-UHFFFAOYSA-N 2 0 334.486 -0.685 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000563145163 378452635 /nfs/dbraw/zinc/45/26/35/378452635.db2.gz UXLMMNYGVBRNCO-DDHJSBNISA-N 2 0 340.468 -0.278 20 0 EBADRP C[NH+](C)CCCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604631124 378464847 /nfs/dbraw/zinc/46/48/47/378464847.db2.gz IJBYQUYLNBQGHP-OAHLLOKOSA-N 2 0 327.473 -0.356 20 0 EBADRP C[N@@H+]1CCN(CCNC(=O)NCC[NH+]2CC[C@H](O)C2)CC1(C)C ZINC000637123150 378497691 /nfs/dbraw/zinc/49/76/91/378497691.db2.gz VCSUFUWHANOVAB-AWEZNQCLSA-N 2 0 327.473 -0.622 20 0 EBADRP COCCO[C@H]1C[C@H](CO)C[N@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000338342181 378760690 /nfs/dbraw/zinc/76/06/90/378760690.db2.gz HLIBCPZHKOJCBQ-HOTGVXAUSA-N 2 0 343.468 -0.504 20 0 EBADRP CC(C)Nc1nc(NCCO)nc(N2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000338671609 378801272 /nfs/dbraw/zinc/80/12/72/378801272.db2.gz DMBJKGILUSKSKP-CQSZACIVSA-N 2 0 349.483 -0.138 20 0 EBADRP C[C@@H]1[C@H](NC(=O)C(=O)NCC(C)(C)N2CCOCC2)CCC[N@@H+]1C ZINC000339622730 378958244 /nfs/dbraw/zinc/95/82/44/378958244.db2.gz JHAVBPNMQRKYBY-ZIAGYGMSSA-N 2 0 340.468 -0.188 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000339644097 378965313 /nfs/dbraw/zinc/96/53/13/378965313.db2.gz LCYXGHYKMPBGIW-CQSZACIVSA-N 2 0 339.484 -0.661 20 0 EBADRP CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000339669537 378970428 /nfs/dbraw/zinc/97/04/28/378970428.db2.gz SFINVVIXVWBUTK-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@@H]3CCCn4ccnc43)CCN2C1=O ZINC000563455683 379029617 /nfs/dbraw/zinc/02/96/17/379029617.db2.gz BAIDRYZCQYFSNZ-YNEHKIRRSA-N 2 0 332.408 -0.286 20 0 EBADRP O=C([C@H]1CCC[N@H+](CC2CCS(=O)(=O)CC2)C1)N1CC[NH2+]CC1 ZINC000563623499 379056324 /nfs/dbraw/zinc/05/63/24/379056324.db2.gz IMTASZSKJOIYBY-HNNXBMFYSA-N 2 0 343.493 -0.045 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC(C)(C)C(=O)N2CCCC2)CC1 ZINC000629605353 379073809 /nfs/dbraw/zinc/07/38/09/379073809.db2.gz KCVFRRFASFFPMY-HNNXBMFYSA-N 2 0 326.485 -0.167 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000339921334 379090462 /nfs/dbraw/zinc/09/04/62/379090462.db2.gz GKDVKRXKQZMIJO-UHFFFAOYSA-N 2 0 342.484 -0.083 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000627290652 379122475 /nfs/dbraw/zinc/12/24/75/379122475.db2.gz XAYMPLIPOMPDQB-LBPRGKRZSA-N 2 0 342.465 -0.099 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000339967806 379111626 /nfs/dbraw/zinc/11/16/26/379111626.db2.gz ZJEYUPDRKWRUOM-UHFFFAOYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000629816953 379157754 /nfs/dbraw/zinc/15/77/54/379157754.db2.gz RWWUDMRXXOLQRG-UHFFFAOYSA-N 2 0 328.457 -0.519 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000629793878 379137381 /nfs/dbraw/zinc/13/73/81/379137381.db2.gz MQTUMSVGNFPBGQ-CQSZACIVSA-N 2 0 342.484 -0.131 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000629797930 379140253 /nfs/dbraw/zinc/14/02/53/379140253.db2.gz UBJMOOIRQZVSLZ-UHFFFAOYSA-N 2 0 326.441 -0.636 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000629798505 379142867 /nfs/dbraw/zinc/14/28/67/379142867.db2.gz XQWRIIDRDQJFET-HNNXBMFYSA-N 2 0 339.484 -0.578 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000629803868 379148581 /nfs/dbraw/zinc/14/85/81/379148581.db2.gz QCTNQCOSYPYHGB-UHFFFAOYSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@@H]1CN(C(=O)NCCCN2CCOCC2)C[C@H](C)[N@H+]1CCO ZINC000457393792 379184353 /nfs/dbraw/zinc/18/43/53/379184353.db2.gz FVFJBLDLHKZKMY-GASCZTMLSA-N 2 0 328.457 -0.195 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C[NH2+]1 ZINC000627479222 379190208 /nfs/dbraw/zinc/19/02/08/379190208.db2.gz YHONKHHJOSZWIW-QLFBSQMISA-N 2 0 340.468 -0.188 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CCCO1 ZINC000571514214 379207205 /nfs/dbraw/zinc/20/72/05/379207205.db2.gz AMESWBCVVMQLBF-OAHLLOKOSA-N 2 0 338.452 -0.351 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627302722 379234154 /nfs/dbraw/zinc/23/41/54/379234154.db2.gz WPGUSUZIDLPUCZ-TZMCWYRMSA-N 2 0 326.441 -0.530 20 0 EBADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)ccn1 ZINC000627306267 379279131 /nfs/dbraw/zinc/27/91/31/379279131.db2.gz UXPSJSOUELNWBS-CYBMUJFWSA-N 2 0 335.408 -0.884 20 0 EBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000627305627 379280042 /nfs/dbraw/zinc/28/00/42/379280042.db2.gz CBTQUKGZHARRHL-RBSFLKMASA-N 2 0 338.452 -0.651 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000627325143 379333347 /nfs/dbraw/zinc/33/33/47/379333347.db2.gz ZLXFEJWVDTZMRI-AWEZNQCLSA-N 2 0 327.473 -0.818 20 0 EBADRP CC1CC[NH+](CCCNC(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627308909 379296391 /nfs/dbraw/zinc/29/63/91/379296391.db2.gz BSEMKITXOACFDZ-UHFFFAOYSA-N 2 0 340.468 -0.151 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000627333107 379346296 /nfs/dbraw/zinc/34/62/96/379346296.db2.gz UJHNTUFQUMCBDR-OAHLLOKOSA-N 2 0 342.484 -0.083 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000627314932 379314356 /nfs/dbraw/zinc/31/43/56/379314356.db2.gz QNXLIQNDDMTODA-UHFFFAOYSA-N 2 0 328.457 -0.201 20 0 EBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[NH2+]1 ZINC000627334037 379350854 /nfs/dbraw/zinc/35/08/54/379350854.db2.gz DAEXHLUDPGYYBD-ZIAGYGMSSA-N 2 0 339.484 -0.615 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622028716 379398939 /nfs/dbraw/zinc/39/89/39/379398939.db2.gz VBNFFHAKAMWEQJ-XJKSGUPXSA-N 2 0 326.441 -0.637 20 0 EBADRP O=S(=O)(CCn1ccnc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000641371410 379409793 /nfs/dbraw/zinc/40/97/93/379409793.db2.gz KICFWVLHQLYCAF-AWEZNQCLSA-N 2 0 328.438 -0.133 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000627389114 379578998 /nfs/dbraw/zinc/57/89/98/379578998.db2.gz SGKZIYGUWWDJSC-CQSZACIVSA-N 2 0 326.441 -0.528 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000627394327 379580028 /nfs/dbraw/zinc/58/00/28/379580028.db2.gz DEAKHRYBTWMNLS-UHFFFAOYSA-N 2 0 340.468 -0.329 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000627397456 379580189 /nfs/dbraw/zinc/58/01/89/379580189.db2.gz NEYUXWNCERFTHX-HNNXBMFYSA-N 2 0 336.436 -0.161 20 0 EBADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627394313 379581307 /nfs/dbraw/zinc/58/13/07/379581307.db2.gz CYSIVSVTWBNVDX-CHWSQXEVSA-N 2 0 326.441 -0.672 20 0 EBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627393133 379581626 /nfs/dbraw/zinc/58/16/26/379581626.db2.gz PRAQPBUWMTVAAC-GFCCVEGCSA-N 2 0 326.441 -0.530 20 0 EBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000627405790 379583533 /nfs/dbraw/zinc/58/35/33/379583533.db2.gz NLMIKIIDPOLURN-CQSZACIVSA-N 2 0 338.452 -0.432 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000627398633 379583860 /nfs/dbraw/zinc/58/38/60/379583860.db2.gz RTAKLDBCVLVULT-SOUVJXGZSA-N 2 0 339.484 -0.757 20 0 EBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627422955 379590515 /nfs/dbraw/zinc/59/05/15/379590515.db2.gz ZJCHDFKGCVQQJL-ZIAGYGMSSA-N 2 0 340.468 -0.058 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000627427407 379593212 /nfs/dbraw/zinc/59/32/12/379593212.db2.gz DNAVPTISSZGVRP-AWEZNQCLSA-N 2 0 340.468 -0.138 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[NH2+]1 ZINC000627364299 379566679 /nfs/dbraw/zinc/56/66/79/379566679.db2.gz MBTWGLPDCVJIRU-CABCVRRESA-N 2 0 339.484 -0.613 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000627366927 379568818 /nfs/dbraw/zinc/56/88/18/379568818.db2.gz FWAZHQYDDHRKFW-HZSPNIEDSA-N 2 0 326.441 -0.530 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000627382323 379573874 /nfs/dbraw/zinc/57/38/74/379573874.db2.gz VCMOHWWPXBQAKS-UHFFFAOYSA-N 2 0 328.457 -0.342 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000627487049 379634155 /nfs/dbraw/zinc/63/41/55/379634155.db2.gz SUAGIZLVCHOQRF-UHFFFAOYSA-N 2 0 340.468 -0.055 20 0 EBADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627506141 379649190 /nfs/dbraw/zinc/64/91/90/379649190.db2.gz ARKBOONMQGWJKG-CYBMUJFWSA-N 2 0 326.441 -0.576 20 0 EBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627455996 379606246 /nfs/dbraw/zinc/60/62/46/379606246.db2.gz USKMFMUVKKTQSU-UONOGXRCSA-N 2 0 338.452 -0.447 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000627468850 379613689 /nfs/dbraw/zinc/61/36/89/379613689.db2.gz FMGJAUZPQSTGLA-HUUCEWRRSA-N 2 0 338.452 -0.432 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000627468848 379614489 /nfs/dbraw/zinc/61/44/89/379614489.db2.gz FMGJAUZPQSTGLA-CABCVRRESA-N 2 0 338.452 -0.432 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000627468693 379615124 /nfs/dbraw/zinc/61/51/24/379615124.db2.gz BHAASNADZJRSCU-MCIONIFRSA-N 2 0 326.441 -0.672 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2COCC[NH2+]2)[C@@H](C)C1 ZINC000627473995 379622146 /nfs/dbraw/zinc/62/21/46/379622146.db2.gz BICXXOUBYHLMQB-IHRRRGAJSA-N 2 0 326.441 -0.720 20 0 EBADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627473891 379623146 /nfs/dbraw/zinc/62/31/46/379623146.db2.gz ZELWNQKYJDVYJO-CYBMUJFWSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[NH2+]1 ZINC000627476654 379624677 /nfs/dbraw/zinc/62/46/77/379624677.db2.gz IWOUSTJLSOBICZ-UONOGXRCSA-N 2 0 331.420 -0.013 20 0 EBADRP C[C@H]1CC[C@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[NH2+]1 ZINC000627476652 379625593 /nfs/dbraw/zinc/62/55/93/379625593.db2.gz IWOUSTJLSOBICZ-KBPBESRZSA-N 2 0 331.420 -0.013 20 0 EBADRP C[C@H](CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H](C)[NH+](C)C)O1)[NH+](C)C ZINC000495014169 379700418 /nfs/dbraw/zinc/70/04/18/379700418.db2.gz BVWBNCJDWGTBBD-SYQHCUMBSA-N 2 0 328.457 -0.333 20 0 EBADRP CCC[NH+]1CCC(CNC(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000642247026 379753376 /nfs/dbraw/zinc/75/33/76/379753376.db2.gz CVRBLENFZSTTIN-DZGCQCFKSA-N 2 0 340.468 -0.201 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CC1 ZINC000642247039 379753907 /nfs/dbraw/zinc/75/39/07/379753907.db2.gz GGOZGKRVCPVFGE-OAHLLOKOSA-N 2 0 340.468 -0.330 20 0 EBADRP CN1CCO[C@@H](CS(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000632066654 379809778 /nfs/dbraw/zinc/80/97/78/379809778.db2.gz LTBLZIPQHSMMMF-OLZOCXBDSA-N 2 0 337.511 -0.326 20 0 EBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000627086493 379801542 /nfs/dbraw/zinc/80/15/42/379801542.db2.gz BAGMKIIUOGKYGI-ZIAGYGMSSA-N 2 0 338.456 -0.391 20 0 EBADRP C[C@@H](CCC[NH3+])NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627096094 379802922 /nfs/dbraw/zinc/80/29/22/379802922.db2.gz QHVFYFPACDJNDX-ZDUSSCGKSA-N 2 0 326.445 -0.534 20 0 EBADRP [NH3+]CCCOCCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000627091690 379803250 /nfs/dbraw/zinc/80/32/50/379803250.db2.gz WXVDPKRLEGGDGZ-NSHDSACASA-N 2 0 341.378 -0.513 20 0 EBADRP CN(CCOCC[NH3+])C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000627002845 379775768 /nfs/dbraw/zinc/77/57/68/379775768.db2.gz WZYSQYUBDQEUKP-CABCVRRESA-N 2 0 328.457 -0.019 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000627028188 379782197 /nfs/dbraw/zinc/78/21/97/379782197.db2.gz HTZFSCBURSNZOK-UHFFFAOYSA-N 2 0 329.489 -0.110 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C[NH2+]1 ZINC000627207414 379839183 /nfs/dbraw/zinc/83/91/83/379839183.db2.gz QXOXWEUDTPEUIH-ILXRZTDVSA-N 2 0 337.468 -0.020 20 0 EBADRP C[C@@H]1CN(C(=O)NCC2([NH3+])CCOCC2)CC[N@@H+]1CC(C)(C)O ZINC000627150907 379817331 /nfs/dbraw/zinc/81/73/31/379817331.db2.gz WQVQJFWYIJNZQK-CYBMUJFWSA-N 2 0 328.457 -0.019 20 0 EBADRP C[NH2+]CCOCCNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000627173777 379821499 /nfs/dbraw/zinc/82/14/99/379821499.db2.gz FFQNUDKWLZNLKF-CVEARBPZSA-N 2 0 341.500 -0.110 20 0 EBADRP C[NH2+]CCOCCNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000627177869 379823310 /nfs/dbraw/zinc/82/33/10/379823310.db2.gz MEMJNNAMBQJGDH-UHFFFAOYSA-N 2 0 329.489 -0.110 20 0 EBADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627186221 379825177 /nfs/dbraw/zinc/82/51/77/379825177.db2.gz QVMCPNNBYYBEIG-CQSZACIVSA-N 3 0 327.473 -0.358 20 0 EBADRP CN(C(=O)NC[C@@H]1COCC[NH2+]1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000627190184 379826387 /nfs/dbraw/zinc/82/63/87/379826387.db2.gz YCUKNGHDBUFCBI-GDBMZVCRSA-N 2 0 339.484 -0.215 20 0 EBADRP CN(C(=O)NC[C@H]1COCC[NH2+]1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000627190186 379827628 /nfs/dbraw/zinc/82/76/28/379827628.db2.gz YCUKNGHDBUFCBI-HOCLYGCPSA-N 2 0 339.484 -0.215 20 0 EBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1 ZINC000633087169 379930557 /nfs/dbraw/zinc/93/05/57/379930557.db2.gz BZWYMLCVAVVXOA-XHSDSOJGSA-N 2 0 349.479 -0.812 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000633110784 379941830 /nfs/dbraw/zinc/94/18/30/379941830.db2.gz YEXWEAGZJLOHRK-QLFBSQMISA-N 2 0 338.452 -0.482 20 0 EBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000633117286 379945666 /nfs/dbraw/zinc/94/56/66/379945666.db2.gz GNOSKWBNGKEIGT-UHFFFAOYSA-N 2 0 328.457 -0.247 20 0 EBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000633118220 379946056 /nfs/dbraw/zinc/94/60/56/379946056.db2.gz NZWFQGJGYHVWQA-KBPBESRZSA-N 2 0 340.468 -0.106 20 0 EBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000633118354 379946110 /nfs/dbraw/zinc/94/61/10/379946110.db2.gz NZWFQGJGYHVWQA-ZIAGYGMSSA-N 2 0 340.468 -0.106 20 0 EBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000633147562 379949220 /nfs/dbraw/zinc/94/92/20/379949220.db2.gz SLVWLZZKZVHBLA-KBPBESRZSA-N 2 0 327.473 -0.724 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000340081379 380014167 /nfs/dbraw/zinc/01/41/67/380014167.db2.gz QTYZTYKAHWZNPH-UHFFFAOYSA-N 2 0 339.484 -0.661 20 0 EBADRP C[C@@](O)(CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)CN1CCOCC1 ZINC000073717229 380091149 /nfs/dbraw/zinc/09/11/49/380091149.db2.gz YYTYQRACUGJVMB-WMLDXEAASA-N 2 0 340.468 -0.147 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@]2(O)CC[NH+](C)C2)C1 ZINC000545176723 380084444 /nfs/dbraw/zinc/08/44/44/380084444.db2.gz MELVLEWEXKBOAE-GOEBONIOSA-N 2 0 328.457 -0.291 20 0 EBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000545884391 380099264 /nfs/dbraw/zinc/09/92/64/380099264.db2.gz MTYBEDQVUYZWCC-WMLDXEAASA-N 2 0 340.468 -0.147 20 0 EBADRP COC[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCCC[NH2+]1 ZINC000638089333 380115881 /nfs/dbraw/zinc/11/58/81/380115881.db2.gz NXUFYTKCVQNBOP-RHSMWYFYSA-N 2 0 340.468 -0.151 20 0 EBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000638097558 380130222 /nfs/dbraw/zinc/13/02/22/380130222.db2.gz FYOIFUHKPHCHIZ-YOEHRIQHSA-N 2 0 338.452 -0.480 20 0 EBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000355276396 380177895 /nfs/dbraw/zinc/17/78/95/380177895.db2.gz HRBIVDUAAWCYGU-AWEZNQCLSA-N 2 0 341.500 -0.415 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccncc1 ZINC000550425871 380255876 /nfs/dbraw/zinc/25/58/76/380255876.db2.gz RUEBEGFVALJQFA-UHFFFAOYSA-N 2 0 335.452 -0.308 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H](O)CN2CCOCC2)C[N@@H+]1C1CC1 ZINC000246299366 380266075 /nfs/dbraw/zinc/26/60/75/380266075.db2.gz LKMJMJFGHHSXHV-IJEWVQPXSA-N 2 0 340.468 -0.054 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)NS(C)(=O)=O ZINC000245203953 380238237 /nfs/dbraw/zinc/23/82/37/380238237.db2.gz PWNRPHJDMNONIO-UONOGXRCSA-N 2 0 348.513 -0.201 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000285944579 380274012 /nfs/dbraw/zinc/27/40/12/380274012.db2.gz MEWONPYVSGNAET-CQSZACIVSA-N 2 0 349.435 -0.529 20 0 EBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CS1 ZINC000564820265 380381328 /nfs/dbraw/zinc/38/13/28/380381328.db2.gz ZMEUUGUJRMXGRC-CHWSQXEVSA-N 2 0 330.498 -0.052 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@]1(C)CCCO1 ZINC000554250000 380339217 /nfs/dbraw/zinc/33/92/17/380339217.db2.gz RBTDRTNYJIZFST-INIZCTEOSA-N 2 0 328.457 -0.377 20 0 EBADRP COCC(C)(C)[NH+]1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000565535293 380423850 /nfs/dbraw/zinc/42/38/50/380423850.db2.gz PXDRDGAKLAGSCV-UHFFFAOYSA-N 2 0 341.456 -0.830 20 0 EBADRP Cn1cc(N2CC[C@@H](N3CCC[C@H](N4CCNCC4=O)C3)C2=O)cn1 ZINC000362836324 380435695 /nfs/dbraw/zinc/43/56/95/380435695.db2.gz FZUJGJCPQKKQOC-DZGCQCFKSA-N 2 0 346.435 -0.578 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000362825944 380436018 /nfs/dbraw/zinc/43/60/18/380436018.db2.gz LABMEIMLCUBAIF-TZMCWYRMSA-N 2 0 336.440 -0.303 20 0 EBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000566151335 380449598 /nfs/dbraw/zinc/44/95/98/380449598.db2.gz XULXLNCURUKPTG-CQSZACIVSA-N 2 0 334.424 -0.689 20 0 EBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCC3CC[NH+](C4CC4)CC3)CCN2C1=O ZINC000565249814 380411244 /nfs/dbraw/zinc/41/12/44/380411244.db2.gz JHIWIYWUSMRALB-LSDHHAIUSA-N 2 0 335.452 -0.186 20 0 EBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000362563634 380411362 /nfs/dbraw/zinc/41/13/62/380411362.db2.gz AXOJSFGEUSUOBJ-GJZGRUSLSA-N 2 0 349.483 -0.042 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H](CO)Cc2ccc(F)cc2)CC1 ZINC000566974262 380496041 /nfs/dbraw/zinc/49/60/41/380496041.db2.gz WZSCMDZSOLCRCZ-DLBZAZTESA-N 2 0 325.428 -0.073 20 0 EBADRP C[NH2+]CCOCCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000638578576 380517452 /nfs/dbraw/zinc/51/74/52/380517452.db2.gz OVOABEVLJWYKKZ-UHFFFAOYSA-N 2 0 335.452 -0.054 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)CCC[N@@H+]1C ZINC000340352365 380470303 /nfs/dbraw/zinc/47/03/03/380470303.db2.gz UUOCFBCLRPFPRR-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000638441587 380474523 /nfs/dbraw/zinc/47/45/23/380474523.db2.gz XUXXLVVKGQILJK-ZENOOKHLSA-N 2 0 348.451 -0.359 20 0 EBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000638441577 380474950 /nfs/dbraw/zinc/47/49/50/380474950.db2.gz XUXXLVVKGQILJK-IOASZLSFSA-N 2 0 348.451 -0.359 20 0 EBADRP Cn1nccc1N1CCC[C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000566556979 380479642 /nfs/dbraw/zinc/47/96/42/380479642.db2.gz WEGMEJICLOUKBC-CVEARBPZSA-N 2 0 336.484 -0.413 20 0 EBADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638480302 380482826 /nfs/dbraw/zinc/48/28/26/380482826.db2.gz KVQQYAJLHXCOJC-CYBMUJFWSA-N 2 0 341.481 -0.749 20 0 EBADRP CCC(CC)(C[NH3+])C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638480698 380483771 /nfs/dbraw/zinc/48/37/71/380483771.db2.gz YQBYBRXZEYFROG-UHFFFAOYSA-N 2 0 325.457 -0.079 20 0 EBADRP CN1CCN(C(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)[C@H](C[NH3+])C1 ZINC000567598288 380529818 /nfs/dbraw/zinc/52/98/18/380529818.db2.gz WYVPAEZRILWBOM-YMAMQOFZSA-N 2 0 339.484 -0.676 20 0 EBADRP O=C(NCCCN1CCOCC1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000369043950 380537701 /nfs/dbraw/zinc/53/77/01/380537701.db2.gz GWCSMADSPTVSPA-CABCVRRESA-N 2 0 326.441 -0.129 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2C[C@@H](OC)C[NH2+]2)CC1 ZINC000567974165 380562893 /nfs/dbraw/zinc/56/28/93/380562893.db2.gz UCIJUSIMPPJAPC-ZIAGYGMSSA-N 2 0 326.441 -0.624 20 0 EBADRP CN(CCCNC(=O)C[NH+]1CCC(CC[NH3+])CC1)S(C)(=O)=O ZINC000568098488 380575190 /nfs/dbraw/zinc/57/51/90/380575190.db2.gz HCZIQPUEEQFNFW-UHFFFAOYSA-N 2 0 334.486 -0.555 20 0 EBADRP C[NH+](C)CCOCC[NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000572751984 380643678 /nfs/dbraw/zinc/64/36/78/380643678.db2.gz XYGNYCJNJIFAAJ-CYBMUJFWSA-N 2 0 335.404 -0.189 20 0 EBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@@H]3[NH2+]CCc4ccccc43)CCN2C1=O ZINC000568287769 380593828 /nfs/dbraw/zinc/59/38/28/380593828.db2.gz JPWSRTGWJIYJFP-BMFZPTHFSA-N 2 0 343.431 -0.173 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000568492048 380604367 /nfs/dbraw/zinc/60/43/67/380604367.db2.gz AFULYESVXTXWPX-CRWXNKLISA-N 2 0 338.452 -0.089 20 0 EBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000341161469 380674308 /nfs/dbraw/zinc/67/43/08/380674308.db2.gz KQLWLBOLZFUXRF-AWEZNQCLSA-N 2 0 348.451 -0.198 20 0 EBADRP CN1CCN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)[C@@H](C[NH3+])C1 ZINC000573711500 380684543 /nfs/dbraw/zinc/68/45/43/380684543.db2.gz CKADFOIFUVUCCE-HNNXBMFYSA-N 2 0 337.468 -0.826 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH+]1CCOC ZINC000341567296 380710255 /nfs/dbraw/zinc/71/02/55/380710255.db2.gz SYMSPVJBHZTBRP-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[NH2+]CCCNC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000573905242 380692759 /nfs/dbraw/zinc/69/27/59/380692759.db2.gz PLXAAFUZSRVAEF-CQSZACIVSA-N 2 0 328.457 -0.425 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)C1 ZINC000574261670 380705455 /nfs/dbraw/zinc/70/54/55/380705455.db2.gz NBUJUJCOVMQTRT-GJZGRUSLSA-N 2 0 340.468 -0.343 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000575174585 380732070 /nfs/dbraw/zinc/73/20/70/380732070.db2.gz KKBSIHNFZGMAGW-QLFBSQMISA-N 2 0 336.440 -0.423 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000627425392 380734313 /nfs/dbraw/zinc/73/43/13/380734313.db2.gz OINKZZIPEKTIDB-QKGCVVFFSA-N 2 0 340.468 -0.143 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H](O)Cc2cccc(F)c2)CC1 ZINC000575401431 380739237 /nfs/dbraw/zinc/73/92/37/380739237.db2.gz YCNINOJQLRPXCR-SJORKVTESA-N 2 0 325.428 -0.073 20 0 EBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000576637457 380779596 /nfs/dbraw/zinc/77/95/96/380779596.db2.gz ZIWYVWYZEXRJJD-IKGGRYGDSA-N 2 0 334.464 -0.296 20 0 EBADRP CC[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC[N@@H+]1C[C@@H](C)O ZINC000576808629 380785074 /nfs/dbraw/zinc/78/50/74/380785074.db2.gz HTVLYJDFMWJYIY-RBSFLKMASA-N 2 0 327.473 -0.623 20 0 EBADRP COC1(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC[NH2+]CC1 ZINC000374518829 380797311 /nfs/dbraw/zinc/79/73/11/380797311.db2.gz HFYRHYXSOPIIHQ-LLVKDONJSA-N 2 0 338.374 -0.293 20 0 EBADRP COCc1ccccc1CNC(=O)CN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000580580166 380797845 /nfs/dbraw/zinc/79/78/45/380797845.db2.gz BVJJXEPVHXAEBW-CVEARBPZSA-N 2 0 346.431 -0.307 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000577486645 380824654 /nfs/dbraw/zinc/82/46/54/380824654.db2.gz LAHIAOQSIHTSNV-OAHLLOKOSA-N 3 0 341.500 -0.428 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000580632303 380806037 /nfs/dbraw/zinc/80/60/37/380806037.db2.gz AHLYRUKCNNABSW-CQSZACIVSA-N 2 0 325.457 -0.066 20 0 EBADRP CC[NH2+]CCCNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000563694633 380872094 /nfs/dbraw/zinc/87/20/94/380872094.db2.gz JPQGTBWAEFAIPJ-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000125216571 380825936 /nfs/dbraw/zinc/82/59/36/380825936.db2.gz AOHDAOVZCCXWJR-ZIAGYGMSSA-N 2 0 325.457 -0.922 20 0 EBADRP C[NH+]1CCC(n2cc(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)cn2)CC1 ZINC000638977546 380839616 /nfs/dbraw/zinc/83/96/16/380839616.db2.gz MGRBUOAFDHAPIH-AWEZNQCLSA-N 2 0 334.424 -0.044 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000578448833 380930202 /nfs/dbraw/zinc/93/02/02/380930202.db2.gz PBTKHGKISHMXFN-ZDUSSCGKSA-N 2 0 340.468 -0.188 20 0 EBADRP [NH3+]CCCn1cc(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)nn1 ZINC000579110630 380970688 /nfs/dbraw/zinc/97/06/88/380970688.db2.gz UISIVBPJBAOPFC-LLVKDONJSA-N 2 0 349.361 -0.807 20 0 EBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)c1 ZINC000377394293 380971132 /nfs/dbraw/zinc/97/11/32/380971132.db2.gz WRCMAZLUDGVHNP-UKRRQHHQSA-N 2 0 338.433 -0.138 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[C@H]1CCO ZINC000579175739 380975566 /nfs/dbraw/zinc/97/55/66/380975566.db2.gz ZDHOXXGUJJUTKE-GJZGRUSLSA-N 2 0 342.484 -0.395 20 0 EBADRP COC1CC[NH+](C2(CNC(=O)C(=O)NC3C[NH2+]C3)CCCC2)CC1 ZINC000578731123 380948422 /nfs/dbraw/zinc/94/84/22/380948422.db2.gz IKZAPXOBASQMME-UHFFFAOYSA-N 2 0 338.452 -0.386 20 0 EBADRP CN(C)C(=O)CCN1CCN(S(=O)(=O)CC[NH+]2CCCC2)CC1 ZINC000579783791 381015278 /nfs/dbraw/zinc/01/52/78/381015278.db2.gz DIZSJNDNLMUERT-UHFFFAOYSA-N 2 0 346.497 -0.492 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000417745772 380986872 /nfs/dbraw/zinc/98/68/72/380986872.db2.gz FLVQBSGGTDGAGG-HNNXBMFYSA-N 2 0 327.473 -0.356 20 0 EBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000579378240 380987254 /nfs/dbraw/zinc/98/72/54/380987254.db2.gz XPHKZZYHFMVSTP-KGLIPLIRSA-N 2 0 326.441 -0.672 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000377769622 380992932 /nfs/dbraw/zinc/99/29/32/380992932.db2.gz MMJCRLVGTVYOML-HRCADAONSA-N 2 0 340.468 -0.052 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417758928 380993300 /nfs/dbraw/zinc/99/33/00/380993300.db2.gz VPGQOZFENJMGAO-CQSZACIVSA-N 2 0 343.472 -0.549 20 0 EBADRP CC(C)(O)C[NH+]1CCN(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418297437 381032859 /nfs/dbraw/zinc/03/28/59/381032859.db2.gz KVSNSMFYJNPRCT-UHFFFAOYSA-N 2 0 327.473 -0.620 20 0 EBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)NCCN1CC[NH2+]CC1 ZINC000418309666 381035733 /nfs/dbraw/zinc/03/57/33/381035733.db2.gz WPKJPJUKISRVJU-UHFFFAOYSA-N 2 0 328.505 -0.584 20 0 EBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C[C@H]1CSCC[NH2+]1 ZINC000193706833 381042648 /nfs/dbraw/zinc/04/26/48/381042648.db2.gz MFAKMIFCPRYSDD-STQMWFEESA-N 2 0 328.482 -0.072 20 0 EBADRP [NH3+]CCCN(Cc1ccccc1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000581597561 381087686 /nfs/dbraw/zinc/08/76/86/381087686.db2.gz ATNWBHNPRJFKND-UHFFFAOYSA-N 2 0 333.436 -0.021 20 0 EBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000642439450 381094853 /nfs/dbraw/zinc/09/48/53/381094853.db2.gz HJLSMSIOVNEYQI-ZIAGYGMSSA-N 2 0 325.457 -0.922 20 0 EBADRP CN1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@H](C[NH3+])C1 ZINC000581874256 381104188 /nfs/dbraw/zinc/10/41/88/381104188.db2.gz ZPPNXWHSJVKKDF-CQSZACIVSA-N 3 0 326.489 -0.703 20 0 EBADRP C[NH2+]C[C@@H](C)CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000418373227 381111633 /nfs/dbraw/zinc/11/16/33/381111633.db2.gz ZLBYLBPLBAHILM-ZIAGYGMSSA-N 2 0 325.457 -0.210 20 0 EBADRP CC[NH2+]CCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000583312829 381125910 /nfs/dbraw/zinc/12/59/10/381125910.db2.gz QRKAGDWQXPNEGJ-UHFFFAOYSA-N 2 0 349.435 -0.145 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418405917 381214526 /nfs/dbraw/zinc/21/45/26/381214526.db2.gz LJFGZZLGMSGMHT-ZIAGYGMSSA-N 2 0 325.457 -0.177 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418772255 381263858 /nfs/dbraw/zinc/26/38/58/381263858.db2.gz SPDQVDFIAJFGHD-HNNXBMFYSA-N 3 0 329.489 -0.110 20 0 EBADRP CCC[NH2+]CCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000418467018 381241464 /nfs/dbraw/zinc/24/14/64/381241464.db2.gz FKGSMRMSBRDYPZ-UHFFFAOYSA-N 2 0 325.457 -0.064 20 0 EBADRP C[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000347663401 381242188 /nfs/dbraw/zinc/24/21/88/381242188.db2.gz DYJFXACITDPNPM-CVEARBPZSA-N 2 0 326.485 -0.046 20 0 EBADRP C[NH+](C)[C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)Cc1ccccc1 ZINC000418827241 381286505 /nfs/dbraw/zinc/28/65/05/381286505.db2.gz BZCUUJIEMNOQRU-HNNXBMFYSA-N 2 0 336.436 -0.945 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CCCC1 ZINC000418824149 381287406 /nfs/dbraw/zinc/28/74/06/381287406.db2.gz CUQMTNYYDYIKIW-ZDUSSCGKSA-N 2 0 326.441 -0.447 20 0 EBADRP CO[C@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)[C@H](C[NH3+])C1 ZINC000418833975 381289496 /nfs/dbraw/zinc/28/94/96/381289496.db2.gz LLWFZVNYQSJKMI-KBPBESRZSA-N 2 0 340.468 -0.058 20 0 EBADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CCCC1 ZINC000418796269 381273912 /nfs/dbraw/zinc/27/39/12/381273912.db2.gz DPXNRVLHLNGGRK-CYBMUJFWSA-N 2 0 326.441 -0.589 20 0 EBADRP C[NH+](C)CC1(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CCCC1 ZINC000418798107 381275540 /nfs/dbraw/zinc/27/55/40/381275540.db2.gz GVPYSXZMSHSZTL-AWEZNQCLSA-N 2 0 340.468 -0.281 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)[C@@H](C)C[NH2+]1 ZINC000418877582 381326615 /nfs/dbraw/zinc/32/66/15/381326615.db2.gz JOPWTKZOWIXTSB-QLFBSQMISA-N 2 0 340.468 -0.188 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000418920375 381340660 /nfs/dbraw/zinc/34/06/60/381340660.db2.gz KTSWBFPVKLYBQL-ZNMIVQPWSA-N 2 0 340.468 -0.426 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000418921503 381340838 /nfs/dbraw/zinc/34/08/38/381340838.db2.gz LWJWTAVZQAWOIQ-KGLIPLIRSA-N 2 0 326.441 -0.672 20 0 EBADRP C[C@H](NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)C(C)(C)C[NH+](C)C ZINC000348006646 381309340 /nfs/dbraw/zinc/30/93/40/381309340.db2.gz JCOCONOYDXBQGA-KBPBESRZSA-N 2 0 341.500 -0.559 20 0 EBADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000347972001 381313399 /nfs/dbraw/zinc/31/33/99/381313399.db2.gz RTVUAVAIZJLMOR-LSDHHAIUSA-N 2 0 339.484 -0.804 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000418923845 381341651 /nfs/dbraw/zinc/34/16/51/381341651.db2.gz OMHKHXVIXAMRBE-PBHICJAKSA-N 2 0 340.468 -0.343 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000418910183 381344863 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CO[C@H]1CCN(C(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)[C@H](C[NH3+])C1 ZINC000419225870 381401809 /nfs/dbraw/zinc/40/18/09/381401809.db2.gz PSYQRSSOUWSYLL-GJZGRUSLSA-N 2 0 338.452 -0.281 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000419451555 381441847 /nfs/dbraw/zinc/44/18/47/381441847.db2.gz NOGBWSMLWSAWDB-KGLIPLIRSA-N 2 0 328.457 -0.343 20 0 EBADRP [NH3+]C1(CNC(=O)C(=O)NCCCC[NH+]2CCOCC2)CCCCC1 ZINC000419476200 381445123 /nfs/dbraw/zinc/44/51/23/381445123.db2.gz FZZAGLLJNNBELB-UHFFFAOYSA-N 2 0 340.468 -0.007 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)[C@@H](C)C[NH2+]1 ZINC000419480559 381446405 /nfs/dbraw/zinc/44/64/05/381446405.db2.gz NRXKCKPNJWLGBD-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000419536400 381451246 /nfs/dbraw/zinc/45/12/46/381451246.db2.gz MFCQWPGXEXFYAI-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000419526850 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ZINC000571909771 381626478 /nfs/dbraw/zinc/62/64/78/381626478.db2.gz CPRSPRYVGTVRDJ-KRWDZBQOSA-N 2 0 334.464 -0.077 20 0 EBADRP Cn1c2ncn(CC[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)c2c(=O)n(C)c1=O ZINC000351482061 381627262 /nfs/dbraw/zinc/62/72/62/381627262.db2.gz YNQQAMSYVZGCSA-SRVKXCTJSA-N 2 0 332.408 -0.897 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000572037883 381636845 /nfs/dbraw/zinc/63/68/45/381636845.db2.gz ABRWMCKUWVGUHG-HOTGVXAUSA-N 2 0 341.427 -0.237 20 0 EBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000351582268 381646958 /nfs/dbraw/zinc/64/69/58/381646958.db2.gz XUSIGUMPBDRERY-OAHLLOKOSA-N 2 0 338.452 -0.575 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CN1CCNCC1=O ZINC000572239815 381651280 /nfs/dbraw/zinc/65/12/80/381651280.db2.gz MKTZQUYKSLHTKQ-UHFFFAOYSA-N 2 0 327.473 -0.850 20 0 EBADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000351859032 381686663 /nfs/dbraw/zinc/68/66/63/381686663.db2.gz ZLDXEBPCWWNJSI-VXGBXAGGSA-N 2 0 334.424 -0.507 20 0 EBADRP CN1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000331955402 381733673 /nfs/dbraw/zinc/73/36/73/381733673.db2.gz ABLFXPYRVPELJB-RRFJBIMHSA-N 2 0 338.452 -0.624 20 0 EBADRP C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000626812677 381792781 /nfs/dbraw/zinc/79/27/81/381792781.db2.gz KZBCMKZRVFJOID-KRWDZBQOSA-N 2 0 348.403 -0.710 20 0 EBADRP C[C@]1(NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC[NH2+]C1 ZINC000612882852 381875528 /nfs/dbraw/zinc/87/55/28/381875528.db2.gz GZUZEEZTHUSOSE-ZBFHGGJFSA-N 2 0 325.457 -0.556 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000352045312 381862362 /nfs/dbraw/zinc/86/23/62/381862362.db2.gz OEGULSQOLBGTRY-KBPBESRZSA-N 2 0 328.457 -0.249 20 0 EBADRP CC(C)[C@H](CNC(=O)NCCOCCC[NH3+])[NH+]1CCN(C)CC1 ZINC000626929448 381955158 /nfs/dbraw/zinc/95/51/58/381955158.db2.gz NDOIMPAZDJCCDJ-HNNXBMFYSA-N 2 0 329.489 -0.077 20 0 EBADRP CN(CCC[NH+](C)C)CCNC(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000617765571 381971174 /nfs/dbraw/zinc/97/11/74/381971174.db2.gz HEIYJVGRJQYTAX-UHFFFAOYSA-N 2 0 343.453 -0.658 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC000643530824 382046832 /nfs/dbraw/zinc/04/68/32/382046832.db2.gz YOPDUPIIPDZTKD-SOUVJXGZSA-N 2 0 340.468 -0.106 20 0 EBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000643532480 382048345 /nfs/dbraw/zinc/04/83/45/382048345.db2.gz IPLHPTWMNPPKIK-LVQVYYBASA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000629173811 382081505 /nfs/dbraw/zinc/08/15/05/382081505.db2.gz JCUGBEFONWPBOJ-SJLPKXTDSA-N 2 0 333.432 -0.194 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCCN1C(=O)CCC1=O ZINC000563922471 382088610 /nfs/dbraw/zinc/08/86/10/382088610.db2.gz FNOQEENKXDSGTA-UHFFFAOYSA-N 2 0 341.456 -0.340 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)cn1 ZINC000446369333 382179824 /nfs/dbraw/zinc/17/98/24/382179824.db2.gz DJHZIOZEEWTFPU-CMPLNLGQSA-N 2 0 326.376 -0.801 20 0 EBADRP CN(C)C(=O)CC[NH+]1CCN(c2ccnc(N3CCOCC3)n2)CC1 ZINC000353279106 382135083 /nfs/dbraw/zinc/13/50/83/382135083.db2.gz YEUYOIJGWJQMMX-UHFFFAOYSA-N 2 0 348.451 -0.087 20 0 EBADRP CC[NH+]1CCN(CC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000444382445 382150139 /nfs/dbraw/zinc/15/01/39/382150139.db2.gz FYSDRAQPIYZZHZ-OAHLLOKOSA-N 2 0 326.485 -0.073 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000352870421 285246781 /nfs/dbraw/zinc/24/67/81/285246781.db2.gz LADBPWOERDMUOX-KFWWJZLASA-N 2 0 340.468 -0.106 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC[NH+](C)CCOC)[C@@H](C)C1 ZINC000358553467 285383001 /nfs/dbraw/zinc/38/30/01/285383001.db2.gz BHRFOTHRLFYWLL-GJZGRUSLSA-N 2 0 342.484 -0.131 20 0 EBADRP CC[N@H+](C)C[C@@H]1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000173922136 154103513 /nfs/dbraw/zinc/10/35/13/154103513.db2.gz JZEQLQJZXMPKTJ-ZDUSSCGKSA-N 2 0 348.451 -0.293 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NCCC(=O)N1CCN(C)CC1 ZINC000173819203 154103693 /nfs/dbraw/zinc/10/36/93/154103693.db2.gz NYARRVQPAWUXPA-AWEZNQCLSA-N 2 0 325.457 -0.066 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+]C(C)(C)CC(N)=O)C1 ZINC000186207832 154144505 /nfs/dbraw/zinc/14/45/05/154144505.db2.gz HWTACVQOAJAQIU-ZDUSSCGKSA-N 2 0 328.457 -0.297 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195519240 154165215 /nfs/dbraw/zinc/16/52/15/154165215.db2.gz JIKAGTUVFRWQPR-AWEZNQCLSA-N 2 0 342.484 -0.083 20 0 EBADRP CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000261681997 154196361 /nfs/dbraw/zinc/19/63/61/154196361.db2.gz IEBAROZKUOPQLD-UONOGXRCSA-N 2 0 346.497 -0.555 20 0 EBADRP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261652303 154196619 /nfs/dbraw/zinc/19/66/19/154196619.db2.gz JTDFSBUTGUUVOC-QWHCGFSZSA-N 2 0 339.440 -0.588 20 0 EBADRP O=C(CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1)N1CC[NH2+]CC1 ZINC000262060496 154210842 /nfs/dbraw/zinc/21/08/42/154210842.db2.gz JCGCPVPUCGDCQQ-OAHLLOKOSA-N 2 0 338.452 -0.478 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000262158490 154215216 /nfs/dbraw/zinc/21/52/16/154215216.db2.gz PQUINBPSHHKXDB-ZFWWWQNUSA-N 2 0 328.457 -0.441 20 0 EBADRP COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000262268798 154221873 /nfs/dbraw/zinc/22/18/73/154221873.db2.gz YHJRHVWAQULLAQ-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@H+](CCN1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1)Cc1ccccc1 ZINC000262368632 154228454 /nfs/dbraw/zinc/22/84/54/154228454.db2.gz JTJXTCPNEPBLQT-QZTJIDSGSA-N 2 0 346.475 -0.015 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000263116242 154254641 /nfs/dbraw/zinc/25/46/41/154254641.db2.gz FXTOFPWPYQSEEM-HNNXBMFYSA-N 2 0 340.468 -0.153 20 0 EBADRP C[C@H](CNC(=O)C(=O)NCC1CC[NH+](CCO)CC1)[N@H+](C)C1CC1 ZINC000342099620 156007090 /nfs/dbraw/zinc/00/70/90/156007090.db2.gz BMQYKLBCPDWFPO-CYBMUJFWSA-N 2 0 340.468 -0.594 20 0 EBADRP COC(=O)[C@H]1CC[NH+](CCOCC[N@H+]2CC[C@H](C(=O)OC)C2)C1 ZINC000343594174 156146945 /nfs/dbraw/zinc/14/69/45/156146945.db2.gz HMDGARLCOPLCSN-KBPBESRZSA-N 2 0 328.409 -0.007 20 0 EBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)C1 ZINC000343888828 156176933 /nfs/dbraw/zinc/17/69/33/156176933.db2.gz KVOZNIIZJDGCJL-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000343882626 156177002 /nfs/dbraw/zinc/17/70/02/156177002.db2.gz DWSFURLRGBJWNY-UKRRQHHQSA-N 2 0 338.452 -0.482 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH+](C)[C@@H]2C)C1 ZINC000343883651 156178097 /nfs/dbraw/zinc/17/80/97/156178097.db2.gz FVJLRTCQIZFDQK-HZSPNIEDSA-N 2 0 326.441 -0.578 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)C1 ZINC000343928623 156190374 /nfs/dbraw/zinc/19/03/74/156190374.db2.gz WBJQXHSYBOWRNR-HNNXBMFYSA-N 2 0 340.468 -0.188 20 0 EBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000344630034 156249358 /nfs/dbraw/zinc/24/93/58/156249358.db2.gz LYHDBVSQBJNAFC-UHFFFAOYSA-N 2 0 340.468 -0.639 20 0 EBADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000344631217 156249402 /nfs/dbraw/zinc/24/94/02/156249402.db2.gz OYIXWBITCPEGGK-HNNXBMFYSA-N 2 0 340.468 -0.783 20 0 EBADRP C[C@@H]1[C@H](NC(=O)C(=O)NCC2CC[NH+](CCO)CC2)CCC[N@@H+]1C ZINC000344662252 156253813 /nfs/dbraw/zinc/25/38/13/156253813.db2.gz GPALYPSHWZOGOS-UKRRQHHQSA-N 2 0 340.468 -0.594 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000345245009 156315892 /nfs/dbraw/zinc/31/58/92/156315892.db2.gz COWRVMMDAVRAAL-KZNAEPCWSA-N 2 0 349.523 -0.139 20 0 EBADRP COC[C@]1(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CCC[NH2+]1 ZINC000357256276 157129634 /nfs/dbraw/zinc/12/96/34/157129634.db2.gz KCRCCYLLVYHBET-XJKSGUPXSA-N 2 0 326.441 -0.719 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000357575183 157156220 /nfs/dbraw/zinc/15/62/20/157156220.db2.gz JNVUAYROEXYJBF-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2cccc(-n3ccnc3)c2)C1 ZINC000358086439 157208281 /nfs/dbraw/zinc/20/82/81/157208281.db2.gz CMGKUWDHJYDCHC-QGZVFWFLSA-N 2 0 343.387 -0.006 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000358569405 157260954 /nfs/dbraw/zinc/26/09/54/157260954.db2.gz LJDJIHZCKFQZTM-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000358573433 157263432 /nfs/dbraw/zinc/26/34/32/157263432.db2.gz RNUZSCOXVXDQJE-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000358669324 157269348 /nfs/dbraw/zinc/26/93/48/157269348.db2.gz ZERHUQWEQLXMQY-MRXNPFEDSA-N 2 0 327.473 -0.622 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000358694552 157271909 /nfs/dbraw/zinc/27/19/09/157271909.db2.gz SQELZKKGCXREKV-KRWDZBQOSA-N 2 0 341.500 -0.230 20 0 EBADRP CO[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)[C@@H](C[NH3+])C1 ZINC000359210013 157302679 /nfs/dbraw/zinc/30/26/79/157302679.db2.gz IOXIVYWQWJULHP-MGPQQGTHSA-N 2 0 326.441 -0.639 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000360278096 157371627 /nfs/dbraw/zinc/37/16/27/157371627.db2.gz HGMDREVMJRUKFZ-HNNXBMFYSA-N 2 0 340.468 -0.375 20 0 EBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000360278392 157371650 /nfs/dbraw/zinc/37/16/50/157371650.db2.gz IWAYSNNMKUCPAS-TZMCWYRMSA-N 2 0 326.441 -0.720 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000360278438 157372633 /nfs/dbraw/zinc/37/26/33/157372633.db2.gz JSKMNDFYSPUIMG-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000418936812 418948153 /nfs/dbraw/zinc/94/81/53/418948153.db2.gz KJOVPPNGDPMGQB-MJBXVCDLSA-N 2 0 328.457 -0.202 20 0 EBADRP C[C@H](O)CN1CCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)CC1 ZINC000410471333 419031289 /nfs/dbraw/zinc/03/12/89/419031289.db2.gz GBJKZHBOGSSLKW-KBPBESRZSA-N 2 0 326.441 -0.936 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000410502028 419035030 /nfs/dbraw/zinc/03/50/30/419035030.db2.gz GBSKQNJXBWUDJH-UHFFFAOYSA-N 2 0 328.457 -0.423 20 0 EBADRP CC[NH+](CC)CCN(C(=O)[C@@H](C[NH3+])OC)[C@H]1CCS(=O)(=O)C1 ZINC000648149315 418983478 /nfs/dbraw/zinc/98/34/78/418983478.db2.gz MZRIREFYNQSHKB-QWHCGFSZSA-N 2 0 335.470 -0.682 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653115396 418989683 /nfs/dbraw/zinc/98/96/83/418989683.db2.gz NRPJDRDJOIGFIN-VBQJREDUSA-N 2 0 338.452 -0.719 20 0 EBADRP C[NH+](C)CCOc1cc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)ccn1 ZINC000655295712 418992010 /nfs/dbraw/zinc/99/20/10/418992010.db2.gz HPBAKUVNZZWXHH-LSDHHAIUSA-N 2 0 334.420 -0.087 20 0 EBADRP C[NH+](C)CC[C@@H](N)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000653137790 418994097 /nfs/dbraw/zinc/99/40/97/418994097.db2.gz TUPAVUCJUDZHMP-MNOVXSKESA-N 2 0 325.379 -0.782 20 0 EBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000653150166 418996086 /nfs/dbraw/zinc/99/60/86/418996086.db2.gz STAIZIRGHFAVNI-CVEARBPZSA-N 2 0 325.501 -0.106 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000662930884 419006529 /nfs/dbraw/zinc/00/65/29/419006529.db2.gz WZKCJXLBVOEFAI-CYBMUJFWSA-N 2 0 328.457 -0.249 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000662939072 419007392 /nfs/dbraw/zinc/00/73/92/419007392.db2.gz AXOGYTHWGQHEQR-ZDUSSCGKSA-N 2 0 326.441 -0.637 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650920115 419089084 /nfs/dbraw/zinc/08/90/84/419089084.db2.gz NUEYZQHVVJKSHM-UHFFFAOYSA-N 2 0 343.472 -0.630 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000647594195 419121308 /nfs/dbraw/zinc/12/13/08/419121308.db2.gz PIPXCAFZNAIKGK-IHRRRGAJSA-N 2 0 339.484 -0.487 20 0 EBADRP CN1CCN(C(=O)CC[NH2+]C[C@H](O)COCc2ccco2)CC1 ZINC000644563317 419169009 /nfs/dbraw/zinc/16/90/09/419169009.db2.gz DZASTIHDJLPZRK-AWEZNQCLSA-N 2 0 325.409 -0.089 20 0 EBADRP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000652692053 419180643 /nfs/dbraw/zinc/18/06/43/419180643.db2.gz HRBWKFPLLZOOCS-MRXNPFEDSA-N 2 0 348.447 -0.141 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)C[C@H]1C[NH3+] ZINC000652682146 419251220 /nfs/dbraw/zinc/25/12/20/419251220.db2.gz CDKJUHNVGLYOGM-RRFJBIMHSA-N 2 0 340.468 -0.201 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@H]1C[NH3+] ZINC000652687710 419258296 /nfs/dbraw/zinc/25/82/96/419258296.db2.gz KJVDHPBFLWVHQZ-UMVBOHGHSA-N 2 0 338.452 -0.591 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H]1C[NH3+] ZINC000652687709 419258572 /nfs/dbraw/zinc/25/85/72/419258572.db2.gz KJVDHPBFLWVHQZ-GZBFAFLISA-N 2 0 338.452 -0.591 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@H]1C[NH3+] ZINC000652687773 419258656 /nfs/dbraw/zinc/25/86/56/419258656.db2.gz MDQASEMVTSEOIT-LXTVHRRPSA-N 2 0 338.452 -0.448 20 0 EBADRP C[C@H](O)[C@H]1CCN(c2cc(N3CC([N@@H+]4CC[C@@H](O)C4)C3)ncn2)C1 ZINC000651449148 419199118 /nfs/dbraw/zinc/19/91/18/419199118.db2.gz CXOOEYCIDMJDQC-KCQAQPDRSA-N 2 0 333.436 -0.061 20 0 EBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)C[C@H]2C[NH2+]CCO2)c1 ZINC000647700610 419213447 /nfs/dbraw/zinc/21/34/47/419213447.db2.gz QHADHPPPRMDMOE-LBPRGKRZSA-N 2 0 342.421 -0.759 20 0 EBADRP CC1(OCC(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)C[NH2+]C1 ZINC000647703149 419215880 /nfs/dbraw/zinc/21/58/80/419215880.db2.gz RIWSYSHCKFBVIU-UHFFFAOYSA-N 2 0 342.421 -0.759 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)C1 ZINC000339723224 419268159 /nfs/dbraw/zinc/26/81/59/419268159.db2.gz CVFZIZLPDRJMFK-LSDHHAIUSA-N 2 0 342.484 -0.084 20 0 EBADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)NCCN3CC[NH2+]CC3)C2)C1 ZINC000652201753 419230981 /nfs/dbraw/zinc/23/09/81/419230981.db2.gz OSAODVOAEKBCFR-ARFHVFGLSA-N 2 0 339.484 -0.181 20 0 EBADRP CN(C[C@H](O)CN1CCOCC1)C(=O)NCCC1CC[NH2+]CC1 ZINC000652314825 419233273 /nfs/dbraw/zinc/23/32/73/419233273.db2.gz HKQDPMNIVQJAGS-HNNXBMFYSA-N 2 0 328.457 -0.289 20 0 EBADRP Cn1c(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc(=O)n(C)c1=O ZINC000652361659 419233631 /nfs/dbraw/zinc/23/36/31/419233631.db2.gz LWLMFBWMHBKCRV-NWANDNLSSA-N 2 0 336.436 -0.055 20 0 EBADRP COCCOCCN1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000652364508 419234237 /nfs/dbraw/zinc/23/42/37/419234237.db2.gz VIGGSTBKJRMCJH-UHFFFAOYSA-N 2 0 328.457 -0.911 20 0 EBADRP CS(=O)(=O)N1CCN(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647786132 419294990 /nfs/dbraw/zinc/29/49/90/419294990.db2.gz IUDXMABPEJATTR-RRFJBIMHSA-N 2 0 330.498 -0.459 20 0 EBADRP O=C([C@H]1CCC[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1)N1CC[NH2+]CC1 ZINC000647825573 419308864 /nfs/dbraw/zinc/30/88/64/419308864.db2.gz HOMXMYDMCCDZSS-YESZJQIVSA-N 2 0 336.480 -0.007 20 0 EBADRP CC(C)([NH3+])c1noc(CN2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000647824817 419309548 /nfs/dbraw/zinc/30/95/48/419309548.db2.gz BDZJURYRANEHBQ-LBPRGKRZSA-N 2 0 336.440 -0.093 20 0 EBADRP CC[C@H](C(=O)N(CCN1CC[NH+](C)CC1)CC(=O)OC)[NH+](C)C ZINC000413775047 419309604 /nfs/dbraw/zinc/30/96/04/419309604.db2.gz UGHURHDQCSSKLW-CQSZACIVSA-N 2 0 328.457 -0.424 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](CC)CC2)C[C@H]1C[NH3+] ZINC000652726816 419320746 /nfs/dbraw/zinc/32/07/46/419320746.db2.gz PHNUIGGCGSRJGB-ZIAGYGMSSA-N 2 0 326.441 -0.637 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C[C@H]1C[NH3+] ZINC000652736449 419351204 /nfs/dbraw/zinc/35/12/04/419351204.db2.gz GGKUJMATVBQYSC-CPUCHLNUSA-N 2 0 338.452 -0.637 20 0 EBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000340418340 419355876 /nfs/dbraw/zinc/35/58/76/419355876.db2.gz AJPYFDDTJNXBOK-WFASDCNBSA-N 2 0 330.498 -0.004 20 0 EBADRP CN(C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)C1C[NH2+]C1 ZINC000415731194 419419924 /nfs/dbraw/zinc/41/99/24/419419924.db2.gz FSIFIFXQORJLDY-UHFFFAOYSA-N 2 0 345.447 -0.197 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000519539346 419533674 /nfs/dbraw/zinc/53/36/74/419533674.db2.gz DNKKVJXCDLCUCH-CQSZACIVSA-N 2 0 326.441 -0.589 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC(C)(C)O1 ZINC000519689741 419538250 /nfs/dbraw/zinc/53/82/50/419538250.db2.gz OIIOUFBOIBTLDS-AWEZNQCLSA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@@H](NC(=O)C(=O)N(C)CC[NH+]1CCCCC1)[C@H]1CN(C)CCO1 ZINC000653427925 419554392 /nfs/dbraw/zinc/55/43/92/419554392.db2.gz VOTPSRNJJDGVPQ-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C(=O)N1CCCC[C@@H]1C ZINC000518964604 419511462 /nfs/dbraw/zinc/51/14/62/419511462.db2.gz BSHCTDZEYRWLKG-JYJNAYRXSA-N 2 0 326.485 -0.026 20 0 EBADRP Cn1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1=O ZINC000526132198 419596472 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/nfs/dbraw/zinc/88/72/57/420887257.db2.gz XJCZORDYCJHHNP-MCIONIFRSA-N 2 0 326.441 -0.720 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656307472 420887334 /nfs/dbraw/zinc/88/73/34/420887334.db2.gz POZXZTWLGPYMLU-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000657574568 420928668 /nfs/dbraw/zinc/92/86/68/420928668.db2.gz ZXGJTSBYADWZRF-ZDUSSCGKSA-N 2 0 325.457 -0.554 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000659679077 421013255 /nfs/dbraw/zinc/01/32/55/421013255.db2.gz DEUBNTOTHQJNGN-AEGPPILISA-N 2 0 340.468 -0.405 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659681832 421013857 /nfs/dbraw/zinc/01/38/57/421013857.db2.gz BMZPQBBFVBTKRU-ZDUSSCGKSA-N 2 0 325.457 -0.922 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000659679287 421014078 /nfs/dbraw/zinc/01/40/78/421014078.db2.gz GMZCMHRBFWBOMZ-GFCCVEGCSA-N 2 0 337.424 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421022350 /nfs/dbraw/zinc/02/23/50/421022350.db2.gz VYONYLPNIVFNCE-CABCVRRESA-N 2 0 340.468 -0.010 20 0 EBADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659724431 421022518 /nfs/dbraw/zinc/02/25/18/421022518.db2.gz VYONYLPNIVFNCE-HUUCEWRRSA-N 2 0 340.468 -0.010 20 0 EBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659739374 421025774 /nfs/dbraw/zinc/02/57/74/421025774.db2.gz RVDISRUAQMVCEO-HUUCEWRRSA-N 2 0 338.452 -0.434 20 0 EBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662340778 421085617 /nfs/dbraw/zinc/08/56/17/421085617.db2.gz IIKPOKRZFDOZEO-UHFFFAOYSA-N 2 0 335.408 -0.355 20 0 EBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000662404356 421086934 /nfs/dbraw/zinc/08/69/34/421086934.db2.gz GOCQVWUPZMRVNZ-ZWNOBZJWSA-N 2 0 336.358 -0.158 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000662905274 421107719 /nfs/dbraw/zinc/10/77/19/421107719.db2.gz AYZLBRKWDHVTDQ-UONOGXRCSA-N 2 0 333.440 -0.850 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000662938582 421112649 /nfs/dbraw/zinc/11/26/49/421112649.db2.gz XRNXDUCDCBQAHN-UHFFFAOYSA-N 2 0 328.457 -0.513 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CCO1 ZINC000662947957 421115689 /nfs/dbraw/zinc/11/56/89/421115689.db2.gz CUUHLJWQJUXOMO-OAHLLOKOSA-N 2 0 340.468 -0.247 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CCO1 ZINC000662947956 421115890 /nfs/dbraw/zinc/11/58/90/421115890.db2.gz CUUHLJWQJUXOMO-HNNXBMFYSA-N 2 0 340.468 -0.247 20 0 EBADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662950943 421116277 /nfs/dbraw/zinc/11/62/77/421116277.db2.gz PUAJVQQOKJTAGS-ILXRZTDVSA-N 2 0 340.468 -0.249 20 0 EBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000662951970 421116427 /nfs/dbraw/zinc/11/64/27/421116427.db2.gz BBAXHPXZACJORM-KKUMJFAQSA-N 2 0 340.468 -0.249 20 0 EBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662948114 421116737 /nfs/dbraw/zinc/11/67/37/421116737.db2.gz UHYITSBFXUAOQY-KBPBESRZSA-N 2 0 326.441 -0.624 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000663479253 421131868 /nfs/dbraw/zinc/13/18/68/421131868.db2.gz FABPELMNXOWSFO-ILXRZTDVSA-N 2 0 328.457 -0.341 20 0 EBADRP O=C(CC[N@H+]1CCC(CO)(CO)C1)N1CCN(c2ccccn2)CC1 ZINC000661943236 421076938 /nfs/dbraw/zinc/07/69/38/421076938.db2.gz JOTJPNHACNDQDB-UHFFFAOYSA-N 2 0 348.447 -0.203 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H](C2CC2)[NH+](C)C)n1 ZINC000355427927 421192831 /nfs/dbraw/zinc/19/28/31/421192831.db2.gz VAPQRDQWRJLYLK-ZDUSSCGKSA-N 2 0 336.440 -0.160 20 0 EBADRP Cc1cc(NC(=O)CC[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)no1 ZINC000362831701 421245834 /nfs/dbraw/zinc/24/58/34/421245834.db2.gz SHLLIQWFDAYOGC-ZDUSSCGKSA-N 2 0 335.408 0.208 20 0 EBADRP [NH3+]CCN(CCO)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000416835978 264809179 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SQZLSCYHBCLGDV-CYBMUJFWSA-N 2 0 347.419 -0.441 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000423390128 265002879 /nfs/dbraw/zinc/00/28/79/265002879.db2.gz VUJAMGGOPQCFJB-CHWSQXEVSA-N 2 0 347.419 -0.456 20 0 EBADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423414649 265002974 /nfs/dbraw/zinc/00/29/74/265002974.db2.gz NHCZWXAHSINYLI-CQSZACIVSA-N 2 0 328.457 -0.247 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000423442880 265005371 /nfs/dbraw/zinc/00/53/71/265005371.db2.gz KFIKUSDFFAYCRP-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)C1 ZINC000423451412 265005398 /nfs/dbraw/zinc/00/53/98/265005398.db2.gz UZHWBMAAHPNKQL-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP COCC(C)(C)[NH+]1CCN([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000424520792 265070751 /nfs/dbraw/zinc/07/07/51/265070751.db2.gz CQSNLXKSXTVGAB-CQSZACIVSA-N 2 0 340.468 -0.282 20 0 EBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424546422 265075019 /nfs/dbraw/zinc/07/50/19/265075019.db2.gz NGAQOCJURXKTIN-LSDHHAIUSA-N 2 0 348.451 -0.773 20 0 EBADRP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430618468 265150152 /nfs/dbraw/zinc/15/01/52/265150152.db2.gz UMLIGLVGBUVRHS-QWRGUYRKSA-N 2 0 325.413 -0.850 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430631072 265150159 /nfs/dbraw/zinc/15/01/59/265150159.db2.gz SYZJYQHNCGFJDC-CHWSQXEVSA-N 2 0 339.440 -0.636 20 0 EBADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000430630449 265150990 /nfs/dbraw/zinc/15/09/90/265150990.db2.gz SDUKIKRCNAEMRO-CQSZACIVSA-N 3 0 339.484 -0.626 20 0 EBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000430895039 265155926 /nfs/dbraw/zinc/15/59/26/265155926.db2.gz RNIRJWKMRILAED-ZIAGYGMSSA-N 2 0 326.441 -0.541 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C[NH2+]C[C@H]1CCCO1 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NC(=O)N[C@@H]1CC[NH+](CCCCC[N@H+]2CC[C@@H](NC(N)=O)C2)C1 ZINC000342873065 295085605 /nfs/dbraw/zinc/08/56/05/295085605.db2.gz FDMWLRXSEBNFQL-CHWSQXEVSA-N 2 0 326.445 -0.358 20 0 EBADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCOCC[NH+](C)C ZINC000360271692 300218064 /nfs/dbraw/zinc/21/80/64/300218064.db2.gz KNEOFOJJMJVFBK-UONOGXRCSA-N 2 0 328.457 -0.521 20 0 EBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668672626 545732908 /nfs/dbraw/zinc/73/29/08/545732908.db2.gz VXQHCCIVKLVCDI-UKRRQHHQSA-N 2 0 340.468 -0.500 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672011030 545743744 /nfs/dbraw/zinc/74/37/44/545743744.db2.gz QAWYUIYKNODVTQ-AWEZNQCLSA-N 2 0 342.484 -0.131 20 0 EBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH+](CCOC)C2)C1 ZINC000668841231 545770556 /nfs/dbraw/zinc/77/05/56/545770556.db2.gz HRNKUOSZQFQGJQ-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)[C@H](C)C[NH2+]1 ZINC000669486533 545879031 /nfs/dbraw/zinc/87/90/31/545879031.db2.gz UQAIMRSKWJJBFW-BZUAXINKSA-N 2 0 339.484 -0.215 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000667812051 546063709 /nfs/dbraw/zinc/06/37/09/546063709.db2.gz CBXADQLELYXQEU-STQMWFEESA-N 2 0 339.440 -0.541 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000673351076 546137558 /nfs/dbraw/zinc/13/75/58/546137558.db2.gz JJVBYOVVJVDVKC-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CCC[NH+](C)C2)CCCO1 ZINC000673427709 546140108 /nfs/dbraw/zinc/14/01/08/546140108.db2.gz KKFDOKMYSWGDQH-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[NH+]1CCN(CC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000673672779 546145820 /nfs/dbraw/zinc/14/58/20/546145820.db2.gz JHRMJJSQCAGBNH-QGZVFWFLSA-N 2 0 337.512 -0.138 20 0 EBADRP CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000673878653 546150839 /nfs/dbraw/zinc/15/08/39/546150839.db2.gz NJOQABKTLVJIHN-HNNXBMFYSA-N 2 0 327.473 -0.404 20 0 EBADRP O[C@@H]1C[C@H](O)C[NH+](Cc2ccc(C[N@H+]3C[C@H](O)C[C@H](O)C3)cc2)C1 ZINC000674495229 546166775 /nfs/dbraw/zinc/16/67/75/546166775.db2.gz HODPHJXJNAIJAN-USTZCAOPSA-N 2 0 336.432 -0.458 20 0 EBADRP CC[N@@H+]1CC[C@H]([NH2+]CCN2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000675816445 546189972 /nfs/dbraw/zinc/18/99/72/546189972.db2.gz CLLLBSFYMCNCSG-GJZGRUSLSA-N 2 0 332.514 -0.117 20 0 EBADRP CC[N@@H+]1CC[C@@H]([NH2+]CCN2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000675816447 546190248 /nfs/dbraw/zinc/19/02/48/546190248.db2.gz CLLLBSFYMCNCSG-LSDHHAIUSA-N 2 0 332.514 -0.117 20 0 EBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676099679 546196097 /nfs/dbraw/zinc/19/60/97/546196097.db2.gz LCXJNGJPFUULNO-WFASDCNBSA-N 2 0 348.451 -0.018 20 0 EBADRP O=C(NCC[NH+]1CCC1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000677014795 546223374 /nfs/dbraw/zinc/22/33/74/546223374.db2.gz PDETYOQOYIPKKZ-HNNXBMFYSA-N 2 0 325.457 -0.602 20 0 EBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@H](NC(N)=O)C3)C2)CC1 ZINC000677831514 546236576 /nfs/dbraw/zinc/23/65/76/546236576.db2.gz ZWCRVBGSDOJEMT-QWHCGFSZSA-N 2 0 338.456 -0.393 20 0 EBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)CC1=O ZINC000684174274 546366263 /nfs/dbraw/zinc/36/62/63/546366263.db2.gz GKJWDOQSNTUNJD-PBHICJAKSA-N 2 0 340.468 -0.688 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891480349 582556921 /nfs/dbraw/zinc/55/69/21/582556921.db2.gz BCHSFSBGNTUDJS-IHRRRGAJSA-N 2 0 325.457 -0.034 20 0 EBADRP CCN(C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000891563510 582558500 /nfs/dbraw/zinc/55/85/00/582558500.db2.gz IHLFCAXTTQZJMJ-HZPDHXFCSA-N 2 0 339.484 -0.214 20 0 EBADRP O=C(NCC1CC[NH2+]CC1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891975716 582564902 /nfs/dbraw/zinc/56/49/02/582564902.db2.gz BSVVPEVUVKXUFH-MCIONIFRSA-N 2 0 337.424 -0.438 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C[NH2+]1 ZINC000892292380 582573554 /nfs/dbraw/zinc/57/35/54/582573554.db2.gz PGMKBVIOPMZATA-ITGHMWBKSA-N 2 0 337.424 -0.297 20 0 EBADRP CN1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@@H](C[NH3+])C1 ZINC000892754510 582586692 /nfs/dbraw/zinc/58/66/92/582586692.db2.gz ARIVTBBLKVVOBW-KBPBESRZSA-N 2 0 325.457 -0.571 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(C)CC[NH+](C)CC1 ZINC000892943784 582590579 /nfs/dbraw/zinc/59/05/79/582590579.db2.gz JGXHAFAFYPBMBD-MRXNPFEDSA-N 2 0 341.500 -0.014 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCC(O)CC1 ZINC000892944002 582590775 /nfs/dbraw/zinc/59/07/75/582590775.db2.gz MQNWWLGJJYHURL-AWEZNQCLSA-N 2 0 328.457 -0.147 20 0 EBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000896088703 582657569 /nfs/dbraw/zinc/65/75/69/582657569.db2.gz PXLOKAQZTQFNCM-ZFWWWQNUSA-N 2 0 338.452 -0.589 20 0 EBADRP CN1CCN(C(=O)N2CCN(C(=O)CCc3ncc[nH]3)CC2)CC1 ZINC000896232286 582660542 /nfs/dbraw/zinc/66/05/42/582660542.db2.gz IEZXVGBLCWYBQO-UHFFFAOYSA-N 2 0 334.424 -0.146 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=S)NCC[NH+](C)C)CC1 ZINC000728791813 582676592 /nfs/dbraw/zinc/67/65/92/582676592.db2.gz HWXPMPGWDGLDGM-UHFFFAOYSA-N 2 0 329.514 -0.092 20 0 EBADRP CC[NH+]1CCN(CCCNC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900191832 582764130 /nfs/dbraw/zinc/76/41/30/582764130.db2.gz GHACOUAAOQXLOI-QGZVFWFLSA-N 2 0 326.485 -0.023 20 0 EBADRP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000900228314 582765156 /nfs/dbraw/zinc/76/51/56/582765156.db2.gz BIKGIAASFPKSLE-MAUKXSAKSA-N 2 0 347.463 -0.095 20 0 EBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900641022 582776165 /nfs/dbraw/zinc/77/61/65/582776165.db2.gz IBGFVTFIFUNNPW-WMLDXEAASA-N 2 0 340.468 -0.500 20 0 EBADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900696072 582777839 /nfs/dbraw/zinc/77/78/39/582777839.db2.gz YBJZPSLUNRQYRQ-NVXWUHKLSA-N 2 0 326.485 -0.169 20 0 EBADRP CN1CCN(S(=O)(=O)N2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)CC1 ZINC000903430935 582808660 /nfs/dbraw/zinc/80/86/60/582808660.db2.gz JRAICGYPYHEAPN-CABCVRRESA-N 2 0 345.513 -0.776 20 0 EBADRP [NH3+][C@@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC[C@@H]1C(F)(F)F ZINC000903581217 582812279 /nfs/dbraw/zinc/81/22/79/582812279.db2.gz BODHCLNEBKUJFJ-LPEHRKFASA-N 2 0 331.360 -0.484 20 0 EBADRP [NH3+][C@@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC[C@@H]1C(F)(F)F ZINC000903581216 582812358 /nfs/dbraw/zinc/81/23/58/582812358.db2.gz BODHCLNEBKUJFJ-KXUCPTDWSA-N 2 0 331.360 -0.484 20 0 EBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000903720240 582814308 /nfs/dbraw/zinc/81/43/08/582814308.db2.gz JFJBXNMRHVVBNO-HNNXBMFYSA-N 2 0 338.452 -0.493 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903735766 582816071 /nfs/dbraw/zinc/81/60/71/582816071.db2.gz DJZUXKZFJZZCCC-AEFFLSMTSA-N 2 0 336.480 -0.005 20 0 EBADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000903769850 582817905 /nfs/dbraw/zinc/81/79/05/582817905.db2.gz PSQBCDKZYDRULJ-OAGGEKHMSA-N 3 0 338.452 -0.300 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=S)NCCCN2CCOCC2)C1 ZINC000730734034 582831679 /nfs/dbraw/zinc/83/16/79/582831679.db2.gz PRASGFKLIDBRJA-CQSZACIVSA-N 2 0 330.498 -0.107 20 0 EBADRP NC(=O)NC(=O)OCCC[NH+]1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000772218629 583355824 /nfs/dbraw/zinc/35/58/24/583355824.db2.gz QXRCCCPLCGQRNU-LBPRGKRZSA-N 2 0 341.412 -0.405 20 0 EBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000793797169 583570081 /nfs/dbraw/zinc/57/00/81/583570081.db2.gz YSHQCGHIOVIWPC-SOUVJXGZSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000803203243 583628154 /nfs/dbraw/zinc/62/81/54/583628154.db2.gz BWLCNVADSWDGTL-MCIONIFRSA-N 2 0 326.441 -0.578 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000803180005 583628331 /nfs/dbraw/zinc/62/83/31/583628331.db2.gz QUZRWEDUERQBOX-BPLDGKMQSA-N 2 0 336.436 -0.681 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC[N@@H+]1C ZINC000804054726 583638700 /nfs/dbraw/zinc/63/87/00/583638700.db2.gz WBWHYPCKQUQLDX-KBUPBQIOSA-N 2 0 338.452 -0.435 20 0 EBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000804056441 583639577 /nfs/dbraw/zinc/63/95/77/583639577.db2.gz KSVDGLHPAOTMEV-ILXRZTDVSA-N 2 0 338.452 -0.482 20 0 EBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804059234 583640983 /nfs/dbraw/zinc/64/09/83/583640983.db2.gz IFMIRZRNABDKMV-LSDHHAIUSA-N 2 0 338.452 -0.480 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C[C@H]2[NH3+])cn1 ZINC000818647580 583746656 /nfs/dbraw/zinc/74/66/56/583746656.db2.gz AQLDABNSCPZDRK-FXUDXRNXSA-N 2 0 348.451 -0.281 20 0 EBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C[NH+]1CCCC1 ZINC000822661882 583815940 /nfs/dbraw/zinc/81/59/40/583815940.db2.gz ZNLIWGWFLJMUQL-UHFFFAOYSA-N 2 0 326.441 -0.669 20 0 EBADRP CCO[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)C[NH+](C)C ZINC000831743433 583991039 /nfs/dbraw/zinc/99/10/39/583991039.db2.gz IQYQGGUFKRMPRL-UONOGXRCSA-N 2 0 328.457 -0.521 20 0 EBADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NC3C[NH2+]C3)cc2)CC1 ZINC000841175224 584052361 /nfs/dbraw/zinc/05/23/61/584052361.db2.gz QHHWHBABNCFESD-UHFFFAOYSA-N 2 0 331.420 -0.145 20 0 EBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000842165547 584059092 /nfs/dbraw/zinc/05/90/92/584059092.db2.gz ZFTDBYWIKGKOCH-MGPQQGTHSA-N 2 0 326.441 -0.545 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000842227058 584061162 /nfs/dbraw/zinc/06/11/62/584061162.db2.gz XDPXJFMAVGDRFI-HNNXBMFYSA-N 2 0 339.484 -0.612 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H](O)COc2cccc(F)c2)CC1 ZINC000843064646 584070896 /nfs/dbraw/zinc/07/08/96/584070896.db2.gz HQNAVWRTIODMAV-CVEARBPZSA-N 2 0 341.427 -0.237 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867324180 584071832 /nfs/dbraw/zinc/07/18/32/584071832.db2.gz UCHMRMIHHQNJQC-HUUCEWRRSA-N 3 0 341.500 -0.796 20 0 EBADRP CN(CCCNC(=O)C[N@H+](C)C1CCC([NH3+])CC1)S(C)(=O)=O ZINC000843355046 584076361 /nfs/dbraw/zinc/07/63/61/584076361.db2.gz KJZFCIBUKFJNQX-UHFFFAOYSA-N 2 0 334.486 -0.414 20 0 EBADRP C[C@@H](O)CN(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867405106 584122642 /nfs/dbraw/zinc/12/26/42/584122642.db2.gz FUVZINVNFOAGMA-MGPQQGTHSA-N 2 0 328.457 -0.977 20 0 EBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000848933172 584163786 /nfs/dbraw/zinc/16/37/86/584163786.db2.gz ZYRUMXAQULLEAF-APIJFGDWSA-N 2 0 338.452 -0.578 20 0 EBADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)[C@H](C[NH3+])C1 ZINC000851684872 584198304 /nfs/dbraw/zinc/19/83/04/584198304.db2.gz MJLDXHASGWPSLC-APIJFGDWSA-N 2 0 338.452 -0.448 20 0 EBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000851689974 584199537 /nfs/dbraw/zinc/19/95/37/584199537.db2.gz XMQKERHQDBMABA-HOCLYGCPSA-N 2 0 347.463 -0.618 20 0 EBADRP [NH3+]CCN(CCO)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000851689863 584199548 /nfs/dbraw/zinc/19/95/48/584199548.db2.gz SSVLYVLKUWEYGC-ZDUSSCGKSA-N 2 0 326.441 -0.711 20 0 EBADRP CCOC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(O)(C[NH3+])CC2)CC1 ZINC000852752232 584215321 /nfs/dbraw/zinc/21/53/21/584215321.db2.gz QYQBBICYABPYGK-CYBMUJFWSA-N 2 0 342.440 -0.539 20 0 EBADRP C[NH+]1CCN(c2ccc(CNC(=O)C3=NO[C@@H](C[NH3+])C3)cn2)CC1 ZINC000852873103 584218565 /nfs/dbraw/zinc/21/85/65/584218565.db2.gz PFCGIZYSOJHZTG-CYBMUJFWSA-N 2 0 332.408 -0.447 20 0 EBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]1C[N@@H+]3CCC[C@H]3CO1)C2 ZINC000857102381 584274340 /nfs/dbraw/zinc/27/43/40/584274340.db2.gz QUXNXJKQNHUCKL-FHIRATQRSA-N 2 0 336.436 -0.694 20 0 EBADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000861545180 584331041 /nfs/dbraw/zinc/33/10/41/584331041.db2.gz WHXAFCJYDDBSCU-CYBMUJFWSA-N 2 0 331.420 -0.145 20 0 EBADRP O=C(N[C@H]1CCC[NH2+]C1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861638505 584332113 /nfs/dbraw/zinc/33/21/13/584332113.db2.gz JWTRPZARGIRNBN-YUTCNCBUSA-N 2 0 337.424 -0.295 20 0 EBADRP CC[C@@H]([NH3+])CNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861644585 584332507 /nfs/dbraw/zinc/33/25/07/584332507.db2.gz MJDNQWJSRJCUIY-RTXFEEFZSA-N 2 0 325.413 -0.310 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000861727980 584335440 /nfs/dbraw/zinc/33/54/40/584335440.db2.gz BOOKIVMLPVUONY-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000861727982 584335625 /nfs/dbraw/zinc/33/56/25/584335625.db2.gz BOOKIVMLPVUONY-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000861749574 584337269 /nfs/dbraw/zinc/33/72/69/584337269.db2.gz CSIZXYVCEWHEET-NWANDNLSSA-N 2 0 338.452 -0.387 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC000866771303 584406337 /nfs/dbraw/zinc/40/63/37/584406337.db2.gz CNSDRLMGAJQJGX-OAHLLOKOSA-N 2 0 330.498 -0.218 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)CC[C@@H]21 ZINC000868410928 584428928 /nfs/dbraw/zinc/42/89/28/584428928.db2.gz QNJQHFVXZHAKHZ-PMPSAXMXSA-N 2 0 349.479 -0.955 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@H]1C[NH+](C)C ZINC000870023378 584443013 /nfs/dbraw/zinc/44/30/13/584443013.db2.gz WAZABHHQSNVLFP-ZIAGYGMSSA-N 2 0 346.497 -0.780 20 0 EBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000871809854 584457314 /nfs/dbraw/zinc/45/73/14/584457314.db2.gz GGNDIZMWDZQLHU-QWHCGFSZSA-N 2 0 333.454 -0.947 20 0 EBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000871811702 584457545 /nfs/dbraw/zinc/45/75/45/584457545.db2.gz UGGUZLYXQYSXPS-AWEZNQCLSA-N 2 0 346.497 -0.337 20 0 EBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000872190937 584459170 /nfs/dbraw/zinc/45/91/70/584459170.db2.gz GCNBOKBOKDXEDL-OIPACUDHSA-N 2 0 334.464 -0.003 20 0 EBADRP COC(=O)N1CC(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000875398636 584498596 /nfs/dbraw/zinc/49/85/96/584498596.db2.gz KTHKPCPBEJEKII-CHWSQXEVSA-N 2 0 341.456 -0.182 20 0 EBADRP CCN1C[C@@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1=O ZINC000875643332 584504020 /nfs/dbraw/zinc/50/40/20/584504020.db2.gz VZCWXIUQKLDHIM-KFWWJZLASA-N 2 0 339.484 -0.012 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2c(C[NH3+])cnn2C)CC1 ZINC000876752768 584522063 /nfs/dbraw/zinc/52/20/63/584522063.db2.gz YIYBDHDOYSUHIM-UHFFFAOYSA-N 2 0 336.440 -0.495 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876752483 584522071 /nfs/dbraw/zinc/52/20/71/584522071.db2.gz REZFIAOUYZEQIP-UKRRQHHQSA-N 2 0 326.416 -0.299 20 0 EBADRP [NH3+]C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1(F)F ZINC000876769724 584523192 /nfs/dbraw/zinc/52/31/92/584523192.db2.gz YRSFIWMFSZUVBK-YNEHKIRRSA-N 2 0 332.395 -0.651 20 0 EBADRP COC[C@]1(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C[NH2+]CCO1 ZINC000876783854 584524009 /nfs/dbraw/zinc/52/40/09/584524009.db2.gz PAHVFCCCHXCQIU-WBVHZDCISA-N 2 0 340.468 -0.770 20 0 EBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000876979788 584527769 /nfs/dbraw/zinc/52/77/69/584527769.db2.gz ACLFQKGRQNDWBT-KGLIPLIRSA-N 2 0 349.483 -0.586 20 0 EBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000876996796 584528202 /nfs/dbraw/zinc/52/82/02/584528202.db2.gz DVZCOSLKFAAASP-SWVJOTTGSA-N 2 0 335.452 -0.433 20 0 EBADRP COC[C@]1(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C[NH2+]CCO1 ZINC000877034011 584528801 /nfs/dbraw/zinc/52/88/01/584528801.db2.gz VBVNVDHPJXOBBS-KRWDZBQOSA-N 2 0 341.452 -0.295 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CCN1c1cc[nH+]cc1 ZINC000883640304 584604058 /nfs/dbraw/zinc/60/40/58/584604058.db2.gz LUECEFGWVJFGMR-DZGCQCFKSA-N 2 0 347.419 -0.695 20 0 EBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000883646135 584604451 /nfs/dbraw/zinc/60/44/51/584604451.db2.gz IECNHYJVRASODH-QLFBSQMISA-N 2 0 340.468 -0.500 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CCC1 ZINC000884529241 584625777 /nfs/dbraw/zinc/62/57/77/584625777.db2.gz KAXMTVHWNQNIBY-NSHDSACASA-N 2 0 332.395 -0.052 20 0 EBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884555506 584626950 /nfs/dbraw/zinc/62/69/50/584626950.db2.gz SMZGEFVUFLMWMR-NTZNESFSSA-N 2 0 344.406 -0.054 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884559895 584627299 /nfs/dbraw/zinc/62/72/99/584627299.db2.gz IGZWGJAUHNLTJD-APIJFGDWSA-N 2 0 336.436 -0.681 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884562908 584627627 /nfs/dbraw/zinc/62/76/27/584627627.db2.gz OGLWTJCEGKKFAO-UHFFFAOYSA-N 2 0 326.441 -0.575 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884587462 584628971 /nfs/dbraw/zinc/62/89/71/584628971.db2.gz JJVIQIAULSTBMT-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884598233 584628996 /nfs/dbraw/zinc/62/89/96/584628996.db2.gz WCXCTNCEQRPCEB-LSDHHAIUSA-N 2 0 338.452 -0.432 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884587132 584629077 /nfs/dbraw/zinc/62/90/77/584629077.db2.gz BDMCMZMDOSQNGH-CQSZACIVSA-N 2 0 342.484 -0.035 20 0 EBADRP CCC1([NH3+])CCN(C(=O)C(=O)NCC[N@H+](C)CCCOC)CC1 ZINC000884587671 584629104 /nfs/dbraw/zinc/62/91/04/584629104.db2.gz NUOPLTZUVKNAQK-UHFFFAOYSA-N 2 0 328.457 -0.199 20 0 EBADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000884598357 584629316 /nfs/dbraw/zinc/62/93/16/584629316.db2.gz ZAIDOHHWFZHYFG-AWEZNQCLSA-N 2 0 326.441 -0.445 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C[C@H]1C[NH3+] ZINC000884612285 584629924 /nfs/dbraw/zinc/62/99/24/584629924.db2.gz IVEYXGWBJXZLNF-LALPHHSUSA-N 2 0 328.482 -0.407 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000884643118 584631194 /nfs/dbraw/zinc/63/11/94/584631194.db2.gz XPOPQSHMWWBNEM-XGUBFFRZSA-N 2 0 338.452 -0.530 20 0 EBADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000884675248 584632952 /nfs/dbraw/zinc/63/29/52/584632952.db2.gz XCKGDMNYLDWMJK-KGLIPLIRSA-N 2 0 331.420 -0.013 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CCN1c1cc[nH+]cc1 ZINC000884706654 584634936 /nfs/dbraw/zinc/63/49/36/584634936.db2.gz KEILIPKOKNXVKK-IUODEOHRSA-N 2 0 331.420 -0.028 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CCN1c1cc[nH+]cc1 ZINC000884725919 584636726 /nfs/dbraw/zinc/63/67/26/584636726.db2.gz CIDKBYSHSRSGDC-HIFRSBDPSA-N 2 0 347.419 -0.777 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CCN1c1cc[nH+]cc1 ZINC000884789933 584637679 /nfs/dbraw/zinc/63/76/79/584637679.db2.gz FQKCLGWUKUWGAQ-VNSJNIRKSA-N 2 0 343.431 -0.013 20 0 EBADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000884816627 584638899 /nfs/dbraw/zinc/63/88/99/584638899.db2.gz ZCTNERGHRQQFAV-OAHLLOKOSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000884823822 584639355 /nfs/dbraw/zinc/63/93/55/584639355.db2.gz GPIJZWQSYLXHSN-KCQAQPDRSA-N 2 0 331.420 -0.015 20 0 EBADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N(CC[NH3+])CCO)CC1 ZINC000884976629 584642129 /nfs/dbraw/zinc/64/21/29/584642129.db2.gz VUQWFOLWCSVJAW-UHFFFAOYSA-N 2 0 328.457 -0.607 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2c3ccccc3CN2C)CCO1 ZINC000885022077 584642764 /nfs/dbraw/zinc/64/27/64/584642764.db2.gz JJXMKYKKNOFQDW-MAZHCROVSA-N 2 0 346.431 -0.136 20 0 EBADRP CN1Cc2ccccc2[C@H]1CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000885022109 584642833 /nfs/dbraw/zinc/64/28/33/584642833.db2.gz KNLYGYFJPRGDAJ-GDBMZVCRSA-N 2 0 346.431 -0.135 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885143761 584644212 /nfs/dbraw/zinc/64/42/12/584644212.db2.gz OGOBXDMFHUMPOZ-ZDUSSCGKSA-N 2 0 326.441 -0.719 20 0 EBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000885200994 584645471 /nfs/dbraw/zinc/64/54/71/584645471.db2.gz OECKEYFUXARAHS-UHFFFAOYSA-N 2 0 328.457 -0.201 20 0 EBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC2)C1 ZINC000885203868 584645810 /nfs/dbraw/zinc/64/58/10/584645810.db2.gz CLZHFBNXCJMXFU-AWEZNQCLSA-N 2 0 339.484 -0.532 20 0 EBADRP C[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000887048330 584673186 /nfs/dbraw/zinc/67/31/86/584673186.db2.gz JUQXKLKEFGOVRY-UHFFFAOYSA-N 2 0 338.383 -0.550 20 0 EBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000887084667 584676039 /nfs/dbraw/zinc/67/60/39/584676039.db2.gz CKCLFXIASDXWOM-OAHLLOKOSA-N 2 0 339.484 -0.580 20 0 EBADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000887091875 584676221 /nfs/dbraw/zinc/67/62/21/584676221.db2.gz ZLORDGRFSOGXJO-UKRRQHHQSA-N 2 0 347.419 -0.695 20 0 EBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)C1 ZINC000887091856 584676248 /nfs/dbraw/zinc/67/62/48/584676248.db2.gz ZCYWJBKCBYLCOG-KBPBESRZSA-N 2 0 331.420 -0.061 20 0 EBADRP O[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)C[NH+]1CCCC1 ZINC000738383022 598525176 /nfs/dbraw/zinc/52/51/76/598525176.db2.gz UYCPMTGFZZGHHU-VXGBXAGGSA-N 2 0 347.427 -0.849 20 0 EBADRP C[C@H](CNC(=O)C[C@]1(C(=O)NC[C@@H](C)[NH+](C)C)CC[NH2+]C1)[NH+](C)C ZINC000262047469 649986039 /nfs/dbraw/zinc/98/60/39/649986039.db2.gz URHGMIQRIJWZCK-CKEIUWERSA-N 3 0 341.500 -0.511 20 0 EBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)C[C@]2(C)C1 ZINC000904958003 650052048 /nfs/dbraw/zinc/05/20/48/650052048.db2.gz CQXXKIHRBZWELD-KIBLCYBISA-N 2 0 334.464 -0.018 20 0 EBADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000904988084 650055414 /nfs/dbraw/zinc/05/54/14/650055414.db2.gz SLVDWTRKMQGUON-QLFBSQMISA-N 2 0 338.452 -0.759 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000904988536 650055450 /nfs/dbraw/zinc/05/54/50/650055450.db2.gz URMPCQHWBOMUBW-QWHCGFSZSA-N 2 0 326.441 -0.760 20 0 EBADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000904990582 650055863 /nfs/dbraw/zinc/05/58/63/650055863.db2.gz PPJIFFXWMIRZFC-KGLIPLIRSA-N 2 0 340.468 -0.513 20 0 EBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000904990121 650055926 /nfs/dbraw/zinc/05/59/26/650055926.db2.gz OKGGEEGCLJRLNL-RBSFLKMASA-N 2 0 338.452 -0.746 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000904996726 650057258 /nfs/dbraw/zinc/05/72/58/650057258.db2.gz YBRFSCHKDVSRRO-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000905014464 650059911 /nfs/dbraw/zinc/05/99/11/650059911.db2.gz KKJFBYHGPFKJSR-HNNXBMFYSA-N 2 0 340.468 -0.377 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000905017169 650059720 /nfs/dbraw/zinc/05/97/20/650059720.db2.gz TWGPZWQWHUSDPV-CABCVRRESA-N 2 0 338.452 -0.480 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000905016573 650059960 /nfs/dbraw/zinc/05/99/60/650059960.db2.gz SRDVIDXULOAQPC-ZIAGYGMSSA-N 2 0 326.441 -0.767 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000905017743 650060535 /nfs/dbraw/zinc/06/05/35/650060535.db2.gz VUZBJGAUBFANMM-CABCVRRESA-N 2 0 338.452 -0.480 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000905023764 650061013 /nfs/dbraw/zinc/06/10/13/650061013.db2.gz VDNPZJBPUSZNLU-ZDUSSCGKSA-N 2 0 326.441 -0.624 20 0 EBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)C3CN(C)CC[NH+](C)C3)C2)CC1 ZINC000906661659 650069516 /nfs/dbraw/zinc/06/95/16/650069516.db2.gz SJRFLVMQPGYAMX-INIZCTEOSA-N 2 0 337.512 -0.236 20 0 EBADRP C[C@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)C[NH+]1CCN(C)CC1 ZINC000906676322 650070309 /nfs/dbraw/zinc/07/03/09/650070309.db2.gz CACJVPYHCANCIR-OAHLLOKOSA-N 2 0 325.501 -0.521 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906679649 650070333 /nfs/dbraw/zinc/07/03/33/650070333.db2.gz WGPHTHYIKRKEJV-UHFFFAOYSA-N 2 0 349.435 -0.438 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)cn1 ZINC000906765725 650071053 /nfs/dbraw/zinc/07/10/53/650071053.db2.gz PLQVNMKYYMSBBK-INIZCTEOSA-N 2 0 334.424 -0.262 20 0 EBADRP CN1CC[N@H+](C)CC(C(=O)N2CCC([NH+](C)CCCO)CC2)C1 ZINC000907142854 650077281 /nfs/dbraw/zinc/07/72/81/650077281.db2.gz BEZJIPMVJKQCPT-UHFFFAOYSA-N 2 0 326.485 -0.215 20 0 EBADRP COC(=O)[C@@H]1CN(C(=O)C[C@@]2(O)CCC[NH+](C)C2)CC[N@H+](C)C1 ZINC000910413376 650110716 /nfs/dbraw/zinc/11/07/16/650110716.db2.gz NIPWQXQCYKBRPE-BBRMVZONSA-N 2 0 327.425 -0.604 20 0 EBADRP CCN1CC[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000910595647 650115012 /nfs/dbraw/zinc/11/50/12/650115012.db2.gz AFGHAEUGAXJWLT-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000910946811 650141367 /nfs/dbraw/zinc/14/13/67/650141367.db2.gz PRLDVPAWTSTJAK-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000910959940 650142596 /nfs/dbraw/zinc/14/25/96/650142596.db2.gz SYTZYYCIJSGWFF-AWEZNQCLSA-N 2 0 326.441 -0.578 20 0 EBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC000910961410 650142773 /nfs/dbraw/zinc/14/27/73/650142773.db2.gz ZUWXGOTZXJMPBJ-UHFFFAOYSA-N 2 0 339.484 -0.485 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCCO1 ZINC000910983617 650143501 /nfs/dbraw/zinc/14/35/01/650143501.db2.gz IQKSQJSCANANNH-BYNSBNAKSA-N 2 0 338.452 -0.387 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CCCO1 ZINC000910982109 650143727 /nfs/dbraw/zinc/14/37/27/650143727.db2.gz AKIXPCPDXOUWSK-ZIAGYGMSSA-N 2 0 340.468 -0.282 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)C1 ZINC000910990899 650144120 /nfs/dbraw/zinc/14/41/20/650144120.db2.gz FGAMAUXXADMBLV-KBPBESRZSA-N 2 0 340.468 -0.426 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000910994175 650144168 /nfs/dbraw/zinc/14/41/68/650144168.db2.gz WOZSEAYWNNIURF-CBBWQLFWSA-N 2 0 338.452 -0.532 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000911004122 650144655 /nfs/dbraw/zinc/14/46/55/650144655.db2.gz NBYRUOTXHISKOK-KGLIPLIRSA-N 2 0 340.468 -0.343 20 0 EBADRP CC[NH+]1CCC(CNC(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)CC1 ZINC000911003399 650144905 /nfs/dbraw/zinc/14/49/05/650144905.db2.gz JZIAMEIURKPLHQ-UHFFFAOYSA-N 2 0 340.468 -0.199 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000911027914 650146483 /nfs/dbraw/zinc/14/64/83/650146483.db2.gz FIPWOWCUUGDUKM-KFWWJZLASA-N 2 0 340.468 -0.330 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC000911030973 650146873 /nfs/dbraw/zinc/14/68/73/650146873.db2.gz NKTUJLPRJHVHBQ-VBQJREDUSA-N 2 0 337.468 -0.922 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1)C1CC1 ZINC000911052840 650147968 /nfs/dbraw/zinc/14/79/68/650147968.db2.gz ISGRXIQFSLBAJX-MNOVXSKESA-N 2 0 336.358 -0.065 20 0 EBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC000911054838 650148350 /nfs/dbraw/zinc/14/83/50/650148350.db2.gz MCQPCNUHKOGENY-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000911101550 650151746 /nfs/dbraw/zinc/15/17/46/650151746.db2.gz WITFJEDWWNINKD-VHDGCEQUSA-N 2 0 338.452 -0.530 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911149193 650154903 /nfs/dbraw/zinc/15/49/03/650154903.db2.gz VBPCKZPXDXDJJY-VBQJREDUSA-N 2 0 336.436 -0.680 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000911149558 650155058 /nfs/dbraw/zinc/15/50/58/650155058.db2.gz XOKWKBCKAJCRKP-KBUPBQIOSA-N 2 0 338.452 -0.672 20 0 EBADRP C[C@H](NC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1)[C@H]1CN(C)CCO1 ZINC000911161329 650155393 /nfs/dbraw/zinc/15/53/93/650155393.db2.gz HWTSIKHZMWTGGK-BFHYXJOUSA-N 2 0 326.441 -0.530 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000911163839 650156237 /nfs/dbraw/zinc/15/62/37/650156237.db2.gz ZUWSFGICZRAIDP-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000911162429 650156285 /nfs/dbraw/zinc/15/62/85/650156285.db2.gz RISJUBAOAMQMDN-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000911236429 650161733 /nfs/dbraw/zinc/16/17/33/650161733.db2.gz QWJBZUNCFCOKSX-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC[C@@H]1C[NH3+] ZINC000911183888 650157710 /nfs/dbraw/zinc/15/77/10/650157710.db2.gz PETOWJWZWQWDOV-LSDHHAIUSA-N 2 0 340.468 -0.342 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC[C@@H]1C[NH3+] ZINC000911183887 650158048 /nfs/dbraw/zinc/15/80/48/650158048.db2.gz PETOWJWZWQWDOV-HUUCEWRRSA-N 2 0 340.468 -0.342 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CCSC1 ZINC000911201013 650159063 /nfs/dbraw/zinc/15/90/63/650159063.db2.gz VCERFFAEQZZFQV-XHDPSFHLSA-N 2 0 328.482 -0.346 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CCSC1 ZINC000911199645 650159081 /nfs/dbraw/zinc/15/90/81/650159081.db2.gz LQBLBWZRVVECIZ-XUJVJEKNSA-N 2 0 328.482 -0.217 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCSC1 ZINC000911200583 650159090 /nfs/dbraw/zinc/15/90/90/650159090.db2.gz QBMREAJDFWNNPO-NWJSVONSSA-N 2 0 326.466 -0.451 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000911202460 650159672 /nfs/dbraw/zinc/15/96/72/650159672.db2.gz VWJPRIIKCKQUDR-ZIAGYGMSSA-N 2 0 342.484 -0.084 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1COC ZINC000911211302 650160119 /nfs/dbraw/zinc/16/01/19/650160119.db2.gz UPKVMOSDWLAIHS-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)c1 ZINC000911220000 650160809 /nfs/dbraw/zinc/16/08/09/650160809.db2.gz SVESVHBQKMJIPV-SFHVURJKSA-N 2 0 348.447 -0.323 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000911231596 650161371 /nfs/dbraw/zinc/16/13/71/650161371.db2.gz OSSZTPFFTWVFPM-KBPBESRZSA-N 2 0 328.457 -0.486 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)C1 ZINC000911243506 650163078 /nfs/dbraw/zinc/16/30/78/650163078.db2.gz WOYVRCUVVIDSSH-CKEIUWERSA-N 2 0 338.452 -0.528 20 0 EBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911255094 650163437 /nfs/dbraw/zinc/16/34/37/650163437.db2.gz LTRAEYBWRFZZSY-TZMCWYRMSA-N 2 0 340.468 -0.284 20 0 EBADRP CC(C)[NH+](CCNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)C(C)C ZINC000911266371 650163810 /nfs/dbraw/zinc/16/38/10/650163810.db2.gz HYYLIDRUPGUGCP-INIZCTEOSA-N 2 0 328.457 -0.466 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)C[NH+]1CCCC1 ZINC000911269750 650164439 /nfs/dbraw/zinc/16/44/39/650164439.db2.gz OZOFVXKYQMSPTL-XJKSGUPXSA-N 2 0 326.441 -0.853 20 0 EBADRP O=C(NCC1CC[NH2+]CC1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911268457 650164490 /nfs/dbraw/zinc/16/44/90/650164490.db2.gz WJTKWWGSKMOPSJ-GJZGRUSLSA-N 2 0 338.452 -0.840 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)C[NH+]1CCCC1 ZINC000911269747 650164526 /nfs/dbraw/zinc/16/45/26/650164526.db2.gz OZOFVXKYQMSPTL-BBRMVZONSA-N 2 0 326.441 -0.853 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000911268638 650164635 /nfs/dbraw/zinc/16/46/35/650164635.db2.gz SLXDZEDHTWMNSW-AWEZNQCLSA-N 2 0 328.457 -0.332 20 0 EBADRP C[NH2+]CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)C(C)C ZINC000911270509 650164793 /nfs/dbraw/zinc/16/47/93/650164793.db2.gz XZRRBAFQJJHXNZ-OAHLLOKOSA-N 2 0 341.500 -0.558 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000911270137 650164916 /nfs/dbraw/zinc/16/49/16/650164916.db2.gz TYBWHWLSKROERT-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP CC[NH2+]CCCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911270623 650165159 /nfs/dbraw/zinc/16/51/59/650165159.db2.gz OGWANZNINVDPRP-UONOGXRCSA-N 2 0 326.441 -0.840 20 0 EBADRP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911277517 650165710 /nfs/dbraw/zinc/16/57/10/650165710.db2.gz UXFURQIFDQHRDG-KFWWJZLASA-N 2 0 338.452 -0.840 20 0 EBADRP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCCN2CCSC[C@@H]12 ZINC000911286946 650166584 /nfs/dbraw/zinc/16/65/84/650166584.db2.gz AYWMQANNSMSPKI-AVGNSLFASA-N 2 0 326.466 -0.449 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000911293294 650167412 /nfs/dbraw/zinc/16/74/12/650167412.db2.gz DGSDFPZDOVJZQX-FZMZJTMJSA-N 2 0 349.435 -0.007 20 0 EBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911302879 650168141 /nfs/dbraw/zinc/16/81/41/650168141.db2.gz LAYRMUQCJOGRHQ-QPSCCSFWSA-N 2 0 338.452 -0.842 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)C[NH+](C)C ZINC000911310493 650169495 /nfs/dbraw/zinc/16/94/95/650169495.db2.gz LNWZTAQTQFZSKH-CQSZACIVSA-N 2 0 326.441 -0.505 20 0 EBADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)c1 ZINC000911310782 650169613 /nfs/dbraw/zinc/16/96/13/650169613.db2.gz NJUIRMDXQGPSQL-CQSZACIVSA-N 2 0 335.408 -0.742 20 0 EBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911313760 650170817 /nfs/dbraw/zinc/17/08/17/650170817.db2.gz URZNZCFUEOHOLZ-UHFFFAOYSA-N 2 0 341.500 -0.380 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000911330319 650171632 /nfs/dbraw/zinc/17/16/32/650171632.db2.gz JRDXQMJOHJTCNM-HUUCEWRRSA-N 2 0 340.468 -0.330 20 0 EBADRP [NH3+]C1(CNC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CCCC1 ZINC000911327768 650171867 /nfs/dbraw/zinc/17/18/67/650171867.db2.gz VTWXYEJWWSNWAD-KGLIPLIRSA-N 2 0 338.452 -0.568 20 0 EBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)C1 ZINC000911336366 650172310 /nfs/dbraw/zinc/17/23/10/650172310.db2.gz HKRATOIEDYPPTM-CYBMUJFWSA-N 2 0 326.441 -0.447 20 0 EBADRP C[NH+](C)CC[C@H](NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)c1cccnc1 ZINC000911345957 650173466 /nfs/dbraw/zinc/17/34/66/650173466.db2.gz LZSKUHABXAOQGX-CABCVRRESA-N 2 0 349.435 -0.705 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000911404180 650179202 /nfs/dbraw/zinc/17/92/02/650179202.db2.gz WZPZNCXFKMJUON-OAHLLOKOSA-N 2 0 349.435 -0.399 20 0 EBADRP C[N@@H+]1CCN(C(=O)C(=O)NCCN2CCC([NH3+])CC2)CCC1(C)C ZINC000911412080 650179741 /nfs/dbraw/zinc/17/97/41/650179741.db2.gz XXDIZKHFWRUORF-UHFFFAOYSA-N 2 0 339.484 -0.532 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911412199 650179782 /nfs/dbraw/zinc/17/97/82/650179782.db2.gz KJFOPQLSZIANJK-AWEZNQCLSA-N 2 0 325.457 -0.874 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2)C[NH+](C)C ZINC000911433074 650183142 /nfs/dbraw/zinc/18/31/42/650183142.db2.gz BEXMSIIKARCJPW-JJRVBVJISA-N 2 0 340.468 -0.282 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC[C@H]2CC[C@]21C[NH3+])C[NH+](C)C ZINC000911433946 650183542 /nfs/dbraw/zinc/18/35/42/650183542.db2.gz FSDWUBMXTWOUPC-VBQJREDUSA-N 2 0 340.468 -0.201 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000911457117 650185559 /nfs/dbraw/zinc/18/55/59/650185559.db2.gz TVFOCSFXWWORDR-UHFFFAOYSA-N 2 0 340.468 -0.057 20 0 EBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911533810 650190932 /nfs/dbraw/zinc/19/09/32/650190932.db2.gz LLYBKDRZXVJVTF-MCIONIFRSA-N 2 0 338.452 -0.842 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000911533259 650191017 /nfs/dbraw/zinc/19/10/17/650191017.db2.gz OKUPDCZBVDZAAB-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP [NH3+]CCCc1ccc(OCC(=O)NCC(=O)N2CC[NH2+]CC2)cc1 ZINC000911701408 650195916 /nfs/dbraw/zinc/19/59/16/650195916.db2.gz AVGJZHCIKRBBJQ-UHFFFAOYSA-N 2 0 334.420 -0.495 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000912461150 650205854 /nfs/dbraw/zinc/20/58/54/650205854.db2.gz INHPYUJTEIMYNH-MRXNPFEDSA-N 2 0 328.457 -0.688 20 0 EBADRP C[NH+]1CC[C@H](CC(=O)N[C@@H](CO)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000913919074 650248894 /nfs/dbraw/zinc/24/88/94/650248894.db2.gz AVFXNPVQHGSIFX-RRFJBIMHSA-N 2 0 340.468 -0.737 20 0 EBADRP CCO[C@H](CNC(=O)N[C@H](C)CN1CC[NH+](C)CC1)C[NH+](C)C ZINC000917224087 650281082 /nfs/dbraw/zinc/28/10/82/650281082.db2.gz PXBUKANOINVZTM-HUUCEWRRSA-N 2 0 329.489 -0.112 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000917959730 650286086 /nfs/dbraw/zinc/28/60/86/650286086.db2.gz LUVKRTAVRBXPGJ-JKSUJKDBSA-N 2 0 339.484 -0.215 20 0 EBADRP O=C(NC[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1)[C@H]1CCC[NH2+]1 ZINC000923327252 650338177 /nfs/dbraw/zinc/33/81/77/650338177.db2.gz AZWGSPGCXGUHQV-HRCADAONSA-N 2 0 335.452 -0.176 20 0 EBADRP NC(=O)c1ccc(N2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)nc1 ZINC000923320956 650338247 /nfs/dbraw/zinc/33/82/47/650338247.db2.gz JNLNEXQMTZLZLQ-CQSZACIVSA-N 2 0 331.420 -0.319 20 0 EBADRP O=C(NC[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1)[C@@H]1CCC[NH2+]1 ZINC000923327254 650338013 /nfs/dbraw/zinc/33/80/13/650338013.db2.gz AZWGSPGCXGUHQV-JYJNAYRXSA-N 2 0 335.452 -0.176 20 0 EBADRP [NH3+]CC(C[NH3+])NCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000923354862 650339027 /nfs/dbraw/zinc/33/90/27/650339027.db2.gz XBGOMDURPMGJLD-UHFFFAOYSA-N 2 0 339.871 -0.140 20 0 EBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)C1 ZINC000923387636 650339038 /nfs/dbraw/zinc/33/90/38/650339038.db2.gz XTIOWVSTJPCMCO-QMHWVQJVSA-N 2 0 329.400 -0.046 20 0 EBADRP C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923614255 650348308 /nfs/dbraw/zinc/34/83/08/650348308.db2.gz DUAULQSHRRUZLN-ZDUSSCGKSA-N 2 0 334.486 -0.839 20 0 EBADRP O=S(=O)([C@@H]1CCC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000923673569 650352187 /nfs/dbraw/zinc/35/21/87/650352187.db2.gz KPYPAMJNINHMBW-OWCLPIDISA-N 2 0 342.509 -0.031 20 0 EBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926341855 650387424 /nfs/dbraw/zinc/38/74/24/650387424.db2.gz HDWIRNYHHCUREO-WMLDXEAASA-N 2 0 340.468 -0.369 20 0 EBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000926299023 650384889 /nfs/dbraw/zinc/38/48/89/650384889.db2.gz OSWNGILPMHAEOS-BBRMVZONSA-N 2 0 326.441 -0.759 20 0 EBADRP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000926300424 650385086 /nfs/dbraw/zinc/38/50/86/650385086.db2.gz UUXVRRFLWGFBJR-UHFFFAOYSA-N 2 0 337.468 -0.905 20 0 EBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926305811 650385232 /nfs/dbraw/zinc/38/52/32/650385232.db2.gz DLTSGEJRBRJEHF-BBRMVZONSA-N 2 0 326.441 -0.901 20 0 EBADRP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000926321224 650386043 /nfs/dbraw/zinc/38/60/43/650386043.db2.gz PWYHVYMSAVLKKR-PBHICJAKSA-N 2 0 338.452 -0.615 20 0 EBADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926333891 650386631 /nfs/dbraw/zinc/38/66/31/650386631.db2.gz PXLZIYULEGQNJO-MRXNPFEDSA-N 2 0 326.441 -0.901 20 0 EBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926359714 650389312 /nfs/dbraw/zinc/38/93/12/650389312.db2.gz XXXNGFLJUPTSMQ-INIZCTEOSA-N 2 0 328.457 -0.511 20 0 EBADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CCNCC[NH2+]CC2)cc1 ZINC000927879886 651510560 /nfs/dbraw/zinc/51/05/60/651510560.db2.gz XSYIEWHKCCHBTL-UHFFFAOYSA-N 2 0 347.463 -0.249 20 0 EBADRP C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000929169830 651535831 /nfs/dbraw/zinc/53/58/31/651535831.db2.gz PXPIVIZFQMWHIB-LSDHHAIUSA-N 2 0 338.452 -0.746 20 0 EBADRP O[C@@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)C1(O)CCOCC1 ZINC000929285250 651541045 /nfs/dbraw/zinc/54/10/45/651541045.db2.gz ZWDBZBJINVVKAR-INIZCTEOSA-N 2 0 328.453 -0.067 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C[NH+](C)C ZINC000929507240 651551770 /nfs/dbraw/zinc/55/17/70/651551770.db2.gz RSESKJXXFZZSAJ-QLFBSQMISA-N 2 0 340.468 -0.188 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)NCC1CC[NH+](CC)CC1)C[NH+](C)C ZINC000929645740 651559174 /nfs/dbraw/zinc/55/91/74/651559174.db2.gz KGQZQKSMXJVBMR-HNNXBMFYSA-N 2 0 342.484 -0.083 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCOCC1)C1CC1 ZINC000929713928 651561913 /nfs/dbraw/zinc/56/19/13/651561913.db2.gz YZDGVLNMCPKEPM-OAHLLOKOSA-N 2 0 338.452 -0.434 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)C[NH+](C)C ZINC000930145897 651585432 /nfs/dbraw/zinc/58/54/32/651585432.db2.gz NUEZRASTINJRDQ-MGPQQGTHSA-N 2 0 328.457 -0.332 20 0 EBADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000930148473 651585688 /nfs/dbraw/zinc/58/56/88/651585688.db2.gz BYNRNWSPAZUIRA-OAHLLOKOSA-N 2 0 348.451 -0.874 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000930149446 651586979 /nfs/dbraw/zinc/58/69/79/651586979.db2.gz QPRMIJQXKPFUHT-CQSZACIVSA-N 2 0 339.484 -0.804 20 0 EBADRP CN1CC[C@H]1CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000931888313 651654916 /nfs/dbraw/zinc/65/49/16/651654916.db2.gz FZKAKVQTJHQTAC-KFWWJZLASA-N 2 0 339.484 -0.996 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CCC12CC[NH+](C)CC2)C[NH+](C)C ZINC000932465171 651680980 /nfs/dbraw/zinc/68/09/80/651680980.db2.gz YBLOSRTUYGRMNI-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1)C[NH+](C)C ZINC000932469066 651682638 /nfs/dbraw/zinc/68/26/38/651682638.db2.gz SQXMCDINGSULST-GJZGRUSLSA-N 2 0 342.484 -0.131 20 0 EBADRP CC[N@H+](CCC(N)=O)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000932482635 651684186 /nfs/dbraw/zinc/68/41/86/651684186.db2.gz WQFDXMYYZXWDKR-CQSZACIVSA-N 2 0 328.457 -0.343 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000932964545 651704829 /nfs/dbraw/zinc/70/48/29/651704829.db2.gz SMEWLSRJIHVLOE-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000932964542 651705336 /nfs/dbraw/zinc/70/53/36/651705336.db2.gz SMEWLSRJIHVLOE-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](C[C@@H]3CCOC3)C2)CC1 ZINC000941345009 652682359 /nfs/dbraw/zinc/68/23/59/652682359.db2.gz MXTILWCXIDRASF-RDJZCZTQSA-N 2 0 336.480 -0.055 20 0 EBADRP O=C([C@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCN(C2CN(CCO)C2)CC1 ZINC000941408832 652720672 /nfs/dbraw/zinc/72/06/72/652720672.db2.gz WGMAWUBUCUXJNN-JKSUJKDBSA-N 2 0 336.480 -0.319 20 0 EBADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000939760892 653041619 /nfs/dbraw/zinc/04/16/19/653041619.db2.gz YIQURUAOIUIGGX-STQMWFEESA-N 2 0 337.424 -0.930 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1 ZINC000946925787 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O=C(N[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)C12CCC[NH+]1CCC2 ZINC001020348989 729143109 /nfs/dbraw/zinc/14/31/09/729143109.db2.gz PYEUTRRDMBNVKX-AVGNSLFASA-N 2 0 334.420 -0.343 20 0 EBADRP CC(C)(C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)[NH+]1CCCC1 ZINC001020463526 729176788 /nfs/dbraw/zinc/17/67/88/729176788.db2.gz FFABHOSHTYDNSY-AVGNSLFASA-N 2 0 336.436 -0.097 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001020928773 729257548 /nfs/dbraw/zinc/25/75/48/729257548.db2.gz LMBJQNWDQZVOIO-JHJVBQTASA-N 2 0 337.424 -0.883 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001020929124 729257744 /nfs/dbraw/zinc/25/77/44/729257744.db2.gz URTJWZYYRMJWGJ-KBUPBQIOSA-N 2 0 343.493 0.000 20 0 EBADRP O=C(N[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001022090215 729453518 /nfs/dbraw/zinc/45/35/18/729453518.db2.gz VDUWEQRZIHVRGX-XJFOESAGSA-N 2 0 334.420 -0.630 20 0 EBADRP 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CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025779059 730086784 /nfs/dbraw/zinc/08/67/84/730086784.db2.gz WPKRRJFHHJYSAS-HCZIRCDUSA-N 2 0 348.447 -0.289 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCN(C)C4=O)C[C@H]32)CC[N@@H+]1C ZINC001025795100 730089679 /nfs/dbraw/zinc/08/96/79/730089679.db2.gz RBPAKPCZRJMERN-UGYDUONOSA-N 2 0 334.464 -0.006 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001026043625 730117425 /nfs/dbraw/zinc/11/74/25/730117425.db2.gz VHHSFRDEOWHRDU-LVYCXYHQSA-N 2 0 334.420 -0.820 20 0 EBADRP CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CC[C@H](C)C2)C1=O ZINC001026043497 730117464 /nfs/dbraw/zinc/11/74/64/730117464.db2.gz DCRQXLRVCDCTDC-KSXIZUIISA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001026043624 730117561 /nfs/dbraw/zinc/11/75/61/730117561.db2.gz VHHSFRDEOWHRDU-CQUYNDQOSA-N 2 0 334.420 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Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001026938260 730173201 /nfs/dbraw/zinc/17/32/01/730173201.db2.gz BCNJICBMPDPHAS-ZDUSSCGKSA-N 2 0 333.440 -0.223 20 0 EBADRP O=C(N1CC[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001027173816 730194964 /nfs/dbraw/zinc/19/49/64/730194964.db2.gz WKEFKXLROBGJBR-CHWSQXEVSA-N 2 0 334.420 -0.675 20 0 EBADRP O=C(NC[C@H]1CCC[N@@H+]1CCN1CCNC1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001027886271 730245715 /nfs/dbraw/zinc/24/57/15/730245715.db2.gz QPJMOPKMGVCMLQ-HZPDHXFCSA-N 2 0 349.479 -0.066 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCN2C(=O)CCC2=O)C1 ZINC001028320627 730283260 /nfs/dbraw/zinc/28/32/60/730283260.db2.gz UBAOGTPCUIKUAM-ZIAGYGMSSA-N 2 0 336.436 -0.332 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028699280 730341479 /nfs/dbraw/zinc/34/14/79/730341479.db2.gz WLANUUCBSPFSIJ-XCCIUEIHSA-N 2 0 336.436 -0.966 20 0 EBADRP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 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/nfs/dbraw/zinc/74/84/10/730748410.db2.gz UCIWXUKYRMNDOX-HZPDHXFCSA-N 2 0 349.479 -0.066 20 0 EBADRP O=C(NCC1C[NH+](CCn2cncn2)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001031857501 730781473 /nfs/dbraw/zinc/78/14/73/730781473.db2.gz WTUVQVKHAROWRP-GULBITTBSA-N 2 0 346.435 -0.811 20 0 EBADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001032960289 730952519 /nfs/dbraw/zinc/95/25/19/730952519.db2.gz QORBFEZNZSIOAR-UONOGXRCSA-N 2 0 336.436 -0.238 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2)nc1=O ZINC001034611523 731145608 /nfs/dbraw/zinc/14/56/08/731145608.db2.gz KKIHHLRJANLSMI-JHJVBQTASA-N 2 0 336.440 -0.280 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCN3CCNC3=O)CC2)C1 ZINC001034792925 731157227 /nfs/dbraw/zinc/15/72/27/731157227.db2.gz PDKDUAZOBDIVFQ-RBSFLKMASA-N 2 0 337.468 -0.020 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039760443 731523284 /nfs/dbraw/zinc/52/32/84/731523284.db2.gz MRYNBEOVOMDREB-WMLDXEAASA-N 2 0 340.468 -0.641 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001039784332 731532982 /nfs/dbraw/zinc/53/29/82/731532982.db2.gz COUVNZGRBDJBLT-INIZCTEOSA-N 2 0 328.457 -0.641 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001039785401 731533575 /nfs/dbraw/zinc/53/35/75/731533575.db2.gz IZDIWLBSQJUWIB-YOEHRIQHSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039787422 731535203 /nfs/dbraw/zinc/53/52/03/731535203.db2.gz NFRFBFOCPMKEKJ-PBHICJAKSA-N 2 0 340.468 -0.641 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3[C@@H]2CCC(=O)NC2=O)C1 ZINC001040006109 731572332 /nfs/dbraw/zinc/57/23/32/731572332.db2.gz REWXBGIWVRYWMA-BYNSBNAKSA-N 2 0 348.447 -0.191 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001040103937 731600706 /nfs/dbraw/zinc/60/07/06/731600706.db2.gz HUHSJOHVCLIJTO-QGZVFWFLSA-N 2 0 340.468 -0.498 20 0 EBADRP CC(C)[NH+](C)CC(=O)N1CC[C@](O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001040104620 731601322 /nfs/dbraw/zinc/60/13/22/731601322.db2.gz RJICXBOPAGYJHY-KRWDZBQOSA-N 2 0 342.484 -0.254 20 0 EBADRP CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)C[NH+](CC)CC)C1)[NH+](C)C ZINC001040199432 731641049 /nfs/dbraw/zinc/64/10/49/731641049.db2.gz VXQPQIRXHWJYCC-RHSMWYFYSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1)[NH+](C)C ZINC001040360546 731713100 /nfs/dbraw/zinc/71/31/00/731713100.db2.gz XYMLSFNROHEUJP-YOEHRIQHSA-N 2 0 340.468 -0.498 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@]1(O)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001040449122 731738698 /nfs/dbraw/zinc/73/86/98/731738698.db2.gz FESAWOHPPSILNA-QGZVFWFLSA-N 2 0 342.484 -0.250 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001040449218 731738819 /nfs/dbraw/zinc/73/88/19/731738819.db2.gz GDGHWELYRXKWRS-KRWDZBQOSA-N 2 0 340.468 -0.496 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001040496078 731759450 /nfs/dbraw/zinc/75/94/50/731759450.db2.gz RYJIFORAWVGXFA-RHSMWYFYSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001061426457 738537002 /nfs/dbraw/zinc/53/70/02/738537002.db2.gz PMHFCCDZCPCSPA-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001061425943 738537193 /nfs/dbraw/zinc/53/71/93/738537193.db2.gz JQXGKZQABNFFCI-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040719865 731846295 /nfs/dbraw/zinc/84/62/95/731846295.db2.gz YIVLOOIWACTIFK-KRWDZBQOSA-N 2 0 342.484 -0.252 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001040798652 731879697 /nfs/dbraw/zinc/87/96/97/731879697.db2.gz UMJLVMPQXIUVTA-PBHICJAKSA-N 2 0 340.468 -0.641 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041286378 732066265 /nfs/dbraw/zinc/06/62/65/732066265.db2.gz LCGNMTGYEVSRTD-MAUKXSAKSA-N 2 0 334.464 -0.001 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001042104943 732317638 /nfs/dbraw/zinc/31/76/38/732317638.db2.gz UWMCYOKTCCSBLE-ZIAGYGMSSA-N 2 0 338.452 -0.746 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)CCc2ncc[nH]2)C1 ZINC001042827227 732610865 /nfs/dbraw/zinc/61/08/65/732610865.db2.gz QJAJOVMYLAXUQE-UHFFFAOYSA-N 2 0 337.424 -0.626 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCOC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061599380 738639692 /nfs/dbraw/zinc/63/96/92/738639692.db2.gz QRVUILVCUDOZKD-CABCVRRESA-N 2 0 338.452 -0.480 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061600126 738641173 /nfs/dbraw/zinc/64/11/73/738641173.db2.gz HYXGBYSYKMBSHT-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001043119892 732770202 /nfs/dbraw/zinc/77/02/02/732770202.db2.gz GMUMSYYEWPRKKX-UONOGXRCSA-N 2 0 338.452 -0.888 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001043157488 732793680 /nfs/dbraw/zinc/79/36/80/732793680.db2.gz DGAVDDVVRHHIQK-UHFFFAOYSA-N 2 0 338.452 -0.887 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043417205 732924835 /nfs/dbraw/zinc/92/48/35/732924835.db2.gz WJURXLACMSLBDN-KBPBESRZSA-N 2 0 340.468 -0.500 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001043431994 732937185 /nfs/dbraw/zinc/93/71/85/732937185.db2.gz WROOWPLLHGDGKY-AWEZNQCLSA-N 2 0 340.468 -0.500 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001043456311 732950791 /nfs/dbraw/zinc/95/07/91/732950791.db2.gz TXCJPSYMPWOTNA-UHFFFAOYSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[C@H](C(=O)NCC1(O)CN(C(=O)C(C)(C)[N@H+](C)CC)C1)[NH+](C)C ZINC001043678146 733055510 /nfs/dbraw/zinc/05/55/10/733055510.db2.gz PALIHCVYXITKEH-CYBMUJFWSA-N 2 0 342.484 -0.254 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001043771421 733105850 /nfs/dbraw/zinc/10/58/50/733105850.db2.gz VMAWHPFZMDUORD-ZIAGYGMSSA-N 2 0 338.452 -0.746 20 0 EBADRP CC[C@H](C(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC001061679774 738691198 /nfs/dbraw/zinc/69/11/98/738691198.db2.gz YXVJOZXTGWYJCF-RBSFLKMASA-N 2 0 340.468 -0.236 20 0 EBADRP C[NH+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044000237 733238708 /nfs/dbraw/zinc/23/87/08/733238708.db2.gz CYRCTNVQNQLIFH-KBPBESRZSA-N 2 0 338.452 -0.888 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001044023895 733250804 /nfs/dbraw/zinc/25/08/04/733250804.db2.gz UZLMBQLMUYAJCV-UHFFFAOYSA-N 2 0 338.452 -0.887 20 0 EBADRP CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC001044041296 733258367 /nfs/dbraw/zinc/25/83/67/733258367.db2.gz GQOKETAPMJZRDO-QWHCGFSZSA-N 2 0 326.441 -0.890 20 0 EBADRP CC[C@@H](C(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1)[NH+](C)C ZINC001044042066 733259239 /nfs/dbraw/zinc/25/92/39/733259239.db2.gz VNFGDMMUPUJJPF-KBPBESRZSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1)[NH+](C)C ZINC001044043944 733259856 /nfs/dbraw/zinc/25/98/56/733259856.db2.gz IAHRZKCMOIJZSX-UONOGXRCSA-N 2 0 340.468 -0.500 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001061690441 738700460 /nfs/dbraw/zinc/70/04/60/738700460.db2.gz IQNDGVCPRQYHNK-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001044610441 733463767 /nfs/dbraw/zinc/46/37/67/733463767.db2.gz PZLGIOSJJRXGOV-STQMWFEESA-N 2 0 336.440 -0.487 20 0 EBADRP C[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001044824498 733520978 /nfs/dbraw/zinc/52/09/78/733520978.db2.gz RBTUTGGTASBXGM-STQMWFEESA-N 2 0 348.451 -0.327 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061741293 738732554 /nfs/dbraw/zinc/73/25/54/738732554.db2.gz QQJVCDWGEFEDJN-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP C[C@@H](C(=O)N(C)C)[NH+]1CCC(C)(NC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001045397807 733686333 /nfs/dbraw/zinc/68/63/33/733686333.db2.gz OWYREGXMSLWVQQ-UONOGXRCSA-N 2 0 340.468 -0.236 20 0 EBADRP CNC(=O)[C@@H](C)[NH+]1CCC(C)(NC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001045397795 733686498 /nfs/dbraw/zinc/68/64/98/733686498.db2.gz ORCORZJMDACWEU-CHWSQXEVSA-N 2 0 326.441 -0.578 20 0 EBADRP C[C@H](C(=O)N(C)C)[NH+]1CCC(C)(NC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001045397806 733686793 /nfs/dbraw/zinc/68/67/93/733686793.db2.gz OWYREGXMSLWVQQ-KGLIPLIRSA-N 2 0 340.468 -0.236 20 0 EBADRP C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001045413138 733689890 /nfs/dbraw/zinc/68/98/90/733689890.db2.gz KNGKNZABJUSQJZ-UHFFFAOYSA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045412897 733689896 /nfs/dbraw/zinc/68/98/96/733689896.db2.gz IDZWPLBFMRGSNG-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045418946 733691851 /nfs/dbraw/zinc/69/18/51/733691851.db2.gz ZPJQEZSGGMFURK-UHFFFAOYSA-N 2 0 342.484 -0.252 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2(C)CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)C1 ZINC001045639293 733743574 /nfs/dbraw/zinc/74/35/74/733743574.db2.gz GMYIWSQZEVHVCA-STQMWFEESA-N 2 0 336.436 -0.286 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC3(CO2)CC[NH+](CC(N)=O)CC3)C1 ZINC001045684953 733753893 /nfs/dbraw/zinc/75/38/93/733753893.db2.gz CJUXKRCRCCIASU-ZIAGYGMSSA-N 2 0 338.452 -0.589 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045720438 733759550 /nfs/dbraw/zinc/75/95/50/733759550.db2.gz RDZBKCUPSSCHMC-AWEZNQCLSA-N 2 0 340.468 -0.500 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001046010378 733798646 /nfs/dbraw/zinc/79/86/46/733798646.db2.gz MBPAYRJZFBZPST-CABCVRRESA-N 2 0 337.468 -0.955 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CCN([C@@H]2CC[N@H+](CCCO)C2)CC1)C1CC1 ZINC001046035794 733819342 /nfs/dbraw/zinc/81/93/42/733819342.db2.gz SVXKQKRQCZJIFV-IAGOWNOFSA-N 2 0 338.496 -0.073 20 0 EBADRP C[C@@H](O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001046058835 733838365 /nfs/dbraw/zinc/83/83/65/733838365.db2.gz TZJBNRHNBOEAOT-NVXWUHKLSA-N 2 0 338.496 -0.073 20 0 EBADRP COCC[N@@H+]1CC[C@H](N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001046077500 733851790 /nfs/dbraw/zinc/85/17/90/733851790.db2.gz XHFFLAGGSOGGIQ-INIZCTEOSA-N 2 0 336.480 -0.053 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001046524782 733953716 /nfs/dbraw/zinc/95/37/16/733953716.db2.gz DGFJJMOJZDEBRP-UHFFFAOYSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046671732 733995144 /nfs/dbraw/zinc/99/51/44/733995144.db2.gz LGFOAAOHHDSDGL-KBPBESRZSA-N 2 0 338.452 -0.888 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001046676856 733998844 /nfs/dbraw/zinc/99/88/44/733998844.db2.gz MXXOZBSJBDRUOJ-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001046677875 734000407 /nfs/dbraw/zinc/00/04/07/734000407.db2.gz ZHKSDXBHWQQIDV-KBPBESRZSA-N 2 0 338.452 -0.888 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC001061829174 738773695 /nfs/dbraw/zinc/77/36/95/738773695.db2.gz LJSQMQRVWFVRCO-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[C@@]1(C[NH2+][C@@H]2CCC(=O)NC2=O)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001046900058 734056172 /nfs/dbraw/zinc/05/61/72/734056172.db2.gz KRUWVVSYQVNWGZ-DYVFJYSZSA-N 2 0 348.447 -0.284 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC001061862441 738791409 /nfs/dbraw/zinc/79/14/09/738791409.db2.gz UEGJOUFFBRTMCM-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O ZINC001047483679 734219557 /nfs/dbraw/zinc/21/95/57/734219557.db2.gz GRSKJRJQZRZRNN-XGUBFFRZSA-N 2 0 348.451 -0.637 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001061898494 738803150 /nfs/dbraw/zinc/80/31/50/738803150.db2.gz JMRHOPIIPJGQLS-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2C1)C1CC1 ZINC001048863790 734543956 /nfs/dbraw/zinc/54/39/56/734543956.db2.gz LFTGILVQHPNHIK-FZKCQIBNSA-N 2 0 334.464 -0.005 20 0 EBADRP CC[NH+](CC)CC(=O)N(C)[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001048880454 734555123 /nfs/dbraw/zinc/55/51/23/734555123.db2.gz DESPDWHHORACGP-GJZGRUSLSA-N 2 0 342.484 -0.300 20 0 EBADRP C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944225 734579271 /nfs/dbraw/zinc/57/92/71/734579271.db2.gz RTJDCLHNBQFBMZ-VLBSVHGGSA-N 2 0 335.448 -0.379 20 0 EBADRP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@H]2C1 ZINC001048959411 734584636 /nfs/dbraw/zinc/58/46/36/734584636.db2.gz ICVFBZYKOLATQP-UXLLHSPISA-N 2 0 334.464 -0.003 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001048976864 734593842 /nfs/dbraw/zinc/59/38/42/734593842.db2.gz IMJHAJYYLGNVCV-GJZGRUSLSA-N 2 0 342.484 -0.302 20 0 EBADRP CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)C[NH+](CC)CC)C[C@@H]1O)[NH+](C)C ZINC001049027090 734619630 /nfs/dbraw/zinc/61/96/30/734619630.db2.gz DTBRGCYMGNQDEB-ILXRZTDVSA-N 2 0 342.484 -0.302 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+]([C@@H]4CCN(C)C4=O)C[C@@H]3C2)C1 ZINC001049058500 734629984 /nfs/dbraw/zinc/62/99/84/734629984.db2.gz FHAJDOPIBBZZSS-LVQVYYBASA-N 2 0 334.464 -0.051 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+]([C@H]4CCCNC4=O)C[C@@H]3C2)C1 ZINC001049059206 734630383 /nfs/dbraw/zinc/63/03/83/734630383.db2.gz NRIPFYUICNWBGC-JONQDZQNSA-N 2 0 334.464 -0.003 20 0 EBADRP CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O)[NH+](C)C ZINC001049118973 734652653 /nfs/dbraw/zinc/65/26/53/734652653.db2.gz IBHFOOFBXMLFQH-KKUMJFAQSA-N 2 0 340.468 -0.548 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CCOC[C@@H]2CNC(=O)Cc2c[nH]cn2)CC1 ZINC001061932507 738836362 /nfs/dbraw/zinc/83/63/62/738836362.db2.gz ZJWJUVVUANNYLF-AWEZNQCLSA-N 2 0 349.435 -0.362 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)C[C@@H]1O ZINC001049150327 734663726 /nfs/dbraw/zinc/66/37/26/734663726.db2.gz UPDRFFHBXCJCLC-KKUMJFAQSA-N 2 0 340.468 -0.690 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CCN4CCCC4=O)C[C@@H]3C2)C1 ZINC001049214994 734687209 /nfs/dbraw/zinc/68/72/09/734687209.db2.gz FORVRBCXKKBMQT-OAGGEKHMSA-N 2 0 334.464 -0.049 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2O)C1 ZINC001049560132 734754743 /nfs/dbraw/zinc/75/47/43/734754743.db2.gz PDNNZXCPIFUXIG-ILXRZTDVSA-N 2 0 340.468 -0.690 20 0 EBADRP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCO ZINC001049609966 734764880 /nfs/dbraw/zinc/76/48/80/734764880.db2.gz ILCQBXIBUAPBDU-PLQZLIEUSA-N 2 0 335.448 -0.093 20 0 EBADRP C[C@@H](NC(=O)COCC[NH+](C)C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001051502721 735212370 /nfs/dbraw/zinc/21/23/70/735212370.db2.gz IOYKNRLDIQZCLL-CABCVRRESA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1CNC(=O)COCC[NH+](C)C ZINC001053352210 735844365 /nfs/dbraw/zinc/84/43/65/735844365.db2.gz XENFZSRPYSZYPI-CABCVRRESA-N 2 0 342.484 -0.273 20 0 EBADRP COCCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001055477937 736350351 /nfs/dbraw/zinc/35/03/51/736350351.db2.gz WFEBHVWBWHQSPI-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP COCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001055496101 736358224 /nfs/dbraw/zinc/35/82/24/736358224.db2.gz CDYRVTFDOQTCCI-UKRRQHHQSA-N 2 0 340.468 -0.473 20 0 EBADRP COCCC(=O)NC1CC[NH+](CCNC(=O)CC[NH+](C)C)CC1 ZINC001055633561 736417543 /nfs/dbraw/zinc/41/75/43/736417543.db2.gz STYZBBSMNUFBBM-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP COC[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)CC[NH+](C)C)CC1 ZINC001055633285 736417639 /nfs/dbraw/zinc/41/76/39/736417639.db2.gz IMPLKMBWGXXUTO-CQSZACIVSA-N 2 0 342.484 -0.083 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)COC)CC1 ZINC001055642853 736418729 /nfs/dbraw/zinc/41/87/29/736418729.db2.gz OWEPAEAFFKUJET-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001055838978 736512698 /nfs/dbraw/zinc/51/26/98/736512698.db2.gz XTATXUUQNAFTPJ-WMLDXEAASA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001055954782 736569641 /nfs/dbraw/zinc/56/96/41/736569641.db2.gz XIATVWFYQGSQRU-PBHICJAKSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001056106849 736644112 /nfs/dbraw/zinc/64/41/12/736644112.db2.gz XFJNKFUXURWGRW-RHSMWYFYSA-N 2 0 340.468 -0.641 20 0 EBADRP CC(C)[C@H](C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001057631662 737369891 /nfs/dbraw/zinc/36/98/91/737369891.db2.gz BZMYEBLFMTZCEV-LSDHHAIUSA-N 2 0 342.484 -0.539 20 0 EBADRP CC(C)[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001057631661 737370088 /nfs/dbraw/zinc/37/00/88/737370088.db2.gz BZMYEBLFMTZCEV-HUUCEWRRSA-N 2 0 342.484 -0.539 20 0 EBADRP C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001057635257 737374345 /nfs/dbraw/zinc/37/43/45/737374345.db2.gz AKGSBEUFVDTCNM-AWEZNQCLSA-N 2 0 328.457 -0.783 20 0 EBADRP C[NH+](C)C1(C(=O)NCCN(CCO)C(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001057636634 737376544 /nfs/dbraw/zinc/37/65/44/737376544.db2.gz VRVBSKNKRCSVHT-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCCN(CCO)C(=O)[C@H]1CC[NH+](C)C1 ZINC001057636725 737376634 /nfs/dbraw/zinc/37/66/34/737376634.db2.gz XMXKRYVDVGAVAF-AWEZNQCLSA-N 2 0 342.484 -0.395 20 0 EBADRP C[NH+](C)CC1(C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)CC1 ZINC001057640239 737380423 /nfs/dbraw/zinc/38/04/23/737380423.db2.gz FEPSBRQEMJAKTG-UHFFFAOYSA-N 2 0 340.468 -0.639 20 0 EBADRP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001057661578 737398574 /nfs/dbraw/zinc/39/85/74/737398574.db2.gz XGMBCHFNUXRBQL-OAHLLOKOSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)C[NH+](C)C(C)C ZINC001057863472 737484292 /nfs/dbraw/zinc/48/42/92/737484292.db2.gz TXKBSVOFTBMDQR-UHFFFAOYSA-N 2 0 330.473 -0.395 20 0 EBADRP C[NH+](C)[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001057876595 737496101 /nfs/dbraw/zinc/49/61/01/737496101.db2.gz NKWLHYUNAUOJPA-GJZGRUSLSA-N 2 0 340.468 -0.785 20 0 EBADRP CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)C ZINC001057882595 737503089 /nfs/dbraw/zinc/50/30/89/737503089.db2.gz VMBIKTSOZDTEJI-GJZGRUSLSA-N 2 0 342.484 -0.396 20 0 EBADRP C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001058157531 737679532 /nfs/dbraw/zinc/67/95/32/737679532.db2.gz ANWWXQCFSQLDTH-OAHLLOKOSA-N 2 0 342.484 -0.393 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H](CC)[NH+](C)C ZINC001058168381 737689574 /nfs/dbraw/zinc/68/95/74/737689574.db2.gz CFGZALICDBZKPZ-AWEZNQCLSA-N 2 0 330.473 -0.395 20 0 EBADRP CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H](CC)[NH+](C)C)[NH+](C)C ZINC001058168600 737690069 /nfs/dbraw/zinc/69/00/69/737690069.db2.gz MDKSFFLZSYUHKG-KBPBESRZSA-N 2 0 330.473 -0.396 20 0 EBADRP CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H](C1CC1)[NH+](C)C)[NH+](C)C ZINC001058168398 737690150 /nfs/dbraw/zinc/69/01/50/737690150.db2.gz CRENJEFDEBEKSB-GJZGRUSLSA-N 2 0 342.484 -0.396 20 0 EBADRP CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC001058168813 737690790 /nfs/dbraw/zinc/69/07/90/737690790.db2.gz VZNHGYLOIPGQRG-GJZGRUSLSA-N 2 0 344.500 -0.150 20 0 EBADRP CC[C@@H](C(=O)N(CCO)CCNC(=O)C1CC[NH+](C)CC1)[NH+](C)C ZINC001058168794 737690957 /nfs/dbraw/zinc/69/09/57/737690957.db2.gz VDOFWVCBYDAADU-HNNXBMFYSA-N 2 0 342.484 -0.395 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001058250683 737733202 /nfs/dbraw/zinc/73/32/02/737733202.db2.gz DJAPYDKCBILUQN-MRXNPFEDSA-N 2 0 344.500 -0.149 20 0 EBADRP CC(C)[C@H](C(=O)N(CCO)CCNC(=O)CC[NH+](C)C)[NH+](C)C ZINC001058250814 737733705 /nfs/dbraw/zinc/73/37/05/737733705.db2.gz JPLXRZUQXNZQOT-OAHLLOKOSA-N 2 0 330.473 -0.539 20 0 EBADRP C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)CCc1c[nH]cn1 ZINC001058607651 737919894 /nfs/dbraw/zinc/91/98/94/737919894.db2.gz JKJYOIALXLETAZ-UHFFFAOYSA-N 2 0 339.440 -0.379 20 0 EBADRP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001058709081 737959985 /nfs/dbraw/zinc/95/99/85/737959985.db2.gz GYGOVYLQPSWABV-OAHLLOKOSA-N 2 0 328.457 -0.785 20 0 EBADRP CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001058816115 738003381 /nfs/dbraw/zinc/00/33/81/738003381.db2.gz JPHRCHJVFKJHIP-INIZCTEOSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC001058849585 738032717 /nfs/dbraw/zinc/03/27/17/738032717.db2.gz YWGGGEJOFBCGSD-LSDHHAIUSA-N 2 0 342.484 -0.537 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001059969698 738285976 /nfs/dbraw/zinc/28/59/76/738285976.db2.gz NGNKGUFMXSGSSD-HNNXBMFYSA-N 2 0 342.484 -0.129 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001060320437 738347490 /nfs/dbraw/zinc/34/74/90/738347490.db2.gz SLAYXMKTUUSRLY-HNNXBMFYSA-N 2 0 342.484 -0.129 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001065409645 739694082 /nfs/dbraw/zinc/69/40/82/739694082.db2.gz MJLLXTRQQXKPCS-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001065537469 739749467 /nfs/dbraw/zinc/74/94/67/739749467.db2.gz QIVDROUAKDTECS-AWEZNQCLSA-N 2 0 340.468 -0.377 20 0 EBADRP CC[C@H](C(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1)[NH+](C)C ZINC001065572207 739768676 /nfs/dbraw/zinc/76/86/76/739768676.db2.gz LEYAXYYUFYJNKG-ZIAGYGMSSA-N 2 0 328.457 -0.378 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001065613838 739802110 /nfs/dbraw/zinc/80/21/10/739802110.db2.gz DPBCJQWNKZSHQH-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP CN(CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)COCC[NH+](C)C ZINC001067009034 740083060 /nfs/dbraw/zinc/08/30/60/740083060.db2.gz GTXMIINKRPHZCB-HNNXBMFYSA-N 2 0 342.484 -0.034 20 0 EBADRP C[NH+](C)CCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)CCO2 ZINC001068399124 740311050 /nfs/dbraw/zinc/31/10/50/740311050.db2.gz QZTWYOFMGJZXCM-CQSZACIVSA-N 2 0 338.452 -0.670 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001069015716 740523992 /nfs/dbraw/zinc/52/39/92/740523992.db2.gz VKSYUGOROQZSPB-CQSZACIVSA-N 2 0 338.452 -0.480 20 0 EBADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1 ZINC001070312243 740784047 /nfs/dbraw/zinc/78/40/47/740784047.db2.gz GOVPPQDAQCQERN-MCIONIFRSA-N 2 0 334.424 -0.904 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001070495037 740848913 /nfs/dbraw/zinc/84/89/13/740848913.db2.gz XSDYJZHUEAILID-GUIRCDHDSA-N 2 0 348.451 -0.870 20 0 EBADRP CC(C)[C@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1)[NH+](C)C ZINC001070530288 740856744 /nfs/dbraw/zinc/85/67/44/740856744.db2.gz SATNBWSFXAHXOU-NUEKZKHPSA-N 2 0 337.468 -0.117 20 0 EBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cncn1C)C(N)=O ZINC001070718980 740927435 /nfs/dbraw/zinc/92/74/35/740927435.db2.gz NLJPQYPKDPWNNV-BFHYXJOUSA-N 2 0 348.451 -0.726 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)COCC[NH+](C)C)C1 ZINC001072150961 741322422 /nfs/dbraw/zinc/32/24/22/741322422.db2.gz WJWSLIFBVNDKKU-CABCVRRESA-N 2 0 342.484 -0.131 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1C ZINC001072433700 741399357 /nfs/dbraw/zinc/39/93/57/741399357.db2.gz ZSDDAWDBVRNCEZ-GJZGRUSLSA-N 2 0 342.484 -0.132 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CC2(C1)CC[N@H+](CCN1CCNC1=O)C2)C1CC1 ZINC001072814880 741492768 /nfs/dbraw/zinc/49/27/68/741492768.db2.gz NYFZHCADETUTHB-HNNXBMFYSA-N 2 0 349.479 -0.114 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[NH+]([C@H]1CCC(=O)NC1=O)C2 ZINC001072858881 741504989 /nfs/dbraw/zinc/50/49/89/741504989.db2.gz MCCMJEPMZDJHSU-UONOGXRCSA-N 2 0 348.447 -0.190 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CC3(C2)CC[NH+](CCN2CCNC2=O)C3)C1 ZINC001072983398 741534599 /nfs/dbraw/zinc/53/45/99/741534599.db2.gz VFCWXSTZBBTNLU-HNNXBMFYSA-N 2 0 349.479 -0.112 20 0 EBADRP CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCN1CCNC1=O)C2)[NH+](C)C ZINC001072990902 741536804 /nfs/dbraw/zinc/53/68/04/741536804.db2.gz GXEWEGAPJYHPPW-AWEZNQCLSA-N 2 0 337.468 -0.114 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C)C(N)=O ZINC001074656145 742048883 /nfs/dbraw/zinc/04/88/83/742048883.db2.gz XWRDHEWCWACSDW-AGIUHOORSA-N 2 0 336.440 -0.489 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001075108694 742181318 /nfs/dbraw/zinc/18/13/18/742181318.db2.gz DDOPJPNIUPNBJB-AVGNSLFASA-N 2 0 337.424 -0.931 20 0 EBADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NC(=O)COCC[NH+](C)C ZINC001076745474 742553724 /nfs/dbraw/zinc/55/37/24/742553724.db2.gz GXMCNTRRKRVYQP-RRFJBIMHSA-N 2 0 342.484 -0.084 20 0 EBADRP O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001076999278 742687753 /nfs/dbraw/zinc/68/77/53/742687753.db2.gz LGIXCPQWTLLJRA-NUEKZKHPSA-N 2 0 325.453 -0.205 20 0 EBADRP C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001077494375 743017453 /nfs/dbraw/zinc/01/74/53/743017453.db2.gz LRAZEPDJLQYGEB-LSDHHAIUSA-N 2 0 342.484 -0.083 20 0 EBADRP C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001077495595 743020681 /nfs/dbraw/zinc/02/06/81/743020681.db2.gz LJFOTAIQDXINNQ-UONOGXRCSA-N 2 0 328.457 -0.473 20 0 EBADRP C[NH+](C)C1(C(=O)N2CCCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)CCC1 ZINC001078411392 743636716 /nfs/dbraw/zinc/63/67/16/743636716.db2.gz LKRLUYAOZYUNTL-ZIAGYGMSSA-N 2 0 338.452 -0.434 20 0 EBADRP C[N@H+](CCN1C(=O)CNC1=O)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980407046 805881393 /nfs/dbraw/zinc/88/13/93/805881393.db2.gz VCWDEZQNOGZBHO-CYBMUJFWSA-N 2 0 337.424 -0.833 20 0 EBADRP Cn1nnnc1C[NH2+][C@H]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000981460738 806176088 /nfs/dbraw/zinc/17/60/88/806176088.db2.gz FLPFYLPYVRXJJP-QWHCGFSZSA-N 2 0 333.440 -0.177 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CCC[NH+]([C@@H]2CCC(=O)NC2=O)C3)C1 ZINC000982148680 806411913 /nfs/dbraw/zinc/41/19/13/806411913.db2.gz RIINYSIZKYGXGA-ZIAGYGMSSA-N 2 0 348.447 -0.332 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000977206607 804222464 /nfs/dbraw/zinc/22/24/64/804222464.db2.gz DVNWTPSANTYUGY-RFBLXINOSA-N 2 0 346.475 -0.147 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@H]32)C1 ZINC000977207455 804224058 /nfs/dbraw/zinc/22/40/58/804224058.db2.gz JASSSCGSXWLIMZ-LVNYTYFRSA-N 2 0 334.464 -0.147 20 0 EBADRP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC000978174270 804705215 /nfs/dbraw/zinc/70/52/15/804705215.db2.gz FDQLDTQLGAAEFP-XDQVBPFNSA-N 2 0 348.451 -0.774 20 0 EBADRP O=C(NC[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)C12CCC[NH+]1CCC2 ZINC000978394482 804816784 /nfs/dbraw/zinc/81/67/84/804816784.db2.gz DAKIFAHJHNVSER-XQLPTFJDSA-N 2 0 332.448 -0.203 20 0 EBADRP CCN1CC[C@H]([N@H+]2C[C@@H]3[C@@H](CNC(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1=O ZINC000978960585 805064262 /nfs/dbraw/zinc/06/42/62/805064262.db2.gz MOKHVESCRCASNW-JONQDZQNSA-N 2 0 346.475 -0.003 20 0 EBADRP Cn1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)nn1 ZINC000983717143 807088290 /nfs/dbraw/zinc/08/82/90/807088290.db2.gz XHYBLRMDKRDXPZ-RRCSTGOVSA-N 2 0 348.451 -0.337 20 0 EBADRP Cn1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)nn1 ZINC000983717142 807089246 /nfs/dbraw/zinc/08/92/46/807089246.db2.gz XHYBLRMDKRDXPZ-DARAHFNDSA-N 2 0 348.451 -0.337 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2C[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)nc1=O ZINC000985032417 807429147 /nfs/dbraw/zinc/42/91/47/807429147.db2.gz UBKVULDDTZCBJH-JHJVBQTASA-N 2 0 336.440 -0.565 20 0 EBADRP C[C@@H]1[C@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)C[NH+]1CCCC1 ZINC000987534187 807953446 /nfs/dbraw/zinc/95/34/46/807953446.db2.gz VJYAGBLLYZQKAZ-ZIAGYGMSSA-N 2 0 336.436 -0.190 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC000990275595 808718479 /nfs/dbraw/zinc/71/84/79/808718479.db2.gz BNMSDLBULINKSX-CYBMUJFWSA-N 2 0 337.424 -0.787 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC000990507888 808817693 /nfs/dbraw/zinc/81/76/93/808817693.db2.gz IGLIJTGUPVLTCA-HUUCEWRRSA-N 2 0 338.452 -0.483 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC000990507883 808817763 /nfs/dbraw/zinc/81/77/63/808817763.db2.gz IGLIJTGUPVLTCA-GJZGRUSLSA-N 2 0 338.452 -0.483 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC(NC(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000990515242 808820170 /nfs/dbraw/zinc/82/01/70/808820170.db2.gz UKNAHVQPFQSVAB-OAHLLOKOSA-N 2 0 348.451 -0.521 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214969411 810294324 /nfs/dbraw/zinc/29/43/24/810294324.db2.gz QIPNBNFZZUHAMH-UTUOFQBUSA-N 2 0 325.413 -0.898 20 0 EBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001215423272 810327355 /nfs/dbraw/zinc/32/73/55/810327355.db2.gz FFEHQABHIJTLOR-CHWSQXEVSA-N 2 0 339.440 -0.684 20 0 EBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C)C(=O)NC(N)=O ZINC001215453762 810329851 /nfs/dbraw/zinc/32/98/51/810329851.db2.gz QGTYNHZGHJAGGL-NTZNESFSSA-N 2 0 339.440 -0.652 20 0 EBADRP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215539956 810335000 /nfs/dbraw/zinc/33/50/00/810335000.db2.gz FHPQDDIDMHHAMN-BFHYXJOUSA-N 2 0 346.497 -0.686 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001215999016 810354863 /nfs/dbraw/zinc/35/48/63/810354863.db2.gz LQYNEVZDWNEXPK-ZIAGYGMSSA-N 2 0 348.513 -0.344 20 0 EBADRP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216401594 810371401 /nfs/dbraw/zinc/37/14/01/810371401.db2.gz NOASBESQYHLDQR-ZIAGYGMSSA-N 2 0 328.457 -0.521 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216750004 810384537 /nfs/dbraw/zinc/38/45/37/810384537.db2.gz KUFWMSWXKCQSQE-VNQPRFMTSA-N 2 0 340.468 -0.473 20 0 EBADRP CCOC(=O)c1c(C)[nH]nc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218512570 810497077 /nfs/dbraw/zinc/49/70/77/810497077.db2.gz NUHOFCPMXZIOPB-NSHDSACASA-N 2 0 338.412 -0.416 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001218576062 810505103 /nfs/dbraw/zinc/50/51/03/810505103.db2.gz TWLZDVJSAGDCTJ-OWCLPIDISA-N 2 0 341.452 -0.753 20 0 EBADRP O=C(Nc1nccnc1N1CCOCC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218571523 810506267 /nfs/dbraw/zinc/50/62/67/810506267.db2.gz VYBDBNZUAJALEH-MLGOLLRUSA-N 2 0 332.408 -0.549 20 0 EBADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001218639658 810514167 /nfs/dbraw/zinc/51/41/67/810514167.db2.gz FRFYBLDEQSJAKC-CYBMUJFWSA-N 2 0 342.407 -0.491 20 0 EBADRP COC(=O)c1onc(C)c1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218635111 810514302 /nfs/dbraw/zinc/51/43/02/810514302.db2.gz DAMSBWKGZOJRGS-JTQLQIEISA-N 2 0 325.369 -0.541 20 0 EBADRP C[N@@H+]1C[C@@H](C(=O)Nc2cnn(C3C[NH2+]C3)c2)OC2(CC[NH2+]CC2)C1 ZINC001218639849 810515030 /nfs/dbraw/zinc/51/50/30/810515030.db2.gz DSVQRQKWROYRKZ-AWEZNQCLSA-N 3 0 334.424 -0.581 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640983 810515150 /nfs/dbraw/zinc/51/51/50/810515150.db2.gz PIJNNPOCVPXQCV-LBPRGKRZSA-N 2 0 338.412 -0.776 20 0 EBADRP CCOC(=O)c1cccc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)n1 ZINC001218647500 810515567 /nfs/dbraw/zinc/51/55/67/810515567.db2.gz JSVFFOQZKQJLDY-LBPRGKRZSA-N 2 0 335.408 -0.053 20 0 EBADRP Nc1cccnc1N(C(=O)[C@H]1NC(=O)CC12C[NH2+]C2)C1CC[NH2+]CC1 ZINC001218695322 810520197 /nfs/dbraw/zinc/52/01/97/810520197.db2.gz UJTPFAPZOSRPOT-CQSZACIVSA-N 2 0 344.419 -0.773 20 0 EBADRP [NH3+]Cc1cncc(NC(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)c1 ZINC001218703225 810521333 /nfs/dbraw/zinc/52/13/33/810521333.db2.gz BYIAPVGOIZZROZ-ZDUSSCGKSA-N 2 0 338.433 -0.107 20 0 EBADRP [NH3+]C1CCN(c2ccc(NC(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)cn2)CC1 ZINC001218725202 810523883 /nfs/dbraw/zinc/52/38/83/810523883.db2.gz TZWBVPHJMGCPJU-AWEZNQCLSA-N 3 0 330.436 -0.243 20 0 EBADRP [NH3+]C1CCN(c2ccc(NC(=O)[C@]34C[NH2+]C[C@H]3CCN4)cn2)CC1 ZINC001218724578 810524385 /nfs/dbraw/zinc/52/43/85/810524385.db2.gz KIADTYPPWURKQQ-PXAZEXFGSA-N 2 0 330.436 -0.101 20 0 EBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218727785 810525663 /nfs/dbraw/zinc/52/56/63/810525663.db2.gz PYFDHPGQFQBUON-OLZOCXBDSA-N 2 0 333.392 -0.290 20 0 EBADRP C[NH2+]CCC(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218777011 810530384 /nfs/dbraw/zinc/53/03/84/810530384.db2.gz NWKPPKFLUWSJPJ-VHSXEESVSA-N 2 0 342.831 -0.761 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1c[nH]ccc1=O ZINC001218791551 810531914 /nfs/dbraw/zinc/53/19/14/810531914.db2.gz LGXFOGGEAWZEQV-AAEUAGOBSA-N 2 0 335.408 -0.239 20 0 EBADRP N[C@@]1(C(=O)Nc2ccc(N3CC[NH+](CCO)CC3)cc2)CCC[NH2+]C1 ZINC001218874919 810538869 /nfs/dbraw/zinc/53/88/69/810538869.db2.gz ZVAGYSAUNBWUQI-SFHVURJKSA-N 2 0 347.463 -0.180 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc2[nH]c(CO)nc2c1 ZINC001218956660 810548461 /nfs/dbraw/zinc/54/84/61/810548461.db2.gz IREMCESRFZRSML-LBPRGKRZSA-N 2 0 332.408 -0.256 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219001017 810552470 /nfs/dbraw/zinc/55/24/70/810552470.db2.gz LBXZUOAEIDDKMD-OWCLPIDISA-N 2 0 343.468 -0.363 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1ccc(S(=O)(=O)CCCO)cc1 ZINC001219092195 810576804 /nfs/dbraw/zinc/57/68/04/810576804.db2.gz COWMONZSPDKXLI-ZDUSSCGKSA-N 2 0 329.422 -0.153 20 0 EBADRP [NH3+][C@H]1CCCN(c2ccc(NC(=O)[C@@H]3COC4(C[NH2+]C4)CN3)cc2)C1 ZINC001219233409 810626020 /nfs/dbraw/zinc/62/60/20/810626020.db2.gz NXJCDTWMLGPXJN-BBRMVZONSA-N 2 0 345.447 -0.117 20 0 EBADRP O=C(N[C@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001016003691 810650132 /nfs/dbraw/zinc/65/01/32/810650132.db2.gz NAPNXQQJGXEWTD-ZDUSSCGKSA-N 2 0 349.435 -0.785 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@@H]([NH3+])C(C)(C)O)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219498339 810722989 /nfs/dbraw/zinc/72/29/89/810722989.db2.gz WRZKCIHPGRCPQF-CXAGYDPISA-N 2 0 348.403 -0.085 20 0 EBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2 ZINC001219538380 810742241 /nfs/dbraw/zinc/74/22/41/810742241.db2.gz YIALMNAFUAKQFS-GIPNMCIBSA-N 2 0 333.392 -0.151 20 0 EBADRP CC[NH+](CC)CCNC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219555584 810749860 /nfs/dbraw/zinc/74/98/60/810749860.db2.gz HNGBBWSMYVZZGL-ZDUSSCGKSA-N 2 0 331.482 -0.141 20 0 EBADRP COc1ccc(C(=O)CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cc1 ZINC001219559481 810750701 /nfs/dbraw/zinc/75/07/01/810750701.db2.gz AWNLPNCOKQVOIX-HNNXBMFYSA-N 2 0 334.420 -0.256 20 0 EBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)C1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001219621920 810775230 /nfs/dbraw/zinc/77/52/30/810775230.db2.gz JISKITLVYJMBLZ-OFQRWUPVSA-N 2 0 328.432 -0.761 20 0 EBADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001033663221 810781307 /nfs/dbraw/zinc/78/13/07/810781307.db2.gz UPLOKBFIAUHKBD-KBPBESRZSA-N 2 0 336.436 -0.380 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2Cn3cnnc3C23CC[NH2+]CC3)C1 ZINC001219638571 810783253 /nfs/dbraw/zinc/78/32/53/810783253.db2.gz NLQYKZIINYNVKN-BFHYXJOUSA-N 2 0 332.452 -0.109 20 0 EBADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]([NH3+])CCCNC(=O)c2cnccn2)C1 ZINC001219640974 810783615 /nfs/dbraw/zinc/78/36/15/810783615.db2.gz DNZYQACDARVQIW-RDBSUJKOSA-N 2 0 348.451 -0.324 20 0 EBADRP [NH3+][C@H]1CCN([C@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2O)c2cc3ccccc3o2)C1 ZINC001219714446 810804901 /nfs/dbraw/zinc/80/49/01/810804901.db2.gz LBULQGBHJRFRRP-CFAJVAMVSA-N 2 0 344.415 -0.044 20 0 EBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744278 810820109 /nfs/dbraw/zinc/82/01/09/810820109.db2.gz WIFXUGSDYIGMTP-STQMWFEESA-N 2 0 344.481 -0.442 20 0 EBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1C[NH2+]Cc2ccnn2C1 ZINC001219746668 810821687 /nfs/dbraw/zinc/82/16/87/810821687.db2.gz LPWRVJWCHZJODO-LLVKDONJSA-N 2 0 330.396 -0.996 20 0 EBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001219749518 810823854 /nfs/dbraw/zinc/82/38/54/810823854.db2.gz OIBNXPVGYMUZBM-KBPBESRZSA-N 2 0 347.467 -0.396 20 0 EBADRP O=C(C[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219765070 810830698 /nfs/dbraw/zinc/83/06/98/810830698.db2.gz UARCJXASYSARHS-XLMAVXFVSA-N 2 0 336.480 -0.055 20 0 EBADRP NC(=O)NCCC[C@H]([NH3+])C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219793624 810843936 /nfs/dbraw/zinc/84/39/36/810843936.db2.gz JAHKFYGIQRCRTC-AWEZNQCLSA-N 3 0 340.472 -0.905 20 0 EBADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@H]1CNCc2ccnn21 ZINC001219793678 810844634 /nfs/dbraw/zinc/84/46/34/810844634.db2.gz JNJFJAINOFICTO-MRXNPFEDSA-N 2 0 332.452 -0.140 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O ZINC001219796795 810846077 /nfs/dbraw/zinc/84/60/77/810846077.db2.gz QMKITIQKDRJOGS-OAGGEKHMSA-N 2 0 343.468 -0.581 20 0 EBADRP C[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O)C1CC1 ZINC001219805887 810852529 /nfs/dbraw/zinc/85/25/29/810852529.db2.gz VNCJMBUUYKARKD-PMPSAXMXSA-N 2 0 325.453 -0.086 20 0 EBADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219809869 810855470 /nfs/dbraw/zinc/85/54/70/810855470.db2.gz UIDWAJHFQGEKRR-LLVKDONJSA-N 2 0 333.392 -0.948 20 0 EBADRP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219812942 810858103 /nfs/dbraw/zinc/85/81/03/810858103.db2.gz MBNQVNWGZPSGKI-MPGHIAIKSA-N 2 0 347.415 -0.201 20 0 EBADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1CC[C@H]2[NH2+]CC[C@H]2O1 ZINC001219833683 810868255 /nfs/dbraw/zinc/86/82/55/810868255.db2.gz GNNOHQWWTGAGNB-GHYKFQNRSA-N 2 0 339.436 -0.593 20 0 EBADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1noc2c1C[NH2+]CC2 ZINC001219844561 810874999 /nfs/dbraw/zinc/87/49/99/810874999.db2.gz NYHVRVXLHAEKGL-ZBEGNZNMSA-N 2 0 336.392 -0.555 20 0 EBADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)C1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001219852307 810879559 /nfs/dbraw/zinc/87/95/59/810879559.db2.gz QHVJYQZWGPMMFC-VVLHAWIVSA-N 2 0 336.480 -0.199 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CCc2[nH]c(=O)ccc2C1 ZINC001219890494 810896255 /nfs/dbraw/zinc/89/62/55/810896255.db2.gz INMBYZQIDHAMIJ-UONOGXRCSA-N 2 0 333.436 -0.489 20 0 EBADRP COCCn1c(=O)ccc2c1CC[C@@H](NC(=O)[C@H]([NH3+])CCC[NH3+])C2 ZINC001219898853 810899045 /nfs/dbraw/zinc/89/90/45/810899045.db2.gz PHEXMVZIJAMRJM-ZIAGYGMSSA-N 2 0 336.436 -0.466 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@]12C[C@H]1CN(C(=O)c1ccco1)C2 ZINC001219901148 810900673 /nfs/dbraw/zinc/90/06/73/810900673.db2.gz DRZYXFSFOLHWFV-PGUXBMHVSA-N 2 0 338.433 -0.371 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN([C@@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001219902379 810901887 /nfs/dbraw/zinc/90/18/87/810901887.db2.gz ADGOLRXMFKZEOP-XQQFMLRXSA-N 2 0 328.457 -0.645 20 0 EBADRP COC(=O)C1(NC(=O)[C@H]2CC3(CO2)CC[NH2+]CC3)CC[NH2+]CC1 ZINC001219998960 810940678 /nfs/dbraw/zinc/94/06/78/810940678.db2.gz GTOIEERXHLPJLJ-GFCCVEGCSA-N 2 0 325.409 -0.444 20 0 EBADRP COC(=O)C1(NC(=O)[C@@H]2CC[C@]3(C2)C[NH2+]CCO3)CC[NH2+]CC1 ZINC001220001115 810941396 /nfs/dbraw/zinc/94/13/96/810941396.db2.gz HZQSTLSNGUABGB-DOMZBBRYSA-N 2 0 325.409 -0.444 20 0 EBADRP COC(=O)C1(NC(=O)[C@@H]([NH3+])Cc2ccc(C(N)=O)cc2)CC[NH2+]CC1 ZINC001220001167 810941429 /nfs/dbraw/zinc/94/14/29/810941429.db2.gz JSVCAUGATJVMSW-ZDUSSCGKSA-N 2 0 348.403 -0.933 20 0 EBADRP COCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034215 810956040 /nfs/dbraw/zinc/95/60/40/810956040.db2.gz OWWNWZQZTGVECH-WCCAFZKYSA-N 2 0 339.436 -0.953 20 0 EBADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001220045143 810958387 /nfs/dbraw/zinc/95/83/87/810958387.db2.gz NFGARAWRTNRRTP-NSHDSACASA-N 2 0 338.412 -0.972 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC1(C(F)(F)F)CCOCC1 ZINC001220157099 811002893 /nfs/dbraw/zinc/00/28/93/811002893.db2.gz WUANYCFVSUKPAS-NSHDSACASA-N 2 0 338.374 -0.036 20 0 EBADRP O=C(N[C@H]1COCCC12OCCO2)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220172794 811005977 /nfs/dbraw/zinc/00/59/77/811005977.db2.gz BQFOAVSADVUKNX-STQMWFEESA-N 2 0 325.409 -0.491 20 0 EBADRP COC(=O)[C@]1(NC(=O)CNCC[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC001220228291 811026731 /nfs/dbraw/zinc/02/67/31/811026731.db2.gz HTIYDWVAFDEPFU-KRWDZBQOSA-N 2 0 334.420 -0.531 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220238231 811032021 /nfs/dbraw/zinc/03/20/21/811032021.db2.gz QPBWMDVOHUYTFX-KFWWJZLASA-N 2 0 340.468 -0.594 20 0 EBADRP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273943 811043550 /nfs/dbraw/zinc/04/35/50/811043550.db2.gz XEXRTLRPSDFOAU-ZNMIVQPWSA-N 2 0 331.457 -0.867 20 0 EBADRP O=C(NCc1ncn2c1C[NH2+]CCC2)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001220311046 811051960 /nfs/dbraw/zinc/05/19/60/811051960.db2.gz JPWDABWGVYRNLB-GFCCVEGCSA-N 2 0 346.435 -0.892 20 0 EBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220319686 811055453 /nfs/dbraw/zinc/05/54/53/811055453.db2.gz IJCFADVKIYGQCG-IJEWVQPXSA-N 2 0 326.441 -0.353 20 0 EBADRP COC(=O)C[C@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)C(=O)OC(C)(C)C ZINC001220379301 811082669 /nfs/dbraw/zinc/08/26/69/811082669.db2.gz PPDMVVXCWHZNPP-MNOVXSKESA-N 2 0 341.408 -0.815 20 0 EBADRP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001220383824 811083060 /nfs/dbraw/zinc/08/30/60/811083060.db2.gz DPMURBUOZFCTET-UBHSHLNASA-N 2 0 334.420 -0.054 20 0 EBADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC[C@H]1[NH2+]CC(N)=O ZINC001036076219 811090494 /nfs/dbraw/zinc/09/04/94/811090494.db2.gz JLUVQQWPDVCNLU-ZIAGYGMSSA-N 2 0 340.468 -0.343 20 0 EBADRP O=C(Nc1ncc(Br)[nH]c1=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220398875 811093354 /nfs/dbraw/zinc/09/33/54/811093354.db2.gz QAHRBQSVTLUTHW-LURJTMIESA-N 2 0 328.170 -0.720 20 0 EBADRP [NH3+][C@H](Cc1cn(C=O)c2ccccc12)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001220429768 811104784 /nfs/dbraw/zinc/10/47/84/811104784.db2.gz YYEOHBSDZAKQNK-DZGCQCFKSA-N 2 0 330.388 -0.346 20 0 EBADRP COC(=O)[C@H](COCc1ccccc1)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220456290 811114732 /nfs/dbraw/zinc/11/47/32/811114732.db2.gz JPZZAWDZZFVIQU-GJZGRUSLSA-N 2 0 347.415 -0.330 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCC1([NH3+])CCCC1 ZINC001220497485 811126290 /nfs/dbraw/zinc/12/62/90/811126290.db2.gz ZGTVSVKYOQZQFJ-KBPBESRZSA-N 3 0 339.484 -0.179 20 0 EBADRP COCCOCCOCCOCCNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220514336 811133107 /nfs/dbraw/zinc/13/31/07/811133107.db2.gz GVZWGHXOGXHFFF-HNNXBMFYSA-N 2 0 347.456 -0.874 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)CC[NH3+] ZINC001220517486 811134552 /nfs/dbraw/zinc/13/45/52/811134552.db2.gz NNRVLSWWCNPCRF-GJZGRUSLSA-N 2 0 343.516 -0.103 20 0 EBADRP CN(CC[NH3+])CCNC(=O)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001220517413 811134679 /nfs/dbraw/zinc/13/46/79/811134679.db2.gz KKCBNUCJZGNUPX-QAPCUYQASA-N 2 0 331.464 -0.281 20 0 EBADRP [NH3+]CCOCCOCCNC(=O)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001220519705 811135999 /nfs/dbraw/zinc/13/59/99/811135999.db2.gz YNQROYDZHRLWMP-GOEBONIOSA-N 2 0 329.441 -0.357 20 0 EBADRP CC(C)([NH3+])CN(C(=O)CNCC[NH3+])S(=O)(=O)c1ccccc1 ZINC001220535666 811143970 /nfs/dbraw/zinc/14/39/70/811143970.db2.gz IRRHOYRFIGRTKZ-UHFFFAOYSA-N 2 0 328.438 -0.511 20 0 EBADRP CCOC(=O)[C@H](Cc1ccccn1)NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220567606 811158066 /nfs/dbraw/zinc/15/80/66/811158066.db2.gz HFNFPKCQYDPUNR-GJZGRUSLSA-N 2 0 334.420 -0.001 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220582769 811164136 /nfs/dbraw/zinc/16/41/36/811164136.db2.gz CWWFIBCGDAYDFA-ZNMIVQPWSA-N 2 0 340.468 -0.594 20 0 EBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001220583682 811165379 /nfs/dbraw/zinc/16/53/79/811165379.db2.gz ULFQJHDCRWQPIB-KGLIPLIRSA-N 2 0 326.441 -0.589 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001220584577 811165905 /nfs/dbraw/zinc/16/59/05/811165905.db2.gz CPVHDYMERPGMHD-XHSDSOJGSA-N 2 0 343.468 -0.315 20 0 EBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220637934 811184930 /nfs/dbraw/zinc/18/49/30/811184930.db2.gz OKJYYBLDBFNDET-BMFZPTHFSA-N 2 0 341.452 -0.705 20 0 EBADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220654445 811191400 /nfs/dbraw/zinc/19/14/00/811191400.db2.gz SORUKTBLOUVWKS-NVXWUHKLSA-N 2 0 346.431 -0.137 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@@H]1O ZINC001220682872 811200116 /nfs/dbraw/zinc/20/01/16/811200116.db2.gz FLBPJVNLWLVQIM-CABCVRRESA-N 2 0 336.436 -0.612 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001220688808 811201995 /nfs/dbraw/zinc/20/19/95/811201995.db2.gz QNJFUHMWUBWMMT-XHSDSOJGSA-N 2 0 343.468 -0.315 20 0 EBADRP COC(=O)CC1(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CCOCC1 ZINC001220731256 811221677 /nfs/dbraw/zinc/22/16/77/811221677.db2.gz JETSFIMQWXGDKH-MLGOLLRUSA-N 2 0 325.409 -0.586 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CCO)C2)n1 ZINC001036719577 811230499 /nfs/dbraw/zinc/23/04/99/811230499.db2.gz GXJXEEXHBJIDOG-HOCLYGCPSA-N 2 0 335.452 -0.027 20 0 EBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220801505 811246684 /nfs/dbraw/zinc/24/66/84/811246684.db2.gz ZYEYUFMLEBWOKD-HLTSFMKQSA-N 2 0 325.335 -0.581 20 0 EBADRP NC(=O)NCCC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220801509 811246820 /nfs/dbraw/zinc/24/68/20/811246820.db2.gz ZYEYUFMLEBWOKD-VGMNWLOBSA-N 2 0 325.335 -0.581 20 0 EBADRP COC(=O)c1cncc(CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001220843044 811264360 /nfs/dbraw/zinc/26/43/60/811264360.db2.gz HYLOBIPARSATDQ-AWEZNQCLSA-N 2 0 335.408 -0.765 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCc1c[nH]c2cc[nH+]cc12 ZINC001220868812 811274940 /nfs/dbraw/zinc/27/49/40/811274940.db2.gz VGECPOIDRIUDQF-HNNXBMFYSA-N 3 0 330.436 -0.028 20 0 EBADRP [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC001220870985 811276220 /nfs/dbraw/zinc/27/62/20/811276220.db2.gz RDFNWMOAZOAHJU-ZJUUUORDSA-N 2 0 328.214 -0.561 20 0 EBADRP [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001220870476 811276427 /nfs/dbraw/zinc/27/64/27/811276427.db2.gz LCRMCDKLOWBQQO-KOLCDFICSA-N 2 0 329.198 -0.527 20 0 EBADRP CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001220900776 811288794 /nfs/dbraw/zinc/28/87/94/811288794.db2.gz PQLYBVFYBHVNHP-MNOVXSKESA-N 2 0 332.405 -0.804 20 0 EBADRP [NH3+]CCN(CCNC(=O)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2)N(O)N=O ZINC001220901436 811289033 /nfs/dbraw/zinc/28/90/33/811289033.db2.gz ZKOGURAFCQGPBP-JSGCOSHPSA-N 2 0 344.416 -0.800 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC001220923218 811296485 /nfs/dbraw/zinc/29/64/85/811296485.db2.gz BTMLZIUHSIVFJK-ZDUSSCGKSA-N 2 0 334.486 -0.509 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC001220934457 811300128 /nfs/dbraw/zinc/30/01/28/811300128.db2.gz OOVASLCNGLZJMJ-HUUCEWRRSA-N 2 0 332.452 -0.473 20 0 EBADRP COCC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])CC1 ZINC001221006412 811340852 /nfs/dbraw/zinc/34/08/52/811340852.db2.gz GALAHEHBVIOQAB-SRVKXCTJSA-N 2 0 332.470 -0.804 20 0 EBADRP Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081069 811366884 /nfs/dbraw/zinc/36/68/84/811366884.db2.gz DNANLTIQUAWYKR-SJORKVTESA-N 2 0 349.479 0.000 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1cc(OCC2CC2)ncn1 ZINC001221159310 811398285 /nfs/dbraw/zinc/39/82/85/811398285.db2.gz GPEPUEHMXFEGLF-LBPRGKRZSA-N 2 0 325.438 -0.099 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCNC(=O)c1cccs1 ZINC001221309163 811437742 /nfs/dbraw/zinc/43/77/42/811437742.db2.gz JLALQLUPRZRLNA-LBPRGKRZSA-N 2 0 339.465 -0.656 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1c2ccccc2NC1=O ZINC001221312100 811437809 /nfs/dbraw/zinc/43/78/09/811437809.db2.gz UMUUTSZWTSBZSS-KGLIPLIRSA-N 2 0 331.420 -0.411 20 0 EBADRP Cn1ncc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c(Br)c1=O ZINC001221401003 811450691 /nfs/dbraw/zinc/45/06/91/811450691.db2.gz ADEFYSDEXNXOHK-JTQLQIEISA-N 2 0 344.213 -0.192 20 0 EBADRP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001079489835 811559223 /nfs/dbraw/zinc/55/92/23/811559223.db2.gz PXGQCOWGHIVKJK-UPJWGTAASA-N 2 0 337.424 -0.931 20 0 EBADRP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001079489834 811560158 /nfs/dbraw/zinc/56/01/58/811560158.db2.gz PXGQCOWGHIVKJK-JHJVBQTASA-N 2 0 337.424 -0.931 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]CCN1Cc1ccc(N2CC[NH2+]CC2)nc1 ZINC001222079740 811592897 /nfs/dbraw/zinc/59/28/97/811592897.db2.gz FLZUWNFBSSQLHQ-HNNXBMFYSA-N 2 0 333.436 -0.172 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCC1CC[NH+](CC(=O)NC(N)=O)CC1)C1CC1 ZINC001223465199 811707807 /nfs/dbraw/zinc/70/78/07/811707807.db2.gz FNPXMEAGMMGXOX-CQSZACIVSA-N 2 0 339.440 -0.650 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001225087803 811790816 /nfs/dbraw/zinc/79/08/16/811790816.db2.gz LWBYQUMHHLDMLX-UHFFFAOYSA-N 2 0 327.429 -0.649 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC001225080282 811791501 /nfs/dbraw/zinc/79/15/01/811791501.db2.gz IJWQHMMWVAHFHT-GFCCVEGCSA-N 2 0 341.456 -0.260 20 0 EBADRP CCNC(=O)C[NH+]1CCC(CNC(=O)COCC[NH+](C)C)CC1 ZINC001225155134 811795736 /nfs/dbraw/zinc/79/57/36/811795736.db2.gz NYZUOZLIBHRGLX-UHFFFAOYSA-N 2 0 328.457 -0.471 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC001225155393 811795917 /nfs/dbraw/zinc/79/59/17/811795917.db2.gz VSBITRPBHYIKSU-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP CN(C)C(=O)C[NH+]1CCC(CNC(=O)COCC[NH+](C)C)CC1 ZINC001225155248 811795973 /nfs/dbraw/zinc/79/59/73/811795973.db2.gz QOEKGSZRENKQLE-UHFFFAOYSA-N 2 0 328.457 -0.519 20 0 EBADRP COC[C@H](O)C[NH+]1CCC(CNC(=O)COCC[NH+](C)C)CC1 ZINC001225162269 811797133 /nfs/dbraw/zinc/79/71/33/811797133.db2.gz DDKDDPMCSMAWAM-OAHLLOKOSA-N 2 0 331.457 -0.600 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001225447948 811809999 /nfs/dbraw/zinc/80/99/99/811809999.db2.gz CTPWAOVGYCOPJZ-KGLIPLIRSA-N 2 0 340.468 -0.343 20 0 EBADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+](C)C ZINC001227056575 811900931 /nfs/dbraw/zinc/90/09/31/811900931.db2.gz GTLHNGOPEZNPGM-JHJVBQTASA-N 2 0 338.456 -0.034 20 0 EBADRP CC[C@@H](C(=O)N1CC(N(CC)C(=O)COCC[NH+](C)C)C1)[NH+](C)C ZINC001080138793 811912635 /nfs/dbraw/zinc/91/26/35/811912635.db2.gz OYGPESPIXUXQFH-HNNXBMFYSA-N 2 0 342.484 -0.036 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228365989 811976387 /nfs/dbraw/zinc/97/63/87/811976387.db2.gz LCKLTEPAIPFFJL-CHWSQXEVSA-N 2 0 341.456 -0.199 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228365296 811976528 /nfs/dbraw/zinc/97/65/28/811976528.db2.gz ASVZQSUFTPDAKI-VXGBXAGGSA-N 2 0 327.429 -0.589 20 0 EBADRP COC[C@@H](C)OC[C@H](O)C[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001228999744 812008232 /nfs/dbraw/zinc/00/82/32/812008232.db2.gz VGRKJBAXBCRCST-GDBMZVCRSA-N 2 0 345.484 -0.069 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001229008311 812008631 /nfs/dbraw/zinc/00/86/31/812008631.db2.gz LLBXMTPSTHPPFF-UHFFFAOYSA-N 2 0 348.513 -0.200 20 0 EBADRP C[C@H](C(=O)N(C)C)[NH+]1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001230048768 812070871 /nfs/dbraw/zinc/07/08/71/812070871.db2.gz RTSVRTRRYSJMKV-CYBMUJFWSA-N 2 0 328.457 -0.378 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCNS(C)(=O)=O)C1 ZINC001230141480 812080400 /nfs/dbraw/zinc/08/04/00/812080400.db2.gz MQUDJUHOAOZBEF-BFHYXJOUSA-N 2 0 346.497 -0.496 20 0 EBADRP COCCOC[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001230262788 812093189 /nfs/dbraw/zinc/09/31/89/812093189.db2.gz SBSJXCKDGJRSHP-ZBFHGGJFSA-N 2 0 343.468 -0.457 20 0 EBADRP CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001230275261 812096867 /nfs/dbraw/zinc/09/68/67/812096867.db2.gz KGCGURXXJHRBKD-ZFWWWQNUSA-N 2 0 340.468 -0.201 20 0 EBADRP Cn1cc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c(=O)n(C)c1=O ZINC001231768909 812306823 /nfs/dbraw/zinc/30/68/23/812306823.db2.gz LIOSFTBUPUZOHC-LSDHHAIUSA-N 2 0 335.452 -0.706 20 0 EBADRP CC[NH+](CC)CC(=O)NC1(CO)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001080868551 812307467 /nfs/dbraw/zinc/30/74/67/812307467.db2.gz FCMWSNUCKDMMLC-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@H+](CCCC[NH3+])C2 ZINC001235547962 812497119 /nfs/dbraw/zinc/49/71/19/812497119.db2.gz ULZYLMMETGURMN-QGZVFWFLSA-N 2 0 348.451 -0.201 20 0 EBADRP CNc1nc(SC)ncc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871989 812514712 /nfs/dbraw/zinc/51/47/12/812514712.db2.gz WVJZNZKHDOZTNG-UHFFFAOYSA-N 2 0 339.513 -0.175 20 0 EBADRP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CCC[C@@H](N4CC(C[NH3+])C4)C3)[C@@H](O)[C@@H]2O1 ZINC001236079243 812515833 /nfs/dbraw/zinc/51/58/33/812515833.db2.gz MXNAIIJQOZEMKL-LEOABGAYSA-N 2 0 341.452 -0.421 20 0 EBADRP C(CN1CCOCC1)C[N@H+](CC1CC[NH2+]CC1)C[C@H]1COCCN1 ZINC001236386007 812518585 /nfs/dbraw/zinc/51/85/85/812518585.db2.gz KINSKYNVHRKPND-SFHVURJKSA-N 2 0 340.512 -0.001 20 0 EBADRP O=C(c1cccc(NS(=O)(=O)[C@H]2CC[NH2+]C2)c1)N1CC[NH2+]CC1 ZINC001237818137 812522658 /nfs/dbraw/zinc/52/26/58/812522658.db2.gz XIGMCNJXQNWWOR-AWEZNQCLSA-N 2 0 338.433 -0.164 20 0 EBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238243723 812525305 /nfs/dbraw/zinc/52/53/05/812525305.db2.gz VKCHBFUHUXZCTD-AWEZNQCLSA-N 3 0 330.498 -0.220 20 0 EBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001238329007 812526449 /nfs/dbraw/zinc/52/64/49/812526449.db2.gz SDSMONIOZZEYGJ-CABCVRRESA-N 2 0 347.481 -0.700 20 0 EBADRP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1CN(S(=O)(=O)[C@@H]1CC[NH2+]C1)C2 ZINC001239063243 812540159 /nfs/dbraw/zinc/54/01/59/812540159.db2.gz DBXQZWOJHOWEHI-VVSAWPALSA-N 2 0 343.449 -0.991 20 0 EBADRP COC(=O)c1cc(S(=O)(=O)N(CC[NH3+])CC[NH3+])c(C)cc1O ZINC001239096131 812544584 /nfs/dbraw/zinc/54/45/84/812544584.db2.gz CFIVNHRRFAIMNJ-UHFFFAOYSA-N 2 0 331.394 -0.605 20 0 EBADRP [NH3+]CC1CN([C@H]2CCCN(S(=O)(=O)CC3CC[NH2+]CC3)C2)C1 ZINC001239112677 812544908 /nfs/dbraw/zinc/54/49/08/812544908.db2.gz CJLGODIXJOXKSA-HNNXBMFYSA-N 2 0 330.498 -0.329 20 0 EBADRP Cc1ccccc1S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239131671 812547388 /nfs/dbraw/zinc/54/73/88/812547388.db2.gz TUPIZUDRIQPLQJ-UHFFFAOYSA-N 2 0 342.465 -0.200 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(S(=O)(=O)C1CC[NH2+]CC1)CC2 ZINC001239173507 812549333 /nfs/dbraw/zinc/54/93/33/812549333.db2.gz RMMBZODDRHPQQZ-TZMCWYRMSA-N 2 0 331.438 -0.705 20 0 EBADRP O[C@H](C[NH2+][C@H]1CCCC[C@@]12CNCCO2)CC1(O)CC[NH2+]CC1 ZINC001245981297 812557069 /nfs/dbraw/zinc/55/70/69/812557069.db2.gz CNCUNLVKDDMIEZ-YQQAZPJKSA-N 2 0 327.469 -0.257 20 0 EBADRP CCOC1(OCC)CC[NH2+]C[C@H]1NC[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001245982101 812557532 /nfs/dbraw/zinc/55/75/32/812557532.db2.gz JYJRSABOYAOKNJ-HUUCEWRRSA-N 2 0 345.484 -0.427 20 0 EBADRP O[C@@H](C[NH+]1CCC(N2CC[NH2+]CC2)CC1)CC1(O)CC[NH2+]CC1 ZINC001246050379 812560353 /nfs/dbraw/zinc/56/03/53/812560353.db2.gz GBYZWJWQAYLHKF-MRXNPFEDSA-N 3 0 326.485 -0.779 20 0 EBADRP O[C@@H](COc1ccc(F)cc1)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246054504 812562121 /nfs/dbraw/zinc/56/21/21/812562121.db2.gz JNWPKHOPEKJSPQ-MRXNPFEDSA-N 2 0 340.443 -0.350 20 0 EBADRP [NH3+]C1CCN([C@H]2CC[N@H+](C[C@H](O)CC3(O)CC[NH2+]CC3)C2)CC1 ZINC001246072311 812563824 /nfs/dbraw/zinc/56/38/24/812563824.db2.gz YUZWRXCBFVUOHB-JKSUJKDBSA-N 3 0 326.485 -0.651 20 0 EBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CN1 ZINC001246141218 812565803 /nfs/dbraw/zinc/56/58/03/812565803.db2.gz CYMRXOOLNDNBBW-HOSILWTGSA-N 2 0 327.425 -0.735 20 0 EBADRP O=C([C@@H]1C[C@@H]([NH2+]C[C@@H]2COC3(C[NH2+]C3)C2)CN1)N1CCSC1 ZINC001246133047 812566266 /nfs/dbraw/zinc/56/62/66/812566266.db2.gz JCPHYECNBDPVQY-UPJWGTAASA-N 2 0 326.466 -0.782 20 0 EBADRP O=C([C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)CN1)N1CCSC1 ZINC001246132950 812566435 /nfs/dbraw/zinc/56/64/35/812566435.db2.gz GQOJGZQJYCYGNQ-BJJPWKGXSA-N 2 0 326.466 -0.784 20 0 EBADRP CC[C@]1(C(=O)OC)C[C@H]([NH2+]C[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CN1 ZINC001246147222 812567318 /nfs/dbraw/zinc/56/73/18/812567318.db2.gz WIRVYJHECPJCPA-YQFWSFKMSA-N 2 0 341.452 -0.345 20 0 EBADRP O=C([C@@H]1C[C@@H]([NH2+]CCC2(O)CC[NH2+]CC2)CN1)N1CCSC1 ZINC001246187221 812567516 /nfs/dbraw/zinc/56/75/16/812567516.db2.gz NPBDCRJYATXXEU-OLZOCXBDSA-N 2 0 328.482 -0.656 20 0 EBADRP CN(c1ncccc1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)S(C)(=O)=O ZINC001246212085 812568399 /nfs/dbraw/zinc/56/83/99/812568399.db2.gz UPGUVQGPCSIVAP-ZDUSSCGKSA-N 2 0 339.465 -0.339 20 0 EBADRP CC[C@@]1(C(=O)OC)C[C@H]([NH2+]CCOCCOCCOCC[NH3+])CN1 ZINC001246289002 812569920 /nfs/dbraw/zinc/56/99/20/812569920.db2.gz MXMIPELBWNLEHO-HOCLYGCPSA-N 2 0 347.456 -0.732 20 0 EBADRP COC(=O)[C@H]1C[C@@H]([NH2+]CCNCC[NH3+])CCN1C(=O)c1ccccc1 ZINC001246402874 812571746 /nfs/dbraw/zinc/57/17/46/812571746.db2.gz BUVPEPCCPLUYGN-JKSUJKDBSA-N 2 0 348.447 -0.029 20 0 EBADRP C[C@H]1C[C@@H](n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)CC[NH2+]1 ZINC001246483990 812573716 /nfs/dbraw/zinc/57/37/16/812573716.db2.gz WSGIVRQOGTZCAT-JURCDPSOSA-N 2 0 348.451 -0.458 20 0 EBADRP CS(=O)(=O)c1cccc([C@H](CO)[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246489257 812574179 /nfs/dbraw/zinc/57/41/79/812574179.db2.gz MQAPBAKKCYBSLP-HIFRSBDPSA-N 2 0 339.461 -0.193 20 0 EBADRP O=C([C@@H]1C[C@H](N2CCC[C@]3(C[NH2+]CCO3)C2)C[NH2+]1)N1CCSC1 ZINC001246647055 812578348 /nfs/dbraw/zinc/57/83/48/812578348.db2.gz GRRMYARDZVATGC-DZKIICNBSA-N 2 0 340.493 -0.296 20 0 EBADRP C1[NH2+]CC12C[C@@H]([NH+]1CCN(C3=NOC4(C3)CC[NH2+]CC4)CC1)CCO2 ZINC001246668899 812580535 /nfs/dbraw/zinc/58/05/35/812580535.db2.gz PRXIHYZKNRFJDH-HNNXBMFYSA-N 3 0 349.479 -0.019 20 0 EBADRP O=C1C[C@@]2(CC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)CN1c1cncnc1 ZINC001246772954 812588028 /nfs/dbraw/zinc/58/80/28/812588028.db2.gz CKUXSKFCCJXPBL-RHSMWYFYSA-N 2 0 342.447 -0.001 20 0 EBADRP C1COC2(CCC(N3CC[NH2+]CCNCC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246821205 812588965 /nfs/dbraw/zinc/58/89/65/812588965.db2.gz MQZICEDFNLKEAS-UHFFFAOYSA-N 3 0 325.501 -0.628 20 0 EBADRP COC(=O)C[C@H]1C[NH2+]CCN1[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246817913 812589047 /nfs/dbraw/zinc/58/90/47/812589047.db2.gz OHHCRTZIAPZAPU-AVGNSLFASA-N 2 0 342.465 -0.913 20 0 EBADRP O=C([C@@H]1C[C@@H](N(C2COC2)C2CC[NH2+]CC2)C[NH2+]1)N1CCSC1 ZINC001246843621 812590168 /nfs/dbraw/zinc/59/01/68/812590168.db2.gz GPNLOJZCAUFIQF-HIFRSBDPSA-N 2 0 340.493 -0.297 20 0 EBADRP O=C(NC1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1)N1CCOCC1 ZINC001246953532 812592848 /nfs/dbraw/zinc/59/28/48/812592848.db2.gz BVSKLRXXSYLTFU-OAHLLOKOSA-N 2 0 337.468 -0.413 20 0 EBADRP O=C(NC1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1)N1CCOCC1 ZINC001246953527 812592948 /nfs/dbraw/zinc/59/29/48/812592948.db2.gz BVSKLRXXSYLTFU-HNNXBMFYSA-N 2 0 337.468 -0.413 20 0 EBADRP CC(C)S(=O)(=O)N([C@H]1CCC[NH2+]C1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246966524 812594852 /nfs/dbraw/zinc/59/48/52/812594852.db2.gz YLXQREJNKWGRHH-KBPBESRZSA-N 2 0 330.498 -0.127 20 0 EBADRP CCOC(=O)[C@H]1C[N@@H+]([C@H]2CN[C@@H](C(=O)OC)C2)CCC12C[NH2+]C2 ZINC001247008124 812595775 /nfs/dbraw/zinc/59/57/75/812595775.db2.gz LRNOKBYRTOBWEG-JHJVBQTASA-N 2 0 325.409 -0.636 20 0 EBADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@@H]1C[NH2+]Cc2ccccc21)O3 ZINC001247008936 812596261 /nfs/dbraw/zinc/59/62/61/812596261.db2.gz MEHKVPXDGZHRGJ-OJLVUWQFSA-N 2 0 335.429 -0.024 20 0 EBADRP COC(=O)[C@H](CCc1cn(C)cn1)NC(=S)NCC[NH+](C)C ZINC001249851754 812609507 /nfs/dbraw/zinc/60/95/07/812609507.db2.gz IIUDSRJNDPNHCQ-LBPRGKRZSA-N 2 0 327.454 -0.080 20 0 EBADRP CC[NH+](CC)CCN1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC001251002751 812612887 /nfs/dbraw/zinc/61/28/87/812612887.db2.gz VDBLVDMQVXHQNI-KRWDZBQOSA-N 2 0 328.501 -0.361 20 0 EBADRP CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001253796561 812687487 /nfs/dbraw/zinc/68/74/87/812687487.db2.gz KVACWYRZHQBORC-OWCLPIDISA-N 2 0 344.452 -0.030 20 0 EBADRP [NH3+]CCCOCCOCCOCCC[NH2+][C@H]1CCS(=O)(=O)C1 ZINC001254316678 812700509 /nfs/dbraw/zinc/70/05/09/812700509.db2.gz ALSMFQQEPVKJEL-AWEZNQCLSA-N 2 0 338.470 -0.448 20 0 EBADRP C[N@@H+]1CC[C@H](N(Cc2ncn3c2C[NH2+]CCC3)S(C)(=O)=O)C1 ZINC001255430569 812713732 /nfs/dbraw/zinc/71/37/32/812713732.db2.gz ZQKCJWKQFRFVRD-LBPRGKRZSA-N 2 0 327.454 -0.158 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001261437952 812906413 /nfs/dbraw/zinc/90/64/13/812906413.db2.gz QHBPFKRIFOJUFR-INIZCTEOSA-N 3 0 327.517 -0.790 20 0 EBADRP CN(C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)C1(C[NH3+])CCCCC1 ZINC001262063874 813030610 /nfs/dbraw/zinc/03/06/10/813030610.db2.gz LLRJSFJTOGZOLI-CQSZACIVSA-N 2 0 339.484 -0.532 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NCCC(C)(C)[NH3+])CCCO1 ZINC001262061105 813030711 /nfs/dbraw/zinc/03/07/11/813030711.db2.gz RHPOSLDKYSVJAC-ZDUSSCGKSA-N 2 0 328.457 -0.153 20 0 EBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC001262068692 813031574 /nfs/dbraw/zinc/03/15/74/813031574.db2.gz ISAQKEUFXYYDGH-CQSZACIVSA-N 2 0 337.468 -0.907 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1O ZINC001081505454 813094359 /nfs/dbraw/zinc/09/43/59/813094359.db2.gz GKMWLUCOXAGPSU-LSDHHAIUSA-N 2 0 342.484 -0.395 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)C[NH+](C)C ZINC001262550553 813096097 /nfs/dbraw/zinc/09/60/97/813096097.db2.gz XKWKUQTZWAZMFM-ZQIUZPCESA-N 2 0 340.468 -0.343 20 0 EBADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC001262731084 813099767 /nfs/dbraw/zinc/09/97/67/813099767.db2.gz CUXJWNOOYBQULC-LBPRGKRZSA-N 2 0 334.424 -0.091 20 0 EBADRP [NH3+]CCN1CCC[C@H](C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1=O ZINC001263178940 813108848 /nfs/dbraw/zinc/10/88/48/813108848.db2.gz ZYDSBXIMRXQHMG-ZIAGYGMSSA-N 2 0 338.452 -0.541 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001263850134 813128212 /nfs/dbraw/zinc/12/82/12/813128212.db2.gz HHPLIDHLGQLXLG-MELADBBJSA-N 2 0 346.497 -0.638 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]CCCO)cn1 ZINC001263944304 813136555 /nfs/dbraw/zinc/13/65/55/813136555.db2.gz YQNPYGGQBQLQDM-VNQPRFMTSA-N 2 0 335.452 -0.362 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001081553353 813165715 /nfs/dbraw/zinc/16/57/15/813165715.db2.gz IJNYIUCSHJDAOW-GJZGRUSLSA-N 2 0 342.484 -0.396 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001081554072 813169759 /nfs/dbraw/zinc/16/97/59/813169759.db2.gz REAGWNVXNKTRFA-CABCVRRESA-N 2 0 342.484 -0.396 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001264971042 813208308 /nfs/dbraw/zinc/20/83/08/813208308.db2.gz GZMCMKBAAWYQMR-NWDGAFQWSA-N 2 0 327.429 -0.637 20 0 EBADRP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)N1CCOCC1 ZINC001265145944 813247502 /nfs/dbraw/zinc/24/75/02/813247502.db2.gz HERYHQUVDISGIW-HNNXBMFYSA-N 2 0 340.468 -0.375 20 0 EBADRP COC[C@H](O)C[NH+]1CCN(CCCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001265254277 813276678 /nfs/dbraw/zinc/27/66/78/813276678.db2.gz FTIXNJTYQFTVQB-JKSUJKDBSA-N 2 0 342.484 -0.931 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCN1C(=O)CCC1=O)C1CC1 ZINC001265349737 813309704 /nfs/dbraw/zinc/30/97/04/813309704.db2.gz HCVHYQFHABQVIP-KGLIPLIRSA-N 2 0 336.436 -0.286 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCN1C(=O)CCC1=O)C1CC1 ZINC001265349739 813309849 /nfs/dbraw/zinc/30/98/49/813309849.db2.gz HCVHYQFHABQVIP-ZIAGYGMSSA-N 2 0 336.436 -0.286 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001265508231 813333734 /nfs/dbraw/zinc/33/37/34/813333734.db2.gz AEQVGOGXBNAFLJ-XUXIUFHCSA-N 2 0 346.497 -0.355 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081636133 813344540 /nfs/dbraw/zinc/34/45/40/813344540.db2.gz ZLKQJXDYMXARGC-UONOGXRCSA-N 2 0 328.457 -0.785 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CCS(C)(=O)=O)C1 ZINC001265690926 813359068 /nfs/dbraw/zinc/35/90/68/813359068.db2.gz AHBRXFKGIQPXGP-KGLIPLIRSA-N 2 0 331.482 -0.047 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CCN1C(=O)CNC1=O)[NH+](C)C ZINC001265852646 813386304 /nfs/dbraw/zinc/38/63/04/813386304.db2.gz GWQTXAVJSGGRTL-DGCLKSJQSA-N 2 0 327.429 -0.781 20 0 EBADRP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C[C@H](O)CN1CCCC1=O ZINC001265902185 813409038 /nfs/dbraw/zinc/40/90/38/813409038.db2.gz KCLOYKQLLUMQOW-LSDHHAIUSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001081703390 813442319 /nfs/dbraw/zinc/44/23/19/813442319.db2.gz PWCGRBFKVPBGLY-LSDHHAIUSA-N 2 0 342.484 -0.395 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081703648 813442445 /nfs/dbraw/zinc/44/24/45/813442445.db2.gz SUYNDWHYRXFHDF-GJZGRUSLSA-N 2 0 342.484 -0.396 20 0 EBADRP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)NC(N)=O ZINC001266042519 813444226 /nfs/dbraw/zinc/44/42/26/813444226.db2.gz FTOOTOQZPOMERB-VXGBXAGGSA-N 2 0 327.429 -0.650 20 0 EBADRP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CCC(=O)NC1=O ZINC001266042958 813445811 /nfs/dbraw/zinc/44/58/11/813445811.db2.gz QYAUMRZZORDAEC-MGPQQGTHSA-N 2 0 338.452 -0.040 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081736652 813494688 /nfs/dbraw/zinc/49/46/88/813494688.db2.gz YQUCNMFPJOIGDQ-KBPBESRZSA-N 2 0 328.457 -0.786 20 0 EBADRP Cn1cc(CN2CC[NH+](CCCNC(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001266277701 813506006 /nfs/dbraw/zinc/50/60/06/813506006.db2.gz MVUGXATWMLCVSH-KRWDZBQOSA-N 2 0 348.495 -0.004 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081773599 813537154 /nfs/dbraw/zinc/53/71/54/813537154.db2.gz CZVOKKYBDVOCLU-CABCVRRESA-N 2 0 340.468 -0.641 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081773602 813537889 /nfs/dbraw/zinc/53/78/89/813537889.db2.gz CZVOKKYBDVOCLU-LSDHHAIUSA-N 2 0 340.468 -0.641 20 0 EBADRP CC(=O)NCCOCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001266339453 813538483 /nfs/dbraw/zinc/53/84/83/813538483.db2.gz QLMJNHXEBFWONS-MRXNPFEDSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001266545529 813604874 /nfs/dbraw/zinc/60/48/74/813604874.db2.gz UIRMNFHHCFNGQO-LBPRGKRZSA-N 2 0 325.413 -0.930 20 0 EBADRP CN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266744680 813659474 /nfs/dbraw/zinc/65/94/74/813659474.db2.gz SKEUXTRUEDWCOZ-LBPRGKRZSA-N 2 0 325.413 -0.930 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+]CC(=O)NC(=O)NC)C1 ZINC001266812887 813676556 /nfs/dbraw/zinc/67/65/56/813676556.db2.gz ALPKOACSCYFRBZ-ZDUSSCGKSA-N 2 0 341.456 -0.388 20 0 EBADRP C[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001267003024 813729596 /nfs/dbraw/zinc/72/95/96/813729596.db2.gz YMBIKJGHQUNSBN-KGLIPLIRSA-N 2 0 328.457 -0.737 20 0 EBADRP COCCOC[C@H](O)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001267015973 813734884 /nfs/dbraw/zinc/73/48/84/813734884.db2.gz APUBXXMOUPSTQD-JKSUJKDBSA-N 2 0 343.468 -0.457 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)C1)[NH+](C)C ZINC001267046437 813745332 /nfs/dbraw/zinc/74/53/32/813745332.db2.gz DGGMUSVCQAPUDX-UONOGXRCSA-N 2 0 348.513 -0.344 20 0 EBADRP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CCN1CCCS1(=O)=O)[NH+](C)C ZINC001267458609 813902644 /nfs/dbraw/zinc/90/26/44/813902644.db2.gz JCHZNNZSGULVSR-AWEZNQCLSA-N 2 0 348.513 -0.344 20 0 EBADRP CO[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368752 813923252 /nfs/dbraw/zinc/92/32/52/813923252.db2.gz MCJLYUZKWQUPMU-ARFHVFGLSA-N 2 0 335.452 -0.270 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082448153 813947119 /nfs/dbraw/zinc/94/71/19/813947119.db2.gz GGILYDDNAYBQCW-RBSFLKMASA-N 2 0 338.452 -0.624 20 0 EBADRP CC(=O)NCCOCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267622215 813957974 /nfs/dbraw/zinc/95/79/74/813957974.db2.gz QONQSLJCUKGILZ-JKSUJKDBSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001082515757 813962259 /nfs/dbraw/zinc/96/22/59/813962259.db2.gz XKYFZMBMKOVFFL-KWCYVHTRSA-N 2 0 348.451 -0.613 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082596391 813975662 /nfs/dbraw/zinc/97/56/62/813975662.db2.gz JIRJMMGZIOTHDZ-KFWWJZLASA-N 2 0 337.468 -0.068 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C)C(N)=O ZINC001082798462 814009827 /nfs/dbraw/zinc/00/98/27/814009827.db2.gz VPJVELPJROJJCR-YRGRVCCFSA-N 2 0 336.440 -0.631 20 0 EBADRP CC(=O)NCCOCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267755047 814027304 /nfs/dbraw/zinc/02/73/04/814027304.db2.gz ZKJOITJRQNYDGN-HUUCEWRRSA-N 2 0 326.441 -0.719 20 0 EBADRP Cn1cc(CC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)[NH+]2CCCC2)cn1 ZINC001268318135 814195758 /nfs/dbraw/zinc/19/57/58/814195758.db2.gz VBEFSCBOXKSGJO-OAHLLOKOSA-N 2 0 337.468 -0.096 20 0 EBADRP C[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083234954 814225292 /nfs/dbraw/zinc/22/52/92/814225292.db2.gz FFTXSUMWBBJMRU-VNQPRFMTSA-N 2 0 341.452 -0.610 20 0 EBADRP CCN(CC[NH2+]CC(=O)NC(=O)NC)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001268493806 814264133 /nfs/dbraw/zinc/26/41/33/814264133.db2.gz VMHSSHBFMYZVCA-ZDUSSCGKSA-N 2 0 329.445 -0.534 20 0 EBADRP O=C(NC/C=C\C[NH2+]CCCN1C(=O)CNC1=O)C12CC[NH+](CC1)C2 ZINC001268614038 814319550 /nfs/dbraw/zinc/31/95/50/814319550.db2.gz SFXQMAMNZWWBIG-UPHRSURJSA-N 2 0 349.435 -0.714 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCCN(C)C(=O)CC[NH+](C)C)CCO1 ZINC001268836993 814407575 /nfs/dbraw/zinc/40/75/75/814407575.db2.gz ZVHFWSOQHPXTQC-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1CN2CCCN1C(=O)CNC1=O ZINC001268965055 814459511 /nfs/dbraw/zinc/45/95/11/814459511.db2.gz HZRXFHYQGRAGJJ-STQMWFEESA-N 2 0 337.424 -0.835 20 0 EBADRP Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465641 814461272 /nfs/dbraw/zinc/46/12/72/814461272.db2.gz MDHMAFNHTJNQGC-BBWFWOEESA-N 2 0 347.463 -0.534 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCCN2C(=O)CNC2=O)C1 ZINC001269187279 814572314 /nfs/dbraw/zinc/57/23/14/814572314.db2.gz QBKSLEQLQIRJIO-CYBMUJFWSA-N 2 0 339.440 -0.539 20 0 EBADRP O=C(CC[NH+]1CCCCC1)NC[C@@H]1CCN1[C@@H]1CCC(=O)NC1=O ZINC001269352181 814656495 /nfs/dbraw/zinc/65/64/95/814656495.db2.gz SDWIJAMZAZPYIU-UONOGXRCSA-N 2 0 336.436 -0.142 20 0 EBADRP CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CCNS(C)(=O)=O ZINC001269433553 814690841 /nfs/dbraw/zinc/69/08/41/814690841.db2.gz XZDPNWJUHOGPNL-CYBMUJFWSA-N 2 0 346.497 -0.352 20 0 EBADRP C[NH+](C)CCN1CC2(CN(C(=O)CC[NH+]3CCCC3)C2)OCC1=O ZINC001269517900 814716536 /nfs/dbraw/zinc/71/65/36/814716536.db2.gz KIGMNPDOEKCXDC-UHFFFAOYSA-N 2 0 338.452 -0.526 20 0 EBADRP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)cn1 ZINC001083749547 814753239 /nfs/dbraw/zinc/75/32/39/814753239.db2.gz FHVCETZNWOBNLK-SJORKVTESA-N 2 0 349.479 -0.051 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@@H]2O)CC1 ZINC001083749622 814754043 /nfs/dbraw/zinc/75/40/43/814754043.db2.gz IXYROTZURGCZNA-IMJJTQAJSA-N 2 0 325.453 -0.084 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CC[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001269798857 815609325 /nfs/dbraw/zinc/60/93/25/815609325.db2.gz PNEMXTLKCSPMQQ-ZDUSSCGKSA-N 2 0 339.440 -0.505 20 0 EBADRP CCOCCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001270021808 815664124 /nfs/dbraw/zinc/66/41/24/815664124.db2.gz INVHLLSEKLNVHL-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O)[NH+](C)C ZINC001270165307 815706226 /nfs/dbraw/zinc/70/62/26/815706226.db2.gz KUORALCDBWUXIG-OLZOCXBDSA-N 2 0 339.440 -0.541 20 0 EBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CCN(C)S(C)(=O)=O ZINC001270568605 815815072 /nfs/dbraw/zinc/81/50/72/815815072.db2.gz NSABKOOCPMHPJS-CYBMUJFWSA-N 2 0 346.497 -0.685 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001086047532 816215405 /nfs/dbraw/zinc/21/54/05/816215405.db2.gz UHSSXKBWQODHBK-FRRDWIJNSA-N 2 0 337.424 -0.883 20 0 EBADRP Cn1ncnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001086091905 816226505 /nfs/dbraw/zinc/22/65/05/816226505.db2.gz RZSNBMSAMDOMBA-BARDWOONSA-N 2 0 348.451 -0.337 20 0 EBADRP Cn1ncc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)n1 ZINC001086091819 816226886 /nfs/dbraw/zinc/22/68/86/816226886.db2.gz ORXPCIYOILJHQW-OCVGTWLNSA-N 2 0 348.451 -0.337 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CC[N@@H+]1C ZINC001086090113 816227265 /nfs/dbraw/zinc/22/72/65/816227265.db2.gz IAJBTXTUIGBSNR-RGDJUOJXSA-N 2 0 336.436 -0.384 20 0 EBADRP O=C(NC[C@@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001086153214 816249748 /nfs/dbraw/zinc/24/97/48/816249748.db2.gz YTCDLSGPKLKELD-MWSRPQJLSA-N 2 0 348.447 -0.778 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001086327887 816299009 /nfs/dbraw/zinc/29/90/09/816299009.db2.gz SYTOZADPFGPNSD-KKUMJFAQSA-N 2 0 338.452 -0.576 20 0 EBADRP Cn1nncc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001086373002 816311483 /nfs/dbraw/zinc/31/14/83/816311483.db2.gz HHCKDODCFSCNCN-KQTLUZQSSA-N 2 0 348.451 -0.337 20 0 EBADRP Cc1nccnc1C[NH2+]CCN(CCO)C(=O)[C@H]1CN(C)CCO1 ZINC001272135663 816323086 /nfs/dbraw/zinc/32/30/86/816323086.db2.gz AWJRFVULBNFQSF-OAHLLOKOSA-N 2 0 337.424 -0.974 20 0 EBADRP CN(C)C(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001272196865 816347948 /nfs/dbraw/zinc/34/79/48/816347948.db2.gz PYNQRXODJXGGHD-GJZGRUSLSA-N 2 0 340.468 -0.498 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086659868 816389869 /nfs/dbraw/zinc/38/98/69/816389869.db2.gz OFHNRDOLUQULLH-ZNMIVQPWSA-N 2 0 337.468 -0.020 20 0 EBADRP O=C(NC[C@@H](O)C[NH2+]CCn1cccn1)C12CCC[NH+](CCC1)C2 ZINC001272453024 816435793 /nfs/dbraw/zinc/43/57/93/816435793.db2.gz KAIZEGOELDVTIF-HNNXBMFYSA-N 2 0 335.452 -0.174 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)CCc3cncn3C)C[C@H]2[NH2+]CCO)cn1 ZINC001087007988 816443649 /nfs/dbraw/zinc/44/36/49/816443649.db2.gz GSZJKNJVKAEKTJ-JKSUJKDBSA-N 2 0 346.435 -0.337 20 0 EBADRP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCN1C ZINC001272565978 816478184 /nfs/dbraw/zinc/47/81/84/816478184.db2.gz UNYAQPSLIBFIKB-NPYXIHBLSA-N 2 0 337.512 -0.095 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001272566475 816478549 /nfs/dbraw/zinc/47/85/49/816478549.db2.gz XMTSFXIAXUTODZ-STQMWFEESA-N 2 0 341.456 -0.390 20 0 EBADRP CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001087256696 816485394 /nfs/dbraw/zinc/48/53/94/816485394.db2.gz GBVYVBCUMZGPQS-STQMWFEESA-N 2 0 335.408 -0.229 20 0 EBADRP C[C@H](CC[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001272688958 816507926 /nfs/dbraw/zinc/50/79/26/816507926.db2.gz USLXHBGJZMINKK-DGCLKSJQSA-N 2 0 339.440 -0.447 20 0 EBADRP CC[C@H](C(N)=O)N1C[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273029870 816570416 /nfs/dbraw/zinc/57/04/16/816570416.db2.gz GSFZUVZNQGGACQ-PBHICJAKSA-N 2 0 338.452 -0.447 20 0 EBADRP O=C1COC2(CN(CC3CC[NH2+]CC3)C2)CN1CCn1ccnc1 ZINC001273030751 816571094 /nfs/dbraw/zinc/57/10/94/816571094.db2.gz NOVQBLKQHSDTBW-UHFFFAOYSA-N 3 0 333.436 -0.204 20 0 EBADRP C[C@@H](CC[NH2+]CC(=O)N1CCC1)NC(=O)COC1CC[NH+](C)CC1 ZINC001273097858 816585816 /nfs/dbraw/zinc/58/58/16/816585816.db2.gz GGMLOKDTAGBJFI-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)C[NH+]1CCCC1 ZINC001273183405 816601383 /nfs/dbraw/zinc/60/13/83/816601383.db2.gz KLWIWSLBAXYTKN-CQSZACIVSA-N 2 0 326.441 -0.575 20 0 EBADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@H+](Cc3nccnc3N)C2)C1=O ZINC001273275983 816627385 /nfs/dbraw/zinc/62/73/85/816627385.db2.gz YJRAFSHNRINVEG-QGZVFWFLSA-N 2 0 346.435 -0.039 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)CC[C@@H]3C2)CC1 ZINC001088154087 816637073 /nfs/dbraw/zinc/63/70/73/816637073.db2.gz XFHYURHSEGCCJY-KGLIPLIRSA-N 2 0 338.452 -0.637 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCC4)CC[C@@H]3C2)C1 ZINC001088199353 816648183 /nfs/dbraw/zinc/64/81/83/816648183.db2.gz KWVCSUBFOCWEJI-PMPSAXMXSA-N 2 0 334.464 -0.049 20 0 EBADRP CCOC(=O)CC[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273469283 816680398 /nfs/dbraw/zinc/68/03/98/816680398.db2.gz DYZBHPOPUNFQQI-INIZCTEOSA-N 2 0 327.425 -0.196 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001273554167 816696038 /nfs/dbraw/zinc/69/60/38/816696038.db2.gz HDLBBSAWBOZLGC-ZDUSSCGKSA-N 2 0 341.456 -0.246 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC[NH+]1CCN1CCNC1=O ZINC001088859953 816754069 /nfs/dbraw/zinc/75/40/69/816754069.db2.gz QSWKCNUORJDWRJ-ZNMIVQPWSA-N 2 0 337.468 -0.068 20 0 EBADRP CC(=O)NCC[N@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001274001222 816838341 /nfs/dbraw/zinc/83/83/41/816838341.db2.gz YWHXGESDNDHZDM-INIZCTEOSA-N 2 0 326.441 -0.765 20 0 EBADRP Cn1nncc1C[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274129355 816874917 /nfs/dbraw/zinc/87/49/17/816874917.db2.gz AYFMSAIVNMIOKE-MRXNPFEDSA-N 2 0 334.424 -0.282 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001274263522 816912919 /nfs/dbraw/zinc/91/29/19/816912919.db2.gz RVAMRQKWQNQGTA-YWVDXFKGSA-N 2 0 337.424 -0.669 20 0 EBADRP CN(CC[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1)S(C)(=O)=O ZINC001275324091 817196434 /nfs/dbraw/zinc/19/64/34/817196434.db2.gz QZAQMCUWLRFQCC-UHFFFAOYSA-N 2 0 346.497 -0.542 20 0 EBADRP CN(CCC[NH2+]Cc1cnnn1C)C(=O)COC1CC[NH+](C)CC1 ZINC001276305185 817383526 /nfs/dbraw/zinc/38/35/26/817383526.db2.gz CECCNVDWBQFYJG-UHFFFAOYSA-N 2 0 338.456 -0.136 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CCC[NH2+][C@H](C)C(=O)N(C)C ZINC001276386486 817395681 /nfs/dbraw/zinc/39/56/81/817395681.db2.gz CGSRSUQUUIHRFQ-HUUCEWRRSA-N 2 0 342.484 -0.131 20 0 EBADRP C[NH+](C)CCN1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001276456985 817407108 /nfs/dbraw/zinc/40/71/08/817407108.db2.gz BSMZJLFMMROBKG-BBWFWOEESA-N 2 0 336.480 -0.056 20 0 EBADRP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001276625750 817441459 /nfs/dbraw/zinc/44/14/59/817441459.db2.gz CEJXBSXJIQGSTL-BETUJISGSA-N 2 0 337.424 -0.357 20 0 EBADRP C[NH+](C)CCN1CCC12C[NH+](CC1CCN(S(C)(=O)=O)CC1)C2 ZINC001276712922 817457705 /nfs/dbraw/zinc/45/77/05/817457705.db2.gz DACFSYIBCHJAFS-UHFFFAOYSA-N 2 0 344.525 -0.020 20 0 EBADRP O=C(c1ccc(=O)[nH]n1)N1CCO[C@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]21 ZINC001276709363 817458114 /nfs/dbraw/zinc/45/81/14/817458114.db2.gz JKUKCFDNDLHPMA-CABCVRRESA-N 2 0 347.419 -0.293 20 0 EBADRP C[NH+]1CCC(NC(=O)[C@@H]2CC23C[NH+](CCN2CCOCC2)C3)CC1 ZINC001277023591 817511441 /nfs/dbraw/zinc/51/14/41/817511441.db2.gz ZQAGSOBSQNANHX-INIZCTEOSA-N 2 0 336.480 -0.149 20 0 EBADRP CC(C)[C@@H](C(=O)NCC1([NH2+]CCN2C(=O)CNC2=O)CC1)[NH+](C)C ZINC001277087026 817518735 /nfs/dbraw/zinc/51/87/35/817518735.db2.gz AMOXCNSZAIHVEO-ZDUSSCGKSA-N 2 0 339.440 -0.637 20 0 EBADRP CC[C@@H](C(=O)NCC1([NH2+]CCN2C(=O)CNC2=O)CC1)[NH+](C)C ZINC001277225496 817533710 /nfs/dbraw/zinc/53/37/10/817533710.db2.gz UFDGOBGKPUXTPU-NSHDSACASA-N 2 0 325.413 -0.883 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001277263736 817539833 /nfs/dbraw/zinc/53/98/33/817539833.db2.gz GLVDKRZBMBJCMH-VXGBXAGGSA-N 2 0 327.429 -0.589 20 0 EBADRP C[N@H+](CCOCCNC(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CCNC1=O ZINC001277501728 817582313 /nfs/dbraw/zinc/58/23/13/817582313.db2.gz VRUWKSYOKUJZJO-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[N@H+](CCCF)C[C@@H]2O)cn1 ZINC001090637218 817603132 /nfs/dbraw/zinc/60/31/32/817603132.db2.gz IUQFIBQGWGGNAS-GJZGRUSLSA-N 2 0 341.431 -0.031 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001090639781 817604602 /nfs/dbraw/zinc/60/46/02/817604602.db2.gz ZZSJSEVLWLPFBG-GJZGRUSLSA-N 2 0 339.440 -0.744 20 0 EBADRP COCCOC[C@@H](O)CN1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001277617304 817609843 /nfs/dbraw/zinc/60/98/43/817609843.db2.gz FQLXFBFTCUQNSH-HOTGVXAUSA-N 2 0 343.468 -0.363 20 0 EBADRP Cn1nnnc1NC(=O)C[C@H]1C[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]2O1 ZINC001277824876 817641300 /nfs/dbraw/zinc/64/13/00/817641300.db2.gz ZGWXSEJMJSHQMA-MCIONIFRSA-N 2 0 349.439 -0.372 20 0 EBADRP C[C@H](CO)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCN(C)C)C[C@@H]12 ZINC001277998118 817672290 /nfs/dbraw/zinc/67/22/90/817672290.db2.gz AESPULZGBAUVPS-JYJNAYRXSA-N 2 0 338.496 -0.311 20 0 EBADRP O=C(N[C@@H]1CC[N@@H+](CCn2cccn2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001090731607 817706034 /nfs/dbraw/zinc/70/60/34/817706034.db2.gz TXJHVLRPEZFJQZ-CABCVRRESA-N 2 0 333.436 -0.470 20 0 EBADRP O=C(NC[C@@H](CO)[NH2+]CCO[C@@H]1CC1(F)F)C12CC[NH+](CC1)C2 ZINC001278178161 817718881 /nfs/dbraw/zinc/71/88/81/817718881.db2.gz CJHCMTIESLXCEY-NWDGAFQWSA-N 2 0 333.379 -0.427 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H]1C ZINC001278324264 817741764 /nfs/dbraw/zinc/74/17/64/817741764.db2.gz FCKNXORHGPTTNN-QWHCGFSZSA-N 2 0 339.440 -0.543 20 0 EBADRP Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090811757 817765870 /nfs/dbraw/zinc/76/58/70/817765870.db2.gz DHUYYBRLWZDMEA-JKSUJKDBSA-N 2 0 335.452 -0.390 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](CCN2CCCC2=O)C[C@H]1O ZINC001090814180 817770445 /nfs/dbraw/zinc/77/04/45/817770445.db2.gz JHPKNLMVNRYQQN-LSDHHAIUSA-N 2 0 338.452 -0.744 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](C)(C[NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001278582363 817783313 /nfs/dbraw/zinc/78/33/13/817783313.db2.gz KYRMKYWNTBDSKC-ZFWWWQNUSA-N 2 0 346.497 -0.685 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C(C)(C)C1 ZINC001278691088 817795156 /nfs/dbraw/zinc/79/51/56/817795156.db2.gz XBVJMUZPAJDEMD-OLZOCXBDSA-N 2 0 338.452 -0.042 20 0 EBADRP C[C@@H]([NH2+]C1CC(CNC(=O)c2ccn(CC[NH+](C)C)n2)C1)C(N)=O ZINC001091032880 817844329 /nfs/dbraw/zinc/84/43/29/817844329.db2.gz NDNDBLBZUJRCCF-PNESKVBLSA-N 2 0 336.440 -0.584 20 0 EBADRP COCCC[N@@H+]1CC[C@](O)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001278815563 817844776 /nfs/dbraw/zinc/84/47/76/817844776.db2.gz GUIOQHVGUDDSHT-KRWDZBQOSA-N 2 0 343.468 -0.313 20 0 EBADRP CCOCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001278823373 817852292 /nfs/dbraw/zinc/85/22/92/817852292.db2.gz YSGCAJVMAIIAQY-NVXWUHKLSA-N 2 0 343.468 -0.456 20 0 EBADRP CN(C)C(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001279886024 818000486 /nfs/dbraw/zinc/00/04/86/818000486.db2.gz GDBAOGLKABKCBJ-HUUCEWRRSA-N 2 0 342.484 -0.395 20 0 EBADRP COc1nccc(C[NH2+]CCN(CCO)C(=O)C23CC[NH+](CC2)C3)n1 ZINC001279885746 818000503 /nfs/dbraw/zinc/00/05/03/818000503.db2.gz BWAGSVZTOIWMOE-UHFFFAOYSA-N 2 0 349.435 -0.509 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001091543176 818006914 /nfs/dbraw/zinc/00/69/14/818006914.db2.gz DTGZBCBRCMJBRI-VKJFTORMSA-N 2 0 349.479 -0.114 20 0 EBADRP Cc1cncn1CC(=O)N1CC[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001280115039 818021087 /nfs/dbraw/zinc/02/10/87/818021087.db2.gz OCTVBUAQWRNYKS-LBPRGKRZSA-N 2 0 336.396 -0.785 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C)[C@H](C)C2)C1 ZINC001094041926 818149412 /nfs/dbraw/zinc/14/94/12/818149412.db2.gz IPGQWIWHQSFFNL-MGPQQGTHSA-N 2 0 335.456 -0.264 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001094219382 818180157 /nfs/dbraw/zinc/18/01/57/818180157.db2.gz IVGYZXOFMCPLJM-JHJVBQTASA-N 2 0 336.440 -0.756 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001281457839 818188095 /nfs/dbraw/zinc/18/80/95/818188095.db2.gz LUYYIJXERXVUIJ-QWHCGFSZSA-N 2 0 334.486 -0.686 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCc2cn(C3C[NH+](C[C@H]4CCOC4)C3)nn2)C1 ZINC001094339116 818254420 /nfs/dbraw/zinc/25/44/20/818254420.db2.gz SBPRALQEMXBVGN-KGLIPLIRSA-N 2 0 348.451 -0.261 20 0 EBADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001282186716 818373404 /nfs/dbraw/zinc/37/34/04/818373404.db2.gz WZYXBKBTWKBOHO-NWDGAFQWSA-N 2 0 341.456 -0.249 20 0 EBADRP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]CCN1C(=O)CCC1=O ZINC001282185782 818373581 /nfs/dbraw/zinc/37/35/81/818373581.db2.gz QZQHQVUTFSGVQM-STQMWFEESA-N 2 0 338.452 -0.040 20 0 EBADRP CN(CC(C)(C)C[NH2+]CCNS(C)(=O)=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001282289808 818386372 /nfs/dbraw/zinc/38/63/72/818386372.db2.gz ZBCIVFJPQMYKMG-CYBMUJFWSA-N 2 0 348.513 -0.296 20 0 EBADRP O=C(N[C@@H]1CC(=O)N(C2C[NH+](CC3CC3)C2)C1)C12CC[NH+](CC1)C2 ZINC001094806074 818495508 /nfs/dbraw/zinc/49/55/08/818495508.db2.gz HEDZREMTQKYZBQ-CQSZACIVSA-N 2 0 332.448 -0.107 20 0 EBADRP CC[C@@H](CN1CC(N2C[C@@H](NC(=O)Cn3ccnc3)CC2=O)C1)OC ZINC001094823344 818519041 /nfs/dbraw/zinc/51/90/41/818519041.db2.gz VDBPHKYPVQRHLF-ZFWWWQNUSA-N 2 0 349.435 -0.291 20 0 EBADRP Cn1[nH]c(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)C[NH+]2CCCC2)C3)nc1=O ZINC001095057180 818555516 /nfs/dbraw/zinc/55/55/16/818555516.db2.gz MHSZTYSGQYTAAF-MJBXVCDLSA-N 2 0 348.451 -0.327 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NCCNC(=O)C[NH+]2CCCC2)cn1 ZINC001283025404 818591238 /nfs/dbraw/zinc/59/12/38/818591238.db2.gz ROVBHURCQAQEPA-UHFFFAOYSA-N 2 0 336.440 -0.614 20 0 EBADRP C[C@H](CCC[NH2+]CCN1C(=O)CCC1=O)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283277883 818733906 /nfs/dbraw/zinc/73/39/06/818733906.db2.gz DPXZAJKCTIKWOC-ZIAGYGMSSA-N 2 0 338.452 -0.038 20 0 EBADRP C[C@H](C(=O)N(C)C)[N@H+](C)CCOCCNC(=O)[C@H]1CCC[NH+]1C ZINC001283358519 818774735 /nfs/dbraw/zinc/77/47/35/818774735.db2.gz DCJFBSMJFVRWOK-ZIAGYGMSSA-N 2 0 328.457 -0.378 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]CCO[C@@H]2CC2(F)F)CC1 ZINC001283803390 818960229 /nfs/dbraw/zinc/96/02/29/818960229.db2.gz JKUQKEYVDDELNW-CHWSQXEVSA-N 2 0 335.395 -0.181 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC([N@@H+](CCO)CCCO)CC1 ZINC001098368662 819154508 /nfs/dbraw/zinc/15/45/08/819154508.db2.gz VHISTQZDTHVCIE-QGZVFWFLSA-N 2 0 339.480 -0.004 20 0 EBADRP C[C@H](O)C[N@H+](CCO)C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001098392790 819167580 /nfs/dbraw/zinc/16/75/80/819167580.db2.gz YSUCYPDEDQXITE-XJKSGUPXSA-N 2 0 327.469 -0.007 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CCC2=O)C1 ZINC001098398808 819170104 /nfs/dbraw/zinc/17/01/04/819170104.db2.gz MFUAWPXXZMPCFN-YJNKXOJESA-N 2 0 348.447 -0.191 20 0 EBADRP CC(C)(C(=O)N1CCC([N@H+](CCO)CC(N)=O)CC1)[NH+]1CCCC1 ZINC001098446041 819191389 /nfs/dbraw/zinc/19/13/89/819191389.db2.gz CHSIIEYMWTVSPK-UHFFFAOYSA-N 2 0 340.468 -0.369 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC([NH+](CCO)CC(N)=O)CC2)C1 ZINC001098477734 819208838 /nfs/dbraw/zinc/20/88/38/819208838.db2.gz HGXPFRJAYAQLES-CYBMUJFWSA-N 2 0 326.441 -0.901 20 0 EBADRP CNC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001098478824 819209379 /nfs/dbraw/zinc/20/93/79/819209379.db2.gz FWWVJCJUZYEOOF-DZGCQCFKSA-N 2 0 340.468 -0.785 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH+](CCO)CCCO)CC1 ZINC001098478981 819209624 /nfs/dbraw/zinc/20/96/24/819209624.db2.gz MWJNKMSKDBTSPG-HOCLYGCPSA-N 2 0 327.469 -0.148 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCS(C)(=O)=O)CC[N@@H+]1C ZINC001284419065 819223150 /nfs/dbraw/zinc/22/31/50/819223150.db2.gz YJEGTRRGINBVQU-MELADBBJSA-N 2 0 349.497 -0.830 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC([NH+](CCO)CC(=O)N(C)C)CC1 ZINC001098540425 819238570 /nfs/dbraw/zinc/23/85/70/819238570.db2.gz KKOHYBXKKDECBW-UHFFFAOYSA-N 2 0 342.484 -0.298 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC([NH+](CCO)C[C@H](O)COC)CC1 ZINC001098540375 819238620 /nfs/dbraw/zinc/23/86/20/819238620.db2.gz HBVIOUGVEWDHED-INIZCTEOSA-N 2 0 345.484 -0.379 20 0 EBADRP C[C@@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001098768163 819359631 /nfs/dbraw/zinc/35/96/31/819359631.db2.gz RQDRSQUVXAXXDZ-UKRRQHHQSA-N 2 0 348.451 -0.382 20 0 EBADRP O=C(N[C@]12CCC[C@H]1C[N@@H+](CCO)C2)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001098951565 819394506 /nfs/dbraw/zinc/39/45/06/819394506.db2.gz PBARAYCIFJRHOF-MVKZVMCQSA-N 2 0 335.448 -0.187 20 0 EBADRP C[N@H+](CC(=O)N[C@H]1CC[NH+](CCn2cccn2)C[C@H]1O)C1CCC1 ZINC001099879031 819819638 /nfs/dbraw/zinc/81/96/38/819819638.db2.gz DINFOFFLMNABNM-JKSUJKDBSA-N 2 0 335.452 -0.081 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001099893295 819846878 /nfs/dbraw/zinc/84/68/78/819846878.db2.gz XOHUUSPXSHQCKN-HUUCEWRRSA-N 2 0 343.468 -0.721 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[NH+](CCn2cncn2)C[C@H]1O ZINC001099899500 819868659 /nfs/dbraw/zinc/86/86/59/819868659.db2.gz UHIXMILAFCEINX-ZIAGYGMSSA-N 2 0 338.456 -0.440 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001099988349 819995709 /nfs/dbraw/zinc/99/57/09/819995709.db2.gz HENFDTLKDPJUPG-CABCVRRESA-N 2 0 340.468 -0.498 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CC[NH+](CCOCCO)C[C@H]2O)C1 ZINC001100009187 820022756 /nfs/dbraw/zinc/02/27/56/820022756.db2.gz UFZNRLRMHHZMCN-HUUCEWRRSA-N 2 0 343.468 -0.721 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001100041920 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820423612 /nfs/dbraw/zinc/42/36/12/820423612.db2.gz WCXAYRGPIWXGIF-JXQTWKCFSA-N 2 0 348.513 -0.250 20 0 EBADRP CC[C@H](C(=O)NCC1CC([NH2+]CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001100442489 820423700 /nfs/dbraw/zinc/42/37/00/820423700.db2.gz JUJWGRIUHFFNOF-HTAVTVPLSA-N 2 0 327.429 -0.733 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100636706 820496171 /nfs/dbraw/zinc/49/61/71/820496171.db2.gz GRYULTARFFHUAW-PNESKVBLSA-N 2 0 341.456 -0.343 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1CC([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001100676182 820507847 /nfs/dbraw/zinc/50/78/47/820507847.db2.gz JFOMCDNHZSHCLN-PNESKVBLSA-N 2 0 336.440 -0.423 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC2CC([NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001100678144 820508755 /nfs/dbraw/zinc/50/87/55/820508755.db2.gz AARLCNLTNVVYFJ-PNESKVBLSA-N 2 0 336.440 -0.565 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+]C[C@@H](O)COCCOC)C1 ZINC001100829896 820564536 /nfs/dbraw/zinc/56/45/36/820564536.db2.gz QIEQOZNBEXZYCT-UYSNPLJNSA-N 2 0 345.484 -0.164 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+]CCNS(=O)(=O)CC)C1 ZINC001100904708 820595325 /nfs/dbraw/zinc/59/53/25/820595325.db2.gz CNJGCKZABUXWDC-UHFFFAOYSA-N 2 0 348.513 -0.248 20 0 EBADRP CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001100986587 820632736 /nfs/dbraw/zinc/63/27/36/820632736.db2.gz VSHSNUKZSASONH-WLYUNCDWSA-N 2 0 340.468 -0.425 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461614 820797490 /nfs/dbraw/zinc/79/74/90/820797490.db2.gz KXFMQILWESGUKB-INMHGKMJSA-N 2 0 325.453 -0.130 20 0 EBADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320784 821069461 /nfs/dbraw/zinc/06/94/61/821069461.db2.gz SUWIAYVLIOKFPI-ZIAGYGMSSA-N 2 0 325.457 -0.353 20 0 EBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001102366372 821080317 /nfs/dbraw/zinc/08/03/17/821080317.db2.gz CIRORVFCUJEDHB-FRRDWIJNSA-N 2 0 339.440 -0.650 20 0 EBADRP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511258 821134834 /nfs/dbraw/zinc/13/48/34/821134834.db2.gz PJOCNINUFBNUJJ-ZIAGYGMSSA-N 2 0 328.457 -0.663 20 0 EBADRP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513492 821134881 /nfs/dbraw/zinc/13/48/81/821134881.db2.gz MWUYEATVNFPLJI-KFWWJZLASA-N 2 0 340.468 -0.473 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001102524969 821138330 /nfs/dbraw/zinc/13/83/30/821138330.db2.gz GGGQTTXCTRSJRD-CHWSQXEVSA-N 2 0 341.456 -0.532 20 0 EBADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103643504 821336345 /nfs/dbraw/zinc/33/63/45/821336345.db2.gz MYXKSLZDFJJVDP-QLFBSQMISA-N 2 0 342.484 -0.227 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001104348841 821488688 /nfs/dbraw/zinc/48/86/88/821488688.db2.gz XNZCIBABMVKXDT-JHJVBQTASA-N 2 0 341.456 -0.404 20 0 EBADRP COC[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001104908266 821563983 /nfs/dbraw/zinc/56/39/83/821563983.db2.gz PIUPYUAKXYHZQM-BZUAXINKSA-N 2 0 345.484 -0.354 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001104913868 821564154 /nfs/dbraw/zinc/56/41/54/821564154.db2.gz IWUOTUBGFOFHAV-ZIAGYGMSSA-N 2 0 347.467 -0.120 20 0 EBADRP C[C@@H](CNC(=O)COCC[NH+](C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001298789447 821597899 /nfs/dbraw/zinc/59/78/99/821597899.db2.gz OOJVOHKEDNWTHE-BFHYXJOUSA-N 2 0 328.457 -0.474 20 0 EBADRP COCCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001105192830 821613052 /nfs/dbraw/zinc/61/30/52/821613052.db2.gz YCGXLNBOTRABDC-OAHLLOKOSA-N 2 0 336.440 -0.118 20 0 EBADRP COCCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372726 821726591 /nfs/dbraw/zinc/72/65/91/821726591.db2.gz UWQSPZAZEHGNCE-ZDUSSCGKSA-N 2 0 336.440 -0.261 20 0 EBADRP C[C@H]([NH2+]C1CCC2(CC1)CN(C(=O)CC[NH+](C)C)CCO2)C(N)=O ZINC001105481084 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CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]C[C@@H](O)COCCOC ZINC001128533925 828470981 /nfs/dbraw/zinc/47/09/81/828470981.db2.gz TVJFMHWJFWJIBQ-ZIAGYGMSSA-N 2 0 337.436 -0.604 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001128539602 828472344 /nfs/dbraw/zinc/47/23/44/828472344.db2.gz HZWORSXVLUKITI-ZIAGYGMSSA-N 2 0 346.447 -0.381 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001128545469 828473128 /nfs/dbraw/zinc/47/31/28/828473128.db2.gz YGJOLUCYTHTLQJ-KGLIPLIRSA-N 2 0 346.447 -0.475 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001128786121 828526478 /nfs/dbraw/zinc/52/64/78/828526478.db2.gz RSCWFCQFCPIRIU-GFCCVEGCSA-N 2 0 325.413 -0.882 20 0 EBADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001106984478 823712649 /nfs/dbraw/zinc/71/26/49/823712649.db2.gz PWBUUIBOIRXDLK-FRRDWIJNSA-N 2 0 339.440 -0.650 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCCOC)C[C@@H]1n1ccnn1 ZINC001129337830 828600771 /nfs/dbraw/zinc/60/07/71/828600771.db2.gz ZJXVBEYAANGQLB-CABCVRRESA-N 2 0 338.456 -0.002 20 0 EBADRP CN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1=O ZINC001129364121 828605638 /nfs/dbraw/zinc/60/56/38/828605638.db2.gz PJAIEMHDDBKSSN-LSDHHAIUSA-N 2 0 338.452 -0.434 20 0 EBADRP CN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1=O ZINC001129364118 828606209 /nfs/dbraw/zinc/60/62/09/828606209.db2.gz PJAIEMHDDBKSSN-GJZGRUSLSA-N 2 0 338.452 -0.434 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001129415753 828616139 /nfs/dbraw/zinc/61/61/39/828616139.db2.gz BUJRONYQAJRUAM-GFCCVEGCSA-N 2 0 327.429 -0.589 20 0 EBADRP O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430036 828617786 /nfs/dbraw/zinc/61/77/86/828617786.db2.gz NCRRMSORDRTNOI-UONOGXRCSA-N 2 0 336.436 -0.096 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CC(=O)NC1CCOCC1)C1CC1 ZINC001129435560 828618202 /nfs/dbraw/zinc/61/82/02/828618202.db2.gz HKNFCKABFMVXNK-OAHLLOKOSA-N 2 0 326.441 -0.672 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CC[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC001129437146 828620515 /nfs/dbraw/zinc/62/05/15/828620515.db2.gz VYTLTCMPVWUULP-GXTWGEPZSA-N 2 0 331.482 -0.143 20 0 EBADRP C[N@H+](CC(=O)NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1)C1CCC1 ZINC001129535578 828632284 /nfs/dbraw/zinc/63/22/84/828632284.db2.gz XHZIZMRMMIKFQV-HZPDHXFCSA-N 2 0 343.468 -0.267 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C[N@H+](C)C1CCC1)C(=O)Nc1ncccn1 ZINC001129531736 828631022 /nfs/dbraw/zinc/63/10/22/828631022.db2.gz IESDUAWMZBFZHG-LBPRGKRZSA-N 2 0 334.424 -0.006 20 0 EBADRP C[N@H+](CC(=O)NCC[NH2+]CCN1CCCS1(=O)=O)C1CCC1 ZINC001129532221 828631263 /nfs/dbraw/zinc/63/12/63/828631263.db2.gz VSBYDCXSZLKXCV-UHFFFAOYSA-N 2 0 332.470 -0.788 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CC3CC3)C2)C1 ZINC001108588071 824399871 /nfs/dbraw/zinc/39/98/71/824399871.db2.gz ZURULZSLARJQAF-CQSZACIVSA-N 2 0 338.452 -0.624 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCCC1)C2 ZINC001108821361 824442132 /nfs/dbraw/zinc/44/21/32/824442132.db2.gz IRMPRTPEYJEXGM-AVGNSLFASA-N 2 0 337.424 -0.754 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[NH+]1CCCC1)C2 ZINC001108821362 824442143 /nfs/dbraw/zinc/44/21/43/824442143.db2.gz IRMPRTPEYJEXGM-XQQFMLRXSA-N 2 0 337.424 -0.754 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C)n(C)n1 ZINC001129949392 828699561 /nfs/dbraw/zinc/69/95/61/828699561.db2.gz CCDBZUHKAQKMKY-HNNXBMFYSA-N 2 0 338.456 -0.041 20 0 EBADRP COCCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129982384 828706889 /nfs/dbraw/zinc/70/68/89/828706889.db2.gz FQIXJDNGQJMDPF-CABCVRRESA-N 2 0 338.456 -0.002 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001179585472 832990756 /nfs/dbraw/zinc/99/07/56/832990756.db2.gz IOQZIRQKNVRIBJ-QWHCGFSZSA-N 2 0 341.456 -0.355 20 0 EBADRP C[NH+](C)CCCCC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130095019 828731481 /nfs/dbraw/zinc/73/14/81/828731481.db2.gz XEGCWJHGCWNDMU-CABCVRRESA-N 2 0 338.456 -0.266 20 0 EBADRP O=C(NCC[NH2+]CCN1C(=O)CNC1=O)C12CCC[NH+](CCC1)C2 ZINC001130173695 828744480 /nfs/dbraw/zinc/74/44/80/828744480.db2.gz KVMKCTRPUCEPKC-UHFFFAOYSA-N 2 0 337.424 -0.880 20 0 EBADRP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123470 828736507 /nfs/dbraw/zinc/73/65/07/828736507.db2.gz SFBBHJPKXSVRHV-KFWWJZLASA-N 2 0 336.440 -0.392 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130186482 828750458 /nfs/dbraw/zinc/75/04/58/828750458.db2.gz HMKSCBYGKJMQSB-HUUCEWRRSA-N 2 0 340.468 -0.138 20 0 EBADRP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130231953 828761549 /nfs/dbraw/zinc/76/15/49/828761549.db2.gz KUTHFUKPNXWJOS-CQSZACIVSA-N 2 0 342.484 -0.035 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCOCCO)C2 ZINC001111937890 825349243 /nfs/dbraw/zinc/34/92/43/825349243.db2.gz AGFGNRZUVSGAGH-RDJZCZTQSA-N 2 0 343.468 -0.456 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001130298199 828776559 /nfs/dbraw/zinc/77/65/59/828776559.db2.gz YBWLMARMMKUEJX-LBPRGKRZSA-N 2 0 325.413 -0.835 20 0 EBADRP Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)[C@H]3CCCC[N@@H+]3C)C2=O)n1 ZINC001130304198 828777923 /nfs/dbraw/zinc/77/79/23/828777923.db2.gz XKWIVXHROZKDLU-UONOGXRCSA-N 2 0 348.451 -0.285 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130305732 828778485 /nfs/dbraw/zinc/77/84/85/828778485.db2.gz JSJIJBNMZGANOG-CYBMUJFWSA-N 2 0 341.456 -0.198 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130303859 828778499 /nfs/dbraw/zinc/77/84/99/828778499.db2.gz MLLCTYKTXLALKZ-ZDUSSCGKSA-N 2 0 334.486 -0.542 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001130303679 828778636 /nfs/dbraw/zinc/77/86/36/828778636.db2.gz GUYFXYPNYDBAQE-GDBMZVCRSA-N 2 0 343.468 -0.267 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001130421897 828827238 /nfs/dbraw/zinc/82/72/38/828827238.db2.gz NRRBKNFISQRNAC-HUUCEWRRSA-N 2 0 345.484 -0.021 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001130419270 828828230 /nfs/dbraw/zinc/82/82/30/828828230.db2.gz RYVAVXOYWUNDBH-UHFFFAOYSA-N 2 0 328.457 -0.282 20 0 EBADRP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001179798445 833011534 /nfs/dbraw/zinc/01/15/34/833011534.db2.gz DYACHRMDAVOCFK-LZWOXQAQSA-N 2 0 343.468 -0.317 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001179929094 833026853 /nfs/dbraw/zinc/02/68/53/833026853.db2.gz BLEBFMKAUARSLM-STQMWFEESA-N 2 0 344.481 -0.790 20 0 EBADRP C[C@H]1[C@@H]([NH2+][C@H]2CCCNC2=O)CCN1C(=O)COCC[NH+](C)C ZINC001179934132 833027488 /nfs/dbraw/zinc/02/74/88/833027488.db2.gz SLPLLOVUHYPIES-IHRRRGAJSA-N 2 0 326.441 -0.578 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)NCC2CC2)CCN1C(=O)COCC[NH+](C)C ZINC001179929827 833027883 /nfs/dbraw/zinc/02/78/83/833027883.db2.gz WVVOCPPXSJWOOZ-ZFWWWQNUSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@H]1[C@@H]([NH2+]C[C@H](O)Cn2cccn2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001179934170 833028339 /nfs/dbraw/zinc/02/83/39/833028339.db2.gz UVBMIMQUVSNKCW-JYJNAYRXSA-N 2 0 347.463 -0.081 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001115081516 826415297 /nfs/dbraw/zinc/41/52/97/826415297.db2.gz SKFDGXOCMNLCKS-LAQFHYBYSA-N 2 0 336.436 -0.476 20 0 EBADRP CN(CC1CC1)C(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cncn1C ZINC001115118228 826426014 /nfs/dbraw/zinc/42/60/14/826426014.db2.gz AXEMEINCGJJBQS-HWWDLCQESA-N 2 0 345.447 -0.123 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001115244748 826470061 /nfs/dbraw/zinc/47/00/61/826470061.db2.gz DQXRGXGZPFHCDP-WCVJEAGWSA-N 2 0 348.451 -0.707 20 0 EBADRP COCCOC[C@H](O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001180226631 833059689 /nfs/dbraw/zinc/05/96/89/833059689.db2.gz DKKHIIPVADDCAM-XHSDSOJGSA-N 2 0 345.484 -0.071 20 0 EBADRP COCC[N@H+](C)C[C@@H](O)CN1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC001118367982 826919337 /nfs/dbraw/zinc/91/93/37/826919337.db2.gz FRHXYNULAIRTTR-DLBZAZTESA-N 2 0 328.501 -0.363 20 0 EBADRP CC1(C)CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[NH2+]1 ZINC001118490866 826940822 /nfs/dbraw/zinc/94/08/22/826940822.db2.gz PKDDTCZMZKUJPW-CQSZACIVSA-N 2 0 338.452 -0.434 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC001119296924 827098511 /nfs/dbraw/zinc/09/85/11/827098511.db2.gz BQFXZUXEDBRRQT-QGZVFWFLSA-N 2 0 340.468 -0.151 20 0 EBADRP C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC001119402578 827105554 /nfs/dbraw/zinc/10/55/54/827105554.db2.gz QVMYXDSDCYLJPX-GXSJLCMTSA-N 2 0 336.358 -0.208 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC001181652196 833170708 /nfs/dbraw/zinc/17/07/08/833170708.db2.gz KGHDGQDEBXHNLK-GHMZBOCLSA-N 2 0 336.358 -0.050 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CC3(CC(NC(=O)CC[NH+](C)C)C3)C2)nc1=O ZINC001121702435 827428556 /nfs/dbraw/zinc/42/85/56/827428556.db2.gz DHDNLMUSMULXOK-UHFFFAOYSA-N 2 0 336.440 -0.423 20 0 EBADRP C[NH+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CCS(C)(=O)=O)C2 ZINC001121703591 827428590 /nfs/dbraw/zinc/42/85/90/827428590.db2.gz ZBTKNKPTLVHKNV-UHFFFAOYSA-N 2 0 331.482 0.000 20 0 EBADRP CC[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CC(=O)NC(N)=O)C2)[NH+](C)C ZINC001121798405 827451289 /nfs/dbraw/zinc/45/12/89/827451289.db2.gz MSGLEHVPLXXVMI-VDOARHDCSA-N 2 0 339.440 -0.462 20 0 EBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001122005619 827501865 /nfs/dbraw/zinc/50/18/65/827501865.db2.gz PTPMBQROZCPUPF-KGLIPLIRSA-N 2 0 328.457 -0.343 20 0 EBADRP COC(=O)C1CC[NH+](CCCNC(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001122033649 827507419 /nfs/dbraw/zinc/50/74/19/827507419.db2.gz ZQADTDQOKQMNGG-KRWDZBQOSA-N 2 0 341.452 -0.118 20 0 EBADRP CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)COCC[NH+](C)C)C2)C1 ZINC001122064013 827513688 /nfs/dbraw/zinc/51/36/88/827513688.db2.gz UDVJKTVDQSHYOE-UHFFFAOYSA-N 2 0 340.468 -0.282 20 0 EBADRP [NH3+]CCCSCCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001122115617 827523432 /nfs/dbraw/zinc/52/34/32/827523432.db2.gz YPRUCNIALHKQJM-UPJWGTAASA-N 2 0 342.465 -0.148 20 0 EBADRP CN1CC(=O)N(CCCC(=O)NCCN2CCC([NH3+])CC2)C1=O ZINC001122157076 827530204 /nfs/dbraw/zinc/53/02/04/827530204.db2.gz HFAQQQZLQHWRON-UHFFFAOYSA-N 2 0 325.413 -0.800 20 0 EBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@]1(C)C[NH2+]CC(=O)NC(N)=O ZINC001182411164 833229682 /nfs/dbraw/zinc/22/96/82/833229682.db2.gz XEYZZCXVIWHPEX-MLGOLLRUSA-N 2 0 341.456 -0.403 20 0 EBADRP CS(=O)(=O)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001182623847 833249283 /nfs/dbraw/zinc/24/92/83/833249283.db2.gz SOUKUIJSPTVONG-ZIAGYGMSSA-N 2 0 329.466 -0.437 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCC[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001211089892 837385837 /nfs/dbraw/zinc/38/58/37/837385837.db2.gz BTAAOVKAXNKJOO-JKSUJKDBSA-N 2 0 335.452 -0.080 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124866926 827969605 /nfs/dbraw/zinc/96/96/05/827969605.db2.gz NXBIYPLRJRPCDL-VXGBXAGGSA-N 2 0 327.429 -0.591 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183437222 833290447 /nfs/dbraw/zinc/29/04/47/833290447.db2.gz VBNILTYLRZKHNE-CVEARBPZSA-N 2 0 342.484 -0.084 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183450742 833291104 /nfs/dbraw/zinc/29/11/04/833291104.db2.gz YFUKDPNOJOZAAK-UPJWGTAASA-N 2 0 341.456 -0.393 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127060787 828247253 /nfs/dbraw/zinc/24/72/53/828247253.db2.gz HKAWVNVFHFVSKQ-OLZOCXBDSA-N 2 0 341.456 -0.201 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127257196 828269235 /nfs/dbraw/zinc/26/92/35/828269235.db2.gz WGYPUHXWGNZQTM-OLZOCXBDSA-N 2 0 339.440 -0.588 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1)Nc1cnccn1 ZINC001127256806 828269725 /nfs/dbraw/zinc/26/97/25/828269725.db2.gz RXOLGEARPOFLPY-UONOGXRCSA-N 2 0 346.435 -0.005 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC(F)(F)F ZINC001127474031 828296967 /nfs/dbraw/zinc/29/69/67/828296967.db2.gz GIEJHBXHJCRPNV-NSHDSACASA-N 2 0 336.358 -0.288 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475292 828297142 /nfs/dbraw/zinc/29/71/42/828297142.db2.gz SQBYWUMTNMZHHQ-AAEUAGOBSA-N 2 0 339.440 -0.732 20 0 EBADRP CC(C)NC(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127480047 828297970 /nfs/dbraw/zinc/29/79/70/828297970.db2.gz HNILZYIRVFKFTF-CQSZACIVSA-N 2 0 325.457 -0.258 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC2CCS(=O)(=O)CC2)CC[N@@H+]1C ZINC001127639041 828310037 /nfs/dbraw/zinc/31/00/37/828310037.db2.gz SCCVIDDMYUCAGI-TZMCWYRMSA-N 2 0 331.482 -0.143 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127659539 828313764 /nfs/dbraw/zinc/31/37/64/828313764.db2.gz FDOOFVVTVCQVEG-YNEHKIRRSA-N 2 0 341.456 -0.345 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)CC[N@@H+]1C ZINC001127695248 828314380 /nfs/dbraw/zinc/31/43/80/828314380.db2.gz GQAKTLKCIFXHCU-QWHCGFSZSA-N 2 0 339.440 -0.589 20 0 EBADRP CCC(CC)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127760972 828321988 /nfs/dbraw/zinc/32/19/88/828321988.db2.gz WTOFGYIARNDCJY-CABCVRRESA-N 2 0 340.468 -0.140 20 0 EBADRP CC(C)(C)CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127784980 828329232 /nfs/dbraw/zinc/32/92/32/828329232.db2.gz CUGRVABMXPLJKC-KBPBESRZSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)CCOCC(=O)NCc1c[nH]nc1[C@H]1CC[N@H+](CCO)C1 ZINC001130442529 828840968 /nfs/dbraw/zinc/84/09/68/828840968.db2.gz LVOOZKHAOSKMSL-ZDUSSCGKSA-N 2 0 339.440 -0.614 20 0 EBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001184433503 833329895 /nfs/dbraw/zinc/32/98/95/833329895.db2.gz JZSODKUGOYGHJM-YXXKGXSTSA-N 2 0 336.436 -0.824 20 0 EBADRP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001184432987 833330030 /nfs/dbraw/zinc/33/00/30/833330030.db2.gz CMCINZLWZBSFSW-YXXKGXSTSA-N 2 0 336.436 -0.872 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001130656507 828908447 /nfs/dbraw/zinc/90/84/47/828908447.db2.gz SXYVVXLEENZMQP-UHFFFAOYSA-N 2 0 346.391 -0.192 20 0 EBADRP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130726109 828922595 /nfs/dbraw/zinc/92/25/95/828922595.db2.gz LMXBXMZIOWVZLT-IJEWVQPXSA-N 2 0 335.452 -0.098 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]CCCO)c1 ZINC001130725701 828922697 /nfs/dbraw/zinc/92/26/97/828922697.db2.gz ACEXCDUEUIQFQK-IJEWVQPXSA-N 2 0 335.452 -0.362 20 0 EBADRP O=C(C[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1)N1CCOCC1 ZINC001130867427 828982933 /nfs/dbraw/zinc/98/29/33/828982933.db2.gz DHTDQEQZALEFAA-UHFFFAOYSA-N 2 0 331.376 -0.488 20 0 EBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185028809 833345371 /nfs/dbraw/zinc/34/53/71/833345371.db2.gz FKYMCOABHWBGTR-OLZOCXBDSA-N 2 0 341.456 -0.403 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001185072200 833346240 /nfs/dbraw/zinc/34/62/40/833346240.db2.gz FFMIKBQHEBPBOR-CHWSQXEVSA-N 2 0 338.456 -0.366 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001185089767 833346633 /nfs/dbraw/zinc/34/66/33/833346633.db2.gz CUHCORFHKWZWAX-CHWSQXEVSA-N 2 0 339.440 -0.506 20 0 EBADRP Cn1cncc1[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CCO ZINC001131055808 829034228 /nfs/dbraw/zinc/03/42/28/829034228.db2.gz NFBPTERZLWJMKX-ZIAGYGMSSA-N 2 0 335.452 -0.362 20 0 EBADRP CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001185454991 833358783 /nfs/dbraw/zinc/35/87/83/833358783.db2.gz HDIZTNKMFYSAHB-CHWSQXEVSA-N 2 0 334.486 -0.688 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001185669826 833366581 /nfs/dbraw/zinc/36/65/81/833366581.db2.gz YLCVAOYCZKPYFG-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1)C(=O)NC(N)=O ZINC001185705387 833367479 /nfs/dbraw/zinc/36/74/79/833367479.db2.gz AGVNQQRMBZWCAM-VXGBXAGGSA-N 2 0 341.456 -0.262 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCNS(=O)(=O)CC)C1)[NH+](C)C ZINC001185715411 833367980 /nfs/dbraw/zinc/36/79/80/833367980.db2.gz FTQVMFSERUSZCK-KGLIPLIRSA-N 2 0 348.513 -0.154 20 0 EBADRP CCn1nncc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520375 829152118 /nfs/dbraw/zinc/15/21/18/829152118.db2.gz XIZFJUMLYGLIOG-UGWHAMFMSA-N 2 0 334.424 -0.633 20 0 EBADRP CCn1nnc(C)c1C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519747 829152605 /nfs/dbraw/zinc/15/26/05/829152605.db2.gz JYZPMWGDSIDVTI-GNHJJJEISA-N 2 0 348.451 -0.325 20 0 EBADRP O=C(NCC[NH2+]CCO[C@H]1CC1(F)F)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131522274 829154188 /nfs/dbraw/zinc/15/41/88/829154188.db2.gz ZTKZEWAZRWZZEK-FMPXUHTOSA-N 2 0 345.390 -0.020 20 0 EBADRP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131525645 829154263 /nfs/dbraw/zinc/15/42/63/829154263.db2.gz DGLCQHIWKHAUDJ-PEUXKQIOSA-N 2 0 338.452 -0.530 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@]2(CC[N@H+](CCCO)C2)O1 ZINC001131692523 829187733 /nfs/dbraw/zinc/18/77/33/829187733.db2.gz IDAGCXAWGOAXQW-WBVHZDCISA-N 2 0 343.468 -0.361 20 0 EBADRP CCOC(=O)N[C@@H](CC(N)=O)C(=O)N(CC[NH+](CC)CC)C(N)=[NH2+] ZINC001185880281 833374169 /nfs/dbraw/zinc/37/41/69/833374169.db2.gz PZSZFBVQCPXQCC-JTQLQIEISA-N 2 0 344.416 -0.960 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790627 829217640 /nfs/dbraw/zinc/21/76/40/829217640.db2.gz REYRDXVQDVLIRE-CVEARBPZSA-N 2 0 343.468 -0.410 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH2+]CC(N)=O)CC1 ZINC001186147917 833390570 /nfs/dbraw/zinc/39/05/70/833390570.db2.gz VRTKMUXARCWGRJ-WMLDXEAASA-N 2 0 340.468 -0.201 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186310327 833396151 /nfs/dbraw/zinc/39/61/51/833396151.db2.gz LYKWZGKLUVTFEZ-CABCVRRESA-N 2 0 325.453 -0.082 20 0 EBADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)C(C)C ZINC001186428578 833401417 /nfs/dbraw/zinc/40/14/17/833401417.db2.gz RNULYXCCTFMLOA-OCCSQVGLSA-N 2 0 341.456 -0.262 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCCCOC)C1 ZINC001186457797 833402156 /nfs/dbraw/zinc/40/21/56/833402156.db2.gz BELUBZVJWITUEX-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CCN1C(=O)CNC1=O ZINC001132279594 829405606 /nfs/dbraw/zinc/40/56/06/829405606.db2.gz ZQJGYUQAGIYYKE-STQMWFEESA-N 2 0 339.440 -0.541 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132286956 829407148 /nfs/dbraw/zinc/40/71/48/829407148.db2.gz OWFMEYZNVPJHRT-UHFFFAOYSA-N 2 0 334.486 -0.494 20 0 EBADRP NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC12CCOCC2 ZINC001186552279 833405590 /nfs/dbraw/zinc/40/55/90/833405590.db2.gz FJSDZXBRHZNYCP-CQSZACIVSA-N 2 0 338.452 -0.588 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186552977 833405604 /nfs/dbraw/zinc/40/56/04/833405604.db2.gz MSEGMTVZNBHNJA-CQSZACIVSA-N 2 0 340.468 -0.342 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1)C(=O)NC(N)=O ZINC001186568877 833406471 /nfs/dbraw/zinc/40/64/71/833406471.db2.gz MGWMMWWBSCAEGF-CHWSQXEVSA-N 2 0 339.440 -0.508 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)COCC[NH+](C)C)C[N@@H+]1CCOCCO ZINC001132425504 829454079 /nfs/dbraw/zinc/45/40/79/829454079.db2.gz ILPRODFLFFQAMU-CABCVRRESA-N 2 0 331.457 -0.457 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001132738435 829511735 /nfs/dbraw/zinc/51/17/35/829511735.db2.gz CTKOHEOQZPGZQJ-OLZOCXBDSA-N 2 0 341.456 -0.342 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+]CC(=O)NCCOCC)C1 ZINC001132737904 829511858 /nfs/dbraw/zinc/51/18/58/829511858.db2.gz SGDKVCPIPGNRCF-HNNXBMFYSA-N 2 0 342.484 -0.033 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001132738437 829511893 /nfs/dbraw/zinc/51/18/93/829511893.db2.gz CTKOHEOQZPGZQJ-STQMWFEESA-N 2 0 341.456 -0.342 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+]CC(=O)NCCCOC)C1 ZINC001132737669 829512051 /nfs/dbraw/zinc/51/20/51/829512051.db2.gz OPLTXUWQUXKCKN-HNNXBMFYSA-N 2 0 342.484 -0.033 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001132848217 829532799 /nfs/dbraw/zinc/53/27/99/829532799.db2.gz BGNXKUIHRQHSMU-LSDHHAIUSA-N 2 0 340.468 -0.282 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001132848344 829535507 /nfs/dbraw/zinc/53/55/07/829535507.db2.gz FZQLTHXUNYVBPH-KGLIPLIRSA-N 2 0 326.441 -0.578 20 0 EBADRP CC(C)COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132853328 829537348 /nfs/dbraw/zinc/53/73/48/829537348.db2.gz ZLRJNGVRTBZPSH-CVEARBPZSA-N 2 0 345.484 -0.165 20 0 EBADRP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132853267 829537547 /nfs/dbraw/zinc/53/75/47/829537547.db2.gz YXLNLEHEPNVRGJ-KGLIPLIRSA-N 2 0 328.457 -0.284 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001132858770 829538998 /nfs/dbraw/zinc/53/89/98/829538998.db2.gz ITRUVUQPIUOELQ-CYBMUJFWSA-N 2 0 328.457 -0.284 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886883 829544798 /nfs/dbraw/zinc/54/47/98/829544798.db2.gz VOKHKUSUTBDOGE-RYUDHWBXSA-N 2 0 327.429 -0.732 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)CC[N@@H+]1C ZINC001132893623 829545854 /nfs/dbraw/zinc/54/58/54/829545854.db2.gz WEFXJPBKERZWKV-ZNMIVQPWSA-N 2 0 340.468 -0.425 20 0 EBADRP C[NH+](C)Cc1ccoc1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001132985565 829567461 /nfs/dbraw/zinc/56/74/61/829567461.db2.gz IWJMQIJJNXRYTR-UHFFFAOYSA-N 2 0 337.380 -0.788 20 0 EBADRP COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132994744 829568515 /nfs/dbraw/zinc/56/85/15/829568515.db2.gz ALWVJCGUPKEYIL-KBPBESRZSA-N 2 0 331.457 -0.554 20 0 EBADRP COCCS(=O)(=O)CCC[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132994831 829568628 /nfs/dbraw/zinc/56/86/28/829568628.db2.gz DBDUREUYRLWPOQ-UHFFFAOYSA-N 2 0 349.497 -0.515 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CC2(CS(C)(=O)=O)CC2)CC1 ZINC001132993472 829568957 /nfs/dbraw/zinc/56/89/57/829568957.db2.gz VULCOMPJFRPQAC-UHFFFAOYSA-N 2 0 331.482 -0.141 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001133178252 829598414 /nfs/dbraw/zinc/59/84/14/829598414.db2.gz NLJHVHXGWUNVEL-QWHCGFSZSA-N 2 0 341.456 -0.403 20 0 EBADRP C[NH+]1CCC(C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)CC1 ZINC001133287321 829615793 /nfs/dbraw/zinc/61/57/93/829615793.db2.gz HJBZYGYWACQGKQ-AWEZNQCLSA-N 2 0 326.441 -0.983 20 0 EBADRP Cc1cc(N2CC[C@H]([NH2+]CCNC(=O)CC[NH+](C)C)C2=O)n(C)n1 ZINC001133290995 829616051 /nfs/dbraw/zinc/61/60/51/829616051.db2.gz HAVZZNPFGOJUMB-ZDUSSCGKSA-N 2 0 336.440 -0.509 20 0 EBADRP Cn1ccc(N2CCC[C@@H]([NH2+]CCNC(=O)CC[NH+](C)C)C2=O)n1 ZINC001133291472 829616924 /nfs/dbraw/zinc/61/69/24/829616924.db2.gz QWTMUDKLRCQEAN-CYBMUJFWSA-N 2 0 336.440 -0.427 20 0 EBADRP Cn1ccc(N2CCC[C@H]([NH2+]CCNC(=O)CC[NH+](C)C)C2=O)n1 ZINC001133291473 829616998 /nfs/dbraw/zinc/61/69/98/829616998.db2.gz QWTMUDKLRCQEAN-ZDUSSCGKSA-N 2 0 336.440 -0.427 20 0 EBADRP CC(C)[C@H](C(=O)NCC[NH2+]CC(=O)NCc1cccnc1)[NH+](C)C ZINC001133415844 829629860 /nfs/dbraw/zinc/62/98/60/829629860.db2.gz QTNZDUOHTCLTDH-MRXNPFEDSA-N 2 0 335.452 -0.010 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCOCC1)[NH+](CC)CC ZINC001133684804 829661235 /nfs/dbraw/zinc/66/12/35/829661235.db2.gz MUYYHMBTWQPSGK-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+]CCOCCNC(C)=O)[NH+](CC)CC ZINC001133690191 829662274 /nfs/dbraw/zinc/66/22/74/829662274.db2.gz JCQXIQMPRPMDLO-HNNXBMFYSA-N 2 0 330.473 -0.035 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133823857 829679479 /nfs/dbraw/zinc/67/94/79/829679479.db2.gz QZSMKNQCMSYEGR-ZDUSSCGKSA-N 2 0 341.456 -0.342 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133831512 829680945 /nfs/dbraw/zinc/68/09/45/829680945.db2.gz PHZITWCCHPKKJB-RYUDHWBXSA-N 2 0 327.429 -0.589 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133834257 829680958 /nfs/dbraw/zinc/68/09/58/829680958.db2.gz SHWBMVZHFAKMKB-CHWSQXEVSA-N 2 0 341.456 -0.201 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133834245 829681028 /nfs/dbraw/zinc/68/10/28/829681028.db2.gz RZBXFXBGUHUPJA-UONOGXRCSA-N 2 0 328.457 -0.282 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133834246 829681059 /nfs/dbraw/zinc/68/10/59/829681059.db2.gz RZBXFXBGUHUPJA-ZIAGYGMSSA-N 2 0 328.457 -0.282 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133849816 829686474 /nfs/dbraw/zinc/68/64/74/829686474.db2.gz DXJVHEUBQBNSPH-STQMWFEESA-N 2 0 341.456 -0.343 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133850897 829687131 /nfs/dbraw/zinc/68/71/31/829687131.db2.gz QPWHWLRKOJBKIP-CYBMUJFWSA-N 2 0 341.456 -0.340 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC001133849924 829687237 /nfs/dbraw/zinc/68/72/37/829687237.db2.gz HIXPRDFTOXLQEV-ZFWWWQNUSA-N 2 0 348.451 -0.427 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133864230 829690193 /nfs/dbraw/zinc/69/01/93/829690193.db2.gz XJPXZFPNHNVWEU-CHWSQXEVSA-N 2 0 341.456 -0.628 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1nncs1 ZINC001133870724 829690360 /nfs/dbraw/zinc/69/03/60/829690360.db2.gz VQMCFWLXBXATRM-UWVGGRQHSA-N 2 0 326.426 -0.620 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001133896876 829694902 /nfs/dbraw/zinc/69/49/02/829694902.db2.gz SSKVWWSAFLNLJF-UHFFFAOYSA-N 2 0 339.440 -0.634 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001133896459 829695485 /nfs/dbraw/zinc/69/54/85/829695485.db2.gz JVEMWJPLMMWPSE-AWEZNQCLSA-N 2 0 340.468 -0.593 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CCCC1)[NH+](C)C ZINC001133962063 829706782 /nfs/dbraw/zinc/70/67/82/829706782.db2.gz BECVXPSWASVYKH-ZDUSSCGKSA-N 2 0 341.456 -0.199 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)Nc1nnc(C)s1)[NH+](C)C ZINC001133963187 829707080 /nfs/dbraw/zinc/70/70/80/829707080.db2.gz RBUSPMHTRNNBDD-JTQLQIEISA-N 2 0 328.442 -0.169 20 0 EBADRP C[C@@H](COCC(=O)NCC[NH2+][C@@H]1CCN(C)C1=O)[NH+]1CCCC1 ZINC001134020835 829713440 /nfs/dbraw/zinc/71/34/40/829713440.db2.gz IGRZGNMWXMQKIH-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001134058271 829719941 /nfs/dbraw/zinc/71/99/41/829719941.db2.gz HIFULYQZDAKRNJ-CQSZACIVSA-N 2 0 328.457 -0.282 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001134736370 829836385 /nfs/dbraw/zinc/83/63/85/829836385.db2.gz DATGBLJTCHKPDP-STQMWFEESA-N 2 0 328.457 -0.297 20 0 EBADRP O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135102270 829897998 /nfs/dbraw/zinc/89/79/98/829897998.db2.gz BMYYUKPXMJQOFT-CHWSQXEVSA-N 2 0 337.424 -0.739 20 0 EBADRP CN(CC[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)S(C)(=O)=O ZINC001135095942 829898458 /nfs/dbraw/zinc/89/84/58/829898458.db2.gz XEWNWJLZRORAIX-ZIAGYGMSSA-N 2 0 346.497 -0.400 20 0 EBADRP O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135102271 829898477 /nfs/dbraw/zinc/89/84/77/829898477.db2.gz BMYYUKPXMJQOFT-OLZOCXBDSA-N 2 0 337.424 -0.739 20 0 EBADRP CCCC[C@@H]([NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1)C(N)=O ZINC001135118783 829900470 /nfs/dbraw/zinc/90/04/70/829900470.db2.gz SJGMXHXFEVUDSM-CQSZACIVSA-N 2 0 338.456 -0.192 20 0 EBADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)C(C)C ZINC001135474317 829973399 /nfs/dbraw/zinc/97/33/99/829973399.db2.gz NEJVBFAVPOKVHJ-AWEZNQCLSA-N 2 0 341.456 -0.390 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001135861380 830036041 /nfs/dbraw/zinc/03/60/41/830036041.db2.gz PYJFBVWLPNRMRI-QWHCGFSZSA-N 2 0 336.502 -0.250 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001135858115 830036166 /nfs/dbraw/zinc/03/61/66/830036166.db2.gz SWDPILZBHGUOAR-NEPJUHHUSA-N 2 0 326.445 -0.177 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CC(=O)NC1CC1)NC(=O)COCC[NH+](C)C ZINC001135922932 830046484 /nfs/dbraw/zinc/04/64/84/830046484.db2.gz DIEWLIDTJSQZBG-STQMWFEESA-N 2 0 328.457 -0.284 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C12CC[NH+](CC1)C2 ZINC001135937979 830049248 /nfs/dbraw/zinc/04/92/48/830049248.db2.gz CHEIPVSBCIJVSU-NWDGAFQWSA-N 2 0 336.440 -0.423 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]CC(=O)NCC2CCC2)CC1 ZINC001135958998 830051996 /nfs/dbraw/zinc/05/19/96/830051996.db2.gz ILVSFXLHBABNAO-UHFFFAOYSA-N 2 0 340.468 -0.281 20 0 EBADRP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135963383 830052881 /nfs/dbraw/zinc/05/28/81/830052881.db2.gz INKBIKQKXIXCJL-CYBMUJFWSA-N 2 0 328.457 -0.282 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]CCCO[C@@H]2CCOC2)CC1 ZINC001135963355 830053478 /nfs/dbraw/zinc/05/34/78/830053478.db2.gz HPFPNFDRMVRDDZ-MRXNPFEDSA-N 2 0 343.468 -0.001 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)CCCC[NH+](C)C)[NH2+]CC(=O)NC(N)=O ZINC001135967516 830053783 /nfs/dbraw/zinc/05/37/83/830053783.db2.gz VNLBWHKSOQKALG-NEPJUHHUSA-N 2 0 329.445 -0.214 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CC(=O)N1CCOCC1)NC(=O)C[NH+]1CCCC1 ZINC001146340464 830193424 /nfs/dbraw/zinc/19/34/24/830193424.db2.gz QDZPBYYQAWDABL-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146385081 830195593 /nfs/dbraw/zinc/19/55/93/830195593.db2.gz ZBWTZKQFMSZVQR-UHFFFAOYSA-N 2 0 342.484 -0.035 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CCN1CCNC1=O)NC(=O)C[NH+]1CCCC1 ZINC001146396941 830195743 /nfs/dbraw/zinc/19/57/43/830195743.db2.gz CBXYMZHVDKJNBJ-UONOGXRCSA-N 2 0 325.457 -0.020 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001146594222 830211559 /nfs/dbraw/zinc/21/15/59/830211559.db2.gz SAVBNQVKWUDLDW-VXGBXAGGSA-N 2 0 326.445 -0.179 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)Nc1ccccc1C(N)=O ZINC001146718676 830223322 /nfs/dbraw/zinc/22/33/22/830223322.db2.gz FOBWSRFLAYGRMA-UHFFFAOYSA-N 2 0 349.435 -0.228 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001147333676 830323085 /nfs/dbraw/zinc/32/30/85/830323085.db2.gz UMWSPZNGRQFOEX-UHFFFAOYSA-N 2 0 325.413 -0.991 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001147573255 830365644 /nfs/dbraw/zinc/36/56/44/830365644.db2.gz ZCMYZBCKPWBPHH-HZPDHXFCSA-N 2 0 337.464 -0.130 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCOCCO)C2)C1CC1 ZINC001147724198 830401360 /nfs/dbraw/zinc/40/13/60/830401360.db2.gz HFZLPDPWBNMWBQ-OAHLLOKOSA-N 2 0 325.453 -0.130 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147725096 830403107 /nfs/dbraw/zinc/40/31/07/830403107.db2.gz SEZOVFBJCHHYEZ-LSDHHAIUSA-N 2 0 325.453 -0.132 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147876994 830424352 /nfs/dbraw/zinc/42/43/52/830424352.db2.gz BLDXZNYWTDHCTJ-LBPRGKRZSA-N 2 0 327.429 -0.730 20 0 EBADRP CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147893804 830427211 /nfs/dbraw/zinc/42/72/11/830427211.db2.gz UDHDEXUJXZHMHR-CQSZACIVSA-N 2 0 346.472 -0.798 20 0 EBADRP COCCS(=O)(=O)CCC[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147893713 830427229 /nfs/dbraw/zinc/42/72/29/830427229.db2.gz RVFUZSPAPFQHIV-AWEZNQCLSA-N 2 0 349.497 -0.515 20 0 EBADRP Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)C[C@@H]3CC[N@H+](C)C3)C2=O)n1 ZINC001147892580 830427362 /nfs/dbraw/zinc/42/73/62/830427362.db2.gz KFPGHFWPNMEYBT-UONOGXRCSA-N 2 0 348.451 -0.427 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C(=O)N1CCC(C)CC1 ZINC001147891530 830427387 /nfs/dbraw/zinc/42/73/87/830427387.db2.gz BNGXODUQKPXMDA-HNNXBMFYSA-N 2 0 342.484 -0.083 20 0 EBADRP Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)C[C@H]3CC[N@H+](C)C3)C2=O)cn1 ZINC001147892572 830427485 /nfs/dbraw/zinc/42/74/85/830427485.db2.gz KEIFJLOYBCNJBZ-HIFRSBDPSA-N 2 0 348.451 -0.427 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900454 830427955 /nfs/dbraw/zinc/42/79/55/830427955.db2.gz NFWWACVXNHESCF-UONOGXRCSA-N 2 0 328.457 -0.425 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001147899881 830427990 /nfs/dbraw/zinc/42/79/90/830427990.db2.gz BIBXRFXAMYVPIN-GFCCVEGCSA-N 2 0 339.440 -0.636 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900880 830428369 /nfs/dbraw/zinc/42/83/69/830428369.db2.gz XSWVXBNQKIKFPE-STQMWFEESA-N 2 0 341.456 -0.343 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C12CC[NH+](CC1)C2)C(=O)NC[C@@H]1CCCO1 ZINC001148000019 830436555 /nfs/dbraw/zinc/43/65/55/830436555.db2.gz IHDJNEOBZHAWNU-KGLIPLIRSA-N 2 0 338.452 -0.528 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C12CC[NH+](CC1)C2)C(=O)NC[C@@H]1CCCO1 ZINC001148000018 830436995 /nfs/dbraw/zinc/43/69/95/830436995.db2.gz IHDJNEOBZHAWNU-KBPBESRZSA-N 2 0 338.452 -0.528 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148051536 830443782 /nfs/dbraw/zinc/44/37/82/830443782.db2.gz NLMWYOCEFBFIGN-CYBMUJFWSA-N 2 0 340.424 -0.509 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC2(C1)CC[N@H+](CCN1CCNC1=O)C2 ZINC001148174161 830451040 /nfs/dbraw/zinc/45/10/40/830451040.db2.gz AWXNPTIGVXGFAQ-UHFFFAOYSA-N 2 0 337.468 -0.112 20 0 EBADRP COCCOC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148217263 830458775 /nfs/dbraw/zinc/45/87/75/830458775.db2.gz WKIDTYXQCUKSLG-HNNXBMFYSA-N 2 0 343.468 -0.504 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C2 ZINC001148458989 830490619 /nfs/dbraw/zinc/49/06/19/830490619.db2.gz ZZKODERAMUSQAZ-LBPRGKRZSA-N 2 0 339.440 -0.554 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001148577917 830511248 /nfs/dbraw/zinc/51/12/48/830511248.db2.gz JQYPAEIDXHQQGW-HNNXBMFYSA-N 2 0 345.484 -0.019 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O ZINC001148643391 830523650 /nfs/dbraw/zinc/52/36/50/830523650.db2.gz YCRYVZBWVXGTHV-CYBMUJFWSA-N 2 0 336.440 -0.427 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150193085 830834310 /nfs/dbraw/zinc/83/43/10/830834310.db2.gz LIVIPFRKVWDSSV-LSDHHAIUSA-N 2 0 331.457 -0.457 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@H]1C[N@H+](CCOCCO)CCCO1 ZINC001150470781 830910229 /nfs/dbraw/zinc/91/02/29/830910229.db2.gz UUCOCRFCCKWWBQ-HNNXBMFYSA-N 2 0 331.457 -0.456 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](C[C@H](O)COC)CCCO1 ZINC001150478828 830912266 /nfs/dbraw/zinc/91/22/66/830912266.db2.gz AFSNSXBLINOANS-LSDHHAIUSA-N 2 0 331.457 -0.457 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[NH+](CCOCCO)CCCO2)C1 ZINC001150586825 830938358 /nfs/dbraw/zinc/93/83/58/830938358.db2.gz AYFZFOHRMDMZRI-CVEARBPZSA-N 2 0 343.468 -0.456 20 0 EBADRP CCOCC[N@@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150586958 830939106 /nfs/dbraw/zinc/93/91/06/830939106.db2.gz CYXKGPGJKKRVMB-OAHLLOKOSA-N 2 0 331.457 -0.192 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001150589888 830939860 /nfs/dbraw/zinc/93/98/60/830939860.db2.gz XEEPYFFVCRFAHM-GJZGRUSLSA-N 2 0 341.452 -0.703 20 0 EBADRP CO[C@H](C)C[N@@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150590074 830940366 /nfs/dbraw/zinc/94/03/66/830940366.db2.gz YDJGIHOCUIELAJ-HUUCEWRRSA-N 2 0 331.457 -0.193 20 0 EBADRP CO[C@@H](C)C[N@@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150590075 830940427 /nfs/dbraw/zinc/94/04/27/830940427.db2.gz YDJGIHOCUIELAJ-LSDHHAIUSA-N 2 0 331.457 -0.193 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606022 830943224 /nfs/dbraw/zinc/94/32/24/830943224.db2.gz ASCGWDROUPUUFQ-HOTGVXAUSA-N 2 0 345.484 -0.067 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CCOCCO)CCCO1 ZINC001150620819 830947132 /nfs/dbraw/zinc/94/71/32/830947132.db2.gz XOSAULJGTQBOFR-OAHLLOKOSA-N 2 0 331.457 -0.456 20 0 EBADRP CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151066655 831020635 /nfs/dbraw/zinc/02/06/35/831020635.db2.gz WTPPKBLKWCOAMC-AWEZNQCLSA-N 2 0 336.440 -0.964 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151073467 831022016 /nfs/dbraw/zinc/02/20/16/831022016.db2.gz LWJRKHICVWVBBB-NEPJUHHUSA-N 2 0 327.429 -0.733 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C[NH+]1CCCC1)C(=O)NC(=O)NC1CC1 ZINC001151106934 831026510 /nfs/dbraw/zinc/02/65/10/831026510.db2.gz KTJBZLSFQXLQHB-NSHDSACASA-N 2 0 325.413 -0.835 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)N(C)CC1CC1 ZINC001151152488 831032012 /nfs/dbraw/zinc/03/20/12/831032012.db2.gz UXIXYJINHYCJQS-AWEZNQCLSA-N 2 0 340.468 -0.471 20 0 EBADRP CCCCNC(=O)C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151156348 831033438 /nfs/dbraw/zinc/03/34/38/831033438.db2.gz ASWFMJDGCYNHIH-AWEZNQCLSA-N 2 0 328.457 -0.423 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001151156461 831033474 /nfs/dbraw/zinc/03/34/74/831033474.db2.gz CYQPJPGYCROPOK-KGLIPLIRSA-N 2 0 336.440 -0.561 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC001151156424 831033682 /nfs/dbraw/zinc/03/36/82/831033682.db2.gz CHYXLSBWKGCPFY-KBPBESRZSA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001151156720 831034416 /nfs/dbraw/zinc/03/44/16/831034416.db2.gz GNWKGBFOGAXXMA-KGLIPLIRSA-N 2 0 340.468 -0.425 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)NCC(C)(C)C ZINC001151156735 831034736 /nfs/dbraw/zinc/03/47/36/831034736.db2.gz GQBXUXFCLMWCIM-AWEZNQCLSA-N 2 0 342.484 -0.177 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)N[C@H](C)C1CC1 ZINC001151156725 831035340 /nfs/dbraw/zinc/03/53/40/831035340.db2.gz GNWKGBFOGAXXMA-ZIAGYGMSSA-N 2 0 340.468 -0.425 20 0 EBADRP CC(C)COC[C@@H](O)C[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151156466 831035430 /nfs/dbraw/zinc/03/54/30/831035430.db2.gz DEDXQJIWGCLFQI-CVEARBPZSA-N 2 0 345.484 -0.306 20 0 EBADRP CCC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151160815 831035713 /nfs/dbraw/zinc/03/57/13/831035713.db2.gz ZCTMDFOJTALHAE-LSDHHAIUSA-N 2 0 342.484 -0.035 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001151160633 831036038 /nfs/dbraw/zinc/03/60/38/831036038.db2.gz WXBCLUTVSPLAEQ-OLZOCXBDSA-N 2 0 326.441 -0.672 20 0 EBADRP CCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151159388 831036574 /nfs/dbraw/zinc/03/65/74/831036574.db2.gz SROFXENEIZWWKF-AWEZNQCLSA-N 2 0 349.497 -0.515 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)CCC[NH+]1CCCCC1 ZINC001151362467 831060509 /nfs/dbraw/zinc/06/05/09/831060509.db2.gz WHNRDZBLYXZQRN-INIZCTEOSA-N 2 0 345.484 -0.018 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001152145307 831133656 /nfs/dbraw/zinc/13/36/56/831133656.db2.gz AEFJJVIYNQQJDK-OKILXGFUSA-N 2 0 328.457 -0.282 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152145900 831133812 /nfs/dbraw/zinc/13/38/12/831133812.db2.gz FXCTXGOEDJRQLJ-ZIAGYGMSSA-N 2 0 328.457 -0.282 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001152145615 831133826 /nfs/dbraw/zinc/13/38/26/831133826.db2.gz CMTNGOHHBIJMLC-OKILXGFUSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001152148429 831134192 /nfs/dbraw/zinc/13/41/92/831134192.db2.gz PTOQYMURNOSXRK-ZIAGYGMSSA-N 2 0 346.497 -0.400 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001152149151 831135508 /nfs/dbraw/zinc/13/55/08/831135508.db2.gz VMZATAGKOWZWAD-RYUDHWBXSA-N 2 0 339.440 -0.447 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)CCC[NH+]2CCCC2)CCO1 ZINC001152237608 831144565 /nfs/dbraw/zinc/14/45/65/831144565.db2.gz RJDNYEICFXLWGB-HNNXBMFYSA-N 2 0 340.468 -0.185 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152348938 831153955 /nfs/dbraw/zinc/15/39/55/831153955.db2.gz SYNFBWZEQANKNC-GFCCVEGCSA-N 2 0 327.429 -0.588 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152339756 831154258 /nfs/dbraw/zinc/15/42/58/831154258.db2.gz BBAYCSVGIOJFSG-UHFFFAOYSA-N 2 0 327.429 -0.586 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F ZINC001152427186 831161804 /nfs/dbraw/zinc/16/18/04/831161804.db2.gz UHJLHZOQURRTJU-NSHDSACASA-N 2 0 329.363 -0.028 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001152427356 831161942 /nfs/dbraw/zinc/16/19/42/831161942.db2.gz WTKFDMOZLDJKQU-OAHLLOKOSA-N 2 0 340.468 -0.330 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O ZINC001152432549 831163200 /nfs/dbraw/zinc/16/32/00/831163200.db2.gz KPNZPTCVYPUYLX-CYBMUJFWSA-N 2 0 336.440 -0.429 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152432841 831163280 /nfs/dbraw/zinc/16/32/80/831163280.db2.gz NGJWGISOAACBQF-UHFFFAOYSA-N 2 0 329.445 -0.486 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001152451838 831164396 /nfs/dbraw/zinc/16/43/96/831164396.db2.gz JFVWKGWJSBITOM-LBPRGKRZSA-N 2 0 327.429 -0.588 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)[NH+]1CCCCC1 ZINC001152472090 831166795 /nfs/dbraw/zinc/16/67/95/831166795.db2.gz QAKUDIFBTKNVMD-STQMWFEESA-N 2 0 341.456 -0.214 20 0 EBADRP CC[N@H+](C[C@H](O)CN1CCCC1=O)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999799 831378883 /nfs/dbraw/zinc/37/88/83/831378883.db2.gz NOZSYQUSPAEVLF-CABCVRRESA-N 2 0 342.484 -0.252 20 0 EBADRP Cn1cc(N2CC[C@H]([NH2+]CCCNC(=O)[C@@H]3CCC[N@@H+]3C)C2=O)cn1 ZINC001155813559 831431810 /nfs/dbraw/zinc/43/18/10/831431810.db2.gz SDKXHADAXUCSJW-GJZGRUSLSA-N 2 0 348.451 -0.285 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)C[C@H]1C[NH2+]CCO1)C(=O)N1CCCC1 ZINC001157379953 831562953 /nfs/dbraw/zinc/56/29/53/831562953.db2.gz RYVAJBRZCKDGOM-KBPBESRZSA-N 2 0 326.441 -0.399 20 0 EBADRP O=C(N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157592864 831580477 /nfs/dbraw/zinc/58/04/77/831580477.db2.gz QYYKHGJFXNJVNJ-NRTGNBEESA-N 2 0 342.443 -0.007 20 0 EBADRP C[NH+](C)C1CN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C[NH3+])C1 ZINC001157688253 831585450 /nfs/dbraw/zinc/58/54/50/831585450.db2.gz BNFQRRPKKBPVCO-INIZCTEOSA-N 2 0 343.431 -0.074 20 0 EBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001157717016 831586592 /nfs/dbraw/zinc/58/65/92/831586592.db2.gz WFTRXPPWCRIODZ-YEWDVWPNSA-N 2 0 344.415 -0.457 20 0 EBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])CC(=O)OCc1ccccc1 ZINC001157716466 831587133 /nfs/dbraw/zinc/58/71/33/831587133.db2.gz NVAAUHHTRCWXLZ-GJZGRUSLSA-N 2 0 335.404 -0.106 20 0 EBADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001157843266 831597270 /nfs/dbraw/zinc/59/72/70/831597270.db2.gz PWDKZOXTDZOEOQ-MCIONIFRSA-N 2 0 343.493 -0.013 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001157886279 831603199 /nfs/dbraw/zinc/60/31/99/831603199.db2.gz DRIWDAGGMIDKRY-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001157893465 831603223 /nfs/dbraw/zinc/60/32/23/831603223.db2.gz HPZKIYQBEBKISV-CVEARBPZSA-N 2 0 345.484 -0.021 20 0 EBADRP C[C@@]1(O)CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001157997106 831616939 /nfs/dbraw/zinc/61/69/39/831616939.db2.gz IFGWKLMJCKJZQQ-HEHGZKQESA-N 2 0 326.441 -0.583 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158077379 831626006 /nfs/dbraw/zinc/62/60/06/831626006.db2.gz USVFQLFCKNWJMA-CHWSQXEVSA-N 2 0 325.409 -0.634 20 0 EBADRP O=C([C@@H]1CO[C@]2(C1)CCC[NH2+]CC2)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158093535 831627157 /nfs/dbraw/zinc/62/71/57/831627157.db2.gz WUZMJKPHIMNDOO-RRQGHBQHSA-N 2 0 336.436 -0.774 20 0 EBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158101051 831627982 /nfs/dbraw/zinc/62/79/82/831627982.db2.gz GOYUTOBOIFIYQF-XJKSGUPXSA-N 3 0 325.457 -0.828 20 0 EBADRP [NH3+]CC12CC(C1)CN2C(=O)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1 ZINC001158190464 831637968 /nfs/dbraw/zinc/63/79/68/831637968.db2.gz HCESLWJNHWNKIZ-CHHLVHLRSA-N 2 0 342.403 -0.047 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158197344 831638534 /nfs/dbraw/zinc/63/85/34/831638534.db2.gz WXNPDMYEIXJHQE-ZDUSSCGKSA-N 2 0 339.440 -0.730 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158196540 831638553 /nfs/dbraw/zinc/63/85/53/831638553.db2.gz NHAYIHIWWSMDRQ-CVEARBPZSA-N 2 0 343.468 -0.552 20 0 EBADRP [NH3+][C@@H](CO)Cc1cncn1-c1nc(N2CCOCC2)[nH+]c2c1CCN2 ZINC001158204964 831638569 /nfs/dbraw/zinc/63/85/69/831638569.db2.gz YFRCBLVRRAGFIH-LLVKDONJSA-N 2 0 345.407 -0.671 20 0 EBADRP COCCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158195720 831638582 /nfs/dbraw/zinc/63/85/82/831638582.db2.gz CQWRIGXXEUCNSA-HNNXBMFYSA-N 2 0 340.468 -0.423 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158196543 831638665 /nfs/dbraw/zinc/63/86/65/831638665.db2.gz NHAYIHIWWSMDRQ-HOTGVXAUSA-N 2 0 343.468 -0.552 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)c1ccn(CC[NH+](C)C)n1)C(=O)N(C)C ZINC001158288168 831643645 /nfs/dbraw/zinc/64/36/45/831643645.db2.gz QSIKZEJAKYXLHS-CYBMUJFWSA-N 2 0 338.456 -0.369 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NCCC[NH2+]CCn2cncn2)n1 ZINC001158288239 831643713 /nfs/dbraw/zinc/64/37/13/831643713.db2.gz SEEVLFXWIACGRE-UHFFFAOYSA-N 2 0 334.428 -0.554 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NCCC[NH2+]CC(=O)NC2CC2)n1 ZINC001158287954 831643906 /nfs/dbraw/zinc/64/39/06/831643906.db2.gz LLFRURJPSAGRII-UHFFFAOYSA-N 2 0 336.440 -0.567 20 0 EBADRP COCCOCC[NH2+]CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001158288080 831643950 /nfs/dbraw/zinc/64/39/50/831643950.db2.gz PBHIUWRPLQGSKN-UHFFFAOYSA-N 2 0 341.456 -0.183 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158380251 831650545 /nfs/dbraw/zinc/65/05/45/831650545.db2.gz NRXXADHNRUFWCU-RBSFLKMASA-N 2 0 331.457 -0.554 20 0 EBADRP O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158423048 831653820 /nfs/dbraw/zinc/65/38/20/831653820.db2.gz MHZHPLWYAACPOI-RWMBFGLXSA-N 2 0 327.450 -0.636 20 0 EBADRP CCn1ncnc1C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158486179 831658681 /nfs/dbraw/zinc/65/86/81/831658681.db2.gz HJIOTDKKADOUNI-ZIAGYGMSSA-N 2 0 336.440 -0.243 20 0 EBADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@@H](O)C[NH3+])C2 ZINC001158479302 831659012 /nfs/dbraw/zinc/65/90/12/831659012.db2.gz IYFZOGKVQIUIEI-GDZNZVCISA-N 2 0 339.436 -0.523 20 0 EBADRP Cn1nccc1CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158505634 831661736 /nfs/dbraw/zinc/66/17/36/831661736.db2.gz DJAONQJCPSYUIV-HOTGVXAUSA-N 2 0 335.452 -0.078 20 0 EBADRP O=C(NCCC[NH2+]Cc1nncs1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158507075 831662091 /nfs/dbraw/zinc/66/20/91/831662091.db2.gz PHCQACJYUXPCMA-RYUDHWBXSA-N 2 0 325.438 -0.003 20 0 EBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@H]1CC[C@@H]1[NH3+] ZINC001158735045 831681530 /nfs/dbraw/zinc/68/15/30/831681530.db2.gz LQJDRWYUACXLJJ-WPRPVWTQSA-N 2 0 328.394 -0.654 20 0 EBADRP CC(C)N(C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)c1ncnc2c1CC[NH2+]CC2 ZINC001158759435 831683842 /nfs/dbraw/zinc/68/38/42/831683842.db2.gz PWJLVAVNMMQTPP-VBNZEHGJSA-N 2 0 344.463 -0.144 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158934969 831696900 /nfs/dbraw/zinc/69/69/00/831696900.db2.gz LZSPXOYTBNBOIF-QLFBSQMISA-N 2 0 331.420 -0.150 20 0 EBADRP COC[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)Cc2cn(C)nc21 ZINC001159017165 831703935 /nfs/dbraw/zinc/70/39/35/831703935.db2.gz ANYPGIJWUQGIBR-JJRVBVJISA-N 2 0 333.436 -0.309 20 0 EBADRP COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)C1([NH3+])CC1 ZINC001159078192 831706440 /nfs/dbraw/zinc/70/64/40/831706440.db2.gz UXUMCWBBLWCKLG-WFASDCNBSA-N 2 0 325.409 -0.267 20 0 EBADRP Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@H]([NH3+])CCCC[NH3+])cn1 ZINC001159084002 831707669 /nfs/dbraw/zinc/70/76/69/831707669.db2.gz FBWDOPBWRZYBIT-MELADBBJSA-N 2 0 334.424 -0.417 20 0 EBADRP CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@H]21 ZINC001159108780 831708955 /nfs/dbraw/zinc/70/89/55/831708955.db2.gz GWFGWPIYUYZQMY-ZOBORPQBSA-N 2 0 326.441 -0.558 20 0 EBADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159158045 831712380 /nfs/dbraw/zinc/71/23/80/831712380.db2.gz LAMVWFKCIXICBN-CABCVRRESA-N 2 0 333.436 -0.556 20 0 EBADRP N[C@@H](C[NH3+])C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001159157381 831712591 /nfs/dbraw/zinc/71/25/91/831712591.db2.gz FBNATXAZFAFRMJ-UGUYLWEFSA-N 2 0 347.467 -0.735 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCCC[NH2+]CC(=O)NC(=O)NC ZINC001159155114 831712796 /nfs/dbraw/zinc/71/27/96/831712796.db2.gz JDSSVBSFIQJWPS-NSHDSACASA-N 2 0 333.408 -0.782 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCCC[NH2+]CCOCCNC(C)=O ZINC001159161417 831713281 /nfs/dbraw/zinc/71/32/81/831713281.db2.gz FCWSGZNOVQXGAE-HNNXBMFYSA-N 2 0 348.463 -0.085 20 0 EBADRP [NH3+][C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1)C1CC[NH2+]CC1 ZINC001159273679 831733668 /nfs/dbraw/zinc/73/36/68/831733668.db2.gz SXGWPUNIPOPSJY-IJEWVQPXSA-N 2 0 346.435 -0.781 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H](O)COCCOC ZINC001159334805 831741582 /nfs/dbraw/zinc/74/15/82/831741582.db2.gz IRVMGKRGSPLSMK-HOTGVXAUSA-N 2 0 345.484 -0.019 20 0 EBADRP O=C([C@H]1[NH2+]CC[C@H]1O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159402227 831749988 /nfs/dbraw/zinc/74/99/88/831749988.db2.gz FWOBTRTWRIJMHM-AHDPXTMNSA-N 2 0 347.419 -0.843 20 0 EBADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@H]1[NH2+]CC[C@H]1O)C2 ZINC001159481048 831755734 /nfs/dbraw/zinc/75/57/34/831755734.db2.gz ICCWLRFUNCFDGX-XLMAVXFVSA-N 2 0 337.464 -0.084 20 0 EBADRP CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@H]([NH3+])CCC[NH3+])C2 ZINC001159519796 831759224 /nfs/dbraw/zinc/75/92/24/831759224.db2.gz MVXXOHDEQIRDEJ-GFCCVEGCSA-N 2 0 337.428 -0.945 20 0 EBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H]([NH3+])CCC[NH3+])CC[C@@H]2C1 ZINC001159635333 831767406 /nfs/dbraw/zinc/76/74/06/831767406.db2.gz LMEJHDJXQVFYQL-RBSFLKMASA-N 3 0 328.457 -0.752 20 0 EBADRP [NH3+]C[C@H](O)CC(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159668586 831771528 /nfs/dbraw/zinc/77/15/28/831771528.db2.gz YNDJLNKBQVNBGX-BZUAXINKSA-N 2 0 334.420 -0.407 20 0 EBADRP CCOC(=O)c1cnc(N2CCOCC2)nc1N[C@@H]([NH3+])CCC[NH3+] ZINC001159786972 831782322 /nfs/dbraw/zinc/78/23/22/831782322.db2.gz OWESYBYJVXWVTG-GFCCVEGCSA-N 2 0 338.412 -0.075 20 0 EBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001159837812 831787329 /nfs/dbraw/zinc/78/73/29/831787329.db2.gz FXNDDHHUHOIZDG-ZIAGYGMSSA-N 2 0 338.452 -0.135 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001159839060 831787692 /nfs/dbraw/zinc/78/76/92/831787692.db2.gz SVMAEZZZCBBGQU-CYBMUJFWSA-N 2 0 341.456 -0.484 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001159911413 831796948 /nfs/dbraw/zinc/79/69/48/831796948.db2.gz YEVQBNHUZHCVTQ-GFCCVEGCSA-N 2 0 327.429 -0.460 20 0 EBADRP CN(CC[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C)S(C)(=O)=O ZINC001159915252 831797144 /nfs/dbraw/zinc/79/71/44/831797144.db2.gz IKIGYBDLXJMHKH-CYBMUJFWSA-N 2 0 334.486 -0.686 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001159997341 831804645 /nfs/dbraw/zinc/80/46/45/831804645.db2.gz MLVYIFUXXYIZRJ-UHFFFAOYSA-N 2 0 328.457 -0.281 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21 ZINC001160017973 831805900 /nfs/dbraw/zinc/80/59/00/831805900.db2.gz DFXABBABQHITCY-YJNKXOJESA-N 2 0 338.452 -0.177 20 0 EBADRP Cc1ccc(N(C(=O)[C@@H](N)C[NH3+])[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160049500 831810396 /nfs/dbraw/zinc/81/03/96/831810396.db2.gz AABDRVDDSIJREP-XEZPLFJOSA-N 2 0 334.424 -0.685 20 0 EBADRP O=C([C@H]1C[NH2+]CCN1)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160139023 831818980 /nfs/dbraw/zinc/81/89/80/831818980.db2.gz SVDVUPUCLLGKEE-HWMZRRJGSA-N 2 0 345.447 -0.257 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155851 831820175 /nfs/dbraw/zinc/82/01/75/831820175.db2.gz MMPUDYVNTGADKA-MJBXVCDLSA-N 3 0 328.482 -0.673 20 0 EBADRP CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)CCO2 ZINC001160178225 831821865 /nfs/dbraw/zinc/82/18/65/831821865.db2.gz GNVBMEHXUUXORF-RHSMWYFYSA-N 2 0 336.436 -0.965 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001160193857 831823714 /nfs/dbraw/zinc/82/37/14/831823714.db2.gz RXQPGKLXLGTARW-LBPRGKRZSA-N 2 0 332.412 -0.679 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160421847 831848732 /nfs/dbraw/zinc/84/87/32/831848732.db2.gz VGKCCMQLMXMBMK-STQMWFEESA-N 2 0 343.472 -0.097 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N(CCO)Cc1cccs1 ZINC001160446285 831852190 /nfs/dbraw/zinc/85/21/90/831852190.db2.gz FYUWEYLJEZHMQX-CQSZACIVSA-N 2 0 326.466 -0.181 20 0 EBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCN(CCc2ccccn2)CC1 ZINC001160483689 831854920 /nfs/dbraw/zinc/85/49/20/831854920.db2.gz VILBWEHLYZPBOA-MRXNPFEDSA-N 2 0 329.448 -0.423 20 0 EBADRP NC1(C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)CC[NH+](Cc2ccccc2)CC1 ZINC001160652878 831876498 /nfs/dbraw/zinc/87/64/98/831876498.db2.gz PHTBGPVVUUXBDK-HZPDHXFCSA-N 2 0 332.448 -0.100 20 0 EBADRP [NH3+][C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CN(c2ccccc2)C3)C[C@H]1O ZINC001160655472 831877157 /nfs/dbraw/zinc/87/71/57/831877157.db2.gz NEXFNTDFLFEBKZ-IIVZCXTMSA-N 2 0 330.432 -0.367 20 0 EBADRP CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160679853 831878107 /nfs/dbraw/zinc/87/81/07/831878107.db2.gz LFJRMBCAWLRJEC-ZDUSSCGKSA-N 2 0 328.457 -0.073 20 0 EBADRP CN(CC[NH+]1CCCC1)C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001160689604 831878880 /nfs/dbraw/zinc/87/88/80/831878880.db2.gz ZLOXDBYCBXCTPP-ZDUSSCGKSA-N 2 0 328.457 -0.201 20 0 EBADRP CCNC(=O)CO[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001160747473 831882639 /nfs/dbraw/zinc/88/26/39/831882639.db2.gz SKQPQGAVNYNHDK-NEPJUHHUSA-N 2 0 332.470 -0.851 20 0 EBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCC2(CC1)CNC(=O)CO2 ZINC001160772525 831884602 /nfs/dbraw/zinc/88/46/02/831884602.db2.gz TVYRRELESBRLDM-ZDUSSCGKSA-N 2 0 336.436 -0.632 20 0 EBADRP O=C(N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001160779937 831885990 /nfs/dbraw/zinc/88/59/90/831885990.db2.gz LMBDSDFIDFABKW-OGWHTMIXSA-N 2 0 326.444 -0.063 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@]2(C1)CC(F)(F)CO2 ZINC001160772711 831886013 /nfs/dbraw/zinc/88/60/13/831886013.db2.gz WGWFCIFMGVZUGG-GXTWGEPZSA-N 2 0 332.395 -0.237 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)C[C@H]1C2 ZINC001160792003 831887338 /nfs/dbraw/zinc/88/73/38/831887338.db2.gz KZBMBPBGVMZBOV-BPHOYSPBSA-N 2 0 349.431 -0.780 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@]34CC[C@H]3C[NH2+]C4)C[C@H]1C2 ZINC001160791884 831887384 /nfs/dbraw/zinc/88/73/84/831887384.db2.gz HALADLJEKCXJHY-RACNXDKBSA-N 2 0 333.432 -0.157 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3[NH2+][C@H]4CC[C@@H]3C4)C[C@H]1C2 ZINC001160795462 831888419 /nfs/dbraw/zinc/88/84/19/831888419.db2.gz YBXVTQHXHALKTH-ZFGUVUFVSA-N 2 0 333.432 -0.016 20 0 EBADRP CCOC(=O)c1cnc2n1CCN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001160806758 831889279 /nfs/dbraw/zinc/88/92/79/831889279.db2.gz VEAYWAKKZOTTCW-GFCCVEGCSA-N 2 0 347.419 -0.747 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)[C@H]3CC[NH2+]C[C@@H]3F)C[C@H]1C[NH2+]CC2 ZINC001160814312 831890050 /nfs/dbraw/zinc/89/00/50/831890050.db2.gz YUBQZKBZQOGTDL-LMOYCYGVSA-N 2 0 327.400 -0.065 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)[C@H]3C[C@H](OC)CC[NH2+]3)C[C@H]1C[NH2+]CC2 ZINC001160813896 831890358 /nfs/dbraw/zinc/89/03/58/831890358.db2.gz KSPPUPZAQHTANU-VMUDFCTBSA-N 2 0 339.436 -0.245 20 0 EBADRP Nc1cccnc1N1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001160825605 831892429 /nfs/dbraw/zinc/89/24/29/831892429.db2.gz FMSJCZRBLZGRRE-HNNXBMFYSA-N 2 0 347.467 -0.937 20 0 EBADRP C[NH+](C)C[C@H]1COCCN1C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001160837581 831893268 /nfs/dbraw/zinc/89/32/68/831893268.db2.gz BUFRCZNUMQSCNV-STQMWFEESA-N 2 0 344.456 -0.966 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160867565 831901101 /nfs/dbraw/zinc/90/11/01/831901101.db2.gz HGNJBGWTOGLCGW-OLZOCXBDSA-N 2 0 339.440 -0.445 20 0 EBADRP CC[C@H](C(=O)NCCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)[NH+](C)C ZINC001160889646 831904109 /nfs/dbraw/zinc/90/41/09/831904109.db2.gz NKPIQVIXEOBOFR-CYBMUJFWSA-N 2 0 339.440 -0.980 20 0 EBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(CC1)OC(=O)c1ccncc12 ZINC001161010748 831913425 /nfs/dbraw/zinc/91/34/25/831913425.db2.gz MEIPGGYTQWTOGZ-AWEZNQCLSA-N 2 0 342.399 -0.121 20 0 EBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161007042 831913433 /nfs/dbraw/zinc/91/34/33/831913433.db2.gz HQEPAKQEVLUGDI-STQMWFEESA-N 2 0 326.441 -0.809 20 0 EBADRP O=C(c1cnc(N2CC[NH2+]CC2)cn1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161009172 831913828 /nfs/dbraw/zinc/91/38/28/831913828.db2.gz TWCOIUPFDMBGHI-AWEZNQCLSA-N 2 0 346.435 -0.785 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161042064 831916456 /nfs/dbraw/zinc/91/64/56/831916456.db2.gz NJYAYSPVFJGXMQ-ZDUSSCGKSA-N 2 0 341.456 -0.198 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1nnc2n1CCOC2 ZINC001161042432 831917665 /nfs/dbraw/zinc/91/76/65/831917665.db2.gz RCIDKJYIHPFUEE-ZDUSSCGKSA-N 2 0 336.440 -0.112 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161053499 831918419 /nfs/dbraw/zinc/91/84/19/831918419.db2.gz VBKPVAUNSXQWNW-VXGBXAGGSA-N 2 0 327.429 -0.589 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161053497 831918462 /nfs/dbraw/zinc/91/84/62/831918462.db2.gz VBKPVAUNSXQWNW-NWDGAFQWSA-N 2 0 327.429 -0.589 20 0 EBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N(C)C2(C)CC[NH2+]CC2)COC1(C)C ZINC001161073549 831920085 /nfs/dbraw/zinc/92/00/85/831920085.db2.gz PSUBFLHYBFKUBG-RYUDHWBXSA-N 2 0 326.441 -0.102 20 0 EBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C[C@@H]21 ZINC001161085071 831921339 /nfs/dbraw/zinc/92/13/39/831921339.db2.gz MKZVGBJUZKFLFD-RDBSUJKOSA-N 2 0 340.468 -0.202 20 0 EBADRP COC(=O)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)[C@@H]1C ZINC001161117471 831928756 /nfs/dbraw/zinc/92/87/56/831928756.db2.gz LLDARTAMIBLPAW-BNOWGMLFSA-N 2 0 326.441 -0.463 20 0 EBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1C[N@@H+](C(C)(C)C)CCN1 ZINC001161157599 831932912 /nfs/dbraw/zinc/93/29/12/831932912.db2.gz GGODWCTUWGFEJS-ZDUSSCGKSA-N 2 0 328.457 -0.201 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC(O)CC1 ZINC001161183260 831935649 /nfs/dbraw/zinc/93/56/49/831935649.db2.gz XALPFDFDQKRNDE-KBPBESRZSA-N 2 0 326.441 -0.583 20 0 EBADRP CN(C(=O)[C@@H]1C[NH2+]C[C@]12c1ccccc1NC2=O)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161220000 831937216 /nfs/dbraw/zinc/93/72/16/831937216.db2.gz VIXGMGZZFHALRW-QARZAVKVSA-N 2 0 326.400 -0.228 20 0 EBADRP [NH3+]C[C@@]1(F)CCN(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1 ZINC001161240374 831941040 /nfs/dbraw/zinc/94/10/40/831941040.db2.gz ZGAIFEWTLFXFAI-RISCZKNCSA-N 2 0 333.429 -0.700 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161269524 831943024 /nfs/dbraw/zinc/94/30/24/831943024.db2.gz HALPQDYIUGZIPL-ZDUSSCGKSA-N 2 0 332.470 -0.531 20 0 EBADRP COc1cnc(O[C@@H]2CCN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C2)nc1 ZINC001161299015 831945420 /nfs/dbraw/zinc/94/54/20/831945420.db2.gz REILCAZYRAJAAB-PBFPGSCMSA-N 2 0 347.419 -0.336 20 0 EBADRP Cc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001161306522 831946561 /nfs/dbraw/zinc/94/65/61/831946561.db2.gz ONZQBHJVLWTROB-AWEZNQCLSA-N 2 0 331.420 -0.631 20 0 EBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161380830 831951164 /nfs/dbraw/zinc/95/11/64/831951164.db2.gz VVBNSWTYEQODSU-BJJXKVORSA-N 2 0 339.484 -0.500 20 0 EBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161376720 831951205 /nfs/dbraw/zinc/95/12/05/831951205.db2.gz CRYLDCQAIGYABM-KBPBESRZSA-N 2 0 343.497 -0.836 20 0 EBADRP C[NH+](C)CCN(C(=O)[C@@H]1C[NH2+]Cc2ccnn2C1)[C@@H]1CCC[NH2+]C1 ZINC001161443447 831958031 /nfs/dbraw/zinc/95/80/31/831958031.db2.gz UTJXJYCJLOJPOL-HUUCEWRRSA-N 3 0 334.468 -0.255 20 0 EBADRP COC(=O)[C@@H]1C[C@H](C(=O)N(CC[NH+](C)C)[C@@H]2CCC[NH2+]C2)CCN1 ZINC001161444340 831958136 /nfs/dbraw/zinc/95/81/36/831958136.db2.gz GIYOYQGWVJDCMT-KFWWJZLASA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161444363 831958155 /nfs/dbraw/zinc/95/81/55/831958155.db2.gz GPSINFYMTJBRMH-ZNMIVQPWSA-N 3 0 339.484 -0.533 20 0 EBADRP C[NH2+][C@@H]1CCCN(CC(=O)N2CC[C@]3(C(=O)OC)CC[NH2+][C@H]3C2)C1 ZINC001161482961 831964262 /nfs/dbraw/zinc/96/42/62/831964262.db2.gz YDYWXOBJQNDGPB-JKIFEVAISA-N 2 0 338.452 -0.576 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)c2cccc(CN3CC[NH2+]CC3)c2)CC12COC2 ZINC001161508366 831967651 /nfs/dbraw/zinc/96/76/51/831967651.db2.gz YYIILYLDFMSIRD-MRXNPFEDSA-N 2 0 330.432 -0.109 20 0 EBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCn2ncc(Br)c2C1 ZINC001161523872 831969217 /nfs/dbraw/zinc/96/92/17/831969217.db2.gz RPQHPCQKYFGFAU-SECBINFHSA-N 2 0 340.225 -0.203 20 0 EBADRP COC(=O)c1cnc2c(c1)CN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001161572816 831974040 /nfs/dbraw/zinc/97/40/40/831974040.db2.gz ZGKXBYYYTGVNGG-CYBMUJFWSA-N 2 0 330.388 -0.438 20 0 EBADRP CNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C)(COC)CC1 ZINC001162171384 832023555 /nfs/dbraw/zinc/02/35/55/832023555.db2.gz QCCISFIVFUSISK-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@]1([NH3+])C[C@H](Nc2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C1 ZINC001162325402 832034371 /nfs/dbraw/zinc/03/43/71/832034371.db2.gz XZHMHTOQCBXZAF-DEZZCRIOSA-N 2 0 325.438 -0.140 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1(COC)CC[NH+](CC(=O)NC)CC1 ZINC001162539111 832051177 /nfs/dbraw/zinc/05/11/77/832051177.db2.gz GYEQHGMFPNDPEG-UHFFFAOYSA-N 2 0 342.484 -0.081 20 0 EBADRP COCC1(CNC(=O)C23CC[NH+](CC2)C3)CC[NH+](CCO)CC1 ZINC001162577448 832054674 /nfs/dbraw/zinc/05/46/74/832054674.db2.gz XOBDEEWJRAMJNH-UHFFFAOYSA-N 2 0 325.453 -0.081 20 0 EBADRP COCC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001162604554 832055244 /nfs/dbraw/zinc/05/52/44/832055244.db2.gz XLGPBXNDWKTZLO-KGLIPLIRSA-N 2 0 340.468 -0.343 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1)N1CCOCC1 ZINC001162617515 832056408 /nfs/dbraw/zinc/05/64/08/832056408.db2.gz KPQGNKWKXOWVNA-UHFFFAOYSA-N 2 0 345.403 -0.097 20 0 EBADRP O=C(NCCC[NH2+][C@H]1CCC(=O)NC1=O)c1ccc2c[nH+]cn2c1 ZINC001162617564 832056934 /nfs/dbraw/zinc/05/69/34/832056934.db2.gz MOGYGCIJTCWOKK-ZDUSSCGKSA-N 2 0 329.360 -0.151 20 0 EBADRP Cn1[nH]c(C[NH2+]CCCNC(=O)c2ccc3c[nH+]cn3c2)nc1=O ZINC001162617744 832057285 /nfs/dbraw/zinc/05/72/85/832057285.db2.gz QKFGMBYZSLNEGS-UHFFFAOYSA-N 2 0 329.364 -0.334 20 0 EBADRP O=C(NCCC[NH2+]CCn1cccn1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162857598 832067363 /nfs/dbraw/zinc/06/73/63/832067363.db2.gz QGHROGQWFFDNKE-CKDBGZEDSA-N 2 0 333.436 -0.158 20 0 EBADRP O=C(NCCC[NH2+]Cc1nncs1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872561 832068051 /nfs/dbraw/zinc/06/80/51/832068051.db2.gz WCKUMBZZFQCVPE-MQYJIDSJSA-N 2 0 337.449 -0.003 20 0 EBADRP Cc1nonc1C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872205 832068491 /nfs/dbraw/zinc/06/84/91/832068491.db2.gz KMRQPNBGLCVYLA-CXOJTPOUSA-N 2 0 335.408 -0.163 20 0 EBADRP O=C(NCCC[NH2+][C@H]1CCCNC1=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872382 832068927 /nfs/dbraw/zinc/06/89/27/832068927.db2.gz QDLRRDNFEZNTKB-YRTQGLMCSA-N 2 0 336.436 -0.776 20 0 EBADRP CCn1cc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)nn1 ZINC001162872138 832068953 /nfs/dbraw/zinc/06/89/53/832068953.db2.gz HVRAFGBFSVZRCP-GULBITTBSA-N 2 0 348.451 -0.243 20 0 EBADRP CCn1cc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)nn1 ZINC001162872137 832069146 /nfs/dbraw/zinc/06/91/46/832069146.db2.gz HVRAFGBFSVZRCP-GNHJJJEISA-N 2 0 348.451 -0.243 20 0 EBADRP Cc1cc(OC2CC[NH2+]CC2)nc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)n1 ZINC001163234786 832091815 /nfs/dbraw/zinc/09/18/15/832091815.db2.gz BQWLLVLMWJGYCV-MLGOLLRUSA-N 2 0 332.408 -0.094 20 0 EBADRP Cn1[nH]c(C[NH2+]CCCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)nc1=O ZINC001163224358 832092068 /nfs/dbraw/zinc/09/20/68/832092068.db2.gz UIVVOLFXYXWRPA-CQSZACIVSA-N 2 0 336.440 -0.421 20 0 EBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ccc3nc([C@H]4CC[NH2+]C4)nn3c2)N1 ZINC001163252575 832093597 /nfs/dbraw/zinc/09/35/97/832093597.db2.gz ANLMOXPHDJCVOP-KNHMANMVSA-N 2 0 327.392 -0.204 20 0 EBADRP COC(=O)[C@H](C[NH3+])Cc1ccc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)cc1 ZINC001163255163 832093987 /nfs/dbraw/zinc/09/39/87/832093987.db2.gz XAFBDITYCVUPEX-DXCKQFNASA-N 2 0 332.404 -0.033 20 0 EBADRP COC(=O)[C@H](C[NH3+])Cc1ccc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)cc1 ZINC001163255166 832094047 /nfs/dbraw/zinc/09/40/47/832094047.db2.gz XAFBDITYCVUPEX-RVSPLBMKSA-N 2 0 332.404 -0.033 20 0 EBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001350040698 832108466 /nfs/dbraw/zinc/10/84/66/832108466.db2.gz FZSOPHCOBDDPFK-AWEZNQCLSA-N 2 0 339.484 -0.804 20 0 EBADRP CCOC(=O)c1cn(-c2cncc(N3CC[NH2+]CC3)n2)nc1C[NH3+] ZINC001163525616 832119806 /nfs/dbraw/zinc/11/98/06/832119806.db2.gz XVQOSKWMLJVGGC-UHFFFAOYSA-N 2 0 331.380 -0.293 20 0 EBADRP C[C@@H]([NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1)C(=O)NC(N)=O ZINC001163822322 832142063 /nfs/dbraw/zinc/14/20/63/832142063.db2.gz ZAMUZCDTUAHLOC-VXGBXAGGSA-N 2 0 339.440 -0.460 20 0 EBADRP COC[C@H](C)NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001350527067 832173428 /nfs/dbraw/zinc/17/34/28/832173428.db2.gz GXMYLGUEYGSGNA-BFHYXJOUSA-N 2 0 328.457 -0.665 20 0 EBADRP CN(c1ncc(OCC2CC[NH+](C)CC2)cn1)S(=O)(=O)CC[NH3+] ZINC001164287503 832180911 /nfs/dbraw/zinc/18/09/11/832180911.db2.gz SMWFQQQNCWHHTQ-UHFFFAOYSA-N 2 0 343.453 -0.078 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001350780336 832193878 /nfs/dbraw/zinc/19/38/78/832193878.db2.gz QKOWJVWCMOSDDH-HNNXBMFYSA-N 2 0 340.468 -0.280 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NS(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC001350910068 832203949 /nfs/dbraw/zinc/20/39/49/832203949.db2.gz NCXAAWJYEGNPJI-CQSZACIVSA-N 2 0 346.497 -0.352 20 0 EBADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001165263669 832209627 /nfs/dbraw/zinc/20/96/27/832209627.db2.gz UDKZQPKWLCXFBD-CYBMUJFWSA-N 2 0 331.482 -0.141 20 0 EBADRP c1nc2n(n1)C1(CC[NH2+]CC1)CN(c1cc(C3C[NH2+]C3)ncn1)C2 ZINC001165313580 832214728 /nfs/dbraw/zinc/21/47/28/832214728.db2.gz LWJNFAFVEPTMMQ-UHFFFAOYSA-N 2 0 326.408 -0.146 20 0 EBADRP C[NH+](C)CCCC(=O)NCCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001165377931 832218564 /nfs/dbraw/zinc/21/85/64/832218564.db2.gz BWSRQUIRTHPAKW-CVEARBPZSA-N 2 0 345.484 -0.019 20 0 EBADRP Cn1nnnc1C[NH2+]CC1(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001165485383 832223051 /nfs/dbraw/zinc/22/30/51/832223051.db2.gz UGEDDNSNFSRVBS-AWEZNQCLSA-N 2 0 335.456 -0.074 20 0 EBADRP COC[C@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165776636 832237261 /nfs/dbraw/zinc/23/72/61/832237261.db2.gz MDTAPJITMDLYEX-GOEBONIOSA-N 2 0 345.484 -0.164 20 0 EBADRP CN(CC[NH2+]CCCNC(=O)C1CC[NH+](C)CC1)S(C)(=O)=O ZINC001165776392 832237328 /nfs/dbraw/zinc/23/73/28/832237328.db2.gz HSJJJXSHWIRDPQ-UHFFFAOYSA-N 2 0 334.486 -0.685 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165776502 832237504 /nfs/dbraw/zinc/23/75/04/832237504.db2.gz JRUIZDKPAMHEDZ-HNNXBMFYSA-N 2 0 331.457 -0.552 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165776512 832237566 /nfs/dbraw/zinc/23/75/66/832237566.db2.gz JRUIZDKPAMHEDZ-OAHLLOKOSA-N 2 0 331.457 -0.552 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165772407 832237582 /nfs/dbraw/zinc/23/75/82/832237582.db2.gz PCCVUUQTQRCRAB-UHFFFAOYSA-N 2 0 327.429 -0.730 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166009877 832245950 /nfs/dbraw/zinc/24/59/50/832245950.db2.gz ARLYTVSHPCFWNV-NWDGAFQWSA-N 2 0 329.445 -0.487 20 0 EBADRP CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCO[C@H](C)C1)[NH+](C)C ZINC001166010170 832245963 /nfs/dbraw/zinc/24/59/63/832245963.db2.gz JNHJYZCCIFIJNE-GDBMZVCRSA-N 2 0 342.484 -0.084 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001166633456 832275121 /nfs/dbraw/zinc/27/51/21/832275121.db2.gz GIUJCKQVNHPNHA-CABCVRRESA-N 2 0 340.468 -0.138 20 0 EBADRP COCCCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001166634186 832276381 /nfs/dbraw/zinc/27/63/81/832276381.db2.gz QGMSTVZMZASCBC-AWEZNQCLSA-N 2 0 328.457 -0.281 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001166678535 832279944 /nfs/dbraw/zinc/27/99/44/832279944.db2.gz WFTZZQNNVAQRLD-ZDUSSCGKSA-N 2 0 339.440 -0.634 20 0 EBADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001166687069 832280160 /nfs/dbraw/zinc/28/01/60/832280160.db2.gz IITATJRPCGXYCD-HNNXBMFYSA-N 2 0 345.419 -0.510 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001166694088 832280537 /nfs/dbraw/zinc/28/05/37/832280537.db2.gz VLJSGTDILGWFEI-OLZOCXBDSA-N 2 0 339.440 -0.778 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001166707704 832281637 /nfs/dbraw/zinc/28/16/37/832281637.db2.gz IFCLLLVJXKLYFU-OLZOCXBDSA-N 2 0 341.456 -0.484 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)Nc1cnccn1 ZINC001166708615 832282385 /nfs/dbraw/zinc/28/23/85/832282385.db2.gz UUTWQCJZHMWSNU-QWHCGFSZSA-N 2 0 334.424 -0.291 20 0 EBADRP C[N@H+](CC(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O)CC(C)(C)C ZINC001166744446 832287145 /nfs/dbraw/zinc/28/71/45/832287145.db2.gz XJWKWZSLIWTIJB-LBPRGKRZSA-N 2 0 326.441 -0.135 20 0 EBADRP C[C@H](COCC(=O)NCCC[NH2+]CCS(C)(=O)=O)[NH+]1CCCC1 ZINC001166930247 832299724 /nfs/dbraw/zinc/29/97/24/832299724.db2.gz BEIFGCCWJFCRQE-CQSZACIVSA-N 2 0 349.497 -0.372 20 0 EBADRP C[C@H](COCC(=O)NCCC[NH2+]Cc1nnnn1C)[NH+]1CCCC1 ZINC001166930760 832300198 /nfs/dbraw/zinc/30/01/98/832300198.db2.gz NAXCEKALPPNLPV-CYBMUJFWSA-N 2 0 339.444 -0.693 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001167627490 832360543 /nfs/dbraw/zinc/36/05/43/832360543.db2.gz ONVTVMJPQOPIOJ-GFCCVEGCSA-N 2 0 327.429 -0.460 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001167636680 832361312 /nfs/dbraw/zinc/36/13/12/832361312.db2.gz XZLLUSLLYKTJGO-CHWSQXEVSA-N 2 0 341.456 -0.071 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC1(C[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001167733054 832367766 /nfs/dbraw/zinc/36/77/66/832367766.db2.gz SUVLSQUOPIQSHF-CQSZACIVSA-N 2 0 340.468 -0.281 20 0 EBADRP O=C(NCCC1(C[NH2+]CCN2CCNC2=O)CC1)C12CC[NH+](CC1)C2 ZINC001167749142 832369779 /nfs/dbraw/zinc/36/97/79/832369779.db2.gz VYFLKBSPHRKWMF-UHFFFAOYSA-N 2 0 349.479 -0.017 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+]CC(=O)NC(=O)NC)CC1 ZINC001167814680 832377209 /nfs/dbraw/zinc/37/72/09/832377209.db2.gz BGRUBVPLOMUUCH-UHFFFAOYSA-N 2 0 341.456 -0.340 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+]CCNS(C)(=O)=O)CC1 ZINC001167835494 832378163 /nfs/dbraw/zinc/37/81/63/832378163.db2.gz HHCDIKYZSDXDDC-UHFFFAOYSA-N 2 0 348.513 -0.247 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001168148022 832399446 /nfs/dbraw/zinc/39/94/46/832399446.db2.gz XSKDJJKTLCNRJD-UHFFFAOYSA-N 2 0 339.440 -0.586 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001168320522 832414204 /nfs/dbraw/zinc/41/42/04/832414204.db2.gz ANCAABRHHLDPMT-UHFFFAOYSA-N 2 0 327.429 -0.602 20 0 EBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC[N@@H+]1C ZINC001353263250 832418781 /nfs/dbraw/zinc/41/87/81/832418781.db2.gz XXJJMGKNPPLSFA-WOPDTQHZSA-N 2 0 332.395 -0.054 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC001353278093 832419405 /nfs/dbraw/zinc/41/94/05/832419405.db2.gz KRLSLRYPYOQDGN-AWEZNQCLSA-N 2 0 338.452 -0.528 20 0 EBADRP O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)N1CCNCC[NH2+]CC1 ZINC001353467654 832429151 /nfs/dbraw/zinc/42/91/51/832429151.db2.gz PELWFNLJEDHQAU-KGLIPLIRSA-N 2 0 327.498 -0.229 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001168755761 832434188 /nfs/dbraw/zinc/43/41/88/832434188.db2.gz RSTIRQSHHKDATC-AWEZNQCLSA-N 2 0 328.457 -0.281 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001168763076 832434275 /nfs/dbraw/zinc/43/42/75/832434275.db2.gz JJMXWXTYHAESPN-UHFFFAOYSA-N 2 0 327.429 -0.634 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)n1 ZINC001354937521 832537532 /nfs/dbraw/zinc/53/75/32/832537532.db2.gz KVLHNERVSBLIDF-MELADBBJSA-N 2 0 348.451 -0.160 20 0 EBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCCCCN1CC[NH2+]CC1 ZINC001354968717 832540822 /nfs/dbraw/zinc/54/08/22/832540822.db2.gz DBISWCPFANOPNS-CQSZACIVSA-N 2 0 325.457 -0.954 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CC(=O)NCC(C)(C)C ZINC001171205028 832550564 /nfs/dbraw/zinc/55/05/64/832550564.db2.gz KHTWDGXEKXOSIN-UHFFFAOYSA-N 2 0 330.473 -0.177 20 0 EBADRP CC[C@H](C)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171216879 832551490 /nfs/dbraw/zinc/55/14/90/832551490.db2.gz KIEZWWGGSQYPJR-UONOGXRCSA-N 2 0 330.473 -0.036 20 0 EBADRP CC(C)COC[C@@H](O)C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171216851 832551519 /nfs/dbraw/zinc/55/15/19/832551519.db2.gz JQPPAIWVABXQHB-HNNXBMFYSA-N 2 0 333.473 -0.306 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001171227605 832552368 /nfs/dbraw/zinc/55/23/68/832552368.db2.gz QGJJHTWIMKYYBU-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP O=C(NCCC[NH2+]CCN1CCCS1(=O)=O)C12CC[NH+](CC1)C2 ZINC001171311470 832555308 /nfs/dbraw/zinc/55/53/08/832555308.db2.gz SOHMJQFPJKXSJK-UHFFFAOYSA-N 2 0 344.481 -0.786 20 0 EBADRP COC[C@@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171294690 832555334 /nfs/dbraw/zinc/55/53/34/832555334.db2.gz VWBJVUCQJRRQGS-HUUCEWRRSA-N 2 0 343.468 -0.410 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2)NC[C@@H]1CCOC1 ZINC001171303365 832555960 /nfs/dbraw/zinc/55/59/60/832555960.db2.gz HOCJEBAPOAJJHH-AWEZNQCLSA-N 2 0 338.452 -0.669 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171585412 832565812 /nfs/dbraw/zinc/56/58/12/832565812.db2.gz SIERVKLCYMMCOC-GFCCVEGCSA-N 2 0 329.445 -0.342 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001171732105 832574012 /nfs/dbraw/zinc/57/40/12/832574012.db2.gz VCLQKAWUTARPTL-UHFFFAOYSA-N 2 0 341.456 -0.244 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001171732079 832574267 /nfs/dbraw/zinc/57/42/67/832574267.db2.gz UIBVWUIDHDWXDF-UHFFFAOYSA-N 2 0 327.429 -0.634 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001171725032 832574333 /nfs/dbraw/zinc/57/43/33/832574333.db2.gz DXXDLTAKTIZGIJ-UHFFFAOYSA-N 2 0 348.513 -0.150 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001171762387 832575090 /nfs/dbraw/zinc/57/50/90/832575090.db2.gz BXZOLMMUZCKYLS-UHFFFAOYSA-N 2 0 327.429 -0.588 20 0 EBADRP C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175264265 832619905 /nfs/dbraw/zinc/61/99/05/832619905.db2.gz RNUWYVLAPOFSAE-OLZOCXBDSA-N 2 0 341.456 -0.212 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CCC([NH3+])CC2)CC[N@@H+]1C ZINC001356427642 832628143 /nfs/dbraw/zinc/62/81/43/832628143.db2.gz LYLADYFZDXVLHU-TZMCWYRMSA-N 2 0 325.457 -0.875 20 0 EBADRP C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)COC1CC[NH+](C)CC1 ZINC001175941237 832650644 /nfs/dbraw/zinc/65/06/44/832650644.db2.gz YMHDXCBSYQCKOW-ZDUSSCGKSA-N 2 0 328.457 -0.153 20 0 EBADRP Cn1ccc(N2CC[C@@H]([NH2+]CCCNC(=O)[C@H]3CC[N@H+](C)C3)C2=O)n1 ZINC001176057530 832654386 /nfs/dbraw/zinc/65/43/86/832654386.db2.gz PRHZPITZGSBINY-UONOGXRCSA-N 2 0 348.451 -0.427 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176095896 832657350 /nfs/dbraw/zinc/65/73/50/832657350.db2.gz KLXSAOYYSPSQGI-ZIAGYGMSSA-N 2 0 328.457 -0.425 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176103463 832657479 /nfs/dbraw/zinc/65/74/79/832657479.db2.gz ZNWRVKIYEWHMKM-UHFFFAOYSA-N 2 0 327.429 -0.586 20 0 EBADRP Cn1cc(N2CC[C@H]([NH2+]CCCNC(=O)C[NH+]3CCCC3)C2=O)cn1 ZINC001176109980 832657908 /nfs/dbraw/zinc/65/79/08/832657908.db2.gz FYQLIWQUBWLSSN-HNNXBMFYSA-N 2 0 348.451 -0.283 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001176160528 832660371 /nfs/dbraw/zinc/66/03/71/832660371.db2.gz HTXCAFCVYWCCSB-AWEZNQCLSA-N 2 0 340.468 -0.423 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CCN1CCCC1=O ZINC001176162717 832661093 /nfs/dbraw/zinc/66/10/93/832661093.db2.gz YNWLEWXONJIJRE-OAHLLOKOSA-N 2 0 340.468 -0.327 20 0 EBADRP CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176168985 832661125 /nfs/dbraw/zinc/66/11/25/832661125.db2.gz IJKMGEKCZMEECC-CABCVRRESA-N 2 0 342.484 -0.035 20 0 EBADRP CCN(CC)C(=O)C[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176169026 832661290 /nfs/dbraw/zinc/66/12/90/832661290.db2.gz JIWKJSFAYRBPCB-HNNXBMFYSA-N 2 0 342.484 -0.081 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCCNC(=O)CCC[NH+]1CCCCC1 ZINC001176318410 832666423 /nfs/dbraw/zinc/66/64/23/832666423.db2.gz NQOKORWLHFGRCO-UHFFFAOYSA-N 2 0 348.513 -0.102 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)CCC[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001176328321 832667048 /nfs/dbraw/zinc/66/70/48/832667048.db2.gz SFHGOMFAZLPIAF-ZDUSSCGKSA-N 2 0 341.456 -0.068 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)CC[NH+]1CCCCC1 ZINC001176934090 832713045 /nfs/dbraw/zinc/71/30/45/832713045.db2.gz MQFRQAPBRNWBAE-UHFFFAOYSA-N 2 0 348.513 -0.102 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]C[C@H](O)COCCOC ZINC001176992283 832727371 /nfs/dbraw/zinc/72/73/71/832727371.db2.gz LEEKDEVWOASNJD-HOTGVXAUSA-N 2 0 345.484 -0.019 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001178045655 832816334 /nfs/dbraw/zinc/81/63/34/832816334.db2.gz RABULILGMQWBPF-CYBMUJFWSA-N 2 0 341.456 -0.198 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001178045069 832816432 /nfs/dbraw/zinc/81/64/32/832816432.db2.gz BPPFNWSFFHKTNY-GFCCVEGCSA-N 2 0 327.429 -0.458 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCN(C)S(C)(=O)=O)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001178356128 832854057 /nfs/dbraw/zinc/85/40/57/832854057.db2.gz IKSUHCCBTDKEEH-MELADBBJSA-N 2 0 346.497 -0.449 20 0 EBADRP COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178356181 832854360 /nfs/dbraw/zinc/85/43/60/832854360.db2.gz JBZUXIJZFLQESL-SOUVJXGZSA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001178698757 832901100 /nfs/dbraw/zinc/90/11/00/832901100.db2.gz STBMKLUNVDJPFR-CQSZACIVSA-N 2 0 341.456 -0.212 20 0 EBADRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]CCN1C(=O)CNC1=O ZINC001179463760 832981190 /nfs/dbraw/zinc/98/11/90/832981190.db2.gz KGEADVXDNAYPNU-UHFFFAOYSA-N 2 0 341.456 -0.244 20 0 EBADRP C[C@H](COCC(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C)[NH+]1CCCC1 ZINC001179561944 832988318 /nfs/dbraw/zinc/98/83/18/832988318.db2.gz YSULYJMXXPKHDH-RDBSUJKOSA-N 2 0 326.441 -0.448 20 0 EBADRP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212410594 837677297 /nfs/dbraw/zinc/67/72/97/837677297.db2.gz TUUYSINLOGYNGD-BZUAXINKSA-N 2 0 343.468 -0.195 20 0 EBADRP CN(CC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001187106919 833900924 /nfs/dbraw/zinc/90/09/24/833900924.db2.gz QRWISKKDULXISE-ZIAGYGMSSA-N 2 0 346.497 -0.590 20 0 EBADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187106885 833901997 /nfs/dbraw/zinc/90/19/97/833901997.db2.gz PIRBARVEFPDVTD-CQSZACIVSA-N 2 0 349.497 -0.420 20 0 EBADRP CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)C1=O ZINC001187121778 833902622 /nfs/dbraw/zinc/90/26/22/833902622.db2.gz LJHYYTVGRAGCJI-KGLIPLIRSA-N 2 0 326.441 -0.624 20 0 EBADRP CN1CCC[C@@H]([NH2+][C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)C1=O ZINC001187122440 833903986 /nfs/dbraw/zinc/90/39/86/833903986.db2.gz SIUZOZBDVONHHY-ZIAGYGMSSA-N 2 0 326.441 -0.624 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001187306936 833918740 /nfs/dbraw/zinc/91/87/40/833918740.db2.gz RDSSJVZRVJJEBY-CYBMUJFWSA-N 2 0 339.440 -0.539 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001188158412 834017531 /nfs/dbraw/zinc/01/75/31/834017531.db2.gz NPUAYCOTOGLWGH-CQSZACIVSA-N 2 0 348.513 -0.154 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001188158678 834017952 /nfs/dbraw/zinc/01/79/52/834017952.db2.gz UHEWPWNSSPFKLL-CABCVRRESA-N 2 0 340.468 -0.500 20 0 EBADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820088 834194870 /nfs/dbraw/zinc/19/48/70/834194870.db2.gz OSUUOZNKGFYFBC-BFHYXJOUSA-N 2 0 326.441 -0.639 20 0 EBADRP C[N@H+](CCOCCO)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190221525 834246047 /nfs/dbraw/zinc/24/60/47/834246047.db2.gz DDIKZINZVVTVCU-HZPDHXFCSA-N 2 0 325.453 -0.130 20 0 EBADRP CO[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374416 837759440 /nfs/dbraw/zinc/75/94/40/837759440.db2.gz FWISEQFLOSPVQE-ARFHVFGLSA-N 2 0 345.484 -0.213 20 0 EBADRP CO[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378133 837761102 /nfs/dbraw/zinc/76/11/02/837761102.db2.gz FJPGTZNGVLLBLA-RBSFLKMASA-N 2 0 340.468 -0.330 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001213399742 837764829 /nfs/dbraw/zinc/76/48/29/837764829.db2.gz JDTNQBURCAYISQ-GBJTYRQASA-N 2 0 331.457 -0.605 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001213442927 837775553 /nfs/dbraw/zinc/77/55/53/837775553.db2.gz ZOFJBLLYMYXVOC-RRFJBIMHSA-N 2 0 343.468 -0.459 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192152754 834618582 /nfs/dbraw/zinc/61/85/82/834618582.db2.gz IWLBSKHOQYPGDM-NEPJUHHUSA-N 2 0 327.429 -0.685 20 0 EBADRP CCS(=O)(=O)NCCC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192162820 834619894 /nfs/dbraw/zinc/61/98/94/834619894.db2.gz RSTPYHSASVYNHO-AWEZNQCLSA-N 2 0 348.513 -0.200 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@H]([N@H+](C)C[C@H](O)COCCOC)C1 ZINC001192970864 834773444 /nfs/dbraw/zinc/77/34/44/834773444.db2.gz ZLSPOLRIAFIYIO-HOTGVXAUSA-N 2 0 345.484 -0.115 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)C[C@H](O)COCCOC)C1 ZINC001193291322 834827377 /nfs/dbraw/zinc/82/73/77/834827377.db2.gz IAMOSFFOLIGKLY-CVEARBPZSA-N 2 0 345.484 -0.115 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)[C@H](C)C(=O)NC(=O)NC)C1 ZINC001193643346 834922024 /nfs/dbraw/zinc/92/20/24/834922024.db2.gz SQZUPTYSMGXXCS-OLZOCXBDSA-N 2 0 341.456 -0.295 20 0 EBADRP Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCC[NH+]3C)C2)cn1 ZINC001193892281 834962693 /nfs/dbraw/zinc/96/26/93/834962693.db2.gz IAIRAXNRGSEUJO-BRWVUGGUSA-N 2 0 349.479 -0.002 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@H]1O ZINC001193892535 834964270 /nfs/dbraw/zinc/96/42/70/834964270.db2.gz RIVXWCZLLJWBQQ-ARFHVFGLSA-N 2 0 335.452 -0.081 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195006274 835175553 /nfs/dbraw/zinc/17/55/53/835175553.db2.gz FAUGQCFJHQQJCG-RRFJBIMHSA-N 2 0 343.468 -0.581 20 0 EBADRP Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677450 835271696 /nfs/dbraw/zinc/27/16/96/835271696.db2.gz QJQMFWKEZPNDED-HUUCEWRRSA-N 2 0 335.452 -0.534 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1CN(CCN2CCCC2=O)C[C@H]1O ZINC001195707945 835275420 /nfs/dbraw/zinc/27/54/20/835275420.db2.gz BFEYTQLIGFTFMJ-ZIAGYGMSSA-N 2 0 326.441 -0.888 20 0 EBADRP CCCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708350 835276389 /nfs/dbraw/zinc/27/63/89/835276389.db2.gz LQAFZZUBCFYWJR-BFHYXJOUSA-N 2 0 328.457 -0.596 20 0 EBADRP C[NH+](C)CCC(=O)N1CCCN(CC(=O)NC[C@H]2CCOC2)CC1 ZINC001197048212 835498570 /nfs/dbraw/zinc/49/85/70/835498570.db2.gz ANBCTUXBRDRMTE-OAHLLOKOSA-N 2 0 340.468 -0.375 20 0 EBADRP C[C@@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319644 835536649 /nfs/dbraw/zinc/53/66/49/835536649.db2.gz MYUQSABTKVEHEN-FVQBIDKESA-N 2 0 343.468 -0.581 20 0 EBADRP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C2)cn1 ZINC001197536180 835572761 /nfs/dbraw/zinc/57/27/61/835572761.db2.gz NPXVFNAVOUSLBK-HZPDHXFCSA-N 2 0 337.468 -0.051 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1O ZINC001197826018 835613986 /nfs/dbraw/zinc/61/39/86/835613986.db2.gz MFCRPXHDKUMTLS-RBSFLKMASA-N 2 0 329.441 -0.705 20 0 EBADRP CN(CCC[NH+](C)C)Cc1ccc(C(=O)N[C@@H](CO)C(N)=O)cc1 ZINC001198037008 835633009 /nfs/dbraw/zinc/63/30/09/835633009.db2.gz RWECAVIAWOPDNJ-HNNXBMFYSA-N 2 0 336.436 -0.354 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COCC(C)C)C[C@H]1O ZINC001198047447 835635162 /nfs/dbraw/zinc/63/51/62/835635162.db2.gz NFKMGDUTGDXZDF-ARFHVFGLSA-N 2 0 345.484 -0.477 20 0 EBADRP CC(=O)NCCOCC[N@@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001198097748 835640106 /nfs/dbraw/zinc/64/01/06/835640106.db2.gz GEZOCUAXEXEXNQ-UHFFFAOYSA-N 2 0 340.468 -0.231 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001199788716 835861112 /nfs/dbraw/zinc/86/11/12/835861112.db2.gz YEPJABMFHFLSEH-ZDUSSCGKSA-N 2 0 339.440 -0.493 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001200116260 835910881 /nfs/dbraw/zinc/91/08/81/835910881.db2.gz VGXCSJTVBLFPQU-UONOGXRCSA-N 2 0 347.481 -0.668 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200123288 835913761 /nfs/dbraw/zinc/91/37/61/835913761.db2.gz MHMAYCWEZCLBSY-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001200636757 836000391 /nfs/dbraw/zinc/00/03/91/836000391.db2.gz NNHBJIBAIUPSDC-DGCLKSJQSA-N 2 0 339.440 -0.637 20 0 EBADRP CN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001200658499 836010057 /nfs/dbraw/zinc/01/00/57/836010057.db2.gz OPUPPVXIWCBISG-GJZGRUSLSA-N 2 0 338.452 -0.482 20 0 EBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001200687441 836015486 /nfs/dbraw/zinc/01/54/86/836015486.db2.gz BEIKONNQMZQQLZ-GJZGRUSLSA-N 2 0 340.468 -0.343 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCCO1 ZINC001200688683 836016820 /nfs/dbraw/zinc/01/68/20/836016820.db2.gz TYKHIRXZRSKCPK-ZIAGYGMSSA-N 2 0 340.468 -0.188 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCCO1 ZINC001200688786 836017065 /nfs/dbraw/zinc/01/70/65/836017065.db2.gz VZIOVJDPCUTJOJ-HUUCEWRRSA-N 2 0 343.468 -0.315 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CCCO[C@H](C[NH2+]CCOCCO)C1)C1CC1 ZINC001200688628 836017400 /nfs/dbraw/zinc/01/74/00/836017400.db2.gz SNXNNKFILXILCX-CVEARBPZSA-N 2 0 343.468 -0.457 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CCOCCO)C1 ZINC001200808120 836039195 /nfs/dbraw/zinc/03/91/95/836039195.db2.gz YSENPEKRSOGOQT-HZPDHXFCSA-N 2 0 343.468 -0.313 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CCCO[C@H](C[NH2+]C[C@@H](O)COC)C1 ZINC001200852139 836048531 /nfs/dbraw/zinc/04/85/31/836048531.db2.gz WANGZHYUMFYUKN-HUUCEWRRSA-N 2 0 345.484 -0.069 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCCO1 ZINC001200887675 836060468 /nfs/dbraw/zinc/06/04/68/836060468.db2.gz OTHIDSORCYGNTP-AWEZNQCLSA-N 2 0 338.452 -0.432 20 0 EBADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCCO1)C(N)=O ZINC001200887136 836060685 /nfs/dbraw/zinc/06/06/85/836060685.db2.gz IDXYOVNDBBIAFU-UONOGXRCSA-N 2 0 338.452 -0.304 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001201052911 836086755 /nfs/dbraw/zinc/08/67/55/836086755.db2.gz IFFNLURBZUACAE-AWEZNQCLSA-N 2 0 339.440 -0.637 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1 ZINC001201260600 836119126 /nfs/dbraw/zinc/11/91/26/836119126.db2.gz JHKARDLRBYUGRV-CABCVRRESA-N 2 0 343.468 -0.457 20 0 EBADRP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1)C(=O)NC(N)=O ZINC001201267975 836119831 /nfs/dbraw/zinc/11/98/31/836119831.db2.gz UMRKPBFNHVEBGG-WCQYABFASA-N 2 0 339.440 -0.365 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201277617 836121875 /nfs/dbraw/zinc/12/18/75/836121875.db2.gz VVNLCNOSWNBGBD-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CCC[NH+](C)C)CCCO2)C1=O ZINC001201277456 836122356 /nfs/dbraw/zinc/12/23/56/836122356.db2.gz SRNIUWRUMBDALJ-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CC[NH+](C)C)CCCO2)C1=O ZINC001201334997 836130757 /nfs/dbraw/zinc/13/07/57/836130757.db2.gz MDCAWQCTCSSTQE-ZIAGYGMSSA-N 2 0 326.441 -0.624 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201336705 836130862 /nfs/dbraw/zinc/13/08/62/836130862.db2.gz YCLULNNQHLKXTQ-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP C[NH+](C)CCC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001201335335 836131072 /nfs/dbraw/zinc/13/10/72/836131072.db2.gz NCUMQKMMIUKJKQ-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP CC[C@H](C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1)[NH+](CC)CC ZINC001201389840 836137840 /nfs/dbraw/zinc/13/78/40/836137840.db2.gz NCVUNVVZPYNXOS-ZIAGYGMSSA-N 2 0 328.457 -0.201 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001201560155 836160462 /nfs/dbraw/zinc/16/04/62/836160462.db2.gz YTXVMQMAMKFIFG-CABCVRRESA-N 2 0 340.468 -0.058 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CCCO[C@H](C[NH2+]CCO)C2)cn1 ZINC001201613310 836167846 /nfs/dbraw/zinc/16/78/46/836167846.db2.gz ZXNXRELOGVPDBC-OAHLLOKOSA-N 2 0 339.440 -0.742 20 0 EBADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCCO1)C(N)=O ZINC001201713798 836181547 /nfs/dbraw/zinc/18/15/47/836181547.db2.gz ZOFUBQUJSYAQAR-LSDHHAIUSA-N 2 0 340.468 -0.201 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCCO[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001201801440 836194621 /nfs/dbraw/zinc/19/46/21/836194621.db2.gz YHMNBFCRIRQSFL-OAHLLOKOSA-N 2 0 338.456 -0.136 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001201811090 836196409 /nfs/dbraw/zinc/19/64/09/836196409.db2.gz VOUXCSCGGYQMRR-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP O=C(N1CCCO[C@@H](C[NH2+]CCOCCO)C1)C12CC[NH+](CC1)C2 ZINC001201870845 836209019 /nfs/dbraw/zinc/20/90/19/836209019.db2.gz CFAWTXGQZOANFM-HNNXBMFYSA-N 2 0 341.452 -0.702 20 0 EBADRP CC[C@H]([NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1)C(N)=O ZINC001202057180 836243062 /nfs/dbraw/zinc/24/30/62/836243062.db2.gz DRJOQXVHLASLAO-KGLIPLIRSA-N 2 0 326.441 -0.447 20 0 EBADRP CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1)C(N)=O ZINC001202057182 836243426 /nfs/dbraw/zinc/24/34/26/836243426.db2.gz DRJOQXVHLASLAO-ZIAGYGMSSA-N 2 0 326.441 -0.447 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202060244 836247117 /nfs/dbraw/zinc/24/71/17/836247117.db2.gz VYJBMQYUOJBKCB-KBPBESRZSA-N 2 0 326.441 -0.767 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001202148263 836263104 /nfs/dbraw/zinc/26/31/04/836263104.db2.gz SRQGCRVFHUKITL-HOCLYGCPSA-N 2 0 340.468 -0.201 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001202163840 836267135 /nfs/dbraw/zinc/26/71/35/836267135.db2.gz IQYCKKZNQJOPPN-CABCVRRESA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)CC1 ZINC001202224938 836278694 /nfs/dbraw/zinc/27/86/94/836278694.db2.gz NEEBTDOWTCCUHO-UHFFFAOYSA-N 2 0 325.413 -0.896 20 0 EBADRP COC[C@H](C)OC[C@@H](O)C[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202316277 836291396 /nfs/dbraw/zinc/29/13/96/836291396.db2.gz UEIILFWXHCDTEG-HOCLYGCPSA-N 2 0 345.484 -0.069 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]C2CCN(C(=O)CC[NH+](C)C)CC2)CCO1 ZINC001202330246 836292583 /nfs/dbraw/zinc/29/25/83/836292583.db2.gz FANCNRAWGKXGLN-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001202504589 836308641 /nfs/dbraw/zinc/30/86/41/836308641.db2.gz USDIAGWUWCDMEM-YPMHNXCESA-N 2 0 339.440 -0.780 20 0 EBADRP CC[C@@H](C(=O)N1CCC([NH2+][C@H](C)C(=O)NC(N)=O)CC1)[NH+](C)C ZINC001202532477 836312803 /nfs/dbraw/zinc/31/28/03/836312803.db2.gz YPKJNYMZVJWBLA-PWSUYJOCSA-N 2 0 327.429 -0.509 20 0 EBADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](C[C@@H]3CCC(=O)N3)CC[C@@H]2C1 ZINC001202831322 836357465 /nfs/dbraw/zinc/35/74/65/836357465.db2.gz LGNMIVYUBIOWJG-QLFBSQMISA-N 2 0 338.452 -0.624 20 0 EBADRP CNC(=O)C[NH2+]C1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001202872784 836364427 /nfs/dbraw/zinc/36/44/27/836364427.db2.gz PTBIJCZFXYSJDY-UHFFFAOYSA-N 2 0 336.440 -0.615 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001203009979 836384540 /nfs/dbraw/zinc/38/45/40/836384540.db2.gz DHMCZVVXXANDOV-UHFFFAOYSA-N 2 0 339.440 -0.539 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC([NH2+][C@H](C)C(=O)NC(=O)NC)CC1 ZINC001203460085 836433631 /nfs/dbraw/zinc/43/36/31/836433631.db2.gz MRYZRBRRETYAOC-GFCCVEGCSA-N 2 0 341.456 -0.247 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203652208 836458058 /nfs/dbraw/zinc/45/80/58/836458058.db2.gz SGAMXCYQRTVSED-RYUDHWBXSA-N 2 0 339.440 -0.460 20 0 EBADRP COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001203709132 836465038 /nfs/dbraw/zinc/46/50/38/836465038.db2.gz LPASRJPWSWSJEG-ZBFHGGJFSA-N 2 0 343.468 -0.457 20 0 EBADRP O=C(Cn1ccnc1)N1CCC([NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC001204092452 836498607 /nfs/dbraw/zinc/49/86/07/836498607.db2.gz JESFJYKOYQMLAY-OAHLLOKOSA-N 2 0 332.408 -0.279 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]CC(=O)NC(N)=O)CC2)CC[N@@H+]1C ZINC001205334993 836558820 /nfs/dbraw/zinc/55/88/20/836558820.db2.gz VEZKOHQYQCYKEN-DGCLKSJQSA-N 2 0 339.440 -0.650 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1)C1CC1 ZINC001205461324 836567954 /nfs/dbraw/zinc/56/79/54/836567954.db2.gz HDTFCVZKJFAZTH-CQSZACIVSA-N 2 0 339.440 -0.650 20 0 EBADRP C[N@H+](CC(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1)C1CCC1 ZINC001205469535 836569284 /nfs/dbraw/zinc/56/92/84/836569284.db2.gz KWAWAODKZBAGRW-UHFFFAOYSA-N 2 0 339.440 -0.506 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001206073586 836621184 /nfs/dbraw/zinc/62/11/84/836621184.db2.gz DNULLGMMJYXNDD-UHFFFAOYSA-N 2 0 327.429 -0.649 20 0 EBADRP CC(C)[C@H](C(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1)[NH+](C)C ZINC001206170215 836628194 /nfs/dbraw/zinc/62/81/94/836628194.db2.gz YRNWTPDDVOYQPH-CQSZACIVSA-N 2 0 341.456 -0.404 20 0 EBADRP CC[C@@H](C(=O)N1CCC(C[NH2+][C@@H](C)C(=O)NC(N)=O)CC1)[NH+](C)C ZINC001206300395 836638624 /nfs/dbraw/zinc/63/86/24/836638624.db2.gz CKFNLVAUKOASQS-AAEUAGOBSA-N 2 0 341.456 -0.262 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC(C[NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001206653967 836666739 /nfs/dbraw/zinc/66/67/39/836666739.db2.gz QDGNHTMPZIGHBU-LBPRGKRZSA-N 2 0 341.456 -0.260 20 0 EBADRP Cn1nncc1C[NH2+]CC1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001206873883 836685709 /nfs/dbraw/zinc/68/57/09/836685709.db2.gz ULMWCDKYLSQWAX-UHFFFAOYSA-N 2 0 338.456 -0.279 20 0 EBADRP CC(C)NC(=O)C[NH2+]CC1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001206873720 836686289 /nfs/dbraw/zinc/68/62/89/836686289.db2.gz LBMGOMVZDDWVOU-UHFFFAOYSA-N 2 0 342.484 -0.083 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC(C[NH2+]CC(=O)NC(=O)NC)CC1 ZINC001206890323 836694214 /nfs/dbraw/zinc/69/42/14/836694214.db2.gz LQKSSKULEGRGFV-UHFFFAOYSA-N 2 0 341.456 -0.388 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+]CCS(C)(=O)=O)CC2)C1 ZINC001206927738 836714377 /nfs/dbraw/zinc/71/43/77/836714377.db2.gz NJQPBWYNPJVCOQ-CQSZACIVSA-N 2 0 331.482 -0.189 20 0 EBADRP C[C@@H]([NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1)C(=O)NC(N)=O ZINC001206929234 836716321 /nfs/dbraw/zinc/71/63/21/836716321.db2.gz ZXBLUIWISYGWGA-YPMHNXCESA-N 2 0 339.440 -0.650 20 0 EBADRP CN(CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)S(C)(=O)=O ZINC001207688445 836845286 /nfs/dbraw/zinc/84/52/86/836845286.db2.gz PHVHZMXKASSZBS-UONOGXRCSA-N 2 0 346.497 -0.447 20 0 EBADRP CS(=O)(=O)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001208055767 836937690 /nfs/dbraw/zinc/93/76/90/836937690.db2.gz FJJPQFJHFAEYQP-HUUCEWRRSA-N 2 0 343.493 -0.047 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CCNS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001208071156 836941105 /nfs/dbraw/zinc/94/11/05/836941105.db2.gz WRFZXORBRYJTNV-HZSPNIEDSA-N 2 0 346.497 -0.544 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001208328578 836997736 /nfs/dbraw/zinc/99/77/36/836997736.db2.gz FZGYBDMPTQLYAB-GFCCVEGCSA-N 2 0 339.440 -0.493 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001208374004 837012957 /nfs/dbraw/zinc/01/29/57/837012957.db2.gz UGMDZUIFCBQNDV-JSGCOSHPSA-N 2 0 341.456 -0.391 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCNS(=O)(=O)CC)C1)[NH+](C)C ZINC001208414638 837026931 /nfs/dbraw/zinc/02/69/31/837026931.db2.gz UOTLUPYOUBKEOE-UONOGXRCSA-N 2 0 348.513 -0.154 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208423928 837030045 /nfs/dbraw/zinc/03/00/45/837030045.db2.gz RDGOSQPSWNFNQZ-NEPJUHHUSA-N 2 0 325.413 -0.754 20 0 EBADRP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001208638589 837094985 /nfs/dbraw/zinc/09/49/85/837094985.db2.gz JCXOIIFAEFURRG-CWVKQELPSA-N 2 0 336.436 -0.824 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001209453521 837167828 /nfs/dbraw/zinc/16/78/28/837167828.db2.gz AFGREDKSGDKMJP-CYBMUJFWSA-N 2 0 339.440 -0.539 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001209455614 837168213 /nfs/dbraw/zinc/16/82/13/837168213.db2.gz VTPMZFBWJXNJEQ-ZIAGYGMSSA-N 2 0 331.482 -0.047 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001209633157 837183917 /nfs/dbraw/zinc/18/39/17/837183917.db2.gz SEJJAEISHWZVRJ-CHWSQXEVSA-N 2 0 339.440 -0.493 20 0 EBADRP CCn1nncc1C[NH2+][C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210678968 837317714 /nfs/dbraw/zinc/31/77/14/837317714.db2.gz ZBWNYTTUMREMII-AWEZNQCLSA-N 2 0 338.456 -0.043 20 0 EBADRP CCN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210676670 837319042 /nfs/dbraw/zinc/31/90/42/837319042.db2.gz HHSGZOYGSFAMFJ-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001210743617 837328041 /nfs/dbraw/zinc/32/80/41/837328041.db2.gz JYDCDWSAJLTPQX-CQSZACIVSA-N 2 0 348.513 -0.152 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001210796149 837331521 /nfs/dbraw/zinc/33/15/21/837331521.db2.gz DCZWHPFERXLPKB-CQSZACIVSA-N 2 0 348.513 -0.152 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001210811317 837332529 /nfs/dbraw/zinc/33/25/29/837332529.db2.gz LMDGZQFGMIFKKZ-ZDUSSCGKSA-N 2 0 334.486 -0.542 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001210810669 837333220 /nfs/dbraw/zinc/33/32/20/837333220.db2.gz CCXBHWPRMADGGZ-CYBMUJFWSA-N 2 0 339.440 -0.539 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211080090 837381689 /nfs/dbraw/zinc/38/16/89/837381689.db2.gz AFESXRMUEDLKMS-OAHLLOKOSA-N 2 0 340.468 -0.185 20 0 EBADRP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1)OC ZINC001213730234 837853713 /nfs/dbraw/zinc/85/37/13/837853713.db2.gz JQNMPLPLXXENLC-RRFJBIMHSA-N 2 0 331.457 -0.195 20 0 EBADRP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1)OC ZINC001213730233 837854327 /nfs/dbraw/zinc/85/43/27/837854327.db2.gz JQNMPLPLXXENLC-RBSFLKMASA-N 2 0 331.457 -0.195 20 0 EBADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(CC)CCO2)[C@H](OC)C1 ZINC001213892609 837895243 /nfs/dbraw/zinc/89/52/43/837895243.db2.gz MAUXUOXKSSUUKV-BZUAXINKSA-N 2 0 343.468 -0.051 20 0 EBADRP CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCNS(C)(=O)=O)CC1)[NH+](C)C ZINC001318979083 838056075 /nfs/dbraw/zinc/05/60/75/838056075.db2.gz MGVIYXHLKBBHDO-MGPQQGTHSA-N 2 0 348.513 -0.107 20 0 EBADRP CC(=O)NCCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001319130030 838077137 /nfs/dbraw/zinc/07/71/37/838077137.db2.gz OMUOMEJKOXNMRO-JKSUJKDBSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC2CC[NH+](C)CC2)n1 ZINC001319560183 838149920 /nfs/dbraw/zinc/14/99/20/838149920.db2.gz XQISDIVQKJNLIL-UHFFFAOYSA-N 2 0 336.440 -0.159 20 0 EBADRP CC(C)[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCN1C(=O)CCC1=O ZINC001319958732 838199850 /nfs/dbraw/zinc/19/98/50/838199850.db2.gz WWUANRNMTFNPLC-AWEZNQCLSA-N 2 0 338.452 -0.038 20 0 EBADRP CC1CC[NH+](CC(=O)NC[C@H](O)C[NH2+]CCc2cnn(C)c2)CC1 ZINC001320291918 838746832 /nfs/dbraw/zinc/74/68/32/838746832.db2.gz GWVOCUOPRVKQPI-MRXNPFEDSA-N 2 0 337.468 -0.239 20 0 EBADRP Cc1cc(C)n(CC[NH2+]C[C@H](O)CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001320294644 838747783 /nfs/dbraw/zinc/74/77/83/838747783.db2.gz DQTDHIDCNFXPAH-CVEARBPZSA-N 2 0 337.468 -0.092 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001320996771 838878416 /nfs/dbraw/zinc/87/84/16/838878416.db2.gz FOPAHRDHEIOXNZ-AAAGKOELSA-N 2 0 339.440 -0.423 20 0 EBADRP CS(=O)(=O)CC[NH2+]C/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001321063913 838895003 /nfs/dbraw/zinc/89/50/03/838895003.db2.gz JLYPXHNCRRTVGU-HSWBROFVSA-N 2 0 329.466 -0.365 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NC(N)=O ZINC001321137502 838919994 /nfs/dbraw/zinc/91/99/94/838919994.db2.gz SGPWWFHCIAUBDA-OOPCZODUSA-N 2 0 339.440 -0.436 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCN1C(=O)CNC1=O ZINC001321756245 839069050 /nfs/dbraw/zinc/06/90/50/839069050.db2.gz KZFXQJTVEDGQFP-CHWSQXEVSA-N 2 0 339.440 -0.493 20 0 EBADRP C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001321959521 839112264 /nfs/dbraw/zinc/11/22/64/839112264.db2.gz ZIDVFDBAKZDTRV-AVGNSLFASA-N 2 0 339.440 -0.637 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C2CC2)CC1 ZINC001323063455 839339301 /nfs/dbraw/zinc/33/93/01/839339301.db2.gz FCRTYVCLYQQHSF-KBPBESRZSA-N 2 0 336.436 -0.382 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@]3(CC[NH+](CCOCCO)C3)C2)C1 ZINC001323871676 839547968 /nfs/dbraw/zinc/54/79/68/839547968.db2.gz FBPIIDXIPDPITN-DOTOQJQBSA-N 2 0 325.453 -0.129 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CSC1(C)C ZINC001324882482 839730608 /nfs/dbraw/zinc/73/06/08/839730608.db2.gz JQUNRCUCNQDSFL-GFCCVEGCSA-N 2 0 330.498 -0.052 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](CCO)C1 ZINC001325201752 839817107 /nfs/dbraw/zinc/81/71/07/839817107.db2.gz QMHUHSWGOAYYNU-HNNXBMFYSA-N 2 0 342.484 -0.441 20 0 EBADRP C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001325495075 839877268 /nfs/dbraw/zinc/87/72/68/839877268.db2.gz RUBNVEQKYZHBIV-INIZCTEOSA-N 2 0 344.375 -0.611 20 0 EBADRP Cc1nnsc1C[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001325990375 839995518 /nfs/dbraw/zinc/99/55/18/839995518.db2.gz QDCUCIYBZYBHAU-GFCCVEGCSA-N 2 0 327.454 -0.149 20 0 EBADRP C[C@H](CNC(=O)c1cn(CCCC[NH3+])nn1)C[NH+]1CCN(C)CC1 ZINC001326340420 840088476 /nfs/dbraw/zinc/08/84/76/840088476.db2.gz JTKIMUDSTVHMRD-CQSZACIVSA-N 2 0 337.472 -0.370 20 0 EBADRP [NH3+]CCCCn1cc(C(=O)N2CC[NH+](C3CCOCC3)CC2)nn1 ZINC001326341887 840089249 /nfs/dbraw/zinc/08/92/49/840089249.db2.gz ZIXVVVJGEIEJLH-UHFFFAOYSA-N 2 0 336.440 -0.046 20 0 EBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001326546394 840131947 /nfs/dbraw/zinc/13/19/47/840131947.db2.gz FFDIDEOHLPWPTG-ZIAGYGMSSA-N 2 0 327.473 -0.628 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001326551630 840134633 /nfs/dbraw/zinc/13/46/33/840134633.db2.gz SWUIELUSDOTQJW-YOEHRIQHSA-N 2 0 340.468 -0.342 20 0 EBADRP C[NH2+]Cc1ccccc1CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001326590118 840142988 /nfs/dbraw/zinc/14/29/88/840142988.db2.gz ICVWSUKPEJWGFA-INIZCTEOSA-N 2 0 347.463 -0.616 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)C[NH+]1CCN(C)CC1 ZINC001326600819 840147134 /nfs/dbraw/zinc/14/71/34/840147134.db2.gz DUPPSAAIFYOFAP-AWEZNQCLSA-N 2 0 339.484 -0.769 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001326990679 840263314 /nfs/dbraw/zinc/26/33/14/840263314.db2.gz NMXUIFZPTQDFIB-LSDHHAIUSA-N 2 0 336.440 -0.421 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@](CO)([NH2+]CCOCCO)C2)C1 ZINC001327603025 840470613 /nfs/dbraw/zinc/47/06/13/840470613.db2.gz JZMGUXJPSVONFN-RDJZCZTQSA-N 2 0 343.468 -0.720 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2COC[C@]2(C)C1 ZINC001327669896 840490194 /nfs/dbraw/zinc/49/01/94/840490194.db2.gz AIBDQFYAHOZPNI-PBHICJAKSA-N 2 0 340.468 -0.567 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=S)NC1CC[NH+](C)CC1 ZINC001327890545 840541922 /nfs/dbraw/zinc/54/19/22/840541922.db2.gz XHNDFMOMQVSIPC-UHFFFAOYSA-N 2 0 329.514 -0.093 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CCC(O)(C[NH2+]CCF)CC2)cn1 ZINC001328206067 840619653 /nfs/dbraw/zinc/61/96/53/840619653.db2.gz SAMRUXZWASNBEC-UHFFFAOYSA-N 2 0 341.431 -0.029 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CC(=O)N2CC[NH2+]CC2)CC1 ZINC001328606955 840714571 /nfs/dbraw/zinc/71/45/71/840714571.db2.gz SRTSETGIVFDKKG-CALCHBBNSA-N 2 0 337.512 -0.091 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC001329611295 840964589 /nfs/dbraw/zinc/96/45/89/840964589.db2.gz ADSAZXITTDSGGP-KKUMJFAQSA-N 2 0 339.484 -0.724 20 0 EBADRP C[C@@H](CCC[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001330834414 841279226 /nfs/dbraw/zinc/27/92/26/841279226.db2.gz CEKFCQBEVBCYCV-RYUDHWBXSA-N 2 0 341.456 -0.071 20 0 EBADRP CO[C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001331056141 841324452 /nfs/dbraw/zinc/32/44/52/841324452.db2.gz ISVHGJPCBYAZPC-CQSZACIVSA-N 2 0 328.457 -0.424 20 0 EBADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC[NH3+] ZINC001331155499 841358203 /nfs/dbraw/zinc/35/82/03/841358203.db2.gz PDZJLBDGIOTTRM-QGZVFWFLSA-N 2 0 334.420 -0.843 20 0 EBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1(C)C ZINC001331169528 841362771 /nfs/dbraw/zinc/36/27/71/841362771.db2.gz WITIRNMRJLEBHJ-KBPBESRZSA-N 2 0 339.484 -0.485 20 0 EBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC001331183939 841366954 /nfs/dbraw/zinc/36/69/54/841366954.db2.gz JCUMKMNVDGIENI-KFWWJZLASA-N 2 0 338.452 -0.589 20 0 EBADRP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCN1C(=O)CNC1=O ZINC001331489480 841415467 /nfs/dbraw/zinc/41/54/67/841415467.db2.gz LROULOHDBNGNQA-CHWSQXEVSA-N 2 0 339.440 -0.541 20 0 EBADRP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCN1C(=O)CNC1=O ZINC001331530257 841422816 /nfs/dbraw/zinc/42/28/16/841422816.db2.gz ACMIUITZJSHGBU-VXGBXAGGSA-N 2 0 325.413 -0.931 20 0 EBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC001331603428 841436877 /nfs/dbraw/zinc/43/68/77/841436877.db2.gz FBALXWQTKBCJPD-VNHYZAJKSA-N 2 0 338.452 -0.401 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]CCCN2CCCC2=O)CC1 ZINC001331774580 841494667 /nfs/dbraw/zinc/49/46/67/841494667.db2.gz NAVLJZDEUPYJDL-HNNXBMFYSA-N 2 0 340.468 -0.593 20 0 EBADRP OCC1(CO)CC[NH+](C/C=C/C[NH+]2CCC(CO)(CO)CC2)CC1 ZINC001331833307 841514415 /nfs/dbraw/zinc/51/44/15/841514415.db2.gz SOHCLDBPIUWMFB-OWOJBTEDSA-N 2 0 342.480 -0.324 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCn1cncn1 ZINC001332608943 841687348 /nfs/dbraw/zinc/68/73/48/841687348.db2.gz ZIKFBTUTHGXEFZ-GJZGRUSLSA-N 2 0 338.456 -0.439 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCC[NH2+]CC2)CC1 ZINC001333531942 841900594 /nfs/dbraw/zinc/90/05/94/841900594.db2.gz HBPWCCINDNIABX-UHFFFAOYSA-N 2 0 325.457 -0.018 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC001333623896 841918299 /nfs/dbraw/zinc/91/82/99/841918299.db2.gz BBOPYJFONKRLBR-ZDUSSCGKSA-N 2 0 327.473 -0.676 20 0 EBADRP COCC[NH2+]CC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001333732092 841934833 /nfs/dbraw/zinc/93/48/33/841934833.db2.gz IDCQBPAOXVKDBQ-HNNXBMFYSA-N 2 0 328.457 -0.865 20 0 EBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001333943005 841972006 /nfs/dbraw/zinc/97/20/06/841972006.db2.gz INBNTYSYHULJBZ-MGPQQGTHSA-N 2 0 338.452 -0.448 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC001333961416 841976518 /nfs/dbraw/zinc/97/65/18/841976518.db2.gz VSXIBKDHOTUPEG-CQSZACIVSA-N 2 0 325.457 -0.920 20 0 EBADRP CN(C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)C1(C[NH3+])CCOCC1 ZINC001335199416 842222538 /nfs/dbraw/zinc/22/25/38/842222538.db2.gz XRPVNZSSTHHFRF-ZDUSSCGKSA-N 2 0 338.452 -0.447 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N(C)CCOCC[NH3+])CC1 ZINC001335202936 842223159 /nfs/dbraw/zinc/22/31/59/842223159.db2.gz SQLPBOVMIUVVQR-UHFFFAOYSA-N 2 0 343.472 -0.406 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCNCC[NH2+]CC2)CC1 ZINC001335465807 842290143 /nfs/dbraw/zinc/29/01/43/842290143.db2.gz MLJCPEAHBOEQQS-MRXNPFEDSA-N 2 0 340.516 -0.536 20 0 EBADRP [NH3+]C1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001335767396 842352442 /nfs/dbraw/zinc/35/24/42/842352442.db2.gz DQYONOBEHZAJTG-HUUCEWRRSA-N 2 0 337.468 -0.731 20 0 EBADRP COC[C@]1(C(=O)NCCCC[NH+]2CCN(C)CC2)C[NH2+]CCO1 ZINC001336721663 842537576 /nfs/dbraw/zinc/53/75/76/842537576.db2.gz NUYCOTRPQACHDM-INIZCTEOSA-N 2 0 328.457 -0.865 20 0 EBADRP C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC001337309677 842599904 /nfs/dbraw/zinc/59/99/04/842599904.db2.gz JTSLLCMGTLYKDV-CQSZACIVSA-N 2 0 338.452 -0.528 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC001337338175 842603601 /nfs/dbraw/zinc/60/36/01/842603601.db2.gz JMEUHENSOMMFNJ-HDJSIYSDSA-N 2 0 340.468 -0.153 20 0 EBADRP CCC[NH+]1CCC(NC(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC001338261881 842772915 /nfs/dbraw/zinc/77/29/15/842772915.db2.gz IRPBZSSLPWRKCI-UHFFFAOYSA-N 2 0 339.484 -0.484 20 0 EBADRP C[NH2+]CCN(C(=O)C(=O)NCCCC[NH+]1CCOCC1)C(C)C ZINC001338279607 842775831 /nfs/dbraw/zinc/77/58/31/842775831.db2.gz LIKAWZAJPUOBQP-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP [NH3+]C1CCN(CC[NH2+]C2CCN(CCN3CCOCC3)CC2)CC1 ZINC001340065020 842967172 /nfs/dbraw/zinc/96/71/72/842967172.db2.gz RVPPXWMXSHNVBG-UHFFFAOYSA-N 2 0 339.528 -0.204 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001340206393 842981338 /nfs/dbraw/zinc/98/13/38/842981338.db2.gz RWNVUTPNDOSJLG-WMLDXEAASA-N 2 0 340.468 -0.450 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc(O)c1 ZINC001340818475 843034068 /nfs/dbraw/zinc/03/40/68/843034068.db2.gz WSHSCQBKHKUIFD-UHFFFAOYSA-N 2 0 336.436 -0.040 20 0 EBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1=O ZINC001341924779 843125816 /nfs/dbraw/zinc/12/58/16/843125816.db2.gz ZJIXDYKGCVSPNO-RRFJBIMHSA-N 2 0 338.452 -0.759 20 0 EBADRP O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)[C@@H]1C[NH2+]CCC1(F)F ZINC001342042580 843135772 /nfs/dbraw/zinc/13/57/72/843135772.db2.gz AFWHRKBWZJVWCN-SGMGOOAPSA-N 2 0 333.379 -0.427 20 0 EBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@@H](CO)C3)C2)CC1 ZINC001342137407 843143442 /nfs/dbraw/zinc/14/34/42/843143442.db2.gz XZMNNAHVMDSHGP-KGLIPLIRSA-N 2 0 338.452 -0.888 20 0 EBADRP C[NH+](C)CC[C@H](N)C(=O)NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001342463055 843163341 /nfs/dbraw/zinc/16/33/41/843163341.db2.gz UQMOFQFJPMLHQU-KRWDZBQOSA-N 2 0 333.480 -0.013 20 0 EBADRP [NH3+][C@@H]1CCc2cc(C(=O)N3CCNCC[NH2+]CC3)ccc2NC1=O ZINC001342623282 843171980 /nfs/dbraw/zinc/17/19/80/843171980.db2.gz RJXCDCJZOJNFJJ-CQSZACIVSA-N 2 0 331.420 -0.466 20 0 EBADRP C[C@]1(C(=O)NCC[NH2+]CCNC(=O)[C@@]2(C)CCC[NH2+]2)CCC[NH2+]1 ZINC001343170163 843203912 /nfs/dbraw/zinc/20/39/12/843203912.db2.gz AHCKBHOKVRLESP-HZPDHXFCSA-N 3 0 325.457 -0.907 20 0 EBADRP CC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC001344843292 843340304 /nfs/dbraw/zinc/34/03/04/843340304.db2.gz QYDKCNXWHCQCAP-UHFFFAOYSA-N 2 0 340.468 -0.186 20 0 EBADRP CCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)CC1 ZINC001344866833 843340734 /nfs/dbraw/zinc/34/07/34/843340734.db2.gz HTKPNQICMQSVMW-ZFWWWQNUSA-N 2 0 340.468 -0.188 20 0 EBADRP CN1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC[N@H+](C)CC1 ZINC001345454039 843397332 /nfs/dbraw/zinc/39/73/32/843397332.db2.gz PSFGZVIEAUUMPM-UHFFFAOYSA-N 2 0 334.468 -0.332 20 0 EBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)CCC[NH+](C)CCN(C)C ZINC001346983021 843575406 /nfs/dbraw/zinc/57/54/06/843575406.db2.gz AEYVKMNIDAPRGB-HOTGVXAUSA-N 2 0 325.501 -0.283 20 0 EBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C1 ZINC001347150262 843595616 /nfs/dbraw/zinc/59/56/16/843595616.db2.gz VPRBOKOGSGKFHB-OLZOCXBDSA-N 2 0 348.451 -0.196 20 0 EBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001347190248 843598407 /nfs/dbraw/zinc/59/84/07/843598407.db2.gz NPQUNRSXQKXNKJ-WBVHZDCISA-N 2 0 335.496 -0.387 20 0 EBADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC001348334460 843684515 /nfs/dbraw/zinc/68/45/15/843684515.db2.gz YHUYRJAXUCQOQR-ZDUSSCGKSA-N 2 0 326.441 -0.541 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)N[C@H](C)[C@@H]1C[NH+](C)CCN1C ZINC001348463230 843700492 /nfs/dbraw/zinc/70/04/92/843700492.db2.gz RKIRJNSLQJHSKZ-CABCVRRESA-N 2 0 329.489 -0.112 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H](CC[NH3+])C(F)F)cn1 ZINC001349622798 843922603 /nfs/dbraw/zinc/92/26/03/843922603.db2.gz GLSGMTGSDYHGAR-JTQLQIEISA-N 2 0 332.355 -0.518 20 0 EBADRP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574711743 949553122 /nfs/dbraw/zinc/55/31/22/949553122.db2.gz LBLSSQXVTFDMLE-RYUDHWBXSA-N 2 0 344.423 -0.106 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001691135176 1125836452 /nfs/dbraw/zinc/83/64/52/1125836452.db2.gz HUDPWCCKFLJSBV-MGPQQGTHSA-N 2 0 331.482 0.000 20 0 EBADRP C[N@H+](CC(=O)NC[C@@H]1CC[NH+]([C@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC001691146318 1125837396 /nfs/dbraw/zinc/83/73/96/1125837396.db2.gz SBFOMNBPYPVVFS-JSGCOSHPSA-N 2 0 336.436 -0.286 20 0 EBADRP C[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)CCN1C(=O)CNC1=O ZINC001480899045 1125845008 /nfs/dbraw/zinc/84/50/08/1125845008.db2.gz YLMPWJZDXPASNV-UHFFFAOYSA-N 2 0 339.440 -0.539 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001691364966 1125854130 /nfs/dbraw/zinc/85/41/30/1125854130.db2.gz LJCBJVBSGXEMFG-GFCCVEGCSA-N 2 0 327.429 -0.636 20 0 EBADRP CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)COC1CC[NH+](C)CC1 ZINC001408574159 1125869351 /nfs/dbraw/zinc/86/93/51/1125869351.db2.gz FOAKEKPYKBNIQZ-AWEZNQCLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)N1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001481066435 1125916504 /nfs/dbraw/zinc/91/65/04/1125916504.db2.gz USFSRPXGIIMJOG-NWDGAFQWSA-N 2 0 337.424 -0.754 20 0 EBADRP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)CCn2ccnc2)C1 ZINC001481102440 1125922626 /nfs/dbraw/zinc/92/26/26/1125922626.db2.gz LTIMYGVMFZTKCD-GFCCVEGCSA-N 2 0 336.396 -0.833 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](CNC(=O)Cn2ccnc2)C1 ZINC001481125490 1125927944 /nfs/dbraw/zinc/92/79/44/1125927944.db2.gz FSEDPAQOBPJYSE-NWDGAFQWSA-N 2 0 336.396 -0.835 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)Cn2ccnc2)C1 ZINC001481125492 1125928072 /nfs/dbraw/zinc/92/80/72/1125928072.db2.gz FSEDPAQOBPJYSE-VXGBXAGGSA-N 2 0 336.396 -0.835 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001481215209 1125945144 /nfs/dbraw/zinc/94/51/44/1125945144.db2.gz HCIKVWBVUJXJTF-KBPBESRZSA-N 2 0 326.441 -0.624 20 0 EBADRP CN(CCNCc1nnc2n1CCOC2)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001481230986 1125948381 /nfs/dbraw/zinc/94/83/81/1125948381.db2.gz LFTNJDLTPNXWMV-CQSZACIVSA-N 2 0 348.451 -0.302 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001481239129 1125949933 /nfs/dbraw/zinc/94/99/33/1125949933.db2.gz LINKODODKYPJOE-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001481279903 1125963108 /nfs/dbraw/zinc/96/31/08/1125963108.db2.gz OZWHEEUDJPYWGR-UHFFFAOYSA-N 2 0 342.484 -0.129 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001481286812 1125966087 /nfs/dbraw/zinc/96/60/87/1125966087.db2.gz BZFGRVHTEHHKOQ-QWHCGFSZSA-N 2 0 341.456 -0.119 20 0 EBADRP CC(C)NC(=O)NCCN1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001481615048 1126023427 /nfs/dbraw/zinc/02/34/27/1126023427.db2.gz LJWQHRXNEKZDIQ-AWEZNQCLSA-N 2 0 325.457 -0.164 20 0 EBADRP COCCOC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001481705213 1126043017 /nfs/dbraw/zinc/04/30/17/1126043017.db2.gz JGQOVIIBJPAWIG-HZPDHXFCSA-N 2 0 343.468 -0.457 20 0 EBADRP CCN(C(=O)CC[NH+](C)C)[C@@H]1CCN(CCNS(C)(=O)=O)C1 ZINC001481773918 1126055374 /nfs/dbraw/zinc/05/53/74/1126055374.db2.gz FWNWWLPZRKRQOO-CYBMUJFWSA-N 2 0 334.486 -0.590 20 0 EBADRP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001481879478 1126064612 /nfs/dbraw/zinc/06/46/12/1126064612.db2.gz STJRBQVZBCQWTE-LBPRGKRZSA-N 2 0 339.440 -0.445 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C2CC2)nc1=O ZINC001481946491 1126068958 /nfs/dbraw/zinc/06/89/58/1126068958.db2.gz NBHMRQOUDWDPFS-MRXNPFEDSA-N 2 0 348.451 -0.421 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC2CC[NH+](CC(=O)NC(N)=O)CC2)C1 ZINC001482051996 1126074089 /nfs/dbraw/zinc/07/40/89/1126074089.db2.gz WKBSZJKDUNPMOO-CYBMUJFWSA-N 2 0 339.440 -0.649 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001482051964 1126074146 /nfs/dbraw/zinc/07/41/46/1126074146.db2.gz VIGINRFPPWIBOG-UHFFFAOYSA-N 2 0 341.456 -0.260 20 0 EBADRP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001482100513 1126077467 /nfs/dbraw/zinc/07/74/67/1126077467.db2.gz FEYZYVHNKQDRMQ-OLZOCXBDSA-N 2 0 338.456 -0.177 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482365578 1126139452 /nfs/dbraw/zinc/13/94/52/1126139452.db2.gz WSYPMJAVAYIKBK-QWHCGFSZSA-N 2 0 334.486 -0.686 20 0 EBADRP C[NH+](C)CCC(=O)N1CC(NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001409071122 1126175419 /nfs/dbraw/zinc/17/54/19/1126175419.db2.gz HRVMPCDYIROCKS-UHFFFAOYSA-N 2 0 340.468 -0.377 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001482532792 1126191822 /nfs/dbraw/zinc/19/18/22/1126191822.db2.gz IJHVNIDQIPPXHE-LBPRGKRZSA-N 2 0 341.456 -0.343 20 0 EBADRP COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cn1 ZINC001482728161 1126268141 /nfs/dbraw/zinc/26/81/41/1126268141.db2.gz FKTDTYPJFDMTNL-JKSUJKDBSA-N 2 0 348.447 -0.001 20 0 EBADRP CC(C)(C(=O)NC[C@H](O)C[NH2+][C@H]1CCCNC1=O)[NH+]1CCCCC1 ZINC001482727862 1126268226 /nfs/dbraw/zinc/26/82/26/1126268226.db2.gz CZRRTYHVPLFQCU-KGLIPLIRSA-N 2 0 340.468 -0.404 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001358623734 1131234563 /nfs/dbraw/zinc/23/45/63/1131234563.db2.gz KOBFGJPVVQKNLR-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP Cc1c(C(=O)NC[C@@H](O)C[NH2+][C@@H]2CCN(C)C2=O)ccc2c[nH+]cn21 ZINC001482745736 1126275962 /nfs/dbraw/zinc/27/59/62/1126275962.db2.gz WBGPDCSNPUUXKT-DZGCQCFKSA-N 2 0 345.403 -0.446 20 0 EBADRP CCN(CC)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001482746314 1126276320 /nfs/dbraw/zinc/27/63/20/1126276320.db2.gz CXFAHILQYKEVMQ-CQSZACIVSA-N 2 0 340.468 -0.450 20 0 EBADRP CC(C)(C(=O)NC[C@H](O)C[NH2+]CC(=O)NC1CC1)[NH+]1CCCC1 ZINC001482755072 1126278109 /nfs/dbraw/zinc/27/81/09/1126278109.db2.gz BLLJPWGXBUKXJD-CYBMUJFWSA-N 2 0 326.441 -0.794 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C2CC2)CC[N@@H+]1C ZINC001482761444 1126280019 /nfs/dbraw/zinc/28/00/19/1126280019.db2.gz IOSKKPVSPYMKFP-KCQAQPDRSA-N 2 0 340.468 -0.596 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCc2ccccc21 ZINC001482764907 1126281299 /nfs/dbraw/zinc/28/12/99/1126281299.db2.gz YTSXRIIOTOGYKX-OAHLLOKOSA-N 2 0 348.447 -0.406 20 0 EBADRP Cc1nnsc1C[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001482764142 1126281389 /nfs/dbraw/zinc/28/13/89/1126281389.db2.gz KIELQPXWFHLITA-GFCCVEGCSA-N 2 0 327.454 -0.245 20 0 EBADRP C[C@H]1CCCCN1C(=O)C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001482764404 1126281529 /nfs/dbraw/zinc/28/15/29/1126281529.db2.gz PVXGSDKBBAWHJL-UONOGXRCSA-N 2 0 328.457 -0.594 20 0 EBADRP Cc1oncc1C[NH2+]C[C@H](O)CNC(=O)COC1CC[NH+](C)CC1 ZINC001482780274 1126282155 /nfs/dbraw/zinc/28/21/55/1126282155.db2.gz AUSRYBVQLLVUDV-AWEZNQCLSA-N 2 0 340.424 -0.339 20 0 EBADRP C[N@H+](CC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1)CC(C)(C)C ZINC001482769108 1126283220 /nfs/dbraw/zinc/28/32/20/1126283220.db2.gz GMFXENNSRUDSTR-CYBMUJFWSA-N 2 0 328.457 -0.737 20 0 EBADRP Cn1nccc1CC[NH2+]C[C@@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001482773338 1126284579 /nfs/dbraw/zinc/28/45/79/1126284579.db2.gz AJKNPBXHHTUGFX-MRXNPFEDSA-N 2 0 337.468 -0.239 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)Nc2ccccc2)C1 ZINC001482792472 1126288458 /nfs/dbraw/zinc/28/84/58/1126288458.db2.gz ZOKROOCXBWFHBW-DZGCQCFKSA-N 2 0 334.420 -0.357 20 0 EBADRP C[C@@H]([NH2+]C[C@H](O)CNC(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001482784806 1126290019 /nfs/dbraw/zinc/29/00/19/1126290019.db2.gz MRYWSWLNGCFQKK-RISCZKNCSA-N 2 0 326.441 -0.951 20 0 EBADRP C[C@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)COC1CC[NH+](C)CC1 ZINC001482883611 1126299712 /nfs/dbraw/zinc/29/97/12/1126299712.db2.gz RVKJQIHLEXWKDD-TZMCWYRMSA-N 2 0 326.441 -0.530 20 0 EBADRP C[C@H](CC[NH2+]CCN1C(=O)CNC1=O)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482887930 1126300050 /nfs/dbraw/zinc/30/00/50/1126300050.db2.gz GGZSVYYCBIYDRT-CHWSQXEVSA-N 2 0 339.440 -0.636 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001482888382 1126300706 /nfs/dbraw/zinc/30/07/06/1126300706.db2.gz KCYCDSXCFSUWKI-WCQYABFASA-N 2 0 329.445 -0.487 20 0 EBADRP C[C@H]([NH2+]C/C=C/CNC(=O)CC[C@H]1CCC[N@@H+]1C)C(=O)NC(N)=O ZINC001483023276 1126314410 /nfs/dbraw/zinc/31/44/10/1126314410.db2.gz XBGLHGJKZLDIOH-HORCIZIBSA-N 2 0 339.440 -0.294 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001691555820 1126321354 /nfs/dbraw/zinc/32/13/54/1126321354.db2.gz KUSIRZNBCGRSQG-CHWSQXEVSA-N 2 0 341.456 -0.390 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NC/C=C/C[NH2+][C@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001483049938 1126322864 /nfs/dbraw/zinc/32/28/64/1126322864.db2.gz CHYMYSYAVPFKMW-UCLKDPGMSA-N 2 0 336.436 -0.216 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NC/C=C\C[NH2+]CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001483050584 1126323283 /nfs/dbraw/zinc/32/32/83/1126323283.db2.gz JFZNSXRDVKZISG-WGPFEIJOSA-N 2 0 325.413 -0.826 20 0 EBADRP O=C(CC[NH+]1CCCCC1)NC/C=C\C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001483098733 1126332747 /nfs/dbraw/zinc/33/27/47/1126332747.db2.gz SSZVKOPXEROCMP-PYLYLYNFSA-N 2 0 336.436 -0.070 20 0 EBADRP C[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)[C@H](C)[NH2+]Cc1cnnn1C ZINC001409382751 1126361448 /nfs/dbraw/zinc/36/14/48/1126361448.db2.gz IPESKHMJTLXLSS-STQMWFEESA-N 2 0 348.455 -0.130 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001483298973 1126415117 /nfs/dbraw/zinc/41/51/17/1126415117.db2.gz RVDYNAYHGUJMBF-GXTWGEPZSA-N 2 0 341.456 -0.343 20 0 EBADRP C[C@H](C[N@H+](C)CCCN1C(=O)CNC1=O)NC(=O)Cc1c[nH]cn1 ZINC001483391053 1126422896 /nfs/dbraw/zinc/42/28/96/1126422896.db2.gz MLFBGFMXVNESHQ-LLVKDONJSA-N 2 0 336.396 -0.669 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](NC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001483596937 1126438874 /nfs/dbraw/zinc/43/88/74/1126438874.db2.gz RNJOESMIPROWCR-WFASDCNBSA-N 2 0 340.468 -0.284 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](NC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001483596936 1126438960 /nfs/dbraw/zinc/43/89/60/1126438960.db2.gz RNJOESMIPROWCR-SWLSCSKDSA-N 2 0 340.468 -0.284 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1([NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001483790799 1126477477 /nfs/dbraw/zinc/47/74/77/1126477477.db2.gz MNAJIMPMLBNMKM-KBPBESRZSA-N 2 0 338.452 -0.576 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CCn2cncn2)C1 ZINC001484225906 1126527801 /nfs/dbraw/zinc/52/78/01/1126527801.db2.gz VHNCWUIKBUPDIG-ZBFHGGJFSA-N 2 0 336.440 -0.685 20 0 EBADRP CNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484233938 1126533802 /nfs/dbraw/zinc/53/38/02/1126533802.db2.gz PKEVMRJTCZZDAT-LRDDRELGSA-N 2 0 326.441 -0.984 20 0 EBADRP CNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001484235589 1126534946 /nfs/dbraw/zinc/53/49/46/1126534946.db2.gz KVXKDGPZINWWRB-GUYCJALGSA-N 2 0 342.484 -0.348 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NCC3CC3)C[C@@H]2C1 ZINC001484404138 1126569749 /nfs/dbraw/zinc/56/97/49/1126569749.db2.gz DXBJBBJDVHZQGB-XHSDSOJGSA-N 2 0 334.464 -0.003 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]CC(=O)NC1CCCC1 ZINC001484491108 1126594209 /nfs/dbraw/zinc/59/42/09/1126594209.db2.gz NEEDFXCPCLUMFG-OAHLLOKOSA-N 2 0 340.468 -0.450 20 0 EBADRP Cn1[nH]c(C[NH2+]CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nc1=O ZINC001484530147 1126602070 /nfs/dbraw/zinc/60/20/70/1126602070.db2.gz AEJKCPXAJJJLRV-CHWSQXEVSA-N 2 0 336.440 -0.469 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC001484662802 1126614943 /nfs/dbraw/zinc/61/49/43/1126614943.db2.gz VUPKNUUVNHLJBM-UHFFFAOYSA-N 2 0 339.440 -0.444 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001484681540 1126616478 /nfs/dbraw/zinc/61/64/78/1126616478.db2.gz XBYDDDDFIAUKCI-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1)C(=O)NC1CC1 ZINC001484686657 1126621717 /nfs/dbraw/zinc/62/17/17/1126621717.db2.gz AFDHVLUGTAYSEO-TZMCWYRMSA-N 2 0 326.441 -0.578 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCCNC3=O)C2)CC1 ZINC001484686130 1126621750 /nfs/dbraw/zinc/62/17/50/1126621750.db2.gz PENBUHPDGCWQLR-KBPBESRZSA-N 2 0 338.452 -0.576 20 0 EBADRP CC[C@@H](C(=O)N(C)CCC[N@H+](C)CC(=O)N1CCOCC1)[NH+](C)C ZINC001484759125 1126630544 /nfs/dbraw/zinc/63/05/44/1126630544.db2.gz RLSFQLQSMLUTIF-HNNXBMFYSA-N 2 0 342.484 -0.034 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CCC[C@@](CO)([NH2+]CCO)C2)CC1 ZINC001484853732 1126644926 /nfs/dbraw/zinc/64/49/26/1126644926.db2.gz HXYMYGVTWZFHKG-MRXNPFEDSA-N 2 0 329.441 -0.967 20 0 EBADRP CC[C@@H](C(=O)NC1(C[NH2+]CCn2cncn2)CCOCC1)[NH+](C)C ZINC001484871082 1126647690 /nfs/dbraw/zinc/64/76/90/1126647690.db2.gz RRONJSRJAJLCJM-AWEZNQCLSA-N 2 0 338.456 -0.127 20 0 EBADRP Cn1nncc1C[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001484871880 1126647906 /nfs/dbraw/zinc/64/79/06/1126647906.db2.gz KDFMUQKZHDVEMU-CYBMUJFWSA-N 2 0 336.440 -0.478 20 0 EBADRP C[C@H]([NH2+]CC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)CCOCC1)C(N)=O ZINC001484867821 1126648624 /nfs/dbraw/zinc/64/86/24/1126648624.db2.gz QZPLPYHFOYNMQE-STQMWFEESA-N 2 0 326.441 -0.401 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001485388416 1126698436 /nfs/dbraw/zinc/69/84/36/1126698436.db2.gz MJNLCJUVCLDMCK-QWHCGFSZSA-N 2 0 341.456 -0.118 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@H]1C(F)(F)F ZINC001649051501 1126865007 /nfs/dbraw/zinc/86/50/07/1126865007.db2.gz WQLIFMNHPJHAEQ-FXPVBKGRSA-N 2 0 334.342 -0.598 20 0 EBADRP CN(C(=O)C[NH+]1CCCC1)[C@@H](C[NH2+][C@H]1CCC(=O)NC1=O)C1CC1 ZINC001485835496 1126890284 /nfs/dbraw/zinc/89/02/84/1126890284.db2.gz YXMNUOSZJIHZBJ-KBPBESRZSA-N 2 0 336.436 -0.286 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001485908188 1126912771 /nfs/dbraw/zinc/91/27/71/1126912771.db2.gz MSYAHSAIDLSLEZ-LBPRGKRZSA-N 2 0 341.456 -0.247 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001485961097 1126940661 /nfs/dbraw/zinc/94/06/61/1126940661.db2.gz QKJXBEUGTQBEME-GFCCVEGCSA-N 2 0 341.456 -0.249 20 0 EBADRP Cn1nnc2cc(C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)ccc21 ZINC001486030168 1127001273 /nfs/dbraw/zinc/00/12/73/1127001273.db2.gz HJRBRGYFFRATKH-CYBMUJFWSA-N 2 0 334.424 -0.513 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2cccc3c2OCCO3)C1 ZINC001486061338 1127010665 /nfs/dbraw/zinc/01/06/65/1127010665.db2.gz LGZNVOFASXDRHB-LSDHHAIUSA-N 2 0 349.431 -0.024 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H]2C1 ZINC001486160001 1127052236 /nfs/dbraw/zinc/05/22/36/1127052236.db2.gz DZAUMQDQHACHMH-YNEHKIRRSA-N 2 0 339.440 -0.650 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CCS(C)(=O)=O)CC[N@@H+]1C ZINC001486294341 1127103003 /nfs/dbraw/zinc/10/30/03/1127103003.db2.gz GUBKAQKJDXVZMC-MELADBBJSA-N 2 0 349.497 -0.830 20 0 EBADRP CC[N@H+](C)CCC(=O)N(C)C[C@@H](O)C[NH+](C)[C@H]1CCCN(C)C1=O ZINC001486353521 1127147665 /nfs/dbraw/zinc/14/76/65/1127147665.db2.gz YTUBPPQKGJMICQ-GJZGRUSLSA-N 2 0 342.484 -0.300 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001486458165 1127179739 /nfs/dbraw/zinc/17/97/39/1127179739.db2.gz SUJZXBNGKGRVJJ-JXQTWKCFSA-N 2 0 346.497 -0.401 20 0 EBADRP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001486475591 1127182438 /nfs/dbraw/zinc/18/24/38/1127182438.db2.gz SUSGSZPBUOITNP-NFOMZHRRSA-N 2 0 340.468 -0.330 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1=CCN(CC(=O)NC(N)=O)CC1 ZINC001486512411 1127195877 /nfs/dbraw/zinc/19/58/77/1127195877.db2.gz CFTGJLAVVMRCKW-ZDUSSCGKSA-N 2 0 337.424 -0.586 20 0 EBADRP CN(CC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001493600924 1127218145 /nfs/dbraw/zinc/21/81/45/1127218145.db2.gz SJMZWPWEOJTWHN-UONOGXRCSA-N 2 0 331.482 -0.047 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)N(C)C(=O)COCC[NH+](C)C ZINC001486827196 1127265837 /nfs/dbraw/zinc/26/58/37/1127265837.db2.gz XOHUMEGAHATKGP-UONOGXRCSA-N 2 0 328.457 -0.378 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CC(CCO)(NC(=O)CC[NH+](C)C)C2)C1 ZINC001487050938 1127397947 /nfs/dbraw/zinc/39/79/47/1127397947.db2.gz SWBMOMXWDHHJRK-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)C)CCO2 ZINC001487240065 1127442664 /nfs/dbraw/zinc/44/26/64/1127442664.db2.gz YFZDKAKJFRHALM-QGZVFWFLSA-N 2 0 340.468 -0.280 20 0 EBADRP C[C@H](C(=O)NC[C@@H](O)CNC(=O)CC[NH+](C)C)[NH+]1CCCCCC1 ZINC001410106482 1127568842 /nfs/dbraw/zinc/56/88/42/1127568842.db2.gz FAXGHCJAMOUWHI-CABCVRRESA-N 2 0 342.484 -0.204 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](O)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001410126728 1127591155 /nfs/dbraw/zinc/59/11/55/1127591155.db2.gz LXRJWLOUKGKHKE-HNNXBMFYSA-N 2 0 347.419 -0.119 20 0 EBADRP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N2CCOCC2)C1)[NH+](C)C ZINC001410218938 1127645871 /nfs/dbraw/zinc/64/58/71/1127645871.db2.gz HSBIWVKFHRRYOF-RBSFLKMASA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001410224390 1127647691 /nfs/dbraw/zinc/64/76/91/1127647691.db2.gz YSEGUYPUSKAHQT-RBSFLKMASA-N 2 0 340.468 -0.330 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001410231373 1127651807 /nfs/dbraw/zinc/65/18/07/1127651807.db2.gz WCEXSPBFAXWAIU-JHJVBQTASA-N 2 0 339.440 -0.589 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001410482840 1127726284 /nfs/dbraw/zinc/72/62/84/1127726284.db2.gz RWPCRIHMXGQPBH-CHWSQXEVSA-N 2 0 328.457 -0.332 20 0 EBADRP CNC(=O)c1ccc(C[NH2+][C@H](CO)CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001410586120 1127759892 /nfs/dbraw/zinc/75/98/92/1127759892.db2.gz LOZQMTYRSNUMRA-JKSUJKDBSA-N 2 0 348.447 -0.293 20 0 EBADRP CC(C)NC(=O)CN[C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001410628506 1127780141 /nfs/dbraw/zinc/78/01/41/1127780141.db2.gz RBZAUGBJCOATSV-ZIAGYGMSSA-N 2 0 328.457 -0.550 20 0 EBADRP C[NH+](C)CC1(C(=O)NC[C@@H](CO)[NH2+][C@@H]2CCNC2=O)CCCCC1 ZINC001410703452 1127827947 /nfs/dbraw/zinc/82/79/47/1127827947.db2.gz UPKGWWSOOVVIMZ-UONOGXRCSA-N 2 0 340.468 -0.546 20 0 EBADRP O=C(NC[C@H](CO)[NH2+]C[C@H](O)CC(F)(F)F)C12CC[NH+](CC1)C2 ZINC001410760926 1127867850 /nfs/dbraw/zinc/86/78/50/1127867850.db2.gz YZSFNKLTLYAYTA-GHMZBOCLSA-N 2 0 339.358 -0.538 20 0 EBADRP C[C@H]1[C@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001410865051 1127922036 /nfs/dbraw/zinc/92/20/36/1127922036.db2.gz USIJSIDPDVCUEW-QWHCGFSZSA-N 2 0 339.440 -0.508 20 0 EBADRP C[C@@H]1[C@@H]([NH2+]CCN2CCCS2(=O)=O)CCN1C(=O)CC[NH+](C)C ZINC001410872856 1127925003 /nfs/dbraw/zinc/92/50/03/1127925003.db2.gz ZBPIXFCELVKUMV-KGLIPLIRSA-N 2 0 346.497 -0.447 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnnn1C ZINC001411083051 1128008322 /nfs/dbraw/zinc/00/83/22/1128008322.db2.gz ZSNUCKKZEAZTQV-CABCVRRESA-N 2 0 338.456 -0.403 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001411128455 1128023262 /nfs/dbraw/zinc/02/32/62/1128023262.db2.gz PSLANUZMKOIMOV-ZIAGYGMSSA-N 2 0 328.457 -0.642 20 0 EBADRP C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)C[NH+]1CCC(C)CC1)C(=O)N(C)C ZINC001411134452 1128030761 /nfs/dbraw/zinc/03/07/61/1128030761.db2.gz ZFTWRHLFPAUFNJ-CABCVRRESA-N 2 0 342.484 -0.396 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001411237641 1128101372 /nfs/dbraw/zinc/10/13/72/1128101372.db2.gz PEGVBORKAGMFTE-WXRRBKDZSA-N 2 0 339.440 -0.495 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)C1CC([NH2+]CC(=O)N(C)C)C1 ZINC001411254517 1128105194 /nfs/dbraw/zinc/10/51/94/1128105194.db2.gz ZCCCQWOKNJYBBC-NFOMZHRRSA-N 2 0 340.468 -0.378 20 0 EBADRP CN(C)[C@H](Cn1cccn1)C(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001091736772 1128151276 /nfs/dbraw/zinc/15/12/76/1128151276.db2.gz BFLHQYUZXMXCLQ-CPUCHLNUSA-N 2 0 348.451 -0.921 20 0 EBADRP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133220 1128295999 /nfs/dbraw/zinc/29/59/99/1128295999.db2.gz WOPUVYXTOKHARU-HUUCEWRRSA-N 2 0 334.464 -0.001 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC(n2cc(C[NH2+]C[C@H]3CCOC3)nn2)C1 ZINC001093343687 1128331162 /nfs/dbraw/zinc/33/11/62/1128331162.db2.gz LQHUMQQNZRFBDX-CQSZACIVSA-N 2 0 348.451 -0.117 20 0 EBADRP CN(CCOCCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)C[NH+]1CCCC1 ZINC001487578487 1128372341 /nfs/dbraw/zinc/37/23/41/1128372341.db2.gz HONPOGJFTJBUBM-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)C[NH+]1CCCC1 ZINC001488017757 1128514567 /nfs/dbraw/zinc/51/45/67/1128514567.db2.gz WCQPCOBEARRTCL-CABCVRRESA-N 2 0 340.468 -0.450 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](CO)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001488078616 1128613096 /nfs/dbraw/zinc/61/30/96/1128613096.db2.gz UPMILKIOYKUDOL-OAHLLOKOSA-N 2 0 342.484 -0.348 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)CNC(=O)C[NH+]2CCCC2)C1 ZINC001488409379 1128744804 /nfs/dbraw/zinc/74/48/04/1128744804.db2.gz LEVSICRREGXEEV-LSDHHAIUSA-N 2 0 340.468 -0.641 20 0 EBADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC(NC(=O)COCC[NH+](C)C)C1 ZINC001488588663 1128799881 /nfs/dbraw/zinc/79/98/81/1128799881.db2.gz RGSVCPSKKKGUAZ-YMAMQOFZSA-N 2 0 340.468 -0.236 20 0 EBADRP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]C[C@@H](C)O ZINC001489017895 1128899187 /nfs/dbraw/zinc/89/91/87/1128899187.db2.gz WOBRWNRAEAGJOF-RBSFLKMASA-N 2 0 325.453 -0.084 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCc2nc(C[NH2+]CCCO)cc(=O)[nH]2)C1 ZINC001489077896 1128906445 /nfs/dbraw/zinc/90/64/45/1128906445.db2.gz JVOFYELRQXWQHO-GFCCVEGCSA-N 2 0 337.424 -0.388 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH+](CCO)CCCO)C2)C1 ZINC001489171609 1128916294 /nfs/dbraw/zinc/91/62/94/1128916294.db2.gz ZMRGKFCLRDQHRI-HZPDHXFCSA-N 2 0 327.469 -0.004 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]([NH+](CCO)CCCO)C2)C1 ZINC001489173076 1128917013 /nfs/dbraw/zinc/91/70/13/1128917013.db2.gz ISAHDHWPEFVKAN-CVEARBPZSA-N 2 0 327.469 -0.004 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001489367585 1128967690 /nfs/dbraw/zinc/96/76/90/1128967690.db2.gz RCJBYWVJYPURES-RBSFLKMASA-N 2 0 340.468 -0.500 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001489628021 1129033557 /nfs/dbraw/zinc/03/35/57/1129033557.db2.gz SCATXHHDQHNJMY-KFWWJZLASA-N 2 0 340.468 -0.642 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001490261535 1129160893 /nfs/dbraw/zinc/16/08/93/1129160893.db2.gz NJYDBBLIISTEOG-ZDUSSCGKSA-N 2 0 341.456 -0.260 20 0 EBADRP CN(C(=O)CC[NH+](C)C)C1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001490416044 1129177418 /nfs/dbraw/zinc/17/74/18/1129177418.db2.gz IXPLFEIWNFULQV-UHFFFAOYSA-N 2 0 339.440 -0.587 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCN2C(=O)CNC2=O)C1 ZINC001490567911 1129227377 /nfs/dbraw/zinc/22/73/77/1129227377.db2.gz QQERXPHJSJUWPW-LBPRGKRZSA-N 2 0 325.413 -0.930 20 0 EBADRP O=C(NC[C@@H]([NH2+][C@@H]1CCC(=O)NC1=O)C1CC1)C12CCC[NH+]1CCC2 ZINC001490681751 1129240112 /nfs/dbraw/zinc/24/01/12/1129240112.db2.gz RPAFRWNHTULMHP-ZIAGYGMSSA-N 2 0 348.447 -0.096 20 0 EBADRP CN(C)S(=O)(=O)CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021733 1129265178 /nfs/dbraw/zinc/26/51/78/1129265178.db2.gz JBSLPQJKPABIQN-CHWSQXEVSA-N 2 0 334.486 -0.924 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)NC(=O)[C@H]1CN(C)CCO1 ZINC001412639855 1129583064 /nfs/dbraw/zinc/58/30/64/1129583064.db2.gz QKNRMWXXCVPIJM-UONOGXRCSA-N 2 0 328.457 -0.378 20 0 EBADRP Cn1cncc1CCC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001412809676 1129665425 /nfs/dbraw/zinc/66/54/25/1129665425.db2.gz WKXJCEDTLSWXIQ-JSGCOSHPSA-N 2 0 337.424 -0.960 20 0 EBADRP C[NH+]1CCC(CC(=O)NC[C@@H](CO)NC(=O)C[NH+]2CCCC2)CC1 ZINC001412855448 1129735234 /nfs/dbraw/zinc/73/52/34/1129735234.db2.gz RYHFIDUIYZRDMQ-HNNXBMFYSA-N 2 0 340.468 -0.593 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@@H](CO)NC(=O)C12CCC[NH+]1CCC2 ZINC001412861068 1129740219 /nfs/dbraw/zinc/74/02/19/1129740219.db2.gz MFMTUIJOQPEGLE-AWEZNQCLSA-N 2 0 338.452 -0.696 20 0 EBADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)CC1 ZINC001413012900 1129859224 /nfs/dbraw/zinc/85/92/24/1129859224.db2.gz PVPWFWVBFKHFOF-CQSZACIVSA-N 2 0 341.500 -0.415 20 0 EBADRP CC[C@H](C(=O)N(C)C[C@H](O)CNC(=O)C1CC[NH+](C)CC1)[NH+](C)C ZINC001413299493 1129998075 /nfs/dbraw/zinc/99/80/75/1129998075.db2.gz SUCDBTSOSJGWSL-HUUCEWRRSA-N 2 0 342.484 -0.396 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]2C[N@H+](CC(=O)NC(N)=O)CC[C@@H]21 ZINC001490984908 1130280593 /nfs/dbraw/zinc/28/05/93/1130280593.db2.gz VEGSPENBZYGUEH-OLZOCXBDSA-N 2 0 339.440 -0.554 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001491080797 1130315472 /nfs/dbraw/zinc/31/54/72/1130315472.db2.gz RPMYJVSEQVHJGS-OKILXGFUSA-N 2 0 346.497 -0.401 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H]1CCC[NH+](CC(=O)NC(N)=O)C1 ZINC001491296306 1130387986 /nfs/dbraw/zinc/38/79/86/1130387986.db2.gz NLADGWONXDARSP-CHWSQXEVSA-N 2 0 341.456 -0.260 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001491319529 1130398151 /nfs/dbraw/zinc/39/81/51/1130398151.db2.gz RGTXLIPPLOZJSL-HUUCEWRRSA-N 2 0 340.468 -0.471 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001491319528 1130398365 /nfs/dbraw/zinc/39/83/65/1130398365.db2.gz RGTXLIPPLOZJSL-GJZGRUSLSA-N 2 0 340.468 -0.471 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001491506907 1130476580 /nfs/dbraw/zinc/47/65/80/1130476580.db2.gz VMTUPFDRSDUSEI-WCQYABFASA-N 2 0 339.440 -0.447 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCOCC)C1 ZINC001216499188 1130522882 /nfs/dbraw/zinc/52/28/82/1130522882.db2.gz GWSZJEWPVSCOJX-HUUCEWRRSA-N 2 0 342.484 -0.083 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC(=O)NC)C1 ZINC001491557654 1130528605 /nfs/dbraw/zinc/52/86/05/1130528605.db2.gz HCIRTCYNVUKYGT-QWHCGFSZSA-N 2 0 341.456 -0.342 20 0 EBADRP Nc1ncc(CN2CC[NH2+]CCNCC[NH2+]CC2)c(C(F)(F)F)n1 ZINC001235876127 1130531129 /nfs/dbraw/zinc/53/11/29/1130531129.db2.gz WBBRVNPKMNXNAL-UHFFFAOYSA-N 2 0 347.389 -0.338 20 0 EBADRP C[N@H+](CCN1CC[NH+](C)CC1)C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O ZINC001235949288 1130531230 /nfs/dbraw/zinc/53/12/30/1130531230.db2.gz CQSOLAIXCBTDTA-XGUBFFRZSA-N 2 0 329.441 -0.597 20 0 EBADRP C[C@H](CCNC(=O)COC1CC[NH+](C)CC1)[NH2+]CC(=O)N(C)C ZINC001492105647 1130582208 /nfs/dbraw/zinc/58/22/08/1130582208.db2.gz VNIRVVQYCIHJIR-CYBMUJFWSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1O ZINC001414063596 1130687839 /nfs/dbraw/zinc/68/78/39/1130687839.db2.gz COXNGVXENGNCOH-KGLIPLIRSA-N 2 0 342.484 -0.396 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+](CCN2C(=O)CCC2=O)C1 ZINC001493258222 1130811672 /nfs/dbraw/zinc/81/16/72/1130811672.db2.gz YFSFYDJHTFSQPM-CQSZACIVSA-N 2 0 338.452 -0.085 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001480530627 1130826470 /nfs/dbraw/zinc/82/64/70/1130826470.db2.gz LAOMROPFGZDVMA-NSHDSACASA-N 2 0 327.429 -0.732 20 0 EBADRP O=C(NCCCCCN1CC[NH2+]CC1)NCC[N@H+]1CC[C@H](O)C1 ZINC001357592030 1131104896 /nfs/dbraw/zinc/10/48/96/1131104896.db2.gz VWJIBSGEKOXMMW-HNNXBMFYSA-N 2 0 327.473 -0.572 20 0 EBADRP C[N@H+](CC(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)[C@@H]1CCC[C@H]1O ZINC001363284029 1131870722 /nfs/dbraw/zinc/87/07/22/1131870722.db2.gz IVZBOEROIQJVGY-BZUAXINKSA-N 2 0 325.453 -0.111 20 0 EBADRP NC(=O)Cn1cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)nn1 ZINC001364648950 1132383614 /nfs/dbraw/zinc/38/36/14/1132383614.db2.gz LVVWSRAGEFQYMI-UHFFFAOYSA-N 2 0 336.440 -0.256 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001365834084 1132823979 /nfs/dbraw/zinc/82/39/79/1132823979.db2.gz MZEUOZPVHFQMHZ-KLHDSHLOSA-N 2 0 335.452 -0.177 20 0 EBADRP CC(C)(C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+]1CCCC1 ZINC001365841263 1132828735 /nfs/dbraw/zinc/82/87/35/1132828735.db2.gz VHRJABRWSDGSSY-HAQNSBGRSA-N 2 0 339.440 -0.460 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@H](CNC(=O)C3(C[NH+](C)C)CC3)C2)nc1=O ZINC001365842679 1132829756 /nfs/dbraw/zinc/82/97/56/1132829756.db2.gz ZQGKWQHJIINMEI-HAQNSBGRSA-N 2 0 336.440 -0.565 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001365850609 1132832526 /nfs/dbraw/zinc/83/25/26/1132832526.db2.gz YBYRERJUINTAKY-YRGRVCCFSA-N 2 0 341.456 -0.487 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001365858700 1132836120 /nfs/dbraw/zinc/83/61/20/1132836120.db2.gz WYIOEUJEVFKKID-MELADBBJSA-N 2 0 331.482 -0.143 20 0 EBADRP C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001365934499 1132895128 /nfs/dbraw/zinc/89/51/28/1132895128.db2.gz UNGMULOPJRVGQK-OLZOCXBDSA-N 2 0 339.440 -0.364 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001366092816 1132999873 /nfs/dbraw/zinc/99/98/73/1132999873.db2.gz OOHCTIYYEFHMBD-QWHCGFSZSA-N 2 0 339.440 -0.493 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001366111031 1133010616 /nfs/dbraw/zinc/01/06/16/1133010616.db2.gz GMSDTBVKHZPDSX-JHJVBQTASA-N 2 0 339.440 -0.447 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001366127652 1133018472 /nfs/dbraw/zinc/01/84/72/1133018472.db2.gz QPKPMYVMYMEXIJ-FDYHWXHSSA-N 2 0 339.440 -0.448 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366155251 1133030625 /nfs/dbraw/zinc/03/06/25/1133030625.db2.gz LMPFLLMSLGUOPT-PHIMTYICSA-N 2 0 325.413 -0.979 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001366207427 1133056612 /nfs/dbraw/zinc/05/66/12/1133056612.db2.gz OUCYWBKPCDTMSO-NWDGAFQWSA-N 2 0 327.429 -0.650 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001366207225 1133056852 /nfs/dbraw/zinc/05/68/52/1133056852.db2.gz NYNYMWCZBFAYQE-CYBMUJFWSA-N 2 0 338.456 -0.223 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001366223323 1133063161 /nfs/dbraw/zinc/06/31/61/1133063161.db2.gz XOBJQOAIVQDTOT-CYBMUJFWSA-N 2 0 341.456 -0.116 20 0 EBADRP C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001366228372 1133065101 /nfs/dbraw/zinc/06/51/01/1133065101.db2.gz HAPUKOWDKJBIIS-NWDGAFQWSA-N 2 0 327.429 -0.650 20 0 EBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001366355299 1133109046 /nfs/dbraw/zinc/10/90/46/1133109046.db2.gz CHCMQGFRMXCKBM-KBPBESRZSA-N 2 0 326.441 -0.528 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001366389402 1133125851 /nfs/dbraw/zinc/12/58/51/1133125851.db2.gz FDCUZQYDPCSHDX-ZDUSSCGKSA-N 2 0 339.440 -0.492 20 0 EBADRP C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]C[C@@H](O)Cn1cccn1 ZINC001366501371 1133160313 /nfs/dbraw/zinc/16/03/13/1133160313.db2.gz WADCXGXVUBGBPR-LSDHHAIUSA-N 2 0 335.452 -0.176 20 0 EBADRP C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]C[C@@H](O)Cn1cccn1 ZINC001366501365 1133160433 /nfs/dbraw/zinc/16/04/33/1133160433.db2.gz WADCXGXVUBGBPR-HUUCEWRRSA-N 2 0 335.452 -0.176 20 0 EBADRP C[C@@H](CCNC(=O)CC[NH+]1CCCCC1)[NH2+]CC(=O)NC(N)=O ZINC001366515813 1133164113 /nfs/dbraw/zinc/16/41/13/1133164113.db2.gz ZMSLRXXJWDTCTH-LBPRGKRZSA-N 2 0 327.429 -0.458 20 0 EBADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+](CC(=O)NC(=O)NC)C1 ZINC001366704608 1133264525 /nfs/dbraw/zinc/26/45/25/1133264525.db2.gz JMLOKKMPYSCVBI-CYBMUJFWSA-N 2 0 341.456 -0.388 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001366769666 1133290255 /nfs/dbraw/zinc/29/02/55/1133290255.db2.gz LORVRNZJMZLNHA-IJLUTSLNSA-N 2 0 327.429 -0.781 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001366830754 1133308677 /nfs/dbraw/zinc/30/86/77/1133308677.db2.gz AFLMJLGIVMRYJT-QWHCGFSZSA-N 2 0 341.456 -0.260 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@H](C[N@H+](C)CC(N)=O)C2)cn1 ZINC001366878285 1133338209 /nfs/dbraw/zinc/33/82/09/1133338209.db2.gz DMIFDVDUAZGXLD-CYBMUJFWSA-N 2 0 336.440 -0.676 20 0 EBADRP CC[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001367092308 1133472359 /nfs/dbraw/zinc/47/23/59/1133472359.db2.gz HNTFQOAXLBFXJP-CHWSQXEVSA-N 2 0 336.440 -0.565 20 0 EBADRP CC[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC(=O)N1CCOCC1 ZINC001367094442 1133473902 /nfs/dbraw/zinc/47/39/02/1133473902.db2.gz CUHXPQIDUYGYIK-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCOCC1 ZINC001367133745 1133484608 /nfs/dbraw/zinc/48/46/08/1133484608.db2.gz FSFVQAOPCGQCCH-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP CNC(=O)C[NH2+]CC1(NC(=O)COC2CC[NH+](C)CC2)CCCC1 ZINC001367159656 1133490842 /nfs/dbraw/zinc/49/08/42/1133490842.db2.gz LKIKYVUPKKRDPO-UHFFFAOYSA-N 2 0 340.468 -0.138 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)NC(N)=O)CC1 ZINC001367195654 1133498997 /nfs/dbraw/zinc/49/89/97/1133498997.db2.gz AFSOUZDTXLEYOG-JOCQHMNTSA-N 2 0 341.456 -0.070 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001367220697 1133504498 /nfs/dbraw/zinc/50/44/98/1133504498.db2.gz LDBAHPFJSWGJOO-CYBMUJFWSA-N 2 0 341.456 -0.246 20 0 EBADRP C[C@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)C[NH2+]CC(=O)N(C)C ZINC001367259716 1133518361 /nfs/dbraw/zinc/51/83/61/1133518361.db2.gz IYVXUTNVNXUVPP-AWEZNQCLSA-N 2 0 342.484 -0.225 20 0 EBADRP C[C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)C[NH2+]Cc1cnn(C)n1 ZINC001367287066 1133526884 /nfs/dbraw/zinc/52/68/84/1133526884.db2.gz PIXXOAGKNLWUQI-UONOGXRCSA-N 2 0 338.456 -0.375 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367401881 1133579379 /nfs/dbraw/zinc/57/93/79/1133579379.db2.gz YVKNXYKSIYQXHX-NWDGAFQWSA-N 2 0 327.429 -0.780 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001367443462 1133590521 /nfs/dbraw/zinc/59/05/21/1133590521.db2.gz MBKJSSBAZQRUNN-NEPJUHHUSA-N 2 0 325.413 -0.896 20 0 EBADRP CC(C)[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC(=O)NC(N)=O ZINC001367480803 1133599309 /nfs/dbraw/zinc/59/93/09/1133599309.db2.gz INABPPPLWSOQJC-CYBMUJFWSA-N 2 0 341.456 -0.356 20 0 EBADRP CC(C)[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CC(=O)N(C)C ZINC001367496217 1133602352 /nfs/dbraw/zinc/60/23/52/1133602352.db2.gz WYNNKXWFUGZYTJ-GJZGRUSLSA-N 2 0 342.484 -0.227 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)N(C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001367547834 1133623530 /nfs/dbraw/zinc/62/35/30/1133623530.db2.gz OZGDOFYAJQXOEV-OLZOCXBDSA-N 2 0 343.472 -0.193 20 0 EBADRP CCn1nncc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001367581937 1133650763 /nfs/dbraw/zinc/65/07/63/1133650763.db2.gz MYJGSEOTCUBTKY-LSDHHAIUSA-N 2 0 338.456 -0.263 20 0 EBADRP COc1ncccc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001367588124 1133658585 /nfs/dbraw/zinc/65/85/85/1133658585.db2.gz ZFHWUYVXFQIZFG-JKSUJKDBSA-N 2 0 348.447 -0.001 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCCCC2)CC1 ZINC001367604499 1133683038 /nfs/dbraw/zinc/68/30/38/1133683038.db2.gz RORBKEBVBMBCJO-OAHLLOKOSA-N 2 0 340.468 -0.593 20 0 EBADRP C[C@@H](CC[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001367651280 1133730451 /nfs/dbraw/zinc/73/04/51/1133730451.db2.gz SZDPNSHAEPSZMQ-RYUDHWBXSA-N 2 0 341.456 -0.071 20 0 EBADRP CCN(CC[NH2+][C@@H](C)C(=O)NC(=O)NC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001367662833 1133735763 /nfs/dbraw/zinc/73/57/63/1133735763.db2.gz TUGBHKDVAFRQSA-NWDGAFQWSA-N 2 0 327.429 -0.637 20 0 EBADRP C[C@H](C[NH2+]CC(=O)Nc1nncs1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001367689389 1133748477 /nfs/dbraw/zinc/74/84/77/1133748477.db2.gz MPMLMHRPWSDJEX-NXEZZACHSA-N 2 0 326.426 -0.335 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)COC1CC[NH+](C)CC1 ZINC001367703906 1133752849 /nfs/dbraw/zinc/75/28/49/1133752849.db2.gz NDCPLDVYWNQTJK-GFCCVEGCSA-N 2 0 326.441 -0.530 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCOCC1 ZINC001367738578 1133767005 /nfs/dbraw/zinc/76/70/05/1133767005.db2.gz SMNFOOCZARDVCQ-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001367748758 1133770178 /nfs/dbraw/zinc/77/01/78/1133770178.db2.gz KQKVGYTYXLPPOK-NWDGAFQWSA-N 2 0 341.456 -0.201 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)Nc1cnccn1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001367761281 1133775464 /nfs/dbraw/zinc/77/54/64/1133775464.db2.gz SZZFISLYVATJTM-STQMWFEESA-N 2 0 334.424 -0.149 20 0 EBADRP C[C@@H](C[N@H+](C)CCN1CCNC1=O)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001367812815 1133795887 /nfs/dbraw/zinc/79/58/87/1133795887.db2.gz CRRDVYBLLMSBCF-KBPBESRZSA-N 2 0 325.457 -0.068 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C2CC2)CCO1 ZINC001367913505 1133837981 /nfs/dbraw/zinc/83/79/81/1133837981.db2.gz RECGZADMMLPSOD-DZGCQCFKSA-N 2 0 340.468 -0.330 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001368108425 1133941225 /nfs/dbraw/zinc/94/12/25/1133941225.db2.gz IZYJXVQODHHBRH-GFCCVEGCSA-N 2 0 327.429 -0.636 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC001368228712 1133998919 /nfs/dbraw/zinc/99/89/19/1133998919.db2.gz OCABOBAPKZAERQ-HNNXBMFYSA-N 2 0 348.513 -0.294 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]CC(=O)N(C)C)CCOCC1 ZINC001368235366 1134002900 /nfs/dbraw/zinc/00/29/00/1134002900.db2.gz CLVPLPGPVBLYBV-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP CNC(=O)C[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CCOCC1 ZINC001368242983 1134013995 /nfs/dbraw/zinc/01/39/95/1134013995.db2.gz YOVSFWIKXHZLIT-UHFFFAOYSA-N 2 0 340.468 -0.137 20 0 EBADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001368263110 1134057408 /nfs/dbraw/zinc/05/74/08/1134057408.db2.gz QJDFNDMXXXFHRB-BBRMVZONSA-N 2 0 338.452 -0.568 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([C@H](C)[NH2+]CC(=O)NC(N)=O)C1 ZINC001368351784 1134159577 /nfs/dbraw/zinc/15/95/77/1134159577.db2.gz ZZVAKOSLZLRYFR-STQMWFEESA-N 2 0 341.456 -0.260 20 0 EBADRP COC[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4cncn4C3)C[C@H]2C1 ZINC001368359681 1134163929 /nfs/dbraw/zinc/16/39/29/1134163929.db2.gz ZVRPDIYBBHWDHS-PNBKFKSVSA-N 2 0 348.447 -0.157 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCC1 ZINC001368478541 1134247232 /nfs/dbraw/zinc/24/72/32/1134247232.db2.gz XLLZZQRNJSNSGP-GFCCVEGCSA-N 2 0 339.440 -0.316 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCO[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001368507278 1134260465 /nfs/dbraw/zinc/26/04/65/1134260465.db2.gz PNQGJYMNXVJOQJ-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP CCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCO1 ZINC001368509628 1134261770 /nfs/dbraw/zinc/26/17/70/1134261770.db2.gz LLZHWZZKHDNEGB-HOCLYGCPSA-N 2 0 342.484 -0.084 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001368512462 1134264934 /nfs/dbraw/zinc/26/49/34/1134264934.db2.gz WTWYTWKRXVHWCX-CABCVRRESA-N 2 0 329.441 -0.848 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC(=O)NC(N)=O)CC1 ZINC001368523835 1134274541 /nfs/dbraw/zinc/27/45/41/1134274541.db2.gz WNSQCXOBBYBSKC-VXGBXAGGSA-N 2 0 325.413 -0.754 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC001368572780 1134297388 /nfs/dbraw/zinc/29/73/88/1134297388.db2.gz FUYRWVBVTSZPJC-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001368575014 1134299472 /nfs/dbraw/zinc/29/94/72/1134299472.db2.gz SNLRIQLJVOAWLG-AVGNSLFASA-N 2 0 339.440 -0.460 20 0 EBADRP CN(C)C(=O)C[NH2+][C@]1(CO)CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001368614115 1134325717 /nfs/dbraw/zinc/32/57/17/1134325717.db2.gz NCJLFYOMWZIPOQ-QGZVFWFLSA-N 2 0 340.468 -0.498 20 0 EBADRP CCNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001368615434 1134326635 /nfs/dbraw/zinc/32/66/35/1134326635.db2.gz OWUYGDDRKKPUJC-RDJZCZTQSA-N 2 0 342.484 -0.348 20 0 EBADRP CNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001368618763 1134330026 /nfs/dbraw/zinc/33/00/26/1134330026.db2.gz WFLDUFQUACORPH-YOEHRIQHSA-N 2 0 338.452 -0.983 20 0 EBADRP CNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001368620114 1134331842 /nfs/dbraw/zinc/33/18/42/1134331842.db2.gz DCLRAUFXPIUFTE-CJNGLKHVSA-N 2 0 326.441 -0.840 20 0 EBADRP CNC(=O)C[NH2+]CC1(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCOCC1 ZINC001368632653 1134345534 /nfs/dbraw/zinc/34/55/34/1134345534.db2.gz GHMVHSAIEFRLOS-KBPBESRZSA-N 2 0 340.468 -0.140 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001368643242 1134351746 /nfs/dbraw/zinc/35/17/46/1134351746.db2.gz FSGLZPQDOMQRTB-NWDGAFQWSA-N 2 0 327.429 -0.602 20 0 EBADRP Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001368645254 1134352608 /nfs/dbraw/zinc/35/26/08/1134352608.db2.gz YZKCTYXUSUDBSL-BFHYXJOUSA-N 2 0 335.456 -0.074 20 0 EBADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)NC ZINC001368653146 1134357546 /nfs/dbraw/zinc/35/75/46/1134357546.db2.gz NCRAWVYOUUNCNH-MGPQQGTHSA-N 2 0 326.441 -0.720 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001368700211 1134397359 /nfs/dbraw/zinc/39/73/59/1134397359.db2.gz DSJHVLQFRFQNJV-ZIAGYGMSSA-N 2 0 340.468 -0.188 20 0 EBADRP Cn1cc(CC[NH+]2CCC(CO)(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC001368764405 1134427184 /nfs/dbraw/zinc/42/71/84/1134427184.db2.gz MLYSKOQLLKBYLH-MRXNPFEDSA-N 2 0 349.479 0.000 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001368783766 1134439664 /nfs/dbraw/zinc/43/96/64/1134439664.db2.gz YPZPMEUBYJAOHI-QWHCGFSZSA-N 2 0 339.440 -0.493 20 0 EBADRP C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001368923415 1134486465 /nfs/dbraw/zinc/48/64/65/1134486465.db2.gz HPCSXOBCAJQUOL-RYUDHWBXSA-N 2 0 341.456 -0.404 20 0 EBADRP COC[C@H](O)C[NH+]1CC([C@H](C)NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001369092967 1134560763 /nfs/dbraw/zinc/56/07/63/1134560763.db2.gz BHVHATNXJUWYQO-DZGCQCFKSA-N 2 0 343.468 -0.459 20 0 EBADRP CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21)[NH+](C)C ZINC001369136804 1134584697 /nfs/dbraw/zinc/58/46/97/1134584697.db2.gz GQCGXTARZOWYTC-XQLPTFJDSA-N 2 0 337.468 -0.354 20 0 EBADRP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)C(=O)NC(N)=O ZINC001369177632 1134607577 /nfs/dbraw/zinc/60/75/77/1134607577.db2.gz BUIVXZZXEKTMSE-SRVKXCTJSA-N 2 0 337.424 -0.850 20 0 EBADRP CC[C@H](C(=O)N(C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1CC1)[NH+](C)C ZINC001369229659 1134623686 /nfs/dbraw/zinc/62/36/86/1134623686.db2.gz PEZYWRRULQNRBI-NEPJUHHUSA-N 2 0 327.429 -0.652 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001369302648 1134646170 /nfs/dbraw/zinc/64/61/70/1134646170.db2.gz JGHZCYNOMOMQRM-RYUDHWBXSA-N 2 0 327.429 -0.780 20 0 EBADRP Cn1nnc2cc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]3CCC[N@@H+]3C)ccc21 ZINC001369318213 1134658746 /nfs/dbraw/zinc/65/87/46/1134658746.db2.gz FGHUGPZANWNDLR-CJNGLKHVSA-N 2 0 346.435 -0.371 20 0 EBADRP CNC(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)c1sccc1C[NH+](C)C ZINC001369341335 1134688110 /nfs/dbraw/zinc/68/81/10/1134688110.db2.gz LPDQCSOHKLFBFK-CMPLNLGQSA-N 2 0 342.465 -0.376 20 0 EBADRP C[C@@H]1CCCCN1C(=O)C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001369345679 1134693869 /nfs/dbraw/zinc/69/38/69/1134693869.db2.gz HSMFUXVQVYJQIP-ZIAGYGMSSA-N 2 0 328.457 -0.594 20 0 EBADRP C[C@H]1CCCCN1C(=O)C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C ZINC001369345628 1134693958 /nfs/dbraw/zinc/69/39/58/1134693958.db2.gz HSMFUXVQVYJQIP-KBPBESRZSA-N 2 0 328.457 -0.594 20 0 EBADRP CC(C)N(C)C(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001369350152 1134699547 /nfs/dbraw/zinc/69/95/47/1134699547.db2.gz RNHKXOWOANOIEE-DZGCQCFKSA-N 2 0 342.484 -0.350 20 0 EBADRP CC(C)N(C)C(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001369350171 1134700052 /nfs/dbraw/zinc/70/00/52/1134700052.db2.gz RNHKXOWOANOIEE-ZFWWWQNUSA-N 2 0 342.484 -0.350 20 0 EBADRP CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001369351572 1134701831 /nfs/dbraw/zinc/70/18/31/1134701831.db2.gz USMQSQQNVRPXFR-CQSZACIVSA-N 2 0 342.484 -0.347 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001369376144 1134733433 /nfs/dbraw/zinc/73/34/33/1134733433.db2.gz RGGXXPPDXQWKQW-UONOGXRCSA-N 2 0 328.457 -0.690 20 0 EBADRP C[C@H]1[C@H]([NH2+]CC(=O)Nc2cnccn2)CCN1C(=O)CC[NH+](C)C ZINC001369395567 1134755842 /nfs/dbraw/zinc/75/58/42/1134755842.db2.gz RQLWJTIRNCYZOA-QWHCGFSZSA-N 2 0 334.424 -0.054 20 0 EBADRP C[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)CN1C(=O)C1CC[NH+](C)CC1 ZINC001369410544 1134767357 /nfs/dbraw/zinc/76/73/57/1134767357.db2.gz WDLTXDJUWNVWDD-CMPLNLGQSA-N 2 0 325.413 -0.898 20 0 EBADRP C[C@@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)CN1C(=O)C1CC[NH+](C)CC1 ZINC001369410569 1134767924 /nfs/dbraw/zinc/76/79/24/1134767924.db2.gz WDLTXDJUWNVWDD-ZYHUDNBSSA-N 2 0 325.413 -0.898 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001369472759 1134828864 /nfs/dbraw/zinc/82/88/64/1134828864.db2.gz LDGJKHHMOLPKJH-QWHCGFSZSA-N 2 0 326.441 -0.842 20 0 EBADRP Cc1nn(C)cc1C[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001369484403 1134852802 /nfs/dbraw/zinc/85/28/02/1134852802.db2.gz QBWJMMWXKGZGFY-BBRMVZONSA-N 2 0 337.468 -0.021 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001369852502 1135048931 /nfs/dbraw/zinc/04/89/31/1135048931.db2.gz JBYAJIXVNMHJQI-GJZGRUSLSA-N 2 0 343.468 -0.315 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001369852515 1135049216 /nfs/dbraw/zinc/04/92/16/1135049216.db2.gz JBYAJIXVNMHJQI-LSDHHAIUSA-N 2 0 343.468 -0.315 20 0 EBADRP C[C@H]([NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1)C(=O)NC(N)=O ZINC001370167619 1135233253 /nfs/dbraw/zinc/23/32/53/1135233253.db2.gz MHNOPWLODDUYNI-CMPLNLGQSA-N 2 0 339.440 -0.462 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001370366396 1135320258 /nfs/dbraw/zinc/32/02/58/1135320258.db2.gz YFUKDPNOJOZAAK-AGIUHOORSA-N 2 0 341.456 -0.393 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001370715257 1135538171 /nfs/dbraw/zinc/53/81/71/1135538171.db2.gz IHPPJNPQFYHLLB-SDDRHHMPSA-N 2 0 325.413 -0.979 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001370743583 1135580693 /nfs/dbraw/zinc/58/06/93/1135580693.db2.gz LOUNAZNQORGTDU-UONOGXRCSA-N 2 0 328.457 -0.594 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001370994904 1135748665 /nfs/dbraw/zinc/74/86/65/1135748665.db2.gz JULXLEZQLOBCFX-CABCVRRESA-N 2 0 342.484 -0.254 20 0 EBADRP CN(C[C@@H](O)CNC(=O)CC[NH+](C)C)C(=O)C1CC[NH+](C)CC1 ZINC001371005295 1135763321 /nfs/dbraw/zinc/76/33/21/1135763321.db2.gz URDIUGSYVAWAND-AWEZNQCLSA-N 2 0 328.457 -0.785 20 0 EBADRP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC(=O)N1CCOCC1 ZINC001371180999 1135857484 /nfs/dbraw/zinc/85/74/84/1135857484.db2.gz VGXFBBMZBMRYEP-HIFRSBDPSA-N 2 0 338.452 -0.719 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001371198761 1135862820 /nfs/dbraw/zinc/86/28/20/1135862820.db2.gz BCUQRJCQGRSMOQ-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001371215047 1135866237 /nfs/dbraw/zinc/86/62/37/1135866237.db2.gz WLKHSESHQWRVGI-AAEUAGOBSA-N 2 0 329.445 -0.487 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCN(C)S(C)(=O)=O ZINC001371240746 1135870529 /nfs/dbraw/zinc/87/05/29/1135870529.db2.gz QCUNCJNFVQFMEE-QWHCGFSZSA-N 2 0 334.486 -0.544 20 0 EBADRP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCN1CCCS1(=O)=O ZINC001371244938 1135871494 /nfs/dbraw/zinc/87/14/94/1135871494.db2.gz VNPHOJLJZRYCAF-KBPBESRZSA-N 2 0 346.497 -0.400 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001371463718 1135924318 /nfs/dbraw/zinc/92/43/18/1135924318.db2.gz ZWPFSQCSPUDQNG-QLFBSQMISA-N 2 0 342.484 -0.254 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001371472308 1135929723 /nfs/dbraw/zinc/92/97/23/1135929723.db2.gz HLTUABHUXGQIRN-OLZOCXBDSA-N 2 0 341.456 -0.199 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CCc2ncc[nH]2)C[C@H]1O ZINC001371479334 1135933138 /nfs/dbraw/zinc/93/31/38/1135933138.db2.gz RMJZEIYCNFJUJT-CHWSQXEVSA-N 2 0 337.424 -0.628 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NC(=O)NC)C2)CC[N@@H+]1C ZINC001371512813 1135942355 /nfs/dbraw/zinc/94/23/55/1135942355.db2.gz NSQBCGCPKJPFBO-RWMBFGLXSA-N 2 0 339.440 -0.637 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)Cc2c[nH]cn2)[C@H](OC)C1 ZINC001371516664 1135944681 /nfs/dbraw/zinc/94/46/81/1135944681.db2.gz AKOORHAHWCHYFT-ZIAGYGMSSA-N 2 0 337.424 -0.364 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC[C@H]2C)C[C@@H]1O ZINC001371536840 1135960226 /nfs/dbraw/zinc/96/02/26/1135960226.db2.gz KHODIOCDLHZARL-KFWWJZLASA-N 2 0 340.468 -0.500 20 0 EBADRP O=C(N1CC[C@@H](C[NH2+]C[C@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001371639440 1135990098 /nfs/dbraw/zinc/99/00/98/1135990098.db2.gz VJZKAHPOALGOOV-HOTGVXAUSA-N 2 0 347.463 -0.222 20 0 EBADRP C[C@@H](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001371768508 1136017132 /nfs/dbraw/zinc/01/71/32/1136017132.db2.gz GFGWRRWZCALZDG-STQMWFEESA-N 2 0 338.456 -0.033 20 0 EBADRP C[NH+](C)CCC(=O)NCCN1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001372222402 1136144726 /nfs/dbraw/zinc/14/47/26/1136144726.db2.gz VJBRGYKNXUKNBO-HNNXBMFYSA-N 2 0 339.484 -0.850 20 0 EBADRP CCCNC(=O)CN1CCC[C@@H]1CNC(=O)[C@H]1CN(CC)CCO1 ZINC001372573027 1136236215 /nfs/dbraw/zinc/23/62/15/1136236215.db2.gz FFOWDKTWCWCEJS-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)C1)[NH+](C)C ZINC001372601186 1136242476 /nfs/dbraw/zinc/24/24/76/1136242476.db2.gz AWHKGGJXMKOFKL-LXTVHRRPSA-N 2 0 340.468 -0.333 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@H]2CC[N@H+](CC(=O)NC(N)=O)C2)CCC1 ZINC001372612636 1136246669 /nfs/dbraw/zinc/24/66/69/1136246669.db2.gz FMMUYBMZFBDWSU-LLVKDONJSA-N 2 0 325.413 -0.896 20 0 EBADRP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)NC(=O)NC1CC1 ZINC001372926649 1136328485 /nfs/dbraw/zinc/32/84/85/1136328485.db2.gz SMJPFVNQVMLUSY-AAEUAGOBSA-N 2 0 339.440 -0.495 20 0 EBADRP C[C@H]([NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1)C(=O)NC(N)=O ZINC001372947737 1136334986 /nfs/dbraw/zinc/33/49/86/1136334986.db2.gz IFFRATIYVLZFJT-NSHDSACASA-N 2 0 327.429 -0.508 20 0 EBADRP C[N@H+](CCN1CCNC1=O)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001373312017 1136425854 /nfs/dbraw/zinc/42/58/54/1136425854.db2.gz KOEFHAIKYPODQR-GJZGRUSLSA-N 2 0 337.468 -0.256 20 0 EBADRP CC[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001373796417 1136562293 /nfs/dbraw/zinc/56/22/93/1136562293.db2.gz MVTVPTQALADARM-OLZOCXBDSA-N 2 0 338.456 -0.033 20 0 EBADRP C[C@H](CNC(=O)[C@@H]1CCc2nccn2C1)C[NH2+]Cc1nnnn1C ZINC001374041692 1136611983 /nfs/dbraw/zinc/61/19/83/1136611983.db2.gz XWGOACKVDNIPMJ-NWDGAFQWSA-N 2 0 332.412 -0.489 20 0 EBADRP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)C[NH2+]CC(=O)NC(N)=O ZINC001374089151 1136620342 /nfs/dbraw/zinc/62/03/42/1136620342.db2.gz CRLFLFAIOPHISW-LBPRGKRZSA-N 2 0 327.429 -0.745 20 0 EBADRP C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001374397318 1136683076 /nfs/dbraw/zinc/68/30/76/1136683076.db2.gz REJQMBPWHROABT-OLZOCXBDSA-N 2 0 338.456 -0.223 20 0 EBADRP CCn1nnc(C)c1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001374606287 1136742238 /nfs/dbraw/zinc/74/22/38/1136742238.db2.gz SAGYGRTXKYTFSX-MGPQQGTHSA-N 2 0 338.456 -0.487 20 0 EBADRP CCN1CCO[C@@H](C(=O)N2CC(NC(=O)C[NH+](CC)CC)C2)C1 ZINC001374651126 1136775062 /nfs/dbraw/zinc/77/50/62/1136775062.db2.gz MQZTVBDHYAALJY-CQSZACIVSA-N 2 0 326.441 -0.624 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001374654620 1136777932 /nfs/dbraw/zinc/77/79/32/1136777932.db2.gz WFGQFUYIQYQZLR-UONOGXRCSA-N 2 0 338.452 -0.767 20 0 EBADRP CCn1nnc(C)c1C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374671944 1136790695 /nfs/dbraw/zinc/79/06/95/1136790695.db2.gz REOYNGHIFPDMRH-KGLIPLIRSA-N 2 0 338.456 -0.485 20 0 EBADRP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)C[NH+]2CCOCC2)on1 ZINC001374683763 1136799989 /nfs/dbraw/zinc/79/99/89/1136799989.db2.gz KAOSKMHFAFSGJG-JSGCOSHPSA-N 2 0 340.424 -0.482 20 0 EBADRP CCN(CC[NH2+][C@@H](C)C(=O)NC(N)=O)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001374706454 1136809061 /nfs/dbraw/zinc/80/90/61/1136809061.db2.gz WLSSGUGLPCNZRM-QWHCGFSZSA-N 2 0 341.456 -0.118 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001374780853 1136831027 /nfs/dbraw/zinc/83/10/27/1136831027.db2.gz SCJWUPSUHCSNTC-VXGBXAGGSA-N 2 0 339.440 -0.447 20 0 EBADRP C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001374787442 1136832831 /nfs/dbraw/zinc/83/28/31/1136832831.db2.gz XSAWDIHKMMFKQU-YPMHNXCESA-N 2 0 328.376 -0.136 20 0 EBADRP C[C@H](C[NH2+][C@@H](C)C(=O)NC1CC1)NC(=O)COC1CC[NH+](C)CC1 ZINC001374830739 1136844848 /nfs/dbraw/zinc/84/48/48/1136844848.db2.gz ZKOGBCAVQLYVQA-OLZOCXBDSA-N 2 0 340.468 -0.141 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1)NC(=O)CC[NH+](C)C ZINC001374931117 1136878525 /nfs/dbraw/zinc/87/85/25/1136878525.db2.gz ORDZJBNDJSJTKO-DZGCQCFKSA-N 2 0 340.468 -0.330 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001374931715 1136878796 /nfs/dbraw/zinc/87/87/96/1136878796.db2.gz RJBHXXPPYZGANP-QWRGUYRKSA-N 2 0 327.429 -0.733 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001374954122 1136882759 /nfs/dbraw/zinc/88/27/59/1136882759.db2.gz YQYQDGAYHGHVRR-NSHDSACASA-N 2 0 327.429 -0.604 20 0 EBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000643545230 375892748 /nfs/dbraw/zinc/89/27/48/375892748.db2.gz PQWKKBQNMMKVIH-LJISPDSOSA-N 2 0 338.452 -0.354 20 0 EBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC[C@@H]21 ZINC000643549867 375895989 /nfs/dbraw/zinc/89/59/89/375895989.db2.gz XYVXMRWJRHJDHT-FPCVCCKLSA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CCO1 ZINC000643552802 375897405 /nfs/dbraw/zinc/89/74/05/375897405.db2.gz KDWQROLSYYAVSX-OLZOCXBDSA-N 2 0 326.441 -0.496 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CCSC1 ZINC000642768754 376087631 /nfs/dbraw/zinc/08/76/31/376087631.db2.gz ANTJVSUJEXKECW-XEZPLFJOSA-N 2 0 340.493 -0.250 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CCSC1 ZINC000642768871 376088543 /nfs/dbraw/zinc/08/85/43/376088543.db2.gz MXEMNAXYHRFHSX-VLXAULBPSA-N 2 0 340.493 -0.264 20 0 EBADRP CC1[C@H](C(=O)N(C)CC2C[NH+](C)C2)[C@H]1C(=O)N(C)CC1C[NH+](C)C1 ZINC000618189207 376112650 /nfs/dbraw/zinc/11/26/50/376112650.db2.gz ZGEQWEPNMFNVQP-HOTGVXAUSA-N 2 0 336.480 -0.092 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCC(C)CC2)CCO1 ZINC000642732160 376055550 /nfs/dbraw/zinc/05/55/50/376055550.db2.gz JQDFAJOWAOIKKC-UONOGXRCSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC000642732128 376056601 /nfs/dbraw/zinc/05/66/01/376056601.db2.gz APHCACBUMWAHFH-MCIONIFRSA-N 2 0 326.441 -0.591 20 0 EBADRP CN1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)[C@H](C[NH3+])C1 ZINC000584043463 376061016 /nfs/dbraw/zinc/06/10/16/376061016.db2.gz XFBOTRPACNDGRU-HZSPNIEDSA-N 2 0 325.457 -0.923 20 0 EBADRP CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC[C@@H]1[NH3+] ZINC000642758121 376081424 /nfs/dbraw/zinc/08/14/24/376081424.db2.gz JVMKBSAJLURMPV-ILXRZTDVSA-N 2 0 340.468 -0.201 20 0 EBADRP CN1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000642789081 376153190 /nfs/dbraw/zinc/15/31/90/376153190.db2.gz PITWGYLWCJCAJG-HIFRSBDPSA-N 2 0 332.404 -0.525 20 0 EBADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000557246461 376168019 /nfs/dbraw/zinc/16/80/19/376168019.db2.gz KAOXBJLIGSYDQL-AWEZNQCLSA-N 2 0 325.457 -0.922 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000557614060 376186304 /nfs/dbraw/zinc/18/63/04/376186304.db2.gz JTYWLCIFSOYJAY-HUUCEWRRSA-N 2 0 338.452 -0.623 20 0 EBADRP COc1ccc(C[N@@H+]2CCCN(C(=O)CNC(=O)C[NH3+])CC2)cc1 ZINC000558163755 376227196 /nfs/dbraw/zinc/22/71/96/376227196.db2.gz IVACMMARTMUFCY-UHFFFAOYSA-N 2 0 334.420 -0.196 20 0 EBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CCO1 ZINC000642879143 376440613 /nfs/dbraw/zinc/44/06/13/376440613.db2.gz RSWSQVRNRHGHMI-ZIAGYGMSSA-N 2 0 340.468 -0.058 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCCCO1 ZINC000560315164 376676103 /nfs/dbraw/zinc/67/61/03/376676103.db2.gz PGAANVQUXHTNTI-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000564981573 376743429 /nfs/dbraw/zinc/74/34/29/376743429.db2.gz MSAFYDUGWAJOHE-STQMWFEESA-N 2 0 328.457 -0.466 20 0 EBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000564981570 376743626 /nfs/dbraw/zinc/74/36/26/376743626.db2.gz MSAFYDUGWAJOHE-OLZOCXBDSA-N 2 0 328.457 -0.466 20 0 EBADRP CN(CC1CCOCC1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000560637488 376754635 /nfs/dbraw/zinc/75/46/35/376754635.db2.gz NXHNDEHGWVODAT-UHFFFAOYSA-N 2 0 342.484 -0.177 20 0 EBADRP O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000642929572 376790700 /nfs/dbraw/zinc/79/07/00/376790700.db2.gz DFSSBWBQHXTYOY-CQSZACIVSA-N 2 0 331.420 -0.012 20 0 EBADRP C[C@H]1C[C@H](CO)CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000562949559 377055012 /nfs/dbraw/zinc/05/50/12/377055012.db2.gz NOEGJJSRGTWSHN-GJZGRUSLSA-N 2 0 342.484 -0.585 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C2(C[NH+](C)C)CC2)cn1 ZINC000635608563 377073553 /nfs/dbraw/zinc/07/35/53/377073553.db2.gz XLYVCOGUXBQBQK-UHFFFAOYSA-N 2 0 336.440 -0.159 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[C@@H]2CC[N@H+](C)C2)cn1 ZINC000635607943 377073735 /nfs/dbraw/zinc/07/37/35/377073735.db2.gz TXIURDNMYIQCHU-ZDUSSCGKSA-N 2 0 336.440 -0.159 20 0 EBADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1=O ZINC000635933059 377140996 /nfs/dbraw/zinc/14/09/96/377140996.db2.gz DNXPIFYOHMBEPK-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCN(CCC(=O)OC)C[C@H]1C ZINC000570164336 377216207 /nfs/dbraw/zinc/21/62/07/377216207.db2.gz PPAZVRMRQLYXOW-VXGBXAGGSA-N 2 0 329.397 -0.637 20 0 EBADRP C[NH+](C)CCN1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1=O ZINC000636120114 377234591 /nfs/dbraw/zinc/23/45/91/377234591.db2.gz NCHIZCZSQGUAIS-UHFFFAOYSA-N 2 0 340.468 -0.423 20 0 EBADRP C[C@@H]1[NH2+]CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)[C@H]1C ZINC000262743792 377395347 /nfs/dbraw/zinc/39/53/47/377395347.db2.gz FJFBGRSOFOZFNN-SOUVJXGZSA-N 2 0 338.452 -0.624 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000636486012 377423254 /nfs/dbraw/zinc/42/32/54/377423254.db2.gz DAOCVFWPMARMEV-CABCVRRESA-N 2 0 328.457 -0.291 20 0 EBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000642986985 377441140 /nfs/dbraw/zinc/44/11/40/377441140.db2.gz ZHBNHEOMZLMDLX-ZFWWWQNUSA-N 2 0 331.420 -0.156 20 0 EBADRP CN(C)C(=O)N[C@H]1CCCN([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000565292030 377449823 /nfs/dbraw/zinc/44/98/23/377449823.db2.gz ZNFAHGPKICVJET-STQMWFEESA-N 2 0 339.440 -0.589 20 0 EBADRP [NH3+][C@H]1C[C@@H]2CN(S(=O)(=O)CCC[NH+]3CCCC3)CCN2C1=O ZINC000601342254 377529071 /nfs/dbraw/zinc/52/90/71/377529071.db2.gz ANGRMXCKEQKCMP-OLZOCXBDSA-N 2 0 330.454 -0.954 20 0 EBADRP CC(C)[C@@H](CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)[NH+]1CCN(C)CC1 ZINC000636524633 377552450 /nfs/dbraw/zinc/55/24/50/377552450.db2.gz RFCDEOHPTMCVLG-HZPDHXFCSA-N 2 0 341.500 -0.376 20 0 EBADRP O=C(NCC[N@@H+]1CCCOCC1)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000364737879 377655355 /nfs/dbraw/zinc/65/53/55/377655355.db2.gz TTXXLWLJMPDVEQ-HUUCEWRRSA-N 2 0 326.441 -0.129 20 0 EBADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCC(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000592984047 377867059 /nfs/dbraw/zinc/86/70/59/377867059.db2.gz DYXVXKSHEFGKOM-KRWDZBQOSA-N 3 0 337.512 -0.091 20 0 EBADRP NC(=O)C1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000597731041 378130614 /nfs/dbraw/zinc/13/06/14/378130614.db2.gz XHWCFGCWZKLXHZ-UHFFFAOYSA-N 2 0 331.420 -0.025 20 0 EBADRP COC(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)on1 ZINC000599237471 378212172 /nfs/dbraw/zinc/21/21/72/378212172.db2.gz UMDYPHKLMVLLBA-UHFFFAOYSA-N 2 0 348.425 -0.425 20 0 EBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCC[NH+]3CC[C@H](O)C3)C2)CC1 ZINC000636792005 378397555 /nfs/dbraw/zinc/39/75/55/378397555.db2.gz NSPOZJAOHVASPV-ZBFHGGJFSA-N 2 0 339.484 -0.479 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000636844631 378413757 /nfs/dbraw/zinc/41/37/57/378413757.db2.gz DEJWQRVGFQKXMA-JKSUJKDBSA-N 2 0 341.500 -0.374 20 0 EBADRP COC(=O)c1ccn(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000602898929 378376881 /nfs/dbraw/zinc/37/68/81/378376881.db2.gz NMERRXUURYLDOI-UHFFFAOYSA-N 2 0 325.413 -0.379 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@H](C2CC2)C1 ZINC000563147704 378453612 /nfs/dbraw/zinc/45/36/12/378453612.db2.gz VIMWPZUSPFXJBI-OAHLLOKOSA-N 2 0 340.468 -0.424 20 0 EBADRP C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604632560 378465250 /nfs/dbraw/zinc/46/52/50/378465250.db2.gz RJVVDCGHWDBXHF-MRXNPFEDSA-N 2 0 339.484 -0.214 20 0 EBADRP C[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000604643470 378467221 /nfs/dbraw/zinc/46/72/21/378467221.db2.gz MMBPYIVSEZSDQW-CVEARBPZSA-N 2 0 339.484 -0.214 20 0 EBADRP C[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000604643472 378467285 /nfs/dbraw/zinc/46/72/85/378467285.db2.gz MMBPYIVSEZSDQW-HZPDHXFCSA-N 2 0 339.484 -0.214 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000637129022 378499821 /nfs/dbraw/zinc/49/98/21/378499821.db2.gz DOXGZGZLMVLYEI-HUUCEWRRSA-N 2 0 340.468 -0.378 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000637129017 378499941 /nfs/dbraw/zinc/49/99/41/378499941.db2.gz DOXGZGZLMVLYEI-CABCVRRESA-N 2 0 340.468 -0.378 20 0 EBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@@]1(CC(=O)N[C@@H](C)C[C@H](C)[NH3+])CC[NH2+]C1 ZINC000563169174 378570930 /nfs/dbraw/zinc/57/09/30/378570930.db2.gz GPBLACVVRLDDEQ-RKWLLSJHSA-N 3 0 341.500 -0.160 20 0 EBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000337725840 378689165 /nfs/dbraw/zinc/68/91/65/378689165.db2.gz TWFXKEBJHHBZHV-HLLBOEOZSA-N 2 0 342.484 -0.024 20 0 EBADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CC[C@@](C)(C[NH3+])C1)c(=O)n2C ZINC000337748788 378691387 /nfs/dbraw/zinc/69/13/87/378691387.db2.gz HUYXMSNELVEAMR-INIZCTEOSA-N 2 0 334.424 -0.506 20 0 EBADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627470761 379034744 /nfs/dbraw/zinc/03/47/44/379034744.db2.gz YXVZITGPAJQBMU-ZDUSSCGKSA-N 2 0 326.441 -0.576 20 0 EBADRP O=C(CCNC(=O)N[C@H]1CC[NH2+]C1)N1CCN(c2ccccn2)CC1 ZINC000563457167 379028741 /nfs/dbraw/zinc/02/87/41/379028741.db2.gz JEYXMWRDYOUHLG-AWEZNQCLSA-N 2 0 346.435 -0.219 20 0 EBADRP COC[C@]1(CNC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)CCC[NH2+]1 ZINC000563601549 379051693 /nfs/dbraw/zinc/05/16/93/379051693.db2.gz XMFRPQHDGRAILH-SQWLQELKSA-N 2 0 328.457 -0.149 20 0 EBADRP C[NH+](C)CC1(CNC(=O)C(=O)NCC2([NH3+])CCOCC2)CCCC1 ZINC000627287721 379100113 /nfs/dbraw/zinc/10/01/13/379100113.db2.gz DESLNLCEJGBZRU-UHFFFAOYSA-N 2 0 340.468 -0.151 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000627287755 379101482 /nfs/dbraw/zinc/10/14/82/379101482.db2.gz DVLWLEMGVIDMKW-UHFFFAOYSA-N 2 0 328.457 -0.342 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000629795950 379138791 /nfs/dbraw/zinc/13/87/91/379138791.db2.gz NGNPKOSDVAMVCC-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000629793014 379138912 /nfs/dbraw/zinc/13/89/12/379138912.db2.gz BRYDMUHNKHWEAC-AWEZNQCLSA-N 2 0 326.441 -0.493 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCOCC[NH2+]C)[C@@H](C)C1 ZINC000629798162 379140724 /nfs/dbraw/zinc/14/07/24/379140724.db2.gz ISMFGUGOWQJNHN-GJZGRUSLSA-N 2 0 342.484 -0.131 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000629799135 379142942 /nfs/dbraw/zinc/14/29/42/379142942.db2.gz NHGHPFAEMFMHKH-UHFFFAOYSA-N 2 0 335.408 -0.454 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000629800860 379144006 /nfs/dbraw/zinc/14/40/06/379144006.db2.gz CHHXFPDWVOKRLI-AWEZNQCLSA-N 2 0 328.457 -0.247 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000627297755 379147097 /nfs/dbraw/zinc/14/70/97/379147097.db2.gz RTYNBUPULSNSIO-JKSUJKDBSA-N 2 0 348.447 -0.100 20 0 EBADRP CN(CCOCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCC[NH+]1C ZINC000619325605 379183631 /nfs/dbraw/zinc/18/36/31/379183631.db2.gz VCRGHQOAMREGND-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627300864 379219053 /nfs/dbraw/zinc/21/90/53/379219053.db2.gz NNXHDKBZULYQEL-BFHYXJOUSA-N 2 0 326.441 -0.674 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627302721 379233673 /nfs/dbraw/zinc/23/36/73/379233673.db2.gz WPGUSUZIDLPUCZ-OCCSQVGLSA-N 2 0 326.441 -0.530 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCCN1CCOCC1 ZINC000607224572 379243641 /nfs/dbraw/zinc/24/36/41/379243641.db2.gz OOQBYSPXKJBURX-UHFFFAOYSA-N 2 0 329.489 -0.157 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000627305772 379279558 /nfs/dbraw/zinc/27/95/58/379279558.db2.gz HBVALWISSRXICR-UHFFFAOYSA-N 2 0 337.424 -0.555 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000627323866 379328699 /nfs/dbraw/zinc/32/86/99/379328699.db2.gz JFPKFJUSWXOSFR-UHFFFAOYSA-N 2 0 348.451 -0.743 20 0 EBADRP C[NH+](C)CC[C@H](NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)C(C)(C)C ZINC000627326254 379332019 /nfs/dbraw/zinc/33/20/19/379332019.db2.gz KQIZMTHASIMURR-OLZOCXBDSA-N 2 0 328.457 -0.426 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000627311567 379301449 /nfs/dbraw/zinc/30/14/49/379301449.db2.gz BZCWXUOUMSYANA-RBSFLKMASA-N 2 0 342.484 -0.179 20 0 EBADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627332824 379344090 /nfs/dbraw/zinc/34/40/90/379344090.db2.gz KZAXZEKEZXIJKN-LSDHHAIUSA-N 2 0 340.468 -0.138 20 0 EBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000269297651 379357459 /nfs/dbraw/zinc/35/74/59/379357459.db2.gz ORSLKOYNAYIXQQ-HOTGVXAUSA-N 3 0 333.436 -0.567 20 0 EBADRP CNC(=O)NCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000270509958 379454248 /nfs/dbraw/zinc/45/42/48/379454248.db2.gz OENJEQWLNPFFBG-UHFFFAOYSA-N 2 0 334.424 -0.361 20 0 EBADRP Cn1cnc2c1c(=O)n(CCC[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)c(=O)n2C ZINC000641801192 379472601 /nfs/dbraw/zinc/47/26/01/379472601.db2.gz AYPLDQRYPBCKMS-WDEREUQCSA-N 2 0 334.424 -0.461 20 0 EBADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1nc(N)[nH+]c(N)n1 ZINC000624125989 379510637 /nfs/dbraw/zinc/51/06/37/379510637.db2.gz TVJXZNDRWQOULX-INIZCTEOSA-N 2 0 329.408 -0.230 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000627398829 379582991 /nfs/dbraw/zinc/58/29/91/379582991.db2.gz XSEWVTSVLGUFOK-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000627430339 379594558 /nfs/dbraw/zinc/59/45/58/379594558.db2.gz UFPYMCCGSLIGJI-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[NH2+]1 ZINC000627428851 379594938 /nfs/dbraw/zinc/59/49/38/379594938.db2.gz QASZWLXDENGZFO-VHDGCEQUSA-N 2 0 338.452 -0.387 20 0 EBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627428631 379595063 /nfs/dbraw/zinc/59/50/63/379595063.db2.gz KSJCZEWPQVEGAA-CQSZACIVSA-N 2 0 340.468 -0.153 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627442018 379599198 /nfs/dbraw/zinc/59/91/98/379599198.db2.gz ZJAYEIVKUMYCLJ-ZDUSSCGKSA-N 2 0 326.441 -0.576 20 0 EBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627363749 379565110 /nfs/dbraw/zinc/56/51/10/379565110.db2.gz WFGFQFCYFCMYRT-AWEZNQCLSA-N 2 0 338.452 -0.384 20 0 EBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C[NH2+]1 ZINC000627363272 379565961 /nfs/dbraw/zinc/56/59/61/379565961.db2.gz KBLGUQQPOMLLQL-ZIAGYGMSSA-N 2 0 326.441 -0.528 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)NCC1([NH3+])CCOCC1)C1CCCC1 ZINC000627385362 379577226 /nfs/dbraw/zinc/57/72/26/379577226.db2.gz IMFKBBSXXWKQGC-UHFFFAOYSA-N 2 0 326.441 -0.399 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000627499025 379644046 /nfs/dbraw/zinc/64/40/46/379644046.db2.gz WMZPQFZORBKCSO-VNHYZAJKSA-N 2 0 338.452 -0.435 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000627502176 379644965 /nfs/dbraw/zinc/64/49/65/379644965.db2.gz MYSHJGWUWJFZHZ-RFQIPJPRSA-N 2 0 326.441 -0.532 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCOCC[NH2+]C)[C@@H](C)C1 ZINC000627462527 379610948 /nfs/dbraw/zinc/61/09/48/379610948.db2.gz VXSSCTADHWBBRA-KBPBESRZSA-N 2 0 328.457 -0.473 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000627464537 379615484 /nfs/dbraw/zinc/61/54/84/379615484.db2.gz FBUADIHPRIXQBV-UONOGXRCSA-N 2 0 328.457 -0.425 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000627470156 379618063 /nfs/dbraw/zinc/61/80/63/379618063.db2.gz MKVJRNWTGHXNEJ-CABCVRRESA-N 2 0 338.452 -0.432 20 0 EBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627475031 379624260 /nfs/dbraw/zinc/62/42/60/379624260.db2.gz DHDYQVRJYANZII-CYBMUJFWSA-N 2 0 326.441 -0.576 20 0 EBADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627474969 379625457 /nfs/dbraw/zinc/62/54/57/379625457.db2.gz CIUYHPMXTFLYEF-HUUCEWRRSA-N 2 0 338.452 -0.719 20 0 EBADRP Cn1cc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)c(=O)n(C)c1=O ZINC000631230865 379736812 /nfs/dbraw/zinc/73/68/12/379736812.db2.gz ZVZQHPVKLYTZQW-UHFFFAOYSA-N 2 0 344.419 -0.157 20 0 EBADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631945374 379789499 /nfs/dbraw/zinc/78/94/99/379789499.db2.gz WZKITMLUWJUFPX-RRFJBIMHSA-N 2 0 347.481 -0.477 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CCO1 ZINC000631953818 379791006 /nfs/dbraw/zinc/79/10/06/379791006.db2.gz SRHNINFXCJTNMI-ZIAGYGMSSA-N 2 0 335.470 -0.653 20 0 EBADRP [NH3+][C@H](CCNS(=O)(=O)C[C@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000631963752 379794145 /nfs/dbraw/zinc/79/41/45/379794145.db2.gz KMQZHHZVXSFERV-HUUCEWRRSA-N 2 0 327.450 -0.146 20 0 EBADRP C[NH+](C)CCCS(=O)(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000631975904 379796238 /nfs/dbraw/zinc/79/62/38/379796238.db2.gz MKDOOVDUWBEXHK-HNNXBMFYSA-N 2 0 332.514 -0.020 20 0 EBADRP C[NH2+]CCOCCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000627091793 379803009 /nfs/dbraw/zinc/80/30/09/379803009.db2.gz XTAWDPYXZRZJFV-LLVKDONJSA-N 2 0 341.378 -0.642 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2CC[NH2+]CC2(C)C)CC1 ZINC000631943356 379758352 /nfs/dbraw/zinc/75/83/52/379758352.db2.gz ULMDIPCOJPVRJF-AWEZNQCLSA-N 2 0 332.514 -0.069 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NS(=O)(=O)CCC[NH+](C)C)CC1 ZINC000631952800 379762150 /nfs/dbraw/zinc/76/21/50/379762150.db2.gz TUGRLORXURLFEN-UHFFFAOYSA-N 2 0 348.513 -0.152 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000626963697 379765984 /nfs/dbraw/zinc/76/59/84/379765984.db2.gz AGPRPIXLTAISNG-KGLIPLIRSA-N 2 0 341.456 -0.783 20 0 EBADRP CC[N@@H+]1CCCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000631903260 379770775 /nfs/dbraw/zinc/77/07/75/379770775.db2.gz CYMBUOORDYPJAZ-UHFFFAOYSA-N 2 0 332.514 -0.019 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000631927974 379783596 /nfs/dbraw/zinc/78/35/96/379783596.db2.gz NRDZDQITRNVDGC-OAHLLOKOSA-N 2 0 332.514 -0.115 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000631938890 379787961 /nfs/dbraw/zinc/78/79/61/379787961.db2.gz OQWWNBJBXOSNHK-GJZGRUSLSA-N 2 0 330.498 -0.363 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C[NH2+]1 ZINC000627210126 379838796 /nfs/dbraw/zinc/83/87/96/379838796.db2.gz MMQKQOPPLRRPFL-KGLIPLIRSA-N 2 0 338.456 -0.521 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCOCC[NH2+]C)CC1 ZINC000627177208 379822620 /nfs/dbraw/zinc/82/26/20/379822620.db2.gz FHVFFARUROCWIU-UHFFFAOYSA-N 2 0 343.472 -0.582 20 0 EBADRP CN1CC[NH+](CCC(C)(C)NC(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627190177 379827293 /nfs/dbraw/zinc/82/72/93/379827293.db2.gz XSCHFZOMNHWVHY-CQSZACIVSA-N 2 0 327.473 -0.310 20 0 EBADRP COC[C@@H](CNC(=O)C1([NH+](C)C)CC1)NC(=O)C1([NH+](C)C)CC1 ZINC000613789992 379879623 /nfs/dbraw/zinc/87/96/23/379879623.db2.gz YWARMGBKSQNWKA-GFCCVEGCSA-N 2 0 326.441 -0.578 20 0 EBADRP CC[C@H](C(=O)NC1(CNC(=O)[C@H](CC)[NH+](C)C)COC1)[NH+](C)C ZINC000633917865 379979590 /nfs/dbraw/zinc/97/95/90/379979590.db2.gz XZOZCSIYWDYQJW-QWHCGFSZSA-N 2 0 328.457 -0.332 20 0 EBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000633116079 379943807 /nfs/dbraw/zinc/94/38/07/379943807.db2.gz ORWYVCPBSHZXIW-DZGCQCFKSA-N 2 0 338.452 -0.495 20 0 EBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000633118222 379945886 /nfs/dbraw/zinc/94/58/86/379945886.db2.gz NZWFQGJGYHVWQA-UONOGXRCSA-N 2 0 340.468 -0.106 20 0 EBADRP COC1(C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC[NH2+]CC1 ZINC000634288558 379992764 /nfs/dbraw/zinc/99/27/64/379992764.db2.gz HYKJGNXFRIHKTM-CYBMUJFWSA-N 2 0 326.441 -0.399 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](CO)C[NH+](C)C)CC1=O ZINC000614855301 379999308 /nfs/dbraw/zinc/99/93/08/379999308.db2.gz XAXVKNSBYUQCGN-RBSFLKMASA-N 2 0 340.468 -0.642 20 0 EBADRP C(CC[N@@H+]1CCN2CCOC[C@@H]2C1)C[NH+]1CCN2CCOC[C@@H]2C1 ZINC000543559625 380063739 /nfs/dbraw/zinc/06/37/39/380063739.db2.gz RHBMIQFCRCWQOS-ROUUACIJSA-N 2 0 338.496 -0.201 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000354673859 380077780 /nfs/dbraw/zinc/07/77/80/380077780.db2.gz LEQRVLXHYJPQLL-KFWWJZLASA-N 2 0 340.468 -0.140 20 0 EBADRP COCC[NH+]1CCC(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000354703612 380086038 /nfs/dbraw/zinc/08/60/38/380086038.db2.gz ZTIBVAUDWQWNJT-AWEZNQCLSA-N 2 0 326.441 -0.528 20 0 EBADRP COC(=O)CNC(=O)CC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355057988 380136715 /nfs/dbraw/zinc/13/67/15/380136715.db2.gz CMSSMZDDFVTNLF-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCn1c2cc(NC(=O)CN3CC[NH2+]CC3)ccc2oc1=O ZINC000638089573 380115515 /nfs/dbraw/zinc/11/55/15/380115515.db2.gz BMJCBEVELMGYGB-UHFFFAOYSA-N 2 0 347.419 0.000 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638098972 380131085 /nfs/dbraw/zinc/13/10/85/380131085.db2.gz QVLFXSINPYUIMF-WMLDXEAASA-N 2 0 340.468 -0.234 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H](C)C1=CC[NH+](C)CC1 ZINC000286187223 380291579 /nfs/dbraw/zinc/29/15/79/380291579.db2.gz XGQMOCGSHLTEJI-CYBMUJFWSA-N 2 0 326.441 -0.553 20 0 EBADRP COCCOCC[N@H+](C)CCC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000638240287 380305144 /nfs/dbraw/zinc/30/51/44/380305144.db2.gz IKRMRWGIJXCXTI-INIZCTEOSA-N 2 0 342.484 -0.523 20 0 EBADRP CN(C)c1ncc(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)n1C ZINC000565948871 380439652 /nfs/dbraw/zinc/43/96/52/380439652.db2.gz JCMQOJKHQFRTDU-NSHDSACASA-N 2 0 332.412 -0.240 20 0 EBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638497022 380488495 /nfs/dbraw/zinc/48/84/95/380488495.db2.gz YLKRECCQZWGJNS-GXFFZTMASA-N 2 0 336.358 -0.016 20 0 EBADRP CO[C@@H](C[NH3+])C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000290196900 380462502 /nfs/dbraw/zinc/46/25/02/380462502.db2.gz QWEJLFHWYRRKBI-HOTGVXAUSA-N 2 0 348.447 -0.026 20 0 EBADRP C[C@@H]1[C@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)CCC[N@@H+]1C ZINC000340352370 380470648 /nfs/dbraw/zinc/47/06/48/380470648.db2.gz UUOCFBCLRPFPRR-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP [NH3+]CC(=O)NCC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000567611807 380530227 /nfs/dbraw/zinc/53/02/27/380530227.db2.gz MRMTVJHGADTTMK-UHFFFAOYSA-N 3 0 333.436 -0.829 20 0 EBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000567801355 380544215 /nfs/dbraw/zinc/54/42/15/380544215.db2.gz YCHNZGYXTFWWNC-HUUCEWRRSA-N 2 0 348.451 -0.123 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000340569592 380547518 /nfs/dbraw/zinc/54/75/18/380547518.db2.gz CEUWBRWUGQUSQD-ZFWWWQNUSA-N 2 0 340.468 -0.330 20 0 EBADRP COCC[NH2+]CC(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000567882878 380556360 /nfs/dbraw/zinc/55/63/60/380556360.db2.gz FGIIQLMGNNLHLO-UHFFFAOYSA-N 2 0 330.410 -0.902 20 0 EBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3[NH2+]CCc4ccccc43)CCN2C1=O ZINC000568287771 380592890 /nfs/dbraw/zinc/59/28/90/380592890.db2.gz JPWSRTGWJIYJFP-IMJJTQAJSA-N 2 0 343.431 -0.173 20 0 EBADRP O=C(C(=O)N1CCNC[C@@H]1c1cccnc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000568381945 380598380 /nfs/dbraw/zinc/59/83/80/380598380.db2.gz ZMJCINOHYXWWGC-HZPDHXFCSA-N 2 0 343.431 -0.139 20 0 EBADRP CSCC[C@@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000569004008 380626122 /nfs/dbraw/zinc/62/61/22/380626122.db2.gz XSFALMDPPCZVIJ-GFCCVEGCSA-N 2 0 346.478 -0.058 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)C[NH+]1CCCC1 ZINC000340769925 380628059 /nfs/dbraw/zinc/62/80/59/380628059.db2.gz MQDWLQZTEBJBFF-LSDHHAIUSA-N 2 0 339.484 -0.804 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)C[C@]1(C(=O)NC[C@@H]([NH3+])C(C)C)CC[NH2+]C1 ZINC000573207901 380663254 /nfs/dbraw/zinc/66/32/54/380663254.db2.gz ROWXMCHESDXWIH-CKEIUWERSA-N 3 0 341.500 -0.445 20 0 EBADRP C[C@@H]1CC[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)O1 ZINC000573234668 380665568 /nfs/dbraw/zinc/66/55/68/380665568.db2.gz DUHNFVMMZQSGRL-ZIAGYGMSSA-N 2 0 328.457 -0.378 20 0 EBADRP COC(=O)CNC(=O)CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000371635210 380666803 /nfs/dbraw/zinc/66/68/03/380666803.db2.gz TZGUVWOANCJXES-UHFFFAOYSA-N 2 0 327.425 -0.290 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)Cc1nccn1C ZINC000341561925 380710537 /nfs/dbraw/zinc/71/05/37/380710537.db2.gz JFDKFULVBWUCAS-CYBMUJFWSA-N 2 0 337.424 -0.395 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000576040584 380755374 /nfs/dbraw/zinc/75/53/74/380755374.db2.gz LXIAQSIVHMWHMB-UONOGXRCSA-N 2 0 340.468 -0.201 20 0 EBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638784022 380756132 /nfs/dbraw/zinc/75/61/32/380756132.db2.gz QRBVTYVHMLHAHM-HUUCEWRRSA-N 2 0 338.452 -0.528 20 0 EBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000576123240 380758668 /nfs/dbraw/zinc/75/86/68/380758668.db2.gz ALFQPRXODSMNEC-ZIAGYGMSSA-N 2 0 326.441 -0.591 20 0 EBADRP COCC[N@H+](C)CC[C@H](NC(=O)C(=O)NC1C[NH2+]C1)c1ccccc1 ZINC000576135477 380758755 /nfs/dbraw/zinc/75/87/55/380758755.db2.gz PDJCTXNCNFDDNY-INIZCTEOSA-N 2 0 348.447 -0.100 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH+](C)[C@@H]1C ZINC000341529257 380711996 /nfs/dbraw/zinc/71/19/96/380711996.db2.gz VTJRKZUKDRQYEM-KFWWJZLASA-N 2 0 340.468 -0.188 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)CC[NH+](C)C1CC1 ZINC000341531678 380713902 /nfs/dbraw/zinc/71/39/02/380713902.db2.gz LUTBKZAZRXUBIW-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000341550522 380718465 /nfs/dbraw/zinc/71/84/65/380718465.db2.gz SUAQREWLIZKYHL-QLFBSQMISA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000627425393 380734711 /nfs/dbraw/zinc/73/47/11/380734711.db2.gz OINKZZIPEKTIDB-SEBNEYGDSA-N 2 0 340.468 -0.143 20 0 EBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)C[C@H]3CSCC[NH2+]3)CC2)C1=O ZINC000638855909 380773313 /nfs/dbraw/zinc/77/33/13/380773313.db2.gz ILDGTPAAAMWATF-KBPBESRZSA-N 2 0 340.493 -0.107 20 0 EBADRP CC(C)([NH3+])CNC(=O)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000627413842 380798394 /nfs/dbraw/zinc/79/83/94/380798394.db2.gz YEDAICKJXDNISQ-CQSZACIVSA-N 2 0 349.435 -0.748 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000577084738 380801754 /nfs/dbraw/zinc/80/17/54/380801754.db2.gz FZKKEETUDZHNRA-UONOGXRCSA-N 2 0 325.457 -0.922 20 0 EBADRP OC[C@H]1CC[N@H+](CCCCC[NH+]2CC[C@@H](CO)[C@@H](O)C2)C[C@@H]1O ZINC000577321083 380818282 /nfs/dbraw/zinc/81/82/82/380818282.db2.gz OUEXHSLVGDXSDM-YVSFHVDLSA-N 2 0 330.469 -0.493 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000417432141 380886833 /nfs/dbraw/zinc/88/68/33/380886833.db2.gz SHHYYVKUYCWQPQ-ZIAGYGMSSA-N 2 0 325.457 -0.020 20 0 EBADRP CCO[C@H]1C[C@]([NH3+])(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)C1(C)C ZINC000578234163 380916913 /nfs/dbraw/zinc/91/69/13/380916913.db2.gz OHNYVZFPTAKRSL-LRDDRELGSA-N 2 0 326.441 -0.591 20 0 EBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)NCCC[NH2+]Cc3cccnc3)CCN2C1=O ZINC000578339279 380922577 /nfs/dbraw/zinc/92/25/77/380922577.db2.gz BVNSIERJASNMSA-GJZGRUSLSA-N 2 0 346.435 -0.485 20 0 EBADRP O=C(C[C@@]1(C(=O)N2CCC[NH2+]CC2)CC[NH2+]C1)N1CCC[NH2+]CC1 ZINC000579355082 380984752 /nfs/dbraw/zinc/98/47/52/380984752.db2.gz OVZHWMZIVKTOOW-KRWDZBQOSA-N 3 0 337.468 -1.000 20 0 EBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000579735443 381012543 /nfs/dbraw/zinc/01/25/43/381012543.db2.gz CBTQUKGZHARRHL-KKUMJFAQSA-N 2 0 338.452 -0.651 20 0 EBADRP CN(Cc1ccccc1)C(=O)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000579582878 380999670 /nfs/dbraw/zinc/99/96/70/380999670.db2.gz RXWLNZWRWCLFSM-QGZVFWFLSA-N 2 0 334.464 -0.157 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000582606748 381052017 /nfs/dbraw/zinc/05/20/17/381052017.db2.gz UHMHHPHBTVVNQG-IHRRRGAJSA-N 2 0 327.473 -0.772 20 0 EBADRP CN(C[C@H]1CCCCO1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000582771343 381064914 /nfs/dbraw/zinc/06/49/14/381064914.db2.gz JSRWPIFKILLXLK-OAHLLOKOSA-N 2 0 342.484 -0.034 20 0 EBADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000582775173 381069075 /nfs/dbraw/zinc/06/90/75/381069075.db2.gz NBMXYZANKZZQET-ZDUSSCGKSA-N 2 0 325.457 -0.162 20 0 EBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000642431204 381092123 /nfs/dbraw/zinc/09/21/23/381092123.db2.gz WEVRVVXQKPNIPE-RBSFLKMASA-N 2 0 340.468 -0.058 20 0 EBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000642439962 381094471 /nfs/dbraw/zinc/09/44/71/381094471.db2.gz UAPBBXLPXPLJBG-UONOGXRCSA-N 2 0 326.441 -0.528 20 0 EBADRP CN(C)S(=O)(=O)CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000581858252 381104455 /nfs/dbraw/zinc/10/44/55/381104455.db2.gz KPRCADTYOTYKCD-UHFFFAOYSA-N 2 0 337.490 -0.987 20 0 EBADRP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000582002050 381146886 /nfs/dbraw/zinc/14/68/86/381146886.db2.gz CFMWDWDMGFKZNZ-CYBMUJFWSA-N 2 0 349.439 -0.204 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC(=O)NCCN1CCOCC1 ZINC000346935987 381151213 /nfs/dbraw/zinc/15/12/13/381151213.db2.gz OPGMPPUASOCHRE-OKILXGFUSA-N 2 0 326.441 -0.576 20 0 EBADRP Cc1[nH]c2ccnn2c(=O)c1CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000104190658 381186652 /nfs/dbraw/zinc/18/66/52/381186652.db2.gz YNFPBOGZTKSMEM-UHFFFAOYSA-N 2 0 348.451 -0.175 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCC(=O)N2CCCCCC2)CC1 ZINC000584715683 381203279 /nfs/dbraw/zinc/20/32/79/381203279.db2.gz YZAOHCKCWMLUQZ-MRXNPFEDSA-N 2 0 326.485 -0.023 20 0 EBADRP COC[C@@]1(CNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CCC[NH2+]1 ZINC000418633699 381252459 /nfs/dbraw/zinc/25/24/59/381252459.db2.gz IMZJRTNGBLFWJD-ZBFHGGJFSA-N 2 0 328.457 -0.099 20 0 EBADRP CC1CC[NH+](C[C@H](O)CNC(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000418760234 381262615 /nfs/dbraw/zinc/26/26/15/381262615.db2.gz JWKIRLTXNJAJOV-LSDHHAIUSA-N 2 0 327.473 -0.718 20 0 EBADRP CCC[NH2+]CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000418478878 381241223 /nfs/dbraw/zinc/24/12/23/381241223.db2.gz XUVJJHOHULCYNM-AWEZNQCLSA-N 2 0 325.457 -0.066 20 0 EBADRP CC(C)(CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[NH+]1CCCCC1 ZINC000418828517 381289951 /nfs/dbraw/zinc/28/99/51/381289951.db2.gz FSLQIGUJORIBOR-CQSZACIVSA-N 2 0 340.468 -0.138 20 0 EBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C[N@@H+]1C1CC1 ZINC000347960492 381297885 /nfs/dbraw/zinc/29/78/85/381297885.db2.gz HHIDYZNMXGTZLW-UMVBOHGHSA-N 2 0 337.468 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ZINC000643478966 381328235 /nfs/dbraw/zinc/32/82/35/381328235.db2.gz WDSHQJSWAZEITM-DZGCQCFKSA-N 2 0 347.419 -0.695 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000418922813 381342267 /nfs/dbraw/zinc/34/22/67/381342267.db2.gz NCDVZJAVYPACPU-KBPBESRZSA-N 2 0 326.441 -0.687 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000418923372 381342443 /nfs/dbraw/zinc/34/24/43/381342443.db2.gz NLAFNRPCZHWNBO-ZIAGYGMSSA-N 2 0 328.457 -0.426 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CCCCCC1 ZINC000418900593 381335152 /nfs/dbraw/zinc/33/51/52/381335152.db2.gz MZRFBRWTNHMBOS-AWEZNQCLSA-N 2 0 340.468 -0.057 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418864415 381317041 /nfs/dbraw/zinc/31/70/41/381317041.db2.gz QLCKHUGCHWNGKZ-MRXNPFEDSA-N 2 0 348.447 -0.271 20 0 EBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000418917068 381346840 /nfs/dbraw/zinc/34/68/40/381346840.db2.gz 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C[C@H](C(=O)NCCN(C)CCC[NH+](C)C)n1cnc2c1ncnc2N ZINC000617761953 381964661 /nfs/dbraw/zinc/96/46/61/381964661.db2.gz CPAGKLUAUCRKNN-GFCCVEGCSA-N 2 0 348.455 -0.031 20 0 EBADRP CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632475626 382005563 /nfs/dbraw/zinc/00/55/63/382005563.db2.gz FNTABHBLLHOKIA-OAHLLOKOSA-N 2 0 332.514 -0.020 20 0 EBADRP C[C@@H](O)CN1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC000643512080 381976049 /nfs/dbraw/zinc/97/60/49/381976049.db2.gz IHACYDDWAPJRTG-TUVASFSCSA-N 2 0 338.452 -0.747 20 0 EBADRP CC[NH2+]CC1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000430591737 382021838 /nfs/dbraw/zinc/02/18/38/382021838.db2.gz BMCGYAJUILLQOG-UHFFFAOYSA-N 2 0 348.451 -0.245 20 0 EBADRP COC[C@H]([NH3+])C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000354067438 382200323 /nfs/dbraw/zinc/20/03/23/382200323.db2.gz AXHPWFCJZJUVFN-AWEZNQCLSA-N 2 0 336.440 -0.531 20 0 EBADRP CCN(C(=O)CN(C)CCOCC[NH2+]C)[C@H]1CCS(=O)(=O)C1 ZINC000629569201 382230657 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338.374 -0.341 20 0 EBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C[C@H](C)O1 ZINC000261735754 154199831 /nfs/dbraw/zinc/19/98/31/154199831.db2.gz NLAHRXGCZYRXRA-MJBXVCDLSA-N 2 0 326.441 -0.591 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000261753975 154200059 /nfs/dbraw/zinc/20/00/59/154200059.db2.gz LIWYTEMDJFBEDY-INIZCTEOSA-N 2 0 340.468 -0.247 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261808200 154202017 /nfs/dbraw/zinc/20/20/17/154202017.db2.gz VLWYTEDSDFSYTF-LBPRGKRZSA-N 2 0 327.429 -0.745 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C2([NH3+])CCOCC2)CC1 ZINC000261772671 154202238 /nfs/dbraw/zinc/20/22/38/154202238.db2.gz GTEZIUOYBLKKSO-UHFFFAOYSA-N 2 0 326.441 -0.493 20 0 EBADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262016234 154208392 /nfs/dbraw/zinc/20/83/92/154208392.db2.gz FVNFVXQTIUAIAC-HNNXBMFYSA-N 3 0 326.485 -0.167 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262041237 154209095 /nfs/dbraw/zinc/20/90/95/154209095.db2.gz HPWCYJYWTIXNJE-UHFFFAOYSA-N 2 0 339.484 -0.706 20 0 EBADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)CNC(=O)C[NH3+])cc2)C[C@H](C)O1 ZINC000262175350 154216911 /nfs/dbraw/zinc/21/69/11/154216911.db2.gz RDDZQKODEQQSEC-KBPBESRZSA-N 2 0 348.447 -0.013 20 0 EBADRP O=C(CC[N@@H+]1CCC[C@H]1C(=O)N1CCSCC1)N1CC[NH2+]CC1 ZINC000262275511 154221261 /nfs/dbraw/zinc/22/12/61/154221261.db2.gz YUJKXLPKDIDBCV-AWEZNQCLSA-N 2 0 340.493 -0.152 20 0 EBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000340352357 155855950 /nfs/dbraw/zinc/85/59/50/155855950.db2.gz UPFGAPISJPDNDH-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000343174136 156106338 /nfs/dbraw/zinc/10/63/38/156106338.db2.gz GPSUVCGGICELCH-LSDHHAIUSA-N 2 0 342.484 -0.083 20 0 EBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C1CC[NH+](C)CC1 ZINC000343790772 156167682 /nfs/dbraw/zinc/16/76/82/156167682.db2.gz WVQJNXBHLCUOQH-UHFFFAOYSA-N 2 0 340.468 -0.423 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](CCOC)C1 ZINC000343887615 156176799 /nfs/dbraw/zinc/17/67/99/156176799.db2.gz JSOAPPRJMMVLLY-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000357242194 157129799 /nfs/dbraw/zinc/12/97/99/157129799.db2.gz MDAZEPUHQPNLKB-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2cccc(-n3ccnc3)c2)C1 ZINC000358086436 157208101 /nfs/dbraw/zinc/20/81/01/157208101.db2.gz CMGKUWDHJYDCHC-KRWDZBQOSA-N 2 0 343.387 -0.006 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC[NH+](C)CCOC ZINC000358557576 157257196 /nfs/dbraw/zinc/25/71/96/157257196.db2.gz FEEPGWVDCWLBOS-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000358555721 157257520 /nfs/dbraw/zinc/25/75/20/157257520.db2.gz CAPIENJVOVSTPL-UHFFFAOYSA-N 2 0 340.468 -0.329 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000358556308 157259476 /nfs/dbraw/zinc/25/94/76/157259476.db2.gz HEMIWEVJBMJBTG-AWEZNQCLSA-N 2 0 342.484 -0.083 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000358573870 157264045 /nfs/dbraw/zinc/26/40/45/157264045.db2.gz SJNLMFYNNXZLOX-AWEZNQCLSA-N 2 0 326.441 -0.624 20 0 EBADRP C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccnn2CC[NH+](C)C)CC1=O ZINC000359491804 157327241 /nfs/dbraw/zinc/32/72/41/157327241.db2.gz OFEGVLPTJONKJW-ZDUSSCGKSA-N 2 0 336.440 -0.207 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000360277348 157372481 /nfs/dbraw/zinc/37/24/81/157372481.db2.gz BESPWWCGWQOPFE-UHFFFAOYSA-N 2 0 342.484 -0.129 20 0 EBADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CC[C@@]3(CC[NH2+]C3)C1)c(=O)n2C ZINC000360533659 157383972 /nfs/dbraw/zinc/38/39/72/157383972.db2.gz AYNNEEXGTZEMRJ-QGZVFWFLSA-N 2 0 346.435 -0.491 20 0 EBADRP C[C@H](O)C[N@@H+]1CCN(C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000337395446 545895910 /nfs/dbraw/zinc/89/59/10/545895910.db2.gz FQQUXUZPVJYALA-BPKGMFCQSA-N 2 0 329.485 -0.157 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000418923749 418945913 /nfs/dbraw/zinc/94/59/13/418945913.db2.gz OCTJAZFMAFJRNV-SOUVJXGZSA-N 2 0 340.468 -0.155 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419551279 419016583 /nfs/dbraw/zinc/01/65/83/419016583.db2.gz XJSZHOMCGQUHKV-MGPQQGTHSA-N 2 0 326.441 -0.401 20 0 EBADRP CN(Cc1ccccn1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000518332485 419023698 /nfs/dbraw/zinc/02/36/98/419023698.db2.gz KTJMGHCEBKLOLY-UHFFFAOYSA-N 2 0 335.452 -0.008 20 0 EBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(CCOC)CC[NH+](C)C)C1 ZINC000410500203 419034151 /nfs/dbraw/zinc/03/41/51/419034151.db2.gz AINURCHWMCRFRV-HNNXBMFYSA-N 2 0 342.484 -0.034 20 0 EBADRP C[NH2+]CCN(C)C(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000419213274 418983543 /nfs/dbraw/zinc/98/35/43/418983543.db2.gz LGJNHGLWKREMLI-UHFFFAOYSA-N 2 0 336.436 -0.079 20 0 EBADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@H](N)CC[NH+](C)C)cc1 ZINC000653119064 418990241 /nfs/dbraw/zinc/99/02/41/418990241.db2.gz ZKYQYVVWHXJAIQ-MRXNPFEDSA-N 2 0 349.479 -0.127 20 0 EBADRP C[NH+]1CCN(c2ccc(CNC(=O)[C@]34C[NH2+]C[C@H]3COC4)cn2)CC1 ZINC000653124400 418991913 /nfs/dbraw/zinc/99/19/13/418991913.db2.gz XUFJLXQRFASBQM-YJBOKZPZSA-N 2 0 345.447 -0.314 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662930570 419006941 /nfs/dbraw/zinc/00/69/41/419006941.db2.gz STYSFMQAUZTRJM-UHFFFAOYSA-N 2 0 340.468 -0.247 20 0 EBADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000628104963 419010939 /nfs/dbraw/zinc/01/09/39/419010939.db2.gz IWOLUTYDBSTOKI-HNNXBMFYSA-N 2 0 348.447 -0.088 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CCO1 ZINC000642800843 419011757 /nfs/dbraw/zinc/01/17/57/419011757.db2.gz XODPMGMRRDMVBM-QEJZJMRPSA-N 2 0 338.452 -0.306 20 0 EBADRP C[NH+](C)CCN1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1=O ZINC000650895873 419084760 /nfs/dbraw/zinc/08/47/60/419084760.db2.gz ISVHKMWHDARKJW-HNNXBMFYSA-N 2 0 337.468 -0.114 20 0 EBADRP COC(=O)CCN(C)S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000531146889 419109607 /nfs/dbraw/zinc/10/96/07/419109607.db2.gz WVCMRPMIHOZBEL-UHFFFAOYSA-N 2 0 338.474 -0.849 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000644598270 419171483 /nfs/dbraw/zinc/17/14/83/419171483.db2.gz ISMIYAWZWICTRU-IAGOWNOFSA-N 2 0 338.496 -0.025 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)C[C@H]1C[NH3+] ZINC000652666318 419246513 /nfs/dbraw/zinc/24/65/13/419246513.db2.gz DHPAEUGIIJXGPJ-ZIAGYGMSSA-N 2 0 340.468 -0.201 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H](CC)C[NH+]2CCCC2)C[C@H]1C[NH3+] ZINC000652674751 419248410 /nfs/dbraw/zinc/24/84/10/419248410.db2.gz FWOBLSBIJXVSLG-QLFBSQMISA-N 2 0 340.468 -0.201 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@H](CC)C[NH+]2CCCC2)C[C@H]1C[NH3+] ZINC000652674752 419248617 /nfs/dbraw/zinc/24/86/17/419248617.db2.gz FWOBLSBIJXVSLG-RBSFLKMASA-N 2 0 340.468 -0.201 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000652678026 419249689 /nfs/dbraw/zinc/24/96/89/419249689.db2.gz PWFYGQSDAOVXBW-HUUCEWRRSA-N 2 0 340.468 -0.343 20 0 EBADRP CC1(C)C[NH2+][C@H]1C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000647702948 419215891 /nfs/dbraw/zinc/21/58/91/419215891.db2.gz BYXMSIFGOFNIOT-LBPRGKRZSA-N 2 0 326.422 -0.140 20 0 EBADRP CCO[C@@H]1CN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C[C@H]1C[NH3+] ZINC000652159015 419228962 /nfs/dbraw/zinc/22/89/62/419228962.db2.gz PYJLWGUMEKNGIE-ARFHVFGLSA-N 2 0 341.500 -0.125 20 0 EBADRP CC[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[C@H]1[NH3+] ZINC000652623398 419241261 /nfs/dbraw/zinc/24/12/61/419241261.db2.gz HYIYIIPDCAMJQS-GXTWGEPZSA-N 2 0 336.440 -0.031 20 0 EBADRP CCCN(C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[C@H]1CC[NH2+]C1 ZINC000652621469 419241646 /nfs/dbraw/zinc/24/16/46/419241646.db2.gz LDPVNEOABDXCFA-AWEZNQCLSA-N 2 0 336.440 -0.016 20 0 EBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC000410730449 419274111 /nfs/dbraw/zinc/27/41/11/419274111.db2.gz BSAOUNBUGOUBMR-CQSZACIVSA-N 2 0 340.468 -0.282 20 0 EBADRP CO[C@@H]1COC[C@H]1NC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000645233700 419301024 /nfs/dbraw/zinc/30/10/24/419301024.db2.gz HUOOHZBHJCTTBI-NWANDNLSSA-N 2 0 326.441 -0.132 20 0 EBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000652704025 419301199 /nfs/dbraw/zinc/30/11/99/419301199.db2.gz DLXORTXMOLDNRY-AWEZNQCLSA-N 2 0 328.457 -0.425 20 0 EBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000652705991 419301522 /nfs/dbraw/zinc/30/15/22/419301522.db2.gz SKHBDGKWHOHOQX-CQSZACIVSA-N 2 0 327.473 -0.818 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645281534 419327910 /nfs/dbraw/zinc/32/79/10/419327910.db2.gz XVDIERHNMMZMHN-HNNXBMFYSA-N 2 0 339.484 -0.262 20 0 EBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279113586 419328107 /nfs/dbraw/zinc/32/81/07/419328107.db2.gz YUFTUYLEVWWNSK-FZMZJTMJSA-N 2 0 334.424 -0.444 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340484133 419361478 /nfs/dbraw/zinc/36/14/78/419361478.db2.gz NAWRGMOMYWIKIW-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP COC(=O)CC[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000342767028 419398334 /nfs/dbraw/zinc/39/83/34/419398334.db2.gz ZUUMBJCZLVDQDO-STQMWFEESA-N 2 0 342.440 -0.674 20 0 EBADRP CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000647997516 419462074 /nfs/dbraw/zinc/46/20/74/419462074.db2.gz JUSQVSMBRGALGH-CYBMUJFWSA-N 2 0 336.358 -0.191 20 0 EBADRP CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000519634967 419536970 /nfs/dbraw/zinc/53/69/70/419536970.db2.gz JQUZCVBIYCMHTA-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000349917318 419505745 /nfs/dbraw/zinc/50/57/45/419505745.db2.gz RQXZHULHDURLHY-HNNXBMFYSA-N 2 0 341.500 -0.374 20 0 EBADRP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)C(=O)NCC[NH+](C)C ZINC000520626662 419570339 /nfs/dbraw/zinc/57/03/39/419570339.db2.gz FPDLRUHRNPWAKY-ZFWWWQNUSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH+](C)CCN2C)CC[N@@H+]1CC(C)(C)O ZINC000333256879 419591142 /nfs/dbraw/zinc/59/11/42/419591142.db2.gz LJZXUSQGMCKQDC-HUUCEWRRSA-N 2 0 341.500 -0.281 20 0 EBADRP CC(C)[C@@H](CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)[NH+]1CCN(C)CC1 ZINC000358681801 419678082 /nfs/dbraw/zinc/67/80/82/419678082.db2.gz QBHXYYDXRDQUOX-WBVHZDCISA-N 2 0 341.500 -0.376 20 0 EBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@]2(F)CC[NH2+]C2)c1 ZINC000370265471 419710297 /nfs/dbraw/zinc/71/02/97/419710297.db2.gz HVZTYVUUZIZGMB-ZDUSSCGKSA-N 2 0 330.385 -0.436 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cn1 ZINC000645625047 419773142 /nfs/dbraw/zinc/77/31/42/419773142.db2.gz VGOAVBJEMUWKLU-OCCSQVGLSA-N 2 0 334.424 -0.454 20 0 EBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000659739597 419804748 /nfs/dbraw/zinc/80/47/48/419804748.db2.gz XNWRBRMWSUQUTN-AWEZNQCLSA-N 2 0 340.468 -0.057 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000420005145 419829204 /nfs/dbraw/zinc/82/92/04/419829204.db2.gz OWMQUVGOJKYVTQ-GFCCVEGCSA-N 2 0 335.408 -0.408 20 0 EBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000420025479 419839352 /nfs/dbraw/zinc/83/93/52/419839352.db2.gz ZXCLESHORFYMKK-HNNXBMFYSA-N 2 0 340.468 -0.343 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC[C@H]1[NH3+] ZINC000423205601 419923799 /nfs/dbraw/zinc/92/37/99/419923799.db2.gz FEEMWHRTDPKLEA-RBSFLKMASA-N 2 0 340.468 -0.249 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423260652 419925904 /nfs/dbraw/zinc/92/59/04/419925904.db2.gz HWKPBGUTORGLDR-UONOGXRCSA-N 2 0 326.441 -0.909 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423257831 419926257 /nfs/dbraw/zinc/92/62/57/419926257.db2.gz AHGHYBNHBGXLLD-ZIAGYGMSSA-N 2 0 328.457 -0.391 20 0 EBADRP CN1CC[NH+](CCC(C)(C)NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000514834864 419973192 /nfs/dbraw/zinc/97/31/92/419973192.db2.gz UUZCYFNZGVMWHY-INIZCTEOSA-N 2 0 337.512 -0.091 20 0 EBADRP C[C@@H](C(=O)NC[C@@H]1CSCCN1C(=O)[C@H](C)[NH+](C)C)[NH+](C)C ZINC000645956248 420529184 /nfs/dbraw/zinc/52/91/84/420529184.db2.gz XYTZXVAFGRFKGK-RWMBFGLXSA-N 2 0 330.498 -0.053 20 0 EBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000645959186 420529619 /nfs/dbraw/zinc/52/96/19/420529619.db2.gz FAEPIFVSIOSDGM-UONOGXRCSA-N 2 0 326.441 -0.936 20 0 EBADRP CC1CC[NH+](C[C@H](O)CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000645959185 420530299 /nfs/dbraw/zinc/53/02/99/420530299.db2.gz FAEPIFVSIOSDGM-KGLIPLIRSA-N 2 0 326.441 -0.936 20 0 EBADRP COC1CC[NH+](CCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000646181083 420539428 /nfs/dbraw/zinc/53/94/28/420539428.db2.gz UNIMKLOGXUHJAG-CQSZACIVSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC000648860282 420745501 /nfs/dbraw/zinc/74/55/01/420745501.db2.gz DQCNLSUPTXLJFF-UXXRCYHCSA-N 2 0 340.468 -0.740 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000529319249 420760879 /nfs/dbraw/zinc/76/08/79/420760879.db2.gz WHEUVKBVJQFUEP-ILXRZTDVSA-N 2 0 326.441 -0.348 20 0 EBADRP O=C(NC[C@H]1CCC[NH2+]C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529328314 420761777 /nfs/dbraw/zinc/76/17/77/420761777.db2.gz GFTDDOUUOOCQAN-AWEZNQCLSA-N 2 0 338.456 -0.662 20 0 EBADRP CN1CCC([NH+]2CCC(NC(=O)NC[C@@H]3COCC[NH2+]3)CC2)CC1 ZINC000529302576 420761887 /nfs/dbraw/zinc/76/18/87/420761887.db2.gz ZICMVMOQLRVCBA-OAHLLOKOSA-N 2 0 339.484 -0.167 20 0 EBADRP CN1CCC([NH+]2CCC(NC(=O)NC[C@H]3COCC[NH2+]3)CC2)CC1 ZINC000529302561 420762234 /nfs/dbraw/zinc/76/22/34/420762234.db2.gz ZICMVMOQLRVCBA-HNNXBMFYSA-N 2 0 339.484 -0.167 20 0 EBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000529344886 420763183 /nfs/dbraw/zinc/76/31/83/420763183.db2.gz UPIXYPCMNHKCFZ-KBPBESRZSA-N 2 0 338.456 -0.534 20 0 EBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000529344887 420763319 /nfs/dbraw/zinc/76/33/19/420763319.db2.gz UPIXYPCMNHKCFZ-KGLIPLIRSA-N 2 0 338.456 -0.534 20 0 EBADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529338285 420763634 /nfs/dbraw/zinc/76/36/34/420763634.db2.gz MMHWXVYNNPUDQG-KBPBESRZSA-N 2 0 338.456 -0.663 20 0 EBADRP O=C(NC[C@H]1CCCC[NH2+]1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529330461 420763843 /nfs/dbraw/zinc/76/38/43/420763843.db2.gz POYAMDLTNSFHDR-CQSZACIVSA-N 2 0 338.456 -0.519 20 0 EBADRP CC1([NH+]2CCOCC2)CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000529337840 420764068 /nfs/dbraw/zinc/76/40/68/420764068.db2.gz AHCUXLFJXUCYNU-AWEZNQCLSA-N 2 0 326.441 -0.129 20 0 EBADRP CC[N@H+](CCO)CCNC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000187093853 420708212 /nfs/dbraw/zinc/70/82/12/420708212.db2.gz KKVCCVVPOBKOAY-OAHLLOKOSA-N 2 0 330.473 -0.043 20 0 EBADRP COCC[NH2+]CC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000237176255 420734567 /nfs/dbraw/zinc/73/45/67/420734567.db2.gz RPAYEAFORSRICZ-UHFFFAOYSA-N 2 0 342.484 -0.035 20 0 EBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000649313287 420799021 /nfs/dbraw/zinc/79/90/21/420799021.db2.gz YPVLJSVEAILJOE-NEPJUHHUSA-N 2 0 332.395 -0.065 20 0 EBADRP [NH3+][C@H]1CCCCN(CC(=O)N2CC[NH+](C3CCOCC3)CC2)C1=O ZINC000649339532 420801614 /nfs/dbraw/zinc/80/16/14/420801614.db2.gz GUYZWJRCNKPOAU-HNNXBMFYSA-N 2 0 338.452 -0.351 20 0 EBADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000649419573 420808228 /nfs/dbraw/zinc/80/82/28/420808228.db2.gz WJOQPRNFLJGNFT-KRWDZBQOSA-N 2 0 337.512 -0.045 20 0 EBADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000649419574 420808453 /nfs/dbraw/zinc/80/84/53/420808453.db2.gz WJOQPRNFLJGNFT-QGZVFWFLSA-N 2 0 337.512 -0.045 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656024682 420867359 /nfs/dbraw/zinc/86/73/59/420867359.db2.gz SEFCTPAZSXVJSQ-ZUWCUPBKSA-N 2 0 328.457 -0.158 20 0 EBADRP CCN1C[C@H](C)N(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@@H]1C ZINC000656076661 420875084 /nfs/dbraw/zinc/87/50/84/420875084.db2.gz FNOZXIJPFYXBFL-ZQDZILKHSA-N 2 0 338.452 -0.795 20 0 EBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656082983 420877823 /nfs/dbraw/zinc/87/78/23/420877823.db2.gz BHWQYFFWVVYWED-SOUVJXGZSA-N 2 0 338.452 -0.747 20 0 EBADRP C[C@@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656153668 420882479 /nfs/dbraw/zinc/88/24/79/420882479.db2.gz ZNKBHGLVVQNBSL-NXOAAHMSSA-N 2 0 328.501 -0.318 20 0 EBADRP C[C@H](NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C1CC[NH+](C)CC1 ZINC000656307725 420887970 /nfs/dbraw/zinc/88/79/70/420887970.db2.gz RQHHPJKASPWZAY-AEGPPILISA-N 2 0 338.452 -0.890 20 0 EBADRP CN(CC1C[NH+](C)C1)C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000658522219 420958808 /nfs/dbraw/zinc/95/88/08/420958808.db2.gz NBTQUPGYLVBVCE-HNNXBMFYSA-N 2 0 340.468 -0.424 20 0 EBADRP COC[C@@]1(CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CCC[NH2+]1 ZINC000659542469 421004181 /nfs/dbraw/zinc/00/41/81/421004181.db2.gz PTTKTWINTFTYJK-INIZCTEOSA-N 2 0 343.472 -0.584 20 0 EBADRP CN1CCN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)[C@@H](C[NH3+])C1 ZINC000659609457 421005571 /nfs/dbraw/zinc/00/55/71/421005571.db2.gz WKSMCLCILXNNMY-CABCVRRESA-N 3 0 325.457 -0.476 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000659679103 421012742 /nfs/dbraw/zinc/01/27/42/421012742.db2.gz DJWVYNAQZVRCAR-KGLIPLIRSA-N 2 0 340.468 -0.324 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CCCO1 ZINC000659677362 421013049 /nfs/dbraw/zinc/01/30/49/421013049.db2.gz OQXFZQURVMWGJZ-TUBUQKNSSA-N 2 0 338.452 -0.528 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000659686029 421015743 /nfs/dbraw/zinc/01/57/43/421015743.db2.gz XQUJWWQVOYRTKD-KBPBESRZSA-N 2 0 327.473 -0.901 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659699031 421015939 /nfs/dbraw/zinc/01/59/39/421015939.db2.gz OFALKPKLBSIULU-UHFFFAOYSA-N 2 0 341.500 -0.284 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659700803 421016533 /nfs/dbraw/zinc/01/65/33/421016533.db2.gz VTKFYQRLDXUAHX-UHFFFAOYSA-N 2 0 338.452 -0.528 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659700290 421016759 /nfs/dbraw/zinc/01/67/59/421016759.db2.gz GODAZZWMJQDFBB-UONOGXRCSA-N 2 0 328.457 -0.297 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NCC2([NH3+])CCCC2)CCSC1 ZINC000659702047 421017504 /nfs/dbraw/zinc/01/75/04/421017504.db2.gz MVNKGNCXPAQOMC-OAHLLOKOSA-N 2 0 328.482 -0.072 20 0 EBADRP C[NH2+]CCNC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659714753 421019664 /nfs/dbraw/zinc/01/96/64/421019664.db2.gz VHDZJEMZSYVILH-UHFFFAOYSA-N 2 0 333.436 -0.255 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000659715423 421019974 /nfs/dbraw/zinc/01/99/74/421019974.db2.gz UQWBGTASNBZGRK-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000659718874 421022094 /nfs/dbraw/zinc/02/20/94/421022094.db2.gz RHMQUTDIVUVZIG-KBPBESRZSA-N 2 0 328.457 -0.345 20 0 EBADRP CN(C(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659731199 421024367 /nfs/dbraw/zinc/02/43/67/421024367.db2.gz PQHGPQMOULNYGO-DZGCQCFKSA-N 2 0 337.468 -0.909 20 0 EBADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000659730826 421025166 /nfs/dbraw/zinc/02/51/66/421025166.db2.gz ZWUFSGAMDWDXCL-HNNXBMFYSA-N 2 0 338.452 -0.671 20 0 EBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659744964 421027980 /nfs/dbraw/zinc/02/79/80/421027980.db2.gz MWZSTLKVWUEHOP-UHFFFAOYSA-N 2 0 338.452 -0.576 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000659756729 421028943 /nfs/dbraw/zinc/02/89/43/421028943.db2.gz SWIIOKJPFOLWST-QWHCGFSZSA-N 2 0 326.441 -0.578 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@@H](C)C[NH2+]C)C1 ZINC000659750388 421029111 /nfs/dbraw/zinc/02/91/11/421029111.db2.gz NZSQXZSIQFMXFL-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659756535 421029405 /nfs/dbraw/zinc/02/94/05/421029405.db2.gz RXHKVRFFOZKJIX-UKRRQHHQSA-N 2 0 339.484 -0.663 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000659752235 421029746 /nfs/dbraw/zinc/02/97/46/421029746.db2.gz YNVHXRHUOABXFA-ZDUSSCGKSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000659756730 421029991 /nfs/dbraw/zinc/02/99/91/421029991.db2.gz SWIIOKJPFOLWST-STQMWFEESA-N 2 0 326.441 -0.578 20 0 EBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662401504 421087403 /nfs/dbraw/zinc/08/74/03/421087403.db2.gz PAMOEIFNDAGAOB-KGLIPLIRSA-N 2 0 326.441 -0.591 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662716749 421096700 /nfs/dbraw/zinc/09/67/00/421096700.db2.gz WIXRDHJDOKQOTJ-KGLIPLIRSA-N 2 0 326.441 -0.637 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000662907180 421107197 /nfs/dbraw/zinc/10/71/97/421107197.db2.gz NQRCHEVJSORYJR-UONOGXRCSA-N 2 0 333.440 -0.678 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662929574 421111222 /nfs/dbraw/zinc/11/12/22/421111222.db2.gz HJYOJOKVJHETFY-XOYHFGRZSA-N 2 0 338.452 -0.495 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC[C@H]1F ZINC000662923303 421111339 /nfs/dbraw/zinc/11/13/39/421111339.db2.gz TWARQJHIKKKQEZ-ZIAGYGMSSA-N 2 0 335.383 -0.372 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000662937430 421113279 /nfs/dbraw/zinc/11/32/79/421113279.db2.gz HJXPLRMBHVUINT-CQSZACIVSA-N 2 0 326.441 -0.636 20 0 EBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662948115 421116308 /nfs/dbraw/zinc/11/63/08/421116308.db2.gz UHYITSBFXUAOQY-KGLIPLIRSA-N 2 0 326.441 -0.624 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC[C@@H]1[NH3+] ZINC000662957077 421117450 /nfs/dbraw/zinc/11/74/50/421117450.db2.gz FDXUTAHVKLKYDN-KFWWJZLASA-N 2 0 340.468 -0.249 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000663937646 421144606 /nfs/dbraw/zinc/14/46/06/421144606.db2.gz NLRIGEAZKRKZHZ-GJZGRUSLSA-N 2 0 328.457 -0.196 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000664079991 421147722 /nfs/dbraw/zinc/14/77/22/421147722.db2.gz LCARCNOWMWICTN-HOTGVXAUSA-N 2 0 341.500 -0.016 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)n1 ZINC000424161962 421195124 /nfs/dbraw/zinc/19/51/24/421195124.db2.gz WKQOJBWRQADXST-LBPRGKRZSA-N 2 0 332.412 0.213 20 0 EBADRP C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427092824 421204349 /nfs/dbraw/zinc/20/43/49/421204349.db2.gz LPEDVBKJIHKZTJ-AWEZNQCLSA-N 2 0 348.451 0.299 20 0 EBADRP Cc1cc(NC(=O)CC[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)no1 ZINC000362831700 421246128 /nfs/dbraw/zinc/24/61/28/421246128.db2.gz SHLLIQWFDAYOGC-CYBMUJFWSA-N 2 0 335.408 0.208 20 0 EBADRP CC(C)[NH+](CCN(C)C(=O)C(=O)NCCN1CC[NH2+]CC1)C(C)C ZINC000419878213 264901471 /nfs/dbraw/zinc/90/14/71/264901471.db2.gz YAIGTMMIUQPRFP-UHFFFAOYSA-N 2 0 341.500 -0.415 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000422473717 264959732 /nfs/dbraw/zinc/95/97/32/264959732.db2.gz ODHWPIOQRVKXJL-UHFFFAOYSA-N 2 0 347.419 -0.013 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@]2(COC)CC[NH2+]C2)CC1 ZINC000423401803 265002765 /nfs/dbraw/zinc/00/27/65/265002765.db2.gz XLDFERWXXGPASQ-QGZVFWFLSA-N 2 0 340.468 -0.375 20 0 EBADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423417525 265003534 /nfs/dbraw/zinc/00/35/34/265003534.db2.gz SMZFBIMCPFVIQY-OAHLLOKOSA-N 2 0 340.468 -0.247 20 0 EBADRP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000423435431 265004488 /nfs/dbraw/zinc/00/44/88/265004488.db2.gz YUMJZNNOFLNNDI-TZMCWYRMSA-N 2 0 336.440 -0.113 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)C1 ZINC000423451414 265004964 /nfs/dbraw/zinc/00/49/64/265004964.db2.gz UZHWBMAAHPNKQL-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+](CC)CCN(C(=O)COC1C[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000423732961 265040379 /nfs/dbraw/zinc/04/03/79/265040379.db2.gz PMQRVTOQBUSAHS-ZDUSSCGKSA-N 2 0 347.481 -0.668 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@H]1c1ccccc1F ZINC000424034080 265046458 /nfs/dbraw/zinc/04/64/58/265046458.db2.gz ZKSOATTULLZGTC-CFVMTHIKSA-N 2 0 334.395 -0.053 20 0 EBADRP CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430604195 265149669 /nfs/dbraw/zinc/14/96/69/265149669.db2.gz PMWDIRTZLUVHTK-CYBMUJFWSA-N 2 0 332.470 -0.931 20 0 EBADRP Cn1cc(N2CCC[C@H]([N@@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)C2=O)cn1 ZINC000430616115 265150072 /nfs/dbraw/zinc/15/00/72/265150072.db2.gz DRYSAQTZTXULAJ-HIFRSBDPSA-N 2 0 348.451 -0.298 20 0 EBADRP NC(=O)COc1ccc(CNC(=O)C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000430669906 265152052 /nfs/dbraw/zinc/15/20/52/265152052.db2.gz UWGPYWYSNXOHNS-UHFFFAOYSA-N 2 0 334.420 -0.162 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000430878376 265155780 /nfs/dbraw/zinc/15/57/80/265155780.db2.gz NXUALJUOZZXIOA-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP COC1(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC[NH2+]CC1 ZINC000430893133 265155975 /nfs/dbraw/zinc/15/59/75/265155975.db2.gz DGIVLRJXYIPPML-CYBMUJFWSA-N 2 0 326.441 -0.541 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000430874716 265156723 /nfs/dbraw/zinc/15/67/23/265156723.db2.gz GOZQPSJOROOHGE-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP COCC[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC[NH2+]C1 ZINC000430896609 265157224 /nfs/dbraw/zinc/15/72/24/265157224.db2.gz IKXPPFAFFJXKBG-BBRMVZONSA-N 2 0 326.441 -0.541 20 0 EBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433391414 265188252 /nfs/dbraw/zinc/18/82/52/265188252.db2.gz RMNCKCXYRGLKPZ-OLZOCXBDSA-N 2 0 349.439 -0.728 20 0 EBADRP CC[NH+]1CCN(CC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000434699728 265212563 /nfs/dbraw/zinc/21/25/63/265212563.db2.gz NOQOCRVHZQBCJR-HNNXBMFYSA-N 2 0 339.484 -0.530 20 0 EBADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1(C)C ZINC000444178040 265360166 /nfs/dbraw/zinc/36/01/66/265360166.db2.gz VEKRSFOHOFAUGK-OGHNNQOOSA-N 2 0 340.468 -0.025 20 0 EBADRP NC(=O)C[C@@H]1CCCC[NH+]1CC(O)C[N@H+]1CCCC[C@H]1CC(N)=O ZINC000447346896 265373906 /nfs/dbraw/zinc/37/39/06/265373906.db2.gz ZTDOAOXPOALPDZ-KBPBESRZSA-N 2 0 340.468 -0.193 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](CO)[C@@H]2CCCO2)C1 ZINC000447916481 265383713 /nfs/dbraw/zinc/38/37/13/265383713.db2.gz VLLNKFQBBYXLFO-OAGGEKHMSA-N 2 0 343.468 -0.411 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000420067376 272818876 /nfs/dbraw/zinc/81/88/76/272818876.db2.gz SKGZFUKZZPIEAD-CYBMUJFWSA-N 2 0 347.419 -0.408 20 0 EBADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000518531908 272890957 /nfs/dbraw/zinc/89/09/57/272890957.db2.gz HLVFQSBBOUOCHR-FMKPAKJESA-N 2 0 338.452 -0.401 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000333755353 279087623 /nfs/dbraw/zinc/08/76/23/279087623.db2.gz ZQFULMNKFXZORS-CQSZACIVSA-N 2 0 325.457 -0.066 20 0 EBADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000339573119 279105164 /nfs/dbraw/zinc/10/51/64/279105164.db2.gz IDPYGKNANNKYHI-OAHLLOKOSA-N 2 0 342.484 -0.083 20 0 EBADRP CC[C@@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+]1C[C@H](C)O ZINC000351552407 280350002 /nfs/dbraw/zinc/35/00/02/280350002.db2.gz AEDVAJTYVISYQG-MJBXVCDLSA-N 2 0 326.441 -0.842 20 0 EBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C[C@@H]1C ZINC000354671786 290091204 /nfs/dbraw/zinc/09/12/04/290091204.db2.gz KANSJSQJPYBJPW-MELADBBJSA-N 2 0 326.441 -0.842 20 0 EBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000332699716 297092550 /nfs/dbraw/zinc/09/25/50/297092550.db2.gz XUBHLAAHVGXLKF-KFWWJZLASA-N 2 0 338.452 -0.530 20 0 EBADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000333766439 300244815 /nfs/dbraw/zinc/24/48/15/300244815.db2.gz BJBYDINNFKGSKI-KBPBESRZSA-N 2 0 328.457 -0.149 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000670671965 545714314 /nfs/dbraw/zinc/71/43/14/545714314.db2.gz NCVYPNXXEQDWND-LSDHHAIUSA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cn1 ZINC000126661524 545733808 /nfs/dbraw/zinc/73/38/08/545733808.db2.gz HMQBMUAQCHJRQA-AWEZNQCLSA-N 2 0 348.451 -0.016 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cn1 ZINC000126661281 545734240 /nfs/dbraw/zinc/73/42/40/545734240.db2.gz HMQBMUAQCHJRQA-CQSZACIVSA-N 2 0 348.451 -0.016 20 0 EBADRP COC[C@@H](C)CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671811686 545739367 /nfs/dbraw/zinc/73/93/67/545739367.db2.gz DEAYEPRWBXOHQO-KBPBESRZSA-N 2 0 340.468 -0.330 20 0 EBADRP CCN(C(=O)C(=O)NC[C@@H]1CCC[NH+]1CCOC)[C@H]1CC[N@H+](C)C1 ZINC000668788466 545759870 /nfs/dbraw/zinc/75/98/70/545759870.db2.gz ZVMXNTDHYYSVJL-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CCN(C(=O)C(=O)N[C@@H]1CC[NH+](CCOC)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000668843448 545770732 /nfs/dbraw/zinc/77/07/32/545770732.db2.gz RGCVCHXNGABHRM-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]1CN(C[C@H](O)CN2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)C[C@H](C)O1 ZINC000344996450 545938202 /nfs/dbraw/zinc/93/82/02/545938202.db2.gz GIQKOIFWNNKMGJ-BQJWPVKWSA-N 2 0 327.469 -0.139 20 0 EBADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000672876625 546121573 /nfs/dbraw/zinc/12/15/73/546121573.db2.gz RESSMXFUJUODEN-GJZGRUSLSA-N 2 0 327.473 -0.358 20 0 EBADRP C[C@H](C[C@@H]1CCOC1)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000673218875 546135282 /nfs/dbraw/zinc/13/52/82/546135282.db2.gz IEIHJUMPHFPUSR-CABCVRRESA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)C1CC[NH+](C)CC1 ZINC000675819984 546189415 /nfs/dbraw/zinc/18/94/15/546189415.db2.gz VJFLDCCUMSPEFL-CQSZACIVSA-N 2 0 332.514 -0.117 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NCCNc2cc[nH+]cc2)cn1 ZINC000676095382 546194850 /nfs/dbraw/zinc/19/48/50/546194850.db2.gz FZQMVZLZFVWXST-UHFFFAOYSA-N 2 0 345.407 -0.572 20 0 EBADRP CS(=O)(=O)N1CCN(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000677240800 546227791 /nfs/dbraw/zinc/22/77/91/546227791.db2.gz LOEOYHVKXCJILO-GJZGRUSLSA-N 2 0 330.498 -0.220 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000625748113 582555824 /nfs/dbraw/zinc/55/58/24/582555824.db2.gz VGOYYZWBJOQXPW-UHFFFAOYSA-N 2 0 340.468 -0.280 20 0 EBADRP CCN(C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CC[NH2+]C1 ZINC000891563508 582558432 /nfs/dbraw/zinc/55/84/32/582558432.db2.gz IHLFCAXTTQZJMJ-CVEARBPZSA-N 2 0 339.484 -0.214 20 0 EBADRP [NH3+][C@@H](CNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)C1CC1 ZINC000892051227 582566528 /nfs/dbraw/zinc/56/65/28/582566528.db2.gz PRIAVXDMPTYCSP-HOTGVXAUSA-N 2 0 339.484 -0.181 20 0 EBADRP [NH3+][C@H](CNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)C1CC1 ZINC000892051228 582566548 /nfs/dbraw/zinc/56/65/48/582566548.db2.gz PRIAVXDMPTYCSP-HZPDHXFCSA-N 2 0 339.484 -0.181 20 0 EBADRP [NH3+]C1(CNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CCC1 ZINC000892054382 582566603 /nfs/dbraw/zinc/56/66/03/582566603.db2.gz UTDGABGEOKFEEV-HNNXBMFYSA-N 2 0 339.484 -0.036 20 0 EBADRP C[C@H](C[NH3+])CNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892045162 582566617 /nfs/dbraw/zinc/56/66/17/582566617.db2.gz QVYZMPWUHBHVFR-HUUCEWRRSA-N 2 0 327.473 -0.323 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892079151 582566768 /nfs/dbraw/zinc/56/67/68/582566768.db2.gz VRCXTLCNDUFRTH-HTOAHKCRSA-N 2 0 337.424 -0.439 20 0 EBADRP NCC(F)(F)CNC(=O)N1CCN(CCc2cnccn2)CC1 ZINC000892064822 582566900 /nfs/dbraw/zinc/56/69/00/582566900.db2.gz HLYXGPQGWJLJBN-UHFFFAOYSA-N 2 0 328.367 -0.060 20 0 EBADRP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC[NH2+]1 ZINC000892098169 582567324 /nfs/dbraw/zinc/56/73/24/582567324.db2.gz YAROTOSJBCJCPI-ITGHMWBKSA-N 2 0 337.424 -0.297 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2COCC[NH2+]2)C[C@H]1C[NH+](C)C ZINC000892292344 582573537 /nfs/dbraw/zinc/57/35/37/582573537.db2.gz AQAJQRDFDGIAQK-RBSFLKMASA-N 3 0 327.473 -0.644 20 0 EBADRP C[C@@H]1CN(CCNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CCO1 ZINC000892594973 582583222 /nfs/dbraw/zinc/58/32/22/582583222.db2.gz DKDLWBVUKRPEML-OWCLPIDISA-N 2 0 340.468 -0.052 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000892756096 582587154 /nfs/dbraw/zinc/58/71/54/582587154.db2.gz MOHODDARGABESX-MJBXVCDLSA-N 2 0 326.441 -0.097 20 0 EBADRP Cn1nc(Br)nc1CNCCC(=O)N1CCN(C)CC1 ZINC000894236667 582624026 /nfs/dbraw/zinc/62/40/26/582624026.db2.gz CYFRQCXYRVXDMT-UHFFFAOYSA-N 2 0 345.245 -0.169 20 0 EBADRP CCN1CC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000897359049 582680535 /nfs/dbraw/zinc/68/05/35/582680535.db2.gz KMPQFMMHRGORSR-CABCVRRESA-N 2 0 340.468 -0.330 20 0 EBADRP COC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)[C@@H]1CCC[NH+]1C ZINC000897499681 582693797 /nfs/dbraw/zinc/69/37/97/582693797.db2.gz KNQUZDOTCLZCNH-RDBSUJKOSA-N 2 0 326.441 -0.578 20 0 EBADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000900512871 582771103 /nfs/dbraw/zinc/77/11/03/582771103.db2.gz PKHLHCROHRBKHG-IOASZLSFSA-N 2 0 326.441 -0.855 20 0 EBADRP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000900559498 582772511 /nfs/dbraw/zinc/77/25/11/582772511.db2.gz AJBAPZRNQIZMQD-WMLDXEAASA-N 2 0 338.452 -0.792 20 0 EBADRP CC[NH+]1CCN([C@H](C)CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900685608 582778672 /nfs/dbraw/zinc/77/86/72/582778672.db2.gz GIHLOMYVFPGKSL-WBVHZDCISA-N 2 0 326.485 -0.025 20 0 EBADRP COC[C@@](C)(CNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)[C@H]1CCC[NH+]1C ZINC000900716240 582779920 /nfs/dbraw/zinc/77/99/20/582779920.db2.gz GHDYHHVCLKZBBS-CKEIUWERSA-N 2 0 340.468 -0.188 20 0 EBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@@H](C)C(=O)NC[C@H]1CCCO1)C2 ZINC000903493159 582809759 /nfs/dbraw/zinc/80/97/59/582809759.db2.gz VTGGPDJFIRSTHL-REVBEMBVSA-N 2 0 339.436 -0.118 20 0 EBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903544736 582810743 /nfs/dbraw/zinc/81/07/43/582810743.db2.gz XDLVPPMMNGGJLZ-STQMWFEESA-N 2 0 333.454 -0.947 20 0 EBADRP CC1(C)CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[C@H]1[NH3+] ZINC000903715658 582815364 /nfs/dbraw/zinc/81/53/64/582815364.db2.gz YROQTQWZYOKHCT-CQSZACIVSA-N 2 0 331.420 -0.074 20 0 EBADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000903769851 582818092 /nfs/dbraw/zinc/81/80/92/582818092.db2.gz PSQBCDKZYDRULJ-XHSDSOJGSA-N 3 0 338.452 -0.300 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)CC[NH2+]1 ZINC000903778558 582820141 /nfs/dbraw/zinc/82/01/41/582820141.db2.gz PVAPNXZQUMEGPJ-CYBMUJFWSA-N 2 0 331.420 -0.013 20 0 EBADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)C2)C1 ZINC000903776504 582820236 /nfs/dbraw/zinc/82/02/36/582820236.db2.gz RDKSZHKRQUFDHE-GYSYKLTISA-N 2 0 348.369 -0.111 20 0 EBADRP C[C@@H]1CN(C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C[C@H](C)[N@H+]1CCO ZINC000838302680 583053572 /nfs/dbraw/zinc/05/35/72/583053572.db2.gz QGNMDLFFRQBAND-QXSJWSMHSA-N 2 0 340.468 -0.054 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=S)NCC[NH+](C)C ZINC000751041245 583141307 /nfs/dbraw/zinc/14/13/07/583141307.db2.gz ZMFIUZMVLPUGEP-CYBMUJFWSA-N 2 0 329.514 -0.045 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NCCOCC[NH+](C)C)[NH+]1CCCCC1 ZINC000793721045 583569337 /nfs/dbraw/zinc/56/93/37/583569337.db2.gz PPCJLNOZMMMRKN-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000803180007 583628079 /nfs/dbraw/zinc/62/80/79/583628079.db2.gz QUZRWEDUERQBOX-VHDGCEQUSA-N 2 0 336.436 -0.681 20 0 EBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804051658 583637306 /nfs/dbraw/zinc/63/73/06/583637306.db2.gz ASLZOAILRSKUBC-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804053393 583638014 /nfs/dbraw/zinc/63/80/14/583638014.db2.gz JQZPASGAADVAPT-UONOGXRCSA-N 2 0 326.441 -0.624 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[NH+](C)C1CC1 ZINC000804058534 583640350 /nfs/dbraw/zinc/64/03/50/583640350.db2.gz FFFMXKXUKJOETK-BPLDGKMQSA-N 2 0 338.452 -0.435 20 0 EBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804060803 583641419 /nfs/dbraw/zinc/64/14/19/583641419.db2.gz PYQUDSJSUODBTM-HUUCEWRRSA-N 2 0 340.468 -0.236 20 0 EBADRP OC[C@H]1CC[N@H+](CCCCCC[NH+]2CC[C@@H](CO)[C@H](O)C2)C[C@H]1O ZINC000808750920 583671834 /nfs/dbraw/zinc/67/18/34/583671834.db2.gz PCAWMVLILQCDSU-XMTFNYHQSA-N 2 0 344.496 -0.103 20 0 EBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000817813533 583729801 /nfs/dbraw/zinc/72/98/01/583729801.db2.gz HYYXFBVJDPYKCP-RRFJBIMHSA-N 2 0 338.452 -0.482 20 0 EBADRP CCS(=O)(=O)CC[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000819365974 583757465 /nfs/dbraw/zinc/75/74/65/583757465.db2.gz GBXNDKLPHFRWFH-UHFFFAOYSA-N 2 0 333.498 -0.193 20 0 EBADRP C[NH+]1CC[C@@H](CNC(=O)C(F)(F)C(=O)NC[C@H]2CC[N@@H+](C)C2)C1 ZINC000821230613 583786876 /nfs/dbraw/zinc/78/68/76/583786876.db2.gz SOHHVOWNNPENFO-TXEJJXNPSA-N 2 0 332.395 -0.243 20 0 EBADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC000824826569 583850643 /nfs/dbraw/zinc/85/06/43/583850643.db2.gz LCUMRWWVDDFTBY-ZFWWWQNUSA-N 2 0 348.513 -0.154 20 0 EBADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000826862814 583911562 /nfs/dbraw/zinc/91/15/62/583911562.db2.gz HQBITVQSRURTAW-AWEZNQCLSA-N 2 0 341.456 -0.530 20 0 EBADRP CCN(C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[C@H]1CC[N@H+](C)C1 ZINC000827705049 583926512 /nfs/dbraw/zinc/92/65/12/583926512.db2.gz FOSHLBIKYMPVQD-RRFJBIMHSA-N 2 0 338.452 -0.482 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000827936267 583929622 /nfs/dbraw/zinc/92/96/22/583929622.db2.gz IDJQGKZQWRQVKO-MELADBBJSA-N 2 0 334.424 -0.204 20 0 EBADRP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000832410064 583998016 /nfs/dbraw/zinc/99/80/16/583998016.db2.gz QDGKSCXGVHSXSX-GFCCVEGCSA-N 2 0 346.435 -0.661 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](O)C2)C[C@H]1C[NH+](C)C ZINC000867280058 584055726 /nfs/dbraw/zinc/05/57/26/584055726.db2.gz LYSFGGRMMFBEOJ-KFWWJZLASA-N 2 0 340.468 -0.833 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[NH+]1CCCCC1 ZINC000842016254 584056367 /nfs/dbraw/zinc/05/63/67/584056367.db2.gz SNCCRTAODVBVRL-UONOGXRCSA-N 2 0 326.441 -0.447 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)CCO1 ZINC000842016314 584056454 /nfs/dbraw/zinc/05/64/54/584056454.db2.gz UBHOJUWVWUJIRG-MELADBBJSA-N 2 0 326.441 -0.448 20 0 EBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000842165141 584058909 /nfs/dbraw/zinc/05/89/09/584058909.db2.gz TYSJAGSEQDVTGV-ILXRZTDVSA-N 2 0 338.452 -0.434 20 0 EBADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000842165561 584059077 /nfs/dbraw/zinc/05/90/77/584059077.db2.gz ZKDAXTTWUPGPCK-HZSPNIEDSA-N 2 0 326.441 -0.401 20 0 EBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)C[C@@H]([NH3+])C2CC2)c1 ZINC000843323282 584075624 /nfs/dbraw/zinc/07/56/24/584075624.db2.gz UHYBGLIKTQOBSH-CYBMUJFWSA-N 2 0 326.422 -0.011 20 0 EBADRP COCCN(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867325477 584076790 /nfs/dbraw/zinc/07/67/90/584076790.db2.gz OBGHWDLTQKOTSK-ZIAGYGMSSA-N 2 0 328.457 -0.711 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844181061 584090265 /nfs/dbraw/zinc/09/02/65/584090265.db2.gz OETSRDFDSSXGQS-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+]C(CO)CO)cc2)CC1 ZINC000846933272 584133148 /nfs/dbraw/zinc/13/31/48/584133148.db2.gz APPWIXZCGUQCRV-UHFFFAOYSA-N 2 0 336.436 -0.290 20 0 EBADRP [NH2+]=C(NCCCN1CCOCC1)NCCC[NH+]1CCC(O)CC1 ZINC000849061122 584165533 /nfs/dbraw/zinc/16/55/33/584165533.db2.gz RCYURNCHMLUYBI-UHFFFAOYSA-N 2 0 327.473 -0.331 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCO1 ZINC000852922389 584221069 /nfs/dbraw/zinc/22/10/69/584221069.db2.gz XSWXRVZQYWYHHG-KFWWJZLASA-N 2 0 338.452 -0.624 20 0 EBADRP CC[NH2+]CCCNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861641085 584332179 /nfs/dbraw/zinc/33/21/79/584332179.db2.gz YBEZABGIRBCTGA-KGLIPLIRSA-N 2 0 339.440 -0.047 20 0 EBADRP O=C(NCC12CC(C1)C[NH2+]2)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861653258 584332518 /nfs/dbraw/zinc/33/25/18/584332518.db2.gz XPQQXYOYAQKFFY-AYOMXYJGSA-N 2 0 349.435 -0.295 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000861737112 584336071 /nfs/dbraw/zinc/33/60/71/584336071.db2.gz TWHOIEYKHSULAY-NWANDNLSSA-N 2 0 340.468 -0.324 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000861738978 584336303 /nfs/dbraw/zinc/33/63/03/584336303.db2.gz DKQMBWBILMHDIN-STQMWFEESA-N 2 0 325.457 -0.923 20 0 EBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000863548699 584372939 /nfs/dbraw/zinc/37/29/39/584372939.db2.gz VWAGDGASODFHEM-QLFBSQMISA-N 3 0 336.436 -0.236 20 0 EBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000863764764 584377502 /nfs/dbraw/zinc/37/75/02/584377502.db2.gz WPGYDOMGELVIRY-CQSZACIVSA-N 2 0 340.468 -0.105 20 0 EBADRP [NH3+][C@@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C[C@H]1c1ccccc1 ZINC000866762623 584405728 /nfs/dbraw/zinc/40/57/28/584405728.db2.gz WRBZZOKSDYYOJO-QLFBSQMISA-N 2 0 325.434 -0.269 20 0 EBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000866763687 584405960 /nfs/dbraw/zinc/40/59/60/584405960.db2.gz HIEQKCGISPDZTN-ZFWWWQNUSA-N 2 0 325.434 -0.219 20 0 EBADRP COCCN1[C@H](C)CN(C(=O)C(=O)N(C)Cc2ncc[nH]2)C[C@@H]1C ZINC000867620995 584412632 /nfs/dbraw/zinc/41/26/32/584412632.db2.gz VZWYQWOOANTKSC-BETUJISGSA-N 2 0 337.424 -0.064 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCO2)C[C@H]1C[NH+](C)C ZINC000867676508 584413831 /nfs/dbraw/zinc/41/38/31/584413831.db2.gz PSNATAAYQWUXFN-RBSFLKMASA-N 2 0 340.468 -0.521 20 0 EBADRP C[NH+]1C[C@H]2CN(C(=O)C(F)C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)C[C@H]2C1 ZINC000867873505 584419089 /nfs/dbraw/zinc/41/90/89/584419089.db2.gz GEDQNODKRRNPHR-KPWCQOOUSA-N 2 0 338.427 -0.636 20 0 EBADRP C[NH2+]CCCN(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000868390846 584427857 /nfs/dbraw/zinc/42/78/57/584427857.db2.gz BDPMRHVGESLBAE-HUUCEWRRSA-N 3 0 341.500 -0.748 20 0 EBADRP C[NH+]1C[C@@H]2CCN(C(=O)[C@@H](F)C(=O)N3CC[C@@H]4C[N@@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000868520165 584430880 /nfs/dbraw/zinc/43/08/80/584430880.db2.gz KEQMOQRBXCQRRB-ABTBWFIASA-N 2 0 338.427 -0.351 20 0 EBADRP C[NH+]1CC[C@H]2CN(C(=O)[C@@H](F)C(=O)N3C[C@H]4CC[N@@H+](C)[C@H]4C3)C[C@H]21 ZINC000868716669 584433091 /nfs/dbraw/zinc/43/30/91/584433091.db2.gz GTAPRHMFHDGKBI-ABTBWFIASA-N 2 0 338.427 -0.351 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1C[NH+](C)C ZINC000870023728 584442930 /nfs/dbraw/zinc/44/29/30/584442930.db2.gz KLOZVCXQLKEFKP-ZIAGYGMSSA-N 2 0 325.457 -0.401 20 0 EBADRP O=C(C[NH2+]C[C@H]1CCCO1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871004345 584451110 /nfs/dbraw/zinc/45/11/10/584451110.db2.gz KEAJMUFNDHMYAS-SYQHCUMBSA-N 2 0 338.408 -0.852 20 0 EBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000871811262 584457573 /nfs/dbraw/zinc/45/75/73/584457573.db2.gz NMTNFTPVBXMXQW-LSDHHAIUSA-N 2 0 325.434 -0.391 20 0 EBADRP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872303492 584461536 /nfs/dbraw/zinc/46/15/36/584461536.db2.gz INKHJBFZJUDBRB-KXNHARMFSA-N 2 0 344.362 -0.375 20 0 EBADRP O=C([C@H]1C[NH2+]CCC1(F)F)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872303493 584461630 /nfs/dbraw/zinc/46/16/30/584461630.db2.gz INKHJBFZJUDBRB-QCNOEVLYSA-N 2 0 344.362 -0.375 20 0 EBADRP COCC[C@H](C)NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875164026 584491777 /nfs/dbraw/zinc/49/17/77/584491777.db2.gz CFBXCDNNFMSFOB-RRFJBIMHSA-N 2 0 342.484 -0.275 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C)C(C)(C)CC2)C1 ZINC000875182088 584492270 /nfs/dbraw/zinc/49/22/70/584492270.db2.gz DEYOPAXFVKNKBB-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC000875182273 584492457 /nfs/dbraw/zinc/49/24/57/584492457.db2.gz JPZVZMKMWGWUOT-KKUMJFAQSA-N 2 0 338.452 -0.624 20 0 EBADRP CO[C@@H]1COC[C@@H]1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875663454 584504229 /nfs/dbraw/zinc/50/42/29/584504229.db2.gz RSDUGNBUWMLFFF-APIJFGDWSA-N 2 0 328.457 -0.219 20 0 EBADRP COC(=O)COCCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875847763 584507293 /nfs/dbraw/zinc/50/72/93/584507293.db2.gz YEJBBVGFSREVIO-ZIAGYGMSSA-N 2 0 344.456 -0.443 20 0 EBADRP C[NH+](C)CCn1c2cc(NC(=O)[C@@H](N)C[NH+](C)C)ccc2oc1=O ZINC000876747286 584521932 /nfs/dbraw/zinc/52/19/32/584521932.db2.gz ZVFFAVUGETXUOU-LBPRGKRZSA-N 2 0 335.408 -0.017 20 0 EBADRP COC[C@@]1(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[NH2+]CCO1 ZINC000876763617 584522840 /nfs/dbraw/zinc/52/28/40/584522840.db2.gz GTIFSCSWAJVACD-WMLDXEAASA-N 2 0 340.468 -0.724 20 0 EBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@]2(COC)C[NH2+]CCO2)CC1 ZINC000876780702 584523523 /nfs/dbraw/zinc/52/35/23/584523523.db2.gz IUXHVBWDBZBKFM-ZBFHGGJFSA-N 2 0 328.457 -0.866 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@]2(COC)C[NH2+]CCO2)CC1 ZINC000876782773 584523602 /nfs/dbraw/zinc/52/36/02/584523602.db2.gz USBCZWINCQRBRJ-DOTOQJQBSA-N 2 0 342.484 -0.619 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)[C@@]2(COC)C[NH2+]CCO2)CC1 ZINC000876781593 584523704 /nfs/dbraw/zinc/52/37/04/584523704.db2.gz PGPOTBYYVRUDMB-KRWDZBQOSA-N 2 0 342.484 -0.475 20 0 EBADRP COC[C@]1(C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)C[NH2+]CCO1 ZINC000877115674 584529124 /nfs/dbraw/zinc/52/91/24/584529124.db2.gz KWPPOSLRPGFBPK-RDJZCZTQSA-N 2 0 341.452 -0.392 20 0 EBADRP COC[C@@]1(C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)C[NH2+]CCO1 ZINC000877115670 584529274 /nfs/dbraw/zinc/52/92/74/584529274.db2.gz KWPPOSLRPGFBPK-DOTOQJQBSA-N 2 0 341.452 -0.392 20 0 EBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)c3[nH]nc4c3C[NH2+]CC4)CC2)C1=O ZINC000877146836 584529486 /nfs/dbraw/zinc/52/94/86/584529486.db2.gz WCNVSLLQHYORFA-AWEZNQCLSA-N 2 0 346.435 -0.520 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[NH2+]CC2)CCN1c1cc[nH+]cc1 ZINC000883638255 584604071 /nfs/dbraw/zinc/60/40/71/584604071.db2.gz HHULQADDNVQMRA-CQSZACIVSA-N 2 0 331.420 -0.059 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCN1c1cc[nH+]cc1 ZINC000883641986 584604078 /nfs/dbraw/zinc/60/40/78/584604078.db2.gz ALZJCIAJICLZMW-IPYPFGDCSA-N 2 0 329.404 -0.309 20 0 EBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1 ZINC000883638715 584604128 /nfs/dbraw/zinc/60/41/28/584604128.db2.gz VCJUMTIWCGNHRN-KBPBESRZSA-N 2 0 331.420 -0.061 20 0 EBADRP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000884290058 584620837 /nfs/dbraw/zinc/62/08/37/584620837.db2.gz QNSWAPSPHRDIOH-MRXNPFEDSA-N 2 0 344.463 -0.389 20 0 EBADRP CCN(C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1CC[NH2+]C1 ZINC000884508235 584625125 /nfs/dbraw/zinc/62/51/25/584625125.db2.gz YLGQBDQXPFLBKN-CQSZACIVSA-N 2 0 339.484 -0.661 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000884516811 584625624 /nfs/dbraw/zinc/62/56/24/584625624.db2.gz VGOARODCKAFVDV-IPYPFGDCSA-N 2 0 338.452 -0.306 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000884559898 584627148 /nfs/dbraw/zinc/62/71/48/584627148.db2.gz IGZWGJAUHNLTJD-TUVASFSCSA-N 2 0 336.436 -0.681 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884563077 584627693 /nfs/dbraw/zinc/62/76/93/584627693.db2.gz VOMSIXXIFJOHEJ-BTTYYORXSA-N 2 0 326.441 -0.672 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000884597665 584628954 /nfs/dbraw/zinc/62/89/54/584628954.db2.gz GMEADNSERUFUSY-GJZGRUSLSA-N 2 0 339.484 -0.532 20 0 EBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000884597865 584629052 /nfs/dbraw/zinc/62/90/52/584629052.db2.gz MOJKMWHOSOGOGP-SHTZXODSSA-N 2 0 340.468 -0.151 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)C1 ZINC000884642734 584631208 /nfs/dbraw/zinc/63/12/08/584631208.db2.gz PZQAHGRNOGDLKQ-KBPBESRZSA-N 2 0 326.441 -0.447 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884642962 584631388 /nfs/dbraw/zinc/63/13/88/584631388.db2.gz UEAHCLMUWTXNGN-KGLIPLIRSA-N 2 0 340.468 -0.282 20 0 EBADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884650200 584631796 /nfs/dbraw/zinc/63/17/96/584631796.db2.gz BLUQQBCDQJZUBH-AWEZNQCLSA-N 2 0 340.468 -0.281 20 0 EBADRP CN(C(=O)C(=O)NCCOCC[NH+](C)C)C1(C[NH3+])CCCCC1 ZINC000884662219 584632345 /nfs/dbraw/zinc/63/23/45/584632345.db2.gz KOEZDGMYOGARSY-UHFFFAOYSA-N 2 0 328.457 -0.199 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C[C@H]1C[NH+](C)C ZINC000884674095 584633019 /nfs/dbraw/zinc/63/30/19/584633019.db2.gz NBTQRVNYTDISNR-KFWWJZLASA-N 3 0 339.484 -0.948 20 0 EBADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000884707659 584635363 /nfs/dbraw/zinc/63/53/63/584635363.db2.gz UULBSVXGNDHFQY-IUODEOHRSA-N 2 0 331.420 -0.028 20 0 EBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000884723876 584635981 /nfs/dbraw/zinc/63/59/81/584635981.db2.gz BVCFMAKWZWLIMS-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000884729269 584636669 /nfs/dbraw/zinc/63/66/69/584636669.db2.gz LQLKCWQAFUNVSL-LXTVHRRPSA-N 3 0 341.500 -0.574 20 0 EBADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000884808295 584638344 /nfs/dbraw/zinc/63/83/44/584638344.db2.gz QYPLXMPAKNTJJT-UHFFFAOYSA-N 2 0 340.468 -0.010 20 0 EBADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000884816626 584638897 /nfs/dbraw/zinc/63/88/97/584638897.db2.gz ZCTNERGHRQQFAV-HNNXBMFYSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000887091271 584676365 /nfs/dbraw/zinc/67/63/65/584676365.db2.gz GGGDGXAVFYHQPI-ZIAGYGMSSA-N 2 0 331.420 -0.074 20 0 EBADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000887093285 584676382 /nfs/dbraw/zinc/67/63/82/584676382.db2.gz GWFOVBZFLLHBAP-IPYPFGDCSA-N 2 0 329.404 -0.309 20 0 EBADRP CC[NH+]1CCC(NC(=O)Cn2cc(CN3CCC[C@H]([NH3+])C3)nn2)CC1 ZINC000887436657 584678291 /nfs/dbraw/zinc/67/82/91/584678291.db2.gz TZGAKCYZCZPKDU-AWEZNQCLSA-N 2 0 349.483 -0.198 20 0 EBADRP CC[N@@H+]1CC[C@H]1CNC(=O)NC[C@]1(CO)COCC2(CCC2)N1C ZINC000890057504 584691255 /nfs/dbraw/zinc/69/12/55/584691255.db2.gz HECHEQOEJBPQNT-YOEHRIQHSA-N 2 0 340.468 -0.004 20 0 EBADRP CN(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000890138621 584693046 /nfs/dbraw/zinc/69/30/46/584693046.db2.gz FHDQWBYPTIGFFX-INIZCTEOSA-N 2 0 341.500 -0.014 20 0 EBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)C[C@]2(C)C1 ZINC000904958002 650051811 /nfs/dbraw/zinc/05/18/11/650051811.db2.gz CQXXKIHRBZWELD-KCTHJMFYSA-N 2 0 334.464 -0.018 20 0 EBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000904972968 650053663 /nfs/dbraw/zinc/05/36/63/650053663.db2.gz ZBDHAAMRRRAIDT-UHFFFAOYSA-N 2 0 340.468 -0.103 20 0 EBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2CCOC)C1 ZINC000904986316 650055434 /nfs/dbraw/zinc/05/54/34/650055434.db2.gz HPFUIKDPWMTKBK-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000904996442 650057249 /nfs/dbraw/zinc/05/72/49/650057249.db2.gz PZRNFLRSNWTCFW-KBPBESRZSA-N 2 0 326.441 -0.624 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000905017170 650060016 /nfs/dbraw/zinc/06/00/16/650060016.db2.gz TWGPZWQWHUSDPV-GJZGRUSLSA-N 2 0 338.452 -0.480 20 0 EBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2COC)C1 ZINC000905022375 650060740 /nfs/dbraw/zinc/06/07/40/650060740.db2.gz QPHJESUMLHCJEO-KGLIPLIRSA-N 2 0 326.441 -0.767 20 0 EBADRP C[NH+]1CCC2(CC1)NC(=O)N(CN1CC[C@H](C3OCCO3)C1)C2=O ZINC000905694900 650064195 /nfs/dbraw/zinc/06/41/95/650064195.db2.gz KWAXMSVZAINFRV-LBPRGKRZSA-N 2 0 338.408 -0.345 20 0 EBADRP C[NH+]1CCN(CCNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1(C)C ZINC000908002714 650092595 /nfs/dbraw/zinc/09/25/95/650092595.db2.gz VVIRQCKOHHPXOK-KRWDZBQOSA-N 2 0 326.485 -0.025 20 0 EBADRP CC(C)[NH+]1CCN(CCC(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000908027492 650095055 /nfs/dbraw/zinc/09/50/55/650095055.db2.gz HADTUMYIPWUMTR-KRWDZBQOSA-N 2 0 337.512 -0.091 20 0 EBADRP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000910920883 650140372 /nfs/dbraw/zinc/14/03/72/650140372.db2.gz WQINCBPIOUNELZ-HUUCEWRRSA-N 2 0 338.452 -0.936 20 0 EBADRP C[C@H](CNC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1)[NH+]1CCCCC1 ZINC000910946248 650141579 /nfs/dbraw/zinc/14/15/79/650141579.db2.gz IRXSDVRPKIFPNY-CQSZACIVSA-N 2 0 340.468 -0.057 20 0 EBADRP C[C@H](CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)[NH+]1CCCCC1 ZINC000910947374 650141610 /nfs/dbraw/zinc/14/16/10/650141610.db2.gz WVHSEVYIZRSZDV-CQSZACIVSA-N 2 0 339.484 -0.484 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C[C@H]1[NH3+] ZINC000910983627 650143622 /nfs/dbraw/zinc/14/36/22/650143622.db2.gz IZBWHNILBCSBOA-MGPQQGTHSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CCCO1 ZINC000910984054 650143890 /nfs/dbraw/zinc/14/38/90/650143890.db2.gz KBYYDYKPBYRGKE-KGLIPLIRSA-N 2 0 340.468 -0.201 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC000910993609 650144129 /nfs/dbraw/zinc/14/41/29/650144129.db2.gz SLGMIRIBEXLIGW-HUUCEWRRSA-N 2 0 340.468 -0.343 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC000911005286 650144736 /nfs/dbraw/zinc/14/47/36/650144736.db2.gz ZOABRYFGHKKBLT-CXAGYDPISA-N 2 0 338.452 -0.447 20 0 EBADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000910999591 650144825 /nfs/dbraw/zinc/14/48/25/650144825.db2.gz MUNVZYSTJUTHLR-UHFFFAOYSA-N 2 0 341.500 -0.364 20 0 EBADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911027028 650146297 /nfs/dbraw/zinc/14/62/97/650146297.db2.gz BGCMRWYJUUSFKC-GJZGRUSLSA-N 2 0 339.484 -0.756 20 0 EBADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CC2)[C@H](C)C1 ZINC000911033331 650146866 /nfs/dbraw/zinc/14/68/66/650146866.db2.gz HWBLKFYOUWFUSC-KGLIPLIRSA-N 2 0 340.468 -0.153 20 0 EBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)C2)CC1 ZINC000911035666 650147644 /nfs/dbraw/zinc/14/76/44/650147644.db2.gz SZIGKERTKWYJFW-WMHQRMGPSA-N 2 0 349.479 -0.720 20 0 EBADRP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)N1CC[NH+](C)CC1 ZINC000911066670 650148497 /nfs/dbraw/zinc/14/84/97/650148497.db2.gz BNEMSJWXRIQDQP-KFWWJZLASA-N 2 0 339.484 -0.901 20 0 EBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911056914 650148671 /nfs/dbraw/zinc/14/86/71/650148671.db2.gz ZRZQKEUFWYNYCS-HNNXBMFYSA-N 2 0 339.484 -0.612 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000911076528 650149110 /nfs/dbraw/zinc/14/91/10/650149110.db2.gz ADGYVLTVVRVIQX-QLFBSQMISA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CCC([NH3+])CC2)C[N@@H+]1C1CC1 ZINC000911147155 650154135 /nfs/dbraw/zinc/15/41/35/650154135.db2.gz OLRDWQBRAZKFOR-OCCSQVGLSA-N 2 0 337.468 -0.733 20 0 EBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911147722 650154339 /nfs/dbraw/zinc/15/43/39/650154339.db2.gz SCRSBEQMBPBNOF-SWLSCSKDSA-N 2 0 337.468 -0.875 20 0 EBADRP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000911146923 650154406 /nfs/dbraw/zinc/15/44/06/650154406.db2.gz CXYYABJJUILUME-XJIUQZFPSA-N 2 0 336.436 -0.694 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911149587 650154896 /nfs/dbraw/zinc/15/48/96/650154896.db2.gz YAWHPWMEPZXEBU-LJISPDSOSA-N 2 0 336.436 -0.966 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000911156266 650154915 /nfs/dbraw/zinc/15/49/15/650154915.db2.gz PIOXPNUUJCPROI-CZUORRHYSA-N 2 0 326.441 -0.589 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000911192920 650158454 /nfs/dbraw/zinc/15/84/54/650158454.db2.gz DSRBBSMWQUIFHK-SOUVJXGZSA-N 2 0 340.468 -0.343 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911195027 650158498 /nfs/dbraw/zinc/15/84/98/650158498.db2.gz SDSDCQHWVXWURO-CHWSQXEVSA-N 2 0 326.441 -0.672 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000911192919 650158615 /nfs/dbraw/zinc/15/86/15/650158615.db2.gz DSRBBSMWQUIFHK-RRFJBIMHSA-N 2 0 340.468 -0.343 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CCSC1 ZINC000911199066 650159182 /nfs/dbraw/zinc/15/91/82/650159182.db2.gz JSPPYIZGHNFUNY-HZPDHXFCSA-N 2 0 340.493 -0.106 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CCSC1 ZINC000911201608 650159613 /nfs/dbraw/zinc/15/96/13/650159613.db2.gz XEICPFJMRWZXKK-WFASDCNBSA-N 2 0 328.482 -0.263 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1COC ZINC000911211300 650160305 /nfs/dbraw/zinc/16/03/05/650160305.db2.gz UPKVMOSDWLAIHS-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP [NH3+]C1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000911224494 650160965 /nfs/dbraw/zinc/16/09/65/650160965.db2.gz ZAWZKMALRVAYLF-HNNXBMFYSA-N 2 0 337.468 -0.874 20 0 EBADRP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000911220952 650161042 /nfs/dbraw/zinc/16/10/42/650161042.db2.gz ZEZOHHMAEKHVPD-QGZVFWFLSA-N 2 0 338.452 -0.711 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000911162937 650156102 /nfs/dbraw/zinc/15/61/02/650156102.db2.gz ULJWGKHHXRNNGQ-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H](CCNC(=O)C(=O)N1CCNCC[NH2+]CC1)[NH+]1CCCCC1 ZINC000911241912 650162509 /nfs/dbraw/zinc/16/25/09/650162509.db2.gz GCYQGGAKPOJEFS-OAHLLOKOSA-N 2 0 339.484 -0.612 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)C1 ZINC000911240521 650162543 /nfs/dbraw/zinc/16/25/43/650162543.db2.gz JGQAGBAIVLNICE-IHRRRGAJSA-N 2 0 326.441 -0.733 20 0 EBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC000911257123 650163449 /nfs/dbraw/zinc/16/34/49/650163449.db2.gz DVZSGHAQNJEHQP-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)C[NH+](C)C ZINC000911298818 650167749 /nfs/dbraw/zinc/16/77/49/650167749.db2.gz XGJMGZXRTHPCOH-UPJWGTAASA-N 2 0 344.456 -0.702 20 0 EBADRP C[C@H](CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)C[NH+]1CCCC1 ZINC000911269496 650164554 /nfs/dbraw/zinc/16/45/54/650164554.db2.gz LAIUQCKVOOXEOE-CQSZACIVSA-N 2 0 339.484 -0.626 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)C[NH+](C)C ZINC000911299510 650167896 /nfs/dbraw/zinc/16/78/96/650167896.db2.gz YSKTVYKJGWFLQI-ZIAGYGMSSA-N 2 0 328.457 -0.297 20 0 EBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911291666 650167105 /nfs/dbraw/zinc/16/71/05/650167105.db2.gz MRHDLZQRLJAVDU-ILXRZTDVSA-N 2 0 340.468 -0.466 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911293089 650167154 /nfs/dbraw/zinc/16/71/54/650167154.db2.gz RRVAMTFFPWBLCK-MGPQQGTHSA-N 2 0 326.441 -0.857 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911312967 650169939 /nfs/dbraw/zinc/16/99/39/650169939.db2.gz BNNOIYPJKYTYEU-IGQOVBAYSA-N 2 0 326.441 -0.714 20 0 EBADRP CC1([NH+]2CCC2)CCC(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000911311073 650170178 /nfs/dbraw/zinc/17/01/78/650170178.db2.gz OVPDXTKBGKKVLI-UUCFBXCCSA-N 2 0 338.452 -0.386 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C[NH+](C)C ZINC000911313543 650170504 /nfs/dbraw/zinc/17/05/04/650170504.db2.gz FXFMPSZVGFKHIV-KBUPBQIOSA-N 2 0 340.468 -0.426 20 0 EBADRP C[NH+](C)C1CCC(NC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000911317457 650170574 /nfs/dbraw/zinc/17/05/74/650170574.db2.gz VLBJIHNSDXXHEX-SEEARECTSA-N 2 0 326.441 -0.712 20 0 EBADRP [NH3+]CC1(CCNC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000911321814 650170588 /nfs/dbraw/zinc/17/05/88/650170588.db2.gz HNWZBHMJXWEFRL-ZIAGYGMSSA-N 2 0 338.452 -0.711 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000911325739 650171841 /nfs/dbraw/zinc/17/18/41/650171841.db2.gz WPKBDRJBFVHYKC-ZNMIVQPWSA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000911330357 650171883 /nfs/dbraw/zinc/17/18/83/650171883.db2.gz JSLACFDMAMTUNU-PBHICJAKSA-N 2 0 340.468 -0.465 20 0 EBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2CCOC)C1 ZINC000911337353 650172203 /nfs/dbraw/zinc/17/22/03/650172203.db2.gz RQBJGJXZBZBPQC-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911384018 650177904 /nfs/dbraw/zinc/17/79/04/650177904.db2.gz FMTPVKAQPKBFNT-ZDUSSCGKSA-N 2 0 326.441 -0.719 20 0 EBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911413424 650180225 /nfs/dbraw/zinc/18/02/25/650180225.db2.gz GPWQFBRJPKLYHR-CQSZACIVSA-N 2 0 339.484 -0.674 20 0 EBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911414246 650180852 /nfs/dbraw/zinc/18/08/52/650180852.db2.gz ZTVXSNWPSZLNGX-AWEZNQCLSA-N 2 0 339.484 -0.674 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1)C[NH+](C)C ZINC000911433077 650182991 /nfs/dbraw/zinc/18/29/91/650182991.db2.gz BGXJMJMUZUNGHW-CZUORRHYSA-N 2 0 326.441 -0.576 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+])C[NH+](C)C ZINC000911433917 650183488 /nfs/dbraw/zinc/18/34/88/650183488.db2.gz FBHBBPXXEUFEFF-BFHYXJOUSA-N 2 0 328.457 -0.345 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)C[NH+](C)C ZINC000911437182 650184266 /nfs/dbraw/zinc/18/42/66/650184266.db2.gz ZMIUGMZXSFWNMR-HZSPNIEDSA-N 2 0 328.457 -0.487 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911521870 650190282 /nfs/dbraw/zinc/19/02/82/650190282.db2.gz XNCDVLAMLZPPNP-CYBMUJFWSA-N 3 0 327.473 -0.948 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CCO1 ZINC000911535929 650191426 /nfs/dbraw/zinc/19/14/26/650191426.db2.gz WBQSLTZNZUTFHG-KBPBESRZSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000911545518 650192708 /nfs/dbraw/zinc/19/27/08/650192708.db2.gz PPSRHLWIURQWKL-BBRMVZONSA-N 2 0 326.441 -0.588 20 0 EBADRP CN(CCN1CC[NH2+]CC1)C(=O)c1ccc2c(c1)CC[C@H]([NH3+])C(=O)N2 ZINC000911776066 650196223 /nfs/dbraw/zinc/19/62/23/650196223.db2.gz UBIUXWHWAVATBI-HNNXBMFYSA-N 2 0 345.447 -0.124 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C2CN(S(C)(=O)=O)C2)C[C@H]1C[NH+](C)C ZINC000913438861 650233733 /nfs/dbraw/zinc/23/37/33/650233733.db2.gz XSJNIXVLTIVBLB-CHWSQXEVSA-N 2 0 346.497 -0.924 20 0 EBADRP O=S(=O)(C[C@@]12CC[NH+](C1)CCC2)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000916812300 650276359 /nfs/dbraw/zinc/27/63/59/650276359.db2.gz CXQIRFGORNCOKE-ZNMIVQPWSA-N 2 0 329.466 -0.447 20 0 EBADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)C12CC[NH+](CC1)C2 ZINC000922341707 650331143 /nfs/dbraw/zinc/33/11/43/650331143.db2.gz UGXYYYXLELEAJA-INIZCTEOSA-N 2 0 336.480 -0.005 20 0 EBADRP O=C(NC[C@@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1)[C@H]1CCC[NH2+]1 ZINC000923329715 650338167 /nfs/dbraw/zinc/33/81/67/650338167.db2.gz XXKMIKPECHFDGJ-HRCADAONSA-N 3 0 336.480 -0.055 20 0 EBADRP CN1CC(=O)N(CC[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1=O ZINC000923342948 650338031 /nfs/dbraw/zinc/33/80/31/650338031.db2.gz AEDUVYXGNMETAA-GFCCVEGCSA-N 2 0 325.413 -0.800 20 0 EBADRP NS(=O)(=O)c1ccc(OCCN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923463539 650341464 /nfs/dbraw/zinc/34/14/64/650341464.db2.gz FMNFNVFQGNLCLB-UHFFFAOYSA-N 2 0 328.438 -0.792 20 0 EBADRP O=C(CCN1CC[NH2+]CC[NH2+]CC1)NC(=O)NCC(F)(F)F ZINC000923463795 650341573 /nfs/dbraw/zinc/34/15/73/650341573.db2.gz VOLSEPFVGZQRDR-UHFFFAOYSA-N 2 0 325.335 -0.741 20 0 EBADRP CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@H](CC[NH3+])C1)S(C)(=O)=O ZINC000923492449 650342430 /nfs/dbraw/zinc/34/24/30/650342430.db2.gz OPYYBRJPQISAKS-AWEZNQCLSA-N 2 0 348.513 -0.167 20 0 EBADRP CCOC[C@@H](O)CN1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000923616326 650348086 /nfs/dbraw/zinc/34/80/86/650348086.db2.gz OWAZZQHZPBXBDF-KBPBESRZSA-N 2 0 335.470 -0.917 20 0 EBADRP O=S(=O)(NC1CC[NH+](C[C@H]2CCCO2)CC1)N1CC[NH2+]CC1 ZINC000923615285 650348134 /nfs/dbraw/zinc/34/81/34/650348134.db2.gz YESMEPISJAFKKL-CQSZACIVSA-N 2 0 332.470 -0.631 20 0 EBADRP C[N@@H+]1C[C@@H](O)C[C@H]1CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000924983376 650371215 /nfs/dbraw/zinc/37/12/15/650371215.db2.gz FDFIIJIIQQEEMX-HOTGVXAUSA-N 2 0 347.463 -0.225 20 0 EBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000925168034 650373778 /nfs/dbraw/zinc/37/37/78/650373778.db2.gz GGATWFMWAHLTDZ-HZSPNIEDSA-N 2 0 328.482 -0.068 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C[C@@H]1C ZINC000926342530 650387707 /nfs/dbraw/zinc/38/77/07/650387707.db2.gz AGBGJJWGNMJWHP-ZQIUZPCESA-N 2 0 340.468 -0.370 20 0 EBADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)CCO1 ZINC000926332503 650386710 /nfs/dbraw/zinc/38/67/10/650386710.db2.gz GEDVKTYNRPIIEL-WMLDXEAASA-N 2 0 338.452 -0.480 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)CC[C@H]1C[NH3+] ZINC000926336525 650387192 /nfs/dbraw/zinc/38/71/92/650387192.db2.gz XYFMGXMLRMOOCE-HZSPNIEDSA-N 2 0 326.441 -0.781 20 0 EBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCNCC[NH2+]CC2)C[C@H]1C ZINC000926345033 650388102 /nfs/dbraw/zinc/38/81/02/650388102.db2.gz NAWDPRXXOVDJGY-HUUCEWRRSA-N 2 0 339.484 -0.661 20 0 EBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000926351247 650388454 /nfs/dbraw/zinc/38/84/54/650388454.db2.gz HTFOTMLLBRMZPF-CZUORRHYSA-N 2 0 326.441 -0.901 20 0 EBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000926375841 650389825 /nfs/dbraw/zinc/38/98/25/650389825.db2.gz WYIFQULDMMOMPH-XJKSGUPXSA-N 2 0 326.441 -0.712 20 0 EBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926371818 650389833 /nfs/dbraw/zinc/38/98/33/650389833.db2.gz NZTHJOZIMQXGPB-HNNXBMFYSA-N 2 0 326.441 -0.759 20 0 EBADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCC[C@]([NH3+])(CO)C3)C2)C1 ZINC000926410903 650391864 /nfs/dbraw/zinc/39/18/64/650391864.db2.gz BVPPSZNIIZZJKC-DLBZAZTESA-N 2 0 338.452 -0.757 20 0 EBADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)[N@H+](C)C1 ZINC000926420914 650392025 /nfs/dbraw/zinc/39/20/25/650392025.db2.gz YVAVAONXBQPSLN-KBXIAJHMSA-N 2 0 340.468 -0.393 20 0 EBADRP O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000927628947 651504484 /nfs/dbraw/zinc/50/44/84/651504484.db2.gz BPWWAKPAKRQFQT-GDBMZVCRSA-N 2 0 338.452 -0.300 20 0 EBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000929094557 651531402 /nfs/dbraw/zinc/53/14/02/651531402.db2.gz UPNZMOIXTZBHJP-CABCVRRESA-N 2 0 340.468 -0.498 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C[NH+](C)C ZINC000929507242 651550816 /nfs/dbraw/zinc/55/08/16/651550816.db2.gz RSESKJXXFZZSAJ-RBSFLKMASA-N 2 0 340.468 -0.188 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C1CCOCC1)C1CC1 ZINC000929713927 651561801 /nfs/dbraw/zinc/56/18/01/651561801.db2.gz YZDGVLNMCPKEPM-HNNXBMFYSA-N 2 0 338.452 -0.434 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)C[NH+](C)C ZINC000929991780 651575124 /nfs/dbraw/zinc/57/51/24/651575124.db2.gz JISZXTRKORZTQH-CABCVRRESA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000930491180 651598297 /nfs/dbraw/zinc/59/82/97/651598297.db2.gz OEGJXHWRAIYMQB-FHKFTOANSA-N 2 0 334.464 -0.005 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)C[NH+](C)C ZINC000930490988 651598793 /nfs/dbraw/zinc/59/87/93/651598793.db2.gz KAEQNJPXNVAJCA-CFVMTHIKSA-N 2 0 340.468 -0.332 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC000931396549 651630676 /nfs/dbraw/zinc/63/06/76/651630676.db2.gz AYSCERWBKLHUHU-KBPBESRZSA-N 2 0 338.452 -0.086 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)C[NH+](C)C ZINC000932470461 651682763 /nfs/dbraw/zinc/68/27/63/651682763.db2.gz ZVKNRGUYDSBINJ-GJZGRUSLSA-N 2 0 342.484 -0.131 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)C[NH+](C)C ZINC000932470991 651683099 /nfs/dbraw/zinc/68/30/99/651683099.db2.gz CYGBUEWZJAVTFD-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP O=C(N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C12CC[NH+](CC1)C2 ZINC000938320072 652195836 /nfs/dbraw/zinc/19/58/36/652195836.db2.gz YRTICWUXGWFPMN-AWEZNQCLSA-N 2 0 332.448 -0.105 20 0 EBADRP C[C@@H](O)C[NH+]1CC(N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC000941474949 652758757 /nfs/dbraw/zinc/75/87/57/652758757.db2.gz GKCOXHODDTUWNQ-OAHLLOKOSA-N 2 0 336.480 -0.176 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCN(C2C[NH+](C[C@@H]3CCOC3)C2)CC1 ZINC000941668966 652869985 /nfs/dbraw/zinc/86/99/85/652869985.db2.gz UIDLWQWCHNVFDY-INIZCTEOSA-N 2 0 336.480 -0.053 20 0 EBADRP NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000946592873 653161893 /nfs/dbraw/zinc/16/18/93/653161893.db2.gz ZNBBUMMPHPOVRA-OWCLPIDISA-N 2 0 334.464 -0.016 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+]([C@@H]4CCNC4=O)C[C@H]3CC2)C1 ZINC000946892608 653256918 /nfs/dbraw/zinc/25/69/18/653256918.db2.gz HKNJORHURDSXLI-QKPAOTATSA-N 2 0 334.464 -0.003 20 0 EBADRP COCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958171529 722317946 /nfs/dbraw/zinc/31/79/46/722317946.db2.gz KDQWAISMHBJAAH-GJZGRUSLSA-N 2 0 325.453 -0.082 20 0 EBADRP Cn1nccc1CC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC000958375659 722354369 /nfs/dbraw/zinc/35/43/69/722354369.db2.gz VKQGOUONGYXQHD-NVXWUHKLSA-N 2 0 349.479 -0.287 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NC[C@H]2C[N@H+](CCCF)C[C@H]2O)cn1 ZINC000958466813 722371345 /nfs/dbraw/zinc/37/13/45/722371345.db2.gz BDWUPZGIOPKRBU-DZGCQCFKSA-N 2 0 341.431 -0.173 20 0 EBADRP COCC[N@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](O)C1 ZINC000958467387 722371371 /nfs/dbraw/zinc/37/13/71/722371371.db2.gz HRBGMTXRUXHJFM-UKRRQHHQSA-N 2 0 339.440 -0.886 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N(C)C4CC4)C[C@H]32)CC[N@@H+]1C ZINC000959968644 722778652 /nfs/dbraw/zinc/77/86/52/722778652.db2.gz SXFYWOXDTZGJOJ-QVDCYYDOSA-N 2 0 334.464 -0.006 20 0 EBADRP C[C@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cn2c(n1)CCCC2 ZINC000960002796 722782002 /nfs/dbraw/zinc/78/20/02/722782002.db2.gz MMYIQVSEBRSBLP-KBNOKHGBSA-N 2 0 331.420 -0.318 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)nc1=O ZINC000960216419 722807214 /nfs/dbraw/zinc/80/72/14/722807214.db2.gz HQILXKWCBZLSEG-OLZOCXBDSA-N 2 0 336.440 -0.469 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC000960577855 722840630 /nfs/dbraw/zinc/84/06/30/722840630.db2.gz KOVNSEFHLLPIIK-SFDCQRBFSA-N 2 0 349.435 -0.931 20 0 EBADRP O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2)N1CCC1 ZINC000960774759 722863651 /nfs/dbraw/zinc/86/36/51/722863651.db2.gz MILOGBLPVUWDEO-FOLVSLTJSA-N 2 0 332.448 -0.107 20 0 EBADRP CN1CCC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CC[NH+](C)CC2)C1=O ZINC000961657292 723053447 /nfs/dbraw/zinc/05/34/47/723053447.db2.gz CYPRLMNPYKYOJD-XUWVNRHRSA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC000961767751 723076470 /nfs/dbraw/zinc/07/64/70/723076470.db2.gz YSEIILOLRAPLAL-ZXTQRBJTSA-N 2 0 348.447 -0.476 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC000961767750 723076585 /nfs/dbraw/zinc/07/65/85/723076585.db2.gz YSEIILOLRAPLAL-UYAYXHRUSA-N 2 0 348.447 -0.476 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC000961771000 723077746 /nfs/dbraw/zinc/07/77/46/723077746.db2.gz IWQIMPMQVZFCIA-UYAYXHRUSA-N 2 0 348.447 -0.334 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC000961777326 723078935 /nfs/dbraw/zinc/07/89/35/723078935.db2.gz YYJAMTHHJSMVSW-FOCJUVANSA-N 2 0 349.435 -0.931 20 0 EBADRP O=C(N1CC[C@H]([NH2+]CCN2CCNC2=O)C1)C12CCC[NH+]1CCC2 ZINC001019087801 728792459 /nfs/dbraw/zinc/79/24/59/728792459.db2.gz DQIMBBBCQMMAOY-AWEZNQCLSA-N 2 0 335.452 -0.170 20 0 EBADRP Cn1nnnc1C[NH2+]CC1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000962032177 723153237 /nfs/dbraw/zinc/15/32/37/723153237.db2.gz DRYDHLPURTXOGA-UHFFFAOYSA-N 2 0 333.440 -0.177 20 0 EBADRP CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C23CC[NH+](CC2)C3)C1=O ZINC000962301832 723221778 /nfs/dbraw/zinc/22/17/78/723221778.db2.gz XKFXWCKBDLTVJN-LJISPDSOSA-N 2 0 332.448 -0.251 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[NH+](CCN4CCCC4=O)C[C@H]32)C1 ZINC000962311223 723223933 /nfs/dbraw/zinc/22/39/33/723223933.db2.gz XDORSZMHFKJJAJ-OIPACUDHSA-N 2 0 334.464 -0.003 20 0 EBADRP Cn1nnnc1C[NH2+]CC1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000962385767 723236995 /nfs/dbraw/zinc/23/69/95/723236995.db2.gz SSDAVMQXAALRGL-UHFFFAOYSA-N 2 0 335.456 -0.074 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NC1CC(C[NH2+]Cc2nnnn2C)C1 ZINC000962545014 723280720 /nfs/dbraw/zinc/28/07/20/723280720.db2.gz IUWITVVLLIXMDH-UHFFFAOYSA-N 2 0 344.423 -0.031 20 0 EBADRP NC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)C1 ZINC000963839753 723498716 /nfs/dbraw/zinc/49/87/16/723498716.db2.gz XFIMMEYKXANYNU-OEQALTSJSA-N 2 0 336.436 -0.648 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001019383309 728875789 /nfs/dbraw/zinc/87/57/89/728875789.db2.gz BZAZWOLEDRAYRB-KGLIPLIRSA-N 2 0 336.436 -0.332 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001019383304 728876063 /nfs/dbraw/zinc/87/60/63/728876063.db2.gz BZAZWOLEDRAYRB-KBPBESRZSA-N 2 0 336.436 -0.332 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1)[NH+](C)C ZINC000968456661 725066602 /nfs/dbraw/zinc/06/66/02/725066602.db2.gz VIUMRJQWMWMPBA-ILXRZTDVSA-N 2 0 340.468 -0.644 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H]([NH2+]CCn3cncn3)C2)n1 ZINC000968718841 725109116 /nfs/dbraw/zinc/10/91/16/725109116.db2.gz AVRYJPSNYAYAMY-CQSZACIVSA-N 2 0 346.439 -0.460 20 0 EBADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1)C(N)=O ZINC001019576324 728926284 /nfs/dbraw/zinc/92/62/84/728926284.db2.gz PWANOPRFCUXUQM-JSGCOSHPSA-N 2 0 326.441 -0.448 20 0 EBADRP O=C(N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)C12CCC[NH+](CCC1)C2 ZINC000969066027 725146535 /nfs/dbraw/zinc/14/65/35/725146535.db2.gz FOBGQKRONZFYQG-ZIAGYGMSSA-N 2 0 348.447 -0.142 20 0 EBADRP Cn1cncc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@H]1O ZINC000969076415 725148486 /nfs/dbraw/zinc/14/84/86/725148486.db2.gz VNWYIONQNGSKFO-KFWWJZLASA-N 2 0 349.435 -0.865 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1)[NH+](C)C ZINC000969077374 725148658 /nfs/dbraw/zinc/14/86/58/725148658.db2.gz PILBDGXWYRHLMY-RBSFLKMASA-N 2 0 340.468 -0.236 20 0 EBADRP O=C(C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1)N1CCC1 ZINC000969407757 725177253 /nfs/dbraw/zinc/17/72/53/725177253.db2.gz UIUQFXWFABDCMH-NWPKHEMWSA-N 2 0 348.447 -0.728 20 0 EBADRP CC(C)(C(=O)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)[NH+]1CCCC1 ZINC000969564559 725193094 /nfs/dbraw/zinc/19/30/94/725193094.db2.gz WFRLDZJTPKWBFN-CHWSQXEVSA-N 2 0 336.436 -0.144 20 0 EBADRP C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1C[NH+](CCN2CCNC2=O)C1 ZINC000969676754 725202141 /nfs/dbraw/zinc/20/21/41/725202141.db2.gz IEJBKFFFSBHOHC-CZUORRHYSA-N 2 0 349.479 -0.210 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC000969956517 725231921 /nfs/dbraw/zinc/23/19/21/725231921.db2.gz XWCKUTGQFIEEBK-QWHCGFSZSA-N 2 0 337.424 -0.930 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N2CC[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC000969965780 725233195 /nfs/dbraw/zinc/23/31/95/725233195.db2.gz XODUOIJZNCBXMO-OLZOCXBDSA-N 2 0 336.436 -0.286 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1)[NH+](C)C ZINC000969985964 725235205 /nfs/dbraw/zinc/23/52/05/725235205.db2.gz PILBDGXWYRHLMY-ZNMIVQPWSA-N 2 0 340.468 -0.236 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@H]([N@H+](C)[C@@H]3CCNC3=O)C2)n1 ZINC000971555649 725420941 /nfs/dbraw/zinc/42/09/41/725420941.db2.gz IDXZSDAOZKFMQZ-DZGCQCFKSA-N 2 0 348.451 -0.521 20 0 EBADRP C[NH+]([C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1)[C@H]1CCC(=O)NC1=O ZINC000971687088 725430463 /nfs/dbraw/zinc/43/04/63/725430463.db2.gz IUCKCIURUJBTGN-KGLIPLIRSA-N 2 0 336.436 -0.191 20 0 EBADRP C[N@H+](CCN1C(=O)CNC1=O)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972739947 725589264 /nfs/dbraw/zinc/58/92/64/725589264.db2.gz JDTMROUSKNKUFJ-ZDUSSCGKSA-N 2 0 349.435 -0.833 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1)C1CC1 ZINC000991896459 725670658 /nfs/dbraw/zinc/67/06/58/725670658.db2.gz WBDAAFLJIKKQRF-HOTGVXAUSA-N 2 0 334.464 -0.005 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NC2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000992022843 725703652 /nfs/dbraw/zinc/70/36/52/725703652.db2.gz NDTABMCJKONNTI-CYBMUJFWSA-N 2 0 348.451 -0.663 20 0 EBADRP O=C(Cc1ncc[nH]1)N1CC(NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000993573674 725907614 /nfs/dbraw/zinc/90/76/14/725907614.db2.gz ZXRAIDKNRGWFMC-CHWSQXEVSA-N 2 0 333.392 -0.858 20 0 EBADRP O=C(NC1CN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000993582083 725911921 /nfs/dbraw/zinc/91/19/21/725911921.db2.gz UBLYLGYVTNTLPT-GJZGRUSLSA-N 2 0 348.447 -0.728 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC000976266470 726245806 /nfs/dbraw/zinc/24/58/06/726245806.db2.gz GFNTWXVPRPIIFR-XUWVNRHRSA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC000976542119 726341329 /nfs/dbraw/zinc/34/13/29/726341329.db2.gz SNKYXRDAZDFFOI-NPCUJANDSA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@H]32)CC[N@@H+]1C ZINC000976595939 726357678 /nfs/dbraw/zinc/35/76/78/726357678.db2.gz ODGILEGOMMLSBG-FWXGHANASA-N 2 0 334.464 -0.006 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000996439776 726393609 /nfs/dbraw/zinc/39/36/09/726393609.db2.gz FFPFBJUWVMCMGP-BBRMVZONSA-N 2 0 334.464 -0.003 20 0 EBADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC000996518613 726409959 /nfs/dbraw/zinc/40/99/59/726409959.db2.gz FQUMOXXZWFLWRM-CHWSQXEVSA-N 2 0 348.447 -0.286 20 0 EBADRP Cn1nnnc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000996621738 726420313 /nfs/dbraw/zinc/42/03/13/726420313.db2.gz SJMLOPMUWFLFPJ-KBPBESRZSA-N 2 0 349.439 -0.846 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CCC([NH2+][C@H]2CCC(=O)NC2=O)CC1)C1CC1 ZINC000996681245 726422120 /nfs/dbraw/zinc/42/21/20/726422120.db2.gz YMLUTOKNRZBGGS-DZGCQCFKSA-N 2 0 336.436 -0.288 20 0 EBADRP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000996821715 726428822 /nfs/dbraw/zinc/42/88/22/726428822.db2.gz HXGUMMSLDDESSK-VTPHYOBMSA-N 2 0 348.447 -0.681 20 0 EBADRP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000996821711 726428882 /nfs/dbraw/zinc/42/88/82/726428882.db2.gz HXGUMMSLDDESSK-HBSJQHRPSA-N 2 0 348.447 -0.681 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC(NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC000997065956 726437049 /nfs/dbraw/zinc/43/70/49/726437049.db2.gz RGYVGWFZMBDRQQ-FLRRBRPGSA-N 2 0 348.447 -0.872 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC000997065962 726437068 /nfs/dbraw/zinc/43/70/68/726437068.db2.gz RGYVGWFZMBDRQQ-IBTMFYDMSA-N 2 0 348.447 -0.872 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC(NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC000997065959 726437075 /nfs/dbraw/zinc/43/70/75/726437075.db2.gz RGYVGWFZMBDRQQ-HGGZBGRVSA-N 2 0 348.447 -0.872 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CCC([NH2+][C@@H]3CCNC3=O)CC2)CC1 ZINC000997125416 726439249 /nfs/dbraw/zinc/43/92/49/726439249.db2.gz GSHPVEZYVKBYSB-OAHLLOKOSA-N 2 0 338.452 -0.434 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC000997611791 726457402 /nfs/dbraw/zinc/45/74/02/726457402.db2.gz HKJGMBGIODGVIN-ZIAGYGMSSA-N 2 0 336.436 -0.286 20 0 EBADRP O=C(N1CCC(C[NH2+][C@H]2CCC(=O)NC2=O)CC1)C12CC[NH+](CC1)C2 ZINC000998221856 726481352 /nfs/dbraw/zinc/48/13/52/726481352.db2.gz IRDAKKWDWXAXGI-AWEZNQCLSA-N 2 0 348.447 -0.284 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC000998731970 726496253 /nfs/dbraw/zinc/49/62/53/726496253.db2.gz PWQSBBSYDFAZQB-KBPBESRZSA-N 2 0 336.436 -0.190 20 0 EBADRP CN(C(=O)C1CC[NH+](C)CC1)C1CC([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC000999340526 726515078 /nfs/dbraw/zinc/51/50/78/726515078.db2.gz AQTBYLDYAGMQFV-JXQTWKCFSA-N 2 0 336.436 -0.288 20 0 EBADRP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC000999711107 726529225 /nfs/dbraw/zinc/52/92/25/726529225.db2.gz VDCGXFXUIYLBCS-WXRRBKDZSA-N 2 0 334.420 -0.534 20 0 EBADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]CC(=O)N2CCOCC2)C1 ZINC000999836256 726534271 /nfs/dbraw/zinc/53/42/71/726534271.db2.gz ITYPFPDMENMIMR-WLYUNCDWSA-N 2 0 338.452 -0.624 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CCC[C@@H]([NH2+][C@@H]3CCNC3=O)C2)cn1 ZINC001000429367 726566848 /nfs/dbraw/zinc/56/68/48/726566848.db2.gz CEQXQJYQUZMNKL-HUUCEWRRSA-N 2 0 348.451 -0.473 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC001000518890 726569541 /nfs/dbraw/zinc/56/95/41/726569541.db2.gz RVUXIOKCOYRPJQ-HNNXBMFYSA-N 2 0 348.447 -0.022 20 0 EBADRP O=C(N1CCC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001000704404 726575734 /nfs/dbraw/zinc/57/57/34/726575734.db2.gz XLKSORVBTJSCOK-STQMWFEESA-N 2 0 334.420 -0.532 20 0 EBADRP Cc1nc[nH]c1CC(=O)NC1CC[NH+](CCN2CCNC2=O)CC1 ZINC001004053077 726698156 /nfs/dbraw/zinc/69/81/56/726698156.db2.gz LCWKLZAVPWNKHY-UHFFFAOYSA-N 2 0 334.424 -0.134 20 0 EBADRP CN(C(=O)C[NH+]1CCCC1)C1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001006407308 726768010 /nfs/dbraw/zinc/76/80/10/726768010.db2.gz MOAQRFDPYPUWDJ-AWEZNQCLSA-N 2 0 336.436 -0.190 20 0 EBADRP Cn1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@H]3CN(C)CCO3)C2)cc1=O ZINC001007003604 726788614 /nfs/dbraw/zinc/78/86/14/726788614.db2.gz QSDUENDYRLZKCO-HZPDHXFCSA-N 2 0 348.447 -0.204 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1 ZINC001009273881 726884362 /nfs/dbraw/zinc/88/43/62/726884362.db2.gz DLVSPGAWBHQPHH-FPCVCCKLSA-N 2 0 346.475 -0.146 20 0 EBADRP Cn1cc(C[NH2+]C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CCO2)cn1 ZINC001051904107 735455917 /nfs/dbraw/zinc/45/59/17/735455917.db2.gz APESAKLBHYFDTD-OAHLLOKOSA-N 2 0 333.436 -0.167 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCO[C@@H](C[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001051931423 735469495 /nfs/dbraw/zinc/46/94/95/735469495.db2.gz AMIYMFMOMSAIQY-CABCVRRESA-N 2 0 348.451 -0.322 20 0 EBADRP O=C(N[C@@H]1CC12CC[NH+](CCO)CC2)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001016740594 728499997 /nfs/dbraw/zinc/49/99/97/728499997.db2.gz KYLBDOVJLPETEM-NWPKHEMWSA-N 2 0 335.448 -0.187 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CC23CC[NH+](CC(N)=O)CC3)cn1 ZINC001016870967 728519268 /nfs/dbraw/zinc/51/92/68/728519268.db2.gz USJXEEXSWPVTTO-CQSZACIVSA-N 2 0 348.451 -0.486 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@H]([NH2+][C@@H]3CCCNC3=O)C2)n1 ZINC001018861259 728696171 /nfs/dbraw/zinc/69/61/71/728696171.db2.gz QSWMHSLUIAKHPD-UONOGXRCSA-N 2 0 348.451 -0.473 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)C1 ZINC001019772987 728988744 /nfs/dbraw/zinc/98/87/44/728988744.db2.gz YYNDZSXTKJPTCG-CABCVRRESA-N 2 0 343.493 -0.047 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001019779102 728989247 /nfs/dbraw/zinc/98/92/47/728989247.db2.gz LTMBRCACOIEPFB-GJZGRUSLSA-N 2 0 338.452 -0.623 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)nc1=O ZINC001020150643 729086231 /nfs/dbraw/zinc/08/62/31/729086231.db2.gz ZQQHTWARKLAFIE-XUXIUFHCSA-N 2 0 348.451 -0.280 20 0 EBADRP O=C(N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001020162646 729088695 /nfs/dbraw/zinc/08/86/95/729088695.db2.gz PJYNXIVVCMBLPA-IHRRRGAJSA-N 2 0 349.435 -0.883 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnc4n3CCOC4)C2)CC[N@@H+]1C ZINC001020171306 729089881 /nfs/dbraw/zinc/08/98/81/729089881.db2.gz WFPVDWSONMOTRX-AAVRWANBSA-N 2 0 348.451 -0.115 20 0 EBADRP Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)nn1 ZINC001020178656 729091711 /nfs/dbraw/zinc/09/17/11/729091711.db2.gz AOQGJODZBMLUEW-NZBPQXDJSA-N 2 0 334.424 -0.585 20 0 EBADRP Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001020178784 729092159 /nfs/dbraw/zinc/09/21/59/729092159.db2.gz FBRUKEAYNYDCOO-XDQVBPFNSA-N 2 0 334.424 -0.585 20 0 EBADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCCC3)C2)O1 ZINC001020286692 729124238 /nfs/dbraw/zinc/12/42/38/729124238.db2.gz JNZGDFZERUOAIZ-KBUPBQIOSA-N 2 0 338.452 -0.435 20 0 EBADRP O=C(N[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001020432246 729166007 /nfs/dbraw/zinc/16/60/07/729166007.db2.gz GWNSGEILOJSDAH-RZLSGREXSA-N 2 0 348.447 -0.097 20 0 EBADRP O=C(N[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001020432245 729166115 /nfs/dbraw/zinc/16/61/15/729166115.db2.gz GWNSGEILOJSDAH-KQTLUZQSSA-N 2 0 348.447 -0.097 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC1 ZINC001020543518 729198954 /nfs/dbraw/zinc/19/89/54/729198954.db2.gz SQBTZRHYIWUIDU-HDJSIYSDSA-N 2 0 336.436 -0.286 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001020590316 729205914 /nfs/dbraw/zinc/20/59/14/729205914.db2.gz SDDQTGNBUZYMOZ-XDQVBPFNSA-N 2 0 336.436 -0.430 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)CCO1 ZINC001021044204 729274520 /nfs/dbraw/zinc/27/45/20/729274520.db2.gz JTKXHGFTNKVVAV-XGUBFFRZSA-N 2 0 338.452 -0.578 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnc4n3CCOC4)C2)C1 ZINC001021047990 729274813 /nfs/dbraw/zinc/27/48/13/729274813.db2.gz TYBMXMVSLIRAHK-JHJVBQTASA-N 2 0 334.424 -0.503 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001021095962 729282595 /nfs/dbraw/zinc/28/25/95/729282595.db2.gz DLQJBLCHHAJQPW-JHJVBQTASA-N 2 0 336.440 -0.280 20 0 EBADRP O=C(N[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)C12CCC[NH+](CCC1)C2 ZINC001022274071 729473239 /nfs/dbraw/zinc/47/32/39/729473239.db2.gz KCMGZKRDCVTTOR-MJBXVCDLSA-N 2 0 348.447 -0.096 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnc4n3CCOC4)C2)C1 ZINC001022973323 729567133 /nfs/dbraw/zinc/56/71/33/729567133.db2.gz HEYQBKLEBDGOFR-MELADBBJSA-N 2 0 348.451 -0.113 20 0 EBADRP O=C(N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)C12CC[NH+](CC1)C2 ZINC001022981598 729569978 /nfs/dbraw/zinc/56/99/78/729569978.db2.gz WMFFARSQQQIKBK-MELADBBJSA-N 2 0 341.477 -0.246 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)C1 ZINC001023084043 729598069 /nfs/dbraw/zinc/59/80/69/729598069.db2.gz GWQWIVLIQHITMH-SOUVJXGZSA-N 2 0 343.493 0.000 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)C1 ZINC001023084042 729598165 /nfs/dbraw/zinc/59/81/65/729598165.db2.gz GWQWIVLIQHITMH-KFWWJZLASA-N 2 0 343.493 0.000 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCCS3(=O)=O)C2)C1 ZINC001023084746 729598348 /nfs/dbraw/zinc/59/83/48/729598348.db2.gz YQHCPLNEOFMKMV-MCIONIFRSA-N 2 0 344.481 -0.790 20 0 EBADRP O=C(NC[C@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001023703182 729755762 /nfs/dbraw/zinc/75/57/62/729755762.db2.gz CIPLZKDLRPJVAL-KGLIPLIRSA-N 2 0 348.447 -0.284 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023798148 729801144 /nfs/dbraw/zinc/80/11/44/729801144.db2.gz LIPRNHCKDZGHJL-RBSFLKMASA-N 2 0 338.452 -0.746 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1)C1CC1 ZINC001023797324 729801261 /nfs/dbraw/zinc/80/12/61/729801261.db2.gz ZCFBIEPVMLZKGY-IIAWOOMASA-N 2 0 338.452 -0.890 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)[NH+](C)C ZINC001024416695 729884749 /nfs/dbraw/zinc/88/47/49/729884749.db2.gz VIUMRJQWMWMPBA-RBSFLKMASA-N 2 0 340.468 -0.644 20 0 EBADRP CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+]3CCC2CC3)C1=O ZINC001025787565 730088385 /nfs/dbraw/zinc/08/83/85/730088385.db2.gz UAMZEIYMOPYYOO-ZOFXXKQRSA-N 2 0 346.475 -0.005 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)CC[N@@H+]1C ZINC001025795072 730089433 /nfs/dbraw/zinc/08/94/33/730089433.db2.gz PGQWYMIBQUYRCV-FPXDANJGSA-N 2 0 348.447 -0.432 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001025802374 730091528 /nfs/dbraw/zinc/09/15/28/730091528.db2.gz ARCQWTGCYIOCEB-QLFBSQMISA-N 2 0 349.435 -0.486 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001026040881 730117278 /nfs/dbraw/zinc/11/72/78/730117278.db2.gz SVLSFEADLBVPNX-VBTGVMJWSA-N 2 0 334.420 -0.678 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001026045543 730118016 /nfs/dbraw/zinc/11/80/16/730118016.db2.gz GMHQWUKEMPGQED-MAKQCAJESA-N 2 0 348.447 -0.621 20 0 EBADRP CC(C)N1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001026145979 730125659 /nfs/dbraw/zinc/12/56/59/730125659.db2.gz BQGPOZYZMDCXRJ-LJIZCISZSA-N 2 0 334.464 -0.006 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001026149592 730126665 /nfs/dbraw/zinc/12/66/65/730126665.db2.gz YTLVAPIWEIOMKO-OJKRMQCYSA-N 2 0 348.447 -0.288 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CCO)[C@@H]3C2)n1 ZINC001026270088 730134879 /nfs/dbraw/zinc/13/48/79/730134879.db2.gz XCAVQLDDSMXXEJ-ZNMIVQPWSA-N 2 0 335.452 -0.123 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nc1=O ZINC001026886603 730167241 /nfs/dbraw/zinc/16/72/41/730167241.db2.gz BJEQGRTZQYRHTG-SMDDNHRTSA-N 2 0 336.440 -0.613 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001027064614 730185982 /nfs/dbraw/zinc/18/59/82/730185982.db2.gz HYYPSIOMLRGOTP-STQMWFEESA-N 2 0 336.440 -0.612 20 0 EBADRP C[N@H+]([C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1CCC(=O)NC1=O ZINC001027651353 730231515 /nfs/dbraw/zinc/23/15/15/730231515.db2.gz KQWSLTWSJIYVJS-ZIAGYGMSSA-N 2 0 348.447 -0.190 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCN1C(=O)CNC1=O ZINC001027790311 730238739 /nfs/dbraw/zinc/23/87/39/730238739.db2.gz QIMYLSFSWQKTDI-CHWSQXEVSA-N 2 0 337.424 -0.787 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001028549067 730312113 /nfs/dbraw/zinc/31/21/13/730312113.db2.gz LJJFXASGCMIEKI-QLFBSQMISA-N 2 0 337.468 -0.210 20 0 EBADRP C[C@H]([NH2+]Cc1nnnn1C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001029170327 730392497 /nfs/dbraw/zinc/39/24/97/730392497.db2.gz MTJFCUDFKOWSES-GXTWGEPZSA-N 2 0 335.456 -0.122 20 0 EBADRP CCN1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3[C@H]2CCNC2=O)C1 ZINC001029591709 730412258 /nfs/dbraw/zinc/41/22/58/730412258.db2.gz IQXRTGYGDDCIAH-LJISPDSOSA-N 2 0 336.436 -0.729 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001030032309 730538772 /nfs/dbraw/zinc/53/87/72/730538772.db2.gz UIWJDBBFUUWLKP-HRCADAONSA-N 2 0 335.452 -0.081 20 0 EBADRP O=C(NCC1C[NH+](C[C@@H](O)Cn2cccn2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001031672536 730749078 /nfs/dbraw/zinc/74/90/78/730749078.db2.gz JKZXSYYIQLEDMQ-SJORKVTESA-N 2 0 347.463 -0.366 20 0 EBADRP Cn1nccc1CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001031689103 730751311 /nfs/dbraw/zinc/75/13/11/730751311.db2.gz SCMNYGXGJSYLOM-IRXDYDNUSA-N 2 0 347.463 -0.126 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NCC2C[NH+](CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001031925320 730793113 /nfs/dbraw/zinc/79/31/13/730793113.db2.gz DTLCMMHFJFAGNI-ZFWWWQNUSA-N 2 0 337.468 -0.210 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001032839760 730943182 /nfs/dbraw/zinc/94/31/82/730943182.db2.gz WGAUBSSIXAFDDM-OAGGEKHMSA-N 2 0 335.452 -0.081 20 0 EBADRP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001033582010 731043593 /nfs/dbraw/zinc/04/35/93/731043593.db2.gz NCNVZGHGGSAHPK-CABCVRRESA-N 2 0 337.468 -0.114 20 0 EBADRP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001033664310 731058420 /nfs/dbraw/zinc/05/84/20/731058420.db2.gz FQZWOOSQAGIOCG-CQSZACIVSA-N 2 0 336.436 -0.236 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nnnn2C)CC1 ZINC001034738889 731154727 /nfs/dbraw/zinc/15/47/27/731154727.db2.gz XJTTYAGGSLDGCO-SYQHCUMBSA-N 2 0 335.456 -0.075 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001034793434 731157488 /nfs/dbraw/zinc/15/74/88/731157488.db2.gz AOPOHZIJXKRAGL-IHRRRGAJSA-N 2 0 336.436 -0.096 20 0 EBADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CC[C@H]1[NH2+]CC(N)=O ZINC001036212667 731258532 /nfs/dbraw/zinc/25/85/32/731258532.db2.gz YWIASOSIAKSEHZ-TZMCWYRMSA-N 2 0 336.440 -0.630 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001040099733 731597719 /nfs/dbraw/zinc/59/77/19/731597719.db2.gz LAJXKNBDOYNVKW-QGZVFWFLSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)CCC[NH+](C)C)C1)[NH+](C)C ZINC001040360256 731712964 /nfs/dbraw/zinc/71/29/64/731712964.db2.gz VNNKLMUMVAWGNW-YOEHRIQHSA-N 2 0 342.484 -0.252 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040451262 731739524 /nfs/dbraw/zinc/73/95/24/731739524.db2.gz SXFGMWOITGRKGK-MRXNPFEDSA-N 2 0 328.457 -0.641 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001040495635 731759434 /nfs/dbraw/zinc/75/94/34/731759434.db2.gz OMOKFHFPQAHTAL-PBHICJAKSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001040496448 731759786 /nfs/dbraw/zinc/75/97/86/731759786.db2.gz WPLDWJGWMQXZIA-CJNGLKHVSA-N 2 0 326.441 -0.888 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001040801780 731881612 /nfs/dbraw/zinc/88/16/12/731881612.db2.gz UUZSXVDIRRNJFH-KRWDZBQOSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)[C@H](CC)[NH+](C)C)C1)[NH+](C)C ZINC001040937529 731930524 /nfs/dbraw/zinc/93/05/24/731930524.db2.gz YUIBJUMEQWBMOW-GRDNDAEWSA-N 2 0 342.484 -0.254 20 0 EBADRP CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)[NH+](C)C ZINC001043115584 732765260 /nfs/dbraw/zinc/76/52/60/732765260.db2.gz IKZKSNSSFVQSHT-ZIAGYGMSSA-N 2 0 340.468 -0.786 20 0 EBADRP CC[C@H](C(=O)N1CC(O)(CNC(=O)C[NH+](CC)CC)C1)[NH+](C)C ZINC001043158437 732795210 /nfs/dbraw/zinc/79/52/10/732795210.db2.gz YHQCKYAVFWGRNE-CYBMUJFWSA-N 2 0 328.457 -0.642 20 0 EBADRP CC[C@H](C(=O)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1)[NH+](C)C ZINC001043677310 733054851 /nfs/dbraw/zinc/05/48/51/733054851.db2.gz GJAPEDIXTYJQLQ-CYBMUJFWSA-N 2 0 338.452 -0.888 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001043677316 733054940 /nfs/dbraw/zinc/05/49/40/733054940.db2.gz GMIDHBRGRAZTEL-CYBMUJFWSA-N 2 0 328.457 -0.642 20 0 EBADRP CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1)[NH+](C)C ZINC001043677327 733055058 /nfs/dbraw/zinc/05/50/58/733055058.db2.gz GQPRRNGJVMSNNO-ZIAGYGMSSA-N 2 0 340.468 -0.644 20 0 EBADRP CC[C@H](C(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1)[NH+](C)C ZINC001043677068 733055117 /nfs/dbraw/zinc/05/51/17/733055117.db2.gz FHOROFWHGNVRJI-CYBMUJFWSA-N 2 0 328.457 -0.642 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001044022820 733249855 /nfs/dbraw/zinc/24/98/55/733249855.db2.gz CEKJOIQRMGLFPG-UHFFFAOYSA-N 2 0 338.452 -0.887 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001044302049 733368063 /nfs/dbraw/zinc/36/80/63/733368063.db2.gz FMQVDWGNUYBWNX-UHFFFAOYSA-N 2 0 340.468 -0.641 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)C[NH+](C)C(C)C)C1 ZINC001044303052 733368888 /nfs/dbraw/zinc/36/88/88/733368888.db2.gz SBUSHZDHARUTFV-UHFFFAOYSA-N 2 0 328.457 -0.642 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001061723902 738724333 /nfs/dbraw/zinc/72/43/33/738724333.db2.gz GVKVYSSQHKUGPU-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001061723903 738724406 /nfs/dbraw/zinc/72/44/06/738724406.db2.gz GVKVYSSQHKUGPU-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001061741924 738733186 /nfs/dbraw/zinc/73/31/86/738733186.db2.gz YDDUALGHUHMILA-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001061741923 738733224 /nfs/dbraw/zinc/73/32/24/738733224.db2.gz YDDUALGHUHMILA-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC2(CO1)CC[NH+](CC(N)=O)CC2 ZINC001045662804 733748925 /nfs/dbraw/zinc/74/89/25/733748925.db2.gz FWNRGURZEPRUCE-UONOGXRCSA-N 2 0 338.452 -0.447 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC2(CO1)CC[NH+](CC(N)=O)CC2 ZINC001045662805 733749202 /nfs/dbraw/zinc/74/92/02/733749202.db2.gz FWNRGURZEPRUCE-ZIAGYGMSSA-N 2 0 338.452 -0.447 20 0 EBADRP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001045713958 733757723 /nfs/dbraw/zinc/75/77/23/733757723.db2.gz SXSCLVTUXLDTHD-CYBMUJFWSA-N 2 0 349.435 -0.913 20 0 EBADRP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001045713548 733757736 /nfs/dbraw/zinc/75/77/36/733757736.db2.gz JWCOBUWIFOSSKN-UHFFFAOYSA-N 2 0 342.484 -0.395 20 0 EBADRP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001045716927 733758906 /nfs/dbraw/zinc/75/89/06/733758906.db2.gz RCGHNLMGTVGIHV-UHFFFAOYSA-N 2 0 345.403 -0.411 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001046010379 733798542 /nfs/dbraw/zinc/79/85/42/733798542.db2.gz MBPAYRJZFBZPST-GJZGRUSLSA-N 2 0 337.468 -0.955 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCN([C@@H]2CCN(Cc3cnon3)C2)CC1 ZINC001046081510 733854214 /nfs/dbraw/zinc/85/42/14/733854214.db2.gz GRBKMWWJONWICR-MRXNPFEDSA-N 2 0 348.451 -0.116 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)C1 ZINC001046531950 733956462 /nfs/dbraw/zinc/95/64/62/733956462.db2.gz XSSBBPFQVQSBKE-ZIAGYGMSSA-N 2 0 340.468 -0.785 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001061827349 738772482 /nfs/dbraw/zinc/77/24/82/738772482.db2.gz HGGWHHIFWMCFPK-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001046677877 734000284 /nfs/dbraw/zinc/00/02/84/734000284.db2.gz ZHKSDXBHWQQIDV-UONOGXRCSA-N 2 0 338.452 -0.888 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001061862037 738790778 /nfs/dbraw/zinc/79/07/78/738790778.db2.gz PCGLAOUGLUWWSX-ZIAGYGMSSA-N 2 0 326.441 -0.767 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001061862035 738790982 /nfs/dbraw/zinc/79/09/82/738790982.db2.gz PCGLAOUGLUWWSX-KGLIPLIRSA-N 2 0 326.441 -0.767 20 0 EBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)[C@H]2C[NH+](CCCO)C[C@@H]2O)C1 ZINC001047408573 734178953 /nfs/dbraw/zinc/17/89/53/734178953.db2.gz ZNUWOKYDDLMGTI-PMPSAXMXSA-N 2 0 327.469 -0.150 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001061862661 738791376 /nfs/dbraw/zinc/79/13/76/738791376.db2.gz WQFWAUXNMWSCAJ-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP CN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001047463723 734207661 /nfs/dbraw/zinc/20/76/61/734207661.db2.gz PCWOGKUOEGZMKL-BFKWJSRZSA-N 2 0 335.448 -0.237 20 0 EBADRP CN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047529855 734241796 /nfs/dbraw/zinc/24/17/96/734241796.db2.gz QYBPLHMTCZCDJQ-IRXDYDNUSA-N 2 0 335.448 -0.100 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)N(C)[C@H]2C[N@H+](C[C@H](C)O)C[C@@H]2O)CC1 ZINC001047583844 734267809 /nfs/dbraw/zinc/26/78/09/734267809.db2.gz LIHJCZVHJJNFEG-BPUTZDHNSA-N 2 0 327.469 -0.009 20 0 EBADRP CN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047592092 734271235 /nfs/dbraw/zinc/27/12/35/734271235.db2.gz DYEINOGGEHOXBP-HOTGVXAUSA-N 2 0 325.453 -0.396 20 0 EBADRP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047598006 734275320 /nfs/dbraw/zinc/27/53/20/734275320.db2.gz QEUIWKOSKGPJFD-KKUMJFAQSA-N 2 0 336.440 -0.877 20 0 EBADRP CN(C(=O)C[NH+]1CCCC1)[C@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O ZINC001047627887 734289512 /nfs/dbraw/zinc/28/95/12/734289512.db2.gz YGQIANDGOQBWSV-HOTGVXAUSA-N 2 0 335.452 -0.438 20 0 EBADRP CN(C(=O)C[NH+]1CCCC1)[C@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O ZINC001047627609 734289633 /nfs/dbraw/zinc/28/96/33/734289633.db2.gz RVBQVEJREYCNIL-ILXRZTDVSA-N 2 0 348.451 -0.635 20 0 EBADRP C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001048061286 734341556 /nfs/dbraw/zinc/34/15/56/734341556.db2.gz AMHQJSQIEKQZKX-CHWSQXEVSA-N 2 0 336.440 -0.469 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001048723296 734483383 /nfs/dbraw/zinc/48/33/83/734483383.db2.gz AQBROSIDAHPWRR-RQJABVFESA-N 2 0 334.420 -0.724 20 0 EBADRP C[NH+](C)C1(C(=O)N2C[C@@H]3C[N@@H+](CCN4CCNC4=O)C[C@@H]3C2)CCC1 ZINC001048859933 734541877 /nfs/dbraw/zinc/54/18/77/734541877.db2.gz ACPCFAWRQUEPNW-GASCZTMLSA-N 2 0 349.479 -0.114 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@H]2C1)C1CC1 ZINC001048863915 734543480 /nfs/dbraw/zinc/54/34/80/734543480.db2.gz PUEZRAQILWJBHY-VBQJREDUSA-N 2 0 334.464 -0.005 20 0 EBADRP C[N@H+](CC(=O)N1C[C@@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1)C1CCC1 ZINC001048865136 734543595 /nfs/dbraw/zinc/54/35/95/734543595.db2.gz VXISKAATVVKCBM-GUTXKFCHSA-N 2 0 348.447 -0.334 20 0 EBADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001048873469 734549185 /nfs/dbraw/zinc/54/91/85/734549185.db2.gz GVDZSFAASRDMAD-ILXRZTDVSA-N 2 0 340.468 -0.690 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001048873363 734549688 /nfs/dbraw/zinc/54/96/88/734549688.db2.gz DKJZRBVKDGDURR-KKUMJFAQSA-N 2 0 340.468 -0.690 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001048874294 734550765 /nfs/dbraw/zinc/55/07/65/734550765.db2.gz WEMYYCYYACBJCT-KKUMJFAQSA-N 2 0 340.468 -0.692 20 0 EBADRP CNC(=O)[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4ccnc4C3)C[C@H]2C1 ZINC001048908365 734564919 /nfs/dbraw/zinc/56/49/19/734564919.db2.gz RAKVWCZEORRULC-TUVASFSCSA-N 2 0 345.447 -0.030 20 0 EBADRP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001048943381 734579496 /nfs/dbraw/zinc/57/94/96/734579496.db2.gz BLXRGGWIVYLZDF-OWQJAQGESA-N 2 0 335.448 -0.378 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@@H]1O ZINC001048973113 734591519 /nfs/dbraw/zinc/59/15/19/734591519.db2.gz LWCVIFPAAUERQA-ILXRZTDVSA-N 2 0 340.468 -0.549 20 0 EBADRP CN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@H]3C2)C1=O ZINC001049024897 734619155 /nfs/dbraw/zinc/61/91/55/734619155.db2.gz IAUMAVQVZOVIOH-OWCLPIDISA-N 2 0 334.464 -0.051 20 0 EBADRP CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1O)[NH+](C)C ZINC001049027935 734620408 /nfs/dbraw/zinc/62/04/08/734620408.db2.gz ZVBRGNOHKKHKOX-XGUBFFRZSA-N 2 0 340.468 -0.692 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+]([C@H]4CCN(C)C4=O)C[C@@H]3C2)C1 ZINC001049058499 734630179 /nfs/dbraw/zinc/63/01/79/734630179.db2.gz FHAJDOPIBBZZSS-JONQDZQNSA-N 2 0 334.464 -0.051 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[NH+]([C@H]4CCCNC4=O)C[C@@H]3C2)C1 ZINC001049170953 734674930 /nfs/dbraw/zinc/67/49/30/734674930.db2.gz GPQQVNXJCFGRBK-WCVJEAGWSA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001049173504 734675590 /nfs/dbraw/zinc/67/55/90/734675590.db2.gz BNFQHAJBQQGCEQ-SOUVJXGZSA-N 2 0 334.464 -0.051 20 0 EBADRP O=C(N1C[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001049173791 734675634 /nfs/dbraw/zinc/67/56/34/734675634.db2.gz HSHKTUPSZUFQNR-QLFBSQMISA-N 2 0 332.448 -0.249 20 0 EBADRP C[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001049215679 734687169 /nfs/dbraw/zinc/68/71/69/734687169.db2.gz IPEAXKIFIHDYKF-YHUYYLMFSA-N 2 0 325.453 -0.274 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@H]4CCC(=O)NC4=O)C[C@@H]3C2)C1 ZINC001049213867 734687267 /nfs/dbraw/zinc/68/72/67/734687267.db2.gz WTXPVUFYCNHTNM-MQYQWHSLSA-N 2 0 334.420 -0.867 20 0 EBADRP CCN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@H]3C2)C1=O ZINC001049214648 734687713 /nfs/dbraw/zinc/68/77/13/734687713.db2.gz QVFYLWSHAOSLIP-LVQVYYBASA-N 2 0 334.464 -0.051 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001049435589 734729241 /nfs/dbraw/zinc/72/92/41/734729241.db2.gz PLGGENVRZGSZLD-KBPBESRZSA-N 2 0 328.457 -0.690 20 0 EBADRP CC[N@H+](C)CCC(=O)N(C)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001049547683 734751440 /nfs/dbraw/zinc/75/14/40/734751440.db2.gz CWAVCONNQDPRFJ-KBPBESRZSA-N 2 0 328.457 -0.690 20 0 EBADRP NC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCn4cncc4C3)C2)CC1 ZINC001050568611 734927930 /nfs/dbraw/zinc/92/79/30/734927930.db2.gz YFOBTCRQKWXUAW-CYBMUJFWSA-N 2 0 331.420 -0.145 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC2(C1)CC[NH+](CCO)CC2 ZINC001050757657 734955343 /nfs/dbraw/zinc/95/53/43/734955343.db2.gz VCXVRTYBKKXZMR-OAHLLOKOSA-N 2 0 325.453 -0.129 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001051348721 735132784 /nfs/dbraw/zinc/13/27/84/735132784.db2.gz JJBWFIWFQAOFJX-MGPQQGTHSA-N 2 0 336.436 -0.144 20 0 EBADRP COc1nccc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CCO2)n1 ZINC001051494084 735197284 /nfs/dbraw/zinc/19/72/84/735197284.db2.gz RZGUFMUHHNLIPP-GJZGRUSLSA-N 2 0 349.435 -0.104 20 0 EBADRP Cn1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CCO2)cc1=O ZINC001051494983 735197743 /nfs/dbraw/zinc/19/77/43/735197743.db2.gz YIKCNQBYBUPXNH-CVEARBPZSA-N 2 0 348.447 -0.204 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001053352214 735844312 /nfs/dbraw/zinc/84/43/12/735844312.db2.gz XENFZSRPYSZYPI-HUUCEWRRSA-N 2 0 342.484 -0.273 20 0 EBADRP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001054734674 736236168 /nfs/dbraw/zinc/23/61/68/736236168.db2.gz CNKHXIOKAOCIIN-DZGCQCFKSA-N 2 0 337.468 -0.068 20 0 EBADRP COCC(=O)NCC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001055495503 736357721 /nfs/dbraw/zinc/35/77/21/736357721.db2.gz WWFUPTWYVYBBBW-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP COCC(=O)NCC[NH+]1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001055495457 736358131 /nfs/dbraw/zinc/35/81/31/736358131.db2.gz VMWWWNCIMWNKJZ-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP COCC(=O)NCC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001055497154 736358372 /nfs/dbraw/zinc/35/83/72/736358372.db2.gz UYAXRRNEZAPPPW-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCC(=O)NC1CC[NH+](CCNC(=O)c2ccn[nH]2)CC1 ZINC001055529836 736370492 /nfs/dbraw/zinc/37/04/92/736370492.db2.gz XGJMCKGOBTYMOX-UHFFFAOYSA-N 2 0 336.440 -0.328 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](CCNC(=O)c3cn[nH]c3)CC2)C1 ZINC001055530338 736370502 /nfs/dbraw/zinc/37/05/02/736370502.db2.gz FWRWBBUUYSMRPF-CYBMUJFWSA-N 2 0 348.451 -0.328 20 0 EBADRP CO[C@H](C)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001055534016 736372331 /nfs/dbraw/zinc/37/23/31/736372331.db2.gz BCWTVLLEBOUCCS-KGLIPLIRSA-N 2 0 340.468 -0.330 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](CCNC(=O)c3ncc[nH]3)CC2)C1 ZINC001055573421 736388558 /nfs/dbraw/zinc/38/85/58/736388558.db2.gz CBKUMFUYTUVZET-ZDUSSCGKSA-N 2 0 348.451 -0.328 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)c3ccon3)CC2)C1 ZINC001055578424 736391435 /nfs/dbraw/zinc/39/14/35/736391435.db2.gz NJXHZEBOVFGKLM-CYBMUJFWSA-N 2 0 349.435 -0.063 20 0 EBADRP CO[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001055577881 736391623 /nfs/dbraw/zinc/39/16/23/736391623.db2.gz DHIFQTWHYAXPGL-KBPBESRZSA-N 2 0 340.468 -0.330 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)c3ncc[nH]3)CC2)C1 ZINC001055578452 736391713 /nfs/dbraw/zinc/39/17/13/736391713.db2.gz ORGCIRGABCKPND-CYBMUJFWSA-N 2 0 348.451 -0.328 20 0 EBADRP CSCC(=O)NC1CC[NH+](CCNC(=O)CC[NH+](C)C)CC1 ZINC001055633348 736417261 /nfs/dbraw/zinc/41/72/61/736417261.db2.gz KWANXPQCGUWWFV-UHFFFAOYSA-N 2 0 330.498 -0.002 20 0 EBADRP COCC(=O)NC1CC[NH+](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001055645352 736419359 /nfs/dbraw/zinc/41/93/59/736419359.db2.gz UKRNSZDLQRVRSR-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001055955962 736570291 /nfs/dbraw/zinc/57/02/91/736570291.db2.gz ISSQUXHAVMXHNP-QGZVFWFLSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001056117944 736646054 /nfs/dbraw/zinc/64/60/54/736646054.db2.gz SWJCGVUCMDTVOS-QGZVFWFLSA-N 2 0 342.484 -0.250 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[NH+]1C ZINC001057212686 737086343 /nfs/dbraw/zinc/08/63/43/737086343.db2.gz SOQVUABPVFXGRL-GJZGRUSLSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1CCC[NH+]1C ZINC001057212988 737086989 /nfs/dbraw/zinc/08/69/89/737086989.db2.gz BIEIYIWXCBSSSF-AWEZNQCLSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001057632388 737371310 /nfs/dbraw/zinc/37/13/10/737371310.db2.gz NLAZQSKYYGEELD-ZIAGYGMSSA-N 2 0 328.457 -0.785 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001057636086 737375972 /nfs/dbraw/zinc/37/59/72/737375972.db2.gz MPJPUPWCNPPNRK-LSDHHAIUSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)CCCCC(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057640662 737381762 /nfs/dbraw/zinc/38/17/62/737381762.db2.gz MOBDKXWJVAZYAY-UHFFFAOYSA-N 2 0 342.484 -0.249 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057641928 737382745 /nfs/dbraw/zinc/38/27/45/737382745.db2.gz DMRTYTRZADSMMH-HUUCEWRRSA-N 2 0 340.468 -0.783 20 0 EBADRP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)C(C)(C)[N@H+](C)CC ZINC001057661554 737398467 /nfs/dbraw/zinc/39/84/67/737398467.db2.gz WHGJIZWKTFEXOT-UHFFFAOYSA-N 2 0 344.500 -0.004 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001057857670 737477809 /nfs/dbraw/zinc/47/78/09/737477809.db2.gz JIOKOPZLJZBTNK-GJZGRUSLSA-N 2 0 342.484 -0.252 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC001057864049 737484878 /nfs/dbraw/zinc/48/48/78/737484878.db2.gz AHVFAVJIRHFYKV-GJZGRUSLSA-N 2 0 342.484 -0.539 20 0 EBADRP C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001057876356 737495541 /nfs/dbraw/zinc/49/55/41/737495541.db2.gz HUDZCXXVZFTQCP-MRXNPFEDSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC001058038954 737601067 /nfs/dbraw/zinc/60/10/67/737601067.db2.gz LKMHFFMNHWQRBW-CABCVRRESA-N 2 0 342.484 -0.252 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001058159562 737682976 /nfs/dbraw/zinc/68/29/76/737682976.db2.gz NVZSXFBOHARPMW-OAHLLOKOSA-N 2 0 342.484 -0.395 20 0 EBADRP C[NH+]1CC[C@H](C(=O)NCCN(CCO)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001058159512 737683360 /nfs/dbraw/zinc/68/33/60/737683360.db2.gz MJVZVWZCWUMCFP-GJZGRUSLSA-N 2 0 340.468 -0.783 20 0 EBADRP CC[C@@H](C(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1)[NH+](C)C ZINC001058170137 737691966 /nfs/dbraw/zinc/69/19/66/737691966.db2.gz ZLSWLYMJKXJBGC-AWEZNQCLSA-N 2 0 328.457 -0.641 20 0 EBADRP CCC[NH+](C)CC(=O)NCCN(CCO)C(=O)CC[N@@H+](C)CCC ZINC001058252402 737734806 /nfs/dbraw/zinc/73/48/06/737734806.db2.gz IOUUHHOLROTWKZ-UHFFFAOYSA-N 2 0 344.500 -0.003 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001058253945 737735980 /nfs/dbraw/zinc/73/59/80/737735980.db2.gz OKKPOSYBYRAKNU-CQSZACIVSA-N 2 0 330.473 -0.395 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001058256567 737738756 /nfs/dbraw/zinc/73/87/56/737738756.db2.gz ANVOLPWSNLSCRM-HNNXBMFYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C)CC[N@@H+]1C ZINC001058607808 737920263 /nfs/dbraw/zinc/92/02/63/737920263.db2.gz OVKSYHVWPKZZRB-HUUCEWRRSA-N 2 0 342.484 -0.395 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058709314 737960297 /nfs/dbraw/zinc/96/02/97/737960297.db2.gz QFZSOWOUMOEMCF-OAHLLOKOSA-N 2 0 342.484 -0.252 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058709313 737960375 /nfs/dbraw/zinc/96/03/75/737960375.db2.gz QFZSOWOUMOEMCF-HNNXBMFYSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[NH+](C)C(C)(C)C(=O)NCCN(CCO)C(=O)CC[N@@H+](C)CC ZINC001058815918 738003607 /nfs/dbraw/zinc/00/36/07/738003607.db2.gz AJAAONBBDAWXEL-UHFFFAOYSA-N 2 0 344.500 -0.004 20 0 EBADRP CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001058816193 738003784 /nfs/dbraw/zinc/00/37/84/738003784.db2.gz MKVRZTPBZIJDSK-OAHLLOKOSA-N 2 0 342.484 -0.393 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)CCC[NH+](C)C ZINC001058844067 738023030 /nfs/dbraw/zinc/02/30/30/738023030.db2.gz SEGOPUHRIJTOBH-HNNXBMFYSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[C@@H](C(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)C ZINC001058845168 738024928 /nfs/dbraw/zinc/02/49/28/738024928.db2.gz GVAVTNBDGPVIKY-GJZGRUSLSA-N 2 0 342.484 -0.395 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001058848315 738030574 /nfs/dbraw/zinc/03/05/74/738030574.db2.gz DBSYPIVNNQMNPI-UONOGXRCSA-N 2 0 328.457 -0.927 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC001058849584 738032477 /nfs/dbraw/zinc/03/24/77/738032477.db2.gz YWGGGEJOFBCGSD-HUUCEWRRSA-N 2 0 342.484 -0.537 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(CCO)CCNC(=O)CCC[NH+](C)C ZINC001058849542 738032778 /nfs/dbraw/zinc/03/27/78/738032778.db2.gz XGCSGWWCTURFMF-LSDHHAIUSA-N 2 0 342.484 -0.537 20 0 EBADRP C[NH+](C)CCOCC(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001063100597 739060468 /nfs/dbraw/zinc/06/04/68/739060468.db2.gz MWOOAPCBWXLKCW-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001064977206 739455117 /nfs/dbraw/zinc/45/51/17/739455117.db2.gz CQTGYORVDAISAN-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)CCO1 ZINC001064978021 739456171 /nfs/dbraw/zinc/45/61/71/739456171.db2.gz MBPPWMFSADZXBQ-GJZGRUSLSA-N 2 0 340.468 -0.236 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001064978693 739457951 /nfs/dbraw/zinc/45/79/51/739457951.db2.gz XCJKYHZIYFCOLA-LSDHHAIUSA-N 2 0 338.452 -0.480 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001065409646 739694102 /nfs/dbraw/zinc/69/41/02/739694102.db2.gz MJLLXTRQQXKPCS-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001065539575 739749786 /nfs/dbraw/zinc/74/97/86/739749786.db2.gz CXZOWZCODVICPI-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CN(C(=O)CC[NH+](C)C)CCO2)C1 ZINC001065575748 739772273 /nfs/dbraw/zinc/77/22/73/739772273.db2.gz GNCBVFMKIGUGKL-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1CCC2(CN(C(=O)CC[NH+](C)C)C2)O1 ZINC001068624746 740385260 /nfs/dbraw/zinc/38/52/60/740385260.db2.gz RPIBHZZHXNXMIM-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)CO2 ZINC001068874639 740478145 /nfs/dbraw/zinc/47/81/45/740478145.db2.gz UPBFHOINWQTOIQ-ZIAGYGMSSA-N 2 0 338.452 -0.624 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001069009784 740522765 /nfs/dbraw/zinc/52/27/65/740522765.db2.gz YZLDOVWRWBTAJV-UONOGXRCSA-N 2 0 338.452 -0.482 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070204627 740747907 /nfs/dbraw/zinc/74/79/07/740747907.db2.gz IQCAZVBPHDWNCT-KFWWJZLASA-N 2 0 336.440 -0.514 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070332454 740788861 /nfs/dbraw/zinc/78/88/61/740788861.db2.gz FIZQWVVWZBISNW-ILXRZTDVSA-N 2 0 336.440 -0.514 20 0 EBADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001070357615 740793751 /nfs/dbraw/zinc/79/37/51/740793751.db2.gz WKSIFIJZOJKKPA-AGIUHOORSA-N 2 0 336.440 -0.145 20 0 EBADRP CC(C)[C@@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1)[NH+](C)C ZINC001070658348 740912362 /nfs/dbraw/zinc/91/23/62/740912362.db2.gz GYLLGBPFGJQSOT-FMKPAKJESA-N 2 0 337.468 -0.117 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(N)=O)CC2)C1 ZINC001071104363 741060693 /nfs/dbraw/zinc/06/06/93/741060693.db2.gz UNQNPFODYUSUPB-FMKPAKJESA-N 2 0 338.452 -0.591 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1C ZINC001072431842 741397558 /nfs/dbraw/zinc/39/75/58/741397558.db2.gz BDQFZQPYMGHYCT-LSDHHAIUSA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001072433033 741398660 /nfs/dbraw/zinc/39/86/60/741398660.db2.gz QTLMRQGOJUSSKF-UONOGXRCSA-N 2 0 328.457 -0.521 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@@H](O)Cn1cccn1)C2 ZINC001072544657 741427133 /nfs/dbraw/zinc/42/71/33/741427133.db2.gz STMVTEZECUXKEN-CVEARBPZSA-N 2 0 347.463 -0.128 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC2(C1)CC[N@@H+]([C@H]1CCNC1=O)C2 ZINC001072743590 741470309 /nfs/dbraw/zinc/47/03/09/741470309.db2.gz VAQAEDXSEZMBFR-CABCVRRESA-N 2 0 332.448 -0.249 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC2(C1)CC[NH+](CCN1CCNC1=O)C2 ZINC001072981243 741533464 /nfs/dbraw/zinc/53/34/64/741533464.db2.gz BKURXPPYKNRLBC-HUUCEWRRSA-N 2 0 349.479 -0.256 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[NH+](CCO)CCCO2)C1 ZINC001073740101 741728519 /nfs/dbraw/zinc/72/85/19/741728519.db2.gz BPHNWKXPFIDURQ-GJZGRUSLSA-N 2 0 329.441 -0.705 20 0 EBADRP O=C(NC[C@@H]1C[N@H+](CCn2cncn2)CCCO1)C12CC[NH+](CC1)C2 ZINC001073861552 741768281 /nfs/dbraw/zinc/76/82/81/741768281.db2.gz FELIXKNWQDNCTQ-OAHLLOKOSA-N 2 0 348.451 -0.419 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC(O)(CNC(=O)CC[NH+](C)C)CC1 ZINC001074595215 742017980 /nfs/dbraw/zinc/01/79/80/742017980.db2.gz NQDIAYHGYQICJU-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)CCC(=O)NCC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001074713166 742083636 /nfs/dbraw/zinc/08/36/36/742083636.db2.gz LGBADWNRPTWOFN-UHFFFAOYSA-N 2 0 328.457 -0.641 20 0 EBADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H]1C)C(N)=O ZINC001075003226 742156104 /nfs/dbraw/zinc/15/61/04/742156104.db2.gz HZSPIONFJYQEQQ-CFVMTHIKSA-N 2 0 340.468 -0.060 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001076575023 742501373 /nfs/dbraw/zinc/50/13/73/742501373.db2.gz WMOWQYJYBRCJID-MELADBBJSA-N 2 0 334.420 -0.580 20 0 EBADRP C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001077495729 743020378 /nfs/dbraw/zinc/02/03/78/743020378.db2.gz PJRDTSHAHZTUCZ-AWEZNQCLSA-N 2 0 342.484 -0.083 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]2O)CC1 ZINC001077618705 743121688 /nfs/dbraw/zinc/12/16/88/743121688.db2.gz PKFPDAIPOZBYLV-RBSFLKMASA-N 2 0 348.451 -0.732 20 0 EBADRP C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001077685316 743172671 /nfs/dbraw/zinc/17/26/71/743172671.db2.gz KOSHNIPFZXCHAX-KBRIMQKVSA-N 2 0 335.448 -0.054 20 0 EBADRP C[N@@H+]1C[C@H](C(=O)N[C@@H]2C[NH+](CCO)C[C@H]2O)[C@@H](c2ccccc2)C1 ZINC001077708769 743191364 /nfs/dbraw/zinc/19/13/64/743191364.db2.gz XXRZBBLJVQJFJS-YYIAUSFCSA-N 2 0 333.432 -0.515 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CN(C/C=C/Cl)C[C@H]2O)cn1 ZINC001077818320 743268546 /nfs/dbraw/zinc/26/85/46/743268546.db2.gz NKTDLJGVHMEQKG-LSMGEYOZSA-N 2 0 341.843 -0.028 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2O)C1 ZINC001078007412 743410278 /nfs/dbraw/zinc/41/02/78/743410278.db2.gz QTJUSPKAARIHAO-ARFHVFGLSA-N 2 0 325.453 -0.084 20 0 EBADRP Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001078011874 743414794 /nfs/dbraw/zinc/41/47/94/743414794.db2.gz LYXQBKJRVPODEO-HUUCEWRRSA-N 2 0 333.436 -0.780 20 0 EBADRP Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001078507539 743684502 /nfs/dbraw/zinc/68/45/02/743684502.db2.gz DNGVAFOBRZEEKP-DZGCQCFKSA-N 2 0 336.440 -0.526 20 0 EBADRP Cn1nnnc1C[NH2+][C@@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001078784021 743734172 /nfs/dbraw/zinc/73/41/72/743734172.db2.gz QCNBMMSETCLLRJ-CHWSQXEVSA-N 2 0 345.451 -0.177 20 0 EBADRP C[C@@H]1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000980766118 806011859 /nfs/dbraw/zinc/01/18/59/806011859.db2.gz ANHGIQLPIMYNFT-OLZOCXBDSA-N 2 0 348.451 -0.469 20 0 EBADRP C[C@H]1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000980766120 806013246 /nfs/dbraw/zinc/01/32/46/806013246.db2.gz ANHGIQLPIMYNFT-STQMWFEESA-N 2 0 348.451 -0.469 20 0 EBADRP Cn1[nH]c(C[NH2+][C@@H]2CCC[C@H](NC(=O)C[NH+]3CCCC3)C2)nc1=O ZINC000981528234 806192123 /nfs/dbraw/zinc/19/21/23/806192123.db2.gz PCHSRMKVFXOVOH-OLZOCXBDSA-N 2 0 336.440 -0.279 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)nc1=O ZINC000981528235 806192347 /nfs/dbraw/zinc/19/23/47/806192347.db2.gz PCHSRMKVFXOVOH-QWHCGFSZSA-N 2 0 336.440 -0.279 20 0 EBADRP O=C(NC[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21)[C@H]1C[NH+]2CCC1CC2 ZINC000978197426 804720234 /nfs/dbraw/zinc/72/02/34/804720234.db2.gz MPBITJGIUVJBTC-LUKYLMHMSA-N 2 0 344.463 -0.086 20 0 EBADRP O=C(NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000978254997 804754763 /nfs/dbraw/zinc/75/47/63/804754763.db2.gz LDJUGVJKWOOPEN-WCXIOVBPSA-N 2 0 337.464 -0.084 20 0 EBADRP C[C@H]([NH2+]Cc1cnnn1C)[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC000979423396 805367843 /nfs/dbraw/zinc/36/78/43/805367843.db2.gz CHYAYAGWXAGYOQ-DZGCQCFKSA-N 2 0 336.440 -0.384 20 0 EBADRP Cn1ncc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)n1 ZINC000983717103 807087230 /nfs/dbraw/zinc/08/72/30/807087230.db2.gz VJABXUIALUSGFG-RRCSTGOVSA-N 2 0 348.451 -0.337 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCNC3=O)C2)cn1 ZINC000984912770 807410220 /nfs/dbraw/zinc/41/02/20/807410220.db2.gz YMMDPAFPFXWDMG-QEJZJMRPSA-N 2 0 348.451 -0.569 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)nc1=O ZINC000985036886 807430697 /nfs/dbraw/zinc/43/06/97/807430697.db2.gz BTVXYHSAYGLDEY-HAQNSBGRSA-N 2 0 334.424 -0.811 20 0 EBADRP Cn1[nH]c(C[N@H+](C)C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)nc1=O ZINC000985788309 807582893 /nfs/dbraw/zinc/58/28/93/807582893.db2.gz VQNKDZFDQLABGK-GFCCVEGCSA-N 2 0 336.440 -0.517 20 0 EBADRP Cn1[nH]c(C[N@H+](C)C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)nc1=O ZINC000985788310 807583207 /nfs/dbraw/zinc/58/32/07/807583207.db2.gz VQNKDZFDQLABGK-LBPRGKRZSA-N 2 0 336.440 -0.517 20 0 EBADRP C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC000986547528 807731462 /nfs/dbraw/zinc/73/14/62/807731462.db2.gz FPYJENUFFMKZNG-YPMHNXCESA-N 2 0 328.376 -0.055 20 0 EBADRP C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986831843 807784447 /nfs/dbraw/zinc/78/44/47/807784447.db2.gz WGPOMZRTMMHGOV-AAEUAGOBSA-N 2 0 336.440 -0.471 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987354707 807898918 /nfs/dbraw/zinc/89/89/18/807898918.db2.gz DVZMBDVKANMLOJ-STQMWFEESA-N 2 0 349.435 -0.787 20 0 EBADRP C[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)CN1C(=O)C[NH+]1CCCC1 ZINC000989795948 808596404 /nfs/dbraw/zinc/59/64/04/808596404.db2.gz DZMNXSZYKBGJII-QWHCGFSZSA-N 2 0 337.424 -0.787 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001214863792 810286234 /nfs/dbraw/zinc/28/62/34/810286234.db2.gz WQXYYMRERKIWBI-NQBHXWOUSA-N 2 0 339.440 -0.509 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001215456154 810329377 /nfs/dbraw/zinc/32/93/77/810329377.db2.gz PTTBOXNMBSFCQX-QLFBSQMISA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215540654 810334804 /nfs/dbraw/zinc/33/48/04/810334804.db2.gz PEVAWKXHIXVSRM-HZSPNIEDSA-N 2 0 346.497 -0.544 20 0 EBADRP CCN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216401243 810371785 /nfs/dbraw/zinc/37/17/85/810371785.db2.gz ICJCWBNUPPLXIA-HUUCEWRRSA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216413072 810372500 /nfs/dbraw/zinc/37/25/00/810372500.db2.gz CMNKDXXSDXWCJE-ZYHUDNBSSA-N 2 0 348.407 -0.607 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754534 810385323 /nfs/dbraw/zinc/38/53/23/810385323.db2.gz ZRFKBDXEXVSALY-FRRDWIJNSA-N 2 0 339.440 -0.780 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001216757896 810385450 /nfs/dbraw/zinc/38/54/50/810385450.db2.gz QAYWZGDGHOHZQK-MGPQQGTHSA-N 2 0 326.441 -0.863 20 0 EBADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001216757620 810386173 /nfs/dbraw/zinc/38/61/73/810386173.db2.gz GCFQUNOTTCGWMK-QLFBSQMISA-N 2 0 340.468 -0.473 20 0 EBADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216834310 810394288 /nfs/dbraw/zinc/39/42/88/810394288.db2.gz LYOKXHNLMLMBES-CHWSQXEVSA-N 2 0 339.440 -0.506 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001216852282 810395705 /nfs/dbraw/zinc/39/57/05/810395705.db2.gz UBMNNBBRFMWEGT-CHWSQXEVSA-N 2 0 334.486 -0.688 20 0 EBADRP O=C(N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001014451644 810433161 /nfs/dbraw/zinc/43/31/61/810433161.db2.gz AUXHUJKYDXDPBF-KGLIPLIRSA-N 2 0 349.435 -0.930 20 0 EBADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1[C@@H]2CC[C@H]1[NH2+]C2 ZINC001218442318 810492679 /nfs/dbraw/zinc/49/26/79/810492679.db2.gz OXIAPOXHSHOHDQ-KKZNHRDASA-N 2 0 336.392 -0.110 20 0 EBADRP COC(=O)c1scnc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218623400 810512130 /nfs/dbraw/zinc/51/21/30/810512130.db2.gz KZOZPZUBIXMLOW-SECBINFHSA-N 2 0 327.410 -0.381 20 0 EBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218725080 810523641 /nfs/dbraw/zinc/52/36/41/810523641.db2.gz OGXUCUPIUBFEAK-CYBMUJFWSA-N 2 0 349.439 -0.277 20 0 EBADRP Nc1ccc(OCCO)c(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001218919036 810544606 /nfs/dbraw/zinc/54/46/06/810544606.db2.gz KVFQQXBUCBVOPG-ZDUSSCGKSA-N 2 0 337.424 -0.671 20 0 EBADRP CO[C@@H](C)C[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970202 810551305 /nfs/dbraw/zinc/55/13/05/810551305.db2.gz GFXQNTXAEXVQFS-SOUVJXGZSA-N 2 0 329.441 -0.489 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)CC1 ZINC001015655602 810555717 /nfs/dbraw/zinc/55/57/17/810555717.db2.gz UGCDZRBGFBHQST-ZDUSSCGKSA-N 2 0 337.424 -0.930 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C2)CC1 ZINC001015655549 810556790 /nfs/dbraw/zinc/55/67/90/810556790.db2.gz SCXQHSQUVMDTEA-CVEARBPZSA-N 2 0 335.452 -0.224 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12 ZINC001219178256 810607768 /nfs/dbraw/zinc/60/77/68/810607768.db2.gz QBANWUKJKWCBLR-NSHDSACASA-N 2 0 346.391 -0.270 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@H]([NH3+])CCC[NH3+])NC(=O)[C@@]21CC[NH2+]C1 ZINC001219497417 810721571 /nfs/dbraw/zinc/72/15/71/810721571.db2.gz CBIXAWFJYFBPAO-PIGZYNQJSA-N 3 0 347.419 -0.117 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@@H]1C[NH2+]CCO1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219501106 810723988 /nfs/dbraw/zinc/72/39/88/810723988.db2.gz PEKXKVKIPRZTLM-YOEHRIQHSA-N 2 0 346.387 -0.195 20 0 EBADRP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)c1 ZINC001219617361 810772912 /nfs/dbraw/zinc/77/29/12/810772912.db2.gz LQTVHWWVYVEIMZ-IJEWVQPXSA-N 2 0 325.384 -0.256 20 0 EBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001219622345 810775518 /nfs/dbraw/zinc/77/55/18/810775518.db2.gz SFXLGLFKGQKIKY-KNCOVGOOSA-N 2 0 328.432 -0.619 20 0 EBADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]([NH3+])CCCNC(=O)c2cnccn2)C1 ZINC001219640972 810782838 /nfs/dbraw/zinc/78/28/38/810782838.db2.gz DNZYQACDARVQIW-MCIONIFRSA-N 2 0 348.451 -0.324 20 0 EBADRP CS(=O)(=O)c1ccc(CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)nc1 ZINC001219716470 810806391 /nfs/dbraw/zinc/80/63/91/810806391.db2.gz OUYPLOLGPNXRKP-CYBMUJFWSA-N 2 0 326.422 -0.572 20 0 EBADRP O=C(C[C@H]1C[NH2+]Cc2cccn2C1)NCc1nnc2n1CCC[NH2+]C2 ZINC001219747644 810822274 /nfs/dbraw/zinc/82/22/74/810822274.db2.gz XQPLBRMMGWKVOX-ZDUSSCGKSA-N 2 0 343.435 -0.001 20 0 EBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219749427 810824113 /nfs/dbraw/zinc/82/41/13/810824113.db2.gz MXZVARSHRMDGBY-GFCCVEGCSA-N 3 0 333.440 -0.738 20 0 EBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001219749521 810824129 /nfs/dbraw/zinc/82/41/29/810824129.db2.gz OIBNXPVGYMUZBM-ZIAGYGMSSA-N 2 0 347.467 -0.396 20 0 EBADRP [NH3+][C@@H](Cc1cccc(O)c1)C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219750238 810824775 /nfs/dbraw/zinc/82/47/75/810824775.db2.gz YTKIAUNFYIXCSV-ZDUSSCGKSA-N 2 0 330.392 -0.337 20 0 EBADRP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219766003 810830727 /nfs/dbraw/zinc/83/07/27/810830727.db2.gz LCLDXHYKHGADCV-HZSPNIEDSA-N 2 0 340.468 -0.155 20 0 EBADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)C1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001219766499 810831254 /nfs/dbraw/zinc/83/12/54/810831254.db2.gz UVFVSWGFOHRBEF-OIISXLGYSA-N 2 0 335.496 -0.530 20 0 EBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219796188 810845801 /nfs/dbraw/zinc/84/58/01/810845801.db2.gz POGCZKYUXBLDNE-HNNXBMFYSA-N 3 0 337.468 -0.813 20 0 EBADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)NCC[C@H]2CCOC23C[NH2+]C3)cc1 ZINC001219800830 810847320 /nfs/dbraw/zinc/84/73/20/810847320.db2.gz OCUCISJKDAYWOR-GJZGRUSLSA-N 2 0 346.431 -0.460 20 0 EBADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831180 810865476 /nfs/dbraw/zinc/86/54/76/810865476.db2.gz AJSWQOAHUZDCNL-WCVJEAGWSA-N 2 0 346.431 -0.834 20 0 EBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)C1=NO[C@@]2(CC[NH2+]C2)C1 ZINC001219833629 810868954 /nfs/dbraw/zinc/86/89/54/810868954.db2.gz FQYDSMJGQSQVPN-KCXAZCMYSA-N 2 0 338.408 -0.994 20 0 EBADRP [NH3+]C1(C(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)Cc2ccccc2C1 ZINC001219838632 810870632 /nfs/dbraw/zinc/87/06/32/810870632.db2.gz SKVAYJHSVHEZAL-KBXCAEBGSA-N 2 0 345.443 -0.006 20 0 EBADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001219852254 810879587 /nfs/dbraw/zinc/87/95/87/810879587.db2.gz PDRCOLZVICXNRI-QUSNUVHPSA-N 2 0 336.480 -0.199 20 0 EBADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001219853995 810880303 /nfs/dbraw/zinc/88/03/03/810880303.db2.gz AULIPKJRQBTQEW-ZOBORPQBSA-N 2 0 331.420 -0.763 20 0 EBADRP CC(C)([NH3+])[C@@H](NCc1ccccc1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854020 810880915 /nfs/dbraw/zinc/88/09/15/810880915.db2.gz BILFTQSCUIWWOT-QXSJWSMHSA-N 2 0 332.448 -0.015 20 0 EBADRP [NH3+]C1CCN([C@@H](C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)c2ccco2)CC1 ZINC001219854128 810880998 /nfs/dbraw/zinc/88/09/98/810880998.db2.gz DLLCVWCGORTBHZ-OCVGTWLNSA-N 2 0 334.420 -0.153 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NCCC[NH2+]C1CCCCC1 ZINC001219954064 810923764 /nfs/dbraw/zinc/92/37/64/810923764.db2.gz BZFPGHQAQOUKHH-UHFFFAOYSA-N 2 0 334.486 -0.365 20 0 EBADRP COC(=O)C1(NC(=O)[C@H]2COC3(C2)CC[NH2+]CC3)CC[NH2+]CC1 ZINC001219999210 810940315 /nfs/dbraw/zinc/94/03/15/810940315.db2.gz NIQSHGSVQJDRQR-GFCCVEGCSA-N 2 0 325.409 -0.444 20 0 EBADRP COC(=O)C1(NC(=O)[C@H]2CCCCN2[C@@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC001220001622 810942031 /nfs/dbraw/zinc/94/20/31/810942031.db2.gz TWAVRNILFDIQRG-ZIAGYGMSSA-N 2 0 338.452 -0.386 20 0 EBADRP COC(=O)C1(NC(=O)C[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)CC[NH2+]CC1 ZINC001220001328 810942224 /nfs/dbraw/zinc/94/22/24/810942224.db2.gz PIOZMFMXGTYEKG-UPJWGTAASA-N 2 0 325.409 -0.588 20 0 EBADRP CCOC(=O)c1nnc(CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)o1 ZINC001220011175 810947243 /nfs/dbraw/zinc/94/72/43/810947243.db2.gz RKOMKFPSSOADCJ-SNVBAGLBSA-N 2 0 337.380 -0.263 20 0 EBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2 ZINC001220025552 810953510 /nfs/dbraw/zinc/95/35/10/810953510.db2.gz REHAZCXRWUQWLT-UWVGGRQHSA-N 2 0 339.465 -0.025 20 0 EBADRP C[N@@H+]1C[C@@H](C(=O)NC[C@@H]2CCNCC2(F)F)OC2(CC[NH2+]CC2)C1 ZINC001220186598 811009616 /nfs/dbraw/zinc/00/96/16/811009616.db2.gz SCHAUPDFTDKLEA-STQMWFEESA-N 2 0 346.422 -0.200 20 0 EBADRP COC(=O)[C@]1(NC(=O)[C@H]2C[NH2+]C[C@@H]2O)CC[N@H+](Cc2ccccc2)C1 ZINC001220228516 811025601 /nfs/dbraw/zinc/02/56/01/811025601.db2.gz OUBAWEUWTSYGPB-MPGHIAIKSA-N 2 0 347.415 -0.499 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CCC3(C[NH+](CCO)C3)CC2)cn1 ZINC001035814935 811030574 /nfs/dbraw/zinc/03/05/74/811030574.db2.gz VPYPCFLYSICJDO-UHFFFAOYSA-N 2 0 335.452 -0.025 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220313621 811052036 /nfs/dbraw/zinc/05/20/36/811052036.db2.gz RLAVVYYCITWFBX-VXGBXAGGSA-N 2 0 335.408 -0.609 20 0 EBADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001220321550 811056407 /nfs/dbraw/zinc/05/64/07/811056407.db2.gz VJPQNTBZMOGNOT-SUMWQHHRSA-N 2 0 346.435 -0.473 20 0 EBADRP O=C(N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001220321547 811056418 /nfs/dbraw/zinc/05/64/18/811056418.db2.gz VJPQNTBZMOGNOT-CXAGYDPISA-N 2 0 346.435 -0.473 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220321749 811056936 /nfs/dbraw/zinc/05/69/36/811056936.db2.gz YEVIJJJVGLLMFA-VLXAULBPSA-N 2 0 325.409 -0.588 20 0 EBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001220335683 811059079 /nfs/dbraw/zinc/05/90/79/811059079.db2.gz QNESEMCDMBOFOV-GDBMZVCRSA-N 2 0 325.501 -0.027 20 0 EBADRP COC(=O)c1n[nH]cc1NC(=O)[C@H]1C[N@H+](C)CC2(CC[NH2+]CC2)O1 ZINC001220373098 811075910 /nfs/dbraw/zinc/07/59/10/811075910.db2.gz ABZIPLNAKCMATE-LLVKDONJSA-N 2 0 337.380 -0.412 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCCc2ccc(C[NH3+])nc21 ZINC001220376979 811079742 /nfs/dbraw/zinc/07/97/42/811079742.db2.gz GFQSRWNYRVHEKO-UHFFFAOYSA-N 2 0 341.437 -0.960 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NCC12CC[NH+](CC1)CC2 ZINC001220395182 811092990 /nfs/dbraw/zinc/09/29/90/811092990.db2.gz ZMDIKCZLDPSUAK-ZDUSSCGKSA-N 2 0 340.468 -0.153 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H](CO)Cc1ccccc1 ZINC001220406691 811096913 /nfs/dbraw/zinc/09/69/13/811096913.db2.gz VSKJJPKQSWPAOS-RDJZCZTQSA-N 2 0 334.464 -0.296 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@H]1NC2=O ZINC001220431578 811105693 /nfs/dbraw/zinc/10/56/93/811105693.db2.gz KGPYUXREJGBYJH-BYCMXARLSA-N 2 0 330.388 -0.796 20 0 EBADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1[NH2+]Cc1nnnn1C ZINC001036162939 811112400 /nfs/dbraw/zinc/11/24/00/811112400.db2.gz XNYYBAVRCXUZJR-TZMCWYRMSA-N 2 0 335.456 -0.122 20 0 EBADRP NC(=[NH2+])N(C(=O)[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(N2CCOCC2)cc1 ZINC001220460204 811116972 /nfs/dbraw/zinc/11/69/72/811116972.db2.gz DUZDWAKIMASLON-KGLIPLIRSA-N 2 0 333.392 -0.670 20 0 EBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001220481961 811123139 /nfs/dbraw/zinc/12/31/39/811123139.db2.gz XGJHQTOJGIAPFH-VLXAULBPSA-N 2 0 344.456 -0.683 20 0 EBADRP CCOC(=O)C1=C(NC(=O)CN2CCCC[C@H]([NH3+])C2=O)CC[NH2+]C1 ZINC001220522671 811139042 /nfs/dbraw/zinc/13/90/42/811139042.db2.gz CUUSLJCAMKONSO-LBPRGKRZSA-N 2 0 338.408 -0.747 20 0 EBADRP CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220567805 811158115 /nfs/dbraw/zinc/15/81/15/811158115.db2.gz MUYCZOCSRRDVSM-QWHCGFSZSA-N 2 0 340.449 -0.309 20 0 EBADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220651603 811189139 /nfs/dbraw/zinc/18/91/39/811189139.db2.gz LUYONKRWFLOKRU-HRCADAONSA-N 2 0 329.448 -0.338 20 0 EBADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001220651938 811189852 /nfs/dbraw/zinc/18/98/52/811189852.db2.gz RKOJOAWPGSGLQB-HLLBOEOZSA-N 2 0 330.432 -0.053 20 0 EBADRP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220654447 811191517 /nfs/dbraw/zinc/19/15/17/811191517.db2.gz SORUKTBLOUVWKS-WBVHZDCISA-N 2 0 346.431 -0.137 20 0 EBADRP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001220667855 811195309 /nfs/dbraw/zinc/19/53/09/811195309.db2.gz SNWIHRSSVXKDDH-XHSDSOJGSA-N 2 0 343.468 -0.725 20 0 EBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001220743776 811224436 /nfs/dbraw/zinc/22/44/36/811224436.db2.gz PFNBWZXCXCNJGO-CQSZACIVSA-N 2 0 334.424 -0.058 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001220764808 811232712 /nfs/dbraw/zinc/23/27/12/811232712.db2.gz XJWFVJJMXUQVMD-ZNMIVQPWSA-N 2 0 329.441 -0.705 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001220764807 811232950 /nfs/dbraw/zinc/23/29/50/811232950.db2.gz XJWFVJJMXUQVMD-KFWWJZLASA-N 2 0 329.441 -0.705 20 0 EBADRP CC1(C)[C@H](O)C[C@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220766061 811233440 /nfs/dbraw/zinc/23/34/40/811233440.db2.gz KZYGKTPPBRSVMR-IGQOVBAYSA-N 2 0 340.468 -0.291 20 0 EBADRP C[C@@H](CNC(=O)CN(CC[NH3+])S(C)(=O)=O)CC(C)(C)CC[NH3+] ZINC001220766424 811233454 /nfs/dbraw/zinc/23/34/54/811233454.db2.gz RYJJNMCGAWOFFX-GFCCVEGCSA-N 2 0 336.502 -0.276 20 0 EBADRP N[C@@]1(C(=O)n2cc(Br)ccc2=NCC[NH3+])CCC[NH2+]C1 ZINC001220870946 811276381 /nfs/dbraw/zinc/27/63/81/811276381.db2.gz QZQXGSAIZKCPCF-ZDUSSCGKSA-N 2 0 342.241 -0.169 20 0 EBADRP CCc1ccc(CN(CC[NH3+])C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)cc1 ZINC001220903135 811288685 /nfs/dbraw/zinc/28/86/85/811288685.db2.gz MOVFLKHXVDZTSC-INIZCTEOSA-N 2 0 332.448 -0.133 20 0 EBADRP O=C(NCC1CCN(c2ncccn2)CC1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220929491 811298357 /nfs/dbraw/zinc/29/83/57/811298357.db2.gz AJCJJIXTSLMODL-AWEZNQCLSA-N 2 0 330.436 -0.382 20 0 EBADRP O=C(NCCO[C@H]1CC[NH2+]C1)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001220936068 811300706 /nfs/dbraw/zinc/30/07/06/811300706.db2.gz BZXCWWGHBBDIKR-STQMWFEESA-N 2 0 334.424 -0.976 20 0 EBADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001220937486 811301229 /nfs/dbraw/zinc/30/12/29/811301229.db2.gz SSJQWOMAQVDPCK-KGLIPLIRSA-N 2 0 333.436 -0.371 20 0 EBADRP Nc1ccc([C@H](CCO)NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cc1 ZINC001220955978 811310838 /nfs/dbraw/zinc/31/08/38/811310838.db2.gz SOKQWLDNUCEKJJ-HOTGVXAUSA-N 2 0 335.452 -0.441 20 0 EBADRP [NH3+][C@@H]1CN[C@H](C(=O)N2CCC([NH3+])(C(=O)NCc3ccccc3)CC2)C1 ZINC001220971174 811316787 /nfs/dbraw/zinc/31/67/87/811316787.db2.gz WBTMAMGAAMYGEG-GJZGRUSLSA-N 2 0 345.447 -0.688 20 0 EBADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC001221007082 811340202 /nfs/dbraw/zinc/34/02/02/811340202.db2.gz UXCWDOAGVQEIEQ-MGPQQGTHSA-N 2 0 326.441 -0.530 20 0 EBADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@]2(N)CCC[NH2+]C2)CC1 ZINC001221006264 811341075 /nfs/dbraw/zinc/34/10/75/811341075.db2.gz DLACBZJBTZINJU-XJKCOSOUSA-N 2 0 325.457 -0.828 20 0 EBADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001221006887 811341537 /nfs/dbraw/zinc/34/15/37/811341537.db2.gz OMLOERQJYLCTDS-IIAWOOMASA-N 3 0 339.484 -0.582 20 0 EBADRP [NH3+]CCOCCOCC(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221114227 811383424 /nfs/dbraw/zinc/38/34/24/811383424.db2.gz RNFPQONJPYVRKE-UHFFFAOYSA-N 2 0 336.436 -0.189 20 0 EBADRP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001221114075 811383558 /nfs/dbraw/zinc/38/35/58/811383558.db2.gz MDDQITYCEAOHMG-HNNXBMFYSA-N 2 0 343.431 -0.703 20 0 EBADRP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221114290 811383907 /nfs/dbraw/zinc/38/39/07/811383907.db2.gz UOSLRHWPJRPHSP-AWEZNQCLSA-N 3 0 329.448 -0.372 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)c1cccnc1O[C@H]1CC[NH2+]C1 ZINC001221190413 811412747 /nfs/dbraw/zinc/41/27/47/811412747.db2.gz MNAOIZZPFPUDKZ-AAEUAGOBSA-N 2 0 336.392 -0.167 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221365911 811446436 /nfs/dbraw/zinc/44/64/36/811446436.db2.gz JKLVXBPLMQEXFH-RQJABVFESA-N 3 0 343.447 -0.750 20 0 EBADRP CCCC(C[NH3+])(CCC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001221374367 811447594 /nfs/dbraw/zinc/44/75/94/811447594.db2.gz HNRGJQCAHDDBHU-QWRGUYRKSA-N 2 0 329.445 -0.892 20 0 EBADRP COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)c1 ZINC001221406162 811450462 /nfs/dbraw/zinc/45/04/62/811450462.db2.gz ONGUFNLZBXCCDP-LSDHHAIUSA-N 2 0 346.431 -0.073 20 0 EBADRP [NH3+]CCNC(=O)c1cccc(CN2CC(=O)NC[C@]23CC[NH2+]C3)c1 ZINC001222374456 811625203 /nfs/dbraw/zinc/62/52/03/811625203.db2.gz SIPJPEDRUHYMBO-QGZVFWFLSA-N 2 0 331.420 -0.961 20 0 EBADRP O=C1CN(Cc2ccc(N3CC[NH2+]CC3)nc2)[C@@]2(CC[NH2+]C2)CN1 ZINC001222379597 811626291 /nfs/dbraw/zinc/62/62/91/811626291.db2.gz DZRVHKBQOLLUSL-QGZVFWFLSA-N 2 0 330.436 -0.845 20 0 EBADRP O=C1CN(Cc2ccccc2N2CC[NH2+]CC2)[C@]2(CC[NH2+]C2)CN1 ZINC001222374915 811626620 /nfs/dbraw/zinc/62/66/20/811626620.db2.gz XGMYNYMLRZDMCV-SFHVURJKSA-N 2 0 329.448 -0.240 20 0 EBADRP C[NH+](C)C1(C(=O)NCC2CC[NH+](CC(=O)NC(N)=O)CC2)CCC1 ZINC001223471693 811708163 /nfs/dbraw/zinc/70/81/63/811708163.db2.gz DYJAQLXWZJDGEX-UHFFFAOYSA-N 2 0 339.440 -0.506 20 0 EBADRP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916936 811735487 /nfs/dbraw/zinc/73/54/87/811735487.db2.gz VELYHDLGQMAEGP-CABCVRRESA-N 2 0 340.468 -0.424 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001224911382 811784213 /nfs/dbraw/zinc/78/42/13/811784213.db2.gz NJLRJQRHHQXPTN-AWEZNQCLSA-N 2 0 338.452 -0.038 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001225447946 811810572 /nfs/dbraw/zinc/81/05/72/811810572.db2.gz CTPWAOVGYCOPJZ-KBPBESRZSA-N 2 0 340.468 -0.343 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001225449082 811810640 /nfs/dbraw/zinc/81/06/40/811810640.db2.gz VRNPJVKWDDSMOT-GFCCVEGCSA-N 2 0 339.440 -0.506 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C)C(=O)NC(N)=O ZINC001228355038 811975832 /nfs/dbraw/zinc/97/58/32/811975832.db2.gz IGVBBMSBVFWREB-IJLUTSLNSA-N 2 0 327.429 -0.462 20 0 EBADRP COC[C@H](C)OC[C@H](O)C[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001228999748 812008491 /nfs/dbraw/zinc/00/84/91/812008491.db2.gz VGRKJBAXBCRCST-GOEBONIOSA-N 2 0 345.484 -0.069 20 0 EBADRP CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229709766 812050403 /nfs/dbraw/zinc/05/04/03/812050403.db2.gz KGAZUCVPTIKPAU-ZIAGYGMSSA-N 2 0 328.457 -0.282 20 0 EBADRP CN1CCC[C@H]([NH+]2CCC(NC(=O)COCC[NH+](C)C)CC2)C1=O ZINC001230048793 812072823 /nfs/dbraw/zinc/07/28/23/812072823.db2.gz SVCRFOCBYAVZOT-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1)C(=O)NC(N)=O ZINC001230147452 812079913 /nfs/dbraw/zinc/07/99/13/812079913.db2.gz GAGPETULSOQFOJ-JHJVBQTASA-N 2 0 339.440 -0.317 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1)C(=O)NC(N)=O ZINC001230147454 812080917 /nfs/dbraw/zinc/08/09/17/812080917.db2.gz GAGPETULSOQFOJ-YNEHKIRRSA-N 2 0 339.440 -0.317 20 0 EBADRP COC[C@H](O)C[NH+]1CCC(NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001230275561 812095987 /nfs/dbraw/zinc/09/59/87/812095987.db2.gz SLPCDXAQYYRUGA-GDBMZVCRSA-N 2 0 343.468 -0.457 20 0 EBADRP COC[C@H](O)C[NH+]1CCC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001230275562 812096474 /nfs/dbraw/zinc/09/64/74/812096474.db2.gz SLPCDXAQYYRUGA-GOEBONIOSA-N 2 0 343.468 -0.457 20 0 EBADRP C(C[NH+]1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1)[C@H]1C[NH2+]CCO1 ZINC001235206598 812474499 /nfs/dbraw/zinc/47/44/99/812474499.db2.gz USSBAGUFFBRFHA-HNNXBMFYSA-N 3 0 337.468 -0.162 20 0 EBADRP CN(C[C@@H]1CCN1[C@@H]1CCC(=O)NC1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001235320739 812481648 /nfs/dbraw/zinc/48/16/48/812481648.db2.gz PDXVTQBZDHZJMY-QWHCGFSZSA-N 2 0 336.436 -0.191 20 0 EBADRP Cn1cc(Br)c(CN2CC[NH2+]CCNCC[NH2+]CC2)n1 ZINC001235869065 812514016 /nfs/dbraw/zinc/51/40/16/812514016.db2.gz FWHSUPQAWLINRT-UHFFFAOYSA-N 2 0 345.289 -0.233 20 0 EBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001236200835 812515412 /nfs/dbraw/zinc/51/54/12/812515412.db2.gz KQAGWPOMRCDPSW-GJZGRUSLSA-N 2 0 333.436 -0.092 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccc(-c2nn[nH]n2)cc1 ZINC001236310043 812516651 /nfs/dbraw/zinc/51/66/51/812516651.db2.gz UUZIKHQNWMJCKG-UHFFFAOYSA-N 2 0 346.439 -0.518 20 0 EBADRP Cc1ncc(CO)c(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1O ZINC001236310192 812516874 /nfs/dbraw/zinc/51/68/74/812516874.db2.gz FAHGNONYFYUBJM-UHFFFAOYSA-N 2 0 339.440 -0.796 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccc(-n2ccnn2)cc1 ZINC001236309815 812517331 /nfs/dbraw/zinc/51/73/31/812517331.db2.gz PSLCZHURGCRBPQ-UHFFFAOYSA-N 2 0 345.451 -0.117 20 0 EBADRP CCOC(=O)c1n[nH]cc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310351 812517432 /nfs/dbraw/zinc/51/74/32/812517432.db2.gz YEJGTBVFIVPUDB-UHFFFAOYSA-N 2 0 340.428 -0.798 20 0 EBADRP O=S(=O)(CC1CC[NH2+]CC1)NCc1ncn2c1C[NH2+]CCC2 ZINC001238527604 812529001 /nfs/dbraw/zinc/52/90/01/812529001.db2.gz LBTQDBCMVANGHU-UHFFFAOYSA-N 2 0 327.454 -0.205 20 0 EBADRP CCOC(=O)C[C@H](NS(=O)(=O)[C@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC001238511564 812529406 /nfs/dbraw/zinc/52/94/06/812529406.db2.gz HPJLMMRCHIWMNN-STQMWFEESA-N 2 0 333.454 -0.411 20 0 EBADRP CCOC(=O)CC1(NS(=O)(=O)C2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001238712367 812531171 /nfs/dbraw/zinc/53/11/71/812531171.db2.gz DVEKLZPTJNMERU-UHFFFAOYSA-N 2 0 333.454 -0.267 20 0 EBADRP NC(=O)C1(NS(=O)(=O)CC[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001238694381 812531376 /nfs/dbraw/zinc/53/13/76/812531376.db2.gz JRBJBDLWXRUYTF-UHFFFAOYSA-N 2 0 340.449 -0.615 20 0 EBADRP CS(=O)(=O)c1ccc(S(=O)(=O)NCCC[NH2+]CCC[NH3+])cc1 ZINC001238879391 812535001 /nfs/dbraw/zinc/53/50/01/812535001.db2.gz RBBBAKMHGBYCDW-UHFFFAOYSA-N 2 0 349.478 -0.303 20 0 EBADRP COC(=O)c1ccc([C@H]([NH3+])CNS(=O)(=O)[C@H]2CC[NH2+]C2)cc1 ZINC001238919187 812535553 /nfs/dbraw/zinc/53/55/53/812535553.db2.gz JAQVEWALRFDAAL-QWHCGFSZSA-N 2 0 327.406 -0.246 20 0 EBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC001239022621 812539079 /nfs/dbraw/zinc/53/90/79/812539079.db2.gz AUWVZZYTZBDVFV-CQSZACIVSA-N 2 0 333.454 -0.993 20 0 EBADRP [NH3+]CCS(=O)(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001239081668 812541948 /nfs/dbraw/zinc/54/19/48/812541948.db2.gz NOEBIKDROCUYIE-HUUCEWRRSA-N 2 0 340.449 -0.355 20 0 EBADRP CCOc1ccc(C(=O)OC)cc1S(=O)(=O)N(CC[NH3+])CC[NH3+] ZINC001239097795 812544426 /nfs/dbraw/zinc/54/44/26/812544426.db2.gz YERVEVPCNAVLNI-UHFFFAOYSA-N 2 0 345.421 -0.220 20 0 EBADRP C[NH+]1CCC(N(C2CC[NH2+]CC2)S(=O)(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC001239173501 812549382 /nfs/dbraw/zinc/54/93/82/812549382.db2.gz RHKAWHQMDJDIAR-OAHLLOKOSA-N 3 0 330.498 -0.174 20 0 EBADRP O[C@H](C[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F)COCC(F)(F)C(F)F ZINC001245971077 812557241 /nfs/dbraw/zinc/55/72/41/812557241.db2.gz DTZSTVVBXLQARZ-WCABBAIRSA-N 2 0 336.301 -0.084 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001246021809 812559315 /nfs/dbraw/zinc/55/93/15/812559315.db2.gz HCGYBQBZAGARDK-FRQCXROJSA-N 2 0 344.459 -0.671 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCNC[C@]12CC[NH2+]C2 ZINC001246030477 812559599 /nfs/dbraw/zinc/55/95/99/812559599.db2.gz SJZOKBJCCLBBNU-GVDBMIGSSA-N 2 0 340.418 -0.167 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1CCOC[C@@]2(C[NH2+]CCO2)C1 ZINC001246026835 812559688 /nfs/dbraw/zinc/55/96/88/812559688.db2.gz FHNNYDFWNAOODR-RCCFBDPRSA-N 2 0 335.448 -0.392 20 0 EBADRP CCOC(=O)[C@H]1C[C@@H]2C[N@H+](C[C@@H](O)CC3(O)CC[NH2+]CC3)C[C@@H]2N1 ZINC001246030128 812559807 /nfs/dbraw/zinc/55/98/07/812559807.db2.gz CMMBIDNAYSLPTD-BARDWOONSA-N 2 0 341.452 -0.923 20 0 EBADRP [NH3+]CC1CN([C@@H]2CCC[N@H+](C[C@H](O)CC3(O)CC[NH2+]CC3)C2)C1 ZINC001246047277 812560807 /nfs/dbraw/zinc/56/08/07/812560807.db2.gz CPZKUKANNVKGKT-HZPDHXFCSA-N 3 0 326.485 -0.793 20 0 EBADRP COC(=O)[C@@H](N)C1CC[NH+](C[C@H](O)CC2(O)CC[NH2+]CC2)CC1 ZINC001246047239 812560851 /nfs/dbraw/zinc/56/08/51/812560851.db2.gz CBNMNDXCAVGMJH-KGLIPLIRSA-N 2 0 329.441 -0.936 20 0 EBADRP CCOC(=O)[C@@]12C[N@H+](CC3(O)CC[NH2+]CC3)C[C@@H]1C[NH2+]CCC2 ZINC001246031564 812561328 /nfs/dbraw/zinc/56/13/28/812561328.db2.gz RBCCTZNHHKLUEW-YOEHRIQHSA-N 3 0 325.453 -0.034 20 0 EBADRP O[C@H](COc1cccc(F)c1)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246053448 812562360 /nfs/dbraw/zinc/56/23/60/812562360.db2.gz IFVXOPOXAYNVHU-INIZCTEOSA-N 2 0 340.443 -0.350 20 0 EBADRP COC(=O)[C@H](N)[C@@H]1CCC[N@H+](C[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001246057298 812562512 /nfs/dbraw/zinc/56/25/12/812562512.db2.gz YLNIILSIVONLTG-HZSPNIEDSA-N 2 0 329.441 -0.936 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1C[C@H]([NH3+])C2(COC2)C1 ZINC001246066204 812563608 /nfs/dbraw/zinc/56/36/08/812563608.db2.gz SCHGHJUSIYNXFQ-ZNMIVQPWSA-N 2 0 327.375 -0.145 20 0 EBADRP O=S1(=O)CC[C@@H]([NH2+]C2CCC3(CC2)C[NH2+]CCO3)C12CNC2 ZINC001246140151 812565869 /nfs/dbraw/zinc/56/58/69/812565869.db2.gz FKXPOMIYVVDJJA-ROKHWSDSSA-N 2 0 329.466 -0.594 20 0 EBADRP COC(=O)[C@H](CCCC[NH3+])N[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246152121 812567257 /nfs/dbraw/zinc/56/72/57/812567257.db2.gz LUOUIPIAJQDAPR-AGIUHOORSA-N 2 0 344.481 -0.490 20 0 EBADRP COC(=O)C1(N[C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[NH2+]CC1 ZINC001246185844 812567450 /nfs/dbraw/zinc/56/74/50/812567450.db2.gz CNDDSHDYIXBNDB-RYUDHWBXSA-N 2 0 342.465 -0.865 20 0 EBADRP COC(=O)[C@H]1C[C@H]([NH2+]CCNCC[NH3+])CCN1C(=O)c1ccccc1 ZINC001246402870 812571946 /nfs/dbraw/zinc/57/19/46/812571946.db2.gz BUVPEPCCPLUYGN-HZPDHXFCSA-N 2 0 348.447 -0.029 20 0 EBADRP [NH3+]C[C@@]1(O)CCCCN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C1 ZINC001246563429 812575415 /nfs/dbraw/zinc/57/54/15/812575415.db2.gz UUHYSIAHARMDQV-IPYPFGDCSA-N 2 0 328.482 -0.575 20 0 EBADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCCC2)CN1 ZINC001246522012 812575526 /nfs/dbraw/zinc/57/55/26/812575526.db2.gz YKKKOWIUJYKFLR-RDBSUJKOSA-N 2 0 326.441 -0.401 20 0 EBADRP O=C([C@@H]1C[C@H](N2CCNC3(CC[NH2+]CC3)C2)C[NH2+]1)N1CCSC1 ZINC001246604862 812576897 /nfs/dbraw/zinc/57/68/97/812576897.db2.gz OGSNBJYJTVXLQM-KBPBESRZSA-N 2 0 339.509 -0.723 20 0 EBADRP C(c1noc2c1C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2)N1CCOCC1 ZINC001246712844 812583223 /nfs/dbraw/zinc/58/32/23/812583223.db2.gz DGROKDGNSVLNJL-CQSZACIVSA-N 2 0 347.463 -0.041 20 0 EBADRP Cn1cc(N2CC[C@]3(CC[N@@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)C3)C2=O)cn1 ZINC001246720048 812583433 /nfs/dbraw/zinc/58/34/33/812583433.db2.gz LNUNAPZLCORDGT-PBHICJAKSA-N 2 0 344.463 -0.057 20 0 EBADRP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246740154 812584371 /nfs/dbraw/zinc/58/43/71/812584371.db2.gz FVYWWZRFQAGVSC-OAHLLOKOSA-N 3 0 346.479 -0.395 20 0 EBADRP Cn1cc(N2C[C@@]3(CC[N@@H+]([C@H]4CCNC5(C[NH2+]C5)C4)C3)CC2=O)cn1 ZINC001246738097 812584691 /nfs/dbraw/zinc/58/46/91/812584691.db2.gz FKYBOLKSGPHGBD-YOEHRIQHSA-N 2 0 344.463 -0.057 20 0 EBADRP Cn1cc(N2C[C@]3(CC[N@@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)C3)CC2=O)cn1 ZINC001246738095 812584871 /nfs/dbraw/zinc/58/48/71/812584871.db2.gz FKYBOLKSGPHGBD-RHSMWYFYSA-N 2 0 344.463 -0.057 20 0 EBADRP CS(=O)(=O)N1C[C@H]2CCC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)[C@H]2C1 ZINC001246747532 812586602 /nfs/dbraw/zinc/58/66/02/812586602.db2.gz OTQZHLBWQJVDDA-MCIONIFRSA-N 2 0 328.482 -0.564 20 0 EBADRP [NH3+]C1CN([C@H]2CCCN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)C1 ZINC001246867471 812591477 /nfs/dbraw/zinc/59/14/77/812591477.db2.gz HZWAINBGFUGJKY-ZNMIVQPWSA-N 2 0 339.509 -0.643 20 0 EBADRP COCCN([C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)[C@@H]1CCC[NH2+]C1 ZINC001246927113 812592626 /nfs/dbraw/zinc/59/26/26/812592626.db2.gz GAMGRPWCRKMCKI-ILXRZTDVSA-N 2 0 342.509 -0.050 20 0 EBADRP O=C([C@@H]1C[C@@H](N2CC[C@]3(C2)C[NH2+]CCO3)C[NH2+]1)N1CCSC1 ZINC001246985995 812594272 /nfs/dbraw/zinc/59/42/72/812594272.db2.gz JEKWKJILMUUAGC-VNHYZAJKSA-N 2 0 326.466 -0.686 20 0 EBADRP CCOC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C(=O)OC)NC2)CCC12C[NH2+]C2 ZINC001247009133 812595753 /nfs/dbraw/zinc/59/57/53/812595753.db2.gz OKVBOZCVTCIRHU-RDBSUJKOSA-N 2 0 339.436 -0.245 20 0 EBADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@H]1C[NH2+]Cc2ccccc21)O3 ZINC001247008911 812595795 /nfs/dbraw/zinc/59/57/95/812595795.db2.gz MEHKVPXDGZHRGJ-OEAJRASXSA-N 2 0 335.429 -0.024 20 0 EBADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1C1CC2(C1)CC[NH2+]CC2)O3 ZINC001247012446 812596194 /nfs/dbraw/zinc/59/61/94/812596194.db2.gz TWGBYCOIAMQRKF-IPYPFGDCSA-N 2 0 327.450 -0.337 20 0 EBADRP O[C@@H](C[NH2+][C@H]1CC[C@H]([NH+]2CCOCC2)CC1)CN1CCOCC1 ZINC001251041837 812620103 /nfs/dbraw/zinc/62/01/03/812620103.db2.gz OSHGRDBYTZOIQJ-ULQDDVLXSA-N 2 0 327.469 -0.088 20 0 EBADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@H](O)CN2CCOCC2)CC1 ZINC001251041819 812620266 /nfs/dbraw/zinc/62/02/66/812620266.db2.gz OIEJHYQIDFJNGR-JYJNAYRXSA-N 2 0 342.484 -0.742 20 0 EBADRP C[N@@H+]1CC[C@@H](n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001255427252 812713838 /nfs/dbraw/zinc/71/38/38/812713838.db2.gz QUHICPXXXVUTAM-XBFCOCLRSA-N 2 0 334.424 -0.894 20 0 EBADRP C[NH+]1CCC(n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)CC1 ZINC001256202101 812727055 /nfs/dbraw/zinc/72/70/55/812727055.db2.gz XSUSXAPEGXRLFN-GJZGRUSLSA-N 2 0 348.451 -0.504 20 0 EBADRP COC(=O)[C@@H]1CC[C@@H]([NH+]2CCN(CC[NH3+])CC2)C[C@H]1C(=O)OC ZINC001257723062 812771205 /nfs/dbraw/zinc/77/12/05/812771205.db2.gz VZGMCGAONZCHTB-MGPQQGTHSA-N 2 0 327.425 -0.306 20 0 EBADRP COC[C@]1(C)CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001261320816 812890626 /nfs/dbraw/zinc/89/06/26/812890626.db2.gz MHPNBZCTRBBWTQ-QGZVFWFLSA-N 2 0 342.484 -0.177 20 0 EBADRP C[NH+](C)C1CCN(CCNC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC001261502187 812921182 /nfs/dbraw/zinc/92/11/82/812921182.db2.gz BSRVQCAFMJZBGP-UHFFFAOYSA-N 2 0 337.472 -0.227 20 0 EBADRP C[NH+]1CCN(CCCNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC001261643767 812958279 /nfs/dbraw/zinc/95/82/79/812958279.db2.gz FQCCHNFXYWWYDB-HNNXBMFYSA-N 2 0 349.483 -0.040 20 0 EBADRP [NH3+]CC1(NC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCOCC1 ZINC001261817562 812990630 /nfs/dbraw/zinc/99/06/30/812990630.db2.gz UAFLVHPMLSKXIH-UHFFFAOYSA-N 2 0 344.375 -0.170 20 0 EBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001261820210 812992240 /nfs/dbraw/zinc/99/22/40/812992240.db2.gz TXJYBLYUAIWMLD-OLZOCXBDSA-N 2 0 326.441 -0.591 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081498715 813071897 /nfs/dbraw/zinc/07/18/97/813071897.db2.gz DOQUTNNRTBAWFR-CABCVRRESA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2C[C@@H](N3CCOCC3)C2(C)C)CC1 ZINC001262576730 813097171 /nfs/dbraw/zinc/09/71/71/813097171.db2.gz XHKBZDXCBPSOEQ-IXDOHACOSA-N 2 0 340.512 -0.316 20 0 EBADRP C[N@H+](CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC001263864037 813130902 /nfs/dbraw/zinc/13/09/02/813130902.db2.gz LVGYUKVEHARGHZ-YRGRVCCFSA-N 2 0 336.436 -0.240 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001263880769 813132688 /nfs/dbraw/zinc/13/26/88/813132688.db2.gz ZCEAJANFVBIMAQ-HDJSIYSDSA-N 2 0 338.452 -0.040 20 0 EBADRP COCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[N@@H+]2CC[C@H](C)C2)n1 ZINC001264028314 813142812 /nfs/dbraw/zinc/14/28/12/813142812.db2.gz ROQVNDRQEHFUBU-LBPRGKRZSA-N 2 0 337.424 -0.124 20 0 EBADRP C[C@H](C(N)=O)[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001264666153 813197691 /nfs/dbraw/zinc/19/76/91/813197691.db2.gz GNRRTARMHAWSSS-KGLIPLIRSA-N 2 0 328.457 -0.249 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)[C@@H](C)C(=O)NC(N)=O)CC[N@@H+]1C ZINC001264987976 813212175 /nfs/dbraw/zinc/21/21/75/813212175.db2.gz SYNZAVWGFCHHHW-RWMBFGLXSA-N 2 0 341.456 -0.262 20 0 EBADRP C[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)CCN1CCNC1=O ZINC001265000661 813215802 /nfs/dbraw/zinc/21/58/02/813215802.db2.gz AMEVSGSMZNDBKG-CQSZACIVSA-N 2 0 325.457 -0.066 20 0 EBADRP O=C(CC[NH+]1CCCCC1)NCCCN1CC[NH+](CCO)CC1 ZINC001265254738 813277998 /nfs/dbraw/zinc/27/79/98/813277998.db2.gz YDTADMHCDJYASQ-UHFFFAOYSA-N 2 0 326.485 -0.021 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)CC)C[C@H]1O ZINC001081634318 813333727 /nfs/dbraw/zinc/33/37/27/813333727.db2.gz GAWFSCLQELLFEU-LSDHHAIUSA-N 2 0 342.484 -0.395 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001081634852 813337733 /nfs/dbraw/zinc/33/77/33/813337733.db2.gz NFBXJLPXQMEFIV-GJZGRUSLSA-N 2 0 342.484 -0.395 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@@H]1O ZINC001081635132 813339831 /nfs/dbraw/zinc/33/98/31/813339831.db2.gz QBKRFMGUHQMXJS-GJZGRUSLSA-N 2 0 342.484 -0.396 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@@H]1O ZINC001081635131 813340061 /nfs/dbraw/zinc/34/00/61/813340061.db2.gz QBKRFMGUHQMXJS-CABCVRRESA-N 2 0 342.484 -0.396 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CCN1C(=O)CCC1=O)[NH+](C)C ZINC001265789048 813371891 /nfs/dbraw/zinc/37/18/91/813371891.db2.gz YREZSGAJDAHSFO-DOMZBBRYSA-N 2 0 326.441 -0.184 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)CCNS(C)(=O)=O)CC[N@@H+]1C ZINC001265848112 813384449 /nfs/dbraw/zinc/38/44/49/813384449.db2.gz FHXQYZSOCGABDO-CHWSQXEVSA-N 2 0 334.486 -0.686 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001265869728 813394834 /nfs/dbraw/zinc/39/48/34/813394834.db2.gz ATDATOZBZSPLME-STQMWFEESA-N 2 0 339.440 -0.493 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CCCO)C1 ZINC001265881320 813401936 /nfs/dbraw/zinc/40/19/36/813401936.db2.gz HWDAXDHCPIXEQX-HUUCEWRRSA-N 2 0 340.468 -0.593 20 0 EBADRP CC1CC[NH+](CC(=O)NCCC[N@H+](C)[C@@H]2CCC(=O)NC2=O)CC1 ZINC001265944788 813421444 /nfs/dbraw/zinc/42/14/44/813421444.db2.gz QQLGSZDDMKUWJR-CQSZACIVSA-N 2 0 338.452 -0.038 20 0 EBADRP C[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)CCNS(C)(=O)=O ZINC001265955001 813426200 /nfs/dbraw/zinc/42/62/00/813426200.db2.gz ZVGDKRWNBHFVCD-UHFFFAOYSA-N 2 0 332.470 -0.931 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001081700946 813438194 /nfs/dbraw/zinc/43/81/94/813438194.db2.gz NTYMEAQATUAQTE-KBPBESRZSA-N 2 0 340.468 -0.785 20 0 EBADRP CC[N@H+](CCCNC(=O)C[NH+]1CCCC1)[C@H](C)C(=O)NC(=O)NC ZINC001266108805 813458139 /nfs/dbraw/zinc/45/81/39/813458139.db2.gz GWTBTWSEGAAXND-CYBMUJFWSA-N 2 0 341.456 -0.246 20 0 EBADRP C[NH+](C)CCCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081732316 813486941 /nfs/dbraw/zinc/48/69/41/813486941.db2.gz GKFOSTWEXMCKQE-KBPBESRZSA-N 2 0 328.457 -0.785 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081733585 813489797 /nfs/dbraw/zinc/48/97/97/813489797.db2.gz WCVNNPSEMAHJPJ-KBPBESRZSA-N 2 0 328.457 -0.785 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1O ZINC001081733796 813489974 /nfs/dbraw/zinc/48/99/74/813489974.db2.gz YYKLDXZRXGIETN-UONOGXRCSA-N 2 0 340.468 -0.785 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C2CC2)CCC1 ZINC001266411618 813560854 /nfs/dbraw/zinc/56/08/54/813560854.db2.gz APYJCRBBFWWSIT-OLZOCXBDSA-N 2 0 336.436 -0.240 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001266547221 813604757 /nfs/dbraw/zinc/60/47/57/813604757.db2.gz LZNLLZKHICWWGI-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]([NH2+]CCOCCO)C1 ZINC001266566020 813611180 /nfs/dbraw/zinc/61/11/80/813611180.db2.gz YFWDYOYXTZEYAM-GJZGRUSLSA-N 2 0 329.441 -0.846 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001266634789 813628086 /nfs/dbraw/zinc/62/80/86/813628086.db2.gz FWGLRVCPNQUCQQ-HAQNSBGRSA-N 2 0 325.413 -0.883 20 0 EBADRP CN(CC[NH2+]C[C@@H](O)COC1CCOCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001266660115 813633480 /nfs/dbraw/zinc/63/34/80/813633480.db2.gz KEWFVEHKIDYJKD-GDBMZVCRSA-N 2 0 343.468 -0.315 20 0 EBADRP CN(CC[NH2+]CCN1C(=O)CCC1=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266701681 813646025 /nfs/dbraw/zinc/64/60/25/813646025.db2.gz ATBBMPRBWPGISO-CQSZACIVSA-N 2 0 336.436 -0.475 20 0 EBADRP CC[C@@H](C(=O)N(C)CC[NH2+]CC(=O)N1CCO[C@H](C)C1)[NH+](C)C ZINC001266835970 813680060 /nfs/dbraw/zinc/68/00/60/813680060.db2.gz BYCGHNHZVUYFPB-KGLIPLIRSA-N 2 0 328.457 -0.378 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](C(=O)NCC[NH2+]CCO)C2)C1 ZINC001267002647 813730160 /nfs/dbraw/zinc/73/01/60/813730160.db2.gz QIYSALSOFWBTGB-LSDHHAIUSA-N 2 0 340.468 -0.735 20 0 EBADRP COCCOC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001267015972 813734514 /nfs/dbraw/zinc/73/45/14/813734514.db2.gz APUBXXMOUPSTQD-HOTGVXAUSA-N 2 0 343.468 -0.457 20 0 EBADRP CC(=O)NCCOCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001267263686 813811075 /nfs/dbraw/zinc/81/10/75/813811075.db2.gz LKDSUSADRDGMML-JKSUJKDBSA-N 2 0 340.468 -0.186 20 0 EBADRP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001082317382 813888456 /nfs/dbraw/zinc/88/84/56/813888456.db2.gz CTSRCJKLCANSOT-HZPDHXFCSA-N 2 0 325.453 -0.084 20 0 EBADRP CC(C)[C@H](C(=O)N(C)CC[NH2+]CCN1CCCS1(=O)=O)[NH+](C)C ZINC001267458610 813902139 /nfs/dbraw/zinc/90/21/39/813902139.db2.gz JCHZNNZSGULVSR-CQSZACIVSA-N 2 0 348.513 -0.344 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCC(=O)NC1=O)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001267491748 813914711 /nfs/dbraw/zinc/91/47/11/813914711.db2.gz OFRMZXQYFGTWIL-OCCSQVGLSA-N 2 0 338.452 -0.040 20 0 EBADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001082557600 813967731 /nfs/dbraw/zinc/96/77/31/813967731.db2.gz RYSBBKPKBSOHTM-JHJVBQTASA-N 2 0 336.436 -0.288 20 0 EBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C)C(N)=O ZINC001082592039 813974982 /nfs/dbraw/zinc/97/49/82/813974982.db2.gz KFOOAGMUMSKGIS-HZSPNIEDSA-N 2 0 340.468 -0.345 20 0 EBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082740867 814003611 /nfs/dbraw/zinc/00/36/11/814003611.db2.gz INWIVUSCUYYAIX-RBSFLKMASA-N 2 0 337.468 -0.068 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082920787 814023525 /nfs/dbraw/zinc/02/35/25/814023525.db2.gz DWQRTCFWAGQRII-HZSPNIEDSA-N 2 0 336.436 -0.476 20 0 EBADRP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCNS(C)(=O)=O)[NH+](C)C ZINC001267968705 814079826 /nfs/dbraw/zinc/07/98/26/814079826.db2.gz AXXSAKNFFWBARK-ZIAGYGMSSA-N 2 0 348.513 -0.298 20 0 EBADRP CCN(CC[NH2+]CC(=O)Nc1cnccn1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268439556 814243637 /nfs/dbraw/zinc/24/36/37/814243637.db2.gz REBAMRPCKPODIM-ZDUSSCGKSA-N 2 0 334.424 -0.053 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)NCC(F)(F)F)C1 ZINC001268626034 814324597 /nfs/dbraw/zinc/32/45/97/814324597.db2.gz LYNCUEANJLWMMA-QUCGXOGASA-N 2 0 336.358 -0.121 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001268625900 814325329 /nfs/dbraw/zinc/32/53/29/814325329.db2.gz VPGLXYXMOINAJL-YWVDXFKGSA-N 2 0 337.424 -0.858 20 0 EBADRP C[C@H](C[N@H+](C)CCCN1C(=O)CNC1=O)NC(=O)[C@H]1CCC[NH+]1C 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EBADRP CCS(=O)(=O)NCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001275538478 817247547 /nfs/dbraw/zinc/24/75/47/817247547.db2.gz GMALLYCEBXEWRL-QWHCGFSZSA-N 2 0 346.497 -0.496 20 0 EBADRP Cn1cc(C[NH+]2CC3(C2)CCN(CC[NH+](C)C)C3)c(=O)n(C)c1=O ZINC001276321337 817385409 /nfs/dbraw/zinc/38/54/09/817385409.db2.gz GEWRNYFBHTYDQG-UHFFFAOYSA-N 2 0 335.452 -0.847 20 0 EBADRP CN(CCC[NH2+]CCN1CCCS1(=O)=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001276379404 817393425 /nfs/dbraw/zinc/39/34/25/817393425.db2.gz DXWJQCPHJUIGFO-CQSZACIVSA-N 2 0 346.497 -0.588 20 0 EBADRP COC(C[N@@H+]1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1)OC ZINC001276644073 817443960 /nfs/dbraw/zinc/44/39/60/817443960.db2.gz RSQLKFNWDHXTCJ-KRWDZBQOSA-N 2 0 342.484 -0.177 20 0 EBADRP Cn1ncnc1C(=O)N1CCO[C@H]2C[N@H+](CC3CC[NH+](C)CC3)C[C@H]21 ZINC001276695853 817454000 /nfs/dbraw/zinc/45/40/00/817454000.db2.gz DHXJYDPRKOXGIE-CABCVRRESA-N 2 0 348.451 -0.318 20 0 EBADRP Cn1cnc(S(=O)(=O)N2CC3(C2)C[NH+](CC2CC[NH2+]CC2)C3)c1 ZINC001276713553 817459155 /nfs/dbraw/zinc/45/91/55/817459155.db2.gz JBLVFFSFDLCGGJ-UHFFFAOYSA-N 2 0 339.465 -0.274 20 0 EBADRP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090519451 817501176 /nfs/dbraw/zinc/50/11/76/817501176.db2.gz HMXYJIHBHVGPOB-KGLIPLIRSA-N 2 0 325.409 -0.111 20 0 EBADRP C[C@H](CCC[NH2+]CC(=O)N(C)C1CC1)NC(=O)[C@H]1CN(C)CCO1 ZINC001277157060 817524500 /nfs/dbraw/zinc/52/45/00/817524500.db2.gz UGQHFMJNBBWWOK-UKRRQHHQSA-N 2 0 340.468 -0.188 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](O)C1 ZINC001090639784 817604219 /nfs/dbraw/zinc/60/42/19/817604219.db2.gz ZZSJSEVLWLPFBG-LSDHHAIUSA-N 2 0 339.440 -0.744 20 0 EBADRP O=C([C@@H]1CC12C[NH+](CC1CC[NH2+]CC1)C2)N1CCn2cnnc2C1 ZINC001277821708 817640408 /nfs/dbraw/zinc/64/04/08/817640408.db2.gz MGXUADGAXYXUTA-AWEZNQCLSA-N 2 0 330.436 -0.058 20 0 EBADRP C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]CCN1C(=O)CNC1=O ZINC001277913547 817656224 /nfs/dbraw/zinc/65/62/24/817656224.db2.gz GUTZEWCUIAUYTK-GFCCVEGCSA-N 2 0 339.440 -0.684 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2C[NH2+]CCNS(C)(=O)=O)C1 ZINC001277940289 817660156 /nfs/dbraw/zinc/66/01/56/817660156.db2.gz GYXMYGHCKJZBGB-ZIAGYGMSSA-N 2 0 346.497 -0.542 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCNS(C)(=O)=O)[NH+](C)C ZINC001277979730 817667737 /nfs/dbraw/zinc/66/77/37/817667737.db2.gz AXXSAKNFFWBARK-KBPBESRZSA-N 2 0 348.513 -0.298 20 0 EBADRP CCN1CCO[C@H](C(=O)N2CCC[C@H]2C[NH2+]CCOCCO)C1 ZINC001278005413 817672874 /nfs/dbraw/zinc/67/28/74/817672874.db2.gz LIBKXVLHRYASBB-GJZGRUSLSA-N 2 0 329.441 -0.703 20 0 EBADRP O=C(N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001090708435 817681555 /nfs/dbraw/zinc/68/15/55/817681555.db2.gz SFVBXINANGCFBM-CVEARBPZSA-N 2 0 325.453 -0.348 20 0 EBADRP Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)cn1 ZINC001090730017 817704732 /nfs/dbraw/zinc/70/47/32/817704732.db2.gz DPRQLNFLTSATRN-CVEARBPZSA-N 2 0 347.463 -0.390 20 0 EBADRP O=C(NC[C@@H](CO)[NH2+]CCO[C@H]1CC1(F)F)C12CC[NH+](CC1)C2 ZINC001278178162 817718648 /nfs/dbraw/zinc/71/86/48/817718648.db2.gz CJHCMTIESLXCEY-RYUDHWBXSA-N 2 0 333.379 -0.427 20 0 EBADRP C[C@@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001278416513 817758596 /nfs/dbraw/zinc/75/85/96/817758596.db2.gz NOFNRQCUCGLXRZ-OLZOCXBDSA-N 2 0 344.481 -0.790 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@](C)(C[NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001278582360 817783085 /nfs/dbraw/zinc/78/30/85/817783085.db2.gz KYRMKYWNTBDSKC-DZGCQCFKSA-N 2 0 346.497 -0.685 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@](C)(C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001278582729 817783417 /nfs/dbraw/zinc/78/34/17/817783417.db2.gz OWZILTPPUFPOJS-CXAGYDPISA-N 2 0 338.452 -0.040 20 0 EBADRP Cc1noc(CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001278737579 817801697 /nfs/dbraw/zinc/80/16/97/817801697.db2.gz QDFIFMZCLTXKIS-UONOGXRCSA-N 2 0 339.440 -0.186 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC(=O)N2CCOCC2)C1 ZINC001090957054 817829353 /nfs/dbraw/zinc/82/93/53/817829353.db2.gz SYTOZADPFGPNSD-YMAMQOFZSA-N 2 0 338.452 -0.576 20 0 EBADRP CN(C[C@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001278789764 817831244 /nfs/dbraw/zinc/83/12/44/817831244.db2.gz ACPKXUWTTJCALJ-CYBMUJFWSA-N 2 0 349.497 -0.686 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@]2(O)CC[N@H+](CCOCCO)C2)CCC1 ZINC001278787975 817832064 /nfs/dbraw/zinc/83/20/64/817832064.db2.gz YOXCUTRMJYMNKO-OAHLLOKOSA-N 2 0 329.441 -0.967 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CC(CNC(=O)C34CCC[NH+]3CCC4)C2)nc1=O ZINC001091119151 817890966 /nfs/dbraw/zinc/89/09/66/817890966.db2.gz OSXOKKCRSZWXPZ-UHFFFAOYSA-N 2 0 348.451 -0.279 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(C)CCOCC[NH2+][C@@H]2CCNC2=O)CC[N@@H+]1C ZINC001279409383 817927217 /nfs/dbraw/zinc/92/72/17/817927217.db2.gz VVFFNIWFMIDDOM-MGPQQGTHSA-N 2 0 326.441 -0.720 20 0 EBADRP CN(CCOCC[NH2+][C@H]1CCNC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001279436348 817931063 /nfs/dbraw/zinc/93/10/63/817931063.db2.gz CZXFDDOVIAENOP-AWEZNQCLSA-N 2 0 326.441 -0.719 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CCOCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001279437748 817932463 /nfs/dbraw/zinc/93/24/63/817932463.db2.gz YNYUIEDAGLOLMR-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001093673526 818079319 /nfs/dbraw/zinc/07/93/19/818079319.db2.gz SJMMSALIOYGVTN-UPJWGTAASA-N 2 0 336.440 -0.613 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001093864496 818117010 /nfs/dbraw/zinc/11/70/10/818117010.db2.gz PAPWASMWNAOEMH-MCIONIFRSA-N 2 0 335.456 -0.122 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001094220881 818180652 /nfs/dbraw/zinc/18/06/52/818180652.db2.gz BAJAPVIFBJCLOK-MCIONIFRSA-N 2 0 336.436 -0.429 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H](C)C1 ZINC001281457841 818187984 /nfs/dbraw/zinc/18/79/84/818187984.db2.gz LUYYIJXERXVUIJ-STQMWFEESA-N 2 0 334.486 -0.686 20 0 EBADRP O=C([C@H]1CCC[C@H]2CCC[N@@H+]21)N1CCC(O)(C[NH2+]CCO)CC1 ZINC001281635336 818239569 /nfs/dbraw/zinc/23/95/69/818239569.db2.gz QUXMAZZWDHPNJQ-LSDHHAIUSA-N 2 0 325.453 -0.061 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)CCCN1C(=O)CNC1=O ZINC001282444681 818432653 /nfs/dbraw/zinc/43/26/53/818432653.db2.gz VKRJCPUFJFVGPD-QWHCGFSZSA-N 2 0 339.440 -0.541 20 0 EBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)CCCN1C(=O)CNC1=O ZINC001282444680 818432873 /nfs/dbraw/zinc/43/28/73/818432873.db2.gz VKRJCPUFJFVGPD-CHWSQXEVSA-N 2 0 339.440 -0.541 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001283064184 818620734 /nfs/dbraw/zinc/62/07/34/818620734.db2.gz GTHUUQVARYAZKC-CQSZACIVSA-N 2 0 340.468 -0.188 20 0 EBADRP CN1CC[C@H]([N@H+](C)CCOCCNC(=O)C2CC[NH+](C)CC2)C1=O ZINC001283408951 818800314 /nfs/dbraw/zinc/80/03/14/818800314.db2.gz UTUUXEPGKFZKPO-HNNXBMFYSA-N 2 0 340.468 -0.377 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCNS(C)(=O)=O)CC[N@@H+]1C ZINC001283613396 818880922 /nfs/dbraw/zinc/88/09/22/818880922.db2.gz WUQPJDMLDFTGEL-MELADBBJSA-N 2 0 348.513 -0.298 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001283862448 819005712 /nfs/dbraw/zinc/00/57/12/819005712.db2.gz IXVHJLGHYXXJOY-KGLIPLIRSA-N 2 0 326.441 -0.767 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001283862447 819005883 /nfs/dbraw/zinc/00/58/83/819005883.db2.gz IXVHJLGHYXXJOY-KBPBESRZSA-N 2 0 326.441 -0.767 20 0 EBADRP CC[C@H](C(=O)N[C@H]1CCN(C(=O)COCC[NH+](C)C)C1)[NH+](C)C ZINC001283875033 819012518 /nfs/dbraw/zinc/01/25/18/819012518.db2.gz KCHKEKBRWGBSSG-UONOGXRCSA-N 2 0 328.457 -0.378 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001284079203 819088917 /nfs/dbraw/zinc/08/89/17/819088917.db2.gz FWVVHFLLOGYEEY-HZSPNIEDSA-N 2 0 326.441 -0.578 20 0 EBADRP C[C@@H](O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001098368079 819153368 /nfs/dbraw/zinc/15/33/68/819153368.db2.gz 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CCOCCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001284818333 819360775 /nfs/dbraw/zinc/36/07/75/819360775.db2.gz INPQYMSKPNMWHS-WLYUNCDWSA-N 2 0 340.468 -0.330 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CCOCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001284869641 819380859 /nfs/dbraw/zinc/38/08/59/819380859.db2.gz YYHAXOMOGPRYGT-ZFWWWQNUSA-N 2 0 340.468 -0.473 20 0 EBADRP CN(CCOCC[NH2+]CC(N)=O)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001284877057 819386621 /nfs/dbraw/zinc/38/66/21/819386621.db2.gz SNIXTKFWKNJKIO-KBPBESRZSA-N 2 0 326.441 -0.447 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCOCC[NH2+][C@@H]1CCNC1=O ZINC001284878789 819387040 /nfs/dbraw/zinc/38/70/40/819387040.db2.gz VGUSKVADZBQXDJ-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CN(CCOCC[NH2+]Cc1cnnn1C)C(=O)C12CC[NH+](CC1)C2 ZINC001284877613 819387485 /nfs/dbraw/zinc/38/74/85/819387485.db2.gz GUDWAFALURLIJY-UHFFFAOYSA-N 2 0 336.440 -0.525 20 0 EBADRP O=C(N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O)c1ccn2c[nH+]cc2c1 ZINC001099907326 819895322 /nfs/dbraw/zinc/89/53/22/819895322.db2.gz ULTXBJMAFSPYEZ-HZPDHXFCSA-N 2 0 348.403 -0.492 20 0 EBADRP Cc1noc(CCC[N@H+]2CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)n1 ZINC001099985475 819990594 /nfs/dbraw/zinc/99/05/94/819990594.db2.gz CTAYENFIAGHSIL-KBPBESRZSA-N 2 0 339.440 -0.186 20 0 EBADRP CN(CCOCCNC(=O)C[NH+]1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001287407365 820042017 /nfs/dbraw/zinc/04/20/17/820042017.db2.gz CBUILCVIXGQQPQ-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP COCCC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001100050483 820125569 /nfs/dbraw/zinc/12/55/69/820125569.db2.gz IYFDHORTHISIJI-HOTGVXAUSA-N 2 0 343.468 -0.315 20 0 EBADRP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001100080204 820177519 /nfs/dbraw/zinc/17/75/19/820177519.db2.gz FWNLFEHSEWLJLO-CABCVRRESA-N 2 0 338.456 -0.439 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCc2ccnn2C)C[C@H]1O ZINC001100083494 820185250 /nfs/dbraw/zinc/18/52/50/820185250.db2.gz SYARFSHKNCOQJB-HZPDHXFCSA-N 2 0 337.468 -0.144 20 0 EBADRP CS(=O)(=O)CC[NH2+]C1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001100335172 820364770 /nfs/dbraw/zinc/36/47/70/820364770.db2.gz MZFYHRHLPFZAHZ-ZALBZXLWSA-N 2 0 343.493 -0.143 20 0 EBADRP C[NH+](C)CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001289077047 820365997 /nfs/dbraw/zinc/36/59/97/820365997.db2.gz OZPAMBGQECMSBB-RBSFLKMASA-N 2 0 340.468 -0.642 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100378305 820385439 /nfs/dbraw/zinc/38/54/39/820385439.db2.gz VNDKCTNYUCCFHL-HTAVTVPLSA-N 2 0 345.419 -0.654 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1)C1CC1 ZINC001100407873 820406972 /nfs/dbraw/zinc/40/69/72/820406972.db2.gz MXYZJIAUAOXIRR-UBHUBRDASA-N 2 0 346.497 -0.640 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCC1CC([NH2+]CCN2CCNC2=O)C1)C1CC1 ZINC001100407747 820407107 /nfs/dbraw/zinc/40/71/07/820407107.db2.gz IDSGCUKKZHUEAB-PESDSKBTSA-N 2 0 337.468 -0.164 20 0 EBADRP CC[C@H](C(=O)NCC1CC([NH2+]CC(=O)N2CCOCC2)C1)[NH+](C)C ZINC001100442395 820423369 /nfs/dbraw/zinc/42/33/69/820423369.db2.gz FKUPDEVDBPOQHA-YMAMQOFZSA-N 2 0 340.468 -0.330 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CC(=O)N(C)C)C2)C1 ZINC001100605923 820484137 /nfs/dbraw/zinc/48/41/37/820484137.db2.gz ZYWPFFRUFSJQQQ-NRXISQOPSA-N 2 0 340.468 -0.332 20 0 EBADRP C[NH+](C)CCC(=O)NCC1CC([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001100637403 820496161 /nfs/dbraw/zinc/49/61/61/820496161.db2.gz QIHGKATXLYAJGW-UHFFFAOYSA-N 2 0 346.497 -0.542 20 0 EBADRP C[NH+](C)CCC(=O)NCC1CC([NH2+]CC(=O)Nc2cnccn2)C1 ZINC001100636914 820496439 /nfs/dbraw/zinc/49/64/39/820496439.db2.gz RBISYBLAXMHZAX-UHFFFAOYSA-N 2 0 334.424 -0.149 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100638556 820498000 /nfs/dbraw/zinc/49/80/00/820498000.db2.gz RLOUVPLBSWBQBR-WLYUNCDWSA-N 2 0 342.484 -0.036 20 0 EBADRP CC(C)[C@H](C(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001100647496 820499171 /nfs/dbraw/zinc/49/91/71/820499171.db2.gz YNPVQNWSUROLOJ-JXQTWKCFSA-N 2 0 348.513 -0.394 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1CC([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001100770349 820546843 /nfs/dbraw/zinc/54/68/43/820546843.db2.gz CHIYKBYKLYOFLI-PNESKVBLSA-N 2 0 341.456 -0.343 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CC(CNC(=O)C[C@@H]3CC[N@H+](C)C3)C2)nc1=O ZINC001100873140 820586401 /nfs/dbraw/zinc/58/64/01/820586401.db2.gz WCCSGJOHRPYWOS-HIFPTAJRSA-N 2 0 336.440 -0.565 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCC2CC([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001100872793 820586613 /nfs/dbraw/zinc/58/66/13/820586613.db2.gz JWUIZTIBEAHTFA-VOMCLLRMSA-N 2 0 325.413 -0.993 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+]CC(=O)NC(=O)NC)C1 ZINC001100901921 820594041 /nfs/dbraw/zinc/59/40/41/820594041.db2.gz VLTOEAWZUIZIIV-UHFFFAOYSA-N 2 0 327.429 -0.732 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001100980665 820630783 /nfs/dbraw/zinc/63/07/83/820630783.db2.gz ANIXPXOQVVWJNO-ROKHWSDSSA-N 2 0 331.482 -0.143 20 0 EBADRP CN(CC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001100981093 820630902 /nfs/dbraw/zinc/63/09/02/820630902.db2.gz VNOGODLCYXMODB-ROKHWSDSSA-N 2 0 346.497 -0.686 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1CC([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001101038002 820661087 /nfs/dbraw/zinc/66/10/87/820661087.db2.gz ZCEAJANFVBIMAQ-UHFFFAOYSA-N 2 0 338.452 -0.040 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CCOCCO)C[C@@]3(C)C2)C1 ZINC001101460455 820797424 /nfs/dbraw/zinc/79/74/24/820797424.db2.gz GKZWFVMKRLHHCX-UXLLHSPISA-N 2 0 325.453 -0.273 20 0 EBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001102086045 821022244 /nfs/dbraw/zinc/02/22/44/821022244.db2.gz OFXHKUGKXXSHPN-ZIAGYGMSSA-N 2 0 340.468 -0.486 20 0 EBADRP CCOCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102314344 821068796 /nfs/dbraw/zinc/06/87/96/821068796.db2.gz CJLOQULCONXIKG-HUUCEWRRSA-N 2 0 342.484 -0.225 20 0 EBADRP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579116 821160566 /nfs/dbraw/zinc/16/05/66/821160566.db2.gz IQLAYBSQFILQCM-ZIAGYGMSSA-N 2 0 346.497 -0.685 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398108 821306631 /nfs/dbraw/zinc/30/66/31/821306631.db2.gz CWHAZFPXDQKDND-JHJVBQTASA-N 2 0 341.456 -0.404 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CN(C(=O)COCC[NH+](C)C)C1 ZINC001297069104 821312230 /nfs/dbraw/zinc/31/22/30/821312230.db2.gz CPUHOWSXLGKHRD-OKILXGFUSA-N 2 0 340.468 -0.236 20 0 EBADRP O=C(C[NH+]1CCCC1)NCc1cccc(N2CC[C@H]([NH2+]CCO)C2)n1 ZINC001127857759 828338961 /nfs/dbraw/zinc/33/89/61/828338961.db2.gz YDCCXKBLKUKHGX-INIZCTEOSA-N 2 0 347.463 -0.046 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC(n2cc(C[NH2+]CCCF)nn2)C1 ZINC001105360857 821718643 /nfs/dbraw/zinc/71/86/43/821718643.db2.gz KODJVGLXROTFKZ-UHFFFAOYSA-N 2 0 342.419 -0.311 20 0 EBADRP COCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372725 821726966 /nfs/dbraw/zinc/72/69/66/821726966.db2.gz UWQSPZAZEHGNCE-CYBMUJFWSA-N 2 0 336.440 -0.261 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCOC2(CCC([NH2+]CC(N)=O)CC2)C1 ZINC001105483920 821760986 /nfs/dbraw/zinc/76/09/86/821760986.db2.gz NMXCHWOEFIEAOV-UHFFFAOYSA-N 2 0 340.468 -0.057 20 0 EBADRP COCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001316718961 821835542 /nfs/dbraw/zinc/83/55/42/821835542.db2.gz KHRJVZOZIKOOHA-GFCCVEGCSA-N 2 0 337.424 -0.124 20 0 EBADRP CC(C)[C@H](C)NC(=O)C[N@H+](C)CCCNC(=O)[C@H]1CN(C)CCO1 ZINC001316819050 821865509 /nfs/dbraw/zinc/86/55/09/821865509.db2.gz DFXUYIDNDWULLL-LSDHHAIUSA-N 2 0 342.484 -0.084 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001316828373 821871203 /nfs/dbraw/zinc/87/12/03/821871203.db2.gz CLQBANVFMFSYJE-CHWSQXEVSA-N 2 0 341.456 -0.118 20 0 EBADRP C[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CC(=O)NC(N)=O ZINC001316853364 821888901 /nfs/dbraw/zinc/88/89/01/821888901.db2.gz GNJMSDRWKUTSLC-OLZOCXBDSA-N 2 0 339.440 -0.364 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001317067027 821991628 /nfs/dbraw/zinc/99/16/28/821991628.db2.gz KHDCAOGZBXAIQN-STQMWFEESA-N 2 0 339.440 -0.541 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001317093004 822000933 /nfs/dbraw/zinc/00/09/33/822000933.db2.gz LVPPQVOROOLYKK-JOCQHMNTSA-N 2 0 339.440 -0.316 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001105941622 822013127 /nfs/dbraw/zinc/01/31/27/822013127.db2.gz FCRXZCUASFSKJY-MGPQQGTHSA-N 2 0 346.497 -0.686 20 0 EBADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCCN1C(=O)CNC1=O ZINC001317264405 822054196 /nfs/dbraw/zinc/05/41/96/822054196.db2.gz IECBLHKZPBAUFW-LBPRGKRZSA-N 2 0 339.440 -0.636 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C(=O)NCC[NH2+]CCCO)C1 ZINC001317289040 822066206 /nfs/dbraw/zinc/06/62/06/822066206.db2.gz HWDAXDHCPIXEQX-GJZGRUSLSA-N 2 0 340.468 -0.593 20 0 EBADRP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCN1C(=O)CNC1=O ZINC001317405722 822102044 /nfs/dbraw/zinc/10/20/44/822102044.db2.gz JPZBUKNPCVCNGI-STQMWFEESA-N 2 0 339.440 -0.636 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](CCN2C(=O)CNC2=O)C1 ZINC001317532819 822146817 /nfs/dbraw/zinc/14/68/17/822146817.db2.gz OSTOJNNBJNCLCU-ZDUSSCGKSA-N 2 0 339.440 -0.682 20 0 EBADRP CN(CC[NH2+]CC(=O)NC[C@@H]1CCCO1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317601283 822173001 /nfs/dbraw/zinc/17/30/01/822173001.db2.gz UKSVEWLRDXTOSI-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)NC(N)=O ZINC001317683784 822200914 /nfs/dbraw/zinc/20/09/14/822200914.db2.gz VHTRAIKWMMLAGS-LBPRGKRZSA-N 2 0 327.429 -0.508 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC(C[N@H+](C)[C@H]2CCC(=O)NC2=O)CC1 ZINC001317879350 822229242 /nfs/dbraw/zinc/22/92/42/822229242.db2.gz AXQJHIWHERAADI-AWEZNQCLSA-N 2 0 338.452 -0.086 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CCN(C)S(C)(=O)=O ZINC001106627122 822302839 /nfs/dbraw/zinc/30/28/39/822302839.db2.gz TYBIMBDWWRMNCC-ZIAGYGMSSA-N 2 0 348.513 -0.486 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106626957 822303274 /nfs/dbraw/zinc/30/32/74/822303274.db2.gz PBFNNJMOAANRMN-ZIAGYGMSSA-N 2 0 348.513 -0.439 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001106807825 822334526 /nfs/dbraw/zinc/33/45/26/822334526.db2.gz CNEFZNMFYPUPSH-ZIAGYGMSSA-N 2 0 340.468 -0.473 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106839941 822339881 /nfs/dbraw/zinc/33/98/81/822339881.db2.gz RZDXKPXZPBMQGD-VXGBXAGGSA-N 2 0 327.429 -0.793 20 0 EBADRP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106878324 822347186 /nfs/dbraw/zinc/34/71/86/822347186.db2.gz MGKYIPPIRALQPB-KFWWJZLASA-N 2 0 331.457 -0.744 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001128539490 828472157 /nfs/dbraw/zinc/47/21/57/828472157.db2.gz FSBJBXSVXOMLAH-GFCCVEGCSA-N 2 0 325.450 -0.193 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001128545186 828472792 /nfs/dbraw/zinc/47/27/92/828472792.db2.gz VRJUVEVINDWJTB-MNOVXSKESA-N 2 0 333.408 -0.784 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+][C@H](C)C(=O)NCCCOC ZINC001128552670 828474051 /nfs/dbraw/zinc/47/40/51/828474051.db2.gz RRPBPYUVMYTRQF-KGLIPLIRSA-N 2 0 348.463 -0.087 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001128779145 828525902 /nfs/dbraw/zinc/52/59/02/828525902.db2.gz PLPUPHPEBJWWJC-CYBMUJFWSA-N 2 0 334.486 -0.542 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129328515 828598570 /nfs/dbraw/zinc/59/85/70/828598570.db2.gz QGJWJYNXJPSUJN-CVEARBPZSA-N 2 0 345.484 -0.306 20 0 EBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001129334412 828599326 /nfs/dbraw/zinc/59/93/26/828599326.db2.gz MEMLADXNHIMILF-HZPDHXFCSA-N 2 0 337.468 -0.072 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129356208 828604661 /nfs/dbraw/zinc/60/46/61/828604661.db2.gz DMSCSTKAQBBGMJ-UHFFFAOYSA-N 2 0 334.486 -0.494 20 0 EBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364194 828606372 /nfs/dbraw/zinc/60/63/72/828606372.db2.gz RDZMFNCOWGXXKU-CQSZACIVSA-N 2 0 326.441 -0.528 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001129416168 828616514 /nfs/dbraw/zinc/61/65/14/828616514.db2.gz FPBLKCOZQURXBK-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]C[C@H]1CCCS(=O)(=O)C1)C1CC1 ZINC001129444775 828619773 /nfs/dbraw/zinc/61/97/73/828619773.db2.gz XQBLMEXPKQQDGB-OCCSQVGLSA-N 2 0 331.482 -0.143 20 0 EBADRP CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129455357 828622240 /nfs/dbraw/zinc/62/22/40/828622240.db2.gz UWXCJQMEHSHABK-ZFWWWQNUSA-N 2 0 342.484 -0.036 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O)C1CC1 ZINC001129456001 828622777 /nfs/dbraw/zinc/62/27/77/828622777.db2.gz ZRLYHLNGFCPNGF-GFCCVEGCSA-N 2 0 339.440 -0.637 20 0 EBADRP COCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129461181 828622783 /nfs/dbraw/zinc/62/27/83/828622783.db2.gz QAWZENNWAHGWTQ-CABCVRRESA-N 2 0 338.456 -0.004 20 0 EBADRP Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)C[N@H+](C)C3CCC3)C2=O)cn1 ZINC001129535217 828631971 /nfs/dbraw/zinc/63/19/71/828631971.db2.gz LORBUSFPISRIHA-OAHLLOKOSA-N 2 0 348.451 -0.285 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129841936 828680475 /nfs/dbraw/zinc/68/04/75/828680475.db2.gz RBGPJXQTXFFSAT-LSDHHAIUSA-N 2 0 331.457 -0.410 20 0 EBADRP COCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894306 828689382 /nfs/dbraw/zinc/68/93/82/828689382.db2.gz AAMQHALIKVTFLA-CABCVRRESA-N 2 0 336.440 -0.250 20 0 EBADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129985122 828707456 /nfs/dbraw/zinc/70/74/56/828707456.db2.gz PIBWDVAFKDEPNG-KFWWJZLASA-N 2 0 338.456 -0.004 20 0 EBADRP C[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)CC1 ZINC001129991958 828709468 /nfs/dbraw/zinc/70/94/68/828709468.db2.gz DYTRWOKYLJFHSV-CABCVRRESA-N 2 0 336.440 -0.656 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1 ZINC001130047808 828722186 /nfs/dbraw/zinc/72/21/86/828722186.db2.gz URBLSCSGEZOUCI-CABCVRRESA-N 2 0 338.456 -0.002 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)C1 ZINC001130086403 828730818 /nfs/dbraw/zinc/73/08/18/828730818.db2.gz ZPHWXYSYXJWFAT-ZNMIVQPWSA-N 2 0 336.440 -0.656 20 0 EBADRP O=C(NCC[NH2+]CCN1C(=O)CCC1=O)C12CCC[NH+](CCC1)C2 ZINC001130169902 828743657 /nfs/dbraw/zinc/74/36/57/828743657.db2.gz JFFAVESYPQELEN-UHFFFAOYSA-N 2 0 336.436 -0.283 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130187536 828750186 /nfs/dbraw/zinc/75/01/86/828750186.db2.gz XNKNXAQHDPLOFD-QWHCGFSZSA-N 2 0 339.440 -0.445 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O)[NH+](C)C ZINC001130204838 828755355 /nfs/dbraw/zinc/75/53/55/828755355.db2.gz AXVUELPPNHPBPA-CHWSQXEVSA-N 2 0 336.440 -0.429 20 0 EBADRP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130231952 828761084 /nfs/dbraw/zinc/76/10/84/828761084.db2.gz KUTHFUKPNXWJOS-AWEZNQCLSA-N 2 0 342.484 -0.035 20 0 EBADRP C[NH+](C)CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCO)C1 ZINC001112194243 825400583 /nfs/dbraw/zinc/40/05/83/825400583.db2.gz UUFNKWLSMYFRHM-GHMZBOCLSA-N 2 0 327.347 -0.464 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001130299708 828776874 /nfs/dbraw/zinc/77/68/74/828776874.db2.gz AVCKDNQGZBYUCK-UONOGXRCSA-N 2 0 346.497 -0.542 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001130303335 828777213 /nfs/dbraw/zinc/77/72/13/828777213.db2.gz AGRKORJVDJUDMJ-KGLIPLIRSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C)CCO1 ZINC001130303889 828777729 /nfs/dbraw/zinc/77/77/29/828777729.db2.gz NHAFLFCTFPRHDL-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C)n(C)n1 ZINC001130306286 828777763 /nfs/dbraw/zinc/77/77/63/828777763.db2.gz USFMFVVJSJDGHQ-ZDUSSCGKSA-N 2 0 336.440 -0.143 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CC(=O)Nc1nncs1 ZINC001130425129 828830396 /nfs/dbraw/zinc/83/03/96/828830396.db2.gz KRPSGQIOYWIFKY-UHFFFAOYSA-N 2 0 328.442 -0.087 20 0 EBADRP CC(C)NC(=O)NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001114041301 826121087 /nfs/dbraw/zinc/12/10/87/826121087.db2.gz JMHKPLQOIPWFQK-BARDWOONSA-N 2 0 337.468 -0.165 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H]1C ZINC001179861003 833019105 /nfs/dbraw/zinc/01/91/05/833019105.db2.gz HFCVTIJBCKVXOT-STQMWFEESA-N 2 0 339.440 -0.541 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCS(C)(=O)=O)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001179924910 833026467 /nfs/dbraw/zinc/02/64/67/833026467.db2.gz GQKMTVOCCGMZJW-IHRRRGAJSA-N 2 0 331.482 -0.048 20 0 EBADRP C[C@H]1[C@@H]([NH2+][C@@H]2CCCNC2=O)CCN1C(=O)COCC[NH+](C)C ZINC001179934133 833028234 /nfs/dbraw/zinc/02/82/34/833028234.db2.gz SLPLLOVUHYPIES-MELADBBJSA-N 2 0 326.441 -0.578 20 0 EBADRP CN(C)C(=O)C[NH2+]CCCCCCNC(=O)COCC[NH+](C)C ZINC001180061193 833038508 /nfs/dbraw/zinc/03/85/08/833038508.db2.gz ZZYJDQMCQIVYLU-UHFFFAOYSA-N 2 0 330.473 -0.081 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H](O)Cn4cccn4)C[C@H]32)CC1 ZINC001114743478 826331363 /nfs/dbraw/zinc/33/13/63/826331363.db2.gz KAVKQESPYLBQRY-WCVJEAGWSA-N 2 0 347.463 -0.368 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCN(C)S(C)(=O)=O)CCN1C(=O)C[NH+]1CCCC1 ZINC001180135108 833045230 /nfs/dbraw/zinc/04/52/30/833045230.db2.gz APDPEMMANPILLB-KBPBESRZSA-N 2 0 346.497 -0.447 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C)C(=O)NC(N)=O ZINC001180131375 833045285 /nfs/dbraw/zinc/04/52/85/833045285.db2.gz AWTWMPUEHQHNQA-WOPDTQHZSA-N 2 0 325.413 -0.755 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001180138849 833046694 /nfs/dbraw/zinc/04/66/94/833046694.db2.gz OYDDKCMQTLPDIV-AVGNSLFASA-N 2 0 332.470 -0.934 20 0 EBADRP CC1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@H+](CCOCCO)C[C@H]32)CC1 ZINC001115013641 826399599 /nfs/dbraw/zinc/39/95/99/826399599.db2.gz PTQHSKFNEIARDU-QLPKVWCKSA-N 2 0 325.453 -0.226 20 0 EBADRP CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC1CC[NH+](C)CC1 ZINC001115039221 826406170 /nfs/dbraw/zinc/40/61/70/826406170.db2.gz UOOVTMCMFOTAGS-YYWXWVFPSA-N 2 0 338.452 -0.722 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001115151308 826434037 /nfs/dbraw/zinc/43/40/37/826434037.db2.gz CIZGGIFNEVKUMV-LAQFHYBYSA-N 2 0 336.436 -0.476 20 0 EBADRP CCN(C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001115241447 826466716 /nfs/dbraw/zinc/46/67/16/826466716.db2.gz IFUJQZXTAULXHI-MKVSYHDVSA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2CN(Cc3cn(C)nn3)C[C@H]21 ZINC001115245226 826470127 /nfs/dbraw/zinc/47/01/27/826470127.db2.gz NVKOHHIWYMPPTQ-OJLVUWQFSA-N 2 0 348.451 -0.670 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)[C@@H]1C ZINC001180226828 833060193 /nfs/dbraw/zinc/06/01/93/833060193.db2.gz OMASCRSOTYYCHB-KBPBESRZSA-N 2 0 325.457 -0.069 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001115300266 826502433 /nfs/dbraw/zinc/50/24/33/826502433.db2.gz OMOOULZYTLMSEB-AIANPOQGSA-N 2 0 335.452 -0.369 20 0 EBADRP Cn1[nH]c(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CCCCC2)nc1=O ZINC001115707991 826573113 /nfs/dbraw/zinc/57/31/13/826573113.db2.gz IADQVGBNTIRLCD-UHFFFAOYSA-N 2 0 338.456 -0.031 20 0 EBADRP C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC001116302849 826612178 /nfs/dbraw/zinc/61/21/78/826612178.db2.gz JSQYNJUYYZXPKO-CYBMUJFWSA-N 2 0 332.364 -0.756 20 0 EBADRP C[NH+](C)C[C@H]1COCCN1C(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180610556 833096835 /nfs/dbraw/zinc/09/68/35/833096835.db2.gz LFONVPIHROIBBK-AWEZNQCLSA-N 2 0 326.441 -0.637 20 0 EBADRP COC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001180792239 833110577 /nfs/dbraw/zinc/11/05/77/833110577.db2.gz VMJPFYFYJFCRNB-JTQLQIEISA-N 2 0 331.417 -0.013 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)C[C@@H]21 ZINC001119065946 827053854 /nfs/dbraw/zinc/05/38/54/827053854.db2.gz FHCDKWPXHXPPDW-KKOKHZNYSA-N 2 0 348.369 -0.256 20 0 EBADRP OCC1(CO)CC[NH+](CCCC[NH+]2CCC(CO)(CO)CC2)CC1 ZINC001119268267 827095341 /nfs/dbraw/zinc/09/53/41/827095341.db2.gz DIWFZTZDNXPKIU-UHFFFAOYSA-N 2 0 344.496 -0.100 20 0 EBADRP Cn1c2nnc(CN3CC[NH2+]CC[NH2+]CC3)n2c2ccsc2c1=O ZINC001119618282 827126725 /nfs/dbraw/zinc/12/67/25/827126725.db2.gz FKRRLNJQTVHSFV-UHFFFAOYSA-N 2 0 347.448 -0.363 20 0 EBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)C[C@H]2C1 ZINC001120434963 827220125 /nfs/dbraw/zinc/22/01/25/827220125.db2.gz VBUNUSQXTGNMDQ-TUVASFSCSA-N 2 0 338.452 -0.720 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCc2nnc3n2CCCC3)CC1 ZINC001120504125 827235660 /nfs/dbraw/zinc/23/56/60/827235660.db2.gz HSENAKOZOTWUHV-OAHLLOKOSA-N 2 0 336.484 -0.255 20 0 EBADRP CC[NH+]1CCN(CCC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001120570589 827246473 /nfs/dbraw/zinc/24/64/73/827246473.db2.gz ULIALNKIPVLVQA-QGZVFWFLSA-N 3 0 327.517 -0.788 20 0 EBADRP CN(C)C(=O)C[NH2+]C1CC2(CC(NC(=O)COCC[NH+](C)C)C2)C1 ZINC001122063425 827513909 /nfs/dbraw/zinc/51/39/09/827513909.db2.gz ILBADLXVSLWLIL-UHFFFAOYSA-N 2 0 340.468 -0.330 20 0 EBADRP COCCC1(NC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC[NH2+]CC1 ZINC001122114919 827523306 /nfs/dbraw/zinc/52/33/06/827523306.db2.gz QDCOATKMHIGTKV-CYBMUJFWSA-N 2 0 326.441 -0.541 20 0 EBADRP C[C@H]([NH2+]C[C@]1(C)CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001182486495 833236735 /nfs/dbraw/zinc/23/67/35/833236735.db2.gz PCDGAUBTYCOZFO-BFQNTYOBSA-N 2 0 341.456 -0.404 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182676371 833252381 /nfs/dbraw/zinc/25/23/81/833252381.db2.gz JVWJRWHKNJKLOV-RBSFLKMASA-N 2 0 340.468 -0.330 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001124879298 827973567 /nfs/dbraw/zinc/97/35/67/827973567.db2.gz RHHLOPASKSSIEH-MNOVXSKESA-N 2 0 327.347 -0.274 20 0 EBADRP CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124879571 827973932 /nfs/dbraw/zinc/97/39/32/827973932.db2.gz WIIKAOQZAYBRKH-AWEZNQCLSA-N 2 0 336.440 -0.822 20 0 EBADRP CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001183164970 833282548 /nfs/dbraw/zinc/28/25/48/833282548.db2.gz HWXMMBQRSRQKQD-RHSMWYFYSA-N 2 0 342.484 -0.225 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001183240495 833284713 /nfs/dbraw/zinc/28/47/13/833284713.db2.gz HXZBCUVGUAINEN-CYBMUJFWSA-N 2 0 346.497 -0.400 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001183647723 833297816 /nfs/dbraw/zinc/29/78/16/833297816.db2.gz JDQCMSPXSDKSFA-CVEARBPZSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001127066741 828247238 /nfs/dbraw/zinc/24/72/38/828247238.db2.gz RSXHURWPWYSUGH-HUUCEWRRSA-N 2 0 340.468 -0.140 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001127322507 828278744 /nfs/dbraw/zinc/27/87/44/828278744.db2.gz RHKSJLZYZMKGHG-UHFFFAOYSA-N 2 0 341.456 -0.198 20 0 EBADRP CC(C)(C(=O)NCC[NH2+]CCNS(C)(=O)=O)[NH+]1CCCCC1 ZINC001127327881 828279866 /nfs/dbraw/zinc/27/98/66/828279866.db2.gz ZNTZEJFNPLRVSX-UHFFFAOYSA-N 2 0 334.486 -0.494 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2)Nc1nncs1 ZINC001127474157 828296825 /nfs/dbraw/zinc/29/68/25/828296825.db2.gz HUZCTGCIIFDEMH-NSHDSACASA-N 2 0 338.437 -0.476 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCc1cccnc1 ZINC001127473695 828297008 /nfs/dbraw/zinc/29/70/08/828297008.db2.gz CNYMOZHMENRMTN-MRXNPFEDSA-N 2 0 345.447 -0.255 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2)NCc1ccco1 ZINC001127475149 828297354 /nfs/dbraw/zinc/29/73/54/828297354.db2.gz ROYNYYZJFFZWFI-HNNXBMFYSA-N 2 0 334.420 -0.057 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(=O)Nc1ncccn1 ZINC001127474311 828297398 /nfs/dbraw/zinc/29/73/98/828297398.db2.gz KYMYERZZJBBSAY-JSGCOSHPSA-N 2 0 346.435 -0.149 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127479278 828297916 /nfs/dbraw/zinc/29/79/16/828297916.db2.gz BIOSWOSKKSXJBY-AWEZNQCLSA-N 2 0 346.497 -0.637 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC001127479642 828297982 /nfs/dbraw/zinc/29/79/82/828297982.db2.gz DDOYXPYHSHDKPS-UKRRQHHQSA-N 2 0 338.452 -0.719 20 0 EBADRP O=C(NCC[NH2+]CC[C@H]1CCS(=O)(=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001127480451 828298215 /nfs/dbraw/zinc/29/82/15/828298215.db2.gz KARVTZGNKYTRGL-ZFWWWQNUSA-N 2 0 343.493 -0.141 20 0 EBADRP COc1cncc(C[NH2+]CCNC(=O)c2ccn(CC[NH+](C)C)n2)n1 ZINC001127562314 828302224 /nfs/dbraw/zinc/30/22/24/828302224.db2.gz GROPBKBZWRUWKD-UHFFFAOYSA-N 2 0 347.423 -0.237 20 0 EBADRP CCCC[C@@H]([NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1)C(N)=O ZINC001127562048 828303101 /nfs/dbraw/zinc/30/31/01/828303101.db2.gz AGFBIUCZMHINLI-CYBMUJFWSA-N 2 0 338.456 -0.192 20 0 EBADRP Cn1ccc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1=O ZINC001127778031 828324469 /nfs/dbraw/zinc/32/44/69/828324469.db2.gz CFQWJXLFTFMSOT-LSDHHAIUSA-N 2 0 334.420 -0.546 20 0 EBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127778892 828326791 /nfs/dbraw/zinc/32/67/91/828326791.db2.gz HSGVOEBHSFSGSR-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP NC(=O)c1ccc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC001127779874 828328678 /nfs/dbraw/zinc/32/86/78/828328678.db2.gz RYOIDVOJLXLVON-CVEARBPZSA-N 2 0 346.431 -0.146 20 0 EBADRP CC(C)NC(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127785084 828329693 /nfs/dbraw/zinc/32/96/93/828329693.db2.gz FPZSNVBDJPMJSC-KBPBESRZSA-N 2 0 341.456 -0.737 20 0 EBADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001184432898 833330021 /nfs/dbraw/zinc/33/00/21/833330021.db2.gz ANNYWWHKEQCUQL-WCCAFZKYSA-N 2 0 339.436 -0.953 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001130656556 828908381 /nfs/dbraw/zinc/90/83/81/828908381.db2.gz KYXNCFWATBHHDW-GXTWGEPZSA-N 2 0 336.440 -0.869 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001130708853 828919366 /nfs/dbraw/zinc/91/93/66/828919366.db2.gz KLDQUXDSUNKFNQ-RYUDHWBXSA-N 2 0 327.429 -0.604 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001130711237 828920402 /nfs/dbraw/zinc/92/04/02/828920402.db2.gz RKRDDJUYMOWYKA-HNNXBMFYSA-N 2 0 342.484 -0.035 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001130725721 828922941 /nfs/dbraw/zinc/92/29/41/828922941.db2.gz BMSGZTFBLPMFCF-DZGCQCFKSA-N 2 0 348.451 -0.854 20 0 EBADRP O=C(C[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1)NC(=O)NC1CC1 ZINC001130867438 828983072 /nfs/dbraw/zinc/98/30/72/828983072.db2.gz DVFJIDWRKKONDB-UHFFFAOYSA-N 2 0 344.375 -0.358 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185085890 833346649 /nfs/dbraw/zinc/34/66/49/833346649.db2.gz NMEIQTBIIZXQME-VXGBXAGGSA-N 2 0 327.429 -0.793 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CC1 ZINC001185213842 833350176 /nfs/dbraw/zinc/35/01/76/833350176.db2.gz NLMQJQWQKBHFJK-GFCCVEGCSA-N 2 0 332.470 -0.932 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1cncn1C ZINC001131120965 829046879 /nfs/dbraw/zinc/04/68/79/829046879.db2.gz FVYSEPVGHQGRRZ-BFHYXJOUSA-N 2 0 348.451 -0.998 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1 ZINC001131130490 829050416 /nfs/dbraw/zinc/05/04/16/829050416.db2.gz PMJHQQPDPSKHTQ-CHWSQXEVSA-N 2 0 336.440 -0.870 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185384991 833357167 /nfs/dbraw/zinc/35/71/67/833357167.db2.gz JKESJDJCUIYPKT-WCQYABFASA-N 2 0 339.440 -0.637 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001185408681 833358073 /nfs/dbraw/zinc/35/80/73/833358073.db2.gz VUBSMBBJOSYEOP-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185455582 833359416 /nfs/dbraw/zinc/35/94/16/833359416.db2.gz QLJUXGCATXRUFQ-ZIAGYGMSSA-N 2 0 348.513 -0.298 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131370133 829116735 /nfs/dbraw/zinc/11/67/35/829116735.db2.gz FGUQBQGRZHCMDX-LLVKDONJSA-N 2 0 346.391 -0.112 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185682994 833366835 /nfs/dbraw/zinc/36/68/35/833366835.db2.gz VNMCFQXZJUFADJ-OLZOCXBDSA-N 2 0 339.440 -0.649 20 0 EBADRP CN1CCC[C@@H]([NH2+]CCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1=O ZINC001131519673 829150666 /nfs/dbraw/zinc/15/06/66/829150666.db2.gz IVKPTIKUYBZVGT-YXXKGXSTSA-N 2 0 336.436 -0.824 20 0 EBADRP CN1CCC[C@H]([NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1=O ZINC001131519666 829151193 /nfs/dbraw/zinc/15/11/93/829151193.db2.gz IVKPTIKUYBZVGT-CWVKQELPSA-N 2 0 336.436 -0.824 20 0 EBADRP COCCOCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519903 829152246 /nfs/dbraw/zinc/15/22/46/829152246.db2.gz NHKRWGNDAKAICX-BBBYJDLNSA-N 2 0 327.425 -0.782 20 0 EBADRP CC(C)(C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131525600 829154061 /nfs/dbraw/zinc/15/40/61/829154061.db2.gz BFHIBQQRYBTHCI-UIORMTCPSA-N 2 0 338.452 -0.530 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790563 829217724 /nfs/dbraw/zinc/21/77/24/829217724.db2.gz PIWMTDYODRVTIU-AWEZNQCLSA-N 2 0 346.497 -0.494 20 0 EBADRP O=C(NCC[NH2+]C[C@@H](O)Cn1cccn1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790163 829218447 /nfs/dbraw/zinc/21/84/47/829218447.db2.gz HPOQFRWYHAPPJN-HZPDHXFCSA-N 2 0 335.452 -0.176 20 0 EBADRP CN(CC[NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1)S(C)(=O)=O ZINC001131840944 829242706 /nfs/dbraw/zinc/24/27/06/829242706.db2.gz XMLICTUTUSWOLS-UHFFFAOYSA-N 2 0 348.513 -0.152 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC([C@H]2C[C@H]([NH2+]CC(N)=O)CCO2)CC1 ZINC001186094014 833388452 /nfs/dbraw/zinc/38/84/52/833388452.db2.gz GSIUAEMKAKVXBY-HUUCEWRRSA-N 2 0 340.468 -0.201 20 0 EBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CN1CC[C@H](C(=O)OC)C1 ZINC001186118437 833389741 /nfs/dbraw/zinc/38/97/41/833389741.db2.gz JEBRWUHXXGBTMX-LBPRGKRZSA-N 2 0 327.429 -0.455 20 0 EBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001186234509 833393148 /nfs/dbraw/zinc/39/31/48/833393148.db2.gz IHKYIIJWCJHLLK-CQSZACIVSA-N 2 0 336.440 -0.615 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186529745 833404571 /nfs/dbraw/zinc/40/45/71/833404571.db2.gz ATQVZSRGEZHCKY-AWEZNQCLSA-N 2 0 340.468 -0.342 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CC3)C2)CC1 ZINC001186615815 833408778 /nfs/dbraw/zinc/40/87/78/833408778.db2.gz KAZHGAYMBUOIOA-CQSZACIVSA-N 2 0 338.452 -0.434 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+]C[C@H](O)COCCOC)C1 ZINC001132738357 829512212 /nfs/dbraw/zinc/51/22/12/829512212.db2.gz ZTKHYPRDCRAERB-HOTGVXAUSA-N 2 0 345.484 -0.162 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCCO[C@H]2CCOC2)C1 ZINC001132848557 829535053 /nfs/dbraw/zinc/53/50/53/829535053.db2.gz KRKNUJDRCJSDHS-HOTGVXAUSA-N 2 0 343.468 -0.003 20 0 EBADRP Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)n1 ZINC001132848533 829535126 /nfs/dbraw/zinc/53/51/26/829535126.db2.gz KEFJHUHMEHEXAN-HNNXBMFYSA-N 2 0 338.456 -0.290 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCCO[C@H]2CCOC2)C1 ZINC001132848559 829535157 /nfs/dbraw/zinc/53/51/57/829535157.db2.gz KRKNUJDRCJSDHS-JKSUJKDBSA-N 2 0 343.468 -0.003 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)C[C@H](C)O1 ZINC001132995591 829568480 /nfs/dbraw/zinc/56/84/80/829568480.db2.gz ZUKWUHYRZOVUGJ-OKILXGFUSA-N 2 0 340.468 -0.330 20 0 EBADRP COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132994747 829569067 /nfs/dbraw/zinc/56/90/67/829569067.db2.gz ALWVJCGUPKEYIL-KGLIPLIRSA-N 2 0 331.457 -0.554 20 0 EBADRP C[NH+](C)CCCC(=O)NCC[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC001133051686 829577936 /nfs/dbraw/zinc/57/79/36/829577936.db2.gz LEDPFYHQPYJKDM-UHFFFAOYSA-N 2 0 341.456 -0.246 20 0 EBADRP C[NH+](C)CCCC(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F ZINC001133042544 829578002 /nfs/dbraw/zinc/57/80/02/829578002.db2.gz IAJQZLNUZVEYCF-NSHDSACASA-N 2 0 329.363 -0.026 20 0 EBADRP C[NH+](C)CCCC(=O)NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001133051408 829578007 /nfs/dbraw/zinc/57/80/07/829578007.db2.gz FUGQIOIRECAXKC-HUUCEWRRSA-N 2 0 331.457 -0.410 20 0 EBADRP C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133091507 829582654 /nfs/dbraw/zinc/58/26/54/829582654.db2.gz RXDSCFKQOYOETG-NEPJUHHUSA-N 2 0 327.429 -0.793 20 0 EBADRP C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001133092097 829582757 /nfs/dbraw/zinc/58/27/57/829582757.db2.gz YQHAQPPPFGMJNE-QWHCGFSZSA-N 2 0 338.456 -0.366 20 0 EBADRP C[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+]CC(N)=O ZINC001133200398 829604978 /nfs/dbraw/zinc/60/49/78/829604978.db2.gz RSMSATYTSYZTQW-UONOGXRCSA-N 2 0 340.468 -0.343 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC001133285904 829614891 /nfs/dbraw/zinc/61/48/91/829614891.db2.gz NSFLSPRFWIXZGU-OKILXGFUSA-N 2 0 340.468 -0.330 20 0 EBADRP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133291069 829615805 /nfs/dbraw/zinc/61/58/05/829615805.db2.gz JGYWHFIRUMCLBC-GFCCVEGCSA-N 2 0 329.445 -0.486 20 0 EBADRP Cn1cc(N2CCC[C@H]([NH2+]CCNC(=O)CC[NH+](C)C)C2=O)cn1 ZINC001133290957 829615836 /nfs/dbraw/zinc/61/58/36/829615836.db2.gz GDFKCOBXJWLOCA-AWEZNQCLSA-N 2 0 336.440 -0.427 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133288277 829615930 /nfs/dbraw/zinc/61/59/30/829615930.db2.gz UJVWQDXKJIFPMN-UHFFFAOYSA-N 2 0 334.486 -0.637 20 0 EBADRP COc1ccccc1CNC(=O)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133291283 829616888 /nfs/dbraw/zinc/61/68/88/829616888.db2.gz NTYOHNMNHWOAFF-UHFFFAOYSA-N 2 0 336.436 -0.031 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)NC(=O)NCc1ccccc1 ZINC001133297375 829618022 /nfs/dbraw/zinc/61/80/22/829618022.db2.gz MBILTXMFEMYNBK-UHFFFAOYSA-N 2 0 349.435 -0.330 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC001133300227 829618046 /nfs/dbraw/zinc/61/80/46/829618046.db2.gz QMOWMVLGIDKYKV-UHFFFAOYSA-N 2 0 327.429 -0.636 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C)n(C)n1 ZINC001133433852 829631502 /nfs/dbraw/zinc/63/15/02/829631502.db2.gz CCDBZUHKAQKMKY-OAHLLOKOSA-N 2 0 338.456 -0.041 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)N1CCOCC1)[NH+](CC)CC ZINC001133684809 829660920 /nfs/dbraw/zinc/66/09/20/829660920.db2.gz MUYYHMBTWQPSGK-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP COCCS(=O)(=O)CCC[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133823785 829679439 /nfs/dbraw/zinc/67/94/39/829679439.db2.gz ONPAHACQAUFZAB-CQSZACIVSA-N 2 0 349.497 -0.372 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C)C(=O)NC(=O)NC1CC1 ZINC001133834237 829681074 /nfs/dbraw/zinc/68/10/74/829681074.db2.gz RSVMWEZMTRKLNM-NWDGAFQWSA-N 2 0 339.440 -0.447 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001133845371 829684743 /nfs/dbraw/zinc/68/47/43/829684743.db2.gz CZBAOYSRKJXYCF-KGLIPLIRSA-N 2 0 326.441 -0.983 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133853688 829686196 /nfs/dbraw/zinc/68/61/96/829686196.db2.gz OMTADQDRXAYGLM-VXGBXAGGSA-N 2 0 327.429 -0.732 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133869312 829690837 /nfs/dbraw/zinc/69/08/37/829690837.db2.gz DBXDFWMBANHZOA-STQMWFEESA-N 2 0 334.486 -0.781 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCNC(=O)NC(C)(C)C ZINC001133869886 829690883 /nfs/dbraw/zinc/69/08/83/829690883.db2.gz NFXMXTXPYQGVEK-CHWSQXEVSA-N 2 0 327.473 -0.012 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1nncs1 ZINC001133870715 829691483 /nfs/dbraw/zinc/69/14/83/829691483.db2.gz VQMCFWLXBXATRM-NXEZZACHSA-N 2 0 326.426 -0.620 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133893738 829694982 /nfs/dbraw/zinc/69/49/82/829694982.db2.gz OCJOEXUYGGBJRM-UHFFFAOYSA-N 2 0 341.456 -0.340 20 0 EBADRP C[C@@H](COCC(=O)NCC[NH2+]CC(=O)N1CCC1)[NH+]1CCCC1 ZINC001134054241 829718433 /nfs/dbraw/zinc/71/84/33/829718433.db2.gz BRCFQCCQMCDXKN-AWEZNQCLSA-N 2 0 326.441 -0.575 20 0 EBADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)C(=O)NC(N)=O ZINC001211093396 837387784 /nfs/dbraw/zinc/38/77/84/837387784.db2.gz WXCFQLTUMFGKOX-RYUDHWBXSA-N 2 0 325.413 -0.754 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)C1([NH+](C)C)CCC1)[NH2+]CCNS(C)(=O)=O ZINC001134582909 829797203 /nfs/dbraw/zinc/79/72/03/829797203.db2.gz BIJJQZFJTATMNK-OLZOCXBDSA-N 2 0 348.513 -0.107 20 0 EBADRP C[C@@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)[NH+]1CCCCCC1 ZINC001134759184 829839930 /nfs/dbraw/zinc/83/99/30/829839930.db2.gz HJBOWXWAHSLTSJ-ZDUSSCGKSA-N 2 0 339.440 -0.492 20 0 EBADRP C[C@H](C(=O)NCC[NH2+]CCN1CCNC1=O)[NH+]1CCCCCC1 ZINC001134757210 829840374 /nfs/dbraw/zinc/84/03/74/829840374.db2.gz MIIIPAVYMXBKSM-CQSZACIVSA-N 2 0 325.457 -0.018 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001134766703 829841769 /nfs/dbraw/zinc/84/17/69/829841769.db2.gz LKBOLEIGAUHRLW-CVEARBPZSA-N 2 0 345.484 -0.021 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001134767497 829841899 /nfs/dbraw/zinc/84/18/99/829841899.db2.gz ZHSZXWCSXNIPPT-OLZOCXBDSA-N 2 0 341.456 -0.201 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001134780811 829844641 /nfs/dbraw/zinc/84/46/41/829844641.db2.gz XHABYXVYEZAJOZ-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780559 829845235 /nfs/dbraw/zinc/84/52/35/829845235.db2.gz LRDIOXOZGDYSOX-GDBMZVCRSA-N 2 0 345.484 -0.164 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135103037 829898043 /nfs/dbraw/zinc/89/80/43/829898043.db2.gz SOADOFCQOCYIHF-UONOGXRCSA-N 2 0 346.497 -0.352 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1)C(=O)NC1CC1 ZINC001135118452 829900044 /nfs/dbraw/zinc/90/00/44/829900044.db2.gz NQIYUZHHHJMEBR-GFCCVEGCSA-N 2 0 336.440 -0.569 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NCC[NH2+]CC(=O)NCC2CC2)cn1 ZINC001135115216 829900270 /nfs/dbraw/zinc/90/02/70/829900270.db2.gz XZLNXGJMIJCPBM-UHFFFAOYSA-N 2 0 336.440 -0.710 20 0 EBADRP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135114825 829900420 /nfs/dbraw/zinc/90/04/20/829900420.db2.gz PHLBYKGHYGKWQU-CYBMUJFWSA-N 2 0 338.456 -0.321 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135297849 829941345 /nfs/dbraw/zinc/94/13/45/829941345.db2.gz IDUQPNWXVLPVGF-NWDGAFQWSA-N 2 0 341.456 -0.343 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(=O)NC(N)=O ZINC001135298453 829941482 /nfs/dbraw/zinc/94/14/82/829941482.db2.gz MRYFGZREXSHMJH-MNOVXSKESA-N 2 0 327.429 -0.604 20 0 EBADRP C[NH+](C)Cc1ccc(C(=O)NCC[NH2+]CC(=O)N2CCOCC2)cc1 ZINC001135340565 829947995 /nfs/dbraw/zinc/94/79/95/829947995.db2.gz CVWPACCNVIHWFL-UHFFFAOYSA-N 2 0 348.447 -0.074 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135371170 829955400 /nfs/dbraw/zinc/95/54/00/829955400.db2.gz DPDBMMYVTVFCBS-NEPJUHHUSA-N 2 0 329.445 -0.343 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CCN(C)S(C)(=O)=O)NC(=O)CC[NH+](C)C ZINC001135371478 829955803 /nfs/dbraw/zinc/95/58/03/829955803.db2.gz GDBOAQMHLFVREI-QWHCGFSZSA-N 2 0 336.502 -0.298 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)CC[NH+](C)C ZINC001135373632 829956383 /nfs/dbraw/zinc/95/63/83/829956383.db2.gz XPSFDFLRXQNMRM-RYUDHWBXSA-N 2 0 341.456 -0.201 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135390564 829961023 /nfs/dbraw/zinc/96/10/23/829961023.db2.gz LFFLQNGRRDIHCQ-NEPJUHHUSA-N 2 0 341.456 -0.343 20 0 EBADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)C(C)C ZINC001135474382 829973183 /nfs/dbraw/zinc/97/31/83/829973183.db2.gz OTYKYPXEBGGWQF-ZDUSSCGKSA-N 2 0 336.502 -0.392 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O ZINC001135513721 829980216 /nfs/dbraw/zinc/98/02/16/829980216.db2.gz WGATZOBPUXVJMU-ZDUSSCGKSA-N 2 0 336.440 -0.427 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135706777 830014374 /nfs/dbraw/zinc/01/43/74/830014374.db2.gz DJAYUIYVWVPPOK-CYBMUJFWSA-N 2 0 341.456 -0.342 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001135861381 830035287 /nfs/dbraw/zinc/03/52/87/830035287.db2.gz PYJFBVWLPNRMRI-STQMWFEESA-N 2 0 336.502 -0.250 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001135861037 830035821 /nfs/dbraw/zinc/03/58/21/830035821.db2.gz LJVVCMZITZQKBO-STQMWFEESA-N 2 0 341.456 -0.247 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]Cc1cn(C)nn1)NC(=O)COCC[NH+](C)C ZINC001135923121 830046416 /nfs/dbraw/zinc/04/64/16/830046416.db2.gz HJHDOEAWGXCUDC-CHWSQXEVSA-N 2 0 326.445 -0.234 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)COCC[NH+](C)C)[NH2+]Cc1ncnn1C ZINC001135923050 830046950 /nfs/dbraw/zinc/04/69/50/830046950.db2.gz GKLGJPWLNKCTQE-OLZOCXBDSA-N 2 0 326.445 -0.234 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CCS(C)(=O)=O)NC(=O)COCC[NH+](C)C ZINC001135924631 830047433 /nfs/dbraw/zinc/04/74/33/830047433.db2.gz ULJIDWRPWQDZLB-QWHCGFSZSA-N 2 0 337.486 -0.518 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]Cc1nncn1C)NC(=O)COCC[NH+](C)C ZINC001135924083 830047478 /nfs/dbraw/zinc/04/74/78/830047478.db2.gz PZTBDEVMHAPSDJ-QWHCGFSZSA-N 2 0 326.445 -0.234 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938565 830048986 /nfs/dbraw/zinc/04/89/86/830048986.db2.gz LIJJPTRERCCYQT-VXGBXAGGSA-N 2 0 339.440 -0.589 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938563 830048993 /nfs/dbraw/zinc/04/89/93/830048993.db2.gz LIJJPTRERCCYQT-NWDGAFQWSA-N 2 0 339.440 -0.589 20 0 EBADRP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135959018 830052457 /nfs/dbraw/zinc/05/24/57/830052457.db2.gz IZRRISYORGXSGB-ZDUSSCGKSA-N 2 0 328.457 -0.282 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]CCOC[C@@H]2CCCO2)CC1 ZINC001135963456 830053269 /nfs/dbraw/zinc/05/32/69/830053269.db2.gz NMFPVXZIUAWVKU-INIZCTEOSA-N 2 0 343.468 -0.001 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001135979939 830056797 /nfs/dbraw/zinc/05/67/97/830056797.db2.gz KHXAFDRFKIFOSX-NWDGAFQWSA-N 2 0 329.445 -0.343 20 0 EBADRP COCCOC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211286143 837421272 /nfs/dbraw/zinc/42/12/72/837421272.db2.gz TYMBHHTYJWWBNC-JKSUJKDBSA-N 2 0 345.484 -0.069 20 0 EBADRP CN(CC(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1)C(N)=[NH2+] ZINC001144132535 830159478 /nfs/dbraw/zinc/15/94/78/830159478.db2.gz VQIYTOAQGAXGRK-HUUCEWRRSA-N 2 0 346.435 -0.291 20 0 EBADRP CN(CC(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1)C(N)=[NH2+] ZINC001144132534 830159777 /nfs/dbraw/zinc/15/97/77/830159777.db2.gz VQIYTOAQGAXGRK-GJZGRUSLSA-N 2 0 346.435 -0.291 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CC(=O)N1CCOCC1)NC(=O)C[NH+]1CCCC1 ZINC001146340463 830193151 /nfs/dbraw/zinc/19/31/51/830193151.db2.gz QDZPBYYQAWDABL-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001211367412 837433250 /nfs/dbraw/zinc/43/32/50/837433250.db2.gz TXGOAMPOAFXCSV-ZIAGYGMSSA-N 2 0 338.452 -0.088 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001146705097 830221299 /nfs/dbraw/zinc/22/12/99/830221299.db2.gz KRSJDTHJXZSZPE-LLVKDONJSA-N 2 0 329.363 -0.026 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001147573248 830365451 /nfs/dbraw/zinc/36/54/51/830365451.db2.gz ZCMYZBCKPWBPHH-CVEARBPZSA-N 2 0 337.464 -0.130 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CCOCCO)C3)CC[N@@H+]1C ZINC001147583232 830366793 /nfs/dbraw/zinc/36/67/93/830366793.db2.gz OXPGEQGMQUGZIA-HUUCEWRRSA-N 2 0 325.453 -0.130 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147833682 830417312 /nfs/dbraw/zinc/41/73/12/830417312.db2.gz AEUMGYPBJVRRJA-HZPDHXFCSA-N 2 0 342.484 -0.035 20 0 EBADRP C[C@@H]1CCCN(C(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C)C1 ZINC001147842125 830418676 /nfs/dbraw/zinc/41/86/76/830418676.db2.gz OBUKTDDYKVCAEO-CQSZACIVSA-N 2 0 328.457 -0.471 20 0 EBADRP CC1CCN(C(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C)CC1 ZINC001147842349 830419704 /nfs/dbraw/zinc/41/97/04/830419704.db2.gz TYARJNYPPBTUNX-UHFFFAOYSA-N 2 0 328.457 -0.471 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC(=O)NCCC(C)(C)C ZINC001147848856 830421198 /nfs/dbraw/zinc/42/11/98/830421198.db2.gz XQSFUDHWNNJJPK-UHFFFAOYSA-N 2 0 330.473 -0.177 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001147892510 830426969 /nfs/dbraw/zinc/42/69/69/830426969.db2.gz IYLWZSYYDNJNQC-UHFFFAOYSA-N 2 0 341.460 -0.745 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C(=O)N1CCCCC1 ZINC001147893818 830427056 /nfs/dbraw/zinc/42/70/56/830427056.db2.gz UOTPZZRSZQEPSW-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CCCCCn1cncn1 ZINC001147893979 830427085 /nfs/dbraw/zinc/42/70/85/830427085.db2.gz WJYPQXPXCPFAMU-UHFFFAOYSA-N 2 0 326.445 -0.268 20 0 EBADRP Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)C[C@H]3CC[N@H+](C)C3)C2=O)cn1 ZINC001147892573 830427219 /nfs/dbraw/zinc/42/72/19/830427219.db2.gz KEIFJLOYBCNJBZ-UKRRQHHQSA-N 2 0 348.451 -0.427 20 0 EBADRP CC(C)CCNC(=O)[C@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147893967 830427377 /nfs/dbraw/zinc/42/73/77/830427377.db2.gz WFBSOUICKPCIIE-AWEZNQCLSA-N 2 0 330.473 -0.179 20 0 EBADRP CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001148000251 830436345 /nfs/dbraw/zinc/43/63/45/830436345.db2.gz MEMCCPMRIAZKJG-UHFFFAOYSA-N 2 0 337.424 -0.882 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001148051556 830444454 /nfs/dbraw/zinc/44/44/54/830444454.db2.gz OEWIQWRRZXKFRT-GFCCVEGCSA-N 2 0 340.449 -0.098 20 0 EBADRP C[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001148216315 830457651 /nfs/dbraw/zinc/45/76/51/830457651.db2.gz MXCCHYGVYFKYSN-AWEZNQCLSA-N 2 0 343.493 -0.093 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001148292753 830466123 /nfs/dbraw/zinc/46/61/23/830466123.db2.gz SDFAVDLFZYYOST-GJZGRUSLSA-N 2 0 325.453 -0.130 20 0 EBADRP C[NH+](C)CCCCC(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001148360409 830475904 /nfs/dbraw/zinc/47/59/04/830475904.db2.gz SYZGMUHRMZYGAZ-CQSZACIVSA-N 2 0 348.513 -0.294 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC2(C1)CC[N@@H+]([C@H]1CCCNC1=O)C2 ZINC001148604538 830514784 /nfs/dbraw/zinc/51/47/84/830514784.db2.gz IEWTYSYLCMVOSE-AWEZNQCLSA-N 2 0 338.452 -0.623 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001148643219 830522641 /nfs/dbraw/zinc/52/26/41/830522641.db2.gz VGSPIVPDPJRYCN-CYBMUJFWSA-N 2 0 334.486 -0.685 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001148654848 830524458 /nfs/dbraw/zinc/52/44/58/830524458.db2.gz BYRGNXFJNLFZOE-OKILXGFUSA-N 2 0 328.457 -0.330 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149848039 830763025 /nfs/dbraw/zinc/76/30/25/830763025.db2.gz IHVVHPCJFCQIHN-CABCVRRESA-N 2 0 343.468 -0.315 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001149881604 830774452 /nfs/dbraw/zinc/77/44/52/830774452.db2.gz PILSDJJARFWVTQ-OAGGEKHMSA-N 2 0 345.484 -0.213 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001149881603 830774887 /nfs/dbraw/zinc/77/48/87/830774887.db2.gz PILSDJJARFWVTQ-JYJNAYRXSA-N 2 0 345.484 -0.213 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150193065 830835020 /nfs/dbraw/zinc/83/50/20/830835020.db2.gz LIVIPFRKVWDSSV-HUUCEWRRSA-N 2 0 331.457 -0.457 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001150219276 830842341 /nfs/dbraw/zinc/84/23/41/830842341.db2.gz NUEDBTZBFQXHDZ-HZPDHXFCSA-N 2 0 343.468 -0.457 20 0 EBADRP COCC[N@@H+]1CCCO[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001150508202 830918976 /nfs/dbraw/zinc/91/89/76/830918976.db2.gz PMQCZIRJRSHURU-MRXNPFEDSA-N 2 0 343.468 -0.049 20 0 EBADRP O=C(NC[C@@H]1C[N@H+](CCOCCO)CCCO1)C12CC[NH+](CC1)C2 ZINC001150588334 830938563 /nfs/dbraw/zinc/93/85/63/830938563.db2.gz OAOPRVQUGNCBOO-OAHLLOKOSA-N 2 0 341.452 -0.702 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001150589887 830940138 /nfs/dbraw/zinc/94/01/38/830940138.db2.gz XEEPYFFVCRFAHM-CABCVRRESA-N 2 0 341.452 -0.703 20 0 EBADRP Cc1nn(C)c(C)c1NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151065466 831020770 /nfs/dbraw/zinc/02/07/70/831020770.db2.gz JWIGOXSLXGBDGH-ZDUSSCGKSA-N 2 0 336.440 -0.367 20 0 EBADRP COc1ccc(CNC(=O)C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001151065224 831020977 /nfs/dbraw/zinc/02/09/77/831020977.db2.gz IOODNXSVIDRXKJ-OAHLLOKOSA-N 2 0 348.447 -0.031 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COCc2ccco2)C1 ZINC001151064694 831021313 /nfs/dbraw/zinc/02/13/13/831021313.db2.gz DEBXQWVTVAQPMS-ZIAGYGMSSA-N 2 0 325.409 -0.185 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(=O)NC1CC1 ZINC001151073921 831022627 /nfs/dbraw/zinc/02/26/27/831022627.db2.gz SNJZANXKEOFSPS-MNOVXSKESA-N 2 0 325.413 -0.979 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151106779 831025735 /nfs/dbraw/zinc/02/57/35/831025735.db2.gz HFKGNPYXVPAENO-LBPRGKRZSA-N 2 0 327.429 -0.589 20 0 EBADRP Cn1ccc(N2CCC[C@@H]([NH2+]CCNC(=O)C[NH+]3CCCC3)C2=O)n1 ZINC001151101029 831026579 /nfs/dbraw/zinc/02/65/79/831026579.db2.gz JBBLQFHBIXYCAV-CQSZACIVSA-N 2 0 348.451 -0.283 20 0 EBADRP Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)n1 ZINC001151156337 831032697 /nfs/dbraw/zinc/03/26/97/831032697.db2.gz AMGDKSVAHYBGRP-ZDUSSCGKSA-N 2 0 338.456 -0.431 20 0 EBADRP CCC(CC)NC(=O)C[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151156345 831033143 /nfs/dbraw/zinc/03/31/43/831033143.db2.gz APMSMAYDHKMZJY-CQSZACIVSA-N 2 0 342.484 -0.035 20 0 EBADRP COc1ccc(C[NH2+]CCNC(=O)[C@H](C)C[NH+]2CCOCC2)nn1 ZINC001151158592 831034360 /nfs/dbraw/zinc/03/43/60/831034360.db2.gz PQUKXGWRXISIFJ-CYBMUJFWSA-N 2 0 337.424 -0.341 20 0 EBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151159386 831035885 /nfs/dbraw/zinc/03/58/85/831035885.db2.gz SRIQHWZTFFEVDP-CQSZACIVSA-N 2 0 328.457 -0.471 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001151159920 831036178 /nfs/dbraw/zinc/03/61/78/831036178.db2.gz VLHKWGWXXMRNHU-UONOGXRCSA-N 2 0 349.497 -0.659 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001152145898 831133729 /nfs/dbraw/zinc/13/37/29/831133729.db2.gz FXCTXGOEDJRQLJ-OKILXGFUSA-N 2 0 328.457 -0.282 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152471316 831165269 /nfs/dbraw/zinc/16/52/69/831165269.db2.gz LCXQRZNRDGFHJO-MRXNPFEDSA-N 2 0 342.484 -0.035 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CCN1CCNC1=O)[NH+]1CCCC1 ZINC001152479986 831166722 /nfs/dbraw/zinc/16/67/22/831166722.db2.gz KZXOSWDMWMFJRD-AWEZNQCLSA-N 2 0 325.457 -0.162 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCOCC1)[NH+]1CCCC1 ZINC001152473552 831166780 /nfs/dbraw/zinc/16/67/80/831166780.db2.gz WMSYLZJPQNZLOY-INIZCTEOSA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001155789915 831430090 /nfs/dbraw/zinc/43/00/90/831430090.db2.gz HRHMPOONJSBFHF-KBPBESRZSA-N 2 0 326.441 -0.528 20 0 EBADRP Cn1cc(N2CC[C@H]([NH2+]CCCNC(=O)[C@H]3CCC[N@@H+]3C)C2=O)cn1 ZINC001155813565 831432072 /nfs/dbraw/zinc/43/20/72/831432072.db2.gz SDKXHADAXUCSJW-LSDHHAIUSA-N 2 0 348.451 -0.285 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2C)n(C)n1 ZINC001155822166 831433373 /nfs/dbraw/zinc/43/33/73/831433373.db2.gz KAOOUERNYWZBRI-ZDUSSCGKSA-N 2 0 336.440 -0.143 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)COCCOCC[NH3+])C(=O)N1CCCC1 ZINC001157371161 831562360 /nfs/dbraw/zinc/56/23/60/831562360.db2.gz PSDUXBCACXHYEC-AWEZNQCLSA-N 2 0 344.456 -0.786 20 0 EBADRP CO[C@H]1CC[NH2+][C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)C1 ZINC001157386869 831563180 /nfs/dbraw/zinc/56/31/80/831563180.db2.gz RBLSPXQBEDXBJQ-KKUMJFAQSA-N 2 0 340.468 -0.010 20 0 EBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC001157591237 831581076 /nfs/dbraw/zinc/58/10/76/831581076.db2.gz IQWRQIOAVKMIPU-MJBXVCDLSA-N 2 0 328.416 -0.397 20 0 EBADRP CC1([NH3+])CN(C(=O)[C@H]([NH3+])CSCNC(=O)Cc2ccccc2)C1 ZINC001157644764 831583372 /nfs/dbraw/zinc/58/33/72/831583372.db2.gz YENIFAWZXGAUGI-CYBMUJFWSA-N 2 0 336.461 -0.077 20 0 EBADRP CSCC[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CC(C)([NH3+])C1 ZINC001157652132 831583878 /nfs/dbraw/zinc/58/38/78/831583878.db2.gz WNZPFBXKLYATMR-QWRGUYRKSA-N 2 0 348.538 -0.136 20 0 EBADRP C[NH+](C)C1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001157688831 831585820 /nfs/dbraw/zinc/58/58/20/831585820.db2.gz KINCBZJGRUCDQI-KBPBESRZSA-N 3 0 325.457 -0.794 20 0 EBADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001157715642 831587357 /nfs/dbraw/zinc/58/73/57/831587357.db2.gz HSMKYFXRUXJZDV-KGLIPLIRSA-N 2 0 333.436 -0.419 20 0 EBADRP CCOC(=O)[C@@H]1CNCCN1C(=O)[C@H]1C[N@@H+](C(C)(C)C)CCN1 ZINC001158005943 831618769 /nfs/dbraw/zinc/61/87/69/831618769.db2.gz FTHLTPWGSGQUDA-OLZOCXBDSA-N 2 0 326.441 -0.578 20 0 EBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158032226 831620556 /nfs/dbraw/zinc/62/05/56/831620556.db2.gz RTTIOERVXOCSGD-GRDNDAEWSA-N 2 0 340.468 -0.417 20 0 EBADRP [NH3+][C@H](CC(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)Cc1cccs1 ZINC001158111819 831628874 /nfs/dbraw/zinc/62/88/74/831628874.db2.gz ROEMQJRSZCLEIL-SJCJKPOMSA-N 2 0 348.472 -0.054 20 0 EBADRP O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158111236 831629287 /nfs/dbraw/zinc/62/92/87/831629287.db2.gz LWJZZMOZLWAGET-RULNRJAQSA-N 2 0 346.353 -0.678 20 0 EBADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001158179772 831636772 /nfs/dbraw/zinc/63/67/72/831636772.db2.gz ODPFQGOIPGPRMP-QLFBSQMISA-N 2 0 332.404 -0.898 20 0 EBADRP CN(CC(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC001158276630 831643117 /nfs/dbraw/zinc/64/31/17/831643117.db2.gz BJNJYYYOBOFLDS-CQSZACIVSA-N 2 0 347.467 -0.617 20 0 EBADRP O=C([C@@H]1C[NH2+]C[C@H]2CCO[C@@H]21)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277950 831643122 /nfs/dbraw/zinc/64/31/22/831643122.db2.gz YNUCPJYEDRTXGZ-NFAWXSAZSA-N 2 0 346.435 -0.677 20 0 EBADRP O=C([C@@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158305941 831645226 /nfs/dbraw/zinc/64/52/26/831645226.db2.gz MFBGSYLJKHFBAU-VZBWRMENSA-N 2 0 326.400 -0.084 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCO[C@H](C)C2)CC[N@@H+]1C ZINC001158381200 831650236 /nfs/dbraw/zinc/65/02/36/831650236.db2.gz ZTIIYKHXHPJZKM-RBSFLKMASA-N 2 0 340.468 -0.330 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)CC[N@@H+]1C ZINC001158412628 831652255 /nfs/dbraw/zinc/65/22/55/831652255.db2.gz RZWGHDFVJLMZEW-GRYCIOLGSA-N 2 0 327.429 -0.604 20 0 EBADRP CN(C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC1 ZINC001158487318 831659975 /nfs/dbraw/zinc/65/99/75/831659975.db2.gz XYRQLTAIBYJNQK-CABCVRRESA-N 2 0 338.452 -0.434 20 0 EBADRP CCN(CC)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158486625 831660048 /nfs/dbraw/zinc/66/00/48/831660048.db2.gz PTEROGGKIIYRDN-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC001158507209 831661923 /nfs/dbraw/zinc/66/19/23/831661923.db2.gz VIBKPUYNLOAMFB-TVYUQYBPSA-N 2 0 333.392 -0.579 20 0 EBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158533526 831662864 /nfs/dbraw/zinc/66/28/64/831662864.db2.gz NHLPFOTWJPINGH-JTOWHCCKSA-N 3 0 334.464 -0.160 20 0 EBADRP O=C(NCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC1 ZINC001158509159 831663385 /nfs/dbraw/zinc/66/33/85/831663385.db2.gz ZTNGPFGIPFFNFX-HUUCEWRRSA-N 2 0 338.452 -0.528 20 0 EBADRP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C34C[NH2+]C4)C[C@H]2CF)CC1 ZINC001158567703 831666621 /nfs/dbraw/zinc/66/66/21/831666621.db2.gz KHVRJZNUVVXQRV-IJLUTSLNSA-N 2 0 345.440 -0.702 20 0 EBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158576253 831667091 /nfs/dbraw/zinc/66/70/91/831667091.db2.gz AVBGNSPNVBSVPI-UTUOFQBUSA-N 2 0 332.445 -0.324 20 0 EBADRP CCn1nnc2c1[C@H](COC)CN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001158791664 831686345 /nfs/dbraw/zinc/68/63/45/831686345.db2.gz ZGWRBBBDHNBDMO-NWDGAFQWSA-N 2 0 334.424 -0.821 20 0 EBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158900206 831694841 /nfs/dbraw/zinc/69/48/41/831694841.db2.gz ASWGQUCMPJKZJF-CXUUEIJPSA-N 2 0 349.410 -0.379 20 0 EBADRP N[C@]1(C(=O)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)CCC[NH2+]C1 ZINC001159158075 831713453 /nfs/dbraw/zinc/71/34/53/831713453.db2.gz LIULLAAJZRDBRV-GOSISDBHSA-N 2 0 346.479 -0.056 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001159327398 831740362 /nfs/dbraw/zinc/74/03/62/831740362.db2.gz ISGCUGWLQDNTQV-HNNXBMFYSA-N 2 0 340.468 -0.185 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCNS(=O)(=O)CC ZINC001159335329 831741025 /nfs/dbraw/zinc/74/10/25/831741025.db2.gz YIDXBZCSBPKPPU-CQSZACIVSA-N 2 0 348.513 -0.104 20 0 EBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159402837 831749727 /nfs/dbraw/zinc/74/97/27/831749727.db2.gz KOIZXRVOKVSCGE-YYFQZIEXSA-N 2 0 347.419 -0.843 20 0 EBADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@]1(N)CC[NH2+]C1)C2 ZINC001159482152 831755632 /nfs/dbraw/zinc/75/56/32/831755632.db2.gz ZHTVFTBRMIVDMO-NXHRZFHOSA-N 2 0 336.480 -0.116 20 0 EBADRP O=C([C@H]1C[NH2+]CCN1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159560751 831761144 /nfs/dbraw/zinc/76/11/44/831761144.db2.gz NGGSALUCKOIVDU-OAHLLOKOSA-N 2 0 332.452 -0.181 20 0 EBADRP O=C([C@H]1C[NH2+]CCN1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159666003 831769860 /nfs/dbraw/zinc/76/98/60/831769860.db2.gz NPOKSLZBMVIOIY-YESZJQIVSA-N 2 0 345.447 -0.555 20 0 EBADRP N[C@]1(C(=O)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)CC[NH2+]C1 ZINC001159666275 831770118 /nfs/dbraw/zinc/77/01/18/831770118.db2.gz PZESEGDGRFWANR-JFIYKMOQSA-N 2 0 345.447 -0.426 20 0 EBADRP [NH3+]CCNCC(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666012 831770212 /nfs/dbraw/zinc/77/02/12/831770212.db2.gz NSSBHOOSALJPKJ-HZPDHXFCSA-N 2 0 333.436 -0.568 20 0 EBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159664424 831770372 /nfs/dbraw/zinc/77/03/72/831770372.db2.gz DPAFOXIHNXYLMZ-YVSFHVDLSA-N 2 0 345.447 -0.570 20 0 EBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159665308 831770698 /nfs/dbraw/zinc/77/06/98/831770698.db2.gz JGIKDLZZMTTZGT-WCXIOVBPSA-N 2 0 346.431 -0.394 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159667134 831771041 /nfs/dbraw/zinc/77/10/41/831771041.db2.gz SSZDKODIQXXCLR-ZACQAIPSSA-N 3 0 347.463 -0.051 20 0 EBADRP N[C@]1(C(=O)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)CC[NH2+]C1 ZINC001159666278 831771227 /nfs/dbraw/zinc/77/12/27/831771227.db2.gz PZESEGDGRFWANR-XYJFISCASA-N 2 0 345.447 -0.426 20 0 EBADRP [NH3+]C[C@H](O)CC(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159668585 831772187 /nfs/dbraw/zinc/77/21/87/831772187.db2.gz YNDJLNKBQVNBGX-ARFHVFGLSA-N 2 0 334.420 -0.407 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001159755262 831779301 /nfs/dbraw/zinc/77/93/01/831779301.db2.gz ODOWDTHZHLZOOE-ZIAGYGMSSA-N 2 0 347.419 -0.310 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001159800762 831784129 /nfs/dbraw/zinc/78/41/29/831784129.db2.gz YBURZUUCELGJCR-KBPBESRZSA-N 2 0 331.424 -0.196 20 0 EBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001159837841 831787416 /nfs/dbraw/zinc/78/74/16/831787416.db2.gz GYCOYPCYFMZIAU-CYBMUJFWSA-N 2 0 338.456 -0.318 20 0 EBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001159847191 831788250 /nfs/dbraw/zinc/78/82/50/831788250.db2.gz UTJCMURNQFFIDB-QWHCGFSZSA-N 2 0 341.456 -0.356 20 0 EBADRP COCCCNC(=O)C[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159854246 831788822 /nfs/dbraw/zinc/78/88/22/831788822.db2.gz NWQVUTPFRMMHOD-UHFFFAOYSA-N 2 0 328.457 -0.281 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001159874609 831791332 /nfs/dbraw/zinc/79/13/32/831791332.db2.gz UIVHVMCHDZSCNU-RHSMWYFYSA-N 2 0 348.451 -0.259 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1)C1CC1 ZINC001159915228 831796601 /nfs/dbraw/zinc/79/66/01/831796601.db2.gz HUEGWIQKOLSPML-HOCLYGCPSA-N 2 0 340.468 -0.282 20 0 EBADRP COCCCNC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159914551 831796736 /nfs/dbraw/zinc/79/67/36/831796736.db2.gz DVRMNTIONCEBIV-HNNXBMFYSA-N 2 0 328.457 -0.425 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1)C1CC1 ZINC001159915227 831797306 /nfs/dbraw/zinc/79/73/06/831797306.db2.gz HUEGWIQKOLSPML-GOEBONIOSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001159929728 831797560 /nfs/dbraw/zinc/79/75/60/831797560.db2.gz KSLNNHLHTBRTNI-KYHPRHEASA-N 3 0 335.496 -0.578 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1)C1CC1 ZINC001159933047 831799536 /nfs/dbraw/zinc/79/95/36/831799536.db2.gz YNSIXNOGOBCSAQ-BBRMVZONSA-N 2 0 340.468 -0.425 20 0 EBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCc2onc(Cn3cccn3)c2C1 ZINC001160129307 831817450 /nfs/dbraw/zinc/81/74/50/831817450.db2.gz UWGIROONAYGAEJ-CYBMUJFWSA-N 2 0 342.403 -0.387 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001160272506 831830399 /nfs/dbraw/zinc/83/03/99/831830399.db2.gz BSBKWWCNUQSQNM-AWEZNQCLSA-N 2 0 348.513 -0.104 20 0 EBADRP CC(=O)NCc1ncn2c1CN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)CCC2 ZINC001160324431 831838066 /nfs/dbraw/zinc/83/80/66/831838066.db2.gz VKASFIOWNVJNMW-INIZCTEOSA-N 2 0 348.451 -0.422 20 0 EBADRP O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001160411758 831845870 /nfs/dbraw/zinc/84/58/70/831845870.db2.gz HAKOGSLRRNHTMN-RDBSUJKOSA-N 2 0 344.415 -0.239 20 0 EBADRP CCOC(=O)[C@@H]1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CCC1=O ZINC001160428375 831848100 /nfs/dbraw/zinc/84/81/00/831848100.db2.gz SWBITZJUVNLKTO-MNOVXSKESA-N 2 0 331.438 -0.624 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160425991 831849011 /nfs/dbraw/zinc/84/90/11/831849011.db2.gz BVWQNZAVTMXZLV-GJZGRUSLSA-N 2 0 333.473 -0.308 20 0 EBADRP CC(C)NC(=O)CN1CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001160484737 831855533 /nfs/dbraw/zinc/85/55/33/831855533.db2.gz BEYKCWYYFBZEFT-AWEZNQCLSA-N 2 0 327.473 -0.498 20 0 EBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CC2(C1)CN(c1ccccc1)C2=O ZINC001160573909 831865272 /nfs/dbraw/zinc/86/52/72/831865272.db2.gz XYFOKNYXBLOPPX-CQSZACIVSA-N 2 0 326.400 -0.329 20 0 EBADRP CCOC(=O)[C@@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCO1 ZINC001160597242 831869104 /nfs/dbraw/zinc/86/91/04/831869104.db2.gz RCXADDJDHZYXDE-OLZOCXBDSA-N 2 0 325.409 -0.349 20 0 EBADRP Cc1ccnc(N2CCN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)CC2)c1 ZINC001160604333 831870217 /nfs/dbraw/zinc/87/02/17/831870217.db2.gz ALZWYDLDJFBWMC-MRXNPFEDSA-N 2 0 346.479 -0.211 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160630141 831872122 /nfs/dbraw/zinc/87/21/22/831872122.db2.gz WIJUHLYPRQVHFW-AWEZNQCLSA-N 3 0 333.546 -0.262 20 0 EBADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C[C@@H]1F ZINC001160650178 831875893 /nfs/dbraw/zinc/87/58/93/831875893.db2.gz SNUZMNVNSTWDDV-SDDRHHMPSA-N 2 0 333.429 -0.702 20 0 EBADRP [NH3+][C@@H]1CCN(C(=O)c2ccc3ccc(N4CC[NH2+]CC4)n3c2)C[C@H]1O ZINC001160655488 831876427 /nfs/dbraw/zinc/87/64/27/831876427.db2.gz NTNISBGQSPPMHS-HZPDHXFCSA-N 2 0 343.431 -0.117 20 0 EBADRP [NH3+][C@@H]1CCN(C(=O)c2ccc3c(c2)[C@H]2C[NH2+]C[C@H]2NC3=O)C[C@H]1O ZINC001160655136 831876785 /nfs/dbraw/zinc/87/67/85/831876785.db2.gz HDHHLHSMKKAOGW-KBUPBQIOSA-N 2 0 330.388 -0.981 20 0 EBADRP O=C(N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001160779939 831885908 /nfs/dbraw/zinc/88/59/08/831885908.db2.gz LMBDSDFIDFABKW-ZAWLATJESA-N 2 0 326.444 -0.063 20 0 EBADRP CCOC(=O)[C@@H]1c2nc[nH]c2CCN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160789730 831886486 /nfs/dbraw/zinc/88/64/86/831886486.db2.gz YXPRRMCMCJHTMJ-CABZTGNLSA-N 2 0 341.437 -0.582 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)c3noc4c3C[NH2+]CC4)C[C@H]1C[NH2+]CC2 ZINC001160819337 831890260 /nfs/dbraw/zinc/89/02/60/831890260.db2.gz MCUXQTZIRDZYGS-PIGZYNQJSA-N 2 0 348.403 -0.065 20 0 EBADRP CC[C@H](C(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O)[NH+](C)C ZINC001160883498 831903230 /nfs/dbraw/zinc/90/32/30/831903230.db2.gz OXXATYYKXKRZQS-UONOGXRCSA-N 2 0 328.457 -0.594 20 0 EBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001160951336 831909124 /nfs/dbraw/zinc/90/91/24/831909124.db2.gz HJISAMCRZGCEEK-AWEZNQCLSA-N 2 0 331.457 -0.552 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001160951139 831909537 /nfs/dbraw/zinc/90/95/37/831909537.db2.gz FYMGWXAGDAXHHZ-ZDUSSCGKSA-N 2 0 328.457 -0.425 20 0 EBADRP [NH3+][C@H]1CN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)CC(F)(F)C1 ZINC001160967131 831911164 /nfs/dbraw/zinc/91/11/64/831911164.db2.gz JASGGRLDNTYILB-ZJUUUORDSA-N 2 0 341.366 -0.881 20 0 EBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161009339 831913382 /nfs/dbraw/zinc/91/33/82/831913382.db2.gz UTKYVGIRKQQXKJ-KBPBESRZSA-N 2 0 326.441 -0.665 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161009705 831913659 /nfs/dbraw/zinc/91/36/59/831913659.db2.gz WYVNBJUDELZHLM-UPJWGTAASA-N 2 0 325.409 -0.900 20 0 EBADRP CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161065242 831919529 /nfs/dbraw/zinc/91/95/29/831919529.db2.gz VWRKTJNVBZUJJY-AVGNSLFASA-N 2 0 328.457 -0.027 20 0 EBADRP C[C@]([NH3+])(CO)C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196891 831936440 /nfs/dbraw/zinc/93/64/40/831936440.db2.gz UQHDWCJLUKVIDT-KRWDZBQOSA-N 2 0 342.484 -0.753 20 0 EBADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@@H]2C[NH2+]C[C@]23C(=O)Nc2ccccc23)C1 ZINC001161239880 831940413 /nfs/dbraw/zinc/94/04/13/831940413.db2.gz SSOFUUNCZHROHQ-JCURWCKSSA-N 2 0 332.379 -0.005 20 0 EBADRP Cc1ccnc(N2CCN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)CC2)n1 ZINC001161299576 831946249 /nfs/dbraw/zinc/94/62/49/831946249.db2.gz XNSQYIHXLKIRRF-RHSMWYFYSA-N 2 0 330.436 -0.367 20 0 EBADRP COc1cc(C)nc(N(C(=O)CNCCC[NH3+])C2CC[NH2+]CC2)n1 ZINC001161309506 831947059 /nfs/dbraw/zinc/94/70/59/831947059.db2.gz RFGZMUIBHDQXTD-UHFFFAOYSA-N 2 0 336.440 -0.183 20 0 EBADRP Cc1c[nH+]ccc1N1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001161310154 831947341 /nfs/dbraw/zinc/94/73/41/831947341.db2.gz ZBSDHMSXYABLDK-INIZCTEOSA-N 3 0 346.479 -0.211 20 0 EBADRP Cc1cc(O[C@@H]2CCCN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C2)ncn1 ZINC001161310063 831947492 /nfs/dbraw/zinc/94/74/92/831947492.db2.gz XLEYQNILSRPHRR-KGLIPLIRSA-N 2 0 331.420 -0.036 20 0 EBADRP CCN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161341590 831949899 /nfs/dbraw/zinc/94/98/99/831949899.db2.gz WXUCXLPDDIAGDT-OLZOCXBDSA-N 2 0 328.457 -0.155 20 0 EBADRP CC(C)N(C(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2)[C@H]1CC[NH2+]C1 ZINC001161352639 831950383 /nfs/dbraw/zinc/95/03/83/831950383.db2.gz XWQHJICQHSEZPP-QWHCGFSZSA-N 2 0 333.440 -0.477 20 0 EBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3Cn4cnnc4C34CC[NH2+]CC4)C[C@H]12 ZINC001161411940 831954891 /nfs/dbraw/zinc/95/48/91/831954891.db2.gz CVWVSABYWKOAOJ-XJFOESAGSA-N 2 0 330.436 -0.275 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161412182 831955006 /nfs/dbraw/zinc/95/50/06/831955006.db2.gz HGWCMYITGODRTD-CYDGBPFRSA-N 2 0 326.441 -0.559 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161414456 831956095 /nfs/dbraw/zinc/95/60/95/831956095.db2.gz WZNYTQWYDZMZNK-JJXSEGSLSA-N 2 0 330.432 -0.132 20 0 EBADRP C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161450063 831959139 /nfs/dbraw/zinc/95/91/39/831959139.db2.gz ZJBYWWPOTQIDCH-NJVJYBDUSA-N 2 0 340.468 -0.740 20 0 EBADRP CCCCOC(=O)[C@@H]1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001161469518 831961899 /nfs/dbraw/zinc/96/18/99/831961899.db2.gz YYMRNUWIILLSFJ-UKRRQHHQSA-N 2 0 340.468 -0.071 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])C1CCOCC1)CC2 ZINC001161476564 831962071 /nfs/dbraw/zinc/96/20/71/831962071.db2.gz DNQHOCFQQXHASV-DVOMOZLQSA-N 2 0 325.409 -0.506 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)CC1([NH3+])CCOCC1)CC2 ZINC001161479333 831963663 /nfs/dbraw/zinc/96/36/63/831963663.db2.gz KEHNHRJFONEZCN-LRDDRELGSA-N 2 0 325.409 -0.362 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)c1n[nH]c3c1CC[NH2+]C3)CC2 ZINC001161480812 831964464 /nfs/dbraw/zinc/96/44/64/831964464.db2.gz BJIQNMBXOGTAPY-LRDDRELGSA-N 2 0 333.392 -0.577 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)c1n[nH]c3c1CC[NH2+]C3)CC2 ZINC001161480809 831964616 /nfs/dbraw/zinc/96/46/16/831964616.db2.gz BJIQNMBXOGTAPY-BLLLJJGKSA-N 2 0 333.392 -0.577 20 0 EBADRP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001161592569 831975651 /nfs/dbraw/zinc/97/56/51/831975651.db2.gz XLGONSBHHDKZTD-INIZCTEOSA-N 2 0 342.443 -0.062 20 0 EBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001161601503 831976408 /nfs/dbraw/zinc/97/64/08/831976408.db2.gz HBOKYQORCJQAKN-HZSPNIEDSA-N 2 0 326.416 -0.933 20 0 EBADRP CC[C@H](C(N)=O)[N@H+]1CC=C(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001161698780 831983931 /nfs/dbraw/zinc/98/39/31/831983931.db2.gz DQUSIJPFCADYAP-OAHLLOKOSA-N 2 0 340.468 -0.033 20 0 EBADRP O=C(NCCC[NH2+]CCN1C(=O)CNC1=O)C12CCC[NH+]1CCC2 ZINC001161796010 831992210 /nfs/dbraw/zinc/99/22/10/831992210.db2.gz WXBSFCKFKYTGOB-UHFFFAOYSA-N 2 0 337.424 -0.738 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC2=CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC001161863885 831998413 /nfs/dbraw/zinc/99/84/13/831998413.db2.gz WKDLFEDNCAOZTD-LSDHHAIUSA-N 2 0 348.447 -0.118 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])c1ccccc1C(=O)NC1CC[NH2+]CC1 ZINC001162130790 832020780 /nfs/dbraw/zinc/02/07/80/832020780.db2.gz HJXVAWJHFBOSGU-UHFFFAOYSA-N 2 0 340.449 -0.107 20 0 EBADRP COCC1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001162170653 832023210 /nfs/dbraw/zinc/02/32/10/832023210.db2.gz CDVMUIMUDHBNMN-KGLIPLIRSA-N 2 0 340.468 -0.201 20 0 EBADRP CCOC(=O)c1c(C[NH3+])ncn1-c1ccnc(N2CC[NH2+]CC2)n1 ZINC001162529875 832050783 /nfs/dbraw/zinc/05/07/83/832050783.db2.gz FSDWHODCXFRYKY-UHFFFAOYSA-N 2 0 331.380 -0.293 20 0 EBADRP CN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1=O ZINC001162872624 832069580 /nfs/dbraw/zinc/06/95/80/832069580.db2.gz YNLGMKUJPZMNJD-CWVKQELPSA-N 2 0 336.436 -0.824 20 0 EBADRP c1nc(O[C@H]2CC[NH2+]C2)ncc1NCc1nnc2n1CCC[NH2+]C2 ZINC001163017695 832076334 /nfs/dbraw/zinc/07/63/34/832076334.db2.gz REEQUPXGNSIGQZ-LBPRGKRZSA-N 2 0 330.396 -0.086 20 0 EBADRP O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cncc(OCC[NH+]3CCCC3)n2)N1 ZINC001163240159 832092489 /nfs/dbraw/zinc/09/24/89/832092489.db2.gz XLSOSFPBEACOOV-WBMJQRKESA-N 2 0 332.408 -0.059 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1)C(=O)NC(N)=O ZINC001163242926 832093226 /nfs/dbraw/zinc/09/32/26/832093226.db2.gz PFYGZXXZPUYWGR-AAEUAGOBSA-N 2 0 339.440 -0.460 20 0 EBADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC001350060950 832112150 /nfs/dbraw/zinc/11/21/50/832112150.db2.gz GUMSPHYGKDNBSB-SHTZXODSSA-N 2 0 338.452 -0.589 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])Nc1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001163444648 832115164 /nfs/dbraw/zinc/11/51/64/832115164.db2.gz HDIBQTJUIHPCQB-AWEZNQCLSA-N 2 0 348.451 -0.218 20 0 EBADRP CCN1CCO[C@@H](C(=O)NCCCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001350127155 832119376 /nfs/dbraw/zinc/11/93/76/832119376.db2.gz SPRGFUWHXPXLND-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP CN(CCC[NH+](C)C)c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001163595954 832123667 /nfs/dbraw/zinc/12/36/67/832123667.db2.gz YBYYHQKHAWCMIU-UHFFFAOYSA-N 2 0 341.481 -0.044 20 0 EBADRP CN(c1ccc([C@H]2CC3(C[NH2+]C3)C(=O)N2)cc1)S(=O)(=O)CC[NH3+] ZINC001164296714 832182796 /nfs/dbraw/zinc/18/27/96/832182796.db2.gz MPCZDFVUKYZSMR-CYBMUJFWSA-N 2 0 338.433 -0.438 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)N2CCC2)C1 ZINC001164538411 832195684 /nfs/dbraw/zinc/19/56/84/832195684.db2.gz GPCHIVNIEMVLFA-CQSZACIVSA-N 2 0 326.441 -0.576 20 0 EBADRP O=C1CN(c2ccc(N3CC[NH2+]CC3)cn2)CC2(CC[NH2+]CC2)N1 ZINC001165256461 832209254 /nfs/dbraw/zinc/20/92/54/832209254.db2.gz ZHEINPOLPYLNCX-UHFFFAOYSA-N 2 0 330.436 -0.450 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165361056 832217591 /nfs/dbraw/zinc/21/75/91/832217591.db2.gz WCULQLRIHCOJBA-UHFFFAOYSA-N 2 0 343.472 -0.094 20 0 EBADRP C[NH+]1CCC(C(=O)NCCC[NH2+]CC(=O)Nc2cnccn2)CC1 ZINC001165772045 832236564 /nfs/dbraw/zinc/23/65/64/832236564.db2.gz HGNJVRJCVFPARQ-UHFFFAOYSA-N 2 0 334.424 -0.147 20 0 EBADRP C[NH+](C)CCC(=O)NCCC[NH2+]Cc1nnnn1CC(F)(F)F ZINC001165781689 832237418 /nfs/dbraw/zinc/23/74/18/832237418.db2.gz XHDFRAJOEVNOBJ-UHFFFAOYSA-N 2 0 337.350 -0.217 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001166626820 832275029 /nfs/dbraw/zinc/27/50/29/832275029.db2.gz KGNXMDCYMJGSNP-CABCVRRESA-N 2 0 340.468 -0.281 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001166627434 832275093 /nfs/dbraw/zinc/27/50/93/832275093.db2.gz VTIOJLGIXCWZHX-NWDGAFQWSA-N 2 0 327.429 -0.589 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166627433 832275376 /nfs/dbraw/zinc/27/53/76/832275376.db2.gz VTIOJLGIXCWZHX-NEPJUHHUSA-N 2 0 327.429 -0.589 20 0 EBADRP COCCCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166667806 832277301 /nfs/dbraw/zinc/27/73/01/832277301.db2.gz IUQLVFPRSONPTG-CQSZACIVSA-N 2 0 328.457 -0.423 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166677870 832279056 /nfs/dbraw/zinc/27/90/56/832279056.db2.gz OXVMDSGLEMZRAF-CQSZACIVSA-N 2 0 348.513 -0.247 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001166690404 832280250 /nfs/dbraw/zinc/28/02/50/832280250.db2.gz AAAUUSVJKSZESA-KBPBESRZSA-N 2 0 348.513 -0.439 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001166678453 832280497 /nfs/dbraw/zinc/28/04/97/832280497.db2.gz VNEXXKMJSOOCNT-CQSZACIVSA-N 2 0 348.513 -0.294 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1nnc2n1CCOC2 ZINC001166707755 832280976 /nfs/dbraw/zinc/28/09/76/832280976.db2.gz IVWMGBNYXZCOBW-STQMWFEESA-N 2 0 336.440 -0.398 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)Nc1nncs1 ZINC001166708195 832282526 /nfs/dbraw/zinc/28/25/26/832282526.db2.gz NUGHUFAZLRRTHD-MNOVXSKESA-N 2 0 340.453 -0.230 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001166708617 832282943 /nfs/dbraw/zinc/28/29/43/832282943.db2.gz UWWYBFSTENTSIU-KBPBESRZSA-N 2 0 328.457 -0.567 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)Nc1nncs1 ZINC001166708196 832283085 /nfs/dbraw/zinc/28/30/85/832283085.db2.gz NUGHUFAZLRRTHD-QWRGUYRKSA-N 2 0 340.453 -0.230 20 0 EBADRP CO[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001351838584 832284660 /nfs/dbraw/zinc/28/46/60/832284660.db2.gz QYTJLHCDEGLRGD-KFWWJZLASA-N 2 0 340.468 -0.569 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001166750938 832287176 /nfs/dbraw/zinc/28/71/76/832287176.db2.gz NGLSFOZDKIGJHF-GFCCVEGCSA-N 2 0 343.472 -0.096 20 0 EBADRP CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1)[NH+](C)C ZINC001166858440 832294726 /nfs/dbraw/zinc/29/47/26/832294726.db2.gz UWQKXOZPYHMQOS-KGLIPLIRSA-N 2 0 328.457 -0.282 20 0 EBADRP Cn1[nH]c(C[NH2+]CC2(CCNC(=O)CCC[NH+](C)C)CC2)nc1=O ZINC001166889825 832295754 /nfs/dbraw/zinc/29/57/54/832295754.db2.gz AITNIRXSVBEXPF-UHFFFAOYSA-N 2 0 338.456 -0.174 20 0 EBADRP C[C@@H](COCC(=O)NCCC[NH2+][C@H]1CCCNC1=O)[NH+]1CCCC1 ZINC001166931867 832300138 /nfs/dbraw/zinc/30/01/38/832300138.db2.gz XYVOYUCHWSYZGC-GJZGRUSLSA-N 2 0 340.468 -0.138 20 0 EBADRP C[C@H](COCC(=O)NCCC[NH2+]Cc1cn(C)nn1)[NH+]1CCCC1 ZINC001166930713 832300230 /nfs/dbraw/zinc/30/02/30/832300230.db2.gz MJWZLWDKSYKQEU-CQSZACIVSA-N 2 0 338.456 -0.088 20 0 EBADRP C[C@@H](COCC(=O)NCCC[NH2+]CCn1cncn1)[NH+]1CCCC1 ZINC001166931887 832300311 /nfs/dbraw/zinc/30/03/11/832300311.db2.gz YOOSVOXISQIICL-HNNXBMFYSA-N 2 0 338.456 -0.125 20 0 EBADRP C[C@@H](COCC(=O)NCCC[NH2+][C@@H]1CCNC1=O)[NH+]1CCCC1 ZINC001166931167 832300608 /nfs/dbraw/zinc/30/06/08/832300608.db2.gz QWBFAPDCSWQGPH-UONOGXRCSA-N 2 0 326.441 -0.528 20 0 EBADRP C[NH+](C)CCC(=O)NCCC1(C[NH2+]CCN2CCNC2=O)CC1 ZINC001166971092 832304053 /nfs/dbraw/zinc/30/40/53/832304053.db2.gz HNFDLHMOEIGABN-UHFFFAOYSA-N 2 0 325.457 -0.161 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001167626693 832360241 /nfs/dbraw/zinc/36/02/41/832360241.db2.gz FMIGCSVFCYNCPQ-CYBMUJFWSA-N 2 0 341.456 -0.199 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001167636685 832361850 /nfs/dbraw/zinc/36/18/50/832361850.db2.gz XZLLUSLLYKTJGO-STQMWFEESA-N 2 0 341.456 -0.071 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167667563 832362170 /nfs/dbraw/zinc/36/21/70/832362170.db2.gz LQJMIGSESXZCDF-INIZCTEOSA-N 2 0 345.484 -0.162 20 0 EBADRP C[NH+]1CCC(NC(=O)c2ccc(-n3ccc(CC[NH3+])n3)nn2)CC1 ZINC001167729247 832366709 /nfs/dbraw/zinc/36/67/09/832366709.db2.gz FPJCMXCAMNCXPA-UHFFFAOYSA-N 2 0 329.408 -0.013 20 0 EBADRP CN(C)C(=O)C[NH2+]CC1(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001167732971 832367998 /nfs/dbraw/zinc/36/79/98/832367998.db2.gz QOUNOYGMAMAYIN-UHFFFAOYSA-N 2 0 328.457 -0.471 20 0 EBADRP Cn1nnnc1C[NH2+]CC1(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001167732487 832368307 /nfs/dbraw/zinc/36/83/07/832368307.db2.gz DTHHXRSTBUPILN-UHFFFAOYSA-N 2 0 339.444 -0.836 20 0 EBADRP CC[C@H]([NH2+]CC1(CCNC(=O)COCC[NH+](C)C)CC1)C(N)=O ZINC001167737380 832368836 /nfs/dbraw/zinc/36/88/36/832368836.db2.gz REIFBIJEUQYASP-ZDUSSCGKSA-N 2 0 328.457 -0.295 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001167737583 832369516 /nfs/dbraw/zinc/36/95/16/832369516.db2.gz WMOAKZJUHMSTGY-ZDUSSCGKSA-N 2 0 328.457 -0.425 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001168136965 832399701 /nfs/dbraw/zinc/39/97/01/832399701.db2.gz JVKWPWQBBXVSCX-GFCCVEGCSA-N 2 0 339.440 -0.730 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001353182234 832413486 /nfs/dbraw/zinc/41/34/86/832413486.db2.gz CIUUMDBWSFERJG-UONOGXRCSA-N 2 0 337.468 -0.922 20 0 EBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001353183296 832414358 /nfs/dbraw/zinc/41/43/58/832414358.db2.gz MJNQIHIYTIKLRC-CABCVRRESA-N 2 0 339.484 -0.674 20 0 EBADRP [NH3+]C[C@@H]1CC2(CO1)CCN(C(=O)NCCCN1CC[NH2+]CC1)CC2 ZINC001353413524 832426057 /nfs/dbraw/zinc/42/60/57/832426057.db2.gz KFHSCJYSBRCETM-HNNXBMFYSA-N 2 0 339.484 -0.179 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001168763507 832434085 /nfs/dbraw/zinc/43/40/85/832434085.db2.gz OTDKAKYKNIHEQG-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NCCCOC ZINC001168762516 832434293 /nfs/dbraw/zinc/43/42/93/832434293.db2.gz DSEZXMSLWLJNHX-AWEZNQCLSA-N 2 0 330.473 -0.035 20 0 EBADRP C[C@H](CCCC[NH2+]CCNS(C)(=O)=O)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169799918 832476340 /nfs/dbraw/zinc/47/63/40/832476340.db2.gz YDTCFRLYESGVGB-KGLIPLIRSA-N 2 0 348.513 -0.106 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001169948143 832483053 /nfs/dbraw/zinc/48/30/53/832483053.db2.gz LZUIKODOFZMMCF-UHFFFAOYSA-N 2 0 341.456 -0.342 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)CC1 ZINC001169948787 832483227 /nfs/dbraw/zinc/48/32/27/832483227.db2.gz RSGWMCMDARUESV-UHFFFAOYSA-N 2 0 327.429 -0.602 20 0 EBADRP C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001170842186 832529344 /nfs/dbraw/zinc/52/93/44/832529344.db2.gz PFFKPWBEOXNJFW-CYBMUJFWSA-N 2 0 338.456 -0.192 20 0 EBADRP CC1CCN(C(=O)C[NH2+]CCCNC(=O)COCC[NH+](C)C)CC1 ZINC001171199369 832550550 /nfs/dbraw/zinc/55/05/50/832550550.db2.gz ZWDABMCHGCPRMW-UHFFFAOYSA-N 2 0 342.484 -0.081 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001171205347 832550674 /nfs/dbraw/zinc/55/06/74/832550674.db2.gz SICQNWGJODIBGE-CQSZACIVSA-N 2 0 328.457 -0.423 20 0 EBADRP CC[C@H](C)NC(=O)[C@H](C)[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171216875 832551423 /nfs/dbraw/zinc/55/14/23/832551423.db2.gz KIEZWWGGSQYPJR-KBPBESRZSA-N 2 0 330.473 -0.036 20 0 EBADRP CCC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171215328 832551546 /nfs/dbraw/zinc/55/15/46/832551546.db2.gz AAHWQLLOBMBGRE-AWEZNQCLSA-N 2 0 330.473 -0.035 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171217921 832552321 /nfs/dbraw/zinc/55/23/21/832552321.db2.gz PLURQFOEPAVJQW-OLZOCXBDSA-N 2 0 341.456 -0.342 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171229657 832552630 /nfs/dbraw/zinc/55/26/30/832552630.db2.gz ZVXHDWHTPIGJLT-NWDGAFQWSA-N 2 0 327.429 -0.732 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001171762843 832574832 /nfs/dbraw/zinc/57/48/32/832574832.db2.gz NLOOZYIHPHKPQT-AWEZNQCLSA-N 2 0 348.513 -0.294 20 0 EBADRP C[C@@H]1O[C@@H](OCC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](O)[C@H](O)[C@@H]1O ZINC001172109296 832579749 /nfs/dbraw/zinc/57/97/49/832579749.db2.gz CFHYXOQPLZOIBI-GLKGHGLZSA-N 2 0 344.452 -0.565 20 0 EBADRP C[C@H](CCCC[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)CC[NH+](C)C ZINC001175056664 832613766 /nfs/dbraw/zinc/61/37/66/832613766.db2.gz MZZVWSBYLHJDPL-NEPJUHHUSA-N 2 0 329.445 -0.214 20 0 EBADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CCC([NH3+])CC2)CC[N@@H+]1C ZINC001356427640 832628162 /nfs/dbraw/zinc/62/81/62/832628162.db2.gz LYLADYFZDXVLHU-JSGCOSHPSA-N 2 0 325.457 -0.875 20 0 EBADRP C[NH+]1CCC(NC(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)CC1 ZINC001356429461 832629051 /nfs/dbraw/zinc/62/90/51/832629051.db2.gz WLTLSWSJHGSVHR-AWEZNQCLSA-N 2 0 338.452 -0.447 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176056032 832653948 /nfs/dbraw/zinc/65/39/48/832653948.db2.gz DJWJSMWFQJBCHY-ZDUSSCGKSA-N 2 0 334.486 -0.685 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001176056663 832654339 /nfs/dbraw/zinc/65/43/39/832654339.db2.gz JQTAKFPEKYLMGD-KGLIPLIRSA-N 2 0 326.441 -0.719 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001176071160 832655538 /nfs/dbraw/zinc/65/55/38/832655538.db2.gz CRMUVHALNXJSRD-CYBMUJFWSA-N 2 0 326.441 -0.671 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]CCCNC(=O)C[NH+]2CCCC2)s1 ZINC001176103340 832657497 /nfs/dbraw/zinc/65/74/97/832657497.db2.gz WZMWJNRORQEKDD-UHFFFAOYSA-N 2 0 340.453 -0.023 20 0 EBADRP Cn1ccc(N2CC[C@@H]([NH2+]CCCNC(=O)C[NH+]3CCCC3)C2=O)n1 ZINC001176110268 832658120 /nfs/dbraw/zinc/65/81/20/832658120.db2.gz JDPSEZRWBYTUOF-CQSZACIVSA-N 2 0 348.451 -0.283 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)C[NH+]2CCCC2)C[C@H](C)O1 ZINC001176117680 832658183 /nfs/dbraw/zinc/65/81/83/832658183.db2.gz DJBHDQSYMHBYLY-GASCZTMLSA-N 2 0 340.468 -0.186 20 0 EBADRP O=C(C[NH+]1CCCC1)NCCC[NH2+]Cc1nnnn1CC(F)(F)F ZINC001176109621 832658233 /nfs/dbraw/zinc/65/82/33/832658233.db2.gz BKHQDSWCWLPHNV-UHFFFAOYSA-N 2 0 349.361 -0.073 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001176152750 832659460 /nfs/dbraw/zinc/65/94/60/832659460.db2.gz JBMCOBIJOGSHIQ-KBPBESRZSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001176161876 832660405 /nfs/dbraw/zinc/66/04/05/832660405.db2.gz RZKGFUJXCCLGKU-KBPBESRZSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CC(=O)N(C)C1CC1 ZINC001176162354 832661035 /nfs/dbraw/zinc/66/10/35/832661035.db2.gz VZGAUTYFLIGZDA-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CCC[NH+]1CCCC1 ZINC001176884370 832700631 /nfs/dbraw/zinc/70/06/31/832700631.db2.gz DUUATQLSVKYPPX-UHFFFAOYSA-N 2 0 341.456 -0.196 20 0 EBADRP COC[C@@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176971701 832722552 /nfs/dbraw/zinc/72/25/52/832722552.db2.gz FXOWFOLTGOMSQX-CABCVRRESA-N 2 0 333.473 -0.165 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCNS(=O)(=O)CC ZINC001176991786 832727971 /nfs/dbraw/zinc/72/79/71/832727971.db2.gz DQZLPBRQPHQIAA-CQSZACIVSA-N 2 0 348.513 -0.104 20 0 EBADRP NC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001178535440 832878800 /nfs/dbraw/zinc/87/88/00/832878800.db2.gz JNTVWGUWIQSIFN-UONOGXRCSA-N 2 0 326.441 -0.399 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]2C)CC[N@@H+]1C ZINC001178731430 832905705 /nfs/dbraw/zinc/90/57/05/832905705.db2.gz WPEZZRQSARLTGZ-RQJABVFESA-N 2 0 346.497 -0.545 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001178827106 832919529 /nfs/dbraw/zinc/91/95/29/832919529.db2.gz CWVDHGPHUOAOMZ-CYBMUJFWSA-N 2 0 341.456 -0.068 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179439178 832978430 /nfs/dbraw/zinc/97/84/30/832978430.db2.gz IPXOAPILQKBMAG-AVGNSLFASA-N 2 0 341.456 -0.249 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)NC[C@H]2CCCO2)CCN1C(=O)CC[NH+](C)C ZINC001179481971 832981846 /nfs/dbraw/zinc/98/18/46/832981846.db2.gz NEJYAUOOKGSDMV-ZNMIVQPWSA-N 2 0 340.468 -0.188 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179486362 832982698 /nfs/dbraw/zinc/98/26/98/832982698.db2.gz KISZPTHANIMQCM-STQMWFEESA-N 2 0 334.486 -0.544 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)[C@@H]1C)[NH+](C)C ZINC001179554248 832988045 /nfs/dbraw/zinc/98/80/45/832988045.db2.gz XCVMTHCGDGIKBR-CYDGBPFRSA-N 2 0 341.456 -0.250 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212408152 837675785 /nfs/dbraw/zinc/67/57/85/837675785.db2.gz MYPSADVJJKDKBI-BFHYXJOUSA-N 2 0 329.441 -0.707 20 0 EBADRP CO[C@@H]1CN(CCn2cncn2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436790 837683785 /nfs/dbraw/zinc/68/37/85/837683785.db2.gz JZRBGNNRXXLJCJ-KFWWJZLASA-N 2 0 338.456 -0.320 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001187107212 833901064 /nfs/dbraw/zinc/90/10/64/833901064.db2.gz XOFKWWIQUQXEBH-CHWSQXEVSA-N 2 0 339.440 -0.636 20 0 EBADRP O=C(C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)NCC(F)(F)F ZINC001187122147 833903901 /nfs/dbraw/zinc/90/39/01/833903901.db2.gz PNQYAMJVDDBRKR-LLVKDONJSA-N 2 0 348.369 -0.049 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187232160 833912704 /nfs/dbraw/zinc/91/27/04/833912704.db2.gz WJDNYGIMHOKANG-QWHCGFSZSA-N 2 0 341.456 -0.247 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COCCOC)C1 ZINC001187321932 833919610 /nfs/dbraw/zinc/91/96/10/833919610.db2.gz IQFQNGPABHTCPB-HUUCEWRRSA-N 2 0 331.457 -0.457 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CCOCC3)C2)C1 ZINC001187817984 833971867 /nfs/dbraw/zinc/97/18/67/833971867.db2.gz MHUNPNLJMPTUAQ-UKRRQHHQSA-N 2 0 338.452 -0.576 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001187843227 833973197 /nfs/dbraw/zinc/97/31/97/833973197.db2.gz YKBVLFHAINXVMM-CYBMUJFWSA-N 2 0 337.424 -0.785 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001187851014 833973755 /nfs/dbraw/zinc/97/37/55/833973755.db2.gz LQJXSKPWZSZNEV-ZIAGYGMSSA-N 2 0 326.441 -0.767 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001187945387 833987921 /nfs/dbraw/zinc/98/79/21/833987921.db2.gz XJBDWNCGOLTGPF-GVDBMIGSSA-N 2 0 337.464 -0.130 20 0 EBADRP C[NH+](C)Cc1ccccc1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001188118062 834007389 /nfs/dbraw/zinc/00/73/89/834007389.db2.gz FHRGVOQNZLRDPV-CYBMUJFWSA-N 2 0 347.419 -0.253 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001188144947 834012891 /nfs/dbraw/zinc/01/28/91/834012891.db2.gz AROQLRHPENUWJI-CYBMUJFWSA-N 2 0 339.440 -0.495 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001189801476 834193235 /nfs/dbraw/zinc/19/32/35/834193235.db2.gz HJKPYYFTSJDGAF-LSDHHAIUSA-N 2 0 329.441 -0.894 20 0 EBADRP CCNC(=O)CN1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801993 834193577 /nfs/dbraw/zinc/19/35/77/834193577.db2.gz PJPJMKDFBLDCRR-UONOGXRCSA-N 2 0 326.441 -0.767 20 0 EBADRP COCCOCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213368490 837757595 /nfs/dbraw/zinc/75/75/95/837757595.db2.gz CLERZYLNZANATN-HZPDHXFCSA-N 2 0 343.468 -0.193 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001213399743 837764962 /nfs/dbraw/zinc/76/49/62/837764962.db2.gz JDTNQBURCAYISQ-KBUPBQIOSA-N 2 0 331.457 -0.605 20 0 EBADRP CO[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374417 837758255 /nfs/dbraw/zinc/75/82/55/837758255.db2.gz FWISEQFLOSPVQE-BZUAXINKSA-N 2 0 345.484 -0.213 20 0 EBADRP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001213455999 837777334 /nfs/dbraw/zinc/77/73/34/837777334.db2.gz YQWLJYZQRODBBJ-RBSFLKMASA-N 2 0 329.441 -0.705 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192029145 834593999 /nfs/dbraw/zinc/59/39/99/834593999.db2.gz INKPCWSDUKNINE-NEPJUHHUSA-N 2 0 327.429 -0.556 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)CCN2C(=O)CNC2=O)C1 ZINC001192169907 834620984 /nfs/dbraw/zinc/62/09/84/834620984.db2.gz FLSIACPGPGKEAJ-LBPRGKRZSA-N 2 0 325.413 -0.977 20 0 EBADRP C[N@H+](CCOCCO)[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001193077941 834791294 /nfs/dbraw/zinc/79/12/94/834791294.db2.gz OZIYOAXKHMYCTM-HNNXBMFYSA-N 2 0 343.468 -0.361 20 0 EBADRP COC[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001193078392 834792083 /nfs/dbraw/zinc/79/20/83/834792083.db2.gz SFLKOICPONYWCR-CABCVRRESA-N 2 0 343.468 -0.363 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CCN2C(=O)CNC2=O)C1 ZINC001193280238 834826402 /nfs/dbraw/zinc/82/64/02/834826402.db2.gz VBAANEFVNPQUBO-ZDUSSCGKSA-N 2 0 339.440 -0.587 20 0 EBADRP C[N@H+](C[C@@H](O)Cn1cccn1)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193499525 834892671 /nfs/dbraw/zinc/89/26/71/834892671.db2.gz JHCCUUGHGDTVKQ-HZPDHXFCSA-N 2 0 347.463 -0.128 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193559065 834906340 /nfs/dbraw/zinc/90/63/40/834906340.db2.gz GYBUHKMDGYMONQ-QWHCGFSZSA-N 2 0 341.456 -0.166 20 0 EBADRP COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194103052 835023833 /nfs/dbraw/zinc/02/38/33/835023833.db2.gz TXPGYVVQROWNGP-RBSFLKMASA-N 2 0 343.468 -0.459 20 0 EBADRP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196637881 835441417 /nfs/dbraw/zinc/44/14/17/835441417.db2.gz OJPBDUKGBQWAGI-HZPDHXFCSA-N 2 0 343.468 -0.457 20 0 EBADRP COCCOC[C@H](O)C[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197048329 835498040 /nfs/dbraw/zinc/49/80/40/835498040.db2.gz DTIDAVDDJGRTHG-OAHLLOKOSA-N 2 0 331.457 -0.504 20 0 EBADRP C[C@H](COCC(=O)N1CCCN([C@H](C)C(N)=O)CC1)[NH+]1CCCC1 ZINC001197187337 835520625 /nfs/dbraw/zinc/52/06/25/835520625.db2.gz DYOXGWJSURPHFZ-HUUCEWRRSA-N 2 0 340.468 -0.105 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCc3ncnn32)C[C@H]1O ZINC001197535810 835572016 /nfs/dbraw/zinc/57/20/16/835572016.db2.gz DUXCBRDHCYDYAC-MGPQQGTHSA-N 2 0 336.440 -0.732 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001197568541 835580466 /nfs/dbraw/zinc/58/04/66/835580466.db2.gz LZVXNMGYZJHXRG-HNNXBMFYSA-N 2 0 343.468 -0.361 20 0 EBADRP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198699419 835710585 /nfs/dbraw/zinc/71/05/85/835710585.db2.gz QNKLTOGVWVXSEA-BZUAXINKSA-N 2 0 343.468 -0.457 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023254 835751406 /nfs/dbraw/zinc/75/14/06/835751406.db2.gz DDDDYQXKFTXVJZ-RRFJBIMHSA-N 2 0 329.441 -0.969 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCO[C@@H]2CCOC2)C[C@H]1O ZINC001199097115 835762856 /nfs/dbraw/zinc/76/28/56/835762856.db2.gz WDJNXVRXSPPLGF-BZUAXINKSA-N 2 0 343.468 -0.317 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001199787884 835861834 /nfs/dbraw/zinc/86/18/34/835861834.db2.gz GURMGHWGBHHGGN-YPMHNXCESA-N 2 0 339.440 -0.495 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200115513 835911147 /nfs/dbraw/zinc/91/11/47/835911147.db2.gz MZLMSQCHWCJFNU-UONOGXRCSA-N 2 0 326.441 -0.624 20 0 EBADRP COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200122408 835912741 /nfs/dbraw/zinc/91/27/41/835912741.db2.gz DHYOIKJHYVJRAJ-HZPDHXFCSA-N 2 0 343.468 -0.049 20 0 EBADRP COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200122406 835912844 /nfs/dbraw/zinc/91/28/44/835912844.db2.gz DHYOIKJHYVJRAJ-CVEARBPZSA-N 2 0 343.468 -0.049 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CCS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001200635788 836000530 /nfs/dbraw/zinc/00/05/30/836000530.db2.gz CZOGQQABEAHECP-TZMCWYRMSA-N 2 0 331.482 -0.048 20 0 EBADRP C[C@@H]([NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCCO1)C(N)=O ZINC001200687896 836014842 /nfs/dbraw/zinc/01/48/42/836014842.db2.gz HUAWFYPCQITQOQ-OLZOCXBDSA-N 2 0 326.441 -0.448 20 0 EBADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CCCO1 ZINC001200688064 836014993 /nfs/dbraw/zinc/01/49/93/836014993.db2.gz KCTOECWZXRDLLV-GDBMZVCRSA-N 2 0 340.468 -0.330 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001200688773 836017338 /nfs/dbraw/zinc/01/73/38/836017338.db2.gz VUUKDYUIDNNSLD-LSDHHAIUSA-N 2 0 340.468 -0.058 20 0 EBADRP C[C@H]([NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1)C(N)=O ZINC001200704836 836020378 /nfs/dbraw/zinc/02/03/78/836020378.db2.gz PYJMPDCCCQTMJF-JSGCOSHPSA-N 2 0 326.441 -0.448 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001200722383 836023264 /nfs/dbraw/zinc/02/32/64/836023264.db2.gz WIUMHDUWQIUPSO-ZIAGYGMSSA-N 2 0 326.441 -0.447 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200803782 836037733 /nfs/dbraw/zinc/03/77/33/836037733.db2.gz BKBURUMEFILIKA-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001200865470 836051864 /nfs/dbraw/zinc/05/18/64/836051864.db2.gz JCLNMFOBNMFCTQ-HUUCEWRRSA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CCC([NH2+]CCS(C)(=O)=O)CC1)C1CC1 ZINC001201052473 836086402 /nfs/dbraw/zinc/08/64/02/836086402.db2.gz FWNCXTYEQDGYLH-CQSZACIVSA-N 2 0 331.482 -0.048 20 0 EBADRP C[C@@H]([NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCCO1)C(N)=O ZINC001201128219 836098938 /nfs/dbraw/zinc/09/89/38/836098938.db2.gz GCAGMJAJYDLXIM-KGLIPLIRSA-N 2 0 340.468 -0.058 20 0 EBADRP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCCO1 ZINC001201187749 836108374 /nfs/dbraw/zinc/10/83/74/836108374.db2.gz RSRGOOUXNPVWDJ-XHSDSOJGSA-N 2 0 343.468 -0.315 20 0 EBADRP CC[C@H](C(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1)[NH+](C)C ZINC001201240842 836116243 /nfs/dbraw/zinc/11/62/43/836116243.db2.gz ZWIKOECNWSQSPO-CYBMUJFWSA-N 2 0 334.486 -0.544 20 0 EBADRP CC[C@H](C(=O)N1CCC([NH2+][C@H](C)C(=O)NC(N)=O)CC1)[NH+](C)C ZINC001201240790 836116540 /nfs/dbraw/zinc/11/65/40/836116540.db2.gz YPKJNYMZVJWBLA-ZYHUDNBSSA-N 2 0 327.429 -0.509 20 0 EBADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1)C(=O)NC(N)=O ZINC001201267977 836120152 /nfs/dbraw/zinc/12/01/52/836120152.db2.gz UMRKPBFNHVEBGG-YPMHNXCESA-N 2 0 339.440 -0.365 20 0 EBADRP CN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)CCC[NH+](C)C)CCCO2)C1=O ZINC001201277457 836121948 /nfs/dbraw/zinc/12/19/48/836121948.db2.gz SRNIUWRUMBDALJ-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001201277601 836122307 /nfs/dbraw/zinc/12/23/07/836122307.db2.gz VEIMWAGGHIGOLK-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1 ZINC001201309520 836126824 /nfs/dbraw/zinc/12/68/24/836126824.db2.gz RBCKDUSRZILKPO-DZGCQCFKSA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH+](C)CCC(=O)N1CCCO[C@H](C[NH2+]CC(=O)N2CCCC2)C1 ZINC001201318597 836127838 /nfs/dbraw/zinc/12/78/38/836127838.db2.gz PYFFXIKTOPHILQ-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP C[NH+](C)CCC(=O)N1CCCO[C@H](C[NH2+]CCCS(C)(=O)=O)C1 ZINC001201318117 836128672 /nfs/dbraw/zinc/12/86/72/836128672.db2.gz LQPQXFKPASFBIB-CQSZACIVSA-N 2 0 349.497 -0.420 20 0 EBADRP CC[C@@H](C(=O)N1CCCO[C@H](C[NH2+]C[C@H](O)COC)C1)[NH+](C)C ZINC001201410813 836142188 /nfs/dbraw/zinc/14/21/88/836142188.db2.gz KBLLNNBGAAPXBV-ZNMIVQPWSA-N 2 0 331.457 -0.459 20 0 EBADRP C[C@H](COCC(=O)N1CCCO[C@H](C[NH2+]CCO)C1)[NH+]1CCCC1 ZINC001201429970 836145065 /nfs/dbraw/zinc/14/50/65/836145065.db2.gz JPTSCKYEFQXEEX-HZPDHXFCSA-N 2 0 343.468 -0.313 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCCO1 ZINC001201568208 836160915 /nfs/dbraw/zinc/16/09/15/836160915.db2.gz DROOJYUXUOXILK-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001201808358 836194499 /nfs/dbraw/zinc/19/44/99/836194499.db2.gz CBCCRJYJHUISDS-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](O)CCC[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201863289 836207471 /nfs/dbraw/zinc/20/74/71/836207471.db2.gz KQCCSRWLCJFKAF-JKSUJKDBSA-N 2 0 345.484 -0.067 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001201863374 836207582 /nfs/dbraw/zinc/20/75/82/836207582.db2.gz LXANWUGSDHTEDS-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP CC[C@@H]([NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1)C(N)=O ZINC001201871316 836208671 /nfs/dbraw/zinc/20/86/71/836208671.db2.gz IOFCUVWTEKLKKR-UONOGXRCSA-N 2 0 338.452 -0.447 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001201930567 836215885 /nfs/dbraw/zinc/21/58/85/836215885.db2.gz DGBKUAYNXGVZLH-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202058611 836244457 /nfs/dbraw/zinc/24/44/57/836244457.db2.gz LNCBUVFHYCKAQD-ZIAGYGMSSA-N 2 0 326.441 -0.719 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CCOCCO)C2)C1 ZINC001202059904 836244573 /nfs/dbraw/zinc/24/45/73/836244573.db2.gz SOPXDXHLHVVQIY-CABCVRRESA-N 2 0 329.441 -0.846 20 0 EBADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202058610 836245161 /nfs/dbraw/zinc/24/51/61/836245161.db2.gz LNCBUVFHYCKAQD-UONOGXRCSA-N 2 0 326.441 -0.719 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCCO1 ZINC001202140861 836261882 /nfs/dbraw/zinc/26/18/82/836261882.db2.gz HHXKGWJKINMRQX-HNNXBMFYSA-N 2 0 340.468 -0.185 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001202238340 836282905 /nfs/dbraw/zinc/28/29/05/836282905.db2.gz CGWOHZKPEGBGHW-INIZCTEOSA-N 2 0 345.484 -0.067 20 0 EBADRP C[C@H]([NH2+]C1CCN(C(=O)CCC[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001202239228 836283575 /nfs/dbraw/zinc/28/35/75/836283575.db2.gz UCMIAYLHLFLRRF-NSHDSACASA-N 2 0 327.429 -0.508 20 0 EBADRP CC(C)[C@H](C(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1)[NH+](C)C ZINC001202353452 836293088 /nfs/dbraw/zinc/29/30/88/836293088.db2.gz MGYYBPMIAJKMOU-CQSZACIVSA-N 2 0 348.513 -0.298 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]CCS(C)(=O)=O)CC1 ZINC001202503390 836308535 /nfs/dbraw/zinc/30/85/35/836308535.db2.gz MIUXKGOECYKFRT-OCCSQVGLSA-N 2 0 331.482 -0.191 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC([NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001202991883 836378023 /nfs/dbraw/zinc/37/80/23/836378023.db2.gz TVJWDBIQYDZQPG-NSHDSACASA-N 2 0 327.429 -0.508 20 0 EBADRP O=C(N1CCC([NH2+]C[C@@H](O)Cn2cccn2)CC1)C12CC[NH+](CC1)C2 ZINC001203354929 836425150 /nfs/dbraw/zinc/42/51/50/836425150.db2.gz KHHHKGBOPLPZDT-MRXNPFEDSA-N 2 0 347.463 -0.080 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCS(C)(=O)=O)C12CCC2 ZINC001203359256 836426403 /nfs/dbraw/zinc/42/64/03/836426403.db2.gz QSSNYCOQCIQRKP-OLZOCXBDSA-N 2 0 331.482 0.000 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001203407583 836427922 /nfs/dbraw/zinc/42/79/22/836427922.db2.gz OSHOHEXBULMEKL-UHFFFAOYSA-N 2 0 341.456 -0.246 20 0 EBADRP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C23CCC3)CC1 ZINC001203557999 836447387 /nfs/dbraw/zinc/44/73/87/836447387.db2.gz UGBNPBWRCVKSDX-KBPBESRZSA-N 2 0 338.452 -0.401 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001203704980 836463715 /nfs/dbraw/zinc/46/37/15/836463715.db2.gz JVHJKBLOAAPUJX-UHFFFAOYSA-N 2 0 339.440 -0.492 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203790905 836478255 /nfs/dbraw/zinc/47/82/55/836478255.db2.gz ABYUCFJBAYWXBO-RYUDHWBXSA-N 2 0 339.440 -0.462 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CCC(C[NH2+]CC(N)=O)CC2)n1 ZINC001205322205 836559140 /nfs/dbraw/zinc/55/91/40/836559140.db2.gz RRWWFGOTYJSCCA-UHFFFAOYSA-N 2 0 336.440 -0.628 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001206275184 836635114 /nfs/dbraw/zinc/63/51/14/836635114.db2.gz POGXLZINUZTADL-GFCCVEGCSA-N 2 0 339.440 -0.649 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001206275185 836635375 /nfs/dbraw/zinc/63/53/75/836635375.db2.gz POGXLZINUZTADL-LBPRGKRZSA-N 2 0 339.440 -0.649 20 0 EBADRP Cn1cnnc1C[NH2+]CC1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001206873847 836685619 /nfs/dbraw/zinc/68/56/19/836685619.db2.gz SCENIDAZOAXRNK-UHFFFAOYSA-N 2 0 338.456 -0.279 20 0 EBADRP CN1CC[C@@H]([NH2+]CC2CCN(C(=O)COCC[NH+](C)C)CC2)C1=O ZINC001206872729 836686179 /nfs/dbraw/zinc/68/61/79/836686179.db2.gz RMNATUBFGGEKOR-OAHLLOKOSA-N 2 0 340.468 -0.377 20 0 EBADRP COC[C@@H](O)C[NH2+]CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001206875156 836688200 /nfs/dbraw/zinc/68/82/00/836688200.db2.gz YCJMCDMSRKANQG-HNNXBMFYSA-N 2 0 325.453 -0.082 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC(C[NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001206890375 836694440 /nfs/dbraw/zinc/69/44/40/836694440.db2.gz ORPOMZQTZAYKQP-UHFFFAOYSA-N 2 0 338.456 -0.222 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001206954761 836727659 /nfs/dbraw/zinc/72/76/59/836727659.db2.gz WBXMIMBOVLLVBK-CQSZACIVSA-N 2 0 338.452 -0.040 20 0 EBADRP CCN1C[C@@]23C[N@H+](CC4CC[NH2+]CC4)C[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001207435047 836798666 /nfs/dbraw/zinc/79/86/66/836798666.db2.gz FCQVZISRSGGXEW-ILXRZTDVSA-N 2 0 329.466 -0.137 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1)C1CC1 ZINC001208334966 836999536 /nfs/dbraw/zinc/99/95/36/836999536.db2.gz OXMTZEQVCUEQBA-KBPBESRZSA-N 2 0 346.497 -0.544 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001208422781 837028502 /nfs/dbraw/zinc/02/85/02/837028502.db2.gz AWRKDDCHTBBLSX-QWHCGFSZSA-N 2 0 339.440 -0.493 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208446969 837041990 /nfs/dbraw/zinc/04/19/90/837041990.db2.gz DUCSPBLQSFHIRD-LLVKDONJSA-N 2 0 327.429 -0.508 20 0 EBADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208447284 837042384 /nfs/dbraw/zinc/04/23/84/837042384.db2.gz BFOZOFORYIHWAV-OWCLPIDISA-N 2 0 345.484 -0.211 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209324983 837155640 /nfs/dbraw/zinc/15/56/40/837155640.db2.gz VMMRDGIAVYJERP-LBPRGKRZSA-N 2 0 327.429 -0.636 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001209325339 837157792 /nfs/dbraw/zinc/15/77/92/837157792.db2.gz YZYBYJLWGINCHA-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001209418914 837165844 /nfs/dbraw/zinc/16/58/44/837165844.db2.gz GSVBHTOLQRTTFQ-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209419145 837166839 /nfs/dbraw/zinc/16/68/39/837166839.db2.gz JMBXCGJQWYAPEZ-CHWSQXEVSA-N 2 0 341.456 -0.247 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209453989 837167757 /nfs/dbraw/zinc/16/77/57/837167757.db2.gz IPASYHGONSCWET-ZDUSSCGKSA-N 2 0 334.486 -0.542 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209447054 837167984 /nfs/dbraw/zinc/16/79/84/837167984.db2.gz WKWAJYPPIPVVHY-NWDGAFQWSA-N 2 0 327.429 -0.637 20 0 EBADRP CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001209474132 837169954 /nfs/dbraw/zinc/16/99/54/837169954.db2.gz FKKWNOVCKOCPSX-ZIAGYGMSSA-N 2 0 348.513 -0.298 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001209485922 837171041 /nfs/dbraw/zinc/17/10/41/837171041.db2.gz UGMDZUIFCBQNDV-GXTWGEPZSA-N 2 0 341.456 -0.391 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001209659894 837187117 /nfs/dbraw/zinc/18/71/17/837187117.db2.gz JYQCWWVUXWVGDL-LBPRGKRZSA-N 2 0 339.440 -0.506 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209835892 837203627 /nfs/dbraw/zinc/20/36/27/837203627.db2.gz DUJJGCJIIPLRRO-IIAWOOMASA-N 2 0 343.468 -0.459 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001210219835 837256555 /nfs/dbraw/zinc/25/65/55/837256555.db2.gz UNEJBSBRBAXWTD-RYUDHWBXSA-N 2 0 327.429 -0.508 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)COCCOC)C1 ZINC001210228436 837256725 /nfs/dbraw/zinc/25/67/25/837256725.db2.gz IQEUBPYTIPQSAJ-HZPDHXFCSA-N 2 0 345.484 -0.067 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CCC[C@H]([NH2+]CCOCCO)C2)CC1 ZINC001210339824 837273792 /nfs/dbraw/zinc/27/37/92/837273792.db2.gz QINDEKFDGWUKFM-HNNXBMFYSA-N 2 0 343.468 -0.313 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001210492784 837289746 /nfs/dbraw/zinc/28/97/46/837289746.db2.gz COXJINRWTTWTEB-AWEZNQCLSA-N 2 0 325.457 -0.066 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001210678884 837318012 /nfs/dbraw/zinc/31/80/12/837318012.db2.gz XMEUBBXVVNQAQO-CYBMUJFWSA-N 2 0 335.470 -0.810 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001210685124 837319978 /nfs/dbraw/zinc/31/99/78/837319978.db2.gz NZZZCUSVZCTOEB-UKRRQHHQSA-N 2 0 340.468 -0.188 20 0 EBADRP CN1CCC[C@@H]([NH2+][C@@H]2CCCN(C(=O)COCC[NH+](C)C)C2)C1=O ZINC001210685304 837320130 /nfs/dbraw/zinc/32/01/30/837320130.db2.gz SFSRDJBIRNEKBN-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001210742215 837327115 /nfs/dbraw/zinc/32/71/15/837327115.db2.gz BTJPZCHNWIGYIT-OLZOCXBDSA-N 2 0 341.456 -0.118 20 0 EBADRP Cn1[nH]c(C[NH2+][C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)nc1=O ZINC001210750288 837328287 /nfs/dbraw/zinc/32/82/87/837328287.db2.gz AWBQFNJDNHILNS-CYBMUJFWSA-N 2 0 338.456 -0.079 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(=O)NCC)C1 ZINC001210790230 837330738 /nfs/dbraw/zinc/33/07/38/837330738.db2.gz WJCIMNOEEYHEEE-ZDUSSCGKSA-N 2 0 341.456 -0.246 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001211072581 837380023 /nfs/dbraw/zinc/38/00/23/837380023.db2.gz UDLHXJSFHAEEDM-STQMWFEESA-N 2 0 332.470 -0.932 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211082004 837381100 /nfs/dbraw/zinc/38/11/00/837381100.db2.gz OMRHSZOVSTZQRV-HNNXBMFYSA-N 2 0 340.468 -0.185 20 0 EBADRP CN(CC[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)S(C)(=O)=O ZINC001211081126 837381147 /nfs/dbraw/zinc/38/11/47/837381147.db2.gz IMAZVFLWOCHYHI-CQSZACIVSA-N 2 0 346.497 -0.446 20 0 EBADRP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213719102 837850410 /nfs/dbraw/zinc/85/04/10/837850410.db2.gz NLKXPMXFHOCLBK-HUUCEWRRSA-N 2 0 339.440 -0.723 20 0 EBADRP COCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213863489 837888466 /nfs/dbraw/zinc/88/84/66/837888466.db2.gz LZNJNFGRDBIATP-RRFJBIMHSA-N 2 0 329.441 -0.584 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2C[NH2+]CCS(C)(=O)=O)C1 ZINC001319124846 838076657 /nfs/dbraw/zinc/07/66/57/838076657.db2.gz VKTLWKWDWIUNCE-ZIAGYGMSSA-N 2 0 331.482 -0.047 20 0 EBADRP O=C(NC[C@@H](O)C[NH2+]CCC[C@@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001320296525 838749369 /nfs/dbraw/zinc/74/93/69/838749369.db2.gz SCJGQCCSMIMDQW-CABCVRRESA-N 2 0 325.453 -0.034 20 0 EBADRP C[C@@H](CC[NH2+]CCN1CCCS1(=O)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320514820 838782897 /nfs/dbraw/zinc/78/28/97/838782897.db2.gz BARDANWKDMAQAD-UONOGXRCSA-N 2 0 346.497 -0.400 20 0 EBADRP CCN(CC[NH2+]CCNS(C)(=O)=O)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001320737768 838827608 /nfs/dbraw/zinc/82/76/08/838827608.db2.gz NRGNVWGIDLROJQ-CHWSQXEVSA-N 2 0 334.486 -0.686 20 0 EBADRP CCN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001320829359 838845099 /nfs/dbraw/zinc/84/50/99/838845099.db2.gz DTFWWLNYCFECSO-UHFFFAOYSA-N 2 0 339.440 -0.682 20 0 EBADRP C[C@H](C[NH2+]CCN(C)S(C)(=O)=O)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001321522227 839009710 /nfs/dbraw/zinc/00/97/10/839009710.db2.gz GXJNKVIQQTWYBS-OCCSQVGLSA-N 2 0 346.497 -0.686 20 0 EBADRP C[C@H](C[NH2+]CCN1C(=O)CNC1=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001321617301 839034414 /nfs/dbraw/zinc/03/44/14/839034414.db2.gz JVHRWPZEVSFYKC-NEPJUHHUSA-N 2 0 325.413 -0.883 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CCN1C(=O)CNC1=O)[NH+](C)C ZINC001321879104 839094223 /nfs/dbraw/zinc/09/42/23/839094223.db2.gz XGIYGYCPHSJDMM-AAEUAGOBSA-N 2 0 327.429 -0.781 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001323516540 839462507 /nfs/dbraw/zinc/46/25/07/839462507.db2.gz RKJBAUFSMLXFAU-CYBMUJFWSA-N 2 0 346.497 -0.400 20 0 EBADRP NC(=O)C[C@@H]1CC[NH+](CCOCC[N@H+]2CC[C@@H](CC(N)=O)C2)C1 ZINC001323707498 839505240 /nfs/dbraw/zinc/50/52/40/839505240.db2.gz QVRKXPXYRMXMAG-KBPBESRZSA-N 2 0 326.441 -0.602 20 0 EBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC001325745804 839926544 /nfs/dbraw/zinc/92/65/44/839926544.db2.gz LSNQUXLMLHXPFB-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP O=C(N[C@@]1(CO)CCC[N@@H+](CCOCCO)C1)C12CC[NH+](CC1)C2 ZINC001325864338 839961928 /nfs/dbraw/zinc/96/19/28/839961928.db2.gz FEYBXCMWLHBESN-KRWDZBQOSA-N 2 0 341.452 -0.966 20 0 EBADRP Cc1nnsc1C[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001325990386 839995938 /nfs/dbraw/zinc/99/59/38/839995938.db2.gz QDCUCIYBZYBHAU-LBPRGKRZSA-N 2 0 327.454 -0.149 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N(CCO)CC[NH2+]CC(=O)N2CCC2)CC[N@@H+]1C ZINC001326024698 840006582 /nfs/dbraw/zinc/00/65/82/840006582.db2.gz WUAQBLXEWLBYJZ-LSDHHAIUSA-N 2 0 340.468 -0.641 20 0 EBADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N(CCO)CC[NH2+]CC(N)=O)C1 ZINC001326092425 840031498 /nfs/dbraw/zinc/03/14/98/840031498.db2.gz YMNMTCRRPLIUMD-OAHLLOKOSA-N 2 0 332.420 -0.905 20 0 EBADRP Cn1ccc(C[NH2+]CCN(CCO)C(=O)C23CC[NH+](CC2)C3)cc1=O ZINC001326134192 840043100 /nfs/dbraw/zinc/04/31/00/840043100.db2.gz CPKSOLLDNKBVJR-UHFFFAOYSA-N 2 0 348.447 -0.608 20 0 EBADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@H](O)CN3CC[NH+](C)CC3)C2)CC1 ZINC001326155307 840052187 /nfs/dbraw/zinc/05/21/87/840052187.db2.gz DFKQIBAYCXHINA-AEFFLSMTSA-N 3 0 339.528 -0.647 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CC[NH2+]Cc3nnnn3C)C2)CC[N@@H+]1C ZINC001326273614 840077670 /nfs/dbraw/zinc/07/76/70/840077670.db2.gz WGJJBXJXZDBEPG-MGPQQGTHSA-N 2 0 335.456 -0.122 20 0 EBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001326546392 840131993 /nfs/dbraw/zinc/13/19/93/840131993.db2.gz FFDIDEOHLPWPTG-KGLIPLIRSA-N 2 0 327.473 -0.628 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001326560239 840135203 /nfs/dbraw/zinc/13/52/03/840135203.db2.gz HITRCIAYHWZSBI-SOUVJXGZSA-N 2 0 340.468 -0.249 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC001326852568 840219013 /nfs/dbraw/zinc/21/90/13/840219013.db2.gz CTXOLPGEKRCSTL-OTVXOJSOSA-N 2 0 340.468 -0.330 20 0 EBADRP COCCC[NH2+]C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CCO1 ZINC001327050724 840287458 /nfs/dbraw/zinc/28/74/58/840287458.db2.gz VXGNNUHEKLJHFK-INIZCTEOSA-N 2 0 343.468 -0.049 20 0 EBADRP Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001327064060 840291616 /nfs/dbraw/zinc/29/16/16/840291616.db2.gz MEHDOBFCODQABU-HNNXBMFYSA-N 2 0 338.456 -0.136 20 0 EBADRP CN(CCC[N@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001327276498 840348619 /nfs/dbraw/zinc/34/86/19/840348619.db2.gz COMIVOHLWDBHLH-KGLIPLIRSA-N 2 0 338.452 -0.086 20 0 EBADRP C[C@H](CCNC(=O)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1)[NH+](C)C ZINC001327458746 840425221 /nfs/dbraw/zinc/42/52/21/840425221.db2.gz VYVUDULSKNQJNZ-GFCCVEGCSA-N 2 0 349.439 -0.719 20 0 EBADRP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC001327534101 840448043 /nfs/dbraw/zinc/44/80/43/840448043.db2.gz YNWGVALNQSHOSG-YOEHRIQHSA-N 2 0 338.452 -0.447 20 0 EBADRP CC[NH+](CC)C1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC001327856544 840535906 /nfs/dbraw/zinc/53/59/06/840535906.db2.gz UEHZDSFNMSMRHZ-HNNXBMFYSA-N 2 0 339.484 -0.580 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCOC1(C)C ZINC001329198638 840871514 /nfs/dbraw/zinc/87/15/14/840871514.db2.gz DAULYMQVJDBGFN-CQSZACIVSA-N 2 0 342.484 -0.131 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001329565716 840954780 /nfs/dbraw/zinc/95/47/80/840954780.db2.gz JLPCSLWHXMCHRY-UHFFFAOYSA-N 2 0 339.484 -0.580 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCc2cccnn2)C[C@H]1C[NH+](C)C ZINC001330198005 841139580 /nfs/dbraw/zinc/13/95/80/841139580.db2.gz VTDXAMPKCOGBGR-ZIAGYGMSSA-N 2 0 348.451 -0.709 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCOC2)C[C@H]1C[NH+](C)C ZINC001330510465 841224898 /nfs/dbraw/zinc/22/48/98/841224898.db2.gz SFLAERCDCMJMKH-RRFJBIMHSA-N 2 0 340.468 -0.663 20 0 EBADRP CCN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1CC[NH2+]C1 ZINC001331167343 841362176 /nfs/dbraw/zinc/36/21/76/841362176.db2.gz GFGQOMSJXZAIOG-HUUCEWRRSA-N 2 0 338.452 -0.434 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001331314944 841390398 /nfs/dbraw/zinc/39/03/98/841390398.db2.gz MHVBPHASDBRWTN-ZIAGYGMSSA-N 2 0 326.441 -0.767 20 0 EBADRP O=C(NCCCN1CC[NH2+]CC1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001331394936 841402314 /nfs/dbraw/zinc/40/23/14/841402314.db2.gz ZYUWAWXINBSKGI-HNNXBMFYSA-N 2 0 339.484 -0.260 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC001331736883 841476134 /nfs/dbraw/zinc/47/61/34/841476134.db2.gz APWCCUYQCXIXOX-CQSZACIVSA-N 2 0 327.473 -0.674 20 0 EBADRP CC(C)NC(=O)NCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001331738317 841477012 /nfs/dbraw/zinc/47/70/12/841477012.db2.gz GGMQBKHIAZIANB-KGLIPLIRSA-N 2 0 343.472 -0.755 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C[C@H]1C ZINC001332051791 841560310 /nfs/dbraw/zinc/56/03/10/841560310.db2.gz UEFSOCJMCASLGO-CHWSQXEVSA-N 2 0 339.440 -0.541 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC001332235473 841596274 /nfs/dbraw/zinc/59/62/74/841596274.db2.gz OGTNHMXHONUHJG-CQSZACIVSA-N 2 0 326.441 -0.447 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]CCN2CCCC2=O)C1 ZINC001332566218 841672150 /nfs/dbraw/zinc/67/21/50/841672150.db2.gz MPLRRGRQQJWISD-GJZGRUSLSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CO1 ZINC001333079830 841790930 /nfs/dbraw/zinc/79/09/30/841790930.db2.gz SSRFKWSVFVNEKX-KBUPBQIOSA-N 2 0 340.468 -0.522 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CCOCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001333223117 841825681 /nfs/dbraw/zinc/82/56/81/841825681.db2.gz NRWAVNIWEUXFLO-MGPQQGTHSA-N 2 0 328.457 -0.474 20 0 EBADRP CN(CCOCC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001333266199 841839056 /nfs/dbraw/zinc/83/90/56/841839056.db2.gz DDWJDYRYQQXRJZ-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)N1CCN(C)CC[NH+](C)CC1 ZINC001333640556 841921895 /nfs/dbraw/zinc/92/18/95/841921895.db2.gz KYXWGMICBNHHJG-UHFFFAOYSA-N 2 0 329.489 -0.157 20 0 EBADRP C[NH+](C)CC[C@@H](N)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001333731563 841934732 /nfs/dbraw/zinc/93/47/32/841934732.db2.gz CYSMEIHDVIMKHJ-HZPDHXFCSA-N 2 0 341.500 -0.822 20 0 EBADRP CC1(C)CN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC[NH2+]1 ZINC001334788020 842132002 /nfs/dbraw/zinc/13/20/02/842132002.db2.gz MVXZACPFRGQYER-KBPBESRZSA-N 2 0 338.452 -0.746 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC001335188773 842217926 /nfs/dbraw/zinc/21/79/26/842217926.db2.gz TUUYUEUPNHCZBC-CQSZACIVSA-N 2 0 340.468 -0.199 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)C[NH+]1CCN(C)CC1 ZINC001335195892 842220535 /nfs/dbraw/zinc/22/05/35/842220535.db2.gz DLZGOQWBBGVZCT-LSDHHAIUSA-N 2 0 339.484 -0.817 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC001335207689 842226094 /nfs/dbraw/zinc/22/60/94/842226094.db2.gz PWTRKUZVKQSCOB-CQSZACIVSA-N 2 0 326.441 -0.719 20 0 EBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC1 ZINC001335392167 842272629 /nfs/dbraw/zinc/27/26/29/842272629.db2.gz NPGRVMRZUYRBGK-AWEZNQCLSA-N 2 0 338.452 -0.493 20 0 EBADRP [NH3+]C1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001335767395 842352804 /nfs/dbraw/zinc/35/28/04/842352804.db2.gz DQYONOBEHZAJTG-GJZGRUSLSA-N 2 0 337.468 -0.731 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCNC(=O)NC2CCCCC2)CC1 ZINC001336014900 842383560 /nfs/dbraw/zinc/38/35/60/842383560.db2.gz ACZHGINJXRMFOB-INIZCTEOSA-N 2 0 341.500 -0.184 20 0 EBADRP CCN1CC[NH+](CCCC[NH2+]C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC001336135307 842403860 /nfs/dbraw/zinc/40/38/60/842403860.db2.gz HQYJEGIGZNZPCL-IAGOWNOFSA-N 2 0 329.485 -0.104 20 0 EBADRP CO[C@@H]1CC[C@@H]1N(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001336318184 842437700 /nfs/dbraw/zinc/43/77/00/842437700.db2.gz DKWPKAIOTGGLSR-UONOGXRCSA-N 2 0 328.457 -0.426 20 0 EBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC001338330422 842782878 /nfs/dbraw/zinc/78/28/78/842782878.db2.gz UGOJZCIZOIGURO-UHFFFAOYSA-N 2 0 339.484 -0.485 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCCS(N)(=O)=O)C[C@H]1C[NH+](C)C ZINC001339915119 842952136 /nfs/dbraw/zinc/95/21/36/842952136.db2.gz QULQPPCGRGEDEE-CHWSQXEVSA-N 2 0 349.501 -0.954 20 0 EBADRP CC[NH+](CC)CCCNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@H]21 ZINC001341516739 843095530 /nfs/dbraw/zinc/09/55/30/843095530.db2.gz TZGXHABSRRUCQV-RDBSUJKOSA-N 2 0 331.482 -0.143 20 0 EBADRP C[C@@]1(C(=O)NCC[NH2+]CCNC(=O)[C@]2(C)CCC[NH2+]2)CCC[NH2+]1 ZINC001341633772 843102991 /nfs/dbraw/zinc/10/29/91/843102991.db2.gz AHCKBHOKVRLESP-HOTGVXAUSA-N 3 0 325.457 -0.907 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)c1cnn2cc(CC[NH3+])cnc12 ZINC001341660211 843103973 /nfs/dbraw/zinc/10/39/73/843103973.db2.gz VBALPPBMNQKWTJ-UHFFFAOYSA-N 2 0 334.424 -0.071 20 0 EBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1=O ZINC001341924777 843126000 /nfs/dbraw/zinc/12/60/00/843126000.db2.gz ZJIXDYKGCVSPNO-KKUMJFAQSA-N 2 0 338.452 -0.759 20 0 EBADRP CCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)CC1 ZINC001344866831 843341187 /nfs/dbraw/zinc/34/11/87/843341187.db2.gz HTKPNQICMQSVMW-HIFRSBDPSA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+](C)CCCCC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001345795330 843448416 /nfs/dbraw/zinc/44/84/16/843448416.db2.gz YWFWVOZSGXMJGE-HUUCEWRRSA-N 2 0 342.484 -0.252 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ncccc1F ZINC001346423273 843518145 /nfs/dbraw/zinc/51/81/45/843518145.db2.gz HSSUSXUDUMRGAY-UHFFFAOYSA-N 2 0 339.415 -0.211 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001346700217 843541517 /nfs/dbraw/zinc/54/15/17/843541517.db2.gz KVNCWZXTTSGINJ-UHFFFAOYSA-N 2 0 326.485 -0.166 20 0 EBADRP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC001347037858 843581588 /nfs/dbraw/zinc/58/15/88/843581588.db2.gz MNJNKLNQPZGJSI-OAHLLOKOSA-N 2 0 340.468 -0.424 20 0 EBADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001347107824 843592709 /nfs/dbraw/zinc/59/27/09/843592709.db2.gz DBTPXGXZNSWDHN-XHSDSOJGSA-N 3 0 325.501 -0.237 20 0 EBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC001348334594 843684196 /nfs/dbraw/zinc/68/41/96/843684196.db2.gz WVXQORNOIHKSMX-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP [NH3+]CCN(CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC001349398060 843899097 /nfs/dbraw/zinc/89/90/97/843899097.db2.gz CNRMEXSSBSBRKO-GOSISDBHSA-N 2 0 345.491 -0.047 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)cn1 ZINC001349615895 843921517 /nfs/dbraw/zinc/92/15/17/843921517.db2.gz WACSQJDJEDCZMN-VHDGCEQUSA-N 2 0 348.451 -0.160 20 0 EBADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001349890298 843946652 /nfs/dbraw/zinc/94/66/52/843946652.db2.gz QLHHSGSOESUESL-YJNKXOJESA-N 2 0 338.452 -0.747 20 0 EBADRP C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001496148198 1125875366 /nfs/dbraw/zinc/87/53/66/1125875366.db2.gz CAYMHGWAHGBUDU-ZDUSSCGKSA-N 2 0 348.513 -0.344 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)Cn1ccnc1C ZINC001481314867 1125971005 /nfs/dbraw/zinc/97/10/05/1125971005.db2.gz NLJVETMKINMMMF-NSHDSACASA-N 2 0 338.412 -0.526 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[C@H]2CC[NH+](CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001481431570 1125988047 /nfs/dbraw/zinc/98/80/47/1125988047.db2.gz IQPDIJVLPDENQM-FRRDWIJNSA-N 2 0 339.440 -0.650 20 0 EBADRP C[C@H](O)C[NH+]1CCN(CCN(C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001481472195 1125998884 /nfs/dbraw/zinc/99/88/84/1125998884.db2.gz WGXIYQPMWVDDDY-HNNXBMFYSA-N 2 0 326.485 -0.215 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CCNS(C)(=O)=O)C1 ZINC001671379742 1126017714 /nfs/dbraw/zinc/01/77/14/1126017714.db2.gz ZAVJAMNNNARZCY-OLZOCXBDSA-N 2 0 332.470 -0.932 20 0 EBADRP CN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)CC1CC[NH+](C)CC1 ZINC001691500116 1126030169 /nfs/dbraw/zinc/03/01/69/1126030169.db2.gz JWPZEWDXUBSELQ-UHFFFAOYSA-N 2 0 340.468 -0.375 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CCNS(C)(=O)=O)CCCC1 ZINC001481891932 1126065245 /nfs/dbraw/zinc/06/52/45/1126065245.db2.gz KJMPIIGYEXGXRD-ZDUSSCGKSA-N 2 0 346.497 -0.352 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H](C)C(=O)NC(N)=O)[NH+](C)C ZINC001482058320 1126074511 /nfs/dbraw/zinc/07/45/11/1126074511.db2.gz WIEFVPXTXZDLAF-UPJWGTAASA-N 2 0 341.456 -0.263 20 0 EBADRP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001482111076 1126079408 /nfs/dbraw/zinc/07/94/08/1126079408.db2.gz ZTKYGQDYQAPQHF-OLZOCXBDSA-N 2 0 338.456 -0.175 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCN(C)S(C)(=O)=O)[NH+](C)C ZINC001482065022 1126075196 /nfs/dbraw/zinc/07/51/96/1126075196.db2.gz DFWBZGUWTQZXDP-ZIAGYGMSSA-N 2 0 348.513 -0.201 20 0 EBADRP C[C@@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482283744 1126119024 /nfs/dbraw/zinc/11/90/24/1126119024.db2.gz PRLDWZBLILVVDI-JSGCOSHPSA-N 2 0 346.497 -0.686 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(=O)NC)CC[N@@H+]1C ZINC001482290140 1126120525 /nfs/dbraw/zinc/12/05/25/1126120525.db2.gz YZLLMKHSCULYJV-FRRDWIJNSA-N 2 0 341.456 -0.391 20 0 EBADRP C[C@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001482297521 1126122245 /nfs/dbraw/zinc/12/22/45/1126122245.db2.gz CRHWBSXEUTXTKS-KGLIPLIRSA-N 2 0 340.468 -0.330 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001482300096 1126123061 /nfs/dbraw/zinc/12/30/61/1126123061.db2.gz XMMOKSLBUILMMR-ZIAGYGMSSA-N 2 0 348.513 -0.154 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001482300095 1126123098 /nfs/dbraw/zinc/12/30/98/1126123098.db2.gz XMMOKSLBUILMMR-UONOGXRCSA-N 2 0 348.513 -0.154 20 0 EBADRP C[C@H](C[NH2+][C@H](C)C(=O)NC(N)=O)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482317050 1126129771 /nfs/dbraw/zinc/12/97/71/1126129771.db2.gz NHKGCTNBPFJBCI-VXGBXAGGSA-N 2 0 341.456 -0.119 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001482330988 1126133147 /nfs/dbraw/zinc/13/31/47/1126133147.db2.gz NGSLJZUVNFWLMH-NSHDSACASA-N 2 0 329.445 -0.404 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N1CCOCC1 ZINC001482354879 1126137065 /nfs/dbraw/zinc/13/70/65/1126137065.db2.gz ANZPHPUMEFWVKC-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001482427593 1126148098 /nfs/dbraw/zinc/14/80/98/1126148098.db2.gz BZOZJPHOTJFRMS-CHWSQXEVSA-N 2 0 341.456 -0.390 20 0 EBADRP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1nnc2n1CCOC2 ZINC001482552864 1126196122 /nfs/dbraw/zinc/19/61/22/1126196122.db2.gz AXKJKNVJPHUDAE-ZDUSSCGKSA-N 2 0 338.456 -0.010 20 0 EBADRP Cc1cc(C)n(CC[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)n1 ZINC001482728431 1126268573 /nfs/dbraw/zinc/26/85/73/1126268573.db2.gz GPZIDARGKAUQHT-DLBZAZTESA-N 2 0 349.479 -0.092 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCN1CCCC1=O ZINC001482743465 1126274711 /nfs/dbraw/zinc/27/47/11/1126274711.db2.gz YWXMKVTYLBZBNN-UONOGXRCSA-N 2 0 326.441 -0.840 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCCC2)CCC1 ZINC001482737690 1126272061 /nfs/dbraw/zinc/27/20/61/1126272061.db2.gz SAHQVPCIDYQUKD-CYBMUJFWSA-N 2 0 326.441 -0.840 20 0 EBADRP C[NH+](C)CC1(C(=O)NC[C@H](O)C[NH2+]C[C@@H]2CCNC(=O)CC2)CC1 ZINC001482763696 1126281158 /nfs/dbraw/zinc/28/11/58/1126281158.db2.gz ZPBAPFBFWWQSQY-UONOGXRCSA-N 2 0 340.468 -0.689 20 0 EBADRP C[N@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1)CC(C)(C)C ZINC001482769109 1126283083 /nfs/dbraw/zinc/28/30/83/1126283083.db2.gz GMFXENNSRUDSTR-ZDUSSCGKSA-N 2 0 328.457 -0.737 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001482775534 1126285338 /nfs/dbraw/zinc/28/53/38/1126285338.db2.gz RUWPBLZNAQOFCP-HUUCEWRRSA-N 2 0 340.468 -0.405 20 0 EBADRP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C1(C[NH+](C)C)CC1)C(=O)NC(C)(C)C ZINC001482761845 1126280422 /nfs/dbraw/zinc/28/04/22/1126280422.db2.gz HXPZJULDJNBWAU-CHWSQXEVSA-N 2 0 342.484 -0.302 20 0 EBADRP CC[C@H](C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001482787883 1126291150 /nfs/dbraw/zinc/29/11/50/1126291150.db2.gz XJHOUTIARHCRAC-QWHCGFSZSA-N 2 0 326.441 -0.936 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]C[C@H](O)CC(F)(F)F ZINC001482793930 1126292595 /nfs/dbraw/zinc/29/25/95/1126292595.db2.gz UAAVDTCVRJAWGN-MNOVXSKESA-N 2 0 327.347 -0.538 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cnns1 ZINC001482798501 1126294678 /nfs/dbraw/zinc/29/46/78/1126294678.db2.gz HVFZJQRJLPGYMK-DGCLKSJQSA-N 2 0 327.454 -0.021 20 0 EBADRP C[C@H](CC[NH2+]Cc1ncnn1CCF)NC(=O)[C@@H]1CN(C)CCO1 ZINC001482822192 1126296317 /nfs/dbraw/zinc/29/63/17/1126296317.db2.gz UKVVVKOVVOMVAZ-OLZOCXBDSA-N 2 0 342.419 -0.437 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCN(CC)C(=O)C1([NH+](C)C)CCC1 ZINC001482932468 1126302393 /nfs/dbraw/zinc/30/23/93/1126302393.db2.gz ZNXIJCDLHOLLGQ-UHFFFAOYSA-N 2 0 341.456 -0.246 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NC1CCOCC1 ZINC001483042874 1126317827 /nfs/dbraw/zinc/31/78/27/1126317827.db2.gz CAWLAMSZYACXDW-XYBNCVKDSA-N 2 0 338.452 -0.362 20 0 EBADRP CN(CC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001691602723 1126324961 /nfs/dbraw/zinc/32/49/61/1126324961.db2.gz CRJQURRILOTOTH-UONOGXRCSA-N 2 0 346.497 -0.732 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001691622969 1126326496 /nfs/dbraw/zinc/32/64/96/1126326496.db2.gz GONOHFYPUGQXQG-UHFFFAOYSA-N 2 0 343.472 -0.001 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NC(=O)NC ZINC001483132960 1126342255 /nfs/dbraw/zinc/34/22/55/1126342255.db2.gz JVFYVSOXFHCWOR-NEPJUHHUSA-N 2 0 327.429 -0.589 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001483236686 1126383996 /nfs/dbraw/zinc/38/39/96/1126383996.db2.gz PKWQVWWRIUJUMJ-QWHCGFSZSA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001409645158 1126387269 /nfs/dbraw/zinc/38/72/69/1126387269.db2.gz OLQQRVYTJOUWFC-MNOVXSKESA-N 2 0 325.413 -0.898 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)N1CCO[C@@H](C)C1)NC(=O)CCC[NH+](C)C ZINC001483260348 1126411381 /nfs/dbraw/zinc/41/13/81/1126411381.db2.gz BAWAWWXYLRYLTN-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@@H](C[NH2+]C[C@H]1CCS(=O)(=O)C1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483260264 1126411409 /nfs/dbraw/zinc/41/14/09/1126411409.db2.gz GARHDJDAMCCCOA-QWHCGFSZSA-N 2 0 331.482 -0.143 20 0 EBADRP C[C@H](C(=O)N[C@@H](C)C[NH2+]CCNS(C)(=O)=O)[NH+]1CCCCCC1 ZINC001483272416 1126412534 /nfs/dbraw/zinc/41/25/34/1126412534.db2.gz WNMSHYJEMPDXOT-UONOGXRCSA-N 2 0 348.513 -0.106 20 0 EBADRP C[C@@H](CN(C)CC(=O)Nc1nncs1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483418009 1126426247 /nfs/dbraw/zinc/42/62/47/1126426247.db2.gz RJHIGRHWUIEVRI-WDEREUQCSA-N 2 0 340.453 -0.135 20 0 EBADRP CN(CC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C(=O)C1CC[NH+](C)CC1 ZINC001493681876 1126455846 /nfs/dbraw/zinc/45/58/46/1126455846.db2.gz QNNIYHAUMJEPIW-ZDUSSCGKSA-N 2 0 331.482 -0.189 20 0 EBADRP C[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001483910479 1126490319 /nfs/dbraw/zinc/49/03/19/1126490319.db2.gz ZQKZDGQJQDKZBP-NWDGAFQWSA-N 2 0 339.440 -0.508 20 0 EBADRP C[C@]1(C[NH2+]CCS(C)(=O)=O)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001484121660 1126507640 /nfs/dbraw/zinc/50/76/40/1126507640.db2.gz GSHGASBFRIDKDA-OAHLLOKOSA-N 2 0 343.493 -0.045 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@]2(C)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nc1=O ZINC001484084441 1126505685 /nfs/dbraw/zinc/50/56/85/1126505685.db2.gz WOZFHOAEYOOMIT-LRDDRELGSA-N 2 0 336.440 -0.469 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCOCCO)C1 ZINC001484229863 1126532263 /nfs/dbraw/zinc/53/22/63/1126532263.db2.gz DDYBQDOSTASDAN-HOCLYGCPSA-N 2 0 329.441 -0.967 20 0 EBADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001484378285 1126566382 /nfs/dbraw/zinc/56/63/82/1126566382.db2.gz WNEJZPGRUSIRBS-YPMHNXCESA-N 2 0 339.440 -0.793 20 0 EBADRP COCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001484436104 1126578001 /nfs/dbraw/zinc/57/80/01/1126578001.db2.gz UHLLXFOYFWBNDW-DOTOQJQBSA-N 2 0 325.453 -0.082 20 0 EBADRP C[C@H]([NH2+]CCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(C)(C)C ZINC001484499742 1126599109 /nfs/dbraw/zinc/59/91/09/1126599109.db2.gz DGKYKKOXAIJMHQ-KBPBESRZSA-N 2 0 342.484 -0.348 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](CC[NH2+]CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001484520489 1126600880 /nfs/dbraw/zinc/60/08/80/1126600880.db2.gz HOHAGKPOHSGXCS-FRRDWIJNSA-N 2 0 339.440 -0.650 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@H](C[NH2+]CC(=O)NC(C)(C)C)C2)C1 ZINC001484699299 1126622572 /nfs/dbraw/zinc/62/25/72/1126622572.db2.gz OEALIENQWWQULG-UONOGXRCSA-N 2 0 340.468 -0.330 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCO1 ZINC001484695782 1126624653 /nfs/dbraw/zinc/62/46/53/1126624653.db2.gz IRSVTWYAOGXAAM-CABCVRRESA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCC[N@H+](C)CC(=O)NC(N)=O ZINC001484769583 1126630498 /nfs/dbraw/zinc/63/04/98/1126630498.db2.gz XRSCZIBPGBBKKP-STQMWFEESA-N 2 0 341.456 -0.166 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@](CO)([NH2+]CC(N)=O)C2)C1 ZINC001484847422 1126641552 /nfs/dbraw/zinc/64/15/52/1126641552.db2.gz GRHODMKFZIAMMT-PBHICJAKSA-N 2 0 340.468 -0.463 20 0 EBADRP CCN(C)C(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001484852698 1126642780 /nfs/dbraw/zinc/64/27/80/1126642780.db2.gz CVQKICSBWJRTBM-KRWDZBQOSA-N 2 0 340.468 -0.496 20 0 EBADRP CCn1nncc1C[NH2+][C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001484846605 1126643605 /nfs/dbraw/zinc/64/36/05/1126643605.db2.gz DNLXPZVDSOIMQW-MRXNPFEDSA-N 2 0 338.456 -0.307 20 0 EBADRP CC[N@H+](C)CCC(=O)NC1(C[NH2+][C@@H]2CCCNC2=O)CCOCC1 ZINC001484870441 1126647637 /nfs/dbraw/zinc/64/76/37/1126647637.db2.gz CYKIPXNXYBDWRO-CQSZACIVSA-N 2 0 340.468 -0.138 20 0 EBADRP CNC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001484954978 1126658363 /nfs/dbraw/zinc/65/83/63/1126658363.db2.gz PRVJARYIXSUABV-CHWSQXEVSA-N 2 0 326.441 -0.984 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001485107393 1126675210 /nfs/dbraw/zinc/67/52/10/1126675210.db2.gz PZZJAPYGSWQBTF-PNESKVBLSA-N 2 0 339.440 -0.732 20 0 EBADRP O=C(NC1CC(C[NH2+]CCN2C(=O)CCC2=O)C1)C12CC[NH+](CC1)C2 ZINC001485107548 1126675367 /nfs/dbraw/zinc/67/53/67/1126675367.db2.gz WKICVFOLGLJGJU-UHFFFAOYSA-N 2 0 348.447 -0.284 20 0 EBADRP C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001485227096 1126682370 /nfs/dbraw/zinc/68/23/70/1126682370.db2.gz UUOUNHINYRUVKE-QWHCGFSZSA-N 2 0 341.456 -0.070 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCNS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001485685093 1126798448 /nfs/dbraw/zinc/79/84/48/1126798448.db2.gz QJBUJLIPFLVBOA-AAVRWANBSA-N 2 0 346.497 -0.640 20 0 EBADRP O=C(N[C@H]1C[C@H](C[NH2+]C[C@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001485701916 1126809636 /nfs/dbraw/zinc/80/96/36/1126809636.db2.gz BIVKTCQGLDZEIH-JYJNAYRXSA-N 2 0 347.463 -0.176 20 0 EBADRP CS(=O)(=O)NCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001649062922 1126867295 /nfs/dbraw/zinc/86/72/95/1126867295.db2.gz YAVQIVOMCHAKFT-OKILXGFUSA-N 2 0 344.481 -0.647 20 0 EBADRP CC1(C)CC[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)[NH2+]C1 ZINC001649041051 1126862193 /nfs/dbraw/zinc/86/21/93/1126862193.db2.gz DITODHLASXSXJX-ZOWXZIJZSA-N 2 0 329.466 -0.485 20 0 EBADRP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001485955221 1126921988 /nfs/dbraw/zinc/92/19/88/1126921988.db2.gz HTASBEJYDPHNGL-NEPJUHHUSA-N 2 0 339.440 -0.637 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001485961099 1126940855 /nfs/dbraw/zinc/94/08/55/1126940855.db2.gz QKJXBEUGTQBEME-LBPRGKRZSA-N 2 0 341.456 -0.249 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCc2cnn(C)c2)CC[N@@H+]1C ZINC001486028187 1126998920 /nfs/dbraw/zinc/99/89/20/1126998920.db2.gz SVHFEQJUXPKVEZ-BPUTZDHNSA-N 2 0 337.468 -0.240 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@]2(NC(=O)CCN3CCOCC3)CCC[C@H]12 ZINC001486147798 1127048239 /nfs/dbraw/zinc/04/82/39/1127048239.db2.gz QLEUWNSJCSOBFK-WMLDXEAASA-N 2 0 338.452 -0.432 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001486127102 1127048931 /nfs/dbraw/zinc/04/89/31/1127048931.db2.gz HKALKHBPZHDYQC-QWHCGFSZSA-N 2 0 339.440 -0.493 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001486127100 1127049230 /nfs/dbraw/zinc/04/92/30/1127049230.db2.gz HKALKHBPZHDYQC-OLZOCXBDSA-N 2 0 339.440 -0.493 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001486284014 1127081218 /nfs/dbraw/zinc/08/12/18/1127081218.db2.gz FJHKRBQWOGQGNS-AWEZNQCLSA-N 2 0 347.419 -0.199 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001486284350 1127081300 /nfs/dbraw/zinc/08/13/00/1127081300.db2.gz HGWPTOYVUNEZQI-KBPBESRZSA-N 2 0 340.468 -0.594 20 0 EBADRP CN(C[C@H](O)C[NH2+]C[C@@H]1CCc2ncnn21)C(=O)C[NH+]1CCCC1 ZINC001486317761 1127120175 /nfs/dbraw/zinc/12/01/75/1127120175.db2.gz QLTVEOSZWHJIKX-UONOGXRCSA-N 2 0 336.440 -0.730 20 0 EBADRP CN(C[C@H](O)C[N@H+](C)C[C@@H]1CCOC1)C(=O)C12CC[NH+](CC1)C2 ZINC001486356507 1127150509 /nfs/dbraw/zinc/15/05/09/1127150509.db2.gz QMFDABOSDAWNBS-LSDHHAIUSA-N 2 0 325.453 -0.130 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001486480532 1127184531 /nfs/dbraw/zinc/18/45/31/1127184531.db2.gz JNZLQZXMWJNXPA-UHFFFAOYSA-N 2 0 337.424 -0.883 20 0 EBADRP CN(CCOCC[NH2+]Cc1cnnn1C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001486494830 1127188185 /nfs/dbraw/zinc/18/81/85/1127188185.db2.gz ZNAZKCUCSYEBLF-HNNXBMFYSA-N 2 0 338.456 -0.136 20 0 EBADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001487179667 1127422343 /nfs/dbraw/zinc/42/23/43/1127422343.db2.gz OLISSFXORUXKFN-ZIAGYGMSSA-N 2 0 340.468 -0.521 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H](O)CNC(=O)[C@H]1CCC[NH+]1C ZINC001410079328 1127545354 /nfs/dbraw/zinc/54/53/54/1127545354.db2.gz FXQUBJKXRAUBEO-QWHCGFSZSA-N 2 0 328.457 -0.596 20 0 EBADRP C[C@@H](C(=O)NC[C@@H](O)CNC(=O)CC[NH+](C)C)[NH+]1CCCCCC1 ZINC001410106483 1127568998 /nfs/dbraw/zinc/56/89/98/1127568998.db2.gz FAXGHCJAMOUWHI-GJZGRUSLSA-N 2 0 342.484 -0.204 20 0 EBADRP CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)CC1CC[NH+](C)CC1)[NH+](C)C ZINC001410117916 1127581762 /nfs/dbraw/zinc/58/17/62/1127581762.db2.gz QKBCWLINIGCQEL-GJZGRUSLSA-N 2 0 342.484 -0.348 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001410125226 1127590137 /nfs/dbraw/zinc/59/01/37/1127590137.db2.gz IMMVMUUTZIDWOE-OLZOCXBDSA-N 2 0 326.441 -0.984 20 0 EBADRP CC[C@H](C(=O)NC[C@H](O)CNC(=O)C[N@@H+]1CCC(C)(C)C1)[NH+](C)C ZINC001410150431 1127628304 /nfs/dbraw/zinc/62/83/04/1127628304.db2.gz OWHIAYXKOHSPJN-ZIAGYGMSSA-N 2 0 342.484 -0.348 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001410188158 1127635280 /nfs/dbraw/zinc/63/52/80/1127635280.db2.gz XTJDMDIMXFRKTE-DDHJBXDOSA-N 2 0 325.413 -0.994 20 0 EBADRP CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O)[NH+]1CCCC1 ZINC001410512644 1127732017 /nfs/dbraw/zinc/73/20/17/1127732017.db2.gz OCLKPQCFNDBEDN-TZMCWYRMSA-N 2 0 341.456 -0.262 20 0 EBADRP Cc1c(C(=O)NC[C@H](CO)[NH2+][C@@H]2CCCNC2=O)ccc2c[nH+]cn21 ZINC001410662026 1127797566 /nfs/dbraw/zinc/79/75/66/1127797566.db2.gz FOJKSRRNNJTZTP-IUODEOHRSA-N 2 0 345.403 -0.398 20 0 EBADRP Cn1nccc1CC[NH2+][C@@H](CO)CNC(=O)CC1CC[NH+](C)CC1 ZINC001410736053 1127851933 /nfs/dbraw/zinc/85/19/33/1127851933.db2.gz WQRGFPFTKFXRPM-OAHLLOKOSA-N 2 0 337.468 -0.239 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001410745361 1127857552 /nfs/dbraw/zinc/85/75/52/1127857552.db2.gz APDIDRXJGTXHND-KGLIPLIRSA-N 2 0 328.457 -0.738 20 0 EBADRP CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCCCCC1)[NH+](C)C ZINC001410760311 1127867104 /nfs/dbraw/zinc/86/71/04/1127867104.db2.gz YMVUUAFSEHFOMQ-LSDHHAIUSA-N 2 0 342.484 -0.204 20 0 EBADRP CCN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)C[NH+]2CCC(C)CC2)C1=O ZINC001410767452 1127872320 /nfs/dbraw/zinc/87/23/20/1127872320.db2.gz XHPDMILOWOLOSM-CABCVRRESA-N 2 0 340.468 -0.594 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NC(=O)NC)C[C@@H]1C ZINC001410854171 1127917634 /nfs/dbraw/zinc/91/76/34/1127917634.db2.gz BTDKSVBYEFQPPT-RYUDHWBXSA-N 2 0 327.429 -0.637 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001411095513 1128014066 /nfs/dbraw/zinc/01/40/66/1128014066.db2.gz LADQFTHRUPVQJE-XHDPSFHLSA-N 2 0 332.420 -0.907 20 0 EBADRP CN(C[C@H](O)C[NH2+][C@H]1CCCNC1=O)C(=O)C[N@H+](C)CC(C)(C)C ZINC001411105775 1128017706 /nfs/dbraw/zinc/01/77/06/1128017706.db2.gz UWDMFTSGFFVZGK-KGLIPLIRSA-N 2 0 342.484 -0.348 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001411128219 1128027035 /nfs/dbraw/zinc/02/70/35/1128027035.db2.gz NKEUASXYSOTSJH-HNNXBMFYSA-N 2 0 342.484 -0.395 20 0 EBADRP CCN1CCO[C@H](C(=O)N(C)C[C@@H](O)CNCc2ccon2)C1 ZINC001411132183 1128027982 /nfs/dbraw/zinc/02/79/82/1128027982.db2.gz XPUUETXGLNVWFF-KBPBESRZSA-N 2 0 326.397 -0.696 20 0 EBADRP COc1cc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)on1 ZINC001411129685 1128029254 /nfs/dbraw/zinc/02/92/54/1128029254.db2.gz SAPHJLZNNZYOGN-NEPJUHHUSA-N 2 0 326.397 -0.456 20 0 EBADRP COc1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)on1 ZINC001411129696 1128029318 /nfs/dbraw/zinc/02/93/18/1128029318.db2.gz SAPHJLZNNZYOGN-NWDGAFQWSA-N 2 0 326.397 -0.456 20 0 EBADRP COc1ncccc1C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001411139282 1128033473 /nfs/dbraw/zinc/03/34/73/1128033473.db2.gz NAYIBVBKUPXQSJ-LSDHHAIUSA-N 2 0 336.436 -0.049 20 0 EBADRP CN(C[C@H](O)C[N@H+](C)[C@H]1CCNC1=O)C(=O)CC[NH+]1CCCCC1 ZINC001411187431 1128085184 /nfs/dbraw/zinc/08/51/84/1128085184.db2.gz LVKNXPQJOSTADL-CABCVRRESA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)C1CC([NH2+]CC(=O)N(C)C)C1 ZINC001411254522 1128105166 /nfs/dbraw/zinc/10/51/66/1128105166.db2.gz ZCCCQWOKNJYBBC-WLYUNCDWSA-N 2 0 340.468 -0.378 20 0 EBADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203483 1128215010 /nfs/dbraw/zinc/21/50/10/1128215010.db2.gz SHJZDGXMPWEWSO-PBHICJAKSA-N 2 0 334.464 -0.049 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2C[N@H+](CCO)C[C@@]2(C)C1 ZINC001092276488 1128220565 /nfs/dbraw/zinc/22/05/65/1128220565.db2.gz PSFTWLRQTUGKGW-UXLLHSPISA-N 2 0 325.453 -0.273 20 0 EBADRP O=C(NCCC[NH2+]C[C@@H](O)Cn1cccn1)[C@@]12CC[N@H+](C1)CCC2 ZINC001174767150 1128348009 /nfs/dbraw/zinc/34/80/09/1128348009.db2.gz ACPNHNQZESZVDO-WBVHZDCISA-N 2 0 335.452 -0.174 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187842026 1128355732 /nfs/dbraw/zinc/35/57/32/1128355732.db2.gz IWAQDPKAQHSFDO-CYBMUJFWSA-N 2 0 332.470 -0.788 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187842379 1128355777 /nfs/dbraw/zinc/35/57/77/1128355777.db2.gz LRHWRJFZYGAKKU-OAHLLOKOSA-N 2 0 326.441 -0.575 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001488019701 1128532922 /nfs/dbraw/zinc/53/29/22/1128532922.db2.gz YPWIWGIJYLVHEZ-ZDUSSCGKSA-N 2 0 328.457 -0.596 20 0 EBADRP CN(C[C@@H](O)CNC(=O)CCC[NH+](C)C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001488376611 1128714595 /nfs/dbraw/zinc/71/45/95/1128714595.db2.gz MYYFTXYXIUVYEU-GJZGRUSLSA-N 2 0 342.484 -0.252 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001488403237 1128741195 /nfs/dbraw/zinc/74/11/95/1128741195.db2.gz QTBSRDVOIWCSNH-GJZGRUSLSA-N 2 0 342.484 -0.254 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](O)CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001488383174 1128760126 /nfs/dbraw/zinc/76/01/26/1128760126.db2.gz QOIKTLNDVPJCTL-CABCVRRESA-N 2 0 342.484 -0.396 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001488815997 1128850367 /nfs/dbraw/zinc/85/03/67/1128850367.db2.gz GOWRTCOUKDDIRH-AVGNSLFASA-N 2 0 339.440 -0.589 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CCC[C@@H]([NH+](CCO)CCO)C2)CC1 ZINC001489168567 1128915751 /nfs/dbraw/zinc/91/57/51/1128915751.db2.gz KQSNLSKIGRPFJD-OAHLLOKOSA-N 2 0 343.468 -0.625 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001489596031 1129022969 /nfs/dbraw/zinc/02/29/69/1129022969.db2.gz BBSCQDVDGBXBGM-CABCVRRESA-N 2 0 340.468 -0.642 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1O ZINC001489617822 1129029731 /nfs/dbraw/zinc/02/97/31/1129029731.db2.gz IPCXGEQLNFXWJO-KGLIPLIRSA-N 2 0 340.468 -0.500 20 0 EBADRP O=C(NCCN1CC[NH+](C[C@H]2CCOC2)CC1)C12CC[NH+](CC1)C2 ZINC001490508982 1129215526 /nfs/dbraw/zinc/21/55/26/1129215526.db2.gz AJSYFLTZIPYZCU-MRXNPFEDSA-N 2 0 336.480 -0.148 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCN1CC[NH+](C[C@@H](C)O)CC1 ZINC001490517426 1129219812 /nfs/dbraw/zinc/21/98/12/1129219812.db2.gz XOAGLVCSWBNQSK-CVEARBPZSA-N 2 0 326.485 -0.025 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C2CC2)nc1=O ZINC001490664011 1129242332 /nfs/dbraw/zinc/24/23/32/1129242332.db2.gz CAZQJPIAYLNVSJ-UONOGXRCSA-N 2 0 348.451 -0.565 20 0 EBADRP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)NC(=O)CCN1CCOCC1 ZINC001412536321 1129553936 /nfs/dbraw/zinc/55/39/36/1129553936.db2.gz ICGLMHKLKBMMTN-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001412930587 1129791440 /nfs/dbraw/zinc/79/14/40/1129791440.db2.gz FEOXSZLYNJBTTI-ZIAGYGMSSA-N 2 0 340.468 -0.452 20 0 EBADRP C[C@@H](C(=O)N[C@@H](CO)CNC(=O)CC[NH+](C)C)[NH+]1CCCCCC1 ZINC001412964256 1129821152 /nfs/dbraw/zinc/82/11/52/1129821152.db2.gz FBPOKCIQBFXQKZ-LSDHHAIUSA-N 2 0 342.484 -0.204 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001412994205 1129844218 /nfs/dbraw/zinc/84/42/18/1129844218.db2.gz VTQORDOVQUZKLB-MGPQQGTHSA-N 2 0 328.457 -0.738 20 0 EBADRP CN(C[C@H](O)CNC(=O)C[NH+]1CCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001413288533 1129989879 /nfs/dbraw/zinc/98/98/79/1129989879.db2.gz TVKCQQKIHCERKO-CABCVRRESA-N 2 0 340.468 -0.498 20 0 EBADRP CN(C[C@@H](O)CNC(=O)C[NH+]1CCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001413288537 1129989974 /nfs/dbraw/zinc/98/99/74/1129989974.db2.gz TVKCQQKIHCERKO-GJZGRUSLSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCOC2)C1 ZINC001493234828 1130141958 /nfs/dbraw/zinc/14/19/58/1130141958.db2.gz UPPORGRGIPVNBY-HUUCEWRRSA-N 2 0 340.468 -0.471 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCOC2)C1 ZINC001493234819 1130142071 /nfs/dbraw/zinc/14/20/71/1130142071.db2.gz UPPORGRGIPVNBY-CABCVRRESA-N 2 0 340.468 -0.471 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001491022736 1130293507 /nfs/dbraw/zinc/29/35/07/1130293507.db2.gz GMSDTBVKHZPDSX-FRRDWIJNSA-N 2 0 339.440 -0.447 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001491080761 1130315026 /nfs/dbraw/zinc/31/50/26/1130315026.db2.gz UNFVLTQDADFQBP-FIQHERPVSA-N 2 0 325.413 -0.981 20 0 EBADRP CN(CC[NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1)S(C)(=O)=O ZINC001491361585 1130413840 /nfs/dbraw/zinc/41/38/40/1130413840.db2.gz QZDXOWDPMBDJNC-UHFFFAOYSA-N 2 0 348.513 -0.154 20 0 EBADRP COC(=O)c1csc(CN2CC[NH2+]CCNCC[NH2+]CC2)n1 ZINC001235875477 1130531251 /nfs/dbraw/zinc/53/12/51/1130531251.db2.gz PYMYDBYKWNYKRD-UHFFFAOYSA-N 2 0 327.454 -0.486 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3cn4c(n3)CNCC4)C[C@H]1C2 ZINC001236023610 1130531593 /nfs/dbraw/zinc/53/15/93/1130531593.db2.gz RWIWTFAKWXYUAT-PXMRGAAZSA-N 2 0 345.447 -0.183 20 0 EBADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001491563488 1130533732 /nfs/dbraw/zinc/53/37/32/1130533732.db2.gz GYALMWVXOQKWKN-LLVKDONJSA-N 2 0 339.440 -0.589 20 0 EBADRP CC[C@@H](O)C[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001251768433 1130536591 /nfs/dbraw/zinc/53/65/91/1130536591.db2.gz AJUWMKWAMKWJEU-OAHLLOKOSA-N 2 0 326.485 -0.073 20 0 EBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001491567164 1130553074 /nfs/dbraw/zinc/55/30/74/1130553074.db2.gz DEKMBBHVWFEULU-LLVKDONJSA-N 2 0 339.440 -0.589 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](CC[NH2+]CC(N)=O)C1 ZINC001280295984 1130557679 /nfs/dbraw/zinc/55/76/79/1130557679.db2.gz LNZPJXFECFYDGK-KGLIPLIRSA-N 2 0 326.441 -0.732 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001280295168 1130557920 /nfs/dbraw/zinc/55/79/20/1130557920.db2.gz HLCOVHFNDKQARS-GFCCVEGCSA-N 2 0 325.413 -0.895 20 0 EBADRP C[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)CCN1CCNC1=O ZINC001492293325 1130634747 /nfs/dbraw/zinc/63/47/47/1130634747.db2.gz LMXMJUKTJHDJDM-CQSZACIVSA-N 2 0 325.457 -0.066 20 0 EBADRP COCC[N@@H+]1CCCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001357487027 1131096429 /nfs/dbraw/zinc/09/64/29/1131096429.db2.gz PAZJCGDEFRCBQB-AWEZNQCLSA-N 2 0 326.441 -0.636 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001413975831 1131182204 /nfs/dbraw/zinc/18/22/04/1131182204.db2.gz KHPXIKGYDKGDLI-ZIAGYGMSSA-N 2 0 326.441 -0.888 20 0 EBADRP O=C(CC[N@H+]1CC[C@H](F)C1)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001361948295 1131485385 /nfs/dbraw/zinc/48/53/85/1131485385.db2.gz JAUOXMRSAXBRMA-JKSUJKDBSA-N 2 0 342.459 -0.057 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C2=C3CCCN=C3NN2)C[C@H]1C[NH+](C)C ZINC001362784105 1131672223 /nfs/dbraw/zinc/67/22/23/1131672223.db2.gz WNHNKIXRGCORNF-CHWSQXEVSA-N 2 0 334.468 -0.262 20 0 EBADRP CN(C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1CCN2CCO[C@H]1C2 ZINC001364217536 1132241792 /nfs/dbraw/zinc/24/17/92/1132241792.db2.gz KKVWCZMLNXBMAN-JJXSEGSLSA-N 2 0 338.452 -0.036 20 0 EBADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](CO)[C@@H](CCO)C2)CC1 ZINC001364530790 1132351971 /nfs/dbraw/zinc/35/19/71/1132351971.db2.gz LOJAXTOIAHOHQZ-LSDHHAIUSA-N 2 0 327.469 -0.102 20 0 EBADRP CN1CC[C@@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1=O ZINC001364598449 1132371306 /nfs/dbraw/zinc/37/13/06/1132371306.db2.gz OBWULQYVZDBKFU-MGPQQGTHSA-N 2 0 325.457 -0.402 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cn(CC(N)=O)nn1 ZINC001364673613 1132389636 /nfs/dbraw/zinc/38/96/36/1132389636.db2.gz TXCYZJIYORNODD-HNNXBMFYSA-N 2 0 337.472 -0.389 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001365892929 1132870857 /nfs/dbraw/zinc/87/08/57/1132870857.db2.gz VWQYGFQWGLRUNO-CYBMUJFWSA-N 2 0 341.456 -0.246 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]CC(=O)Nc2cnccn2)C2CC2)C1 ZINC001366075215 1132990811 /nfs/dbraw/zinc/99/08/11/1132990811.db2.gz GCDCEHHTTMWFGD-ZIAGYGMSSA-N 2 0 346.435 -0.149 20 0 EBADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1)[NH+](C)C ZINC001366125621 1133017703 /nfs/dbraw/zinc/01/77/03/1133017703.db2.gz PWLWBLTWVOKWRY-AJNGGQMLSA-N 2 0 340.468 -0.284 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001366153079 1133029920 /nfs/dbraw/zinc/02/99/20/1133029920.db2.gz DURLKOSWODKGEG-LXTVHRRPSA-N 2 0 338.452 -0.387 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001366194435 1133050643 /nfs/dbraw/zinc/05/06/43/1133050643.db2.gz JBRMWGOSDPZXHE-GFCCVEGCSA-N 2 0 327.429 -0.778 20 0 EBADRP CNC(=O)C[NH2+]C1CCC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001366243984 1133072188 /nfs/dbraw/zinc/07/21/88/1133072188.db2.gz QGERLUBLVYUWLD-NFOMZHRRSA-N 2 0 340.468 -0.282 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001366246984 1133072878 /nfs/dbraw/zinc/07/28/78/1133072878.db2.gz GRFMFPPWPNVSMA-UHFFFAOYSA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@H]([NH2+]C1CCC(NC(=O)CCC[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001366248066 1133072948 /nfs/dbraw/zinc/07/29/48/1133072948.db2.gz KWBANACXMXXZST-HIFPTAJRSA-N 2 0 341.456 -0.071 20 0 EBADRP CC[C@H]([NH2+][C@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1)C(N)=O ZINC001366288552 1133085989 /nfs/dbraw/zinc/08/59/89/1133085989.db2.gz CHAKNALQLXEWAR-OLZOCXBDSA-N 2 0 328.457 -0.297 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001366325444 1133099698 /nfs/dbraw/zinc/09/96/98/1133099698.db2.gz RRWHTZXATHXOOJ-QWRGUYRKSA-N 2 0 327.429 -0.733 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001366370850 1133115308 /nfs/dbraw/zinc/11/53/08/1133115308.db2.gz YDQWKPQZSAPUKE-JSGCOSHPSA-N 2 0 341.456 -0.343 20 0 EBADRP Cn1ccc(N2CC[C@@H]([NH2+][C@H]3CCN(C(=O)CC[NH+](C)C)C3)C2=O)n1 ZINC001366386333 1133123813 /nfs/dbraw/zinc/12/38/13/1133123813.db2.gz RJGXFMZRNINTOM-UONOGXRCSA-N 2 0 348.451 -0.332 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[C@H](C)[NH2+]CC(=O)N(C)C ZINC001366512490 1133162885 /nfs/dbraw/zinc/16/28/85/1133162885.db2.gz WMDNSIUDQLIPKF-KGLIPLIRSA-N 2 0 328.457 -0.473 20 0 EBADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)Nc1nncs1 ZINC001366513009 1133163369 /nfs/dbraw/zinc/16/33/69/1133163369.db2.gz XXXDLXOOTLWXPO-WDEREUQCSA-N 2 0 340.453 -0.087 20 0 EBADRP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366687780 1133249595 /nfs/dbraw/zinc/24/95/95/1133249595.db2.gz HAYBVMHKHMBOOQ-LBPRGKRZSA-N 2 0 339.440 -0.778 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001366703429 1133263443 /nfs/dbraw/zinc/26/34/43/1133263443.db2.gz RGSJTGNFNYCSNP-NWDGAFQWSA-N 2 0 325.413 -0.896 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001366777733 1133294008 /nfs/dbraw/zinc/29/40/08/1133294008.db2.gz SGHWBPPDFTTYCE-LLVKDONJSA-N 2 0 327.429 -0.780 20 0 EBADRP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001366848700 1133317761 /nfs/dbraw/zinc/31/77/61/1133317761.db2.gz ATYDSQOZVOISIF-QWHCGFSZSA-N 2 0 339.440 -0.778 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001366899173 1133351784 /nfs/dbraw/zinc/35/17/84/1133351784.db2.gz ZSSYWYDEVCTDMV-JYJNAYRXSA-N 2 0 325.453 -0.084 20 0 EBADRP CC(C)[C@@H](C(=O)NCC1C[NH+](C[C@H](O)Cn2cccn2)C1)[NH+](C)C ZINC001366983349 1133401983 /nfs/dbraw/zinc/40/19/83/1133401983.db2.gz AVWVOMSTQXXTKT-HOTGVXAUSA-N 2 0 337.468 -0.122 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001367164582 1133491410 /nfs/dbraw/zinc/49/14/10/1133491410.db2.gz ILDNRDMHNRYJRS-GFCCVEGCSA-N 2 0 339.440 -0.588 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001367221261 1133504675 /nfs/dbraw/zinc/50/46/75/1133504675.db2.gz PMLUMWKQSDCSFP-VXGBXAGGSA-N 2 0 345.419 -0.558 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001367270141 1133521800 /nfs/dbraw/zinc/52/18/00/1133521800.db2.gz IEQOKNMLGWUOJM-AVGNSLFASA-N 2 0 341.456 -0.486 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001367381810 1133572500 /nfs/dbraw/zinc/57/25/00/1133572500.db2.gz MLPIWOPXOOFASC-NEPJUHHUSA-N 2 0 327.429 -0.780 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001367390512 1133575721 /nfs/dbraw/zinc/57/57/21/1133575721.db2.gz ZCRNIJCOONXNMS-STQMWFEESA-N 2 0 341.456 -0.118 20 0 EBADRP CC(C)[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001367467780 1133595653 /nfs/dbraw/zinc/59/56/53/1133595653.db2.gz DIEQEIDNADIVNR-CHWSQXEVSA-N 2 0 341.456 -0.214 20 0 EBADRP CCN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001367576529 1133643642 /nfs/dbraw/zinc/64/36/42/1133643642.db2.gz HLBSJIHHJIHWPQ-ZIAGYGMSSA-N 2 0 326.441 -0.842 20 0 EBADRP CCn1nncc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001367581933 1133651007 /nfs/dbraw/zinc/65/10/07/1133651007.db2.gz MYJGSEOTCUBTKY-HUUCEWRRSA-N 2 0 338.456 -0.263 20 0 EBADRP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001367585226 1133655026 /nfs/dbraw/zinc/65/50/26/1133655026.db2.gz TWZNMCVYBOSAIL-CYBMUJFWSA-N 2 0 328.457 -0.546 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001367593723 1133666525 /nfs/dbraw/zinc/66/65/25/1133666525.db2.gz LMQORQGHTGNVOK-CHWSQXEVSA-N 2 0 326.441 -0.936 20 0 EBADRP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)C23CCC[NH+]2CCC3)nn1C ZINC001367609092 1133688557 /nfs/dbraw/zinc/68/85/57/1133688557.db2.gz QKHCWIZEKBHWLC-HNNXBMFYSA-N 2 0 335.452 -0.076 20 0 EBADRP CC1CCN(C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001367623354 1133709507 /nfs/dbraw/zinc/70/95/07/1133709507.db2.gz KEEKIHBNCAQOIE-CABCVRRESA-N 2 0 340.468 -0.737 20 0 EBADRP COc1cc(C[NH2+]C[C@H](O)CNC(=O)C[C@@H]2CC[N@H+](C)C2)ccn1 ZINC001367625655 1133713088 /nfs/dbraw/zinc/71/30/88/1133713088.db2.gz REHQTNRTJXGIHB-GJZGRUSLSA-N 2 0 336.436 -0.001 20 0 EBADRP COc1cc(C[NH2+]C[C@@H](O)CNC(=O)C[C@H]2CC[N@H+](C)C2)ccn1 ZINC001367625660 1133713113 /nfs/dbraw/zinc/71/31/13/1133713113.db2.gz REHQTNRTJXGIHB-HUUCEWRRSA-N 2 0 336.436 -0.001 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](O)C[NH2+]CC1CCOCC1 ZINC001367629569 1133719273 /nfs/dbraw/zinc/71/92/73/1133719273.db2.gz XPYLOWIRMQIOAD-ZBFHGGJFSA-N 2 0 343.468 -0.552 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N1CCO[C@@H](C)C1)[NH+](C)C ZINC001367675089 1133741494 /nfs/dbraw/zinc/74/14/94/1133741494.db2.gz GSRROFFJGFLEKQ-YCPHGPKFSA-N 2 0 342.484 -0.086 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC[C@@H]1CCOC1)NC(=O)C1CC[NH+](C)CC1 ZINC001367695843 1133750203 /nfs/dbraw/zinc/75/02/03/1133750203.db2.gz MPOUAMSCHZFQPO-KGLIPLIRSA-N 2 0 340.468 -0.425 20 0 EBADRP C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001367764600 1133776228 /nfs/dbraw/zinc/77/62/28/1133776228.db2.gz VTTFBQQQMLOHDR-GXTWGEPZSA-N 2 0 336.440 -0.617 20 0 EBADRP C[C@H](C[N@H+](C)C[C@H](O)CN1CCCC1=O)NC(=O)[C@H]1CCC[NH+]1C ZINC001367838748 1133807650 /nfs/dbraw/zinc/80/76/50/1133807650.db2.gz KTTAQLKFDVMKGZ-QLFBSQMISA-N 2 0 340.468 -0.500 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001367902409 1133832331 /nfs/dbraw/zinc/83/23/31/1133832331.db2.gz YXAQIVWDUMVVIY-VXGBXAGGSA-N 2 0 325.413 -0.979 20 0 EBADRP C[NH+]1CCC(CC(=O)NCC2([NH2+]CCN3CCNC3=O)CC2)CC1 ZINC001368029104 1133904096 /nfs/dbraw/zinc/90/40/96/1133904096.db2.gz HHEXWKKSWHAUIR-UHFFFAOYSA-N 2 0 337.468 -0.018 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C1(CNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001368030408 1133905349 /nfs/dbraw/zinc/90/53/49/1133905349.db2.gz SCPDWAXKDIOWCP-LBPRGKRZSA-N 2 0 326.441 -0.530 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001368110016 1133942342 /nfs/dbraw/zinc/94/23/42/1133942342.db2.gz PQAOGJZOXSSOGU-ZIAGYGMSSA-N 2 0 331.482 -0.047 20 0 EBADRP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2)C(=O)NC(N)=O ZINC001368127008 1133950496 /nfs/dbraw/zinc/95/04/96/1133950496.db2.gz PDZQOTNKARBGIX-NWDGAFQWSA-N 2 0 337.424 -0.754 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCC2(C)CC[NH+](CC(N)=O)CC2)CC1 ZINC001368209110 1133990941 /nfs/dbraw/zinc/99/09/41/1133990941.db2.gz VRMFLWQGXNZHMI-UHFFFAOYSA-N 2 0 340.468 -0.199 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CC(=O)NC3CC3)CCOCC2)C1 ZINC001368242430 1134012231 /nfs/dbraw/zinc/01/22/31/1134012231.db2.gz UBRLBOFTTGLUHP-CYBMUJFWSA-N 2 0 338.452 -0.528 20 0 EBADRP COCC[N@@H+]1CC[C@@](O)(CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001368246865 1134020245 /nfs/dbraw/zinc/02/02/45/1134020245.db2.gz OGGPCGPJMVZSGI-MRXNPFEDSA-N 2 0 339.440 -0.742 20 0 EBADRP NC(=O)CN1CC[C@@](O)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001368273931 1134081378 /nfs/dbraw/zinc/08/13/78/1134081378.db2.gz FKTAZCJMGBTTLY-MRXNPFEDSA-N 2 0 326.441 -0.709 20 0 EBADRP C[C@H]([NH2+]CC(=O)NC(N)=O)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001368341682 1134155580 /nfs/dbraw/zinc/15/55/80/1134155580.db2.gz QYBIBARHKDDNIF-RYUDHWBXSA-N 2 0 339.440 -0.508 20 0 EBADRP C[C@@H](O)C[NH2+]C1CCN(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001368360975 1134164905 /nfs/dbraw/zinc/16/49/05/1134164905.db2.gz MCQQWVDEZOFIEV-CQSZACIVSA-N 2 0 326.485 -0.121 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N(CCO)CC[NH2+][C@@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001368399429 1134205132 /nfs/dbraw/zinc/20/51/32/1134205132.db2.gz RNKCEJNDVJMXLX-SOUVJXGZSA-N 2 0 340.468 -0.642 20 0 EBADRP CN1CCC[C@H]([NH2+]CCN(CCO)C(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001368413643 1134212614 /nfs/dbraw/zinc/21/26/14/1134212614.db2.gz SBCOFWAWKLKDBN-GJZGRUSLSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001368414714 1134213430 /nfs/dbraw/zinc/21/34/30/1134213430.db2.gz HAVSTRKGKIWULS-CHWSQXEVSA-N 2 0 341.456 -0.260 20 0 EBADRP CN(CCC[N@H+](C)CCN1CCNC1=O)C(=O)[C@H]1CCC[NH+]1C ZINC001368529907 1134276273 /nfs/dbraw/zinc/27/62/73/1134276273.db2.gz QTKHMVIAENFHBE-CQSZACIVSA-N 2 0 325.457 -0.114 20 0 EBADRP CNC(=O)NC(=O)C[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001368568430 1134295639 /nfs/dbraw/zinc/29/56/39/1134295639.db2.gz WSUIJRKOAPRWGZ-LBPRGKRZSA-N 2 0 327.429 -0.826 20 0 EBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCO1)C(N)=O ZINC001368578341 1134301148 /nfs/dbraw/zinc/30/11/48/1134301148.db2.gz JMLIIFMGYVFAEV-ZIAGYGMSSA-N 2 0 340.468 -0.058 20 0 EBADRP C[NH+]1CCC(CC(=O)N2CCC[C@](CO)([NH2+]CC(N)=O)C2)CC1 ZINC001368621438 1134332010 /nfs/dbraw/zinc/33/20/10/1134332010.db2.gz KJMAHIPWNFIFTO-INIZCTEOSA-N 2 0 326.441 -0.853 20 0 EBADRP CCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001368629284 1134341596 /nfs/dbraw/zinc/34/15/96/1134341596.db2.gz KYYDESBZJCFTRT-XJKSGUPXSA-N 2 0 328.457 -0.594 20 0 EBADRP CC[C@H](C(=O)NC1(C[NH2+][C@H]2CCN(C)C2=O)CCOCC1)[NH+](C)C ZINC001368636131 1134347563 /nfs/dbraw/zinc/34/75/63/1134347563.db2.gz IGSFPRJJKRLSRM-UONOGXRCSA-N 2 0 340.468 -0.188 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC(O)(C[NH2+]Cc2cn(C)nn2)CC1 ZINC001368679824 1134376794 /nfs/dbraw/zinc/37/67/94/1134376794.db2.gz AAXDMHMHXIMINC-UHFFFAOYSA-N 2 0 338.456 -0.400 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001368710985 1134401535 /nfs/dbraw/zinc/40/15/35/1134401535.db2.gz XJSUILCTRTXMDR-RYUDHWBXSA-N 2 0 327.429 -0.589 20 0 EBADRP CC[C@@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)CC[NH+](C)C)CCO2 ZINC001368757143 1134420139 /nfs/dbraw/zinc/42/01/39/1134420139.db2.gz ZICOTKAWWRLKJV-AWEZNQCLSA-N 2 0 340.468 -0.105 20 0 EBADRP CC[C@@H](C(=O)NC1(CO)CC[NH+](C[C@H](O)COC)CC1)[NH+](C)C ZINC001368771884 1134433337 /nfs/dbraw/zinc/43/33/37/1134433337.db2.gz LRDYUHMPXGJAMZ-KBPBESRZSA-N 2 0 331.457 -0.723 20 0 EBADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]CCN(C)S(C)(=O)=O ZINC001368909588 1134481533 /nfs/dbraw/zinc/48/15/33/1134481533.db2.gz VZSWCBZJGZWBJL-STQMWFEESA-N 2 0 346.497 -0.544 20 0 EBADRP COC[C@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001369125825 1134577999 /nfs/dbraw/zinc/57/79/99/1134577999.db2.gz MZAVNSXMJFNEPF-FPCVCCKLSA-N 2 0 337.464 -0.084 20 0 EBADRP COC[C@@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001369132696 1134581949 /nfs/dbraw/zinc/58/19/49/1134581949.db2.gz MNFVAGSDBSUOAN-ZQDZILKHSA-N 2 0 325.453 -0.228 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001369156655 1134598037 /nfs/dbraw/zinc/59/80/37/1134598037.db2.gz QHNABBVREQSURA-QKDCVEJESA-N 2 0 335.452 -0.599 20 0 EBADRP CNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001369266090 1134635434 /nfs/dbraw/zinc/63/54/34/1134635434.db2.gz UKLZLOKNOBYMNX-KGLIPLIRSA-N 2 0 342.484 -0.084 20 0 EBADRP C[C@@H]1CCCCN1C(=O)C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C ZINC001369345630 1134693478 /nfs/dbraw/zinc/69/34/78/1134693478.db2.gz HSMFUXVQVYJQIP-KGLIPLIRSA-N 2 0 328.457 -0.594 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC001369359179 1134709915 /nfs/dbraw/zinc/70/99/15/1134709915.db2.gz FBOLEUPSSJXYKM-CJNGLKHVSA-N 2 0 348.447 -0.306 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](CO)[NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC001369359186 1134710157 /nfs/dbraw/zinc/71/01/57/1134710157.db2.gz FBOLEUPSSJXYKM-CZUORRHYSA-N 2 0 348.447 -0.306 20 0 EBADRP C[C@@H]([NH2+][C@@H](CO)CNC(=O)C[NH+]1CCC(C)CC1)C(=O)N(C)C ZINC001369361168 1134713342 /nfs/dbraw/zinc/71/33/42/1134713342.db2.gz KKIAPPDSYIGHDA-ZIAGYGMSSA-N 2 0 328.457 -0.738 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)[NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC001369384318 1134746276 /nfs/dbraw/zinc/74/62/76/1134746276.db2.gz TYGKNLAPNWCSHE-ZBFHGGJFSA-N 2 0 348.447 -0.306 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)[NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC001369384313 1134746815 /nfs/dbraw/zinc/74/68/15/1134746815.db2.gz TYGKNLAPNWCSHE-HOCLYGCPSA-N 2 0 348.447 -0.306 20 0 EBADRP C[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001369467347 1134815170 /nfs/dbraw/zinc/81/51/70/1134815170.db2.gz CJKQKBHRSVMJAO-KGLIPLIRSA-N 2 0 331.457 -0.866 20 0 EBADRP CN(C[C@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)C[N@H+](C)CC(C)(C)C ZINC001369476904 1134838092 /nfs/dbraw/zinc/83/80/92/1134838092.db2.gz TXDXJOYOSKCKON-KGLIPLIRSA-N 2 0 342.484 -0.396 20 0 EBADRP CC[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N1CCCC1)[NH+](C)C ZINC001369486935 1134857115 /nfs/dbraw/zinc/85/71/15/1134857115.db2.gz WZKNQFRYSUMIFN-UONOGXRCSA-N 2 0 328.457 -0.642 20 0 EBADRP CCN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)CCN2CCOCC2)C1 ZINC001369581420 1134947603 /nfs/dbraw/zinc/94/76/03/1134947603.db2.gz AMPDPLVFRVGPAZ-UHFFFAOYSA-N 2 0 340.468 -0.234 20 0 EBADRP CCNC(=O)C[NH2+]C1CC(N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001369580822 1134947802 /nfs/dbraw/zinc/94/78/02/1134947802.db2.gz ZYTJSYXXCKBSLZ-UHFFFAOYSA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+]1CCC(C(=O)NCCN2CC[NH+](CCn3cccn3)CC2)CC1 ZINC001369915887 1135091440 /nfs/dbraw/zinc/09/14/40/1135091440.db2.gz OEKYYPITWBQGTF-UHFFFAOYSA-N 2 0 348.495 -0.041 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@H](C[N@H+](C)CC(N)=O)C1 ZINC001370315686 1135299585 /nfs/dbraw/zinc/29/95/85/1135299585.db2.gz PMSPUUNPJKWUGC-HUUCEWRRSA-N 2 0 340.468 -0.390 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001370356518 1135315830 /nfs/dbraw/zinc/31/58/30/1135315830.db2.gz OOHCTIYYEFHMBD-STQMWFEESA-N 2 0 339.440 -0.493 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1)[NH+](C)C ZINC001370362539 1135318778 /nfs/dbraw/zinc/31/87/78/1135318778.db2.gz JEYMBBXQYZESAP-SOUVJXGZSA-N 2 0 340.468 -0.330 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001370629267 1135434394 /nfs/dbraw/zinc/43/43/94/1135434394.db2.gz UOZAPHCVYKMYQQ-QLFBSQMISA-N 2 0 338.452 -0.387 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001370677503 1135485689 /nfs/dbraw/zinc/48/56/89/1135485689.db2.gz ZZWJNXNILJMCFK-KGLIPLIRSA-N 2 0 340.468 -0.594 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001370713895 1135535919 /nfs/dbraw/zinc/53/59/19/1135535919.db2.gz PKKDCJUHJKCINQ-LOWVWBTDSA-N 2 0 327.429 -0.735 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001370717899 1135540625 /nfs/dbraw/zinc/54/06/25/1135540625.db2.gz SQYBSFLWBWHMKD-ZNMIVQPWSA-N 2 0 338.452 -0.698 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001370718608 1135542070 /nfs/dbraw/zinc/54/20/70/1135542070.db2.gz RIGIMMDFNYBEGB-MGPQQGTHSA-N 2 0 328.457 -0.740 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001370720973 1135545019 /nfs/dbraw/zinc/54/50/19/1135545019.db2.gz ZOEZRGFGRNELCS-GJZGRUSLSA-N 2 0 340.468 -0.738 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@H](CO)NC(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001370728261 1135556531 /nfs/dbraw/zinc/55/65/31/1135556531.db2.gz HSERAVWKMZYWSH-ZIAGYGMSSA-N 2 0 340.468 -0.594 20 0 EBADRP C[N@H+](CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCCC[NH+]1C)C1CCC1 ZINC001370749975 1135589077 /nfs/dbraw/zinc/58/90/77/1135589077.db2.gz WFSKJXHCUUDKPA-HIFRSBDPSA-N 2 0 340.468 -0.452 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@@H](CO)NC(=O)C1([NH+](C)C)CCC1)[NH+](C)C ZINC001370758040 1135600883 /nfs/dbraw/zinc/60/08/83/1135600883.db2.gz QZYAMBPSLXXPTG-UONOGXRCSA-N 2 0 342.484 -0.350 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+](CCNS(C)(=O)=O)C2)C1 ZINC001370787766 1135632149 /nfs/dbraw/zinc/63/21/49/1135632149.db2.gz JBBGTHDEBCDTLZ-ZIAGYGMSSA-N 2 0 346.497 -0.685 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H](CO)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001370813520 1135654311 /nfs/dbraw/zinc/65/43/11/1135654311.db2.gz XIJYLANUEJUIJF-DZGCQCFKSA-N 2 0 340.468 -0.737 20 0 EBADRP CN(C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)CCC[NH+](C)C ZINC001371017707 1135781297 /nfs/dbraw/zinc/78/12/97/1135781297.db2.gz GUZKDBGAJOOCKW-ZIAGYGMSSA-N 2 0 328.457 -0.785 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001371059084 1135829010 /nfs/dbraw/zinc/82/90/10/1135829010.db2.gz VUBIANUYBCOTTE-HUUCEWRRSA-N 2 0 342.484 -0.300 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001371059091 1135829286 /nfs/dbraw/zinc/82/92/86/1135829286.db2.gz VUBIANUYBCOTTE-LSDHHAIUSA-N 2 0 342.484 -0.300 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CCN(C)S(C)(=O)=O)CC[N@@H+]1C ZINC001371184800 1135859165 /nfs/dbraw/zinc/85/91/65/1135859165.db2.gz HUVNTVMPSCOQLQ-MELADBBJSA-N 2 0 348.513 -0.298 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001371240878 1135870655 /nfs/dbraw/zinc/87/06/55/1135870655.db2.gz QDWRSIHKWNCEHE-RYUDHWBXSA-N 2 0 327.429 -0.589 20 0 EBADRP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001371322876 1135888472 /nfs/dbraw/zinc/88/84/72/1135888472.db2.gz VMTUPFDRSDUSEI-YPMHNXCESA-N 2 0 339.440 -0.447 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001371469687 1135928295 /nfs/dbraw/zinc/92/82/95/1135928295.db2.gz KSDZLSNBDVEPBD-QLFBSQMISA-N 2 0 340.468 -0.500 20 0 EBADRP CC[C@H](C(=O)N[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1O)[NH+](C)C ZINC001371471158 1135929331 /nfs/dbraw/zinc/92/93/31/1135929331.db2.gz YKAUMSBISWQAHI-YIYPIFLZSA-N 2 0 328.457 -0.645 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001371527205 1135952258 /nfs/dbraw/zinc/95/22/58/1135952258.db2.gz AJOQSJUBSYROIL-KGLIPLIRSA-N 2 0 326.441 -0.890 20 0 EBADRP C[NH+](C)CCCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001371531386 1135955868 /nfs/dbraw/zinc/95/58/68/1135955868.db2.gz UZEANPPQBDJDFC-RDBSUJKOSA-N 2 0 326.441 -0.890 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[C@H]2CC[NH+](C)C2)C[C@@H]1O ZINC001371540417 1135962400 /nfs/dbraw/zinc/96/24/00/1135962400.db2.gz FUSXLKNGCGKIGE-KFWWJZLASA-N 2 0 340.468 -0.642 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@H](C[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001371613883 1135984567 /nfs/dbraw/zinc/98/45/67/1135984567.db2.gz ICHNVEWXLMNFNF-HZPDHXFCSA-N 2 0 335.452 -0.222 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@@H](C[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001371613877 1135984676 /nfs/dbraw/zinc/98/46/76/1135984676.db2.gz ICHNVEWXLMNFNF-HOTGVXAUSA-N 2 0 335.452 -0.222 20 0 EBADRP C[C@H](CCNC(=O)COC1CC[NH+](C)CC1)[NH2+][C@@H]1CCCNC1=O ZINC001371862645 1136043944 /nfs/dbraw/zinc/04/39/44/1136043944.db2.gz NHBWXHGPHMMHSD-UKRRQHHQSA-N 2 0 340.468 -0.140 20 0 EBADRP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C[C@H](O)COC1CCOCC1 ZINC001372223696 1136145499 /nfs/dbraw/zinc/14/54/99/1136145499.db2.gz KFABSXPNHTUCLJ-GJZGRUSLSA-N 2 0 343.468 -0.457 20 0 EBADRP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C1)[NH+](C)C ZINC001372657880 1136260550 /nfs/dbraw/zinc/26/05/50/1136260550.db2.gz DYGBARHXYTWRRE-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+]1CCC(C(=O)NCC[N@H+](CCN2CCNC2=O)C2CC2)CC1 ZINC001372861991 1136307499 /nfs/dbraw/zinc/30/74/99/1136307499.db2.gz OCMZPIUNINXLLL-UHFFFAOYSA-N 2 0 337.468 -0.066 20 0 EBADRP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(=O)NC(=O)NC1CC1 ZINC001372926674 1136328396 /nfs/dbraw/zinc/32/83/96/1136328396.db2.gz SMJPFVNQVMLUSY-WCQYABFASA-N 2 0 339.440 -0.495 20 0 EBADRP C[C@@H]([NH2+]CCN(C)C(=O)CCC[NH+]1CCCC1)C(=O)NC(N)=O ZINC001372994933 1136348985 /nfs/dbraw/zinc/34/89/85/1136348985.db2.gz VEWLEPOEGVCSFS-GFCCVEGCSA-N 2 0 327.429 -0.506 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001373735929 1136550531 /nfs/dbraw/zinc/55/05/31/1136550531.db2.gz CDKCNVJEZUUHKN-CHWSQXEVSA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)N1CCOCC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001374247753 1136657410 /nfs/dbraw/zinc/65/74/10/1136657410.db2.gz UGQHNDSFJBFBMU-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001374381151 1136680751 /nfs/dbraw/zinc/68/07/51/1136680751.db2.gz GAUSJJNAQHTKBL-QWHCGFSZSA-N 2 0 338.456 -0.223 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001374385422 1136681073 /nfs/dbraw/zinc/68/10/73/1136681073.db2.gz PBAKXWBFKGVJJL-OLZOCXBDSA-N 2 0 339.440 -0.636 20 0 EBADRP CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001374433880 1136687558 /nfs/dbraw/zinc/68/75/58/1136687558.db2.gz LIHUJXDTWCDOBW-QWHCGFSZSA-N 2 0 338.456 -0.319 20 0 EBADRP CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)CCN1CCNC1=O)[NH+](C)C ZINC001374501379 1136703413 /nfs/dbraw/zinc/70/34/13/1136703413.db2.gz ABHQYRZQVQICIF-AWEZNQCLSA-N 2 0 327.473 -0.012 20 0 EBADRP Cc1nnsc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001374606315 1136742071 /nfs/dbraw/zinc/74/20/71/1136742071.db2.gz SEJKSYDBIMZQMU-QWHCGFSZSA-N 2 0 339.465 -0.245 20 0 EBADRP CN1CCC[C@@H]([NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001374614660 1136748204 /nfs/dbraw/zinc/74/82/04/1136748204.db2.gz HEEVHMOZFFBLOD-UONOGXRCSA-N 2 0 326.441 -0.842 20 0 EBADRP COc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)on1 ZINC001374635022 1136764611 /nfs/dbraw/zinc/76/46/11/1136764611.db2.gz GPBOCUUFUVIKMT-AVGNSLFASA-N 2 0 340.424 -0.020 20 0 EBADRP CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001374641319 1136769348 /nfs/dbraw/zinc/76/93/48/1136769348.db2.gz ZUIZEBLAEXWECH-OLZOCXBDSA-N 2 0 326.441 -0.984 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(C)(C)C)[NH+](C)C ZINC001374672435 1136791460 /nfs/dbraw/zinc/79/14/60/1136791460.db2.gz NCQGCOHDEOKTRO-OCCSQVGLSA-N 2 0 330.473 -0.446 20 0 EBADRP CN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)CC[NH+]2CCCCC2)C1=O ZINC001374680198 1136797611 /nfs/dbraw/zinc/79/76/11/1136797611.db2.gz BQLYVLBGYXFASC-KBPBESRZSA-N 2 0 326.441 -0.840 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](O)C[NH2+]Cc1ccns1 ZINC001374681795 1136798283 /nfs/dbraw/zinc/79/82/83/1136798283.db2.gz GBLCWEDIWVTVDI-OLZOCXBDSA-N 2 0 342.465 -0.322 20 0 EBADRP C[C@@H](CC[NH2+][C@@H]1CCN(C)C1=O)NC(=O)COC1CC[NH+](C)CC1 ZINC001374705462 1136808694 /nfs/dbraw/zinc/80/86/94/1136808694.db2.gz OONIITIIPBLEGW-DZGCQCFKSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC[C@@H]1CCCO1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001374797882 1136835161 /nfs/dbraw/zinc/83/51/61/1136835161.db2.gz FWSMFTPJWSTLLU-HZSPNIEDSA-N 2 0 326.441 -0.530 20 0 EBADRP C[C@@H](C[N@H+](C)CCN1CCNC1=O)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001375053654 1136901968 /nfs/dbraw/zinc/90/19/68/1136901968.db2.gz JWVVCWNOKAWJFK-DZGCQCFKSA-N 2 0 337.468 -0.210 20 0 EBADRP CN1CCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)[C@H](C[NH3+])C1 ZINC000643577711 375910777 /nfs/dbraw/zinc/91/07/77/375910777.db2.gz RBGBDGALFWQFDN-LSDHHAIUSA-N 2 0 337.468 -0.826 20 0 EBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CCO1 ZINC000643552801 375898131 /nfs/dbraw/zinc/89/81/31/375898131.db2.gz KDWQROLSYYAVSX-CHWSQXEVSA-N 2 0 326.441 -0.496 20 0 EBADRP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CCC[C@@H](Cn3ccnn3)C2)C1=O ZINC000533549475 376004770 /nfs/dbraw/zinc/00/47/70/376004770.db2.gz WTOFLMFWPRDHFL-KGLIPLIRSA-N 2 0 334.424 -0.321 20 0 EBADRP C[C@H]([NH3+])CNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000642735282 376058374 /nfs/dbraw/zinc/05/83/74/376058374.db2.gz XEYQVNPARATNKD-HNNXBMFYSA-N 2 0 347.463 -0.222 20 0 EBADRP C[C@@H](NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])C(C)(C)C[NH+](C)C ZINC000557292598 376169129 /nfs/dbraw/zinc/16/91/29/376169129.db2.gz WQABBQVEPHNCET-CHWSQXEVSA-N 2 0 327.473 -0.820 20 0 EBADRP CC(C)N1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000569197716 376212166 /nfs/dbraw/zinc/21/21/66/376212166.db2.gz CCYQICMHQYUYIB-UHFFFAOYSA-N 2 0 341.500 -0.509 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000584172874 376218626 /nfs/dbraw/zinc/21/86/26/376218626.db2.gz IYNKNGUOUYPVDA-RBSFLKMASA-N 2 0 341.500 -0.382 20 0 EBADRP CCc1cc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)on1 ZINC000558100380 376222422 /nfs/dbraw/zinc/22/24/22/376222422.db2.gz OOKSXBLSLFSPAF-UHFFFAOYSA-N 2 0 339.440 -0.195 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCNC(=O)CC2CCCC2)CC1 ZINC000569351086 376408132 /nfs/dbraw/zinc/40/81/32/376408132.db2.gz MTUFVSPISXIMRN-MRXNPFEDSA-N 2 0 326.485 -0.119 20 0 EBADRP C[C@@H](NC(=O)C[C@@H]1C[NH2+]CCO1)C(=O)NCC[NH+]1CCCCC1 ZINC000566195521 376413961 /nfs/dbraw/zinc/41/39/61/376413961.db2.gz WVETXBIYCKIGLQ-ZIAGYGMSSA-N 2 0 326.441 -0.528 20 0 EBADRP CC(C)[NH+](CCNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)C(C)C ZINC000642855562 376430397 /nfs/dbraw/zinc/43/03/97/376430397.db2.gz XGWYRWGXKFLLIP-KBPBESRZSA-N 2 0 328.457 -0.204 20 0 EBADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)[NH+](C)C1 ZINC000410478631 376469410 /nfs/dbraw/zinc/46/94/10/376469410.db2.gz OFBMGVXOHAQKDY-KKUMJFAQSA-N 2 0 340.468 -0.284 20 0 EBADRP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000600729732 376486948 /nfs/dbraw/zinc/48/69/48/376486948.db2.gz XJVBUVCGZHTLFV-SECBINFHSA-N 2 0 328.335 -0.069 20 0 EBADRP C[C@H]([NH3+])CNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000642909525 376704298 /nfs/dbraw/zinc/70/42/98/376704298.db2.gz ORIYCXIJFNXMOQ-AWEZNQCLSA-N 2 0 340.468 -0.199 20 0 EBADRP CCC[NH2+]CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000642917462 376749749 /nfs/dbraw/zinc/74/97/49/376749749.db2.gz VWIACPWMJYTEOP-OAHLLOKOSA-N 2 0 339.484 -0.659 20 0 EBADRP COCC[N@H+](C)C[C@@H](O)CN1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000566415308 376788725 /nfs/dbraw/zinc/78/87/25/376788725.db2.gz AVHQZNFFOAVYIP-MRXNPFEDSA-N 2 0 345.484 -0.915 20 0 EBADRP CC[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@H](C)O1 ZINC000583426774 376795550 /nfs/dbraw/zinc/79/55/50/376795550.db2.gz RCGGMEMAJDUBHT-HUUCEWRRSA-N 2 0 342.484 -0.036 20 0 EBADRP CC[N@H+](C)CCNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000363496296 376818108 /nfs/dbraw/zinc/81/81/08/376818108.db2.gz MPXYMELPAMGYFX-AWEZNQCLSA-N 2 0 326.441 -0.765 20 0 EBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC2)C1=O ZINC000408472076 376942989 /nfs/dbraw/zinc/94/29/89/376942989.db2.gz UFPYOXOGDXGIFV-HZPDHXFCSA-N 2 0 349.479 -0.812 20 0 EBADRP CN(CC1(CO)CC1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000562692445 376983775 /nfs/dbraw/zinc/98/37/75/376983775.db2.gz KNJVGECCJQNUGH-UHFFFAOYSA-N 2 0 328.457 -0.831 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000569677930 377087331 /nfs/dbraw/zinc/08/73/31/377087331.db2.gz KWPMOJDDCWEQSC-CABCVRRESA-N 3 0 341.500 -0.428 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000569677950 377088823 /nfs/dbraw/zinc/08/88/23/377088823.db2.gz KWPMOJDDCWEQSC-LSDHHAIUSA-N 3 0 341.500 -0.428 20 0 EBADRP COCC[N@H+](C)C[C@@H](O)CN1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000569891106 377181416 /nfs/dbraw/zinc/18/14/16/377181416.db2.gz PHOONYLBMFAVSG-HZPDHXFCSA-N 2 0 342.484 -0.836 20 0 EBADRP CN(CCN1CCOC(C)(C)C1)C(=O)NCCN1CC[NH2+]CC1 ZINC000570147064 377211975 /nfs/dbraw/zinc/21/19/75/377211975.db2.gz JEJWSVVYNZOQKH-UHFFFAOYSA-N 2 0 327.473 -0.356 20 0 EBADRP CC[NH+]1CCN(c2ccc(C[NH2+]CCC(=O)NC(N)=O)cn2)CC1 ZINC000570201706 377217998 /nfs/dbraw/zinc/21/79/98/377217998.db2.gz CYIKVSZEKUSSJE-UHFFFAOYSA-N 2 0 334.424 -0.102 20 0 EBADRP C[C@H](CC[NH3+])NC(=O)C(=O)NCCN1CCN(c2ccccc2)CC1 ZINC000570265973 377224725 /nfs/dbraw/zinc/22/47/25/377224725.db2.gz ULYRNHDXMHPTJH-OAHLLOKOSA-N 2 0 347.463 -0.222 20 0 EBADRP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000572643326 377235092 /nfs/dbraw/zinc/23/50/92/377235092.db2.gz RGQAJDUXJGGRKL-ZIAGYGMSSA-N 2 0 347.415 -0.310 20 0 EBADRP O=C(C[C@H]1CSCC[NH2+]1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000570568748 377255863 /nfs/dbraw/zinc/25/58/63/377255863.db2.gz HWBBRQPTXLQKHQ-KGLIPLIRSA-N 2 0 340.493 -0.248 20 0 EBADRP COC(=O)CN1CCC[C@H](CNC(=O)COC2CC[NH2+]CC2)C1 ZINC000570041270 377200005 /nfs/dbraw/zinc/20/00/05/377200005.db2.gz QMSDZYKOFWJHHJ-CYBMUJFWSA-N 2 0 327.425 -0.244 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000570044759 377202276 /nfs/dbraw/zinc/20/22/76/377202276.db2.gz ZDTAVFHRTVDMSO-BFHYXJOUSA-N 2 0 328.457 -0.202 20 0 EBADRP CC1CC[NH+](C[C@H](O)CNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000601351179 377536831 /nfs/dbraw/zinc/53/68/31/377536831.db2.gz UWHPWSGTYNWFLV-HZPDHXFCSA-N 2 0 341.500 -0.376 20 0 EBADRP C[C@H]1C[NH+](CCCNC(=O)NCC[N@@H+]2CC[C@H](O)C2)C[C@H](C)O1 ZINC000636518742 377543133 /nfs/dbraw/zinc/54/31/33/377543133.db2.gz BDRSEJYNVLKQCE-KKUMJFAQSA-N 2 0 328.457 -0.149 20 0 EBADRP C[NH+]1CCN(C(C)(C)CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000636523488 377551110 /nfs/dbraw/zinc/55/11/10/377551110.db2.gz KNZHUSFXYISQFL-CQSZACIVSA-N 2 0 327.473 -0.622 20 0 EBADRP COC(=O)[C@H]1CN(C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)CC[N@H+](C)C1 ZINC000591175048 377701555 /nfs/dbraw/zinc/70/15/55/377701555.db2.gz YBEJXHKUTQKNMO-MCIONIFRSA-N 2 0 342.440 -0.548 20 0 EBADRP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593735939 377910341 /nfs/dbraw/zinc/91/03/41/377910341.db2.gz AIRMZZYNFWMMHF-IHRRRGAJSA-N 2 0 327.425 -0.116 20 0 EBADRP CC(C)[C@H](CNC(=O)c1cn(CCC[NH3+])nn1)N1CC[NH+](C)CC1 ZINC000563077766 377977451 /nfs/dbraw/zinc/97/74/51/377977451.db2.gz QXFMJPRNYJUQHK-HNNXBMFYSA-N 2 0 337.472 -0.371 20 0 EBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCc3ccc4c(c3)C[NH2+]C4)CCN2C1=O ZINC000595265892 377985761 /nfs/dbraw/zinc/98/57/61/377985761.db2.gz WIOVLEAOKZUMDP-HUUCEWRRSA-N 2 0 329.404 -0.257 20 0 EBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)Cc3cccc4c3CC[NH2+]C4)CCN2C1=O ZINC000602525959 378362093 /nfs/dbraw/zinc/36/20/93/378362093.db2.gz NJGKUCOENJCFGA-HOCLYGCPSA-N 2 0 328.416 -0.355 20 0 EBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000636733999 378363714 /nfs/dbraw/zinc/36/37/14/378363714.db2.gz HMJLOWXQSCLAIF-HNNXBMFYSA-N 2 0 340.468 -0.003 20 0 EBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H]([NH3+])Cc1cccc(OC)c1 ZINC000602490136 378359081 /nfs/dbraw/zinc/35/90/81/378359081.db2.gz CCKZZXNWZOOOSG-LSDHHAIUSA-N 2 0 335.404 -0.072 20 0 EBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000602489837 378359449 /nfs/dbraw/zinc/35/94/49/378359449.db2.gz AHBABOIYASZIOQ-JKSUJKDBSA-N 2 0 348.447 -0.191 20 0 EBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H]([NH3+])Cc1cccc(OC)c1 ZINC000602490132 378360064 /nfs/dbraw/zinc/36/00/64/378360064.db2.gz CCKZZXNWZOOOSG-HUUCEWRRSA-N 2 0 335.404 -0.072 20 0 EBADRP C[N@H+](CCc1ccccc1)CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000602528534 378360693 /nfs/dbraw/zinc/36/06/93/378360693.db2.gz RUNLWLULRUABEO-HOTGVXAUSA-N 2 0 330.432 -0.069 20 0 EBADRP C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[C@@H]1CN(C)CCO1 ZINC000636949483 378438385 /nfs/dbraw/zinc/43/83/85/378438385.db2.gz HSDIEVVUXBUUQS-IHRRRGAJSA-N 2 0 341.456 -0.656 20 0 EBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000637254890 378550537 /nfs/dbraw/zinc/55/05/37/378550537.db2.gz FIGNKLFVXRNUKK-MJBXVCDLSA-N 2 0 325.457 -0.034 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000339310165 378885877 /nfs/dbraw/zinc/88/58/77/378885877.db2.gz OEEZQTYJSJDDLV-KGLIPLIRSA-N 2 0 326.441 -0.624 20 0 EBADRP CC[C@H](O)CN1CCN(C(=O)[C@@H](Cc2c[nH]cn2)NC(C)=O)CC1 ZINC000339274791 378876435 /nfs/dbraw/zinc/87/64/35/378876435.db2.gz LLQVNILIKHGVHH-LSDHHAIUSA-N 2 0 337.424 -0.628 20 0 EBADRP CC[NH+](CC)CCNC(=O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000339574357 378947307 /nfs/dbraw/zinc/94/73/07/378947307.db2.gz IQOLUIZHXLIYJM-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP CC[NH+](CC)CCOCCNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339630867 378962256 /nfs/dbraw/zinc/96/22/56/378962256.db2.gz IPFMSBDEJDSNTC-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000339637361 378963789 /nfs/dbraw/zinc/96/37/89/378963789.db2.gz YRVKHPUGRGZAMQ-UHFFFAOYSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](C)CCCOC)CC1 ZINC000339670500 378969565 /nfs/dbraw/zinc/96/95/65/378969565.db2.gz XESKLOPCGDMFAP-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP CN1CCN(C(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@H](C[NH3+])C1 ZINC000563611087 379054439 /nfs/dbraw/zinc/05/44/39/379054439.db2.gz TYNGSBPZXXLYQS-CQSZACIVSA-N 2 0 339.484 -0.533 20 0 EBADRP CCO[C@@H]1COC[C@H]1[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000451943107 379076793 /nfs/dbraw/zinc/07/67/93/379076793.db2.gz HKRGGALNFNJWNK-ARFHVFGLSA-N 2 0 343.468 -0.147 20 0 EBADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)N2CCN(C)CC2)CC1 ZINC000451997350 379076561 /nfs/dbraw/zinc/07/65/61/379076561.db2.gz ZDSJCGLLNMQNAX-UHFFFAOYSA-N 3 0 325.501 -0.234 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000339964113 379109597 /nfs/dbraw/zinc/10/95/97/379109597.db2.gz XDDYIPWHULPAAL-UHFFFAOYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1=O ZINC000452794304 379098102 /nfs/dbraw/zinc/09/81/02/379098102.db2.gz GFAVFVSHNQUAKY-HUUCEWRRSA-N 2 0 340.468 -0.641 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000629789079 379134070 /nfs/dbraw/zinc/13/40/70/379134070.db2.gz ODBQQZNFWCTDJS-UHFFFAOYSA-N 2 0 326.441 -0.636 20 0 EBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000629822641 379162217 /nfs/dbraw/zinc/16/22/17/379162217.db2.gz OWPWSYTXYCVDGD-UHFFFAOYSA-N 2 0 340.468 -0.103 20 0 EBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCOCC[NH2+]C)[C@@H](C)C1 ZINC000629798171 379140089 /nfs/dbraw/zinc/14/00/89/379140089.db2.gz ISMFGUGOWQJNHN-LSDHHAIUSA-N 2 0 342.484 -0.131 20 0 EBADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627293627 379140087 /nfs/dbraw/zinc/14/00/87/379140087.db2.gz YHVQNALTMPYKAX-JKSUJKDBSA-N 2 0 348.447 -0.620 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000629799654 379142826 /nfs/dbraw/zinc/14/28/26/379142826.db2.gz SMMVXZHWIUJLPS-UHFFFAOYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000629800098 379142944 /nfs/dbraw/zinc/14/29/44/379142944.db2.gz NRXOWJILONCKPV-KBPBESRZSA-N 2 0 328.457 -0.378 20 0 EBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCOCC[NH3+])[C@@H](C)C1 ZINC000629797187 379145856 /nfs/dbraw/zinc/14/58/56/379145856.db2.gz AYMGVNIEQICUKO-UONOGXRCSA-N 2 0 328.457 -0.391 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000629802523 379146717 /nfs/dbraw/zinc/14/67/17/379146717.db2.gz IXHMXVLFFDFYTO-UHFFFAOYSA-N 2 0 328.457 -0.377 20 0 EBADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000627297634 379147409 /nfs/dbraw/zinc/14/74/09/379147409.db2.gz PBRHQYVMDUABNP-JYJNAYRXSA-N 2 0 346.431 -0.347 20 0 EBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000629808146 379150339 /nfs/dbraw/zinc/15/03/39/379150339.db2.gz GKDSIMFLKICQLZ-CQSZACIVSA-N 2 0 340.468 -0.105 20 0 EBADRP CCC[NH+]1CCC(CNC(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627302460 379232164 /nfs/dbraw/zinc/23/21/64/379232164.db2.gz NAERXPCLGFMKBX-UHFFFAOYSA-N 2 0 340.468 -0.151 20 0 EBADRP O=C(NCCCCC[NH+]1CCCCC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627303687 379235993 /nfs/dbraw/zinc/23/59/93/379235993.db2.gz ZIGNONLWQNHHHY-OAHLLOKOSA-N 2 0 340.468 -0.137 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000458441494 379224294 /nfs/dbraw/zinc/22/42/94/379224294.db2.gz SCEASWGBLBEYQC-GJZGRUSLSA-N 2 0 328.457 -0.147 20 0 EBADRP CO[C@@H]1COC[C@@H]1[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000459821963 379270813 /nfs/dbraw/zinc/27/08/13/379270813.db2.gz GRVLJPYXBATLKQ-SOUVJXGZSA-N 2 0 329.441 -0.537 20 0 EBADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)C2([NH+](C)C)CC2)CC1=O ZINC000629994038 379335983 /nfs/dbraw/zinc/33/59/83/379335983.db2.gz TXIOLDYVDBOZTR-ZDUSSCGKSA-N 2 0 326.441 -0.624 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000627332183 379342001 /nfs/dbraw/zinc/34/20/01/379342001.db2.gz SLHZAYPNGXSWSB-UHFFFAOYSA-N 2 0 348.451 -0.743 20 0 EBADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627312056 379303126 /nfs/dbraw/zinc/30/31/26/379303126.db2.gz NWYQZMNDQXTGDL-UONOGXRCSA-N 2 0 340.468 -0.153 20 0 EBADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627312054 379304233 /nfs/dbraw/zinc/30/42/33/379304233.db2.gz NWYQZMNDQXTGDL-KBPBESRZSA-N 2 0 340.468 -0.153 20 0 EBADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000627314101 379312473 /nfs/dbraw/zinc/31/24/73/379312473.db2.gz UPZGDEQGKPKJQE-RRFJBIMHSA-N 2 0 340.468 -0.282 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627314221 379312743 /nfs/dbraw/zinc/31/27/43/379312743.db2.gz XVIVWTYXBWCBER-CYBMUJFWSA-N 3 0 325.457 -0.922 20 0 EBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCOCC[NH+](C)C)C2)CC1 ZINC000471643577 379376390 /nfs/dbraw/zinc/37/63/90/379376390.db2.gz RFXOYCCNIMURNN-MRXNPFEDSA-N 2 0 341.500 -0.014 20 0 EBADRP CC(C)(CNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)N1CCOCC1 ZINC000621837627 379364999 /nfs/dbraw/zinc/36/49/99/379364999.db2.gz MPBQEPIORCNMNR-CXAGYDPISA-N 2 0 338.452 -0.447 20 0 EBADRP CC(C)(CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)N1CCOCC1 ZINC000621837629 379365860 /nfs/dbraw/zinc/36/58/60/379365860.db2.gz MPBQEPIORCNMNR-GUYCJALGSA-N 2 0 338.452 -0.447 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621844388 379366563 /nfs/dbraw/zinc/36/65/63/379366563.db2.gz QVHZVRWXIAIQDN-BBRMVZONSA-N 2 0 326.441 -0.589 20 0 EBADRP O=S(=O)(CCn1ccnc1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000641371411 379410241 /nfs/dbraw/zinc/41/02/41/379410241.db2.gz KICFWVLHQLYCAF-CQSZACIVSA-N 2 0 328.438 -0.133 20 0 EBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC000642644435 379552401 /nfs/dbraw/zinc/55/24/01/379552401.db2.gz FWKCQUCXBLYNOU-RBSFLKMASA-N 2 0 340.468 -0.202 20 0 EBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000627400138 379582265 /nfs/dbraw/zinc/58/22/65/379582265.db2.gz KVHKUGOPDUUVFT-AWEZNQCLSA-N 2 0 338.452 -0.432 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)C[NH+]1CCCC1 ZINC000627398551 379583150 /nfs/dbraw/zinc/58/31/50/379583150.db2.gz PSUNSYIDXMNVTC-ZDUSSCGKSA-N 2 0 326.441 -0.541 20 0 EBADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627452584 379603349 /nfs/dbraw/zinc/60/33/49/379603349.db2.gz OHQMSUZPIOVHAG-KBPBESRZSA-N 2 0 340.468 -0.010 20 0 EBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)CCO1 ZINC000642080368 379559766 /nfs/dbraw/zinc/55/97/66/379559766.db2.gz PDJHETZSKNTRPB-CHWSQXEVSA-N 2 0 326.441 -0.448 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000627354732 379560193 /nfs/dbraw/zinc/56/01/93/379560193.db2.gz MKAFRYPKPQZKCI-AGUYFDCRSA-N 2 0 326.441 -0.530 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000627357809 379562154 /nfs/dbraw/zinc/56/21/54/379562154.db2.gz QXFZOZGTIVBYPF-UHFFFAOYSA-N 2 0 328.457 -0.471 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NCCOCCC[NH3+])CCSC1 ZINC000627370470 379568434 /nfs/dbraw/zinc/56/84/34/379568434.db2.gz ANHANOAAZIIMRG-CQSZACIVSA-N 2 0 332.470 -0.979 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000627365961 379568650 /nfs/dbraw/zinc/56/86/50/379568650.db2.gz DFUSAMCKCBBYFH-UHFFFAOYSA-N 2 0 342.484 -0.083 20 0 EBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C[NH2+]1 ZINC000627370984 379569312 /nfs/dbraw/zinc/56/93/12/379569312.db2.gz SDARUFWXPZDJKI-LALPHHSUSA-N 2 0 328.482 -0.203 20 0 EBADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC000627388276 379576397 /nfs/dbraw/zinc/57/63/97/379576397.db2.gz QMBYJDDTARGXME-INIZCTEOSA-N 2 0 348.447 -0.489 20 0 EBADRP C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C[NH2+]1 ZINC000627484090 379631849 /nfs/dbraw/zinc/63/18/49/379631849.db2.gz QPORUIGSIVRAJO-UONOGXRCSA-N 2 0 340.468 -0.452 20 0 EBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCC3([NH3+])CCOCC3)CC[C@@H]21 ZINC000627454810 379606088 /nfs/dbraw/zinc/60/60/88/379606088.db2.gz ZZNLCCGUDZKFJR-KGLIPLIRSA-N 2 0 338.452 -0.447 20 0 EBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627455997 379606435 /nfs/dbraw/zinc/60/64/35/379606435.db2.gz USKMFMUVKKTQSU-ZIAGYGMSSA-N 2 0 338.452 -0.447 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000627463607 379612909 /nfs/dbraw/zinc/61/29/09/379612909.db2.gz CNGRLIOGRKUGBV-HNNXBMFYSA-N 2 0 340.468 -0.185 20 0 EBADRP CCC[NH+]1CCC(CNC(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000642247029 379753400 /nfs/dbraw/zinc/75/34/00/379753400.db2.gz CVRBLENFZSTTIN-ZFWWWQNUSA-N 2 0 340.468 -0.201 20 0 EBADRP CN(CCC[NH+](C)C)CCNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631950639 379789592 /nfs/dbraw/zinc/78/95/92/379789592.db2.gz MUXPBFLPIZRYDH-UHFFFAOYSA-N 2 0 335.518 -0.612 20 0 EBADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631945375 379790132 /nfs/dbraw/zinc/79/01/32/379790132.db2.gz WZKITMLUWJUFPX-ZNMIVQPWSA-N 2 0 347.481 -0.477 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000631953232 379791542 /nfs/dbraw/zinc/79/15/42/379791542.db2.gz GCVPFPUBJGPERY-GJZGRUSLSA-N 2 0 330.498 -0.233 20 0 EBADRP [NH3+][C@H]1CCC[C@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000627086490 379801134 /nfs/dbraw/zinc/80/11/34/379801134.db2.gz BAGMKIIUOGKYGI-KBPBESRZSA-N 2 0 338.456 -0.391 20 0 EBADRP CN(CCOCC[NH3+])C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000627094302 379803508 /nfs/dbraw/zinc/80/35/08/379803508.db2.gz WYGLSVMEKNSHSG-UHFFFAOYSA-N 2 0 327.473 -0.181 20 0 EBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000642256991 379757456 /nfs/dbraw/zinc/75/74/56/379757456.db2.gz CNOSZMXJAIZZTE-ZBFHGGJFSA-N 2 0 348.447 -0.191 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000626963696 379766523 /nfs/dbraw/zinc/76/65/23/379766523.db2.gz AGPRPIXLTAISNG-KBPBESRZSA-N 2 0 341.456 -0.783 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N(C)CCOCC[NH3+] ZINC000626964013 379767882 /nfs/dbraw/zinc/76/78/82/379767882.db2.gz HQDQGQIGBUESPB-AWEZNQCLSA-N 2 0 343.472 -0.454 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000626974348 379767981 /nfs/dbraw/zinc/76/79/81/379767981.db2.gz RGIGCBLQESLGIT-GXTWGEPZSA-N 2 0 325.457 -0.021 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N(C)CCOCC[NH3+] ZINC000626964014 379768200 /nfs/dbraw/zinc/76/82/00/379768200.db2.gz HQDQGQIGBUESPB-CQSZACIVSA-N 2 0 343.472 -0.454 20 0 EBADRP CN(CCOCC[NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000626979533 379770210 /nfs/dbraw/zinc/77/02/10/379770210.db2.gz ZUBHSCLQXFEHKJ-CQSZACIVSA-N 2 0 327.473 -0.228 20 0 EBADRP C[NH2+]CCOCCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000627002278 379775726 /nfs/dbraw/zinc/77/57/26/379775726.db2.gz PGYZAMSIOANHNB-CABCVRRESA-N 2 0 328.457 -0.101 20 0 EBADRP C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)C[C@H]3C[NH2+]CCO3)CC2)C1 ZINC000631920311 379779945 /nfs/dbraw/zinc/77/99/45/379779945.db2.gz XCUNLWMDJVUMRZ-HUUCEWRRSA-N 2 0 346.497 -0.984 20 0 EBADRP C[NH+](C)CCCS(=O)(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000631931796 379785170 /nfs/dbraw/zinc/78/51/70/379785170.db2.gz NTZQGQFHTOMTQW-ZDUSSCGKSA-N 2 0 334.486 -0.413 20 0 EBADRP COC[C@@]1(CNS(=O)(=O)CCCN2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000631937254 379785184 /nfs/dbraw/zinc/78/51/84/379785184.db2.gz UPQMJFKITJDJCX-HNNXBMFYSA-N 2 0 348.513 -0.688 20 0 EBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000631943403 379788323 /nfs/dbraw/zinc/78/83/23/379788323.db2.gz VJEWMWUVAAYOBE-OAHLLOKOSA-N 2 0 339.465 -0.044 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000627192152 379829619 /nfs/dbraw/zinc/82/96/19/379829619.db2.gz OMAQFFLWEKXVLC-CABCVRRESA-N 2 0 326.441 -0.225 20 0 EBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000276812408 379861926 /nfs/dbraw/zinc/86/19/26/379861926.db2.gz DTNQZSWTJGNNFK-ZFWWWQNUSA-N 2 0 348.451 -0.123 20 0 EBADRP [NH3+]C[C@]1(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCCOC1 ZINC000637816099 379863762 /nfs/dbraw/zinc/86/37/62/379863762.db2.gz XJHYBFGTXGMFIW-WMLDXEAASA-N 2 0 338.452 -0.588 20 0 EBADRP C[NH2+]CCOCCNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000627176394 379820404 /nfs/dbraw/zinc/82/04/04/379820404.db2.gz SOFGRPADEMAYIO-UHFFFAOYSA-N 2 0 328.457 -0.024 20 0 EBADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627190827 379826750 /nfs/dbraw/zinc/82/67/50/379826750.db2.gz WEFSHETTXBNESG-AWEZNQCLSA-N 2 0 327.473 -0.310 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@H]([NH3+])C[C@H]3C)CC2)c1 ZINC000633115167 379943735 /nfs/dbraw/zinc/94/37/35/379943735.db2.gz GWPLCXURJYGDOB-CHWSQXEVSA-N 2 0 347.419 -0.313 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000633115513 379944459 /nfs/dbraw/zinc/94/44/59/379944459.db2.gz LFAAFUAWTCJWLP-KGLIPLIRSA-N 2 0 339.484 -0.581 20 0 EBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633114853 379944720 /nfs/dbraw/zinc/94/47/20/379944720.db2.gz JEICZYZRDHHECU-GASCZTMLSA-N 2 0 339.484 -0.709 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)C1 ZINC000633146548 379949310 /nfs/dbraw/zinc/94/93/10/379949310.db2.gz PEAULDOQKDXJAI-RBSFLKMASA-N 2 0 340.468 -0.106 20 0 EBADRP O=C(NC[C@H]1CCCC[NH2+]1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000634271649 379992071 /nfs/dbraw/zinc/99/20/71/379992071.db2.gz VIDJTLOVGAJVNH-HUUCEWRRSA-N 2 0 337.468 -0.018 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000340081930 380011892 /nfs/dbraw/zinc/01/18/92/380011892.db2.gz WGHPVWNXXLOHCX-UHFFFAOYSA-N 2 0 327.473 -0.851 20 0 EBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)c2cccc(N3CC[NH+](C)CC3)n2)C1 ZINC000545882248 380099499 /nfs/dbraw/zinc/09/94/99/380099499.db2.gz YPRYFVGIRFDTHP-QGZVFWFLSA-N 2 0 333.436 -0.370 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638098079 380133118 /nfs/dbraw/zinc/13/31/18/380133118.db2.gz ZAUYQASBDIECEC-BBRMVZONSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000355277510 380178997 /nfs/dbraw/zinc/17/89/97/380178997.db2.gz VZSICUVHDMGDEX-OAHLLOKOSA-N 2 0 341.500 -0.461 20 0 EBADRP C[NH+]1CCN(c2ccc(CNC(=O)[C@]3(C)C[NH2+]CCO3)cn2)CC1 ZINC000638136548 380200956 /nfs/dbraw/zinc/20/09/56/380200956.db2.gz IROFZRUBFOIRTF-KRWDZBQOSA-N 2 0 333.436 -0.172 20 0 EBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638111705 380158048 /nfs/dbraw/zinc/15/80/48/380158048.db2.gz GCBPTNZUCHSWHM-INIZCTEOSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C[C@H]2COCC[NH2+]2)cc1 ZINC000285762231 380262788 /nfs/dbraw/zinc/26/27/88/380262788.db2.gz KSMGCVHLSRFAIO-INIZCTEOSA-N 2 0 348.447 -0.027 20 0 EBADRP C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H](O)CN2CCOCC2)C[N@@H+]1C1CC1 ZINC000246299341 380265665 /nfs/dbraw/zinc/26/56/65/380265665.db2.gz LKMJMJFGHHSXHV-IIAWOOMASA-N 2 0 340.468 -0.054 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000340202255 380234868 /nfs/dbraw/zinc/23/48/68/380234868.db2.gz DELLBWKJYQUURZ-UHFFFAOYSA-N 2 0 328.457 -0.471 20 0 EBADRP C[C@@]1(C(N)=O)CC[NH+](CCOCC[N@H+]2CC[C@@](C)(C(N)=O)C2)C1 ZINC000361566386 380323030 /nfs/dbraw/zinc/32/30/30/380323030.db2.gz RWFWLGPZLWKTDO-HZPDHXFCSA-N 2 0 326.441 -0.602 20 0 EBADRP [NH3+]C[C@]1(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCCOC1 ZINC000638219759 380289371 /nfs/dbraw/zinc/28/93/71/380289371.db2.gz LEQJNZCEXULNDO-WCQYABFASA-N 2 0 338.374 -0.306 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000564430385 380371950 /nfs/dbraw/zinc/37/19/50/380371950.db2.gz COQYMAOJTCEMFZ-HOTGVXAUSA-N 2 0 339.484 -0.214 20 0 EBADRP O=C(COC1CC[NH2+]CC1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000564948090 380389032 /nfs/dbraw/zinc/38/90/32/380389032.db2.gz SJOVZNOMDFSVEF-AWEZNQCLSA-N 2 0 338.452 -0.575 20 0 EBADRP COCC[N@H+](C)CCOc1cccc(CNc2nc(N)[nH+]c(N)n2)c1 ZINC000623934426 380393855 /nfs/dbraw/zinc/39/38/55/380393855.db2.gz SDDJJKPQYDUQCB-UHFFFAOYSA-N 2 0 347.423 -0.312 20 0 EBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000565603240 380428386 /nfs/dbraw/zinc/42/83/86/380428386.db2.gz JIFLFNVITLKSBZ-OAHLLOKOSA-N 2 0 332.452 -0.533 20 0 EBADRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000567249378 380509655 /nfs/dbraw/zinc/50/96/55/380509655.db2.gz BSBILSRQDCMYJA-DZGCQCFKSA-N 2 0 346.497 -0.113 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000340479777 380511647 /nfs/dbraw/zinc/51/16/47/380511647.db2.gz NAHSZBXSEJEHBE-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP O=C(CC[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1)N1CC[NH2+]CC1 ZINC000567353295 380513190 /nfs/dbraw/zinc/51/31/90/380513190.db2.gz LEKZCGDZRUQPOH-AWEZNQCLSA-N 2 0 344.481 -0.692 20 0 EBADRP CO[C@H](C[NH3+])C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000290196903 380463930 /nfs/dbraw/zinc/46/39/30/380463930.db2.gz QWEJLFHWYRRKBI-HZPDHXFCSA-N 2 0 348.447 -0.026 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000340356782 380472166 /nfs/dbraw/zinc/47/21/66/380472166.db2.gz YIUGXYKHWBDLDK-HNNXBMFYSA-N 2 0 340.468 -0.185 20 0 EBADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000566502078 380477463 /nfs/dbraw/zinc/47/74/63/380477463.db2.gz OEJDBQJTMBUADU-UHFFFAOYSA-N 2 0 327.410 -0.043 20 0 EBADRP CN(CCN1CCOCC1)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000340512430 380524588 /nfs/dbraw/zinc/52/45/88/380524588.db2.gz VFDAELVTBRRJTN-CQSZACIVSA-N 2 0 338.452 -0.623 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC(=O)N2CCc3ccccc3C2)CC1 ZINC000567726065 380538818 /nfs/dbraw/zinc/53/88/18/380538818.db2.gz XBOSKSZVJLRIFF-SFHVURJKSA-N 2 0 346.475 -0.231 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC1CCS(=O)(=O)CC1 ZINC000534491653 380583342 /nfs/dbraw/zinc/58/33/42/380583342.db2.gz LHUQABZAAVLBMC-UHFFFAOYSA-N 2 0 348.513 -0.054 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H]1C[NH+](C2CC2)C[C@H]1C ZINC000340569590 380547431 /nfs/dbraw/zinc/54/74/31/380547431.db2.gz CEUWBRWUGQUSQD-HIFRSBDPSA-N 2 0 340.468 -0.330 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000340576240 380552990 /nfs/dbraw/zinc/55/29/90/380552990.db2.gz JDNCWJCJRHURBG-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000340585306 380556728 /nfs/dbraw/zinc/55/67/28/380556728.db2.gz VWJVRXZIBQBFAZ-GJZGRUSLSA-N 2 0 342.484 -0.131 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000567908994 380557971 /nfs/dbraw/zinc/55/79/71/380557971.db2.gz WTKJZDSLWUFWTR-XUJLQICISA-N 2 0 339.484 -0.582 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000568077626 380572828 /nfs/dbraw/zinc/57/28/28/380572828.db2.gz GNVAMWCNYUNONE-CQSZACIVSA-N 2 0 338.452 -0.434 20 0 EBADRP COC(=O)CNC(=O)CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371294738 380644169 /nfs/dbraw/zinc/64/41/69/380644169.db2.gz MUXQUGXCUYMCNP-BFHYXJOUSA-N 2 0 327.425 -0.151 20 0 EBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3[NH2+]CCc4ccccc43)CCN2C1=O ZINC000568287770 380593190 /nfs/dbraw/zinc/59/31/90/380593190.db2.gz JPWSRTGWJIYJFP-FVQBIDKESA-N 2 0 343.431 -0.173 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000535011528 380599939 /nfs/dbraw/zinc/59/99/39/380599939.db2.gz FQTNMSPJIXFRBZ-UHFFFAOYSA-N 2 0 347.423 -0.606 20 0 EBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)NC3CC[NH+](CC4CC4)CC3)CCN2C1=O ZINC000568534907 380607758 /nfs/dbraw/zinc/60/77/58/380607758.db2.gz LEOYVZZCNFCDBW-CABCVRRESA-N 2 0 335.452 -0.186 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000572842078 380647457 /nfs/dbraw/zinc/64/74/57/380647457.db2.gz PSFDPTLCYVJMBA-XUXIUFHCSA-N 2 0 328.457 -0.156 20 0 EBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCNC[C@H]1c1cccnc1 ZINC000573801032 380686473 /nfs/dbraw/zinc/68/64/73/380686473.db2.gz NUOAQLDMCGNZHP-CABCVRRESA-N 2 0 331.420 -0.187 20 0 EBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)C2)CC1 ZINC000372234731 380697681 /nfs/dbraw/zinc/69/76/81/380697681.db2.gz XQESNQXTNAXMQL-PBHICJAKSA-N 2 0 341.500 -0.233 20 0 EBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638784021 380755567 /nfs/dbraw/zinc/75/55/67/380755567.db2.gz QRBVTYVHMLHAHM-GJZGRUSLSA-N 2 0 338.452 -0.528 20 0 EBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000576123239 380758183 /nfs/dbraw/zinc/75/81/83/380758183.db2.gz ALFQPRXODSMNEC-UONOGXRCSA-N 2 0 326.441 -0.591 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000341551019 380717964 /nfs/dbraw/zinc/71/79/64/380717964.db2.gz RGCUUIGBRXWYJQ-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP COC[C@H](C)NC(=O)NC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000575046785 380727715 /nfs/dbraw/zinc/72/77/15/380727715.db2.gz BNWYILOERNEQJV-LNSITVRQSA-N 2 0 342.440 -0.325 20 0 EBADRP C[C@H](CCNC(=O)NCC(=O)N1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000575853199 380748080 /nfs/dbraw/zinc/74/80/80/380748080.db2.gz IUQBGWKVHISIBR-CQSZACIVSA-N 2 0 325.457 -0.018 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000575984457 380752783 /nfs/dbraw/zinc/75/27/83/380752783.db2.gz VLEUSCCMPQCUGD-KBPBESRZSA-N 2 0 336.440 -0.129 20 0 EBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000418288040 380771095 /nfs/dbraw/zinc/77/10/95/380771095.db2.gz ALWMRGFBYXFVDE-GJZGRUSLSA-N 2 0 327.473 -0.622 20 0 EBADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)C1 ZINC000577373662 380820855 /nfs/dbraw/zinc/82/08/55/380820855.db2.gz WRQXOTNHYVWQFA-HUUCEWRRSA-N 2 0 337.468 -0.920 20 0 EBADRP CN1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)[C@H](C[NH3+])C1 ZINC000578005258 380870161 /nfs/dbraw/zinc/87/01/61/380870161.db2.gz XEIIRLSKRIXFJI-LSDHHAIUSA-N 2 0 337.468 -0.826 20 0 EBADRP CN(C)c1ncc(C[NH2+]CCCC[NH+]2CCN(CCO)CC2)n1C ZINC000425337885 380835404 /nfs/dbraw/zinc/83/54/04/380835404.db2.gz AKRKHRPFCLEHDK-UHFFFAOYSA-N 2 0 338.500 -0.034 20 0 EBADRP CC[C@@H]1OCC[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000577739102 380839309 /nfs/dbraw/zinc/83/93/09/380839309.db2.gz BVHSBNGUHOHMMX-KGLIPLIRSA-N 2 0 328.457 -0.378 20 0 EBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638983558 380849556 /nfs/dbraw/zinc/84/95/56/380849556.db2.gz BZBQGCQUEKGNJH-CYBMUJFWSA-N 3 0 332.408 -0.702 20 0 EBADRP COCC[N@H+](C)CCNC(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000417437255 380890253 /nfs/dbraw/zinc/89/02/53/380890253.db2.gz GSNJANYHBFZILM-AWEZNQCLSA-N 2 0 341.456 -0.830 20 0 EBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000578226382 380913130 /nfs/dbraw/zinc/91/31/30/380913130.db2.gz KLXZOFLUTLCUMJ-KGLIPLIRSA-N 2 0 325.457 -0.162 20 0 EBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCCC[NH2+]Cc3cccnc3)CCN2C1=O ZINC000578339281 380923605 /nfs/dbraw/zinc/92/36/05/380923605.db2.gz BVNSIERJASNMSA-LSDHHAIUSA-N 2 0 346.435 -0.485 20 0 EBADRP COC1(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC[NH2+]CC1 ZINC000578359293 380923975 /nfs/dbraw/zinc/92/39/75/380923975.db2.gz UHUPKRFJOHCUNH-AWEZNQCLSA-N 2 0 338.452 -0.575 20 0 EBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)c3ccc4c(c3)CC[NH2+]CC4)CCN2C1=O ZINC000578670127 380945614 /nfs/dbraw/zinc/94/56/14/380945614.db2.gz ZFJJJMMDQWFADE-JKSUJKDBSA-N 2 0 328.416 -0.241 20 0 EBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)CCN2C1=O ZINC000578669384 380945749 /nfs/dbraw/zinc/94/57/49/380945749.db2.gz KJEIKTWTUVKVBD-RRFJBIMHSA-N 2 0 335.452 -0.043 20 0 EBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000579378239 380987715 /nfs/dbraw/zinc/98/77/15/380987715.db2.gz XPHKZZYHFMVSTP-KBPBESRZSA-N 2 0 326.441 -0.672 20 0 EBADRP CCN1CCO[C@H](C(=O)N2CCCN(CC(=O)N(C)C)CC2)C1 ZINC000377949344 381003074 /nfs/dbraw/zinc/00/30/74/381003074.db2.gz JFPLFHCGPNJKPV-AWEZNQCLSA-N 2 0 326.441 -0.670 20 0 EBADRP CC[NH+](C)C[C@@H](O)CN1CCCN(C[C@H](O)C[N@@H+](C)CC)CC1 ZINC000581080519 381053715 /nfs/dbraw/zinc/05/37/15/381053715.db2.gz UZQWBXDDZCHELS-IAGOWNOFSA-N 2 0 330.517 -0.381 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000582714729 381059984 /nfs/dbraw/zinc/05/99/84/381059984.db2.gz ANJYYJVSFSYEKB-CQSZACIVSA-N 2 0 325.457 -0.162 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000581364127 381070795 /nfs/dbraw/zinc/07/07/95/381070795.db2.gz BGDWYLSBTNENSZ-LSDHHAIUSA-N 3 0 339.484 -0.994 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000581364125 381071049 /nfs/dbraw/zinc/07/10/49/381071049.db2.gz BGDWYLSBTNENSZ-GJZGRUSLSA-N 3 0 339.484 -0.994 20 0 EBADRP CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)[C@@H](C[NH3+])C1 ZINC000580768546 381033297 /nfs/dbraw/zinc/03/32/97/381033297.db2.gz RTPTYSRGAGBXPR-SOUVJXGZSA-N 2 0 337.468 -0.970 20 0 EBADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](O)CN2CCOCC2)CC1 ZINC000581543404 381083800 /nfs/dbraw/zinc/08/38/00/381083800.db2.gz FDWALIMHRMFTOI-IAGOWNOFSA-N 2 0 328.501 -0.457 20 0 EBADRP CC(C)[C@@H](C[NH2+]C[C@H](O)CN1CCOCC1)N1CC[NH+](C)CC1 ZINC000583199399 381109396 /nfs/dbraw/zinc/10/93/96/381109396.db2.gz NMVFJRLCMIQLMO-DLBZAZTESA-N 2 0 328.501 -0.459 20 0 EBADRP C[NH2+]C[C@H](C)CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000418373225 381111408 /nfs/dbraw/zinc/11/14/08/381111408.db2.gz ZLBYLBPLBAHILM-UONOGXRCSA-N 2 0 325.457 -0.210 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cn1nnc2ccccc2c1=O ZINC000103211123 381167207 /nfs/dbraw/zinc/16/72/07/381167207.db2.gz WGALTCLAJYHQRA-UHFFFAOYSA-N 2 0 346.435 -0.257 20 0 EBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000583802300 381143468 /nfs/dbraw/zinc/14/34/68/381143468.db2.gz OUWJELKGVCOORS-LSDHHAIUSA-N 2 0 337.468 -0.066 20 0 EBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)CCN2C1=O ZINC000584541258 381180332 /nfs/dbraw/zinc/18/03/32/381180332.db2.gz ANYDLDLOBUUUEO-NWANDNLSSA-N 2 0 335.452 -0.043 20 0 EBADRP O=C(C[NH+]1[C@H](CO)CC[C@H]1CO)N1CCN(Cc2ccco2)CC1 ZINC000347314621 381207336 /nfs/dbraw/zinc/20/73/36/381207336.db2.gz QXHRJLOIXZOZMY-GJZGRUSLSA-N 2 0 337.420 -0.259 20 0 EBADRP O=C(NC[C@@H]1C[NH2+]CCO1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418774855 381266588 /nfs/dbraw/zinc/26/65/88/381266588.db2.gz VWWVHIZTYKSKKQ-WMZOPIPTSA-N 2 0 348.447 -0.089 20 0 EBADRP COc1cc(CNC(=O)CNC(=O)C[NH3+])ccc1OCC[NH+](C)C ZINC000347610692 381237168 /nfs/dbraw/zinc/23/71/68/381237168.db2.gz GHAHYKZUYQNKCF-UHFFFAOYSA-N 2 0 338.408 -0.673 20 0 EBADRP C[C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000347663404 381243045 /nfs/dbraw/zinc/24/30/45/381243045.db2.gz DYJFXACITDPNPM-HZPDHXFCSA-N 2 0 326.485 -0.046 20 0 EBADRP C[C@](O)(CNC(=O)N[C@@H](C[NH3+])C1CCCC1)CN1CCOCC1 ZINC000418587476 381249692 /nfs/dbraw/zinc/24/96/92/381249692.db2.gz GTTURVCQBQIDTI-HOCLYGCPSA-N 2 0 328.457 -0.114 20 0 EBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000633149957 381291238 /nfs/dbraw/zinc/29/12/38/381291238.db2.gz XYHYAKJOLAFTFR-KBPBESRZSA-N 2 0 325.457 -0.970 20 0 EBADRP CC(C)(CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[NH+]1CCCCC1 ZINC000418846609 381302389 /nfs/dbraw/zinc/30/23/89/381302389.db2.gz YPVJNYJZNVJSSK-CQSZACIVSA-N 2 0 340.468 -0.057 20 0 EBADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCC(=O)N(C)CC(=O)OC)C2)CC1 ZINC000130414094 381302716 /nfs/dbraw/zinc/30/27/16/381302716.db2.gz WGHIZDRCAZOTFA-OAHLLOKOSA-N 2 0 340.468 -0.280 20 0 EBADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418849667 381305572 /nfs/dbraw/zinc/30/55/72/381305572.db2.gz DDBVLYACKYOWLY-IXDOHACOSA-N 2 0 344.459 -0.047 20 0 EBADRP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@@H]1c1ccccc1 ZINC000418901999 381337062 /nfs/dbraw/zinc/33/70/62/381337062.db2.gz GHSQSOBTFZGDQN-CABCVRRESA-N 2 0 334.420 -0.672 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)C1 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DGXQLKFPNBNOEW-AWEZNQCLSA-N 2 0 342.484 -0.442 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351530943 381637672 /nfs/dbraw/zinc/63/76/72/381637672.db2.gz CEQYXMAIIJSKHB-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]1C[NH+](CCCCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000351542272 381642094 /nfs/dbraw/zinc/64/20/94/381642094.db2.gz QVNFFFFRGOKYON-KFWWJZLASA-N 2 0 340.468 -0.140 20 0 EBADRP COCCOC[C@H](O)C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000572112294 381643078 /nfs/dbraw/zinc/64/30/78/381643078.db2.gz BSFPWYVFPBBYQP-MRXNPFEDSA-N 2 0 338.452 -0.053 20 0 EBADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)CCO1 ZINC000351554480 381643603 /nfs/dbraw/zinc/64/36/03/381643603.db2.gz IPQFTKSNLCRLJS-HIFRSBDPSA-N 2 0 338.452 -0.434 20 0 EBADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000331943825 381733705 /nfs/dbraw/zinc/73/37/05/381733705.db2.gz IQJVENJYPPLPSM-KGLIPLIRSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000580421479 381753511 /nfs/dbraw/zinc/75/35/11/381753511.db2.gz JYUHWICDYHJTBG-KFWWJZLASA-N 2 0 339.484 -0.676 20 0 EBADRP O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000612986740 381882824 /nfs/dbraw/zinc/88/28/24/381882824.db2.gz LEDNKELMERDHSN-GJZGRUSLSA-N 2 0 349.479 -0.018 20 0 EBADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000612986741 381883285 /nfs/dbraw/zinc/88/32/85/381883285.db2.gz LEDNKELMERDHSN-HUUCEWRRSA-N 2 0 349.479 -0.018 20 0 EBADRP C[C@]1(NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC[NH2+]C1 ZINC000612882851 381874647 /nfs/dbraw/zinc/87/46/47/381874647.db2.gz GZUZEEZTHUSOSE-HOCLYGCPSA-N 2 0 325.457 -0.556 20 0 EBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CCO1 ZINC000643500655 381908502 /nfs/dbraw/zinc/90/85/02/381908502.db2.gz SBJRCLFVOGKOEO-KGLIPLIRSA-N 2 0 340.468 -0.106 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CCO1 ZINC000643503547 381915660 /nfs/dbraw/zinc/91/56/60/381915660.db2.gz VOVARWKMURPGGA-OAHLLOKOSA-N 2 0 338.452 -0.351 20 0 EBADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000626882334 381917199 /nfs/dbraw/zinc/91/71/99/381917199.db2.gz IVMVHXJQNUUUJB-AWEZNQCLSA-N 2 0 334.420 -0.166 20 0 EBADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000626882340 381917310 /nfs/dbraw/zinc/91/73/10/381917310.db2.gz IVMVHXJQNUUUJB-CQSZACIVSA-N 2 0 334.420 -0.166 20 0 EBADRP CC(C)[C@@H](CNC(=O)NC[C@@H]1COCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000626930190 381959182 /nfs/dbraw/zinc/95/91/82/381959182.db2.gz XXJFTAWPJAEPGW-HUUCEWRRSA-N 2 0 327.473 -0.454 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CCO1 ZINC000643510623 381960578 /nfs/dbraw/zinc/96/05/78/381960578.db2.gz CXFOUYQJWOPTSL-RRFJBIMHSA-N 2 0 338.452 -0.352 20 0 EBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)C1 ZINC000643513562 381994807 /nfs/dbraw/zinc/99/48/07/381994807.db2.gz OVYZGVWWXBXWKX-GJZGRUSLSA-N 2 0 337.468 -0.826 20 0 EBADRP CCOC(=O)CN(C)C(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000352768306 382028678 /nfs/dbraw/zinc/02/86/78/382028678.db2.gz HQJPKFAUNGCALI-UHFFFAOYSA-N 2 0 328.457 -0.423 20 0 EBADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629174287 382083853 /nfs/dbraw/zinc/08/38/53/382083853.db2.gz XDWGIKRKDFIWPS-MRXNPFEDSA-N 2 0 347.463 -0.224 20 0 EBADRP CC[NH+]1CCN(CC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000444577184 382151415 /nfs/dbraw/zinc/15/14/15/382151415.db2.gz WLBHWXXXFYMSSP-OAHLLOKOSA-N 2 0 326.485 -0.073 20 0 EBADRP C[C@@H](NC(N)=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299560051 155160555 /nfs/dbraw/zinc/16/05/55/155160555.db2.gz NDWNRWRCKLJTGY-CYBMUJFWSA-N 2 0 334.424 -0.233 20 0 EBADRP COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CC(=O)N2CCN(C)CC2)C1 ZINC000330632169 155294692 /nfs/dbraw/zinc/29/46/92/155294692.db2.gz QOJHIODBNVBKIH-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@H]1[NH+](C)C ZINC000331432001 155369898 /nfs/dbraw/zinc/36/98/98/155369898.db2.gz UHFLOICFQOBBGB-FAAHXZRKSA-N 2 0 348.451 -0.918 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCSC1 ZINC000331605333 155384646 /nfs/dbraw/zinc/38/46/46/155384646.db2.gz HZSNTJUTYYMQID-CZUORRHYSA-N 2 0 340.493 -0.154 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](C(N)=O)C(C)(C)C)C1 ZINC000106445213 154088733 /nfs/dbraw/zinc/08/87/33/154088733.db2.gz XGBSFPGNMDVPCL-HIFRSBDPSA-N 2 0 342.484 -0.051 20 0 EBADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCC(=O)N2CCOCC2)CC1 ZINC000195519276 154165785 /nfs/dbraw/zinc/16/57/85/154165785.db2.gz LFHTXVBFWASXIS-UHFFFAOYSA-N 2 0 340.468 -0.375 20 0 EBADRP [NH3+]CCNC(=O)[C@H]1CCCN(Cc2nnnn2-c2ccccc2)C1 ZINC000261669143 154195828 /nfs/dbraw/zinc/19/58/28/154195828.db2.gz LLDDCBQDNSEBGA-ZDUSSCGKSA-N 2 0 329.408 -0.051 20 0 EBADRP CCCS(=O)(=O)NC1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262071973 154210581 /nfs/dbraw/zinc/21/05/81/154210581.db2.gz KAVUDWNWWMHIBB-UHFFFAOYSA-N 2 0 346.497 -0.398 20 0 EBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000262945622 154251130 /nfs/dbraw/zinc/25/11/30/154251130.db2.gz ASCAVTRQZNZYOP-ZFWWWQNUSA-N 2 0 327.473 -0.772 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000263227860 154256597 /nfs/dbraw/zinc/25/65/97/154256597.db2.gz GZPAKHGNWBLQFP-HNNXBMFYSA-N 2 0 327.473 -0.772 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000343288860 156119570 /nfs/dbraw/zinc/11/95/70/156119570.db2.gz RTBNWFQLNJFEBH-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](CCCO)C1CCN(C(=O)C(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000343282934 156119695 /nfs/dbraw/zinc/11/96/95/156119695.db2.gz BAUWVVXZKXOEAR-UHFFFAOYSA-N 2 0 340.468 -0.498 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000343303869 156123047 /nfs/dbraw/zinc/12/30/47/156123047.db2.gz QMZARQRBGNRKMW-UHFFFAOYSA-N 2 0 340.468 -0.186 20 0 EBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000343824181 156170029 /nfs/dbraw/zinc/17/00/29/156170029.db2.gz ARORLTSCNKRHAJ-GJZGRUSLSA-N 2 0 340.468 -0.105 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C2CC2)C1 ZINC000343898555 156180408 /nfs/dbraw/zinc/18/04/08/156180408.db2.gz ZOFRVOGSDQUAFX-CYBMUJFWSA-N 2 0 326.441 -0.624 20 0 EBADRP CCOC(=O)[C@@](C)(O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000345201278 156310380 /nfs/dbraw/zinc/31/03/80/156310380.db2.gz PGGLBPQYMKACHI-INIZCTEOSA-N 2 0 329.441 -0.310 20 0 EBADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000345188169 156310650 /nfs/dbraw/zinc/31/06/50/156310650.db2.gz MSNWTMWRQHNMNP-UHFFFAOYSA-N 2 0 346.497 -0.588 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000345245011 156315949 /nfs/dbraw/zinc/31/59/49/156315949.db2.gz COWRVMMDAVRAAL-SQNIBIBYSA-N 2 0 349.523 -0.139 20 0 EBADRP C[NH+]1CCC(CCNC(=O)C(=O)NCCN2CCSCC2)CC1 ZINC000355900848 157031627 /nfs/dbraw/zinc/03/16/27/157031627.db2.gz LPQFFCRXFHLHHS-UHFFFAOYSA-N 2 0 342.509 -0.001 20 0 EBADRP [NH3+]CCOCCN1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000357035200 157113880 /nfs/dbraw/zinc/11/38/80/157113880.db2.gz WAORYQNLCVODIK-UHFFFAOYSA-N 2 0 334.486 -0.300 20 0 EBADRP COC[C@]1(CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CCC[NH2+]1 ZINC000357256275 157129242 /nfs/dbraw/zinc/12/92/42/157129242.db2.gz KCRCCYLLVYHBET-CZUORRHYSA-N 2 0 326.441 -0.719 20 0 EBADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000357904731 157184955 /nfs/dbraw/zinc/18/49/55/157184955.db2.gz HHCJYCIEOCEJQW-CABCVRRESA-N 2 0 334.420 -0.683 20 0 EBADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000357904743 157185185 /nfs/dbraw/zinc/18/51/85/157185185.db2.gz HHCJYCIEOCEJQW-LSDHHAIUSA-N 2 0 334.420 -0.683 20 0 EBADRP C[C@@H](C[NH+](C)C)NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000358503325 157250180 /nfs/dbraw/zinc/25/01/80/157250180.db2.gz QBOGEOVJEDEYSN-AWEZNQCLSA-N 2 0 325.457 -0.114 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000358557208 157257939 /nfs/dbraw/zinc/25/79/39/157257939.db2.gz GMMXDYULLNFUKE-TZMCWYRMSA-N 2 0 326.441 -0.720 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000358555153 157259050 /nfs/dbraw/zinc/25/90/50/157259050.db2.gz DMHRSKXNMMBTBW-UHFFFAOYSA-N 2 0 328.457 -0.519 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000358563842 157260702 /nfs/dbraw/zinc/26/07/02/157260702.db2.gz RARALJKSOCYFAR-UHFFFAOYSA-N 2 0 328.457 -0.377 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000358563937 157261842 /nfs/dbraw/zinc/26/18/42/157261842.db2.gz RKSYIHWZJXXYIG-OAHLLOKOSA-N 2 0 340.468 -0.375 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000358573431 157263575 /nfs/dbraw/zinc/26/35/75/157263575.db2.gz RNUZSCOXVXDQJE-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000358581711 157264401 /nfs/dbraw/zinc/26/44/01/157264401.db2.gz XTWXNYQMBOEJSS-KGLIPLIRSA-N 2 0 328.457 -0.378 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000358571708 157264455 /nfs/dbraw/zinc/26/44/55/157264455.db2.gz PJDWHKZUQRCKJK-MRXNPFEDSA-N 2 0 341.500 -0.230 20 0 EBADRP COCC1(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC[NH2+]CC1 ZINC000358860791 157281940 /nfs/dbraw/zinc/28/19/40/157281940.db2.gz RGKPYOQYWNQNIW-AWEZNQCLSA-N 2 0 340.468 -0.294 20 0 EBADRP CNS(=O)(=O)c1ccc(C[N@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000662246151 418941713 /nfs/dbraw/zinc/94/17/13/418941713.db2.gz QEPDBTDUJJQOMQ-UHFFFAOYSA-N 2 0 326.466 -0.068 20 0 EBADRP C[NH+](C)CCN1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1=O ZINC000650307033 419008898 /nfs/dbraw/zinc/00/88/98/419008898.db2.gz KLSSGMSEEMMGKA-CYBMUJFWSA-N 2 0 328.482 -0.344 20 0 EBADRP C[NH+](C)CCN1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1=O ZINC000650858810 419082469 /nfs/dbraw/zinc/08/24/69/419082469.db2.gz HUROAHGWCLGDSV-AWEZNQCLSA-N 2 0 325.457 -0.256 20 0 EBADRP C[C@@H](NC(=O)C(=O)NCCC1(C[NH3+])CC1)[C@H](C)N1CCOCC1 ZINC000652690487 419062540 /nfs/dbraw/zinc/06/25/40/419062540.db2.gz IVRVQXUGPUIRQK-OLZOCXBDSA-N 2 0 326.441 -0.543 20 0 EBADRP CNC(=O)CCC[N@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000155188214 419065598 /nfs/dbraw/zinc/06/55/98/419065598.db2.gz BZQVPGKXHUYHCU-HNNXBMFYSA-N 2 0 342.484 -0.083 20 0 EBADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]CCCN2C(=O)CCC2=O)C[C@H](C)O1 ZINC000644547881 419169921 /nfs/dbraw/zinc/16/99/21/419169921.db2.gz DQCHYBSOMBSHEV-MJBXVCDLSA-N 2 0 327.425 -0.415 20 0 EBADRP O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000516766873 419178637 /nfs/dbraw/zinc/17/86/37/419178637.db2.gz DDUINQQRMRIAIJ-HUUCEWRRSA-N 2 0 348.451 -0.176 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)N1CCC([NH2+]CCOC)CC1)C1CC1 ZINC000652684848 419253518 /nfs/dbraw/zinc/25/35/18/419253518.db2.gz YZLJIBFMOJDPQJ-UHFFFAOYSA-N 2 0 340.468 -0.186 20 0 EBADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1=O ZINC000644894053 419260660 /nfs/dbraw/zinc/26/06/60/419260660.db2.gz DNXPIFYOHMBEPK-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H]1C[NH3+] ZINC000652694117 419209388 /nfs/dbraw/zinc/20/93/88/419209388.db2.gz PBAPMPICXADUEY-KBUPBQIOSA-N 2 0 338.452 -0.448 20 0 EBADRP Cn1c(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc(=O)n(C)c1=O ZINC000652361660 419234199 /nfs/dbraw/zinc/23/41/99/419234199.db2.gz LWLMFBWMHBKCRV-YUELXQCFSA-N 2 0 336.436 -0.055 20 0 EBADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000652620169 419241734 /nfs/dbraw/zinc/24/17/34/419241734.db2.gz BSBIGSGDSYLTMJ-ZDUSSCGKSA-N 2 0 336.440 -0.159 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)C1 ZINC000645233532 419301055 /nfs/dbraw/zinc/30/10/55/419301055.db2.gz KWYPNQORCPCCCY-ZIAGYGMSSA-N 2 0 341.456 -0.532 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000659456171 419328735 /nfs/dbraw/zinc/32/87/35/419328735.db2.gz IPXSUJHPZBDWQK-CQSZACIVSA-N 2 0 327.473 -0.228 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C(C)C)C[C@H]1C[NH3+] ZINC000652730498 419329060 /nfs/dbraw/zinc/32/90/60/419329060.db2.gz DFVGKANNLZFFTE-ZIAGYGMSSA-N 2 0 328.457 -0.393 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH3+] ZINC000652733173 419340109 /nfs/dbraw/zinc/34/01/09/419340109.db2.gz AOETZUQAFOKPTB-MGPQQGTHSA-N 2 0 326.441 -0.639 20 0 EBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000652731245 419331224 /nfs/dbraw/zinc/33/12/24/419331224.db2.gz FLFCDWQTSDHQRT-CQSZACIVSA-N 2 0 325.457 -0.968 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652734804 419346422 /nfs/dbraw/zinc/34/64/22/419346422.db2.gz WQUTXHAOBKCWTJ-CQSZACIVSA-N 2 0 326.441 -0.813 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)CC2)C1 ZINC000188798669 419449313 /nfs/dbraw/zinc/44/93/13/419449313.db2.gz TUWWRRFRAZMYDN-ARFHVFGLSA-N 2 0 342.459 -0.060 20 0 EBADRP COC[C@@H]1CN([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C[C@H](C)O1 ZINC000527367634 419527133 /nfs/dbraw/zinc/52/71/33/419527133.db2.gz VEQHUFVIQGLXFQ-IHRRRGAJSA-N 2 0 327.425 -0.199 20 0 EBADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000519654254 419535705 /nfs/dbraw/zinc/53/57/05/419535705.db2.gz UPZGDEQGKPKJQE-QLFBSQMISA-N 2 0 340.468 -0.282 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000358578596 419674340 /nfs/dbraw/zinc/67/43/40/419674340.db2.gz SZDXKNAWZKIZRT-KBPBESRZSA-N 2 0 326.441 -0.767 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cn1 ZINC000645625043 419774390 /nfs/dbraw/zinc/77/43/90/419774390.db2.gz VGOAVBJEMUWKLU-GXTWGEPZSA-N 2 0 334.424 -0.454 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH2+]C)C1 ZINC000659750392 419809321 /nfs/dbraw/zinc/80/93/21/419809321.db2.gz NZSQXZSIQFMXFL-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000419947955 419828024 /nfs/dbraw/zinc/82/80/24/419828024.db2.gz YFOOWAQFQABVRK-UONOGXRCSA-N 2 0 339.484 -0.676 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000420009042 419830344 /nfs/dbraw/zinc/83/03/44/419830344.db2.gz VFZIWIHWEBGXIG-KBPBESRZSA-N 2 0 328.457 -0.201 20 0 EBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC2)CC1 ZINC000420018997 419831092 /nfs/dbraw/zinc/83/10/92/419831092.db2.gz ZKYBIPOIJORBNI-CQSZACIVSA-N 2 0 339.484 -0.533 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422093145 419867911 /nfs/dbraw/zinc/86/79/11/419867911.db2.gz ACCLVMDDMFKPRJ-AWEZNQCLSA-N 2 0 328.457 -0.424 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422977187 419915303 /nfs/dbraw/zinc/91/53/03/419915303.db2.gz WHLPXWJSFUEJIU-YNEHKIRRSA-N 2 0 326.441 -0.232 20 0 EBADRP O=C(C(=O)N1CCC(C[NH+]2CCCC2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423085823 419920212 /nfs/dbraw/zinc/92/02/12/419920212.db2.gz LLNGCEDHDQSDKU-IYBDPMFKSA-N 2 0 334.464 -0.001 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423266054 419930080 /nfs/dbraw/zinc/93/00/80/419930080.db2.gz RRCDHVORSFFFEE-ZIAGYGMSSA-N 2 0 326.441 -0.909 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C[C@@H](C)[NH2+]1 ZINC000423217776 419925551 /nfs/dbraw/zinc/92/55/51/419925551.db2.gz UTFHFJPHXFPXDT-KFWWJZLASA-N 2 0 340.468 -0.236 20 0 EBADRP COc1ncncc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000527124077 419938646 /nfs/dbraw/zinc/93/86/46/419938646.db2.gz LCZSNPOKSMBJSX-UHFFFAOYSA-N 2 0 338.412 -0.625 20 0 EBADRP CN(C[C@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1)S(C)(=O)=O ZINC000515846293 419984322 /nfs/dbraw/zinc/98/43/22/419984322.db2.gz OOBDEXWIDAJCAC-CQSZACIVSA-N 2 0 346.497 -0.588 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646188974 420540005 /nfs/dbraw/zinc/54/00/05/420540005.db2.gz BIQPFKDEWOFFES-ZNMIVQPWSA-N 2 0 327.473 -0.182 20 0 EBADRP C[C@H](C(=O)N1CC[C@@H](N(C)Cc2cc(=O)[nH]c(N)n2)C1)[NH+]1CC(C)C1 ZINC000563389232 420654572 /nfs/dbraw/zinc/65/45/72/420654572.db2.gz VBSLDNUTVGTBRC-TZMCWYRMSA-N 2 0 348.451 0.137 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000516570620 420660189 /nfs/dbraw/zinc/66/01/89/420660189.db2.gz CGSQAFGSFSMGAT-STQMWFEESA-N 2 0 349.435 -0.019 20 0 EBADRP COCC[N@H+](C)CCNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176098942 420686939 /nfs/dbraw/zinc/68/69/39/420686939.db2.gz BVTGYRZEPFVIDR-HNNXBMFYSA-N 2 0 328.457 -0.072 20 0 EBADRP COC(=O)CC1CC[NH+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000516753668 420693230 /nfs/dbraw/zinc/69/32/30/420693230.db2.gz WIOZBASCPLADRO-ZDUSSCGKSA-N 2 0 325.409 -0.049 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC(O)(C[NH3+])CC2)C1 ZINC000517238895 420698304 /nfs/dbraw/zinc/69/83/04/420698304.db2.gz JAPMCJWFWBAPQF-HNNXBMFYSA-N 2 0 342.484 -0.755 20 0 EBADRP C[NH+]1CCN(c2ncccc2CNC(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529299296 420759862 /nfs/dbraw/zinc/75/98/62/420759862.db2.gz MCWASKHGPZSFQN-HNNXBMFYSA-N 2 0 348.451 -0.379 20 0 EBADRP C[N@@H+]1CCC[C@@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000529308312 420761948 /nfs/dbraw/zinc/76/19/48/420761948.db2.gz DWAOGUFKMXUDET-CQSZACIVSA-N 2 0 338.456 -0.567 20 0 EBADRP CC[N@H+](CCO)CCNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000187112188 420708646 /nfs/dbraw/zinc/70/86/46/420708646.db2.gz RGBYVJZXEJOGLU-UHFFFAOYSA-N 2 0 329.489 -0.374 20 0 EBADRP COCCN(C)C[C@H](O)C[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000521757588 420713067 /nfs/dbraw/zinc/71/30/67/420713067.db2.gz SNEPTBCFHFNCTR-AWEZNQCLSA-N 2 0 337.486 -0.719 20 0 EBADRP COC(=O)[C@H]1CC12CC[NH+]([C@@H]1CC(=O)N(CC[NH+](C)C)C1=O)CC2 ZINC000522239280 420719343 /nfs/dbraw/zinc/71/93/43/420719343.db2.gz XVDBPUJNLYVAAC-CHWSQXEVSA-N 2 0 337.420 -0.049 20 0 EBADRP COC(=O)[C@@H]1CC12CC[NH+]([C@H]1CC(=O)N(CC[NH+](C)C)C1=O)CC2 ZINC000522239283 420720506 /nfs/dbraw/zinc/72/05/06/420720506.db2.gz XVDBPUJNLYVAAC-STQMWFEESA-N 2 0 337.420 -0.049 20 0 EBADRP CC[NH+]1CCN(CCC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)CC1 ZINC000649074365 420786125 /nfs/dbraw/zinc/78/61/25/420786125.db2.gz GZRXMDXXPOAALE-HNNXBMFYSA-N 2 0 339.484 -0.408 20 0 EBADRP CC1(OCC(=O)N2CCCN(CC(=O)N3CCCC3)CC2)C[NH2+]C1 ZINC000649287648 420796519 /nfs/dbraw/zinc/79/65/19/420796519.db2.gz YZGXIVDSDSGPBU-UHFFFAOYSA-N 2 0 338.452 -0.478 20 0 EBADRP [NH3+][C@@H]1CCCCN(CC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1=O ZINC000649321161 420800449 /nfs/dbraw/zinc/80/04/49/420800449.db2.gz NBHHNDPKJKJKBY-QLFBSQMISA-N 2 0 338.452 -0.616 20 0 EBADRP COC[C@@]1(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC[NH2+]C1 ZINC000519602384 420807168 /nfs/dbraw/zinc/80/71/68/420807168.db2.gz WCBQZMZUQJDXEI-QGZVFWFLSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[C@@H]1C[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[C@@H]1[NH3+] ZINC000649416538 420807936 /nfs/dbraw/zinc/80/79/36/420807936.db2.gz CZMHMWGDTMAYEG-OLZOCXBDSA-N 2 0 348.451 -0.117 20 0 EBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000655970938 420860179 /nfs/dbraw/zinc/86/01/79/420860179.db2.gz NSAHCSVLVKGZDY-MCIONIFRSA-N 2 0 325.457 -0.177 20 0 EBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656023506 420866296 /nfs/dbraw/zinc/86/62/96/420866296.db2.gz BYKVAIZQBXOSFE-APIJFGDWSA-N 2 0 340.468 -0.141 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656041323 420868169 /nfs/dbraw/zinc/86/81/69/420868169.db2.gz QNULIXVMAUFJFC-RFQIPJPRSA-N 2 0 326.441 -0.579 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656039892 420868569 /nfs/dbraw/zinc/86/85/69/420868569.db2.gz KONGUDNGNGFEEO-QKGCVVFFSA-N 2 0 340.468 -0.204 20 0 EBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656062355 420871099 /nfs/dbraw/zinc/87/10/99/420871099.db2.gz LWQKFGCUKNAXKL-LSDHHAIUSA-N 2 0 340.468 -0.690 20 0 EBADRP C[NH+](C)CC1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656090109 420879987 /nfs/dbraw/zinc/87/99/87/420879987.db2.gz YWUDMQJGMRTOLN-LSDHHAIUSA-N 2 0 338.452 -0.936 20 0 EBADRP O=C(N[C@H]1CC[NH+]2CCCC[C@H]12)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656299719 420885771 /nfs/dbraw/zinc/88/57/71/420885771.db2.gz BXRHDKCBPUHSNE-LJISPDSOSA-N 2 0 336.436 -0.993 20 0 EBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656315467 420889524 /nfs/dbraw/zinc/88/95/24/420889524.db2.gz KDYGOXFPTFETQY-QLFBSQMISA-N 2 0 338.452 -0.746 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000659099040 420990884 /nfs/dbraw/zinc/99/08/84/420990884.db2.gz OGYGLBFROJTXAT-UHFFFAOYSA-N 2 0 349.435 -0.438 20 0 EBADRP C[NH+]1CCN(c2ccc(NC(=O)c3cn(CC[NH3+])nn3)cn2)CC1 ZINC000659316282 420995642 /nfs/dbraw/zinc/99/56/42/420995642.db2.gz IHSGQLJCAXODJY-UHFFFAOYSA-N 2 0 330.396 -0.364 20 0 EBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)n1 ZINC000659629060 421007035 /nfs/dbraw/zinc/00/70/35/421007035.db2.gz CQOYMAMTHBVYNY-LBPRGKRZSA-N 2 0 338.412 -0.713 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000659677066 421013591 /nfs/dbraw/zinc/01/35/91/421013591.db2.gz MOXQOEUZSYKSFP-CJNGLKHVSA-N 2 0 348.447 -0.407 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000659679106 421013889 /nfs/dbraw/zinc/01/38/89/421013889.db2.gz DJWVYNAQZVRCAR-ZIAGYGMSSA-N 2 0 340.468 -0.324 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000659689521 421015637 /nfs/dbraw/zinc/01/56/37/421015637.db2.gz BXALQCYLNAAZIH-CYBMUJFWSA-N 2 0 348.451 -0.826 20 0 EBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659719564 421021345 /nfs/dbraw/zinc/02/13/45/421021345.db2.gz WNBHTNOVMTWIJI-LSDHHAIUSA-N 2 0 340.468 -0.155 20 0 EBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000659722332 421021539 /nfs/dbraw/zinc/02/15/39/421021539.db2.gz DMXGTXROTGOSMW-OLZOCXBDSA-N 2 0 326.441 -0.530 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)CCO1 ZINC000659720146 421021927 /nfs/dbraw/zinc/02/19/27/421021927.db2.gz ANOLYQHCGUPWNN-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659731983 421023753 /nfs/dbraw/zinc/02/37/53/421023753.db2.gz HTOLEDXRXNELKV-CQSZACIVSA-N 2 0 340.468 -0.057 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000659750870 421029498 /nfs/dbraw/zinc/02/94/98/421029498.db2.gz ICPCYVHCZWWEMK-GFCCVEGCSA-N 2 0 335.408 -0.537 20 0 EBADRP CC(C)OC[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000662403018 421086865 /nfs/dbraw/zinc/08/68/65/421086865.db2.gz RSBGGJMFRIQOMS-ZDUSSCGKSA-N 2 0 344.437 -0.386 20 0 EBADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])cc1 ZINC000662724366 421096519 /nfs/dbraw/zinc/09/65/19/421096519.db2.gz OEIZDFVDNXSFRR-JKSUJKDBSA-N 2 0 348.447 -0.042 20 0 EBADRP O=C(N1CCC[C@H](N2CCNCC2=O)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662766642 421098907 /nfs/dbraw/zinc/09/89/07/421098907.db2.gz LHPXSOLTYSGAQD-FZMZJTMJSA-N 2 0 348.369 -0.049 20 0 EBADRP O=C(NCCC[NH+]1CCCC1)C1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662779553 421101861 /nfs/dbraw/zinc/10/18/61/421101861.db2.gz SHKCRQCLKHMMCZ-UHFFFAOYSA-N 2 0 338.452 -0.839 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662833677 421104227 /nfs/dbraw/zinc/10/42/27/421104227.db2.gz UXHPCYOXZUOCMS-ZBFHGGJFSA-N 2 0 340.468 -0.201 20 0 EBADRP [NH3+]CCn1cc(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)nn1 ZINC000662859171 421104499 /nfs/dbraw/zinc/10/44/99/421104499.db2.gz KVBRHDKACVEPDE-OAHLLOKOSA-N 2 0 344.419 -0.267 20 0 EBADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000662905273 421107385 /nfs/dbraw/zinc/10/73/85/421107385.db2.gz AYZLBRKWDHVTDQ-KGLIPLIRSA-N 2 0 333.440 -0.850 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CCO1 ZINC000662948729 421115648 /nfs/dbraw/zinc/11/56/48/421115648.db2.gz ZWYDUECUYSUCPP-HUUCEWRRSA-N 2 0 340.468 -0.105 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000662953919 421117209 /nfs/dbraw/zinc/11/72/09/421117209.db2.gz REGBLDDNGXWCCQ-QLFBSQMISA-N 2 0 338.452 -0.767 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CCO1 ZINC000662955114 421117335 /nfs/dbraw/zinc/11/73/35/421117335.db2.gz PGZUDFCLLQBRMR-KGLIPLIRSA-N 2 0 326.441 -0.637 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC[C@H]1[NH3+] ZINC000662957080 421117748 /nfs/dbraw/zinc/11/77/48/421117748.db2.gz FDXUTAHVKLKYDN-RBSFLKMASA-N 2 0 340.468 -0.249 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CCO1 ZINC000662955116 421117811 /nfs/dbraw/zinc/11/78/11/421117811.db2.gz PGZUDFCLLQBRMR-ZIAGYGMSSA-N 2 0 326.441 -0.637 20 0 EBADRP CN(C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)C1CC[NH2+]CC1 ZINC000662954760 421117946 /nfs/dbraw/zinc/11/79/46/421117946.db2.gz ZDOFUQDVYQIEDT-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP O=C(NCC[NH+]1CCCOCC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664959435 421167334 /nfs/dbraw/zinc/16/73/34/421167334.db2.gz ZJEZKYKLKCKOPF-MRXNPFEDSA-N 2 0 340.468 -0.051 20 0 EBADRP C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)[C@H]2C1 ZINC000645622989 421207250 /nfs/dbraw/zinc/20/72/50/421207250.db2.gz NYHQHCPSYLOVLW-OCCSQVGLSA-N 2 0 340.387 0.368 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000418914331 264840212 /nfs/dbraw/zinc/84/02/12/264840212.db2.gz FHKPTGPZEVKAJT-KBPBESRZSA-N 2 0 326.441 -0.687 20 0 EBADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C[C@@H]1C[NH3+] ZINC000419590178 264880205 /nfs/dbraw/zinc/88/02/05/264880205.db2.gz SZHWYAMFUHTTQM-DVOMOZLQSA-N 2 0 342.509 -0.017 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000419849301 264895058 /nfs/dbraw/zinc/89/50/58/264895058.db2.gz YCTXIKIDBCECGY-CYBMUJFWSA-N 2 0 347.419 -0.393 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)c1 ZINC000419873121 264898659 /nfs/dbraw/zinc/89/86/59/264898659.db2.gz UXLDITQVUUFPEC-CQSZACIVSA-N 2 0 347.419 -0.408 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419921965 264905261 /nfs/dbraw/zinc/90/52/61/264905261.db2.gz YSEHKCZDIAKTCB-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])C1 ZINC000420009048 264913747 /nfs/dbraw/zinc/91/37/47/264913747.db2.gz VFZIWIHWEBGXIG-ZIAGYGMSSA-N 2 0 328.457 -0.201 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000423371246 265000645 /nfs/dbraw/zinc/00/06/45/265000645.db2.gz FHAMWJSJSPOQMJ-GFCCVEGCSA-N 2 0 333.392 -0.702 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000423447041 265004392 /nfs/dbraw/zinc/00/43/92/265004392.db2.gz OQPCNYWWVYSQIC-KBPBESRZSA-N 2 0 326.441 -0.495 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH2+]C)C2)C1 ZINC000423451413 265004629 /nfs/dbraw/zinc/00/46/29/265004629.db2.gz UZHWBMAAHPNKQL-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)CC[NH2+]1 ZINC000423675292 265031557 /nfs/dbraw/zinc/03/15/57/265031557.db2.gz HQEHDSJAAHNPPR-AWEZNQCLSA-N 2 0 327.473 -0.851 20 0 EBADRP COCC1(CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC[NH2+]CC1 ZINC000424171385 265049991 /nfs/dbraw/zinc/04/99/91/265049991.db2.gz KTKRIKBQXGSBNS-CYBMUJFWSA-N 2 0 336.440 -0.051 20 0 EBADRP C[C@H]1CC2(CN1C(=O)C(=O)NCCOCC[NH+](C)C)CC[NH2+]CC2 ZINC000424518388 265071166 /nfs/dbraw/zinc/07/11/66/265071166.db2.gz HTFUBWXGFNFPNX-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP CNC(=O)[C@@]1(C)CC[NH+](CC(O)C[N@H+]2CC[C@](C)(C(=O)NC)C2)C1 ZINC000430254952 265146430 /nfs/dbraw/zinc/14/64/30/265146430.db2.gz VWWMLGNMCPXTIY-IRXDYDNUSA-N 2 0 340.468 -0.737 20 0 EBADRP COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430652123 265152226 /nfs/dbraw/zinc/15/22/26/265152226.db2.gz MQJLWUWZYJWXEQ-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000430647891 265152269 /nfs/dbraw/zinc/15/22/69/265152269.db2.gz QQVFGKXFNBXQIT-LSDHHAIUSA-N 2 0 339.484 -0.674 20 0 EBADRP C[C@@H]1C[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[C@H]1[NH3+] ZINC000430929207 265156165 /nfs/dbraw/zinc/15/61/65/265156165.db2.gz NWMYGZYKFOYDCV-VXGBXAGGSA-N 2 0 334.424 -0.507 20 0 EBADRP CCS(=O)(=O)N(C)CCCNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433133703 265186123 /nfs/dbraw/zinc/18/61/23/265186123.db2.gz ZMMHBNZIAVSFPL-UHFFFAOYSA-N 2 0 348.513 -0.023 20 0 EBADRP COCC[N@H+](C)CCNC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000440977560 265299669 /nfs/dbraw/zinc/29/96/69/265299669.db2.gz FCAJVSPFHUFVCW-UHFFFAOYSA-N 2 0 329.489 -0.110 20 0 EBADRP CC[C@H](CO)[NH+]1CCN(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000441515643 265307611 /nfs/dbraw/zinc/30/76/11/265307611.db2.gz NBVJOAUZWKVMDX-NXOAAHMSSA-N 2 0 329.485 -0.155 20 0 EBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000442592651 265325022 /nfs/dbraw/zinc/32/50/22/265325022.db2.gz GYYVINCZYRZSLC-INIZCTEOSA-N 2 0 329.489 -0.376 20 0 EBADRP C[NH+](C)CCOCCNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000442586418 265326018 /nfs/dbraw/zinc/32/60/18/265326018.db2.gz SRMWCTTVAPODCM-UHFFFAOYSA-N 2 0 329.489 -0.110 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000419889080 272816065 /nfs/dbraw/zinc/81/60/65/272816065.db2.gz KRYSMSBOXCTNQA-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000420095976 272819245 /nfs/dbraw/zinc/81/92/45/272819245.db2.gz UADRYTNBLPDNLN-UHFFFAOYSA-N 2 0 347.419 -0.264 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000420155681 272822259 /nfs/dbraw/zinc/82/22/59/272822259.db2.gz LGRRKJFVADAMTB-MCIONIFRSA-N 2 0 328.457 -0.284 20 0 EBADRP COc1nn(C)cc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000530443876 272900731 /nfs/dbraw/zinc/90/07/31/272900731.db2.gz DIRUOGYABBKILD-UHFFFAOYSA-N 2 0 340.428 -0.681 20 0 EBADRP NC(=O)c1cccnc1N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262095188 274941259 /nfs/dbraw/zinc/94/12/59/274941259.db2.gz LSGPHUAEDKPABY-UHFFFAOYSA-N 2 0 346.435 -0.876 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000358722517 279361785 /nfs/dbraw/zinc/36/17/85/279361785.db2.gz OOVYMIQDJZTWDG-NVXWUHKLSA-N 2 0 341.500 -0.374 20 0 EBADRP CC(C)[C@H](CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)[NH+]1CCN(C)CC1 ZINC000358681798 280246817 /nfs/dbraw/zinc/24/68/17/280246817.db2.gz QBHXYYDXRDQUOX-RDJZCZTQSA-N 2 0 341.500 -0.376 20 0 EBADRP CC[C@@H]1CN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC[N@@H+]1CCOC ZINC000263077173 280349969 /nfs/dbraw/zinc/34/99/69/280349969.db2.gz CPRXBMGSUSPHPQ-HIFRSBDPSA-N 2 0 328.457 -0.345 20 0 EBADRP CC[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[N@@H+]1C[C@@H](C)O ZINC000333810900 280356290 /nfs/dbraw/zinc/35/62/90/280356290.db2.gz JGNVCDHTCCXMRZ-KFWWJZLASA-N 2 0 328.457 -0.149 20 0 EBADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000195519452 289160779 /nfs/dbraw/zinc/16/07/79/289160779.db2.gz QSKYKTPNUBBWCA-INIZCTEOSA-N 2 0 342.484 -0.931 20 0 EBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000351526460 295517366 /nfs/dbraw/zinc/51/73/66/295517366.db2.gz WYKIUHOIBKCUJE-GJZGRUSLSA-N 2 0 338.452 -0.575 20 0 EBADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000331751413 303405306 /nfs/dbraw/zinc/40/53/06/303405306.db2.gz AGAZJFLOPNFBFU-KKUMJFAQSA-N 2 0 337.468 -0.033 20 0 EBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000668633892 545725669 /nfs/dbraw/zinc/72/56/69/545725669.db2.gz UCYMAEZJDAVVRC-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000126992540 545738536 /nfs/dbraw/zinc/73/85/36/545738536.db2.gz HXBBUZSTUWYSTH-CQSZACIVSA-N 2 0 336.440 -0.016 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000127929635 545745955 /nfs/dbraw/zinc/74/59/55/545745955.db2.gz PDACQPLBMRVDRH-CQSZACIVSA-N 2 0 336.440 -0.064 20 0 EBADRP CCN(C(=O)C(=O)N[C@H]1CC[NH+](CCOC)C1)[C@H]1CC[N@H+](CC)C1 ZINC000668843447 545770406 /nfs/dbraw/zinc/77/04/06/545770406.db2.gz RGCVCHXNGABHRM-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000669403292 545868083 /nfs/dbraw/zinc/86/80/83/545868083.db2.gz SLQUEHPBGPSCFE-GJZGRUSLSA-N 2 0 337.468 -0.066 20 0 EBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000669491327 545881730 /nfs/dbraw/zinc/88/17/30/545881730.db2.gz VOEDIBGZEXCFLH-GJZGRUSLSA-N 2 0 337.468 -0.033 20 0 EBADRP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[C@H]1CN(C)CCO1 ZINC000672311435 545980821 /nfs/dbraw/zinc/98/08/21/545980821.db2.gz IGROUFWCQCXWOX-AEGPPILISA-N 2 0 338.452 -0.578 20 0 EBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000672596928 546113145 /nfs/dbraw/zinc/11/31/45/546113145.db2.gz HYQVXGDIMVPUFF-HUUCEWRRSA-N 2 0 339.484 -0.661 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(F)cn1 ZINC000672825228 546121521 /nfs/dbraw/zinc/12/15/21/546121521.db2.gz WOWMICWROAUNFQ-UHFFFAOYSA-N 2 0 339.415 -0.211 20 0 EBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000673352032 546137394 /nfs/dbraw/zinc/13/73/94/546137394.db2.gz KUVKOMAMCYOFIL-AWEZNQCLSA-N 2 0 328.457 -0.330 20 0 EBADRP O[C@@H]1C[C@H](O)C[NH+](Cc2ccccc2C[N@H+]2C[C@H](O)C[C@H](O)C2)C1 ZINC000674497793 546166830 /nfs/dbraw/zinc/16/68/30/546166830.db2.gz KTQCSGZNHFPXQN-USTZCAOPSA-N 2 0 336.432 -0.458 20 0 EBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3C[NH+]4CCN3CCC4)C2)CC1 ZINC000677887628 546239447 /nfs/dbraw/zinc/23/94/47/546239447.db2.gz DOSUESPQUXTIND-NVXWUHKLSA-N 2 0 335.496 -0.339 20 0 EBADRP OC[C@@H]1C[C@@H](O)C[NH+]1Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2CO)cc1 ZINC000681167403 546300480 /nfs/dbraw/zinc/30/04/80/546300480.db2.gz LNBQWYASLWMKTL-WNRNVDISSA-N 2 0 336.432 -0.458 20 0 EBADRP C[NH+](C)C[C@@](C)(O)CNc1nccnc1NC[C@](C)(O)C[NH+](C)C ZINC000167274195 546411734 /nfs/dbraw/zinc/41/17/34/546411734.db2.gz XAASYNYIJZOOJR-HOTGVXAUSA-N 2 0 340.472 -0.074 20 0 EBADRP C[NH+](C)C1CCN(CCNC(=O)[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000177155107 546413226 /nfs/dbraw/zinc/41/32/26/546413226.db2.gz XPJJDLBGNGHSNY-CQSZACIVSA-N 2 0 346.497 -0.447 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000891563185 582558346 /nfs/dbraw/zinc/55/83/46/582558346.db2.gz AQCNZKBVUCLMER-ILXRZTDVSA-N 2 0 325.457 -0.476 20 0 EBADRP O=C(NC[C@H]1CCC[NH2+]1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892000091 582565583 /nfs/dbraw/zinc/56/55/83/582565583.db2.gz PNJHKHLHPZUQBJ-CVEARBPZSA-N 2 0 339.484 -0.166 20 0 EBADRP CC[NH2+]CCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000891995676 582565623 /nfs/dbraw/zinc/56/56/23/582565623.db2.gz QVFODWABMKNPLT-HNNXBMFYSA-N 2 0 327.473 -0.308 20 0 EBADRP O=C(N[C@H]1CCC[NH2+]C1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892015899 582566023 /nfs/dbraw/zinc/56/60/23/582566023.db2.gz DBOOEDLCPBQLHM-HOTGVXAUSA-N 2 0 339.484 -0.166 20 0 EBADRP [NH3+]C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)C1CC1 ZINC000892029818 582566185 /nfs/dbraw/zinc/56/61/85/582566185.db2.gz WVTMCWZTRUKWBH-HZPDHXFCSA-N 2 0 339.484 -0.181 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892279748 582573091 /nfs/dbraw/zinc/57/30/91/582573091.db2.gz BFTKRGYWTHWNCS-QNSTZXKLSA-N 2 0 337.424 -0.297 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CCCO1 ZINC000892756693 582587039 /nfs/dbraw/zinc/58/70/39/582587039.db2.gz QHFPPIXBECWNAM-ZIAGYGMSSA-N 2 0 326.441 -0.096 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000892756094 582587120 /nfs/dbraw/zinc/58/71/20/582587120.db2.gz MOHODDARGABESX-IHRRRGAJSA-N 2 0 326.441 -0.097 20 0 EBADRP C[C@@H]1CC[N@H+](CCNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C1 ZINC000897466180 582690016 /nfs/dbraw/zinc/69/00/16/582690016.db2.gz PNGIVNKESDDBDJ-CQSZACIVSA-N 2 0 327.473 -0.010 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)C[C@H]1C[NH+](C)C ZINC000899157011 582746020 /nfs/dbraw/zinc/74/60/20/582746020.db2.gz AISIITTZBMIZDX-BFYDXBDKSA-N 3 0 338.496 -0.095 20 0 EBADRP CN(C)C(=O)CN1CCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000899976793 582758955 /nfs/dbraw/zinc/75/89/55/582758955.db2.gz FUWRDFJZJJLBEW-INIZCTEOSA-N 2 0 326.441 -0.934 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900574326 582772234 /nfs/dbraw/zinc/77/22/34/582772234.db2.gz IIDTXWOWMCHGND-RHSMWYFYSA-N 2 0 340.468 -0.546 20 0 EBADRP C[N@@H+]1CCC[C@@](O)(CC(=O)NCCCN2CCC[NH+](C)CC2)C1 ZINC000900700984 582779119 /nfs/dbraw/zinc/77/91/19/582779119.db2.gz UAPPKCUOSREGKR-QGZVFWFLSA-N 2 0 326.485 -0.023 20 0 EBADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000900693482 582779457 /nfs/dbraw/zinc/77/94/57/582779457.db2.gz UFVSNXFZRRKKQE-WBVHZDCISA-N 2 0 326.485 -0.074 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C23CC[NH+](CC2)C3)cn1 ZINC000900833337 582783451 /nfs/dbraw/zinc/78/34/51/582783451.db2.gz YGQHOJXUWRRPQM-UHFFFAOYSA-N 2 0 334.424 -0.405 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC000903586725 582812276 /nfs/dbraw/zinc/81/22/76/582812276.db2.gz VSPLFQFIRKBTGI-LSDHHAIUSA-N 2 0 330.498 -0.233 20 0 EBADRP O=C(CN1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)N1CCCC1 ZINC000903733165 582814759 /nfs/dbraw/zinc/81/47/59/582814759.db2.gz KPWRBTNQUCVMQH-WMZOPIPTSA-N 2 0 336.480 -0.005 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903735770 582815893 /nfs/dbraw/zinc/81/58/93/582815893.db2.gz DJZUXKZFJZZCCC-WMZOPIPTSA-N 2 0 336.480 -0.005 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903738343 582816405 /nfs/dbraw/zinc/81/64/05/582816405.db2.gz KDUZCHIWWAXUAT-CQSZACIVSA-N 2 0 342.484 -0.001 20 0 EBADRP O=C(N1CC[NH2+]CC1)N1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903769549 582817891 /nfs/dbraw/zinc/81/78/91/582817891.db2.gz IZWASTNQJIUINN-WBVHZDCISA-N 2 0 337.468 -0.602 20 0 EBADRP CNC(=O)NC[C@H]1CN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903769647 582818099 /nfs/dbraw/zinc/81/80/99/582818099.db2.gz LJVXELDGGPJEGB-KGLIPLIRSA-N 2 0 326.441 -0.225 20 0 EBADRP [NH3+]CC1(c2ccccc2)CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000903794212 582819901 /nfs/dbraw/zinc/81/99/01/582819901.db2.gz PPFLRLUQLHXUBH-UHFFFAOYSA-N 2 0 330.432 -0.063 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C[C@H]1C(F)(F)F ZINC000903777002 582820358 /nfs/dbraw/zinc/82/03/58/582820358.db2.gz ZSZSEDGJDLAYGD-IJLUTSLNSA-N 2 0 346.353 -0.193 20 0 EBADRP O=C(CN1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)N1CCOCC1 ZINC000903876989 582822719 /nfs/dbraw/zinc/82/27/19/582822719.db2.gz JQTHWXYISCMSFI-ALOPSCKCSA-N 2 0 336.480 -0.007 20 0 EBADRP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)cnn1C ZINC000903933935 582823695 /nfs/dbraw/zinc/82/36/95/582823695.db2.gz BKRAQCGRXBIHMU-AFAVFJNCSA-N 2 0 333.436 -0.169 20 0 EBADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804031472 583636100 /nfs/dbraw/zinc/63/61/00/583636100.db2.gz HBHNJFCTIRANQH-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804058362 583640567 /nfs/dbraw/zinc/64/05/67/583640567.db2.gz ZYYOBVPTSNUQHG-ZNMIVQPWSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[NH+]1CCCCC1 ZINC000842016248 584056324 /nfs/dbraw/zinc/05/63/24/584056324.db2.gz SNCCRTAODVBVRL-KBPBESRZSA-N 2 0 326.441 -0.447 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[NH+]1CCCCC1 ZINC000842016255 584056363 /nfs/dbraw/zinc/05/63/63/584056363.db2.gz SNCCRTAODVBVRL-ZIAGYGMSSA-N 2 0 326.441 -0.447 20 0 EBADRP CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000842165093 584058635 /nfs/dbraw/zinc/05/86/35/584058635.db2.gz RGVQHPVXDIHFRB-OLZOCXBDSA-N 2 0 326.441 -0.401 20 0 EBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000842165144 584058828 /nfs/dbraw/zinc/05/88/28/584058828.db2.gz TYSJAGSEQDVTGV-RBSFLKMASA-N 2 0 338.452 -0.434 20 0 EBADRP CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000842165095 584058917 /nfs/dbraw/zinc/05/89/17/584058917.db2.gz RGVQHPVXDIHFRB-STQMWFEESA-N 2 0 326.441 -0.401 20 0 EBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000844181644 584090198 /nfs/dbraw/zinc/09/01/98/584090198.db2.gz GAUAYHSSXYOCSM-KBPBESRZSA-N 2 0 326.441 -0.541 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C[C@H]1C[NH3+] ZINC000846331162 584124626 /nfs/dbraw/zinc/12/46/26/584124626.db2.gz OXFODTLXUCNXDK-APIJFGDWSA-N 2 0 340.468 -0.202 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNS(=O)(=O)NC(C)C ZINC000849104029 584165969 /nfs/dbraw/zinc/16/59/69/584165969.db2.gz JKPGXWPNUQMLID-GFCCVEGCSA-N 2 0 334.490 -0.583 20 0 EBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000851684923 584198344 /nfs/dbraw/zinc/19/83/44/584198344.db2.gz NDSLLFPWVMUQKX-BFHYXJOUSA-N 2 0 326.441 -0.545 20 0 EBADRP C[NH+]1CCN(c2cc(CNC(=O)C3=NO[C@@H](C[NH3+])C3)ccn2)CC1 ZINC000852872210 584218346 /nfs/dbraw/zinc/21/83/46/584218346.db2.gz CVEAQOLMGWBJMA-CYBMUJFWSA-N 2 0 332.408 -0.447 20 0 EBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)=NO1 ZINC000852874406 584218571 /nfs/dbraw/zinc/21/85/71/584218571.db2.gz OYFGNLMAIXNVFG-AVGNSLFASA-N 2 0 337.424 -0.803 20 0 EBADRP [NH3+]C[C@@H]1CC(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)=NO1 ZINC000852902374 584219692 /nfs/dbraw/zinc/21/96/92/584219692.db2.gz DRDBEWGQUIYLBV-CABCVRRESA-N 2 0 332.404 -0.027 20 0 EBADRP [NH3+]CCCCCCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000861647895 584332549 /nfs/dbraw/zinc/33/25/49/584332549.db2.gz JWVIQVUKTBPNER-UHFFFAOYSA-N 2 0 340.472 -0.142 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000861730447 584335605 /nfs/dbraw/zinc/33/56/05/584335605.db2.gz WINJWKPPMVLDPT-GOEBONIOSA-N 2 0 348.447 -0.191 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000863755564 584376583 /nfs/dbraw/zinc/37/65/83/584376583.db2.gz UEKZNEZZFTVYEH-ZFWWWQNUSA-N 3 0 339.484 -0.581 20 0 EBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000863755563 584376646 /nfs/dbraw/zinc/37/66/46/584376646.db2.gz UEKZNEZZFTVYEH-UKRRQHHQSA-N 3 0 339.484 -0.581 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCN2CCOCC2)C[C@H]1C[NH+](C)C ZINC000864408882 584386651 /nfs/dbraw/zinc/38/66/51/584386651.db2.gz IONTZBPYRSHWAG-HZPDHXFCSA-N 3 0 341.500 -0.301 20 0 EBADRP COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000866782911 584406559 /nfs/dbraw/zinc/40/65/59/584406559.db2.gz CKEZJCLEQZGQBK-HNNXBMFYSA-N 2 0 349.497 -0.405 20 0 EBADRP C[C@H](O)CCN(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867489327 584409402 /nfs/dbraw/zinc/40/94/02/584409402.db2.gz KBEWZDFIVQZJOM-RRFJBIMHSA-N 2 0 342.484 -0.587 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)CC[NH2+]1 ZINC000868389688 584427658 /nfs/dbraw/zinc/42/76/58/584427658.db2.gz SQOVDUPFUXILQR-AWEZNQCLSA-N 2 0 337.468 -0.955 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)CCO1 ZINC000868407581 584428663 /nfs/dbraw/zinc/42/86/63/584428663.db2.gz XWSAATKIIMANAF-STQMWFEESA-N 2 0 326.441 -0.496 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4CC[NH2+]CC4)C3)CC[C@@H]21 ZINC000868409271 584428940 /nfs/dbraw/zinc/42/89/40/584428940.db2.gz AZGDVNOSZZRXTI-PMPSAXMXSA-N 2 0 349.479 -0.955 20 0 EBADRP [NH3+]C[C@@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C[C@@H]1C(F)(F)F ZINC000871812815 584457493 /nfs/dbraw/zinc/45/74/93/584457493.db2.gz KYFAMANKZWCPEK-UTLUCORTSA-N 2 0 331.360 -0.626 20 0 EBADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000872190938 584459244 /nfs/dbraw/zinc/45/92/44/584459244.db2.gz GCNBOKBOKDXEDL-YRBFXIGRSA-N 2 0 334.464 -0.003 20 0 EBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872302182 584461373 /nfs/dbraw/zinc/46/13/73/584461373.db2.gz QWMJFHZVJZBJCP-VJTGRUKRSA-N 2 0 334.420 -0.208 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cn1 ZINC000873108366 584473142 /nfs/dbraw/zinc/47/31/42/584473142.db2.gz IMTDJNYGHFTEQC-BLLLJJGKSA-N 2 0 334.424 -0.549 20 0 EBADRP CN1CCn2nc(NC(=O)C(=O)N3CC[C@@H]4[C@H]3CCC[N@@H+]4C)cc2C1 ZINC000874368608 584481762 /nfs/dbraw/zinc/48/17/62/584481762.db2.gz DMEMYOWFAVVTPD-ZIAGYGMSSA-N 2 0 346.435 -0.038 20 0 EBADRP CCOCCCNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000874983383 584487488 /nfs/dbraw/zinc/48/74/88/584487488.db2.gz NWQQTEUVUYRCNP-HUUCEWRRSA-N 2 0 342.484 -0.273 20 0 EBADRP CC(C)OCCNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875249371 584495504 /nfs/dbraw/zinc/49/55/04/584495504.db2.gz YOAXLHJWSSKTRQ-HUUCEWRRSA-N 2 0 342.484 -0.275 20 0 EBADRP COC[C@@]1(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C[NH2+]CCO1 ZINC000876713577 584520978 /nfs/dbraw/zinc/52/09/78/584520978.db2.gz RCGISGBDBAICDR-GOEBONIOSA-N 2 0 329.441 -0.536 20 0 EBADRP COC[C@]1(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C[NH2+]CCO1 ZINC000876713579 584521004 /nfs/dbraw/zinc/52/10/04/584521004.db2.gz RCGISGBDBAICDR-ZBFHGGJFSA-N 2 0 329.441 -0.536 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)[C@@]2(COC)C[NH2+]CCO2)CC1 ZINC000876751659 584522005 /nfs/dbraw/zinc/52/20/05/584522005.db2.gz UTEHRNDUXPASHZ-INIZCTEOSA-N 2 0 329.441 -0.392 20 0 EBADRP COC[C@@]1(C(=O)NCC2CC[NH+](CCN(C)C)CC2)C[NH2+]CCO1 ZINC000876737067 584522009 /nfs/dbraw/zinc/52/20/09/584522009.db2.gz PIJLXDYFPJTRBD-QGZVFWFLSA-N 2 0 342.484 -0.619 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@]2(COC)C[NH2+]CCO2)CC1 ZINC000876782774 584523494 /nfs/dbraw/zinc/52/34/94/584523494.db2.gz USBCZWINCQRBRJ-NVXWUHKLSA-N 2 0 342.484 -0.619 20 0 EBADRP COC[C@@]1(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C[NH2+]CCO1 ZINC000876783851 584524018 /nfs/dbraw/zinc/52/40/18/584524018.db2.gz PAHVFCCCHXCQIU-DOTOQJQBSA-N 2 0 340.468 -0.770 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@]2(C[NH3+])CCCOC2)C[C@H]1C[NH+](C)C ZINC000877144010 584529130 /nfs/dbraw/zinc/52/91/30/584529130.db2.gz DPHYVVRJSIEOOC-INMHGKMJSA-N 3 0 326.485 -0.060 20 0 EBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]3[C@H](C[NH3+])C3(F)F)CC2)C1=O ZINC000877146557 584529425 /nfs/dbraw/zinc/52/94/25/584529425.db2.gz UMFHFSNBWZUZTM-TUAOUCFPSA-N 2 0 330.379 -0.362 20 0 EBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000877144500 584529482 /nfs/dbraw/zinc/52/94/82/584529482.db2.gz OEHYDXCCANAQQI-KCYZZUKISA-N 3 0 326.485 -0.049 20 0 EBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)CO[C@H]3CCC[NH2+]C3)CC2)C1=O ZINC000877146184 584529502 /nfs/dbraw/zinc/52/95/02/584529502.db2.gz PTSMMFQLDHEKNJ-GJZGRUSLSA-N 2 0 338.452 -0.434 20 0 EBADRP COC[C@]1(C(=O)N2C[C@@H](c3ccc(OC)cc3)[C@H]([NH3+])C2)C[NH2+]CCO1 ZINC000877239043 584530202 /nfs/dbraw/zinc/53/02/02/584530202.db2.gz JMXFPYKIWVSEDA-JZXOWHBKSA-N 2 0 349.431 -0.047 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N(CC[NH3+])CC(F)(F)F)CC1 ZINC000883471653 584601673 /nfs/dbraw/zinc/60/16/73/584601673.db2.gz UOHZHWWCIVIJCL-UHFFFAOYSA-N 2 0 346.419 -0.223 20 0 EBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1 ZINC000883638716 584604050 /nfs/dbraw/zinc/60/40/50/584604050.db2.gz VCJUMTIWCGNHRN-KGLIPLIRSA-N 2 0 331.420 -0.061 20 0 EBADRP CO[C@@H](C[NH3+])C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000884423433 584623276 /nfs/dbraw/zinc/62/32/76/584623276.db2.gz VYHQUGOQYALNGF-JSGCOSHPSA-N 2 0 336.440 -0.501 20 0 EBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NCCC(C)(C)[NH3+])CC1(C)C ZINC000884507617 584625058 /nfs/dbraw/zinc/62/50/58/584625058.db2.gz IHYKYGWKFSQZIM-UHFFFAOYSA-N 2 0 327.473 -0.628 20 0 EBADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC000884518759 584625663 /nfs/dbraw/zinc/62/56/63/584625663.db2.gz YZNHHNADPBTZAT-GJZGRUSLSA-N 2 0 346.431 -0.184 20 0 EBADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)CC1 ZINC000884543152 584626182 /nfs/dbraw/zinc/62/61/82/584626182.db2.gz WKVNMMAYBLHENV-HOCLYGCPSA-N 2 0 349.479 -0.766 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884587131 584628913 /nfs/dbraw/zinc/62/89/13/584628913.db2.gz BDMCMZMDOSQNGH-AWEZNQCLSA-N 2 0 342.484 -0.035 20 0 EBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCC[N@H+](C)CCCOC ZINC000884587448 584628948 /nfs/dbraw/zinc/62/89/48/584628948.db2.gz IUCBPKBXXNGOGG-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP CCN(C(=O)C(=O)NC1CC[NH+](CCCOC)CC1)[C@H]1CC[NH2+]C1 ZINC000884603660 584629379 /nfs/dbraw/zinc/62/93/79/584629379.db2.gz OLNWNBXFUQXCJW-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])C[NH+]1CCN(C)CC1 ZINC000884670369 584632702 /nfs/dbraw/zinc/63/27/02/584632702.db2.gz XMHTUPILRWYXED-CABCVRRESA-N 2 0 339.484 -0.674 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CCN1c1cc[nH+]cc1 ZINC000884688285 584634446 /nfs/dbraw/zinc/63/44/46/584634446.db2.gz XXXYRNCAEIMHRG-ZIAGYGMSSA-N 2 0 331.420 -0.013 20 0 EBADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000884707661 584635353 /nfs/dbraw/zinc/63/53/53/584635353.db2.gz UULBSVXGNDHFQY-WFASDCNBSA-N 2 0 331.420 -0.028 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000884824384 584639209 /nfs/dbraw/zinc/63/92/09/584639209.db2.gz XSKWHPHOPQPCHS-KCQAQPDRSA-N 2 0 331.420 -0.015 20 0 EBADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000884820163 584639346 /nfs/dbraw/zinc/63/93/46/584639346.db2.gz LXNKMGDEUVRTLP-UHFFFAOYSA-N 2 0 328.457 -0.153 20 0 EBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)CCO1 ZINC000884986220 584642223 /nfs/dbraw/zinc/64/22/23/584642223.db2.gz LDECAZANTNBBKS-SMOJQAGNSA-N 2 0 340.468 -0.060 20 0 EBADRP CN1Cc2ccccc2[C@H]1CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000885022222 584642769 /nfs/dbraw/zinc/64/27/69/584642769.db2.gz MLCHPIXSIDNMLZ-UKRRQHHQSA-N 2 0 332.404 -0.525 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885286483 584647202 /nfs/dbraw/zinc/64/72/02/584647202.db2.gz WQCGWWLLDURECW-NWDGAFQWSA-N 2 0 332.395 -0.052 20 0 EBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000887088013 584676021 /nfs/dbraw/zinc/67/60/21/584676021.db2.gz JQAWRHZZFANOEZ-CQSZACIVSA-N 2 0 325.457 -0.968 20 0 EBADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000887091268 584676288 /nfs/dbraw/zinc/67/62/88/584676288.db2.gz GGGDGXAVFYHQPI-KBPBESRZSA-N 2 0 331.420 -0.074 20 0 EBADRP CC[C@H](C(=O)N[C@H]1COC[C@H]1NC(=O)[C@H](CC)[NH+](C)C)[NH+](C)C ZINC000888042004 584684399 /nfs/dbraw/zinc/68/43/99/584684399.db2.gz OTUVVZOROJPHCM-LVEBTZEWSA-N 2 0 328.457 -0.333 20 0 EBADRP C[NH+]1CCCN(c2nc(C(N)=O)cc(N3CCC[N@@H+](C)CC3)n2)CC1 ZINC000891438676 650047463 /nfs/dbraw/zinc/04/74/63/650047463.db2.gz PXAWFJJCOCNGQN-UHFFFAOYSA-N 2 0 347.467 -0.141 20 0 EBADRP CC1([NH3+])CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000904991917 650056035 /nfs/dbraw/zinc/05/60/35/650056035.db2.gz YZJVOEVQSPNINN-KGLIPLIRSA-N 2 0 338.452 -0.616 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000904995178 650056735 /nfs/dbraw/zinc/05/67/35/650056735.db2.gz KHRMDMDAEJWWAV-HNNXBMFYSA-N 2 0 340.468 -0.188 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000904994499 650056891 /nfs/dbraw/zinc/05/68/91/650056891.db2.gz GYVBMRBWPSVZME-GJZGRUSLSA-N 2 0 336.436 -0.704 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000904999130 650057936 /nfs/dbraw/zinc/05/79/36/650057936.db2.gz XOEQGZRXCZXKGP-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP CC(C)[C@H](C[NH2+]C[C@@H](O)C[C@]1(O)CCOC1)N1CC[NH+](C)CC1 ZINC000905110241 650062150 /nfs/dbraw/zinc/06/21/50/650062150.db2.gz LHADOJARHAJYKZ-YESZJQIVSA-N 2 0 329.485 -0.250 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000905475161 650063795 /nfs/dbraw/zinc/06/37/95/650063795.db2.gz SBONHLIHMDZNBZ-IAGOWNOFSA-N 2 0 325.428 -0.073 20 0 EBADRP C[NH+](C)C[C@](C)(O)CNC(=O)c1cccn1CCN1CCOCC1 ZINC000907115695 650077036 /nfs/dbraw/zinc/07/70/36/650077036.db2.gz LEMVKRNOUGDWEP-QGZVFWFLSA-N 2 0 338.452 -0.137 20 0 EBADRP CN1CC[N@H+](C)CC(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000908002335 650092615 /nfs/dbraw/zinc/09/26/15/650092615.db2.gz SFXQTBXNNZQWCC-UHFFFAOYSA-N 2 0 325.501 -0.378 20 0 EBADRP CC[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)[C@H](CC)[NH+](C)C)[NH+](C)C ZINC000908374539 650100539 /nfs/dbraw/zinc/10/05/39/650100539.db2.gz YWHHZPAPJNVYMJ-RDBSUJKOSA-N 2 0 330.473 -0.398 20 0 EBADRP C[NH+](C)C1CC(NC(=O)CC(O)CC(=O)NC2CC([NH+](C)C)C2)C1 ZINC000908011119 650093663 /nfs/dbraw/zinc/09/36/63/650093663.db2.gz AVKILAALADBUAP-UHFFFAOYSA-N 2 0 340.468 -0.455 20 0 EBADRP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000908439337 650101983 /nfs/dbraw/zinc/10/19/83/650101983.db2.gz VHAJHEFKKKSOLV-YQVWRLOYSA-N 2 0 347.459 -0.023 20 0 EBADRP COC(=O)[C@H]1CN(C(=O)C[C@@]2(O)CCC[NH+](C)C2)CC[N@H+](C)C1 ZINC000910413377 650110812 /nfs/dbraw/zinc/11/08/12/650110812.db2.gz NIPWQXQCYKBRPE-CJNGLKHVSA-N 2 0 327.425 -0.604 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H]1[NH3+] ZINC000911034346 650147300 /nfs/dbraw/zinc/14/73/00/650147300.db2.gz NBLYZZBHQAPZCC-UMVBOHGHSA-N 2 0 337.468 -0.923 20 0 EBADRP CC(C)(CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)[NH+]1CCCCC1 ZINC000910957355 650141981 /nfs/dbraw/zinc/14/19/81/650141981.db2.gz KHDHFWUUTYPDGO-QGZVFWFLSA-N 2 0 340.468 -0.321 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000910950361 650142036 /nfs/dbraw/zinc/14/20/36/650142036.db2.gz OWZGUYHJGKAHMX-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000910964516 650142751 /nfs/dbraw/zinc/14/27/51/650142751.db2.gz WIBCVQLWJVLGGZ-GHMZBOCLSA-N 2 0 336.358 -0.065 20 0 EBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC000910980129 650143061 /nfs/dbraw/zinc/14/30/61/650143061.db2.gz YTKBTEDERCWION-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000911039912 650147436 /nfs/dbraw/zinc/14/74/36/650147436.db2.gz LWFMVHLGAUNWPZ-UKRRQHHQSA-N 2 0 340.468 -0.202 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C[NH3+])[C@H](C)C2)CC1 ZINC000911004124 650144742 /nfs/dbraw/zinc/14/47/42/650144742.db2.gz NBYRUOTXHISKOK-ZIAGYGMSSA-N 2 0 340.468 -0.343 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)Cc1ccccc1 ZINC000911001080 650144801 /nfs/dbraw/zinc/14/48/01/650144801.db2.gz GAGNEVTXHFGEJW-SFHVURJKSA-N 2 0 348.447 -0.453 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000911015262 650145623 /nfs/dbraw/zinc/14/56/23/650145623.db2.gz NPIYQKQQGMBRMP-HNNXBMFYSA-N 2 0 345.403 -0.213 20 0 EBADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000911013978 650145669 /nfs/dbraw/zinc/14/56/69/650145669.db2.gz GMJXCQYCXBZKBF-CZUORRHYSA-N 2 0 326.441 -0.853 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000911014391 650145866 /nfs/dbraw/zinc/14/58/66/650145866.db2.gz JSLJRSOREUXYMD-ZIAGYGMSSA-N 2 0 326.441 -0.719 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000911022358 650146398 /nfs/dbraw/zinc/14/63/98/650146398.db2.gz LRURRRLYNOZOHH-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000911023255 650146413 /nfs/dbraw/zinc/14/64/13/650146413.db2.gz SBUPEXJCXFUWKF-KRWDZBQOSA-N 2 0 340.468 -0.463 20 0 EBADRP CCCC[N@H+](C)CCNC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911138564 650153512 /nfs/dbraw/zinc/15/35/12/650153512.db2.gz SJABSBWKFZIQEK-UHFFFAOYSA-N 2 0 327.473 -0.626 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000911091664 650150734 /nfs/dbraw/zinc/15/07/34/650150734.db2.gz OJEXHUCFRVUTSE-WMLDXEAASA-N 2 0 340.468 -0.465 20 0 EBADRP CCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000911113582 650152131 /nfs/dbraw/zinc/15/21/31/650152131.db2.gz KBRJTNJSMAYYEX-KRWDZBQOSA-N 2 0 340.468 -0.321 20 0 EBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000911136583 650153208 /nfs/dbraw/zinc/15/32/08/650153208.db2.gz AMHFACBGWHHIFB-UHFFFAOYSA-N 2 0 328.457 -0.199 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911149180 650155151 /nfs/dbraw/zinc/15/51/51/650155151.db2.gz VBPCKZPXDXDJJY-CKEIUWERSA-N 2 0 336.436 -0.680 20 0 EBADRP C[C@H](NC(=O)C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+])[C@@H]1CN(C)CCO1 ZINC000911161599 650155322 /nfs/dbraw/zinc/15/53/22/650155322.db2.gz JIYMNSSBZSAILV-LOUJCGABSA-N 2 0 338.452 -0.448 20 0 EBADRP C[C@H](NC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1)[C@@H]1CN(C)CCO1 ZINC000911161330 650155356 /nfs/dbraw/zinc/15/53/56/650155356.db2.gz HWTSIKHZMWTGGK-IHRRRGAJSA-N 2 0 326.441 -0.530 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000911162901 650156320 /nfs/dbraw/zinc/15/63/20/650156320.db2.gz SJDHZTBHEZTULW-JALIKCBVSA-N 2 0 338.452 -0.435 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000911188308 650157681 /nfs/dbraw/zinc/15/76/81/650157681.db2.gz VWZPLRYLMLTPLF-HNNXBMFYSA-N 2 0 339.484 -0.530 20 0 EBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000911186381 650157819 /nfs/dbraw/zinc/15/78/19/650157819.db2.gz IOYQPKSDRXKPKV-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CC1CCC(NC(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000911187746 650157940 /nfs/dbraw/zinc/15/79/40/650157940.db2.gz PNKJHHZNGMEMQP-UHFFFAOYSA-N 2 0 339.484 -0.756 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CCSC1 ZINC000911199067 650159119 /nfs/dbraw/zinc/15/91/19/650159119.db2.gz JSPPYIZGHNFUNY-JKSUJKDBSA-N 2 0 340.493 -0.106 20 0 EBADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)C(C)C ZINC000911226702 650160657 /nfs/dbraw/zinc/16/06/57/650160657.db2.gz AFQNLAILBSTDKV-QGZVFWFLSA-N 2 0 342.484 -0.076 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000911231297 650161434 /nfs/dbraw/zinc/16/14/34/650161434.db2.gz LWEWYCKVGYFDRL-BBRMVZONSA-N 2 0 326.441 -0.589 20 0 EBADRP C[C@@H](CCNC(=O)C(=O)N1CCNCC[NH2+]CC1)[NH+]1CCCCC1 ZINC000911241911 650162583 /nfs/dbraw/zinc/16/25/83/650162583.db2.gz GCYQGGAKPOJEFS-HNNXBMFYSA-N 2 0 339.484 -0.612 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911257068 650163527 /nfs/dbraw/zinc/16/35/27/650163527.db2.gz CRCAZSOWTYBQMR-CZUORRHYSA-N 2 0 326.441 -0.671 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000911269352 650164241 /nfs/dbraw/zinc/16/42/41/650164241.db2.gz JUCDFUDMPPCCRK-QLFBSQMISA-N 2 0 338.452 -0.434 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000911268279 650164647 /nfs/dbraw/zinc/16/46/47/650164647.db2.gz CHKPTMWESQYLST-UONOGXRCSA-N 2 0 326.441 -0.719 20 0 EBADRP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000911239012 650162187 /nfs/dbraw/zinc/16/21/87/650162187.db2.gz XVSUZPJLPIZHDT-WMLDXEAASA-N 2 0 338.452 -0.568 20 0 EBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000911310783 650169694 /nfs/dbraw/zinc/16/96/94/650169694.db2.gz NKBFMYYFIQBRQE-CYBMUJFWSA-N 2 0 326.441 -0.671 20 0 EBADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)c1cccnc1 ZINC000911312154 650170242 /nfs/dbraw/zinc/17/02/42/650170242.db2.gz VQSCOBIYYBTPKB-HUUCEWRRSA-N 2 0 349.435 -0.705 20 0 EBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000911324653 650171132 /nfs/dbraw/zinc/17/11/32/650171132.db2.gz ISKJXEPWPBHALW-LMLFDSFASA-N 2 0 336.358 -0.209 20 0 EBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000911336108 650172140 /nfs/dbraw/zinc/17/21/40/650172140.db2.gz FJPVCFWUGRJDOX-GMTAPVOTSA-N 2 0 336.358 -0.065 20 0 EBADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000911357618 650174402 /nfs/dbraw/zinc/17/44/02/650174402.db2.gz GRSVWIZCSTVTOZ-QWFMPGPPSA-N 2 0 340.468 -0.322 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1)C[NH+](C)C ZINC000911359733 650174985 /nfs/dbraw/zinc/17/49/85/650174985.db2.gz WDISEYBVBIUQIS-KGLIPLIRSA-N 2 0 342.484 -0.036 20 0 EBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[NH2+]CCC3(F)F)C[C@]2(C)C1 ZINC000911368205 650175617 /nfs/dbraw/zinc/17/56/17/650175617.db2.gz OOQUDLCMUSUCDN-JMSVASOKSA-N 2 0 344.406 -0.243 20 0 EBADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCSC[C@H]23)C1 ZINC000911419366 650181808 /nfs/dbraw/zinc/18/18/08/650181808.db2.gz MSWXQJNOWICGQL-BFHYXJOUSA-N 2 0 340.493 -0.250 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCSC[C@@H]23)CC[C@H]1[NH3+] ZINC000911419322 650181845 /nfs/dbraw/zinc/18/18/45/650181845.db2.gz MJJXNHXAQOQZKA-SYQHCUMBSA-N 2 0 340.493 -0.122 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCSC[C@H]23)CC[C@@H]1[NH3+] ZINC000911419324 650181914 /nfs/dbraw/zinc/18/19/14/650181914.db2.gz MJJXNHXAQOQZKA-XJFOESAGSA-N 2 0 340.493 -0.122 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+])C[NH+](C)C ZINC000911433994 650183417 /nfs/dbraw/zinc/18/34/17/650183417.db2.gz GTKWVZCREDTQOR-MJBXVCDLSA-N 2 0 328.457 -0.202 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)C[NH+](C)C ZINC000911435370 650183476 /nfs/dbraw/zinc/18/34/76/650183476.db2.gz LYESAAIAQAXZJF-ZDUSSCGKSA-N 2 0 326.441 -0.576 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])C[NH+](C)C ZINC000911433918 650183509 /nfs/dbraw/zinc/18/35/09/650183509.db2.gz FBHBBPXXEUFEFF-MCIONIFRSA-N 2 0 328.457 -0.345 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C(C)C)C[NH+](C)C ZINC000911437187 650184179 /nfs/dbraw/zinc/18/41/79/650184179.db2.gz ZMUZTAWJCJMPRG-UONOGXRCSA-N 2 0 328.457 -0.474 20 0 EBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000911490800 650188376 /nfs/dbraw/zinc/18/83/76/650188376.db2.gz UTICOOPTBHJPSL-GBJTYRQASA-N 2 0 338.452 -0.712 20 0 EBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911518707 650189809 /nfs/dbraw/zinc/18/98/09/650189809.db2.gz AOXSMQUGPLMQNI-AWEZNQCLSA-N 2 0 339.484 -0.804 20 0 EBADRP [NH3+]CCCn1ccc(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000911703381 650195660 /nfs/dbraw/zinc/19/56/60/650195660.db2.gz ZFPWJCOMRFALPE-CQSZACIVSA-N 2 0 348.451 -0.484 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911559246 650193418 /nfs/dbraw/zinc/19/34/18/650193418.db2.gz WJMIQMSGBGCWTL-HNNXBMFYSA-N 3 0 341.500 -0.413 20 0 EBADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000912303234 650202242 /nfs/dbraw/zinc/20/22/42/650202242.db2.gz JASXPHNHYKYSNQ-HNNXBMFYSA-N 2 0 327.517 -0.132 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)CNC(=O)N2CCCC2)C[C@H]1C[NH+](C)C ZINC000913438860 650233459 /nfs/dbraw/zinc/23/34/59/650233459.db2.gz XSDCGEOACKKDNY-HUUCEWRRSA-N 2 0 339.484 -0.010 20 0 EBADRP CN(CC(=O)N1CCN(C)CC1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000913683429 650243038 /nfs/dbraw/zinc/24/30/38/650243038.db2.gz CDPSOLRGJMNRQZ-INIZCTEOSA-N 2 0 326.441 -0.934 20 0 EBADRP CN1CCN(c2cc[nH+]c(NC(=O)[C@H]3OCCN(C)C3=O)c2)CC1 ZINC000913664268 650243113 /nfs/dbraw/zinc/24/31/13/650243113.db2.gz DZDMWWCCVCWMJQ-CQSZACIVSA-N 2 0 333.392 -0.371 20 0 EBADRP CNC(=O)c1nc(C2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)n[nH]1 ZINC000923417044 650339530 /nfs/dbraw/zinc/33/95/30/650339530.db2.gz STZRPKIHCBSDBM-LBPRGKRZSA-N 2 0 334.424 -0.278 20 0 EBADRP C[NH+](C)[C@H](CNC(=O)CN1CCNCC[NH2+]CC1)c1ccccc1 ZINC000923460080 650341309 /nfs/dbraw/zinc/34/13/09/650341309.db2.gz PHZUUWQVVYMPQY-QGZVFWFLSA-N 2 0 333.480 -0.100 20 0 EBADRP O=C(CCN1CC[NH2+]CC[NH2+]CC1)N1CCN(c2ncccn2)CC1 ZINC000923462215 650341351 /nfs/dbraw/zinc/34/13/51/650341351.db2.gz DVHCWLKLUHWQCH-UHFFFAOYSA-N 2 0 347.467 -0.990 20 0 EBADRP C[NH+]1CCN(c2ncccc2CNS(=O)(=O)C2C[NH2+]C2)CC1 ZINC000923598119 650346226 /nfs/dbraw/zinc/34/62/26/650346226.db2.gz ILBJSUZDMTVZSO-UHFFFAOYSA-N 2 0 325.438 -0.775 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923626274 650349284 /nfs/dbraw/zinc/34/92/84/650349284.db2.gz NMZAYUXIHRYWOC-AWEZNQCLSA-N 2 0 334.486 -0.431 20 0 EBADRP O=S(=O)(NC1CCC(N2CC[NH2+]CC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000923648298 650350572 /nfs/dbraw/zinc/35/05/72/650350572.db2.gz WYDBJXUCGMFWFY-NRXISQOPSA-N 2 0 330.498 -0.126 20 0 EBADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH+](C)C ZINC000923661123 650351104 /nfs/dbraw/zinc/35/11/04/650351104.db2.gz BOYVGNMLTAQSPT-RBSFLKMASA-N 3 0 332.514 -0.261 20 0 EBADRP [NH3+]C[C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CC[C@H]1C(F)(F)F ZINC000923661495 650351407 /nfs/dbraw/zinc/35/14/07/650351407.db2.gz KRMVZZOGJWIEIU-NXEZZACHSA-N 2 0 330.376 -0.405 20 0 EBADRP O=S(=O)([C@H]1CCC[NH2+]C1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000923673572 650351874 /nfs/dbraw/zinc/35/18/74/650351874.db2.gz KPYPAMJNINHMBW-XHSDSOJGSA-N 2 0 342.509 -0.031 20 0 EBADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCN1CCN(S(C)(=O)=O)CC1 ZINC000924949202 650369920 /nfs/dbraw/zinc/36/99/20/650369920.db2.gz IZNQCUAESLNFCN-YIONKMFJSA-N 2 0 330.498 -0.507 20 0 EBADRP C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000924984229 650371310 /nfs/dbraw/zinc/37/13/10/650371310.db2.gz PUWFBHBBWSYCHR-JFIYKMOQSA-N 2 0 333.432 -0.195 20 0 EBADRP c1cnc(N2CC[NH+](CCCC[NH2+][C@H]3CNCCOC3)CC2)nc1 ZINC000925493757 650379436 /nfs/dbraw/zinc/37/94/36/650379436.db2.gz YYJLZNSMWLNFKU-INIZCTEOSA-N 2 0 334.468 -0.043 20 0 EBADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000925449225 650379609 /nfs/dbraw/zinc/37/96/09/650379609.db2.gz LLZKNQPEDLCJLF-MNTYIPCHSA-N 2 0 336.480 -0.151 20 0 EBADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926339186 650387504 /nfs/dbraw/zinc/38/75/04/650387504.db2.gz DDIVEHFVSTXDES-HUUCEWRRSA-N 2 0 337.468 -0.907 20 0 EBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926341857 650387602 /nfs/dbraw/zinc/38/76/02/650387602.db2.gz HDWIRNYHHCUREO-YOEHRIQHSA-N 2 0 340.468 -0.369 20 0 EBADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000926333597 650386683 /nfs/dbraw/zinc/38/66/83/650386683.db2.gz RYVZOPMCHXZKIU-UMVBOHGHSA-N 2 0 340.468 -0.657 20 0 EBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000926347221 650388047 /nfs/dbraw/zinc/38/80/47/650388047.db2.gz DTYSJQQCDKTOLO-CAOSSQGBSA-N 2 0 334.464 -0.003 20 0 EBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926350149 650388258 /nfs/dbraw/zinc/38/82/58/650388258.db2.gz DGJRWIACHTVOSP-UHFFFAOYSA-N 2 0 339.484 -0.658 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000926352425 650388507 /nfs/dbraw/zinc/38/85/07/650388507.db2.gz NUTLVXXBZBMTBJ-QLFBSQMISA-N 2 0 340.468 -0.249 20 0 EBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926362115 650389526 /nfs/dbraw/zinc/38/95/26/650389526.db2.gz VINKGFFQYURGQB-KEYYUXOJSA-N 2 0 338.452 -0.616 20 0 EBADRP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CCC1(C)C ZINC000926390037 650390832 /nfs/dbraw/zinc/39/08/32/650390832.db2.gz IWDZPTJWNCYJMG-MRXNPFEDSA-N 2 0 326.441 -0.759 20 0 EBADRP C[NH+](C)CC1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000926414586 650392217 /nfs/dbraw/zinc/39/22/17/650392217.db2.gz YYTMLSHRXFFNOL-MRXNPFEDSA-N 2 0 326.441 -0.901 20 0 EBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000929748795 651563489 /nfs/dbraw/zinc/56/34/89/651563489.db2.gz CGSAWYQSEXWVHR-KFWWJZLASA-N 2 0 340.468 -0.500 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C[NH+](C)C ZINC000930490987 651598973 /nfs/dbraw/zinc/59/89/73/651598973.db2.gz KAEQNJPXNVAJCA-BPLDGKMQSA-N 2 0 340.468 -0.332 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C[NH+](C)C ZINC000930947794 651617112 /nfs/dbraw/zinc/61/71/12/651617112.db2.gz DRRIMJDUUHVMLY-MJBXVCDLSA-N 2 0 328.457 -0.474 20 0 EBADRP COC(=O)CCN1CC[C@@H]([NH+]2CCC(O)(C[NH+](C)C)CC2)C1=O ZINC000931481365 651634389 /nfs/dbraw/zinc/63/43/89/651634389.db2.gz RGQYGVFEXGAGPA-CYBMUJFWSA-N 2 0 327.425 -0.461 20 0 EBADRP CC1(C)CNC(=O)[C@H]1[NH2+]CCOCC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931651844 651640861 /nfs/dbraw/zinc/64/08/61/651640861.db2.gz BSVVJLSBZBRENE-VXGBXAGGSA-N 2 0 326.441 -0.769 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)C[NH+](C)C ZINC000932463660 651680819 /nfs/dbraw/zinc/68/08/19/651680819.db2.gz IIDYESXBYJEHSZ-GRDNDAEWSA-N 2 0 340.468 -0.521 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)C[NH+](C)C ZINC000932470994 651683153 /nfs/dbraw/zinc/68/31/53/651683153.db2.gz CYGBUEWZJAVTFD-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)C[NH+](C)C ZINC000932471668 651683764 /nfs/dbraw/zinc/68/37/64/651683764.db2.gz IHPNDGSYGLCWNQ-KBPBESRZSA-N 2 0 328.457 -0.378 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C2C[NH+](C[C@H]3CCOC3)C2)CC1 ZINC000941345000 652682157 /nfs/dbraw/zinc/68/21/57/652682157.db2.gz MXTILWCXIDRASF-NVXWUHKLSA-N 2 0 336.480 -0.055 20 0 EBADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC000939054839 652818510 /nfs/dbraw/zinc/81/85/10/652818510.db2.gz PWTRCLSOQGWQEJ-DGCLKSJQSA-N 2 0 336.440 -0.613 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC000944517618 652826503 /nfs/dbraw/zinc/82/65/03/652826503.db2.gz WCPAORQTSBSRFK-HUUCEWRRSA-N 2 0 338.452 -0.480 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1)[NH+](C)C ZINC000941865715 652935387 /nfs/dbraw/zinc/93/53/87/652935387.db2.gz RVIFIIUJMZYDIO-QLFBSQMISA-N 2 0 340.468 -0.236 20 0 EBADRP C[NH+](C)C1(C(=O)N2CCC(O)(C[NH2+][C@H]3CCNC3=O)CC2)CCC1 ZINC000946925808 653272290 /nfs/dbraw/zinc/27/22/90/653272290.db2.gz UVDDWPCSHRQAJP-ZDUSSCGKSA-N 2 0 338.452 -0.698 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC2(CC1)C[NH+](CCO)CCO2 ZINC000949470751 653900788 /nfs/dbraw/zinc/90/07/88/653900788.db2.gz IXIMOVPLEWPNKT-LSDHHAIUSA-N 2 0 325.453 -0.130 20 0 EBADRP Cc1cncn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC000952407067 654453530 /nfs/dbraw/zinc/45/35/30/654453530.db2.gz AXGSFAJEAKJSRJ-BPLDGKMQSA-N 2 0 349.435 -0.515 20 0 EBADRP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]3C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)C[C@H]2C1 ZINC000935694201 719472027 /nfs/dbraw/zinc/47/20/27/719472027.db2.gz KJCSWASWDKJIIF-QGYQQZFISA-N 2 0 346.475 -0.338 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCN3C(=O)CNC3=O)C[C@H]21 ZINC000958414805 722362609 /nfs/dbraw/zinc/36/26/09/722362609.db2.gz KVCKYAMJVLNVPK-SFDCQRBFSA-N 2 0 349.435 -0.931 20 0 EBADRP O=C(NC[C@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958595669 722398449 /nfs/dbraw/zinc/39/84/49/722398449.db2.gz UDYSUYJPXZUOKC-HOTGVXAUSA-N 2 0 337.464 -0.082 20 0 EBADRP O=C(NC[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958595069 722398529 /nfs/dbraw/zinc/39/85/29/722398529.db2.gz PCZZHVITNWLTLQ-GJZGRUSLSA-N 2 0 333.436 -0.612 20 0 EBADRP Cc1ncoc1C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958596028 722398695 /nfs/dbraw/zinc/39/86/95/722398695.db2.gz YBAZVGLGJQKNAQ-UONOGXRCSA-N 2 0 334.420 -0.012 20 0 EBADRP CN(C(=O)Cn1ccnc1)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000958881373 722634857 /nfs/dbraw/zinc/63/48/57/722634857.db2.gz UFLJPSHTBUGNSC-RDBSUJKOSA-N 2 0 335.408 -0.993 20 0 EBADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000958913849 722653220 /nfs/dbraw/zinc/65/32/20/722653220.db2.gz JIRDPBZRZOPFQD-KBXIAJHMSA-N 2 0 338.452 -0.938 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21)C12CCC[NH+]1CCC2 ZINC000960792259 722865411 /nfs/dbraw/zinc/86/54/11/722865411.db2.gz PBXHGSAAAFTOKQ-FICVDOATSA-N 2 0 330.436 -0.047 20 0 EBADRP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC000961594730 723042492 /nfs/dbraw/zinc/04/24/92/723042492.db2.gz HZUMCAAXDSEDCK-JONQDZQNSA-N 2 0 334.464 -0.051 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]Cc2nnc3n2CCOC3)C1 ZINC000961642838 723051089 /nfs/dbraw/zinc/05/10/89/723051089.db2.gz XGBNEXYNICEECN-JXQTWKCFSA-N 2 0 348.451 -0.113 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000962295636 723219773 /nfs/dbraw/zinc/21/97/73/723219773.db2.gz GJXCXFZPCGPPPL-NYTXWWLZSA-N 2 0 342.447 -0.092 20 0 EBADRP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001019131438 728806608 /nfs/dbraw/zinc/80/66/08/728806608.db2.gz UPTVSLUUUNKQDU-GXTWGEPZSA-N 2 0 340.387 -0.040 20 0 EBADRP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001019151373 728809434 /nfs/dbraw/zinc/80/94/34/728809434.db2.gz WVPALLIPRBKURV-GXTWGEPZSA-N 2 0 341.371 -0.056 20 0 EBADRP Cc1nccn1CC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000964130734 723826607 /nfs/dbraw/zinc/82/66/07/723826607.db2.gz UZBPIPLKCYOMTJ-HUUCEWRRSA-N 2 0 349.435 -0.371 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CC[N@@H+]1C ZINC001019290268 728849135 /nfs/dbraw/zinc/84/91/35/728849135.db2.gz YKHGHYLZFKAVSH-XUXIUFHCSA-N 2 0 336.436 -0.288 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2COCCN2C(=O)C[NH+]2CCCC2)C1 ZINC000964190693 723871360 /nfs/dbraw/zinc/87/13/60/723871360.db2.gz LTBQXAIGSBONFL-LSDHHAIUSA-N 2 0 338.452 -0.623 20 0 EBADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1)C(N)=O ZINC001019497227 728901334 /nfs/dbraw/zinc/90/13/34/728901334.db2.gz PIFMJSHJEOWRAR-UONOGXRCSA-N 2 0 336.440 -0.487 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@H]([NH2+][C@@H]3CCNC3=O)C2)cn1 ZINC001019497247 728901339 /nfs/dbraw/zinc/90/13/39/728901339.db2.gz PURRRKBKFYUXKL-UONOGXRCSA-N 2 0 334.424 -0.863 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000968629367 725091352 /nfs/dbraw/zinc/09/13/52/725091352.db2.gz IZAVEFFYZOBCIM-KFWWJZLASA-N 2 0 338.452 -0.746 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC000968728297 725109814 /nfs/dbraw/zinc/10/98/14/725109814.db2.gz GVWVSIGEOCQQKV-JHJVBQTASA-N 2 0 337.424 -0.931 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CC[C@H]([NH2+][C@H]3CCCNC3=O)C2)CC1 ZINC001019574477 728925511 /nfs/dbraw/zinc/92/55/11/728925511.db2.gz DYWZLTHMGFIDQB-ZFWWWQNUSA-N 2 0 338.452 -0.434 20 0 EBADRP O=C(N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)C12CCC[NH+]1CCC2 ZINC000969200144 725161225 /nfs/dbraw/zinc/16/12/25/725161225.db2.gz UBQBOMVQXVWBPO-CYBMUJFWSA-N 2 0 349.435 -0.643 20 0 EBADRP O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1)N1CCC1 ZINC000969407756 725177137 /nfs/dbraw/zinc/17/71/37/725177137.db2.gz UIUQFXWFABDCMH-DGSCNEQVSA-N 2 0 348.447 -0.728 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000969947650 725230863 /nfs/dbraw/zinc/23/08/63/725230863.db2.gz FNVQYJHPZCIMIY-QWHCGFSZSA-N 2 0 337.424 -0.787 20 0 EBADRP CC1CC[NH+](CC(=O)N[C@@H]2CN(C(=O)Cc3cnc[nH]3)C[C@@H]2O)CC1 ZINC000970071548 725247264 /nfs/dbraw/zinc/24/72/64/725247264.db2.gz KLLNBPQFTQCJQY-CABCVRRESA-N 2 0 349.435 -0.628 20 0 EBADRP O=C(CC[NH+]1CCCCC1)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC000970791892 725328765 /nfs/dbraw/zinc/32/87/65/725328765.db2.gz BJWULDJDQJYVHK-ZIAGYGMSSA-N 2 0 336.436 -0.142 20 0 EBADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCN2C(=O)CCC2=O)C1 ZINC000970877672 725336762 /nfs/dbraw/zinc/33/67/62/725336762.db2.gz IDECVONCNCEVKO-CHWSQXEVSA-N 2 0 336.436 -0.476 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCN2CCNC2=O)C1)C1CC1 ZINC000971681053 725430047 /nfs/dbraw/zinc/43/00/47/725430047.db2.gz BDXDIGVLVBODGK-HUUCEWRRSA-N 2 0 337.468 -0.116 20 0 EBADRP CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CCO2)C1=O ZINC001051650668 735292142 /nfs/dbraw/zinc/29/21/42/735292142.db2.gz CQVZGDGAVBBWMW-KBPBESRZSA-N 2 0 338.452 -0.482 20 0 EBADRP C[N@H+](CCN1C(=O)CNC1=O)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972739946 725589481 /nfs/dbraw/zinc/58/94/81/725589481.db2.gz JDTMROUSKNKUFJ-CYBMUJFWSA-N 2 0 349.435 -0.833 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC(NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000991895804 725670347 /nfs/dbraw/zinc/67/03/47/725670347.db2.gz UACOIVUHFMYILI-CJNGLKHVSA-N 2 0 334.464 -0.003 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NC2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC000992014732 725701788 /nfs/dbraw/zinc/70/17/88/725701788.db2.gz DZNTVTYALWRCRV-HNNXBMFYSA-N 2 0 348.451 -0.521 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995168550 726180142 /nfs/dbraw/zinc/18/01/42/726180142.db2.gz ORLQVLSYDPSTGG-QWHCGFSZSA-N 2 0 333.440 -0.320 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000976279640 726251779 /nfs/dbraw/zinc/25/17/79/726251779.db2.gz MAFGXLVUNMRFNS-LJISPDSOSA-N 2 0 332.448 -0.251 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000976285040 726254051 /nfs/dbraw/zinc/25/40/51/726254051.db2.gz MESGCLPMBRDABK-DEQQHWRFSA-N 2 0 334.464 -0.005 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)C[C@H]32)C1 ZINC000976539900 726340149 /nfs/dbraw/zinc/34/01/49/726340149.db2.gz LBWPSRWJTBEWNN-MTSZKFMLSA-N 2 0 346.475 -0.147 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)C1 ZINC000976540239 726340316 /nfs/dbraw/zinc/34/03/16/726340316.db2.gz NOHAXLAVUKDGIU-KBXIAJHMSA-N 2 0 332.448 -0.393 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC000976540940 726340736 /nfs/dbraw/zinc/34/07/36/726340736.db2.gz PHJNWDVVBVCIJR-OWYFMNJBSA-N 2 0 334.464 -0.149 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC000976542851 726341860 /nfs/dbraw/zinc/34/18/60/726341860.db2.gz XWFYSTQKMRATNX-NBFUAULTSA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000976550487 726345804 /nfs/dbraw/zinc/34/58/04/726345804.db2.gz YNKLKSGKHUMEOR-NMNMXBMNSA-N 2 0 334.464 -0.147 20 0 EBADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC000996518617 726409939 /nfs/dbraw/zinc/40/99/39/726409939.db2.gz FQUMOXXZWFLWRM-QWHCGFSZSA-N 2 0 348.447 -0.286 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CCC([NH2+][C@H]3CCNC3=O)CC2)n1 ZINC000996580074 726418984 /nfs/dbraw/zinc/41/89/84/726418984.db2.gz HDKBSRILUBHIIE-AWEZNQCLSA-N 2 0 348.451 -0.473 20 0 EBADRP Cn1nncc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000996617627 726420080 /nfs/dbraw/zinc/42/00/80/726420080.db2.gz CBVXDEIIOFRJPO-HOCLYGCPSA-N 2 0 348.451 -0.241 20 0 EBADRP Cn1nnnc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000996621751 726420448 /nfs/dbraw/zinc/42/04/48/726420448.db2.gz SJMLOPMUWFLFPJ-UONOGXRCSA-N 2 0 349.439 -0.846 20 0 EBADRP C[NH+](C)C1(C(=O)N2CCC([NH2+][C@H]3CCC(=O)NC3=O)CC2)CCC1 ZINC000996665024 726421584 /nfs/dbraw/zinc/42/15/84/726421584.db2.gz NWWATIFHDIJPIL-ZDUSSCGKSA-N 2 0 336.436 -0.144 20 0 EBADRP NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000996673167 726421824 /nfs/dbraw/zinc/42/18/24/726421824.db2.gz SWLIRVUXLGQKED-HNNXBMFYSA-N 2 0 338.452 -0.304 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCC([NH2+][C@H]2CCC(=O)NC2=O)CC1)[NH+](C)C ZINC000996690979 726422654 /nfs/dbraw/zinc/42/26/54/726422654.db2.gz GMYDTNJPOJAKSM-ZFWWWQNUSA-N 2 0 338.452 -0.042 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC([NH2+]CCN3CCNC3=O)CC2)C1 ZINC000997009044 726434724 /nfs/dbraw/zinc/43/47/24/726434724.db2.gz XLBYFSWTXBTJFL-CQSZACIVSA-N 2 0 337.468 -0.066 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000997048987 726435725 /nfs/dbraw/zinc/43/57/25/726435725.db2.gz HSSHWHUGRXJGJK-HBSJQHRPSA-N 2 0 348.447 -0.729 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000997048988 726435880 /nfs/dbraw/zinc/43/58/80/726435880.db2.gz HSSHWHUGRXJGJK-PGMGQSNYSA-N 2 0 348.447 -0.729 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC([NH2+]CCN3CCNC3=O)CC2)C1 ZINC000997187952 726440448 /nfs/dbraw/zinc/44/04/48/726440448.db2.gz XVYGUEKTTPLHQQ-CQSZACIVSA-N 2 0 337.468 -0.066 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]C[C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000997304388 726445583 /nfs/dbraw/zinc/44/55/83/726445583.db2.gz UMRXFBZKPSZKQP-KGLIPLIRSA-N 2 0 343.493 -0.047 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC000998731987 726496250 /nfs/dbraw/zinc/49/62/50/726496250.db2.gz PWQSBBSYDFAZQB-ZIAGYGMSSA-N 2 0 336.436 -0.190 20 0 EBADRP CN(C(=O)c1ccn(CC[NH+](C)C)n1)C1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC000998786072 726497897 /nfs/dbraw/zinc/49/78/97/726497897.db2.gz PLWLINNAPMADAO-JXQTWKCFSA-N 2 0 348.451 -0.474 20 0 EBADRP C[C@@H]1CN(C)C[C@H](C(=O)N(C)C2CC([NH2+]Cc3cnnn3C)C2)O1 ZINC000998984347 726503390 /nfs/dbraw/zinc/50/33/90/726503390.db2.gz SLUMALJEDIMWLR-XZNOPERXSA-N 2 0 336.440 -0.387 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC000999189578 726510463 /nfs/dbraw/zinc/51/04/63/726510463.db2.gz LPJXSCGKLWZYEV-JHJVBQTASA-N 2 0 336.440 -0.471 20 0 EBADRP Cc1nc[nH]c1CC(=O)N(C)C1CC([NH2+]CC(=O)N2CCOCC2)C1 ZINC000999747710 726530733 /nfs/dbraw/zinc/53/07/33/726530733.db2.gz PFRLYJKDBOVJBP-UHFFFAOYSA-N 2 0 349.435 -0.302 20 0 EBADRP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000999834726 726534264 /nfs/dbraw/zinc/53/42/64/726534264.db2.gz VMBADFIMXJJBNF-UHFFFAOYSA-N 2 0 337.424 -0.787 20 0 EBADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2nnc3n2CCOC3)C1 ZINC000999838508 726534364 /nfs/dbraw/zinc/53/43/64/726534364.db2.gz XPNJOVGGYSNVNW-IYXRBSQSSA-N 2 0 348.451 -0.161 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCc1cn([C@@H]2CC[NH+](CCCO)C2)nn1 ZINC000999963504 726545038 /nfs/dbraw/zinc/54/50/38/726545038.db2.gz RGIKCBULQHPLJM-HUUCEWRRSA-N 2 0 336.440 -0.382 20 0 EBADRP O=C(NCc1cn([C@@H]2CC[N@@H+](CCO)C2)nn1)C12CC[NH+](CC1)C2 ZINC001000035947 726552108 /nfs/dbraw/zinc/55/21/08/726552108.db2.gz RKRJDMSRVYMEHQ-CQSZACIVSA-N 2 0 334.424 -0.771 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CCN3CCNC3=O)C2)CC1 ZINC001000081879 726554109 /nfs/dbraw/zinc/55/41/09/726554109.db2.gz OFGPCZGGOJAUQO-HNNXBMFYSA-N 2 0 337.468 -0.066 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001001224298 726597628 /nfs/dbraw/zinc/59/76/28/726597628.db2.gz XLAJPOWZPSVIGB-HZPDHXFCSA-N 2 0 334.464 -0.003 20 0 EBADRP NC(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001001645594 726614042 /nfs/dbraw/zinc/61/40/42/726614042.db2.gz JDZZBHZRYMLARK-XOYHFGRZSA-N 2 0 336.436 -0.837 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC001002119483 726633255 /nfs/dbraw/zinc/63/32/55/726633255.db2.gz AOVFEVBSNHXSEP-ZIAGYGMSSA-N 2 0 336.436 -0.429 20 0 EBADRP O=C(NC1CC[NH+](CCn2cncn2)CC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001002874247 726651666 /nfs/dbraw/zinc/65/16/66/726651666.db2.gz HJDZSCUKORYGPL-CVEARBPZSA-N 2 0 348.451 -0.278 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001003334561 726670093 /nfs/dbraw/zinc/67/00/93/726670093.db2.gz WSNTUACPSXBPJU-CQSZACIVSA-N 2 0 334.464 -0.001 20 0 EBADRP O=C(NC1CC[NH+](CCN2C(=O)CCC2=O)CC1)C12CC[NH+](CC1)C2 ZINC001003983510 726696724 /nfs/dbraw/zinc/69/67/24/726696724.db2.gz LQPOZDQMWZDYQX-UHFFFAOYSA-N 2 0 348.447 -0.188 20 0 EBADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001006457334 726769989 /nfs/dbraw/zinc/76/99/89/726769989.db2.gz OOIDWAILSBVGFC-KGLIPLIRSA-N 2 0 334.464 -0.003 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCO[C@@H](C[NH2+][C@H]3CCCNC3=O)C2)CC1 ZINC001051802640 735404891 /nfs/dbraw/zinc/40/48/91/735404891.db2.gz YMAKWHJXJNQVBV-GJZGRUSLSA-N 2 0 338.452 -0.576 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCCNC3=O)C2)CC1 ZINC001051802639 735404908 /nfs/dbraw/zinc/40/49/08/735404908.db2.gz YMAKWHJXJNQVBV-CABCVRRESA-N 2 0 338.452 -0.576 20 0 EBADRP CC(C)[C@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2cnnn2C)C1)[NH+](C)C ZINC001051806331 735407108 /nfs/dbraw/zinc/40/71/08/735407108.db2.gz GBVKARBRZGDSMF-LSDHHAIUSA-N 2 0 338.456 -0.282 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001011159044 727478149 /nfs/dbraw/zinc/47/81/49/727478149.db2.gz LUWRYOKJYHPZEL-HZPDHXFCSA-N 2 0 334.464 -0.049 20 0 EBADRP CC1CC[NH+](CC(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001051881687 735442599 /nfs/dbraw/zinc/44/25/99/735442599.db2.gz FXJYRTBOVJQUNS-GJZGRUSLSA-N 2 0 338.452 -0.576 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051902362 735454445 /nfs/dbraw/zinc/45/44/45/735454445.db2.gz DAHWYGCOACDAGB-TZMCWYRMSA-N 2 0 347.419 -0.533 20 0 EBADRP O=C(N1CCO[C@H](C[NH2+]Cc2cnns2)C1)C12CC[NH+](CC1)C2 ZINC001051904475 735455778 /nfs/dbraw/zinc/45/57/78/735455778.db2.gz NTBHXFCSPXHWSL-GFCCVEGCSA-N 2 0 337.449 -0.049 20 0 EBADRP Cn1cncc1C[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001051904546 735456528 /nfs/dbraw/zinc/45/65/28/735456528.db2.gz QAXOKTFNVQXMOS-HNNXBMFYSA-N 2 0 333.436 -0.167 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCO[C@H](C[NH2+]Cc2cnns2)C1 ZINC001051935902 735473409 /nfs/dbraw/zinc/47/34/09/735473409.db2.gz ZMNRNAMXEUAAPJ-GFCCVEGCSA-N 2 0 325.438 -0.049 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](N3CC[NH+](CCCO)CC3)C2)CC[N@@H+]1C ZINC001052031361 735512520 /nfs/dbraw/zinc/51/25/20/735512520.db2.gz LODCBHFSHXKFLP-BRWVUGGUSA-N 2 0 338.496 -0.073 20 0 EBADRP CC[C@H]([NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1)C(N)=O ZINC001018860895 728696049 /nfs/dbraw/zinc/69/60/49/728696049.db2.gz KVENLBGEMHRRCP-STQMWFEESA-N 2 0 336.440 -0.487 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+][C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)CCO1 ZINC001019774634 728988790 /nfs/dbraw/zinc/98/87/90/728988790.db2.gz BPSYJSLTAAUFSH-GJZGRUSLSA-N 2 0 338.452 -0.480 20 0 EBADRP O=C(N[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001020162697 729088871 /nfs/dbraw/zinc/08/88/71/729088871.db2.gz RUZUFJJXWQLCQR-KKUMJFAQSA-N 2 0 348.447 -0.286 20 0 EBADRP Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001020165023 729089236 /nfs/dbraw/zinc/08/92/36/729089236.db2.gz FWUGZKQBNVHYEN-JOCQHMNTSA-N 2 0 346.439 -0.376 20 0 EBADRP CCn1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)nn1 ZINC001020179026 729092487 /nfs/dbraw/zinc/09/24/87/729092487.db2.gz LDYCDTGQDLHMOQ-XOUADPBQSA-N 2 0 348.451 -0.102 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001020214011 729102664 /nfs/dbraw/zinc/10/26/64/729102664.db2.gz DNJYHZGHRORADF-JHJVBQTASA-N 2 0 336.440 -0.280 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001020214613 729102723 /nfs/dbraw/zinc/10/27/23/729102723.db2.gz YVHFOTPEVFZPNV-SYQHCUMBSA-N 2 0 336.436 -0.097 20 0 EBADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1)C(N)=O ZINC001020407287 729160574 /nfs/dbraw/zinc/16/05/74/729160574.db2.gz XJUSIPHQMPTLFO-WGQZWWLSSA-N 2 0 336.436 -0.650 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001020590155 729206117 /nfs/dbraw/zinc/20/61/17/729206117.db2.gz NKXHJTIPVSJWGQ-IHRRRGAJSA-N 2 0 336.436 -0.286 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001020591970 729206559 /nfs/dbraw/zinc/20/65/59/729206559.db2.gz XYGBTQOUXPUXBI-JHJVBQTASA-N 2 0 336.436 -0.240 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001020938711 729258758 /nfs/dbraw/zinc/25/87/58/729258758.db2.gz UEROSPDQBCPAJB-GVXVVHGQSA-N 2 0 345.403 -0.197 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001021095961 729282544 /nfs/dbraw/zinc/28/25/44/729282544.db2.gz DLQJBLCHHAJQPW-AVGNSLFASA-N 2 0 336.440 -0.280 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001022069684 729451729 /nfs/dbraw/zinc/45/17/29/729451729.db2.gz NNDJVWNTCFQDON-XQQFMLRXSA-N 2 0 336.440 -0.282 20 0 EBADRP Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccn(CC[NH+](C)C)n3)C2)nn1 ZINC001022096575 729454395 /nfs/dbraw/zinc/45/43/95/729454395.db2.gz GWGZLXQINOKDFG-BETUJISGSA-N 2 0 346.439 -0.376 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCC3)C2)n1 ZINC001022097445 729454632 /nfs/dbraw/zinc/45/46/32/729454632.db2.gz YCPAGGZJCQRRAB-OKILXGFUSA-N 2 0 348.451 -0.473 20 0 EBADRP Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022119365 729457326 /nfs/dbraw/zinc/45/73/26/729457326.db2.gz FBRUKEAYNYDCOO-XJFOESAGSA-N 2 0 334.424 -0.585 20 0 EBADRP CCn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022119417 729457370 /nfs/dbraw/zinc/45/73/70/729457370.db2.gz FRNILRSFFPONSL-BARDWOONSA-N 2 0 348.451 -0.102 20 0 EBADRP Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022121553 729458081 /nfs/dbraw/zinc/45/80/81/729458081.db2.gz FOHJGRPKOJFZOF-XJFOESAGSA-N 2 0 334.424 -0.585 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)nc1=O ZINC001022279378 729473749 /nfs/dbraw/zinc/47/37/49/729473749.db2.gz WVPMLCBPPPMKTH-RQJABVFESA-N 2 0 348.451 -0.138 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)nc1=O ZINC001022361630 729485006 /nfs/dbraw/zinc/48/50/06/729485006.db2.gz XKXTYWIQTQSYJU-TXEJJXNPSA-N 2 0 334.424 -0.526 20 0 EBADRP O=C(N[C@@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)C12CCC[NH+]1CCC2 ZINC001022363040 729485286 /nfs/dbraw/zinc/48/52/86/729485286.db2.gz HEEXAYPNUSIDMO-BETUJISGSA-N 2 0 349.435 -0.597 20 0 EBADRP O=C(N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001022455120 729495588 /nfs/dbraw/zinc/49/55/88/729495588.db2.gz HWVQCEKBBYJYIP-OWQJAQGESA-N 2 0 345.447 -0.017 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CC[N@@H+]1C ZINC001022596966 729516269 /nfs/dbraw/zinc/51/62/69/729516269.db2.gz XJSILVWUNGFNMD-YHQUGGNUSA-N 2 0 336.436 -0.241 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001022718872 729524789 /nfs/dbraw/zinc/52/47/89/729524789.db2.gz FPKMSDRSNQLGGB-BYNSBNAKSA-N 2 0 338.452 -0.720 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnc4n3CCOC4)C2)C1 ZINC001023084573 729598127 /nfs/dbraw/zinc/59/81/27/729598127.db2.gz TYBMXMVSLIRAHK-RWMBFGLXSA-N 2 0 334.424 -0.503 20 0 EBADRP CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1)[NH+](C)C ZINC001023794042 729800363 /nfs/dbraw/zinc/80/03/63/729800363.db2.gz WTGYFVYUCSPKOI-FMKPAKJESA-N 2 0 340.468 -0.644 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](C[NH2+]Cc3nnnn3C)C2)C1 ZINC001024155977 729852796 /nfs/dbraw/zinc/85/27/96/729852796.db2.gz GBRURZPBWDGRFS-UONOGXRCSA-N 2 0 335.456 -0.120 20 0 EBADRP O=C(N1CCC[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001024239575 729864837 /nfs/dbraw/zinc/86/48/37/729864837.db2.gz XURYSICTPACAQZ-KBPBESRZSA-N 2 0 348.447 -0.284 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nc1=O ZINC001024263331 729867744 /nfs/dbraw/zinc/86/77/44/729867744.db2.gz CPGGFNHMTFPOND-OLZOCXBDSA-N 2 0 336.440 -0.612 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)C1 ZINC001024780081 729928753 /nfs/dbraw/zinc/92/87/53/729928753.db2.gz YLBIKDVVWYEJGT-RBSFLKMASA-N 2 0 338.452 -0.888 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)[NH+](C)C ZINC001024787540 729929411 /nfs/dbraw/zinc/92/94/11/729929411.db2.gz QWVNWDBKBDQOHT-MGPQQGTHSA-N 2 0 338.452 -0.890 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)[NH+](C)C ZINC001025134883 730003963 /nfs/dbraw/zinc/00/39/63/730003963.db2.gz ITPOYXNTLGXQMD-APIJFGDWSA-N 2 0 340.468 -0.501 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001025708182 730076913 /nfs/dbraw/zinc/07/69/13/730076913.db2.gz MNSWGGHHLJRMMP-NJURLYQPSA-N 2 0 330.436 -0.094 20 0 EBADRP CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+]3CCC2CC3)C1=O ZINC001025787562 730088525 /nfs/dbraw/zinc/08/85/25/730088525.db2.gz UAMZEIYMOPYYOO-FIDHJVLJSA-N 2 0 346.475 -0.005 20 0 EBADRP CO[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908733 730104764 /nfs/dbraw/zinc/10/47/64/730104764.db2.gz WFASTDMUTWAGLB-KCZDAYQYSA-N 2 0 335.448 -0.069 20 0 EBADRP CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908688 730104794 /nfs/dbraw/zinc/10/47/94/730104794.db2.gz UXJBHTLTEVQYLR-CIEBUJSESA-N 2 0 348.447 -0.970 20 0 EBADRP CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CC[C@@H](C)C2)C1=O ZINC001026043496 730117589 /nfs/dbraw/zinc/11/75/89/730117589.db2.gz DCRQXLRVCDCTDC-KDEOKCCVSA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001026045545 730117984 /nfs/dbraw/zinc/11/79/84/730117984.db2.gz GMHQWUKEMPGQED-RKWLLSJHSA-N 2 0 348.447 -0.621 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001026140476 730124481 /nfs/dbraw/zinc/12/44/81/730124481.db2.gz SYHSAVKFGIEYFS-JLOCXQCDSA-N 2 0 347.463 -0.368 20 0 EBADRP NC(=O)C[NH2+]C1CCC(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001026530914 730148725 /nfs/dbraw/zinc/14/87/25/730148725.db2.gz JCSJLPWWNJJEBM-ZZTKBFGJSA-N 2 0 336.436 -0.648 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nc1=O ZINC001026886602 730167346 /nfs/dbraw/zinc/16/73/46/730167346.db2.gz BJEQGRTZQYRHTG-RISCZKNCSA-N 2 0 336.440 -0.613 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001026938259 730173117 /nfs/dbraw/zinc/17/31/17/730173117.db2.gz BCNJICBMPDPHAS-CYBMUJFWSA-N 2 0 333.440 -0.223 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001027062857 730186072 /nfs/dbraw/zinc/18/60/72/730186072.db2.gz CTCSGMPXFKDRCA-CHWSQXEVSA-N 2 0 336.440 -0.469 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](C[NH2+]Cc2cnon2)C1 ZINC001027220049 730200319 /nfs/dbraw/zinc/20/03/19/730200319.db2.gz NMNFERBBNTUYGG-UONOGXRCSA-N 2 0 337.424 -0.024 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCN2C(=O)CCC2=O)C1 ZINC001028445876 730293549 /nfs/dbraw/zinc/29/35/49/730293549.db2.gz WMKRWZUVKAQPQB-KBPBESRZSA-N 2 0 336.436 -0.332 20 0 EBADRP CCn1nncc1CN1CC[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001028466257 730296952 /nfs/dbraw/zinc/29/69/52/730296952.db2.gz PCJOEAKLBJBLCQ-ZFWWWQNUSA-N 2 0 336.440 -0.433 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001028547147 730312058 /nfs/dbraw/zinc/31/20/58/730312058.db2.gz MMZQTPPSVSRGPT-UKRRQHHQSA-N 2 0 348.451 -0.615 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CCN3CCNC3=O)C2)CC1 ZINC001028778893 730356098 /nfs/dbraw/zinc/35/60/98/730356098.db2.gz NZQQFPJRUBIMGJ-AWEZNQCLSA-N 2 0 337.468 -0.209 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3[C@@H]2CCC(=O)NC2=O)C1 ZINC001029583083 730411885 /nfs/dbraw/zinc/41/18/85/730411885.db2.gz MNZWZTFVAKKICR-YIYPIFLZSA-N 2 0 334.420 -0.582 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C[C@@H](O)Cn2cccn2)C1 ZINC001029584573 730411897 /nfs/dbraw/zinc/41/18/97/730411897.db2.gz YNBZBJCMSYNNMN-NXOAAHMSSA-N 2 0 347.463 -0.129 20 0 EBADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC001033594935 731045331 /nfs/dbraw/zinc/04/53/31/731045331.db2.gz SVJCIOKRYYAZMK-CVEARBPZSA-N 2 0 347.463 -0.128 20 0 EBADRP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001033666559 731058508 /nfs/dbraw/zinc/05/85/08/731058508.db2.gz YLNQVFPEXAVDMC-CYBMUJFWSA-N 2 0 337.424 -0.833 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+][C@H]3CCC(=O)NC3=O)CC2)C1 ZINC001034792044 731157392 /nfs/dbraw/zinc/15/73/92/731157392.db2.gz CSKHIJAFARPYEH-XUXIUFHCSA-N 2 0 336.436 -0.240 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001040116823 731606582 /nfs/dbraw/zinc/60/65/82/731606582.db2.gz DPWMIGFGGADATN-WBVHZDCISA-N 2 0 340.468 -0.642 20 0 EBADRP CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1)[NH+](C)C ZINC001040203395 731642563 /nfs/dbraw/zinc/64/25/63/731642563.db2.gz XYMLSFNROHEUJP-RHSMWYFYSA-N 2 0 340.468 -0.498 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@]1(O)CCN(C(=O)C[NH+](CC)CC)C1 ZINC001040445342 731735693 /nfs/dbraw/zinc/73/56/93/731735693.db2.gz ANSHQEWOXOXLBQ-QGZVFWFLSA-N 2 0 342.484 -0.250 20 0 EBADRP CCC[NH+](C)CC(=O)N1CC[C@@](O)(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001040447440 731737690 /nfs/dbraw/zinc/73/76/90/731737690.db2.gz RHCKCXPEHUJVLV-QGZVFWFLSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001040718968 731845969 /nfs/dbraw/zinc/84/59/69/731845969.db2.gz PUNOFDPVPSLETF-PBHICJAKSA-N 2 0 340.468 -0.498 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041286380 732066170 /nfs/dbraw/zinc/06/61/70/732066170.db2.gz LCGNMTGYEVSRTD-YJBOKZPZSA-N 2 0 334.464 -0.001 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042097104 732305092 /nfs/dbraw/zinc/30/50/92/732305092.db2.gz DRTGUPNJLVIKHC-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC001042096794 732305379 /nfs/dbraw/zinc/30/53/79/732305379.db2.gz BNYFADLNZMTBNX-ZIAGYGMSSA-N 2 0 340.468 -0.644 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001042103445 732313251 /nfs/dbraw/zinc/31/32/51/732313251.db2.gz FGTKSCPPLMSQMR-ZDUSSCGKSA-N 2 0 326.441 -0.890 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001042104938 732317040 /nfs/dbraw/zinc/31/70/40/732317040.db2.gz UWMCYOKTCCSBLE-KGLIPLIRSA-N 2 0 338.452 -0.746 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001061595415 738635089 /nfs/dbraw/zinc/63/50/89/738635089.db2.gz JCLZVUUHTXXUMN-KBPBESRZSA-N 2 0 326.441 -0.767 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001043158173 732794592 /nfs/dbraw/zinc/79/45/92/732794592.db2.gz RZFAEEOBERIYKV-UHFFFAOYSA-N 2 0 340.468 -0.641 20 0 EBADRP CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)C[N@H+](C)C(C)C)C1)[NH+](C)C ZINC001043429480 732934719 /nfs/dbraw/zinc/93/47/19/732934719.db2.gz CRDGJDMSUHPHMZ-HNNXBMFYSA-N 2 0 342.484 -0.398 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001043432394 732936802 /nfs/dbraw/zinc/93/68/02/732936802.db2.gz YUCRTNSTEQZSCI-OAHLLOKOSA-N 2 0 340.468 -0.644 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001043532617 732995680 /nfs/dbraw/zinc/99/56/80/732995680.db2.gz BMQQARGQZRHHOS-UHFFFAOYSA-N 2 0 340.468 -0.500 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001043537347 732999013 /nfs/dbraw/zinc/99/90/13/732999013.db2.gz UUNLQSHTKKRSRA-UHFFFAOYSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1)[NH+](C)C ZINC001043677326 733054973 /nfs/dbraw/zinc/05/49/73/733054973.db2.gz GQPRRNGJVMSNNO-KGLIPLIRSA-N 2 0 340.468 -0.644 20 0 EBADRP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001043770436 733104354 /nfs/dbraw/zinc/10/43/54/733104354.db2.gz MPACMXILXXFMHF-ZDUSSCGKSA-N 2 0 326.441 -0.888 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001043771405 733106030 /nfs/dbraw/zinc/10/60/30/733106030.db2.gz VJYMOKGWDODFOH-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001043774181 733107679 /nfs/dbraw/zinc/10/76/79/733107679.db2.gz UNXBFQADHKBQFL-CQSZACIVSA-N 2 0 340.468 -0.500 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001044010678 733243543 /nfs/dbraw/zinc/24/35/43/733243543.db2.gz AMIWOYVTVIMTPC-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001044291022 733360664 /nfs/dbraw/zinc/36/06/64/733360664.db2.gz LGMYETFFOODCPV-AWEZNQCLSA-N 2 0 342.484 -0.252 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001044302063 733368636 /nfs/dbraw/zinc/36/86/36/733368636.db2.gz FWUDJSXGKOMZFO-UHFFFAOYSA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@@H]1C[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001044822665 733520254 /nfs/dbraw/zinc/52/02/54/733520254.db2.gz MEKHLVRBXBUITP-OLZOCXBDSA-N 2 0 333.440 -0.225 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001061722902 738722796 /nfs/dbraw/zinc/72/27/96/738722796.db2.gz NTBAEACUJAPQBE-AWEZNQCLSA-N 2 0 338.452 -0.623 20 0 EBADRP CC[C@@H](C(=O)NC[C@H]1COCCN1C(=O)C[NH+]1CCCC1)[NH+](C)C ZINC001061723703 738724319 /nfs/dbraw/zinc/72/43/19/738724319.db2.gz CJNORNZPYKBFNM-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001045182057 733615084 /nfs/dbraw/zinc/61/50/84/733615084.db2.gz KIRGMLHIOFHLGL-UONOGXRCSA-N 2 0 336.436 -0.286 20 0 EBADRP CNC(=O)[C@@H](C)[NH+]1CCC(C)(NC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001045397796 733686782 /nfs/dbraw/zinc/68/67/82/733686782.db2.gz ORCORZJMDACWEU-OLZOCXBDSA-N 2 0 326.441 -0.578 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001045418358 733691865 /nfs/dbraw/zinc/69/18/65/733691865.db2.gz UEJLSOPMVJGAEW-ZIAGYGMSSA-N 2 0 340.468 -0.642 20 0 EBADRP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001045714032 733758006 /nfs/dbraw/zinc/75/80/06/733758006.db2.gz WQPABPLMGVZJOR-UHFFFAOYSA-N 2 0 345.403 -0.411 20 0 EBADRP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001046082639 733855480 /nfs/dbraw/zinc/85/54/80/733855480.db2.gz UWPWDZOTTKDIOE-LSDHHAIUSA-N 2 0 337.468 -0.826 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001046531620 733956499 /nfs/dbraw/zinc/95/64/99/733956499.db2.gz RCCHJTZCYMDMGW-OAHLLOKOSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001046684716 734003304 /nfs/dbraw/zinc/00/33/04/734003304.db2.gz LPBHKLCWRSMKKN-KBPBESRZSA-N 2 0 340.468 -0.785 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001046685893 734004813 /nfs/dbraw/zinc/00/48/13/734004813.db2.gz XEISYXUULSDZOP-AWEZNQCLSA-N 2 0 338.452 -0.887 20 0 EBADRP C[C@@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001047424236 734188301 /nfs/dbraw/zinc/18/83/01/734188301.db2.gz DFCSPFAIWNZKTG-ILXRZTDVSA-N 2 0 325.453 -0.253 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)CC[NH+](C)C)CC[N@@H+]1C ZINC001061861352 738790365 /nfs/dbraw/zinc/79/03/65/738790365.db2.gz GYXUNNVKZHLRFJ-QLFBSQMISA-N 2 0 340.468 -0.378 20 0 EBADRP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CCn2cncn2)C[C@@H]1O ZINC001047598005 734275662 /nfs/dbraw/zinc/27/56/62/734275662.db2.gz QEUIWKOSKGPJFD-ILXRZTDVSA-N 2 0 336.440 -0.877 20 0 EBADRP C[C@H]([NH2+]Cc1nnnn1C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001047960516 734326034 /nfs/dbraw/zinc/32/60/34/734326034.db2.gz TVIGFJRVJBBFPL-JSGCOSHPSA-N 2 0 335.456 -0.122 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001061898495 738803481 /nfs/dbraw/zinc/80/34/81/738803481.db2.gz JMRHOPIIPJGQLS-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001048061288 734341542 /nfs/dbraw/zinc/34/15/42/734341542.db2.gz AMHQJSQIEKQZKX-QWHCGFSZSA-N 2 0 336.440 -0.469 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001048723297 734483456 /nfs/dbraw/zinc/48/34/56/734483456.db2.gz AQBROSIDAHPWRR-XJFOESAGSA-N 2 0 334.420 -0.724 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+]([C@@H]4CCN(C)C4=O)C[C@@H]3C2)CC[N@@H+]1C ZINC001048829816 734528429 /nfs/dbraw/zinc/52/84/29/734528429.db2.gz YXZXYGONFFAPOK-IBEHDNSVSA-N 2 0 334.464 -0.053 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC3CC3)C[C@@H]2C1)C1CC1 ZINC001048863914 734543502 /nfs/dbraw/zinc/54/35/02/734543502.db2.gz PUEZRAQILWJBHY-JKIFEVAISA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944222 734578958 /nfs/dbraw/zinc/57/89/58/734578958.db2.gz RTJDCLHNBQFBMZ-BUYXHREJSA-N 2 0 335.448 -0.379 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+]([C@@H]4CCC(=O)NC4=O)C[C@@H]3C2)C1 ZINC001049058807 734630054 /nfs/dbraw/zinc/63/00/54/734630054.db2.gz IMMYIQIOGICOQR-BYNSBNAKSA-N 2 0 348.447 -0.476 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnnn3C)C[C@@H]2C1 ZINC001049059722 734630826 /nfs/dbraw/zinc/63/08/26/734630826.db2.gz DYIVLOOOOLAKEH-HGTKMLMNSA-N 2 0 332.452 -0.097 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnnn3C)C[C@@H]2C1 ZINC001049059723 734630841 /nfs/dbraw/zinc/63/08/41/734630841.db2.gz DYIVLOOOOLAKEH-NYTXWWLZSA-N 2 0 332.452 -0.097 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@@H]2C1 ZINC001049060040 734631636 /nfs/dbraw/zinc/63/16/36/734631636.db2.gz MBKXCGALCXFZNK-WCVJEAGWSA-N 2 0 334.464 -0.193 20 0 EBADRP C[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001049134598 734658180 /nfs/dbraw/zinc/65/81/80/734658180.db2.gz ACCTTXOWQJUXHZ-SOUVJXGZSA-N 2 0 325.453 -0.132 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001049150008 734663115 /nfs/dbraw/zinc/66/31/15/734663115.db2.gz NZCLQZCNVCPCEX-GJZGRUSLSA-N 2 0 342.484 -0.300 20 0 EBADRP O=C(N1CC[C@@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001050234392 734876143 /nfs/dbraw/zinc/87/61/43/734876143.db2.gz GSQOXLDQERZPCU-KGLIPLIRSA-N 2 0 348.447 -0.284 20 0 EBADRP Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC001051616539 735268291 /nfs/dbraw/zinc/26/82/91/735268291.db2.gz JMRSHTIFOCPFRI-JKSUJKDBSA-N 2 0 348.451 -0.526 20 0 EBADRP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001052572956 735645306 /nfs/dbraw/zinc/64/53/06/735645306.db2.gz RNAYQVYVXRBNIL-DLOXAQCQSA-N 2 0 336.436 -0.694 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)CC2)cn1 ZINC001052784502 735690649 /nfs/dbraw/zinc/69/06/49/735690649.db2.gz SEWYXMHKVXIPJM-CQSZACIVSA-N 2 0 336.440 -0.486 20 0 EBADRP C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054854086 736256161 /nfs/dbraw/zinc/25/61/61/736256161.db2.gz OGTMCHRTPKOXKE-QWHCGFSZSA-N 2 0 348.451 -0.327 20 0 EBADRP CC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001055482906 736352376 /nfs/dbraw/zinc/35/23/76/736352376.db2.gz DGCLGCYUGLSWDQ-CVEARBPZSA-N 2 0 338.452 -0.434 20 0 EBADRP COCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055496317 736357843 /nfs/dbraw/zinc/35/78/43/736357843.db2.gz GHBNWCMEIGIZIE-CYBMUJFWSA-N 2 0 326.441 -0.719 20 0 EBADRP CO[C@@H](C)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001055534015 736372394 /nfs/dbraw/zinc/37/23/94/736372394.db2.gz BCWTVLLEBOUCCS-KBPBESRZSA-N 2 0 340.468 -0.330 20 0 EBADRP CO[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001055578837 736392265 /nfs/dbraw/zinc/39/22/65/736392265.db2.gz WSZFQZKRGNKAGK-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)c3ccn[nH]3)CC2)C1 ZINC001055578678 736392361 /nfs/dbraw/zinc/39/23/61/736392361.db2.gz UEJWOKZLGOPIAR-CYBMUJFWSA-N 2 0 348.451 -0.328 20 0 EBADRP CC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001055585617 736393412 /nfs/dbraw/zinc/39/34/12/736393412.db2.gz CYXOGULIVSJMGY-CVEARBPZSA-N 2 0 338.452 -0.434 20 0 EBADRP COCC(=O)NC1CC[NH+](CCNC(=O)CCC[NH+](C)C)CC1 ZINC001055626481 736411787 /nfs/dbraw/zinc/41/17/87/736411787.db2.gz VXJQVRCBJKQFAK-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001055633203 736417610 /nfs/dbraw/zinc/41/76/10/736417610.db2.gz FKODKDPUASHCRN-UHFFFAOYSA-N 3 0 341.500 -0.413 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001055838976 736512596 /nfs/dbraw/zinc/51/25/96/736512596.db2.gz XTATXUUQNAFTPJ-PBHICJAKSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001055955961 736570226 /nfs/dbraw/zinc/57/02/26/736570226.db2.gz ISSQUXHAVMXHNP-KRWDZBQOSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001056104852 736643255 /nfs/dbraw/zinc/64/32/55/736643255.db2.gz HZGRWZYCEXVYEA-KRWDZBQOSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001056106505 736644117 /nfs/dbraw/zinc/64/41/17/736644117.db2.gz UUHVVPRJTJPKQU-KRWDZBQOSA-N 2 0 342.484 -0.250 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001057210403 737081991 /nfs/dbraw/zinc/08/19/91/737081991.db2.gz IDTHBYKSGTUWIK-CABCVRRESA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCCCC(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001057631986 737369647 /nfs/dbraw/zinc/36/96/47/737369647.db2.gz FUKIUNHGUKIGRI-HNNXBMFYSA-N 2 0 342.484 -0.393 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001057635683 737375239 /nfs/dbraw/zinc/37/52/39/737375239.db2.gz GZVZMXBWVNMEFA-CQSZACIVSA-N 2 0 328.457 -0.785 20 0 EBADRP C[N@H+](CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[NH+](C)C1)C1CCC1 ZINC001057636434 737376137 /nfs/dbraw/zinc/37/61/37/737376137.db2.gz RLERVLYFWDCHRJ-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCCN(CCO)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001057636715 737376723 /nfs/dbraw/zinc/37/67/23/737376723.db2.gz XJUXUAABGJDDPM-LSDHHAIUSA-N 2 0 340.468 -0.783 20 0 EBADRP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001057659290 737396447 /nfs/dbraw/zinc/39/64/47/737396447.db2.gz OIHXMTSMHIFOJH-CQSZACIVSA-N 2 0 328.457 -0.641 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001057738602 737427529 /nfs/dbraw/zinc/42/75/29/737427529.db2.gz DAEYZVPRVVGBSM-HUUCEWRRSA-N 2 0 342.484 -0.396 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(CCO)CCNC(=O)C[NH+]1CCC[C@H]1C ZINC001057864128 737484825 /nfs/dbraw/zinc/48/48/25/737484825.db2.gz COAMIKDTKCBGAV-OAHLLOKOSA-N 2 0 342.484 -0.252 20 0 EBADRP C[NH+](C)C1(C(=O)N(CCO)CCNC(=O)C[NH+]2CCCC2)CCC1 ZINC001057874822 737493871 /nfs/dbraw/zinc/49/38/71/737493871.db2.gz CCCOSTGUNYTLMM-UHFFFAOYSA-N 2 0 340.468 -0.496 20 0 EBADRP CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)CC[NH+](C)C)[NH+](C)C ZINC001057882288 737502184 /nfs/dbraw/zinc/50/21/84/737502184.db2.gz JPLXRZUQXNZQOT-HNNXBMFYSA-N 2 0 330.473 -0.539 20 0 EBADRP CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)C[N@H+](C)C(C)C)[NH+](C)C ZINC001057883453 737503834 /nfs/dbraw/zinc/50/38/34/737503834.db2.gz KUQFSQDCRJQAQJ-INIZCTEOSA-N 2 0 344.500 -0.150 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N(CCO)CCNC(=O)C[NH+](C)C(C)C ZINC001057942770 737546589 /nfs/dbraw/zinc/54/65/89/737546589.db2.gz UGBMAXVJMORGTP-UHFFFAOYSA-N 2 0 344.500 -0.006 20 0 EBADRP CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC001057975184 737572081 /nfs/dbraw/zinc/57/20/81/737572081.db2.gz JOYOVMVTUIQBSS-RBSFLKMASA-N 2 0 342.484 -0.396 20 0 EBADRP CC[C@H](C(=O)NCCN(CCO)C(=O)[C@@H](CC)[NH+](C)C)[NH+](C)C ZINC001057975278 737572668 /nfs/dbraw/zinc/57/26/68/737572668.db2.gz MDKSFFLZSYUHKG-ZIAGYGMSSA-N 2 0 330.473 -0.396 20 0 EBADRP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)C1CC[NH+](C)CC1 ZINC001057994475 737583087 /nfs/dbraw/zinc/58/30/87/737583087.db2.gz ZDZXMGDJYRZXFL-UHFFFAOYSA-N 2 0 342.484 -0.393 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001058039109 737602173 /nfs/dbraw/zinc/60/21/73/737602173.db2.gz QHJQJOKGHXNDBP-HUUCEWRRSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@@H](C(=O)N(CCO)CCNC(=O)C[N@@H+]1CCC[C@H]1C)[NH+](C)C ZINC001058168751 737690805 /nfs/dbraw/zinc/69/08/05/737690805.db2.gz TUXLWASJKMIOBM-CABCVRRESA-N 2 0 342.484 -0.252 20 0 EBADRP CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC001058169580 737691233 /nfs/dbraw/zinc/69/12/33/737691233.db2.gz AOJMSHKLVNRAAG-LSDHHAIUSA-N 2 0 342.484 -0.252 20 0 EBADRP C[NH+](C)CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001058236632 737726559 /nfs/dbraw/zinc/72/65/59/737726559.db2.gz ASHPJUAOQPWPQR-HNNXBMFYSA-N 2 0 342.484 -0.393 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001058255644 737738009 /nfs/dbraw/zinc/73/80/09/737738009.db2.gz XRAMXCYBGNSSAU-AWEZNQCLSA-N 2 0 328.457 -0.641 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)C[NH+](C)C1CCC1 ZINC001058255442 737738330 /nfs/dbraw/zinc/73/83/30/737738330.db2.gz PWPWSMQTOJEDQV-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058607642 737920180 /nfs/dbraw/zinc/92/01/80/737920180.db2.gz JHWLEIUJQUCRFA-CABCVRRESA-N 2 0 342.484 -0.537 20 0 EBADRP C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)C1CC[NH+](C)CC1 ZINC001058607840 737920621 /nfs/dbraw/zinc/92/06/21/737920621.db2.gz PZUMVOBYETUXCR-UHFFFAOYSA-N 2 0 342.484 -0.393 20 0 EBADRP CC[C@H](C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C)[NH+](C)C ZINC001058610289 737920888 /nfs/dbraw/zinc/92/08/88/737920888.db2.gz FWPKHZHYFOZTCF-CQSZACIVSA-N 2 0 330.473 -0.395 20 0 EBADRP CC[C@@H](C(=O)N(CCO)CCNC(=O)CC[NH+](C)C)[NH+](CC)CC ZINC001058787317 737995067 /nfs/dbraw/zinc/99/50/67/737995067.db2.gz FJUWWHHTWAVAPF-HNNXBMFYSA-N 2 0 344.500 -0.004 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC001058849455 738031653 /nfs/dbraw/zinc/03/16/53/738031653.db2.gz UUVSUTJAHBGVLJ-CABCVRRESA-N 2 0 342.484 -0.537 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)CCO1 ZINC001064977194 739455051 /nfs/dbraw/zinc/45/50/51/739455051.db2.gz CKCZCVQXFVBIQA-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001065170280 739575555 /nfs/dbraw/zinc/57/55/55/739575555.db2.gz YIWFRVXZUXKTTN-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001065170282 739575634 /nfs/dbraw/zinc/57/56/34/739575634.db2.gz YIWFRVXZUXKTTN-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065171755 739577023 /nfs/dbraw/zinc/57/70/23/739577023.db2.gz LDVBABZVEJWJRH-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065171754 739577222 /nfs/dbraw/zinc/57/72/22/739577222.db2.gz LDVBABZVEJWJRH-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001065177498 739581433 /nfs/dbraw/zinc/58/14/33/739581433.db2.gz GPJSYFXDYFLZET-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001065178091 739582088 /nfs/dbraw/zinc/58/20/88/739582088.db2.gz NFAAXQCNVPYNRM-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001065373466 739679800 /nfs/dbraw/zinc/67/98/00/739679800.db2.gz FELXYSCFDRFJAV-AWEZNQCLSA-N 2 0 338.452 -0.623 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065572552 739768947 /nfs/dbraw/zinc/76/89/47/739768947.db2.gz SNWPXPUUXLJZFW-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001065574233 739770680 /nfs/dbraw/zinc/77/06/80/739770680.db2.gz DDQITPQXFITLJZ-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001065576989 739773255 /nfs/dbraw/zinc/77/32/55/739773255.db2.gz ZEENJIUDFINSIE-HOCLYGCPSA-N 2 0 340.468 -0.378 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC2(C1)CN(C(=O)CC[NH+](C)C)CCO2 ZINC001068455663 740331322 /nfs/dbraw/zinc/33/13/22/740331322.db2.gz ASRALUFZCFWSMC-UHFFFAOYSA-N 2 0 340.468 -0.280 20 0 EBADRP C[NH+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)CO2 ZINC001068874636 740477970 /nfs/dbraw/zinc/47/79/70/740477970.db2.gz UPBFHOINWQTOIQ-KBPBESRZSA-N 2 0 338.452 -0.624 20 0 EBADRP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)Cn2cncc2C)[C@@H](n2ccnn2)C1 ZINC001069980193 740644821 /nfs/dbraw/zinc/64/48/21/740644821.db2.gz HREZHEQVJCXNTG-KFWWJZLASA-N 2 0 347.423 -0.140 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001070505914 740851858 /nfs/dbraw/zinc/85/18/58/740851858.db2.gz OPNDJOHSVMTMOW-IACUBPJLSA-N 2 0 336.440 -0.870 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001072150972 741322382 /nfs/dbraw/zinc/32/23/82/741322382.db2.gz WJWSLIFBVNDKKU-LSDHHAIUSA-N 2 0 342.484 -0.131 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001072286551 741360264 /nfs/dbraw/zinc/36/02/64/741360264.db2.gz LQNHZZOCNVSSIX-HUUCEWRRSA-N 2 0 342.484 -0.132 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001072433213 741398692 /nfs/dbraw/zinc/39/86/92/741398692.db2.gz SSJNKRHNUWTYCN-HUUCEWRRSA-N 2 0 342.484 -0.131 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1C ZINC001072433586 741399187 /nfs/dbraw/zinc/39/91/87/741399187.db2.gz YGSJISOJTDRRAY-LSDHHAIUSA-N 2 0 342.484 -0.131 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCN1C(=O)CNC1=O)C2 ZINC001072554808 741428523 /nfs/dbraw/zinc/42/85/23/741428523.db2.gz YUWVASMEQUDJRW-CYBMUJFWSA-N 2 0 349.435 -0.833 20 0 EBADRP O=C(N1CC2(C1)CC[N@@H+]([C@H]1CCCNC1=O)C2)C12CC[NH+](CC1)C2 ZINC001073129894 741566810 /nfs/dbraw/zinc/56/68/10/741566810.db2.gz GKKHTULTVNLJNG-AWEZNQCLSA-N 2 0 332.448 -0.105 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@@H]2CCC(=O)NC2=O)C3)C1 ZINC001073425986 741611847 /nfs/dbraw/zinc/61/18/47/741611847.db2.gz NLQHJDZJEJQFKA-CHWSQXEVSA-N 2 0 334.420 -0.722 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC2(C1)CC[N@H+](CCN1C(=O)CCC1=O)C2 ZINC001073431064 741613332 /nfs/dbraw/zinc/61/33/32/741613332.db2.gz QJKZGOQZKBRANF-UHFFFAOYSA-N 2 0 348.447 -0.235 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CCO)CCCO2)C1 ZINC001073740103 741728696 /nfs/dbraw/zinc/72/86/96/741728696.db2.gz BPHNWKXPFIDURQ-HUUCEWRRSA-N 2 0 329.441 -0.705 20 0 EBADRP C[C@H]1[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001074852972 742121619 /nfs/dbraw/zinc/12/16/19/742121619.db2.gz JSTPAZWADBHJSS-FPMFFAJLSA-N 2 0 336.436 -0.288 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[C@H](C)NC(=O)CC[NH+](C)C ZINC001076601494 742509222 /nfs/dbraw/zinc/50/92/22/742509222.db2.gz STHBGRZJDYDXOF-CABCVRRESA-N 2 0 342.484 -0.083 20 0 EBADRP Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077002919 742690193 /nfs/dbraw/zinc/69/01/93/742690193.db2.gz MDHMAFNHTJNQGC-GVDBMIGSSA-N 2 0 347.463 -0.534 20 0 EBADRP CC[C@@H](C(=O)N[C@@H](C)CCNC(=O)COCC[NH+](C)C)[NH+](C)C ZINC001077494350 743016995 /nfs/dbraw/zinc/01/69/95/743016995.db2.gz KTSYGQIUXNRTHX-KBPBESRZSA-N 2 0 330.473 -0.084 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001077618909 743121643 /nfs/dbraw/zinc/12/16/43/743121643.db2.gz VFTHQASJOYMGNI-FVQBIDKESA-N 2 0 325.453 -0.084 20 0 EBADRP O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001077978536 743389728 /nfs/dbraw/zinc/38/97/28/743389728.db2.gz HIQAXTNHTLNWRY-HZPDHXFCSA-N 2 0 325.453 -0.348 20 0 EBADRP Cn1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)cc1=O ZINC001078005592 743409173 /nfs/dbraw/zinc/40/91/73/743409173.db2.gz GDAYQQCERSSKMH-NUEKZKHPSA-N 2 0 348.447 -0.612 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@H]2O)C1 ZINC001078175965 743517644 /nfs/dbraw/zinc/51/76/44/743517644.db2.gz USLPHWBAKGWWQF-RRFJBIMHSA-N 2 0 338.452 -0.888 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C23CCC3)n1 ZINC001078629763 743712708 /nfs/dbraw/zinc/71/27/08/743712708.db2.gz OTGDHMPMNSOQCU-KBPBESRZSA-N 2 0 348.451 -0.439 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000980839813 806028645 /nfs/dbraw/zinc/02/86/45/806028645.db2.gz NIGKNTDYBRZZET-CVEARBPZSA-N 2 0 335.452 -0.128 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000980839824 806028848 /nfs/dbraw/zinc/02/88/48/806028848.db2.gz NIGKNTDYBRZZET-JKSUJKDBSA-N 2 0 335.452 -0.128 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000980839822 806029400 /nfs/dbraw/zinc/02/94/00/806029400.db2.gz NIGKNTDYBRZZET-HZPDHXFCSA-N 2 0 335.452 -0.128 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)nc1=O ZINC000981461750 806175688 /nfs/dbraw/zinc/17/56/88/806175688.db2.gz KTUDKHZJXSSOQU-STQMWFEESA-N 2 0 348.451 -0.279 20 0 EBADRP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1CC2(C1)CCC[N@@H+](CCO)C2 ZINC000981901668 806320963 /nfs/dbraw/zinc/32/09/63/806320963.db2.gz RBHOTOJCZWEMHS-SWKXRBFHSA-N 2 0 335.448 -0.234 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC[NH+](CCN2CCNC2=O)CC1 ZINC000981958100 806347922 /nfs/dbraw/zinc/34/79/22/806347922.db2.gz AVNXCQCMKNOZQK-CABCVRRESA-N 2 0 337.468 -0.256 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)N1CC[NH2+]CC1 ZINC000316086409 803765573 /nfs/dbraw/zinc/76/55/73/803765573.db2.gz LINRJLCOTODUTO-UHFFFAOYSA-N 3 0 335.518 -0.658 20 0 EBADRP O=S(=O)(NCCN1CC[NH+](Cc2ccccc2)CC1)C1C[NH2+]C1 ZINC000405180398 803777740 /nfs/dbraw/zinc/77/77/40/803777740.db2.gz VPBXXEAYOMPAJC-UHFFFAOYSA-N 2 0 338.477 -0.305 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000976795071 803845756 /nfs/dbraw/zinc/84/57/56/803845756.db2.gz WVDQQWFZCMLYIR-LJIZCISZSA-N 2 0 334.464 -0.005 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC000976871205 803925272 /nfs/dbraw/zinc/92/52/72/803925272.db2.gz SXCWSVSJYLEVIO-JJXSEGSLSA-N 2 0 346.475 -0.005 20 0 EBADRP CC1(C)C[N@H+](CCN2CCNC2=O)C[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000977480804 804347729 /nfs/dbraw/zinc/34/77/29/804347729.db2.gz WVLSPTBQDYZFAS-AWEZNQCLSA-N 2 0 349.479 -0.066 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)CC2(C)C)C1 ZINC000977599407 804406886 /nfs/dbraw/zinc/40/68/86/804406886.db2.gz LZPKCNJCJIZZLS-ZIAGYGMSSA-N 2 0 337.468 -0.210 20 0 EBADRP CN1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCn4cccn4)C[C@H]32)C1 ZINC000977952597 804583882 /nfs/dbraw/zinc/58/38/82/804583882.db2.gz IUEZGJPTTANPQY-JONQDZQNSA-N 2 0 333.436 -0.492 20 0 EBADRP CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC000978172010 804704129 /nfs/dbraw/zinc/70/41/29/804704129.db2.gz BNDKUXZBZVCZLI-ZSOGYDGISA-N 2 0 348.451 -0.902 20 0 EBADRP C[C@@H]([NH2+]Cc1cnnn1C)[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC000979423399 805367640 /nfs/dbraw/zinc/36/76/40/805367640.db2.gz CHYAYAGWXAGYOQ-HIFRSBDPSA-N 2 0 336.440 -0.384 20 0 EBADRP Cn1cnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000983714885 807086592 /nfs/dbraw/zinc/08/65/92/807086592.db2.gz BUNUPYGNLMCFHU-AJNGGQMLSA-N 2 0 348.451 -0.337 20 0 EBADRP Cn1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)nn1 ZINC000983717145 807088457 /nfs/dbraw/zinc/08/84/57/807088457.db2.gz XHYBLRMDKRDXPZ-XOUADPBQSA-N 2 0 348.451 -0.337 20 0 EBADRP O=C(N[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1)C12CCC[NH+]1CCC2 ZINC000984203395 807215268 /nfs/dbraw/zinc/21/52/68/807215268.db2.gz MDFROINSMSHBDU-MGPQQGTHSA-N 2 0 348.447 -0.096 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2C[C@H](NC(=O)C3CC[NH+](C)CC3)C2)nc1=O ZINC000984731167 807382963 /nfs/dbraw/zinc/38/29/63/807382963.db2.gz FREJGWSEIPMZCO-AULYBMBSSA-N 2 0 336.440 -0.565 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000984808078 807390657 /nfs/dbraw/zinc/39/06/57/807390657.db2.gz KXYUVIJGYRBUMC-JOCQHMNTSA-N 2 0 335.456 -0.074 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnnn3C3CC3)C2)C1 ZINC000985120402 807449278 /nfs/dbraw/zinc/44/92/78/807449278.db2.gz QXTLUFPSTVMHNH-JHJVBQTASA-N 2 0 333.440 -0.056 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC([N@H+](C)CC(N)=O)CC1 ZINC000985790706 807583347 /nfs/dbraw/zinc/58/33/47/807583347.db2.gz XWKAYKYPHQFXOP-CYBMUJFWSA-N 2 0 326.441 -0.637 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)C[NH+]1CCCC1 ZINC000987534143 807953611 /nfs/dbraw/zinc/95/36/11/807953611.db2.gz UIVNXCUYWRENMH-STQMWFEESA-N 2 0 337.424 -0.787 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[NH+](C[C@@H](O)Cn3cccn3)CC2)C1 ZINC000989665431 808551624 /nfs/dbraw/zinc/55/16/24/808551624.db2.gz FDACTEYRAXJTRG-HZPDHXFCSA-N 2 0 335.452 -0.270 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC001002458608 809718219 /nfs/dbraw/zinc/71/82/19/809718219.db2.gz DRDGTYALPMQTIE-HOTGVXAUSA-N 2 0 335.452 -0.081 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214336061 810239422 /nfs/dbraw/zinc/23/94/22/810239422.db2.gz SFYRNYOSWXAJOQ-JHJVBQTASA-N 2 0 332.470 -0.934 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001214952879 810294681 /nfs/dbraw/zinc/29/46/81/810294681.db2.gz QHAPKJAPMZDWHO-IJLUTSLNSA-N 2 0 327.429 -0.781 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001215463066 810330693 /nfs/dbraw/zinc/33/06/93/810330693.db2.gz GDLMNOQFGSSZHX-RBSFLKMASA-N 2 0 340.468 -0.378 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(=O)(=O)CC)C1 ZINC001216002580 810354265 /nfs/dbraw/zinc/35/42/65/810354265.db2.gz WCVXLEBCOBWMLO-ZIAGYGMSSA-N 2 0 348.513 -0.296 20 0 EBADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001216091945 810358017 /nfs/dbraw/zinc/35/80/17/810358017.db2.gz YFNODQVEEVRHCJ-UKRRQHHQSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001216410111 810372314 /nfs/dbraw/zinc/37/23/14/810372314.db2.gz RFXGXRVMJANSNP-ZIAGYGMSSA-N 2 0 343.493 -0.047 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COCCOC)C1 ZINC001216511633 810375537 /nfs/dbraw/zinc/37/55/37/810375537.db2.gz XZRLVGXSTQFCPG-OWCLPIDISA-N 2 0 345.484 -0.211 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(=O)(=O)CC)C1 ZINC001216511557 810375805 /nfs/dbraw/zinc/37/58/05/810375805.db2.gz UCWQKCGXDMHRID-ZIAGYGMSSA-N 2 0 348.513 -0.296 20 0 EBADRP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001216757621 810385586 /nfs/dbraw/zinc/38/55/86/810385586.db2.gz GCFQUNOTTCGWMK-RBSFLKMASA-N 2 0 340.468 -0.473 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001216756000 810386244 /nfs/dbraw/zinc/38/62/44/810386244.db2.gz NWQLRWOMJQGVME-BZUAXINKSA-N 2 0 335.452 -0.224 20 0 EBADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216851864 810395810 /nfs/dbraw/zinc/39/58/10/810395810.db2.gz JRHFZBWSBNQQPV-OWCLPIDISA-N 2 0 345.484 -0.213 20 0 EBADRP O=C(N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001014451647 810433248 /nfs/dbraw/zinc/43/32/48/810433248.db2.gz AUXHUJKYDXDPBF-UONOGXRCSA-N 2 0 349.435 -0.930 20 0 EBADRP O=C(N[C@@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001014452482 810433266 /nfs/dbraw/zinc/43/32/66/810433266.db2.gz CXIDVPZHYAFSRJ-CABCVRRESA-N 2 0 348.447 -0.332 20 0 EBADRP O=C(Nc1ccc(C(=O)N2CCOCC2)cn1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218510708 810496745 /nfs/dbraw/zinc/49/67/45/810496745.db2.gz NCSXLXKLTJPXTA-ZDUSSCGKSA-N 2 0 345.403 -0.699 20 0 EBADRP CCOC(=O)c1snc(C(N)=O)c1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218555148 810502555 /nfs/dbraw/zinc/50/25/55/810502555.db2.gz OWNLMJFBPXCYCF-ZCFIWIBFSA-N 2 0 329.382 -0.577 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cc(N2CCN(C)CC2)ncn1 ZINC001218572953 810505083 /nfs/dbraw/zinc/50/50/83/810505083.db2.gz PRNMMDYXXUQAAQ-ZDUSSCGKSA-N 2 0 335.456 -0.116 20 0 EBADRP COC(=O)c1cc(C)cnc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218580391 810507025 /nfs/dbraw/zinc/50/70/25/810507025.db2.gz PMISTAQOYNZMEX-ZDUSSCGKSA-N 2 0 335.408 -0.134 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1cnn(C2CCOCC2)c1 ZINC001218587721 810508424 /nfs/dbraw/zinc/50/84/24/810508424.db2.gz FTMYGFAHRFWLNU-OAHLLOKOSA-N 2 0 336.440 -0.077 20 0 EBADRP CCN1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)CC[NH+](C)C)[C@H]3C2)C1=O ZINC001218600016 810509417 /nfs/dbraw/zinc/50/94/17/810509417.db2.gz FLWBPFCIEQXPFA-QLFBSQMISA-N 2 0 338.452 -0.530 20 0 EBADRP CC[C@@H](C(=O)N1CCO[C@@H]2CN(CC(=O)N(C)CC)C[C@@H]21)[NH+](C)C ZINC001218645655 810515085 /nfs/dbraw/zinc/51/50/85/810515085.db2.gz KZYBRWSBYHKAPA-SOUVJXGZSA-N 2 0 340.468 -0.284 20 0 EBADRP CC[C@@H](C(=O)N1CCO[C@@H]2CN(C[C@@H](O)COC)C[C@@H]21)[NH+](C)C ZINC001218644866 810515582 /nfs/dbraw/zinc/51/55/82/810515582.db2.gz ABRQPZKLSZVDHT-CBBWQLFWSA-N 2 0 329.441 -0.755 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC001218669278 810517400 /nfs/dbraw/zinc/51/74/00/810517400.db2.gz OPLSZDMAMKWTDX-HNNXBMFYSA-N 2 0 338.456 -0.129 20 0 EBADRP Nc1cn(C(=O)c2cnn3c2nccc3[C@@H]2C[NH2+]CCO2)ccc1=[NH2+] ZINC001218694171 810520534 /nfs/dbraw/zinc/52/05/34/810520534.db2.gz SOUXZMLKCDNVHC-AWEZNQCLSA-N 2 0 339.359 -0.058 20 0 EBADRP [NH3+]C1CCN(c2ccc(NC(=O)[C@H]3COC4(C[NH2+]C4)CN3)cn2)CC1 ZINC001218725072 810524273 /nfs/dbraw/zinc/52/42/73/810524273.db2.gz QQGMFFLJZSAUMI-CQSZACIVSA-N 2 0 346.435 -0.722 20 0 EBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218727695 810525132 /nfs/dbraw/zinc/52/51/32/810525132.db2.gz OPCCSSARXMMQBO-HIMNYSJASA-N 2 0 326.422 -0.143 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC001218850017 810535964 /nfs/dbraw/zinc/53/59/64/810535964.db2.gz CLVQUOKSVLGSNM-GFCCVEGCSA-N 2 0 333.392 -0.294 20 0 EBADRP N[C@@]1(C(=O)Nc2ccc(N3CC[NH+](CCO)CC3)cc2)CC[NH2+]C1 ZINC001218872893 810538198 /nfs/dbraw/zinc/53/81/98/810538198.db2.gz CINNRHOAOGYDCT-KRWDZBQOSA-N 2 0 333.436 -0.570 20 0 EBADRP O=C(Nc1ccc(N2CCNC(=O)C2)cc1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218873557 810538529 /nfs/dbraw/zinc/53/85/29/810538529.db2.gz MKCCBOMCRDYDAD-FZKQIMNGSA-N 2 0 343.431 -0.240 20 0 EBADRP CN(C)S(=O)(=O)c1ccccc1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218894162 810543256 /nfs/dbraw/zinc/54/32/56/810543256.db2.gz MXRONMHLRDNADW-JTQLQIEISA-N 2 0 346.478 -0.105 20 0 EBADRP Nc1ccc(OCCO)c(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001218919033 810544803 /nfs/dbraw/zinc/54/48/03/810544803.db2.gz KVFQQXBUCBVOPG-CYBMUJFWSA-N 2 0 337.424 -0.671 20 0 EBADRP C[NH2+][C@@H](CO)C(=O)Nc1cc2c(cc1OC)[C@]1(CC[NH2+]C1)C(=O)N2 ZINC001219500725 810723577 /nfs/dbraw/zinc/72/35/77/810723577.db2.gz HKEGAFYPTKPIBZ-BLLLJJGKSA-N 2 0 334.376 -0.603 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@H]1C[NH2+]C[C@@H]1N)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219504682 810726152 /nfs/dbraw/zinc/72/61/52/810726152.db2.gz WEOWICGQFXJKKQ-LTHLMHMASA-N 2 0 345.403 -0.636 20 0 EBADRP O=C(Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001219536897 810741978 /nfs/dbraw/zinc/74/19/78/810741978.db2.gz GMGIBZJBGUPXQE-UAKXVISKSA-N 2 0 328.372 -0.449 20 0 EBADRP COc1ccc([C@@H]([NH3+])CC(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)cn1 ZINC001219615717 810771501 /nfs/dbraw/zinc/77/15/01/810771501.db2.gz DBJXAQCMNRRVLX-SLEUVZQESA-N 2 0 326.372 -0.341 20 0 EBADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635390 810781953 /nfs/dbraw/zinc/78/19/53/810781953.db2.gz FEARLDJPZVBACK-SRVKXCTJSA-N 2 0 338.387 -0.870 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)C1 ZINC001219637877 810782898 /nfs/dbraw/zinc/78/28/98/810782898.db2.gz IAHGAPGETBLJBC-YNEHKIRRSA-N 2 0 333.440 -0.714 20 0 EBADRP C[C@H]1C[NH2+]C[C@H](CNC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001219651246 810785538 /nfs/dbraw/zinc/78/55/38/810785538.db2.gz UUZIDXYMBINABW-UPJWGTAASA-N 2 0 328.457 -0.393 20 0 EBADRP O=C(NCCC1(O)C[NH2+]C1)[C@@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001219695810 810800222 /nfs/dbraw/zinc/80/02/22/810800222.db2.gz YZJCGNXONQZZRA-CQSZACIVSA-N 2 0 338.477 -0.075 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCc1ccc(S(C)(=O)=O)cn1 ZINC001219716695 810806340 /nfs/dbraw/zinc/80/63/40/810806340.db2.gz YSCLCXFLVFFYBY-ZDUSSCGKSA-N 2 0 328.438 -0.182 20 0 EBADRP [NH3+]C1(C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)CCC2(CC1)OCCO2 ZINC001219736695 810817061 /nfs/dbraw/zinc/81/70/61/810817061.db2.gz FNPXLFSIYHBFHP-GFCCVEGCSA-N 2 0 325.409 -0.504 20 0 EBADRP [NH3+][C@H](C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1)C1CCC2(CC1)OCCO2 ZINC001219736490 810817073 /nfs/dbraw/zinc/81/70/73/810817073.db2.gz CRCNHJTWRPCFSK-KGLIPLIRSA-N 2 0 339.436 -0.258 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219739422 810817243 /nfs/dbraw/zinc/81/72/43/810817243.db2.gz NZXKQWLKCMUAOF-GJZGRUSLSA-N 2 0 346.431 -0.833 20 0 EBADRP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219736941 810817403 /nfs/dbraw/zinc/81/74/03/810817403.db2.gz LFRWEDLJGJCHGM-NWDGAFQWSA-N 2 0 327.425 -0.070 20 0 EBADRP [NH3+][C@H](CC(=O)NCc1nnc2n1CCC[NH2+]C2)Cc1ccncc1 ZINC001219747814 810821367 /nfs/dbraw/zinc/82/13/67/810821367.db2.gz ZNWRKDXHUSMWLD-ZDUSSCGKSA-N 2 0 329.408 -0.257 20 0 EBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219749431 810823403 /nfs/dbraw/zinc/82/34/03/810823403.db2.gz MXZVARSHRMDGBY-LBPRGKRZSA-N 3 0 333.440 -0.738 20 0 EBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001219750039 810823985 /nfs/dbraw/zinc/82/39/85/810823985.db2.gz VLVFTQDSWIVULM-LBPRGKRZSA-N 2 0 334.424 -0.454 20 0 EBADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@H]1CCC[NH+](C2CC[NH2+]CC2)C1 ZINC001219764452 810831015 /nfs/dbraw/zinc/83/10/15/810831015.db2.gz GBKFKZNDKLVZGB-RYRKJORJSA-N 3 0 349.523 -0.140 20 0 EBADRP CCOC(=O)C1(C(=O)NCC[C@@H]2C[NH2+]Cc3cccn3C2)C[NH2+]C1 ZINC001219787486 810839507 /nfs/dbraw/zinc/83/95/07/810839507.db2.gz FEMMGZHBAXOHMV-CYBMUJFWSA-N 2 0 334.420 -0.134 20 0 EBADRP O=C(NCC[C@@H]1C[NH2+]Cc2cccn2C1)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001219789714 810841474 /nfs/dbraw/zinc/84/14/74/810841474.db2.gz XMTGVBRPSSCKDF-DOMZBBRYSA-N 2 0 331.420 -0.808 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001219792012 810842928 /nfs/dbraw/zinc/84/29/28/810842928.db2.gz YEZCTBQGOROMHI-JSGCOSHPSA-N 3 0 325.482 -0.267 20 0 EBADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@@H]1C[NH2+]C[C@@H]2CCO[C@@H]21 ZINC001219796207 810845650 /nfs/dbraw/zinc/84/56/50/810845650.db2.gz QWOSEIXQANNOIO-XKQJLSEDSA-N 3 0 336.480 -0.057 20 0 EBADRP [NH3+]C1(C(=O)NCC[C@H]2CCOC23C[NH2+]C3)CCC2(CC1)OCCO2 ZINC001219800628 810847409 /nfs/dbraw/zinc/84/74/09/810847409.db2.gz LRKSQSRYSFQIDH-ZDUSSCGKSA-N 2 0 339.436 -0.114 20 0 EBADRP O=C(NCc1cc(=O)n2c(n1)CNCCC2)c1coc2c1CNC2 ZINC001219809933 810855104 /nfs/dbraw/zinc/85/51/04/810855104.db2.gz WRJJXFKOEUXCGK-UHFFFAOYSA-N 2 0 329.360 -0.137 20 0 EBADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)cc1 ZINC001219831659 810867124 /nfs/dbraw/zinc/86/71/24/810867124.db2.gz SPMUGRGQLLTHKD-KBXIAJHMSA-N 2 0 332.404 -0.852 20 0 EBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1CCSC12C[NH2+]C2 ZINC001219833735 810868624 /nfs/dbraw/zinc/86/86/24/810868624.db2.gz IFFJWVRHPFXLTR-NFAWXSAZSA-N 2 0 341.477 -0.407 20 0 EBADRP NC(=[NH2+])NCCCCC(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837284 810871342 /nfs/dbraw/zinc/87/13/42/810871342.db2.gz IVYDCBIQAVLJBZ-DOMZBBRYSA-N 2 0 327.429 -0.849 20 0 EBADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1[nH]nc2c1C[NH2+]CC2 ZINC001219845297 810875446 /nfs/dbraw/zinc/87/54/46/810875446.db2.gz VSXMCYSXHYIXBN-ZBEGNZNMSA-N 2 0 335.408 -0.820 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847511 810878278 /nfs/dbraw/zinc/87/82/78/810878278.db2.gz JHLLEDZWVNCQHB-HTVCTNPSSA-N 2 0 326.441 -0.500 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852661 810878896 /nfs/dbraw/zinc/87/88/96/810878896.db2.gz WXYCCCWUGHEWFZ-YYFQZIEXSA-N 2 0 340.468 -0.395 20 0 EBADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)c1ccc2c(c1)[C@H]1C[NH2+]C[C@H]1NC2=O ZINC001219856346 810880418 /nfs/dbraw/zinc/88/04/18/810880418.db2.gz JBOFYWOJWOSKOT-DGXTUMSLSA-N 2 0 342.399 -0.798 20 0 EBADRP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854493 810881229 /nfs/dbraw/zinc/88/12/29/810881229.db2.gz KCXYRQBQBFSUSD-QNWHQSFQSA-N 2 0 327.425 -0.071 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H](O)COc1ccccc1 ZINC001219919105 810907146 /nfs/dbraw/zinc/90/71/46/810907146.db2.gz XUCUPBXDZMJEMB-GOEBONIOSA-N 2 0 336.436 -0.707 20 0 EBADRP O=C(NCc1cccnc1C1CC[NH2+]CC1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219929713 810912609 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ZIECCKHUJIEILJ-IHRRRGAJSA-N 2 0 326.441 -0.414 20 0 EBADRP CC(C)(C)OC(=O)C1(NC(=O)[C@@H]2C[NH2+]CCN2)CCC([NH3+])CC1 ZINC001220039631 810957464 /nfs/dbraw/zinc/95/74/64/810957464.db2.gz MKWKQDRZZCZMOX-BGMSHATGSA-N 2 0 326.441 -0.354 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220149996 811001519 /nfs/dbraw/zinc/00/15/19/811001519.db2.gz MKARYGHWZBPTMS-CRWXNKLISA-N 3 0 325.457 -0.713 20 0 EBADRP [NH3+]CC1(NC(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)COC1 ZINC001220156923 811003415 /nfs/dbraw/zinc/00/34/15/811003415.db2.gz QBNVXUMAHJTRLP-QMMMGPOBSA-N 2 0 326.319 -0.994 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)[C@H]([NH3+])CCCNC(N)=O)CC1 ZINC001220200889 811013881 /nfs/dbraw/zinc/01/38/81/811013881.db2.gz YLFJETJJWKFIKS-CYBMUJFWSA-N 2 0 329.445 -0.621 20 0 EBADRP COC(=O)[C@]1(NC(=O)[C@@H]2C[NH2+]C[C@H]2O)CC[N@H+](Cc2ccccc2)C1 ZINC001220228517 811026272 /nfs/dbraw/zinc/02/62/72/811026272.db2.gz OUBAWEUWTSYGPB-RKVPGOIHSA-N 2 0 347.415 -0.499 20 0 EBADRP CCOC(=O)CC[C@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)C(=O)OCC ZINC001220230314 811028105 /nfs/dbraw/zinc/02/81/05/811028105.db2.gz IPUZVBRZQXNLCU-NEPJUHHUSA-N 2 0 341.408 -0.813 20 0 EBADRP Cc1nc[nH]c1CSCCNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220258632 811037861 /nfs/dbraw/zinc/03/78/61/811037861.db2.gz NQKQZKGBXBHCPA-CYBMUJFWSA-N 2 0 340.497 -0.182 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC001220270723 811040877 /nfs/dbraw/zinc/04/08/77/811040877.db2.gz DHCUTGSJMZEOBC-AWEZNQCLSA-N 2 0 344.423 -0.767 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCn1nnc2ccccc21 ZINC001220273052 811042058 /nfs/dbraw/zinc/04/20/58/811042058.db2.gz ZKQUFWZFSXPAIT-CYBMUJFWSA-N 2 0 331.424 -0.702 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220276564 811043534 /nfs/dbraw/zinc/04/35/34/811043534.db2.gz FKBPLBWBEMCJNR-MJBXVCDLSA-N 2 0 326.441 -0.984 20 0 EBADRP O=C(NCc1ncn2c1C[NH2+]CCC2)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001220311048 811051447 /nfs/dbraw/zinc/05/14/47/811051447.db2.gz JPWDABWGVYRNLB-LBPRGKRZSA-N 2 0 346.435 -0.892 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220315235 811053320 /nfs/dbraw/zinc/05/33/20/811053320.db2.gz AWJNVSWJABVUSV-QDEZUTFSSA-N 2 0 340.468 -0.108 20 0 EBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001220335685 811059164 /nfs/dbraw/zinc/05/91/64/811059164.db2.gz QNESEMCDMBOFOV-GOEBONIOSA-N 2 0 325.501 -0.027 20 0 EBADRP N[C@@H](C[NH3+])C(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220354362 811068663 /nfs/dbraw/zinc/06/86/63/811068663.db2.gz QPDZMHOHSFCUTH-ILXRZTDVSA-N 2 0 334.420 -0.152 20 0 EBADRP [NH3+]C[C@H](O)C(=O)N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220353345 811068885 /nfs/dbraw/zinc/06/88/85/811068885.db2.gz IKMALPYIZRUZBL-QLFBSQMISA-N 2 0 335.404 -0.119 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCc1c[nH]c2cccnc12 ZINC001220386081 811085679 /nfs/dbraw/zinc/08/56/79/811085679.db2.gz JASJYJGFCJMWFQ-AWEZNQCLSA-N 2 0 330.436 -0.028 20 0 EBADRP COCCC[N@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387592 811085927 /nfs/dbraw/zinc/08/59/27/811085927.db2.gz MTIXEZHZBHXOEK-OAGGEKHMSA-N 2 0 343.468 -0.315 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H](CO)Cc1ccccc1 ZINC001220406690 811097242 /nfs/dbraw/zinc/09/72/42/811097242.db2.gz VSKJJPKQSWPAOS-NVXWUHKLSA-N 2 0 334.464 -0.296 20 0 EBADRP CCCn1c(=O)cc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)n(CCC)c1=O ZINC001220424809 811102849 /nfs/dbraw/zinc/10/28/49/811102849.db2.gz VEEFTPITMSFXTC-GFCCVEGCSA-N 2 0 349.435 -0.423 20 0 EBADRP [NH3+][C@H](Cc1cn(C=O)c2ccccc12)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220429769 811104816 /nfs/dbraw/zinc/10/48/16/811104816.db2.gz YYEOHBSDZAKQNK-UKRRQHHQSA-N 2 0 330.388 -0.346 20 0 EBADRP [NH3+][C@@H](CNC(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2)c1ccccc1 ZINC001220501225 811127614 /nfs/dbraw/zinc/12/76/14/811127614.db2.gz OKSCZJVBRKMRJT-KBPBESRZSA-N 2 0 341.419 -0.260 20 0 EBADRP COC(C)(CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])OC ZINC001220509457 811129884 /nfs/dbraw/zinc/12/98/84/811129884.db2.gz YRSUHOVEACODFQ-STQMWFEESA-N 2 0 344.456 -0.441 20 0 EBADRP COC(=O)c1ncc(=O)[nH]c1NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001220514603 811133451 /nfs/dbraw/zinc/13/34/51/811133451.db2.gz RNTGKEFRMLMGIX-VIFPVBQESA-N 2 0 325.369 -0.034 20 0 EBADRP CN(CC[NH3+])CCNC(=O)C1(N)CC[NH+](Cc2ccccc2)CC1 ZINC001220517700 811134261 /nfs/dbraw/zinc/13/42/61/811134261.db2.gz WLSBPEBTFVSXMQ-UHFFFAOYSA-N 2 0 333.480 -0.013 20 0 EBADRP C[NH2+][C@@H](COCc1ccccc1)C(=O)NCCOCCOCC[NH3+] ZINC001220519149 811135786 /nfs/dbraw/zinc/13/57/86/811135786.db2.gz DCEXMCLPELMIKU-INIZCTEOSA-N 2 0 339.436 -0.101 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC[NH2+]C1 ZINC001220521916 811137867 /nfs/dbraw/zinc/13/78/67/811137867.db2.gz TZZQTNAENBRWDQ-AWEZNQCLSA-N 3 0 336.436 -0.213 20 0 EBADRP O=C(NCc1ccccc1-n1cnnn1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220668751 811196098 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QHPQMSZXFJADNI-CHWSQXEVSA-N 2 0 336.436 -0.403 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220829235 811258369 /nfs/dbraw/zinc/25/83/69/811258369.db2.gz PAIUXHGABCGLDJ-KFWWJZLASA-N 2 0 340.468 -0.594 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@H]([NH3+])CCC(=O)OC(C)(C)C)C[NH2+]C1 ZINC001220828824 811258465 /nfs/dbraw/zinc/25/84/65/811258465.db2.gz UUHCGXPTOQWMCG-LLVKDONJSA-N 2 0 341.408 -0.028 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@H]2CCCCN2[C@H]2CC[NH2+]C2)C[NH2+]C1 ZINC001220829809 811258713 /nfs/dbraw/zinc/25/87/13/811258713.db2.gz AEPUQGSXOIVNDU-SWLSCSKDSA-N 2 0 336.436 -0.261 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)C[NH2+]C1 ZINC001220828714 811259477 /nfs/dbraw/zinc/25/94/77/811259477.db2.gz QHPQMSZXFJADNI-STQMWFEESA-N 2 0 336.436 -0.403 20 0 EBADRP CCOC(=O)C1=C(NC(=O)c2cccnc2N2CC[NH2+]CC2)C[NH2+]C1 ZINC001220831677 811260329 /nfs/dbraw/zinc/26/03/29/811260329.db2.gz BFDSISWQSZKCHL-UHFFFAOYSA-N 2 0 345.403 -0.359 20 0 EBADRP CCOC(=O)C1(NC(=O)c2cccnc2O[C@@H]2CC[NH2+]C2)C[NH2+]C1 ZINC001220853147 811266863 /nfs/dbraw/zinc/26/68/63/811266863.db2.gz NOSOJUUCFMDFID-LLVKDONJSA-N 2 0 334.376 -0.543 20 0 EBADRP CCOC(=O)C1(NC(=O)C[C@H]2CO[C@]3(C2)CCC[NH2+]C3)C[NH2+]C1 ZINC001220851394 811267358 /nfs/dbraw/zinc/26/73/58/811267358.db2.gz UYGRTRPJTNDPMS-DOMZBBRYSA-N 2 0 325.409 -0.444 20 0 EBADRP [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001220870477 811276616 /nfs/dbraw/zinc/27/66/16/811276616.db2.gz LCRMCDKLOWBQQO-ONGXEEELSA-N 2 0 329.198 -0.527 20 0 EBADRP [NH3+]CCN(CCNC(=O)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2)N(O)N=O ZINC001220901435 811288491 /nfs/dbraw/zinc/28/84/91/811288491.db2.gz ZKOGURAFCQGPBP-GXTWGEPZSA-N 2 0 344.416 -0.800 20 0 EBADRP O=C(NCCO[C@H]1CC[NH2+]C1)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001220937485 811301002 /nfs/dbraw/zinc/30/10/02/811301002.db2.gz SSJQWOMAQVDPCK-KBPBESRZSA-N 2 0 333.436 -0.371 20 0 EBADRP COCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986059 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0 331.420 -0.274 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCNC(=O)c1cccs1 ZINC001221309162 811438169 /nfs/dbraw/zinc/43/81/69/811438169.db2.gz JLALQLUPRZRLNA-GFCCVEGCSA-N 2 0 339.465 -0.656 20 0 EBADRP COC(=O)c1ccc([C@H](CO)NC(=O)[C@@H]([NH3+])CSCC[NH3+])cc1 ZINC001221365502 811446036 /nfs/dbraw/zinc/44/60/36/811446036.db2.gz FAJSXGDBXIZHJS-STQMWFEESA-N 2 0 341.433 -0.358 20 0 EBADRP C[NH+](C)CC1CCC(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001221403440 811450333 /nfs/dbraw/zinc/45/03/33/811450333.db2.gz SOUNXEZBRZGCBU-AVVWSFFYSA-N 3 0 325.501 -0.027 20 0 EBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@@H](C2CCC2)C2C[NH2+]C2)COC1(C)C ZINC001221412728 811451801 /nfs/dbraw/zinc/45/18/01/811451801.db2.gz GEUKANLQDWYJFF-BPNCWPANSA-N 2 0 338.452 -0.199 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](CCOCCO)C[C@H]32)CC[N@@H+]1C ZINC001221561084 811490208 /nfs/dbraw/zinc/49/02/08/811490208.db2.gz XMSLFNKCEYWJKF-KLHDSHLOSA-N 2 0 325.453 -0.132 20 0 EBADRP COCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221946947 811568377 /nfs/dbraw/zinc/56/83/77/811568377.db2.gz KHOKPYHYGZPHHL-HZPDHXFCSA-N 2 0 343.468 -0.240 20 0 EBADRP CCOC(=O)[C@H]1C[NH2+]CCN1Cc1ccc(N2CC[NH2+]CC2)nc1 ZINC001222079741 811592554 /nfs/dbraw/zinc/59/25/54/811592554.db2.gz FLZUWNFBSSQLHQ-OAHLLOKOSA-N 2 0 333.436 -0.172 20 0 EBADRP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CCOCC4(CC[NH2+]CC4)C3)[C@@H](O)[C@@H]2O1 ZINC001222402144 811626065 /nfs/dbraw/zinc/62/60/65/811626065.db2.gz ZEMRMFXVKYOYMV-XGUBFFRZSA-N 2 0 342.436 -0.074 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001223654990 811720737 /nfs/dbraw/zinc/72/07/37/811720737.db2.gz RPQGGFWWMRBHAX-UHFFFAOYSA-N 2 0 341.456 -0.260 20 0 EBADRP C[NH+](C)CCCC(=O)NCC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001224268579 811752875 /nfs/dbraw/zinc/75/28/75/811752875.db2.gz BDCKSJOEQQSUPZ-CQSZACIVSA-N 2 0 338.452 -0.038 20 0 EBADRP CC[C@@H](C(=O)NCC1CC[NH+](CC(=O)NC(N)=O)CC1)[NH+](C)C ZINC001224583148 811767869 /nfs/dbraw/zinc/76/78/69/811767869.db2.gz KNLIJJWBGPHDFA-LBPRGKRZSA-N 2 0 327.429 -0.650 20 0 EBADRP C[C@H](C(N)=O)[NH+]1CCC(CNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001225020074 811788015 /nfs/dbraw/zinc/78/80/15/811788015.db2.gz NMWDJKZPHPDFJT-CYBMUJFWSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@H](C(N)=O)[NH+]1CCC(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001225447950 811810406 /nfs/dbraw/zinc/81/04/06/811810406.db2.gz CTPWAOVGYCOPJZ-UONOGXRCSA-N 2 0 340.468 -0.343 20 0 EBADRP CCN(C(=O)COCC[NH+](C)C)C1CN(C(=O)CCC[NH+](C)C)C1 ZINC001080138195 811912344 /nfs/dbraw/zinc/91/23/44/811912344.db2.gz BQMHIPRBZLNFBJ-UHFFFAOYSA-N 2 0 342.484 -0.034 20 0 EBADRP C[NH+](C)CC1(C(=O)NC2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)CC1 ZINC001228888493 812002744 /nfs/dbraw/zinc/00/27/44/812002744.db2.gz GWXFWIBNAMDQPD-ZDUSSCGKSA-N 2 0 336.436 -0.286 20 0 EBADRP CC[N@H+](C)CCC(=O)NC1CC[NH+](C[C@@H](O)COCCOC)CC1 ZINC001229909002 812060441 /nfs/dbraw/zinc/06/04/41/812060441.db2.gz QJKGHLCRJFWFEE-MRXNPFEDSA-N 2 0 345.484 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/nfs/dbraw/zinc/51/46/27/812514627.db2.gz QFYXSPCSMHAQND-UHFFFAOYSA-N 2 0 341.481 -0.931 20 0 EBADRP c1nnn(Cc2ccccc2)c1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235869878 812514705 /nfs/dbraw/zinc/51/47/05/812514705.db2.gz GEAFOXSSQQXRMB-UHFFFAOYSA-N 2 0 343.479 -0.089 20 0 EBADRP CCOC(=O)c1ccnc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235870187 812514817 /nfs/dbraw/zinc/51/48/17/812514817.db2.gz JPZJNLBITPQVMP-UHFFFAOYSA-N 2 0 335.452 -0.157 20 0 EBADRP Nc1ccnc(Cl)c1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310037 812517391 /nfs/dbraw/zinc/51/73/91/812517391.db2.gz UOJLGTLYWPRKSC-UHFFFAOYSA-N 2 0 328.848 -0.067 20 0 EBADRP CCOC1(OCC)CC[NH2+]C[C@@H]1NS(=O)(=O)C1CC[NH2+]CC1 ZINC001238183228 812525235 /nfs/dbraw/zinc/52/52/35/812525235.db2.gz UTAYOLUSMQEOSQ-ZDUSSCGKSA-N 2 0 335.470 -0.211 20 0 EBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCNC[C@]2(CCCC[NH2+]2)C1 ZINC001239015677 812539061 /nfs/dbraw/zinc/53/90/61/812539061.db2.gz DREKHMBYXXDBQY-OAHLLOKOSA-N 2 0 330.498 -0.267 20 0 EBADRP CCOC(=O)[C@]12CN(S(=O)(=O)[C@H]3CC[NH2+]C3)C[C@H]1C[NH2+]CC2 ZINC001239111686 812545285 /nfs/dbraw/zinc/54/52/85/812545285.db2.gz SOURYXMXRMFPEL-MBNYWOFBSA-N 2 0 331.438 -0.847 20 0 EBADRP COC(=O)[C@@H]1CCC[N@@H+](C2CCN(S(=O)(=O)CC[NH3+])CC2)C1 ZINC001239136384 812548819 /nfs/dbraw/zinc/54/88/19/812548819.db2.gz JSAVWJLQRPMSJJ-GFCCVEGCSA-N 2 0 333.454 -0.376 20 0 EBADRP CCOC(=O)[C@@H]1CN(S(=O)(=O)[C@H]2CC[NH2+]C2)CCC12C[NH2+]C2 ZINC001239181019 812550114 /nfs/dbraw/zinc/55/01/14/812550114.db2.gz LTQVABKUXXAZKK-RYUDHWBXSA-N 2 0 331.438 -0.847 20 0 EBADRP c1ncc(N2CC[NH2+]CC2)nc1-c1cnc(N2CC[NH2+]CC2)nc1 ZINC001241894610 812553768 /nfs/dbraw/zinc/55/37/68/812553768.db2.gz DHCMXZBXALFNAM-UHFFFAOYSA-N 2 0 326.408 -0.247 20 0 EBADRP CCOC(=O)C[C@]1(NC[C@H](O)CC2(O)CC[NH2+]CC2)CC[NH2+]C1 ZINC001245979397 812556950 /nfs/dbraw/zinc/55/69/50/812556950.db2.gz IWXCPBMADWISQE-UKRRQHHQSA-N 2 0 329.441 -0.873 20 0 EBADRP OCCc1ccc(OC[C@H](O)C[NH2+]C2CN(C3CC[NH2+]CC3)C2)cc1 ZINC001245991719 812558707 /nfs/dbraw/zinc/55/87/07/812558707.db2.gz WIFSXXQQKIMCPY-GOSISDBHSA-N 2 0 349.475 -0.013 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001246024845 812559435 /nfs/dbraw/zinc/55/94/35/812559435.db2.gz QKQPOOSAMSDGHE-JKSUJKDBSA-N 2 0 332.448 -0.529 20 0 EBADRP CC1(N2CC[NH+](C[C@@H](O)CC3(O)CC[NH2+]CC3)CC2)CC[NH2+]CC1 ZINC001246046976 812560948 /nfs/dbraw/zinc/56/09/48/812560948.db2.gz USHMUQZJIHJMSL-INIZCTEOSA-N 3 0 340.512 -0.388 20 0 EBADRP O[C@@H](CN1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1)CC1(O)CC[NH2+]CC1 ZINC001246031786 812560960 /nfs/dbraw/zinc/56/09/60/812560960.db2.gz IUJZERQJYHSOCS-SCRDCRAPSA-N 2 0 337.386 -0.064 20 0 EBADRP [NH3+]CCN(CC[NH3+])C[C@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 ZINC001246052109 812561136 /nfs/dbraw/zinc/56/11/36/812561136.db2.gz BQXMJKPTZJXSEW-LSDHHAIUSA-N 2 0 340.378 -0.274 20 0 EBADRP COCCCN(C[C@@H](O)CC1(O)CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001246046536 812561237 /nfs/dbraw/zinc/56/12/37/812561237.db2.gz ROZPUCOZABYKSR-CVEARBPZSA-N 2 0 329.485 -0.058 20 0 EBADRP CCOCC[N@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001246070555 812563689 /nfs/dbraw/zinc/56/36/89/812563689.db2.gz SERHAZILPZILKY-MRXNPFEDSA-N 3 0 329.485 -0.058 20 0 EBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)C[C@@H]1C(=O)OC ZINC001246085892 812564461 /nfs/dbraw/zinc/56/44/61/812564461.db2.gz AZZWIWPUVAHWOT-NKSTYXRASA-N 2 0 332.372 -0.621 20 0 EBADRP O=S(=O)(CC[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2)N1CCNCC1 ZINC001246103718 812565085 /nfs/dbraw/zinc/56/50/85/812565085.db2.gz WMLSHKYVRBBJIF-AWEZNQCLSA-N 2 0 330.498 -0.267 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)CCN1 ZINC001246140553 812566060 /nfs/dbraw/zinc/56/60/60/812566060.db2.gz ACEVIMIWOYIPKR-PNBKFKSVSA-N 2 0 341.452 -0.345 20 0 EBADRP O=C([C@@H]1C[C@@H]([NH2+]C[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)CN1)N1CCSC1 ZINC001246147785 812566956 /nfs/dbraw/zinc/56/69/56/812566956.db2.gz JVHPSFYZRFADIB-ARILJUKYSA-N 2 0 340.493 -0.536 20 0 EBADRP O=C([C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)CN1)N1CCSC1 ZINC001246149581 812567065 /nfs/dbraw/zinc/56/70/65/812567065.db2.gz KDLKNFYFNWHJGY-YTFOTSKYSA-N 2 0 340.493 -0.394 20 0 EBADRP O=C([C@@H]1C[C@H]([NH2+]CCC2(O)CC[NH2+]CC2)CN1)N1CCSC1 ZINC001246187224 812567227 /nfs/dbraw/zinc/56/72/27/812567227.db2.gz NPBDCRJYATXXEU-STQMWFEESA-N 2 0 328.482 -0.656 20 0 EBADRP NC(=[NH2+])N([C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)C1CC[NH2+]CC1 ZINC001246193529 812567912 /nfs/dbraw/zinc/56/79/12/812567912.db2.gz GXRCCKZLVKYZKP-RYUDHWBXSA-N 3 0 326.470 -0.803 20 0 EBADRP C[C@@H]1CC[C@@H](NCCOCCOCCOCCOCC[NH3+])C[NH2+]1 ZINC001246212107 812567975 /nfs/dbraw/zinc/56/79/75/812567975.db2.gz CLYKWBDBDIHWEY-HZPDHXFCSA-N 2 0 333.473 -0.258 20 0 EBADRP CC[C@]1(C(=O)OC)C[C@@H]([NH2+]CCOCCOCCOCC[NH3+])CN1 ZINC001246288998 812569170 /nfs/dbraw/zinc/56/91/70/812569170.db2.gz MXMIPELBWNLEHO-GDBMZVCRSA-N 2 0 347.456 -0.732 20 0 EBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)C[NH+](C)C)CC2)CN1 ZINC001246393400 812572108 /nfs/dbraw/zinc/57/21/08/812572108.db2.gz FGXUWJZFDVMKEQ-AJNGGQMLSA-N 2 0 340.468 -0.141 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC1C[C@H]2CC(C(=O)OC)C[C@@H](C1)[NH2+]2 ZINC001246514103 812575332 /nfs/dbraw/zinc/57/53/32/812575332.db2.gz ZCZKMAWPXXNFDV-FTGKKSIPSA-N 2 0 340.468 -0.108 20 0 EBADRP O=C([C@@H]1C[C@@H](N2CCC[C@]3(C[NH2+]CCO3)C2)C[NH2+]1)N1CCSC1 ZINC001246647060 812577806 /nfs/dbraw/zinc/57/78/06/812577806.db2.gz GRRMYARDZVATGC-YCPHGPKFSA-N 2 0 340.493 -0.296 20 0 EBADRP CNC(=O)C[N@@H+]1CCCC12CCN([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246706726 812581731 /nfs/dbraw/zinc/58/17/31/812581731.db2.gz LOLNHWTXSYNECC-HNNXBMFYSA-N 2 0 335.496 -0.243 20 0 EBADRP CC(C)NC(=O)[C@H]1COC[C@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246738429 812584657 /nfs/dbraw/zinc/58/46/57/812584657.db2.gz NEQGVXWERDWNPA-FPCVCCKLSA-N 2 0 336.480 -0.201 20 0 EBADRP COCC[N@@H+]1CCO[C@@H]2C[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]2C1 ZINC001246727963 812584765 /nfs/dbraw/zinc/58/47/65/812584765.db2.gz ISFSZNBBQDWWKJ-IXDOHACOSA-N 3 0 338.496 -0.251 20 0 EBADRP O=C1C[C@]2(CC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)CN1c1cncnc1 ZINC001246772953 812587561 /nfs/dbraw/zinc/58/75/61/812587561.db2.gz CKUXSKFCCJXPBL-PBHICJAKSA-N 2 0 342.447 -0.001 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+]([C@@H]3CCOC4(C[NH2+]C4)C3)C[C@H]1C2 ZINC001246874124 812591252 /nfs/dbraw/zinc/59/12/52/812591252.db2.gz VWVXBOQVANJNLO-NSIVTLKISA-N 3 0 335.448 -0.162 20 0 EBADRP c1ccc(N2CCN(C3C[NH+]([C@@H]4CCNC5(C[NH2+]C5)C4)C3)CC2)nc1 ZINC001246861585 812591307 /nfs/dbraw/zinc/59/13/07/812591307.db2.gz ZBRGPAAFPVPKRU-MRXNPFEDSA-N 2 0 342.491 -0.018 20 0 EBADRP NC(=O)C1CC[NH+](C2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)CC1 ZINC001246867536 812591879 /nfs/dbraw/zinc/59/18/79/812591879.db2.gz YLFLJPSUCCWWQK-MRXNPFEDSA-N 3 0 335.496 -0.258 20 0 EBADRP [NH3+]C1CN([C@@H]2CCCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)C1 ZINC001246867452 812592094 /nfs/dbraw/zinc/59/20/94/812592094.db2.gz HZWAINBGFUGJKY-ILXRZTDVSA-N 2 0 339.509 -0.643 20 0 EBADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H](O)CN1CCOCC1 ZINC001251018217 812616081 /nfs/dbraw/zinc/61/60/81/812616081.db2.gz WXRDJKBPLUUNKO-YESZJQIVSA-N 2 0 326.485 -0.610 20 0 EBADRP C[N@@H+]1CC[C@@H](N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)C1 ZINC001255433153 812713433 /nfs/dbraw/zinc/71/34/33/812713433.db2.gz WHSACXYOCCWXTP-GFCCVEGCSA-N 2 0 327.454 -0.506 20 0 EBADRP C[NH2+]CCN(C)C(=O)C(=O)N(C(C)=O)c1cccc2c1C[NH2+]CC2 ZINC001261876458 813004267 /nfs/dbraw/zinc/00/42/67/813004267.db2.gz IHYSILPLCCXMRV-UHFFFAOYSA-N 2 0 332.404 -0.110 20 0 EBADRP CN(CCOCC[NH3+])C(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC001262009018 813028986 /nfs/dbraw/zinc/02/89/86/813028986.db2.gz HSSLBEBRVIWDKT-VIFPVBQESA-N 2 0 332.355 -0.203 20 0 EBADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC001262063767 813030535 /nfs/dbraw/zinc/03/05/35/813030535.db2.gz IUZPQLSCEWWAEY-ZIAGYGMSSA-N 2 0 340.468 -0.060 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC001262064411 813031504 /nfs/dbraw/zinc/03/15/04/813031504.db2.gz ZQBPGUKMUDMDBL-ZIAGYGMSSA-N 2 0 325.457 -0.922 20 0 EBADRP CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])N1CC[NH+](C)CC1 ZINC001262066272 813032203 /nfs/dbraw/zinc/03/22/03/813032203.db2.gz WWBUKHZEXIKQKH-HUUCEWRRSA-N 2 0 339.484 -0.676 20 0 EBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC001262202760 813046515 /nfs/dbraw/zinc/04/65/15/813046515.db2.gz BJUBIEHWSCXNDS-CQSZACIVSA-N 2 0 340.468 -0.247 20 0 EBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001262542108 813090958 /nfs/dbraw/zinc/09/09/58/813090958.db2.gz QGGWSOPLTDJXRI-XJKCOSOUSA-N 2 0 326.441 -0.712 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001081506651 813098941 /nfs/dbraw/zinc/09/89/41/813098941.db2.gz VGAUMWDOBPWOQL-LSDHHAIUSA-N 2 0 342.484 -0.395 20 0 EBADRP COC[C@@]1(C(=O)NCCCCCN2CC[NH2+]CC2)C[NH2+]CCO1 ZINC001263207977 813108732 /nfs/dbraw/zinc/10/87/32/813108732.db2.gz XBRYJPUXEDDKNP-MRXNPFEDSA-N 2 0 328.457 -0.817 20 0 EBADRP [NH3+]CCN1CCC[C@@H](C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C1=O ZINC001263187192 813109127 /nfs/dbraw/zinc/10/91/27/813109127.db2.gz COGHYWALMVFFAA-KBPBESRZSA-N 2 0 338.452 -0.541 20 0 EBADRP O=C(NCc1nc(C[NH2+]CCO)cc(=O)[nH]1)[C@@H]1C[NH+]2CCC1CC2 ZINC001264025271 813139920 /nfs/dbraw/zinc/13/99/20/813139920.db2.gz DBNHMKQRITUWJZ-CYBMUJFWSA-N 2 0 335.408 -0.778 20 0 EBADRP COCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)n1 ZINC001264028313 813141991 /nfs/dbraw/zinc/14/19/91/813141991.db2.gz ROQVNDRQEHFUBU-GFCCVEGCSA-N 2 0 337.424 -0.124 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001265068979 813233505 /nfs/dbraw/zinc/23/35/05/813233505.db2.gz WOQZFPAOXVMVIN-QWHCGFSZSA-N 2 0 341.456 -0.390 20 0 EBADRP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CCN1CCNC1=O ZINC001265103915 813239152 /nfs/dbraw/zinc/23/91/52/813239152.db2.gz BMVDZRZEYUHTQX-CQSZACIVSA-N 2 0 325.457 -0.066 20 0 EBADRP CC[N@H+](CCCNC(=O)COC1CC[NH+](C)CC1)[C@H]1CCNC1=O ZINC001265139076 813246659 /nfs/dbraw/zinc/24/66/59/813246659.db2.gz CKGLGHHVARPWEC-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(=O)NCCOCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001265316991 813303896 /nfs/dbraw/zinc/30/38/96/813303896.db2.gz HPGYMXRJYWJFFU-HNNXBMFYSA-N 2 0 326.441 -0.575 20 0 EBADRP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001265566303 813341211 /nfs/dbraw/zinc/34/12/11/813341211.db2.gz CUCJZVQAXWQWKN-TUAOUCFPSA-N 2 0 325.413 -0.885 20 0 EBADRP O=C(N1CCC[C@@H](C[NH2+]CCOCCO)C1)C12CC[NH+](CC1)C2 ZINC001265629960 813352663 /nfs/dbraw/zinc/35/26/63/813352663.db2.gz IIJATNQQLOXHAI-HNNXBMFYSA-N 2 0 325.453 -0.081 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CCN1C(=O)CNC1=O)[NH+](C)C ZINC001265852648 813385572 /nfs/dbraw/zinc/38/55/72/813385572.db2.gz GWQTXAVJSGGRTL-YPMHNXCESA-N 2 0 327.429 -0.781 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001265869727 813393601 /nfs/dbraw/zinc/39/36/01/813393601.db2.gz ATDATOZBZSPLME-QWHCGFSZSA-N 2 0 339.440 -0.493 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C(=O)NCC[NH2+]CCCO)C1 ZINC001265881322 813402227 /nfs/dbraw/zinc/40/22/27/813402227.db2.gz HWDAXDHCPIXEQX-LSDHHAIUSA-N 2 0 340.468 -0.593 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001265989077 813433806 /nfs/dbraw/zinc/43/38/06/813433806.db2.gz AZHPOMQDDVKUIV-HUUCEWRRSA-N 2 0 337.468 -0.066 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CCN2CCNC2=O)C1)[NH+](C)C ZINC001266015601 813439507 /nfs/dbraw/zinc/43/95/07/813439507.db2.gz HNYNUWZKYLAKGW-KGLIPLIRSA-N 2 0 325.457 -0.210 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081703091 813442572 /nfs/dbraw/zinc/44/25/72/813442572.db2.gz LSQVFSWUKZITFN-KBPBESRZSA-N 2 0 328.457 -0.785 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081703697 813442625 /nfs/dbraw/zinc/44/26/25/813442625.db2.gz TXRRSHMDVVJEJU-HUUCEWRRSA-N 2 0 340.468 -0.641 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081732025 813485950 /nfs/dbraw/zinc/48/59/50/813485950.db2.gz BNFXNJBDHWDYAP-GJZGRUSLSA-N 2 0 342.484 -0.395 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCCN1CC[NH+](CCCO)CC1 ZINC001266270280 813502781 /nfs/dbraw/zinc/50/27/81/813502781.db2.gz ZNJMTKFVVMAMTD-INIZCTEOSA-N 2 0 326.485 -0.023 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@@H]1O ZINC001081774820 813543375 /nfs/dbraw/zinc/54/33/75/813543375.db2.gz UIUWUQNDZAJSQG-GJZGRUSLSA-N 2 0 342.484 -0.396 20 0 EBADRP CS(=O)(=O)CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001266527054 813597310 /nfs/dbraw/zinc/59/73/10/813597310.db2.gz DDSOFFWLSNCIEJ-LSDHHAIUSA-N 2 0 343.493 -0.047 20 0 EBADRP CN(CC[NH2+]CCNS(C)(=O)=O)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001266741558 813657377 /nfs/dbraw/zinc/65/73/77/813657377.db2.gz YIGOBBGIXWXDJJ-ZIAGYGMSSA-N 2 0 346.497 -0.400 20 0 EBADRP CC[C@@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)[NH+](C)C ZINC001266989088 813721789 /nfs/dbraw/zinc/72/17/89/813721789.db2.gz SDNITEHJPUSIOD-KBPBESRZSA-N 2 0 348.513 -0.344 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](C[NH2+]CCN3CCNC3=O)C2)C1 ZINC001267064789 813750673 /nfs/dbraw/zinc/75/06/73/813750673.db2.gz MMCGQZXHELFPMK-GJZGRUSLSA-N 2 0 337.468 -0.209 20 0 EBADRP CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]1CCC(=O)NC1=O ZINC001267251829 813803582 /nfs/dbraw/zinc/80/35/82/813803582.db2.gz RITNLWAIRYTYKI-TZMCWYRMSA-N 2 0 326.441 -0.184 20 0 EBADRP O=C(NC[C@H]1CCC[N@H+]1CCOCCO)[C@@H]1C[NH+]2CCC1CC2 ZINC001267266258 813810599 /nfs/dbraw/zinc/81/05/99/813810599.db2.gz CBVPJADKWYJRCG-HZPDHXFCSA-N 2 0 325.453 -0.082 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@@H+]1CCN1C(=O)CCC1=O ZINC001267282446 813820437 /nfs/dbraw/zinc/82/04/37/813820437.db2.gz QRKGIBFCZKGDTC-CQSZACIVSA-N 2 0 336.436 -0.188 20 0 EBADRP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CCN1C(=O)CNC1=O ZINC001267311896 813843501 /nfs/dbraw/zinc/84/35/01/813843501.db2.gz IWXKJXGXVXYOJI-CYBMUJFWSA-N 2 0 339.440 -0.539 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CC(=O)NC(=O)NC ZINC001267380355 813867851 /nfs/dbraw/zinc/86/78/51/813867851.db2.gz JBWZIPNHPHSURW-GFCCVEGCSA-N 2 0 327.429 -0.636 20 0 EBADRP CC[C@@H](C(=O)N(C)CC[NH2+]CC(=O)Nc1nncs1)[NH+](C)C ZINC001267430881 813890134 /nfs/dbraw/zinc/89/01/34/813890134.db2.gz YKXIPRPFKCUMCS-JTQLQIEISA-N 2 0 328.442 -0.135 20 0 EBADRP CC[C@H](C(=O)N(C)CC[NH2+]CC(=O)N1CCO[C@@H](C)C1)[NH+](C)C ZINC001267456588 813902093 /nfs/dbraw/zinc/90/20/93/813902093.db2.gz BYCGHNHZVUYFPB-UONOGXRCSA-N 2 0 328.457 -0.378 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)C[NH+]2CCCC2)C[C@H](C)O1 ZINC001267469681 813907492 /nfs/dbraw/zinc/90/74/92/813907492.db2.gz OLLBOAKVFIPZTC-GASCZTMLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CC[NH2+]CCc1cnn(C)c1 ZINC001267469787 813907501 /nfs/dbraw/zinc/90/75/01/813907501.db2.gz UULOBFIJJKHLFP-HNNXBMFYSA-N 2 0 337.468 -0.021 20 0 EBADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001082562211 813967268 /nfs/dbraw/zinc/96/72/68/813967268.db2.gz XPNIOJRYHPWTPQ-KWCYVHTRSA-N 2 0 336.436 -0.288 20 0 EBADRP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082742947 814002874 /nfs/dbraw/zinc/00/28/74/814002874.db2.gz XYZHBVCQHHUJMX-RRFJBIMHSA-N 2 0 337.468 -0.210 20 0 EBADRP Cn1nnnc1C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001267900583 814066208 /nfs/dbraw/zinc/06/62/08/814066208.db2.gz ZZCXCUPRBNBIJA-KBPBESRZSA-N 2 0 335.456 -0.120 20 0 EBADRP C[C@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268092151 814122372 /nfs/dbraw/zinc/12/23/72/814122372.db2.gz BLCXGDLTQBOIBL-OLZOCXBDSA-N 2 0 334.486 -0.686 20 0 EBADRP C[C@@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001268095016 814123637 /nfs/dbraw/zinc/12/36/37/814123637.db2.gz RLHLCFDTTBYYQK-LBPRGKRZSA-N 2 0 332.470 -0.932 20 0 EBADRP Cn1cc(CC[NH2+]C[C@@H](O)CNC(=O)C23CCC[NH+](CCC2)C3)cn1 ZINC001268312056 814187474 /nfs/dbraw/zinc/18/74/74/814187474.db2.gz TZDMHJOXAPFZAG-MRXNPFEDSA-N 2 0 349.479 -0.095 20 0 EBADRP C[C@@H](CC[NH2+]CC(=O)NC(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001268380341 814227620 /nfs/dbraw/zinc/22/76/20/814227620.db2.gz ROTHMFWVEBDAKG-NSHDSACASA-N 2 0 325.413 -0.706 20 0 EBADRP C[C@@H](CC[NH2+]CC(=O)N(C)C)NC(=O)COC1CC[NH+](C)CC1 ZINC001268411509 814235400 /nfs/dbraw/zinc/23/54/00/814235400.db2.gz NCSQQWFTMLOBTC-ZDUSSCGKSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268422760 814237931 /nfs/dbraw/zinc/23/79/31/814237931.db2.gz HNRZFJWAASSJNI-UONOGXRCSA-N 2 0 326.441 -0.719 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268556724 814290875 /nfs/dbraw/zinc/29/08/75/814290875.db2.gz QPIMQEGJPPLZOW-RXNFCKPNSA-N 2 0 325.413 -0.812 20 0 EBADRP C[C@@H]([NH2+]C/C=C/CNC(=O)COC1CC[NH+](C)CC1)C(=O)N(C)C ZINC001268606998 814315909 /nfs/dbraw/zinc/31/59/09/814315909.db2.gz RUKWWHCSZOKZLG-VBROQKIQSA-N 2 0 340.468 -0.164 20 0 EBADRP C[C@H]([NH2+]C/C=C/CNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001268614246 814319616 /nfs/dbraw/zinc/31/96/16/814319616.db2.gz UWAOABXGEQTQLD-HEKLCECKSA-N 2 0 325.413 -0.826 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC=CC[NH2+]Cc2cc(=O)n3nccc3[nH]2)C1 ZINC001268626110 814325021 /nfs/dbraw/zinc/32/50/21/814325021.db2.gz MSWRSAWUWFERAD-ZRMMWKCHSA-N 2 0 344.419 -0.264 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001268628229 814327674 /nfs/dbraw/zinc/32/76/74/814327674.db2.gz ZUAYDXIRTIBXIQ-TZARZLCXSA-N 2 0 338.452 -0.505 20 0 EBADRP C[C@H](C[NH2+]CCCS(=O)(=O)N(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001268669031 814344858 /nfs/dbraw/zinc/34/48/58/814344858.db2.gz FEFSXHCCOHZXMN-CYBMUJFWSA-N 2 0 346.497 -0.542 20 0 EBADRP C[C@@H](C[N@H+](C)CCN1C(=O)CNC1=O)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001268736993 814371984 /nfs/dbraw/zinc/37/19/84/814371984.db2.gz XLUAIIYWHYUZQV-STQMWFEESA-N 2 0 339.440 -0.541 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268811794 814394022 /nfs/dbraw/zinc/39/40/22/814394022.db2.gz QNPWFBJEEXDMJC-ZDUSSCGKSA-N 2 0 341.456 -0.246 20 0 EBADRP C[C@H]([NH2+]CCCN(C)C(=O)CC[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001268958401 814458133 /nfs/dbraw/zinc/45/81/33/814458133.db2.gz JLHOYKFPMNYIKS-ZDUSSCGKSA-N 2 0 341.456 -0.116 20 0 EBADRP Cn1cc(CC[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)cn1 ZINC001083465554 814461471 /nfs/dbraw/zinc/46/14/71/814461471.db2.gz ITJVOTVCWGZFRK-ZACQAIPSSA-N 2 0 347.463 -0.534 20 0 EBADRP CN(CC(=O)N1CC2(C1)CC[N@H+](Cc1cccc(=O)[nH]1)C2)C(N)=[NH2+] ZINC001268996578 814467496 /nfs/dbraw/zinc/46/74/96/814467496.db2.gz NOCIHSGHISTHMI-UHFFFAOYSA-N 2 0 332.408 -0.353 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083781310 815598252 /nfs/dbraw/zinc/59/82/52/815598252.db2.gz BQJXMKIRVINJLH-IMJJTQAJSA-N 2 0 325.453 -0.084 20 0 EBADRP C[C@@H](F)CC[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001083851180 815649389 /nfs/dbraw/zinc/64/93/89/815649389.db2.gz QWCVZKMMXYBEQR-YUELXQCFSA-N 2 0 341.431 -0.032 20 0 EBADRP CCOCCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001270021809 815664484 /nfs/dbraw/zinc/66/44/84/815664484.db2.gz INVHLLSEKLNVHL-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CCCS(C)(=O)=O ZINC001270566828 815815006 /nfs/dbraw/zinc/81/50/06/815815006.db2.gz DEOCOWIWQBVGKE-CYBMUJFWSA-N 2 0 331.482 -0.141 20 0 EBADRP C[C@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001271013538 815957580 /nfs/dbraw/zinc/95/75/80/815957580.db2.gz PKBQSIYOYGVDGI-CHWSQXEVSA-N 2 0 339.440 -0.541 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001084831313 815991132 /nfs/dbraw/zinc/99/11/32/815991132.db2.gz GJAFECMWCZXHKU-RBSFLKMASA-N 2 0 335.452 -0.504 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941623 816004338 /nfs/dbraw/zinc/00/43/38/816004338.db2.gz UCZWZRHQBIFADY-OAGGEKHMSA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001085094259 816020740 /nfs/dbraw/zinc/02/07/40/816020740.db2.gz LUNQUGMQIIGHET-OAGGEKHMSA-N 2 0 325.453 -0.130 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001271423969 816102403 /nfs/dbraw/zinc/10/24/03/816102403.db2.gz AQJJUXITYGYDTJ-ZIAGYGMSSA-N 2 0 348.513 -0.296 20 0 EBADRP Cn1ncc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)n1 ZINC001086091817 816227165 /nfs/dbraw/zinc/22/71/65/816227165.db2.gz ORXPCIYOILJHQW-CLWVCHIJSA-N 2 0 348.451 -0.337 20 0 EBADRP Cn1ncnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001086091907 816228109 /nfs/dbraw/zinc/22/81/09/816228109.db2.gz RZSNBMSAMDOMBA-LXTVHRRPSA-N 2 0 348.451 -0.337 20 0 EBADRP CC[NH+]1CCN(CC(=O)N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)CC1 ZINC001271904394 816247184 /nfs/dbraw/zinc/24/71/84/816247184.db2.gz CFHLYDVFVHLLJU-IRXDYDNUSA-N 2 0 337.512 -0.139 20 0 EBADRP C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@H]4C[NH+]5CCC4CC5)CC3)[C@H]2C1 ZINC001271938558 816258885 /nfs/dbraw/zinc/25/88/85/816258885.db2.gz AQQYCHLETHSLTO-JYJNAYRXSA-N 2 0 346.475 -0.003 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001086177474 816260342 /nfs/dbraw/zinc/26/03/42/816260342.db2.gz VPZTVVFXOMCITQ-LXTVHRRPSA-N 2 0 338.452 -0.532 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1)C(N)=O ZINC001086221886 816272124 /nfs/dbraw/zinc/27/21/24/816272124.db2.gz PQBICCRVMPPCPE-SGMGOOAPSA-N 2 0 336.440 -0.584 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)nc1=O ZINC001086254047 816279972 /nfs/dbraw/zinc/27/99/72/816279972.db2.gz GRNCOABSLSEBKY-TXEJJXNPSA-N 2 0 334.424 -0.811 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001086327569 816297690 /nfs/dbraw/zinc/29/76/90/816297690.db2.gz JCMDDLQDYHSWAF-IHRRRGAJSA-N 2 0 348.451 -0.113 20 0 EBADRP Cn1ccc(C[NH2+]CCN(CCO)C(=O)[C@H]2CCC[N@@H+]2C)cc1=O ZINC001272129787 816321592 /nfs/dbraw/zinc/32/15/92/816321592.db2.gz PZGPKINIEOMAGF-OAHLLOKOSA-N 2 0 336.436 -0.610 20 0 EBADRP O=C(NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001086432567 816332543 /nfs/dbraw/zinc/33/25/43/816332543.db2.gz YTCDLSGPKLKELD-LNUIYOBLSA-N 2 0 348.447 -0.778 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001086456768 816344108 /nfs/dbraw/zinc/34/41/08/816344108.db2.gz VPZTVVFXOMCITQ-KBUPBQIOSA-N 2 0 338.452 -0.532 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001086478756 816350180 /nfs/dbraw/zinc/35/01/80/816350180.db2.gz YWFHZFYWNZRXAH-ZDEQEGDKSA-N 2 0 336.440 -0.710 20 0 EBADRP CCN(C)C(=O)C[NH2+]CCN(CCO)C(=O)C1CC[NH+](C)CC1 ZINC001272250914 816370428 /nfs/dbraw/zinc/37/04/28/816370428.db2.gz HFWIVWZNAIEIRE-UHFFFAOYSA-N 2 0 328.457 -0.783 20 0 EBADRP CN(C)C(=O)CN1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccnc(N)c1 ZINC001272303557 816391381 /nfs/dbraw/zinc/39/13/81/816391381.db2.gz AMBUEHOKUSSPKG-KBPBESRZSA-N 2 0 331.420 -0.030 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N(CCO)CC[NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001272307111 816392435 /nfs/dbraw/zinc/39/24/35/816392435.db2.gz LEVKMAWEXDIRAO-HUUCEWRRSA-N 2 0 340.468 -0.735 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001086875250 816413047 /nfs/dbraw/zinc/41/30/47/816413047.db2.gz LOHPUWKCKVGWBZ-SOUVJXGZSA-N 2 0 337.468 -0.162 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCNS(C)(=O)=O)C1 ZINC001272383677 816416843 /nfs/dbraw/zinc/41/68/43/816416843.db2.gz ITUIVHQUGAWQCE-ZIAGYGMSSA-N 2 0 346.497 -0.542 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]CCN2CCCC2=O)CC[N@@H+]1C ZINC001272424905 816426906 /nfs/dbraw/zinc/42/69/06/816426906.db2.gz DJLQHDLQXHCLRO-QLFBSQMISA-N 2 0 340.468 -0.594 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCN2CCCC2=O)CC[N@@H+]1C ZINC001272424906 816427552 /nfs/dbraw/zinc/42/75/52/816427552.db2.gz DJLQHDLQXHCLRO-SOUVJXGZSA-N 2 0 340.468 -0.594 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@@H](O)C[NH2+]CCN2CCCC2=O)CCC1 ZINC001272435532 816429390 /nfs/dbraw/zinc/42/93/90/816429390.db2.gz TYJBDSOQHJASAN-ZDUSSCGKSA-N 2 0 326.441 -0.840 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]CCO)cn1 ZINC001087005442 816443477 /nfs/dbraw/zinc/44/34/77/816443477.db2.gz CLEXETCSTOGMJK-VNQPRFMTSA-N 2 0 335.452 -0.362 20 0 EBADRP Cc1nc[nH]c1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]C[C@H](C)O)C1 ZINC001087007558 816443843 /nfs/dbraw/zinc/44/38/43/816443843.db2.gz JVGXKDHBWCZION-HZUKXOBISA-N 2 0 346.435 -0.041 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCn1ccnc1 ZINC001272566012 816478645 /nfs/dbraw/zinc/47/86/45/816478645.db2.gz VWOGQXJCCWCAQD-IXDOHACOSA-N 2 0 346.479 -0.196 20 0 EBADRP C[C@@H](CC[NH2+]CCN1CCNC1=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001272829228 816531273 /nfs/dbraw/zinc/53/12/73/816531273.db2.gz HISVZTTZLJIRJE-ZDUSSCGKSA-N 2 0 325.457 -0.020 20 0 EBADRP C[C@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001272832220 816532675 /nfs/dbraw/zinc/53/26/75/816532675.db2.gz YMNMNJQUKNFJJV-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](CC[NH2+]CCN(C)S(C)(=O)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001272993433 816565118 /nfs/dbraw/zinc/56/51/18/816565118.db2.gz IAWIJINRHZDGOH-CYBMUJFWSA-N 2 0 348.513 -0.296 20 0 EBADRP CC[C@@H](C(N)=O)N1C[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273029875 816570653 /nfs/dbraw/zinc/57/06/53/816570653.db2.gz GSFZUVZNQGGACQ-WMLDXEAASA-N 2 0 338.452 -0.447 20 0 EBADRP Cn1cnnc1CN1C(=O)COCC12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001273031190 816570773 /nfs/dbraw/zinc/57/07/73/816570773.db2.gz UHMLHHHIGHAVPA-UHFFFAOYSA-N 2 0 334.424 -0.772 20 0 EBADRP NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047017 816610266 /nfs/dbraw/zinc/61/02/66/816610266.db2.gz AEXZWTZHFILBRF-CBMUFDATSA-N 2 0 348.447 -0.885 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCCCC[C@H]([NH2+]CC(N)=O)C1 ZINC001088427615 816682131 /nfs/dbraw/zinc/68/21/31/816682131.db2.gz ZCZOMNRTOZVAGQ-CABCVRRESA-N 2 0 340.468 -0.199 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCN3CCNC3=O)[C@@H]2C)CC[N@@H+]1C ZINC001088578248 816706602 /nfs/dbraw/zinc/70/66/02/816706602.db2.gz OKUIXQQSXZKNRF-TUVASFSCSA-N 2 0 337.468 -0.069 20 0 EBADRP CC[C@H](C(N)=O)[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273705272 816734128 /nfs/dbraw/zinc/73/41/28/816734128.db2.gz XPOLLKXSQYAAQB-CJNGLKHVSA-N 2 0 326.441 -0.637 20 0 EBADRP C[NH+](C)CCN1CC[C@@]2(CCCN2CC(=O)N2CCOCC2)C1=O ZINC001273762151 816752372 /nfs/dbraw/zinc/75/23/72/816752372.db2.gz KSAYTEUQBUNYCP-KRWDZBQOSA-N 2 0 338.452 -0.526 20 0 EBADRP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](C[C@H]1COCCO1)C2 ZINC001273773615 816756307 /nfs/dbraw/zinc/75/63/07/816756307.db2.gz HQBNSJHVNHSIGL-DOTOQJQBSA-N 2 0 341.452 -0.486 20 0 EBADRP CCS(=O)(=O)CC[N@@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001273831273 816777802 /nfs/dbraw/zinc/77/78/02/816777802.db2.gz FRPWGBOHZPJJDL-HNNXBMFYSA-N 2 0 331.482 -0.093 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001089039336 816787560 /nfs/dbraw/zinc/78/75/60/816787560.db2.gz HPGXEKHPVNPHEQ-MCIONIFRSA-N 2 0 336.436 -0.334 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CCOCCO)C1 ZINC001273866561 816790359 /nfs/dbraw/zinc/79/03/59/816790359.db2.gz KGXPGMARTZQKPJ-HOCLYGCPSA-N 2 0 329.441 -0.967 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]C[C@@H](O)Cn2cccn2)CC[N@@H+]1C ZINC001274033989 816844918 /nfs/dbraw/zinc/84/49/18/816844918.db2.gz AXYYVKGJXKCKDO-ZESBSSJPSA-N 2 0 335.452 -0.154 20 0 EBADRP C[C@H](O)C[N@@H+]1CC[C@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001274046909 816846805 /nfs/dbraw/zinc/84/68/05/816846805.db2.gz JNBPQUPTMAGCOF-WMZOPIPTSA-N 2 0 338.496 -0.071 20 0 EBADRP C[C@H](O)C[N@@H+]1CC[C@@]2(CCN(CCCN3CC[NH+](C)CC3)C2=O)C1 ZINC001274046907 816847089 /nfs/dbraw/zinc/84/70/89/816847089.db2.gz JNBPQUPTMAGCOF-FUHWJXTLSA-N 2 0 338.496 -0.071 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001274251699 816909509 /nfs/dbraw/zinc/90/95/09/816909509.db2.gz QMBIVDHIVGZVIW-OLZOCXBDSA-N 2 0 339.440 -0.684 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)COC1CC[NH+](C)CC1 ZINC001274471528 816975267 /nfs/dbraw/zinc/97/52/67/816975267.db2.gz IAQNBOPCPLKLMN-DSYXLKISSA-N 2 0 326.441 -0.506 20 0 EBADRP COC(=O)[C@H](O)C[N@@H+]1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001274603771 817028757 /nfs/dbraw/zinc/02/87/57/817028757.db2.gz GXMBLKUYKBIBCW-CZUORRHYSA-N 2 0 327.425 -0.461 20 0 EBADRP COC(=O)[C@@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001274604019 817030917 /nfs/dbraw/zinc/03/09/17/817030917.db2.gz MRIRTAJLRDJPNG-STQMWFEESA-N 2 0 327.425 -0.700 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H](C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001275538480 817247665 /nfs/dbraw/zinc/24/76/65/817247665.db2.gz GMALLYCEBXEWRL-STQMWFEESA-N 2 0 346.497 -0.496 20 0 EBADRP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)CCN1C(=O)CNC1=O ZINC001275904704 817310262 /nfs/dbraw/zinc/31/02/62/817310262.db2.gz NBUDZYLEPNFDPF-STQMWFEESA-N 2 0 339.440 -0.541 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CC(=O)NC(=O)NC ZINC001276404154 817399491 /nfs/dbraw/zinc/39/94/91/817399491.db2.gz GTTPXWCVXAXOTQ-ZDUSSCGKSA-N 2 0 341.456 -0.246 20 0 EBADRP C[NH+](C)CCN1C[C@@H]2OCCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)[C@H]2C1 ZINC001276456987 817407456 /nfs/dbraw/zinc/40/74/56/817407456.db2.gz BSMZJLFMMROBKG-ULQDDVLXSA-N 2 0 336.480 -0.056 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001277924494 817656708 /nfs/dbraw/zinc/65/67/08/817656708.db2.gz JHYAGMXSXJYEMT-CYBMUJFWSA-N 2 0 339.440 -0.539 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2C[NH2+]CCNS(C)(=O)=O)C1 ZINC001277940287 817660299 /nfs/dbraw/zinc/66/02/99/817660299.db2.gz GYXMYGHCKJZBGB-UONOGXRCSA-N 2 0 346.497 -0.542 20 0 EBADRP C[NH+]1CCN(CCC[N@@H+]2C[C@@H]3OCCN(Cc4cn[nH]c4)[C@H]3C2)CC1 ZINC001278117591 817702908 /nfs/dbraw/zinc/70/29/08/817702908.db2.gz TXGQGLOHHGSBFV-ROUUACIJSA-N 2 0 348.495 -0.068 20 0 EBADRP Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](O)C2)cn1 ZINC001090730019 817705414 /nfs/dbraw/zinc/70/54/14/817705414.db2.gz DPRQLNFLTSATRN-HZPDHXFCSA-N 2 0 347.463 -0.390 20 0 EBADRP C[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001278416517 817758203 /nfs/dbraw/zinc/75/82/03/817758203.db2.gz NOFNRQCUCGLXRZ-STQMWFEESA-N 2 0 344.481 -0.790 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCN2CCCC2=O)CC[N@@H+]1C ZINC001278756599 817810622 /nfs/dbraw/zinc/81/06/22/817810622.db2.gz SEHPXVBHKQTUGI-QLFBSQMISA-N 2 0 340.468 -0.642 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)N2CCOCC2)C1 ZINC001090957053 817828175 /nfs/dbraw/zinc/82/81/75/817828175.db2.gz SYTOZADPFGPNSD-NRXISQOPSA-N 2 0 338.452 -0.576 20 0 EBADRP C[C@H]([NH2+]C1CC(CNC(=O)c2ccn(CC[NH+](C)C)n2)C1)C(N)=O ZINC001091032879 817844728 /nfs/dbraw/zinc/84/47/28/817844728.db2.gz NDNDBLBZUJRCCF-HIFPTAJRSA-N 2 0 336.440 -0.584 20 0 EBADRP CN(CCOCC[NH2+][C@@H]1CCNC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001279436349 817930666 /nfs/dbraw/zinc/93/06/66/817930666.db2.gz CZXFDDOVIAENOP-CQSZACIVSA-N 2 0 326.441 -0.719 20 0 EBADRP C[NH+]1CCC(C(=O)NCC2CC([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001091213640 817942281 /nfs/dbraw/zinc/94/22/81/817942281.db2.gz QYBLVJZGEVOLPW-UXUKBGGZSA-N 2 0 336.436 -0.382 20 0 EBADRP COCCOCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001279529507 817948380 /nfs/dbraw/zinc/94/83/80/817948380.db2.gz MXUXVHGJOVZBTQ-NVXWUHKLSA-N 2 0 343.468 -0.456 20 0 EBADRP O=C(NCC1CC([NH2+]CCN2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001091327263 817960743 /nfs/dbraw/zinc/96/07/43/817960743.db2.gz DNPNNCDCPUWHCR-UHFFFAOYSA-N 2 0 335.452 -0.408 20 0 EBADRP O=C(NC1(CO)CC[NH+](CCOCCO)CC1)C12CC[NH+](CC1)C2 ZINC001281820350 818286250 /nfs/dbraw/zinc/28/62/50/818286250.db2.gz CLODTJDHIXKVOK-UHFFFAOYSA-N 2 0 341.452 -0.966 20 0 EBADRP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)CCN1C(=O)CNC1=O ZINC001282412311 818408213 /nfs/dbraw/zinc/40/82/13/818408213.db2.gz NBUDZYLEPNFDPF-CHWSQXEVSA-N 2 0 339.440 -0.541 20 0 EBADRP COCCN1CC(N2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2=O)C1 ZINC001094807836 818497697 /nfs/dbraw/zinc/49/76/97/818497697.db2.gz GFISKHCWYURNPI-KBPBESRZSA-N 2 0 338.452 -0.624 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283278349 818734578 /nfs/dbraw/zinc/73/45/78/818734578.db2.gz LBIBEDWHJAJHEM-VXGBXAGGSA-N 2 0 327.429 -0.732 20 0 EBADRP C[N@H+](CCOCCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CCNC1=O ZINC001283421068 818805516 /nfs/dbraw/zinc/80/55/16/818805516.db2.gz FYOTUGBCOBUHIB-UONOGXRCSA-N 2 0 326.441 -0.719 20 0 EBADRP CN1CC[C@H]([NH2+]CCCOCCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1=O ZINC001283472997 818822707 /nfs/dbraw/zinc/82/27/07/818822707.db2.gz QYCXGVBTXXMDDX-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001097564267 819002259 /nfs/dbraw/zinc/00/22/59/819002259.db2.gz AQJIEGKMYCIYDY-UAEIHBMGSA-N 2 0 335.448 -0.047 20 0 EBADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)C12CC[NH+](CC1)C2 ZINC001098223645 819113225 /nfs/dbraw/zinc/11/32/25/819113225.db2.gz UVOUFUMGRSNFQE-KFWWJZLASA-N 2 0 347.463 -0.171 20 0 EBADRP O=C([C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC([NH+](CCO)CCO)CC1 ZINC001098373641 819156226 /nfs/dbraw/zinc/15/62/26/819156226.db2.gz JDRCPQWEUDTLNN-HOTGVXAUSA-N 2 0 341.452 -0.873 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CCC2=O)C1 ZINC001098398807 819169744 /nfs/dbraw/zinc/16/97/44/819169744.db2.gz MFUAWPXXZMPCFN-TUVASFSCSA-N 2 0 348.447 -0.191 20 0 EBADRP CNC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001098449970 819194019 /nfs/dbraw/zinc/19/40/19/819194019.db2.gz XNAXMAYKAGSPFJ-CQSZACIVSA-N 2 0 326.441 -0.888 20 0 EBADRP CNC(=O)C[N@H+](CCO)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001098477596 819207511 /nfs/dbraw/zinc/20/75/11/819207511.db2.gz BBLMZRQFBVGDTJ-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP CN(C[C@H](O)C[NH2+]CCN1CCCC1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001284416038 819220812 /nfs/dbraw/zinc/22/08/12/819220812.db2.gz KFVSPKSWROKOBP-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC([NH+](CCO)C[C@@H](O)COC)CC1 ZINC001098524325 819230297 /nfs/dbraw/zinc/23/02/97/819230297.db2.gz HRVQIXVHOXJXAQ-MRXNPFEDSA-N 2 0 345.484 -0.379 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC([NH+](CCO)CCCO)CC2)C1 ZINC001098533098 819234980 /nfs/dbraw/zinc/23/49/80/819234980.db2.gz SJIVNPZIIMQLHE-HNNXBMFYSA-N 2 0 327.469 -0.004 20 0 EBADRP O=C(N1CCC([N@@H+](CCO)CCCO)CC1)C12CC[NH+](CC1)C2 ZINC001098536244 819235502 /nfs/dbraw/zinc/23/55/02/819235502.db2.gz FUAZLBZTVQVKTR-UHFFFAOYSA-N 2 0 325.453 -0.250 20 0 EBADRP COC[C@@H](O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001098561262 819245626 /nfs/dbraw/zinc/24/56/26/819245626.db2.gz YWDOGAQQYBFZOH-ZBFHGGJFSA-N 2 0 343.468 -0.769 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098711484 819339800 /nfs/dbraw/zinc/33/98/00/819339800.db2.gz VMYGRUFBHUMUHZ-OAHLLOKOSA-N 2 0 338.456 -0.135 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](n2cc(C[NH2+]C[C@H](C)O)nn2)C1 ZINC001098773435 819361625 /nfs/dbraw/zinc/36/16/25/819361625.db2.gz BSRZXAUVNRGEJR-ZFWWWQNUSA-N 2 0 338.456 -0.136 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CCOCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001284869638 819381204 /nfs/dbraw/zinc/38/12/04/819381204.db2.gz YYHAXOMOGPRYGT-DZGCQCFKSA-N 2 0 340.468 -0.473 20 0 EBADRP COCCOCC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099872112 819808024 /nfs/dbraw/zinc/80/80/24/819808024.db2.gz PCNHFWLETMZHHC-CABCVRRESA-N 2 0 343.468 -0.315 20 0 EBADRP C[N@H+](CC(=O)N[C@H]1CC[NH+](CCn2cncn2)C[C@H]1O)C1CCC1 ZINC001099879491 819821878 /nfs/dbraw/zinc/82/18/78/819821878.db2.gz KTECJPLWABBVBA-LSDHHAIUSA-N 2 0 336.440 -0.686 20 0 EBADRP CC(C)(C(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@H]1O)[NH+]1CCCC1 ZINC001099942333 819952819 /nfs/dbraw/zinc/95/28/19/819952819.db2.gz PZFRIKFSUZFIKK-HUUCEWRRSA-N 2 0 343.468 -0.579 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001099973850 819978235 /nfs/dbraw/zinc/97/82/35/819978235.db2.gz JXJALLYTCUMLCS-GJZGRUSLSA-N 2 0 340.468 -0.498 20 0 EBADRP COCCOCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001099979679 819985667 /nfs/dbraw/zinc/98/56/67/819985667.db2.gz ZANQEXGKVZAKGI-HOTGVXAUSA-N 2 0 343.468 -0.457 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1CCN(CC(=O)NC(C)(C)C)C[C@@H]1O ZINC001099985276 819989141 /nfs/dbraw/zinc/98/91/41/819989141.db2.gz AKVPGZLYOCHOIB-OLZOCXBDSA-N 2 0 328.457 -0.596 20 0 EBADRP Cc1nc(C)n(CC[N@H+]2CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C2)n1 ZINC001099986431 819992566 /nfs/dbraw/zinc/99/25/66/819992566.db2.gz KNGDCVLKTHONGI-LSDHHAIUSA-N 2 0 338.456 -0.602 20 0 EBADRP C[N@H+](CCc1ccccc1)CC(=O)N[C@H]1CC[NH+](CCO)C[C@@H]1O ZINC001100013227 820040497 /nfs/dbraw/zinc/04/04/97/820040497.db2.gz JKEZIAYEPATLBT-IRXDYDNUSA-N 2 0 335.448 -0.295 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCN2CCCC2=O)C[C@@H]1O ZINC001100063647 820144958 /nfs/dbraw/zinc/14/49/58/820144958.db2.gz ASOJFQQADMNKKN-GJZGRUSLSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001100074179 820164270 /nfs/dbraw/zinc/16/42/70/820164270.db2.gz JYYBEYUEBUXSPX-HOTGVXAUSA-N 2 0 343.468 -0.457 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@H+](CC2CCOCC2)C[C@H]1O ZINC001100074181 820165012 /nfs/dbraw/zinc/16/50/12/820165012.db2.gz JYYBEYUEBUXSPX-JKSUJKDBSA-N 2 0 343.468 -0.457 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100319202 820356355 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ZINC001101036495 820661616 /nfs/dbraw/zinc/66/16/16/820661616.db2.gz RAJHXETZQUOWQL-UHFFFAOYSA-N 2 0 342.484 -0.036 20 0 EBADRP CC[C@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1)[NH+](C)C ZINC001101277473 820743991 /nfs/dbraw/zinc/74/39/91/820743991.db2.gz JBMJMKNUPPEESS-HSMVNMDESA-N 2 0 339.440 -0.698 20 0 EBADRP C[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102486929 821122954 /nfs/dbraw/zinc/12/29/54/821122954.db2.gz BWVRATHHTBKITB-HZSPNIEDSA-N 2 0 340.468 -0.345 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102525183 821138457 /nfs/dbraw/zinc/13/84/57/821138457.db2.gz PBYHHXNTZMRLTC-VXGBXAGGSA-N 2 0 327.429 -0.793 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102525812 821138582 /nfs/dbraw/zinc/13/85/82/821138582.db2.gz WHZFTTUTUVPKKE-JHJVBQTASA-N 2 0 341.456 -0.404 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102601046 821170393 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20 0 EBADRP CC(C)[C@@H](C)NC(=O)C[N@H+](C)CCCNC(=O)[C@@H]1CN(C)CCO1 ZINC001316819041 821865227 /nfs/dbraw/zinc/86/52/27/821865227.db2.gz DFXUYIDNDWULLL-CABCVRRESA-N 2 0 342.484 -0.084 20 0 EBADRP C[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)CC(=O)N1CCOCC1 ZINC001316845023 821884713 /nfs/dbraw/zinc/88/47/13/821884713.db2.gz ADDHVCWXHHFGCJ-UHFFFAOYSA-N 2 0 340.468 -0.375 20 0 EBADRP CN(C)C(=O)C[N@H+](C)CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001316860936 821895521 /nfs/dbraw/zinc/89/55/21/821895521.db2.gz SUOWYUZINJTKFA-UHFFFAOYSA-N 2 0 328.457 -0.377 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001317078919 821995800 /nfs/dbraw/zinc/99/58/00/821995800.db2.gz BSEIYJYNNJUKRT-AVGNSLFASA-N 2 0 334.486 -0.641 20 0 EBADRP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001317086843 821999765 /nfs/dbraw/zinc/99/97/65/821999765.db2.gz KBBQTLDPFDOVNC-YRGRVCCFSA-N 2 0 339.440 -0.639 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317245990 822046685 /nfs/dbraw/zinc/04/66/85/822046685.db2.gz KCKWZNFQGIBSFH-STQMWFEESA-N 2 0 334.486 -0.496 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCC[C@H](C(=O)NCC[NH2+]CCO)C2)CC1 ZINC001317292714 822069529 /nfs/dbraw/zinc/06/95/29/822069529.db2.gz MQQRRALBAMDDNW-HNNXBMFYSA-N 2 0 340.468 -0.735 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001317332416 822085805 /nfs/dbraw/zinc/08/58/05/822085805.db2.gz BRFWYYILEUMDRC-AWEZNQCLSA-N 2 0 325.457 -0.209 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CC(=O)NC2CCOCC2)CC[N@@H+]1C ZINC001317590176 822167785 /nfs/dbraw/zinc/16/77/85/822167785.db2.gz WVCPGCJJRGNOBV-UKRRQHHQSA-N 2 0 340.468 -0.330 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001317626208 822184294 /nfs/dbraw/zinc/18/42/94/822184294.db2.gz NINUGTJSFYJPAU-UHFFFAOYSA-N 2 0 329.445 -0.532 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CCN2C(=O)CNC2=O)C1 ZINC001317987563 822241344 /nfs/dbraw/zinc/24/13/44/822241344.db2.gz 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-0.372 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)C(=O)N(C)C ZINC001129364310 828605941 /nfs/dbraw/zinc/60/59/41/828605941.db2.gz RWAGRYSHKHQBDT-HIFRSBDPSA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]CC1CCS(=O)(=O)CC1)C1CC1 ZINC001129435561 828618282 /nfs/dbraw/zinc/61/82/82/828618282.db2.gz HKNNJNAWSMIFST-AWEZNQCLSA-N 2 0 331.482 -0.143 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129435809 828619353 /nfs/dbraw/zinc/61/93/53/828619353.db2.gz JHUOHUKJZSFBQA-JQWIXIFHSA-N 2 0 327.429 -0.733 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)C1CC1 ZINC001129444568 828619786 /nfs/dbraw/zinc/61/97/86/828619786.db2.gz VGSFNJQLRUJEQQ-CYBMUJFWSA-N 2 0 341.456 -0.343 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC001129437149 828620284 /nfs/dbraw/zinc/62/02/84/828620284.db2.gz VYTLTCMPVWUULP-TZMCWYRMSA-N 2 0 331.482 -0.143 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C[N@H+](C)C1CCC1)C(=O)NC(=O)NC1CC1 ZINC001129534890 828632126 /nfs/dbraw/zinc/63/21/26/828632126.db2.gz BXXLRQHPHAGPSC-NSHDSACASA-N 2 0 339.440 -0.447 20 0 EBADRP C[N@H+](CC(=O)NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1)C1CCC1 ZINC001129535579 828632356 /nfs/dbraw/zinc/63/23/56/828632356.db2.gz XHZIZMRMMIKFQV-JKSUJKDBSA-N 2 0 343.468 -0.267 20 0 EBADRP CCCC[NH+]1CC(N2C[C@H](NC(=O)COCC[NH+](C)C)CC2=O)C1 ZINC001108587724 824399314 /nfs/dbraw/zinc/39/93/14/824399314.db2.gz VPFVUNNEZIRORZ-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP COCCOC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673320 824582713 /nfs/dbraw/zinc/58/27/13/824582713.db2.gz IPAAZLSSQZEWQO-WCVJEAGWSA-N 2 0 343.468 -0.317 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129842109 828680243 /nfs/dbraw/zinc/68/02/43/828680243.db2.gz UCYNWCFGRDOKDO-AWEZNQCLSA-N 2 0 348.513 -0.152 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001129855461 828681307 /nfs/dbraw/zinc/68/13/07/828681307.db2.gz FCTMVJFWKHCORQ-CYBMUJFWSA-N 2 0 339.440 -0.445 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)C1CC1 ZINC001129892423 828689461 /nfs/dbraw/zinc/68/94/61/828689461.db2.gz WTYFNRZYZBSFDB-QLFBSQMISA-N 2 0 336.440 -0.658 20 0 EBADRP COCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129899600 828689981 /nfs/dbraw/zinc/68/99/81/828689981.db2.gz AOWDREZGDGJGAT-ILXRZTDVSA-N 2 0 338.456 -0.148 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001129858105 828682689 /nfs/dbraw/zinc/68/26/89/828682689.db2.gz PXRWIRDXTKEPAL-TUVASFSCSA-N 2 0 336.440 -0.658 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CC(=O)Nc1nncs1)[NH+](C)C ZINC001129947184 828698775 /nfs/dbraw/zinc/69/87/75/828698775.db2.gz NHEPWTNVJHPXFM-NSHDSACASA-N 2 0 328.442 -0.231 20 0 EBADRP COCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001130007582 828713906 /nfs/dbraw/zinc/71/39/06/828713906.db2.gz LWNJQHKVAQXASU-ZNMIVQPWSA-N 2 0 336.440 -0.250 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130011944 828714653 /nfs/dbraw/zinc/71/46/53/828714653.db2.gz GFQZTVVIIOAGJQ-ZNMIVQPWSA-N 2 0 336.440 -0.514 20 0 EBADRP CCOCC[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001130047556 828722030 /nfs/dbraw/zinc/72/20/30/828722030.db2.gz GTMHYTOKWWMSKY-CABCVRRESA-N 2 0 338.456 -0.002 20 0 EBADRP C[NH+](C)CCOCC(=O)N1C[C@@H]([NH2+]CC2CC2)[C@@H](n2ccnn2)C1 ZINC001130086263 828730568 /nfs/dbraw/zinc/73/05/68/828730568.db2.gz SUMDIVXJBZQZSW-CABCVRRESA-N 2 0 336.440 -0.392 20 0 EBADRP CCOCC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1 ZINC001130091314 828731231 /nfs/dbraw/zinc/73/12/31/828731231.db2.gz LCUITZTVONKGGN-CABCVRRESA-N 2 0 348.451 -0.248 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001179580624 832990989 /nfs/dbraw/zinc/99/09/89/832990989.db2.gz KHFHNAYNAHXGJR-CYBMUJFWSA-N 2 0 341.456 -0.068 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130186476 828751211 /nfs/dbraw/zinc/75/12/11/828751211.db2.gz HMKSCBYGKJMQSB-CABCVRRESA-N 2 0 340.468 -0.138 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130189600 828752127 /nfs/dbraw/zinc/75/21/27/828752127.db2.gz QJAUYVPHABOCHE-HOTGVXAUSA-N 2 0 340.468 -0.138 20 0 EBADRP CN1CCC[C@@H]([NH2+]CCNC(=O)C(C)(C)C[NH+]2CCOCC2)C1=O ZINC001130231740 828761280 /nfs/dbraw/zinc/76/12/80/828761280.db2.gz FHUCCYWEWOPQBO-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001130232073 828762781 /nfs/dbraw/zinc/76/27/81/828762781.db2.gz PKLRYMGASKUXRP-UHFFFAOYSA-N 2 0 340.468 -0.327 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2 ZINC001111938189 825349432 /nfs/dbraw/zinc/34/94/32/825349432.db2.gz OYLFWGQJMHVULF-ZQIUZPCESA-N 2 0 338.452 -0.576 20 0 EBADRP C[NH+](C)CCOCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCO)C1 ZINC001112194007 825400716 /nfs/dbraw/zinc/40/07/16/825400716.db2.gz HWJDHANMYVWGRR-VXGBXAGGSA-N 2 0 341.374 -0.074 20 0 EBADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112194351 825400941 /nfs/dbraw/zinc/40/09/41/825400941.db2.gz ZZTSHSYFNABCGF-IJLUTSLNSA-N 2 0 341.374 -0.076 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130305862 828778370 /nfs/dbraw/zinc/77/83/70/828778370.db2.gz NCIRZRWKOWDXAW-ZIAGYGMSSA-N 2 0 328.457 -0.282 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCCNCc1nc(CC(=O)NC)no1 ZINC001130427912 828832432 /nfs/dbraw/zinc/83/24/32/828832432.db2.gz UTWVWTWLHXOAPB-UHFFFAOYSA-N 2 0 340.428 -0.706 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001179799766 833011557 /nfs/dbraw/zinc/01/15/57/833011557.db2.gz UDSBFBWHZQANIL-IPYPFGDCSA-N 2 0 340.468 -0.189 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001179852351 833017911 /nfs/dbraw/zinc/01/79/11/833017911.db2.gz LCHNPENENSLPIH-WOPDTQHZSA-N 2 0 327.429 -0.509 20 0 EBADRP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]21)[NH+](C)C ZINC001114463159 826256495 /nfs/dbraw/zinc/25/64/95/826256495.db2.gz FRIBWMGEWIOTKX-IATRGZMQSA-N 2 0 336.436 -0.478 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCCCCCC[NH2+]CC(N)=O)CC1 ZINC001179933769 833028108 /nfs/dbraw/zinc/02/81/08/833028108.db2.gz ZXDAWPWRRFSWNT-UHFFFAOYSA-N 2 0 328.457 -0.151 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCCCCC[NH2+][C@H]1CCNC1=O ZINC001180060854 833038684 /nfs/dbraw/zinc/03/86/84/833038684.db2.gz RIFNUUOXLXFQNG-AWEZNQCLSA-N 2 0 328.457 -0.281 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3CN(CCCS(C)(=O)=O)C[C@H]32)CC1 ZINC001114741200 826331019 /nfs/dbraw/zinc/33/10/19/826331019.db2.gz KIBNKRPSIWVSJZ-WDNDVIMCSA-N 2 0 343.493 -0.191 20 0 EBADRP CN1CCC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001114745905 826331251 /nfs/dbraw/zinc/33/12/51/826331251.db2.gz IGCWTHALMNWRTJ-LJISPDSOSA-N 2 0 334.464 -0.005 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC001114746705 826331935 /nfs/dbraw/zinc/33/19/35/826331935.db2.gz XYFBFJUKHPTDBM-CZXHOFHRSA-N 2 0 334.420 -0.820 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180138905 833046310 /nfs/dbraw/zinc/04/63/10/833046310.db2.gz QRAFCBRFWLTFHW-IHRRRGAJSA-N 2 0 346.497 -0.544 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCCS(C)(=O)=O)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001180138942 833046719 /nfs/dbraw/zinc/04/67/19/833046719.db2.gz SAFLKYRLUXGNOY-MJBXVCDLSA-N 2 0 331.482 -0.048 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnn(C)c3)C[C@H]21 ZINC001115245350 826470282 /nfs/dbraw/zinc/47/02/82/826470282.db2.gz POCGCJVJQPLXRA-QMCVQRASSA-N 2 0 347.463 -0.065 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001180226690 833059937 /nfs/dbraw/zinc/05/99/37/833059937.db2.gz GXHKWZVXFQYRCK-SRVKXCTJSA-N 2 0 327.429 -0.511 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001117315398 826717027 /nfs/dbraw/zinc/71/70/27/826717027.db2.gz YYCVEBLEFSPEJV-KFWWJZLASA-N 2 0 339.484 -0.663 20 0 EBADRP C[NH+](C)C[C@@H]1COCCN1C(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180610558 833095885 /nfs/dbraw/zinc/09/58/85/833095885.db2.gz LFONVPIHROIBBK-CQSZACIVSA-N 2 0 326.441 -0.637 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001117920728 826824512 /nfs/dbraw/zinc/82/45/12/826824512.db2.gz KAUAISXNSVANGY-CQSZACIVSA-N 2 0 328.457 -0.567 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001118264698 826893016 /nfs/dbraw/zinc/89/30/16/826893016.db2.gz FRFJXEQLOSNVRY-ZFWWWQNUSA-N 2 0 340.468 -0.188 20 0 EBADRP [NH3+]C1(CNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CCOCC1 ZINC001118913531 827024298 /nfs/dbraw/zinc/02/42/98/827024298.db2.gz AJFKQVFUUIFXMN-UHFFFAOYSA-N 2 0 344.375 -0.170 20 0 EBADRP CC(=O)N(C(=O)C(=O)N1CC[C@@H]([NH3+])C1)c1cccc2c1C[NH2+]CC2 ZINC001118973303 827038925 /nfs/dbraw/zinc/03/89/25/827038925.db2.gz DTAFOVJVFGPQBR-CYBMUJFWSA-N 2 0 330.388 -0.229 20 0 EBADRP C[NH+](C)C1CCN(CC[NH2+]C[C@H](O)CC2(O)CCOCC2)CC1 ZINC001119067713 827055366 /nfs/dbraw/zinc/05/53/66/827055366.db2.gz MSBPPIOTWTWECA-MRXNPFEDSA-N 2 0 329.485 -0.106 20 0 EBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001119365653 827102731 /nfs/dbraw/zinc/10/27/31/827102731.db2.gz UNVCMKNRIHIIOD-ZIAGYGMSSA-N 2 0 339.484 -0.533 20 0 EBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001119427655 827108403 /nfs/dbraw/zinc/10/84/03/827108403.db2.gz SQVWZIGZAQLJKM-MGPQQGTHSA-N 2 0 338.452 -0.448 20 0 EBADRP C[NH+]1CCC(NC(=O)CN2CC[NH+](CCCCCO)CC2)CC1 ZINC001119904033 827158935 /nfs/dbraw/zinc/15/89/35/827158935.db2.gz LZGBKEWFKWFQAD-UHFFFAOYSA-N 2 0 326.485 -0.023 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001120420326 827215854 /nfs/dbraw/zinc/21/58/54/827215854.db2.gz JOWBLWPFLVUYIE-IHRRRGAJSA-N 2 0 326.441 -0.578 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001120448521 827225571 /nfs/dbraw/zinc/22/55/71/827225571.db2.gz BITIEHICOQMOQH-HUUCEWRRSA-N 2 0 340.468 -0.247 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001181651300 833170425 /nfs/dbraw/zinc/17/04/25/833170425.db2.gz AKOICZJVZVVFGP-HUUCEWRRSA-N 2 0 338.452 -0.434 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2cnccn2)C1 ZINC001181652078 833170697 /nfs/dbraw/zinc/17/06/97/833170697.db2.gz IJJHIPRLRICWGX-OLZOCXBDSA-N 2 0 332.408 -0.300 20 0 EBADRP C[NH+](C)C1(CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CCOCC1 ZINC001121924125 827482360 /nfs/dbraw/zinc/48/23/60/827482360.db2.gz XZBBDKLVMWJVOU-CYBMUJFWSA-N 2 0 326.441 -0.589 20 0 EBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1=O ZINC001121925590 827482995 /nfs/dbraw/zinc/48/29/95/827482995.db2.gz CAEXNNHLHHALSL-GJZGRUSLSA-N 2 0 338.452 -0.636 20 0 EBADRP CC[N@H+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CC(=O)NC(N)=O)C2 ZINC001122022815 827505804 /nfs/dbraw/zinc/50/58/04/827505804.db2.gz JTZCIUPQRMHIEJ-UHFFFAOYSA-N 2 0 339.440 -0.460 20 0 EBADRP COC[C@H](O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001122178138 827537914 /nfs/dbraw/zinc/53/79/14/827537914.db2.gz WRJSQETZLGLECL-BSTUBKLYSA-N 2 0 325.453 -0.038 20 0 EBADRP O=C(Cn1ncnn1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001123543949 827715159 /nfs/dbraw/zinc/71/51/59/827715159.db2.gz IYZSOIBWYZXESN-UHFFFAOYSA-N 2 0 330.396 -0.603 20 0 EBADRP CC(C)(C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+]1CCCCC1 ZINC001182589354 833246620 /nfs/dbraw/zinc/24/66/20/833246620.db2.gz FDGKKYADYGWAEG-GFCCVEGCSA-N 2 0 339.440 -0.364 20 0 EBADRP Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)[C@@H]3CCC[N@@H+]3C)C2=O)n1 ZINC001124866379 827970085 /nfs/dbraw/zinc/97/00/85/827970085.db2.gz BHRBNKYVOFMQHJ-STQMWFEESA-N 2 0 334.424 -0.675 20 0 EBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001183240389 833284265 /nfs/dbraw/zinc/28/42/65/833284265.db2.gz CFKZWRGLJUYQTK-QWHCGFSZSA-N 2 0 339.440 -0.650 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001183266903 833284948 /nfs/dbraw/zinc/28/49/48/833284948.db2.gz HQXGEJINHAGEIG-GDBMZVCRSA-N 2 0 340.468 -0.330 20 0 EBADRP CN(CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1)S(C)(=O)=O ZINC001183288395 833285528 /nfs/dbraw/zinc/28/55/28/833285528.db2.gz FPSXFBFGHCQTIY-CYBMUJFWSA-N 2 0 346.497 -0.447 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1)C(=O)NC(N)=O ZINC001183288704 833285922 /nfs/dbraw/zinc/28/59/22/833285922.db2.gz LBNHXJUDMUGXOP-WDEREUQCSA-N 2 0 325.413 -0.755 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001183760412 833304846 /nfs/dbraw/zinc/30/48/46/833304846.db2.gz YSZWCTHYXIEIRF-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001183764499 833305551 /nfs/dbraw/zinc/30/55/51/833305551.db2.gz ARWKZJJIOMYDIB-GFCCVEGCSA-N 2 0 339.440 -0.541 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001127065722 828246665 /nfs/dbraw/zinc/24/66/65/828246665.db2.gz DKIZWMGIUBGJAA-CQSZACIVSA-N 2 0 326.441 -0.576 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001127065581 828246969 /nfs/dbraw/zinc/24/69/69/828246969.db2.gz BPUOITKIHPQMGJ-CQSZACIVSA-N 2 0 346.497 -0.400 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001127066454 828247218 /nfs/dbraw/zinc/24/72/18/828247218.db2.gz OVGCWXXCDWQANK-LSDHHAIUSA-N 2 0 340.468 -0.452 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001127082547 828249371 /nfs/dbraw/zinc/24/93/71/828249371.db2.gz UKLQJLOUEVKQAZ-LSDHHAIUSA-N 2 0 340.468 -0.188 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127255708 828269335 /nfs/dbraw/zinc/26/93/35/828269335.db2.gz KYNYDDFNFIAJBS-HUUCEWRRSA-N 2 0 340.468 -0.281 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127256647 828269650 /nfs/dbraw/zinc/26/96/50/828269650.db2.gz QIOQWBULAUKQJR-CABCVRRESA-N 2 0 340.468 -0.281 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127256113 828270143 /nfs/dbraw/zinc/27/01/43/828270143.db2.gz MJRLMJQLUFDTNP-ZIAGYGMSSA-N 2 0 346.497 -0.494 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127339082 828280999 /nfs/dbraw/zinc/28/09/99/828280999.db2.gz PXIDPUULAAOPBO-LBPRGKRZSA-N 2 0 339.440 -0.458 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)on1 ZINC001127474167 828296864 /nfs/dbraw/zinc/29/68/64/828296864.db2.gz HZXNOGUSLFEYIJ-CYBMUJFWSA-N 2 0 335.408 -0.031 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127480517 828297867 /nfs/dbraw/zinc/29/78/67/828297867.db2.gz KNRXNOHCMRITPJ-LSDHHAIUSA-N 2 0 329.441 -0.942 20 0 EBADRP O=C(NCC[NH2+]CCN1CCCS1(=O)=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127481897 828298163 /nfs/dbraw/zinc/29/81/63/828298163.db2.gz YMZAEMXEPUFSLY-CQSZACIVSA-N 2 0 344.481 -0.931 20 0 EBADRP O=C(NCC[NH2+]C[C@H]1CCS(=O)(=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001127480854 828298203 /nfs/dbraw/zinc/29/82/03/828298203.db2.gz NHCQGEWLBGOQNC-TZMCWYRMSA-N 2 0 329.466 -0.531 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F)CC[N@@H+]1C ZINC001127637912 828307911 /nfs/dbraw/zinc/30/79/11/828307911.db2.gz CEEXRASMHBKXDE-IJLUTSLNSA-N 2 0 341.374 -0.028 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)CC[N@@H+]1C ZINC001127701104 828316127 /nfs/dbraw/zinc/31/61/27/828316127.db2.gz ITELQAQILVOBBV-UONOGXRCSA-N 2 0 346.497 -0.542 20 0 EBADRP O=C(NCC[NH2+]CCCN1CCCC1=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127766350 828322299 /nfs/dbraw/zinc/32/22/99/828322299.db2.gz VFKRDSWHSYVRQY-LSDHHAIUSA-N 2 0 338.452 -0.432 20 0 EBADRP Cn1ccc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1=O ZINC001127778028 828325058 /nfs/dbraw/zinc/32/50/58/828325058.db2.gz CFQWJXLFTFMSOT-CABCVRRESA-N 2 0 334.420 -0.546 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779958 828327144 /nfs/dbraw/zinc/32/71/44/828327144.db2.gz UKRXOLQIRQHXRW-ZIAGYGMSSA-N 2 0 326.441 -0.578 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)NC1CCCC1 ZINC001127778854 828328818 /nfs/dbraw/zinc/32/88/18/828328818.db2.gz GYFOAGRUXVURMZ-LSDHHAIUSA-N 2 0 338.452 -0.386 20 0 EBADRP CC(C)NC(=O)NCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127785092 828329615 /nfs/dbraw/zinc/32/96/15/828329615.db2.gz FPZSNVBDJPMJSC-ZIAGYGMSSA-N 2 0 341.456 -0.737 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)CCN(C)c1cc[nH+]cc1)C(=O)NC(N)=O ZINC001130558901 828884472 /nfs/dbraw/zinc/88/44/72/828884472.db2.gz UOUVZZKOVQZPBR-LLVKDONJSA-N 2 0 336.396 -0.803 20 0 EBADRP CN(CC(=O)N(CCCC[NH3+])C(N)=[NH2+])S(=O)(=O)c1ccccc1 ZINC001184413389 833329240 /nfs/dbraw/zinc/32/92/40/833329240.db2.gz SUNYMTUGCYODRM-UHFFFAOYSA-N 2 0 341.437 -0.232 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001130658921 828908318 /nfs/dbraw/zinc/90/83/18/828908318.db2.gz WNYHHWXNSZDFNZ-JTQLQIEISA-N 2 0 346.391 -0.194 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001130658922 828908552 /nfs/dbraw/zinc/90/85/52/828908552.db2.gz WNYHHWXNSZDFNZ-SNVBAGLBSA-N 2 0 346.391 -0.194 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001130713050 828920513 /nfs/dbraw/zinc/92/05/13/828920513.db2.gz AGIKNLKARNJBFC-INIZCTEOSA-N 2 0 342.484 -0.035 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001130713427 828920607 /nfs/dbraw/zinc/92/06/07/828920607.db2.gz NPXQWGBVWNKWJG-CYBMUJFWSA-N 2 0 339.440 -0.636 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001130711123 828921031 /nfs/dbraw/zinc/92/10/31/828921031.db2.gz OBUMXERXGUIAQG-CQSZACIVSA-N 2 0 348.513 -0.296 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2[NH2+]CCCO)c1 ZINC001130728987 828923864 /nfs/dbraw/zinc/92/38/64/828923864.db2.gz QYWKKFBCPGISBU-GOEBONIOSA-N 2 0 335.452 -0.218 20 0 EBADRP O=C(C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2)NC[C@H]1CCOC1 ZINC001130810281 828945348 /nfs/dbraw/zinc/94/53/48/828945348.db2.gz PDDTWSZNSSMGML-CQSZACIVSA-N 2 0 338.452 -0.527 20 0 EBADRP C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185028812 833345382 /nfs/dbraw/zinc/34/53/82/833345382.db2.gz FKYMCOABHWBGTR-QWHCGFSZSA-N 2 0 341.456 -0.403 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185265361 833353200 /nfs/dbraw/zinc/35/32/00/833353200.db2.gz QOWGSBDUXKELQD-OAHLLOKOSA-N 2 0 328.457 -0.329 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001185350127 833356860 /nfs/dbraw/zinc/35/68/60/833356860.db2.gz ZMZBRIBNWLNZNI-STQMWFEESA-N 2 0 341.456 -0.403 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185385210 833357212 /nfs/dbraw/zinc/35/72/12/833357212.db2.gz MNJBOHFZFZEOMC-CQSZACIVSA-N 2 0 346.497 -0.542 20 0 EBADRP Cn1cc(N2CC[C@H]([NH2+][C@@H]3CCN(C(=O)CC[NH+](C)C)C3)C2=O)cn1 ZINC001185416420 833358390 /nfs/dbraw/zinc/35/83/90/833358390.db2.gz VGRIEFNEIMWCLN-HIFRSBDPSA-N 2 0 348.451 -0.332 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001185416382 833358406 /nfs/dbraw/zinc/35/84/06/833358406.db2.gz URFZLEPCXANSMS-GFCCVEGCSA-N 2 0 325.413 -0.930 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185446928 833358946 /nfs/dbraw/zinc/35/89/46/833358946.db2.gz VBNILTYLRZKHNE-HZPDHXFCSA-N 2 0 342.484 -0.084 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)CC[C@H]1C[NH2+]CC(=O)N(C)C ZINC001185502073 833360504 /nfs/dbraw/zinc/36/05/04/833360504.db2.gz LBPNDNUPQBATCK-CABCVRRESA-N 2 0 342.484 -0.273 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131370796 829116847 /nfs/dbraw/zinc/11/68/47/829116847.db2.gz VCSUSHIGOWFVHQ-UHFFFAOYSA-N 2 0 333.392 -0.194 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+](CC)CC ZINC001185610149 833363121 /nfs/dbraw/zinc/36/31/21/833363121.db2.gz SECODRRPGJKURV-NEPJUHHUSA-N 2 0 327.429 -0.508 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001185650763 833365089 /nfs/dbraw/zinc/36/50/89/833365089.db2.gz MCMDVVUMAHMHBU-NWDGAFQWSA-N 2 0 325.413 -0.883 20 0 EBADRP O=C(NCC[NH2+]CCO[C@@H]1CC1(F)F)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131522273 829153671 /nfs/dbraw/zinc/15/36/71/829153671.db2.gz ZTKZEWAZRWZZEK-DNCHLWJUSA-N 2 0 345.390 -0.020 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C(=O)NC1CC1 ZINC001131521865 829154847 /nfs/dbraw/zinc/15/48/47/829154847.db2.gz JZJHGIVAIXROSG-PWXAKJEPSA-N 2 0 336.436 -0.778 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C(=O)NC(N)=O ZINC001131790315 829217836 /nfs/dbraw/zinc/21/78/36/829217836.db2.gz LHGABWCPBCXDAS-CMPLNLGQSA-N 2 0 325.413 -0.850 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)NC(N)=O ZINC001131799079 829224072 /nfs/dbraw/zinc/22/40/72/829224072.db2.gz HBBDACJHPJZBDX-GFCCVEGCSA-N 2 0 341.456 -0.212 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131844223 829244058 /nfs/dbraw/zinc/24/40/58/829244058.db2.gz DGFFDJJZHBTPQW-GFCCVEGCSA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1)C(=O)NC(N)=O ZINC001131845300 829245287 /nfs/dbraw/zinc/24/52/87/829245287.db2.gz WHEIUYLEODZJHD-NSHDSACASA-N 2 0 327.429 -0.460 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001186000378 833382861 /nfs/dbraw/zinc/38/28/61/833382861.db2.gz NHEVUQFSILQBRS-HNNXBMFYSA-N 2 0 338.456 -0.135 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC([C@H]2C[C@@H]([NH2+]CC(N)=O)CCO2)CC1 ZINC001186094015 833388270 /nfs/dbraw/zinc/38/82/70/833388270.db2.gz GSIUAEMKAKVXBY-LSDHHAIUSA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC([C@@H]2C[C@H]([NH2+]CC(N)=O)CCO2)CC1 ZINC001186094012 833388576 /nfs/dbraw/zinc/38/85/76/833388576.db2.gz GSIUAEMKAKVXBY-CABCVRRESA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH2+]CC(N)=O)CC1 ZINC001186147918 833390813 /nfs/dbraw/zinc/39/08/13/833390813.db2.gz VRTKMUXARCWGRJ-YOEHRIQHSA-N 2 0 340.468 -0.201 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132280194 829405776 /nfs/dbraw/zinc/40/57/76/829405776.db2.gz BFHWRVMRBPAWHQ-UHFFFAOYSA-N 2 0 328.457 -0.281 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H](C[NH2+]CC(N)=O)C3(C2)CCOCC3)C1 ZINC001186552696 833405741 /nfs/dbraw/zinc/40/57/41/833405741.db2.gz KGSRQBLWBGXWFL-KBPBESRZSA-N 2 0 338.452 -0.732 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+]CCOCCNC(C)=O)C1 ZINC001132737818 829511599 /nfs/dbraw/zinc/51/15/99/829511599.db2.gz QXMZFKYBPJILLD-MRXNPFEDSA-N 2 0 342.484 -0.033 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COCCOC)C1 ZINC001132738358 829512500 /nfs/dbraw/zinc/51/25/00/829512500.db2.gz ZTKHYPRDCRAERB-HZPDHXFCSA-N 2 0 345.484 -0.162 20 0 EBADRP CC(C)NC(=O)NCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848882 829534446 /nfs/dbraw/zinc/53/44/46/829534446.db2.gz VJNHUHLHCOYJGY-CQSZACIVSA-N 2 0 343.472 -0.491 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001132852122 829536684 /nfs/dbraw/zinc/53/66/84/829536684.db2.gz IAXFRJAQULSZCH-GXTWGEPZSA-N 2 0 326.441 -0.532 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001132853356 829538007 /nfs/dbraw/zinc/53/80/07/829538007.db2.gz ZTOUHPSWLUEQEN-HUUCEWRRSA-N 2 0 339.440 -0.941 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2ccon2)C1 ZINC001132853126 829538195 /nfs/dbraw/zinc/53/81/95/829538195.db2.gz XASHTKSKJCEDMU-GFCCVEGCSA-N 2 0 339.396 -0.572 20 0 EBADRP CC(C)[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132859111 829539410 /nfs/dbraw/zinc/53/94/10/829539410.db2.gz WMCWMFDMOMBRDV-GJZGRUSLSA-N 2 0 342.484 -0.038 20 0 EBADRP CN(CC[NH2+]CCNC(=O)c1occc1C[NH+](C)C)S(C)(=O)=O ZINC001132983862 829566514 /nfs/dbraw/zinc/56/65/14/829566514.db2.gz NOPNMWSSGBCZPR-UHFFFAOYSA-N 2 0 346.453 -0.448 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132983832 829566901 /nfs/dbraw/zinc/56/69/01/829566901.db2.gz MLHASQAGXHARGM-UHFFFAOYSA-N 2 0 340.424 -0.187 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CC(=O)Nc2nncs2)CC1 ZINC001132992521 829567576 /nfs/dbraw/zinc/56/75/76/829567576.db2.gz AHJHYFNMDFVGJB-UHFFFAOYSA-N 2 0 326.426 -0.476 20 0 EBADRP C[NH+](C)CCCC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC001133040134 829577556 /nfs/dbraw/zinc/57/75/56/829577556.db2.gz CFJIAQXXLNITDO-UHFFFAOYSA-N 2 0 341.456 -0.198 20 0 EBADRP C[NH+](C)CCCC(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001133051212 829577842 /nfs/dbraw/zinc/57/78/42/829577842.db2.gz AYLSJYHHYKZAAZ-AWEZNQCLSA-N 2 0 331.457 -0.410 20 0 EBADRP C[NH+](C)CCCC(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001133042581 829578041 /nfs/dbraw/zinc/57/80/41/829578041.db2.gz JNXYSQKXFYFMCU-ZDUSSCGKSA-N 2 0 334.486 -0.685 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCCO1 ZINC001133286151 829616133 /nfs/dbraw/zinc/61/61/33/829616133.db2.gz ZOPIAFIOMVYJPD-ZFWWWQNUSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)Nc2nncs2)CC1 ZINC001133287023 829616286 /nfs/dbraw/zinc/61/62/86/829616286.db2.gz CLAHKHUXUSSWJG-UHFFFAOYSA-N 2 0 326.426 -0.476 20 0 EBADRP CNC(=O)c1ccc(NC(=O)C[NH2+]CCNC(=O)CC[NH+](C)C)cc1 ZINC001133297944 829617880 /nfs/dbraw/zinc/61/78/80/829617880.db2.gz UETHAEFJLAOYCU-UHFFFAOYSA-N 2 0 349.435 -0.358 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001186824745 833431440 /nfs/dbraw/zinc/43/14/40/833431440.db2.gz JZJVHYIQUSJABW-CABCVRRESA-N 2 0 340.468 -0.498 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133415639 829630411 /nfs/dbraw/zinc/63/04/11/829630411.db2.gz IKORWHDQTGYGOE-CYBMUJFWSA-N 2 0 336.502 -0.392 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)NCCCOC)[NH+](CC)CC ZINC001133684307 829661180 /nfs/dbraw/zinc/66/11/80/829661180.db2.gz GPFJCOCQWBQZKC-AWEZNQCLSA-N 2 0 330.473 -0.035 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)[NH+](CC)CC ZINC001133683906 829661312 /nfs/dbraw/zinc/66/13/12/829661312.db2.gz AOXQXSFHFIAIMX-CYBMUJFWSA-N 2 0 336.502 -0.296 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1)[NH+](CC)CC ZINC001133685537 829662184 /nfs/dbraw/zinc/66/21/84/829662184.db2.gz VMRABPWGQCWEKU-ZDUSSCGKSA-N 2 0 341.456 -0.199 20 0 EBADRP COCCS(=O)(=O)CCC[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133823784 829679323 /nfs/dbraw/zinc/67/93/23/829679323.db2.gz ONPAHACQAUFZAB-AWEZNQCLSA-N 2 0 349.497 -0.372 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001133823586 829679886 /nfs/dbraw/zinc/67/98/86/829679886.db2.gz JWBGOAIKTZKOPJ-UONOGXRCSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001133823585 829679920 /nfs/dbraw/zinc/67/99/20/829679920.db2.gz JWBGOAIKTZKOPJ-KGLIPLIRSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C)C(=O)NC(=O)NC1CC1 ZINC001133834239 829681153 /nfs/dbraw/zinc/68/11/53/829681153.db2.gz RSVMWEZMTRKLNM-VXGBXAGGSA-N 2 0 339.440 -0.447 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133834244 829681344 /nfs/dbraw/zinc/68/13/44/829681344.db2.gz RZBXFXBGUHUPJA-KGLIPLIRSA-N 2 0 328.457 -0.282 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133845925 829684779 /nfs/dbraw/zinc/68/47/79/829684779.db2.gz QCODZWWFWRYILD-ZDUSSCGKSA-N 2 0 341.456 -0.484 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001133845523 829685522 /nfs/dbraw/zinc/68/55/22/829685522.db2.gz IAKOBJAKCREVQX-KGLIPLIRSA-N 2 0 331.482 -0.141 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)NCc2cccnc2)C1 ZINC001133853045 829686234 /nfs/dbraw/zinc/68/62/34/829686234.db2.gz AYDPBGKKMLXXFI-CQSZACIVSA-N 2 0 333.436 -0.255 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCc1nnnn1CC(F)(F)F ZINC001133861997 829688560 /nfs/dbraw/zinc/68/85/60/829688560.db2.gz AEOICLCHXSJZEE-VHSXEESVSA-N 2 0 349.361 -0.361 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCNC(=O)NC(C)(C)C ZINC001133869887 829691568 /nfs/dbraw/zinc/69/15/68/829691568.db2.gz NFXMXTXPYQGVEK-OLZOCXBDSA-N 2 0 327.473 -0.012 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133894229 829694802 /nfs/dbraw/zinc/69/48/02/829694802.db2.gz YPPQLZJYBMHFMN-UHFFFAOYSA-N 2 0 328.457 -0.423 20 0 EBADRP C[N@H+](CC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1)CC(C)(C)C ZINC001133908314 829697347 /nfs/dbraw/zinc/69/73/47/829697347.db2.gz MHRBMSFVGLBZIH-CQSZACIVSA-N 2 0 342.484 -0.177 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCOC[C@H]1C1CC1)[NH+](C)C ZINC001133962371 829706995 /nfs/dbraw/zinc/70/69/95/829706995.db2.gz GRJOIYAEWLWTTB-GJZGRUSLSA-N 2 0 340.468 -0.330 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+]CCCS(=O)(=O)CCOC)[NH+](C)C ZINC001133965854 829707373 /nfs/dbraw/zinc/70/73/73/829707373.db2.gz MRQYMERDXHNVKF-ZDUSSCGKSA-N 2 0 337.486 -0.516 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001134767498 829842372 /nfs/dbraw/zinc/84/23/72/829842372.db2.gz ZHSZXWCSXNIPPT-QWHCGFSZSA-N 2 0 341.456 -0.201 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780600 829844826 /nfs/dbraw/zinc/84/48/26/829844826.db2.gz NOBPHOGZOGAEQE-UHFFFAOYSA-N 2 0 328.457 -0.423 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135095391 829897205 /nfs/dbraw/zinc/89/72/05/829897205.db2.gz GNRSCOJGPMIMNP-LSDHHAIUSA-N 2 0 340.468 -0.138 20 0 EBADRP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135118982 829899916 /nfs/dbraw/zinc/89/99/16/829899916.db2.gz UCKDXGZAPHJCEA-ZDUSSCGKSA-N 2 0 338.456 -0.321 20 0 EBADRP COCCOCC[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135118464 829900352 /nfs/dbraw/zinc/90/03/52/829900352.db2.gz OFIMKCZLJQSTMZ-UHFFFAOYSA-N 2 0 327.429 -0.573 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)[NH2+]CCN1C(=O)CNC1=O ZINC001135371219 829955193 /nfs/dbraw/zinc/95/51/93/829955193.db2.gz DUHNHGKZLMHYLF-NEPJUHHUSA-N 2 0 327.429 -0.637 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135372623 829955629 /nfs/dbraw/zinc/95/56/29/829955629.db2.gz RQMWBDBATSBAGH-KGLIPLIRSA-N 2 0 330.473 -0.036 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001135378036 829956598 /nfs/dbraw/zinc/95/65/98/829956598.db2.gz HDCQHQOCWGPBNY-QWRGUYRKSA-N 2 0 327.429 -0.604 20 0 EBADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)C(C)C ZINC001135474408 829972895 /nfs/dbraw/zinc/97/28/95/829972895.db2.gz PHVQHJGUJFSSHC-RYUDHWBXSA-N 2 0 329.445 -0.358 20 0 EBADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC)C(C)C ZINC001135474574 829973374 /nfs/dbraw/zinc/97/33/74/829973374.db2.gz UNVHFPYPBBGULX-CHWSQXEVSA-N 2 0 343.472 -0.097 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC001135511130 829978563 /nfs/dbraw/zinc/97/85/63/829978563.db2.gz JOBKTVZYLUKBCZ-UHFFFAOYSA-N 2 0 341.456 -0.198 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001135513246 829979829 /nfs/dbraw/zinc/97/98/29/829979829.db2.gz IVBMFMAXKKTHMK-UHFFFAOYSA-N 2 0 329.445 -0.342 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CC1CC[NH+](C)CC1 ZINC001135612911 829994565 /nfs/dbraw/zinc/99/45/65/829994565.db2.gz BDZVYGQPFYUISI-RYUDHWBXSA-N 2 0 341.456 -0.214 20 0 EBADRP COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135688304 830007796 /nfs/dbraw/zinc/00/77/96/830007796.db2.gz LESXCNLTKVWPOY-HZPDHXFCSA-N 2 0 345.484 -0.164 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001135861034 830035550 /nfs/dbraw/zinc/03/55/50/830035550.db2.gz LJVVCMZITZQKBO-CHWSQXEVSA-N 2 0 341.456 -0.247 20 0 EBADRP CCCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135924699 830047362 /nfs/dbraw/zinc/04/73/62/830047362.db2.gz VPXQKONRAWVPQJ-UONOGXRCSA-N 2 0 330.473 -0.036 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)[NH2+]CCNS(C)(=O)=O ZINC001135952467 830049423 /nfs/dbraw/zinc/04/94/23/830049423.db2.gz CUXFCFWXHWOFQX-OLZOCXBDSA-N 2 0 346.497 -0.496 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]CCOC[C@H]2CCCO2)CC1 ZINC001135963457 830052597 /nfs/dbraw/zinc/05/25/97/830052597.db2.gz NMFPVXZIUAWVKU-MRXNPFEDSA-N 2 0 343.468 -0.001 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001135963326 830053242 /nfs/dbraw/zinc/05/32/42/830053242.db2.gz GQDJLZKQONBZNM-AWEZNQCLSA-N 2 0 339.440 -0.939 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001135979496 830056184 /nfs/dbraw/zinc/05/61/84/830056184.db2.gz GVIHPBXJZYOHOM-OLZOCXBDSA-N 2 0 336.502 -0.250 20 0 EBADRP COC(=O)[C@@]1(NC(=O)CN(C)C(N)=[NH2+])CC[N@H+](Cc2ccccc2)C1 ZINC001144143464 830160202 /nfs/dbraw/zinc/16/02/02/830160202.db2.gz PQVYGFVPLBHCAL-QGZVFWFLSA-N 2 0 347.419 -0.254 20 0 EBADRP CN(CC(=O)N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1)C(N)=[NH2+] ZINC001144143893 830160580 /nfs/dbraw/zinc/16/05/80/830160580.db2.gz TWRZRYNEZAHRCP-UHFFFAOYSA-N 2 0 333.396 -0.425 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CCC[NH+]1CCCC1 ZINC001146537571 830207067 /nfs/dbraw/zinc/20/70/67/830207067.db2.gz YJRSFQBQVNINIV-CHWSQXEVSA-N 2 0 341.456 -0.070 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001146601106 830212844 /nfs/dbraw/zinc/21/28/44/830212844.db2.gz JYDKFDIZCKYYHK-CHWSQXEVSA-N 2 0 341.456 -0.249 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001146709758 830221539 /nfs/dbraw/zinc/22/15/39/830221539.db2.gz CNAUAMFINQXEFQ-UHFFFAOYSA-N 2 0 329.445 -0.342 20 0 EBADRP CC[C@H](C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C2)[NH+](C)C ZINC001147774521 830409290 /nfs/dbraw/zinc/40/92/90/830409290.db2.gz XHRGWCGZWDNOFV-VXGBXAGGSA-N 2 0 339.440 -0.556 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147833675 830417675 /nfs/dbraw/zinc/41/76/75/830417675.db2.gz AEUMGYPBJVRRJA-CVEARBPZSA-N 2 0 342.484 -0.035 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C(=O)Nc1nccs1 ZINC001147847908 830421530 /nfs/dbraw/zinc/42/15/30/830421530.db2.gz ACZSMOVYONXMSP-LLVKDONJSA-N 2 0 343.453 -0.246 20 0 EBADRP CC(C)S(=O)(=O)CCC[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147894019 830427156 /nfs/dbraw/zinc/42/71/56/830427156.db2.gz YBRVENORWQUZNC-UHFFFAOYSA-N 2 0 337.486 -0.516 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C(=O)NCc1ccco1 ZINC001147893808 830427395 /nfs/dbraw/zinc/42/73/95/830427395.db2.gz UHTLUJGPNQCKMW-CYBMUJFWSA-N 2 0 340.424 -0.432 20 0 EBADRP O=C(NCC[NH2+]C[C@@H](O)COC1CCOCC1)C12CC[NH+](CC1)C2 ZINC001147994842 830434980 /nfs/dbraw/zinc/43/49/80/830434980.db2.gz QNSVNGINKFFMQL-CQSZACIVSA-N 2 0 341.452 -0.656 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C12CC[NH+](CC1)C2)C(=O)NC[C@H]1CCCO1 ZINC001148000021 830436227 /nfs/dbraw/zinc/43/62/27/830436227.db2.gz IHDJNEOBZHAWNU-ZIAGYGMSSA-N 2 0 338.452 -0.528 20 0 EBADRP C[NH+](C)CCOCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001211709619 837452765 /nfs/dbraw/zinc/45/27/65/837452765.db2.gz SCKJOXFISRQYSC-JKSUJKDBSA-N 2 0 348.447 -0.366 20 0 EBADRP C[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](CCOCCO)C3)CC1 ZINC001148206457 830457135 /nfs/dbraw/zinc/45/71/35/830457135.db2.gz ZVLGXMWMJWBJTL-UHFFFAOYSA-N 2 0 325.453 -0.129 20 0 EBADRP C[NH+](C)CCCCC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001148365067 830475738 /nfs/dbraw/zinc/47/57/38/830475738.db2.gz FWGFDASSAQRKRA-CQSZACIVSA-N 2 0 328.457 -0.423 20 0 EBADRP C[NH+](C)CCCCC(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001148360095 830475948 /nfs/dbraw/zinc/47/59/48/830475948.db2.gz OAKHNHHFLMOPJM-UHFFFAOYSA-N 2 0 334.486 -0.540 20 0 EBADRP C[NH+](C)CCCCC(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001148365445 830476395 /nfs/dbraw/zinc/47/63/95/830476395.db2.gz QEMFHZMVZWBXLS-OAHLLOKOSA-N 2 0 345.484 -0.019 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001148577740 830511290 /nfs/dbraw/zinc/51/12/90/830511290.db2.gz BAQOMMFIRTUPKJ-AWEZNQCLSA-N 2 0 328.457 -0.423 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC2(C1)CC[N@H+](CCOCCO)C2 ZINC001148604245 830515831 /nfs/dbraw/zinc/51/58/31/830515831.db2.gz BJQZJYZKXLOVHQ-UHFFFAOYSA-N 2 0 329.441 -0.892 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC2(C1)CC[N@H+](CC(=O)N1CCC1)C2 ZINC001148605035 830516607 /nfs/dbraw/zinc/51/66/07/830516607.db2.gz NEADFIIZWMMNEN-UHFFFAOYSA-N 2 0 338.452 -0.669 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@H+](C)CCC ZINC001148654799 830524391 /nfs/dbraw/zinc/52/43/91/830524391.db2.gz ARFYPXBNFQXBHT-UHFFFAOYSA-N 2 0 329.445 -0.340 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCOCCO)CCCO1 ZINC001149399332 830657355 /nfs/dbraw/zinc/65/73/55/830657355.db2.gz SBYBNRNJMAZSGD-CABCVRRESA-N 2 0 329.441 -0.703 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CCN2CCCC2=O)CCCO1 ZINC001150241519 830846983 /nfs/dbraw/zinc/84/69/83/830846983.db2.gz PBAIOERDMOYEPJ-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP CC[C@@H](C(=O)NC[C@H]1C[N@H+](CCn2cncn2)CCCO1)[NH+](C)C ZINC001150350474 830871561 /nfs/dbraw/zinc/87/15/61/830871561.db2.gz IWQKZIIVAQXILG-GJZGRUSLSA-N 2 0 338.456 -0.175 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H]1C[NH+](CCOCCO)CCCO1 ZINC001150547229 830930030 /nfs/dbraw/zinc/93/00/30/830930030.db2.gz PEPUGXPLPGHURH-HNNXBMFYSA-N 2 0 331.457 -0.456 20 0 EBADRP COCCC[N@@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150587135 830938541 /nfs/dbraw/zinc/93/85/41/830938541.db2.gz FFHRLKBSRQUJQH-HNNXBMFYSA-N 2 0 331.457 -0.192 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606023 830942327 /nfs/dbraw/zinc/94/23/27/830942327.db2.gz ASCGWDROUPUUFQ-HZPDHXFCSA-N 2 0 345.484 -0.067 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[NH+](C[C@@H](O)COC)CCCO1 ZINC001150620605 830945365 /nfs/dbraw/zinc/94/53/65/830945365.db2.gz UJEWPEBISUUMQV-CABCVRRESA-N 2 0 331.457 -0.457 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](CCCO)CCCO1 ZINC001150725006 830971807 /nfs/dbraw/zinc/97/18/07/830971807.db2.gz SUDZLVDLVQMBKQ-JKSUJKDBSA-N 2 0 343.468 -0.456 20 0 EBADRP COCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001150725351 830971860 /nfs/dbraw/zinc/97/18/60/830971860.db2.gz ULIQQVMZRYVBJF-CVEARBPZSA-N 2 0 343.468 -0.192 20 0 EBADRP COc1ccccc1CNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151065471 831019941 /nfs/dbraw/zinc/01/99/41/831019941.db2.gz JYPXGYHGVBTFLY-HNNXBMFYSA-N 2 0 348.447 -0.031 20 0 EBADRP COc1cccc(CNC(=O)C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001151066107 831020274 /nfs/dbraw/zinc/02/02/74/831020274.db2.gz QFCMBDQPKCELBA-HNNXBMFYSA-N 2 0 348.447 -0.031 20 0 EBADRP O=C(C[NH+]1CCCC1)NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001151101089 831026488 /nfs/dbraw/zinc/02/64/88/831026488.db2.gz LHTQJSGMFOQBPB-GJZGRUSLSA-N 2 0 329.441 -0.656 20 0 EBADRP CC(C)COC[C@H](O)C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151156469 831034570 /nfs/dbraw/zinc/03/45/70/831034570.db2.gz DEDXQJIWGCLFQI-JKSUJKDBSA-N 2 0 345.484 -0.306 20 0 EBADRP CCC(C)(C)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151158625 831034855 /nfs/dbraw/zinc/03/48/55/831034855.db2.gz QGNISGOFFZKKFS-AWEZNQCLSA-N 2 0 342.484 -0.035 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152340108 831153926 /nfs/dbraw/zinc/15/39/26/831153926.db2.gz GQHMXUYDFUUOOW-UHFFFAOYSA-N 2 0 348.513 -0.102 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N(C)Cc1cnn(C)c1 ZINC001152432584 831162961 /nfs/dbraw/zinc/16/29/61/831162961.db2.gz LPYROPVSZJTHCH-UHFFFAOYSA-N 2 0 338.456 -0.576 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001152445620 831164180 /nfs/dbraw/zinc/16/41/80/831164180.db2.gz KODGWIJVWVSYOB-HNNXBMFYSA-N 2 0 340.468 -0.138 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCCNS(=O)(=O)CC ZINC001152451941 831164589 /nfs/dbraw/zinc/16/45/89/831164589.db2.gz NDBWIMUJUYTZNP-AWEZNQCLSA-N 2 0 348.513 -0.104 20 0 EBADRP CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152446097 831164597 /nfs/dbraw/zinc/16/45/97/831164597.db2.gz UCDKABMENCKTHO-UHFFFAOYSA-N 2 0 343.472 -0.983 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001152457688 831165734 /nfs/dbraw/zinc/16/57/34/831165734.db2.gz HBBAHAITZCXXBF-VXGBXAGGSA-N 2 0 327.429 -0.589 20 0 EBADRP CC(C)[C@H](C(=O)NCC[NH2+]CCN1CCNC1=O)[NH+]1CCCC1 ZINC001152479987 831166561 /nfs/dbraw/zinc/16/65/61/831166561.db2.gz KZXOSWDMWMFJRD-CQSZACIVSA-N 2 0 325.457 -0.162 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)[NH+]1CCCC1 ZINC001152473983 831166943 /nfs/dbraw/zinc/16/69/43/831166943.db2.gz YARFFTUGCAKRJL-NEPJUHHUSA-N 2 0 327.429 -0.604 20 0 EBADRP O=C(CCCC[NH+]1CCCC1)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001153314035 831221674 /nfs/dbraw/zinc/22/16/74/831221674.db2.gz AOSYIIYRLSGQQX-UHFFFAOYSA-N 2 0 340.468 -0.183 20 0 EBADRP Cn1ccc(N2CC[C@@H]([NH2+]CCCNC(=O)[C@H]3CCC[N@@H+]3C)C2=O)n1 ZINC001155813689 831432088 /nfs/dbraw/zinc/43/20/88/831432088.db2.gz TWDPBEBOJWLXMD-ZIAGYGMSSA-N 2 0 348.451 -0.285 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001155821789 831433137 /nfs/dbraw/zinc/43/31/37/831433137.db2.gz CINJWVLOMRSQEY-HOCLYGCPSA-N 2 0 343.468 -0.267 20 0 EBADRP C[C@@H](C[NH+](C)C)Nc1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001155914866 831440069 /nfs/dbraw/zinc/44/00/69/831440069.db2.gz NAXHKASWXVKEQM-JTQLQIEISA-N 2 0 327.454 -0.070 20 0 EBADRP CC[NH+](CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156194590 831461398 /nfs/dbraw/zinc/46/13/98/831461398.db2.gz UTTAABDKTPXFNS-CYBMUJFWSA-N 2 0 341.456 -0.293 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CCN1C(=O)CNC1=O ZINC001156530653 831481569 /nfs/dbraw/zinc/48/15/69/831481569.db2.gz SCOULTTVGLQRBV-CYBMUJFWSA-N 2 0 341.456 -0.293 20 0 EBADRP CS(=O)(=O)c1nc2c(c(-n3ccc(CC[NH3+])n3)n1)CC[NH2+]CC2 ZINC001156898844 831513856 /nfs/dbraw/zinc/51/38/56/831513856.db2.gz VWDOGRKZVOVLGU-UHFFFAOYSA-N 2 0 336.421 -0.745 20 0 EBADRP CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001157082030 831533517 /nfs/dbraw/zinc/53/35/17/831533517.db2.gz GDJXKPJMIMISBR-PVXIVEMSSA-N 2 0 335.408 -0.801 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001157323035 831553841 /nfs/dbraw/zinc/55/38/41/831553841.db2.gz JVXYOVSORHGKLO-QWHCGFSZSA-N 2 0 325.457 -0.780 20 0 EBADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H](CCCC[NH3+])[NH2+]C)CC1 ZINC001157448571 831566339 /nfs/dbraw/zinc/56/63/39/831566339.db2.gz AHQGKBXKBRWZIA-ZDUSSCGKSA-N 3 0 328.457 -0.024 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC(C)([NH3+])C1 ZINC001157652143 831584400 /nfs/dbraw/zinc/58/44/00/831584400.db2.gz XDTHRKOEYZWFNN-RYUDHWBXSA-N 2 0 326.441 -0.321 20 0 EBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H]([NH3+])Cc1cn(C=O)c2ccccc12 ZINC001157716413 831587345 /nfs/dbraw/zinc/58/73/45/831587345.db2.gz MXMOYYVJZUWWFI-GOEBONIOSA-N 2 0 344.415 -0.004 20 0 EBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CCC[C@H](C[NH3+])[C@H]2C)COC1(C)C ZINC001157841207 831596379 /nfs/dbraw/zinc/59/63/79/831596379.db2.gz FQQCQEFKVUQTIX-LOWDOPEQSA-N 2 0 326.441 -0.117 20 0 EBADRP C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1 ZINC001157843469 831597166 /nfs/dbraw/zinc/59/71/66/831597166.db2.gz RFDVYUVPVHJCDC-IHRRRGAJSA-N 2 0 348.451 -0.100 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157966990 831614922 /nfs/dbraw/zinc/61/49/22/831614922.db2.gz BBFPGNUJBRZDNI-AWEZNQCLSA-N 2 0 340.449 -0.620 20 0 EBADRP O=C(Cc1ccc2c(c1)C[NH2+]CC2)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091649 831627064 /nfs/dbraw/zinc/62/70/64/831627064.db2.gz GHVUKEIJWGZMSQ-SFHVURJKSA-N 2 0 328.416 -0.435 20 0 EBADRP COc1ccc([C@@H]([NH3+])CC(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)cn1 ZINC001158093036 831627079 /nfs/dbraw/zinc/62/70/79/831627079.db2.gz QYOKELYCMGZLKP-BLLLJJGKSA-N 2 0 333.392 -0.829 20 0 EBADRP O=C(c1csc(C2CC[NH2+]CC2)n1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102122 831627805 /nfs/dbraw/zinc/62/78/05/831627805.db2.gz ONGVPQFZMMXZNT-INIZCTEOSA-N 2 0 349.460 -0.086 20 0 EBADRP [NH3+][C@@H](Cc1c[nH]c2ncccc12)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158101665 831627975 /nfs/dbraw/zinc/62/79/75/831627975.db2.gz LDVLQAKNVXIRFP-SUMWQHHRSA-N 2 0 342.403 -0.877 20 0 EBADRP [NH3+][C@H](Cc1cccc(O)c1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158118990 831629997 /nfs/dbraw/zinc/62/99/97/831629997.db2.gz FLGSJJBQFVVYPD-KDOFPFPSSA-N 2 0 344.415 -0.800 20 0 EBADRP O=C([C@@H]1CCSC12C[NH2+]C2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120969 831631151 /nfs/dbraw/zinc/63/11/51/831631151.db2.gz QGKVHVBRGBLREY-NHYWBVRUSA-N 2 0 336.461 -0.980 20 0 EBADRP O=C([C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158162047 831632766 /nfs/dbraw/zinc/63/27/66/831632766.db2.gz TVJJSHBDRHUPOH-GXTWGEPZSA-N 2 0 327.450 -0.492 20 0 EBADRP CCOC(=O)c1cc2n(n1)CCCN(C(=O)[C@]13C[NH2+]C[C@H]1CCN3)C2 ZINC001158189997 831637945 /nfs/dbraw/zinc/63/79/45/831637945.db2.gz BTHFUNQHZVNROM-PXAZEXFGSA-N 2 0 347.419 -0.256 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NCCC[NH2+]CC(=O)N2CCC2)n1 ZINC001158274813 831642950 /nfs/dbraw/zinc/64/29/50/831642950.db2.gz FTVDGERDPOCYJI-UHFFFAOYSA-N 2 0 336.440 -0.614 20 0 EBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001158281919 831643099 /nfs/dbraw/zinc/64/30/99/831643099.db2.gz GAOXMBCSSZMOPV-ZBFHGGJFSA-N 2 0 340.468 -0.425 20 0 EBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158335468 831647368 /nfs/dbraw/zinc/64/73/68/831647368.db2.gz UTFKGWFLLFYPOA-HRCADAONSA-N 2 0 328.416 -0.048 20 0 EBADRP C[C@H]([NH3+])c1ccn(-c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)n1 ZINC001158344511 831648249 /nfs/dbraw/zinc/64/82/49/831648249.db2.gz DIWYERZIMXRFSS-VIFPVBQESA-N 2 0 336.421 -0.226 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158379721 831650460 /nfs/dbraw/zinc/65/04/60/831650460.db2.gz GLVSURJGFXHZSW-UKRRQHHQSA-N 2 0 328.457 -0.425 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CCN2CCNC2=O)CC[N@@H+]1C ZINC001158403321 831651412 /nfs/dbraw/zinc/65/14/12/831651412.db2.gz FFCCGKILCZHCGD-UONOGXRCSA-N 2 0 325.457 -0.162 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O)CC[N@@H+]1C ZINC001158403930 831651626 /nfs/dbraw/zinc/65/16/26/831651626.db2.gz NIQZAYVDYBKSMX-UONOGXRCSA-N 2 0 348.513 -0.296 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001158412583 831652428 /nfs/dbraw/zinc/65/24/28/831652428.db2.gz PZGSVQPYWDXVPK-QWHCGFSZSA-N 2 0 339.440 -0.636 20 0 EBADRP CN(C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC1 ZINC001158487319 831659736 /nfs/dbraw/zinc/65/97/36/831659736.db2.gz XYRQLTAIBYJNQK-GJZGRUSLSA-N 2 0 338.452 -0.434 20 0 EBADRP CCn1nncc1C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158486999 831659742 /nfs/dbraw/zinc/65/97/42/831659742.db2.gz UUJJVCYXYFHUDW-DZGCQCFKSA-N 2 0 336.440 -0.243 20 0 EBADRP CCn1nncc1C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158487001 831659900 /nfs/dbraw/zinc/65/99/00/831659900.db2.gz UUJJVCYXYFHUDW-UKRRQHHQSA-N 2 0 336.440 -0.243 20 0 EBADRP COc1nccc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001158486667 831660162 /nfs/dbraw/zinc/66/01/62/831660162.db2.gz QLLDWMVESXXLDT-LSDHHAIUSA-N 2 0 349.435 -0.056 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001158499045 831660661 /nfs/dbraw/zinc/66/06/61/831660661.db2.gz UYVKEGGIBMEYPF-ZQDZILKHSA-N 3 0 340.468 -0.202 20 0 EBADRP O=C(NCCC[NH2+]CCN1CCCC1=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158505369 831660700 /nfs/dbraw/zinc/66/07/00/831660700.db2.gz BYKOUHUMRBBQGI-LSDHHAIUSA-N 2 0 338.452 -0.432 20 0 EBADRP CS(=O)(=O)CCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158505337 831661040 /nfs/dbraw/zinc/66/10/40/831661040.db2.gz BCBOPVZLXKPLJB-ZIAGYGMSSA-N 2 0 347.481 -0.620 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)CN1CCC[C@@H]([NH2+]C)C1 ZINC001158497506 831661320 /nfs/dbraw/zinc/66/13/20/831661320.db2.gz ANWFHZUDYKPQCX-LJISPDSOSA-N 2 0 338.452 -0.578 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1C[C@@H](OC)CC[NH2+]1 ZINC001158507336 831662050 /nfs/dbraw/zinc/66/20/50/831662050.db2.gz XSHNXDJHOHBAGR-PDWCTOEPSA-N 2 0 325.409 -0.495 20 0 EBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158545670 831664064 /nfs/dbraw/zinc/66/40/64/831664064.db2.gz HWAQAWMPBPIKML-JEJJNBGPSA-N 2 0 336.436 -0.696 20 0 EBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158579249 831668142 /nfs/dbraw/zinc/66/81/42/831668142.db2.gz QPIOIFMHYKAAMI-CYDGBPFRSA-N 2 0 326.416 -0.140 20 0 EBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)C[C@@H]1COCC[NH2+]1)CC2 ZINC001158890760 831693586 /nfs/dbraw/zinc/69/35/86/831693586.db2.gz MFNFBRZRKWKJQJ-CQSZACIVSA-N 2 0 338.452 -0.432 20 0 EBADRP [NH3+]C[C@H](O)CC(=O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158890705 831693871 /nfs/dbraw/zinc/69/38/71/831693871.db2.gz KWJADGCXANLXRD-HWWQOWPSSA-N 2 0 338.383 -0.216 20 0 EBADRP [NH3+]C[C@H](O)CC(=O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158890707 831694068 /nfs/dbraw/zinc/69/40/68/831694068.db2.gz KWJADGCXANLXRD-XHBSWPGZSA-N 2 0 338.383 -0.216 20 0 EBADRP CS(=O)(=O)c1nc2c(c(N3CC[NH2+]C4(CC4)C3)n1)CC[NH2+]CC2 ZINC001158933727 831697116 /nfs/dbraw/zinc/69/71/16/831697116.db2.gz UPCVMRRRDTWHHB-UHFFFAOYSA-N 2 0 337.449 -0.490 20 0 EBADRP [NH3+]CCC[NH2+]CC(=O)N1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158935531 831697558 /nfs/dbraw/zinc/69/75/58/831697558.db2.gz VISWCRYYXGVYQC-HUUCEWRRSA-N 2 0 331.420 -0.278 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001159154681 831712710 /nfs/dbraw/zinc/71/27/10/831712710.db2.gz BBCRMVOWBFKWCA-LLVKDONJSA-N 2 0 330.408 -0.616 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001159155066 831712961 /nfs/dbraw/zinc/71/29/61/831712961.db2.gz HUUUHWLKXWMHID-ZDUSSCGKSA-N 2 0 331.436 -0.213 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001159327399 831740149 /nfs/dbraw/zinc/74/01/49/831740149.db2.gz ISGCUGWLQDNTQV-OAHLLOKOSA-N 2 0 340.468 -0.185 20 0 EBADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@]2(C)CC[NH2+]C2)CC3)CC1 ZINC001159425420 831751100 /nfs/dbraw/zinc/75/11/00/831751100.db2.gz RMJVJOPVLZBRAE-SFHVURJKSA-N 2 0 346.479 -0.028 20 0 EBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC001159436528 831752579 /nfs/dbraw/zinc/75/25/79/831752579.db2.gz QXUUJCOUNUIIET-CAOSSQGBSA-N 2 0 335.448 -0.020 20 0 EBADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)C[C@H](O)C[NH3+])C2 ZINC001159472480 831755841 /nfs/dbraw/zinc/75/58/41/831755841.db2.gz USHLBYWVHYKXOK-HLLBOEOZSA-N 2 0 325.453 -0.097 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1Cc2ccnn2C[C@@H](C(=O)N2CCCC2)C1 ZINC001159494004 831757073 /nfs/dbraw/zinc/75/70/73/831757073.db2.gz SKKWMOKSQRRIEV-DZGCQCFKSA-N 2 0 348.451 -0.470 20 0 EBADRP O=C([C@H]1[NH2+]CC[C@H]1O)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159559964 831761520 /nfs/dbraw/zinc/76/15/20/831761520.db2.gz GIXDKKPKRFUPCX-CVEARBPZSA-N 2 0 333.436 -0.020 20 0 EBADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159668540 831771161 /nfs/dbraw/zinc/77/11/61/831771161.db2.gz XTWNWPQUYPJIKY-QZWWFDLISA-N 2 0 346.431 -0.394 20 0 EBADRP [NH3+][C@H]1CN[C@H](C(=O)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)C1 ZINC001159667153 831771741 /nfs/dbraw/zinc/77/17/41/831771741.db2.gz SZFASHQSZVCQPC-QZWWFDLISA-N 2 0 345.447 -0.428 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159847261 831788198 /nfs/dbraw/zinc/78/81/98/831788198.db2.gz YDEXXOYOFCYKEX-LBPRGKRZSA-N 2 0 341.456 -0.199 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159853401 831788607 /nfs/dbraw/zinc/78/86/07/831788607.db2.gz DJJSZUQPBPHQHX-UHFFFAOYSA-N 2 0 348.513 -0.104 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC1CCOCC1)C1CC1 ZINC001159914553 831797205 /nfs/dbraw/zinc/79/72/05/831797205.db2.gz DYHOYJSBJBTFTF-INIZCTEOSA-N 2 0 340.468 -0.282 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159914647 831797261 /nfs/dbraw/zinc/79/72/61/831797261.db2.gz FHEZYOYDYXFOAU-DGCLKSJQSA-N 2 0 341.456 -0.343 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001160193855 831824026 /nfs/dbraw/zinc/82/40/26/831824026.db2.gz RXQPGKLXLGTARW-GFCCVEGCSA-N 2 0 332.412 -0.679 20 0 EBADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)[C@@H]2C[NH2+]CCN2)CC1 ZINC001160391524 831841922 /nfs/dbraw/zinc/84/19/22/831841922.db2.gz ODWXJFOAMVUYRC-AWEZNQCLSA-N 2 0 337.468 -0.907 20 0 EBADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)[C@@H]([NH3+])CCC[NH3+])CC1 ZINC001160389190 831842088 /nfs/dbraw/zinc/84/20/88/831842088.db2.gz XNCYWBNWYHOSDY-AWEZNQCLSA-N 3 0 339.484 -0.402 20 0 EBADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)C[NH2+]CCC[NH3+])CC1 ZINC001160390923 831842360 /nfs/dbraw/zinc/84/23/60/831842360.db2.gz HTPFBDDXLDZTAL-UHFFFAOYSA-N 3 0 339.484 -0.530 20 0 EBADRP [NH3+]C[C@]1(Nc2ncccc2C(=O)N2CC[NH2+]CC2)CN2CCC1CC2 ZINC001160513230 831859780 /nfs/dbraw/zinc/85/97/80/831859780.db2.gz LQENDQOFDVSXMH-SFHVURJKSA-N 2 0 344.463 -0.038 20 0 EBADRP [NH3+]C1CCN(C(=O)c2cnn3c2nccc3[C@H]2C[NH2+]CCO2)CC1 ZINC001160523742 831860149 /nfs/dbraw/zinc/86/01/49/831860149.db2.gz FINWXMJNVRRHQD-CQSZACIVSA-N 2 0 330.392 -0.047 20 0 EBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160585980 831867127 /nfs/dbraw/zinc/86/71/27/831867127.db2.gz UYUIMYWAKGSLEC-AAEUAGOBSA-N 2 0 330.388 -0.435 20 0 EBADRP N[C@@]1(C(=O)N2c3ccccc3C(=O)NC23CC[NH2+]CC3)CC[NH2+]C1 ZINC001160588406 831867190 /nfs/dbraw/zinc/86/71/90/831867190.db2.gz BNKHAQRUZWSZDM-INIZCTEOSA-N 2 0 329.404 -0.467 20 0 EBADRP COC(=O)C[C@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCO1 ZINC001160595782 831869200 /nfs/dbraw/zinc/86/92/00/831869200.db2.gz ILPAXYVRGIWTQI-STQMWFEESA-N 2 0 325.409 -0.349 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCN(C2CCOCC2)C(=O)C1 ZINC001160637151 831873489 /nfs/dbraw/zinc/87/34/89/831873489.db2.gz RSZDGVDWULCVHH-AWEZNQCLSA-N 2 0 326.441 -0.447 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CN(c2ccccc2)C3)CCO1 ZINC001160644299 831874794 /nfs/dbraw/zinc/87/47/94/831874794.db2.gz YKIXCJNXXUZURP-UWWQBHOKSA-N 2 0 330.432 -0.102 20 0 EBADRP [NH3+][C@H](CCC(=O)OCc1ccccc1)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160653138 831877070 /nfs/dbraw/zinc/87/70/70/831877070.db2.gz WEACQQNDNNMVDS-RBSFLKMASA-N 2 0 335.404 -0.242 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001160772715 831885393 /nfs/dbraw/zinc/88/53/93/831885393.db2.gz WGWFCIFMGVZUGG-OCCSQVGLSA-N 2 0 332.395 -0.237 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(C[C@@H](F)CO2)CC1 ZINC001160788253 831886292 /nfs/dbraw/zinc/88/62/92/831886292.db2.gz PUJVPCKHUYMQML-OCCSQVGLSA-N 2 0 328.432 -0.144 20 0 EBADRP CCOC(=O)[C@H]1c2nc[nH]c2CCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160789065 831886425 /nfs/dbraw/zinc/88/64/25/831886425.db2.gz VOBDUKRPJIHOMI-ZWNOBZJWSA-N 2 0 333.392 -0.792 20 0 EBADRP CCOC(=O)[C@@H]1c2nc[nH]c2CCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160788265 831886748 /nfs/dbraw/zinc/88/67/48/831886748.db2.gz PVOHOVDSOZIFBD-HYSWKAIVSA-N 2 0 347.419 -0.402 20 0 EBADRP CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160824830 831891906 /nfs/dbraw/zinc/89/19/06/831891906.db2.gz RONDKBFLCGVVRO-JQWIXIFHSA-N 2 0 341.437 -0.582 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001160867838 831901061 /nfs/dbraw/zinc/90/10/61/831901061.db2.gz ISDKENJCOZKWQX-NWDGAFQWSA-N 2 0 325.413 -0.706 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001160870006 831902237 /nfs/dbraw/zinc/90/22/37/831902237.db2.gz UUMYTBCJSPPLPB-KBPBESRZSA-N 2 0 346.497 -0.352 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001160883613 831903019 /nfs/dbraw/zinc/90/30/19/831903019.db2.gz PQYJYKUHUGLBOC-GFCCVEGCSA-N 2 0 329.445 -0.342 20 0 EBADRP CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NCC(C)C)[NH+](C)C ZINC001160889526 831904060 /nfs/dbraw/zinc/90/40/60/831904060.db2.gz LXRHPKPDLZZSMM-CYBMUJFWSA-N 2 0 343.472 -0.096 20 0 EBADRP [NH3+]CCC[NH2+]CC(=O)N1CCC(n2nnc3ccccc3c2=O)CC1 ZINC001160903767 831905405 /nfs/dbraw/zinc/90/54/05/831905405.db2.gz BJTOJTQEPHGBPT-UHFFFAOYSA-N 2 0 344.419 -0.107 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)CC(F)(F)C1 ZINC001160973425 831911987 /nfs/dbraw/zinc/91/19/87/831911987.db2.gz VJCUMGIHNLLDAO-SRVKXCTJSA-N 2 0 330.379 -0.076 20 0 EBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161007038 831913292 /nfs/dbraw/zinc/91/32/92/831913292.db2.gz HQEPAKQEVLUGDI-QWHCGFSZSA-N 2 0 326.441 -0.809 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000074 831913873 /nfs/dbraw/zinc/91/38/73/831913873.db2.gz OXYLQTLHLHQDEC-QWHCGFSZSA-N 2 0 326.441 -0.809 20 0 EBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161006944 831913883 /nfs/dbraw/zinc/91/38/83/831913883.db2.gz HNELPXFHKDDGLI-KBPBESRZSA-N 2 0 326.441 -0.665 20 0 EBADRP CN(CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)S(C)(=O)=O ZINC001161042068 831916031 /nfs/dbraw/zinc/91/60/31/831916031.db2.gz NLOBPXVKGRUSAC-ZDUSSCGKSA-N 2 0 334.486 -0.542 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161040777 831916093 /nfs/dbraw/zinc/91/60/93/831916093.db2.gz CKEBCLKLCDUVLY-AWEZNQCLSA-N 2 0 328.457 -0.281 20 0 EBADRP C[N@@H+]1C[C@@H](C(=O)N2CCC(C(N)=S)CC2)OC2(CC[NH2+]CC2)C1 ZINC001161030623 831916203 /nfs/dbraw/zinc/91/62/03/831916203.db2.gz CQGSBWPLLJGYKW-ZDUSSCGKSA-N 2 0 340.493 -0.036 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161033412 831916216 /nfs/dbraw/zinc/91/62/16/831916216.db2.gz QCUAWUORQBXPDY-CHWSQXEVSA-N 2 0 341.456 -0.199 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001161041805 831916247 /nfs/dbraw/zinc/91/62/47/831916247.db2.gz MAZDROWPVFLSCV-HUUCEWRRSA-N 2 0 340.468 -0.138 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161042063 831916381 /nfs/dbraw/zinc/91/63/81/831916381.db2.gz NJYAYSPVFJGXMQ-CYBMUJFWSA-N 2 0 341.456 -0.198 20 0 EBADRP CN(C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1)C1(C)CC[NH2+]CC1 ZINC001161069071 831919074 /nfs/dbraw/zinc/91/90/74/831919074.db2.gz ZVYMTRUCHAJLSK-ZDUSSCGKSA-N 2 0 348.451 -0.086 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161066887 831919344 /nfs/dbraw/zinc/91/93/44/831919344.db2.gz DAWLWXBTIKUXGO-NWDGAFQWSA-N 2 0 341.437 -0.973 20 0 EBADRP CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C1(C)CC[NH2+]CC1 ZINC001161073185 831920373 /nfs/dbraw/zinc/92/03/73/831920373.db2.gz KFAHBOMVQDPAJY-LBPRGKRZSA-N 2 0 328.457 -0.155 20 0 EBADRP C[NH+]1CCN(c2ccc(NCCN(CC[NH3+])N(O)N=O)nn2)CC1 ZINC001161086827 831921859 /nfs/dbraw/zinc/92/18/59/831921859.db2.gz CTRJMSMGFRDGOX-UHFFFAOYSA-N 2 0 339.404 -0.811 20 0 EBADRP CC(=O)N1CCC[C@H](N(C)C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001161132209 831929174 /nfs/dbraw/zinc/92/91/74/831929174.db2.gz WHTDZHSYPPPWHA-GJZGRUSLSA-N 2 0 325.457 -0.794 20 0 EBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001161159138 831933531 /nfs/dbraw/zinc/93/35/31/831933531.db2.gz VRRGTZGTRZGQEQ-CABCVRRESA-N 2 0 340.468 -0.057 20 0 EBADRP CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(C(=O)[C@@H]2C[C@H]([NH3+])CN2)C1 ZINC001161171956 831934739 /nfs/dbraw/zinc/93/47/39/831934739.db2.gz RDGQGILECRFTTB-RNJOBUHISA-N 2 0 335.408 -0.345 20 0 EBADRP COC(=O)[C@H]1CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CCN1C(C)=O ZINC001161295088 831944665 /nfs/dbraw/zinc/94/46/65/831944665.db2.gz FPRCALIGMSVLBQ-QWHCGFSZSA-N 2 0 328.413 -0.935 20 0 EBADRP COC(=O)[C@@H]1CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CCN1C(C)=O ZINC001161295089 831944733 /nfs/dbraw/zinc/94/47/33/831944733.db2.gz FPRCALIGMSVLBQ-STQMWFEESA-N 2 0 328.413 -0.935 20 0 EBADRP Cc1c[nH+]ccc1N1CCN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001161306523 831946134 /nfs/dbraw/zinc/94/61/34/831946134.db2.gz ONZQBHJVLWTROB-CQSZACIVSA-N 2 0 331.420 -0.631 20 0 EBADRP COc1cc(N2CCN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)CC2)ccn1 ZINC001161306572 831946465 /nfs/dbraw/zinc/94/64/65/831946465.db2.gz QSQHDFKCPWHBIP-CQSZACIVSA-N 2 0 331.420 -0.452 20 0 EBADRP CC(C)N(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)[C@H]1CC[NH2+]C1 ZINC001161353135 831950871 /nfs/dbraw/zinc/95/08/71/831950871.db2.gz MQUGNIOBDUWERT-STQMWFEESA-N 2 0 328.457 -0.156 20 0 EBADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161413552 831956059 /nfs/dbraw/zinc/95/60/59/831956059.db2.gz QKXWCZANXLGPIR-SYQHCUMBSA-N 2 0 346.435 -0.490 20 0 EBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001161430635 831957095 /nfs/dbraw/zinc/95/70/95/831957095.db2.gz HBTBHRWUBNWAJM-BBRMVZONSA-N 2 0 348.447 -0.409 20 0 EBADRP C[NH+](C)CCN(C(=O)c1cnc2n1CC[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC001161453006 831958984 /nfs/dbraw/zinc/95/89/84/831958984.db2.gz WKQUIZPDGHTJAF-CQSZACIVSA-N 3 0 334.468 -0.215 20 0 EBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161450025 831959076 /nfs/dbraw/zinc/95/90/76/831959076.db2.gz XZGAVOZCUQOOAI-HOTGVXAUSA-N 3 0 341.500 -0.238 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)CC1([NH3+])CCOCC1)CC2 ZINC001161479330 831963251 /nfs/dbraw/zinc/96/32/51/831963251.db2.gz KEHNHRJFONEZCN-BLLLJJGKSA-N 2 0 325.409 -0.362 20 0 EBADRP CN1C(=O)CC[C@@H]2CN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)CC[C@H]21 ZINC001161481225 831964440 /nfs/dbraw/zinc/96/44/40/831964440.db2.gz CXEGAMBPJGSWIU-VHDGCEQUSA-N 2 0 337.468 -0.794 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)c1n[nH]c3c1CC[NH2+]C3)CC2 ZINC001161480818 831964564 /nfs/dbraw/zinc/96/45/64/831964564.db2.gz BJIQNMBXOGTAPY-WBMJQRKESA-N 2 0 333.392 -0.577 20 0 EBADRP C[C@]1(C[NH3+])CCCN(C(=O)[C@@H]([NH3+])CCCNC(=O)c2cnccn2)C1 ZINC001161488491 831965094 /nfs/dbraw/zinc/96/50/94/831965094.db2.gz CTKOYNNXVPFKSA-SUMWQHHRSA-N 2 0 348.451 -0.099 20 0 EBADRP C[C@]1(C[NH3+])CCCN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)C1 ZINC001161490155 831965708 /nfs/dbraw/zinc/96/57/08/831965708.db2.gz TTXCMSYLKIWHIR-SWLSCSKDSA-N 2 0 333.440 -0.489 20 0 EBADRP C[C@]1(C[NH3+])CCCN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)C1 ZINC001161490154 831965920 /nfs/dbraw/zinc/96/59/20/831965920.db2.gz TTXCMSYLKIWHIR-IUODEOHRSA-N 2 0 333.440 -0.489 20 0 EBADRP [NH3+][C@@H](CC(=O)OC1CCCCC1)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161499377 831966655 /nfs/dbraw/zinc/96/66/55/831966655.db2.gz GUQBVJKXSLDQAT-STQMWFEESA-N 2 0 325.409 -0.234 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)[C@@H](c2ccco2)N2CCC[NH2+]CC2)CC12COC2 ZINC001161501457 831967103 /nfs/dbraw/zinc/96/71/03/831967103.db2.gz YLBSNNQZTBCANB-HUUCEWRRSA-N 2 0 334.420 -0.198 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)c2ccc3c(c2)[C@H]2C[NH2+]C[C@H]2NC3=O)CC12COC2 ZINC001161506889 831967369 /nfs/dbraw/zinc/96/73/69/831967369.db2.gz PSGVZIVOEDMPBE-RBSFLKMASA-N 2 0 342.399 -0.715 20 0 EBADRP Cc1c(C(=O)NCCC[NH2+]Cc2nc(=O)n(C)[nH]2)ccc2c[nH+]cn21 ZINC001161563957 831972984 /nfs/dbraw/zinc/97/29/84/831972984.db2.gz LYECEIDRXCFRQE-UHFFFAOYSA-N 2 0 343.391 -0.026 20 0 EBADRP CNC(=O)[C@@H](C)[N@H+]1CC=C(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001161699266 831983369 /nfs/dbraw/zinc/98/33/69/831983369.db2.gz QIRFLFSMIQGGPT-CQSZACIVSA-N 2 0 340.468 -0.163 20 0 EBADRP CN(C)C(=O)C[N@H+]1CC=C(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001161698993 831983532 /nfs/dbraw/zinc/98/35/32/831983532.db2.gz JFGOMONMFFGNAK-UHFFFAOYSA-N 2 0 340.468 -0.209 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1(COC)CC[NH+](CC(=O)NC)CC1 ZINC001162569787 832053546 /nfs/dbraw/zinc/05/35/46/832053546.db2.gz XFNHUEGDOSGMKH-UHFFFAOYSA-N 2 0 342.484 -0.081 20 0 EBADRP COCC1(CNC(=O)C[NH+]2CCCC2)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001162604373 832055877 /nfs/dbraw/zinc/05/58/77/832055877.db2.gz PTVQPUSNAYWJSN-CQSZACIVSA-N 2 0 340.468 -0.199 20 0 EBADRP O=C(NCCC[NH2+]CCn1cncn1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872562 832068882 /nfs/dbraw/zinc/06/88/82/832068882.db2.gz WEXYVLYOYWQTHX-BBBYJDLNSA-N 2 0 334.424 -0.763 20 0 EBADRP Cn1ncnc1C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872373 832069090 /nfs/dbraw/zinc/06/90/90/832069090.db2.gz PXKNFXLMSKKYHO-MFOWVQHXSA-N 2 0 334.424 -0.726 20 0 EBADRP O=C(NCCC[NH2+][C@@H]1CCCNC1=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872383 832069184 /nfs/dbraw/zinc/06/91/84/832069184.db2.gz QDLRRDNFEZNTKB-YXXKGXSTSA-N 2 0 336.436 -0.776 20 0 EBADRP c1nc(O[C@H]2CC[NH2+]C2)ncc1NCc1nnn2c1C[NH2+]CCC2 ZINC001162972225 832072957 /nfs/dbraw/zinc/07/29/57/832072957.db2.gz RVNLIVSCJOFCMU-LBPRGKRZSA-N 2 0 330.396 -0.086 20 0 EBADRP O=C(NCCC[NH2+]CCN1CCNC1=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001163231527 832091604 /nfs/dbraw/zinc/09/16/04/832091604.db2.gz DEOROSSQAAAKDP-HNNXBMFYSA-N 2 0 337.468 -0.018 20 0 EBADRP C[NH+](C)CCCNC(=O)c1cccnc1N[C@@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001163238980 832092481 /nfs/dbraw/zinc/09/24/81/832092481.db2.gz PVJSNYIKDIKMHK-GUYCJALGSA-N 2 0 346.435 -0.247 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CCN2CCNC2=O)CC1 ZINC001163820645 832142686 /nfs/dbraw/zinc/14/26/86/832142686.db2.gz HEJGFYOZNNKHKQ-CQSZACIVSA-N 2 0 337.468 -0.018 20 0 EBADRP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001350340978 832156103 /nfs/dbraw/zinc/15/61/03/832156103.db2.gz GAUGWJRQUNBTML-ZFWWWQNUSA-N 2 0 338.452 -0.528 20 0 EBADRP CN(c1cccc2nc([C@H]3C[NH2+]CCO3)cn21)S(=O)(=O)CC[NH3+] ZINC001164297521 832183035 /nfs/dbraw/zinc/18/30/35/832183035.db2.gz WVPVQSANOLOVFK-GFCCVEGCSA-N 2 0 339.421 -0.280 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001164455857 832188466 /nfs/dbraw/zinc/18/84/66/832188466.db2.gz GJOBEEQVRONFLQ-STQMWFEESA-N 2 0 341.456 -0.212 20 0 EBADRP CN(C(=O)COCC[NH+](C)C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001350745784 832191278 /nfs/dbraw/zinc/19/12/78/832191278.db2.gz WVYWUXDPZMRAIH-AWEZNQCLSA-N 2 0 328.457 -0.424 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001164535824 832195253 /nfs/dbraw/zinc/19/52/53/832195253.db2.gz HAJMFMUWGLDUPM-UKRRQHHQSA-N 2 0 340.468 -0.141 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NC2CC2)C1 ZINC001164538657 832196036 /nfs/dbraw/zinc/19/60/36/832196036.db2.gz LBACUTMVRRAVLZ-CQSZACIVSA-N 2 0 326.441 -0.530 20 0 EBADRP COCCOCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001164539354 832196049 /nfs/dbraw/zinc/19/60/49/832196049.db2.gz ZAZZRNLUWBOBCA-OAHLLOKOSA-N 2 0 331.457 -0.146 20 0 EBADRP CNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001164596307 832200472 /nfs/dbraw/zinc/20/04/72/832200472.db2.gz DGAANNLJCKZDQB-KGLIPLIRSA-N 2 0 338.452 -0.528 20 0 EBADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]CC(=O)N2CCOCC2)CC1 ZINC001165255068 832208388 /nfs/dbraw/zinc/20/83/88/832208388.db2.gz VSSFXIMPMAHWET-UHFFFAOYSA-N 2 0 326.441 -0.717 20 0 EBADRP c1nc2n(n1)C1(CC[NH2+]CC1)CN(c1cc3c(nn1)CC[NH2+]C3)C2 ZINC001165311439 832214788 /nfs/dbraw/zinc/21/47/88/832214788.db2.gz MCYGOVGHAKHEBU-UHFFFAOYSA-N 2 0 326.408 -0.187 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165366640 832218077 /nfs/dbraw/zinc/21/80/77/832218077.db2.gz BKLMSEDFKPCIKZ-LBPRGKRZSA-N 2 0 329.445 -0.342 20 0 EBADRP C[NH+](C)CCCC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001165359683 832218092 /nfs/dbraw/zinc/21/80/92/832218092.db2.gz GMGGVMJZLZNUNB-AWEZNQCLSA-N 2 0 328.457 -0.423 20 0 EBADRP CS(=O)(=O)c1nc2c(c(N3CCC[C@H]4[NH2+]C[C@@H]43)n1)CC[NH2+]CC2 ZINC001165387663 832218293 /nfs/dbraw/zinc/21/82/93/832218293.db2.gz QOMNCMZKZBLPGE-OLZOCXBDSA-N 2 0 337.449 -0.491 20 0 EBADRP CS(=O)(=O)c1nc2c(c(N3CCC[C@@H]4[NH2+]C[C@H]43)n1)CC[NH2+]CC2 ZINC001165387664 832218517 /nfs/dbraw/zinc/21/85/17/832218517.db2.gz QOMNCMZKZBLPGE-QWHCGFSZSA-N 2 0 337.449 -0.491 20 0 EBADRP C[N@H+](CC(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1)C1CCC1 ZINC001165492057 832223107 /nfs/dbraw/zinc/22/31/07/832223107.db2.gz HSOZUCHMPYDGGA-UHFFFAOYSA-N 2 0 339.440 -0.458 20 0 EBADRP CC[C@H](C(=O)NCCC1(C[NH2+]CC(=O)NC(=O)NC)CC1)[NH+](C)C ZINC001165727518 832234815 /nfs/dbraw/zinc/23/48/15/832234815.db2.gz CBEYWNOJWUUIPU-GFCCVEGCSA-N 2 0 341.456 -0.342 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001165765040 832236100 /nfs/dbraw/zinc/23/61/00/832236100.db2.gz XALNPBGFAFRTLV-GFCCVEGCSA-N 2 0 339.440 -0.458 20 0 EBADRP C[NH+]1CCC(C(=O)NCCC[NH2+]C[C@H](O)CN2CCCC2=O)CC1 ZINC001165777813 832237316 /nfs/dbraw/zinc/23/73/16/832237316.db2.gz YMGAXRJEUYHGFB-HNNXBMFYSA-N 2 0 340.468 -0.593 20 0 EBADRP C[NH+]1CCC(C(=O)NCCC[NH2+]CC(=O)Nc2nncs2)CC1 ZINC001165776948 832237726 /nfs/dbraw/zinc/23/77/26/832237726.db2.gz PFFCMCWYZJDYJS-UHFFFAOYSA-N 2 0 340.453 -0.086 20 0 EBADRP [NH3+]Cc1cc(-n2nc(C(=O)N3CCOCC3)c3c2C[NH2+]C3)ncn1 ZINC001165856511 832239585 /nfs/dbraw/zinc/23/95/85/832239585.db2.gz CPDLFOCBYXAMAO-UHFFFAOYSA-N 2 0 329.364 -0.803 20 0 EBADRP O=C(c1nn(-c2ncnc3c2C[NH2+]C3)c2c1C[NH2+]C2)N1CCOCC1 ZINC001165858271 832240309 /nfs/dbraw/zinc/24/03/09/832240309.db2.gz YOQRICWWEQRFLA-UHFFFAOYSA-N 2 0 341.375 -0.659 20 0 EBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(C)CCOCC[NH3+])CC1 ZINC001351540363 832248828 /nfs/dbraw/zinc/24/88/28/832248828.db2.gz ZEBISWNRSGXTJZ-UHFFFAOYSA-N 2 0 343.472 -0.454 20 0 EBADRP C[NH+]1CCC(NC(=O)c2ccc(-n3ccnc3CC[NH3+])nn2)CC1 ZINC001166298707 832254074 /nfs/dbraw/zinc/25/40/74/832254074.db2.gz BGNIJGVWCWWLCR-UHFFFAOYSA-N 2 0 329.408 -0.013 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001166627040 832274497 /nfs/dbraw/zinc/27/44/97/832274497.db2.gz ONROHFUWSFXXKZ-CABCVRRESA-N 2 0 340.468 -0.450 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001166626416 832275106 /nfs/dbraw/zinc/27/51/06/832275106.db2.gz GDTFIMVGUUPSSA-CYBMUJFWSA-N 2 0 339.440 -0.492 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166668193 832278031 /nfs/dbraw/zinc/27/80/31/832278031.db2.gz UVFSEWGBXVURQG-CHWSQXEVSA-N 2 0 341.456 -0.342 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001166676903 832278663 /nfs/dbraw/zinc/27/86/63/832278663.db2.gz DTRSIHFSWLMJSG-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001166694060 832280475 /nfs/dbraw/zinc/28/04/75/832280475.db2.gz UUYHJVPFGKFOIB-STQMWFEESA-N 2 0 334.486 -0.781 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1nnc2n1CCOC2 ZINC001166707753 832281373 /nfs/dbraw/zinc/28/13/73/832281373.db2.gz IVWMGBNYXZCOBW-QWHCGFSZSA-N 2 0 336.440 -0.398 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001166708619 832282675 /nfs/dbraw/zinc/28/26/75/832282675.db2.gz UWWYBFSTENTSIU-UONOGXRCSA-N 2 0 328.457 -0.567 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001166764890 832287204 /nfs/dbraw/zinc/28/72/04/832287204.db2.gz NBUOJWATZCUFLO-UHFFFAOYSA-N 2 0 341.456 -0.340 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(c3ncc4c(n3)C[NH2+]C4)C[C@H]1C2 ZINC001167231565 832319816 /nfs/dbraw/zinc/31/98/16/832319816.db2.gz YUSLPCJPYHZEEF-DAWNXDAASA-N 2 0 329.404 -0.085 20 0 EBADRP CC[C@@H](C(=O)NCCC1(C[NH2+][C@H](C)C(=O)NC(N)=O)CC1)[NH+](C)C ZINC001167250880 832321650 /nfs/dbraw/zinc/32/16/50/832321650.db2.gz KTOFOBYXCYELFQ-NEPJUHHUSA-N 2 0 341.456 -0.214 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+]CC(=O)NC(=O)NC)CC1 ZINC001167480684 832344480 /nfs/dbraw/zinc/34/44/80/832344480.db2.gz QONCFPVYJZZEFK-UHFFFAOYSA-N 2 0 341.456 -0.340 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001167640304 832361171 /nfs/dbraw/zinc/36/11/71/832361171.db2.gz MESABNWAKNLNAJ-UHFFFAOYSA-N 2 0 327.429 -0.601 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC1(C[NH2+]CCOCCO)CC1 ZINC001167732822 832367858 /nfs/dbraw/zinc/36/78/58/832367858.db2.gz NYEKQKVMSIVMAY-UHFFFAOYSA-N 2 0 331.457 -0.550 20 0 EBADRP CCN(C)C(=O)C[NH2+]CC1(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001167732671 832368104 /nfs/dbraw/zinc/36/81/04/832368104.db2.gz LXLDCBSXNWPIPC-UHFFFAOYSA-N 2 0 342.484 -0.081 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC1(C[NH2+]CC(=O)N2CCC2)CC1 ZINC001167733046 832368539 /nfs/dbraw/zinc/36/85/39/832368539.db2.gz SRURUUUMJPMBNZ-UHFFFAOYSA-N 2 0 340.468 -0.327 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168031108 832388769 /nfs/dbraw/zinc/38/87/69/832388769.db2.gz WYFNOPHHLALQTG-ZIAGYGMSSA-N 2 0 346.497 -0.352 20 0 EBADRP Cn1cc(C[NH2+]CCCNC(=O)c2cnn(CC[NH+](C)C)c2)nn1 ZINC001168051696 832391263 /nfs/dbraw/zinc/39/12/63/832391263.db2.gz GXORPHZZJBJEFN-UHFFFAOYSA-N 2 0 334.428 -0.517 20 0 EBADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001353273532 832419361 /nfs/dbraw/zinc/41/93/61/832419361.db2.gz PQMLEAQCRISSQU-IRXDYDNUSA-N 2 0 327.517 -0.790 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001168763571 832434125 /nfs/dbraw/zinc/43/41/25/832434125.db2.gz POPKIBDLLKXSCG-HZPDHXFCSA-N 2 0 345.484 -0.019 20 0 EBADRP CC1CC[NH+](CC(=O)NCCC[NH2+]CCN2C(=O)CCC2=O)CC1 ZINC001169134014 832450592 /nfs/dbraw/zinc/45/05/92/832450592.db2.gz ALGIHCKVLKSVSM-UHFFFAOYSA-N 2 0 338.452 -0.037 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CC(=O)NC(=O)NCC(C)C ZINC001170222031 832492771 /nfs/dbraw/zinc/49/27/71/832492771.db2.gz JAGYCIBNWLPOMD-UHFFFAOYSA-N 2 0 343.472 -0.094 20 0 EBADRP C[NH+]1CCC(NC(=O)c2ccc(N[C@@H]3C[NH2+]C[C@@H]3CO)nn2)CC1 ZINC001170778073 832525111 /nfs/dbraw/zinc/52/51/11/832525111.db2.gz KUXMYSIQEXZKBH-BXUZGUMPSA-N 2 0 334.424 -0.707 20 0 EBADRP CN1CCN(S(=O)(=O)c2ccc(N[C@H]([NH3+])CCC[NH3+])nc2)CC1 ZINC001170899215 832530743 /nfs/dbraw/zinc/53/07/43/832530743.db2.gz YKXCLLFIGSDCRG-ZDUSSCGKSA-N 2 0 342.469 -0.547 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]Cc1nnnn1C1CC1 ZINC001171205595 832550326 /nfs/dbraw/zinc/55/03/26/832550326.db2.gz UMYBFYZVUQYWSE-UHFFFAOYSA-N 2 0 325.417 -0.818 20 0 EBADRP CC(C)NC(=O)NCC[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171204944 832550435 /nfs/dbraw/zinc/55/04/35/832550435.db2.gz JBNMGNPBKWAPOW-UHFFFAOYSA-N 2 0 331.461 -0.632 20 0 EBADRP CCCn1ncnc1C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171205729 832550516 /nfs/dbraw/zinc/55/05/16/832550516.db2.gz WSRZDJJZTJJPOY-UHFFFAOYSA-N 2 0 326.445 -0.138 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001171204496 832550548 /nfs/dbraw/zinc/55/05/48/832550548.db2.gz BCDPSGRBAYXWSW-CYBMUJFWSA-N 2 0 335.470 -0.905 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001171228070 832552182 /nfs/dbraw/zinc/55/21/82/832552182.db2.gz RKKYSHPTSXBPQA-LSDHHAIUSA-N 2 0 340.468 -0.423 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171226678 832552231 /nfs/dbraw/zinc/55/22/31/832552231.db2.gz JEVPFWZAWTXUFQ-GJZGRUSLSA-N 2 0 331.457 -0.552 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001171225906 832552579 /nfs/dbraw/zinc/55/25/79/832552579.db2.gz AZFYCAAVQGHQHJ-CYBMUJFWSA-N 2 0 339.440 -0.634 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171294676 832555282 /nfs/dbraw/zinc/55/52/82/832555282.db2.gz VPZKGDBOQBDIJR-CQSZACIVSA-N 2 0 329.441 -0.798 20 0 EBADRP O=C(NCCC[NH2+]C[C@H](O)CN1CCCC1=O)C12CC[NH+](CC1)C2 ZINC001171310113 832555489 /nfs/dbraw/zinc/55/54/89/832555489.db2.gz DHISZEQDGRJOSP-AWEZNQCLSA-N 2 0 338.452 -0.839 20 0 EBADRP C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171539165 832562986 /nfs/dbraw/zinc/56/29/86/832562986.db2.gz RMXMFTHUHKWZNJ-CHWSQXEVSA-N 2 0 341.456 -0.070 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001171762439 832574710 /nfs/dbraw/zinc/57/47/10/832574710.db2.gz DTRRNJJUZSQUEY-UHFFFAOYSA-N 2 0 334.486 -0.540 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)Nc1nncs1 ZINC001171763207 832574816 /nfs/dbraw/zinc/57/48/16/832574816.db2.gz VNFGLEFRBJAYQO-UHFFFAOYSA-N 2 0 328.442 -0.086 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001171769600 832575866 /nfs/dbraw/zinc/57/58/66/832575866.db2.gz ACSGTJFFVXVEBJ-CYBMUJFWSA-N 2 0 343.472 -0.983 20 0 EBADRP C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175264267 832620244 /nfs/dbraw/zinc/62/02/44/832620244.db2.gz RNUWYVLAPOFSAE-QWHCGFSZSA-N 2 0 341.456 -0.212 20 0 EBADRP CN(C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C)C1(C[NH3+])CCOCC1 ZINC001356427217 832628157 /nfs/dbraw/zinc/62/81/57/832628157.db2.gz INCSVPBEGMCIOX-KBPBESRZSA-N 2 0 340.468 -0.058 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001176056301 832654316 /nfs/dbraw/zinc/65/43/16/832654316.db2.gz FPTJWUBPQJISBZ-UONOGXRCSA-N 2 0 346.497 -0.685 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176058146 832655156 /nfs/dbraw/zinc/65/51/56/832655156.db2.gz VLCXCLIVSGASCQ-CYBMUJFWSA-N 2 0 334.486 -0.637 20 0 EBADRP CC(C)OCCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176089390 832656440 /nfs/dbraw/zinc/65/64/40/832656440.db2.gz YKVCEQVHILGTFW-OAHLLOKOSA-N 2 0 342.484 -0.035 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)C[NH+]1CCCC1)C(=O)Nc1ncccn1 ZINC001176103037 832657233 /nfs/dbraw/zinc/65/72/33/832657233.db2.gz OFYPPDLBFWJLID-CYBMUJFWSA-N 2 0 334.424 -0.005 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176118256 832658021 /nfs/dbraw/zinc/65/80/21/832658021.db2.gz MIGSVADFMIONBU-CQSZACIVSA-N 2 0 328.457 -0.281 20 0 EBADRP CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176160427 832660073 /nfs/dbraw/zinc/66/00/73/832660073.db2.gz FBAWLSPLCNNMNF-LSDHHAIUSA-N 2 0 342.484 -0.035 20 0 EBADRP C[C@H](CCCC[NH2+]CC(=O)N(C)C)NC(=O)COCC[NH+](C)C ZINC001176156151 832660260 /nfs/dbraw/zinc/66/02/60/832660260.db2.gz GXNIPTDQWUKCHG-CQSZACIVSA-N 2 0 330.473 -0.083 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001176161430 832660451 /nfs/dbraw/zinc/66/04/51/832660451.db2.gz PRQLCCMHKOFLHB-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CCN1CCCC1=O ZINC001176162714 832661234 /nfs/dbraw/zinc/66/12/34/832661234.db2.gz YNWLEWXONJIJRE-HNNXBMFYSA-N 2 0 340.468 -0.327 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001176856595 832696509 /nfs/dbraw/zinc/69/65/09/832696509.db2.gz LQHRIDMNOQNGJJ-CHWSQXEVSA-N 2 0 334.486 -0.496 20 0 EBADRP O=C(CCC[NH+]1CCCC1)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001176884962 832701034 /nfs/dbraw/zinc/70/10/34/832701034.db2.gz XHCITKBALWJRHF-UHFFFAOYSA-N 2 0 339.440 -0.490 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCCNC(=O)CC[NH+]1CCCCC1 ZINC001176930095 832712048 /nfs/dbraw/zinc/71/20/48/832712048.db2.gz DGCSCHXTENHPOI-MRXNPFEDSA-N 2 0 345.484 -0.018 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)CC[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001176936592 832713447 /nfs/dbraw/zinc/71/34/47/832713447.db2.gz BKCRSTGDQAJHBB-GFCCVEGCSA-N 2 0 327.429 -0.458 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001176975017 832723130 /nfs/dbraw/zinc/72/31/30/832723130.db2.gz HFYQMQGYDCFEDQ-UHFFFAOYSA-N 2 0 336.502 -0.296 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)NC1CCOCC1 ZINC001176980613 832724057 /nfs/dbraw/zinc/72/40/57/832724057.db2.gz LRQICFJKTZSXRV-UHFFFAOYSA-N 2 0 328.457 -0.282 20 0 EBADRP NC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001178535437 832879463 /nfs/dbraw/zinc/87/94/63/832879463.db2.gz JNTVWGUWIQSIFN-KBPBESRZSA-N 2 0 326.441 -0.399 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001178689802 832900916 /nfs/dbraw/zinc/90/09/16/832900916.db2.gz ZUWLRPIYQUITOF-RWMBFGLXSA-N 2 0 339.440 -0.367 20 0 EBADRP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001178716746 832904764 /nfs/dbraw/zinc/90/47/64/832904764.db2.gz VYAYBPAOCIVYDW-XZDPQHSOSA-N 2 0 325.453 -0.086 20 0 EBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001178716743 832905039 /nfs/dbraw/zinc/90/50/39/832905039.db2.gz VYAYBPAOCIVYDW-HNKHHVNMSA-N 2 0 325.453 -0.086 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001187106806 833900728 /nfs/dbraw/zinc/90/07/28/833900728.db2.gz MIKKWFDVPFBSAM-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)N1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)C1=O ZINC001187106778 833901491 /nfs/dbraw/zinc/90/14/91/833901491.db2.gz LMQVEUSAXVSKAS-HUUCEWRRSA-N 2 0 340.468 -0.236 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCCCOC)C1 ZINC001187290944 833916102 /nfs/dbraw/zinc/91/61/02/833916102.db2.gz DQDBYGQHOIDCBX-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001187323035 833919354 /nfs/dbraw/zinc/91/93/54/833919354.db2.gz VCHUJVHXNPUXDS-ZIAGYGMSSA-N 2 0 331.482 -0.047 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001187321497 833919720 /nfs/dbraw/zinc/91/97/20/833919720.db2.gz AVKHNXOVHSMWEH-CYBMUJFWSA-N 2 0 339.440 -0.539 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001187323034 833919780 /nfs/dbraw/zinc/91/97/80/833919780.db2.gz VCHUJVHXNPUXDS-UONOGXRCSA-N 2 0 331.482 -0.047 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(=O)NC3CC3)C2)C1 ZINC001187825229 833971705 /nfs/dbraw/zinc/97/17/05/833971705.db2.gz GUBRBPJCBDRNDU-WCQYABFASA-N 2 0 337.424 -0.883 20 0 EBADRP CN(CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001187826407 833971732 /nfs/dbraw/zinc/97/17/32/833971732.db2.gz ZOLUPQRRZOLOGE-QWHCGFSZSA-N 2 0 332.470 -0.980 20 0 EBADRP CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001187851327 833973046 /nfs/dbraw/zinc/97/30/46/833973046.db2.gz PKXARWMBRNTIAT-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187843171 833973438 /nfs/dbraw/zinc/97/34/38/833973438.db2.gz WFCUUFJAAZOYCM-CABCVRRESA-N 2 0 329.441 -0.703 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CCOCCO)C[C@H]32)CC[N@@H+]1C ZINC001187958082 833988410 /nfs/dbraw/zinc/98/84/10/833988410.db2.gz IBQRUVOSAXOBBX-QKPAOTATSA-N 2 0 325.453 -0.132 20 0 EBADRP O=C(CCC[NH+]1CCCC1)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001188106783 834004938 /nfs/dbraw/zinc/00/49/38/834004938.db2.gz WPHWSSIAXFGSCC-KGLIPLIRSA-N 2 0 336.436 -0.142 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001189026120 834117356 /nfs/dbraw/zinc/11/73/56/834117356.db2.gz IJHMGXJKCWLLPJ-HRCADAONSA-N 2 0 335.452 -0.272 20 0 EBADRP Cn1nncc1CN1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801360 834193736 /nfs/dbraw/zinc/19/37/36/834193736.db2.gz DGOISPWNJCZKRP-DZGCQCFKSA-N 2 0 336.440 -0.574 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001190370639 834262216 /nfs/dbraw/zinc/26/22/16/834262216.db2.gz ITDOUCGNYROXJT-LSDHHAIUSA-N 2 0 337.468 -0.116 20 0 EBADRP CO[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374363 837759373 /nfs/dbraw/zinc/75/93/73/837759373.db2.gz CSICWHLOPUDBDX-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192152757 834618388 /nfs/dbraw/zinc/61/83/88/834618388.db2.gz IWLBSKHOQYPGDM-RYUDHWBXSA-N 2 0 327.429 -0.685 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)C[C@H](O)CN2CCCC2=O)C1 ZINC001192170106 834621364 /nfs/dbraw/zinc/62/13/64/834621364.db2.gz HIVKBDJGSDHNCY-GJZGRUSLSA-N 2 0 340.468 -0.546 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@H]([N@H+](C)[C@H](C)C(=O)NC(=O)NC)C1 ZINC001192948596 834769582 /nfs/dbraw/zinc/76/95/82/834769582.db2.gz TXWRLWBBPKDAHD-OLZOCXBDSA-N 2 0 341.456 -0.295 20 0 EBADRP CNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001193077931 834791270 /nfs/dbraw/zinc/79/12/70/834791270.db2.gz OYLSHYHGGMTBEE-KBPBESRZSA-N 2 0 340.468 -0.236 20 0 EBADRP C[C@@H](C(=O)NC1CC1)[N@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487803 834887198 /nfs/dbraw/zinc/88/71/98/834887198.db2.gz FZRQUETXJZIYDO-ZFWWWQNUSA-N 2 0 340.468 -0.236 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193499976 834891422 /nfs/dbraw/zinc/89/14/22/834891422.db2.gz NHSCFCWTPVTKFG-NWDGAFQWSA-N 2 0 337.424 -0.802 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)[C@@H](C)C(=O)NC(=O)NC)C1 ZINC001193643347 834921198 /nfs/dbraw/zinc/92/11/98/834921198.db2.gz SQZUPTYSMGXXCS-QWHCGFSZSA-N 2 0 341.456 -0.295 20 0 EBADRP CCOC(=O)CN(CC[NH3+])C(=O)c1cncc(N2CC[NH+](C)CC2)c1 ZINC001193951750 834987381 /nfs/dbraw/zinc/98/73/81/834987381.db2.gz MVWJMSNAWJVAIR-UHFFFAOYSA-N 2 0 349.435 -0.203 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194039167 835004499 /nfs/dbraw/zinc/00/44/99/835004499.db2.gz LBQOEOYOUQLYBW-STQMWFEESA-N 2 0 339.440 -0.541 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]2O)CC1 ZINC001195661219 835267762 /nfs/dbraw/zinc/26/77/62/835267762.db2.gz JZDDCUGHTOVJDO-RRFJBIMHSA-N 2 0 325.453 -0.084 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]2O)CC1 ZINC001195677536 835271727 /nfs/dbraw/zinc/27/17/27/835271727.db2.gz SBQQYUPGXBPOFZ-BFHYXJOUSA-N 2 0 348.451 -0.732 20 0 EBADRP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196250981 835379532 /nfs/dbraw/zinc/37/95/32/835379532.db2.gz DFDRXNNJRCRYJY-BZUAXINKSA-N 2 0 343.468 -0.315 20 0 EBADRP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196797936 835464600 /nfs/dbraw/zinc/46/46/00/835464600.db2.gz HWCHENSKGPYAMV-HUUCEWRRSA-N 2 0 339.440 -0.744 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[N@H+](C[C@H](O)CN2CCCC2=O)CC1 ZINC001197044821 835498747 /nfs/dbraw/zinc/49/87/47/835498747.db2.gz WTEFWQUSYHYUOG-HNNXBMFYSA-N 2 0 340.468 -0.544 20 0 EBADRP C[C@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319645 835537606 /nfs/dbraw/zinc/53/76/06/835537606.db2.gz MYUQSABTKVEHEN-NUEKZKHPSA-N 2 0 343.468 -0.581 20 0 EBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001197319682 835537621 /nfs/dbraw/zinc/53/76/21/835537621.db2.gz OKJYYBLDBFNDET-NUEKZKHPSA-N 2 0 341.452 -0.705 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1O ZINC001197528033 835571066 /nfs/dbraw/zinc/57/10/66/835571066.db2.gz FLBPJVNLWLVQIM-HUUCEWRRSA-N 2 0 336.436 -0.612 20 0 EBADRP COCCOC[C@@H](O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001198097923 835641750 /nfs/dbraw/zinc/64/17/50/835641750.db2.gz MBAQMVUYHGVPHO-CVEARBPZSA-N 2 0 343.468 -0.504 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC[N@H+](CCOCCO)CC1 ZINC001198113232 835642367 /nfs/dbraw/zinc/64/23/67/835642367.db2.gz OZLPHKXMFNBQAC-INIZCTEOSA-N 2 0 343.468 -0.502 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001200116259 835910669 /nfs/dbraw/zinc/91/06/69/835910669.db2.gz VGXCSJTVBLFPQU-KGLIPLIRSA-N 2 0 347.481 -0.668 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001200116256 835911427 /nfs/dbraw/zinc/91/14/27/835911427.db2.gz VGXCSJTVBLFPQU-KBPBESRZSA-N 2 0 347.481 -0.668 20 0 EBADRP CC(C)(C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1)[NH+]1CCCCC1 ZINC001200509182 835977566 /nfs/dbraw/zinc/97/75/66/835977566.db2.gz FNXTVDVGAAQJAB-CQSZACIVSA-N 2 0 340.468 -0.057 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)n1 ZINC001200528448 835980562 /nfs/dbraw/zinc/98/05/62/835980562.db2.gz LCJDQRQDLKKJDP-AWEZNQCLSA-N 2 0 339.440 -0.742 20 0 EBADRP COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001200605758 835994736 /nfs/dbraw/zinc/99/47/36/835994736.db2.gz BEIQLORTECFAGC-HZPDHXFCSA-N 2 0 325.453 -0.084 20 0 EBADRP CC[C@H]([NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCCO1)C(N)=O ZINC001200687708 836015770 /nfs/dbraw/zinc/01/57/70/836015770.db2.gz GCPNHOSLHIVBJN-KGLIPLIRSA-N 2 0 340.468 -0.058 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCCO1 ZINC001200688784 836016756 /nfs/dbraw/zinc/01/67/56/836016756.db2.gz VZIOVJDPCUTJOJ-CABCVRRESA-N 2 0 343.468 -0.315 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCCO1 ZINC001200736875 836026809 /nfs/dbraw/zinc/02/68/09/836026809.db2.gz GGEUTDXNGGTSQQ-ZFWWWQNUSA-N 2 0 328.457 -0.474 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCCO1 ZINC001200736873 836026870 /nfs/dbraw/zinc/02/68/70/836026870.db2.gz GGEUTDXNGGTSQQ-HIFRSBDPSA-N 2 0 328.457 -0.474 20 0 EBADRP CC[C@H](C(=O)N1CCCO[C@H](C[NH2+]CCOCCO)C1)[NH+](C)C ZINC001200794434 836035237 /nfs/dbraw/zinc/03/52/37/836035237.db2.gz CJQUKANAVZKAKK-HUUCEWRRSA-N 2 0 331.457 -0.457 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CCCO[C@H](C[NH2+]CCOCCO)C2)CC1 ZINC001201262966 836120059 /nfs/dbraw/zinc/12/00/59/836120059.db2.gz WMGCFIXCWQFEHX-OAHLLOKOSA-N 2 0 343.468 -0.456 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCCO[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001201277237 836122321 /nfs/dbraw/zinc/12/23/21/836122321.db2.gz OKWDIBAMVIRZNX-HNNXBMFYSA-N 2 0 338.456 -0.173 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1 ZINC001201327382 836129789 /nfs/dbraw/zinc/12/97/89/836129789.db2.gz MRKUNHPVHZRBNE-UHFFFAOYSA-N 2 0 348.513 -0.154 20 0 EBADRP CC(C)[C@H](C(=O)N1CCCO[C@H](C[NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001201343786 836132216 /nfs/dbraw/zinc/13/22/16/836132216.db2.gz LQGVHUIHDXSQJU-GDBMZVCRSA-N 2 0 342.484 -0.132 20 0 EBADRP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCCO1 ZINC001201343519 836132393 /nfs/dbraw/zinc/13/23/93/836132393.db2.gz HUDUTJNEJOYDBE-ARFHVFGLSA-N 2 0 345.484 -0.213 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001201403086 836141339 /nfs/dbraw/zinc/14/13/39/836141339.db2.gz HMXFUKYUIMFMMF-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[C@@H](C(=O)N1CCCO[C@H](C[NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001201410292 836142320 /nfs/dbraw/zinc/14/23/20/836142320.db2.gz FVKZIWNLSXYCDH-KGLIPLIRSA-N 2 0 328.457 -0.378 20 0 EBADRP C[C@@H]([NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CCCO1)C(N)=O ZINC001201419479 836143145 /nfs/dbraw/zinc/14/31/45/836143145.db2.gz FUAHMDCGTADSKL-KGLIPLIRSA-N 2 0 340.468 -0.201 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCCO1 ZINC001201568207 836160748 /nfs/dbraw/zinc/16/07/48/836160748.db2.gz DROOJYUXUOXILK-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCCO[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001201808881 836196220 /nfs/dbraw/zinc/19/62/20/836196220.db2.gz IMOSSWISFQQGBH-HNNXBMFYSA-N 2 0 338.456 -0.173 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCCO[C@H](C[NH2+]CCOCCO)C1 ZINC001201809207 836196235 /nfs/dbraw/zinc/19/62/35/836196235.db2.gz KTHOMQKJICRBGJ-OAHLLOKOSA-N 2 0 331.457 -0.456 20 0 EBADRP CC[C@H]([NH2+]C[C@H]1CN(C(=O)COCC[NH+](C)C)CCCO1)C(N)=O ZINC001201864474 836208765 /nfs/dbraw/zinc/20/87/65/836208765.db2.gz XVKBCJGMODBNMW-KBPBESRZSA-N 2 0 344.456 -0.964 20 0 EBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCCO1)C(N)=O ZINC001201891093 836211248 /nfs/dbraw/zinc/21/12/48/836211248.db2.gz JIVUFQYHBHWDCJ-ZIAGYGMSSA-N 2 0 328.457 -0.201 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)CCCO1 ZINC001201908632 836214056 /nfs/dbraw/zinc/21/40/56/836214056.db2.gz NRIWGCGLIYUJLQ-CVEARBPZSA-N 2 0 345.484 -0.067 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001201925344 836216787 /nfs/dbraw/zinc/21/67/87/836216787.db2.gz ZGMQFHVMBMOYGJ-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001201930631 836218723 /nfs/dbraw/zinc/21/87/23/836218723.db2.gz GEGNTVXDZSCHHO-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCCO[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001201932013 836218812 /nfs/dbraw/zinc/21/88/12/836218812.db2.gz QSDKQHMGMZYUHP-HNNXBMFYSA-N 2 0 338.456 -0.173 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202049395 836242033 /nfs/dbraw/zinc/24/20/33/836242033.db2.gz NCYGOHQDJBUJSY-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001202057166 836242292 /nfs/dbraw/zinc/24/22/92/836242292.db2.gz DOMOGPJNTBGCRT-GJZGRUSLSA-N 2 0 338.452 -0.623 20 0 EBADRP CC[C@@H]([NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1)C(N)=O ZINC001202057181 836242483 /nfs/dbraw/zinc/24/24/83/836242483.db2.gz DRJOQXVHLASLAO-UONOGXRCSA-N 2 0 326.441 -0.447 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202057148 836243224 /nfs/dbraw/zinc/24/32/24/836243224.db2.gz CWVCLATWPHQVSE-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NC3CC3)C2)C1 ZINC001202059428 836244848 /nfs/dbraw/zinc/24/48/48/836244848.db2.gz PLXHNXOSQMNXSM-HIFRSBDPSA-N 2 0 338.452 -0.576 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202058230 836245705 /nfs/dbraw/zinc/24/57/05/836245705.db2.gz IQCXDHHBMUYPDW-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202058231 836245858 /nfs/dbraw/zinc/24/58/58/836245858.db2.gz IQCXDHHBMUYPDW-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCCO[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001202060398 836247003 /nfs/dbraw/zinc/24/70/03/836247003.db2.gz WZVCSAZLZQYXFX-HNNXBMFYSA-N 2 0 336.440 -0.419 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CCCO1 ZINC001202134033 836259620 /nfs/dbraw/zinc/25/96/20/836259620.db2.gz KQARPGGSRBRZJS-HNNXBMFYSA-N 2 0 340.468 -0.185 20 0 EBADRP CC[C@@H]([NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCCO1)C(N)=O ZINC001202165492 836266377 /nfs/dbraw/zinc/26/63/77/836266377.db2.gz RKVGNPGFIUGOGC-UONOGXRCSA-N 2 0 328.457 -0.202 20 0 EBADRP C[C@H]([NH2+]C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1)C(=O)NC(N)=O ZINC001202224883 836278224 /nfs/dbraw/zinc/27/82/24/836278224.db2.gz KRUXGTJNFLVWGS-NSHDSACASA-N 2 0 339.440 -0.508 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001202496150 836307921 /nfs/dbraw/zinc/30/79/21/836307921.db2.gz OYISSJNCQHWOHY-LLVKDONJSA-N 2 0 325.413 -0.896 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC([NH2+]CCNS(C)(=O)=O)CC2)C1 ZINC001202496712 836308601 /nfs/dbraw/zinc/30/86/01/836308601.db2.gz VIEJQKZZFTUHNB-CYBMUJFWSA-N 2 0 346.497 -0.542 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001202532214 836313779 /nfs/dbraw/zinc/31/37/79/836313779.db2.gz VKXAUYXQPKSJEW-ZDUSSCGKSA-N 2 0 341.456 -0.247 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001203078258 836394185 /nfs/dbraw/zinc/39/41/85/836394185.db2.gz GJJGARLBJFRNSI-ZDUSSCGKSA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC([NH2+]CC(=O)N2CCC2)CC1 ZINC001203348688 836423382 /nfs/dbraw/zinc/42/33/82/836423382.db2.gz BOTUGPGJWQKKSR-UHFFFAOYSA-N 2 0 326.441 -0.623 20 0 EBADRP COCCOCC[NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001203348675 836423641 /nfs/dbraw/zinc/42/36/41/836423641.db2.gz BGLSWTRXXKAIPK-UHFFFAOYSA-N 2 0 331.457 -0.192 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)C12CCC2 ZINC001203359156 836426316 /nfs/dbraw/zinc/42/63/16/836426316.db2.gz OOPNZDJAXDZEOI-OLZOCXBDSA-N 2 0 346.497 -0.496 20 0 EBADRP COCCCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001203699439 836462490 /nfs/dbraw/zinc/46/24/90/836462490.db2.gz LZPPPURNRMADCK-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP CS(=O)(=O)NCC[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001203714235 836466851 /nfs/dbraw/zinc/46/68/51/836466851.db2.gz JAGNGYYJYZEOLL-UHFFFAOYSA-N 2 0 332.470 -0.788 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203790906 836478353 /nfs/dbraw/zinc/47/83/53/836478353.db2.gz ABYUCFJBAYWXBO-VXGBXAGGSA-N 2 0 339.440 -0.462 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001203853796 836483335 /nfs/dbraw/zinc/48/33/35/836483335.db2.gz YKJCQCJDCJZNEB-VXGBXAGGSA-N 2 0 339.440 -0.365 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)Cn2ccnc2)CC1 ZINC001204092621 836498616 /nfs/dbraw/zinc/49/86/16/836498616.db2.gz NEGLLWPBVIPHPM-LLVKDONJSA-N 2 0 336.396 -0.692 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001206138590 836626138 /nfs/dbraw/zinc/62/61/38/836626138.db2.gz QERIYLBKWZVSNA-LBPRGKRZSA-N 2 0 341.456 -0.390 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC(C[NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001206642100 836664442 /nfs/dbraw/zinc/66/44/42/836664442.db2.gz RUVKCUVOGJYCAX-UHFFFAOYSA-N 2 0 338.456 -0.222 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001206928856 836716279 /nfs/dbraw/zinc/71/62/79/836716279.db2.gz LHVMGLWMTFSMPI-UHFFFAOYSA-N 2 0 325.413 -0.895 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001206953673 836728061 /nfs/dbraw/zinc/72/80/61/836728061.db2.gz YUGDFAQZXMJXQA-UHFFFAOYSA-N 2 0 341.456 -0.390 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001207683618 836843465 /nfs/dbraw/zinc/84/34/65/836843465.db2.gz FVFXVIDJCKBAFC-KBPBESRZSA-N 2 0 346.497 -0.400 20 0 EBADRP CN(CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)S(C)(=O)=O ZINC001207688446 836846260 /nfs/dbraw/zinc/84/62/60/836846260.db2.gz PHVHZMXKASSZBS-ZIAGYGMSSA-N 2 0 346.497 -0.447 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070377 836940192 /nfs/dbraw/zinc/94/01/92/836940192.db2.gz KLZLFIKYYBYLRD-JHJVBQTASA-N 2 0 339.440 -0.637 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001208073095 836940692 /nfs/dbraw/zinc/94/06/92/836940692.db2.gz BQYWMUVEAVPPIU-FRRDWIJNSA-N 2 0 339.440 -0.508 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001208070078 836941311 /nfs/dbraw/zinc/94/13/11/836941311.db2.gz CNGIWKSCDAOPGL-HZSPNIEDSA-N 2 0 331.482 -0.048 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208279351 836981216 /nfs/dbraw/zinc/98/12/16/836981216.db2.gz OBHUDZZNJZJAPT-QWHCGFSZSA-N 2 0 339.440 -0.364 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001208372969 837011667 /nfs/dbraw/zinc/01/16/67/837011667.db2.gz FKKWNOVCKOCPSX-KGLIPLIRSA-N 2 0 348.513 -0.298 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001208448394 837044521 /nfs/dbraw/zinc/04/45/21/837044521.db2.gz ZNAHDVJUVAVZSY-RYUDHWBXSA-N 2 0 341.456 -0.119 20 0 EBADRP C[N@H+](CCN1CC[NH+](C)CC1)C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO ZINC001209275620 837148626 /nfs/dbraw/zinc/14/86/26/837148626.db2.gz FNZQUOFNMRWCFE-QLFBSQMISA-N 2 0 331.457 -0.961 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001209303447 837154004 /nfs/dbraw/zinc/15/40/04/837154004.db2.gz JXEFSOHWEBGYNR-LLVKDONJSA-N 2 0 325.413 -0.896 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001209446478 837167661 /nfs/dbraw/zinc/16/76/61/837167661.db2.gz RQHCJVZNBFSPDN-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+][C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)CCO1 ZINC001209456248 837169483 /nfs/dbraw/zinc/16/94/83/837169483.db2.gz YEXYOZLXEVDVOU-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+](CC)CC ZINC001209615105 837182366 /nfs/dbraw/zinc/18/23/66/837182366.db2.gz SEFYGRNZWMNXTK-STQMWFEESA-N 2 0 341.456 -0.118 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C ZINC001209635932 837184427 /nfs/dbraw/zinc/18/44/27/837184427.db2.gz ZUTUYCUYGMSCFB-ZIAGYGMSSA-N 2 0 325.457 -0.210 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001209670186 837188402 /nfs/dbraw/zinc/18/84/02/837188402.db2.gz XMWBENJEDBMERH-STQMWFEESA-N 2 0 341.456 -0.247 20 0 EBADRP C[C@@H](COCC(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001209714656 837193224 /nfs/dbraw/zinc/19/32/24/837193224.db2.gz ADERBVTWNGYOHY-KBPBESRZSA-N 2 0 326.441 -0.447 20 0 EBADRP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001209715781 837193966 /nfs/dbraw/zinc/19/39/66/837193966.db2.gz LFUBQGYETZDFGZ-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001210220804 837255925 /nfs/dbraw/zinc/25/59/25/837255925.db2.gz WXWUTBVSFRWVLW-GFCCVEGCSA-N 2 0 327.429 -0.636 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001210228389 837257248 /nfs/dbraw/zinc/25/72/48/837257248.db2.gz IDLIOGFKUCEFDD-CQSZACIVSA-N 2 0 325.457 -0.066 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]C[C@H](O)COCCOC)C1 ZINC001210494306 837290174 /nfs/dbraw/zinc/29/01/74/837290174.db2.gz UMDQEJLKECUWIL-CVEARBPZSA-N 2 0 345.484 -0.067 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001210539203 837295081 /nfs/dbraw/zinc/29/50/81/837295081.db2.gz XCUZMOHOMYSNFL-ZIAGYGMSSA-N 2 0 338.452 -0.086 20 0 EBADRP CCn1nncc1C[NH2+][C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210678969 837317834 /nfs/dbraw/zinc/31/78/34/837317834.db2.gz ZBWNYTTUMREMII-CQSZACIVSA-N 2 0 338.456 -0.043 20 0 EBADRP O=C(N1CCC[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001210685767 837319760 /nfs/dbraw/zinc/31/97/60/837319760.db2.gz YURVYSZZOKINBQ-HOTGVXAUSA-N 2 0 347.463 -0.080 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001210774015 837329945 /nfs/dbraw/zinc/32/99/45/837329945.db2.gz QMFDOQOUWDDXPN-CYBMUJFWSA-N 2 0 338.456 -0.079 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211064755 837379103 /nfs/dbraw/zinc/37/91/03/837379103.db2.gz QLFMPIVABLNWLA-STQMWFEESA-N 2 0 339.440 -0.636 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211064753 837379864 /nfs/dbraw/zinc/37/98/64/837379864.db2.gz QLFMPIVABLNWLA-QWHCGFSZSA-N 2 0 339.440 -0.636 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211082282 837383516 /nfs/dbraw/zinc/38/35/16/837383516.db2.gz RJDBEIWYDAIHHV-GFCCVEGCSA-N 2 0 325.413 -0.882 20 0 EBADRP COCCOCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730641 837854782 /nfs/dbraw/zinc/85/47/82/837854782.db2.gz UGHVEXSENWZRGM-HUUCEWRRSA-N 2 0 347.456 -0.957 20 0 EBADRP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]CCN1C(=O)CCC1=O ZINC001319229287 838091127 /nfs/dbraw/zinc/09/11/27/838091127.db2.gz NFAFXGHJCLLFGN-KGLIPLIRSA-N 2 0 338.452 -0.038 20 0 EBADRP CCn1cc(CC[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1 ZINC001320232241 838717465 /nfs/dbraw/zinc/71/74/65/838717465.db2.gz NSCUOHJOIAFNBM-VNQPRFMTSA-N 2 0 337.468 -0.148 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CCNC(=O)NC(C)(C)C)C1 ZINC001320316539 838756737 /nfs/dbraw/zinc/75/67/37/838756737.db2.gz YEAAJPFKNPFAHX-STQMWFEESA-N 2 0 343.472 -0.898 20 0 EBADRP C[C@H](CC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001320450670 838772774 /nfs/dbraw/zinc/77/27/74/838772774.db2.gz QLHCOAMSLVGCIZ-OLZOCXBDSA-N 2 0 338.456 -0.033 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001320999972 838879764 /nfs/dbraw/zinc/87/97/64/838879764.db2.gz XAVYMTSKEIQFGU-KBIXYVOKSA-N 2 0 325.413 -0.813 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NC(N)=O ZINC001321137500 838919586 /nfs/dbraw/zinc/91/95/86/838919586.db2.gz SGPWWFHCIAUBDA-DHCBQETCSA-N 2 0 339.440 -0.436 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)C[NH+]1CCCC1 ZINC001321405584 838985792 /nfs/dbraw/zinc/98/57/92/838985792.db2.gz SVMSESZOTQNJFB-ONEGZZNKSA-N 2 0 325.413 -0.810 20 0 EBADRP C[C@H](C[NH2+]CCN(C)S(C)(=O)=O)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001321522229 839009970 /nfs/dbraw/zinc/00/99/70/839009970.db2.gz GXJNKVIQQTWYBS-TZMCWYRMSA-N 2 0 346.497 -0.686 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CCN1C(=O)CCC1=O)[NH+](C)C ZINC001321549192 839016128 /nfs/dbraw/zinc/01/61/28/839016128.db2.gz AKYHODABVFVIHJ-DOMZBBRYSA-N 2 0 326.441 -0.184 20 0 EBADRP CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)CCN1C(=O)CCC1=O)[NH+](C)C ZINC001322281338 839166174 /nfs/dbraw/zinc/16/61/74/839166174.db2.gz NUCTZBFKDRDWTE-OLZOCXBDSA-N 2 0 326.441 -0.088 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001322810925 839272329 /nfs/dbraw/zinc/27/23/29/839272329.db2.gz JGDKICOHVZQHOD-CABCVRRESA-N 2 0 338.452 -0.480 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001323349470 839422569 /nfs/dbraw/zinc/42/25/69/839422569.db2.gz ALINBXNVUASMEF-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001324936736 839737595 /nfs/dbraw/zinc/73/75/95/839737595.db2.gz HFXMUDRRQWPYHN-HNNXBMFYSA-N 3 0 341.500 -0.652 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CCOCCO)C1 ZINC001325096431 839777282 /nfs/dbraw/zinc/77/72/82/839777282.db2.gz IACJKYMIJLBLFT-NVXWUHKLSA-N 2 0 343.468 -0.579 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc(F)n1 ZINC001325193888 839814908 /nfs/dbraw/zinc/81/49/08/839814908.db2.gz RCGNOVNCRXUBAH-UHFFFAOYSA-N 2 0 339.415 -0.211 20 0 EBADRP C[C@@H](O)C[NH2+]CCN(CCO)C(=O)[C@@H]1COCCN1C1CCCC1 ZINC001326080145 840026329 /nfs/dbraw/zinc/02/63/29/840026329.db2.gz OPVQAGOGLXPDNN-ZBFHGGJFSA-N 2 0 343.468 -0.579 20 0 EBADRP O=C(N(CCO)CC[NH2+]CC[C@@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001326134430 840043231 /nfs/dbraw/zinc/04/32/31/840043231.db2.gz DRMIIQHESDNPTK-OAHLLOKOSA-N 2 0 325.453 -0.081 20 0 EBADRP C[N@H+](CC(=O)N1CC[C@@H](CC[NH2+]CC(=O)NC(N)=O)C1)C1CCC1 ZINC001326290188 840081942 /nfs/dbraw/zinc/08/19/42/840081942.db2.gz UNSYQXVSZMESBF-GFCCVEGCSA-N 2 0 339.440 -0.506 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C)C2)cn1 ZINC001326740873 840191118 /nfs/dbraw/zinc/19/11/18/840191118.db2.gz KLNKXNGDFSHHSO-ZDUSSCGKSA-N 2 0 336.440 -0.159 20 0 EBADRP O=C(NCC1CC[NH2+]CC1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001327485607 840433623 /nfs/dbraw/zinc/43/36/23/840433623.db2.gz MNSPQKMZLDDWCW-HNNXBMFYSA-N 2 0 338.452 -0.528 20 0 EBADRP CN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)[C@@H](C[NH3+])C1 ZINC001327505973 840439114 /nfs/dbraw/zinc/43/91/14/840439114.db2.gz VUSQSHCUQHNKSX-MJBXVCDLSA-N 2 0 325.457 -0.923 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)NCCCN3CC[NH2+]CC3)C[C@H]2[NH3+])cn1 ZINC001327962535 840558439 /nfs/dbraw/zinc/55/84/39/840558439.db2.gz XOWQYYTWCBCASW-LSDHHAIUSA-N 2 0 335.456 -0.849 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CCC(O)(C[NH2+]CCCO)CC2)CC1 ZINC001328204780 840619768 /nfs/dbraw/zinc/61/97/68/840619768.db2.gz AIPDOBJVJGUEMQ-UHFFFAOYSA-N 2 0 343.468 -0.577 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@H]([NH2+]C)C2)CC1 ZINC001328352157 840659304 /nfs/dbraw/zinc/65/93/04/840659304.db2.gz TWVQLAUHWCAJNP-AWEZNQCLSA-N 2 0 325.457 -0.020 20 0 EBADRP O=C(NCCC[NH2+]C1CC1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001328368258 840663568 /nfs/dbraw/zinc/66/35/68/840663568.db2.gz PAGCGSVNULJPEG-HNNXBMFYSA-N 2 0 338.452 -0.386 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CCNS(C)(=O)=O)C1 ZINC001328671394 840727117 /nfs/dbraw/zinc/72/71/17/840727117.db2.gz AGPKBIRNDAHCLL-KGLIPLIRSA-N 2 0 346.497 -0.542 20 0 EBADRP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)CC[N@@H+]1C ZINC001328818514 840759675 /nfs/dbraw/zinc/75/96/75/840759675.db2.gz XLPMEGMDUKHSPC-QLFBSQMISA-N 2 0 339.484 -0.711 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001329071679 840833703 /nfs/dbraw/zinc/83/37/03/840833703.db2.gz YYPCMVAMYPFHTB-GZBFAFLISA-N 2 0 338.452 -0.530 20 0 EBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC001330005340 841088947 /nfs/dbraw/zinc/08/89/47/841088947.db2.gz YNIHOZCAHOGBJA-AWEZNQCLSA-N 2 0 348.403 -0.710 20 0 EBADRP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H]1CCOC1 ZINC001330209090 841143718 /nfs/dbraw/zinc/14/37/18/841143718.db2.gz NOSGKADQAQVVTG-KBPBESRZSA-N 2 0 328.457 -0.521 20 0 EBADRP COCC[NH2+][C@@H](C)[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CCO1 ZINC001330421916 841195872 /nfs/dbraw/zinc/19/58/72/841195872.db2.gz BATAEXMXYCLPEN-GOEBONIOSA-N 2 0 343.468 -0.051 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001330524197 841227822 /nfs/dbraw/zinc/22/78/22/841227822.db2.gz CDGWPZJJWTYBLB-QWHCGFSZSA-N 2 0 326.441 -0.672 20 0 EBADRP C[C@H](CCC[NH2+][C@H](C)C(=O)NC(N)=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001330834415 841279353 /nfs/dbraw/zinc/27/93/53/841279353.db2.gz CEKFCQBEVBCYCV-VXGBXAGGSA-N 2 0 341.456 -0.071 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC001331314228 841390049 /nfs/dbraw/zinc/39/00/49/841390049.db2.gz HWUCHVMDEYATMQ-UHFFFAOYSA-N 2 0 328.457 -0.377 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC001331319550 841392224 /nfs/dbraw/zinc/39/22/24/841392224.db2.gz NZKKPNQPCCUZBD-ZDUSSCGKSA-N 2 0 348.451 -0.697 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001331588878 841433098 /nfs/dbraw/zinc/43/30/98/841433098.db2.gz LHQYDQMXMWNVCM-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP CC(C)NC(=O)NCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001331710919 841465261 /nfs/dbraw/zinc/46/52/61/841465261.db2.gz DKNNYFFOEKCSMU-MGPQQGTHSA-N 2 0 343.472 -0.899 20 0 EBADRP C[C@@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)CN1C(=O)CC[NH+](C)C ZINC001332028408 841553463 /nfs/dbraw/zinc/55/34/63/841553463.db2.gz NUPUZHBESBHVQV-NEPJUHHUSA-N 2 0 325.413 -0.931 20 0 EBADRP C[NH+]1CCC(n2cc(NC(=O)C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cn2)CC1 ZINC001332119654 841578181 /nfs/dbraw/zinc/57/81/81/841578181.db2.gz JHIPAAKBEYMQFY-WDNDVIMCSA-N 2 0 332.408 -0.578 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCn1cncn1 ZINC001332502321 841654423 /nfs/dbraw/zinc/65/44/23/841654423.db2.gz BLBKOJAYYGYPRD-GJZGRUSLSA-N 2 0 338.456 -0.440 20 0 EBADRP CC(C)[C@@H](C(=O)N(C)C1CC([NH2+]CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001333140875 841804295 /nfs/dbraw/zinc/80/42/95/841804295.db2.gz KNBHHZYYDMXVMX-RUXDESIVSA-N 2 0 348.513 -0.299 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)C1 ZINC001333376059 841861154 /nfs/dbraw/zinc/86/11/54/841861154.db2.gz RGABCMWFLCHSTO-BFHYXJOUSA-N 2 0 326.441 -0.593 20 0 EBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC001333377508 841861805 /nfs/dbraw/zinc/86/18/05/841861805.db2.gz XHDYRCWEDYCDBD-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC12CC[NH+](C)CC2 ZINC001334871496 842143295 /nfs/dbraw/zinc/14/32/95/842143295.db2.gz SUWIQXCPYRNRQT-UHFFFAOYSA-N 2 0 326.441 -0.623 20 0 EBADRP [NH3+][C@H]1CCc2ncc(NC(=O)C(=O)NCC[N@@H+]3CC[C@H](O)C3)cc2C1 ZINC001335201281 842222870 /nfs/dbraw/zinc/22/28/70/842222870.db2.gz IGTKTKPLCTYIMO-JSGCOSHPSA-N 2 0 347.419 -0.981 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+](C)CC(C)C ZINC001335216628 842228131 /nfs/dbraw/zinc/22/81/31/842228131.db2.gz MEOOYHAUHXQFAD-HNNXBMFYSA-N 2 0 342.484 -0.083 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC001335226424 842231216 /nfs/dbraw/zinc/23/12/16/842231216.db2.gz ZDIBGXJPSHMZAK-MQMHXKEQSA-N 2 0 326.441 -0.543 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001335301534 842255385 /nfs/dbraw/zinc/25/53/85/842255385.db2.gz INOOZELOIZBPNJ-KBPBESRZSA-N 2 0 326.441 -0.767 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001335301536 842255687 /nfs/dbraw/zinc/25/56/87/842255687.db2.gz INOOZELOIZBPNJ-UONOGXRCSA-N 2 0 326.441 -0.767 20 0 EBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC1 ZINC001335392168 842272840 /nfs/dbraw/zinc/27/28/40/842272840.db2.gz NPGRVMRZUYRBGK-CQSZACIVSA-N 2 0 338.452 -0.493 20 0 EBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)NCCN1CCC([NH3+])CC1 ZINC001335646139 842323618 /nfs/dbraw/zinc/32/36/18/842323618.db2.gz MDDYIHGNAHJVPG-UHFFFAOYSA-N 2 0 340.516 -0.312 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001337338149 842603801 /nfs/dbraw/zinc/60/38/01/842603801.db2.gz ITIGKGBFPMRLIF-MGPQQGTHSA-N 2 0 326.441 -0.687 20 0 EBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)C2)CC1 ZINC001337386697 842608296 /nfs/dbraw/zinc/60/82/96/842608296.db2.gz BNSJQENTKOESME-MGPQQGTHSA-N 2 0 337.468 -0.875 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC001337455949 842616462 /nfs/dbraw/zinc/61/64/62/842616462.db2.gz QSNNXLGCNQATRF-NWDGAFQWSA-N 2 0 348.394 -0.816 20 0 EBADRP CC[NH+](CC)C1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2COC)CC1 ZINC001337852957 842708961 /nfs/dbraw/zinc/70/89/61/842708961.db2.gz FFEKCLCUVPFXDA-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+]1CCN(CCC[NH2+]C[C@@H](O)CC2(O)CCOCC2)CC1 ZINC001338420660 842795785 /nfs/dbraw/zinc/79/57/85/842795785.db2.gz AHGNCQXKCYBMOX-INIZCTEOSA-N 2 0 329.485 -0.104 20 0 EBADRP CC[NH+]1CCN(CCC[NH2+]C[C@H](O)CC2(O)CCOCC2)CC1 ZINC001338420662 842796135 /nfs/dbraw/zinc/79/61/35/842796135.db2.gz AHGNCQXKCYBMOX-MRXNPFEDSA-N 2 0 329.485 -0.104 20 0 EBADRP CN1CC[NH2+]C[C@@H]1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001341957080 843129346 /nfs/dbraw/zinc/12/93/46/843129346.db2.gz FSRVFLNMTFGWDH-QGZVFWFLSA-N 3 0 345.491 0.000 20 0 EBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CC[C@H](CO)C3)C2)CC1 ZINC001342137410 843143482 /nfs/dbraw/zinc/14/34/82/843143482.db2.gz XZMNNAHVMDSHGP-UONOGXRCSA-N 2 0 338.452 -0.888 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1COC(C)(C)C1 ZINC001342346153 843155703 /nfs/dbraw/zinc/15/57/03/843155703.db2.gz JVEAOWVVZURYNR-CYBMUJFWSA-N 2 0 328.457 -0.378 20 0 EBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C1CC[NH2+]CC1 ZINC001342535985 843167838 /nfs/dbraw/zinc/16/78/38/843167838.db2.gz OCEOGLSYXOVOEF-NRSFXHEJSA-N 3 0 347.507 -0.198 20 0 EBADRP O=C(NCCCC[NH+]1CCOCC1)NCC[NH+]1CCC(O)CC1 ZINC001342848223 843184727 /nfs/dbraw/zinc/18/47/27/843184727.db2.gz PNJYMCDUGGHGDC-UHFFFAOYSA-N 2 0 328.457 -0.145 20 0 EBADRP O=C(C[C@@H]1CCC[NH2+]1)NCC[NH2+]CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC001343280081 843215815 /nfs/dbraw/zinc/21/58/15/843215815.db2.gz DPXKZFSDEYGVIX-KBPBESRZSA-N 3 0 325.457 -0.907 20 0 EBADRP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H]1CCCOC1 ZINC001343313507 843219700 /nfs/dbraw/zinc/21/97/00/843219700.db2.gz YTDGNTBBLGIRGM-CABCVRRESA-N 2 0 342.484 -0.131 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])C[NH+](C)C ZINC001345967434 843467055 /nfs/dbraw/zinc/46/70/55/843467055.db2.gz JXHFZJUYOSNTPJ-BFHYXJOUSA-N 2 0 328.457 -0.297 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)N[C@@H](C)[C@H]1C[NH+](C)CCN1C ZINC001346229289 843489480 /nfs/dbraw/zinc/48/94/80/843489480.db2.gz PGIYMBUJHBLZBH-LSDHHAIUSA-N 2 0 329.489 -0.112 20 0 EBADRP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NCCC[NH+]3CCC[C@H]3C(N)=O)[C@@H]2C1 ZINC001346533321 843527347 /nfs/dbraw/zinc/52/73/47/843527347.db2.gz XGGCDOFJOQTUEO-YJNKXOJESA-N 2 0 337.468 -0.034 20 0 EBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001347190246 843599033 /nfs/dbraw/zinc/59/90/33/843599033.db2.gz NPQUNRSXQKXNKJ-RDJZCZTQSA-N 2 0 335.496 -0.387 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC001348447874 843698395 /nfs/dbraw/zinc/69/83/95/843698395.db2.gz QSTPDKJRACHUAP-GJZGRUSLSA-N 2 0 339.484 -0.722 20 0 EBADRP CN1CCO[C@@H](C(=O)NCCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001348702795 843737769 /nfs/dbraw/zinc/73/77/69/843737769.db2.gz XNDXFWPATHVBHV-CQSZACIVSA-N 2 0 326.441 -0.575 20 0 EBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001348702770 843738170 /nfs/dbraw/zinc/73/81/70/843738170.db2.gz XBRUXFLPNAAOPM-CABCVRRESA-N 2 0 340.468 -0.473 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCNC(=O)c1cccc2nccn21 ZINC001349318957 843883729 /nfs/dbraw/zinc/88/37/29/843883729.db2.gz KQWKLPYYLWQGPD-UHFFFAOYSA-N 2 0 333.392 -0.242 20 0 EBADRP C/C(=C\C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001349919903 843949349 /nfs/dbraw/zinc/94/93/49/843949349.db2.gz PIEUQFBDYNVKJU-KKVQZGGDSA-N 2 0 346.475 -0.031 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001691087129 1125831706 /nfs/dbraw/zinc/83/17/06/1125831706.db2.gz HJGXMPOJTFWVEI-XQQFMLRXSA-N 2 0 332.470 -0.886 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)[NH+](C)C ZINC001691178148 1125841217 /nfs/dbraw/zinc/84/12/17/1125841217.db2.gz NVEJFKOYWNHUNE-ABHRYQDASA-N 2 0 338.452 -0.138 20 0 EBADRP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CCN1CCNC1=O ZINC001493332659 1125895741 /nfs/dbraw/zinc/89/57/41/1125895741.db2.gz SVMXAZROADWFIA-CQSZACIVSA-N 2 0 325.457 -0.209 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)Cn2ccnc2)C1 ZINC001481125489 1125927959 /nfs/dbraw/zinc/92/79/59/1125927959.db2.gz FSEDPAQOBPJYSE-NEPJUHHUSA-N 2 0 336.396 -0.835 20 0 EBADRP C[C@H](C(N)=O)N(CCNC(=O)C(C)(C)C[NH+]1CCOCC1)C1CC1 ZINC001481174358 1125933753 /nfs/dbraw/zinc/93/37/53/1125933753.db2.gz UHKALVQMZNKWLU-CYBMUJFWSA-N 2 0 340.468 -0.201 20 0 EBADRP CN(CC[NH2+]CC[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001481215468 1125945129 /nfs/dbraw/zinc/94/51/29/1125945129.db2.gz JNGPMPGCECIAKK-ZIAGYGMSSA-N 2 0 331.482 -0.047 20 0 EBADRP CN(CC[NH2+]CC(=O)NC1CC1)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001481245720 1125951715 /nfs/dbraw/zinc/95/17/15/1125951715.db2.gz GKGURRQLNRBBLM-UHFFFAOYSA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001481423740 1125985632 /nfs/dbraw/zinc/98/56/32/1125985632.db2.gz LMORQYXBONUGGN-NEPJUHHUSA-N 2 0 325.413 -0.896 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001481506414 1126004919 /nfs/dbraw/zinc/00/49/19/1126004919.db2.gz CRIKVDQJMBNGGM-CHWSQXEVSA-N 2 0 339.440 -0.554 20 0 EBADRP C[N@H+](CCNS(C)(=O)=O)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001481507038 1126005261 /nfs/dbraw/zinc/00/52/61/1126005261.db2.gz PVEHLLQFEKKPEJ-UONOGXRCSA-N 2 0 346.497 -0.732 20 0 EBADRP CNC(=O)NC(=O)CN1CC[C@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001481728255 1126046603 /nfs/dbraw/zinc/04/66/03/1126046603.db2.gz WQRGIFGCLKWZFI-ZDUSSCGKSA-N 2 0 339.440 -0.541 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC(CC[NH2+]CC(=O)NC(N)=O)CC1 ZINC001482007089 1126071708 /nfs/dbraw/zinc/07/17/08/1126071708.db2.gz OPMZVNGFIUXKSF-UHFFFAOYSA-N 2 0 341.456 -0.259 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC001482060698 1126074841 /nfs/dbraw/zinc/07/48/41/1126074841.db2.gz NMPDLMSEMVGPIK-OWCLPIDISA-N 2 0 335.452 -0.081 20 0 EBADRP C[C@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482282968 1126118743 /nfs/dbraw/zinc/11/87/43/1126118743.db2.gz HFZIXEQNSASTTH-MGPQQGTHSA-N 2 0 325.457 -0.212 20 0 EBADRP C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001482291695 1126121147 /nfs/dbraw/zinc/12/11/47/1126121147.db2.gz LZDMCDYUFQYAHA-ZDUSSCGKSA-N 2 0 348.513 -0.201 20 0 EBADRP C[C@H](C[NH2+]CC(=O)Nc1nncs1)N(C)C(=O)CC[NH+](C)C ZINC001482326991 1126132708 /nfs/dbraw/zinc/13/27/08/1126132708.db2.gz XIZVMXZQJPUOFJ-SNVBAGLBSA-N 2 0 328.442 -0.135 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001482330983 1126133263 /nfs/dbraw/zinc/13/32/63/1126133263.db2.gz NGSLJZUVNFWLMH-LLVKDONJSA-N 2 0 329.445 -0.404 20 0 EBADRP CC(C)C[C@H](CNCc1cn(C)nn1)NC(=O)[C@H]1CN(C)CCO1 ZINC001482378607 1126141767 /nfs/dbraw/zinc/14/17/67/1126141767.db2.gz IITQODRKNOGCTR-UKRRQHHQSA-N 2 0 338.456 -0.234 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001482431701 1126148910 /nfs/dbraw/zinc/14/89/10/1126148910.db2.gz DQOPNTGZUOZIKQ-OLZOCXBDSA-N 2 0 339.440 -0.684 20 0 EBADRP C[N@H+](CCNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21)C1CCCC1 ZINC001648970948 1126186706 /nfs/dbraw/zinc/18/67/06/1126186706.db2.gz DPBGOMGPJVWQEG-YUELXQCFSA-N 2 0 343.493 0.000 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]([NH2+][C@H]1CCC(=O)NC1=O)C(C)C ZINC001482565613 1126198297 /nfs/dbraw/zinc/19/82/97/1126198297.db2.gz JGIVAIRHVMGJKM-STQMWFEESA-N 2 0 326.441 -0.136 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001648976254 1126210468 /nfs/dbraw/zinc/21/04/68/1126210468.db2.gz KNLJMCMICWUYDQ-RDJZCZTQSA-N 2 0 326.485 -0.119 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCN1CCNC1=O ZINC001482686065 1126252294 /nfs/dbraw/zinc/25/22/94/1126252294.db2.gz IIYQSLNLBBCVQX-ZIAGYGMSSA-N 2 0 325.457 -0.162 20 0 EBADRP CS(=O)(=O)CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cn1ccnc1 ZINC001482699934 1126253760 /nfs/dbraw/zinc/25/37/60/1126253760.db2.gz XBFAZMYJDNBNGQ-QWHCGFSZSA-N 2 0 328.438 -0.198 20 0 EBADRP COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[NH+]3CCC2CC3)cn1 ZINC001482728154 1126268098 /nfs/dbraw/zinc/26/80/98/1126268098.db2.gz FKTDTYPJFDMTNL-CVEARBPZSA-N 2 0 348.447 -0.001 20 0 EBADRP CC(C)(C(=O)NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O)[NH+]1CCCCC1 ZINC001482727864 1126268104 /nfs/dbraw/zinc/26/81/04/1126268104.db2.gz CZRRTYHVPLFQCU-ZIAGYGMSSA-N 2 0 340.468 -0.404 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]CCn2cc(Cl)cn2)C1 ZINC001482768276 1126282942 /nfs/dbraw/zinc/28/29/42/1126282942.db2.gz SQHZHARULMCURV-TZMCWYRMSA-N 2 0 343.859 -0.055 20 0 EBADRP COc1cc(C[NH2+]C[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)sn1 ZINC001482787054 1126290935 /nfs/dbraw/zinc/29/09/35/1126290935.db2.gz VBAIOOQPCBEPLE-LLVKDONJSA-N 2 0 340.449 -0.186 20 0 EBADRP CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)C[NH+]2CCC(C)CC2)C1=O ZINC001482782957 1126289204 /nfs/dbraw/zinc/28/92/04/1126289204.db2.gz VWBUYKPOOHSUQS-CABCVRRESA-N 2 0 340.468 -0.594 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC(=O)NC(N)=O)[NH+]1CCCC1 ZINC001482900557 1126300366 /nfs/dbraw/zinc/30/03/66/1126300366.db2.gz DEBKZTOZRBIOPN-JSGCOSHPSA-N 2 0 341.456 -0.214 20 0 EBADRP C[C@H](CC[NH2+]CCN1C(=O)CCC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001482893108 1126301062 /nfs/dbraw/zinc/30/10/62/1126301062.db2.gz WUAAKDWNRBIOQT-CYBMUJFWSA-N 2 0 336.436 -0.284 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001483014933 1126312806 /nfs/dbraw/zinc/31/28/06/1126312806.db2.gz CAFFAQXLSIOOIS-DIABFLQPSA-N 2 0 339.440 -0.294 20 0 EBADRP CNC(=O)[C@H](C)[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001691606821 1126325432 /nfs/dbraw/zinc/32/54/32/1126325432.db2.gz UFBKJNHJASELNY-UONOGXRCSA-N 2 0 328.457 -0.521 20 0 EBADRP O=C(CC[NH+]1CCCCC1)NC/C=C/C[NH2+][C@H]1CCC(=O)NC1=O ZINC001483098730 1126332673 /nfs/dbraw/zinc/33/26/73/1126332673.db2.gz SSZVKOPXEROCMP-HSWBROFVSA-N 2 0 336.436 -0.070 20 0 EBADRP CCn1ncnc1CNC/C=C\CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001483094903 1126331975 /nfs/dbraw/zinc/33/19/75/1126331975.db2.gz HOXLXPUMUVWLBT-GXMNPTEKSA-N 2 0 336.440 -0.219 20 0 EBADRP C[C@H](C[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001483157115 1126348174 /nfs/dbraw/zinc/34/81/74/1126348174.db2.gz BKCBDKMAGBCJMI-BPLDGKMQSA-N 2 0 348.451 -0.286 20 0 EBADRP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCOCC1 ZINC001483227103 1126355805 /nfs/dbraw/zinc/35/58/05/1126355805.db2.gz UKWPCZPYIGLFHW-GJZGRUSLSA-N 2 0 340.468 -0.188 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001409481390 1126370792 /nfs/dbraw/zinc/37/07/92/1126370792.db2.gz WYHJNAQMFRRPDO-UONOGXRCSA-N 2 0 328.457 -0.332 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001409629391 1126385984 /nfs/dbraw/zinc/38/59/84/1126385984.db2.gz PBGJXPNXLRHXLL-VXGBXAGGSA-N 2 0 329.445 -0.391 20 0 EBADRP C[C@@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001483240112 1126409082 /nfs/dbraw/zinc/40/90/82/1126409082.db2.gz MHGQKLMKMFZIJK-ZDUSSCGKSA-N 2 0 346.497 -0.494 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001483296183 1126415170 /nfs/dbraw/zinc/41/51/70/1126415170.db2.gz AFBHQRFNUWAXMZ-QWHCGFSZSA-N 2 0 341.456 -0.199 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001483456096 1126428688 /nfs/dbraw/zinc/42/86/88/1126428688.db2.gz MOBKIBNWGNDGJA-RYUDHWBXSA-N 2 0 327.429 -0.637 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]CC(=O)NC(=O)NC ZINC001483468611 1126429405 /nfs/dbraw/zinc/42/94/05/1126429405.db2.gz DGOCAZFERSOKJD-CYBMUJFWSA-N 2 0 341.456 -0.246 20 0 EBADRP C[C@@H](C[N@H+](C)CCCS(=O)(=O)N(C)C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001483417536 1126426353 /nfs/dbraw/zinc/42/63/53/1126426353.db2.gz MHNYTFMHVUJDDV-UONOGXRCSA-N 2 0 348.513 -0.344 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001483439299 1126428126 /nfs/dbraw/zinc/42/81/26/1126428126.db2.gz APZXVKWRZGGHER-QWHCGFSZSA-N 2 0 341.456 -0.212 20 0 EBADRP CCN1CCO[C@H](C(=O)N[C@H](C[NH2+]CCS(C)(=O)=O)C2CC2)C1 ZINC001483607359 1126439703 /nfs/dbraw/zinc/43/97/03/1126439703.db2.gz NPPZMFKNKVYZFX-KGLIPLIRSA-N 2 0 347.481 -0.764 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001493546501 1126467085 /nfs/dbraw/zinc/46/70/85/1126467085.db2.gz OZSGGFXXOXKIBU-NEPJUHHUSA-N 2 0 327.429 -0.509 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1(NCc2cnn(C)n2)CC1 ZINC001483790360 1126477613 /nfs/dbraw/zinc/47/76/13/1126477613.db2.gz GFDHRRFSVUIDAT-ZDUSSCGKSA-N 2 0 336.440 -0.478 20 0 EBADRP O=C(NCC1([NH2+]C[C@H](O)Cn2cccn2)CC1)C12CC[NH+](CC1)C2 ZINC001483782367 1126478541 /nfs/dbraw/zinc/47/85/41/1126478541.db2.gz APXWAEVOAIVIJY-AWEZNQCLSA-N 2 0 333.436 -0.422 20 0 EBADRP Cn1nncc1C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001484191226 1126513162 /nfs/dbraw/zinc/51/31/62/1126513162.db2.gz LQRTUZBAZWHJDV-CYBMUJFWSA-N 2 0 336.440 -0.478 20 0 EBADRP O=C(NC[C@@]1(O)CC[N@H+](CCn2cccn2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001484216394 1126523821 /nfs/dbraw/zinc/52/38/21/1126523821.db2.gz LUBUKYYGSBEQIS-WMZOPIPTSA-N 2 0 347.463 -0.222 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NC(N)=O)C2 ZINC001484319040 1126563098 /nfs/dbraw/zinc/56/30/98/1126563098.db2.gz VJNKSQPFGUBXAW-SRVKXCTJSA-N 2 0 325.413 -0.898 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001484379374 1126566833 /nfs/dbraw/zinc/56/68/33/1126566833.db2.gz CNEFZNMFYPUPSH-KGLIPLIRSA-N 2 0 340.468 -0.473 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC(=O)NC(N)=O)C[C@@H]2C1 ZINC001484414637 1126571636 /nfs/dbraw/zinc/57/16/36/1126571636.db2.gz WGEHUWIBCYQGGJ-BETUJISGSA-N 2 0 339.440 -0.697 20 0 EBADRP Cc1nc(C)n(CC[NH2+]CCN(CCO)C(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001484478415 1126590517 /nfs/dbraw/zinc/59/05/17/1126590517.db2.gz PEBRLPFDMNAGSM-HNNXBMFYSA-N 2 0 338.456 -0.600 20 0 EBADRP CN1CCO[C@@H](C(=O)N2CC[C@H](CC[NH2+]CCOCCO)C2)C1 ZINC001484514752 1126600758 /nfs/dbraw/zinc/60/07/58/1126600758.db2.gz QHZREGGQMXXOSS-LSDHHAIUSA-N 2 0 329.441 -0.846 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CC(=O)NC(C)(C)C)C2)C1 ZINC001484699298 1126622493 /nfs/dbraw/zinc/62/24/93/1126622493.db2.gz OEALIENQWWQULG-KGLIPLIRSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1)C(=O)N(C)C ZINC001484700159 1126622706 /nfs/dbraw/zinc/62/27/06/1126622706.db2.gz XHHSBSHONQJZFH-ZIAGYGMSSA-N 2 0 326.441 -0.624 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001484701039 1126622935 /nfs/dbraw/zinc/62/29/35/1126622935.db2.gz XTCDAAXKIOBQRR-CQSZACIVSA-N 2 0 326.441 -0.578 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CC[C@H](N2CC[NH+](CCO)CC2)C1 ZINC001484704254 1126623802 /nfs/dbraw/zinc/62/38/02/1126623802.db2.gz MZCGAULHBMTNOX-INIZCTEOSA-N 2 0 326.485 -0.071 20 0 EBADRP CC[C@H](C(=O)N1CCO[C@H](C[NH2+]CCN2CCCC2=O)C1)[NH+](C)C ZINC001484695222 1126624549 /nfs/dbraw/zinc/62/45/49/1126624549.db2.gz AOSSYEGRGNJIEV-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[C@H](C(=O)N1CCO[C@H](C[NH2+]CCS(C)(=O)=O)C1)[NH+](C)C ZINC001484695488 1126624556 /nfs/dbraw/zinc/62/45/56/1126624556.db2.gz DVMWSXHXCRFXDR-CHWSQXEVSA-N 2 0 335.470 -0.812 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@](CO)([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001484852903 1126644655 /nfs/dbraw/zinc/64/46/55/1126644655.db2.gz IHPWLGFRLJHLPS-YOEHRIQHSA-N 2 0 338.452 -0.887 20 0 EBADRP CN1CC[C@H]([NH2+]CC2(NC(=O)C[NH+]3CCCC3)CCOCC2)C1=O ZINC001484871814 1126647964 /nfs/dbraw/zinc/64/79/64/1126647964.db2.gz HSOZZYVNCLCOJI-AWEZNQCLSA-N 2 0 338.452 -0.432 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001484903990 1126651843 /nfs/dbraw/zinc/65/18/43/1126651843.db2.gz OTAAYXZPNOVCAB-OLZOCXBDSA-N 2 0 339.440 -0.650 20 0 EBADRP C[C@H]([NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1)C(=O)N(C)C ZINC001484964158 1126657063 /nfs/dbraw/zinc/65/70/63/1126657063.db2.gz FGLCHASMCIILLP-KBPBESRZSA-N 2 0 340.468 -0.642 20 0 EBADRP C[C@H]([NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)C(=O)N(C)C ZINC001484964160 1126657073 /nfs/dbraw/zinc/65/70/73/1126657073.db2.gz FGLCHASMCIILLP-UONOGXRCSA-N 2 0 340.468 -0.642 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC(O)(C[NH2+][C@H]2CCCNC2=O)CC1 ZINC001484959558 1126659283 /nfs/dbraw/zinc/65/92/83/1126659283.db2.gz QYMNFKZUNNOOHQ-ZDUSSCGKSA-N 2 0 326.441 -0.840 20 0 EBADRP C[C@H]([NH2+]CC1CC(NC(=O)C2CC[NH+](C)CC2)C1)C(=O)NC(N)=O ZINC001485101401 1126674027 /nfs/dbraw/zinc/67/40/27/1126674027.db2.gz SNLSWDFEBAHONN-ZBOXLXRLSA-N 2 0 339.440 -0.604 20 0 EBADRP Cc1c(C(=O)N2CCO[C@@H]([C@@H](C)[NH2+]CC(N)=O)C2)ccc2c[nH+]cn21 ZINC001485641053 1126783540 /nfs/dbraw/zinc/78/35/40/1126783540.db2.gz NYOMHOBBZDHPPV-IAQYHMDHSA-N 2 0 345.403 -0.053 20 0 EBADRP Cc1nc[nH]c1CC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N2CCOCC2)C1 ZINC001485704347 1126802546 /nfs/dbraw/zinc/80/25/46/1126802546.db2.gz NFOPKGSWMINGBW-HDJSIYSDSA-N 2 0 349.435 -0.396 20 0 EBADRP CC(C)[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001485782523 1126837519 /nfs/dbraw/zinc/83/75/19/1126837519.db2.gz VZAWVPVMJLYLPP-OLZOCXBDSA-N 2 0 338.456 -0.177 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@@H]1C(F)(F)F ZINC001649051503 1126864703 /nfs/dbraw/zinc/86/47/03/1126864703.db2.gz WQLIFMNHPJHAEQ-KKZNHRDASA-N 2 0 334.342 -0.598 20 0 EBADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001649052957 1126865559 /nfs/dbraw/zinc/86/55/59/1126865559.db2.gz MBFMQVCUECMFPM-NCOADZHNSA-N 2 0 336.480 -0.245 20 0 EBADRP CN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)C1(C[NH3+])CCOCC1 ZINC001649111446 1126875418 /nfs/dbraw/zinc/87/54/18/1126875418.db2.gz GWLFVYGKRLROQP-ZDUSSCGKSA-N 2 0 326.441 -0.637 20 0 EBADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)C1CC1 ZINC001485833522 1126888527 /nfs/dbraw/zinc/88/85/27/1126888527.db2.gz VEBQIJCSDMHBSD-CYBMUJFWSA-N 2 0 348.451 -0.469 20 0 EBADRP C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1C[NH+](CCN2CCNC2=O)C1 ZINC001409945077 1126891237 /nfs/dbraw/zinc/89/12/37/1126891237.db2.gz ZMLDMKNRDPWHNQ-ZDUSSCGKSA-N 2 0 337.468 -0.068 20 0 EBADRP C[C@@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+]CCNS(C)(=O)=O ZINC001485881747 1126905535 /nfs/dbraw/zinc/90/55/35/1126905535.db2.gz KJWKXXMNXBCGCK-LBPRGKRZSA-N 2 0 334.486 -0.544 20 0 EBADRP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O)[NH+](C)C ZINC001485891946 1126909567 /nfs/dbraw/zinc/90/95/67/1126909567.db2.gz LFNNWMVKXJBTAC-VXGBXAGGSA-N 2 0 327.429 -0.685 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001485909381 1126913556 /nfs/dbraw/zinc/91/35/56/1126913556.db2.gz LWXPILAFOUEXPE-CHWSQXEVSA-N 2 0 334.486 -0.544 20 0 EBADRP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCN1C(=O)CNC1=O ZINC001485956301 1126921465 /nfs/dbraw/zinc/92/14/65/1126921465.db2.gz VCFLHHUDXZWFOW-QWHCGFSZSA-N 2 0 339.440 -0.684 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC(C)(C)C)CC[N@@H+]1C ZINC001485995501 1126958373 /nfs/dbraw/zinc/95/83/73/1126958373.db2.gz ILLJHRLKMKQODT-MGPQQGTHSA-N 2 0 342.484 -0.444 20 0 EBADRP CN(CC[NH2+]CCN1CCNC1=O)C(=O)C12CCC[NH+](CCC1)C2 ZINC001493589251 1126958949 /nfs/dbraw/zinc/95/89/49/1126958949.db2.gz DZWBGFHCCXBLPR-UHFFFAOYSA-N 2 0 337.468 -0.064 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCC2)CC[N@@H+]1C ZINC001486028264 1126998790 /nfs/dbraw/zinc/99/87/90/1126998790.db2.gz UQLBQJBHNDQBSN-MELADBBJSA-N 2 0 326.441 -0.984 20 0 EBADRP CCC(C)(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001486030745 1127001245 /nfs/dbraw/zinc/00/12/45/1127001245.db2.gz LZCXNDAZDKPNFW-CQSZACIVSA-N 2 0 342.484 -0.300 20 0 EBADRP CS(=O)(=O)NCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001486222167 1127064077 /nfs/dbraw/zinc/06/40/77/1127064077.db2.gz XLJXDQKPADUBIN-ZIAGYGMSSA-N 2 0 346.497 -0.494 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001486241753 1127065647 /nfs/dbraw/zinc/06/56/47/1127065647.db2.gz XUEUMDNUTZNLSU-VXGBXAGGSA-N 2 0 339.440 -0.637 20 0 EBADRP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001486280845 1127077628 /nfs/dbraw/zinc/07/76/28/1127077628.db2.gz JQAITBOSOXGIKC-LSDHHAIUSA-N 2 0 340.468 -0.452 20 0 EBADRP CN(C[C@H](O)C[NH2+]CC(=O)NC(C)(C)C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001486266203 1127089661 /nfs/dbraw/zinc/08/96/61/1127089661.db2.gz SWJDGYQOYBTOJL-OLZOCXBDSA-N 2 0 328.457 -0.596 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001486316870 1127118680 /nfs/dbraw/zinc/11/86/80/1127118680.db2.gz ADBNHPHZCHPNNG-UONOGXRCSA-N 2 0 338.456 -0.486 20 0 EBADRP CN(C[C@H](O)C[NH2+]CC(=O)NC1CCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001486317860 1127120069 /nfs/dbraw/zinc/12/00/69/1127120069.db2.gz RIIUSPFNLDBXKZ-UKRRQHHQSA-N 2 0 340.468 -0.594 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N(C)C2CC([NH2+]CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001486474354 1127182631 /nfs/dbraw/zinc/18/26/31/1127182631.db2.gz XPKFGHMKWGJWKN-ZSVAQUKISA-N 2 0 339.440 -0.509 20 0 EBADRP CN(CCOCC[NH2+][C@@H]1CCNC1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001486498448 1127191789 /nfs/dbraw/zinc/19/17/89/1127191789.db2.gz AQKMGUHSZWXRAB-UONOGXRCSA-N 2 0 326.441 -0.719 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(CCO)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001487025039 1127366688 /nfs/dbraw/zinc/36/66/88/1127366688.db2.gz GPIYRTQYEVWSFP-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](O)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001410128953 1127594671 /nfs/dbraw/zinc/59/46/71/1127594671.db2.gz MOVGMCDSCSLLFS-KKUMJFAQSA-N 2 0 342.484 -0.350 20 0 EBADRP CCNC(=O)C[NH2+][C@H](C)[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001410144258 1127607378 /nfs/dbraw/zinc/60/73/78/1127607378.db2.gz BYHQQWBHWWYSOZ-ZIAGYGMSSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@H]([NH2+]CCO)[C@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CCO1 ZINC001410164024 1127622709 /nfs/dbraw/zinc/62/27/09/1127622709.db2.gz XUEUMZCPOJENJH-DZGCQCFKSA-N 2 0 339.440 -0.744 20 0 EBADRP CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001410151375 1127629680 /nfs/dbraw/zinc/62/96/80/1127629680.db2.gz LBTXLDYWVOCXTR-ZFWWWQNUSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)Nc1cnccn1 ZINC001410336865 1127682603 /nfs/dbraw/zinc/68/26/03/1127682603.db2.gz DJZNLXYPGKHCPR-STQMWFEESA-N 2 0 334.424 -0.054 20 0 EBADRP CNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001410482852 1127726383 /nfs/dbraw/zinc/72/63/83/1127726383.db2.gz RWPCRIHMXGQPBH-OLZOCXBDSA-N 2 0 328.457 -0.332 20 0 EBADRP C[C@@H]([NH2+][C@H](CO)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(N)=O ZINC001410659762 1127795317 /nfs/dbraw/zinc/79/53/17/1127795317.db2.gz AYXSRZXIORNWCB-NEPJUHHUSA-N 2 0 328.457 -0.420 20 0 EBADRP C[C@@H]([NH2+][C@@H](CO)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(N)=O ZINC001410659786 1127795334 /nfs/dbraw/zinc/79/53/34/1127795334.db2.gz AYXSRZXIORNWCB-VXGBXAGGSA-N 2 0 328.457 -0.420 20 0 EBADRP CN(CC1CC1)C(=O)C[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001410727039 1127845174 /nfs/dbraw/zinc/84/51/74/1127845174.db2.gz IZGLFULSXOIDLK-OAHLLOKOSA-N 2 0 340.468 -0.737 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001410736870 1127851492 /nfs/dbraw/zinc/85/14/92/1127851492.db2.gz VOQATIIEXSMLSA-KKUMJFAQSA-N 2 0 342.484 -0.350 20 0 EBADRP C[C@H](C[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1)CS(C)(=O)=O ZINC001410740885 1127854942 /nfs/dbraw/zinc/85/49/42/1127854942.db2.gz XZIBRRWULGYJRF-TZMCWYRMSA-N 2 0 349.497 -0.924 20 0 EBADRP C[NH+]1CCC(OCC(=O)NC[C@@H](CO)[NH2+]Cc2cncs2)CC1 ZINC001410759305 1127866172 /nfs/dbraw/zinc/86/61/72/1127866172.db2.gz NHQSKLHYFBTREK-LBPRGKRZSA-N 2 0 342.465 -0.179 20 0 EBADRP CCN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)C[NH+]2CCC(C)CC2)C1=O ZINC001410767486 1127872679 /nfs/dbraw/zinc/87/26/79/1127872679.db2.gz XHPDMILOWOLOSM-LSDHHAIUSA-N 2 0 340.468 -0.594 20 0 EBADRP NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C(F)(F)F ZINC001411026964 1127978740 /nfs/dbraw/zinc/97/87/40/1127978740.db2.gz USQQBPDOGQNKOC-GHMZBOCLSA-N 2 0 348.369 -0.206 20 0 EBADRP CCN1CC[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)C2([NH+](C)C)CCC2)C1=O ZINC001411039190 1127983718 /nfs/dbraw/zinc/98/37/18/1127983718.db2.gz GCAVSIBXWQGHMO-ZIAGYGMSSA-N 2 0 340.468 -0.500 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C)C(=O)C1CC[NH+](C)CC1 ZINC001411082214 1128007716 /nfs/dbraw/zinc/00/77/16/1128007716.db2.gz MREVWTULRNLIOM-AWEZNQCLSA-N 2 0 342.484 -0.348 20 0 EBADRP CN(C[C@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001411101866 1128016189 /nfs/dbraw/zinc/01/61/89/1128016189.db2.gz SFNIZIJVSWWYDB-CHWSQXEVSA-N 2 0 326.441 -0.842 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N1CCCCC1 ZINC001411135195 1128031383 /nfs/dbraw/zinc/03/13/83/1128031383.db2.gz XSXXMYWYFHRXDM-HNNXBMFYSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001411170659 1128068520 /nfs/dbraw/zinc/06/85/20/1128068520.db2.gz JOHJDIYKBOSYEU-KRWDZBQOSA-N 2 0 340.468 -0.496 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)C1CC([NH2+]CCN2CCNC2=O)C1 ZINC001411253526 1128105272 /nfs/dbraw/zinc/10/52/72/1128105272.db2.gz OJKZSVWSWVRFLI-UHFFFAOYSA-N 2 0 325.457 -0.069 20 0 EBADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203216 1128214978 /nfs/dbraw/zinc/21/49/78/1128214978.db2.gz IKJYAYGBYVTQTM-VBQJREDUSA-N 2 0 334.464 -0.003 20 0 EBADRP CN(CCOCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)C[NH+]1CCCC1 ZINC001487578486 1128372493 /nfs/dbraw/zinc/37/24/93/1128372493.db2.gz HONPOGJFTJBUBM-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@H](CO)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001488002946 1128539484 /nfs/dbraw/zinc/53/94/84/1128539484.db2.gz UQAWLMJCFISBSX-SOUVJXGZSA-N 2 0 342.484 -0.348 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001488051125 1128550287 /nfs/dbraw/zinc/55/02/87/1128550287.db2.gz XQXALJYFNDFEHK-CYBMUJFWSA-N 2 0 326.441 -0.984 20 0 EBADRP C[N@H+](CC(=O)N[C@H](CO)CNC(=O)C1CC[NH+](C)CC1)C1CCC1 ZINC001488030080 1128571141 /nfs/dbraw/zinc/57/11/41/1128571141.db2.gz PICMUKUUDQUJQC-AWEZNQCLSA-N 2 0 340.468 -0.594 20 0 EBADRP C[NH+](C)C1(C(=O)N[C@H](CO)CNC(=O)C2CC[NH+](C)CC2)CCC1 ZINC001488029990 1128571322 /nfs/dbraw/zinc/57/13/22/1128571322.db2.gz NWFDPJMEKLRRJZ-AWEZNQCLSA-N 2 0 340.468 -0.594 20 0 EBADRP C[NH+](C)CC1(C(=O)NC[C@@H](CO)NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001488077292 1128611851 /nfs/dbraw/zinc/61/18/51/1128611851.db2.gz HQTYFQDXCOGVRV-KGLIPLIRSA-N 2 0 340.468 -0.737 20 0 EBADRP Cc1nccn1CC(=O)N(C)C[C@H](O)CNC(=O)CCc1ncc[nH]1 ZINC001488362955 1128701377 /nfs/dbraw/zinc/70/13/77/1128701377.db2.gz UXAMMAHZLMDFTP-CYBMUJFWSA-N 2 0 348.407 -0.517 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001488403239 1128741284 /nfs/dbraw/zinc/74/12/84/1128741284.db2.gz QTBSRDVOIWCSNH-LSDHHAIUSA-N 2 0 342.484 -0.254 20 0 EBADRP COCCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001488536140 1128783456 /nfs/dbraw/zinc/78/34/56/1128783456.db2.gz LPVCMKVQXBGLBO-HUUCEWRRSA-N 2 0 340.468 -0.519 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001488871803 1128870379 /nfs/dbraw/zinc/87/03/79/1128870379.db2.gz DOPKIFPJDIJGEY-KKUMJFAQSA-N 2 0 337.468 -0.162 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001489348844 1128963385 /nfs/dbraw/zinc/96/33/85/1128963385.db2.gz OILULQQQTJNSNT-RBSFLKMASA-N 2 0 340.468 -0.642 20 0 EBADRP CC[C@H](C(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1O)[NH+](C)C ZINC001489364475 1128966843 /nfs/dbraw/zinc/96/68/43/1128966843.db2.gz ACQBEHFBIJELFC-TUVASFSCSA-N 2 0 342.484 -0.399 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001489360023 1128978310 /nfs/dbraw/zinc/97/83/10/1128978310.db2.gz UEUKBXOXGMYIPR-ZIAGYGMSSA-N 2 0 328.457 -0.644 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001489609399 1129014082 /nfs/dbraw/zinc/01/40/82/1129014082.db2.gz VZLGXZBOWOYGHS-KGLIPLIRSA-N 2 0 340.468 -0.500 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001490271830 1129154932 /nfs/dbraw/zinc/15/49/32/1129154932.db2.gz QRKJWJFKIJABQD-LBPRGKRZSA-N 2 0 339.440 -0.636 20 0 EBADRP C[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)C[C@H]1CCS(=O)(=O)C1 ZINC001490270402 1129155275 /nfs/dbraw/zinc/15/52/75/1129155275.db2.gz NDWSCDAJJHFSPY-CQSZACIVSA-N 2 0 343.493 -0.045 20 0 EBADRP CN(CC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1)S(C)(=O)=O ZINC001490279992 1129156713 /nfs/dbraw/zinc/15/67/13/1129156713.db2.gz SHTZZMWTXZYCSG-ZDUSSCGKSA-N 2 0 334.486 -0.732 20 0 EBADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001413999177 1131261076 /nfs/dbraw/zinc/26/10/76/1131261076.db2.gz HZKTUNKAYMVBNY-ZDUSSCGKSA-N 2 0 331.482 -0.189 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O)[NH+](C)C ZINC001414049460 1131354788 /nfs/dbraw/zinc/35/47/88/1131354788.db2.gz KOUASJDPGXMQMJ-IPYPFGDCSA-N 2 0 328.457 -0.788 20 0 EBADRP CC(C)OCC[NH+]1CCN(CCNC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001490486590 1129190446 /nfs/dbraw/zinc/19/04/46/1129190446.db2.gz FOQXHHQGXSLNQR-INIZCTEOSA-N 2 0 342.484 -0.524 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN1CC[NH+](C[C@@H](C)O)CC1 ZINC001490494295 1129193918 /nfs/dbraw/zinc/19/39/18/1129193918.db2.gz XNRCPUKYSSPXIZ-HZPDHXFCSA-N 2 0 326.485 -0.025 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C2CC2)nc1=O ZINC001490664012 1129242469 /nfs/dbraw/zinc/24/24/69/1129242469.db2.gz CAZQJPIAYLNVSJ-ZIAGYGMSSA-N 2 0 348.451 -0.565 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@H]([NH2+]CCNS(C)(=O)=O)C2CC2)CC1 ZINC001490698994 1129249157 /nfs/dbraw/zinc/24/91/57/1129249157.db2.gz BMEURMMQWMLFTC-AWEZNQCLSA-N 2 0 346.497 -0.638 20 0 EBADRP C[C@H]([NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1)C(=O)NC(N)=O ZINC001490741492 1129251264 /nfs/dbraw/zinc/25/12/64/1129251264.db2.gz VNYRKQNGMIBCSN-JQWIXIFHSA-N 2 0 325.413 -0.850 20 0 EBADRP C[C@H]([NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C1CC1)C(=O)NC(N)=O ZINC001490741490 1129251433 /nfs/dbraw/zinc/25/14/33/1129251433.db2.gz VNYRKQNGMIBCSN-CMPLNLGQSA-N 2 0 325.413 -0.850 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@H](C[N@H+](C)CC(=O)NC(N)=O)C1 ZINC001490772574 1129256398 /nfs/dbraw/zinc/25/63/98/1129256398.db2.gz ONYHVBANJAWBHT-LBPRGKRZSA-N 2 0 327.429 -0.697 20 0 EBADRP CCN1CCO[C@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000870020823 1129265099 /nfs/dbraw/zinc/26/50/99/1129265099.db2.gz HDZXETXDHJDEAH-OAGGEKHMSA-N 2 0 326.485 -0.095 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H](O)C2CCOCC2)C[C@H]1C[NH+](C)C ZINC000870021602 1129265212 /nfs/dbraw/zinc/26/52/12/1129265212.db2.gz QJGKIFUOXHWCLD-OAGGEKHMSA-N 2 0 327.469 -0.028 20 0 EBADRP CN(CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1)S(C)(=O)=O ZINC001493186760 1129527541 /nfs/dbraw/zinc/52/75/41/1129527541.db2.gz ZPVCLPICJMMPGF-KBPBESRZSA-N 2 0 346.497 -0.590 20 0 EBADRP C[N@H+](CC(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[NH+]1C)C1CCC1 ZINC001412811788 1129668424 /nfs/dbraw/zinc/66/84/24/1129668424.db2.gz XTLJIMIYBXGXHM-GXTWGEPZSA-N 2 0 326.441 -0.842 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1C ZINC001412885089 1129757913 /nfs/dbraw/zinc/75/79/13/1129757913.db2.gz SJDBWOXLWRYFRP-MGPQQGTHSA-N 2 0 340.468 -0.596 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001413270595 1129981921 /nfs/dbraw/zinc/98/19/21/1129981921.db2.gz NIYNZAOMBHKUJA-AWEZNQCLSA-N 2 0 342.484 -0.254 20 0 EBADRP CC[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1)[NH+](C)C ZINC001413299496 1129997878 /nfs/dbraw/zinc/99/78/78/1129997878.db2.gz SUCDBTSOSJGWSL-LSDHHAIUSA-N 2 0 342.484 -0.396 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)CNC(=O)CC[NH+](C)C)C1 ZINC001413337845 1130026190 /nfs/dbraw/zinc/02/61/90/1130026190.db2.gz QMIOQEAUNUGWOA-ZIAGYGMSSA-N 2 0 328.457 -0.785 20 0 EBADRP Cc1nn(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(=O)o1 ZINC001413414238 1130078157 /nfs/dbraw/zinc/07/81/57/1130078157.db2.gz PAGMOWMVWREIIJ-CHWSQXEVSA-N 2 0 325.413 -0.657 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001493231760 1130141476 /nfs/dbraw/zinc/14/14/76/1130141476.db2.gz BMIJOPXAIWTPRN-VXGBXAGGSA-N 2 0 327.429 -0.780 20 0 EBADRP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)CCC1 ZINC001490897308 1130229272 /nfs/dbraw/zinc/22/92/72/1130229272.db2.gz GXHNKFSFQRORQH-JOCQHMNTSA-N 2 0 336.436 -0.144 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001490902994 1130234174 /nfs/dbraw/zinc/23/41/74/1130234174.db2.gz KBEFZJMIKMUFOF-FDYHWXHSSA-N 2 0 337.424 -0.565 20 0 EBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC001413729832 1130245536 /nfs/dbraw/zinc/24/55/36/1130245536.db2.gz UVSNWIXXKSDOOV-HZPDHXFCSA-N 2 0 341.500 -0.232 20 0 EBADRP C[NH+](C)CCC(=O)N1CCCO[C@@H](CNC(=O)Cn2ccnc2)C1 ZINC001413749241 1130254498 /nfs/dbraw/zinc/25/44/98/1130254498.db2.gz AVOOVZPMLMXDNT-AWEZNQCLSA-N 2 0 337.424 -0.432 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001490928299 1130266792 /nfs/dbraw/zinc/26/67/92/1130266792.db2.gz LOXYVOIHNURYSL-FDYHWXHSSA-N 2 0 339.440 -0.591 20 0 EBADRP CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+]1CCCCC1 ZINC001491019124 1130291017 /nfs/dbraw/zinc/29/10/17/1130291017.db2.gz PHMLUNUGPUVYIZ-TXEJJXNPSA-N 2 0 339.440 -0.317 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001491049896 1130306251 /nfs/dbraw/zinc/30/62/51/1130306251.db2.gz CVMHEIAFNXJTKJ-GASCZTMLSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1 ZINC001491183906 1130351967 /nfs/dbraw/zinc/35/19/67/1130351967.db2.gz HPZWZDCBKDOEFU-ZIAGYGMSSA-N 2 0 326.441 -0.732 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[NH+](CC(=O)NC(N)=O)C1 ZINC001491296309 1130388317 /nfs/dbraw/zinc/38/83/17/1130388317.db2.gz NLADGWONXDARSP-QWHCGFSZSA-N 2 0 341.456 -0.260 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001491319527 1130398290 /nfs/dbraw/zinc/39/82/90/1130398290.db2.gz RGTXLIPPLOZJSL-CABCVRRESA-N 2 0 340.468 -0.471 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001491413734 1130434014 /nfs/dbraw/zinc/43/40/14/1130434014.db2.gz MQCKJLLLZCUTIJ-OLZOCXBDSA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)[NH2+]Cc1cnnn1C ZINC001491494951 1130469911 /nfs/dbraw/zinc/46/99/11/1130469911.db2.gz JMQQNKULOSKDPO-ZDUSSCGKSA-N 2 0 338.456 -0.232 20 0 EBADRP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001491506906 1130477018 /nfs/dbraw/zinc/47/70/18/1130477018.db2.gz VMTUPFDRSDUSEI-DGCLKSJQSA-N 2 0 339.440 -0.447 20 0 EBADRP CCOC(=O)[C@@H]1C[N@H+](Cc2cnc3n2CCNC3)CCC12C[NH2+]C2 ZINC001237436593 1130532420 /nfs/dbraw/zinc/53/24/20/1130532420.db2.gz PQKMPWOJMWJOMW-AWEZNQCLSA-N 2 0 333.436 -0.039 20 0 EBADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001491564087 1130534084 /nfs/dbraw/zinc/53/40/84/1130534084.db2.gz JGFJZERFVGBWPL-OLZOCXBDSA-N 2 0 331.482 -0.143 20 0 EBADRP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCN(C)S(C)(=O)=O ZINC001491992604 1130574331 /nfs/dbraw/zinc/57/43/31/1130574331.db2.gz YVLVEJWMOYMEAJ-OLZOCXBDSA-N 2 0 334.486 -0.544 20 0 EBADRP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCNS(C)(=O)=O ZINC001492073910 1130579416 /nfs/dbraw/zinc/57/94/16/1130579416.db2.gz UDNTVVJNAWVNES-RDBSUJKOSA-N 2 0 348.513 -0.250 20 0 EBADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCN1C(=O)CNC1=O ZINC001492026854 1130580198 /nfs/dbraw/zinc/58/01/98/1130580198.db2.gz BZIIPQKGEBMOFA-YNEHKIRRSA-N 2 0 339.440 -0.637 20 0 EBADRP C[C@H](CCNC(=O)[C@H](C)C[NH+]1CCOCC1)[NH2+]Cc1ncnn1C ZINC001492128528 1130583965 /nfs/dbraw/zinc/58/39/65/1130583965.db2.gz WHHDLZNOOPENDI-ZIAGYGMSSA-N 2 0 338.456 -0.232 20 0 EBADRP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001493255014 1130642087 /nfs/dbraw/zinc/64/20/87/1130642087.db2.gz MIOUUQNFIVFDAL-ZDUSSCGKSA-N 2 0 341.456 -0.388 20 0 EBADRP C[N@H+](CCCN1C(=O)CNC1=O)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001492375681 1130646310 /nfs/dbraw/zinc/64/63/10/1130646310.db2.gz IDMFBTGLHLYYLM-ZDUSSCGKSA-N 2 0 339.440 -0.539 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001480120709 1130759423 /nfs/dbraw/zinc/75/94/23/1130759423.db2.gz QLJUXGCATXRUFQ-KBPBESRZSA-N 2 0 348.513 -0.298 20 0 EBADRP O=C(C[NH2+]C[C@H]1CCCN(C(=O)Cn2ccnc2)C1)N1CCOCC1 ZINC001480306117 1130779784 /nfs/dbraw/zinc/77/97/84/1130779784.db2.gz IDGTVWREDOECCP-OAHLLOKOSA-N 2 0 349.435 -0.430 20 0 EBADRP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001480459977 1130816030 /nfs/dbraw/zinc/81/60/30/1130816030.db2.gz QIJAMOPSOYYENE-OLZOCXBDSA-N 2 0 334.486 -0.497 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1O ZINC001413969928 1130874350 /nfs/dbraw/zinc/87/43/50/1130874350.db2.gz QKPWALJFKJECGO-RBSFLKMASA-N 2 0 342.484 -0.254 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1O ZINC001413977824 1131187885 /nfs/dbraw/zinc/18/78/85/1131187885.db2.gz OUMPDWPBPKJHJP-RRFJBIMHSA-N 2 0 340.468 -0.642 20 0 EBADRP CC(C)[C@H](NC(N)=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001363147884 1131803608 /nfs/dbraw/zinc/80/36/08/1131803608.db2.gz OAUBPFCCWCWGPN-MCIONIFRSA-N 2 0 327.473 -0.123 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC001364214885 1132240323 /nfs/dbraw/zinc/24/03/23/1132240323.db2.gz UGQFLKZJQIYOTR-GJZGRUSLSA-N 2 0 327.473 -0.622 20 0 EBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC001364223611 1132243887 /nfs/dbraw/zinc/24/38/87/1132243887.db2.gz ZMIMQRCZQBBBLN-CVEARBPZSA-N 2 0 341.500 -0.232 20 0 EBADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](CO)[C@H](CCO)C2)CC1 ZINC001364529866 1132352382 /nfs/dbraw/zinc/35/23/82/1132352382.db2.gz LOJAXTOIAHOHQZ-HUUCEWRRSA-N 2 0 327.469 -0.102 20 0 EBADRP CC[NH+]1CCN(C2CN(S(=O)(=O)CC3(N(C)C)CC3)C2)CC1 ZINC001364981947 1132510346 /nfs/dbraw/zinc/51/03/46/1132510346.db2.gz OQFAIZMPJSZSBV-UHFFFAOYSA-N 2 0 330.498 -0.268 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001365830301 1132822058 /nfs/dbraw/zinc/82/20/58/1132822058.db2.gz BJNCAVOHBNHOLA-JHJVBQTASA-N 2 0 339.440 -0.462 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001365834085 1132824279 /nfs/dbraw/zinc/82/42/79/1132824279.db2.gz MZEUOZPVHFQMHZ-VGWMRTNUSA-N 2 0 335.452 -0.177 20 0 EBADRP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC(=O)N1CCOCC1 ZINC001365865235 1132841682 /nfs/dbraw/zinc/84/16/82/1132841682.db2.gz HNGPKDBLWPDKBZ-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001366097196 1133002405 /nfs/dbraw/zinc/00/24/05/1133002405.db2.gz DZESGJCXDPDMSU-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)C(=O)Nc1ncccn1 ZINC001366125185 1133017409 /nfs/dbraw/zinc/01/74/09/1133017409.db2.gz QPWPIKFDDDCQBZ-JHJVBQTASA-N 2 0 334.424 -0.008 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001366125337 1133017802 /nfs/dbraw/zinc/01/78/02/1133017802.db2.gz IYFPTAKQNOBFQD-SRVKXCTJSA-N 2 0 327.429 -0.591 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001366146394 1133025525 /nfs/dbraw/zinc/02/55/25/1133025525.db2.gz AQDHSMYDQJTRTI-PHIMTYICSA-N 2 0 325.413 -0.837 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001366147026 1133026187 /nfs/dbraw/zinc/02/61/87/1133026187.db2.gz OJFUYEBDUXNRAP-TUAOUCFPSA-N 2 0 345.419 -0.641 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001366193746 1133050741 /nfs/dbraw/zinc/05/07/41/1133050741.db2.gz RRNGQHWPEBJURY-QWHCGFSZSA-N 2 0 339.440 -0.506 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001366217960 1133060310 /nfs/dbraw/zinc/06/03/10/1133060310.db2.gz MNODFHWGILTIQY-GFCCVEGCSA-N 2 0 327.429 -0.506 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001366238089 1133069923 /nfs/dbraw/zinc/06/99/23/1133069923.db2.gz MNVDIAVIZLUMJQ-SEBNEYGDSA-N 2 0 340.443 -0.009 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001366238038 1133070383 /nfs/dbraw/zinc/07/03/83/1133070383.db2.gz MNVDIAVIZLUMJQ-AIEDFZFUSA-N 2 0 340.443 -0.009 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001366238091 1133070501 /nfs/dbraw/zinc/07/05/01/1133070501.db2.gz MNVDIAVIZLUMJQ-XPABHHOTSA-N 2 0 340.443 -0.009 20 0 EBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NCc1cccnc1 ZINC001366314551 1133096750 /nfs/dbraw/zinc/09/67/50/1133096750.db2.gz ZDCCFIAVCTZCHK-UKRRQHHQSA-N 2 0 333.436 -0.114 20 0 EBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001366345158 1133106483 /nfs/dbraw/zinc/10/64/83/1133106483.db2.gz KZAXIKQXBZMXBI-KGLIPLIRSA-N 2 0 338.452 -0.840 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001366440072 1133145715 /nfs/dbraw/zinc/14/57/15/1133145715.db2.gz YTOZRXIMLKTUER-STQMWFEESA-N 2 0 339.440 -0.412 20 0 EBADRP CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)N1CCOCC1)[NH+](C)C ZINC001366481379 1133155673 /nfs/dbraw/zinc/15/56/73/1133155673.db2.gz AGUUNQFPNQAFKN-GOEBONIOSA-N 2 0 342.484 -0.084 20 0 EBADRP C[C@H](CCNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CC(=O)N(C)C ZINC001366512495 1133163463 /nfs/dbraw/zinc/16/34/63/1133163463.db2.gz WMDNSIUDQLIPKF-UONOGXRCSA-N 2 0 328.457 -0.473 20 0 EBADRP C[C@@H]([NH2+]CC(=O)NC(N)=O)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001366780309 1133295386 /nfs/dbraw/zinc/29/53/86/1133295386.db2.gz DOAMCIFKJIFOKB-GFCCVEGCSA-N 2 0 339.440 -0.506 20 0 EBADRP CC[C@H](C(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(=O)NC(C)C)[NH+](C)C ZINC001366814527 1133303591 /nfs/dbraw/zinc/30/35/91/1133303591.db2.gz IVJCGKHFPSIMRL-CHWSQXEVSA-N 2 0 343.472 -0.003 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001366844556 1133315348 /nfs/dbraw/zinc/31/53/48/1133315348.db2.gz KZOFGUWOPUERQV-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001366873487 1133334237 /nfs/dbraw/zinc/33/42/37/1133334237.db2.gz RDOADLOHRGOCGK-VXGBXAGGSA-N 2 0 327.429 -0.698 20 0 EBADRP COC[C@H](O)C[N@H+](C)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001366875484 1133335475 /nfs/dbraw/zinc/33/54/75/1133335475.db2.gz IYLLJDNPDZGMHR-LSDHHAIUSA-N 2 0 325.453 -0.130 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001367094835 1133473691 /nfs/dbraw/zinc/47/36/91/1133473691.db2.gz UDATVVHNUHOOTG-NWDGAFQWSA-N 2 0 327.429 -0.589 20 0 EBADRP C[C@H]([NH2+]CC[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001367192840 1133498197 /nfs/dbraw/zinc/49/81/97/1133498197.db2.gz PWWUNGVGTYSLCG-STQMWFEESA-N 2 0 341.456 -0.260 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001367271786 1133522018 /nfs/dbraw/zinc/52/20/18/1133522018.db2.gz VLAMPRARBFEGQC-LBPRGKRZSA-N 2 0 341.456 -0.484 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC1CCOCC1)N(C)C(=O)CC[NH+](C)C ZINC001367375501 1133569017 /nfs/dbraw/zinc/56/90/17/1133569017.db2.gz KDKAPRJVHRTOLJ-CYBMUJFWSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001367430751 1133587792 /nfs/dbraw/zinc/58/77/92/1133587792.db2.gz MHSJTEONFAHEBH-RYUDHWBXSA-N 2 0 327.429 -0.650 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)Nc1ccccc1 ZINC001367579256 1133647073 /nfs/dbraw/zinc/64/70/73/1133647073.db2.gz KUTLTFICDUAZDG-HUUCEWRRSA-N 2 0 334.420 -0.214 20 0 EBADRP CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)C2([NH+](C)C)CCC2)C1=O ZINC001367589968 1133661251 /nfs/dbraw/zinc/66/12/51/1133661251.db2.gz CBVPFHHZNCJIGS-STQMWFEESA-N 2 0 326.441 -0.842 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cnnn1C ZINC001367599607 1133676297 /nfs/dbraw/zinc/67/62/97/1133676297.db2.gz OKDMBJCNSBLKRC-LSDHHAIUSA-N 2 0 338.456 -0.498 20 0 EBADRP CC(C)N1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001367600921 1133678088 /nfs/dbraw/zinc/67/80/88/1133678088.db2.gz LZDBXWMRAVTEKL-UONOGXRCSA-N 2 0 340.468 -0.596 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001367603930 1133682134 /nfs/dbraw/zinc/68/21/34/1133682134.db2.gz VRVLVDVVFJDXID-CQSZACIVSA-N 2 0 342.484 -0.206 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCCCC2)C1 ZINC001367614438 1133695161 /nfs/dbraw/zinc/69/51/61/1133695161.db2.gz AJMKPJWXLBRBNH-CABCVRRESA-N 2 0 340.468 -0.593 20 0 EBADRP COc1ncc(C[NH2+]C[C@H](O)CNC(=O)C[NH+]2CCCC2)c(C)n1 ZINC001367628388 1133717333 /nfs/dbraw/zinc/71/73/33/1133717333.db2.gz UPEPVLRPRLBIFA-AWEZNQCLSA-N 2 0 337.424 -0.544 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](O)C[NH2+]CC1CCOCC1 ZINC001367629568 1133718925 /nfs/dbraw/zinc/71/89/25/1133718925.db2.gz XPYLOWIRMQIOAD-HOCLYGCPSA-N 2 0 343.468 -0.552 20 0 EBADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)Nc1nncs1)[NH+](C)C ZINC001367699955 1133751635 /nfs/dbraw/zinc/75/16/35/1133751635.db2.gz QZQIANGARPZFQM-ZJUUUORDSA-N 2 0 328.442 -0.089 20 0 EBADRP C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001367735703 1133764884 /nfs/dbraw/zinc/76/48/84/1133764884.db2.gz UKMSTGJIPLRCJL-RYUDHWBXSA-N 2 0 341.456 -0.071 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001368036575 1133907152 /nfs/dbraw/zinc/90/71/52/1133907152.db2.gz MLMPBIZVGPAPFU-LBPRGKRZSA-N 2 0 327.429 -0.733 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001368109600 1133942202 /nfs/dbraw/zinc/94/22/02/1133942202.db2.gz NSJOFZCLWRDEFC-STQMWFEESA-N 2 0 341.456 -0.247 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCN([C@H]2CC[NH+](CCCO)C2)CC1 ZINC001368146612 1133959398 /nfs/dbraw/zinc/95/93/98/1133959398.db2.gz QFRWQEHGWMUOEM-INIZCTEOSA-N 2 0 326.485 -0.071 20 0 EBADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001368263116 1134056744 /nfs/dbraw/zinc/05/67/44/1134056744.db2.gz QJDFNDMXXXFHRB-CZUORRHYSA-N 2 0 338.452 -0.568 20 0 EBADRP C[C@H]([NH2+]CCN(CCO)C(=O)C[NH+]1CCCC1)C(=O)NC(C)(C)C ZINC001368409785 1134211437 /nfs/dbraw/zinc/21/14/37/1134211437.db2.gz LVUIOTLHXZFCAR-AWEZNQCLSA-N 2 0 342.484 -0.204 20 0 EBADRP CN1CCC[C@@H]([NH2+]CCN(CCO)C(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001368413651 1134212858 /nfs/dbraw/zinc/21/28/58/1134212858.db2.gz SBCOFWAWKLKDBN-HUUCEWRRSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@@H]([NH2+]CC[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001368414717 1134213215 /nfs/dbraw/zinc/21/32/15/1134213215.db2.gz HAVSTRKGKIWULS-OLZOCXBDSA-N 2 0 341.456 -0.260 20 0 EBADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1)C(N)=O ZINC001368523346 1134274344 /nfs/dbraw/zinc/27/43/44/1134274344.db2.gz XQBFBCCPBRCDOJ-LSDHHAIUSA-N 2 0 340.468 -0.057 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001368527095 1134275095 /nfs/dbraw/zinc/27/50/95/1134275095.db2.gz LKQHEFRIVJXYJU-QWHCGFSZSA-N 2 0 341.456 -0.295 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC001368533805 1134279484 /nfs/dbraw/zinc/27/94/84/1134279484.db2.gz OHACNCGCGYWOGX-CHWSQXEVSA-N 2 0 341.456 -0.118 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001368578427 1134301320 /nfs/dbraw/zinc/30/13/20/1134301320.db2.gz GRYULTARFFHUAW-JHJVBQTASA-N 2 0 341.456 -0.343 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001368603258 1134317901 /nfs/dbraw/zinc/31/79/01/1134317901.db2.gz BWNVKDOSRNTPOJ-TUVASFSCSA-N 2 0 338.452 -0.672 20 0 EBADRP CNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001368611910 1134323081 /nfs/dbraw/zinc/32/30/81/1134323081.db2.gz HHGVOKQSINIBEP-YOEHRIQHSA-N 2 0 340.468 -0.450 20 0 EBADRP CN(C)C(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001368615555 1134327706 /nfs/dbraw/zinc/32/77/06/1134327706.db2.gz QZJFKZGTMRITES-CJNGLKHVSA-N 2 0 326.441 -0.888 20 0 EBADRP Cc1c(C(=O)NC2(C[NH2+]CC(N)=O)CCOCC2)ccc2c[nH+]cn21 ZINC001368627816 1134340502 /nfs/dbraw/zinc/34/05/02/1134340502.db2.gz HAZNUGXIYLRBGK-UHFFFAOYSA-N 2 0 345.403 -0.003 20 0 EBADRP CC[C@@H]([NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCOCC1)C(N)=O ZINC001368631846 1134344705 /nfs/dbraw/zinc/34/47/05/1134344705.db2.gz UOGYWCCPHWOCQN-CHWSQXEVSA-N 2 0 326.441 -0.401 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N1CCN(C2C[NH+](C[C@@H](C)O)C2)CC1 ZINC001368674988 1134372089 /nfs/dbraw/zinc/37/20/89/1134372089.db2.gz XQDNBTPCCYLKQO-ZBFHGGJFSA-N 2 0 344.475 -0.125 20 0 EBADRP CCNC(=O)C[NH2+]CC1(O)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001368692655 1134393780 /nfs/dbraw/zinc/39/37/80/1134393780.db2.gz ZEYALTPYFUVNAP-UHFFFAOYSA-N 2 0 340.468 -0.450 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001368742256 1134415480 /nfs/dbraw/zinc/41/54/80/1134415480.db2.gz LFZCSEIPIQJOOR-RYUDHWBXSA-N 2 0 327.429 -0.732 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCN1CCNC1=O ZINC001368783470 1134438893 /nfs/dbraw/zinc/43/88/93/1134438893.db2.gz VYOJMWJTVRZFHB-KGLIPLIRSA-N 2 0 337.468 -0.068 20 0 EBADRP NC(=O)C[NH2+]CC1CC(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001368818011 1134453751 /nfs/dbraw/zinc/45/37/51/1134453751.db2.gz ZSBGJZLFESQOHK-UHFFFAOYSA-N 2 0 328.376 -0.149 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001368895090 1134478249 /nfs/dbraw/zinc/47/82/49/1134478249.db2.gz PQYZONWOOJTBPL-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+][C@H](C)C(=O)NC(N)=O)[NH+](C)C ZINC001368919744 1134484188 /nfs/dbraw/zinc/48/41/88/1134484188.db2.gz RSVCWNRDLACWHH-NEPJUHHUSA-N 2 0 343.472 -0.016 20 0 EBADRP CNC(=O)C[NH2+][C@H](C)[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001369147851 1134592653 /nfs/dbraw/zinc/59/26/53/1134592653.db2.gz CIIOOUGNWJQZHN-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]([NH2+]CCN1CCCC1=O)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001369152581 1134595238 /nfs/dbraw/zinc/59/52/38/1134595238.db2.gz PDTZJOUTMZAGMF-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CC(=O)N2CCC2)C1 ZINC001369155572 1134597033 /nfs/dbraw/zinc/59/70/33/1134597033.db2.gz JUVUBNIGPXDPNB-HUUCEWRRSA-N 2 0 340.468 -0.236 20 0 EBADRP C[C@@H]([NH2+]CC(=O)N(C)C)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001369158618 1134599569 /nfs/dbraw/zinc/59/95/69/1134599569.db2.gz NAJGTBTYPRKAJA-ZIAGYGMSSA-N 2 0 338.452 -0.624 20 0 EBADRP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1)C(=O)NC(N)=O ZINC001369168527 1134603847 /nfs/dbraw/zinc/60/38/47/1134603847.db2.gz KSFPKBFVFXZDRA-KKOKHZNYSA-N 2 0 325.413 -0.852 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001369251448 1134630352 /nfs/dbraw/zinc/63/03/52/1134630352.db2.gz QCJLBJSMAOWMLD-RYUDHWBXSA-N 2 0 341.456 -0.249 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001369277817 1134638584 /nfs/dbraw/zinc/63/85/84/1134638584.db2.gz PCCANELFOWXVTM-VXGBXAGGSA-N 2 0 329.445 -0.391 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]CCc2ccnn2C)CC[N@@H+]1C ZINC001369320537 1134660472 /nfs/dbraw/zinc/66/04/72/1134660472.db2.gz CJSQNYDETLYTAB-VNQPRFMTSA-N 2 0 337.468 -0.240 20 0 EBADRP C[C@@H]([NH2+][C@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2)C(=O)N(C)C ZINC001369330015 1134672416 /nfs/dbraw/zinc/67/24/16/1134672416.db2.gz MWKSJIUIFGZHIS-KGLIPLIRSA-N 2 0 340.468 -0.594 20 0 EBADRP Cn1ccc(C[NH2+][C@H](CO)CNC(=O)C2CC[NH+](C)CC2)cc1=O ZINC001369351089 1134700788 /nfs/dbraw/zinc/70/07/88/1134700788.db2.gz SPJRLAOOMFNMKB-HNNXBMFYSA-N 2 0 336.436 -0.706 20 0 EBADRP C[C@H](CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1)[NH2+]CCS(C)(=O)=O ZINC001369353312 1134703124 /nfs/dbraw/zinc/70/31/24/1134703124.db2.gz DCIMIEIRSYLNIB-ZIAGYGMSSA-N 2 0 349.497 -0.564 20 0 EBADRP O=C(CC[NH+]1CCCCC1)NC[C@H](CO)[NH2+][C@H]1CCCNC1=O ZINC001369373315 1134729277 /nfs/dbraw/zinc/72/92/77/1134729277.db2.gz KJULLWCOTBDLEM-KGLIPLIRSA-N 2 0 326.441 -0.792 20 0 EBADRP C[C@@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC001369390578 1134751398 /nfs/dbraw/zinc/75/13/98/1134751398.db2.gz LPHYQVYNXNXUHS-HIFRSBDPSA-N 2 0 340.468 -0.236 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001369406761 1134763726 /nfs/dbraw/zinc/76/37/26/1134763726.db2.gz RCBOPFRVOAXXDA-OLZOCXBDSA-N 2 0 341.456 -0.247 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(=O)NC(=O)NC)C[C@H]1C ZINC001369409329 1134765962 /nfs/dbraw/zinc/76/59/62/1134765962.db2.gz VZEDUPYFTAIQNF-VXGBXAGGSA-N 2 0 327.429 -0.637 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001369446412 1134785034 /nfs/dbraw/zinc/78/50/34/1134785034.db2.gz BTHINLPGPSYJMR-ZIAGYGMSSA-N 2 0 328.457 -0.644 20 0 EBADRP CN(C[C@H](O)C[NH2+]CC(=O)N1CCCC1)C(=O)C[N@H+](C)C1CCC1 ZINC001369471986 1134826367 /nfs/dbraw/zinc/82/63/67/1134826367.db2.gz LBYCUYZZZUUMEV-OAHLLOKOSA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1)C(=O)N(C)C ZINC001369475769 1134835443 /nfs/dbraw/zinc/83/54/43/1134835443.db2.gz SPPUESOSIKVOTE-CHWSQXEVSA-N 2 0 328.457 -0.644 20 0 EBADRP Cc1nn(C)cc1C[NH2+]C[C@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001369489474 1134863370 /nfs/dbraw/zinc/86/33/70/1134863370.db2.gz VTFSAFXJUYCTLA-HNNXBMFYSA-N 2 0 337.468 -0.021 20 0 EBADRP CN(C[C@@H](O)C[N@H+](C)CCc1ccnn1C)C(=O)[C@H]1CCC[NH+]1C ZINC001369501035 1134885802 /nfs/dbraw/zinc/88/58/02/1134885802.db2.gz GYMANMLZPGGKPD-JKSUJKDBSA-N 2 0 337.468 -0.192 20 0 EBADRP CN(C(=O)CC[NH+](C)C)C1CC[NH+](CCN2CCNC2=O)CC1 ZINC001369779678 1135015269 /nfs/dbraw/zinc/01/52/69/1135015269.db2.gz NRCMUQPGXKJWPQ-UHFFFAOYSA-N 2 0 325.457 -0.114 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C2)CC1 ZINC001370014300 1135174562 /nfs/dbraw/zinc/17/45/62/1135174562.db2.gz HBMLVIFFKJSJCC-CABCVRRESA-N 2 0 335.452 -0.224 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@H]([NH2+]CCN2CCNC2=O)C2CC2)CC[N@@H+]1C ZINC001370170579 1135234623 /nfs/dbraw/zinc/23/46/23/1135234623.db2.gz JONIKWBOHUBZCP-YUELXQCFSA-N 2 0 337.468 -0.164 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]([NH2+]CC(=O)NC(N)=O)C2CC2)C1 ZINC001370257309 1135272602 /nfs/dbraw/zinc/27/26/02/1135272602.db2.gz QJNSRPOARDRIKQ-JQWIXIFHSA-N 2 0 325.413 -0.993 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001370389040 1135328648 /nfs/dbraw/zinc/32/86/48/1135328648.db2.gz KDLRKWUJQWUDJY-QWHCGFSZSA-N 2 0 339.440 -0.365 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001370408664 1135339655 /nfs/dbraw/zinc/33/96/55/1135339655.db2.gz MEOHSEJMSGUPRW-KGLIPLIRSA-N 2 0 347.481 -0.810 20 0 EBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001370409607 1135339728 /nfs/dbraw/zinc/33/97/28/1135339728.db2.gz VXTALAUMRCFRFK-ILXRZTDVSA-N 2 0 329.441 -0.848 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001370653831 1135457040 /nfs/dbraw/zinc/45/70/40/1135457040.db2.gz IVMMVBUWODWILR-FRRDWIJNSA-N 2 0 339.440 -0.462 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001370666629 1135470051 /nfs/dbraw/zinc/47/00/51/1135470051.db2.gz OIAHZDOZQSUYQH-TXEJJXNPSA-N 2 0 325.413 -0.837 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001370710841 1135533107 /nfs/dbraw/zinc/53/31/07/1135533107.db2.gz ZHXGXRRRHYDERD-CABCVRRESA-N 2 0 340.468 -0.593 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@H](CO)NC(=O)C1([NH+](C)C)CCC1)[NH+](C)C ZINC001370758039 1135600703 /nfs/dbraw/zinc/60/07/03/1135600703.db2.gz QZYAMBPSLXXPTG-KGLIPLIRSA-N 2 0 342.484 -0.350 20 0 EBADRP CN(C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)C[NH+]1CCCC1 ZINC001371004898 1135762765 /nfs/dbraw/zinc/76/27/65/1135762765.db2.gz FEKKKOMDDAWXAU-ZIAGYGMSSA-N 2 0 326.441 -0.888 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2CCC([NH2+]CCS(C)(=O)=O)CC2)C1 ZINC001371070396 1135832060 /nfs/dbraw/zinc/83/20/60/1135832060.db2.gz HCRBCQDTDGAILZ-IYXRBSQSSA-N 2 0 331.482 0.000 20 0 EBADRP COCCN(CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)C[NH+]1CCCC1 ZINC001371138385 1135847186 /nfs/dbraw/zinc/84/71/86/1135847186.db2.gz ZDRGRCHGRXJQKO-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001371316302 1135886828 /nfs/dbraw/zinc/88/68/28/1135886828.db2.gz XLQUENGPUHDNNB-ZYHUDNBSSA-N 2 0 325.413 -0.837 20 0 EBADRP Cc1ncc2n1CC[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC(N)=O)C2 ZINC001371365739 1135896954 /nfs/dbraw/zinc/89/69/54/1135896954.db2.gz RJCVRCLRIVJYSP-ONGXEEELSA-N 2 0 336.396 -0.957 20 0 EBADRP C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001371460854 1135921824 /nfs/dbraw/zinc/92/18/24/1135921824.db2.gz UZEANPPQBDJDFC-HZSPNIEDSA-N 2 0 326.441 -0.890 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O)[NH+](C)C ZINC001371461818 1135922648 /nfs/dbraw/zinc/92/26/48/1135922648.db2.gz PJNMUMGWEJWPTD-FMKPAKJESA-N 2 0 342.484 -0.398 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1O ZINC001371470903 1135929054 /nfs/dbraw/zinc/92/90/54/1135929054.db2.gz TXWKABPDOURDIJ-ZIAGYGMSSA-N 2 0 338.452 -0.888 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001371474558 1135931440 /nfs/dbraw/zinc/93/14/40/1135931440.db2.gz SADFPMCEBHEHGI-ZIAGYGMSSA-N 2 0 326.441 -0.888 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O)[NH+](C)C ZINC001371537950 1135960788 /nfs/dbraw/zinc/96/07/88/1135960788.db2.gz PJNMUMGWEJWPTD-YCPHGPKFSA-N 2 0 342.484 -0.398 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001371539523 1135961753 /nfs/dbraw/zinc/96/17/53/1135961753.db2.gz ZWPFSQCSPUDQNG-KFWWJZLASA-N 2 0 342.484 -0.254 20 0 EBADRP C[C@H](CCNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001371768505 1136017205 /nfs/dbraw/zinc/01/72/05/1136017205.db2.gz GFGWRRWZCALZDG-CHWSQXEVSA-N 2 0 338.456 -0.033 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001371835859 1136030284 /nfs/dbraw/zinc/03/02/84/1136030284.db2.gz DHYFFDGZJZLFEW-HUUCEWRRSA-N 2 0 342.484 -0.254 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]1O ZINC001371845465 1136034646 /nfs/dbraw/zinc/03/46/46/1136034646.db2.gz KMFRNAORXRXCPF-CABCVRRESA-N 2 0 342.484 -0.254 20 0 EBADRP C[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)C[C@H](O)Cn1cccn1 ZINC001372032071 1136093598 /nfs/dbraw/zinc/09/35/98/1136093598.db2.gz ZRUCFEBUUMTSOX-HNNXBMFYSA-N 2 0 335.452 -0.080 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001373322277 1136428610 /nfs/dbraw/zinc/42/86/10/1136428610.db2.gz WUEGKUZMUJPDQZ-LBPRGKRZSA-N 2 0 341.456 -0.308 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001373385296 1136441685 /nfs/dbraw/zinc/44/16/85/1136441685.db2.gz ZWBIYDGAKVEIKP-OAGGEKHMSA-N 2 0 343.468 -0.457 20 0 EBADRP COC[C@@H](O)C[NH+]1CC(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001373523216 1136483755 /nfs/dbraw/zinc/48/37/55/1136483755.db2.gz XPLSITWSOPAQAP-HNNXBMFYSA-N 2 0 345.403 -0.064 20 0 EBADRP CN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001373680998 1136535736 /nfs/dbraw/zinc/53/57/36/1136535736.db2.gz QMDLEMPQMYVPHV-CQSZACIVSA-N 2 0 325.457 -0.114 20 0 EBADRP C[C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)C[NH2+]Cc1cnon1 ZINC001374109961 1136624017 /nfs/dbraw/zinc/62/40/17/1136624017.db2.gz QUHYCKAVOWDONT-OLZOCXBDSA-N 2 0 325.413 -0.120 20 0 EBADRP C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001374227106 1136653067 /nfs/dbraw/zinc/65/30/67/1136653067.db2.gz UZPGOGGZNGLHAZ-YPMHNXCESA-N 2 0 336.440 -0.613 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001374231480 1136653936 /nfs/dbraw/zinc/65/39/36/1136653936.db2.gz FJBCNGBSZFBJTO-RYUDHWBXSA-N 2 0 341.456 -0.249 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001374275660 1136663860 /nfs/dbraw/zinc/66/38/60/1136663860.db2.gz JIVJFHOPEYLDLY-NEPJUHHUSA-N 2 0 341.456 -0.391 20 0 EBADRP CC(C)C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374354837 1136677782 /nfs/dbraw/zinc/67/77/82/1136677782.db2.gz TVAMVYZJOCVOJB-CHWSQXEVSA-N 2 0 341.456 -0.356 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCc1ccccc1 ZINC001374589191 1136731510 /nfs/dbraw/zinc/73/15/10/1136731510.db2.gz HKDILBZYVGKJIH-HOTGVXAUSA-N 2 0 348.447 -0.536 20 0 EBADRP CCN(CC)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001374616163 1136749804 /nfs/dbraw/zinc/74/98/04/1136749804.db2.gz DKKCRGACGGTEPG-UONOGXRCSA-N 2 0 328.457 -0.594 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001374619291 1136753454 /nfs/dbraw/zinc/75/34/54/1136753454.db2.gz QFRBWNVPLQESBA-CYBMUJFWSA-N 2 0 328.457 -0.548 20 0 EBADRP COC[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001374624250 1136756417 /nfs/dbraw/zinc/75/64/17/1136756417.db2.gz IBNKPONKZWFNRM-OCCSQVGLSA-N 2 0 333.392 -0.018 20 0 EBADRP COc1nccc(C[NH2+]C[C@@H](O)CNC(=O)C23CCC[NH+]2CCC3)n1 ZINC001374625203 1136757324 /nfs/dbraw/zinc/75/73/24/1136757324.db2.gz PVAVVGYCTMMRDT-CQSZACIVSA-N 2 0 349.435 -0.320 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]C[C@H]1COc2ccccc2O1 ZINC001374640203 1136768690 /nfs/dbraw/zinc/76/86/90/1136768690.db2.gz GROXZYLBLHOOAJ-KGLIPLIRSA-N 2 0 337.420 -0.155 20 0 EBADRP C[C@H](C[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1)CS(C)(=O)=O ZINC001374641102 1136769168 /nfs/dbraw/zinc/76/91/68/1136769168.db2.gz IOXLHTIXVZPEQQ-TZMCWYRMSA-N 2 0 349.497 -0.924 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C)[NH+](C)C ZINC001374646217 1136771854 /nfs/dbraw/zinc/77/18/54/1136771854.db2.gz NCQGCOHDEOKTRO-GXTWGEPZSA-N 2 0 330.473 -0.446 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001374654243 1136777684 /nfs/dbraw/zinc/77/76/84/1136777684.db2.gz WZISULMWTYRIKL-GJZGRUSLSA-N 2 0 342.484 -0.158 20 0 EBADRP Cc1nnsc1C[NH2+]C[C@H](O)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001374677270 1136794818 /nfs/dbraw/zinc/79/48/18/1136794818.db2.gz YOWRYVWMIKMXDQ-WCQYABFASA-N 2 0 329.470 -0.001 20 0 EBADRP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)C[NH+]2CCOCC2)on1 ZINC001374683762 1136799725 /nfs/dbraw/zinc/79/97/25/1136799725.db2.gz KAOSKMHFAFSGJG-GXTWGEPZSA-N 2 0 340.424 -0.482 20 0 EBADRP CC[C@@H](C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1)[NH+](C)C ZINC001374717741 1136812248 /nfs/dbraw/zinc/81/22/48/1136812248.db2.gz IBUCNEIPMWDUCO-LSDHHAIUSA-N 2 0 340.468 -0.237 20 0 EBADRP C[C@H](C[NH2+]CC(=O)Nc1cnccn1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001374754505 1136823221 /nfs/dbraw/zinc/82/32/21/1136823221.db2.gz AZFZUNAUTFJQKN-OCCSQVGLSA-N 2 0 346.435 -0.149 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)s1 ZINC001374841973 1136849359 /nfs/dbraw/zinc/84/93/59/1136849359.db2.gz GJXTZNBJFXKEHT-KOLCDFICSA-N 2 0 340.453 -0.169 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001374951753 1136882597 /nfs/dbraw/zinc/88/25/97/1136882597.db2.gz CRVYCGFXFJKZAO-NWDGAFQWSA-N 2 0 341.456 -0.216 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001374982539 1136889136 /nfs/dbraw/zinc/88/91/36/1136889136.db2.gz SHVRRUSXWHPECA-STQMWFEESA-N 2 0 341.456 -0.199 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCO1 ZINC000332008086 282122512 /nfs/dbraw/zinc/12/25/12/282122512.db2.gz CXNBMLCYMWIOHT-KFWWJZLASA-N 2 0 338.452 -0.482 20 0 EBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000643576791 375910919 /nfs/dbraw/zinc/91/09/19/375910919.db2.gz ZHVNMZLUEFBMKY-HUUCEWRRSA-N 2 0 337.468 -0.955 20 0 EBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)CC[C@H]21 ZINC000643549869 375895588 /nfs/dbraw/zinc/89/55/88/375895588.db2.gz XYVXMRWJRHJDHT-LVQVYYBASA-N 2 0 334.464 -0.003 20 0 EBADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)[N@H+](C)C1 ZINC000643590371 375915341 /nfs/dbraw/zinc/91/53/41/375915341.db2.gz VQQGUEBRSCDQHL-XGUBFFRZSA-N 2 0 338.452 -0.483 20 0 EBADRP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CCC[C@H](Cn3ccnn3)C2)C1=O ZINC000533549476 376003818 /nfs/dbraw/zinc/00/38/18/376003818.db2.gz WTOFLMFWPRDHFL-UONOGXRCSA-N 2 0 334.424 -0.321 20 0 EBADRP CNC(=O)CN1CCC(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000332982756 376040835 /nfs/dbraw/zinc/04/08/35/376040835.db2.gz PNJYBGCWRMBSIF-QGZVFWFLSA-N 2 0 337.468 -0.066 20 0 EBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)CCO1 ZINC000642780498 376118815 /nfs/dbraw/zinc/11/88/15/376118815.db2.gz HXSVNJFIZXMBHP-CZUORRHYSA-N 2 0 348.447 -0.061 20 0 EBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CCO1 ZINC000642787613 376151965 /nfs/dbraw/zinc/15/19/65/376151965.db2.gz BOIXNDKYKWAAOA-ZIAGYGMSSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@@H](O)[C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000584218029 376220665 /nfs/dbraw/zinc/22/06/65/376220665.db2.gz UOSTUFOVACXCBO-HUUCEWRRSA-N 2 0 342.484 -0.442 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CCO1 ZINC000642809768 376361212 /nfs/dbraw/zinc/36/12/12/376361212.db2.gz NUDVTICJRUTUIM-MJBXVCDLSA-N 2 0 340.468 -0.202 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CCO1 ZINC000642809766 376361619 /nfs/dbraw/zinc/36/16/19/376361619.db2.gz NUDVTICJRUTUIM-IHRRRGAJSA-N 2 0 340.468 -0.202 20 0 EBADRP COCC[N@@H+]1CC[C@H](NS(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000632254997 376391808 /nfs/dbraw/zinc/39/18/08/376391808.db2.gz GSMSDARYMDQTBT-HNNXBMFYSA-N 2 0 348.513 -0.736 20 0 EBADRP COC(=O)C(C)(C)CS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000588888122 376397023 /nfs/dbraw/zinc/39/70/23/376397023.db2.gz KCUOBRLLUHLURA-UHFFFAOYSA-N 2 0 337.486 -0.059 20 0 EBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000642892961 376527567 /nfs/dbraw/zinc/52/75/67/376527567.db2.gz JRSYOKZCLDHNBA-CABCVRRESA-N 2 0 337.468 -0.907 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1cccnc1 ZINC000559620589 376598136 /nfs/dbraw/zinc/59/81/36/376598136.db2.gz RNUBVZJKJWELGN-UHFFFAOYSA-N 2 0 335.452 -0.308 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1nccs1 ZINC000560248888 376663820 /nfs/dbraw/zinc/66/38/20/376663820.db2.gz NXKIDPQLPWFMHJ-UHFFFAOYSA-N 2 0 327.454 -0.289 20 0 EBADRP CCOC(=O)[C@H]1C[N@H+](C[C@@H](O)CN(C)CCOC)CC12COC2 ZINC000583389647 376766507 /nfs/dbraw/zinc/76/65/07/376766507.db2.gz SWJDEFYNZFPKDB-UONOGXRCSA-N 2 0 330.425 -0.563 20 0 EBADRP CCc1nn(C)cc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000561472748 376848045 /nfs/dbraw/zinc/84/80/45/376848045.db2.gz AVQWBXNACGJIAG-UHFFFAOYSA-N 2 0 338.456 -0.127 20 0 EBADRP C[NH+](C)C[C@](C)(O)CNc1cc(NC[C@@](C)(O)C[NH+](C)C)ncn1 ZINC000128204723 376870269 /nfs/dbraw/zinc/87/02/69/376870269.db2.gz LWSWJHNJMYAFIE-HZPDHXFCSA-N 2 0 340.472 -0.074 20 0 EBADRP C[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000158357070 376940854 /nfs/dbraw/zinc/94/08/54/376940854.db2.gz BZBCLYMSAJKFAD-ZDUSSCGKSA-N 2 0 325.457 -0.033 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000642946653 377018652 /nfs/dbraw/zinc/01/86/52/377018652.db2.gz AVUGIXVVSAUNCH-LSDHHAIUSA-N 2 0 339.484 -0.676 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCn2c3ccccc3oc2=O)CC1 ZINC000564563943 377049448 /nfs/dbraw/zinc/04/94/48/377049448.db2.gz KOWMPNSPFMESCU-CQSZACIVSA-N 2 0 334.420 -0.208 20 0 EBADRP CN1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000562820591 377001010 /nfs/dbraw/zinc/00/10/10/377001010.db2.gz ISTDEDOGOUYXBT-MRXNPFEDSA-N 2 0 347.463 -0.664 20 0 EBADRP C[NH+]1CC[C@@H](CC(=O)N[C@H](CO)CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000635794271 377122829 /nfs/dbraw/zinc/12/28/29/377122829.db2.gz AVFXNPVQHGSIFX-ILXRZTDVSA-N 2 0 340.468 -0.737 20 0 EBADRP COCC[N@H+](C)CCNC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000588967468 377061905 /nfs/dbraw/zinc/06/19/05/377061905.db2.gz ROQZPGCGFMPDMY-UHFFFAOYSA-N 2 0 329.489 -0.110 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[C@H]2CC[N@H+](C)C2)cn1 ZINC000635607942 377074172 /nfs/dbraw/zinc/07/41/72/377074172.db2.gz TXIURDNMYIQCHU-CYBMUJFWSA-N 2 0 336.440 -0.159 20 0 EBADRP C[C@H](C(=O)N1CCC[C@@H](N2CCNCC2=O)C1)N1CCN(C)CC1 ZINC000573001815 377209545 /nfs/dbraw/zinc/20/95/45/377209545.db2.gz BPHPOHJTDCSGME-HUUCEWRRSA-N 2 0 337.468 -0.955 20 0 EBADRP COCCOCC[N@H+](C)CCC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000636139739 377241131 /nfs/dbraw/zinc/24/11/31/377241131.db2.gz IHOQKPVZFLFCHQ-LSDHHAIUSA-N 2 0 329.441 -0.751 20 0 EBADRP CNS(=O)(=O)C[C@@H]1CCC[N@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000626166818 377323603 /nfs/dbraw/zinc/32/36/03/377323603.db2.gz GQIRBHAQYYOBRV-CQSZACIVSA-N 2 0 346.497 -0.588 20 0 EBADRP CN1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)[C@@H](C[NH3+])C1 ZINC000570919190 377301203 /nfs/dbraw/zinc/30/12/03/377301203.db2.gz IBSONJAPVYZCDZ-WMLDXEAASA-N 2 0 337.468 -0.968 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000642999667 377442236 /nfs/dbraw/zinc/44/22/36/377442236.db2.gz ZBEZUCGBXJLGKV-HUUCEWRRSA-N 2 0 339.484 -0.661 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C[C@@H](C)O1 ZINC000636518744 377543550 /nfs/dbraw/zinc/54/35/50/377543550.db2.gz BDRSEJYNVLKQCE-RBSFLKMASA-N 2 0 328.457 -0.149 20 0 EBADRP O=C(NCC[N@@H+]1CCCOCC1)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000364737878 377654747 /nfs/dbraw/zinc/65/47/47/377654747.db2.gz TTXXLWLJMPDVEQ-GJZGRUSLSA-N 2 0 326.441 -0.129 20 0 EBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592182208 377807559 /nfs/dbraw/zinc/80/75/59/377807559.db2.gz MJHVADVLZIWAPX-UHFFFAOYSA-N 2 0 327.425 -0.196 20 0 EBADRP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000595660582 378022288 /nfs/dbraw/zinc/02/22/88/378022288.db2.gz AMIZJFHDYILIJO-DZGCQCFKSA-N 2 0 327.425 -0.105 20 0 EBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC000601579869 378312324 /nfs/dbraw/zinc/31/23/24/378312324.db2.gz FXUXVTHXFOZGRJ-OWCLPIDISA-N 2 0 349.479 -0.812 20 0 EBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000636945358 378436202 /nfs/dbraw/zinc/43/62/02/378436202.db2.gz WTQDGVOEJAULID-OAGGEKHMSA-N 2 0 340.468 -0.270 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@]1(CC(=O)N[C@@H](C)C[C@H](C)[NH3+])CC[NH2+]C1 ZINC000563169171 378570956 /nfs/dbraw/zinc/57/09/56/378570956.db2.gz GPBLACVVRLDDEQ-CKENWRIRSA-N 3 0 341.500 -0.160 20 0 EBADRP CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000338149958 378740811 /nfs/dbraw/zinc/74/08/11/378740811.db2.gz NLCBFBVHVGWMIV-KBPBESRZSA-N 2 0 346.497 -0.494 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[NH+](C)C2CC2)C1 ZINC000339724076 378982665 /nfs/dbraw/zinc/98/26/65/378982665.db2.gz SSRJWBVGCDSUEI-HNNXBMFYSA-N 2 0 340.468 -0.330 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000339754480 379001662 /nfs/dbraw/zinc/00/16/62/379001662.db2.gz SSGFVHDJVBQWSV-HNNXBMFYSA-N 2 0 339.484 -0.659 20 0 EBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CCCn4ccnc43)CCN2C1=O ZINC000563455681 379028785 /nfs/dbraw/zinc/02/87/85/379028785.db2.gz BAIDRYZCQYFSNZ-JHJVBQTASA-N 2 0 332.408 -0.286 20 0 EBADRP C[C@@H](C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)N1CCOCC1 ZINC000339813903 379044410 /nfs/dbraw/zinc/04/44/10/379044410.db2.gz IRHFQGRCUOGLDQ-AWEZNQCLSA-N 2 0 340.468 -0.377 20 0 EBADRP CN1CCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)[C@@H](C[NH3+])C1 ZINC000563611360 379053782 /nfs/dbraw/zinc/05/37/82/379053782.db2.gz UGHBQEAKFHWXRU-INIZCTEOSA-N 2 0 347.463 -0.534 20 0 EBADRP Cn1c2cc(C[NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)ccc2oc1=O ZINC000629603427 379071262 /nfs/dbraw/zinc/07/12/62/379071262.db2.gz PGSONTUWRGXYOS-CQSZACIVSA-N 2 0 334.420 -0.171 20 0 EBADRP O=C([C@@H]1CCC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C1)N1CC[NH2+]CC1 ZINC000571087915 379073615 /nfs/dbraw/zinc/07/36/15/379073615.db2.gz KTRMLKDEFAUIQI-LSDHHAIUSA-N 2 0 343.493 -0.045 20 0 EBADRP C[NH+](C)CCN1C[C@H](C(=O)NCCCC[NH+]2CCOCC2)CC1=O ZINC000074220959 379097548 /nfs/dbraw/zinc/09/75/48/379097548.db2.gz KTOQEGJEZVNLKL-OAHLLOKOSA-N 2 0 340.468 -0.375 20 0 EBADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1=O ZINC000452793210 379098811 /nfs/dbraw/zinc/09/88/11/379098811.db2.gz HHPDTRNWFOZVRJ-HUUCEWRRSA-N 2 0 340.468 -0.641 20 0 EBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627473474 379121825 /nfs/dbraw/zinc/12/18/25/379121825.db2.gz NWQOPEDPLADMPC-UONOGXRCSA-N 2 0 326.441 -0.719 20 0 EBADRP CC(C)(CNC(=O)C(=O)NCC1([NH3+])CCOCC1)[NH+]1CCCCC1 ZINC000627291500 379122139 /nfs/dbraw/zinc/12/21/39/379122139.db2.gz WEMITGVGPDQWTQ-UHFFFAOYSA-N 2 0 340.468 -0.009 20 0 EBADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)C2)C1 ZINC000629822335 379161742 /nfs/dbraw/zinc/16/17/42/379161742.db2.gz KRGRUIALZAMGPK-KSZLIROESA-N 2 0 334.464 -0.001 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000629792498 379137754 /nfs/dbraw/zinc/13/77/54/379137754.db2.gz QPQJUVRJMPRTPF-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000629800714 379144286 /nfs/dbraw/zinc/14/42/86/379144286.db2.gz ZMYGLVUNUGLZTN-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000629802151 379144441 /nfs/dbraw/zinc/14/44/41/379144441.db2.gz RQROXYVBNJEYOJ-OAHLLOKOSA-N 2 0 340.468 -0.390 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000627297335 379144792 /nfs/dbraw/zinc/14/47/92/379144792.db2.gz HRLZLYSTODWMOI-HOTGVXAUSA-N 2 0 348.447 -0.018 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000629803286 379147977 /nfs/dbraw/zinc/14/79/77/379147977.db2.gz MPQFVWFMFSIXTQ-KGLIPLIRSA-N 2 0 326.441 -0.637 20 0 EBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)CCOCC[NH2+]C ZINC000629804297 379148565 /nfs/dbraw/zinc/14/85/65/379148565.db2.gz XGFGHIXXYMROAK-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C[NH2+]1 ZINC000627479221 379189522 /nfs/dbraw/zinc/18/95/22/379189522.db2.gz YHONKHHJOSZWIW-KFWWJZLASA-N 2 0 340.468 -0.188 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC000458443765 379222291 /nfs/dbraw/zinc/22/22/91/379222291.db2.gz UIGMMUXPGWPEDL-GJZGRUSLSA-N 2 0 328.457 -0.147 20 0 EBADRP CN1CCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)[C@H](C[NH3+])C1 ZINC000571539994 379212944 /nfs/dbraw/zinc/21/29/44/379212944.db2.gz SGVRAUCNLFQCRH-CQSZACIVSA-N 2 0 325.457 -0.920 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C)C[C@H](C(=O)OC)C2)C1 ZINC000413301034 379227984 /nfs/dbraw/zinc/22/79/84/379227984.db2.gz OMTUOBZNMZCGFB-KBPBESRZSA-N 2 0 342.440 -0.547 20 0 EBADRP C[C@@H]1CN(CCO)CCN1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000458607863 379228287 /nfs/dbraw/zinc/22/82/87/379228287.db2.gz XTHVDXVTPGVLCT-OAHLLOKOSA-N 2 0 341.500 -0.280 20 0 EBADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)([NH+](C)C)C1 ZINC000627301707 379228603 /nfs/dbraw/zinc/22/86/03/379228603.db2.gz LZOLJWXWZOZUPF-CPUCHLNUSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+]1CCN(C(C)(C)CNC(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000607229598 379244474 /nfs/dbraw/zinc/24/44/74/379244474.db2.gz ONEWJFFXYVVYFN-UHFFFAOYSA-N 2 0 341.500 -0.232 20 0 EBADRP O=C(CCn1ccnc1)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000265681490 379257525 /nfs/dbraw/zinc/25/75/25/379257525.db2.gz UABCBRVDSBOAPH-AWEZNQCLSA-N 2 0 335.408 -0.678 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627328793 379335298 /nfs/dbraw/zinc/33/52/98/379335298.db2.gz NXYSVMTTYKNMAJ-CABCVRRESA-N 2 0 340.468 -0.425 20 0 EBADRP C[C@H](CNC(=O)C(=O)NCCOCCC[NH3+])[NH+]1CCC(C)CC1 ZINC000627331569 379340167 /nfs/dbraw/zinc/34/01/67/379340167.db2.gz AZBIPGURBNSYRN-CQSZACIVSA-N 2 0 328.457 -0.295 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000627332335 379340507 /nfs/dbraw/zinc/34/05/07/379340507.db2.gz XDOHXUYESMVBPJ-OAHLLOKOSA-N 2 0 342.484 -0.083 20 0 EBADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627312235 379303241 /nfs/dbraw/zinc/30/32/41/379303241.db2.gz UGWJTRALHXFMNV-BARDWOONSA-N 2 0 340.468 -0.426 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000627338043 379374808 /nfs/dbraw/zinc/37/48/08/379374808.db2.gz TYIFWDNMQOOZTM-LSDHHAIUSA-N 2 0 339.484 -0.615 20 0 EBADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000627338741 379375416 /nfs/dbraw/zinc/37/54/16/379375416.db2.gz OYDWRLVCNPQYTI-CQSZACIVSA-N 2 0 334.420 -0.279 20 0 EBADRP C[NH+](C)CCOCCNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000471633281 379375876 /nfs/dbraw/zinc/37/58/76/379375876.db2.gz FKEDUVAXHJEKKZ-HNNXBMFYSA-N 2 0 328.457 -0.072 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622027453 379396840 /nfs/dbraw/zinc/39/68/40/379396840.db2.gz CLHRASCEMIIOFL-PBHICJAKSA-N 3 0 339.484 -0.722 20 0 EBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1COCCN1 ZINC000269312227 379360788 /nfs/dbraw/zinc/36/07/88/379360788.db2.gz XDILVNZOYYAHDK-MRXNPFEDSA-N 2 0 333.436 -0.302 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CCSC1 ZINC000621842892 379367611 /nfs/dbraw/zinc/36/76/11/379367611.db2.gz BALKNQBNOKPNHN-KCXAZCMYSA-N 2 0 340.493 -0.120 20 0 EBADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)NCCCC[NH+]1CCOCC1)C2 ZINC000621844706 379369477 /nfs/dbraw/zinc/36/94/77/379369477.db2.gz VQHJNYYWFAZNDF-YOEHRIQHSA-N 2 0 338.452 -0.445 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000627349136 379409953 /nfs/dbraw/zinc/40/99/53/379409953.db2.gz CWLPWPQCVJLFRS-OLZOCXBDSA-N 2 0 326.441 -0.578 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000627389253 379578959 /nfs/dbraw/zinc/57/89/59/379578959.db2.gz XWHGPDVTBYMPEM-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627394551 379579840 /nfs/dbraw/zinc/57/98/40/379579840.db2.gz KCPCHTLEEPIOGP-ZDUSSCGKSA-N 2 0 340.468 -0.153 20 0 EBADRP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCOCC1 ZINC000627425351 379592336 /nfs/dbraw/zinc/59/23/36/379592336.db2.gz MUZOUTSVNPYXEJ-ZIAGYGMSSA-N 2 0 338.452 -0.256 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)CCO1 ZINC000642080372 379558871 /nfs/dbraw/zinc/55/88/71/379558871.db2.gz PDJHETZSKNTRPB-QWHCGFSZSA-N 2 0 326.441 -0.448 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000627366928 379568019 /nfs/dbraw/zinc/56/80/19/379568019.db2.gz FWAZHQYDDHRKFW-MELADBBJSA-N 2 0 326.441 -0.530 20 0 EBADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627364621 379568314 /nfs/dbraw/zinc/56/83/14/379568314.db2.gz SVAPJFHYWNNXCE-HUUCEWRRSA-N 2 0 340.468 -0.281 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000627367261 379569667 /nfs/dbraw/zinc/56/96/67/379569667.db2.gz OKHNSUBJIFDPBR-GJZGRUSLSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000627500230 379646437 /nfs/dbraw/zinc/64/64/37/379646437.db2.gz SRIJPFRHBQINSK-GXTWGEPZSA-N 2 0 326.441 -0.578 20 0 EBADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627452586 379604370 /nfs/dbraw/zinc/60/43/70/379604370.db2.gz OHQMSUZPIOVHAG-ZIAGYGMSSA-N 2 0 340.468 -0.010 20 0 EBADRP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000627455306 379605456 /nfs/dbraw/zinc/60/54/56/379605456.db2.gz RNSXBDMIYWLFSR-ZIAGYGMSSA-N 2 0 340.468 -0.153 20 0 EBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627455161 379605697 /nfs/dbraw/zinc/60/56/97/379605697.db2.gz NDYRIOOQJYYUJA-CYBMUJFWSA-N 2 0 326.441 -0.401 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000627455304 379606212 /nfs/dbraw/zinc/60/62/12/379606212.db2.gz RNSXBDMIYWLFSR-KGLIPLIRSA-N 2 0 340.468 -0.153 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000627461496 379610523 /nfs/dbraw/zinc/61/05/23/379610523.db2.gz RFRZKSANCBTWSG-ZIAGYGMSSA-N 2 0 328.457 -0.282 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000627465057 379613723 /nfs/dbraw/zinc/61/37/23/379613723.db2.gz WAJHCPXGRGBUKR-UONOGXRCSA-N 2 0 326.441 -0.719 20 0 EBADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000627469935 379617389 /nfs/dbraw/zinc/61/73/89/379617389.db2.gz IMVAVIABHAGHLK-AWEZNQCLSA-N 2 0 338.452 -0.432 20 0 EBADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627475863 379625644 /nfs/dbraw/zinc/62/56/44/379625644.db2.gz WBSJZOHPLXULDW-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[NH+]1CCC(CCNC(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000642180626 379734627 /nfs/dbraw/zinc/73/46/27/379734627.db2.gz TZKJMQSAVOUPHB-DZGCQCFKSA-N 2 0 340.468 -0.201 20 0 EBADRP [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631946904 379790235 /nfs/dbraw/zinc/79/02/35/379790235.db2.gz NOZZQEAKJUPCEE-UKRRQHHQSA-N 2 0 325.434 -0.137 20 0 EBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000631953280 379792155 /nfs/dbraw/zinc/79/21/55/379792155.db2.gz GVEUGDFRYHKNFW-OAHLLOKOSA-N 2 0 348.513 -0.042 20 0 EBADRP COC(CNC(=O)C1([NH+](C)C)CC1)CNC(=O)C1([NH+](C)C)CC1 ZINC000613426353 379798490 /nfs/dbraw/zinc/79/84/90/379798490.db2.gz IEFLUNDZQOJAAO-UHFFFAOYSA-N 2 0 326.441 -0.578 20 0 EBADRP CCCC[C@H](C[NH3+])NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627080676 379799176 /nfs/dbraw/zinc/79/91/76/379799176.db2.gz RTWCVWRWRMWCAJ-CQSZACIVSA-N 2 0 340.472 -0.144 20 0 EBADRP [NH3+]C[C@@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC[C@@H]1C(F)(F)F ZINC000631954625 379764516 /nfs/dbraw/zinc/76/45/16/379764516.db2.gz SKQAIHNGCUCWES-VWYCJHECSA-N 2 0 345.387 -0.236 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C[NH2+]1 ZINC000626979815 379770926 /nfs/dbraw/zinc/77/09/26/379770926.db2.gz LSLDXXUSFDSOEG-PMPSAXMXSA-N 2 0 339.484 -0.167 20 0 EBADRP CN(CCOCC[NH3+])C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000627002848 379775217 /nfs/dbraw/zinc/77/52/17/379775217.db2.gz WZYSQYUBDQEUKP-LSDHHAIUSA-N 2 0 328.457 -0.019 20 0 EBADRP COC[C@]1(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCCC[NH2+]1 ZINC000637820333 379866142 /nfs/dbraw/zinc/86/61/42/379866142.db2.gz WQZSLLBQJCPIRS-BBRMVZONSA-N 2 0 326.441 -0.541 20 0 EBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000637813947 379866326 /nfs/dbraw/zinc/86/63/26/379866326.db2.gz UGGDCEYLAWQCAS-KEYYUXOJSA-N 2 0 338.452 -0.576 20 0 EBADRP C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632107109 379817102 /nfs/dbraw/zinc/81/71/02/379817102.db2.gz WQSPUXQUFSDJHJ-HNNXBMFYSA-N 2 0 332.514 -0.020 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000632187579 379824872 /nfs/dbraw/zinc/82/48/72/379824872.db2.gz CMRGKPJRWOAQTO-HZPDHXFCSA-N 2 0 344.525 -0.020 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC[NH2+]1 ZINC000633002237 379920699 /nfs/dbraw/zinc/92/06/99/379920699.db2.gz OFOLSACCKXQTAG-LBPRGKRZSA-N 2 0 334.424 -0.091 20 0 EBADRP CC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000633106738 379939966 /nfs/dbraw/zinc/93/99/66/379939966.db2.gz VYOZEGFORBYCPQ-CQSZACIVSA-N 2 0 338.452 -0.351 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@](C)(O)C[NH+](C)C)CC1 ZINC000128587688 380002256 /nfs/dbraw/zinc/00/22/56/380002256.db2.gz ZFACNALUYCHHID-WBVHZDCISA-N 2 0 343.516 -0.128 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638099914 380136269 /nfs/dbraw/zinc/13/62/69/380136269.db2.gz WJCGBYRBEZYUBB-KRWDZBQOSA-N 2 0 340.468 -0.246 20 0 EBADRP C[NH+](C)C1CCN(CCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000354751207 380091824 /nfs/dbraw/zinc/09/18/24/380091824.db2.gz IWNPYRWFFALWLW-HNNXBMFYSA-N 2 0 339.484 -0.613 20 0 EBADRP C[NH+](C)C1CCN(CCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000354751209 380091838 /nfs/dbraw/zinc/09/18/38/380091838.db2.gz IWNPYRWFFALWLW-OAHLLOKOSA-N 2 0 339.484 -0.613 20 0 EBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000638088431 380113239 /nfs/dbraw/zinc/11/32/39/380113239.db2.gz CQXYZVRCXBZVCZ-XEZPLFJOSA-N 2 0 326.441 -0.543 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638096606 380128899 /nfs/dbraw/zinc/12/88/99/380128899.db2.gz KNFQXZOEBYXJIP-PBHICJAKSA-N 2 0 340.468 -0.199 20 0 EBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000355280868 380179163 /nfs/dbraw/zinc/17/91/63/380179163.db2.gz PZYOMHGBRRHSAH-AWEZNQCLSA-N 2 0 342.484 -0.252 20 0 EBADRP CN(CC(=O)N1CCN(Cc2ccco2)CC1)CC(C)(CO)CO ZINC000135843651 380182805 /nfs/dbraw/zinc/18/28/05/380182805.db2.gz IGBNDIDEMZRTDF-UHFFFAOYSA-N 2 0 339.436 -0.154 20 0 EBADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000638140921 380203826 /nfs/dbraw/zinc/20/38/26/380203826.db2.gz PPILWMGMUFFPSI-CVEARBPZSA-N 3 0 333.436 -0.174 20 0 EBADRP C[C@](O)(CNC(=O)N[C@@H]1CCn2ccnc2C1)CN1CCOCC1 ZINC000547675442 380153280 /nfs/dbraw/zinc/15/32/80/380153280.db2.gz MOASDGFOCPPIOB-CJNGLKHVSA-N 2 0 337.424 -0.420 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000355142484 380154075 /nfs/dbraw/zinc/15/40/75/380154075.db2.gz WSSYSQXNJDDIEZ-ZFWWWQNUSA-N 2 0 338.452 -0.434 20 0 EBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638112057 380159305 /nfs/dbraw/zinc/15/93/05/380159305.db2.gz JILVOFQFOPIKKV-KRWDZBQOSA-N 2 0 340.468 -0.199 20 0 EBADRP C[C@]1(CO)C[C@H](O)C[NH+]1CC1(C[N@H+]2C[C@H](O)C[C@]2(C)CO)CCC1 ZINC000639847568 380223769 /nfs/dbraw/zinc/22/37/69/380223769.db2.gz CGHGMQVHGJYUIF-YYIAUSFCSA-N 2 0 342.480 -0.208 20 0 EBADRP CN(C[C@@H](O)CNC(=O)C1([NH+](C)C)CC1)C(=O)C1([NH+](C)C)CC1 ZINC000615214813 380294618 /nfs/dbraw/zinc/29/46/18/380294618.db2.gz GVFWUQMSCWWWDO-LBPRGKRZSA-N 2 0 326.441 -0.890 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000552968166 380312980 /nfs/dbraw/zinc/31/29/80/380312980.db2.gz SCOKBQBPQUPTFY-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000564430387 380372276 /nfs/dbraw/zinc/37/22/76/380372276.db2.gz COQYMAOJTCEMFZ-JKSUJKDBSA-N 2 0 339.484 -0.214 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000564792872 380380744 /nfs/dbraw/zinc/38/07/44/380380744.db2.gz DHBRGNLPRLWVGP-CVEARBPZSA-N 2 0 334.468 -0.357 20 0 EBADRP CN1CCO[C@@H](C(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)C1 ZINC000565696660 380430039 /nfs/dbraw/zinc/43/00/39/380430039.db2.gz LJAXUJMEZBHDQM-OAHLLOKOSA-N 2 0 332.404 -0.201 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000362872149 380440910 /nfs/dbraw/zinc/44/09/10/380440910.db2.gz FYSQHMHAKXWRHG-HZSPNIEDSA-N 2 0 331.482 -0.239 20 0 EBADRP CSCC[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000566204011 380454512 /nfs/dbraw/zinc/45/45/12/380454512.db2.gz CINSBEXROTWVIW-STQMWFEESA-N 2 0 328.482 -0.263 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)n1 ZINC000565176681 380403458 /nfs/dbraw/zinc/40/34/58/380403458.db2.gz DNLGKKKVUWCOTB-UHFFFAOYSA-N 2 0 336.440 -0.709 20 0 EBADRP CC[N@H+](C)C[C@@H](O)CN1CC(C(=O)NC(CC)(CC)C(N)=O)C1 ZINC000565174988 380404154 /nfs/dbraw/zinc/40/41/54/380404154.db2.gz UQQDGUSBGKLNNZ-CYBMUJFWSA-N 2 0 328.457 -0.609 20 0 EBADRP CC[NH+]1CCN([C@H](C)CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000362563635 380411455 /nfs/dbraw/zinc/41/14/55/380411455.db2.gz AXOJSFGEUSUOBJ-HUUCEWRRSA-N 2 0 349.483 -0.042 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000566236680 380456624 /nfs/dbraw/zinc/45/66/24/380456624.db2.gz IMZHVHPYJRRFOV-INIZCTEOSA-N 2 0 348.447 -0.235 20 0 EBADRP Cc1cc(C[NH3+])oc1C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638485254 380484665 /nfs/dbraw/zinc/48/46/65/380484665.db2.gz IAIBKKMGQJHVMR-UHFFFAOYSA-N 2 0 335.408 -0.170 20 0 EBADRP O=C(C[C@@]1(C(=O)N[C@@H]2CCC[NH2+]C2)CC[NH2+]C1)N[C@@H]1CCC[NH2+]C1 ZINC000566859191 380491070 /nfs/dbraw/zinc/49/10/70/380491070.db2.gz QMWZQRVZUDCXTF-CPUCHLNUSA-N 3 0 337.468 -0.907 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000340443883 380500947 /nfs/dbraw/zinc/50/09/47/380500947.db2.gz YSTGKFXGHVMOSF-OAHLLOKOSA-N 2 0 346.497 -0.766 20 0 EBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000340354619 380473402 /nfs/dbraw/zinc/47/34/02/380473402.db2.gz LRQIVLNCZFRWJC-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000567724031 380537838 /nfs/dbraw/zinc/53/78/38/380537838.db2.gz ULFHGYZXQBYGQS-AWEZNQCLSA-N 2 0 340.468 -0.105 20 0 EBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000567806195 380544473 /nfs/dbraw/zinc/54/44/73/380544473.db2.gz VNPCBNWDKJTMEC-KGLIPLIRSA-N 2 0 328.457 -0.345 20 0 EBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000567818326 380546987 /nfs/dbraw/zinc/54/69/87/380546987.db2.gz SZMGFSSRNDSXDQ-KGLIPLIRSA-N 2 0 326.441 -0.496 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000340570060 380547054 /nfs/dbraw/zinc/54/70/54/380547054.db2.gz ALPACOGAVHNQAY-KBPBESRZSA-N 2 0 340.468 -0.188 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000340570066 380547304 /nfs/dbraw/zinc/54/73/04/380547304.db2.gz ALPACOGAVHNQAY-UONOGXRCSA-N 2 0 340.468 -0.188 20 0 EBADRP O=C(COC1C[NH2+]C1)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000567847466 380550460 /nfs/dbraw/zinc/55/04/60/380550460.db2.gz OCVOAISOHBBVCJ-UHFFFAOYSA-N 2 0 334.420 -0.103 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC2)c1 ZINC000567881045 380554371 /nfs/dbraw/zinc/55/43/71/380554371.db2.gz RPWARVWRZTXMJQ-CHWSQXEVSA-N 2 0 349.435 -0.019 20 0 EBADRP C[C@@H](Cn1ccnc1)NC(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000340654849 380577188 /nfs/dbraw/zinc/57/71/88/380577188.db2.gz HYWBUCLKNGNDRQ-ZDUSSCGKSA-N 2 0 345.407 -0.545 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000340794458 380632842 /nfs/dbraw/zinc/63/28/42/380632842.db2.gz HEUIIISNHDLWBA-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000340797061 380633904 /nfs/dbraw/zinc/63/39/04/380633904.db2.gz NVQZPVWMJFVPNQ-HNNXBMFYSA-N 2 0 341.500 -0.604 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000569240900 380635661 /nfs/dbraw/zinc/63/56/61/380635661.db2.gz XTYQPQLINBMLBB-LSDHHAIUSA-N 2 0 329.489 -0.199 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000371341522 380645626 /nfs/dbraw/zinc/64/56/26/380645626.db2.gz OWSAKIMYASZYHL-MRXNPFEDSA-N 2 0 349.479 -0.857 20 0 EBADRP COC[C@H]1CN(CCOCCN2CCO[C@@H](COC)C2)CCO1 ZINC000370159059 380592620 /nfs/dbraw/zinc/59/26/20/380592620.db2.gz ASSSJKQIXLGVFY-HZPDHXFCSA-N 2 0 332.441 -0.303 20 0 EBADRP CN1CCN(C(=O)CC2CC[NH+](CCN3CC[NH2+]CC3)CC2)CC1 ZINC000569009266 380625355 /nfs/dbraw/zinc/62/53/55/380625355.db2.gz ZYJUNODUAKULRA-UHFFFAOYSA-N 2 0 337.512 -0.232 20 0 EBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000573202100 380662013 /nfs/dbraw/zinc/66/20/13/380662013.db2.gz MHEKQMXLECNVGS-RVSPLBMKSA-N 2 0 338.452 -0.591 20 0 EBADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000573268221 380666995 /nfs/dbraw/zinc/66/69/95/380666995.db2.gz SMACDWAVBXWMCF-RBSFLKMASA-N 2 0 337.468 -0.082 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000371724612 380670189 /nfs/dbraw/zinc/67/01/89/380670189.db2.gz SEZGDNRRBSQAAU-ZNMIVQPWSA-N 2 0 326.441 -0.131 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000371724608 380670266 /nfs/dbraw/zinc/67/02/66/380670266.db2.gz SEZGDNRRBSQAAU-KKUMJFAQSA-N 2 0 326.441 -0.131 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000341155764 380673008 /nfs/dbraw/zinc/67/30/08/380673008.db2.gz GGGSUQKJAGKPFT-CVEARBPZSA-N 2 0 341.500 -0.110 20 0 EBADRP O=C(C[C@]1(C(=O)N[C@H]2CCC[NH2+]C2)CC[NH2+]C1)N[C@@H]1CCC[NH2+]C1 ZINC000372222096 380696669 /nfs/dbraw/zinc/69/66/69/380696669.db2.gz QMWZQRVZUDCXTF-JKIFEVAISA-N 3 0 337.468 -0.907 20 0 EBADRP CN1CCN(c2cc(N3CCN4CCOC[C@@H]4C3)ncn2)CC1=O ZINC000372338317 380703747 /nfs/dbraw/zinc/70/37/47/380703747.db2.gz QEVFRSYVKGJCNH-ZDUSSCGKSA-N 2 0 332.408 -0.724 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000574324318 380708165 /nfs/dbraw/zinc/70/81/65/380708165.db2.gz XGUIWFCSEFJKHX-UONOGXRCSA-N 2 0 327.473 -0.676 20 0 EBADRP CC(C)[NH+](CCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])C(C)C ZINC000582350653 380720544 /nfs/dbraw/zinc/72/05/44/380720544.db2.gz LJDUFDXNNHEXHV-CQSZACIVSA-N 2 0 327.473 -0.677 20 0 EBADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])C(C)C ZINC000576493494 380774561 /nfs/dbraw/zinc/77/45/61/380774561.db2.gz HAJSWXBISGOKBK-HNNXBMFYSA-N 2 0 341.500 -0.287 20 0 EBADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)C1 ZINC000577373661 380820118 /nfs/dbraw/zinc/82/01/18/380820118.db2.gz WRQXOTNHYVWQFA-GJZGRUSLSA-N 2 0 337.468 -0.920 20 0 EBADRP CN1CC[C@H](C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)S1(=O)=O ZINC000638985699 380853271 /nfs/dbraw/zinc/85/32/71/380853271.db2.gz MQOSVDSDQVYVJE-GFCCVEGCSA-N 2 0 339.421 -0.536 20 0 EBADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000578052186 380890931 /nfs/dbraw/zinc/89/09/31/380890931.db2.gz RNTDRLBTOZNXFV-ZIAGYGMSSA-N 2 0 325.457 -0.020 20 0 EBADRP CC(C)(CNC(=O)NCC(=O)N1CC[NH2+]CC1)C[NH+]1CCCC1 ZINC000579333281 380982906 /nfs/dbraw/zinc/98/29/06/380982906.db2.gz YGNKWSQPIVGNOQ-UHFFFAOYSA-N 2 0 325.457 -0.161 20 0 EBADRP C[C@@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[N@H+](C)C1CC1 ZINC000417547965 380936123 /nfs/dbraw/zinc/93/61/23/380936123.db2.gz HNIJJEPPYDXQCT-STQMWFEESA-N 2 0 325.457 -0.034 20 0 EBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)CCN2C1=O ZINC000578669383 380944843 /nfs/dbraw/zinc/94/48/43/380944843.db2.gz KJEIKTWTUVKVBD-RBSFLKMASA-N 2 0 335.452 -0.043 20 0 EBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000579735445 381011566 /nfs/dbraw/zinc/01/15/66/381011566.db2.gz CBTQUKGZHARRHL-SOUVJXGZSA-N 2 0 338.452 -0.651 20 0 EBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000579378241 380987402 /nfs/dbraw/zinc/98/74/02/380987402.db2.gz XPHKZZYHFMVSTP-UONOGXRCSA-N 2 0 326.441 -0.672 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000582781280 381070209 /nfs/dbraw/zinc/07/02/09/381070209.db2.gz XLAJBVVJWQYRJN-IRXDYDNUSA-N 2 0 332.448 -0.010 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000581355975 381071342 /nfs/dbraw/zinc/07/13/42/381071342.db2.gz NRUNETJNNWTOBS-ZNMIVQPWSA-N 2 0 340.468 -0.833 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000582971281 381088512 /nfs/dbraw/zinc/08/85/12/381088512.db2.gz WPPOPFUXRJOTTM-UHFFFAOYSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000642431205 381092003 /nfs/dbraw/zinc/09/20/03/381092003.db2.gz WEVRVVXQKPNIPE-RRFJBIMHSA-N 2 0 340.468 -0.058 20 0 EBADRP CC[NH+]1CCC(NC(=O)CN2CCC[N@@H+]([C@H](C)CO)CC2)CC1 ZINC000346663967 381095797 /nfs/dbraw/zinc/09/57/97/381095797.db2.gz XKMZEYOYKROBEP-OAHLLOKOSA-N 2 0 326.485 -0.025 20 0 EBADRP CC[NH+]1CCC(NC(=O)CN2CCC[N@@H+]([C@@H](C)CO)CC2)CC1 ZINC000346663964 381096176 /nfs/dbraw/zinc/09/61/76/381096176.db2.gz XKMZEYOYKROBEP-HNNXBMFYSA-N 2 0 326.485 -0.025 20 0 EBADRP C[C@H]1C[C@H](C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC[NH2+]1 ZINC000581931149 381118097 /nfs/dbraw/zinc/11/80/97/381118097.db2.gz DGTXMRROWYRFIS-UONOGXRCSA-N 2 0 336.436 -0.332 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000347019897 381160307 /nfs/dbraw/zinc/16/03/07/381160307.db2.gz UJYKTRIEPAHTJS-KBPBESRZSA-N 2 0 341.456 -0.654 20 0 EBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)COC2CCC([NH3+])CC2)C1 ZINC000584407700 381126591 /nfs/dbraw/zinc/12/65/91/381126591.db2.gz WURABFDADLFIEC-NFOMZHRRSA-N 2 0 340.468 -0.024 20 0 EBADRP O=C(COC1CC[NH2+]CC1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000584721227 381205058 /nfs/dbraw/zinc/20/50/58/381205058.db2.gz LBSKUXLJMZVJEQ-LBPRGKRZSA-N 2 0 338.374 -0.293 20 0 EBADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CNC(=O)C[NH3+])cc2)C1 ZINC000347697763 381258440 /nfs/dbraw/zinc/25/84/40/381258440.db2.gz QSQAUWBOAUMFLT-CYBMUJFWSA-N 2 0 347.419 -0.603 20 0 EBADRP COCC[NH2+]CCNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000418542837 381247265 /nfs/dbraw/zinc/24/72/65/381247265.db2.gz HTGSJCFOVHBLQH-UHFFFAOYSA-N 2 0 328.457 -0.024 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000418604849 381250239 /nfs/dbraw/zinc/25/02/39/381250239.db2.gz SCTDOHZETHWXRE-CHWSQXEVSA-N 2 0 325.457 -0.021 20 0 EBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000418879687 381326383 /nfs/dbraw/zinc/32/63/83/381326383.db2.gz NUUTTYHJGCJIAZ-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000418876909 381326485 /nfs/dbraw/zinc/32/64/85/381326485.db2.gz HKVXFNVFBMSMLS-ZIAGYGMSSA-N 2 0 328.457 -0.297 20 0 EBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000643478809 381327357 /nfs/dbraw/zinc/32/73/57/381327357.db2.gz HOLZYQZZNSKIMO-CQSZACIVSA-N 2 0 331.420 -0.059 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CCCCCC1 ZINC000418900594 381335015 /nfs/dbraw/zinc/33/50/15/381335015.db2.gz MZRFBRWTNHMBOS-CQSZACIVSA-N 2 0 340.468 -0.057 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)C1 ZINC000418920398 381340905 /nfs/dbraw/zinc/34/09/05/381340905.db2.gz KYHQVRKMBMKDHZ-QLFBSQMISA-N 2 0 340.468 -0.332 20 0 EBADRP C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)C(C)(C)C[NH+](C)C ZINC000348006648 381309552 /nfs/dbraw/zinc/30/95/52/381309552.db2.gz JCOCONOYDXBQGA-UONOGXRCSA-N 2 0 341.500 -0.559 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)C1 ZINC000418920400 381341388 /nfs/dbraw/zinc/34/13/88/381341388.db2.gz KYHQVRKMBMKDHZ-SOUVJXGZSA-N 2 0 340.468 -0.332 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000418911241 381343713 /nfs/dbraw/zinc/34/37/13/381343713.db2.gz CKWSAUXPDJFVSO-WMLDXEAASA-N 2 0 342.484 -0.035 20 0 EBADRP C[C@H]1CCC[C@](CNC(=O)C(=O)N(CC[NH3+])CCO)([NH+](C)C)C1 ZINC000418913590 381346863 /nfs/dbraw/zinc/34/68/63/381346863.db2.gz GMBXZJOOVIIQTJ-BBRMVZONSA-N 2 0 328.457 -0.607 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)C1 ZINC000418916518 381347670 /nfs/dbraw/zinc/34/76/70/381347670.db2.gz HCLJYAWBNQWMAY-RRFJBIMHSA-N 2 0 340.468 -0.345 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)C1 ZINC000418916519 381347798 /nfs/dbraw/zinc/34/77/98/381347798.db2.gz HCLJYAWBNQWMAY-SOUVJXGZSA-N 2 0 340.468 -0.345 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)C1 ZINC000418912760 381347984 /nfs/dbraw/zinc/34/79/84/381347984.db2.gz DLLKKPDBLGQCBQ-SOUVJXGZSA-N 2 0 340.468 -0.332 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)Cc1ccccc1 ZINC000418949574 381350346 /nfs/dbraw/zinc/35/03/46/381350346.db2.gz UZGOLMYDCUEALB-MRXNPFEDSA-N 2 0 348.447 -0.271 20 0 EBADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000419037497 381359805 /nfs/dbraw/zinc/35/98/05/381359805.db2.gz CYJKJAARKBBXIB-AWEZNQCLSA-N 2 0 340.468 -0.188 20 0 EBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419085037 381365179 /nfs/dbraw/zinc/36/51/79/381365179.db2.gz ZINZBIXSHYZCCO-HNNXBMFYSA-N 2 0 339.484 -0.612 20 0 EBADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000419096445 381376167 /nfs/dbraw/zinc/37/61/67/381376167.db2.gz CKUUNBXIOLXAAJ-RDBSUJKOSA-N 2 0 326.441 -0.842 20 0 EBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1(C)C ZINC000419186777 381403997 /nfs/dbraw/zinc/40/39/97/381403997.db2.gz QIIMRECDUSHZRW-AWEZNQCLSA-N 2 0 339.484 -0.613 20 0 EBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000419187314 381404223 /nfs/dbraw/zinc/40/42/23/381404223.db2.gz QZGSRHPPEIUCCW-CQSZACIVSA-N 2 0 341.500 -0.382 20 0 EBADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419122525 381381668 /nfs/dbraw/zinc/38/16/68/381381668.db2.gz NPRBKXVAFSGKKP-HUUCEWRRSA-N 2 0 340.468 -0.138 20 0 EBADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419125717 381386057 /nfs/dbraw/zinc/38/60/57/381386057.db2.gz UQTZVYXXPXZBFZ-KBPBESRZSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[NH+]1CCC(C)CC1 ZINC000419145989 381397349 /nfs/dbraw/zinc/39/73/49/381397349.db2.gz HCEYUCKGKUHRNS-GJZGRUSLSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000419212936 381399920 /nfs/dbraw/zinc/39/99/20/381399920.db2.gz KUDNTWQJBHKOCS-CQSZACIVSA-N 2 0 334.420 -0.197 20 0 EBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000419415587 381430770 /nfs/dbraw/zinc/43/07/70/381430770.db2.gz VHKWAWBUAPVFHA-KBPBESRZSA-N 2 0 326.441 -0.589 20 0 EBADRP [NH3+]CCN(CCO)C(=O)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000419417716 381432122 /nfs/dbraw/zinc/43/21/22/381432122.db2.gz IBPNAYSALFLSNF-INIZCTEOSA-N 2 0 348.447 -0.281 20 0 EBADRP CN(CC[NH3+])C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419426124 381436784 /nfs/dbraw/zinc/43/67/84/381436784.db2.gz WWHKHDWDFCYQEL-UHFFFAOYSA-N 2 0 347.463 -0.268 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000419444655 381438600 /nfs/dbraw/zinc/43/86/00/381438600.db2.gz DFGCMBKQWKERFK-ZIAGYGMSSA-N 2 0 328.457 -0.295 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419533865 381448595 /nfs/dbraw/zinc/44/85/95/381448595.db2.gz JLMUTMWTIBQJGG-UONOGXRCSA-N 2 0 326.441 -0.447 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000419529537 381448795 /nfs/dbraw/zinc/44/87/95/381448795.db2.gz CWCPDEJMGSRULT-PBHICJAKSA-N 2 0 340.468 -0.281 20 0 EBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000419691911 381472406 /nfs/dbraw/zinc/47/24/06/381472406.db2.gz AVGPIEBEHLULJQ-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@H](CCNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[NH+]1CCCCC1 ZINC000419712661 381477122 /nfs/dbraw/zinc/47/71/22/381477122.db2.gz LSHGTJZJYFEDOT-CABCVRRESA-N 2 0 340.468 -0.057 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)C1 ZINC000419725730 381480290 /nfs/dbraw/zinc/48/02/90/381480290.db2.gz JAHRXYPBIKELPP-AGIUHOORSA-N 2 0 342.440 -0.948 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)C1 ZINC000419727473 381480954 /nfs/dbraw/zinc/48/09/54/381480954.db2.gz LLQWXXDHEDAMJX-UONOGXRCSA-N 2 0 328.457 -0.345 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)C1 ZINC000419727471 381481312 /nfs/dbraw/zinc/48/13/12/381481312.db2.gz LLQWXXDHEDAMJX-KBPBESRZSA-N 2 0 328.457 -0.345 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000419552996 381452579 /nfs/dbraw/zinc/45/25/79/381452579.db2.gz ZJFRTBDJKLSEAP-RBSFLKMASA-N 2 0 340.468 -0.343 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000419547907 381452925 /nfs/dbraw/zinc/45/29/25/381452925.db2.gz SINKZOISVVWDGM-BFHYXJOUSA-N 2 0 326.441 -0.591 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419551807 381452938 /nfs/dbraw/zinc/45/29/38/381452938.db2.gz XVKMTEXHRRNTJI-WMLDXEAASA-N 2 0 338.452 -0.575 20 0 EBADRP CC(C)(CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)C[NH+]1CCCC1 ZINC000419667041 381465491 /nfs/dbraw/zinc/46/54/91/381465491.db2.gz RNRWXUXKTAZNAU-CQSZACIVSA-N 2 0 340.468 -0.281 20 0 EBADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419870025 381515381 /nfs/dbraw/zinc/51/53/81/381515381.db2.gz NYGVUBUYKMBZKL-CABCVRRESA-N 2 0 339.484 -0.613 20 0 EBADRP CC[NH2+]CCNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000419887808 381517939 /nfs/dbraw/zinc/51/79/39/381517939.db2.gz JGBREPNAJXELGA-OAHLLOKOSA-N 2 0 339.484 -0.659 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000419893460 381519418 /nfs/dbraw/zinc/51/94/18/381519418.db2.gz VMXWAWDFEDTYBL-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000419730383 381492521 /nfs/dbraw/zinc/49/25/21/381492521.db2.gz PTOQAJVGFHRDDR-RDBSUJKOSA-N 2 0 326.441 -0.591 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000419779699 381492567 /nfs/dbraw/zinc/49/25/67/381492567.db2.gz PPCZYLUPABYBQX-MELADBBJSA-N 2 0 326.441 -0.733 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419891094 381519875 /nfs/dbraw/zinc/51/98/75/381519875.db2.gz MUVXTDFAKGSCLQ-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000419997083 381527338 /nfs/dbraw/zinc/52/73/38/381527338.db2.gz LKIOEKMJGGADDW-DZGCQCFKSA-N 2 0 340.468 -0.202 20 0 EBADRP CC[NH+]1CCN(CC(=O)NCC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC000350683421 381536578 /nfs/dbraw/zinc/53/65/78/381536578.db2.gz GLLXJKFBUSBIDT-UHFFFAOYSA-N 2 0 326.485 -0.025 20 0 EBADRP NCC(F)(F)CNC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000420166055 381553501 /nfs/dbraw/zinc/55/35/01/381553501.db2.gz IDNHXUCSAWOJSK-LLVKDONJSA-N 2 0 334.367 -0.980 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000420179355 381563100 /nfs/dbraw/zinc/56/31/00/381563100.db2.gz BMLWOCVPSPAIJM-ILXRZTDVSA-N 2 0 340.468 -0.282 20 0 EBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420194694 381566748 /nfs/dbraw/zinc/56/67/48/381566748.db2.gz SSXGKWLWJVKYJH-AWEZNQCLSA-N 2 0 328.457 -0.473 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000420190979 381566948 /nfs/dbraw/zinc/56/69/48/381566948.db2.gz WCLLQWBJBSCMFF-AWEZNQCLSA-N 2 0 326.441 -0.575 20 0 EBADRP C[C@H]1CC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@H]1C[NH3+] ZINC000420409339 381583479 /nfs/dbraw/zinc/58/34/79/381583479.db2.gz QMOVQRWPVSTNEN-QWHCGFSZSA-N 2 0 348.451 -0.260 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000420201086 381569427 /nfs/dbraw/zinc/56/94/27/381569427.db2.gz NNKIVLHPGGSNMH-HZSPNIEDSA-N 2 0 326.441 -0.672 20 0 EBADRP CN(CCCNC(=O)C[NH+]1CCC(C[NH+](C)C)CC1)S(C)(=O)=O ZINC000350946944 381599520 /nfs/dbraw/zinc/59/95/20/381599520.db2.gz DCGNOMMQPBTOOM-UHFFFAOYSA-N 2 0 348.513 -0.342 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000074254044 381605783 /nfs/dbraw/zinc/60/57/83/381605783.db2.gz QZUYSJJRXLKDQG-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420421245 381587237 /nfs/dbraw/zinc/58/72/37/381587237.db2.gz YPFAHVSYTFDRHW-GMTAPVOTSA-N 2 0 337.424 -0.846 20 0 EBADRP COCC[NH2+]CCNS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000420435256 381587343 /nfs/dbraw/zinc/58/73/43/381587343.db2.gz MEGOJXKYDAUBLE-UHFFFAOYSA-N 2 0 347.485 -0.424 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000571746914 381618139 /nfs/dbraw/zinc/61/81/39/381618139.db2.gz VWIHIZWNWFWRAN-KRWDZBQOSA-N 3 0 341.500 -0.556 20 0 EBADRP NS(=O)(=O)c1ccc(NC(=O)CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000351497879 381630548 /nfs/dbraw/zinc/63/05/48/381630548.db2.gz VEPFBGABZFWISO-ZLKJLUDKSA-N 2 0 338.433 -0.058 20 0 EBADRP C[C@@H]1C[NH+](CCCCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000351542276 381641485 /nfs/dbraw/zinc/64/14/85/381641485.db2.gz QVNFFFFRGOKYON-RBSFLKMASA-N 2 0 340.468 -0.140 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000572111614 381641763 /nfs/dbraw/zinc/64/17/63/381641763.db2.gz MPHCNUWVJMCSAG-CABCVRRESA-N 3 0 339.484 -0.994 20 0 EBADRP CC(C)OCC[NH+]1CCC(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351574128 381644612 /nfs/dbraw/zinc/64/46/12/381644612.db2.gz UXXSJXBOLRYLFS-HNNXBMFYSA-N 2 0 340.468 -0.140 20 0 EBADRP O=C(CC[N@H+](CCC(F)(F)F)C[C@H](O)CO)N1CC[NH2+]CC1 ZINC000351620013 381654929 /nfs/dbraw/zinc/65/49/29/381654929.db2.gz MISDPDLGVGDZJW-NSHDSACASA-N 2 0 327.347 -0.584 20 0 EBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000572234644 381651461 /nfs/dbraw/zinc/65/14/61/381651461.db2.gz URAIEYBTVKZTFM-KGLIPLIRSA-N 2 0 325.457 -0.970 20 0 EBADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000351859031 381685724 /nfs/dbraw/zinc/68/57/24/381685724.db2.gz ZLDXEBPCWWNJSI-RYUDHWBXSA-N 2 0 334.424 -0.507 20 0 EBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000580421478 381754497 /nfs/dbraw/zinc/75/44/97/381754497.db2.gz JYUHWICDYHJTBG-ILXRZTDVSA-N 2 0 339.484 -0.676 20 0 EBADRP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000580443137 381757142 /nfs/dbraw/zinc/75/71/42/381757142.db2.gz KAUQFBMDBGFXLT-VIFPVBQESA-N 2 0 331.384 -0.733 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@H]([NH+](C)C)C3)C[C@H]2[NH3+])cn1 ZINC000331864039 381724075 /nfs/dbraw/zinc/72/40/75/381724075.db2.gz ADJADUDFYXRYOO-SOUVJXGZSA-N 2 0 348.451 -0.774 20 0 EBADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000352013294 381858211 /nfs/dbraw/zinc/85/82/11/381858211.db2.gz IKEAXERZUPVUPL-UMVBOHGHSA-N 2 0 328.457 -0.299 20 0 EBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000626845818 381886767 /nfs/dbraw/zinc/88/67/67/381886767.db2.gz GDAQYDGMPYXGHS-AWEZNQCLSA-N 2 0 336.440 -0.160 20 0 EBADRP CN(CCN1CCOC(C)(C)C1)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000333203102 381896406 /nfs/dbraw/zinc/89/64/06/381896406.db2.gz ZYPVBAAKPKRJQL-HNNXBMFYSA-N 2 0 341.500 -0.016 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000627464763 381908581 /nfs/dbraw/zinc/90/85/81/381908581.db2.gz MLQYSRKGEBMJAW-CQSZACIVSA-N 2 0 326.441 -0.575 20 0 EBADRP CN1CCN(S(=O)(=O)N2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000333898530 381965116 /nfs/dbraw/zinc/96/51/16/381965116.db2.gz YSJFJTBQCYYHIH-OAHLLOKOSA-N 3 0 345.513 -0.904 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)NCC[N@@H+]3CCCOCC3)C[C@H]2[NH3+])cn1 ZINC000333591703 381937808 /nfs/dbraw/zinc/93/78/08/381937808.db2.gz PFBVOWDBLHMORF-LSDHHAIUSA-N 2 0 336.440 -0.422 20 0 EBADRP CC[NH+](CC)CCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000626917329 381940029 /nfs/dbraw/zinc/94/00/29/381940029.db2.gz XTVBESWBCFAQDV-UHFFFAOYSA-N 2 0 340.472 -0.319 20 0 EBADRP C[C@H](O)CN1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC000643512078 381975617 /nfs/dbraw/zinc/97/56/17/381975617.db2.gz IHACYDDWAPJRTG-BARDWOONSA-N 2 0 338.452 -0.747 20 0 EBADRP C[C@@H](CNC(=O)N1C[C@@H]2[C@H](C1)OCCN2C)CN1CCOCC1 ZINC000334061106 381982409 /nfs/dbraw/zinc/98/24/09/381982409.db2.gz YNGPHCXWNVAXTD-ZNMIVQPWSA-N 2 0 326.441 -0.321 20 0 EBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000643536192 382049541 /nfs/dbraw/zinc/04/95/41/382049541.db2.gz NRNQBFFYSUIYTI-HUUCEWRRSA-N 2 0 340.468 -0.105 20 0 EBADRP [NH3+]CCCOC1CC[NH+](CC(=O)NCCCN2CCCC2=O)CC1 ZINC000430559469 382021696 /nfs/dbraw/zinc/02/16/96/382021696.db2.gz XFRYGNASGBZVPO-UHFFFAOYSA-N 2 0 340.468 -0.055 20 0 EBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000643516789 382022417 /nfs/dbraw/zinc/02/24/17/382022417.db2.gz VCADIJJVACKIFX-PMPSAXMXSA-N 2 0 349.479 -0.812 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[NH+]1CCC(C)CC1 ZINC000563946428 382092094 /nfs/dbraw/zinc/09/20/94/382092094.db2.gz BKDUUCRWMMCKOK-LSDHHAIUSA-N 2 0 339.484 -0.676 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000353463708 382149452 /nfs/dbraw/zinc/14/94/52/382149452.db2.gz WMLJAFZCOZDSAC-KGLIPLIRSA-N 2 0 336.440 -0.113 20 0 EBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000354051112 382196671 /nfs/dbraw/zinc/19/66/71/382196671.db2.gz CWYGGTVMCVVNLA-OAHLLOKOSA-N 2 0 338.452 -0.456 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC000171300328 382197934 /nfs/dbraw/zinc/19/79/34/382197934.db2.gz PWNRPHJDMNONIO-KGLIPLIRSA-N 2 0 348.513 -0.201 20 0 EBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000331661726 285206545 /nfs/dbraw/zinc/20/65/45/285206545.db2.gz OWLOGTDFLQKGIC-OLZOCXBDSA-N 2 0 326.441 -0.230 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000669228333 545827410 /nfs/dbraw/zinc/82/74/10/545827410.db2.gz MJGNJLFRNWNYIF-ZDUSSCGKSA-N 2 0 328.457 -0.330 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)CC1 ZINC000328991563 155201447 /nfs/dbraw/zinc/20/14/47/155201447.db2.gz DHGFGONVBDEERM-HZPDHXFCSA-N 2 0 349.479 -0.859 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCC(=O)N1CCN(C)CC1 ZINC000173819188 154103907 /nfs/dbraw/zinc/10/39/07/154103907.db2.gz NYARRVQPAWUXPA-CQSZACIVSA-N 2 0 325.457 -0.066 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000187946066 154149561 /nfs/dbraw/zinc/14/95/61/154149561.db2.gz UCIJUSIMPPJAPC-UONOGXRCSA-N 2 0 326.441 -0.624 20 0 EBADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@H]2C[NH2+]CCO2)cc1 ZINC000188192459 154149672 /nfs/dbraw/zinc/14/96/72/154149672.db2.gz GQYZDJMWQPYGMF-OAHLLOKOSA-N 2 0 334.420 -0.417 20 0 EBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC(OCCC[NH3+])CC2)CC1=O ZINC000237159876 154171447 /nfs/dbraw/zinc/17/14/47/154171447.db2.gz UDJVFXBBKYNMLG-AWEZNQCLSA-N 2 0 340.468 -0.247 20 0 EBADRP OC[C@@H]1C[C@H](O)C[NH+]1Cc1cccc(C[N@H+]2C[C@H](O)C[C@H]2CO)c1 ZINC000248393808 154190078 /nfs/dbraw/zinc/19/00/78/154190078.db2.gz MGSJSULRSZFLFV-XLAORIBOSA-N 2 0 336.432 -0.458 20 0 EBADRP CC[NH+]1CCC(NC(=O)CN2CC[NH2+]C[C@@H]2c2nccn2C)CC1 ZINC000261755499 154199856 /nfs/dbraw/zinc/19/98/56/154199856.db2.gz MIUNNMZCEHHBAX-OAHLLOKOSA-N 2 0 334.468 -0.033 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000261753977 154199898 /nfs/dbraw/zinc/19/98/98/154199898.db2.gz LIWYTEMDJFBEDY-MRXNPFEDSA-N 2 0 340.468 -0.247 20 0 EBADRP CC[NH+]1CCC(NC(=O)CN2CC[NH2+]C[C@H]2c2nccn2C)CC1 ZINC000261755494 154200272 /nfs/dbraw/zinc/20/02/72/154200272.db2.gz MIUNNMZCEHHBAX-HNNXBMFYSA-N 2 0 334.468 -0.033 20 0 EBADRP C[NH2+]CCC1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000261969103 154207658 /nfs/dbraw/zinc/20/76/58/154207658.db2.gz CMDFHEHYCCPJRR-UHFFFAOYSA-N 2 0 348.451 -0.245 20 0 EBADRP [NH3+]CC(=O)NCC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000262095603 154211952 /nfs/dbraw/zinc/21/19/52/154211952.db2.gz DKERGTAXYISXJM-UHFFFAOYSA-N 2 0 347.463 -0.615 20 0 EBADRP O=C(CC[NH+]1CCC(C(=O)N2CCOCC2)CC1)N1CC[NH2+]CC1 ZINC000262158533 154214656 /nfs/dbraw/zinc/21/46/56/154214656.db2.gz PRKXDRKARAHSIK-UHFFFAOYSA-N 2 0 338.452 -0.621 20 0 EBADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)CNC(=O)C[NH3+])cc2)C[C@H](C)O1 ZINC000262175354 154216241 /nfs/dbraw/zinc/21/62/41/154216241.db2.gz RDDZQKODEQQSEC-OKILXGFUSA-N 2 0 348.447 -0.013 20 0 EBADRP C[C@H]1OCCN[C@@H]1C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000262236994 154220378 /nfs/dbraw/zinc/22/03/78/154220378.db2.gz KQUFTHTZLXZJDQ-ZBFHGGJFSA-N 2 0 338.452 -0.480 20 0 EBADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262409758 154230425 /nfs/dbraw/zinc/23/04/25/154230425.db2.gz PCWCBWUNCZPBRA-DLBZAZTESA-N 2 0 332.448 -0.357 20 0 EBADRP C[NH+](C)CCNC(=O)CN(CC(=O)NCC[NH+](C)C)c1ccccc1 ZINC000290894358 155010417 /nfs/dbraw/zinc/01/04/17/155010417.db2.gz DFEFZNRBLIGLBI-UHFFFAOYSA-N 2 0 349.479 -0.151 20 0 EBADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000342698806 156052097 /nfs/dbraw/zinc/05/20/97/156052097.db2.gz HXYHMRHPGWBYJF-GXTWGEPZSA-N 2 0 336.440 -0.113 20 0 EBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000343143132 156103520 /nfs/dbraw/zinc/10/35/20/156103520.db2.gz OJTHFXMOMSAWNA-HUUCEWRRSA-N 2 0 342.484 -0.083 20 0 EBADRP Cn1cc(CN2CCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC2)cn1 ZINC000343683219 156156087 /nfs/dbraw/zinc/15/60/87/156156087.db2.gz AZLBLPCBJBQAIA-MRXNPFEDSA-N 2 0 332.452 -0.546 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[NH+](C)[C@H]2C)C1 ZINC000343883655 156178414 /nfs/dbraw/zinc/17/84/14/156178414.db2.gz FVJLRTCQIZFDQK-MELADBBJSA-N 2 0 326.441 -0.578 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000343892897 156181376 /nfs/dbraw/zinc/18/13/76/156181376.db2.gz PXXSRGXNUYOQHY-ZIAGYGMSSA-N 2 0 342.484 -0.084 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[NH+](C(C)C)CC2)C1 ZINC000343917662 156187791 /nfs/dbraw/zinc/18/77/91/156187791.db2.gz QRCQEMFEHLQSIF-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000344637714 156249635 /nfs/dbraw/zinc/24/96/35/156249635.db2.gz JHWRVBSEAFVAGF-OAHLLOKOSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](CCO)CC2)C[C@@H]1[NH+](C)C ZINC000344632168 156249662 /nfs/dbraw/zinc/24/96/62/156249662.db2.gz QURUFSNGDHWNMZ-ZFWWWQNUSA-N 2 0 340.468 -0.785 20 0 EBADRP CN(C)S(=O)(=O)CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000344864737 156274941 /nfs/dbraw/zinc/27/49/41/156274941.db2.gz YEELLZUTIKVICC-UHFFFAOYSA-N 2 0 336.502 -0.390 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000355887231 157031318 /nfs/dbraw/zinc/03/13/18/157031318.db2.gz DTLGOJWAYPKQAZ-HNNXBMFYSA-N 2 0 339.484 -0.804 20 0 EBADRP C[N@@H+]1CCC[C@H]1CNC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000358571706 157263744 /nfs/dbraw/zinc/26/37/44/157263744.db2.gz PJDWHKZUQRCKJK-INIZCTEOSA-N 2 0 341.500 -0.230 20 0 EBADRP CN(CC[N@H+](C)C1CCN(CCO)CC1)C1CC[NH+](CCO)CC1 ZINC000358928789 157288860 /nfs/dbraw/zinc/28/88/60/157288860.db2.gz SXRCVWHESCTMDG-UHFFFAOYSA-N 2 0 342.528 -0.237 20 0 EBADRP CO[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)[C@@H](C[NH3+])C1 ZINC000359210006 157302883 /nfs/dbraw/zinc/30/28/83/157302883.db2.gz IOXIVYWQWJULHP-BFHYXJOUSA-N 2 0 326.441 -0.639 20 0 EBADRP CO[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)[C@H](C[NH3+])C1 ZINC000359210010 157303083 /nfs/dbraw/zinc/30/30/83/157303083.db2.gz IOXIVYWQWJULHP-MELADBBJSA-N 2 0 326.441 -0.639 20 0 EBADRP COC(=O)[C@@H]1CCN(CC2(C[N@@H+]3CC[C@@H](C(=O)OC)C3)COC2)C1 ZINC000359990691 157352982 /nfs/dbraw/zinc/35/29/82/157352982.db2.gz DUVBPNYFPYVPDV-ZIAGYGMSSA-N 2 0 340.420 -0.007 20 0 EBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCCOCC[NH+](C)C ZINC000360271132 157370543 /nfs/dbraw/zinc/37/05/43/157370543.db2.gz HADXXSZHULUUOA-UHFFFAOYSA-N 2 0 328.457 -0.377 20 0 EBADRP C[C@H](CNC(=O)C(=O)NCCOCC[NH+](C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000360277337 157371570 /nfs/dbraw/zinc/37/15/70/157371570.db2.gz AXQSKLWZAOUOFV-LSDHHAIUSA-N 2 0 342.484 -0.083 20 0 EBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000360278751 157371866 /nfs/dbraw/zinc/37/18/66/157371866.db2.gz LIWWMWNNAZTTQG-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP C[C@@H]1CC(=O)NCC[NH+]1CCOCC[N@H+]1CCNC(=O)C[C@H]1C ZINC000375845944 287200407 /nfs/dbraw/zinc/20/04/07/287200407.db2.gz HMQAOTQZSPBGNE-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP O[C@H]1CC[NH+](CCNc2cc(NCC[N@H+]3CC[C@H](O)C3)ncn2)C1 ZINC000624772624 415420342 /nfs/dbraw/zinc/42/03/42/415420342.db2.gz AYTGZBYIHWKTCA-KBPBESRZSA-N 2 0 336.440 -0.566 20 0 EBADRP CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])N1CC[NH+](C)CC1 ZINC000517741597 418943280 /nfs/dbraw/zinc/94/32/80/418943280.db2.gz BSSBHASRSWRVIY-ZNMIVQPWSA-N 2 0 341.500 -0.383 20 0 EBADRP O=C(CN1CC[NH2+]CC1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390896956 419016144 /nfs/dbraw/zinc/01/61/44/419016144.db2.gz QJLJHXIZWONJLN-UHFFFAOYSA-N 2 0 345.491 -0.174 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000410503144 419034921 /nfs/dbraw/zinc/03/49/21/419034921.db2.gz MCCOKHWQUCQJMC-HNNXBMFYSA-N 2 0 338.452 -0.504 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC000653116867 418990018 /nfs/dbraw/zinc/99/00/18/418990018.db2.gz XCSBBFCKIQWLQD-CQSZACIVSA-N 2 0 327.473 -0.722 20 0 EBADRP C[NH+](C)CC[C@H](N)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000653125061 418990997 /nfs/dbraw/zinc/99/09/97/418990997.db2.gz ROYDTCBDURLAJQ-KRWDZBQOSA-N 3 0 348.495 -0.011 20 0 EBADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000653150168 418995711 /nfs/dbraw/zinc/99/57/11/418995711.db2.gz STAIZIRGHFAVNI-HZPDHXFCSA-N 2 0 325.501 -0.106 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000647555517 419113047 /nfs/dbraw/zinc/11/30/47/419113047.db2.gz FWDFJSJCDKETBR-UHFFFAOYSA-N 2 0 326.441 -0.670 20 0 EBADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000653260640 419054293 /nfs/dbraw/zinc/05/42/93/419054293.db2.gz JBAQOSXPYOVKRT-TUVASFSCSA-N 2 0 338.452 -0.258 20 0 EBADRP C[C@H]([C@H](C)NC(=O)C(=O)NCCC1CC[NH2+]CC1)N1CCOCC1 ZINC000652690732 419062282 /nfs/dbraw/zinc/06/22/82/419062282.db2.gz NBWPGFJZKUEHCF-UONOGXRCSA-N 2 0 340.468 -0.282 20 0 EBADRP Cn1cc(S(N)(=O)=O)cc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000531119114 419065325 /nfs/dbraw/zinc/06/53/25/419065325.db2.gz CVSNVAPBJWYPSL-UHFFFAOYSA-N 2 0 345.469 -0.762 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)N2CC(N3CC[C@@H](O)C3)C2)CCCO1 ZINC000651062028 419175484 /nfs/dbraw/zinc/17/54/84/419175484.db2.gz MDRDWXWUMGGDPD-GOEBONIOSA-N 2 0 340.468 -0.052 20 0 EBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652692770 419181601 /nfs/dbraw/zinc/18/16/01/419181601.db2.gz CCFUOKKJSLCCFM-ZIAGYGMSSA-N 2 0 328.457 -0.343 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000651328033 419186842 /nfs/dbraw/zinc/18/68/42/419186842.db2.gz OQQGMTOCIHXVTG-ZDUSSCGKSA-N 2 0 334.486 -0.590 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)C[C@H]1C[NH3+] ZINC000652672185 419247392 /nfs/dbraw/zinc/24/73/92/419247392.db2.gz ASXCNUJTEMZYQU-RBSFLKMASA-N 2 0 340.468 -0.343 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000652681509 419251591 /nfs/dbraw/zinc/25/15/91/419251591.db2.gz LWJZRJXVBZNFBK-BPLDGKMQSA-N 2 0 340.468 -0.345 20 0 EBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)NCCC1CC[NH2+]CC1 ZINC000652683298 419251890 /nfs/dbraw/zinc/25/18/90/419251890.db2.gz JONTWDKNNOHNSC-UHFFFAOYSA-N 2 0 340.468 -0.279 20 0 EBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)C[C@@H]2CC[NH2+]C2)c1 ZINC000647703206 419215550 /nfs/dbraw/zinc/21/55/50/419215550.db2.gz VRRKIDGTTKCLMP-NSHDSACASA-N 2 0 326.422 -0.138 20 0 EBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CC4CC3(C[NH3+])C4)C2)CC1 ZINC000595995776 419230090 /nfs/dbraw/zinc/23/00/90/419230090.db2.gz XAJGAMDSDJCYOY-CSLYMUCUSA-N 2 0 349.479 -0.826 20 0 EBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652323496 419232552 /nfs/dbraw/zinc/23/25/52/419232552.db2.gz IUMFMBCRCIHSAR-AWEZNQCLSA-N 2 0 325.457 -0.127 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000652621951 419241387 /nfs/dbraw/zinc/24/13/87/419241387.db2.gz ZFOPKFMGNKQTLD-QWHCGFSZSA-N 2 0 336.440 -0.031 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000652621502 419241747 /nfs/dbraw/zinc/24/17/47/419241747.db2.gz METJNFMBURGGHU-OLZOCXBDSA-N 2 0 334.424 -0.264 20 0 EBADRP C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@@H]1C[NH3+] ZINC000652624594 419241907 /nfs/dbraw/zinc/24/19/07/419241907.db2.gz LACNBEGMTIOFNQ-STQMWFEESA-N 2 0 336.440 -0.174 20 0 EBADRP CS(=O)(=O)N1CCN(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647786131 419294653 /nfs/dbraw/zinc/29/46/53/419294653.db2.gz IUDXMABPEJATTR-RBSFLKMASA-N 2 0 330.498 -0.459 20 0 EBADRP CC[C@@H]1CN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC[N@@H+]1C[C@H](C)O ZINC000263232178 419299194 /nfs/dbraw/zinc/29/91/94/419299194.db2.gz IMEJGYURTAHPAN-GUTXKFCHSA-N 2 0 328.457 -0.611 20 0 EBADRP COC(=O)[C@]1(C)CCC[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000414102860 419313903 /nfs/dbraw/zinc/31/39/03/419313903.db2.gz DELMJFHKKLNHHN-BLLLJJGKSA-N 2 0 325.409 -0.049 20 0 EBADRP C[NH+](C)CCCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000531571310 419270792 /nfs/dbraw/zinc/27/07/92/419270792.db2.gz UNHQACJQSOLJRR-UONOGXRCSA-N 2 0 331.482 -0.095 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652730433 419329089 /nfs/dbraw/zinc/32/90/89/419329089.db2.gz ZLQTWMUQDBXFPA-APIJFGDWSA-N 2 0 340.468 -0.250 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C[C@H]1C[NH3+] ZINC000652727288 419320235 /nfs/dbraw/zinc/32/02/35/419320235.db2.gz JYKZZEBVAHJRTI-RRFJBIMHSA-N 2 0 340.468 -0.391 20 0 EBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000652732452 419337025 /nfs/dbraw/zinc/33/70/25/419337025.db2.gz LMFRYMCBNIOSAQ-AWEZNQCLSA-N 2 0 326.441 -0.493 20 0 EBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000653397150 419371584 /nfs/dbraw/zinc/37/15/84/419371584.db2.gz MUSHKUNWNHYFRX-HNNXBMFYSA-N 2 0 339.484 -0.707 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000340833069 419384493 /nfs/dbraw/zinc/38/44/93/419384493.db2.gz WMQDSTWVVLXGFM-ZNMIVQPWSA-N 2 0 338.452 -0.434 20 0 EBADRP CNC(=O)NCCC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000645398070 419457163 /nfs/dbraw/zinc/45/71/63/419457163.db2.gz GQSUWQJMAWRRIX-AWEZNQCLSA-N 2 0 325.457 -0.068 20 0 EBADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000519654256 419536836 /nfs/dbraw/zinc/53/68/36/419536836.db2.gz UPZGDEQGKPKJQE-SOUVJXGZSA-N 2 0 340.468 -0.282 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000358557243 419673679 /nfs/dbraw/zinc/67/36/79/419673679.db2.gz HMKCEQKQHPSRJZ-AWEZNQCLSA-N 2 0 342.484 -0.131 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000360287078 419686509 /nfs/dbraw/zinc/68/65/09/419686509.db2.gz SDLQLIGSVUDGOY-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C[C@H](C)[N@H+]1CCO ZINC000375745295 419737164 /nfs/dbraw/zinc/73/71/64/419737164.db2.gz QGNMDLFFRQBAND-XUWVNRHRSA-N 2 0 340.468 -0.054 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)c1 ZINC000419899570 419814235 /nfs/dbraw/zinc/81/42/35/419814235.db2.gz YYLZUKCHKVKVKI-CYBMUJFWSA-N 2 0 347.419 -0.393 20 0 EBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000419960556 419819718 /nfs/dbraw/zinc/81/97/18/419819718.db2.gz WILJGMUABYRDFK-ZIAGYGMSSA-N 2 0 340.468 -0.330 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419937537 419825175 /nfs/dbraw/zinc/82/51/75/419825175.db2.gz VTRNWERWPGHIFJ-OAHLLOKOSA-N 2 0 336.436 -0.161 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419930910 419825938 /nfs/dbraw/zinc/82/59/38/419825938.db2.gz CJJZPFBUULTSKH-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000420016063 419830894 /nfs/dbraw/zinc/83/08/94/419830894.db2.gz RRIBFJRNMTUREJ-ILXRZTDVSA-N 2 0 339.484 -0.533 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000422299616 419880305 /nfs/dbraw/zinc/88/03/05/419880305.db2.gz MLLQONTXYHQZPX-HUUCEWRRSA-N 2 0 340.468 -0.236 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422977184 419915222 /nfs/dbraw/zinc/91/52/22/419915222.db2.gz WHLPXWJSFUEJIU-AVGNSLFASA-N 2 0 326.441 -0.232 20 0 EBADRP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CC2)CCO1 ZINC000423188896 419922559 /nfs/dbraw/zinc/92/25/59/419922559.db2.gz ZPQUKGZDHWTDBY-UONOGXRCSA-N 2 0 338.452 -0.482 20 0 EBADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423084335 419918902 /nfs/dbraw/zinc/91/89/02/419918902.db2.gz HSNOKPSAVAHWET-OAHLLOKOSA-N 2 0 340.468 -0.247 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000423271876 419929510 /nfs/dbraw/zinc/92/95/10/419929510.db2.gz YGVBYKJRNDNSJV-KRWDZBQOSA-N 2 0 340.468 -0.375 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423267510 419930247 /nfs/dbraw/zinc/93/02/47/419930247.db2.gz TVWGXMSJOUQCSB-MRXNPFEDSA-N 2 0 326.441 -0.765 20 0 EBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000423216626 419926589 /nfs/dbraw/zinc/92/65/89/419926589.db2.gz RZBRQJFFQDGPTO-SOUVJXGZSA-N 2 0 340.468 -0.249 20 0 EBADRP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000533308200 419969134 /nfs/dbraw/zinc/96/91/34/419969134.db2.gz DERVDPSLZYCAOL-CQSZACIVSA-N 2 0 325.457 -0.068 20 0 EBADRP CN1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)[C@@H](C[NH3+])C1 ZINC000514824409 419972745 /nfs/dbraw/zinc/97/27/45/419972745.db2.gz LMCORGTVVMCLNA-GJZGRUSLSA-N 2 0 337.468 -0.779 20 0 EBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)CC[C@H]21 ZINC000514930708 419974606 /nfs/dbraw/zinc/97/46/06/419974606.db2.gz PRKIPLBVYQALJV-XUWVNRHRSA-N 2 0 334.464 -0.003 20 0 EBADRP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)CN1CCOCC1 ZINC000514933803 419976568 /nfs/dbraw/zinc/97/65/68/419976568.db2.gz ZANBFKUFUIISJS-ZACQAIPSSA-N 2 0 327.469 -0.353 20 0 EBADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1(C)C ZINC000646667628 420683349 /nfs/dbraw/zinc/68/33/49/420683349.db2.gz YKJYSUSOVUYPNT-XNJGSVPQSA-N 2 0 340.468 -0.168 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000529319252 420761752 /nfs/dbraw/zinc/76/17/52/420761752.db2.gz WHEUVKBVJQFUEP-RBSFLKMASA-N 2 0 326.441 -0.348 20 0 EBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529344064 420762697 /nfs/dbraw/zinc/76/26/97/420762697.db2.gz ZFGOSEWHFXRWIG-KBPBESRZSA-N 2 0 338.456 -0.663 20 0 EBADRP CCC([NH3+])(CC)CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529335181 420763095 /nfs/dbraw/zinc/76/30/95/420763095.db2.gz HQXJQIIKPIZHKG-UHFFFAOYSA-N 2 0 340.472 -0.144 20 0 EBADRP CC1([NH+]2CCOCC2)CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000529332081 420763330 /nfs/dbraw/zinc/76/33/30/420763330.db2.gz XUIDTBORVQWLSQ-UHFFFAOYSA-N 2 0 339.484 -0.212 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000529337695 420763556 /nfs/dbraw/zinc/76/35/56/420763556.db2.gz IHZRYTAOSZKYKC-SHARSMKWSA-N 2 0 325.457 -0.510 20 0 EBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@@H]3COCC[NH2+]3)C2)CC1 ZINC000529379355 420764202 /nfs/dbraw/zinc/76/42/02/420764202.db2.gz KLXNHFBZTWQWSV-HUUCEWRRSA-N 2 0 325.457 -0.604 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529384580 420764825 /nfs/dbraw/zinc/76/48/25/420764825.db2.gz YVYPRPHGKOMAKJ-JKSUJKDBSA-N 2 0 339.484 -0.214 20 0 EBADRP C[C@@H](CCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000653829263 420706950 /nfs/dbraw/zinc/70/69/50/420706950.db2.gz HIRAMYJLYWQTFM-NNPSNHGLSA-N 2 0 338.496 -0.733 20 0 EBADRP CC[N@H+](CCO)CCNC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000187093874 420709294 /nfs/dbraw/zinc/70/92/94/420709294.db2.gz KKVCCVVPOBKOAY-HNNXBMFYSA-N 2 0 330.473 -0.043 20 0 EBADRP C[NH+]1CCN(CCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000522848734 420724131 /nfs/dbraw/zinc/72/41/31/420724131.db2.gz QEDWYHZUKMQKIF-IBGZPJMESA-N 2 0 346.475 -0.013 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000524466043 420732794 /nfs/dbraw/zinc/73/27/94/420732794.db2.gz MHUHRWISKYZYCQ-HNNXBMFYSA-N 2 0 341.500 -0.016 20 0 EBADRP C[C@@H]1COCCN1CCNC(=O)NCCC(=O)N1CCN(C)CC1 ZINC000524600628 420733290 /nfs/dbraw/zinc/73/32/90/420733290.db2.gz OZUPCLGZFDHBIN-CQSZACIVSA-N 2 0 341.456 -0.830 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000649320892 420799501 /nfs/dbraw/zinc/79/95/01/420799501.db2.gz DJHILGLGUNZOMO-YDHLFZDLSA-N 2 0 326.441 -0.857 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCSC1 ZINC000654473102 420829688 /nfs/dbraw/zinc/82/96/88/420829688.db2.gz AUAOQUWXNGOZRB-GUTXKFCHSA-N 2 0 328.482 -0.116 20 0 EBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656021923 420867647 /nfs/dbraw/zinc/86/76/47/420867647.db2.gz ORGDGLNAVOEINH-MRLBHPIUSA-N 2 0 340.468 -0.014 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656039891 420868254 /nfs/dbraw/zinc/86/82/54/420868254.db2.gz KONGUDNGNGFEEO-ARILJUKYSA-N 2 0 340.468 -0.204 20 0 EBADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656039527 420869212 /nfs/dbraw/zinc/86/92/12/420869212.db2.gz CDSTZKRIPZDHET-APIJFGDWSA-N 2 0 340.468 -0.332 20 0 EBADRP C[C@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656153669 420882648 /nfs/dbraw/zinc/88/26/48/420882648.db2.gz ZNKBHGLVVQNBSL-WCXIOVBPSA-N 2 0 328.501 -0.318 20 0 EBADRP CCN(C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@@H]1CC[N@H+](CC)C1 ZINC000658822642 420883677 /nfs/dbraw/zinc/88/36/77/420883677.db2.gz SGVNBTYDBZPMTB-QLFBSQMISA-N 2 0 338.452 -0.794 20 0 EBADRP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656287097 420883836 /nfs/dbraw/zinc/88/38/36/420883836.db2.gz YEQOUDMDWKCGHX-LSDHHAIUSA-N 2 0 338.452 -0.744 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C[NH+]1CCCC1 ZINC000656301271 420886362 /nfs/dbraw/zinc/88/63/62/420886362.db2.gz ZUZLBCWCPVVUMY-QLFBSQMISA-N 2 0 338.452 -0.888 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656309665 420888460 /nfs/dbraw/zinc/88/84/60/420888460.db2.gz OIHVBIXZAROQSY-QLFBSQMISA-N 2 0 338.452 -0.746 20 0 EBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@H]1CCNC1=O ZINC000660516383 421048136 /nfs/dbraw/zinc/04/81/36/421048136.db2.gz RZECPRBEYXJAMF-HNNXBMFYSA-N 2 0 346.435 -0.219 20 0 EBADRP CN1CCN(c2cc[nH+]cc2NC(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000659246290 420995088 /nfs/dbraw/zinc/99/50/88/420995088.db2.gz IXGPQDXLPJBHFK-UHFFFAOYSA-N 2 0 330.396 -0.364 20 0 EBADRP O=C(CNC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)N1CC[NH2+]CC1 ZINC000659508524 421001974 /nfs/dbraw/zinc/00/19/74/421001974.db2.gz RKFYBLPUNWEROC-HNNXBMFYSA-N 2 0 337.468 -0.161 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659632037 421007205 /nfs/dbraw/zinc/00/72/05/421007205.db2.gz OBUASIHINYTOPB-UHFFFAOYSA-N 3 0 339.444 -0.724 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CCCO1 ZINC000659677697 421013910 /nfs/dbraw/zinc/01/39/10/421013910.db2.gz RVQXWEOVHPOPMG-CBCUQQMYSA-N 2 0 338.452 -0.447 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000659680476 421014085 /nfs/dbraw/zinc/01/40/85/421014085.db2.gz NMFVXKUKRKPVQZ-ZDUSSCGKSA-N 2 0 328.457 -0.345 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659700737 421016157 /nfs/dbraw/zinc/01/61/57/421016157.db2.gz UASJEFQQWRZLLJ-CYBMUJFWSA-N 2 0 326.441 -0.399 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CCSC1 ZINC000659702964 421016588 /nfs/dbraw/zinc/01/65/88/421016588.db2.gz XJCMIRFZVOMPKN-WPBUFGDCSA-N 2 0 326.466 -0.510 20 0 EBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659712848 421018780 /nfs/dbraw/zinc/01/87/80/421018780.db2.gz GHKMDJXPGLIXQC-ZBFHGGJFSA-N 2 0 347.463 -0.618 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000659715427 421019769 /nfs/dbraw/zinc/01/97/69/421019769.db2.gz UQWBGTASNBZGRK-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000659721911 421020746 /nfs/dbraw/zinc/02/07/46/421020746.db2.gz LGDTXJOALGJPIQ-QLFBSQMISA-N 2 0 340.468 -0.330 20 0 EBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000659722333 421020883 /nfs/dbraw/zinc/02/08/83/421020883.db2.gz DMXGTXROTGOSMW-QWHCGFSZSA-N 2 0 326.441 -0.530 20 0 EBADRP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CCCC1 ZINC000659735588 421024418 /nfs/dbraw/zinc/02/44/18/421024418.db2.gz TWSVBTWIZLWITD-CQSZACIVSA-N 2 0 338.452 -0.256 20 0 EBADRP CN(C(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659731200 421024585 /nfs/dbraw/zinc/02/45/85/421024585.db2.gz PQHGPQMOULNYGO-ZFWWWQNUSA-N 2 0 337.468 -0.909 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000659756727 421029711 /nfs/dbraw/zinc/02/97/11/421029711.db2.gz SWIIOKJPFOLWST-CHWSQXEVSA-N 2 0 326.441 -0.578 20 0 EBADRP O=C(N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1)C1(O)C[NH2+]C1 ZINC000662817322 421102491 /nfs/dbraw/zinc/10/24/91/421102491.db2.gz VMFFOGOEPZELRE-UHFFFAOYSA-N 2 0 333.436 -0.083 20 0 EBADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CNC(=O)C[NH3+])cc1 ZINC000662869060 421103886 /nfs/dbraw/zinc/10/38/86/421103886.db2.gz WKEPBGYUBYLVCR-GJZGRUSLSA-N 2 0 334.420 -0.278 20 0 EBADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CNC(=O)C[NH3+])cc1F ZINC000662870597 421103965 /nfs/dbraw/zinc/10/39/65/421103965.db2.gz IGZULPMJGQRSHP-AAEUAGOBSA-N 2 0 338.383 -0.529 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000662907050 421107332 /nfs/dbraw/zinc/10/73/32/421107332.db2.gz NEGWNHCIAAEBNR-JKSUJKDBSA-N 2 0 332.452 -0.073 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662930879 421110129 /nfs/dbraw/zinc/11/01/29/421110129.db2.gz YLLNJSRMBZAUMH-ZIAGYGMSSA-N 2 0 346.447 -0.299 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662929572 421111352 /nfs/dbraw/zinc/11/13/52/421111352.db2.gz HJYOJOKVJHETFY-UUCFBXCCSA-N 2 0 338.452 -0.495 20 0 EBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662933236 421112567 /nfs/dbraw/zinc/11/25/67/421112567.db2.gz WUFJCVXIMJIKKQ-UHFFFAOYSA-N 2 0 338.452 -0.495 20 0 EBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000662940588 421114600 /nfs/dbraw/zinc/11/46/00/421114600.db2.gz XCRMTMCJCFFKNP-REWJHTLYSA-N 2 0 326.416 -0.173 20 0 EBADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000662951973 421116162 /nfs/dbraw/zinc/11/61/62/421116162.db2.gz BBAXHPXZACJORM-SOUVJXGZSA-N 2 0 340.468 -0.249 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CCO1 ZINC000662950927 421116557 /nfs/dbraw/zinc/11/65/57/421116557.db2.gz GHURHSJAGZRYQC-RHSMWYFYSA-N 2 0 340.468 -0.247 20 0 EBADRP C[NH+](C)CCOCCNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664732391 421161908 /nfs/dbraw/zinc/16/19/08/421161908.db2.gz WKFXXKDRNUJJSO-HNNXBMFYSA-N 2 0 328.457 -0.195 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000663578612 421135086 /nfs/dbraw/zinc/13/50/86/421135086.db2.gz HIWNFBVRLGMBOR-GJZGRUSLSA-N 2 0 327.473 -0.671 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000369780517 421194409 /nfs/dbraw/zinc/19/44/09/421194409.db2.gz RELRNOAQFPULNX-KGLIPLIRSA-N 2 0 336.440 0.429 20 0 EBADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCC[NH+]3CCCC3)n2)CC1 ZINC000427083818 421203053 /nfs/dbraw/zinc/20/30/53/421203053.db2.gz DHHJHCZRJLBMMI-UHFFFAOYSA-N 2 0 348.451 0.300 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC000418916040 264840283 /nfs/dbraw/zinc/84/02/83/264840283.db2.gz GOIFXISDCXNGKP-CABCVRRESA-N 2 0 340.468 -0.201 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])C1 ZINC000419966544 264911731 /nfs/dbraw/zinc/91/17/31/264911731.db2.gz ZWGRCEWCGUTZLN-KGLIPLIRSA-N 2 0 328.457 -0.343 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423202301 264988165 /nfs/dbraw/zinc/98/81/65/264988165.db2.gz AMVIRCVPUYMFKV-RHSMWYFYSA-N 2 0 340.468 -0.247 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000423376649 265001137 /nfs/dbraw/zinc/00/11/37/265001137.db2.gz JOLKLGFLLIEEQX-CYBMUJFWSA-N 2 0 347.419 -0.312 20 0 EBADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423414648 265002843 /nfs/dbraw/zinc/00/28/43/265002843.db2.gz NHCZWXAHSINYLI-AWEZNQCLSA-N 2 0 328.457 -0.247 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000423431780 265004634 /nfs/dbraw/zinc/00/46/34/265004634.db2.gz AXIPMNRKJGLLEK-HUUCEWRRSA-N 2 0 340.468 -0.105 20 0 EBADRP CCN1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)C[C@@H]1c1ncc[nH]1 ZINC000423573379 265014397 /nfs/dbraw/zinc/01/43/97/265014397.db2.gz WGPWYVXPCSJDHD-HZSPNIEDSA-N 2 0 348.451 -0.176 20 0 EBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000423608013 265018558 /nfs/dbraw/zinc/01/85/58/265018558.db2.gz NFRNGUFFFIGSFY-AWEZNQCLSA-N 2 0 339.484 -0.709 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423752821 265042958 /nfs/dbraw/zinc/04/29/58/265042958.db2.gz WSFPIIFGOOPIPQ-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[C@H]1c1cccc(F)c1 ZINC000424003933 265045876 /nfs/dbraw/zinc/04/58/76/265045876.db2.gz ALKPTMLRIUXGOJ-RRFJBIMHSA-N 2 0 334.395 -0.053 20 0 EBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424545011 265074934 /nfs/dbraw/zinc/07/49/34/265074934.db2.gz LEUHUBNOEFXLEZ-AEGPPILISA-N 2 0 348.451 -0.774 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430631075 265150172 /nfs/dbraw/zinc/15/01/72/265150172.db2.gz SYZJYQHNCGFJDC-QWHCGFSZSA-N 2 0 339.440 -0.636 20 0 EBADRP CCOCCNC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430649344 265152772 /nfs/dbraw/zinc/15/27/72/265152772.db2.gz SHRIWEPJQPFKLZ-AWEZNQCLSA-N 2 0 326.441 -0.717 20 0 EBADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000430924997 265156735 /nfs/dbraw/zinc/15/67/35/265156735.db2.gz JONXZVOAWMIZFQ-GFCCVEGCSA-N 2 0 334.486 -0.557 20 0 EBADRP C[C@H]([NH3+])C1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000430960478 265159086 /nfs/dbraw/zinc/15/90/86/265159086.db2.gz JLOHAXQSCUCSCQ-NSHDSACASA-N 2 0 334.424 -0.507 20 0 EBADRP COC(=O)C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)C(=O)OC ZINC000433113235 265185472 /nfs/dbraw/zinc/18/54/72/265185472.db2.gz BTTAVGXYZZBZBK-LBPRGKRZSA-N 2 0 329.397 -0.589 20 0 EBADRP C[NH+](C)C1CCN(CCNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000433385112 265188089 /nfs/dbraw/zinc/18/80/89/265188089.db2.gz XSNHMMJEMGTAMH-OAHLLOKOSA-N 2 0 349.483 -0.042 20 0 EBADRP C[NH+](C)C1CCN(CCNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000433385111 265188334 /nfs/dbraw/zinc/18/83/34/265188334.db2.gz XSNHMMJEMGTAMH-HNNXBMFYSA-N 2 0 349.483 -0.042 20 0 EBADRP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000443057846 265337832 /nfs/dbraw/zinc/33/78/32/265337832.db2.gz IIVKAUKMCSFZOC-OAHLLOKOSA-N 2 0 339.484 -0.720 20 0 EBADRP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000443057845 265338043 /nfs/dbraw/zinc/33/80/43/265338043.db2.gz IIVKAUKMCSFZOC-HNNXBMFYSA-N 2 0 339.484 -0.720 20 0 EBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)NC3CC[NH+](C4CCC4)CC3)CCN2C1=O ZINC000515673289 265625105 /nfs/dbraw/zinc/62/51/05/265625105.db2.gz SXHFYXULKWZPJL-GJZGRUSLSA-N 2 0 335.452 -0.043 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000521029883 265652237 /nfs/dbraw/zinc/65/22/37/265652237.db2.gz XJYVUDNQCZFIRU-UONOGXRCSA-N 2 0 336.440 -0.917 20 0 EBADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)NC3C[NH2+]C3)cc2)CC1 ZINC000521407318 272893555 /nfs/dbraw/zinc/89/35/55/272893555.db2.gz HOTZOTUFWZMBKM-UHFFFAOYSA-N 2 0 345.447 -0.149 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261950404 289340211 /nfs/dbraw/zinc/34/02/11/289340211.db2.gz WEGIETMVBGAETR-GRYCIOLGSA-N 2 0 325.413 -0.850 20 0 EBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000669491328 545881489 /nfs/dbraw/zinc/88/14/89/545881489.db2.gz VOEDIBGZEXCFLH-HUUCEWRRSA-N 2 0 337.468 -0.033 20 0 EBADRP C[NH+]1CC[C@@H](CNC(=O)c2cc(C(=O)NC[C@@H]3CC[N@@H+](C)C3)[nH]n2)C1 ZINC000666909559 546044827 /nfs/dbraw/zinc/04/48/27/546044827.db2.gz GVVGLRTWCBTTPJ-STQMWFEESA-N 2 0 348.451 -0.227 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672003457 546076155 /nfs/dbraw/zinc/07/61/55/546076155.db2.gz IGBYIMLHRLBXNZ-UHFFFAOYSA-N 2 0 349.435 -0.575 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCc1nnc2n1CCC2 ZINC000674761419 546173838 /nfs/dbraw/zinc/17/38/38/546173838.db2.gz AGJKMRFCTYJOSF-UHFFFAOYSA-N 2 0 337.472 -0.098 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)cn1 ZINC000676091626 546195565 /nfs/dbraw/zinc/19/55/65/546195565.db2.gz QVFHTDMULRFPIZ-UHFFFAOYSA-N 2 0 336.440 -0.064 20 0 EBADRP O=C(NCC[C@H]1CC[NH2+]C1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891997915 582565672 /nfs/dbraw/zinc/56/56/72/582565672.db2.gz AYLGMPMUFJNCNW-RQJABVFESA-N 2 0 337.424 -0.438 20 0 EBADRP CC(C)([NH3+])CNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892034624 582566254 /nfs/dbraw/zinc/56/62/54/582566254.db2.gz RRPICUJXIXYOFE-AWEZNQCLSA-N 2 0 327.473 -0.181 20 0 EBADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892037511 582566510 /nfs/dbraw/zinc/56/65/10/582566510.db2.gz DHJKLZOTYUNLMK-SYQHCUMBSA-N 2 0 339.440 -0.064 20 0 EBADRP O=C(NCCC1=CC[NH2+]CC1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892102117 582567200 /nfs/dbraw/zinc/56/72/00/582567200.db2.gz XKHXYIOGVRUVRE-ZNMIVQPWSA-N 2 0 349.435 -0.127 20 0 EBADRP [NH3+]C/C=C\CNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892124246 582567449 /nfs/dbraw/zinc/56/74/49/582567449.db2.gz YFVKGOAKRMUZNK-OYADATRGSA-N 2 0 325.457 -0.403 20 0 EBADRP C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H](C)[NH3+] ZINC000892143654 582568018 /nfs/dbraw/zinc/56/80/18/582568018.db2.gz FHMVXYLCNUMJBL-RRFJBIMHSA-N 2 0 327.473 -0.182 20 0 EBADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCC[N@H+](C)CCO ZINC000892213539 582570895 /nfs/dbraw/zinc/57/08/95/582570895.db2.gz BILNDLDIPSCCLF-UHFFFAOYSA-N 2 0 336.436 -0.231 20 0 EBADRP [NH3+]CC1(CCNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000892221063 582571651 /nfs/dbraw/zinc/57/16/51/582571651.db2.gz LWCBWKOHYQDFNT-UPJWGTAASA-N 2 0 337.424 -0.308 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C[NH2+]1 ZINC000892292378 582573504 /nfs/dbraw/zinc/57/35/04/582573504.db2.gz PGMKBVIOPMZATA-HTOAHKCRSA-N 2 0 337.424 -0.297 20 0 EBADRP COCC[NH+]1CCC(NC(=O)N2CCN(C)CC[N@H+](C)CC2)CC1 ZINC000892335844 582577232 /nfs/dbraw/zinc/57/72/32/582577232.db2.gz XIDRDSDPAZEVTD-UHFFFAOYSA-N 2 0 341.500 -0.014 20 0 EBADRP C[N@@H+]1CC[C@](O)(CNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892765843 582587003 /nfs/dbraw/zinc/58/70/03/582587003.db2.gz HFSPETHKVYOVDS-BBRMVZONSA-N 2 0 326.441 -0.489 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CCCO1 ZINC000892756491 582587084 /nfs/dbraw/zinc/58/70/84/582587084.db2.gz QHFPPIXBECWNAM-KGLIPLIRSA-N 2 0 326.441 -0.096 20 0 EBADRP O=C(NCC[NH+]1CCC(O)CC1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000892819565 582588882 /nfs/dbraw/zinc/58/88/82/582588882.db2.gz QMOMNYLBCRZXCO-ZFWWWQNUSA-N 2 0 326.441 -0.395 20 0 EBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000516916788 582628640 /nfs/dbraw/zinc/62/86/40/582628640.db2.gz SUJLSVYJLHVQJB-HUUCEWRRSA-N 2 0 337.468 -0.066 20 0 EBADRP C[N@@H+]1CCN(CCNC(=O)NCC[NH+]2CCC(O)CC2)CC1(C)C ZINC000894601722 582633515 /nfs/dbraw/zinc/63/35/15/582633515.db2.gz LMSMNWSRGHILNX-UHFFFAOYSA-N 2 0 341.500 -0.232 20 0 EBADRP C[NH+](C)CCN1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1=O ZINC000898269472 582725420 /nfs/dbraw/zinc/72/54/20/582725420.db2.gz HGTMQOVDPXSAJW-UHFFFAOYSA-N 2 0 338.452 -0.670 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000898721289 582739485 /nfs/dbraw/zinc/73/94/85/582739485.db2.gz KVESWTWNPNYQGJ-UHFFFAOYSA-N 2 0 340.468 -0.424 20 0 EBADRP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)C1=O ZINC000899254117 582747420 /nfs/dbraw/zinc/74/74/20/582747420.db2.gz OIGFWJQRHTVATQ-AHIWAGSCSA-N 2 0 336.436 -0.347 20 0 EBADRP O=C(CN1CCC[NH2+]CC1)NCc1cn(C[C@@H]2CCCC[NH2+]C2)nn1 ZINC000899740406 582755294 /nfs/dbraw/zinc/75/52/94/582755294.db2.gz HBAWITPNOBGOJG-OAHLLOKOSA-N 2 0 349.483 -0.421 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900574331 582772277 /nfs/dbraw/zinc/77/22/77/582772277.db2.gz IIDTXWOWMCHGND-YOEHRIQHSA-N 2 0 340.468 -0.546 20 0 EBADRP C[N@@H+]1CCC[C@](O)(CC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000900603193 582773832 /nfs/dbraw/zinc/77/38/32/582773832.db2.gz WBGQOEJYGCOPBT-INMHGKMJSA-N 2 0 325.453 -0.109 20 0 EBADRP CN1CCO[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1=O ZINC000900682847 582778350 /nfs/dbraw/zinc/77/83/50/582778350.db2.gz JHVSAMSNRZYLIM-CQSZACIVSA-N 2 0 328.457 -0.424 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900689125 582779066 /nfs/dbraw/zinc/77/90/66/582779066.db2.gz PXAOAONNWWROHK-NVXWUHKLSA-N 2 0 326.485 -0.025 20 0 EBADRP CC(C)[NH+]1CCN(CCC(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000900901556 582785634 /nfs/dbraw/zinc/78/56/34/582785634.db2.gz SDGQZNANTCFFQB-UHFFFAOYSA-N 2 0 326.485 -0.025 20 0 EBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000901068924 582789570 /nfs/dbraw/zinc/78/95/70/582789570.db2.gz VHAJHEFKKKSOLV-ZHALLVOQSA-N 2 0 347.459 -0.023 20 0 EBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@H]1CCN(c3cnn(C)c3)C1=O)C2 ZINC000903492922 582809584 /nfs/dbraw/zinc/80/95/84/582809584.db2.gz LPKRQPQXWPBJLI-IFOZYUSPSA-N 2 0 347.419 -0.262 20 0 EBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903544735 582810653 /nfs/dbraw/zinc/81/06/53/582810653.db2.gz XDLVPPMMNGGJLZ-QWHCGFSZSA-N 2 0 333.454 -0.947 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@]23CC[NH2+]C3)CC1 ZINC000903591775 582813754 /nfs/dbraw/zinc/81/37/54/582813754.db2.gz IAKNZAMUHAMDST-OAHLLOKOSA-N 2 0 330.498 -0.218 20 0 EBADRP O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N(c1ccccn1)C1CC[NH2+]CC1 ZINC000903778296 582820300 /nfs/dbraw/zinc/82/03/00/582820300.db2.gz LEDIVXWGOICSMB-JSGCOSHPSA-N 2 0 329.404 -0.261 20 0 EBADRP CCNS(=O)(=O)CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000741086711 583069035 /nfs/dbraw/zinc/06/90/35/583069035.db2.gz OQWRKXRTVURANZ-UHFFFAOYSA-N 2 0 337.490 -0.940 20 0 EBADRP O[C@@H](CN1CCC(O)(C[NH+]2CCOCC2)CC1)C[NH+]1CCCC1 ZINC000779604419 583437566 /nfs/dbraw/zinc/43/75/66/583437566.db2.gz ZUANSKFKAAZUHE-MRXNPFEDSA-N 2 0 327.469 -0.398 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000787111502 583516043 /nfs/dbraw/zinc/51/60/43/583516043.db2.gz ZTNRBADYIAVJAC-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)C1 ZINC000793707766 583569053 /nfs/dbraw/zinc/56/90/53/583569053.db2.gz KCNLTSIHGCYXEJ-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP O=C(NCCCCn1ccnc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000793725092 583569214 /nfs/dbraw/zinc/56/92/14/583569214.db2.gz KAFYSBAUNYFCPK-GJZGRUSLSA-N 2 0 349.435 -0.241 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804053392 583638148 /nfs/dbraw/zinc/63/81/48/583638148.db2.gz JQZPASGAADVAPT-KGLIPLIRSA-N 2 0 326.441 -0.624 20 0 EBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804057242 583640046 /nfs/dbraw/zinc/64/00/46/583640046.db2.gz OKLMLJDQISSELJ-KFWWJZLASA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCC1 ZINC000807026857 583656943 /nfs/dbraw/zinc/65/69/43/583656943.db2.gz FILZUADNJSIDKW-ZIAGYGMSSA-N 2 0 338.452 -0.434 20 0 EBADRP Cn1cc(-c2nn[nH]n2)cc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000821586183 583794194 /nfs/dbraw/zinc/79/41/94/583794194.db2.gz NAWMBOSTDMBAEW-UHFFFAOYSA-N 2 0 334.428 -0.229 20 0 EBADRP CCN(C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@H]1CC[N@H+](C)C1 ZINC000827705051 583926372 /nfs/dbraw/zinc/92/63/72/583926372.db2.gz FOSHLBIKYMPVQD-SOUVJXGZSA-N 2 0 338.452 -0.482 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCOCC2)C[C@H]1C[NH+](C)C ZINC000867278314 584055466 /nfs/dbraw/zinc/05/54/66/584055466.db2.gz RKCQOZCQDDHPAZ-ZIAGYGMSSA-N 2 0 326.441 -0.957 20 0 EBADRP O=C(CO[C@H]1CCC[NH2+]C1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841851453 584055507 /nfs/dbraw/zinc/05/55/07/584055507.db2.gz WHZMMECVEQASAN-NWDGAFQWSA-N 2 0 338.374 -0.293 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)CCO1 ZINC000842016312 584056416 /nfs/dbraw/zinc/05/64/16/584056416.db2.gz UBHOJUWVWUJIRG-IHRRRGAJSA-N 2 0 326.441 -0.448 20 0 EBADRP [NH3+]C[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCCC1 ZINC000842164277 584058655 /nfs/dbraw/zinc/05/86/55/584058655.db2.gz HRGNQOKPFRUECP-KKUMJFAQSA-N 2 0 338.452 -0.401 20 0 EBADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)[C@@H](C)C[N@@H+]1CCO ZINC000842176235 584059651 /nfs/dbraw/zinc/05/96/51/584059651.db2.gz LFZVIPBBXUYYIP-QKPAOTATSA-N 2 0 340.468 -0.054 20 0 EBADRP [NH3+]CCCCCCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000843259194 584074201 /nfs/dbraw/zinc/07/42/01/584074201.db2.gz LNVGOMVISUWMAW-ZIAGYGMSSA-N 2 0 326.441 -0.399 20 0 EBADRP [NH3+]CC(=O)NCC(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000843333115 584075888 /nfs/dbraw/zinc/07/58/88/584075888.db2.gz VNMSUEHOLKRRJZ-ZDUSSCGKSA-N 2 0 334.376 -0.391 20 0 EBADRP COCCS(=O)(=O)CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000843346918 584076478 /nfs/dbraw/zinc/07/64/78/584076478.db2.gz LEKCLWMSPGACAY-CYBMUJFWSA-N 2 0 335.470 -0.775 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1(n2cccn2)CC[NH2+]CC1 ZINC000844180305 584090018 /nfs/dbraw/zinc/09/00/18/584090018.db2.gz QVFTWVNYYUSFRS-LSDHHAIUSA-N 2 0 333.436 -0.059 20 0 EBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844181647 584090026 /nfs/dbraw/zinc/09/00/26/584090026.db2.gz GAUAYHSSXYOCSM-ZIAGYGMSSA-N 2 0 326.441 -0.541 20 0 EBADRP C[C@@H]1COCCN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867369178 584097028 /nfs/dbraw/zinc/09/70/28/584097028.db2.gz NEYOQACNMJQIGA-RBSFLKMASA-N 2 0 340.468 -0.569 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCCOCC2)C[C@H]1C[NH+](C)C ZINC000867377465 584098672 /nfs/dbraw/zinc/09/86/72/584098672.db2.gz WKTNSBBUTNBFDQ-HUUCEWRRSA-N 2 0 340.468 -0.567 20 0 EBADRP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000867419083 584125495 /nfs/dbraw/zinc/12/54/95/584125495.db2.gz AYFIDLNFMFKUAM-LRDDRELGSA-N 2 0 344.456 -0.376 20 0 EBADRP [NH3+]CCOc1cccc(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000848602088 584158602 /nfs/dbraw/zinc/15/86/02/584158602.db2.gz QHXKTTXBYGCBLY-UONOGXRCSA-N 2 0 348.403 -0.760 20 0 EBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000848933173 584163827 /nfs/dbraw/zinc/16/38/27/584163827.db2.gz ZYRUMXAQULLEAF-BYNSBNAKSA-N 2 0 338.452 -0.578 20 0 EBADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)[C@H](C[NH3+])C1 ZINC000851684873 584198336 /nfs/dbraw/zinc/19/83/36/584198336.db2.gz MJLDXHASGWPSLC-CBBWQLFWSA-N 2 0 338.452 -0.448 20 0 EBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000851689973 584199528 /nfs/dbraw/zinc/19/95/28/584199528.db2.gz XMQKERHQDBMABA-GOEBONIOSA-N 2 0 347.463 -0.618 20 0 EBADRP C[NH+]1CCN(c2cc(CNC(=O)C3=NO[C@H](C[NH3+])C3)ccn2)CC1 ZINC000852872211 584218218 /nfs/dbraw/zinc/21/82/18/584218218.db2.gz CVEAQOLMGWBJMA-ZDUSSCGKSA-N 2 0 332.408 -0.447 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C=C2CC[NH2+]CC2)cn1 ZINC000852871142 584218364 /nfs/dbraw/zinc/21/83/64/584218364.db2.gz VVHGRLGGYQVPFE-UHFFFAOYSA-N 2 0 334.424 -0.191 20 0 EBADRP C[Si](C)(CC[NH+]1C[C@@H](O)C[C@H]1CO)CC[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000859255566 584298396 /nfs/dbraw/zinc/29/83/96/584298396.db2.gz PHOAPPXMLUZQES-VGWMRTNUSA-N 2 0 346.544 -0.450 20 0 EBADRP O=C(NC[C@@H]1CCC[NH2+]1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861639087 584332233 /nfs/dbraw/zinc/33/22/33/584332233.db2.gz QNBIRHMSIAGGPC-YUTCNCBUSA-N 2 0 337.424 -0.295 20 0 EBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000861738975 584336063 /nfs/dbraw/zinc/33/60/63/584336063.db2.gz DKQMBWBILMHDIN-CHWSQXEVSA-N 2 0 325.457 -0.923 20 0 EBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000861772586 584338304 /nfs/dbraw/zinc/33/83/04/584338304.db2.gz WEVBYAQWVCJPDX-LBPRGKRZSA-N 2 0 328.457 -0.202 20 0 EBADRP CCOCCN(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867509874 584409864 /nfs/dbraw/zinc/40/98/64/584409864.db2.gz WXPFXWFKRQWSTN-HUUCEWRRSA-N 2 0 342.484 -0.321 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)C[C@H]1C[NH3+] ZINC000868393104 584427896 /nfs/dbraw/zinc/42/78/96/584427896.db2.gz JXJMDTZKTGEUCK-LJISPDSOSA-N 2 0 338.452 -0.639 20 0 EBADRP C[N@@H+]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CCC1(C)C ZINC000868403921 584428622 /nfs/dbraw/zinc/42/86/22/584428622.db2.gz AZUOGTLBIBVHEL-CYBMUJFWSA-N 2 0 326.441 -0.495 20 0 EBADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870998825 584450844 /nfs/dbraw/zinc/45/08/44/584450844.db2.gz HIVNYFBVXLBNPZ-FPCVCCKLSA-N 2 0 344.415 -0.050 20 0 EBADRP C[NH+]1CCC(NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000874431966 584482464 /nfs/dbraw/zinc/48/24/64/584482464.db2.gz DXYQYTYUYGHYEA-MJBXVCDLSA-N 2 0 337.424 -0.343 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCc2cccnc2)C[C@H]1C[NH+](C)C ZINC000874977372 584487578 /nfs/dbraw/zinc/48/75/78/584487578.db2.gz VWYPLWOLJAUXDF-HZPDHXFCSA-N 2 0 347.463 -0.104 20 0 EBADRP CN1CCN(C(=O)CCNC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000875068893 584489091 /nfs/dbraw/zinc/48/90/91/584489091.db2.gz QWDAXNXFQYLESE-GJZGRUSLSA-N 2 0 337.468 -0.114 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCSC2)C[C@H]1C[NH+](C)C ZINC000875198769 584493486 /nfs/dbraw/zinc/49/34/86/584493486.db2.gz SQNCXBJHIGTTTR-MGPQQGTHSA-N 2 0 342.509 -0.194 20 0 EBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000875292582 584496458 /nfs/dbraw/zinc/49/64/58/584496458.db2.gz MDFTVRLCKRPBIO-CVEARBPZSA-N 2 0 340.468 -0.004 20 0 EBADRP CNC(=O)C[C@@H](C)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875648349 584503998 /nfs/dbraw/zinc/50/39/98/584503998.db2.gz YZDJMKFZINWBMF-MGPQQGTHSA-N 2 0 327.473 -0.108 20 0 EBADRP COC[C@@]1(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)C[NH2+]CCO1 ZINC000876773491 584523309 /nfs/dbraw/zinc/52/33/09/584523309.db2.gz SIQUEQCDWPONCW-GOEBONIOSA-N 2 0 327.425 -0.828 20 0 EBADRP COC[C@]1(C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)C[NH2+]CCO1 ZINC000876917967 584526831 /nfs/dbraw/zinc/52/68/31/584526831.db2.gz CZQFJMLXKNLEAE-VYDXJSESSA-N 2 0 341.452 -0.264 20 0 EBADRP O=C(CCC12CC(C1)C[NH2+]2)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000876996721 584528175 /nfs/dbraw/zinc/52/81/75/584528175.db2.gz AQQAYHKRALPCLZ-UHFFFAOYSA-N 2 0 335.452 -0.312 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCN1c1cc[nH+]cc1 ZINC000883641348 584603902 /nfs/dbraw/zinc/60/39/02/584603902.db2.gz MQFYVOZBKLNWEC-LZWOXQAQSA-N 2 0 343.431 -0.061 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CCN1c1cc[nH+]cc1 ZINC000883638434 584603987 /nfs/dbraw/zinc/60/39/87/584603987.db2.gz MJKSHFWQPKROKD-KGLIPLIRSA-N 2 0 331.420 -0.074 20 0 EBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000883651080 584604594 /nfs/dbraw/zinc/60/45/94/584604594.db2.gz HSGGGOHKVQZITR-HNNXBMFYSA-N 2 0 339.484 -0.578 20 0 EBADRP O=C(NCC[N@@H+]1CCCOCC1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884319860 584621683 /nfs/dbraw/zinc/62/16/83/584621683.db2.gz FOOVLEHCSIADCN-UHFFFAOYSA-N 2 0 333.436 -0.057 20 0 EBADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000884430453 584623576 /nfs/dbraw/zinc/62/35/76/584623576.db2.gz PSAIRLLZUKZFCE-AWEZNQCLSA-N 2 0 325.457 -0.210 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000884587236 584628904 /nfs/dbraw/zinc/62/89/04/584628904.db2.gz DISKJXKRMWZVQA-XJKSGUPXSA-N 2 0 326.441 -0.861 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000884597683 584629001 /nfs/dbraw/zinc/62/90/01/584629001.db2.gz GZFXZAIWVYJWBG-HNNXBMFYSA-N 2 0 339.484 -0.530 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000884603207 584629233 /nfs/dbraw/zinc/62/92/33/584629233.db2.gz FCMXPUMECFVOOI-UHFFFAOYSA-N 2 0 328.457 -0.153 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000884662655 584632271 /nfs/dbraw/zinc/63/22/71/584632271.db2.gz VTWJQPJAMVFQIR-INIZCTEOSA-N 2 0 348.447 -0.489 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CCN1c1cc[nH+]cc1 ZINC000884674581 584633098 /nfs/dbraw/zinc/63/30/98/584633098.db2.gz ZTAJHDNMNGPYGZ-ZIAGYGMSSA-N 2 0 331.420 -0.013 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CCN1c1cc[nH+]cc1 ZINC000884688283 584634442 /nfs/dbraw/zinc/63/44/42/584634442.db2.gz XXXYRNCAEIMHRG-KGLIPLIRSA-N 2 0 331.420 -0.013 20 0 EBADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000884723839 584636065 /nfs/dbraw/zinc/63/60/65/584636065.db2.gz AYTMPHRYSRSYGG-XOYHFGRZSA-N 2 0 340.468 -0.140 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CCN1c1cc[nH+]cc1 ZINC000884815510 584638416 /nfs/dbraw/zinc/63/84/16/584638416.db2.gz REAFJAGJXXGIGH-KGLIPLIRSA-N 2 0 347.419 -0.777 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884884201 584640438 /nfs/dbraw/zinc/64/04/38/584640438.db2.gz YJNXLXGFAOSRRQ-CQSZACIVSA-N 2 0 342.484 -0.083 20 0 EBADRP CN1CCN(C(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)[C@H](C[NH3+])C1 ZINC000884985869 584642096 /nfs/dbraw/zinc/64/20/96/584642096.db2.gz CJDOHBKHHZHRJC-XOYHFGRZSA-N 2 0 339.484 -0.533 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885198994 584645441 /nfs/dbraw/zinc/64/54/41/584645441.db2.gz KNBCFQHAABIFHB-ZDUSSCGKSA-N 2 0 328.457 -0.201 20 0 EBADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000887091871 584676397 /nfs/dbraw/zinc/67/63/97/584676397.db2.gz ZLBZZBFFRMPSJX-UONOGXRCSA-N 2 0 331.420 -0.061 20 0 EBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2[nH]nc3c2C[NH2+]CC3)CC1 ZINC000446371773 650011047 /nfs/dbraw/zinc/01/10/47/650011047.db2.gz XPMIVUJNEMZLHK-UHFFFAOYSA-N 2 0 348.451 -0.272 20 0 EBADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000628104105 650024798 /nfs/dbraw/zinc/02/47/98/650024798.db2.gz GTJFFOPQJJHEMY-INIZCTEOSA-N 2 0 348.447 -0.088 20 0 EBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000904956617 650051721 /nfs/dbraw/zinc/05/17/21/650051721.db2.gz PDUAIDZTLDEUSQ-CYBMUJFWSA-N 2 0 327.473 -0.866 20 0 EBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2CCOC)C1 ZINC000904986315 650055561 /nfs/dbraw/zinc/05/55/61/650055561.db2.gz HPFUIKDPWMTKBK-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C[C@H]1C[NH3+] ZINC000904989000 650055722 /nfs/dbraw/zinc/05/57/22/650055722.db2.gz XEPXHTJZKYIPGO-KBXIAJHMSA-N 2 0 338.452 -0.903 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)CC1 ZINC000905448027 650063672 /nfs/dbraw/zinc/06/36/72/650063672.db2.gz WNWLUQRQLSUZND-ZJUUUORDSA-N 2 0 335.317 -0.257 20 0 EBADRP CC(C)[C@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)N1CCOCC1 ZINC000905679052 650064119 /nfs/dbraw/zinc/06/41/19/650064119.db2.gz IFJYVNYTCUUWBJ-INIZCTEOSA-N 2 0 326.485 -0.047 20 0 EBADRP C[N@@H+]1C[C@@H]2CN(S(=O)(=O)CCCN3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC000907564837 650086204 /nfs/dbraw/zinc/08/62/04/650086204.db2.gz REGZSUFKVDIXFZ-CVEARBPZSA-N 2 0 344.525 -0.163 20 0 EBADRP O=C(NCC1(NC(=O)C23CC[NH+](CC2)C3)CC1)C12CC[NH+](CC1)C2 ZINC000907794375 650090689 /nfs/dbraw/zinc/09/06/89/650090689.db2.gz NGOSDRNFPYKGBS-UHFFFAOYSA-N 2 0 332.448 -0.057 20 0 EBADRP CCOC(=O)[C@H]1CCCN(CC(=O)N[C@H](CO)C[NH+]2CCCC2)C1 ZINC000908205618 650098641 /nfs/dbraw/zinc/09/86/41/650098641.db2.gz OLGGCRTWXQMNGR-GJZGRUSLSA-N 2 0 341.452 -0.166 20 0 EBADRP C[NH+]1CCN(CCNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1(C)C ZINC000908002715 650093056 /nfs/dbraw/zinc/09/30/56/650093056.db2.gz VVIRQCKOHHPXOK-QGZVFWFLSA-N 2 0 326.485 -0.025 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)[NH+]1CCCCC1 ZINC000910946450 650141575 /nfs/dbraw/zinc/14/15/75/650141575.db2.gz MCWIQFYMVRNICU-CJNGLKHVSA-N 2 0 326.441 -0.711 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1)[NH+]1CCCCC1 ZINC000910946247 650141596 /nfs/dbraw/zinc/14/15/96/650141596.db2.gz IRXSDVRPKIFPNY-AWEZNQCLSA-N 2 0 340.468 -0.057 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000910972866 650142425 /nfs/dbraw/zinc/14/24/25/650142425.db2.gz RYGHCXLHQQXGFO-VNQPRFMTSA-N 2 0 332.448 0.000 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CCCO1 ZINC000910983572 650143776 /nfs/dbraw/zinc/14/37/76/650143776.db2.gz HYEASPZBPXJMOA-ZNMIVQPWSA-N 2 0 340.468 -0.153 20 0 EBADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000911004162 650144764 /nfs/dbraw/zinc/14/47/64/650144764.db2.gz OBJBSSPTXMARGR-INIZCTEOSA-N 2 0 326.441 -0.853 20 0 EBADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000911038737 650147508 /nfs/dbraw/zinc/14/75/08/650147508.db2.gz GBXOLHCVKMFTGV-AWEZNQCLSA-N 2 0 340.468 -0.058 20 0 EBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1COC ZINC000911054975 650147989 /nfs/dbraw/zinc/14/79/89/650147989.db2.gz NESMRTVTMHKWMN-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[NH2+]C[C@H]1COC ZINC000911056167 650148561 /nfs/dbraw/zinc/14/85/61/650148561.db2.gz SFLZHBFFSMHGGA-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000911073437 650149250 /nfs/dbraw/zinc/14/92/50/650149250.db2.gz SACHHHRCHZFJEA-UKRRQHHQSA-N 2 0 348.447 -0.033 20 0 EBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000911080417 650149604 /nfs/dbraw/zinc/14/96/04/650149604.db2.gz RHQZFAQVHDGLKH-XJKCOSOUSA-N 2 0 326.441 -0.712 20 0 EBADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)C(C)(C)C ZINC000911076802 650149807 /nfs/dbraw/zinc/14/98/07/650149807.db2.gz JPTGNFUHMCEHBJ-GUYCJALGSA-N 2 0 342.484 -0.219 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000911091665 650150707 /nfs/dbraw/zinc/15/07/07/650150707.db2.gz OJEXHUCFRVUTSE-YOEHRIQHSA-N 2 0 340.468 -0.465 20 0 EBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1(C)C ZINC000911097699 650151304 /nfs/dbraw/zinc/15/13/04/650151304.db2.gz VJRDPIRKVGBSNN-HZSPNIEDSA-N 2 0 337.468 -0.862 20 0 EBADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)NC[C@H]1C[N@@H+]3CCC[C@H]3CO1)C2 ZINC000911149574 650154768 /nfs/dbraw/zinc/15/47/68/650154768.db2.gz XWQCPTIAQPBESH-AICCOOGYSA-N 2 0 336.436 -0.696 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911149171 650154949 /nfs/dbraw/zinc/15/49/49/650154949.db2.gz VAZYLOHSNFYLSX-SOUVJXGZSA-N 2 0 338.452 -0.386 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[C@H]1C[NH3+] ZINC000911148899 650154957 /nfs/dbraw/zinc/15/49/57/650154957.db2.gz SOUAKTLUZCIIAX-LXTVHRRPSA-N 2 0 338.452 -0.591 20 0 EBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000911161947 650155315 /nfs/dbraw/zinc/15/53/15/650155315.db2.gz MZJOFZPPBLEVOF-RDBSUJKOSA-N 2 0 326.441 -0.578 20 0 EBADRP C[C@@H](NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])[C@H]1CN(C)CCO1 ZINC000911161347 650155866 /nfs/dbraw/zinc/15/58/66/650155866.db2.gz IIEOTEWHRZGEBQ-RAEVTNRLSA-N 2 0 346.431 -0.437 20 0 EBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911184362 650157625 /nfs/dbraw/zinc/15/76/25/650157625.db2.gz TUMHHQWPULARSC-LSDHHAIUSA-N 2 0 338.452 -0.717 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000911189231 650158490 /nfs/dbraw/zinc/15/84/90/650158490.db2.gz ZDJCQMKAPNCMBP-YMAMQOFZSA-N 2 0 340.468 -0.330 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000911202459 650159457 /nfs/dbraw/zinc/15/94/57/650159457.db2.gz VWJPRIIKCKQUDR-UONOGXRCSA-N 2 0 342.484 -0.084 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1COC ZINC000911211306 650160466 /nfs/dbraw/zinc/16/04/66/650160466.db2.gz UPKVMOSDWLAIHS-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)C1 ZINC000911243216 650163025 /nfs/dbraw/zinc/16/30/25/650163025.db2.gz USOKIKUGALLAEW-ZIAGYGMSSA-N 2 0 326.441 -0.528 20 0 EBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000911243712 650163043 /nfs/dbraw/zinc/16/30/43/650163043.db2.gz YVHZGCUOVNCOLV-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911299010 650167722 /nfs/dbraw/zinc/16/77/22/650167722.db2.gz QLDATBRXITUJFM-KBPBESRZSA-N 2 0 340.468 -0.322 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000911258081 650164085 /nfs/dbraw/zinc/16/40/85/650164085.db2.gz MNWUTPWVQHWVLD-UONOGXRCSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000911298189 650167766 /nfs/dbraw/zinc/16/77/66/650167766.db2.gz SPBHAUWFWCNCMT-NEULZYRMSA-N 2 0 338.452 -0.374 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000911269351 650164661 /nfs/dbraw/zinc/16/46/61/650164661.db2.gz JUCDFUDMPPCCRK-KFWWJZLASA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)C[NH+]1CCN(C)CC1 ZINC000911270504 650164784 /nfs/dbraw/zinc/16/47/84/650164784.db2.gz XXQPYQAZAJRULK-UONOGXRCSA-N 2 0 339.484 -0.900 20 0 EBADRP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000911278335 650165884 /nfs/dbraw/zinc/16/58/84/650165884.db2.gz ZWKRDEKNAOKMEE-RRFJBIMHSA-N 2 0 338.452 -0.698 20 0 EBADRP C[C@@H](CCNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)[NH+]1CCCCC1 ZINC000911242880 650162173 /nfs/dbraw/zinc/16/21/73/650162173.db2.gz KXQSBEWBJUNNBG-WMLDXEAASA-N 2 0 340.468 -0.321 20 0 EBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911302876 650168308 /nfs/dbraw/zinc/16/83/08/650168308.db2.gz LAYRMUQCJOGRHQ-BARDWOONSA-N 2 0 338.452 -0.842 20 0 EBADRP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000911324956 650171198 /nfs/dbraw/zinc/17/11/98/650171198.db2.gz NPXWYONDPXZWTG-GRDNDAEWSA-N 2 0 338.452 -0.568 20 0 EBADRP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000911324957 650171298 /nfs/dbraw/zinc/17/12/98/650171298.db2.gz NPXWYONDPXZWTG-JJRVBVJISA-N 2 0 338.452 -0.568 20 0 EBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911335743 650171876 /nfs/dbraw/zinc/17/18/76/650171876.db2.gz DYCTZWAHESISRU-ILXRZTDVSA-N 2 0 340.468 -0.466 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911346068 650173198 /nfs/dbraw/zinc/17/31/98/650173198.db2.gz NNGDCRHLQFENOY-YJNKXOJESA-N 2 0 338.452 -0.699 20 0 EBADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000911357617 650174194 /nfs/dbraw/zinc/17/41/94/650174194.db2.gz GRSVWIZCSTVTOZ-IMRCBTMISA-N 2 0 340.468 -0.322 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@H]1CCCN2CCSC[C@H]12 ZINC000911383839 650177337 /nfs/dbraw/zinc/17/73/37/650177337.db2.gz VBXVFJXUBIKMIY-ZOBORPQBSA-N 2 0 340.493 -0.346 20 0 EBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000911386037 650177875 /nfs/dbraw/zinc/17/78/75/650177875.db2.gz MUTPYKSGMOKGRF-ZIAGYGMSSA-N 2 0 338.452 -0.528 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000911402695 650178804 /nfs/dbraw/zinc/17/88/04/650178804.db2.gz INWBENQEOVGJSS-AWEZNQCLSA-N 2 0 335.408 -0.789 20 0 EBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911414058 650180301 /nfs/dbraw/zinc/18/03/01/650180301.db2.gz XHKAASUKNYSYDR-HNNXBMFYSA-N 2 0 339.484 -0.485 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N(C)C1CCC([NH3+])CC1)C[NH+](C)C ZINC000911435393 650183395 /nfs/dbraw/zinc/18/33/95/650183395.db2.gz MHKMIUYDKLGIGP-JXQTWKCFSA-N 2 0 328.457 -0.202 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)C[NH+](C)C ZINC000911435838 650184041 /nfs/dbraw/zinc/18/40/41/650184041.db2.gz PZMINJYDZPSVDS-UONOGXRCSA-N 2 0 328.457 -0.343 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911517138 650189355 /nfs/dbraw/zinc/18/93/55/650189355.db2.gz IESZWUBTXCCOQL-HZPDHXFCSA-N 2 0 348.447 -0.236 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)C[C@@H](C)O1 ZINC000911527959 650190526 /nfs/dbraw/zinc/19/05/26/650190526.db2.gz MQUFBCOVUMSWHD-MGPQQGTHSA-N 2 0 340.468 -0.284 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCO1 ZINC000911544870 650192013 /nfs/dbraw/zinc/19/20/13/650192013.db2.gz GMXLEQDXKZQCFP-BYNSBNAKSA-N 2 0 338.452 -0.435 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C[C@@H](C)O1 ZINC000911550038 650193133 /nfs/dbraw/zinc/19/31/33/650193133.db2.gz PIQWTFJOAJOHJV-ARILJUKYSA-N 2 0 338.452 -0.389 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911559247 650193669 /nfs/dbraw/zinc/19/36/69/650193669.db2.gz WJMIQMSGBGCWTL-OAHLLOKOSA-N 3 0 341.500 -0.413 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911563527 650194101 /nfs/dbraw/zinc/19/41/01/650194101.db2.gz OMRUCNARRMXDEK-MGPQQGTHSA-N 2 0 326.441 -0.591 20 0 EBADRP C[NH+](C)CCn1nccc1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000911871642 650197983 /nfs/dbraw/zinc/19/79/83/650197983.db2.gz DWTZBUXEWVVSJT-UHFFFAOYSA-N 2 0 336.440 -0.709 20 0 EBADRP C[NH+](C)CCN1CCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1=O ZINC000911875117 650198154 /nfs/dbraw/zinc/19/81/54/650198154.db2.gz QOPYEUCCFQXCBU-INIZCTEOSA-N 2 0 326.441 -0.934 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC000913919152 650248954 /nfs/dbraw/zinc/24/89/54/650248954.db2.gz DQCNLSUPTXLJFF-KJWHEZOQSA-N 2 0 340.468 -0.740 20 0 EBADRP C[C@@H]1[C@H](NC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@@H+]1C ZINC000919517279 650302507 /nfs/dbraw/zinc/30/25/07/650302507.db2.gz NCJYDOCABGBSJC-HZSPNIEDSA-N 2 0 325.457 -0.034 20 0 EBADRP C[NH+](C)CC(=O)N1CCN(C(=S)NC2CC[NH+](C)CC2)CC1 ZINC000920310778 650310828 /nfs/dbraw/zinc/31/08/28/650310828.db2.gz PJSLLJGWVCABEE-UHFFFAOYSA-N 2 0 327.498 -0.339 20 0 EBADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)C12CC[NH+](CC1)C2 ZINC000922341708 650331134 /nfs/dbraw/zinc/33/11/34/650331134.db2.gz UGXYYYXLELEAJA-MRXNPFEDSA-N 2 0 336.480 -0.005 20 0 EBADRP CCOC(=O)CNC(=O)C1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923373574 650338653 /nfs/dbraw/zinc/33/86/53/650338653.db2.gz PJRXQWVSJZPLFO-AWEZNQCLSA-N 2 0 339.436 -0.244 20 0 EBADRP CN(C[C@@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1)S(C)(=O)=O ZINC000923375783 650338729 /nfs/dbraw/zinc/33/87/29/650338729.db2.gz FCURJYISKJWJLE-KBPBESRZSA-N 2 0 331.482 -0.032 20 0 EBADRP COC[C@@H](C)OC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000923429465 650339915 /nfs/dbraw/zinc/33/99/15/650339915.db2.gz UXAOMWIHNHUCKM-AQRJEWBLSA-N 2 0 330.425 -0.389 20 0 EBADRP COCC[N@H+](C)C[C@@H](O)CN1C[C@H]2CC[C@@H](C1)[NH+]2C1CC[NH2+]CC1 ZINC000923430315 650340249 /nfs/dbraw/zinc/34/02/49/650340249.db2.gz FCHPVFRVQICKFE-FGTMMUONSA-N 3 0 340.512 -0.174 20 0 EBADRP COc1cccc(OC)c1OC[C@H](O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923460814 650341079 /nfs/dbraw/zinc/34/10/79/650341079.db2.gz RNNZHMHQNHJGFV-CQSZACIVSA-N 2 0 339.436 -0.062 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@]([NH3+])(CO)C2)C1 ZINC000923476353 650341704 /nfs/dbraw/zinc/34/17/04/650341704.db2.gz CREIQJQSSJVHHI-DOTOQJQBSA-N 2 0 342.484 -0.755 20 0 EBADRP COc1cc[nH+]c(N2CCN(S(=O)(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000923607131 650346482 /nfs/dbraw/zinc/34/64/82/650346482.db2.gz VNVSVKZNUVQBCV-UHFFFAOYSA-N 2 0 341.437 -0.638 20 0 EBADRP O=S(=O)(NCc1cc(O[C@@H]2CC[NH2+]C2)ccn1)[C@H]1CCC[NH2+]C1 ZINC000923647227 650350802 /nfs/dbraw/zinc/35/08/02/650350802.db2.gz CSFDYOLDCRHVGV-CABCVRRESA-N 2 0 340.449 -0.006 20 0 EBADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C[C@H]1C[NH+](C)C ZINC000923661122 650351412 /nfs/dbraw/zinc/35/14/12/650351412.db2.gz BOYVGNMLTAQSPT-KFWWJZLASA-N 3 0 332.514 -0.261 20 0 EBADRP [NH3+]C[C@H]1CC2(CO1)CCN(S(=O)(=O)C[C@H]1C[NH2+]CCO1)CC2 ZINC000923687778 650352906 /nfs/dbraw/zinc/35/29/06/650352906.db2.gz LIJZVCRTZWRNRM-CHWSQXEVSA-N 2 0 333.454 -0.866 20 0 EBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000926318945 650385395 /nfs/dbraw/zinc/38/53/95/650385395.db2.gz CKDTUFCQOINQOV-INIZCTEOSA-N 2 0 326.441 -0.759 20 0 EBADRP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000926322265 650386243 /nfs/dbraw/zinc/38/62/43/650386243.db2.gz VGQFILRAVXZYQD-OAHLLOKOSA-N 2 0 337.468 -0.905 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926328825 650386257 /nfs/dbraw/zinc/38/62/57/650386257.db2.gz SRTWYHGLMQIUQY-GJZGRUSLSA-N 2 0 340.468 -0.247 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C[C@H]1[NH3+] ZINC000926331528 650386555 /nfs/dbraw/zinc/38/65/55/650386555.db2.gz BDEHOYHRKUBAPU-RBSFLKMASA-N 2 0 337.468 -0.970 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000926335309 650386848 /nfs/dbraw/zinc/38/68/48/650386848.db2.gz XLXNTMSLDNKQKG-ZIAGYGMSSA-N 2 0 328.457 -0.534 20 0 EBADRP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000926334383 650386898 /nfs/dbraw/zinc/38/68/98/650386898.db2.gz TZOLLPVRKCRRIK-YOEHRIQHSA-N 2 0 338.452 -0.615 20 0 EBADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926347602 650388063 /nfs/dbraw/zinc/38/80/63/650388063.db2.gz GLEYKJDZVPYEHF-UHFFFAOYSA-N 2 0 341.500 -0.412 20 0 EBADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC[C@@]([NH3+])(CO)C3)C2)C1 ZINC000926410906 650391853 /nfs/dbraw/zinc/39/18/53/650391853.db2.gz BVPPSZNIIZZJKC-SJORKVTESA-N 2 0 338.452 -0.757 20 0 EBADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)[N@H+](C)C1 ZINC000926425785 650392581 /nfs/dbraw/zinc/39/25/81/650392581.db2.gz LIVKJOOTPCSAPZ-XGUBFFRZSA-N 2 0 338.452 -0.768 20 0 EBADRP Cn1nnc2c1C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC2 ZINC000927855393 651508464 /nfs/dbraw/zinc/50/84/64/651508464.db2.gz VLHFIEBSFBQLOY-ZDUSSCGKSA-N 2 0 337.472 -0.193 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1 ZINC000930008933 651576588 /nfs/dbraw/zinc/57/65/88/651576588.db2.gz IIQHUAOHPKZXFT-GRDNDAEWSA-N 2 0 338.452 -0.767 20 0 EBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000930149550 651586612 /nfs/dbraw/zinc/58/66/12/651586612.db2.gz STOMKBQLRGNYGX-CQSZACIVSA-N 2 0 341.500 -0.605 20 0 EBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](C[NH+](C)C)OCC)C1 ZINC000931018011 651620138 /nfs/dbraw/zinc/62/01/38/651620138.db2.gz KLEINPNTJPRFJX-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@H](CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931276815 651628933 /nfs/dbraw/zinc/62/89/33/651628933.db2.gz IEMGQNRNEZGGBC-XTEMYCMMSA-N 2 0 349.523 -0.525 20 0 EBADRP CN1CC[NH+](CCCCCC[N@H+]2CCN(C)[C@H](CO)C2)C[C@H]1CO ZINC000931402539 651630865 /nfs/dbraw/zinc/63/08/65/651630865.db2.gz FDCZLHPNRJLEDL-ROUUACIJSA-N 2 0 342.528 -0.237 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC12CC[NH+](C)CC2)C[NH+](C)C ZINC000932465172 651681095 /nfs/dbraw/zinc/68/10/95/651681095.db2.gz YBLOSRTUYGRMNI-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(=O)N1CCO[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000932685484 651689340 /nfs/dbraw/zinc/68/93/40/651689340.db2.gz XRIUBXLISHMGEW-MRXNPFEDSA-N 2 0 342.484 -0.034 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C2C[NH+](C[C@@H]3CCOC3)C2)CC1 ZINC000941344995 652682565 /nfs/dbraw/zinc/68/25/65/652682565.db2.gz MXTILWCXIDRASF-DOTOQJQBSA-N 2 0 336.480 -0.055 20 0 EBADRP C[C@H]1C[N@H+](CCN2CCNC2=O)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944170844 652700848 /nfs/dbraw/zinc/70/08/48/652700848.db2.gz VNXXGSPLYQFUHQ-LSDHHAIUSA-N 2 0 349.479 -0.066 20 0 EBADRP O=C(N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C12CC[NH+](CC1)C2 ZINC000941689392 652883681 /nfs/dbraw/zinc/88/36/81/652883681.db2.gz YRTICWUXGWFPMN-CQSZACIVSA-N 2 0 332.448 -0.105 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(O)(C[NH2+][C@H]3CCCNC3=O)CC2)C1 ZINC000946927785 653274116 /nfs/dbraw/zinc/27/41/16/653274116.db2.gz MYIVOPNCXVLNQG-KBPBESRZSA-N 2 0 338.452 -0.840 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1)[NH+](C)C ZINC000941275939 653480327 /nfs/dbraw/zinc/48/03/27/653480327.db2.gz KMYBQLVQJAGDID-APIJFGDWSA-N 2 0 340.468 -0.237 20 0 EBADRP C[N@@H+]1CCO[C@@H]2CN(c3ncccc3C(=O)N3CC[NH2+]CC3)C[C@H]21 ZINC001164672454 719409665 /nfs/dbraw/zinc/40/96/65/719409665.db2.gz RSITXKHORVIIRB-HUUCEWRRSA-N 2 0 331.420 -0.354 20 0 EBADRP C[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891403098 719424021 /nfs/dbraw/zinc/42/40/21/719424021.db2.gz HNLSWKFJBZTADG-RQJABVFESA-N 2 0 337.424 -0.343 20 0 EBADRP COCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958171532 722318114 /nfs/dbraw/zinc/31/81/14/722318114.db2.gz KDQWAISMHBJAAH-LSDHHAIUSA-N 2 0 325.453 -0.082 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC000958215260 722328952 /nfs/dbraw/zinc/32/89/52/722328952.db2.gz VHNUMKKMOCBAJH-HZPDHXFCSA-N 2 0 347.463 -0.080 20 0 EBADRP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC000958346256 722349836 /nfs/dbraw/zinc/34/98/36/722349836.db2.gz XEURFDBSHNHTIU-KBPBESRZSA-N 2 0 325.409 -0.254 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958595670 722398453 /nfs/dbraw/zinc/39/84/53/722398453.db2.gz UDYSUYJPXZUOKC-HZPDHXFCSA-N 2 0 337.464 -0.082 20 0 EBADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000958751302 722426687 /nfs/dbraw/zinc/42/66/87/722426687.db2.gz JDVBQQBRHSZFKT-XGUBFFRZSA-N 2 0 338.452 -0.795 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC000960086335 722790512 /nfs/dbraw/zinc/79/05/12/722790512.db2.gz JJBWFIWFQAOFJX-BFHYXJOUSA-N 2 0 336.436 -0.144 20 0 EBADRP C[N@H+](C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCC(=O)NC1=O ZINC000960978100 722883745 /nfs/dbraw/zinc/88/37/45/722883745.db2.gz HFPCMFXJLNPFLL-ZIAGYGMSSA-N 2 0 348.447 -0.190 20 0 EBADRP C[N@H+](C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1)[C@H]1CCC(=O)NC1=O ZINC000961031503 722889276 /nfs/dbraw/zinc/88/92/76/722889276.db2.gz YEJCLIGPXPZIMZ-KBPBESRZSA-N 2 0 336.436 -0.190 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001019044703 728780697 /nfs/dbraw/zinc/78/06/97/728780697.db2.gz YDLCYILXPHVKMW-LSDHHAIUSA-N 2 0 338.452 -0.480 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC000961771002 723077761 /nfs/dbraw/zinc/07/77/61/723077761.db2.gz IWQIMPMQVZFCIA-ZXTQRBJTSA-N 2 0 348.447 -0.334 20 0 EBADRP CN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCC(C)(C)C2)C1=O ZINC000961793192 723084965 /nfs/dbraw/zinc/08/49/65/723084965.db2.gz ZICAVWHPCCXNLQ-CTASWTNQSA-N 2 0 334.464 -0.005 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC2CC(C[NH2+][C@@H]3CCNC3=O)C2)n1 ZINC000961847728 723099483 /nfs/dbraw/zinc/09/94/83/723099483.db2.gz JBTCXBHNAALGPD-JXQTWKCFSA-N 2 0 348.451 -0.569 20 0 EBADRP O=C(NC1CC(C[NH2+][C@H]2CCC(=O)NC2=O)C1)C12CCC[NH+]1CCC2 ZINC000962033184 723153606 /nfs/dbraw/zinc/15/36/06/723153606.db2.gz MDFROINSMSHBDU-RUXDESIVSA-N 2 0 348.447 -0.096 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC000962567752 723285998 /nfs/dbraw/zinc/28/59/98/723285998.db2.gz LYYDIKOHBVFGAH-AIANPOQGSA-N 2 0 333.436 -0.614 20 0 EBADRP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC[C@H]([NH2+]CCn2cccn2)C1 ZINC001019166719 728813578 /nfs/dbraw/zinc/81/35/78/728813578.db2.gz PIODVJUYXYOGJW-LPMVOBIJSA-N 2 0 345.447 -0.063 20 0 EBADRP CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001019337713 728863370 /nfs/dbraw/zinc/86/33/70/728863370.db2.gz XDSQRGGIBRTAMN-GXTWGEPZSA-N 2 0 339.440 -0.685 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001019382932 728875954 /nfs/dbraw/zinc/87/59/54/728875954.db2.gz PKUWSXDJPUECCS-GJZGRUSLSA-N 2 0 338.452 -0.623 20 0 EBADRP CC1CC[NH+](CC(=O)N2CC[C@H]([NH2+]CCN3CCNC3=O)C2)CC1 ZINC001019560615 728921994 /nfs/dbraw/zinc/92/19/94/728921994.db2.gz PGMGLAJLIDGWPE-HNNXBMFYSA-N 2 0 337.468 -0.066 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H]([NH2+][C@@H]3CCNC3=O)C2)n1 ZINC000968719442 725109440 /nfs/dbraw/zinc/10/94/40/725109440.db2.gz UBRRFGTYJMJVCO-CHWSQXEVSA-N 2 0 334.424 -0.863 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000969595211 725195769 /nfs/dbraw/zinc/19/57/69/725195769.db2.gz PBZHATLDDVEAQW-BFHYXJOUSA-N 2 0 329.466 -0.294 20 0 EBADRP C[C@@H](NC(=O)[C@H]1CN(C)C[C@@H](C)O1)C1C[NH+](CCn2cncn2)C1 ZINC000969945971 725230780 /nfs/dbraw/zinc/23/07/80/725230780.db2.gz ZBMPIVXQIPSVJJ-UMVBOHGHSA-N 2 0 336.440 -0.566 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)[NH+](C)C ZINC000969985946 725235259 /nfs/dbraw/zinc/23/52/59/725235259.db2.gz PBOYCCSNUMTIBW-MJBXVCDLSA-N 2 0 331.482 -0.048 20 0 EBADRP CC[C@H]([NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1)C(N)=O ZINC000970231389 725265440 /nfs/dbraw/zinc/26/54/40/725265440.db2.gz PIFMJSHJEOWRAR-KGLIPLIRSA-N 2 0 336.440 -0.487 20 0 EBADRP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1)C(N)=O ZINC000970355830 725282096 /nfs/dbraw/zinc/28/20/96/725282096.db2.gz PWANOPRFCUXUQM-TZMCWYRMSA-N 2 0 326.441 -0.448 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+][C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)CCO1 ZINC000970716311 725320052 /nfs/dbraw/zinc/32/00/52/725320052.db2.gz BPSYJSLTAAUFSH-HUUCEWRRSA-N 2 0 338.452 -0.480 20 0 EBADRP C[N@H+](CCN1C(=O)CNC1=O)[C@@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC000971654521 725428462 /nfs/dbraw/zinc/42/84/62/725428462.db2.gz AFPAVSXXLYNOFR-CYBMUJFWSA-N 2 0 348.407 -0.573 20 0 EBADRP C[NH+](C)C1(C(=O)N2CC[C@H]([N@H+](C)[C@H]3CCC(=O)NC3=O)C2)CCC1 ZINC000971676854 725429864 /nfs/dbraw/zinc/42/98/64/725429864.db2.gz HURKROKAPBDSPP-STQMWFEESA-N 2 0 336.436 -0.191 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCN2CCNC2=O)C1)C1CC1 ZINC000971681055 725430025 /nfs/dbraw/zinc/43/00/25/725430025.db2.gz BDXDIGVLVBODGK-LSDHHAIUSA-N 2 0 337.468 -0.116 20 0 EBADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H](N(C)CC(=O)N3CCC3)C2)O1 ZINC000971781423 725436709 /nfs/dbraw/zinc/43/67/09/725436709.db2.gz JZALRWSXUPYVBB-QLFBSQMISA-N 2 0 338.452 -0.530 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH+](C)CCN3CCNC3=O)C2)C1 ZINC000972336780 725500717 /nfs/dbraw/zinc/50/07/17/725500717.db2.gz ZTSKYRFOPOGDIZ-HUUCEWRRSA-N 2 0 337.468 -0.114 20 0 EBADRP C[C@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000972627601 725565192 /nfs/dbraw/zinc/56/51/92/725565192.db2.gz HSCFCPGQKJAKAC-CHWSQXEVSA-N 2 0 326.441 -0.496 20 0 EBADRP C[N@H+](CCN1CCNC1=O)[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000972733044 725588688 /nfs/dbraw/zinc/58/86/88/725588688.db2.gz OKOABTIPOQJAQI-GJZGRUSLSA-N 2 0 337.468 -0.114 20 0 EBADRP O=C(NC1CN(C(=O)C23CC[NH+](CC2)C3)C1)[C@H]1C[NH+]2CCC1CC2 ZINC000991891837 725668157 /nfs/dbraw/zinc/66/81/57/725668157.db2.gz WWAUEPBMWOEGJP-HNNXBMFYSA-N 2 0 332.448 -0.249 20 0 EBADRP CC[C@H](C(=O)N1CCO[C@H](C[NH2+]Cc2cnnn2CC)C1)[NH+](C)C ZINC001051683372 735321490 /nfs/dbraw/zinc/32/14/90/735321490.db2.gz HBNKQLFEGNYQHA-HUUCEWRRSA-N 2 0 338.456 -0.045 20 0 EBADRP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)C[C@H]32)C1 ZINC000976534623 726337936 /nfs/dbraw/zinc/33/79/36/726337936.db2.gz ALSSHGSRMFJKDL-LVNYTYFRSA-N 2 0 334.464 -0.147 20 0 EBADRP C[NH+]1CCC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCCC2)CC1 ZINC000976540412 726340349 /nfs/dbraw/zinc/34/03/49/726340349.db2.gz LFVNNAHOJSWTRX-QLPKVWCKSA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000976550478 726345766 /nfs/dbraw/zinc/34/57/66/726345766.db2.gz YNKLKSGKHUMEOR-LVNYTYFRSA-N 2 0 334.464 -0.147 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@H]32)CC[N@@H+]1C ZINC000976601901 726359018 /nfs/dbraw/zinc/35/90/18/726359018.db2.gz YOFJMFWAGGYOHV-JQOWZUPLSA-N 2 0 334.464 -0.149 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)nc1=O ZINC000996559758 726418398 /nfs/dbraw/zinc/41/83/98/726418398.db2.gz DPPPFSRJNAIDDH-AWEZNQCLSA-N 2 0 348.451 -0.469 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC000996561053 726418413 /nfs/dbraw/zinc/41/84/13/726418413.db2.gz OGVIVDYAJWZENP-HUUCEWRRSA-N 2 0 348.447 -0.286 20 0 EBADRP C[N@H+](CC(=O)N1CCC([NH2+][C@H]2CCC(=O)NC2=O)CC1)C1CCC1 ZINC000996665499 726421605 /nfs/dbraw/zinc/42/16/05/726421605.db2.gz MHYIXWFCPVNOQC-AWEZNQCLSA-N 2 0 336.436 -0.144 20 0 EBADRP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1)C(N)=O ZINC000996821810 726428876 /nfs/dbraw/zinc/42/88/76/726428876.db2.gz JHTFMFSCDOGZQV-NYYRHTKUSA-N 2 0 336.436 -0.696 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCC([NH2+][C@@H]3CCC(=O)NC3=O)CC2)CC1 ZINC000996946014 726433637 /nfs/dbraw/zinc/43/36/37/726433637.db2.gz MWYQTDGAOSAJKQ-CQSZACIVSA-N 2 0 336.436 -0.286 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]CCN2CCNC2=O)CC1 ZINC000997003929 726434510 /nfs/dbraw/zinc/43/45/10/726434510.db2.gz AWRQWDNAROWAMH-DZGCQCFKSA-N 2 0 337.468 -0.210 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC([NH2+]Cc3nc(=O)n(C)[nH]3)CC2)C1 ZINC000997006454 726434640 /nfs/dbraw/zinc/43/46/40/726434640.db2.gz MCHZCALVKYLPLN-GFCCVEGCSA-N 2 0 336.440 -0.469 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC000997010564 726434730 /nfs/dbraw/zinc/43/47/30/726434730.db2.gz SGTVCAXAQZMNEN-YPMHNXCESA-N 2 0 336.440 -0.613 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]CCN3CCNC3=O)CC2)C1 ZINC000997187951 726440477 /nfs/dbraw/zinc/44/04/77/726440477.db2.gz XVYGUEKTTPLHQQ-AWEZNQCLSA-N 2 0 337.468 -0.066 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2nnnn2C)CC1 ZINC000998080886 726475050 /nfs/dbraw/zinc/47/50/50/726475050.db2.gz FJOVUNKTFBNAFN-OCCSQVGLSA-N 2 0 335.456 -0.264 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(C[NH2+][C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC000998265363 726482868 /nfs/dbraw/zinc/48/28/68/726482868.db2.gz LRKSRAMUPZTNLG-UONOGXRCSA-N 2 0 336.436 -0.429 20 0 EBADRP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000998992916 726503880 /nfs/dbraw/zinc/50/38/80/726503880.db2.gz BJPKVYSXKDTOBT-WXRRBKDZSA-N 2 0 336.440 -0.328 20 0 EBADRP C[N@H+](CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC000999366735 726516695 /nfs/dbraw/zinc/51/66/95/726516695.db2.gz ZLFMBCDGZLFCRM-TZMCWYRMSA-N 2 0 336.436 -0.144 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CC([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000999406767 726518655 /nfs/dbraw/zinc/51/86/55/726518655.db2.gz QSMLSZIHRZZQAC-HIFPTAJRSA-N 2 0 336.440 -0.328 20 0 EBADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]CCN2CCNC2=O)C1 ZINC000999687028 726527777 /nfs/dbraw/zinc/52/77/77/726527777.db2.gz DJIWZABMIOQJDK-NFOMZHRRSA-N 2 0 337.468 -0.068 20 0 EBADRP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]CCN2C(=O)CCC2=O)C1 ZINC000999700548 726528570 /nfs/dbraw/zinc/52/85/70/726528570.db2.gz WSTBDVCPWYUNME-UHFFFAOYSA-N 2 0 348.447 -0.190 20 0 EBADRP COCC[N@@H+]1CC[C@H](n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001000037008 726552325 /nfs/dbraw/zinc/55/23/25/726552325.db2.gz XEIFLXKQKTYBDT-HNNXBMFYSA-N 2 0 348.451 -0.117 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCc2cn([C@@H]3CC[NH+](CCCO)C3)nn2)C1 ZINC001000043346 726552834 /nfs/dbraw/zinc/55/28/34/726552834.db2.gz KDNQYPGXQSAQPY-DZGCQCFKSA-N 2 0 336.440 -0.525 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001000922546 726583976 /nfs/dbraw/zinc/58/39/76/726583976.db2.gz BQSXPYNFCRSGLC-STQMWFEESA-N 2 0 337.424 -0.930 20 0 EBADRP O=C(C[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)N1CCOCC1 ZINC001000931097 726584182 /nfs/dbraw/zinc/58/41/82/726584182.db2.gz BEFQGWUVEKHISZ-HNNXBMFYSA-N 2 0 338.452 -0.478 20 0 EBADRP CCN1CCO[C@@H](C(=O)N2CCC[C@H](NCc3nncn3C)C2)C1 ZINC001000968468 726585520 /nfs/dbraw/zinc/58/55/20/726585520.db2.gz JSMQQCZBVHIZPI-UONOGXRCSA-N 2 0 336.440 -0.384 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2=CC[NH+](CCN3C(=O)CCC3=O)CC2)C1 ZINC001001446935 726606678 /nfs/dbraw/zinc/60/66/78/726606678.db2.gz YHSNLKNYNUAFLX-OAHLLOKOSA-N 2 0 348.447 -0.165 20 0 EBADRP CC[C@@H](C(N)=O)[NH+]1CCC(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001001532415 726610809 /nfs/dbraw/zinc/61/08/09/726610809.db2.gz MLQDRBDKJLIWIL-VHDGCEQUSA-N 2 0 340.468 -0.202 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)C1 ZINC001002119478 726633319 /nfs/dbraw/zinc/63/33/19/726633319.db2.gz AOVFEVBSNHXSEP-KGLIPLIRSA-N 2 0 336.436 -0.429 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001003629346 726682648 /nfs/dbraw/zinc/68/26/48/726682648.db2.gz 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MGAGOTHOJYKVNV-GJZGRUSLSA-N 2 0 338.452 -0.623 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001019775983 728989394 /nfs/dbraw/zinc/98/93/94/728989394.db2.gz PWAYSCGKRFTIEN-AWEZNQCLSA-N 2 0 344.481 -0.692 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001020028551 729058577 /nfs/dbraw/zinc/05/85/77/729058577.db2.gz CCBZVQWTWJYPED-XUXIUFHCSA-N 2 0 329.466 -0.248 20 0 EBADRP O=C(N[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001020161493 729088929 /nfs/dbraw/zinc/08/89/29/729088929.db2.gz FJPQGPKDRFWMER-KKUMJFAQSA-N 2 0 335.452 -0.410 20 0 EBADRP Cn1cnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020178802 729092393 /nfs/dbraw/zinc/09/23/93/729092393.db2.gz FOHJGRPKOJFZOF-AAVRWANBSA-N 2 0 334.424 -0.585 20 0 EBADRP O=C(C[NH2+][C@@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1)N1CCC1 ZINC001020178718 729092753 /nfs/dbraw/zinc/09/27/53/729092753.db2.gz BYCNGPRXJNXGAN-KBUPBQIOSA-N 2 0 336.436 -0.681 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001020214615 729102881 /nfs/dbraw/zinc/10/28/81/729102881.db2.gz YVHFOTPEVFZPNV-XUXIUFHCSA-N 2 0 336.436 -0.097 20 0 EBADRP O=C(N[C@H]1C[C@H]([NH2+]CCn2cccn2)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001020406969 729160539 /nfs/dbraw/zinc/16/05/39/729160539.db2.gz HWVQCEKBBYJYIP-DSZOFWSKSA-N 2 0 345.447 -0.017 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)nc1=O ZINC001020463444 729176709 /nfs/dbraw/zinc/17/67/09/729176709.db2.gz CULPRGMQDYMQHD-HAQNSBGRSA-N 2 0 336.440 -0.280 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001020590314 729205875 /nfs/dbraw/zinc/20/58/75/729205875.db2.gz SDDQTGNBUZYMOZ-AAVRWANBSA-N 2 0 336.436 -0.430 20 0 EBADRP O=C(N[C@H]1C[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)C12CC[NH+](CC1)C2 ZINC001020934625 729258217 /nfs/dbraw/zinc/25/82/17/729258217.db2.gz WMFFARSQQQIKBK-MGPQQGTHSA-N 2 0 341.477 -0.246 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)CCO1 ZINC001021044202 729274356 /nfs/dbraw/zinc/27/43/56/729274356.db2.gz JTKXHGFTNKVVAV-KBUPBQIOSA-N 2 0 338.452 -0.578 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)CCO1 ZINC001021044203 729274487 /nfs/dbraw/zinc/27/44/87/729274487.db2.gz JTKXHGFTNKVVAV-LXTVHRRPSA-N 2 0 338.452 -0.578 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001021049832 729275378 /nfs/dbraw/zinc/27/53/78/729275378.db2.gz VWDNMSPAUNILQI-XJFOESAGSA-N 2 0 329.466 -0.390 20 0 EBADRP Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001022118925 729457200 /nfs/dbraw/zinc/45/72/00/729457200.db2.gz ANKXNJKCSYTYBO-SFDCQRBFSA-N 2 0 334.424 -0.585 20 0 EBADRP Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)nn1 ZINC001022118929 729457228 /nfs/dbraw/zinc/45/72/28/729457228.db2.gz AOQGJODZBMLUEW-MYZSUADSSA-N 2 0 334.424 -0.585 20 0 EBADRP CCn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001022120835 729457701 /nfs/dbraw/zinc/45/77/01/729457701.db2.gz RPAFOOXSRSHXCD-FQLMCAECSA-N 2 0 348.451 -0.102 20 0 EBADRP CCn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022120837 729457784 /nfs/dbraw/zinc/45/77/84/729457784.db2.gz RPAFOOXSRSHXCD-HLPPOEQASA-N 2 0 348.451 -0.102 20 0 EBADRP Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001022121550 729458226 /nfs/dbraw/zinc/45/82/26/729458226.db2.gz FOHJGRPKOJFZOF-CRWXNKLISA-N 2 0 334.424 -0.585 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001022292610 729474339 /nfs/dbraw/zinc/47/43/39/729474339.db2.gz OQFPKUONELCHJZ-ZNMIVQPWSA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1)C(N)=O ZINC001022411638 729491905 /nfs/dbraw/zinc/49/19/05/729491905.db2.gz PPQSKXCYXYNDNT-UTUOFQBUSA-N 2 0 328.376 -0.009 20 0 EBADRP O=C(N[C@@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001022452615 729495683 /nfs/dbraw/zinc/49/56/83/729495683.db2.gz OZQRNBJXCHWRGH-DMEBWAFSSA-N 2 0 348.447 -0.635 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001022717470 729524225 /nfs/dbraw/zinc/52/42/25/729524225.db2.gz XYGBTQOUXPUXBI-FRRDWIJNSA-N 2 0 336.436 -0.240 20 0 EBADRP CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)c3cnn(CC[NH+](C)C)c3)C2)C1=O ZINC001022838726 729536679 /nfs/dbraw/zinc/53/66/79/729536679.db2.gz YIOGERCGOVIPKU-ZNMIVQPWSA-N 2 0 348.451 -0.474 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001022976861 729567982 /nfs/dbraw/zinc/56/79/82/729567982.db2.gz LMBJQNWDQZVOIO-RWMBFGLXSA-N 2 0 337.424 -0.883 20 0 EBADRP O=C(N[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1)C12CC[NH+](CC1)C2 ZINC001022981645 729569957 /nfs/dbraw/zinc/56/99/57/729569957.db2.gz YFMGPLZKTKMVEF-BETUJISGSA-N 2 0 346.435 -0.359 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001023084201 729598314 /nfs/dbraw/zinc/59/83/14/729598314.db2.gz KCLGKKWTNKIBLR-ZQDZILKHSA-N 2 0 343.493 0.000 20 0 EBADRP C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)CCC1 ZINC001023216517 729640726 /nfs/dbraw/zinc/64/07/26/729640726.db2.gz INTOVUGAPKPGMA-MGPQQGTHSA-N 2 0 338.452 -0.747 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](C[NH2+]Cc3nnnn3C)C2)C1 ZINC001024155978 729852740 /nfs/dbraw/zinc/85/27/40/729852740.db2.gz GBRURZPBWDGRFS-ZIAGYGMSSA-N 2 0 335.456 -0.120 20 0 EBADRP O=C(N1CCC[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001024239578 729864980 /nfs/dbraw/zinc/86/49/80/729864980.db2.gz XURYSICTPACAQZ-ZIAGYGMSSA-N 2 0 348.447 -0.284 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001024414100 729884057 /nfs/dbraw/zinc/88/40/57/729884057.db2.gz IHCRZEXZGYGTSI-QLFBSQMISA-N 2 0 338.452 -0.890 20 0 EBADRP CC1CC[NH+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cc3ncc[nH]3)C2)CC1 ZINC001025302351 730027923 /nfs/dbraw/zinc/02/79/23/730027923.db2.gz LWBOTPIVLCTUDN-ZIAGYGMSSA-N 2 0 349.435 -0.628 20 0 EBADRP O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@H]2CO1)N1CCC1 ZINC001025797859 730089804 /nfs/dbraw/zinc/08/98/04/730089804.db2.gz XROKGTSVQXJBLH-KSXIZUIISA-N 2 0 348.447 -0.872 20 0 EBADRP Cn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)cn1 ZINC001025798901 730090657 /nfs/dbraw/zinc/09/06/57/730090657.db2.gz ONHYIJLYGCMZBW-ZOFXXKQRSA-N 2 0 345.447 -0.170 20 0 EBADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908417 730104723 /nfs/dbraw/zinc/10/47/23/730104723.db2.gz JOEXZRLRDSDRQE-NAAYTTGZSA-N 2 0 348.447 -0.840 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCN(C)C4=O)C[C@H]32)CC[N@@H+]1C ZINC001025975581 730114014 /nfs/dbraw/zinc/11/40/14/730114014.db2.gz AJQQGSVWCQJNIX-YZXKGSGOSA-N 2 0 334.464 -0.006 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001026043224 730117579 /nfs/dbraw/zinc/11/75/79/730117579.db2.gz FPJQYTLBRXKMKI-IMSKVBIZSA-N 2 0 347.463 -0.368 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@H]21 ZINC001026044223 730117692 /nfs/dbraw/zinc/11/76/92/730117692.db2.gz MBFKPVMSTOYDHI-QVDCYYDOSA-N 2 0 334.464 -0.149 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001026140371 730124470 /nfs/dbraw/zinc/12/44/70/730124470.db2.gz KLQDUMVNIZODRU-CQUYNDQOSA-N 2 0 334.420 -0.820 20 0 EBADRP CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC[NH+](C)C2)C1=O ZINC001026140355 730124490 /nfs/dbraw/zinc/12/44/90/730124490.db2.gz IQFSNRLVQQQMPA-KDEOKCCVSA-N 2 0 334.464 -0.005 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@H]3C2)n1 ZINC001026270122 730134855 /nfs/dbraw/zinc/13/48/55/730134855.db2.gz XKVHYLDPSUTDMO-MELADBBJSA-N 2 0 348.451 -0.630 20 0 EBADRP Cn1nnnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001026419669 730144219 /nfs/dbraw/zinc/14/42/19/730144219.db2.gz BEEGHHSDHZFRGQ-BFHYXJOUSA-N 2 0 333.440 -0.368 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nc1=O ZINC001026846924 730162995 /nfs/dbraw/zinc/16/29/95/730162995.db2.gz FPSBHMLBTGEFGR-TZMCWYRMSA-N 2 0 348.451 -0.612 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001026847876 730163274 /nfs/dbraw/zinc/16/32/74/730163274.db2.gz RACHXMZQMJHBET-GXTWGEPZSA-N 2 0 333.440 -0.510 20 0 EBADRP C[N@H+](CC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC001026889101 730167313 /nfs/dbraw/zinc/16/73/13/730167313.db2.gz SJJGJGBFSMDEPK-GXTWGEPZSA-N 2 0 336.436 -0.286 20 0 EBADRP C[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001027035625 730184743 /nfs/dbraw/zinc/18/47/43/730184743.db2.gz HQWVIXYSIVYNTH-GXTWGEPZSA-N 2 0 336.436 -0.429 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027105479 730188506 /nfs/dbraw/zinc/18/85/06/730188506.db2.gz NBMHUHJOLGQXDB-CQSZACIVSA-N 2 0 335.456 -0.120 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H](C[NH2+][C@H]3CCNC3=O)C2)cn1 ZINC001027115688 730189394 /nfs/dbraw/zinc/18/93/94/730189394.db2.gz HTVAFAMEZQROKI-ZFWWWQNUSA-N 2 0 348.451 -0.615 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnc4n3CCOC4)C2)C1 ZINC001027216000 730199755 /nfs/dbraw/zinc/19/97/55/730199755.db2.gz PXOXGWMLLKVDAL-ZIAGYGMSSA-N 2 0 348.451 -0.302 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCN1C(=O)CCC1=O ZINC001027790698 730238904 /nfs/dbraw/zinc/23/89/04/730238904.db2.gz USUNNRUDDNUPLX-KBPBESRZSA-N 2 0 336.436 -0.190 20 0 EBADRP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001028547402 730312159 /nfs/dbraw/zinc/31/21/59/730312159.db2.gz SORLKHXSKPROGG-OLZOCXBDSA-N 2 0 336.440 -0.630 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)n1 ZINC001028547145 730312369 /nfs/dbraw/zinc/31/23/69/730312369.db2.gz MMZQTPPSVSRGPT-DZGCQCFKSA-N 2 0 348.451 -0.615 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028757175 730352206 /nfs/dbraw/zinc/35/22/06/730352206.db2.gz AVTFKUHTJPGOPC-UONOGXRCSA-N 2 0 326.441 -0.720 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)cn1 ZINC001028857285 730363357 /nfs/dbraw/zinc/36/33/57/730363357.db2.gz VJOCVGIXNZVLAU-DZGCQCFKSA-N 2 0 348.451 -0.615 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3[C@@H]2CCC(=O)NC2=O)C1 ZINC001029473370 730406884 /nfs/dbraw/zinc/40/68/84/730406884.db2.gz KWSBHOOXOVRWCG-BYNSBNAKSA-N 2 0 348.447 -0.191 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3[C@H]2CCC(=O)NC2=O)C1 ZINC001029473371 730406937 /nfs/dbraw/zinc/40/69/37/730406937.db2.gz KWSBHOOXOVRWCG-KBXIAJHMSA-N 2 0 348.447 -0.191 20 0 EBADRP O=C(NCC1C[NH+](CCN2CCNC2=O)C1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001031668955 730748117 /nfs/dbraw/zinc/74/81/17/730748117.db2.gz UCIWXUKYRMNDOX-JKSUJKDBSA-N 2 0 349.479 -0.066 20 0 EBADRP O=C(NCC1C[NH+](C[C@@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001032131781 730816767 /nfs/dbraw/zinc/81/67/67/730816767.db2.gz UYXNWZPZBQHMLC-OAHLLOKOSA-N 2 0 333.436 -0.612 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CN(C[C@@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001032186396 730823664 /nfs/dbraw/zinc/82/36/64/730823664.db2.gz PPZLROIABWYDHB-DZGCQCFKSA-N 2 0 343.493 -0.189 20 0 EBADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001033596399 731045708 /nfs/dbraw/zinc/04/57/08/731045708.db2.gz ZNDSHGXUPJEWGU-CYBMUJFWSA-N 2 0 349.435 -0.833 20 0 EBADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001034040465 731099598 /nfs/dbraw/zinc/09/95/98/731099598.db2.gz UDKZNZSFWVIQLI-CABCVRRESA-N 2 0 337.468 -0.114 20 0 EBADRP Cn1nnnc1C[NH2+][C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001034777388 731156068 /nfs/dbraw/zinc/15/60/68/731156068.db2.gz JSRHGNZVYLUNKY-JOCQHMNTSA-N 2 0 333.440 -0.177 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039760762 731524401 /nfs/dbraw/zinc/52/44/01/731524401.db2.gz SNEYINIZSYREIB-RHSMWYFYSA-N 2 0 340.468 -0.641 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001039763775 731526423 /nfs/dbraw/zinc/52/64/23/731526423.db2.gz KEPKQPMBSOPJMU-RHSMWYFYSA-N 2 0 338.452 -0.744 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001040101159 731599038 /nfs/dbraw/zinc/59/90/38/731599038.db2.gz TVPIGUYIJQYAOL-KRWDZBQOSA-N 2 0 342.484 -0.252 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001040105333 731601616 /nfs/dbraw/zinc/60/16/16/731601616.db2.gz YBNALLDVSJKPBZ-YOEHRIQHSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)CCC[NH+](C)C)C1)[NH+](C)C ZINC001040202971 731642140 /nfs/dbraw/zinc/64/21/40/731642140.db2.gz VNNKLMUMVAWGNW-PBHICJAKSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)C[N@H+](C)C(C)C)C1)[NH+](C)C ZINC001040360231 731713263 /nfs/dbraw/zinc/71/32/63/731713263.db2.gz UZIKSVKQLSDUTI-WMLDXEAASA-N 2 0 342.484 -0.254 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC001040494947 731758330 /nfs/dbraw/zinc/75/83/30/731758330.db2.gz GRZOOWWQTMAUDU-JJRVBVJISA-N 2 0 340.468 -0.500 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@@]1(O)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001040718110 731845982 /nfs/dbraw/zinc/84/59/82/731845982.db2.gz IUZZHTCJZCDUKT-KRWDZBQOSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040797127 731878447 /nfs/dbraw/zinc/87/84/47/731878447.db2.gz ARTQYNOGVGEHBU-KRWDZBQOSA-N 2 0 342.484 -0.250 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040800470 731880748 /nfs/dbraw/zinc/88/07/48/731880748.db2.gz GFPXQODTBGKZHH-MRXNPFEDSA-N 2 0 328.457 -0.642 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001040801269 731880933 /nfs/dbraw/zinc/88/09/33/731880933.db2.gz PAJYPZNNBKNNDP-PBHICJAKSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC001042098894 732310758 /nfs/dbraw/zinc/31/07/58/732310758.db2.gz YAXPYLSPPPXYPM-STQMWFEESA-N 2 0 326.441 -0.890 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001042103955 732315696 /nfs/dbraw/zinc/31/56/96/732315696.db2.gz KIGXUVYBTADRJZ-KGLIPLIRSA-N 2 0 338.452 -0.888 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001061595475 738635103 /nfs/dbraw/zinc/63/51/03/738635103.db2.gz JULSKCWQABAVTH-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001061595966 738635325 /nfs/dbraw/zinc/63/53/25/738635325.db2.gz RUUAQHCMDNGUJS-GJZGRUSLSA-N 2 0 340.468 -0.378 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061600350 738641055 /nfs/dbraw/zinc/64/10/55/738641055.db2.gz MIJPMKDZAKZUMF-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001043157830 732793811 /nfs/dbraw/zinc/79/38/11/732793811.db2.gz MBAQURDPIHSVTH-HNNXBMFYSA-N 2 0 342.484 -0.396 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)CCCC[NH+](C)C)C1 ZINC001043157639 732793937 /nfs/dbraw/zinc/79/39/37/732793937.db2.gz HZHGUJLTCDMKEB-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001043159868 732795740 /nfs/dbraw/zinc/79/57/40/732795740.db2.gz KNTKBHKHQNCJSB-UONOGXRCSA-N 2 0 340.468 -0.785 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001043159988 732796414 /nfs/dbraw/zinc/79/64/14/732796414.db2.gz PKQZSHPCBFZKLP-ZIAGYGMSSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001043160126 732796475 /nfs/dbraw/zinc/79/64/75/732796475.db2.gz WFOZDWVQHUOQOE-UHFFFAOYSA-N 2 0 328.457 -0.642 20 0 EBADRP C[NH+](C)C1(C(=O)NCC2(O)CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001043454969 732949290 /nfs/dbraw/zinc/94/92/90/732949290.db2.gz KRYUVPAVLGXGKV-ZDUSSCGKSA-N 2 0 338.452 -0.888 20 0 EBADRP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001043529831 732993876 /nfs/dbraw/zinc/99/38/76/732993876.db2.gz AQCQJNDUPGKSDM-UHFFFAOYSA-N 2 0 326.441 -0.888 20 0 EBADRP CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H](CC)[NH+](C)C)C1)[NH+](C)C ZINC001043677737 733055390 /nfs/dbraw/zinc/05/53/90/733055390.db2.gz LFNRPDBLTZAYQK-CHWSQXEVSA-N 2 0 328.457 -0.644 20 0 EBADRP CC[C@H](C(=O)NCC1(O)CN(C(=O)C[NH+](CC)CC)C1)[NH+](C)C ZINC001043678757 733055986 /nfs/dbraw/zinc/05/59/86/733055986.db2.gz UEDVCVGNRBBWFS-CYBMUJFWSA-N 2 0 328.457 -0.642 20 0 EBADRP CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1)[NH+](C)C ZINC001043681016 733057509 /nfs/dbraw/zinc/05/75/09/733057509.db2.gz IAHRZKCMOIJZSX-ZIAGYGMSSA-N 2 0 340.468 -0.500 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001044023322 733249946 /nfs/dbraw/zinc/24/99/46/733249946.db2.gz JFEHBTIALPVZSQ-UHFFFAOYSA-N 2 0 338.452 -0.887 20 0 EBADRP CC[C@@H](C(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1)[NH+](C)C ZINC001044043847 733259909 /nfs/dbraw/zinc/25/99/09/733259909.db2.gz FHOROFWHGNVRJI-ZDUSSCGKSA-N 2 0 328.457 -0.642 20 0 EBADRP CC[C@@H](C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1)[NH+](C)C ZINC001044044886 733261120 /nfs/dbraw/zinc/26/11/20/733261120.db2.gz UQDPZFDOWJWUHY-KBPBESRZSA-N 2 0 340.468 -0.642 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001044291296 733360762 /nfs/dbraw/zinc/36/07/62/733360762.db2.gz PVLCTNYQTDEPLN-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001044299301 733367163 /nfs/dbraw/zinc/36/71/63/733367163.db2.gz ZUJVEOVHWZXUEM-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC001044802039 733515138 /nfs/dbraw/zinc/51/51/38/733515138.db2.gz ZJFYZNJICHHLEJ-QWHCGFSZSA-N 2 0 326.441 -0.448 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CCC[C@H]2C[NH2+][C@@H]2CCNC2=O)n1 ZINC001045042402 733563939 /nfs/dbraw/zinc/56/39/39/733563939.db2.gz VVPRDAGVVTWMLL-UONOGXRCSA-N 2 0 348.451 -0.473 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CCC[C@H]2C[NH2+][C@@H]2CCNC2=O)cn1 ZINC001045236618 733631373 /nfs/dbraw/zinc/63/13/73/733631373.db2.gz OZTGXMMKTUVCMB-LSDHHAIUSA-N 2 0 348.451 -0.473 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001045392587 733684940 /nfs/dbraw/zinc/68/49/40/733684940.db2.gz YUEVQICPNGPRLB-UHFFFAOYSA-N 2 0 338.452 -0.887 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045417609 733691296 /nfs/dbraw/zinc/69/12/96/733691296.db2.gz JXKLFYLONSSJPX-ZIAGYGMSSA-N 2 0 340.468 -0.785 20 0 EBADRP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001045720733 733760095 /nfs/dbraw/zinc/76/00/95/733760095.db2.gz WRFSXSWNKCBFPS-CYBMUJFWSA-N 2 0 326.441 -0.888 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCN([C@@H]3CC[NH+](CCCO)C3)CC2)CC[N@@H+]1C ZINC001046033458 733818231 /nfs/dbraw/zinc/81/82/31/733818231.db2.gz WUVBXJXZZURNHH-BRWVUGGUSA-N 2 0 338.496 -0.073 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)CCCC[NH+](C)C)C1 ZINC001046525191 733953601 /nfs/dbraw/zinc/95/36/01/733953601.db2.gz HMGGNWPNFBMXGN-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046530947 733955176 /nfs/dbraw/zinc/95/51/76/733955176.db2.gz FFXKKOSOHJSHTN-ZIAGYGMSSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[C@H](C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1)[NH+](C)C ZINC001046676103 733997344 /nfs/dbraw/zinc/99/73/44/733997344.db2.gz BGVSHAJJOHEYJW-ZIAGYGMSSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[C@@H](C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1)[NH+](C)C ZINC001046676098 733997526 /nfs/dbraw/zinc/99/75/26/733997526.db2.gz BGVSHAJJOHEYJW-KBPBESRZSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001046684719 734003128 /nfs/dbraw/zinc/00/31/28/734003128.db2.gz LPBHKLCWRSMKKN-KGLIPLIRSA-N 2 0 340.468 -0.785 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)C1 ZINC001046692549 734007075 /nfs/dbraw/zinc/00/70/75/734007075.db2.gz WLUZZKQSXCBPSD-UONOGXRCSA-N 2 0 340.468 -0.786 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001061829515 738773671 /nfs/dbraw/zinc/77/36/71/738773671.db2.gz SHQJVOTYNUTPBB-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CCCO)C[C@@H]1O ZINC001047439850 734195915 /nfs/dbraw/zinc/19/59/15/734195915.db2.gz UMBMBBFUOFVLLD-JYJNAYRXSA-N 2 0 327.469 -0.007 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)C1CC[NH+](C)CC1 ZINC001061860728 738790557 /nfs/dbraw/zinc/79/05/57/738790557.db2.gz BIYNRKWCRDRWNE-HNNXBMFYSA-N 2 0 340.468 -0.377 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)N(C)[C@H]2C[N@H+](C[C@@H](C)O)C[C@@H]2O)CC1 ZINC001047583845 734267696 /nfs/dbraw/zinc/26/76/96/734267696.db2.gz LIHJCZVHJJNFEG-KBMXLJTQSA-N 2 0 327.469 -0.009 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001061862292 738791306 /nfs/dbraw/zinc/79/13/06/738791306.db2.gz RZYISQNTAAKUFI-CQSZACIVSA-N 2 0 328.457 -0.378 20 0 EBADRP Cc1nc[nH]c1CC(=O)N(C)[C@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001047611428 734280995 /nfs/dbraw/zinc/28/09/95/734280995.db2.gz DLFQUZANNDOTDB-GJZGRUSLSA-N 2 0 332.408 -0.339 20 0 EBADRP C[C@@H]([NH2+]Cc1nnnn1C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001047960517 734326326 /nfs/dbraw/zinc/32/63/26/734326326.db2.gz TVIGFJRVJBBFPL-OCCSQVGLSA-N 2 0 335.456 -0.122 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](C[C@@H](O)Cn3cccn3)C[C@@H]2C1 ZINC001048723706 734483739 /nfs/dbraw/zinc/48/37/39/734483739.db2.gz MWWYKJYHDJFVQE-YYIAUSFCSA-N 2 0 347.463 -0.272 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2C1 ZINC001048723604 734483799 /nfs/dbraw/zinc/48/37/99/734483799.db2.gz JTUZEOKNKSCEAR-ZNMIVQPWSA-N 2 0 335.452 -0.504 20 0 EBADRP O=C(C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C1)NC1CC1 ZINC001048823804 734525405 /nfs/dbraw/zinc/52/54/05/734525405.db2.gz KKMTZKSWACUABG-HLLBOEOZSA-N 2 0 346.475 -0.003 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+]([C@H]4CCCNC4=O)C[C@@H]3C2)CC[N@@H+]1C ZINC001048829771 734528377 /nfs/dbraw/zinc/52/83/77/734528377.db2.gz WRXWSEOGJIDKMR-LJIZCISZSA-N 2 0 334.464 -0.005 20 0 EBADRP CC[NH+](CC)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC001048880641 734555074 /nfs/dbraw/zinc/55/50/74/734555074.db2.gz JUCYUMAFPXRGBF-KKUMJFAQSA-N 2 0 340.468 -0.548 20 0 EBADRP C[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943415 734579385 /nfs/dbraw/zinc/57/93/85/734579385.db2.gz CHXURYLUVGNGAU-QCMHNIQVSA-N 2 0 348.447 -0.886 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+]([C@@H]4CCC(=O)NC4=O)C[C@@H]3C2)C1 ZINC001049058805 734629898 /nfs/dbraw/zinc/62/98/98/734629898.db2.gz IMMYIQIOGICOQR-APIJFGDWSA-N 2 0 348.447 -0.476 20 0 EBADRP C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001049173503 734675524 /nfs/dbraw/zinc/67/55/24/734675524.db2.gz BNFQHAJBQQGCEQ-KFWWJZLASA-N 2 0 334.464 -0.051 20 0 EBADRP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049215238 734687281 /nfs/dbraw/zinc/68/72/81/734687281.db2.gz PMQPIDUDHCRWAU-TUVASFSCSA-N 2 0 334.464 -0.005 20 0 EBADRP CCN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@H]3C2)C1=O ZINC001049214646 734687506 /nfs/dbraw/zinc/68/75/06/734687506.db2.gz QVFYLWSHAOSLIP-CAOSSQGBSA-N 2 0 334.464 -0.051 20 0 EBADRP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049215236 734687552 /nfs/dbraw/zinc/68/75/52/734687552.db2.gz PMQPIDUDHCRWAU-BARDWOONSA-N 2 0 334.464 -0.005 20 0 EBADRP COCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001049216135 734688045 /nfs/dbraw/zinc/68/80/45/734688045.db2.gz UXSHSMXRZSFVKD-HRCADAONSA-N 2 0 325.453 -0.009 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001049349529 734713568 /nfs/dbraw/zinc/71/35/68/734713568.db2.gz SZRGBRRNAAYIIG-GJZGRUSLSA-N 2 0 342.484 -0.302 20 0 EBADRP CN(C(=O)CC[NH+](C)C)[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1O ZINC001049436016 734729713 /nfs/dbraw/zinc/72/97/13/734729713.db2.gz YAXXFXQOACOXBH-GJZGRUSLSA-N 2 0 342.484 -0.300 20 0 EBADRP CC[N@H+](C)CCC(=O)N(C)[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001049542804 734750159 /nfs/dbraw/zinc/75/01/59/734750159.db2.gz QHYXBQVZOWNNRN-GJZGRUSLSA-N 2 0 340.468 -0.546 20 0 EBADRP CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1O)[NH+](C)C ZINC001049570480 734757176 /nfs/dbraw/zinc/75/71/76/734757176.db2.gz BWHPFNBUEJJHOL-AJNGGQMLSA-N 2 0 340.468 -0.549 20 0 EBADRP O=C(N1CCC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001050184444 734863869 /nfs/dbraw/zinc/86/38/69/734863869.db2.gz GEGPVTZKIAXWTH-SOUVJXGZSA-N 2 0 332.448 -0.107 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001050389445 734897118 /nfs/dbraw/zinc/89/71/18/734897118.db2.gz FLVMRRPLGNYJFV-MGPQQGTHSA-N 2 0 335.456 -0.074 20 0 EBADRP CNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001050521899 734917725 /nfs/dbraw/zinc/91/77/25/734917725.db2.gz VRQHUNPUVIAIRJ-HNNXBMFYSA-N 2 0 334.464 -0.001 20 0 EBADRP NC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)CC1 ZINC001050598549 734931640 /nfs/dbraw/zinc/93/16/40/734931640.db2.gz KVBSVDFMCPHAIV-FVRSWCFKSA-N 2 0 348.447 -0.741 20 0 EBADRP O=C(N1CC2(C1)CC[NH+]([C@@H]1CCNC1=O)CC2)C12CC[NH+](CC1)C2 ZINC001050732401 734951068 /nfs/dbraw/zinc/95/10/68/734951068.db2.gz UJVFWVITSYCSSI-CQSZACIVSA-N 2 0 332.448 -0.105 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC2(C1)CC[NH+](CC(N)=O)CC2 ZINC001050757698 734955192 /nfs/dbraw/zinc/95/51/92/734955192.db2.gz XEEXYIXCUYBWOQ-AWEZNQCLSA-N 2 0 338.452 -0.636 20 0 EBADRP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CCO2)nn1 ZINC001051493739 735196883 /nfs/dbraw/zinc/19/68/83/735196883.db2.gz QFIGINRYBHFMCR-CABCVRRESA-N 2 0 349.435 -0.104 20 0 EBADRP COc1cncc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CCO2)n1 ZINC001051493624 735196965 /nfs/dbraw/zinc/19/69/65/735196965.db2.gz OMLQQDNDWLBFLS-LSDHHAIUSA-N 2 0 349.435 -0.104 20 0 EBADRP COCC(=O)NCC[NH+]1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055494921 736356508 /nfs/dbraw/zinc/35/65/08/736356508.db2.gz AYMIAXHSJMHQKU-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP COCC(=O)NCC[NH+]1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001055494922 736356828 /nfs/dbraw/zinc/35/68/28/736356828.db2.gz AYMIAXHSJMHQKU-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP COCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001055495146 736357417 /nfs/dbraw/zinc/35/74/17/736357417.db2.gz JAGWDSILVUXDFG-MRXNPFEDSA-N 2 0 342.484 -0.084 20 0 EBADRP COCC(=O)NC1CC[NH+](CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001055578443 736391102 /nfs/dbraw/zinc/39/11/02/736391102.db2.gz OBTPSLMLHJVFTO-UHFFFAOYSA-N 2 0 326.441 -0.575 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH+]1CCC(NC(=O)COC)CC1 ZINC001055579589 736392432 /nfs/dbraw/zinc/39/24/32/736392432.db2.gz GZQCNKAPQRCVRQ-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)c2cccnn2)CC1 ZINC001055633530 736417625 /nfs/dbraw/zinc/41/76/25/736417625.db2.gz QVVFTOGSMMJFMU-UHFFFAOYSA-N 2 0 348.451 -0.261 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001055954784 736569492 /nfs/dbraw/zinc/56/94/92/736569492.db2.gz XIATVWFYQGSQRU-WMLDXEAASA-N 2 0 340.468 -0.641 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C1CC[NH+](C)CC1 ZINC001057211860 737083345 /nfs/dbraw/zinc/08/33/45/737083345.db2.gz FHKZHNZCGQMJSX-HNNXBMFYSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)CCCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001057212448 737085342 /nfs/dbraw/zinc/08/53/42/737085342.db2.gz NZFOENYGKXMLAK-HNNXBMFYSA-N 2 0 342.484 -0.250 20 0 EBADRP CC(C)[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)C ZINC001057212944 737086975 /nfs/dbraw/zinc/08/69/75/737086975.db2.gz ZRQJYBLNCPJMTB-LSDHHAIUSA-N 2 0 342.484 -0.396 20 0 EBADRP C[N@H+](CC(=O)NCCN(CCO)C(=O)[C@H]1CCC[NH+]1C)C1CCC1 ZINC001057213620 737088001 /nfs/dbraw/zinc/08/80/01/737088001.db2.gz LNDJPQIXKWSLDC-OAHLLOKOSA-N 2 0 340.468 -0.498 20 0 EBADRP CC(C)[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001057631660 737369750 /nfs/dbraw/zinc/36/97/50/737369750.db2.gz BZMYEBLFMTZCEV-GJZGRUSLSA-N 2 0 342.484 -0.539 20 0 EBADRP C[NH+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001057632228 737370520 /nfs/dbraw/zinc/37/05/20/737370520.db2.gz JZGINBLVYCFAMI-HUUCEWRRSA-N 2 0 340.468 -0.783 20 0 EBADRP CC(C)[C@@H](C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1)[NH+](C)C ZINC001057640443 737380417 /nfs/dbraw/zinc/38/04/17/737380417.db2.gz JCZSZGSLSCRTCM-INIZCTEOSA-N 2 0 342.484 -0.395 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057640569 737381152 /nfs/dbraw/zinc/38/11/52/737381152.db2.gz LHJKOSUVRUIPJL-CQSZACIVSA-N 2 0 326.441 -0.887 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057642472 737383756 /nfs/dbraw/zinc/38/37/56/737383756.db2.gz ODUUEEMTJAIJTF-UHFFFAOYSA-N 2 0 328.457 -0.641 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)C1 ZINC001057642831 737384627 /nfs/dbraw/zinc/38/46/27/737384627.db2.gz WNGRBDWYNYPRRT-HNNXBMFYSA-N 2 0 340.468 -0.639 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC001057741321 737428526 /nfs/dbraw/zinc/42/85/26/737428526.db2.gz PJWIJKCPRLAQNO-RBSFLKMASA-N 2 0 340.468 -0.785 20 0 EBADRP C[NH+](C)C1(C(=O)N(CCO)CCNC(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001057873733 737493010 /nfs/dbraw/zinc/49/30/10/737493010.db2.gz KCAZUMRPRDIDTN-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[C@@H](C(=O)NCCN(CCO)C(=O)C[N@H+](C)C1CCC1)[NH+](C)C ZINC001057903655 737522624 /nfs/dbraw/zinc/52/26/24/737522624.db2.gz SHIZKYBQLJBLHL-HNNXBMFYSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)C ZINC001057973951 737570170 /nfs/dbraw/zinc/57/01/70/737570170.db2.gz FJDCLZKRHOAHEE-KGLIPLIRSA-N 2 0 328.457 -0.642 20 0 EBADRP CC[C@H](C(=O)N(CCO)CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001057975054 737572112 /nfs/dbraw/zinc/57/21/12/737572112.db2.gz DFUJTEFFBDPVGC-LSDHHAIUSA-N 2 0 342.484 -0.395 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N(CCO)CCNC(=O)C[NH+]2CCCC2)C1 ZINC001058159359 737682612 /nfs/dbraw/zinc/68/26/12/737682612.db2.gz GKGJZEHFWDINIS-HNNXBMFYSA-N 2 0 340.468 -0.639 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001058162384 737686144 /nfs/dbraw/zinc/68/61/44/737686144.db2.gz WILDNNASTWCBAK-AWEZNQCLSA-N 2 0 338.452 -0.887 20 0 EBADRP CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC001058168814 737690868 /nfs/dbraw/zinc/69/08/68/737690868.db2.gz VZNHGYLOIPGQRG-LSDHHAIUSA-N 2 0 344.500 -0.150 20 0 EBADRP C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001058607889 737920399 /nfs/dbraw/zinc/92/03/99/737920399.db2.gz SEVUZWGLABJYCW-AWEZNQCLSA-N 2 0 328.457 -0.783 20 0 EBADRP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001058848299 738030196 /nfs/dbraw/zinc/03/01/96/738030196.db2.gz CPDZQCAKHLINEL-LSDHHAIUSA-N 2 0 342.484 -0.537 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)CCO1 ZINC001064978020 739455840 /nfs/dbraw/zinc/45/58/40/739455840.db2.gz MBPPWMFSADZXBQ-CABCVRRESA-N 2 0 340.468 -0.236 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001064978692 739457708 /nfs/dbraw/zinc/45/77/08/739457708.db2.gz XCJKYHZIYFCOLA-HUUCEWRRSA-N 2 0 338.452 -0.480 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001064978565 739458052 /nfs/dbraw/zinc/45/80/52/739458052.db2.gz VIIFHQOHJSUMJZ-ZIAGYGMSSA-N 2 0 326.441 -0.624 20 0 EBADRP C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001065571728 739768172 /nfs/dbraw/zinc/76/81/72/739768172.db2.gz ARYPIDHWHZRXMN-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065572553 739769068 /nfs/dbraw/zinc/76/90/68/739769068.db2.gz SNWPXPUUXLJZFW-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCOC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068406437 740315243 /nfs/dbraw/zinc/31/52/43/740315243.db2.gz TUAUSQUTMMXJRX-UHFFFAOYSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)CO2 ZINC001068764499 740439953 /nfs/dbraw/zinc/43/99/53/740439953.db2.gz RQPDJRDTVXBEIC-KBPBESRZSA-N 2 0 338.452 -0.482 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068902705 740486685 /nfs/dbraw/zinc/48/66/85/740486685.db2.gz STPCFCHQZLKZDE-CQSZACIVSA-N 2 0 340.468 -0.236 20 0 EBADRP CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](n2ccnn2)C1 ZINC001069983715 740646150 /nfs/dbraw/zinc/64/61/50/740646150.db2.gz IYRFMUOEHSSUBO-CLPSQLOGSA-N 2 0 346.435 -0.497 20 0 EBADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001070209287 740749686 /nfs/dbraw/zinc/74/96/86/740749686.db2.gz XBXAQNNYONEFTC-MCIONIFRSA-N 2 0 336.440 -0.515 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070212934 740751270 /nfs/dbraw/zinc/75/12/70/740751270.db2.gz YVNFGRFNQLXRDW-KFWWJZLASA-N 2 0 336.440 -0.514 20 0 EBADRP Cn1cncc1[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CC(N)=O ZINC001070655609 740911261 /nfs/dbraw/zinc/91/12/61/740911261.db2.gz VHRIZAKBHAJDJZ-CHWSQXEVSA-N 2 0 348.451 -0.726 20 0 EBADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1NC(=O)COCC[NH+](C)C ZINC001072135672 741316420 /nfs/dbraw/zinc/31/64/20/741316420.db2.gz LUECGZQUUPAXNK-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001072432738 741398293 /nfs/dbraw/zinc/39/82/93/741398293.db2.gz LNTNDBFPHIAHPH-LSDHHAIUSA-N 2 0 342.484 -0.131 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCN1CCNC1=O)C2 ZINC001072553691 741428823 /nfs/dbraw/zinc/42/88/23/741428823.db2.gz HJCPAOZMGPHNGQ-CQSZACIVSA-N 2 0 335.452 -0.360 20 0 EBADRP C[N@H+](CC(=O)N1CC2(C1)CC[NH+]([C@H]1CCC(=O)NC1=O)C2)C1CCC1 ZINC001072816027 741492718 /nfs/dbraw/zinc/49/27/18/741492718.db2.gz PBYZGFLGFNRNFS-AWEZNQCLSA-N 2 0 348.447 -0.190 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC3(C2)CC[NH+](CCN2CCNC2=O)C3)C1 ZINC001073128033 741566091 /nfs/dbraw/zinc/56/60/91/741566091.db2.gz OUPMMGUPVIEILP-HNNXBMFYSA-N 2 0 349.479 -0.112 20 0 EBADRP CC[C@@H](C(=O)N1CCC(O)(CNC(=O)CC[NH+](C)C)CC1)[NH+](C)C ZINC001074646801 742044482 /nfs/dbraw/zinc/04/44/82/742044482.db2.gz DHJXKNCVOVXADJ-AWEZNQCLSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC(O)(CNC(=O)CC[NH+](C)C)CC1 ZINC001074728223 742089912 /nfs/dbraw/zinc/08/99/12/742089912.db2.gz ARNMAYWMEKXBBL-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001075108695 742181289 /nfs/dbraw/zinc/18/12/89/742181289.db2.gz DDOPJPNIUPNBJB-XQQFMLRXSA-N 2 0 337.424 -0.931 20 0 EBADRP C[N@H+](CC(=O)N1CC[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@H]21)C1CCC1 ZINC001075887225 742320451 /nfs/dbraw/zinc/32/04/51/742320451.db2.gz BTJRONZIVZIXRK-AEGPPILISA-N 2 0 348.447 -0.191 20 0 EBADRP O=C(N1CC[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001076467437 742477589 /nfs/dbraw/zinc/47/75/89/742477589.db2.gz LGLRDIQUMDXPIN-SOUVJXGZSA-N 2 0 332.448 -0.107 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC001076569024 742498846 /nfs/dbraw/zinc/49/88/46/742498846.db2.gz GZFIAKQKKKACJI-MELADBBJSA-N 2 0 349.435 -0.977 20 0 EBADRP COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014192 742695619 /nfs/dbraw/zinc/69/56/19/742695619.db2.gz ICMAODJJXQWIAK-BPLDGKMQSA-N 2 0 339.440 -0.746 20 0 EBADRP C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001077444139 742979354 /nfs/dbraw/zinc/97/93/54/742979354.db2.gz MEDKOFBIFZJGQB-IAOVAPTHSA-N 2 0 335.448 -0.054 20 0 EBADRP Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001078005377 743408811 /nfs/dbraw/zinc/40/88/11/743408811.db2.gz BPCLQKUTXBTEJQ-FVQBIDKESA-N 2 0 335.452 -0.534 20 0 EBADRP C[C@@H](CCNC(=O)C1(C[NH+](C)C)CC1)NC(=O)COCC[NH+](C)C ZINC001078073243 743448639 /nfs/dbraw/zinc/44/86/39/743448639.db2.gz BKZHTEUQENOXAK-AWEZNQCLSA-N 2 0 342.484 -0.083 20 0 EBADRP C[N@H+](CC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCNC2=O)C1)C1CCC1 ZINC001078412359 743637290 /nfs/dbraw/zinc/63/72/90/743637290.db2.gz YRSYVWYEPTUYCP-CABCVRRESA-N 2 0 338.452 -0.434 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001078460214 743660703 /nfs/dbraw/zinc/66/07/03/743660703.db2.gz NTVZAQSPMUTCQA-CABCVRRESA-N 2 0 338.452 -0.576 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC000981193782 806104992 /nfs/dbraw/zinc/10/49/92/806104992.db2.gz GXUMCEPGWGKQQH-HUUCEWRRSA-N 2 0 337.468 -0.114 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+]([C@H]1CCC(=O)NC1=O)C2 ZINC000981666665 806229101 /nfs/dbraw/zinc/22/91/01/806229101.db2.gz YIYKSZBOPLTFRH-KBPBESRZSA-N 2 0 348.447 -0.190 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000982783271 806701144 /nfs/dbraw/zinc/70/11/44/806701144.db2.gz ROGUXVCGQMBBCU-HUUCEWRRSA-N 2 0 334.464 -0.001 20 0 EBADRP O=C1N[C@H](CO)C(=O)N1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000349376718 803769834 /nfs/dbraw/zinc/76/98/34/803769834.db2.gz ZAMDKDSLYHVEQE-CQSZACIVSA-N 2 0 333.392 -0.494 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)NC4CC4)C[C@H]32)CC[N@@H+]1C ZINC000978177637 804707353 /nfs/dbraw/zinc/70/73/53/804707353.db2.gz IFBRRNCDGMVSGR-BTAUDXDXSA-N 2 0 334.464 -0.101 20 0 EBADRP CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC000978318007 804789790 /nfs/dbraw/zinc/78/97/90/804789790.db2.gz FSQJRCCKVQSUKX-QKDCVEJESA-N 2 0 334.464 -0.098 20 0 EBADRP CN1CC[C@H]([N@H+]2C[C@@H]3[C@@H](CNC(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC000978661512 804909945 /nfs/dbraw/zinc/90/99/45/804909945.db2.gz BLBUONVPNAZHCF-JONQDZQNSA-N 2 0 334.464 -0.147 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)CC1 ZINC000978676733 804919404 /nfs/dbraw/zinc/91/94/04/804919404.db2.gz KJVOCDOXMZYFGY-PHZGNYQRSA-N 2 0 334.464 -0.146 20 0 EBADRP C[C@@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC000978847713 805007457 /nfs/dbraw/zinc/00/74/57/805007457.db2.gz MFNHNYXHKBEGBG-MIGQKNRLSA-N 2 0 335.452 -0.267 20 0 EBADRP O=C(N[C@@H]1C[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC000983690211 807082605 /nfs/dbraw/zinc/08/26/05/807082605.db2.gz ARJRABRGYHDCLG-MXAVVETBSA-N 2 0 348.447 -0.382 20 0 EBADRP O=C(N[C@@H]1C[C@@H](C[NH2+][C@H]2CCNC2=O)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000984357936 807266413 /nfs/dbraw/zinc/26/64/13/807266413.db2.gz OHRGXDNCJKSFJA-YGBQRXDESA-N 2 0 348.447 -0.778 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000985120211 807448972 /nfs/dbraw/zinc/44/89/72/807448972.db2.gz POONEMQFVWDNHH-KBUPBQIOSA-N 2 0 343.493 -0.143 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)C[NH+]1CCCC1 ZINC000987525592 807953668 /nfs/dbraw/zinc/95/36/68/807953668.db2.gz PFHNJGRLLILQJC-GJZGRUSLSA-N 2 0 338.452 -0.480 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCC[NH+](CCN3CCNC3=O)C2)C1 ZINC001009204085 810234395 /nfs/dbraw/zinc/23/43/95/810234395.db2.gz UCWMYKYYJPJSRS-LSDHHAIUSA-N 2 0 337.468 -0.066 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001214335945 810239352 /nfs/dbraw/zinc/23/93/52/810239352.db2.gz OKWLCILDJMGSMB-MGPQQGTHSA-N 2 0 331.482 -0.048 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423171 810327497 /nfs/dbraw/zinc/32/74/97/810327497.db2.gz AORYLIXODODMNB-FRRDWIJNSA-N 2 0 341.456 -0.391 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COCCOC)C1 ZINC001216001458 810354679 /nfs/dbraw/zinc/35/46/79/810354679.db2.gz CMOXCFJBGNGUIX-OWCLPIDISA-N 2 0 345.484 -0.211 20 0 EBADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001216098954 810358474 /nfs/dbraw/zinc/35/84/74/810358474.db2.gz BYWOMIHICLVHCY-VNHYZAJKSA-N 2 0 340.468 -0.332 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCNC(C)=O)C1 ZINC001216226547 810364526 /nfs/dbraw/zinc/36/45/26/810364526.db2.gz XEPIETZCUGJVJO-GDBMZVCRSA-N 2 0 342.484 -0.083 20 0 EBADRP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216400864 810370762 /nfs/dbraw/zinc/37/07/62/810370762.db2.gz BQZOWPATRHMPHF-UKRRQHHQSA-N 2 0 338.456 -0.187 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001216510840 810375555 /nfs/dbraw/zinc/37/55/55/810375555.db2.gz AFFOISLIUGBVMV-CHWSQXEVSA-N 2 0 334.486 -0.686 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001216510997 810375669 /nfs/dbraw/zinc/37/56/69/810375669.db2.gz IFJOFDFXJNESTB-CHWSQXEVSA-N 2 0 339.440 -0.684 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001216753969 810385522 /nfs/dbraw/zinc/38/55/22/810385522.db2.gz BXIAOPABRARVKZ-MGPQQGTHSA-N 2 0 346.435 -0.197 20 0 EBADRP O=C(N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001014451639 810433407 /nfs/dbraw/zinc/43/34/07/810433407.db2.gz AUXHUJKYDXDPBF-KBPBESRZSA-N 2 0 349.435 -0.930 20 0 EBADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1C[NH2+]CCOC1 ZINC001218042699 810472529 /nfs/dbraw/zinc/47/25/29/810472529.db2.gz UFMHWIWZNDNPSG-SECBINFHSA-N 2 0 340.380 -0.872 20 0 EBADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1CCC12C[NH2+]C2 ZINC001218239545 810484762 /nfs/dbraw/zinc/48/47/62/810484762.db2.gz HNLFBNPWEIUAGM-SECBINFHSA-N 2 0 336.392 -0.109 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1n[nH]c(-c2ccncc2)n1 ZINC001218521977 810497930 /nfs/dbraw/zinc/49/79/30/810497930.db2.gz DEZGEQSQNIFQKU-LBPRGKRZSA-N 2 0 330.396 -0.444 20 0 EBADRP Cn1nc(Br)cc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218583224 810507639 /nfs/dbraw/zinc/50/76/39/810507639.db2.gz OYXJMYXTLWFFMH-SECBINFHSA-N 2 0 345.245 -0.129 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1csc(N2CCOCC2)n1 ZINC001218620160 810512279 /nfs/dbraw/zinc/51/22/79/810512279.db2.gz FYKFDILRZYKFGJ-VIFPVBQESA-N 2 0 331.467 -0.063 20 0 EBADRP Nc1cn(C(=O)[C@H]([NH3+])CCC[NH3+])ccc1=[NH+]CCN1CCOCC1 ZINC001218621966 810512344 /nfs/dbraw/zinc/51/23/44/810512344.db2.gz PSUKLTXQWMGTAC-CYBMUJFWSA-N 3 0 336.440 -0.990 20 0 EBADRP [NH3+]Cc1cncc(NC(=O)[C@@H]([NH3+])CCCNC(=O)c2cnccn2)c1 ZINC001218703837 810522371 /nfs/dbraw/zinc/52/23/71/810522371.db2.gz IVCYDTXHQFOLBW-ZDUSSCGKSA-N 2 0 343.391 -0.194 20 0 EBADRP CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218730920 810525492 /nfs/dbraw/zinc/52/54/92/810525492.db2.gz GNENCFAVBLYMNX-RDBSUJKOSA-N 2 0 334.376 -0.088 20 0 EBADRP COC(=O)c1c[nH]c2ncnc(NC(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)c12 ZINC001218772161 810529237 /nfs/dbraw/zinc/52/92/37/810529237.db2.gz JUVIBJHGZJOFNQ-SECBINFHSA-N 2 0 330.348 -0.508 20 0 EBADRP C[C@@H](C[NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218778008 810530536 /nfs/dbraw/zinc/53/05/36/810530536.db2.gz GUWIKIRIFUJZNH-AEJSXWLSSA-N 2 0 342.831 -0.775 20 0 EBADRP Nc1ncn(C(=O)C2([NH3+])CC2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218779454 810530666 /nfs/dbraw/zinc/53/06/66/810530666.db2.gz NJABMYOBJMOBRJ-RKDXNWHRSA-N 2 0 340.815 -0.879 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC001218857210 810537511 /nfs/dbraw/zinc/53/75/11/810537511.db2.gz YYUIVUKSKUZPQN-GFCCVEGCSA-N 2 0 330.396 -0.444 20 0 EBADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@H]1C[NH2+]C[C@@H](O)C1 ZINC001218879380 810538256 /nfs/dbraw/zinc/53/82/56/810538256.db2.gz AVFJDAYWYVKMJX-OLZOCXBDSA-N 2 0 332.404 -0.359 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001015611402 810538383 /nfs/dbraw/zinc/53/83/83/810538383.db2.gz HXXWIHIDLPFXDU-SOUVJXGZSA-N 2 0 337.468 -0.068 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001218872960 810538512 /nfs/dbraw/zinc/53/85/12/810538512.db2.gz DUJDKBUDYXFXPI-MRXNPFEDSA-N 3 0 335.452 -0.194 20 0 EBADRP N[C@]1(C(=O)Nc2ccc(N3CC[NH+](CCO)CC3)cc2)CCC[NH2+]C1 ZINC001218874918 810538994 /nfs/dbraw/zinc/53/89/94/810538994.db2.gz ZVAGYSAUNBWUQI-GOSISDBHSA-N 2 0 347.463 -0.180 20 0 EBADRP [NH3+][C@@H](C(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001218882627 810540048 /nfs/dbraw/zinc/54/00/48/810540048.db2.gz XEYPXIWCCVZEPX-MRXNPFEDSA-N 3 0 345.447 -0.003 20 0 EBADRP [NH3+][C@@H](Cn1cccn1)C(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218880345 810540076 /nfs/dbraw/zinc/54/00/76/810540076.db2.gz WDVVKQZYDJLOOV-AWEZNQCLSA-N 2 0 342.403 -0.106 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@H]3CCCNC3=O)C[C@@H]21 ZINC001218919708 810546638 /nfs/dbraw/zinc/54/66/38/810546638.db2.gz XYBCQPAXUUKLLB-SOUVJXGZSA-N 2 0 338.452 -0.482 20 0 EBADRP CC[C@H](C[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1)OC ZINC001218970204 810550524 /nfs/dbraw/zinc/55/05/24/810550524.db2.gz GMCGPKSWFKOCFP-OWCLPIDISA-N 2 0 343.468 -0.099 20 0 EBADRP COC(=O)c1c(O)cccc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218987759 810552621 /nfs/dbraw/zinc/55/26/21/810552621.db2.gz NDFXVOGIPZJDTN-NSHDSACASA-N 2 0 336.392 -0.132 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+]([C@H]3CCCNC3=O)C[C@@H]21 ZINC001219006464 810553865 /nfs/dbraw/zinc/55/38/65/810553865.db2.gz JTPLTTWIMKSEQW-SOUVJXGZSA-N 2 0 338.452 -0.482 20 0 EBADRP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC001219349186 810667064 /nfs/dbraw/zinc/66/70/64/810667064.db2.gz FPZUIPVVORJLCT-FZMZJTMJSA-N 2 0 347.419 -0.462 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@H]1C[NH2+]CCN1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219500446 810722281 /nfs/dbraw/zinc/72/22/81/810722281.db2.gz BCQKAMQQPQVBGY-DYVFJYSZSA-N 2 0 345.403 -0.622 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@@H]1C[NH2+]CCO1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219501105 810723461 /nfs/dbraw/zinc/72/34/61/810723461.db2.gz PEKXKVKIPRZTLM-WMLDXEAASA-N 2 0 346.387 -0.195 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@@H]1C[C@H](O)C[NH2+]1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219501303 810723897 /nfs/dbraw/zinc/72/38/97/810723897.db2.gz TXXSHDTZLYWRRN-SIXIKZCJSA-N 2 0 346.387 -0.460 20 0 EBADRP COc1cc2c(cc1NC(=O)C[C@H]([NH3+])CO)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219500736 810724097 /nfs/dbraw/zinc/72/40/97/810724097.db2.gz HNRIRVDZIDLBCP-XXFAHNHDSA-N 2 0 334.376 -0.473 20 0 EBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2 ZINC001219538379 810742316 /nfs/dbraw/zinc/74/23/16/810742316.db2.gz YIALMNAFUAKQFS-CWSCBRNRSA-N 2 0 333.392 -0.151 20 0 EBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219610426 810769844 /nfs/dbraw/zinc/76/98/44/810769844.db2.gz NVJBVFWDJCXUEO-WPRPVWTQSA-N 2 0 328.360 -0.449 20 0 EBADRP O=C(N[C@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219609867 810769927 /nfs/dbraw/zinc/76/99/27/810769927.db2.gz GQRNDDLYGMDPQL-GZMMTYOYSA-N 2 0 341.355 -0.826 20 0 EBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)C1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001219621919 810775414 /nfs/dbraw/zinc/77/54/14/810775414.db2.gz JISKITLVYJMBLZ-IJEWVQPXSA-N 2 0 328.432 -0.761 20 0 EBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@H]1NC2=O ZINC001219638909 810783168 /nfs/dbraw/zinc/78/31/68/810783168.db2.gz RMUQONZBKMEJAJ-LWWSYDQCSA-N 2 0 332.379 -0.085 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219697273 810800086 /nfs/dbraw/zinc/80/00/86/810800086.db2.gz QKBPWIQNQHSGKX-KBPBESRZSA-N 2 0 342.484 -0.269 20 0 EBADRP [NH3+][C@H]1COC[C@H]1NC(=O)c1ccc(C(=O)NC2CC[NH2+]CC2)cc1 ZINC001219720400 810808060 /nfs/dbraw/zinc/80/80/60/810808060.db2.gz LMIRDQFCTYZDGW-LSDHHAIUSA-N 2 0 332.404 -0.376 20 0 EBADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)c1cccnc1O[C@@H]1CC[NH2+]C1 ZINC001219738973 810817619 /nfs/dbraw/zinc/81/76/19/810817619.db2.gz DCDNEEGKWBPBHX-CHWSQXEVSA-N 2 0 332.404 -0.069 20 0 EBADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001219736956 810817640 /nfs/dbraw/zinc/81/76/40/810817640.db2.gz LLCCZHKXOWDDBY-ZBFHGGJFSA-N 3 0 336.480 -0.055 20 0 EBADRP [NH3+][C@H]1CCCCN(CC(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)O2)C1=O ZINC001219743883 810819733 /nfs/dbraw/zinc/81/97/33/810819733.db2.gz ONEKNTCCMYZNEB-KBPBESRZSA-N 2 0 338.452 -0.256 20 0 EBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001219749001 810823193 /nfs/dbraw/zinc/82/31/93/810823193.db2.gz GUWRUWOSPRHQBQ-SUMWQHHRSA-N 2 0 348.451 -0.064 20 0 EBADRP [NH3+]C1(C(=O)NC[C@H]2C[C@H]3CNCC[N@@H+]3C2)CCC2(CC1)OCCO2 ZINC001219766296 810832038 /nfs/dbraw/zinc/83/20/38/810832038.db2.gz PFTQWNFTJBMSAP-KGLIPLIRSA-N 2 0 338.452 -0.589 20 0 EBADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)NC[C@H]2C[C@H]3CNCC[N@@H+]3C2)cc1 ZINC001219766315 810832205 /nfs/dbraw/zinc/83/22/05/810832205.db2.gz PLNZBDGEFXPCQU-KBMXLJTQSA-N 2 0 345.447 -0.935 20 0 EBADRP O=C(NC[C@@]1(F)CCC[NH2+]C1)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219768227 810832939 /nfs/dbraw/zinc/83/29/39/810832939.db2.gz LJBIPQZPOXRSOL-BXUZGUMPSA-N 2 0 337.403 -0.868 20 0 EBADRP O=C(NC[C@@]1(F)CCC[NH2+]C1)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219769406 810833062 /nfs/dbraw/zinc/83/30/62/810833062.db2.gz VYMCZUOZUZDISE-SWLSCSKDSA-N 2 0 336.415 -0.263 20 0 EBADRP O=C(NC[C@@]1(F)CCC[NH2+]C1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219767921 810833224 /nfs/dbraw/zinc/83/32/24/810833224.db2.gz HZBWQWBMDXYZRL-IUODEOHRSA-N 2 0 347.456 -0.391 20 0 EBADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)C1=NO[C@@]2(CC[NH2+]C2)C1 ZINC001219794442 810843743 /nfs/dbraw/zinc/84/37/43/810843743.db2.gz ZWVZNYUTMAKASK-KRWDZBQOSA-N 3 0 335.452 -0.173 20 0 EBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219799676 810848069 /nfs/dbraw/zinc/84/80/69/810848069.db2.gz AOVVYQPVXBXDCH-STQMWFEESA-N 2 0 326.441 -0.639 20 0 EBADRP Cn1nc2c(c1C(=O)NC1CC[NH+](C3CC[NH2+]CC3)CC1)CNC2 ZINC001219801337 810849220 /nfs/dbraw/zinc/84/92/20/810849220.db2.gz XXZKYUOCCIXRQN-UHFFFAOYSA-N 2 0 332.452 -0.031 20 0 EBADRP [NH3+][C@@H](CC(=O)OC1CCCCC1)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813424 810858734 /nfs/dbraw/zinc/85/87/34/810858734.db2.gz SYJQVIRQXSUOJH-JDFRZJQESA-N 2 0 339.436 -0.068 20 0 EBADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001219831612 810867476 /nfs/dbraw/zinc/86/74/76/810867476.db2.gz QPZSITQNYLHGRL-MRLBHPIUSA-N 2 0 336.436 -0.778 20 0 EBADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1 ZINC001219833196 810868534 /nfs/dbraw/zinc/86/85/34/810868534.db2.gz ADNMIJBNJIECCN-NBFUAULTSA-N 2 0 339.436 -0.735 20 0 EBADRP [NH3+][C@H](CC(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)Cc1ccncc1 ZINC001219833717 810868611 /nfs/dbraw/zinc/86/86/11/810868611.db2.gz HSYUGQCWILDIAJ-RYRKJORJSA-N 2 0 348.447 -0.147 20 0 EBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1cnc2n1CC[NH2+]CC2 ZINC001219844623 810875081 /nfs/dbraw/zinc/87/50/81/810875081.db2.gz OUAGXWKGZOCZRJ-DYVFJYSZSA-N 2 0 349.435 -0.846 20 0 EBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1n[nH]c2c1CC[NH2+]C2 ZINC001219843699 810875382 /nfs/dbraw/zinc/87/53/82/810875382.db2.gz BIUHUYBSHZWLBO-BZNIZROVSA-N 2 0 335.408 -0.820 20 0 EBADRP Cn1nc2c(c1C(=O)NC[C@@H]1CO[C@@]3(C1)C[NH2+]CCOC3)CNC2 ZINC001219848336 810878229 /nfs/dbraw/zinc/87/82/29/810878229.db2.gz XHYZYWGBXKOWIY-BZNIZROVSA-N 2 0 335.408 -0.852 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC[NH3+] ZINC001219872520 810889355 /nfs/dbraw/zinc/88/93/55/810889355.db2.gz JZXAKQJKQCDODP-GJZGRUSLSA-N 2 0 336.436 -0.132 20 0 EBADRP COC(=O)C1(NC(=O)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC[NH2+]CC1 ZINC001220001000 810941521 /nfs/dbraw/zinc/94/15/21/810941521.db2.gz CATIMAQQJSZVNB-GJZGRUSLSA-N 2 0 349.431 -0.281 20 0 EBADRP [NH3+]CC1(N(Cc2ccccc2)C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)COC1 ZINC001220020220 810950468 /nfs/dbraw/zinc/95/04/68/810950468.db2.gz AWQUJRUIPRPDDY-OAHLLOKOSA-N 3 0 330.432 -0.448 20 0 EBADRP [NH3+]CC1(N(Cc2ccccc2)C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)COC1 ZINC001220020569 810951274 /nfs/dbraw/zinc/95/12/74/810951274.db2.gz NGOBXWHSFSZVKI-VQIMIIECSA-N 3 0 344.459 -0.058 20 0 EBADRP CC(C)(C)OC(=O)C1(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CCC([NH3+])CC1 ZINC001220039515 810957162 /nfs/dbraw/zinc/95/71/62/810957162.db2.gz HZEPTDSQWNJWNJ-YZUGKSJVSA-N 2 0 327.425 -0.193 20 0 EBADRP COc1ccc2c(C[C@H]([NH3+])C(=O)NC3(C[NH3+])COC3)cc(=O)oc2c1 ZINC001220156716 811002879 /nfs/dbraw/zinc/00/28/79/811002879.db2.gz HMHXSCSYZOBNMM-ZDUSSCGKSA-N 2 0 347.371 -0.485 20 0 EBADRP O=C(N[C@H]1COCCC12OCCO2)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220172792 811005831 /nfs/dbraw/zinc/00/58/31/811005831.db2.gz BQFOAVSADVUKNX-OLZOCXBDSA-N 2 0 325.409 -0.491 20 0 EBADRP COc1cc(CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)ccc1OC1COC1 ZINC001220191375 811011126 /nfs/dbraw/zinc/01/11/26/811011126.db2.gz FWIVFXAHUUIMDN-CQSZACIVSA-N 2 0 347.415 -0.102 20 0 EBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N(CC[NH3+])c2cccnc2)COC1(C)C ZINC001220263309 811039349 /nfs/dbraw/zinc/03/93/49/811039349.db2.gz FXYHVPOGVPGYRL-AAEUAGOBSA-N 2 0 335.408 -0.316 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC001220270724 811040860 /nfs/dbraw/zinc/04/08/60/811040860.db2.gz DHCUTGSJMZEOBC-CQSZACIVSA-N 2 0 344.423 -0.767 20 0 EBADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001220317022 811053245 /nfs/dbraw/zinc/05/32/45/811053245.db2.gz UWIKBGOWRFCNIE-WOSRLPQWSA-N 2 0 336.436 -0.871 20 0 EBADRP CCOC(=O)C1(NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC[NH+](C)CC1 ZINC001220345791 811063934 /nfs/dbraw/zinc/06/39/34/811063934.db2.gz OQKXRIAXFFMDMP-LBPRGKRZSA-N 2 0 340.424 -0.920 20 0 EBADRP CCOC(=O)c1cccc(CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)n1 ZINC001220403610 811097220 /nfs/dbraw/zinc/09/72/20/811097220.db2.gz XCQCWWQSBXDDJR-AWEZNQCLSA-N 2 0 349.435 -0.375 20 0 EBADRP CCCn1c(NC(=O)[C@H]([NH3+])CCC[NH3+])cc(=O)n(CCC)c1=O ZINC001220424588 811102815 /nfs/dbraw/zinc/10/28/15/811102815.db2.gz LWQVKNMKZUXCSY-LLVKDONJSA-N 2 0 325.413 -0.165 20 0 EBADRP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1[NH2+]Cc1nnnn1C ZINC001036162936 811112360 /nfs/dbraw/zinc/11/23/60/811112360.db2.gz XNYYBAVRCXUZJR-GXTWGEPZSA-N 2 0 335.456 -0.122 20 0 EBADRP CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220479336 811122244 /nfs/dbraw/zinc/12/22/44/811122244.db2.gz HVFXFLYRNYGMGE-NEPJUHHUSA-N 2 0 327.425 -0.321 20 0 EBADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]([NH3+])C2CCC(O)CC2)O1 ZINC001220481328 811122375 /nfs/dbraw/zinc/12/23/75/811122375.db2.gz DFJCBIPYPOWIBF-FVRBTQDXSA-N 2 0 329.441 -0.294 20 0 EBADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)O1 ZINC001220481686 811123827 /nfs/dbraw/zinc/12/38/27/811123827.db2.gz NKKFVWQPCQCLAO-BSVVWIFFSA-N 2 0 327.425 -0.406 20 0 EBADRP COCCOCCOCCOCCNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220514977 811132551 /nfs/dbraw/zinc/13/25/51/811132551.db2.gz YFOSVNWFTSTHNN-AWEZNQCLSA-N 2 0 335.445 -0.745 20 0 EBADRP CN(CC[NH3+])CCNC(=O)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001220517411 811134003 /nfs/dbraw/zinc/13/40/03/811134003.db2.gz KKCBNUCJZGNUPX-CRAIPNDOSA-N 2 0 331.464 -0.281 20 0 EBADRP [NH3+]CCOCCOCCNC(=O)[C@@H]([NH3+])C1CCC2(CC1)OCCO2 ZINC001220519633 811136056 /nfs/dbraw/zinc/13/60/56/811136056.db2.gz VUECBHVGTVXMKG-AWEZNQCLSA-N 2 0 345.440 -0.645 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]CCN1CCNC1=O ZINC001036299763 811137013 /nfs/dbraw/zinc/13/70/13/811137013.db2.gz SCAKIRODCVELDR-HUUCEWRRSA-N 2 0 337.468 -0.066 20 0 EBADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COC)C[C@@H]1O ZINC001220568268 811157957 /nfs/dbraw/zinc/15/79/57/811157957.db2.gz DRBKXLGUSMMGLU-XHSDSOJGSA-N 2 0 345.484 -0.333 20 0 EBADRP [NH3+][C@@H](Cn1cccn1)C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220649444 811187751 /nfs/dbraw/zinc/18/77/51/811187751.db2.gz XSRZAHRNMFUGSG-HNNXBMFYSA-N 2 0 328.420 -0.064 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1ccccc1-n1cnnn1 ZINC001220670787 811196864 /nfs/dbraw/zinc/19/68/64/811196864.db2.gz ONRWXXGUZCABFK-AWEZNQCLSA-N 2 0 344.423 -0.971 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCN2CCCC2=O)C[C@@H]1O ZINC001220681238 811199193 /nfs/dbraw/zinc/19/91/93/811199193.db2.gz FGQIWBYKTCOLBT-CABCVRRESA-N 2 0 340.468 -0.498 20 0 EBADRP [NH3+]Cc1ncccc1NC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220711640 811214316 /nfs/dbraw/zinc/21/43/16/811214316.db2.gz QMEKVTKDWTWDBX-LLVKDONJSA-N 2 0 338.433 -0.107 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CC(N)=O)C2)n1 ZINC001036719729 811230025 /nfs/dbraw/zinc/23/00/25/811230025.db2.gz IRJWFPYWTFANNZ-UKRRQHHQSA-N 2 0 348.451 -0.534 20 0 EBADRP CC1(C)[C@@H](O)C[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220766063 811233278 /nfs/dbraw/zinc/23/32/78/811233278.db2.gz KZYGKTPPBRSVMR-XUXIUFHCSA-N 2 0 340.468 -0.291 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O ZINC001220768507 811234742 /nfs/dbraw/zinc/23/47/42/811234742.db2.gz PCUUSGRLLRXYHR-CABCVRRESA-N 2 0 329.441 -0.705 20 0 EBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220789052 811241572 /nfs/dbraw/zinc/24/15/72/811241572.db2.gz IYQVEOCWTSRZMV-DZKIICNBSA-N 2 0 331.420 -0.202 20 0 EBADRP CCOC(=O)C1(NC(=O)[C@H](NCc2ccccc2)C(C)(C)[NH3+])C[NH2+]C1 ZINC001220851398 811266051 /nfs/dbraw/zinc/26/60/51/811266051.db2.gz UZXKWFVOLFPLFW-AWEZNQCLSA-N 2 0 348.447 -0.097 20 0 EBADRP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])[C@@H](C)OCc2ccccc2)C[NH2+]C1 ZINC001220851074 811266316 /nfs/dbraw/zinc/26/63/16/811266316.db2.gz GMVJJVCABLYFEC-OCCSQVGLSA-N 2 0 335.404 -0.060 20 0 EBADRP CCOC(=O)C1(NC(=O)C[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)C[NH2+]C1 ZINC001220851396 811266672 /nfs/dbraw/zinc/26/66/72/811266672.db2.gz UYGRTRPJTNDPMS-SWLSCSKDSA-N 2 0 325.409 -0.444 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220886768 811282546 /nfs/dbraw/zinc/28/25/46/811282546.db2.gz MFVSXKJLYILFCA-RDBSUJKOSA-N 3 0 325.457 -0.698 20 0 EBADRP O=C(N[C@H]1CCC[NH2+]C1)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1 ZINC001220898479 811287702 /nfs/dbraw/zinc/28/77/02/811287702.db2.gz LEIRTFYHVCUNGQ-SMDDNHRTSA-N 2 0 330.392 -0.128 20 0 EBADRP O=C(NCCO[C@@H]1CC[NH2+]C1)c1csc(N2CC[NH2+]CC2)n1 ZINC001220937751 811301242 /nfs/dbraw/zinc/30/12/42/811301242.db2.gz ZIXCUTFRZHQGKZ-LLVKDONJSA-N 2 0 325.438 -0.339 20 0 EBADRP [NH3+][C@H]1CC[C@H](N(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c2ccncn2)CC1 ZINC001220941217 811304056 /nfs/dbraw/zinc/30/40/56/811304056.db2.gz NGXJAQQGSDIWBX-IHRRRGAJSA-N 3 0 330.436 -0.112 20 0 EBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001221056073 811355990 /nfs/dbraw/zinc/35/59/90/811355990.db2.gz DCKBTMSJYBHHRR-QBSOIHFESA-N 2 0 331.482 -0.158 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001037072358 811360237 /nfs/dbraw/zinc/36/02/37/811360237.db2.gz VKVANGFQTYSCMF-ZIAGYGMSSA-N 2 0 335.456 -0.074 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)C[NH+]2CCCC2)nc1=O ZINC001037127719 811371086 /nfs/dbraw/zinc/37/10/86/811371086.db2.gz XCKRMMSVZPAOKI-STQMWFEESA-N 2 0 336.440 -0.421 20 0 EBADRP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001221114380 811384124 /nfs/dbraw/zinc/38/41/24/811384124.db2.gz XNTDBLONVZJJTA-KDOFPFPSSA-N 2 0 329.448 -0.230 20 0 EBADRP CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221124178 811385422 /nfs/dbraw/zinc/38/54/22/811385422.db2.gz YUZUPIUOBOKYSB-GJZGRUSLSA-N 2 0 332.404 -0.072 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]([NH3+])CCC(=O)OC(C)(C)C ZINC001221190736 811412524 /nfs/dbraw/zinc/41/25/24/811412524.db2.gz ZVVJTUKMERYSIU-MNOVXSKESA-N 2 0 331.413 -0.168 20 0 EBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1 ZINC001221254406 811427702 /nfs/dbraw/zinc/42/77/02/811427702.db2.gz OGYLRJYTPNSTLH-QWHCGFSZSA-N 2 0 329.466 -0.531 20 0 EBADRP [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001221332107 811443784 /nfs/dbraw/zinc/44/37/84/811443784.db2.gz HXXNCPILMJIMKG-DLBZAZTESA-N 3 0 331.464 -0.351 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1ccc(-n2ccnn2)cc1 ZINC001221339557 811445030 /nfs/dbraw/zinc/44/50/30/811445030.db2.gz KMSHWTMWOGEINX-MRXNPFEDSA-N 2 0 343.435 -0.366 20 0 EBADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N1CCC(C2=CC=C(N)C[NH2+]2)CC1 ZINC001221391184 811448924 /nfs/dbraw/zinc/44/89/24/811448924.db2.gz CNQVCGHNOWQORV-GOEBONIOSA-N 2 0 334.420 -0.294 20 0 EBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)Cn1cnc2c1nc(N)[nH]c2=O ZINC001221391976 811449108 /nfs/dbraw/zinc/44/91/08/811449108.db2.gz QEXAVYIGOQKUPX-UHFFFAOYSA-N 2 0 349.399 -0.822 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1ccc2oc(=O)[nH]c2c1 ZINC001221387203 811449606 /nfs/dbraw/zinc/44/96/06/811449606.db2.gz ZMFSBTDHARMOQY-LBPRGKRZSA-N 2 0 333.392 -0.100 20 0 EBADRP COc1cccc([C@H](C[NH3+])NC(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)c1 ZINC001221406157 811450277 /nfs/dbraw/zinc/45/02/77/811450277.db2.gz ONGUFNLZBXCCDP-GJZGRUSLSA-N 2 0 346.431 -0.073 20 0 EBADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)CN(CC[NH3+])S(C)(=O)=O)[C@H](C)C1 ZINC001221409946 811452096 /nfs/dbraw/zinc/45/20/96/811452096.db2.gz VZROIPXFXYZYAU-CHWSQXEVSA-N 2 0 334.486 -0.558 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221413887 811452535 /nfs/dbraw/zinc/45/25/35/811452535.db2.gz MRCOKTFIELVMOI-ZFWWWQNUSA-N 2 0 340.468 -0.251 20 0 EBADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)[C@H](C)C1 ZINC001221408516 811452600 /nfs/dbraw/zinc/45/26/00/811452600.db2.gz JYTFNPCXDUEEAJ-KBMXLJTQSA-N 3 0 325.501 -0.028 20 0 EBADRP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CCNC4(CC[NH2+]CC4)C3)[C@@H](O)[C@@H]2O1 ZINC001222085776 811592923 /nfs/dbraw/zinc/59/29/23/811592923.db2.gz KNHGIFITCYNPIK-CRWXNKLISA-N 2 0 327.425 -0.749 20 0 EBADRP c1cc(N2CC[NH2+]CC2)ncc1CN1CCOC[C@@]2(C[NH2+]CCO2)C1 ZINC001222190444 811608905 /nfs/dbraw/zinc/60/89/05/811608905.db2.gz BOEOALBSUSPAGQ-GOSISDBHSA-N 2 0 347.463 -0.318 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001222612328 811647673 /nfs/dbraw/zinc/64/76/73/811647673.db2.gz BZRWGRITRJJRIY-GFCCVEGCSA-N 2 0 325.413 -0.896 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224346986 811758668 /nfs/dbraw/zinc/75/86/68/811758668.db2.gz VJTDXXYOQJGOLA-LBPRGKRZSA-N 2 0 341.456 -0.390 20 0 EBADRP CC(=O)NCCOCC[NH+]1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224347046 811758864 /nfs/dbraw/zinc/75/88/64/811758864.db2.gz WWDPXKDQXCUQLH-UHFFFAOYSA-N 2 0 342.484 -0.081 20 0 EBADRP C[NH+](C)CCC(=O)NCC1CC[NH+](CCN2CCNC2=O)CC1 ZINC001224346290 811758989 /nfs/dbraw/zinc/75/89/89/811758989.db2.gz FLXXOYTWCOOBII-UHFFFAOYSA-N 2 0 325.457 -0.209 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001224911734 811784269 /nfs/dbraw/zinc/78/42/69/811784269.db2.gz VPWXDDDHBKSPDQ-UHFFFAOYSA-N 2 0 327.429 -0.649 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC001225080124 811791675 /nfs/dbraw/zinc/79/16/75/811791675.db2.gz AAFRGZWSMJBJFL-UHFFFAOYSA-N 2 0 348.513 -0.294 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001225228478 811798963 /nfs/dbraw/zinc/79/89/63/811798963.db2.gz LKTACWAAWJCJBZ-UHFFFAOYSA-N 2 0 327.429 -0.649 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001225442481 811810606 /nfs/dbraw/zinc/81/06/06/811810606.db2.gz KXBAXLICFLDDLA-CYBMUJFWSA-N 2 0 326.441 -0.732 20 0 EBADRP C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O)C1CCC1 ZINC001226831057 811885653 /nfs/dbraw/zinc/88/56/53/811885653.db2.gz NCUUNVZEMGTMBM-CHWSQXEVSA-N 2 0 339.440 -0.317 20 0 EBADRP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CCC[NH+](C)C)nc1=O ZINC001228255189 811971596 /nfs/dbraw/zinc/97/15/96/811971596.db2.gz SWECEGGCEARQKR-CHWSQXEVSA-N 2 0 338.456 -0.033 20 0 EBADRP C[NH+](C)CCC(=O)NC1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001229007960 812009047 /nfs/dbraw/zinc/00/90/47/812009047.db2.gz HDCGUJVOSGSMFJ-UHFFFAOYSA-N 2 0 325.413 -0.930 20 0 EBADRP CC(C)[C@H](C(=O)NC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1)[NH+](C)C ZINC001229058038 812010646 /nfs/dbraw/zinc/01/06/46/812010646.db2.gz DOKAMPINGFNERS-UKRRQHHQSA-N 2 0 338.452 -0.042 20 0 EBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001229390077 812030467 /nfs/dbraw/zinc/03/04/67/812030467.db2.gz YBJWFMHHJMIHAE-ZIAGYGMSSA-N 2 0 326.441 -0.401 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)C1 ZINC001229693153 812049255 /nfs/dbraw/zinc/04/92/55/812049255.db2.gz NWRLHIVLJARVMN-JHJVBQTASA-N 2 0 339.440 -0.460 20 0 EBADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229717030 812050591 /nfs/dbraw/zinc/05/05/91/812050591.db2.gz NWQBTEBGDJSXQZ-BFHYXJOUSA-N 2 0 328.457 -0.284 20 0 EBADRP COC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229711050 812050819 /nfs/dbraw/zinc/05/08/19/812050819.db2.gz UNOAMGRKCVNQCH-RRFJBIMHSA-N 2 0 331.457 -0.411 20 0 EBADRP CCC[N@H+](C)CC(=O)NC1CC[NH+](C[C@@H](O)COCCOC)CC1 ZINC001230113024 812076954 /nfs/dbraw/zinc/07/69/54/812076954.db2.gz NIBQNDRGORLMFM-MRXNPFEDSA-N 2 0 345.484 -0.067 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001230284585 812097450 /nfs/dbraw/zinc/09/74/50/812097450.db2.gz MHQIEBRWDGFZAB-CHWSQXEVSA-N 2 0 341.456 -0.201 20 0 EBADRP CN(C[C@@H]1CC[N@@H+]1CCOCCO)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001234346516 812413033 /nfs/dbraw/zinc/41/30/33/812413033.db2.gz WQEQRNPXISOLJE-HOTGVXAUSA-N 2 0 325.453 -0.130 20 0 EBADRP NC(=O)[C@@H]1CN(Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)CC[NH2+]1 ZINC001235754871 812512728 /nfs/dbraw/zinc/51/27/28/812512728.db2.gz WGTVOYVSLASPDM-HNNXBMFYSA-N 2 0 343.435 -0.545 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])CCOC(=O)c1ccccc1 ZINC001236308953 812517133 /nfs/dbraw/zinc/51/71/33/812517133.db2.gz JUZGZJSIOAZSJS-UHFFFAOYSA-N 2 0 336.436 -0.041 20 0 EBADRP CC1(C)O[C@@H]2O[C@@H](C[NH+]3CCC(N4CC[C@H]([NH3+])C4)CC3)[C@@H](O)[C@@H]2O1 ZINC001236617665 812518755 /nfs/dbraw/zinc/51/87/55/812518755.db2.gz WVPGZIYMUPRKDL-SLZITWOASA-N 2 0 341.452 -0.279 20 0 EBADRP CCOC(=O)C[C@H](NS(=O)(=O)[C@@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC001238511560 812529247 /nfs/dbraw/zinc/52/92/47/812529247.db2.gz HPJLMMRCHIWMNN-OLZOCXBDSA-N 2 0 333.454 -0.411 20 0 EBADRP CCOC(=O)c1ccncc1S(=O)(=O)NCCC[NH2+]CCC[NH3+] ZINC001238879926 812534685 /nfs/dbraw/zinc/53/46/85/812534685.db2.gz YRYRETAUNKAFMS-UHFFFAOYSA-N 2 0 344.437 -0.135 20 0 EBADRP [NH3+]CCCC[C@H](NS(=O)(=O)[C@@H]1CC[NH2+]C1)C(=O)N1CCCC1 ZINC001238916949 812535540 /nfs/dbraw/zinc/53/55/40/812535540.db2.gz JJYNWNQYZIBYJW-OLZOCXBDSA-N 2 0 332.470 -0.612 20 0 EBADRP CCOC(=O)[C@@]12CN(S(=O)(=O)[C@H]3CC[NH2+]C3)C[C@@H]1CC[NH2+]CC2 ZINC001239062214 812539794 /nfs/dbraw/zinc/53/97/94/812539794.db2.gz FRPHJJIATDMDGM-YDHLFZDLSA-N 2 0 345.465 -0.457 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1S(=O)(=O)C1CC[NH2+]CC1 ZINC001239063586 812539982 /nfs/dbraw/zinc/53/99/82/812539982.db2.gz VLFDPXIDKNFCHP-WCFLWFBJSA-N 2 0 331.438 -0.706 20 0 EBADRP CC[N@@H+]1CCO[C@@H]2CN(S(=O)(=O)CC3CC[NH2+]CC3)C[C@@H]2C1 ZINC001239080635 812542671 /nfs/dbraw/zinc/54/26/71/812542671.db2.gz BZVLMWAOIOFBJA-LSDHHAIUSA-N 2 0 331.482 -0.032 20 0 EBADRP CCOC(=O)[C@]12CN(S(=O)(=O)C3CC[NH2+]CC3)C[C@H]1C[NH2+]CC2 ZINC001239110447 812545258 /nfs/dbraw/zinc/54/52/58/812545258.db2.gz GXCFZHQABRWIMO-IUODEOHRSA-N 2 0 345.465 -0.457 20 0 EBADRP CC(C)(C)OC(=O)[C@H](CCC[NH3+])NC[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001245981811 812557353 /nfs/dbraw/zinc/55/73/53/812557353.db2.gz BXRARIIKEHMZIU-KBPBESRZSA-N 2 0 345.484 -0.109 20 0 EBADRP O[C@H](C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)O1)CC1(O)CC[NH2+]CC1 ZINC001245988254 812558327 /nfs/dbraw/zinc/55/83/27/812558327.db2.gz UZFXNKSBCXKFGM-LSDHHAIUSA-N 3 0 327.469 -0.257 20 0 EBADRP O[C@@H](C[NH2+]C1CCN(C2CC[NH2+]CC2)CC1)CC1(O)CC[NH2+]CC1 ZINC001245986672 812558463 /nfs/dbraw/zinc/55/84/63/812558463.db2.gz XAPCQGTXDJJZTG-QGZVFWFLSA-N 3 0 340.512 -0.342 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CNCc1nnn2c1C[NH2+]CCC2 ZINC001245987966 812558771 /nfs/dbraw/zinc/55/87/71/812558771.db2.gz SRWVTVGIDBNSFB-WMLDXEAASA-N 2 0 330.436 -0.208 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC001246025235 812559817 /nfs/dbraw/zinc/55/98/17/812559817.db2.gz GUPWKLCUHAXABD-KSZLIROESA-N 2 0 335.448 -0.392 20 0 EBADRP O[C@@H](C[N@@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3)CC1(O)CC[NH2+]CC1 ZINC001246038040 812561353 /nfs/dbraw/zinc/56/13/53/812561353.db2.gz UINREDYBLUGPLG-KCYZZUKISA-N 3 0 325.453 -0.695 20 0 EBADRP COCCC[N@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001246044024 812561437 /nfs/dbraw/zinc/56/14/37/812561437.db2.gz FCBOOPPJVGMKNQ-INIZCTEOSA-N 3 0 329.485 -0.058 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C[C@H](O)CC1(O)CC[NH2+]CC1)CC2 ZINC001246055733 812562162 /nfs/dbraw/zinc/56/21/62/812562162.db2.gz DYTJCVRNRBAYMS-CPUCHLNUSA-N 2 0 341.452 -0.921 20 0 EBADRP O=C([C@@H]1C[C@@H](NC[C@@]2(O)CCCC[NH2+]C2)C[NH2+]1)N1CCSC1 ZINC001246098214 812564451 /nfs/dbraw/zinc/56/44/51/812564451.db2.gz QAGZNPDEJVTNKK-VNHYZAJKSA-N 2 0 328.482 -0.656 20 0 EBADRP O=C([C@@H]1C[C@H]([NH2+]C[C@@H]2CC3(C[NH2+]C3)CO2)CN1)N1CCSC1 ZINC001246125493 812565162 /nfs/dbraw/zinc/56/51/62/812565162.db2.gz IGALQCHUDSOBFH-AVGNSLFASA-N 2 0 326.466 -0.782 20 0 EBADRP O=C([C@@H]1C[C@H](NCc2noc3c2C[NH2+]CC3)C[NH2+]1)N1CCSC1 ZINC001246131912 812565860 /nfs/dbraw/zinc/56/58/60/812565860.db2.gz BJMGVLFHGVBBKP-JQWIXIFHSA-N 2 0 337.449 -0.327 20 0 EBADRP O=C([C@@H]1C[C@@H]([NH2+]C[C@@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CN1)N1CCSC1 ZINC001246145380 812566003 /nfs/dbraw/zinc/56/60/03/812566003.db2.gz WGOIUPCIIBCATO-AICCOOGYSA-N 2 0 340.493 -0.536 20 0 EBADRP O=C([C@@H]1C[C@H](NC[C@@H]2CC3(CC[NH2+]CC3)O2)C[NH2+]1)N1CCSC1 ZINC001246132698 812566209 /nfs/dbraw/zinc/56/62/09/812566209.db2.gz NANLDDJSJVPRBJ-IHRRRGAJSA-N 2 0 340.493 -0.250 20 0 EBADRP C[C@@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCC[NH3+])CC[NH2+]1 ZINC001246210799 812568060 /nfs/dbraw/zinc/56/80/60/812568060.db2.gz KOFPPRVUNORWPX-CVEARBPZSA-N 3 0 333.473 -0.258 20 0 EBADRP C[C@@H]1C[C@H]([NH2+]CCOCCOCCOCCOCC[NH3+])CC[NH2+]1 ZINC001246210805 812568076 /nfs/dbraw/zinc/56/80/76/812568076.db2.gz KOFPPRVUNORWPX-HZPDHXFCSA-N 3 0 333.473 -0.258 20 0 EBADRP C[C@H]1C[C@H](n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)CC[NH2+]1 ZINC001246483991 812573873 /nfs/dbraw/zinc/57/38/73/812573873.db2.gz WSGIVRQOGTZCAT-NEBZKDRISA-N 2 0 348.451 -0.458 20 0 EBADRP C[C@@H]1C[C@H](n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)CC[NH2+]1 ZINC001246483992 812573937 /nfs/dbraw/zinc/57/39/37/812573937.db2.gz WSGIVRQOGTZCAT-UXOAXIEHSA-N 2 0 348.451 -0.458 20 0 EBADRP C[C@@H]1CC[C@H](n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)C[NH2+]1 ZINC001246482279 812574069 /nfs/dbraw/zinc/57/40/69/812574069.db2.gz MYMPBXWOONWQNH-DHMWGJHJSA-N 2 0 348.451 -0.458 20 0 EBADRP COC(=O)[C@H](CCCC[NH2+]C1CC[NH2+]CC1)NC(=O)CNC(C)=O ZINC001246517400 812574794 /nfs/dbraw/zinc/57/47/94/812574794.db2.gz BWQWWNFKMXHTFG-AWEZNQCLSA-N 2 0 342.440 -0.708 20 0 EBADRP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246675339 812580950 /nfs/dbraw/zinc/58/09/50/812580950.db2.gz WMBGPHYWUFKYTA-VAVSNJLASA-N 3 0 334.464 -0.589 20 0 EBADRP Cn1cc(C[C@@H]2[NH2+]CC[C@H]2N([C@H]2CCC[NH2+]C2)S(C)(=O)=O)cn1 ZINC001246696047 812582005 /nfs/dbraw/zinc/58/20/05/812582005.db2.gz PFWVYJCXWDRDFA-SOUVJXGZSA-N 2 0 341.481 -0.293 20 0 EBADRP CS(=O)(=O)N(Cc1ncn2c1C[NH2+]CCC2)[C@@H]1CCC[NH2+]C1 ZINC001246696428 812582284 /nfs/dbraw/zinc/58/22/84/812582284.db2.gz QWYMVIBUBWYALW-GFCCVEGCSA-N 2 0 327.454 -0.110 20 0 EBADRP Cn1cc(N2CC[C@@]3(CC[N@@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)C3)C2=O)cn1 ZINC001246720068 812583164 /nfs/dbraw/zinc/58/31/64/812583164.db2.gz LNUNAPZLCORDGT-RHSMWYFYSA-N 2 0 344.463 -0.057 20 0 EBADRP COC(=O)[C@@H]1C[C@H](C(=O)OC)C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246823132 812588713 /nfs/dbraw/zinc/58/87/13/812588713.db2.gz NLJNEUFGCNZSLI-XQQFMLRXSA-N 2 0 325.409 -0.636 20 0 EBADRP CN1CCN(C(=O)C2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)CC1 ZINC001246805610 812589524 /nfs/dbraw/zinc/58/95/24/812589524.db2.gz KKJQLPYYGSORQT-MRXNPFEDSA-N 2 0 335.496 -0.434 20 0 EBADRP O=C([C@@H]1C[C@H](N(C2COC2)C2CC[NH2+]CC2)C[NH2+]1)N1CCSC1 ZINC001246843623 812590068 /nfs/dbraw/zinc/59/00/68/812590068.db2.gz GPNLOJZCAUFIQF-ZFWWWQNUSA-N 2 0 340.493 -0.297 20 0 EBADRP COC(=O)[C@@H]1CN(C2C[C@H]3CC(C(=O)OC)C[C@@H](C2)[NH2+]3)C[C@@H]1[NH3+] ZINC001246935085 812593240 /nfs/dbraw/zinc/59/32/40/812593240.db2.gz XWTDPSHRMJRZTP-RXFXENDJSA-N 2 0 325.409 -0.509 20 0 EBADRP O=C(N[C@H]1CCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1)N1CCOCC1 ZINC001246966066 812594984 /nfs/dbraw/zinc/59/49/84/812594984.db2.gz VOBMZYJLRBMTLH-LSDHHAIUSA-N 2 0 337.468 -0.413 20 0 EBADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@H]1CCC12CC[NH2+]CC2)O3 ZINC001247010072 812595406 /nfs/dbraw/zinc/59/54/06/812595406.db2.gz MNYYVJUIVRMIKX-OSFYFWSMSA-N 2 0 327.450 -0.337 20 0 EBADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@H]1CCC[C@@]12CC[NH2+]C2)O3 ZINC001247012958 812595456 /nfs/dbraw/zinc/59/54/56/812595456.db2.gz VJJFWGFQONCRJJ-QTVXIADOSA-N 2 0 327.450 -0.337 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001261633121 812954831 /nfs/dbraw/zinc/95/48/31/812954831.db2.gz WZFTVBSIEMTVAA-UONOGXRCSA-N 2 0 326.441 -0.712 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC001262034579 813029913 /nfs/dbraw/zinc/02/99/13/813029913.db2.gz JAKVEJHLUNKNRQ-QLFBSQMISA-N 2 0 339.484 -0.676 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081498716 813072081 /nfs/dbraw/zinc/07/20/81/813072081.db2.gz DOQUTNNRTBAWFR-GJZGRUSLSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001081505313 813093046 /nfs/dbraw/zinc/09/30/46/813093046.db2.gz DOIJZEYECWUQKC-HUUCEWRRSA-N 2 0 342.484 -0.395 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001081506650 813099591 /nfs/dbraw/zinc/09/95/91/813099591.db2.gz VGAUMWDOBPWOQL-HUUCEWRRSA-N 2 0 342.484 -0.395 20 0 EBADRP CC(=O)NCCOCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001264173110 813161125 /nfs/dbraw/zinc/16/11/25/813161125.db2.gz XWNWBEFTSUYELF-KBMXLJTQSA-N 2 0 340.468 -0.330 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081553711 813168163 /nfs/dbraw/zinc/16/81/63/813168163.db2.gz MIWJKVAFMNFKHR-ZIAGYGMSSA-N 2 0 328.457 -0.786 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001265001521 813215673 /nfs/dbraw/zinc/21/56/73/813215673.db2.gz ZRVLXMKCMUVHQQ-QWHCGFSZSA-N 2 0 341.456 -0.247 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NCCC[NH+](C)CCNS(C)(=O)=O)CC[N@@H+]1C ZINC001265026977 813223343 /nfs/dbraw/zinc/22/33/43/813223343.db2.gz BEMGMQHHFYJZMX-KBPBESRZSA-N 2 0 348.513 -0.296 20 0 EBADRP CC(=O)NCCOCC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001265288057 813291431 /nfs/dbraw/zinc/29/14/31/813291431.db2.gz NBUASJQKBKTROA-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CCN1C(=O)CCC1=O)C1CC1 ZINC001265349738 813309631 /nfs/dbraw/zinc/30/96/31/813309631.db2.gz HCVHYQFHABQVIP-UONOGXRCSA-N 2 0 336.436 -0.286 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001265430916 813322636 /nfs/dbraw/zinc/32/26/36/813322636.db2.gz NKOQZGPGZIQBIW-VNQPRFMTSA-N 2 0 340.468 -0.330 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCS(=O)(=O)N(C)C)C1)[NH+](C)C ZINC001265454648 813327368 /nfs/dbraw/zinc/32/73/68/813327368.db2.gz YBOHAJBJHBUKQF-KBPBESRZSA-N 2 0 348.513 -0.201 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001265508230 813334017 /nfs/dbraw/zinc/33/40/17/813334017.db2.gz AEQVGOGXBNAFLJ-AAVRWANBSA-N 2 0 346.497 -0.355 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081636134 813344425 /nfs/dbraw/zinc/34/44/25/813344425.db2.gz ZLKQJXDYMXARGC-ZIAGYGMSSA-N 2 0 328.457 -0.785 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001265635299 813352056 /nfs/dbraw/zinc/35/20/56/813352056.db2.gz ULNTUGOGZBQHNI-UONOGXRCSA-N 2 0 331.482 -0.189 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CCN1C(=O)CCC1=O)[NH+](C)C ZINC001265789049 813371227 /nfs/dbraw/zinc/37/12/27/813371227.db2.gz YREZSGAJDAHSFO-WFASDCNBSA-N 2 0 326.441 -0.184 20 0 EBADRP CO[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001081686380 813403333 /nfs/dbraw/zinc/40/33/33/813403333.db2.gz SHVHVMDQQVIMTD-BPLDGKMQSA-N 2 0 339.440 -0.746 20 0 EBADRP C[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)CCN1C(=O)CNC1=O ZINC001265954977 813426111 /nfs/dbraw/zinc/42/61/11/813426111.db2.gz ZEYGTAMKFOCFCZ-CYBMUJFWSA-N 2 0 339.440 -0.682 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081703094 813442376 /nfs/dbraw/zinc/44/23/76/813442376.db2.gz LSQVFSWUKZITFN-ZIAGYGMSSA-N 2 0 328.457 -0.785 20 0 EBADRP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CCN1C(=O)CNC1=O ZINC001266108838 813458978 /nfs/dbraw/zinc/45/89/78/813458978.db2.gz HZIISSXGVSWSHG-CYBMUJFWSA-N 2 0 339.440 -0.682 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081733121 813489007 /nfs/dbraw/zinc/48/90/07/813489007.db2.gz PICBLOUVCJFBMI-KGLIPLIRSA-N 2 0 342.484 -0.396 20 0 EBADRP Cn1ccc(CN2CC[NH+](CCCNC(=O)CC[NH+](C)C)CC2)n1 ZINC001266271214 813502501 /nfs/dbraw/zinc/50/25/01/813502501.db2.gz JBGABRFXHVJEIK-UHFFFAOYSA-N 2 0 336.484 -0.004 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001081773436 813537489 /nfs/dbraw/zinc/53/74/89/813537489.db2.gz BEPAJEMXCZOQGQ-GJZGRUSLSA-N 2 0 342.484 -0.395 20 0 EBADRP COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001266559828 813609577 /nfs/dbraw/zinc/60/95/77/813609577.db2.gz OPWUITVHUBQRKF-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCN1C(=O)CNC1=O)C1CC1 ZINC001266585924 813615654 /nfs/dbraw/zinc/61/56/54/813615654.db2.gz GXKRHKBOWPUHPE-ZDUSSCGKSA-N 2 0 337.424 -0.787 20 0 EBADRP CN(CC[NH2+]CCNS(C)(=O)=O)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001266741555 813657489 /nfs/dbraw/zinc/65/74/89/813657489.db2.gz YIGOBBGIXWXDJJ-KBPBESRZSA-N 2 0 346.497 -0.400 20 0 EBADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCCN1C(=O)CNC1=O ZINC001266926550 813702010 /nfs/dbraw/zinc/70/20/10/813702010.db2.gz BBMUNCLHYMWCOG-RYUDHWBXSA-N 2 0 325.413 -0.883 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCN1C(=O)CNC1=O ZINC001266926549 813702477 /nfs/dbraw/zinc/70/24/77/813702477.db2.gz BBMUNCLHYMWCOG-NWDGAFQWSA-N 2 0 325.413 -0.883 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H](C(=O)NCC[NH2+]CCO)C2)C1 ZINC001267002646 813730279 /nfs/dbraw/zinc/73/02/79/813730279.db2.gz QIYSALSOFWBTGB-HUUCEWRRSA-N 2 0 340.468 -0.735 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CC[C@H]([NH2+]CCCS(C)(=O)=O)C2)CC1 ZINC001267016618 813736135 /nfs/dbraw/zinc/73/61/35/813736135.db2.gz YNBDLYTUPXPKHG-ZDUSSCGKSA-N 2 0 331.482 -0.047 20 0 EBADRP CN(CC[NH2+]C[C@@H](O)COC1CCOCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267468627 813906366 /nfs/dbraw/zinc/90/63/66/813906366.db2.gz AGVHSASISGSCIL-HUUCEWRRSA-N 2 0 343.468 -0.457 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CC[NH2+]CC(=O)N1CCCC1 ZINC001267470340 813907467 /nfs/dbraw/zinc/90/74/67/813907467.db2.gz ZWSPDNWBRJIGJC-HNNXBMFYSA-N 2 0 340.468 -0.375 20 0 EBADRP C[NH+](C)CCCC(=O)NCC[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001267563885 813931849 /nfs/dbraw/zinc/93/18/49/813931849.db2.gz HTZFIMXPYDSLBG-KGLIPLIRSA-N 2 0 338.452 -0.038 20 0 EBADRP CCN(CC[NH2+]CCNS(C)(=O)=O)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268472984 814256883 /nfs/dbraw/zinc/25/68/83/814256883.db2.gz AINVODPZCMURNW-KBPBESRZSA-N 2 0 348.513 -0.296 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001268539309 814280334 /nfs/dbraw/zinc/28/03/34/814280334.db2.gz RXWKTQHMYJOOBT-XQJDBVBESA-N 2 0 337.424 -0.954 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001268625898 814325865 /nfs/dbraw/zinc/32/58/65/814325865.db2.gz VPGLXYXMOINAJL-IBUXWKBASA-N 2 0 337.424 -0.858 20 0 EBADRP C[C@H](C[N@H+](C)CCCN1C(=O)CNC1=O)NC(=O)[C@@H]1CCC[NH+]1C ZINC001268726950 814364900 /nfs/dbraw/zinc/36/49/00/814364900.db2.gz URCQPLLTNDSKCQ-OLZOCXBDSA-N 2 0 339.440 -0.541 20 0 EBADRP C[C@@H]([NH2+]CCCN(C)C(=O)CC[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001268958400 814458140 /nfs/dbraw/zinc/45/81/40/814458140.db2.gz JLHOYKFPMNYIKS-CYBMUJFWSA-N 2 0 341.456 -0.116 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001269186394 814571993 /nfs/dbraw/zinc/57/19/93/814571993.db2.gz GJWZAZWUGAMBFY-KRWDZBQOSA-N 2 0 340.468 -0.280 20 0 EBADRP O=C(CC[NH+]1CCCCC1)NC[C@H]1CCN1[C@H]1CCC(=O)NC1=O ZINC001269352179 814656898 /nfs/dbraw/zinc/65/68/98/814656898.db2.gz SDWIJAMZAZPYIU-KGLIPLIRSA-N 2 0 336.436 -0.142 20 0 EBADRP COCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001083937005 815723816 /nfs/dbraw/zinc/72/38/16/815723816.db2.gz GXPQDWSARWLBSI-CVEARBPZSA-N 2 0 325.453 -0.084 20 0 EBADRP Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001083953908 815735402 /nfs/dbraw/zinc/73/54/02/815735402.db2.gz BPCLQKUTXBTEJQ-BMFZPTHFSA-N 2 0 335.452 -0.534 20 0 EBADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C[NH2+]CCN1CCNC1=O ZINC001270517607 815804324 /nfs/dbraw/zinc/80/43/24/815804324.db2.gz RTYIVROAUYGDLT-KBPBESRZSA-N 2 0 325.457 -0.305 20 0 EBADRP CC(=O)NCCOCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001270557370 815812477 /nfs/dbraw/zinc/81/24/77/815812477.db2.gz KGOXBXDGIKJZGG-RDJZCZTQSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3C[C@@]3(C(=O)NC3CC[NH+](C)CC3)C2)C1 ZINC001271175119 816017799 /nfs/dbraw/zinc/01/77/99/816017799.db2.gz HPVXPBNGYGIWGH-PMUMKWKESA-N 2 0 334.464 -0.003 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC3(C[C@H]3C(=O)NC3CC[NH+](C)CC3)C2)C1 ZINC001271176349 816019210 /nfs/dbraw/zinc/01/92/10/816019210.db2.gz PPUCWCWTPYSFDP-ZFWWWQNUSA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(NC[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001086087396 816225730 /nfs/dbraw/zinc/22/57/30/816225730.db2.gz YEWLZVUVMNMDLD-IMJJTQAJSA-N 2 0 349.479 -0.162 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1)C(N)=O ZINC001086088714 816226430 /nfs/dbraw/zinc/22/64/30/816226430.db2.gz NDNDBLBZUJRCCF-RWMBFGLXSA-N 2 0 336.440 -0.584 20 0 EBADRP Cc1nnc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)[nH]1 ZINC001086091830 816226656 /nfs/dbraw/zinc/22/66/56/816226656.db2.gz PBKWLUUOTVZKJD-XGUBFFRZSA-N 2 0 348.451 -0.039 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001086270754 816285031 /nfs/dbraw/zinc/28/50/31/816285031.db2.gz SJKFIHXQOJRPML-MELADBBJSA-N 2 0 336.436 -0.429 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001086402011 816321693 /nfs/dbraw/zinc/32/16/93/816321693.db2.gz DONHTCRDARQDPI-XUXIUFHCSA-N 2 0 336.436 -0.240 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@H](CNC(=O)C34CCC[NH+]3CCC4)C2)nc1=O ZINC001086417426 816326983 /nfs/dbraw/zinc/32/69/83/816326983.db2.gz OSXOKKCRSZWXPZ-JOCQHMNTSA-N 2 0 348.451 -0.279 20 0 EBADRP Cn1cc(C[NH2+]CCN(CCO)C(=O)[C@H]2C[NH+]3CCC2CC3)cn1 ZINC001272168586 816337123 /nfs/dbraw/zinc/33/71/23/816337123.db2.gz LFXIEZXIESHPKK-INIZCTEOSA-N 2 0 335.452 -0.328 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001086466726 816348262 /nfs/dbraw/zinc/34/82/62/816348262.db2.gz QYBLVJZGEVOLPW-UBHSHLNASA-N 2 0 336.436 -0.382 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnc4n3CCOC4)C2)C1 ZINC001086550282 816372392 /nfs/dbraw/zinc/37/23/92/816372392.db2.gz BYGXQGTXIJXZGC-MGPQQGTHSA-N 2 0 348.451 -0.256 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nnc4n3CCOC4)C2)C1 ZINC001086550281 816372942 /nfs/dbraw/zinc/37/29/42/816372942.db2.gz BYGXQGTXIJXZGC-IHRRRGAJSA-N 2 0 348.451 -0.256 20 0 EBADRP CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C ZINC001272273504 816380131 /nfs/dbraw/zinc/38/01/31/816380131.db2.gz OKYQCHDUKPOBRJ-CHZLEKFTSA-N 2 0 338.452 -0.749 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N(CCO)CC[NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC001272307526 816393224 /nfs/dbraw/zinc/39/32/24/816393224.db2.gz RHACURGHJGFOIN-RYUDHWBXSA-N 2 0 341.374 -0.338 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCc1cnn(C)c1 ZINC001272414699 816425708 /nfs/dbraw/zinc/42/57/08/816425708.db2.gz ROTBMLOWDGFUBI-HZPDHXFCSA-N 2 0 337.468 -0.098 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001086997049 816440481 /nfs/dbraw/zinc/44/04/81/816440481.db2.gz ILMRTXVRCWNTES-MJBXVCDLSA-N 2 0 336.440 -0.870 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CN(C)CCO1 ZINC001272704704 816509177 /nfs/dbraw/zinc/50/91/77/816509177.db2.gz UJHLLGDYGDNOIT-ZIAGYGMSSA-N 2 0 328.457 -0.332 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001272789916 816523950 /nfs/dbraw/zinc/52/39/50/816523950.db2.gz FSHTZYZGPBHMPT-SDDRHHMPSA-N 2 0 327.429 -0.604 20 0 EBADRP C[C@@H](CC[NH2+]CCN1C(=O)CNC1=O)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001272865835 816540865 /nfs/dbraw/zinc/54/08/65/816540865.db2.gz ONKFAPOPVAQVEW-QWHCGFSZSA-N 2 0 339.440 -0.493 20 0 EBADRP CCNC(=O)CN1C[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273029322 816570815 /nfs/dbraw/zinc/57/08/15/816570815.db2.gz AUGHWFHYSFHLPO-KRWDZBQOSA-N 2 0 338.452 -0.575 20 0 EBADRP O=C1COCC2(C[NH+](CC3CC[NH2+]CC3)C2)N1Cc1ncccn1 ZINC001273031673 816571627 /nfs/dbraw/zinc/57/16/27/816571627.db2.gz ZVTBEEHYDSPNHS-UHFFFAOYSA-N 2 0 331.420 -0.111 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2C[C@@H]3C[N@@H+](CCO)CC[C@@H]3C2)n1 ZINC001087969670 816594848 /nfs/dbraw/zinc/59/48/48/816594848.db2.gz HKKFJKKCJPTUOK-CABCVRRESA-N 2 0 335.452 -0.169 20 0 EBADRP C[C@H](CC[NH2+]Cc1nnnn1C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001273184881 816602612 /nfs/dbraw/zinc/60/26/12/816602612.db2.gz UTAHQYHEVMOPEJ-CHWSQXEVSA-N 2 0 339.444 -0.837 20 0 EBADRP COC(=O)[C@@H](C)C[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273416353 816670860 /nfs/dbraw/zinc/67/08/60/816670860.db2.gz ZVOMTZYKEJQPTF-WMLDXEAASA-N 2 0 341.452 -0.092 20 0 EBADRP CCN(CC[NH2+]CC(=O)NC1CCOCC1)C(=O)C[NH+]1CCCC1 ZINC001273752046 816749497 /nfs/dbraw/zinc/74/94/97/816749497.db2.gz DUFXBZOPXXDZTM-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@H+](CCS(C)(=O)=O)C2)C1=O ZINC001273811737 816770143 /nfs/dbraw/zinc/77/01/43/816770143.db2.gz QFBNZSYXUWSXQN-OAHLLOKOSA-N 2 0 345.465 -0.566 20 0 EBADRP C[NH+]1CCN(CCCN2CC[C@@]3(CC[N@H+](CC(N)=O)C3)C2=O)CC1 ZINC001274062503 816854320 /nfs/dbraw/zinc/85/43/20/816854320.db2.gz RQSNRKOWAMMEKO-QGZVFWFLSA-N 2 0 337.468 -0.966 20 0 EBADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3c[nH]ccc3=O)C2)OCC1=O ZINC001274452784 816966888 /nfs/dbraw/zinc/96/68/88/816966888.db2.gz NGHOQVRUNFHPHM-QGZVFWFLSA-N 2 0 334.420 -0.260 20 0 EBADRP C[C@@H](O)C[NH+]1CC(N2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001274479278 816977085 /nfs/dbraw/zinc/97/70/85/816977085.db2.gz DHHKLQDKIDUTRI-OAHLLOKOSA-N 2 0 326.485 -0.073 20 0 EBADRP CC[NH+](CC)C[C@@H](O)CN1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001274655450 817060680 /nfs/dbraw/zinc/06/06/80/817060680.db2.gz KMILPMLTRPBHPC-OAHLLOKOSA-N 2 0 342.484 -0.836 20 0 EBADRP C[C@H](C[NH2+]CCN(C)S(C)(=O)=O)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001274919035 817121109 /nfs/dbraw/zinc/12/11/09/817121109.db2.gz INJCQXGNKFIRLO-QWHCGFSZSA-N 2 0 334.486 -0.686 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]CCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001275233372 817175179 /nfs/dbraw/zinc/17/51/79/817175179.db2.gz YCPZFVPZRQZSPP-BLYZHGLHSA-N 2 0 331.482 -0.144 20 0 EBADRP C[C@@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001275259414 817180461 /nfs/dbraw/zinc/18/04/61/817180461.db2.gz SPPCLKAZBIBHSZ-LBPRGKRZSA-N 2 0 334.486 -0.496 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](O)C1 ZINC001090272471 817213512 /nfs/dbraw/zinc/21/35/12/817213512.db2.gz PFBGYUAZONHBEP-UKRRQHHQSA-N 2 0 339.440 -0.744 20 0 EBADRP Cn1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(NCC[NH+](C)C)C3)c(=O)n(C)c1=O ZINC001276321216 817385928 /nfs/dbraw/zinc/38/59/28/817385928.db2.gz AHTBSLRSKSNRDJ-MQVJKMGUSA-N 2 0 349.479 -0.269 20 0 EBADRP C[C@@H]([NH2+]CCCN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1)C(=O)N(C)C ZINC001276386487 817395453 /nfs/dbraw/zinc/39/54/53/817395453.db2.gz CGSRSUQUUIHRFQ-LSDHHAIUSA-N 2 0 342.484 -0.131 20 0 EBADRP O=C(C1=CNN2C=CNC=C12)N1CCC12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001276710307 817457844 /nfs/dbraw/zinc/45/78/44/817457844.db2.gz UITBFKZYZWOQTM-UHFFFAOYSA-N 2 0 342.447 -0.107 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCn3cccn3)C[C@@H]2O)CC1 ZINC001090537599 817520729 /nfs/dbraw/zinc/52/07/29/817520729.db2.gz MQSKFUIQGJLFMX-HOTGVXAUSA-N 2 0 335.452 -0.224 20 0 EBADRP Cc1nc(CNC(=O)C2=NO[C@@H]3C[N@H+](CC4CC[NH2+]CC4)C[C@H]23)no1 ZINC001277822526 817641308 /nfs/dbraw/zinc/64/13/08/817641308.db2.gz VLVHRDSEDGGUNN-QWHCGFSZSA-N 2 0 348.407 -0.320 20 0 EBADRP Cn1nccc1CNC(=O)C1=NO[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]12 ZINC001277822571 817641349 /nfs/dbraw/zinc/64/13/49/817641349.db2.gz WXJAIIFHDTYAHM-LSDHHAIUSA-N 2 0 346.435 -0.278 20 0 EBADRP CN(CC[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1)S(C)(=O)=O ZINC001277997914 817670856 /nfs/dbraw/zinc/67/08/56/817670856.db2.gz VVIPTQZTLSPWDE-AWEZNQCLSA-N 2 0 346.497 -0.446 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCNC(=O)NC(C)(C)C ZINC001278053226 817687275 /nfs/dbraw/zinc/68/72/75/817687275.db2.gz DIVYZYSJJOTRQU-STQMWFEESA-N 2 0 343.472 -0.755 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001278350272 817745907 /nfs/dbraw/zinc/74/59/07/817745907.db2.gz SSXLLOIYOSAWLL-INIZCTEOSA-N 2 0 326.485 -0.071 20 0 EBADRP CN(C[C@H](O)C[NH2+]CCc1ccnn1C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001278773499 817822044 /nfs/dbraw/zinc/82/20/44/817822044.db2.gz FRHDJZJYXSJWDT-HZPDHXFCSA-N 2 0 337.468 -0.144 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CCc1ccnn1C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001278773500 817822193 /nfs/dbraw/zinc/82/21/93/817822193.db2.gz FRHDJZJYXSJWDT-JKSUJKDBSA-N 2 0 337.468 -0.144 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CCc1cnn(C)c1)C(=O)C12CCC[NH+]1CCC2 ZINC001278778639 817825193 /nfs/dbraw/zinc/82/51/93/817825193.db2.gz AJFADFQDUSSNPH-INIZCTEOSA-N 2 0 349.479 0.000 20 0 EBADRP CNC(=O)C[NH2+]CCN(CCO)C(=O)c1ccc2c[nH+]cn2c1C ZINC001279754268 817982544 /nfs/dbraw/zinc/98/25/44/817982544.db2.gz XSHCNQBUKFKGLZ-UHFFFAOYSA-N 2 0 333.392 -0.587 20 0 EBADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001094165553 818164291 /nfs/dbraw/zinc/16/42/91/818164291.db2.gz QXPYQGWBWSVLRY-MGPQQGTHSA-N 2 0 335.456 -0.264 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001094169930 818165305 /nfs/dbraw/zinc/16/53/05/818165305.db2.gz DSIRAWRHIHGVFI-KFWWJZLASA-N 2 0 334.464 -0.003 20 0 EBADRP CC[C@H](C(=O)N1CCC(C)([NH2+]CCNS(C)(=O)=O)CC1)[NH+](C)C ZINC001281518581 818207934 /nfs/dbraw/zinc/20/79/34/818207934.db2.gz ROEHSUKGINSDEI-CYBMUJFWSA-N 2 0 348.513 -0.154 20 0 EBADRP CNC(=O)C[NH2+][C@H](C)[C@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001282927701 818534156 /nfs/dbraw/zinc/53/41/56/818534156.db2.gz HCMLMMGVDKZUCH-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@H](COCC(=O)NCCNC(=O)[C@H]1CC[N@H+](C)C1)[NH+]1CCCC1 ZINC001283026329 818591215 /nfs/dbraw/zinc/59/12/15/818591215.db2.gz WRTOPTVDNRNRNJ-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H](COCC(=O)NCCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+]1CCCC1 ZINC001283026331 818591438 /nfs/dbraw/zinc/59/14/38/818591438.db2.gz WRTOPTVDNRNRNJ-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H](CCC[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001283215259 818704107 /nfs/dbraw/zinc/70/41/07/818704107.db2.gz UFLVRGQOXVRCIY-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H](C(=O)N(C)C)[N@H+](C)CCOCCNC(=O)[C@H]1CCC[NH+]1C ZINC001283358516 818774378 /nfs/dbraw/zinc/77/43/78/818774378.db2.gz DCJFBSMJFVRWOK-UONOGXRCSA-N 2 0 328.457 -0.378 20 0 EBADRP C[N@H+](CCOCCNC(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CCCNC1=O ZINC001283389333 818790835 /nfs/dbraw/zinc/79/08/35/818790835.db2.gz WQKQKTSWROFWAW-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@H+](CCOCCNC(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CCNC1=O ZINC001283421067 818804120 /nfs/dbraw/zinc/80/41/20/818804120.db2.gz FYOTUGBCOBUHIB-KGLIPLIRSA-N 2 0 326.441 -0.719 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCOCCC[NH2+][C@@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001283473233 818822446 /nfs/dbraw/zinc/82/24/46/818822446.db2.gz VTTRXYNGOLLEQM-RBSFLKMASA-N 2 0 340.468 -0.330 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2CCNC2=O)C1 ZINC001096539099 818850000 /nfs/dbraw/zinc/85/00/00/818850000.db2.gz VDWNMUIHERHVER-KBXIAJHMSA-N 2 0 335.452 -0.315 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2CCNC2=O)C1 ZINC001096539100 818850560 /nfs/dbraw/zinc/85/05/60/818850560.db2.gz VDWNMUIHERHVER-XGUBFFRZSA-N 2 0 335.452 -0.315 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCN1CCNC1=O ZINC001096887952 818899614 /nfs/dbraw/zinc/89/96/14/818899614.db2.gz XZFJBWRUCPOYSI-APIJFGDWSA-N 2 0 335.452 -0.173 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@H]1C ZINC001283925465 819030833 /nfs/dbraw/zinc/03/08/33/819030833.db2.gz DAROVZLBYIRXPV-OLZOCXBDSA-N 2 0 334.486 -0.544 20 0 EBADRP O=C([C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC([NH+](CCO)CCO)CC1 ZINC001098373645 819156648 /nfs/dbraw/zinc/15/66/48/819156648.db2.gz JDRCPQWEUDTLNN-JKSUJKDBSA-N 2 0 341.452 -0.873 20 0 EBADRP CNC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001098391337 819166770 /nfs/dbraw/zinc/16/67/70/819166770.db2.gz APVYYTUFPOBUQX-MRXNPFEDSA-N 2 0 340.468 -0.642 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCC([N@H+](CCO)CCOCCO)CC1 ZINC001098461941 819198692 /nfs/dbraw/zinc/19/86/92/819198692.db2.gz BTTRUHWPDUMIAN-UHFFFAOYSA-N 2 0 345.484 -0.378 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N2CCC([NH+](CCO)CC(N)=O)CC2)CC[N@@H+]1C ZINC001098460909 819198863 /nfs/dbraw/zinc/19/88/63/819198863.db2.gz SJTCKONVPNZQSW-KBPBESRZSA-N 2 0 340.468 -0.513 20 0 EBADRP COCCOCC[N@H+](CCO)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001098467748 819204913 /nfs/dbraw/zinc/20/49/13/819204913.db2.gz SNYAVLQJKSEXEH-UHFFFAOYSA-N 2 0 345.484 -0.114 20 0 EBADRP CCNC(=O)C[N@H+](CCO)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001098467499 819204936 /nfs/dbraw/zinc/20/49/36/819204936.db2.gz GYBHGADWNLNXTR-UHFFFAOYSA-N 2 0 328.457 -0.641 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC([N@H+](CCO)CC(=O)N(C)C)CC1 ZINC001098505839 819222534 /nfs/dbraw/zinc/22/25/34/819222534.db2.gz DUPCJLMMMFTFLO-UHFFFAOYSA-N 2 0 342.484 -0.298 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC([NH+](CCO)CCOCCO)CC1 ZINC001098540670 819238099 /nfs/dbraw/zinc/23/80/99/819238099.db2.gz UKHMZTVFKGEQSW-UHFFFAOYSA-N 2 0 345.484 -0.378 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H](n2cc(C[NH2+]CCCO)nn2)C1)[NH+](C)C ZINC001098685571 819323990 /nfs/dbraw/zinc/32/39/90/819323990.db2.gz LPMWHRPGHUGKAG-LSDHHAIUSA-N 2 0 338.456 -0.136 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@H](n2cc(C[NH2+]CCCO)nn2)C1)[NH+](C)C ZINC001098728084 819345566 /nfs/dbraw/zinc/34/55/66/819345566.db2.gz LPMWHRPGHUGKAG-GJZGRUSLSA-N 2 0 338.456 -0.136 20 0 EBADRP CC(=O)NCCOCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001284750938 819347106 /nfs/dbraw/zinc/34/71/06/819347106.db2.gz NEUPFXSMJSYCQB-UYSNPLJNSA-N 2 0 340.468 -0.188 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H](n2cc(C[NH2+]C[C@@H](C)O)nn2)C1 ZINC001098762542 819356901 /nfs/dbraw/zinc/35/69/01/819356901.db2.gz NOQXFURWQMCCTN-HIFRSBDPSA-N 2 0 338.456 -0.136 20 0 EBADRP O=C(N1CC[C@H](n2cc(C[NH2+]CCCO)nn2)C1)C12CC[NH+](CC1)C2 ZINC001098766821 819358344 /nfs/dbraw/zinc/35/83/44/819358344.db2.gz HFVLEAXHWWZXFS-HNNXBMFYSA-N 2 0 348.451 -0.381 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](n3cc(C[NH2+]CCCO)nn3)C2)C1 ZINC001098778822 819363062 /nfs/dbraw/zinc/36/30/62/819363062.db2.gz BRNIWEQDVXKUBR-DZGCQCFKSA-N 2 0 336.440 -0.525 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098784760 819366838 /nfs/dbraw/zinc/36/68/38/819366838.db2.gz LBPSVWYALUGARM-OAHLLOKOSA-N 2 0 338.456 -0.136 20 0 EBADRP O=C(N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001099904240 819887421 /nfs/dbraw/zinc/88/74/21/819887421.db2.gz SABRJGKWYRAIMY-LSDHHAIUSA-N 2 0 341.452 -0.825 20 0 EBADRP Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)cc1=O ZINC001099987024 819993437 /nfs/dbraw/zinc/99/34/37/819993437.db2.gz SOSOJOMLEJQKJX-CABCVRRESA-N 2 0 336.436 -0.612 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001099988352 819996299 /nfs/dbraw/zinc/99/62/99/819996299.db2.gz HENFDTLKDPJUPG-LSDHHAIUSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001100042092 820110442 /nfs/dbraw/zinc/11/04/42/820110442.db2.gz SVJKANXWZDZLNZ-JKSUJKDBSA-N 2 0 337.468 -0.144 20 0 EBADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@H]2O)CC1 ZINC001100047198 820121592 /nfs/dbraw/zinc/12/15/92/820121592.db2.gz ZAKQALRWTXDULT-HZPDHXFCSA-N 2 0 343.468 -0.721 20 0 EBADRP COCCC[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001100050482 820125776 /nfs/dbraw/zinc/12/57/76/820125776.db2.gz IYFDHORTHISIJI-CVEARBPZSA-N 2 0 343.468 -0.315 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@H+](CC2CCOCC2)C[C@H]1O ZINC001100074180 820165049 /nfs/dbraw/zinc/16/50/49/820165049.db2.gz JYYBEYUEBUXSPX-HZPDHXFCSA-N 2 0 343.468 -0.457 20 0 EBADRP COCCCCC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100075145 820167898 /nfs/dbraw/zinc/16/78/98/820167898.db2.gz ZAJPLSZMLLZWTH-HZPDHXFCSA-N 2 0 345.484 -0.067 20 0 EBADRP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100081492 820180961 /nfs/dbraw/zinc/18/09/61/820180961.db2.gz TVEVCWWREHNHRR-GJZGRUSLSA-N 2 0 331.457 -0.721 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCOCCOC)C[C@H]1O ZINC001100082767 820182478 /nfs/dbraw/zinc/18/24/78/820182478.db2.gz HVSNLSAENSVTJP-JKSUJKDBSA-N 2 0 345.484 -0.067 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCN2CCCC2=O)C[C@H]1O ZINC001100132258 820271530 /nfs/dbraw/zinc/27/15/30/820271530.db2.gz QPFNMIPWBIURDK-LSDHHAIUSA-N 2 0 340.468 -0.500 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001100185856 820306377 /nfs/dbraw/zinc/30/63/77/820306377.db2.gz QHRGQDYRUAVZKR-HTAVTVPLSA-N 2 0 325.413 -0.979 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCCS(C)(=O)=O)C1 ZINC001100187667 820307962 /nfs/dbraw/zinc/30/79/62/820307962.db2.gz HUDPWCCKFLJSBV-JXQTWKCFSA-N 2 0 331.482 0.000 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100459966 820429704 /nfs/dbraw/zinc/42/97/04/820429704.db2.gz IGRVFTDEQNFZNK-UHFFFAOYSA-N 2 0 327.429 -0.604 20 0 EBADRP CC[C@@H](C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1)[NH+](CC)CC ZINC001100669445 820505272 /nfs/dbraw/zinc/50/52/72/820505272.db2.gz YFYJTIUSEIXEED-BPCQOVAHSA-N 2 0 341.456 -0.214 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1CC([NH2+]CCN2CCNC2=O)C1 ZINC001100676230 820507177 /nfs/dbraw/zinc/50/71/77/820507177.db2.gz LETQOUXVYAXBIQ-WLYUNCDWSA-N 2 0 337.468 -0.020 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC1CC([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001100676181 820507336 /nfs/dbraw/zinc/50/73/36/820507336.db2.gz JFOMCDNHZSHCLN-HIFPTAJRSA-N 2 0 336.440 -0.423 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1CC([NH2+]CCS(C)(=O)=O)C1 ZINC001100676038 820507965 /nfs/dbraw/zinc/50/79/65/820507965.db2.gz HRMFXJHJKQINTM-IYXRBSQSSA-N 2 0 331.482 0.000 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1CC([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001100770986 820547640 /nfs/dbraw/zinc/54/76/40/820547640.db2.gz SUKRCVVCPKPCBF-UNXYVOJBSA-N 2 0 327.429 -0.604 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001100827587 820563064 /nfs/dbraw/zinc/56/30/64/820563064.db2.gz LGDNKXMREDSCFD-UHFFFAOYSA-N 2 0 338.452 -0.038 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1 ZINC001100831278 820564228 /nfs/dbraw/zinc/56/42/28/820564228.db2.gz OZPSVYJXZAODGP-UHFFFAOYSA-N 2 0 334.486 -0.638 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+]C[C@H](O)COCCOC)C1 ZINC001100829895 820564467 /nfs/dbraw/zinc/56/44/67/820564467.db2.gz QIEQOZNBEXZYCT-GPANFISMSA-N 2 0 345.484 -0.164 20 0 EBADRP CN1CC[C@H]([NH2+]C2CC(CNC(=O)COCC[NH+](C)C)C2)C1=O ZINC001100870966 820585283 /nfs/dbraw/zinc/58/52/83/820585283.db2.gz UMUQPUYDJRVBLB-RUXDESIVSA-N 2 0 326.441 -0.720 20 0 EBADRP CN(CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001100981092 820630182 /nfs/dbraw/zinc/63/01/82/820630182.db2.gz VNOGODLCYXMODB-MOKVOYLWSA-N 2 0 346.497 -0.686 20 0 EBADRP CN(C)Cc1cc(C(=O)NCCCNC(=O)[C@@H]2CC[N@H+](C)C2)no1 ZINC001293332940 820746451 /nfs/dbraw/zinc/74/64/51/820746451.db2.gz HFRCLNBNPNKOGF-GFCCVEGCSA-N 2 0 337.424 -0.076 20 0 EBADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432319 820790406 /nfs/dbraw/zinc/79/04/06/820790406.db2.gz LPEUYWAHLOVSGJ-CPUCHLNUSA-N 2 0 340.468 -0.391 20 0 EBADRP C[NH+](C)CCOCC(=O)NC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001293768818 820823016 /nfs/dbraw/zinc/82/30/16/820823016.db2.gz XAFQQRQHXYXIJZ-UHFFFAOYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NC(=O)COCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001295122186 821053604 /nfs/dbraw/zinc/05/36/04/821053604.db2.gz ARYXTDVJADVJID-KBUPBQIOSA-N 2 0 340.468 -0.332 20 0 EBADRP C[C@@H]1C[N@H+](CC(=O)N2CCOCC2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102319095 821069914 /nfs/dbraw/zinc/06/99/14/821069914.db2.gz YWYKSORIBKUJLQ-HUUCEWRRSA-N 2 0 340.468 -0.519 20 0 EBADRP CC(=O)NCCOCC[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320870 821070150 /nfs/dbraw/zinc/07/01/50/821070150.db2.gz WYPUFEZRVIQKTQ-GDBMZVCRSA-N 2 0 342.484 -0.225 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C)[NH+](C)C ZINC001102330069 821070706 /nfs/dbraw/zinc/07/07/06/821070706.db2.gz AHJUHGQRFWGVHV-YRGRVCCFSA-N 2 0 341.456 -0.548 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102475303 821120027 /nfs/dbraw/zinc/12/00/27/821120027.db2.gz IAEBNHSXQYFFJV-MCIONIFRSA-N 2 0 338.452 -0.183 20 0 EBADRP COCCOCC[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513590 821135016 /nfs/dbraw/zinc/13/50/16/821135016.db2.gz RZBWGNLSBFGORR-HZPDHXFCSA-N 2 0 345.484 -0.088 20 0 EBADRP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579766 821161309 /nfs/dbraw/zinc/16/13/09/821161309.db2.gz OLNRWMMXQAARHN-MGPQQGTHSA-N 2 0 336.436 -0.429 20 0 EBADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579519 821161605 /nfs/dbraw/zinc/16/16/05/821161605.db2.gz BISCUCMMNMQMEJ-HUUCEWRRSA-N 2 0 337.468 -0.209 20 0 EBADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103643791 821335702 /nfs/dbraw/zinc/33/57/02/821335702.db2.gz QLDAAWUDSNKROM-RBSFLKMASA-N 2 0 342.484 -0.097 20 0 EBADRP C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001105259537 821651443 /nfs/dbraw/zinc/65/14/43/821651443.db2.gz CJWNGSKFPOXVJU-XHDPSFHLSA-N 2 0 336.440 -0.528 20 0 EBADRP CC(C)[C@@H](C(=O)N1CC(n2cc(C[NH2+]C[C@@H](C)O)nn2)C1)[NH+](C)C ZINC001105264505 821654857 /nfs/dbraw/zinc/65/48/57/821654857.db2.gz KKZZDOVICKCJBQ-DOMZBBRYSA-N 2 0 338.456 -0.282 20 0 EBADRP C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC001105318461 821689218 /nfs/dbraw/zinc/68/92/18/821689218.db2.gz AEFDWKRXZWBONO-LBPRGKRZSA-N 2 0 336.440 -0.526 20 0 EBADRP C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC001105318460 821689446 /nfs/dbraw/zinc/68/94/46/821689446.db2.gz AEFDWKRXZWBONO-GFCCVEGCSA-N 2 0 336.440 -0.526 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CC(n3cc(C[NH2+]CCCO)nn3)C2)C1 ZINC001105326658 821692410 /nfs/dbraw/zinc/69/24/10/821692410.db2.gz AQJDWYDGUGWEFB-ZDUSSCGKSA-N 2 0 336.440 -0.525 20 0 EBADRP C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC001105326871 821694446 /nfs/dbraw/zinc/69/44/46/821694446.db2.gz KFSXENKJNCQBGQ-OLZOCXBDSA-N 2 0 336.440 -0.384 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105327266 821696029 /nfs/dbraw/zinc/69/60/29/821696029.db2.gz YWPOQCOGTCRRAJ-CYBMUJFWSA-N 2 0 336.440 -0.382 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC(n2cc(C[NH2+]CC3CC3)nn2)C1 ZINC001105360772 821718719 /nfs/dbraw/zinc/71/87/19/821718719.db2.gz HJGLSYMLDLVMBQ-UHFFFAOYSA-N 2 0 336.440 -0.261 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001316635874 821822779 /nfs/dbraw/zinc/82/27/79/821822779.db2.gz HOXXFXATKNXEIV-SYQHCUMBSA-N 2 0 336.436 -0.382 20 0 EBADRP C[C@@H](O)C[NH+]1CCN(CCCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001316959474 821940215 /nfs/dbraw/zinc/94/02/15/821940215.db2.gz KDUQIWLKRRQAFE-OAHLLOKOSA-N 2 0 326.485 -0.167 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001317072975 821993983 /nfs/dbraw/zinc/99/39/83/821993983.db2.gz MZNDCPAAWUALME-IHRRRGAJSA-N 2 0 326.441 -0.530 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001105941621 822012776 /nfs/dbraw/zinc/01/27/76/822012776.db2.gz FCRXZCUASFSKJY-MCIONIFRSA-N 2 0 346.497 -0.686 20 0 EBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001317308922 822078821 /nfs/dbraw/zinc/07/88/21/822078821.db2.gz ZIXXWJPWFGLHPK-RYUDHWBXSA-N 2 0 327.429 -0.508 20 0 EBADRP C[C@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]CCN1C(=O)CNC1=O ZINC001317396896 822099984 /nfs/dbraw/zinc/09/99/84/822099984.db2.gz RVQMDGWGZOVLPK-GFCCVEGCSA-N 2 0 339.440 -0.493 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+](CCN2C(=O)CNC2=O)C1 ZINC001317532818 822146675 /nfs/dbraw/zinc/14/66/75/822146675.db2.gz OSTOJNNBJNCLCU-CYBMUJFWSA-N 2 0 339.440 -0.682 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CC(=O)Nc2cnccn2)CC[N@@H+]1C ZINC001317590175 822167671 /nfs/dbraw/zinc/16/76/71/822167671.db2.gz WUWZOSJLXQLBKL-CHWSQXEVSA-N 2 0 334.424 -0.197 20 0 EBADRP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C[NH2+]CC(N)=O ZINC001106146027 822188098 /nfs/dbraw/zinc/18/80/98/822188098.db2.gz PGLUJRHTCMOWSW-CHWSQXEVSA-N 2 0 336.440 -0.772 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1)[NH+](C)C ZINC001106673151 822309270 /nfs/dbraw/zinc/30/92/70/822309270.db2.gz FLLKQQQYFKTATL-UTUOFQBUSA-N 2 0 327.429 -0.794 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]CC(=O)Nc1cnccn1 ZINC001128534153 828471131 /nfs/dbraw/zinc/47/11/31/828471131.db2.gz WVRXCIDFKHUTJU-GFCCVEGCSA-N 2 0 340.403 -0.199 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]CCNS(=O)(=O)CC ZINC001128540117 828472355 /nfs/dbraw/zinc/47/23/55/828472355.db2.gz PUCQEYOAIZQYIH-LBPRGKRZSA-N 2 0 340.465 -0.689 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001128545187 828473202 /nfs/dbraw/zinc/47/32/02/828473202.db2.gz VRJUVEVINDWJTB-QWRGUYRKSA-N 2 0 333.408 -0.784 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001128773548 828524253 /nfs/dbraw/zinc/52/42/53/828524253.db2.gz BDKSAGRBZFSIGW-CYBMUJFWSA-N 2 0 339.440 -0.445 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCNS(=O)(=O)CC ZINC001128785742 828526461 /nfs/dbraw/zinc/52/64/61/828526461.db2.gz QZXZPHVGGKEWFB-ZDUSSCGKSA-N 2 0 334.486 -0.494 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106981545 823712712 /nfs/dbraw/zinc/71/27/12/823712712.db2.gz TYRSBKFDKOTMGJ-QLFBSQMISA-N 2 0 337.468 -0.353 20 0 EBADRP C[NH+](C)C1(C(=O)NCC[NH2+]CC(=O)NCc2cccnc2)CCC1 ZINC001129351061 828603442 /nfs/dbraw/zinc/60/34/42/828603442.db2.gz IWXJDQYYOJLWGJ-UHFFFAOYSA-N 2 0 333.436 -0.112 20 0 EBADRP C[NH+](C)C1(C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)CCC1 ZINC001129358519 828604667 /nfs/dbraw/zinc/60/46/67/828604667.db2.gz TWASQDUJYUWRNX-UHFFFAOYSA-N 2 0 341.456 -0.199 20 0 EBADRP C[NH+](C)C1(C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)CCC1 ZINC001129356770 828605073 /nfs/dbraw/zinc/60/50/73/828605073.db2.gz HLZDJPKABBPDFU-UHFFFAOYSA-N 2 0 325.413 -0.882 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C1([NH+](C)C)CCC1)C(=O)NC[C@@H]1CCCO1 ZINC001129364327 828606023 /nfs/dbraw/zinc/60/60/23/828606023.db2.gz SKHINNLIFWOBJE-KGLIPLIRSA-N 2 0 340.468 -0.140 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001129386084 828609582 /nfs/dbraw/zinc/60/95/82/828609582.db2.gz XHUKANZSUDOGFO-KGLIPLIRSA-N 2 0 342.419 -0.443 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(=O)NC(N)=O ZINC001129418943 828615980 /nfs/dbraw/zinc/61/59/80/828615980.db2.gz YTRQFAUBXXMQRR-DGCLKSJQSA-N 2 0 339.440 -0.317 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C)C(=O)Nc1ncccn1 ZINC001129436194 828619170 /nfs/dbraw/zinc/61/91/70/828619170.db2.gz NEUKTKFYRIGXKD-WCQYABFASA-N 2 0 334.424 -0.150 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129454243 828622389 /nfs/dbraw/zinc/62/23/89/828622389.db2.gz IBYUABHLYVENDH-AWEZNQCLSA-N 2 0 341.456 -0.342 20 0 EBADRP CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129455355 828622517 /nfs/dbraw/zinc/62/25/17/828622517.db2.gz UWXCJQMEHSHABK-HIFRSBDPSA-N 2 0 342.484 -0.036 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129454885 828622750 /nfs/dbraw/zinc/62/27/50/828622750.db2.gz MONJNSWDOTVKDX-TZMCWYRMSA-N 2 0 328.457 -0.426 20 0 EBADRP C[NH+](C)CCOCC(=O)NC[C@@]1(C)C[N@H+](C[C@H]2CCOC2)CCO1 ZINC001108342201 824229123 /nfs/dbraw/zinc/22/91/23/824229123.db2.gz CPBCVQLLARNERS-WBVHZDCISA-N 2 0 343.468 -0.192 20 0 EBADRP C[N@H+](CC(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O)C1CCC1 ZINC001129535180 828632228 /nfs/dbraw/zinc/63/22/28/828632228.db2.gz KPSYBATZUAYJJE-UHFFFAOYSA-N 2 0 339.440 -0.493 20 0 EBADRP C[N@H+](CC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1)C1CCC1 ZINC001129535120 828632447 /nfs/dbraw/zinc/63/24/47/828632447.db2.gz JLIILUSGTVLPBH-ZDUSSCGKSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001129531666 828630881 /nfs/dbraw/zinc/63/08/81/828630881.db2.gz FBHTVSDNUPSNKS-ZDUSSCGKSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001129840753 828680636 /nfs/dbraw/zinc/68/06/36/828680636.db2.gz IYXRLQFXLKJTEX-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129910333 828692492 /nfs/dbraw/zinc/69/24/92/828692492.db2.gz OOTOEVAJUUNINP-ILXRZTDVSA-N 2 0 336.440 -0.250 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001110979883 824826502 /nfs/dbraw/zinc/82/65/02/824826502.db2.gz HIZVCCBJXFDPSP-QXSJWSMHSA-N 2 0 335.452 -0.083 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001130007321 828713755 /nfs/dbraw/zinc/71/37/55/828713755.db2.gz IXVGCFQKSIWBRV-ILXRZTDVSA-N 2 0 338.456 -0.004 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@H](C)COC)[C@@H](n2ccnn2)C1 ZINC001130074877 828727908 /nfs/dbraw/zinc/72/79/08/828727908.db2.gz INNOFAOLHNJEMM-KFWWJZLASA-N 2 0 338.456 -0.004 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001179580625 832991027 /nfs/dbraw/zinc/99/10/27/832991027.db2.gz KHFHNAYNAHXGJR-ZDUSSCGKSA-N 2 0 341.456 -0.068 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001130200661 828753691 /nfs/dbraw/zinc/75/36/91/828753691.db2.gz MTYGXBARDGXWTQ-ZYHUDNBSSA-N 2 0 327.429 -0.591 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111864177 825331227 /nfs/dbraw/zinc/33/12/27/825331227.db2.gz DMODNMHGOUFYQH-WQGACYEGSA-N 2 0 339.440 -0.508 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001130299709 828777014 /nfs/dbraw/zinc/77/70/14/828777014.db2.gz AVCKDNQGZBYUCK-ZIAGYGMSSA-N 2 0 346.497 -0.542 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]C[C@@H](O)CO[C@@H](C)COC ZINC001130425009 828829560 /nfs/dbraw/zinc/82/95/60/828829560.db2.gz KAZGKVRBSFATEL-UONOGXRCSA-N 2 0 333.473 -0.165 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCOCCO)C[C@H]21 ZINC001114263602 826186335 /nfs/dbraw/zinc/18/63/35/826186335.db2.gz XVKDCLLPXKLLQB-QXSJWSMHSA-N 2 0 325.453 -0.086 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1[C@H]2C[NH+](CCOCCO)C[C@H]21 ZINC001114425651 826244228 /nfs/dbraw/zinc/24/42/28/826244228.db2.gz FJSJSWABJQFZRV-LJIGWXMPSA-N 2 0 325.453 -0.084 20 0 EBADRP CCn1nncc1C[NH2+][C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C ZINC001179933568 833028068 /nfs/dbraw/zinc/02/80/68/833028068.db2.gz IGODXBIBWBIGAY-ZFWWWQNUSA-N 2 0 338.456 -0.045 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001114663289 826315150 /nfs/dbraw/zinc/31/51/50/826315150.db2.gz SNLYSDYGZZOLOL-BYNSBNAKSA-N 2 0 325.453 -0.086 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCOCCO)C[C@H]32)CC[N@@H+]1C ZINC001114733326 826327532 /nfs/dbraw/zinc/32/75/32/826327532.db2.gz ZKYIVGXBCKGSCT-RFBLXINOSA-N 2 0 325.453 -0.228 20 0 EBADRP CN(C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001114743406 826331282 /nfs/dbraw/zinc/33/12/82/826331282.db2.gz IOQXDEXYDBFOQK-FOLVSLTJSA-N 2 0 334.464 -0.005 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]21 ZINC001114779073 826340625 /nfs/dbraw/zinc/34/06/25/826340625.db2.gz XAMYTGNWBZLMEJ-FOLVSLTJSA-N 2 0 343.493 -0.191 20 0 EBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)CC1 ZINC001115038575 826406044 /nfs/dbraw/zinc/40/60/44/826406044.db2.gz MLBFZCMVPLIJRY-CTASWTNQSA-N 2 0 336.436 -0.968 20 0 EBADRP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC1CC[NH+](C)CC1 ZINC001115039008 826406082 /nfs/dbraw/zinc/40/60/82/826406082.db2.gz RLWXZRMUKXKPPA-CTASWTNQSA-N 2 0 338.452 -0.593 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001115126624 826428679 /nfs/dbraw/zinc/42/86/79/826428679.db2.gz QXPKDZHSSSTSIN-SZOQZIPDSA-N 2 0 348.451 -0.610 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001115245859 826471014 /nfs/dbraw/zinc/47/10/14/826471014.db2.gz ZRIWQJIJZBHWST-WCVJEAGWSA-N 2 0 341.452 -0.990 20 0 EBADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001115292715 826497317 /nfs/dbraw/zinc/49/73/17/826497317.db2.gz UDRSZZRHCVRZSQ-QLPKVWCKSA-N 2 0 349.479 -0.066 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001180259327 833064630 /nfs/dbraw/zinc/06/46/30/833064630.db2.gz BSEWNCUYUGJNOR-LBPRGKRZSA-N 2 0 327.429 -0.601 20 0 EBADRP Cn1[nH]c(C[NH2+]CCCCCCNC(=O)[C@@H]2CC[N@H+](C)C2)nc1=O ZINC001180259904 833064939 /nfs/dbraw/zinc/06/49/39/833064939.db2.gz OKDKNEGOIFBGQI-CYBMUJFWSA-N 2 0 338.456 -0.174 20 0 EBADRP C[NH+](C)C[C@@H](O)CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC001116302850 826611694 /nfs/dbraw/zinc/61/16/94/826611694.db2.gz JSQYNJUYYZXPKO-ZDUSSCGKSA-N 2 0 332.364 -0.756 20 0 EBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC001117359149 826729450 /nfs/dbraw/zinc/72/94/50/826729450.db2.gz GWQHFKRUTIOLNA-KFWWJZLASA-N 2 0 339.484 -0.853 20 0 EBADRP O=C(NCCC[NH+]1CCC(O)CC1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001118200153 826874430 /nfs/dbraw/zinc/87/44/30/826874430.db2.gz BDEMUKNALHHNKV-CYBMUJFWSA-N 2 0 336.440 -0.221 20 0 EBADRP [NH3+]CCCOC1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC001118205273 826876009 /nfs/dbraw/zinc/87/60/09/826876009.db2.gz IZIOMKNXNJCBGB-AWEZNQCLSA-N 2 0 326.441 -0.399 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)C[C@H]1C[NH3+] ZINC001118265619 826893590 /nfs/dbraw/zinc/89/35/90/826893590.db2.gz UHWCYVVZCCXDHR-CBBWQLFWSA-N 2 0 340.468 -0.202 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@]1(C)C[NH2+]CC(=O)NC(N)=O ZINC001180898860 833121592 /nfs/dbraw/zinc/12/15/92/833121592.db2.gz FPFIFHXAWSGHFV-XHBSWPGZSA-N 2 0 339.440 -0.650 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001118548381 826956867 /nfs/dbraw/zinc/95/68/67/826956867.db2.gz LFBIYNUZUPRQBL-CQSZACIVSA-N 2 0 326.441 -0.447 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N(C)CCC[NH3+])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001118573619 826961309 /nfs/dbraw/zinc/96/13/09/826961309.db2.gz DQTYXIHCNAEKQH-GJZGRUSLSA-N 2 0 339.484 -0.722 20 0 EBADRP Cn1nccc1NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001119034466 827051619 /nfs/dbraw/zinc/05/16/19/827051619.db2.gz LFAHCATUTPAATN-CHWSQXEVSA-N 2 0 336.440 -0.444 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1([NH2+]CC(N)=O)CCCCC1 ZINC001120147696 827177362 /nfs/dbraw/zinc/17/73/62/827177362.db2.gz TWZWOFYFSDLJNG-CQSZACIVSA-N 2 0 340.468 -0.151 20 0 EBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)C[C@@H]2C1 ZINC001120371897 827199505 /nfs/dbraw/zinc/19/95/05/827199505.db2.gz UFNSNBFHXGOBQT-LXTVHRRPSA-N 2 0 338.452 -0.639 20 0 EBADRP CCOC(=O)C1(NC(=O)C2(O)CC[NH+](C)CC2)CC[NH+](C)CC1 ZINC001182036058 833196365 /nfs/dbraw/zinc/19/63/65/833196365.db2.gz KETDLXUFRBHJBU-UHFFFAOYSA-N 2 0 327.425 -0.413 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@@H](C)O1 ZINC001121983064 827495407 /nfs/dbraw/zinc/49/54/07/827495407.db2.gz WMESKERLZYBTQN-MCIONIFRSA-N 2 0 338.452 -0.578 20 0 EBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC[NH+](C3CCOCC3)CC2)C1=O ZINC001122003979 827501092 /nfs/dbraw/zinc/50/10/92/827501092.db2.gz YKVGXWDSPGVKCD-HNNXBMFYSA-N 2 0 338.452 -0.493 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2CC3(C2)CC([NH2+]CCOCCO)C3)C1 ZINC001122177945 827538062 /nfs/dbraw/zinc/53/80/62/827538062.db2.gz OOOMNMWCNIAQSG-DPGVGJJJSA-N 2 0 325.453 -0.036 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@]1(C)C[NH2+]CC(=O)NC(N)=O ZINC001182485641 833237364 /nfs/dbraw/zinc/23/73/64/833237364.db2.gz DYYZPSSMEIHNEZ-IAQYHMDHSA-N 2 0 327.429 -0.793 20 0 EBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC001123484286 827711338 /nfs/dbraw/zinc/71/13/38/827711338.db2.gz PZLKGZUVHVBETQ-IRXDYDNUSA-N 2 0 335.496 -0.385 20 0 EBADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001182670543 833251537 /nfs/dbraw/zinc/25/15/37/833251537.db2.gz QNDJJHYIHMDYKK-QWHCGFSZSA-N 2 0 336.440 -0.617 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001182965072 833271129 /nfs/dbraw/zinc/27/11/29/833271129.db2.gz TVOGEGSVMLHNCI-KGLIPLIRSA-N 2 0 343.447 -0.118 20 0 EBADRP Cn1cc(N2CCC[C@@H]([NH2+]CCNC(=O)[C@H]3CCC[N@@H+]3C)C2=O)cn1 ZINC001124867136 827969129 /nfs/dbraw/zinc/96/91/29/827969129.db2.gz SIWLKZPCEQFVMX-HUUCEWRRSA-N 2 0 348.451 -0.285 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001124867038 827969675 /nfs/dbraw/zinc/96/96/75/827969675.db2.gz QPLZJTRMPFPWLD-DZGCQCFKSA-N 2 0 329.441 -0.657 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@]1(C)C[NH2+]CC(=O)N(C)C ZINC001183165146 833282532 /nfs/dbraw/zinc/28/25/32/833282532.db2.gz PFQVXLCKGIHQJN-RHSMWYFYSA-N 2 0 342.484 -0.273 20 0 EBADRP CN(CC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1)S(C)(=O)=O ZINC001183267249 833285071 /nfs/dbraw/zinc/28/50/71/833285071.db2.gz KOHGLRHTKRFDMJ-KGLIPLIRSA-N 2 0 346.497 -0.592 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001183576200 833295864 /nfs/dbraw/zinc/29/58/64/833295864.db2.gz FOKCJEQPALXGOK-GFCCVEGCSA-N 2 0 337.424 -0.752 20 0 EBADRP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001183611429 833296815 /nfs/dbraw/zinc/29/68/15/833296815.db2.gz OJKQUHDERAINOI-CQSZACIVSA-N 2 0 340.468 -0.377 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001183648239 833298218 /nfs/dbraw/zinc/29/82/18/833298218.db2.gz QSXDWPUBAWTDQX-ZIAGYGMSSA-N 2 0 346.497 -0.400 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127065738 828246462 /nfs/dbraw/zinc/24/64/62/828246462.db2.gz DQKGLGZXJXNCSJ-AWEZNQCLSA-N 2 0 328.457 -0.282 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127065739 828246603 /nfs/dbraw/zinc/24/66/03/828246603.db2.gz DQKGLGZXJXNCSJ-CQSZACIVSA-N 2 0 328.457 -0.282 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001127066879 828247141 /nfs/dbraw/zinc/24/71/41/828247141.db2.gz UISHZSNFJMGCFJ-HNNXBMFYSA-N 2 0 340.468 -0.140 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127066421 828247282 /nfs/dbraw/zinc/24/72/82/828247282.db2.gz NVTWGTWSGHZSBU-LBPRGKRZSA-N 2 0 327.429 -0.589 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127066420 828247592 /nfs/dbraw/zinc/24/75/92/828247592.db2.gz NVTWGTWSGHZSBU-GFCCVEGCSA-N 2 0 327.429 -0.589 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001127066880 828247615 /nfs/dbraw/zinc/24/76/15/828247615.db2.gz UISHZSNFJMGCFJ-OAHLLOKOSA-N 2 0 340.468 -0.140 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127081789 828248089 /nfs/dbraw/zinc/24/80/89/828248089.db2.gz BPEMGIAXKGEZQV-NEPJUHHUSA-N 2 0 327.429 -0.591 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127078147 828248791 /nfs/dbraw/zinc/24/87/91/828248791.db2.gz MVBOLUQNFOKNLV-LSDHHAIUSA-N 2 0 331.457 -0.411 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127254591 828268938 /nfs/dbraw/zinc/26/89/38/828268938.db2.gz GBJBIQSRJGXIDH-STQMWFEESA-N 2 0 332.470 -0.884 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127255709 828269504 /nfs/dbraw/zinc/26/95/04/828269504.db2.gz KYNYDDFNFIAJBS-LSDHHAIUSA-N 2 0 340.468 -0.281 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127256106 828270055 /nfs/dbraw/zinc/27/00/55/828270055.db2.gz MJRLMJQLUFDTNP-KBPBESRZSA-N 2 0 346.497 -0.494 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127256885 828270198 /nfs/dbraw/zinc/27/01/98/828270198.db2.gz TTWABIILLCTSDQ-CVEARBPZSA-N 2 0 340.468 -0.281 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2)NC[C@H]1CCOC1 ZINC001127481178 828298179 /nfs/dbraw/zinc/29/81/79/828298179.db2.gz QOLDNERUQJECEK-HIFRSBDPSA-N 2 0 338.452 -0.813 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127480514 828298240 /nfs/dbraw/zinc/29/82/40/828298240.db2.gz KNRXNOHCMRITPJ-GJZGRUSLSA-N 2 0 329.441 -0.942 20 0 EBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127562047 828302434 /nfs/dbraw/zinc/30/24/34/828302434.db2.gz ADJNYLUVZHLGPP-UHFFFAOYSA-N 2 0 338.456 -0.464 20 0 EBADRP COc1ccc(C[NH2+]CCNC(=O)c2ccn(CC[NH+](C)C)n2)nn1 ZINC001127575737 828303519 /nfs/dbraw/zinc/30/35/19/828303519.db2.gz AEUBZFADBVXTOG-UHFFFAOYSA-N 2 0 347.423 -0.237 20 0 EBADRP CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571671 828304161 /nfs/dbraw/zinc/30/41/61/828304161.db2.gz WYYMTERGZKENDM-HIFRSBDPSA-N 2 0 326.441 -0.815 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C)CC[N@@H+]1C ZINC001127643880 828309946 /nfs/dbraw/zinc/30/99/46/828309946.db2.gz PQTHORDLIRALIS-CHWSQXEVSA-N 2 0 334.486 -0.686 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC2(CS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001127639072 828310269 /nfs/dbraw/zinc/31/02/69/828310269.db2.gz TYZNYQWZISIVGB-CHWSQXEVSA-N 2 0 331.482 -0.143 20 0 EBADRP COc1ncc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C)n1 ZINC001127777695 828324838 /nfs/dbraw/zinc/32/48/38/828324838.db2.gz BFYCJIXQQKCSOI-HUUCEWRRSA-N 2 0 349.435 -0.137 20 0 EBADRP Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001127779556 828326738 /nfs/dbraw/zinc/32/67/38/828326738.db2.gz NXICVYJNOPFZQT-GJZGRUSLSA-N 2 0 336.440 -0.536 20 0 EBADRP CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779272 828326949 /nfs/dbraw/zinc/32/69/49/828326949.db2.gz KKMWJZYIBJNJIS-LSDHHAIUSA-N 2 0 338.452 -0.576 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC1CCCC1 ZINC001127778851 828327969 /nfs/dbraw/zinc/32/79/69/828327969.db2.gz GYFOAGRUXVURMZ-CABCVRRESA-N 2 0 338.452 -0.386 20 0 EBADRP Cc1noc(CCC[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001127779553 828328225 /nfs/dbraw/zinc/32/82/25/828328225.db2.gz NUOQTIYJDSGICD-UONOGXRCSA-N 2 0 337.424 -0.120 20 0 EBADRP CN(CCC(=O)NCC[NH2+]CC(=O)N1CCOCC1)c1cc[nH+]cc1 ZINC001130556395 828881656 /nfs/dbraw/zinc/88/16/56/828881656.db2.gz FMJOWQFKSLTJCV-UHFFFAOYSA-N 2 0 349.435 -0.528 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001130711649 828921129 /nfs/dbraw/zinc/92/11/29/828921129.db2.gz ZHLHLVUMUDKDLZ-CYBMUJFWSA-N 2 0 341.456 -0.342 20 0 EBADRP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130726110 828922790 /nfs/dbraw/zinc/92/27/90/828922790.db2.gz LMXBXMZIOWVZLT-OFQRWUPVSA-N 2 0 335.452 -0.098 20 0 EBADRP CC(C)(C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+]1CCCC1 ZINC001184806877 833340630 /nfs/dbraw/zinc/34/06/30/833340630.db2.gz JIPCENKQDAXBME-LLVKDONJSA-N 2 0 325.413 -0.754 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130867401 828983354 /nfs/dbraw/zinc/98/33/54/828983354.db2.gz CCNAGKFCAZWCFL-UHFFFAOYSA-N 2 0 333.392 -0.194 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001130943558 828999874 /nfs/dbraw/zinc/99/98/74/828999874.db2.gz BQJNCXSBZIYRHJ-MCIONIFRSA-N 2 0 348.451 -0.856 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C[NH2+]CCNS(C)(=O)=O ZINC001185083582 833346251 /nfs/dbraw/zinc/34/62/51/833346251.db2.gz GYIGQLVWAVKREK-ZIAGYGMSSA-N 2 0 348.513 -0.439 20 0 EBADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185381254 833357300 /nfs/dbraw/zinc/35/73/00/833357300.db2.gz OPTMBUKIRALPLW-ZIAGYGMSSA-N 2 0 340.468 -0.343 20 0 EBADRP C[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3cnccn3)C2)CC1 ZINC001185401613 833358089 /nfs/dbraw/zinc/35/80/89/833358089.db2.gz UWMKBDZREHDOEH-CQSZACIVSA-N 2 0 346.435 -0.053 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001185651086 833364809 /nfs/dbraw/zinc/36/48/09/833364809.db2.gz RBLLHPGBFSRRGU-ZIAGYGMSSA-N 2 0 346.497 -0.447 20 0 EBADRP COCCC[N@@H+]1CCNC(=O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131380898 829120875 /nfs/dbraw/zinc/12/08/75/829120875.db2.gz CGUUYRWBWUSULO-UHFFFAOYSA-N 2 0 328.457 -0.375 20 0 EBADRP Cc1nn(C)cc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519706 829151163 /nfs/dbraw/zinc/15/11/63/829151163.db2.gz JOCBISTZHVFCII-GNHJJJEISA-N 2 0 333.436 -0.202 20 0 EBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131521809 829153650 /nfs/dbraw/zinc/15/36/50/829153650.db2.gz IDZGDEDEXSFNJX-UUCFBXCCSA-N 2 0 338.452 -0.672 20 0 EBADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001185743501 833369156 /nfs/dbraw/zinc/36/91/56/833369156.db2.gz USRCPXCYNXSRAG-ARFHVFGLSA-N 2 0 343.468 -0.315 20 0 EBADRP C[C@H](O)C[NH2+]Cc1cn([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001185999457 833382205 /nfs/dbraw/zinc/38/22/05/833382205.db2.gz IIGWUGHLBLYEQI-ZFWWWQNUSA-N 2 0 338.456 -0.136 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC([C@H]2OCCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001186147916 833390359 /nfs/dbraw/zinc/39/03/59/833390359.db2.gz VRTKMUXARCWGRJ-RHSMWYFYSA-N 2 0 340.468 -0.201 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186311937 833396481 /nfs/dbraw/zinc/39/64/81/833396481.db2.gz XVNCBEOXOZNGTK-KBPBESRZSA-N 2 0 338.452 -0.589 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186481370 833403114 /nfs/dbraw/zinc/40/31/14/833403114.db2.gz NSOLOCQTDBHVBQ-ZDUSSCGKSA-N 2 0 326.441 -0.732 20 0 EBADRP C[NH+](C)CCCC(=O)N1C[C@@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186464931 833402843 /nfs/dbraw/zinc/40/28/43/833402843.db2.gz SCKHYUJAACEZDN-CQSZACIVSA-N 2 0 340.468 -0.342 20 0 EBADRP C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CCN1CCNC1=O ZINC001132277110 829405053 /nfs/dbraw/zinc/40/50/53/829405053.db2.gz AWICVNFKIFWNAU-UONOGXRCSA-N 2 0 325.457 -0.068 20 0 EBADRP CC(C)(C(=O)NCC[NH2+]CC(=O)Nc1cnccn1)[NH+]1CCCC1 ZINC001132283628 829405691 /nfs/dbraw/zinc/40/56/91/829405691.db2.gz ADLYGXUUONTMGS-UHFFFAOYSA-N 2 0 334.424 -0.005 20 0 EBADRP C[C@H]1CC[C@@H](NC(=O)COCC[NH+](C)C)C[N@@H+]1CCn1cncn1 ZINC001132426287 829454814 /nfs/dbraw/zinc/45/48/14/829454814.db2.gz VEJUXJFUDKDXOC-LSDHHAIUSA-N 2 0 338.456 -0.175 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+]C[C@H](O)COCCOC)C1 ZINC001132738356 829512240 /nfs/dbraw/zinc/51/22/40/829512240.db2.gz ZTKHYPRDCRAERB-CVEARBPZSA-N 2 0 345.484 -0.162 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132790076 829523779 /nfs/dbraw/zinc/52/37/79/829523779.db2.gz BYEZLYCUSCCSJY-CYBMUJFWSA-N 2 0 339.440 -0.316 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001132848186 829533256 /nfs/dbraw/zinc/53/32/56/829533256.db2.gz ANVKZERZIHYQMV-UONOGXRCSA-N 2 0 336.440 -0.420 20 0 EBADRP CC(C)[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132859113 829538898 /nfs/dbraw/zinc/53/88/98/829538898.db2.gz WMCWMFDMOMBRDV-LSDHHAIUSA-N 2 0 342.484 -0.038 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132883736 829544687 /nfs/dbraw/zinc/54/46/87/829544687.db2.gz WYJKHGWDQNXRKE-XQQFMLRXSA-N 2 0 341.456 -0.343 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)CC[N@@H+]1C ZINC001132886700 829544886 /nfs/dbraw/zinc/54/48/86/829544886.db2.gz RTQDEVXODUHCBD-KKUMJFAQSA-N 2 0 340.468 -0.282 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132893025 829545608 /nfs/dbraw/zinc/54/56/08/829545608.db2.gz HHELAFUROSSYGT-SRVKXCTJSA-N 2 0 327.429 -0.733 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)c1occc1C[NH+](C)C)C(=O)NC(N)=O ZINC001132985712 829567944 /nfs/dbraw/zinc/56/79/44/829567944.db2.gz OPBPCPVSOGZTQA-VIFPVBQESA-N 2 0 325.369 -0.756 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC001132995057 829569179 /nfs/dbraw/zinc/56/91/79/829569179.db2.gz KFRQPSSBYGBBHE-HUUCEWRRSA-N 2 0 343.468 -0.410 20 0 EBADRP C[NH+](C)CCCC(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001133042543 829578032 /nfs/dbraw/zinc/57/80/32/829578032.db2.gz IAJQZLNUZVEYCF-LLVKDONJSA-N 2 0 329.363 -0.026 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)CCC[NH+](C)C)C(=O)NC[C@H]1CCCO1 ZINC001133051845 829578886 /nfs/dbraw/zinc/57/88/86/829578886.db2.gz RJGOBZLGTBMTKG-ZIAGYGMSSA-N 2 0 328.457 -0.282 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C ZINC001133090275 829582392 /nfs/dbraw/zinc/58/23/92/829582392.db2.gz FPCYRZSVJCJKJI-CHWSQXEVSA-N 2 0 341.456 -0.532 20 0 EBADRP C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133310189 829619498 /nfs/dbraw/zinc/61/94/98/829619498.db2.gz LNLJVRHTZXZTON-STQMWFEESA-N 2 0 339.440 -0.649 20 0 EBADRP CC(C)[C@H](C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O)[NH+](C)C ZINC001133433943 829631196 /nfs/dbraw/zinc/63/11/96/829631196.db2.gz DXWSZCWTZCXXLW-CYBMUJFWSA-N 2 0 327.429 -0.780 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001186824895 833431938 /nfs/dbraw/zinc/43/19/38/833431938.db2.gz QDVCFGCWUWYQSQ-ZIAGYGMSSA-N 2 0 331.482 -0.047 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCCCOC)C1 ZINC001186824634 833432125 /nfs/dbraw/zinc/43/21/25/833432125.db2.gz CNSGAVBNNQZJGD-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)[NH+](CC)CC ZINC001133690947 829662118 /nfs/dbraw/zinc/66/21/18/829662118.db2.gz XHCVCWBPUWZZCI-GFCCVEGCSA-N 2 0 327.429 -0.636 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C)C(=O)Nc1ncccn1 ZINC001133819842 829679417 /nfs/dbraw/zinc/67/94/17/829679417.db2.gz PMXZJOXWLDLXSV-STQMWFEESA-N 2 0 334.424 -0.006 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133831509 829681176 /nfs/dbraw/zinc/68/11/76/829681176.db2.gz PHZITWCCHPKKJB-NWDGAFQWSA-N 2 0 327.429 -0.589 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133834260 829682066 /nfs/dbraw/zinc/68/20/66/829682066.db2.gz SHWBMVZHFAKMKB-STQMWFEESA-N 2 0 341.456 -0.201 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)Nc1ncccn1 ZINC001133845733 829685492 /nfs/dbraw/zinc/68/54/92/829685492.db2.gz MMPAUCPESXWVGG-OLZOCXBDSA-N 2 0 334.424 -0.149 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001133846350 829685594 /nfs/dbraw/zinc/68/55/94/829685594.db2.gz ZGLQBBCXGXCKRW-KBPBESRZSA-N 2 0 326.441 -0.671 20 0 EBADRP CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133851058 829687510 /nfs/dbraw/zinc/68/75/10/829687510.db2.gz VYOUUTBYIJJGEE-HUUCEWRRSA-N 2 0 342.484 -0.035 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCc1nnnn1CC(F)(F)F ZINC001133861994 829688636 /nfs/dbraw/zinc/68/86/36/829688636.db2.gz AEOICLCHXSJZEE-UWVGGRQHSA-N 2 0 349.361 -0.361 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001133867457 829689434 /nfs/dbraw/zinc/68/94/34/829689434.db2.gz VCFZKLRVMSGRJL-NWDGAFQWSA-N 2 0 339.440 -0.780 20 0 EBADRP CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133867202 829689778 /nfs/dbraw/zinc/68/97/78/829689778.db2.gz RODZIQMVVXQAAW-CABCVRRESA-N 2 0 342.484 -0.179 20 0 EBADRP Cc1n[nH]c(C)c1NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133865795 829690176 /nfs/dbraw/zinc/69/01/76/829690176.db2.gz GSBPURUSWNJWHQ-ZWNOBZJWSA-N 2 0 336.440 -0.131 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133894249 829695574 /nfs/dbraw/zinc/69/55/74/829695574.db2.gz ZSKOVQWJRXRUTP-UHFFFAOYSA-N 2 0 328.457 -0.423 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NCC(C)C)[NH+](C)C ZINC001133968116 829707836 /nfs/dbraw/zinc/70/78/36/829707836.db2.gz OGSFFZKWOOIAOU-OLZOCXBDSA-N 2 0 343.472 -0.097 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C ZINC001133968341 829708012 /nfs/dbraw/zinc/70/80/12/829708012.db2.gz VNLNGCNARZEIPH-LBPRGKRZSA-N 2 0 329.445 -0.342 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1)C(=O)NC(N)=O ZINC001134759550 829840117 /nfs/dbraw/zinc/84/01/17/829840117.db2.gz SMGIUNGFZORQGJ-RYUDHWBXSA-N 2 0 327.429 -0.460 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001134758993 829840362 /nfs/dbraw/zinc/84/03/62/829840362.db2.gz DVAKEWGESIWIGL-CQSZACIVSA-N 2 0 348.513 -0.104 20 0 EBADRP C[NH+]1CCC(CC(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)CC1 ZINC001134780612 829845422 /nfs/dbraw/zinc/84/54/22/829845422.db2.gz ODINHBGBKOIHBU-OAHLLOKOSA-N 2 0 340.468 -0.281 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)N1CCOCC1 ZINC001135095201 829897262 /nfs/dbraw/zinc/89/72/62/829897262.db2.gz AHHBSXLWXFICCZ-CABCVRRESA-N 2 0 338.452 -0.432 20 0 EBADRP O=C(NCC[NH2+]CCN1C(=O)CCC1=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135102992 829898030 /nfs/dbraw/zinc/89/80/30/829898030.db2.gz RUGHVKZNXDDXHV-KGLIPLIRSA-N 2 0 336.436 -0.142 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135096072 829898524 /nfs/dbraw/zinc/89/85/24/829898524.db2.gz ZWCUEZQMPFQZFP-OLZOCXBDSA-N 2 0 339.440 -0.445 20 0 EBADRP CCCCNC(=O)C[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135115039 829900281 /nfs/dbraw/zinc/90/02/81/829900281.db2.gz USAMJFHLDZYRMP-UHFFFAOYSA-N 2 0 338.456 -0.320 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135298770 829941499 /nfs/dbraw/zinc/94/14/99/829941499.db2.gz OZZADHXQPLAGQG-STQMWFEESA-N 2 0 348.513 -0.250 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135298767 829941641 /nfs/dbraw/zinc/94/16/41/829941641.db2.gz OZZADHXQPLAGQG-CHWSQXEVSA-N 2 0 348.513 -0.250 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)CC[NH+](C)C ZINC001135371225 829955299 /nfs/dbraw/zinc/95/52/99/829955299.db2.gz DUHNHGKZLMHYLF-NWDGAFQWSA-N 2 0 327.429 -0.637 20 0 EBADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC)C(C)C ZINC001135478250 829974827 /nfs/dbraw/zinc/97/48/27/829974827.db2.gz YPJYNHSQLKQPRQ-CYBMUJFWSA-N 2 0 329.445 -0.486 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CC1CC[NH+](C)CC1 ZINC001135612910 829994130 /nfs/dbraw/zinc/99/41/30/829994130.db2.gz BDZVYGQPFYUISI-NWDGAFQWSA-N 2 0 341.456 -0.214 20 0 EBADRP CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135651417 829998529 /nfs/dbraw/zinc/99/85/29/829998529.db2.gz KXRBMLBHCUFYAI-QWHCGFSZSA-N 2 0 338.456 -0.323 20 0 EBADRP CC1CC[NH+](CC(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)CC1 ZINC001135688364 830008803 /nfs/dbraw/zinc/00/88/03/830008803.db2.gz NILYBSIZVWHSBC-UHFFFAOYSA-N 2 0 339.440 -0.588 20 0 EBADRP CC1CC[NH+](CC(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)CC1 ZINC001135688546 830009072 /nfs/dbraw/zinc/00/90/72/830009072.db2.gz VMHFOXYEKZLPRR-OAHLLOKOSA-N 2 0 340.468 -0.281 20 0 EBADRP CC1CC[NH+](CC(=O)NCC[NH2+]CC(=O)N2CCO[C@H](C)C2)CC1 ZINC001135702759 830013583 /nfs/dbraw/zinc/01/35/83/830013583.db2.gz QVZMHGNLDIXZBP-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001135744160 830018710 /nfs/dbraw/zinc/01/87/10/830018710.db2.gz XATKWROGWOZOCL-NWDGAFQWSA-N 2 0 329.445 -0.343 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001135861406 830035738 /nfs/dbraw/zinc/03/57/38/830035738.db2.gz QJZCSCWZPJNTJT-NEPJUHHUSA-N 2 0 329.445 -0.343 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001135858117 830035837 /nfs/dbraw/zinc/03/58/37/830035837.db2.gz SWDPILZBHGUOAR-RYUDHWBXSA-N 2 0 326.445 -0.177 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CCS(C)(=O)=O)NC(=O)COCC[NH+](C)C ZINC001135924629 830047215 /nfs/dbraw/zinc/04/72/15/830047215.db2.gz ULJIDWRPWQDZLB-CHWSQXEVSA-N 2 0 337.486 -0.518 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]Cc1nnnn1C)NC(=O)COCC[NH+](C)C ZINC001135925107 830047750 /nfs/dbraw/zinc/04/77/50/830047750.db2.gz YILZZRPRZQVIQJ-RYUDHWBXSA-N 2 0 327.433 -0.839 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001135952466 830050179 /nfs/dbraw/zinc/05/01/79/830050179.db2.gz CUXFCFWXHWOFQX-CHWSQXEVSA-N 2 0 346.497 -0.496 20 0 EBADRP CC(C)[C@@H](C)NC(=O)C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135959239 830051516 /nfs/dbraw/zinc/05/15/16/830051516.db2.gz MSUIZSYOCWFUHA-CQSZACIVSA-N 2 0 342.484 -0.036 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001135977018 830055712 /nfs/dbraw/zinc/05/57/12/830055712.db2.gz PLEUUXQHMMNMIA-NEPJUHHUSA-N 2 0 326.445 -0.177 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001135979494 830056047 /nfs/dbraw/zinc/05/60/47/830056047.db2.gz GVIHPBXJZYOHOM-CHWSQXEVSA-N 2 0 336.502 -0.250 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001211269410 837420522 /nfs/dbraw/zinc/42/05/22/837420522.db2.gz QLECOPCWHBBQTL-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211286140 837421849 /nfs/dbraw/zinc/42/18/49/837421849.db2.gz TYMBHHTYJWWBNC-CVEARBPZSA-N 2 0 345.484 -0.069 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211284531 837422004 /nfs/dbraw/zinc/42/20/04/837422004.db2.gz MHELSYPUKJANAL-OLZOCXBDSA-N 2 0 341.456 -0.249 20 0 EBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)CN(C)C(N)=[NH2+])CC[C@@H]2C1 ZINC001144132353 830159512 /nfs/dbraw/zinc/15/95/12/830159512.db2.gz NVPXNSTYAAYDGE-CHWSQXEVSA-N 2 0 327.429 -0.993 20 0 EBADRP CC(C)(C)OC(=O)NCC(=O)NCC(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001146245675 830186576 /nfs/dbraw/zinc/18/65/76/830186576.db2.gz OHERTXZUZBWBBL-UHFFFAOYSA-N 2 0 344.416 -0.912 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CC(=O)N1CCOCC1)NC(=O)C[NH+]1CCCC1 ZINC001146340465 830193700 /nfs/dbraw/zinc/19/37/00/830193700.db2.gz QDZPBYYQAWDABL-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001146392644 830195711 /nfs/dbraw/zinc/19/57/11/830195711.db2.gz XUGIEDWBFUFWJW-UHFFFAOYSA-N 2 0 339.440 -0.636 20 0 EBADRP CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[N@H+](C)CC ZINC001146711354 830222616 /nfs/dbraw/zinc/22/26/16/830222616.db2.gz QNZBLQOLQHDSNY-AWEZNQCLSA-N 2 0 330.473 -0.035 20 0 EBADRP CC[N@H+](C)[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)c1ccccc1 ZINC001147466813 830348101 /nfs/dbraw/zinc/34/81/01/830348101.db2.gz XFMUUWRMVOUPBF-JSGCOSHPSA-N 2 0 349.435 -0.031 20 0 EBADRP CC[N@H+](C)[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC)c1ccccc1 ZINC001147461567 830349223 /nfs/dbraw/zinc/34/92/23/830349223.db2.gz ZZULQSJJYWUSAR-OAHLLOKOSA-N 2 0 349.435 -0.159 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147836215 830418696 /nfs/dbraw/zinc/41/86/96/830418696.db2.gz ZKMDEAGADXUJNP-KBPBESRZSA-N 2 0 348.513 -0.248 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]CC2(CS(C)(=O)=O)CC2)C1 ZINC001147885907 830425758 /nfs/dbraw/zinc/42/57/58/830425758.db2.gz QKUPGLUEJDGFNC-CYBMUJFWSA-N 2 0 331.482 -0.141 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001147885969 830426358 /nfs/dbraw/zinc/42/63/58/830426358.db2.gz QRANKUDOSPVAKO-KGLIPLIRSA-N 2 0 346.497 -0.685 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147885803 830426604 /nfs/dbraw/zinc/42/66/04/830426604.db2.gz PEBYGPSIYQZJOG-ZDUSSCGKSA-N 2 0 334.486 -0.637 20 0 EBADRP Cc1n[nH]c(C)c1NC(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147892458 830427239 /nfs/dbraw/zinc/42/72/39/830427239.db2.gz IHWFXDNRKNQDKO-UHFFFAOYSA-N 2 0 340.428 -0.751 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001147899902 830428484 /nfs/dbraw/zinc/42/84/84/830428484.db2.gz BYOJPHGMNIEXPK-HUUCEWRRSA-N 2 0 343.468 -0.410 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900265 830428556 /nfs/dbraw/zinc/42/85/56/830428556.db2.gz KYWWBDRMGRTRJG-ZDUSSCGKSA-N 2 0 341.456 -0.340 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900878 830428575 /nfs/dbraw/zinc/42/85/75/830428575.db2.gz XSWVXBNQKIKFPE-OLZOCXBDSA-N 2 0 341.456 -0.343 20 0 EBADRP C[NH+]1CCN(c2cccc(-c3noc(C[C@@H]([NH3+])C(N)=O)n3)c2)CC1 ZINC001211591233 837450326 /nfs/dbraw/zinc/45/03/26/837450326.db2.gz NXULBXHPCZNHQG-CYBMUJFWSA-N 2 0 330.392 -0.157 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001148051964 830443958 /nfs/dbraw/zinc/44/39/58/830443958.db2.gz YZVKMBFLVVHZQW-ZDUSSCGKSA-N 2 0 349.435 -0.550 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001148051781 830444114 /nfs/dbraw/zinc/44/41/14/830444114.db2.gz VCGCOZKKWMSMJX-UHFFFAOYSA-N 2 0 348.407 -0.545 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001148057787 830444984 /nfs/dbraw/zinc/44/49/84/830444984.db2.gz KUXQRDOBIGQCDK-UHFFFAOYSA-N 2 0 329.426 -0.984 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC2(C1)CC[NH+](CCOCCO)C2 ZINC001148291698 830464920 /nfs/dbraw/zinc/46/49/20/830464920.db2.gz BBOUMYDENRDYQY-HUUCEWRRSA-N 2 0 325.453 -0.273 20 0 EBADRP C[NH+](C)CCCCC(=O)NCC[NH2+]CC(=O)Nc1nncs1 ZINC001148360016 830475858 /nfs/dbraw/zinc/47/58/58/830475858.db2.gz KMMNYKMYHUJTAC-UHFFFAOYSA-N 2 0 328.442 -0.086 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)Nc1nncs1 ZINC001148570398 830509575 /nfs/dbraw/zinc/50/95/75/830509575.db2.gz CRUCPKUSTBVISU-UHFFFAOYSA-N 2 0 328.442 -0.086 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NCC ZINC001148571088 830509635 /nfs/dbraw/zinc/50/96/35/830509635.db2.gz VTWZJFRZEZLVSJ-GFCCVEGCSA-N 2 0 329.445 -0.342 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001148577741 830512026 /nfs/dbraw/zinc/51/20/26/830512026.db2.gz BAQOMMFIRTUPKJ-CQSZACIVSA-N 2 0 328.457 -0.423 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC001148639004 830523578 /nfs/dbraw/zinc/52/35/78/830523578.db2.gz XEQCGOJCLJBUGG-UHFFFAOYSA-N 2 0 341.456 -0.198 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CC[NH+](CCNC(=O)C2CC2)C3)C1 ZINC001148748277 830535934 /nfs/dbraw/zinc/53/59/34/830535934.db2.gz NFVDDRUJDCDPRN-HNNXBMFYSA-N 2 0 334.464 -0.001 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCOCCO)CCCO1 ZINC001149399346 830657040 /nfs/dbraw/zinc/65/70/40/830657040.db2.gz SBYBNRNJMAZSGD-LSDHHAIUSA-N 2 0 329.441 -0.703 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CCOCCO)CCCO1)[NH+](C)C ZINC001149881633 830774686 /nfs/dbraw/zinc/77/46/86/830774686.db2.gz QSLOTFJNEIWJBL-CVEARBPZSA-N 2 0 345.484 -0.211 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1C[NH+](CCOCCO)CCCO1 ZINC001149936360 830785313 /nfs/dbraw/zinc/78/53/13/830785313.db2.gz CVIKIWVSSBTBRB-HNNXBMFYSA-N 2 0 345.484 -0.067 20 0 EBADRP O=C(CCn1ccnc1)NC[C@H]1C[N@H+](CCOCCO)CCCO1 ZINC001150052810 830806029 /nfs/dbraw/zinc/80/60/29/830806029.db2.gz AWKSLXWMKSXGNU-HNNXBMFYSA-N 2 0 340.424 -0.511 20 0 EBADRP C[C@H](COCC(=O)NC[C@H]1C[N@H+](CCO)CCCO1)[NH+]1CCCC1 ZINC001150334337 830867051 /nfs/dbraw/zinc/86/70/51/830867051.db2.gz VCOULKFBIGOSPM-CVEARBPZSA-N 2 0 343.468 -0.313 20 0 EBADRP C[C@@H](O)CCC[N@@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150589490 830940100 /nfs/dbraw/zinc/94/01/00/830940100.db2.gz UNCKCXIVRYBBSJ-CVEARBPZSA-N 2 0 345.484 -0.067 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001150589892 830940448 /nfs/dbraw/zinc/94/04/48/830940448.db2.gz XEEPYFFVCRFAHM-LSDHHAIUSA-N 2 0 341.452 -0.703 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC001151064396 831017433 /nfs/dbraw/zinc/01/74/33/831017433.db2.gz BFJWGJJMPWMGOM-WDEREUQCSA-N 2 0 336.358 -0.193 20 0 EBADRP COc1ccc(CNC(=O)C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001151065223 831019227 /nfs/dbraw/zinc/01/92/27/831019227.db2.gz IOODNXSVIDRXKJ-HNNXBMFYSA-N 2 0 348.447 -0.031 20 0 EBADRP COc1ccccc1CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151065472 831019469 /nfs/dbraw/zinc/01/94/69/831019469.db2.gz JYPXGYHGVBTFLY-OAHLLOKOSA-N 2 0 348.447 -0.031 20 0 EBADRP CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151072924 831019519 /nfs/dbraw/zinc/01/95/19/831019519.db2.gz AKOWDJDKFHQVAN-UONOGXRCSA-N 2 0 328.457 -0.425 20 0 EBADRP CCCn1nccc1NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151066800 831019817 /nfs/dbraw/zinc/01/98/17/831019817.db2.gz YXIGWHMHNNIDQO-CYBMUJFWSA-N 2 0 336.440 -0.111 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001151064930 831020090 /nfs/dbraw/zinc/02/00/90/831020090.db2.gz FZIFOOPWBQOKAW-UONOGXRCSA-N 2 0 329.441 -0.800 20 0 EBADRP CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151066332 831020109 /nfs/dbraw/zinc/02/01/09/831020109.db2.gz SSHUFQBRGLWWDK-STQMWFEESA-N 2 0 341.456 -0.486 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151073468 831021976 /nfs/dbraw/zinc/02/19/76/831021976.db2.gz LWJRKHICVWVBBB-NWDGAFQWSA-N 2 0 327.429 -0.733 20 0 EBADRP O=C(C[NH2+]CCNC(=O)C[NH+]1CCCC1)NC(=O)NC1CCCC1 ZINC001151096830 831024783 /nfs/dbraw/zinc/02/47/83/831024783.db2.gz HBDKXUCELVLOAM-UHFFFAOYSA-N 2 0 339.440 -0.444 20 0 EBADRP O=C(C[NH+]1CCCC1)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001151101054 831026216 /nfs/dbraw/zinc/02/62/16/831026216.db2.gz KCYUMNWEPNAMJU-AWEZNQCLSA-N 2 0 329.441 -0.656 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001151152943 831033037 /nfs/dbraw/zinc/03/30/37/831033037.db2.gz YIUNQYRNESZNDP-CQSZACIVSA-N 2 0 336.436 -0.441 20 0 EBADRP CC(C)NC(=O)NCC[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151157497 831034138 /nfs/dbraw/zinc/03/41/38/831034138.db2.gz MALUCTVYAGYMQV-AWEZNQCLSA-N 2 0 343.472 -0.632 20 0 EBADRP CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151156987 831035395 /nfs/dbraw/zinc/03/53/95/831035395.db2.gz IQDJSSLPUIXXNP-CABCVRRESA-N 2 0 342.484 -0.179 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]C[C@H](O)CC(F)(F)F ZINC001151160021 831036130 /nfs/dbraw/zinc/03/61/30/831036130.db2.gz WRQCUFBNDVTPID-VXGBXAGGSA-N 2 0 341.374 -0.026 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001151160679 831036226 /nfs/dbraw/zinc/03/62/26/831036226.db2.gz XNFLFGCPPYKYTI-HUUCEWRRSA-N 2 0 340.468 -0.423 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001152145616 831133985 /nfs/dbraw/zinc/13/39/85/831133985.db2.gz CMTNGOHHBIJMLC-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001152145819 831134089 /nfs/dbraw/zinc/13/40/89/831134089.db2.gz DZECDCDUCLCCKC-BETUJISGSA-N 2 0 334.486 -0.544 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152222689 831143344 /nfs/dbraw/zinc/14/33/44/831143344.db2.gz AUOTUTQFGGDOJE-CYBMUJFWSA-N 2 0 341.456 -0.198 20 0 EBADRP C[NH+](C)Cc1cccc(C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)c1 ZINC001152246285 831144497 /nfs/dbraw/zinc/14/44/97/831144497.db2.gz WKDURZLOOXQHLE-CQSZACIVSA-N 2 0 332.404 -0.127 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152340340 831154094 /nfs/dbraw/zinc/15/40/94/831154094.db2.gz MFUDVPAWSHVWMT-ZDUSSCGKSA-N 2 0 341.456 -0.198 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152339828 831154181 /nfs/dbraw/zinc/15/41/81/831154181.db2.gz CDITVCRUDDWNRL-UHFFFAOYSA-N 2 0 341.456 -0.196 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)CC[NH+]2CCCCC2)CCO1 ZINC001152347835 831154361 /nfs/dbraw/zinc/15/43/61/831154361.db2.gz IHIYURMQFWEZMS-HNNXBMFYSA-N 2 0 340.468 -0.185 20 0 EBADRP CC[N@H+](CCN1CCNC1=O)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152392811 831157048 /nfs/dbraw/zinc/15/70/48/831157048.db2.gz UXXNALXPZTVWRO-KGLIPLIRSA-N 2 0 325.457 -0.068 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001152445268 831163254 /nfs/dbraw/zinc/16/32/54/831163254.db2.gz GHMGPDIZRWKFRO-UHFFFAOYSA-N 2 0 327.429 -0.637 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152470931 831165449 /nfs/dbraw/zinc/16/54/49/831165449.db2.gz GCWHZBZCISXWHF-QWHCGFSZSA-N 2 0 341.456 -0.343 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)[NH+]1CCCC1 ZINC001152464326 831165761 /nfs/dbraw/zinc/16/57/61/831165761.db2.gz KVMMIJABSRGNFR-ZDUSSCGKSA-N 2 0 334.486 -0.638 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)Nc1ncccn1 ZINC001155791269 831429776 /nfs/dbraw/zinc/42/97/76/831429776.db2.gz UXUXCOQCEIJGPB-OLZOCXBDSA-N 2 0 334.424 -0.006 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001155812927 831432339 /nfs/dbraw/zinc/43/23/39/831432339.db2.gz QJUMBLYFUSPBIQ-KGLIPLIRSA-N 2 0 346.497 -0.542 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001155814763 831433329 /nfs/dbraw/zinc/43/33/29/831433329.db2.gz ZQDAUGFCRCDGLF-LBPRGKRZSA-N 2 0 341.456 -0.199 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155822158 831433925 /nfs/dbraw/zinc/43/39/25/831433925.db2.gz JXTOAEXBDVUALF-ZIAGYGMSSA-N 2 0 328.457 -0.282 20 0 EBADRP CC[N@H+](CCOCCO)[C@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001156907969 831514667 /nfs/dbraw/zinc/51/46/67/831514667.db2.gz OPJVOZJGARYTSJ-JKSUJKDBSA-N 2 0 345.484 -0.210 20 0 EBADRP CC[N@H+](CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157114188 831536031 /nfs/dbraw/zinc/53/60/31/831536031.db2.gz SPJSDSFSGYODSU-CYBMUJFWSA-N 2 0 341.456 -0.295 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)[C@@H]1C[NH2+]CC[C@H]1O)C(=O)N1CCCC1 ZINC001157369876 831561344 /nfs/dbraw/zinc/56/13/44/831561344.db2.gz YYKDCPHEPYSUMR-HZSPNIEDSA-N 2 0 326.441 -0.807 20 0 EBADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157380151 831563022 /nfs/dbraw/zinc/56/30/22/831563022.db2.gz XERBGXXUKUESOS-AVGNSLFASA-N 2 0 341.456 -0.926 20 0 EBADRP C[NH+](C)C1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001157689236 831585124 /nfs/dbraw/zinc/58/51/24/831585124.db2.gz QFEFGSWBZFUCGI-KBPBESRZSA-N 2 0 340.468 -0.108 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158040066 831622661 /nfs/dbraw/zinc/62/26/61/831622661.db2.gz VKOMZIWYLGISOT-RYUDHWBXSA-N 2 0 325.413 -0.848 20 0 EBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158076359 831624894 /nfs/dbraw/zinc/62/48/94/831624894.db2.gz GGNFYRYZWQJDMN-AWEZNQCLSA-N 2 0 326.441 -0.399 20 0 EBADRP [NH3+]C1CC2(C1)CCN(C(=O)[C@@H]1CCS(=O)(=O)C13C[NH2+]C3)CC2 ZINC001158083176 831625845 /nfs/dbraw/zinc/62/58/45/831625845.db2.gz XWQIGZPKTJNYJG-LBPRGKRZSA-N 2 0 327.450 -0.507 20 0 EBADRP O=C(C[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158093471 831627029 /nfs/dbraw/zinc/62/70/29/831627029.db2.gz VMDSPFRTWCVRHZ-JQFCIGGWSA-N 2 0 336.436 -0.774 20 0 EBADRP C[C@@H](OCc1ccccc1)[C@H]([NH3+])C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102655 831628320 /nfs/dbraw/zinc/62/83/20/831628320.db2.gz UXIOYAKGOWOUCM-RPVQJOFSSA-N 2 0 346.431 -0.391 20 0 EBADRP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158121721 831630880 /nfs/dbraw/zinc/63/08/80/831630880.db2.gz WOKAIMPKHNADEB-KXBFYZLASA-N 2 0 340.427 -0.361 20 0 EBADRP O=C(c1cccc2c1C[NH2+]CC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120932 831631215 /nfs/dbraw/zinc/63/12/15/831631215.db2.gz VVHNHBONCSVBRH-LJQANCHMSA-N 2 0 340.427 -0.116 20 0 EBADRP O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCC2(CCC[NH2+]2)CC1 ZINC001158168569 831634958 /nfs/dbraw/zinc/63/49/58/831634958.db2.gz IDVMOOFLLSONOO-ZDUSSCGKSA-N 2 0 345.451 -0.331 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158180493 831636993 /nfs/dbraw/zinc/63/69/93/831636993.db2.gz XVTJPXVZZACSRW-OWCLPIDISA-N 2 0 346.431 -0.881 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)N1CCOCC1 ZINC001158197036 831638819 /nfs/dbraw/zinc/63/88/19/831638819.db2.gz QZPDYMXAWQQKMG-HNNXBMFYSA-N 2 0 338.452 -0.717 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158208306 831639929 /nfs/dbraw/zinc/63/99/29/831639929.db2.gz PSOVIEGTQHVUPY-XQLPTFJDSA-N 3 0 337.468 -0.604 20 0 EBADRP [NH3+][C@H]1CCN(C2CCN(c3ccc(N4CC[NH2+]CC4)nn3)CC2)C1 ZINC001158258677 831640884 /nfs/dbraw/zinc/64/08/84/831640884.db2.gz GICAILUAEAVLSM-AWEZNQCLSA-N 2 0 331.468 -0.112 20 0 EBADRP O=C([C@H]1C[C@H]2C[NH2+]C[C@H]2C1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158261120 831641858 /nfs/dbraw/zinc/64/18/58/831641858.db2.gz KRBKLGMTGQOGBZ-ZSOGYDGISA-N 2 0 330.436 -0.055 20 0 EBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158262978 831641967 /nfs/dbraw/zinc/64/19/67/831641967.db2.gz XASIIRUQWSVQMT-INIZCTEOSA-N 2 0 334.424 -0.796 20 0 EBADRP Cn1cc(C[NH2+]CCCNC(=O)c2ccn(CC[NH+](C)C)n2)nn1 ZINC001158288549 831643718 /nfs/dbraw/zinc/64/37/18/831643718.db2.gz WRBCBHGYOQDVFH-UHFFFAOYSA-N 2 0 334.428 -0.517 20 0 EBADRP O=C(c1n[nH]c2c1CC[NH2+]C2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158284986 831643883 /nfs/dbraw/zinc/64/38/83/831643883.db2.gz GWCLGRJEGVEDMD-UHFFFAOYSA-N 2 0 342.407 -0.618 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)c1ccn(CC[NH+](C)C)n1)c1nnnn1C ZINC001158287468 831644091 /nfs/dbraw/zinc/64/40/91/831644091.db2.gz FHCNISZVLZOGTA-LBPRGKRZSA-N 2 0 349.443 -0.561 20 0 EBADRP O=C(c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158429798 831654548 /nfs/dbraw/zinc/65/45/48/831654548.db2.gz BIKXKHUPRGSOEW-QEJZJMRPSA-N 2 0 342.403 -0.033 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CCN2CCCS2(=O)=O)CC[N@@H+]1C ZINC001158428803 831654601 /nfs/dbraw/zinc/65/46/01/831654601.db2.gz TUOWZRMWGZFBII-ZIAGYGMSSA-N 2 0 346.497 -0.542 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158449514 831655793 /nfs/dbraw/zinc/65/57/93/831655793.db2.gz BVPDVUYJQHYURM-CHWSQXEVSA-N 2 0 341.456 -0.166 20 0 EBADRP Cn1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1=O ZINC001158486055 831658494 /nfs/dbraw/zinc/65/84/94/831658494.db2.gz DKUAMMHXANNMPL-HOTGVXAUSA-N 2 0 348.447 -0.156 20 0 EBADRP COc1nccc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001158486665 831659766 /nfs/dbraw/zinc/65/97/66/831659766.db2.gz QLLDWMVESXXLDT-HUUCEWRRSA-N 2 0 349.435 -0.056 20 0 EBADRP CC(C)CNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158506172 831662022 /nfs/dbraw/zinc/66/20/22/831662022.db2.gz IHKAPQGNGWDOEB-LSDHHAIUSA-N 2 0 340.468 -0.282 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)c1ncn2c1C[NH2+]CC2 ZINC001158506340 831662028 /nfs/dbraw/zinc/66/20/28/831662028.db2.gz MWTMSOVGDUJVGC-SDDRHHMPSA-N 2 0 333.392 -0.648 20 0 EBADRP O=C([C@@H]1CNC(=O)C12CC[NH2+]CC2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158533266 831663323 /nfs/dbraw/zinc/66/33/23/831663323.db2.gz JIBPUNPHXKCVRW-MOROJQBDSA-N 2 0 348.447 -0.918 20 0 EBADRP O=C([C@@H]1C[NH2+]Cc2ccnn2C1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158534835 831664369 /nfs/dbraw/zinc/66/43/69/831664369.db2.gz UPUJKCJKEGSTOH-IARIHHJXSA-N 2 0 331.420 -0.418 20 0 EBADRP [NH3+][C@H]1CCCCN(CC(=O)N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)C1=O ZINC001158577298 831667022 /nfs/dbraw/zinc/66/70/22/831667022.db2.gz HDBYUIWPVCSGCT-AVGNSLFASA-N 2 0 326.416 -0.138 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(c1ncnc3c1CC[NH2+]CC3)CC2 ZINC001158636394 831672320 /nfs/dbraw/zinc/67/23/20/831672320.db2.gz KYYKIEMYENCLLD-RHSMWYFYSA-N 2 0 331.420 -0.104 20 0 EBADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158657793 831675249 /nfs/dbraw/zinc/67/52/49/831675249.db2.gz GHFWRNHJDNMWAL-JSGCOSHPSA-N 2 0 344.375 -0.634 20 0 EBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158658529 831676859 /nfs/dbraw/zinc/67/68/59/831676859.db2.gz LFYILCGRDONEQS-JQWIXIFHSA-N 2 0 343.391 -0.810 20 0 EBADRP CC(C)N(C(=O)[C@@]1(N)CCC[NH2+]C1)c1ncnc2c1CC[NH2+]CC2 ZINC001158759023 831684159 /nfs/dbraw/zinc/68/41/59/831684159.db2.gz ICKXUZVXMQHKFW-QGZVFWFLSA-N 2 0 332.452 -0.013 20 0 EBADRP CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)C2 ZINC001158790434 831686618 /nfs/dbraw/zinc/68/66/18/831686618.db2.gz LWLHYZHYBULMJS-PBFPGSCMSA-N 2 0 348.451 -0.431 20 0 EBADRP CC(C)[N@H+](C)Cc1[nH]nc2c1CCN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001158856411 831691525 /nfs/dbraw/zinc/69/15/25/831691525.db2.gz PMSHTQGXQTXCRM-AWEZNQCLSA-N 3 0 346.479 -0.056 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158934970 831696659 /nfs/dbraw/zinc/69/66/59/831696659.db2.gz LZSPXOYTBNBOIF-RBSFLKMASA-N 2 0 331.420 -0.150 20 0 EBADRP Cn1nnc2c1CCN(C(=O)C1([NH3+])CC1)[C@@H]2COCC[NH+]1CCCC1 ZINC001159125629 831710008 /nfs/dbraw/zinc/71/00/08/831710008.db2.gz XAGFPQTVVNKTES-CQSZACIVSA-N 2 0 348.451 -0.155 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001159155995 831712438 /nfs/dbraw/zinc/71/24/38/831712438.db2.gz ZOOTYAUZCMGRDL-NEPJUHHUSA-N 2 0 347.435 -0.394 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159161496 831713797 /nfs/dbraw/zinc/71/37/97/831713797.db2.gz ZGFAWSYJLXGQAY-OAHLLOKOSA-N 3 0 334.468 -0.070 20 0 EBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)C1CC[NH2+]CC1)CC2 ZINC001159189293 831716532 /nfs/dbraw/zinc/71/65/32/831716532.db2.gz COBYNGAHVYIYCW-UHFFFAOYSA-N 2 0 349.435 -0.150 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001159356379 831744697 /nfs/dbraw/zinc/74/46/97/831744697.db2.gz YEPADNBCVVSNLR-NWDGAFQWSA-N 2 0 327.429 -0.460 20 0 EBADRP CCOC[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)Cc2cnn(C)c21 ZINC001159393693 831748533 /nfs/dbraw/zinc/74/85/33/831748533.db2.gz IJRGYJSMOVPHFX-UONOGXRCSA-N 2 0 333.436 -0.309 20 0 EBADRP Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C3)n1 ZINC001159471931 831754902 /nfs/dbraw/zinc/75/49/02/831754902.db2.gz LTTQKJHIOIEYJR-XJKCOSOUSA-N 2 0 335.408 -0.569 20 0 EBADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)C2 ZINC001159481171 831756003 /nfs/dbraw/zinc/75/60/03/831756003.db2.gz IMGJTPARWCDUOP-MUQADHOPSA-N 2 0 337.464 -0.084 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001159514552 831758016 /nfs/dbraw/zinc/75/80/16/831758016.db2.gz GGDOBCQXMNMNKT-ZDUSSCGKSA-N 2 0 346.439 -0.289 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC001159644352 831768939 /nfs/dbraw/zinc/76/89/39/831768939.db2.gz UKPASTQPCKKXQN-HNNXBMFYSA-N 2 0 345.451 -0.031 20 0 EBADRP [NH3+]CCC[NH2+]CC(=O)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC001159643846 831768958 /nfs/dbraw/zinc/76/89/58/831768958.db2.gz PVLHBHSJDGBEQM-UHFFFAOYSA-N 2 0 331.424 -0.549 20 0 EBADRP N[C@@H](CC[NH3+])C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159667861 831771597 /nfs/dbraw/zinc/77/15/97/831771597.db2.gz VKQCCWHGXBRYEV-XHSDSOJGSA-N 2 0 333.436 -0.441 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159667133 831771870 /nfs/dbraw/zinc/77/18/70/831771870.db2.gz SSZDKODIQXXCLR-ULQDDVLXSA-N 3 0 347.463 -0.051 20 0 EBADRP [NH3+]CCCNCC(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159668017 831772203 /nfs/dbraw/zinc/77/22/03/831772203.db2.gz WJHAWMSHUZWDJW-DLBZAZTESA-N 2 0 347.463 -0.178 20 0 EBADRP C[NH+](C)C1(C(=O)NCCC[NH2+]CCCN2C(=O)CNC2=O)CCC1 ZINC001159860880 831789006 /nfs/dbraw/zinc/78/90/06/831789006.db2.gz GFOVUKHTNZTZDV-UHFFFAOYSA-N 2 0 339.440 -0.492 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCCC[NH2+]Cc1nnc2n1CCOC2)C1CC1 ZINC001159917541 831796569 /nfs/dbraw/zinc/79/65/69/831796569.db2.gz ZBZBPBHVXHAWJD-HNNXBMFYSA-N 2 0 336.440 -0.256 20 0 EBADRP CN(CC[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C)S(C)(=O)=O ZINC001159915253 831796723 /nfs/dbraw/zinc/79/67/23/831796723.db2.gz IKIGYBDLXJMHKH-ZDUSSCGKSA-N 2 0 334.486 -0.686 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1)C1CC1 ZINC001159915226 831796853 /nfs/dbraw/zinc/79/68/53/831796853.db2.gz HUEGWIQKOLSPML-GDBMZVCRSA-N 2 0 340.468 -0.282 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159917545 831797080 /nfs/dbraw/zinc/79/70/80/831797080.db2.gz ZFVNTRXKHWLDCT-AWEZNQCLSA-N 2 0 348.513 -0.248 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCCC[NH2+]C[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC001159932842 831799558 /nfs/dbraw/zinc/79/95/58/831799558.db2.gz WFERAXMZWKLOBD-OCCSQVGLSA-N 2 0 331.482 -0.143 20 0 EBADRP C[N@H+](CC(=O)NCCC[NH2+]CC(=O)N1CCOCC1)C1CCC1 ZINC001159997289 831802696 /nfs/dbraw/zinc/80/26/96/831802696.db2.gz KFLIWHSRQNNYRU-UHFFFAOYSA-N 2 0 326.441 -0.575 20 0 EBADRP [NH3+]C[C@@H](O)CC(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160129590 831817954 /nfs/dbraw/zinc/81/79/54/831817954.db2.gz XVLYSTCBDGDRBU-ZJOBFFGXSA-N 2 0 334.420 -0.109 20 0 EBADRP O=C([C@@H]1C[NH2+]CCN1)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160139024 831818320 /nfs/dbraw/zinc/81/83/20/831818320.db2.gz SVDVUPUCLLGKEE-MPTYRVRUSA-N 2 0 345.447 -0.257 20 0 EBADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160139057 831818868 /nfs/dbraw/zinc/81/88/68/831818868.db2.gz UCYMCRUOJPZKBG-AUOOEQCUSA-N 2 0 346.431 -0.096 20 0 EBADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCO[C@H](C)C1)[NH+](C)C ZINC001160426776 831848618 /nfs/dbraw/zinc/84/86/18/831848618.db2.gz JNHJYZCCIFIJNE-ZBFHGGJFSA-N 2 0 342.484 -0.084 20 0 EBADRP CC(C)[C@@H](C(=O)NCCC[NH2+]C[C@H](O)Cn1cccn1)[NH+](C)C ZINC001160434942 831850601 /nfs/dbraw/zinc/85/06/01/831850601.db2.gz VIMFORYGMSXXRI-GJZGRUSLSA-N 2 0 325.457 -0.074 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N(CCO)Cc1cccs1 ZINC001160446284 831852907 /nfs/dbraw/zinc/85/29/07/831852907.db2.gz FYUWEYLJEZHMQX-AWEZNQCLSA-N 2 0 326.466 -0.181 20 0 EBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001160463919 831853642 /nfs/dbraw/zinc/85/36/42/831853642.db2.gz QKVQBTLEFFHNKN-IHRRRGAJSA-N 2 0 326.441 -0.712 20 0 EBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001160490509 831856017 /nfs/dbraw/zinc/85/60/17/831856017.db2.gz AERUXUJEOCCCDK-HNNXBMFYSA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001160628229 831872085 /nfs/dbraw/zinc/87/20/85/831872085.db2.gz AJPVYEXUUVBTRE-HNNXBMFYSA-N 2 0 341.500 -0.951 20 0 EBADRP COC(=O)[C@@H](N)CCC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001160630321 831872369 /nfs/dbraw/zinc/87/23/69/831872369.db2.gz XDMZJTPMPWAVSW-AWEZNQCLSA-N 3 0 330.473 -0.001 20 0 EBADRP NC(=O)NCCC[C@H]([NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160779500 831885506 /nfs/dbraw/zinc/88/55/06/831885506.db2.gz IBASVHIDDMTZKK-VKJFTORMSA-N 2 0 345.447 -0.238 20 0 EBADRP O=C(N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001160779933 831885760 /nfs/dbraw/zinc/88/57/60/831885760.db2.gz LMBDSDFIDFABKW-FPAYPSAMSA-N 2 0 326.444 -0.063 20 0 EBADRP CCOC(=O)c1cnc2n1CCN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)CC2 ZINC001160806121 831888982 /nfs/dbraw/zinc/88/89/82/831888982.db2.gz LTYLIAHCDKVWQQ-OAHLLOKOSA-N 2 0 349.435 -0.229 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C[C@H]1C[NH2+]CC2 ZINC001160812314 831890664 /nfs/dbraw/zinc/89/06/64/831890664.db2.gz NXWJZQMJHFIOHN-TYNCELHUSA-N 3 0 344.481 -0.993 20 0 EBADRP CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001160825044 831892189 /nfs/dbraw/zinc/89/21/89/831892189.db2.gz RZKPCLXXWRLLFU-TZMCWYRMSA-N 2 0 335.408 -0.275 20 0 EBADRP Cn1[nH]c(C[NH2+]CCCNC(=O)C23CCC[NH+](CCC2)C3)nc1=O ZINC001160826306 831892291 /nfs/dbraw/zinc/89/22/91/831892291.db2.gz HPUABCBXSWJBQF-UHFFFAOYSA-N 2 0 336.440 -0.420 20 0 EBADRP O=C(NCCC[NH2+][C@H]1CCC(=O)NC1=O)C12CCC[NH+](CCC1)C2 ZINC001160835131 831893222 /nfs/dbraw/zinc/89/32/22/831893222.db2.gz VIZLXYSQPNBCOF-ZDUSSCGKSA-N 2 0 336.436 -0.237 20 0 EBADRP C[NH+](C)C[C@H]1COCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+] ZINC001160840614 831893439 /nfs/dbraw/zinc/89/34/39/831893439.db2.gz YPDKKIUVXSGECY-HOTGVXAUSA-N 2 0 348.447 -0.538 20 0 EBADRP CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1)[NH+](C)C ZINC001160883771 831903092 /nfs/dbraw/zinc/90/30/92/831903092.db2.gz UWQKXOZPYHMQOS-UONOGXRCSA-N 2 0 328.457 -0.282 20 0 EBADRP COC(=O)c1cn2c(n1)CN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)[NH2+]1)CC2 ZINC001160901123 831904912 /nfs/dbraw/zinc/90/49/12/831904912.db2.gz AITDZJJYIDPWCV-GFCCVEGCSA-N 2 0 347.419 -0.114 20 0 EBADRP O=C([C@@H]1CCCCN1[C@@H]1CC[NH2+]C1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161010114 831913348 /nfs/dbraw/zinc/91/33/48/831913348.db2.gz ZCNMUZDKVBUBGQ-OWCLPIDISA-N 2 0 336.480 -0.082 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161042140 831916017 /nfs/dbraw/zinc/91/60/17/831916017.db2.gz OWFUSZGKVVHZNE-LSDHHAIUSA-N 2 0 331.457 -0.410 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001161040818 831916087 /nfs/dbraw/zinc/91/60/87/831916087.db2.gz DFMWRUHUXVRHMG-OAHLLOKOSA-N 2 0 328.457 -0.281 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001161042755 831917530 /nfs/dbraw/zinc/91/75/30/831917530.db2.gz UTVRGPKNSVYHGA-CYBMUJFWSA-N 2 0 339.440 -0.445 20 0 EBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC[NH+](CCC(C)(C)O)CC1 ZINC001161176876 831935322 /nfs/dbraw/zinc/93/53/22/831935322.db2.gz WYTUQBIQRMYFLE-HNNXBMFYSA-N 2 0 342.484 -0.075 20 0 EBADRP CCC[N@H+]1C[C@H]2CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C[C@H]2C1 ZINC001161176321 831935344 /nfs/dbraw/zinc/93/53/44/831935344.db2.gz SWBVCFPNGIJPND-BETUJISGSA-N 2 0 332.470 -0.993 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001161226325 831938417 /nfs/dbraw/zinc/93/84/17/831938417.db2.gz CVNAENPGDHACCJ-UHFFFAOYSA-N 2 0 341.456 -0.246 20 0 EBADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCN(c2ncncn2)CC1 ZINC001161247356 831940449 /nfs/dbraw/zinc/94/04/49/831940449.db2.gz FEIAMNDPEFQMNI-CYBMUJFWSA-N 2 0 331.424 -0.606 20 0 EBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCN(c2ncncn2)CC1 ZINC001161247357 831940604 /nfs/dbraw/zinc/94/06/04/831940604.db2.gz FEIAMNDPEFQMNI-ZDUSSCGKSA-N 2 0 331.424 -0.606 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001161251028 831941359 /nfs/dbraw/zinc/94/13/59/831941359.db2.gz JAVLLBJJERFGCG-UHFFFAOYSA-N 2 0 348.513 -0.152 20 0 EBADRP CCS(=O)(=O)NC1CCN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)CC1 ZINC001161260964 831941648 /nfs/dbraw/zinc/94/16/48/831941648.db2.gz YUZRHFGUGMDNAD-AWEZNQCLSA-N 2 0 348.513 -0.024 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]CC(=O)NCCCOC ZINC001161251747 831941886 /nfs/dbraw/zinc/94/18/86/831941886.db2.gz XLJDTWSVYXYFEA-UHFFFAOYSA-N 2 0 330.473 -0.035 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001161412184 831955395 /nfs/dbraw/zinc/95/53/95/831955395.db2.gz HGWCMYITGODRTD-RNJOBUHISA-N 2 0 326.441 -0.559 20 0 EBADRP CCCCOC(=O)[C@H]1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001161469519 831961247 /nfs/dbraw/zinc/96/12/47/831961247.db2.gz YYMRNUWIILLSFJ-ZFWWWQNUSA-N 2 0 340.468 -0.071 20 0 EBADRP CO[C@@H]1CN(C(=O)[C@H]([NH3+])Cc2cn(C=O)c3ccccc23)C[C@@H]1[NH3+] ZINC001161492048 831966130 /nfs/dbraw/zinc/96/61/30/831966130.db2.gz MGGNDYHZAAHDGO-IJEWVQPXSA-N 2 0 330.388 -0.266 20 0 EBADRP CO[C@@H]1CN(C(=O)c2ccc3c(c2)[C@H]2C[NH2+]C[C@@H]2NC3=O)C[C@@H]1[NH3+] ZINC001161493192 831966161 /nfs/dbraw/zinc/96/61/61/831966161.db2.gz GIEZGCCJXBSVPX-CBBWQLFWSA-N 2 0 330.388 -0.717 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)[C@H]2C[NH2+]C[C@]23C(=O)Nc2ccccc23)CC12COC2 ZINC001161508666 831967632 /nfs/dbraw/zinc/96/76/32/831967632.db2.gz GAELQAAVJISQKY-RVZJWNSFSA-N 2 0 342.399 -0.718 20 0 EBADRP [NH3+][C@H](Cc1cn(C=O)c2ccccc12)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161508648 831967746 /nfs/dbraw/zinc/96/77/46/831967746.db2.gz FRYOUPFQWAQSFS-ZBFHGGJFSA-N 2 0 342.399 -0.265 20 0 EBADRP Cc1c(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)ccc2c[nH+]cn21 ZINC001161564356 831973053 /nfs/dbraw/zinc/97/30/53/831973053.db2.gz ZWXPDYTULIEILO-UHFFFAOYSA-N 2 0 332.364 -0.453 20 0 EBADRP O=C(NCCC[NH2+]C[C@H](O)Cn1cccn1)C12CCC[NH+]1CCC2 ZINC001161795851 831992396 /nfs/dbraw/zinc/99/23/96/831992396.db2.gz SYRBDYJJIFEHGA-HNNXBMFYSA-N 2 0 335.452 -0.032 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])c1ccc([C@H]2CC3(C[NH2+]C3)C(=O)N2)cc1 ZINC001162127539 832021143 /nfs/dbraw/zinc/02/11/43/832021143.db2.gz WHEFHSKQAJYLRD-CYBMUJFWSA-N 2 0 338.433 -0.438 20 0 EBADRP COC[C@@H](O)C[NH+]1CCC(CNC(=O)CC[NH+](C)C)(COC)CC1 ZINC001162457901 832048170 /nfs/dbraw/zinc/04/81/70/832048170.db2.gz ARIMHWMBXSSBPL-HNNXBMFYSA-N 2 0 345.484 -0.210 20 0 EBADRP c1cc(N2CC[NH2+]CC2)nc(NCc2nnn3c2C[NH2+]CCC3)n1 ZINC001162973312 832073528 /nfs/dbraw/zinc/07/35/28/832073528.db2.gz PIMXISJQHFXHNJ-UHFFFAOYSA-N 2 0 329.412 -0.417 20 0 EBADRP O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ccc(OCC[NH+]3CCCC3)nn2)N1 ZINC001163240127 832092727 /nfs/dbraw/zinc/09/27/27/832092727.db2.gz XDXPVOZITVCLKE-WBMJQRKESA-N 2 0 332.408 -0.059 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC001350058773 832111189 /nfs/dbraw/zinc/11/11/89/832111189.db2.gz SVTHXIJNOLVXDZ-KPWCQOOUSA-N 2 0 326.441 -0.545 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@]1(C)CO ZINC001350199487 832130336 /nfs/dbraw/zinc/13/03/36/832130336.db2.gz FPVPDTUALXGDNL-YOEHRIQHSA-N 2 0 342.484 -0.585 20 0 EBADRP Cn1[nH]c(C[NH2+]CC2(CCNC(=O)[C@H]3CCC[N@@H+]3C)CC2)nc1=O ZINC001163822123 832142145 /nfs/dbraw/zinc/14/21/45/832142145.db2.gz SSEWOWDGUJRNBF-GFCCVEGCSA-N 2 0 336.440 -0.421 20 0 EBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001350341573 832156207 /nfs/dbraw/zinc/15/62/07/832156207.db2.gz KEYDSLMDYZLJRP-KBPBESRZSA-N 2 0 328.457 -0.473 20 0 EBADRP CN(c1ccc(C(=O)N2CCC([NH3+])CC2)cc1)S(=O)(=O)CC[NH3+] ZINC001164300490 832182676 /nfs/dbraw/zinc/18/26/76/832182676.db2.gz RCKYGBVYMAXRQH-UHFFFAOYSA-N 2 0 340.449 -0.025 20 0 EBADRP CN(c1cccc2c1NC(=O)C21CC[NH2+]CC1)S(=O)(=O)CC[NH3+] ZINC001164300335 832182785 /nfs/dbraw/zinc/18/27/85/832182785.db2.gz MWYQGRHDBKCKKQ-UHFFFAOYSA-N 2 0 338.433 -0.015 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001164455855 832188522 /nfs/dbraw/zinc/18/85/22/832188522.db2.gz GJOBEEQVRONFLQ-OLZOCXBDSA-N 2 0 341.456 -0.212 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001164536160 832194686 /nfs/dbraw/zinc/19/46/86/832194686.db2.gz NJYXGSROXUNCMS-KGLIPLIRSA-N 2 0 328.457 -0.332 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCN2CCCC2=O)C1 ZINC001164535692 832194854 /nfs/dbraw/zinc/19/48/54/832194854.db2.gz ASSSIJAELCUZTG-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CCN2CCNC2=O)C1 ZINC001164536697 832195944 /nfs/dbraw/zinc/19/59/44/832195944.db2.gz WPLDQARQSAIJMH-AWEZNQCLSA-N 2 0 341.456 -0.783 20 0 EBADRP O=C1CN(c2nc(Cl)nc3c2CC[NH2+]C3)CC2(CC[NH2+]CC2)N1 ZINC001165252269 832208817 /nfs/dbraw/zinc/20/88/17/832208817.db2.gz BIZGGNZWOYIIFK-UHFFFAOYSA-N 2 0 336.827 -0.166 20 0 EBADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]C[C@H](O)CN2CCCC2=O)CC1 ZINC001165263649 832209239 /nfs/dbraw/zinc/20/92/39/832209239.db2.gz SCIRPBXHWWZJRC-AWEZNQCLSA-N 2 0 340.468 -0.593 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165378821 832218624 /nfs/dbraw/zinc/21/86/24/832218624.db2.gz PDMMTSGUZMSPHP-AWEZNQCLSA-N 2 0 330.473 -0.035 20 0 EBADRP C[NH+](C)CCC(=O)NCCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001165788365 832237410 /nfs/dbraw/zinc/23/74/10/832237410.db2.gz HNXJMNPAJBGWHZ-GJZGRUSLSA-N 2 0 331.457 -0.410 20 0 EBADRP CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165788411 832238033 /nfs/dbraw/zinc/23/80/33/832238033.db2.gz JXRZFZWZRBZOCE-ZDUSSCGKSA-N 2 0 343.472 -0.096 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)CC[NH+](C)C)C(=O)NC[C@H]1CCCO1 ZINC001165788696 832238410 /nfs/dbraw/zinc/23/84/10/832238410.db2.gz RUILRCTXURJPKJ-UONOGXRCSA-N 2 0 328.457 -0.282 20 0 EBADRP CC(C)[C@H](C(=O)NCCC[NH2+]Cc1nnc2n1CCOC2)[NH+](C)C ZINC001166004369 832245671 /nfs/dbraw/zinc/24/56/71/832245671.db2.gz NRDREULWQDIZLY-OAHLLOKOSA-N 2 0 338.456 -0.010 20 0 EBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC001351683744 832269583 /nfs/dbraw/zinc/26/95/83/832269583.db2.gz KDAARZUSFNBGDD-CQSZACIVSA-N 2 0 339.484 -0.722 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001166633458 832274455 /nfs/dbraw/zinc/27/44/55/832274455.db2.gz GIUJCKQVNHPNHA-HUUCEWRRSA-N 2 0 340.468 -0.138 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001166626190 832274986 /nfs/dbraw/zinc/27/49/86/832274986.db2.gz CCEQUIHCRILMPU-LSDHHAIUSA-N 2 0 331.457 -0.410 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001166627663 832275148 /nfs/dbraw/zinc/27/51/48/832275148.db2.gz ZAEBBQPYCYGTOZ-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001166634449 832275723 /nfs/dbraw/zinc/27/57/23/832275723.db2.gz SDPZEOTTXAOCOZ-GFCCVEGCSA-N 2 0 339.440 -0.445 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001166634133 832276164 /nfs/dbraw/zinc/27/61/64/832276164.db2.gz OUULUTBTVJUKNE-LBPRGKRZSA-N 2 0 327.429 -0.588 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001166676676 832278825 /nfs/dbraw/zinc/27/88/25/832278825.db2.gz AYGGKABMKITLSC-GJZGRUSLSA-N 2 0 340.468 -0.593 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001166676772 832279376 /nfs/dbraw/zinc/27/93/76/832279376.db2.gz CEVOYKHVHUHVFK-LSDHHAIUSA-N 2 0 340.468 -0.423 20 0 EBADRP CC(C)NC(=O)NCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001166690931 832279762 /nfs/dbraw/zinc/27/97/62/832279762.db2.gz IPTMFIHMPAKWFH-ZIAGYGMSSA-N 2 0 327.473 -0.012 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001166694055 832280519 /nfs/dbraw/zinc/28/05/19/832280519.db2.gz UUYHJVPFGKFOIB-CHWSQXEVSA-N 2 0 334.486 -0.781 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001166707273 832281599 /nfs/dbraw/zinc/28/15/99/832281599.db2.gz FESIRFMZLBMPPC-KGLIPLIRSA-N 2 0 326.441 -0.861 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001166744132 832286229 /nfs/dbraw/zinc/28/62/29/832286229.db2.gz JEYXXMLTLNRLKJ-UHFFFAOYSA-N 2 0 343.472 -0.094 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001166765283 832286182 /nfs/dbraw/zinc/28/61/82/832286182.db2.gz WBVWAYKIIVHTGV-UHFFFAOYSA-N 2 0 327.429 -0.730 20 0 EBADRP CC[C@@H](C(=O)NCCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)[NH+](C)C ZINC001166852180 832293922 /nfs/dbraw/zinc/29/39/22/832293922.db2.gz NKPIQVIXEOBOFR-ZDUSSCGKSA-N 2 0 339.440 -0.980 20 0 EBADRP CC[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NCCCOC)[NH+](C)C ZINC001166851683 832294247 /nfs/dbraw/zinc/29/42/47/832294247.db2.gz DUKKTKRUWYSCNQ-KGLIPLIRSA-N 2 0 330.473 -0.036 20 0 EBADRP Cn1nnnc1C[NH2+]CC1(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001166864011 832294878 /nfs/dbraw/zinc/29/48/78/832294878.db2.gz WFCASRKSRGAVLA-UHFFFAOYSA-N 2 0 335.456 -0.072 20 0 EBADRP C[C@@H](COCC(=O)NCCC[NH2+]Cc1nnnn1C)[NH+]1CCCC1 ZINC001166930761 832299965 /nfs/dbraw/zinc/29/99/65/832299965.db2.gz NAXCEKALPPNLPV-ZDUSSCGKSA-N 2 0 339.444 -0.693 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001166931050 832300407 /nfs/dbraw/zinc/30/04/07/832300407.db2.gz QJHJFJJOWALNEX-KGLIPLIRSA-N 2 0 328.457 -0.282 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001167236823 832319956 /nfs/dbraw/zinc/31/99/56/832319956.db2.gz QCSMDENVSNDOII-NEPJUHHUSA-N 2 0 339.440 -0.745 20 0 EBADRP C[NH+]1CCC(CC(=O)NCCC[NH2+]CCN2C(=O)CCC2=O)CC1 ZINC001167667962 832362757 /nfs/dbraw/zinc/36/27/57/832362757.db2.gz OPXNBFNBJUZGBL-UHFFFAOYSA-N 2 0 338.452 -0.037 20 0 EBADRP NC(=O)C1CCN(c2ccc(NC(=[NH2+])NCCCC[NH3+])nn2)CC1 ZINC001167878727 832380923 /nfs/dbraw/zinc/38/09/23/832380923.db2.gz CMDWFKADQUIENZ-UHFFFAOYSA-N 2 0 334.428 -0.147 20 0 EBADRP COC(=O)C(C(=O)OC)c1cncc(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001167877633 832381010 /nfs/dbraw/zinc/38/10/10/832381010.db2.gz HWDXGHNLLKUECA-UHFFFAOYSA-N 2 0 338.368 -0.419 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC2(C[NH2+][C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC001168138576 832399384 /nfs/dbraw/zinc/39/93/84/832399384.db2.gz SSNZFEZITKJMOP-CHWSQXEVSA-N 2 0 336.436 -0.381 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001353426000 832427551 /nfs/dbraw/zinc/42/75/51/832427551.db2.gz UYDWZEMFXCVRKT-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP CC[NH+](CC)[C@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C(C)C ZINC001168667378 832431319 /nfs/dbraw/zinc/43/13/19/832431319.db2.gz SQVAMMWRFCFMBF-ZDUSSCGKSA-N 2 0 329.445 -0.356 20 0 EBADRP CC[NH+]1CCN(CCCNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001353583139 832434030 /nfs/dbraw/zinc/43/40/30/832434030.db2.gz ROGODDMEDKQSFZ-OAHLLOKOSA-N 2 0 339.484 -0.673 20 0 EBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001353583915 832434081 /nfs/dbraw/zinc/43/40/81/832434081.db2.gz VDDBNXAMUZDGMQ-LSDHHAIUSA-N 2 0 339.484 -0.674 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001168755060 832434328 /nfs/dbraw/zinc/43/43/28/832434328.db2.gz GZQLXIUFODIYFN-UHFFFAOYSA-N 2 0 334.486 -0.540 20 0 EBADRP [NH3+]Cc1cccc(-c2nnn(-c3nccnc3N3CC[NH2+]CC3)n2)c1 ZINC001168876854 832439075 /nfs/dbraw/zinc/43/90/75/832439075.db2.gz MFRUBOXSFUELBU-UHFFFAOYSA-N 2 0 337.391 -0.012 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCCC[NH2+]CCS(C)(=O)=O)CC1 ZINC001169541673 832466506 /nfs/dbraw/zinc/46/65/06/832466506.db2.gz NLQFDHKKIGBCOB-UHFFFAOYSA-N 2 0 335.470 -0.762 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169810850 832477241 /nfs/dbraw/zinc/47/72/41/832477241.db2.gz RYFISIBDILMMSK-QWHCGFSZSA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@@H](CCCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169811135 832477310 /nfs/dbraw/zinc/47/73/10/832477310.db2.gz UHBPLQGDOCSRSB-QWHCGFSZSA-N 2 0 338.456 -0.033 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001170210585 832492022 /nfs/dbraw/zinc/49/20/22/832492022.db2.gz DDHCOQZBCGOGGA-CQSZACIVSA-N 2 0 328.457 -0.281 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]C[C@H](O)CO[C@H](C)COC ZINC001170222045 832492752 /nfs/dbraw/zinc/49/27/52/832492752.db2.gz JHHWEBWOUUXNDK-CABCVRRESA-N 2 0 333.473 -0.164 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001170223333 832493338 /nfs/dbraw/zinc/49/33/38/832493338.db2.gz RXHAYEFGNGUJAM-HNNXBMFYSA-N 2 0 345.484 -0.019 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)C(=O)NCCCOC ZINC001170235101 832493937 /nfs/dbraw/zinc/49/39/37/832493937.db2.gz YCZOAEHYPHPCPS-AWEZNQCLSA-N 2 0 330.473 -0.035 20 0 EBADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001170784886 832525860 /nfs/dbraw/zinc/52/58/60/832525860.db2.gz MCZRIXHTOMVYFU-CYBMUJFWSA-N 2 0 341.456 -0.068 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001171205637 832550413 /nfs/dbraw/zinc/55/04/13/832550413.db2.gz VIKSFPDHJXISLE-AWEZNQCLSA-N 2 0 349.497 -0.515 20 0 EBADRP Cn1nc(C2CC2)nc1C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171204793 832550544 /nfs/dbraw/zinc/55/05/44/832550544.db2.gz GHZQABCDSXKOBK-UHFFFAOYSA-N 2 0 338.456 -0.133 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001171205061 832550561 /nfs/dbraw/zinc/55/05/61/832550561.db2.gz KSRLMSNGJHYNRB-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[C@H](C)NC(=O)C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171205393 832550790 /nfs/dbraw/zinc/55/07/90/832550790.db2.gz TYQLZHKSSFGMRL-AWEZNQCLSA-N 2 0 330.473 -0.179 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CCCO[C@H]1CCOC1 ZINC001171216846 832551276 /nfs/dbraw/zinc/55/12/76/832551276.db2.gz JHHHPFKUKNSMQP-HNNXBMFYSA-N 2 0 331.457 -0.144 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1c[nH+]ccc1N(C)C ZINC001171354201 832557892 /nfs/dbraw/zinc/55/78/92/832557892.db2.gz KPEFDAIPBRYSDZ-UHFFFAOYSA-N 2 0 336.396 -0.687 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171579196 832565888 /nfs/dbraw/zinc/56/58/88/832565888.db2.gz PJNQKFNMENZFIK-HNNXBMFYSA-N 2 0 333.473 -0.162 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171585413 832566064 /nfs/dbraw/zinc/56/60/64/832566064.db2.gz SIERVKLCYMMCOC-LBPRGKRZSA-N 2 0 329.445 -0.342 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001171731718 832574038 /nfs/dbraw/zinc/57/40/38/832574038.db2.gz NFUKOHDMDJBKGJ-LBPRGKRZSA-N 2 0 329.445 -0.342 20 0 EBADRP CC[NH+](CC)C1CCC([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)CC1 ZINC001173102624 832582496 /nfs/dbraw/zinc/58/24/96/832582496.db2.gz BCCNCOIVBGOEQV-YCBQYYIRSA-N 2 0 332.441 -0.971 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 ZINC001173572629 832585855 /nfs/dbraw/zinc/58/58/55/832585855.db2.gz RPNFQZAIAKPQPW-RVMXOQNASA-N 2 0 343.424 -0.440 20 0 EBADRP C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)CCC[NH+](C)C ZINC001174950545 832607629 /nfs/dbraw/zinc/60/76/29/832607629.db2.gz XEXNMEPDWPQZNV-GFCCVEGCSA-N 2 0 329.445 -0.212 20 0 EBADRP CN(C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C)C1(C[NH3+])CCOCC1 ZINC001356427220 832628262 /nfs/dbraw/zinc/62/82/62/832628262.db2.gz INCSVPBEGMCIOX-ZIAGYGMSSA-N 2 0 340.468 -0.058 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001176056765 832654182 /nfs/dbraw/zinc/65/41/82/832654182.db2.gz JQTAKFPEKYLMGD-ZIAGYGMSSA-N 2 0 326.441 -0.719 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]Cc2nnnn2CC(F)(F)F)C1 ZINC001176056041 832654398 /nfs/dbraw/zinc/65/43/98/832654398.db2.gz DMWJZMTUIRZQDC-JTQLQIEISA-N 2 0 349.361 -0.217 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001176057751 832654943 /nfs/dbraw/zinc/65/49/43/832654943.db2.gz SAQMDGVOCUNTJO-HUUCEWRRSA-N 2 0 343.468 -0.410 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001176058137 832655184 /nfs/dbraw/zinc/65/51/84/832655184.db2.gz VHFVBHQMQAKCNG-ZIAGYGMSSA-N 2 0 326.441 -0.813 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001176071162 832655739 /nfs/dbraw/zinc/65/57/39/832655739.db2.gz CRMUVHALNXJSRD-ZDUSSCGKSA-N 2 0 326.441 -0.671 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176071815 832655858 /nfs/dbraw/zinc/65/58/58/832655858.db2.gz IJHCXJGGLCKFAT-RYUDHWBXSA-N 2 0 327.429 -0.732 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001176096359 832657250 /nfs/dbraw/zinc/65/72/50/832657250.db2.gz RMIKNABJNYKIGU-LBPRGKRZSA-N 2 0 339.440 -0.636 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176095575 832657458 /nfs/dbraw/zinc/65/74/58/832657458.db2.gz FMZCMQFZNFEGPJ-STQMWFEESA-N 2 0 341.456 -0.343 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCCNC(=O)[C@@H]2CC[N@H+](C)C2)n(C)n1 ZINC001176095673 832657574 /nfs/dbraw/zinc/65/75/74/832657574.db2.gz HDPJIJADXHYTSM-CYBMUJFWSA-N 2 0 336.440 -0.285 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CCCS(C)(=O)=O ZINC001176161759 832660475 /nfs/dbraw/zinc/66/04/75/832660475.db2.gz RMZOGPLUYHYMGH-CQSZACIVSA-N 2 0 349.497 -0.515 20 0 EBADRP C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176164702 832660901 /nfs/dbraw/zinc/66/09/01/832660901.db2.gz DLYDMTJAXHQHPQ-QWHCGFSZSA-N 2 0 341.456 -0.212 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176168574 832661312 /nfs/dbraw/zinc/66/13/12/832661312.db2.gz FGAWOLIVCGWVRF-HNNXBMFYSA-N 2 0 342.484 -0.083 20 0 EBADRP C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176600774 832681846 /nfs/dbraw/zinc/68/18/46/832681846.db2.gz PMMANRMGQYMQCX-ZIAGYGMSSA-N 2 0 328.457 -0.295 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCCNC(=O)CC[NH+]1CCCCC1 ZINC001176933446 832713040 /nfs/dbraw/zinc/71/30/40/832713040.db2.gz BSYQCWYKRZLBFZ-UHFFFAOYSA-N 2 0 334.486 -0.493 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001176992498 832727494 /nfs/dbraw/zinc/72/74/94/832727494.db2.gz ROFNIFZLIKCOLG-CYBMUJFWSA-N 2 0 339.440 -0.492 20 0 EBADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)[NH+]1CCCC1 ZINC001176999231 832730388 /nfs/dbraw/zinc/73/03/88/832730388.db2.gz RCXKRVVSZHACEC-ZDUSSCGKSA-N 2 0 327.429 -0.602 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001178716492 832903204 /nfs/dbraw/zinc/90/32/04/832903204.db2.gz QJVPQVXMOSAXSW-UHTWSYAYSA-N 2 0 337.424 -0.898 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001178716491 832903988 /nfs/dbraw/zinc/90/39/88/832903988.db2.gz QJVPQVXMOSAXSW-DRZSPHRISA-N 2 0 337.424 -0.898 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CCS(C)(=O)=O)[C@@H]2C)CC[N@@H+]1C ZINC001178731552 832906108 /nfs/dbraw/zinc/90/61/08/832906108.db2.gz XIDKUJSUSBYMER-RQJABVFESA-N 2 0 331.482 -0.050 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001178902234 832928488 /nfs/dbraw/zinc/92/84/88/832928488.db2.gz GOBISWLZIHVMNI-AAEUAGOBSA-N 2 0 339.440 -0.495 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001179549918 832988380 /nfs/dbraw/zinc/98/83/80/832988380.db2.gz MJKLEBKQWGOFJC-RYUDHWBXSA-N 2 0 341.456 -0.262 20 0 EBADRP CO[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001212459085 837690381 /nfs/dbraw/zinc/69/03/81/837690381.db2.gz WDHWOSQHTRCLCY-RBSFLKMASA-N 2 0 343.468 -0.459 20 0 EBADRP CCN(C(=O)C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)C1CC1 ZINC001187106421 833901464 /nfs/dbraw/zinc/90/14/64/833901464.db2.gz GTXFIUDDRHZREN-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCCOCC)C1 ZINC001187291185 833915607 /nfs/dbraw/zinc/91/56/07/833915607.db2.gz MDLYUMZURDNQQE-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001187290878 833915889 /nfs/dbraw/zinc/91/58/89/833915889.db2.gz ARLKZHJYINTYQP-CYBMUJFWSA-N 2 0 339.440 -0.493 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NCC)C1 ZINC001187284290 833916010 /nfs/dbraw/zinc/91/60/10/833916010.db2.gz NVNDDUQAOHOQOV-CHWSQXEVSA-N 2 0 341.456 -0.247 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187826111 833971891 /nfs/dbraw/zinc/97/18/91/833971891.db2.gz VQISVBGITFSRIM-LSDHHAIUSA-N 2 0 326.441 -0.719 20 0 EBADRP COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187843172 833973328 /nfs/dbraw/zinc/97/33/28/833973328.db2.gz WFCUUFJAAZOYCM-HUUCEWRRSA-N 2 0 329.441 -0.703 20 0 EBADRP CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001187850708 833974042 /nfs/dbraw/zinc/97/40/42/833974042.db2.gz HITOUEVAQZPGNK-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001188158733 834017405 /nfs/dbraw/zinc/01/74/05/834017405.db2.gz WRTBZJKRCZKORG-HUUCEWRRSA-N 2 0 340.468 -0.236 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001189026115 834117348 /nfs/dbraw/zinc/11/73/48/834117348.db2.gz IJHMGXJKCWLLPJ-ARFHVFGLSA-N 2 0 335.452 -0.272 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001190643763 834308351 /nfs/dbraw/zinc/30/83/51/834308351.db2.gz CPVAVRNYLKYMQQ-RYUDHWBXSA-N 2 0 339.440 -0.413 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([N@H+](C)CCN3CCNC3=O)C2)CC1 ZINC001192020112 834594259 /nfs/dbraw/zinc/59/42/59/834594259.db2.gz ZGZQQWPQIKXYON-CQSZACIVSA-N 2 0 337.468 -0.114 20 0 EBADRP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001193024370 834782340 /nfs/dbraw/zinc/78/23/40/834782340.db2.gz OCNSFMKJJFYCHY-BZUAXINKSA-N 2 0 325.453 -0.084 20 0 EBADRP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193068416 834788868 /nfs/dbraw/zinc/78/88/68/834788868.db2.gz SICFDHROSQISBX-HUUCEWRRSA-N 2 0 339.440 -0.744 20 0 EBADRP CN1CCC[C@H]([N@H+](C)[C@H]2CCN(C(=O)COCC[NH+](C)C)C2)C1=O ZINC001193487781 834888712 /nfs/dbraw/zinc/88/87/12/834888712.db2.gz FNUGDHUEIZVIOH-GJZGRUSLSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193499980 834890845 /nfs/dbraw/zinc/89/08/45/834890845.db2.gz NHSCFCWTPVTKFG-VXGBXAGGSA-N 2 0 337.424 -0.802 20 0 EBADRP C[NH+]1CCN(c2cncc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c2)CC1 ZINC001193947291 834985645 /nfs/dbraw/zinc/98/56/45/834985645.db2.gz KGNCIXUDNWOUQH-UHFFFAOYSA-N 3 0 333.440 -0.092 20 0 EBADRP CC(=O)NCCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194001329 834993308 /nfs/dbraw/zinc/99/33/08/834993308.db2.gz GXZSXFZMNKKNEY-CVEARBPZSA-N 2 0 340.468 -0.377 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194039165 835004100 /nfs/dbraw/zinc/00/41/00/835004100.db2.gz LBQOEOYOUQLYBW-QWHCGFSZSA-N 2 0 339.440 -0.541 20 0 EBADRP COCCOC[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194040793 835005204 /nfs/dbraw/zinc/00/52/04/835005204.db2.gz SJPNBLVDVUUJRC-JKSUJKDBSA-N 2 0 343.468 -0.361 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1O ZINC001195708059 835275821 /nfs/dbraw/zinc/27/58/21/835275821.db2.gz DBZZDLKBGGUJJP-ARFHVFGLSA-N 2 0 343.468 -0.315 20 0 EBADRP C[C@@H](COCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O)[NH+]1CCCC1 ZINC001196250764 835378717 /nfs/dbraw/zinc/37/87/17/835378717.db2.gz BFNHOUZXQBTIGC-RRFJBIMHSA-N 2 0 329.441 -0.969 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1O ZINC001197048516 835498616 /nfs/dbraw/zinc/49/86/16/835498616.db2.gz CPVHDYMERPGMHD-BZUAXINKSA-N 2 0 343.468 -0.315 20 0 EBADRP COCCOC[C@@H](O)C[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197048325 835498686 /nfs/dbraw/zinc/49/86/86/835498686.db2.gz DTIDAVDDJGRTHG-HNNXBMFYSA-N 2 0 331.457 -0.504 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)C[C@H]1O ZINC001197050051 835499482 /nfs/dbraw/zinc/49/94/82/835499482.db2.gz UWLVMISZBKIURA-ARFHVFGLSA-N 2 0 345.484 -0.477 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]1O ZINC001197050052 835499898 /nfs/dbraw/zinc/49/98/98/835499898.db2.gz UWLVMISZBKIURA-BZUAXINKSA-N 2 0 345.484 -0.477 20 0 EBADRP COCCOC[C@H](O)C[N@@H+]1CCCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001198282814 835663994 /nfs/dbraw/zinc/66/39/94/835663994.db2.gz JKYYGFGCHMVNCQ-MRXNPFEDSA-N 2 0 345.484 -0.115 20 0 EBADRP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198698641 835710809 /nfs/dbraw/zinc/71/08/09/835710809.db2.gz CZYSGMJVEZJMSX-BZUAXINKSA-N 2 0 343.468 -0.457 20 0 EBADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001198729363 835716575 /nfs/dbraw/zinc/71/65/75/835716575.db2.gz LLFFVHVUDYFZNA-HZPDHXFCSA-N 2 0 343.468 -0.577 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001199788433 835861307 /nfs/dbraw/zinc/86/13/07/835861307.db2.gz QAHXSKYFRWOEFH-GFCCVEGCSA-N 2 0 325.413 -0.883 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC001199826413 835866910 /nfs/dbraw/zinc/86/69/10/835866910.db2.gz KOMXDRKUDQMBMR-CVEARBPZSA-N 2 0 335.452 -0.081 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200115096 835911099 /nfs/dbraw/zinc/91/10/99/835911099.db2.gz IYTBTIGTAFLZAF-HUUCEWRRSA-N 2 0 340.468 -0.188 20 0 EBADRP CCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200121915 835913049 /nfs/dbraw/zinc/91/30/49/835913049.db2.gz AABITWJMIBXOJJ-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCCO1 ZINC001200529506 835980458 /nfs/dbraw/zinc/98/04/58/835980458.db2.gz WGCLBJXKNNUICD-CABCVRRESA-N 2 0 338.452 -0.719 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC)C1 ZINC001200628048 835997622 /nfs/dbraw/zinc/99/76/22/835997622.db2.gz QUNVNEAABXSONV-ZIAGYGMSSA-N 2 0 346.447 -0.381 20 0 EBADRP CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001200658224 836009777 /nfs/dbraw/zinc/00/97/77/836009777.db2.gz IPTYENLFLQOQOH-GJZGRUSLSA-N 2 0 338.452 -0.434 20 0 EBADRP CC[C@@H]([NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCCO1)C(N)=O ZINC001200687709 836016110 /nfs/dbraw/zinc/01/61/10/836016110.db2.gz GCPNHOSLHIVBJN-UONOGXRCSA-N 2 0 340.468 -0.058 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001200722380 836022443 /nfs/dbraw/zinc/02/24/43/836022443.db2.gz WIUMHDUWQIUPSO-KBPBESRZSA-N 2 0 326.441 -0.447 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCCO1 ZINC001200736769 836026590 /nfs/dbraw/zinc/02/65/90/836026590.db2.gz FKNBGODNPWQFJM-HOCLYGCPSA-N 2 0 342.484 -0.084 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200807079 836039511 /nfs/dbraw/zinc/03/95/11/836039511.db2.gz UXZAXXUAICAFBN-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001201033541 836083444 /nfs/dbraw/zinc/08/34/44/836083444.db2.gz OBMGXQUKZJVCNP-KRIMKBQASA-N 2 0 339.436 -0.951 20 0 EBADRP CC[C@H](C(=O)N1CCC([NH2+][C@@H](C)C(=O)NC(N)=O)CC1)[NH+](C)C ZINC001201240789 836116550 /nfs/dbraw/zinc/11/65/50/836116550.db2.gz YPKJNYMZVJWBLA-CMPLNLGQSA-N 2 0 327.429 -0.509 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CCCO[C@H](C[NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001201263277 836120165 /nfs/dbraw/zinc/12/01/65/836120165.db2.gz YICMCBCHSAFYOF-KGLIPLIRSA-N 2 0 338.452 -0.576 20 0 EBADRP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1)C(=O)NC(N)=O ZINC001201267969 836120306 /nfs/dbraw/zinc/12/03/06/836120306.db2.gz UMRKPBFNHVEBGG-AAEUAGOBSA-N 2 0 339.440 -0.365 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001201275768 836121275 /nfs/dbraw/zinc/12/12/75/836121275.db2.gz AHEHCBLLFKKINW-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001201333716 836129664 /nfs/dbraw/zinc/12/96/64/836129664.db2.gz BUEVCCPWSVCCQN-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CC[NH+](C)C)CCCO2)C1=O ZINC001201335405 836130680 /nfs/dbraw/zinc/13/06/80/836130680.db2.gz OBYYTLAQQDFNOB-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]CCS(C)(=O)=O)C1)[NH+](C)C ZINC001201431421 836146135 /nfs/dbraw/zinc/14/61/35/836146135.db2.gz XGUQDYAHJYZPTJ-KBPBESRZSA-N 2 0 349.497 -0.422 20 0 EBADRP CC[C@@H](C(=O)N1CCCO[C@H](C[NH2+]CC(=O)N2CCC2)C1)[NH+](C)C ZINC001201431233 836146727 /nfs/dbraw/zinc/14/67/27/836146727.db2.gz XGGJOJYGUNFQIG-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCCO[C@@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001201678149 836174875 /nfs/dbraw/zinc/17/48/75/836174875.db2.gz GRUQFDPKPXWYIO-AWEZNQCLSA-N 2 0 349.497 -0.420 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001201687647 836175818 /nfs/dbraw/zinc/17/58/18/836175818.db2.gz HAUQWKONXZYSQC-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCCO[C@H](C[NH2+]CCOCCO)C2)C1 ZINC001201863988 836207081 /nfs/dbraw/zinc/20/70/81/836207081.db2.gz RIBDXUBJVXSYPM-JKSUJKDBSA-N 2 0 343.468 -0.456 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001201864267 836207306 /nfs/dbraw/zinc/20/73/06/836207306.db2.gz VBTZYMISMQQIFM-KBPBESRZSA-N 2 0 326.441 -0.719 20 0 EBADRP CC[C@@H]([NH2+]C[C@H]1CN(C(=O)COCC[NH+](C)C)CCCO1)C(N)=O ZINC001201864476 836208779 /nfs/dbraw/zinc/20/87/79/836208779.db2.gz XVKBCJGMODBNMW-UONOGXRCSA-N 2 0 344.456 -0.964 20 0 EBADRP COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)CCCO1 ZINC001201908633 836214102 /nfs/dbraw/zinc/21/41/02/836214102.db2.gz NRIWGCGLIYUJLQ-HOTGVXAUSA-N 2 0 345.484 -0.067 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001201925345 836216208 /nfs/dbraw/zinc/21/62/08/836216208.db2.gz ZGMQFHVMBMOYGJ-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC)C1 ZINC001201924507 836216854 /nfs/dbraw/zinc/21/68/54/836216854.db2.gz NHROIBWKJRFZNA-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCCO[C@H](C[NH2+]C[C@H](O)COC)C1 ZINC001201930618 836218642 /nfs/dbraw/zinc/21/86/42/836218642.db2.gz FLXNZSDRSZVLSN-LSDHHAIUSA-N 2 0 331.457 -0.457 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202050712 836241854 /nfs/dbraw/zinc/24/18/54/836241854.db2.gz WVIKLVQQUMAMFZ-HUUCEWRRSA-N 2 0 329.441 -0.703 20 0 EBADRP O=C(C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1)N1CCC1 ZINC001202050743 836243105 /nfs/dbraw/zinc/24/31/05/836243105.db2.gz XDVARAUBYZCLCU-HNNXBMFYSA-N 2 0 338.452 -0.478 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001202058254 836245586 /nfs/dbraw/zinc/24/55/86/836245586.db2.gz IYPHLILKSIPRDD-ZIAGYGMSSA-N 2 0 347.481 -0.810 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001202066875 836246546 /nfs/dbraw/zinc/24/65/46/836246546.db2.gz CELTXINSKCBUQH-GJZGRUSLSA-N 2 0 329.441 -0.846 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202060247 836246761 /nfs/dbraw/zinc/24/67/61/836246761.db2.gz VYJBMQYUOJBKCB-ZIAGYGMSSA-N 2 0 326.441 -0.767 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001202165604 836265987 /nfs/dbraw/zinc/26/59/87/836265987.db2.gz SALIKLMZFQASQF-KBPBESRZSA-N 2 0 326.441 -0.578 20 0 EBADRP CC[C@H]([NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCCO1)C(N)=O ZINC001202165490 836266412 /nfs/dbraw/zinc/26/64/12/836266412.db2.gz RKVGNPGFIUGOGC-KBPBESRZSA-N 2 0 328.457 -0.202 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCCO[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC001202165564 836266803 /nfs/dbraw/zinc/26/68/03/836266803.db2.gz RRHNGRIXMDKEGR-HNNXBMFYSA-N 2 0 338.456 -0.138 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCCO[C@H](C[NH2+]CCOCCO)C1 ZINC001202166007 836267029 /nfs/dbraw/zinc/26/70/29/836267029.db2.gz UEOLNFHEFCIXCO-OAHLLOKOSA-N 2 0 331.457 -0.457 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001202217392 836275478 /nfs/dbraw/zinc/27/54/78/836275478.db2.gz MZLNJFHWVKDVOE-UHFFFAOYSA-N 2 0 327.429 -0.636 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC([NH2+]C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001202322014 836291057 /nfs/dbraw/zinc/29/10/57/836291057.db2.gz DKPKSPQLGKNSIO-ZDUSSCGKSA-N 2 0 331.482 -0.047 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001203006219 836380902 /nfs/dbraw/zinc/38/09/02/836380902.db2.gz WNGXIMIZXSRIPZ-UHFFFAOYSA-N 2 0 341.456 -0.246 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC([NH2+]CC(=O)N2CCOCC2)CC1 ZINC001203204150 836406431 /nfs/dbraw/zinc/40/64/31/836406431.db2.gz ZHRVEWSQAFMWRT-UHFFFAOYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC([NH2+]CC(=O)NCC2CC2)CC1 ZINC001203348619 836423816 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O=C(C[NH+]1CCCC1)N1CCC[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001211089891 837384899 /nfs/dbraw/zinc/38/48/99/837384899.db2.gz BTAAOVKAXNKJOO-HZPDHXFCSA-N 2 0 335.452 -0.080 20 0 EBADRP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213744732 837856561 /nfs/dbraw/zinc/85/65/61/837856561.db2.gz GRZDGBLIRNNVKX-HUUCEWRRSA-N 2 0 331.457 -0.457 20 0 EBADRP CC(C)NC(=O)NCC[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001320269759 838735815 /nfs/dbraw/zinc/73/58/15/838735815.db2.gz ADXPVUMATZLKHC-AWEZNQCLSA-N 2 0 343.472 -0.898 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001320633695 838808576 /nfs/dbraw/zinc/80/85/76/838808576.db2.gz JWPUHDHLUVJSGA-OLZOCXBDSA-N 2 0 341.456 -0.342 20 0 EBADRP CCN(CC[NH2+]CCN1CCCS1(=O)=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001320694471 838818811 /nfs/dbraw/zinc/81/88/11/838818811.db2.gz MWWQMJMVBLKKHA-CQSZACIVSA-N 2 0 346.497 -0.446 20 0 EBADRP CCN(CC[NH2+]CC(=O)NC(=O)NC)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001320841296 838847126 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339.484 -0.851 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001322884119 839291105 /nfs/dbraw/zinc/29/11/05/839291105.db2.gz RYBSRRRZUXOQEZ-UHFFFAOYSA-N 2 0 340.468 -0.186 20 0 EBADRP NC(=O)C[C@H]1CC[NH+](CCOCC[N@H+]2CC[C@H](CC(N)=O)C2)C1 ZINC001323707500 839505136 /nfs/dbraw/zinc/50/51/36/839505136.db2.gz QVRKXPXYRMXMAG-ZIAGYGMSSA-N 2 0 326.441 -0.602 20 0 EBADRP C[C@@H]1C[C@H](O)CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001325255215 839831460 /nfs/dbraw/zinc/83/14/60/839831460.db2.gz UDDHHTWQDNSMKQ-KGLIPLIRSA-N 2 0 328.457 -0.833 20 0 EBADRP O=C(C[NH+]1CCCC1)N(CCO)CC[NH2+]C[C@H]1CCc2ncnn21 ZINC001326148620 840050121 /nfs/dbraw/zinc/05/01/21/840050121.db2.gz PTUVRVDUBQONLA-CQSZACIVSA-N 2 0 336.440 -0.728 20 0 EBADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC001326182065 840058550 /nfs/dbraw/zinc/05/85/50/840058550.db2.gz DGNQVYHXLJGSCN-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@H](CC[NH2+]CC(N)=O)C2)n1 ZINC001326272880 840076623 /nfs/dbraw/zinc/07/66/23/840076623.db2.gz PPIGVLRZUAUYMF-ZDUSSCGKSA-N 2 0 336.440 -0.628 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H](CC[NH2+]CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001326413179 840102109 /nfs/dbraw/zinc/10/21/09/840102109.db2.gz XMTSFXIAXUTODZ-QWHCGFSZSA-N 2 0 341.456 -0.390 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC001326654993 840164857 /nfs/dbraw/zinc/16/48/57/840164857.db2.gz QUIRMQSWXUWVQG-CQSZACIVSA-N 2 0 326.441 -0.528 20 0 EBADRP Cn1cc(CC[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CCO2)cn1 ZINC001326957789 840249861 /nfs/dbraw/zinc/24/98/61/840249861.db2.gz LCULJCSDXGFILE-HZPDHXFCSA-N 2 0 335.452 -0.126 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(C)CCC[NH+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001327259131 840344369 /nfs/dbraw/zinc/34/43/69/840344369.db2.gz ZXKKPTYDBDTJPN-UONOGXRCSA-N 2 0 338.452 -0.086 20 0 EBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC001327487389 840434641 /nfs/dbraw/zinc/43/46/41/840434641.db2.gz UYQTXCWIUSEKCT-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCNS(C)(=O)=O ZINC001328403273 840670815 /nfs/dbraw/zinc/67/08/15/840670815.db2.gz UDNTVVJNAWVNES-IHRRRGAJSA-N 2 0 348.513 -0.250 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC001328400996 840671077 /nfs/dbraw/zinc/67/10/77/840671077.db2.gz PXBXORSJMHMZGX-DLBZAZTESA-N 3 0 328.501 -0.579 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(CC(=O)N2CC[NH2+]CC2)CC1 ZINC001328606967 840714001 /nfs/dbraw/zinc/71/40/01/840714001.db2.gz SRTSETGIVFDKKG-IRXDYDNUSA-N 2 0 337.512 -0.091 20 0 EBADRP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001329051513 840825891 /nfs/dbraw/zinc/82/58/91/840825891.db2.gz CBGNSXVQJHYIOJ-RYUDHWBXSA-N 2 0 339.440 -0.495 20 0 EBADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001329170272 840864003 /nfs/dbraw/zinc/86/40/03/840864003.db2.gz IMTBAGHTNLPAFL-RYUDHWBXSA-N 2 0 332.470 -0.886 20 0 EBADRP Cn1cc(NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cn1 ZINC001329425802 840915312 /nfs/dbraw/zinc/91/53/12/840915312.db2.gz DARODNMXYHWOBK-CHWSQXEVSA-N 2 0 336.440 -0.444 20 0 EBADRP COCC[NH2+]CCNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC001330593393 841242095 /nfs/dbraw/zinc/24/20/95/841242095.db2.gz ONGPXZBFGGZXFG-SECBINFHSA-N 2 0 332.355 -0.284 20 0 EBADRP C[NH+]1CCC(NC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC001330820415 841278230 /nfs/dbraw/zinc/27/82/30/841278230.db2.gz AZVBQQWILDKITP-OAHLLOKOSA-N 2 0 338.452 -0.746 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC001330872127 841287703 /nfs/dbraw/zinc/28/77/03/841287703.db2.gz VNEYCSGRCCJBNL-KBPBESRZSA-N 2 0 325.457 -0.922 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001331104147 841336344 /nfs/dbraw/zinc/33/63/44/841336344.db2.gz QBSAKQGWUFQEOV-JSGCOSHPSA-N 2 0 326.441 -0.401 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001331133679 841346922 /nfs/dbraw/zinc/34/69/22/841346922.db2.gz JHTBYUTXTWRRQN-HUUCEWRRSA-N 2 0 338.452 -0.434 20 0 EBADRP Cc1cc(NC(=O)C(=O)NC2C[NH2+]C2)ccc1N1CC[NH+](C)CC1 ZINC001331417134 841405242 /nfs/dbraw/zinc/40/52/42/841405242.db2.gz ZXHFKJZIVZYERQ-UHFFFAOYSA-N 2 0 331.420 -0.227 20 0 EBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])C2)CC1 ZINC001331591428 841434201 /nfs/dbraw/zinc/43/42/01/841434201.db2.gz ZMIZBACKDRVZNJ-CYBMUJFWSA-N 3 0 339.484 -0.485 20 0 EBADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCC2([NH3+])CCOCC2)CC[N@@H+]1C ZINC001331605158 841436945 /nfs/dbraw/zinc/43/69/45/841436945.db2.gz GKYXVSRCGYGJOE-CHWSQXEVSA-N 2 0 326.441 -0.448 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001331616906 841440999 /nfs/dbraw/zinc/44/09/99/841440999.db2.gz DYSRTYABLRQPNN-GJZGRUSLSA-N 2 0 339.484 -0.484 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCOCC(F)(F)F ZINC001331687005 841459818 /nfs/dbraw/zinc/45/98/18/841459818.db2.gz YGLPRGXXDLLJLC-GHMZBOCLSA-N 2 0 327.347 -0.274 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CCCN2CCCC2=O)C1 ZINC001331836019 841515893 /nfs/dbraw/zinc/51/58/93/841515893.db2.gz OBUPXKQDMBAWLZ-UONOGXRCSA-N 2 0 326.441 -0.983 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCCN2CCCC2=O)C1 ZINC001331836015 841516073 /nfs/dbraw/zinc/51/60/73/841516073.db2.gz OBUPXKQDMBAWLZ-KGLIPLIRSA-N 2 0 326.441 -0.983 20 0 EBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001332345855 841621003 /nfs/dbraw/zinc/62/10/03/841621003.db2.gz MBKLVKXEIRQHOK-KGLIPLIRSA-N 2 0 340.468 -0.058 20 0 EBADRP CN(C[C@H](O)C[NH2+]CCCN1CCCC1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001332606507 841687575 /nfs/dbraw/zinc/68/75/75/841687575.db2.gz NUGSVXCTJHTZQP-HUUCEWRRSA-N 2 0 340.468 -0.641 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CC[NH+]1C ZINC001332764115 841731581 /nfs/dbraw/zinc/73/15/81/841731581.db2.gz NOPZHCKLSDJDOF-KGLIPLIRSA-N 2 0 325.457 -0.068 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CC[NH+]1C ZINC001332764117 841731782 /nfs/dbraw/zinc/73/17/82/841731782.db2.gz NOPZHCKLSDJDOF-ZIAGYGMSSA-N 2 0 325.457 -0.068 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC001332976823 841774335 /nfs/dbraw/zinc/77/43/35/841774335.db2.gz SVIWPFRJHMSCCV-PBHICJAKSA-N 2 0 340.468 -0.140 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH2+]CCO)C1 ZINC001333165797 841809147 /nfs/dbraw/zinc/80/91/47/841809147.db2.gz NDZPVGZJDYLGFJ-LSDHHAIUSA-N 2 0 340.468 -0.593 20 0 EBADRP CN(CCOCC[NH2+][C@H]1CCCN(C)C1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001333266198 841838936 /nfs/dbraw/zinc/83/89/36/841838936.db2.gz DDWJDYRYQQXRJZ-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP CC(C)[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C)N1CC[NH+](C)CC1 ZINC001333401224 841866888 /nfs/dbraw/zinc/86/68/88/841866888.db2.gz CIHVQPLSAOMZBE-KFWWJZLASA-N 2 0 339.484 -0.677 20 0 EBADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C[C@H](C)O1 ZINC001333448843 841882596 /nfs/dbraw/zinc/88/25/96/841882596.db2.gz SVTHXIJNOLVXDZ-XUXIUFHCSA-N 2 0 326.441 -0.545 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC001333534920 841900334 /nfs/dbraw/zinc/90/03/34/841900334.db2.gz JGUHCRLZVSUCIG-UHFFFAOYSA-N 2 0 327.473 -0.673 20 0 EBADRP [NH3+]CC(=O)NCC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001333733982 841935281 /nfs/dbraw/zinc/93/52/81/841935281.db2.gz ZDGLNRUCERVRCZ-OAHLLOKOSA-N 2 0 331.420 -0.016 20 0 EBADRP Cn1nnnc1CCC[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC001333896504 841961963 /nfs/dbraw/zinc/96/19/63/841961963.db2.gz XAOCZGLYHWUITG-UHFFFAOYSA-N 2 0 337.472 -0.471 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC2CC[NH2+]CC2)C[C@H]1C[NH+](C)C ZINC001333957499 841975314 /nfs/dbraw/zinc/97/53/14/841975314.db2.gz BVPPMLVENMIJHC-ZIAGYGMSSA-N 3 0 339.484 -0.948 20 0 EBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001333961370 841976014 /nfs/dbraw/zinc/97/60/14/841976014.db2.gz UWEFYCOWXJPRHA-KBPBESRZSA-N 2 0 325.457 -0.922 20 0 EBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)C[C@@H]2C1 ZINC001334756936 842125808 /nfs/dbraw/zinc/12/58/08/842125808.db2.gz FJRYFQFUIQAHDS-LJIZCISZSA-N 2 0 334.464 -0.005 20 0 EBADRP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC001335186216 842217356 /nfs/dbraw/zinc/21/73/56/842217356.db2.gz VKFQOQXGMUNUSH-BPLDGKMQSA-N 2 0 338.452 -0.401 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC001335188772 842218143 /nfs/dbraw/zinc/21/81/43/842218143.db2.gz TUUYUEUPNHCZBC-AWEZNQCLSA-N 2 0 340.468 -0.199 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001336587576 842503130 /nfs/dbraw/zinc/50/31/30/842503130.db2.gz KHLLHAJSNXPNEX-SOUVJXGZSA-N 2 0 340.468 -0.473 20 0 EBADRP C[NH+]1CCN(CC[NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC001336709894 842537011 /nfs/dbraw/zinc/53/70/11/842537011.db2.gz JHGXQDXCUHFYJR-AWEZNQCLSA-N 2 0 346.431 -0.520 20 0 EBADRP C[C@H](CNC(=O)NCCN1CCC([NH3+])CC1)C[NH+]1CCN(C)CC1 ZINC001336830709 842548328 /nfs/dbraw/zinc/54/83/28/842548328.db2.gz UMBFVVCFJSECFY-OAHLLOKOSA-N 2 0 340.516 -0.408 20 0 EBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)C2)CC1 ZINC001337386696 842608826 /nfs/dbraw/zinc/60/88/26/842608826.db2.gz BNSJQENTKOESME-IHRRRGAJSA-N 2 0 337.468 -0.875 20 0 EBADRP O=C(CCN1C(=O)CCC1=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001340931923 843045620 /nfs/dbraw/zinc/04/56/20/843045620.db2.gz ZYOKDODCLRMHBJ-GASCZTMLSA-N 2 0 348.447 -0.047 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001340955776 843047143 /nfs/dbraw/zinc/04/71/43/843047143.db2.gz DDZMVYDPBBEFSX-HUUCEWRRSA-N 2 0 340.468 -0.247 20 0 EBADRP CN1CC[NH2+]C[C@H]1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001341957078 843128868 /nfs/dbraw/zinc/12/88/68/843128868.db2.gz FSRVFLNMTFGWDH-KRWDZBQOSA-N 3 0 345.491 0.000 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1O ZINC001343454627 843238304 /nfs/dbraw/zinc/23/83/04/843238304.db2.gz ZKGMFRTUZSIFFR-CABCVRRESA-N 2 0 342.484 -0.254 20 0 EBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC001345930212 843463570 /nfs/dbraw/zinc/46/35/70/843463570.db2.gz BRCDCIBGSDKDNT-SJLPKXTDSA-N 2 0 349.523 -0.139 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])C[NH+](C)C ZINC001345967436 843466980 /nfs/dbraw/zinc/46/69/80/843466980.db2.gz JXHFZJUYOSNTPJ-MGPQQGTHSA-N 2 0 328.457 -0.297 20 0 EBADRP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001345983461 843469112 /nfs/dbraw/zinc/46/91/12/843469112.db2.gz WHRQEGGLFPJVOL-BYNSBNAKSA-N 2 0 336.436 -0.635 20 0 EBADRP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NCCC[NH+]3CCC[C@H]3C(N)=O)[C@H]2C1 ZINC001346533314 843528125 /nfs/dbraw/zinc/52/81/25/843528125.db2.gz XGGCDOFJOQTUEO-AJNGGQMLSA-N 2 0 337.468 -0.034 20 0 EBADRP C[C@@H](NC(=O)NCCN(C)CCC[NH+](C)C)[C@@H]1C[N@H+](C)CCN1C ZINC001346766426 843549652 /nfs/dbraw/zinc/54/96/52/843549652.db2.gz INFQVVPAFRLGKL-CVEARBPZSA-N 2 0 342.532 -0.197 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001347062901 843585403 /nfs/dbraw/zinc/58/54/03/843585403.db2.gz LGXUXLNTMRWVCL-UBHSHLNASA-N 2 0 326.441 -0.796 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001348322719 843682352 /nfs/dbraw/zinc/68/23/52/843682352.db2.gz WAROEAVGIHXJPR-UHFFFAOYSA-N 2 0 326.441 -0.576 20 0 EBADRP CN1CCO[C@H](C(=O)NCCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001348702794 843738064 /nfs/dbraw/zinc/73/80/64/843738064.db2.gz XNDXFWPATHVBHV-AWEZNQCLSA-N 2 0 326.441 -0.575 20 0 EBADRP C[NH+](C)CCOCCNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001348762742 843743449 /nfs/dbraw/zinc/74/34/49/843743449.db2.gz RFUYFBMEAROLNA-GOEBONIOSA-N 2 0 344.456 -0.911 20 0 EBADRP COCCO[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001348970676 843780975 /nfs/dbraw/zinc/78/09/75/843780975.db2.gz AQMNBVMBLQORJM-OWCLPIDISA-N 2 0 331.457 -0.995 20 0 EBADRP CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC001349982380 843955151 /nfs/dbraw/zinc/95/51/51/843955151.db2.gz KMLRASZQYVLGGU-NSHDSACASA-N 2 0 332.395 -0.052 20 0 EBADRP C[N@H+](CCCN1C(=O)CNC1=O)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001480936340 1125884178 /nfs/dbraw/zinc/88/41/78/1125884178.db2.gz ZXQZKSRXBRUAOE-CYBMUJFWSA-N 2 0 339.440 -0.682 20 0 EBADRP C[N@H+](CCNC(=O)C[NH+]1CCCC1)CC[C@H]1CCS(=O)(=O)C1 ZINC001480946822 1125889200 /nfs/dbraw/zinc/88/92/00/1125889200.db2.gz AYUXAYPVKNNZMU-AWEZNQCLSA-N 2 0 331.482 -0.045 20 0 EBADRP C[C@@H](C(=O)Nc1ncccn1)N(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001480946581 1125889330 /nfs/dbraw/zinc/88/93/30/1125889330.db2.gz SQBBTLSZHANQNH-STQMWFEESA-N 2 0 334.424 -0.197 20 0 EBADRP CCOCCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001481124307 1125927550 /nfs/dbraw/zinc/92/75/50/1125927550.db2.gz ZKEURXAZWOEKRZ-GJZGRUSLSA-N 2 0 340.468 -0.471 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001481230630 1125948569 /nfs/dbraw/zinc/94/85/69/1125948569.db2.gz BJGLMXOGDSPAHT-CQSZACIVSA-N 2 0 346.497 -0.685 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001481252177 1125954061 /nfs/dbraw/zinc/95/40/61/1125954061.db2.gz LOUHAOQPNBIHKY-ZDUSSCGKSA-N 2 0 341.456 -0.390 20 0 EBADRP Cc1nccn1CC(=O)N(C)CC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001481314786 1125970965 /nfs/dbraw/zinc/97/09/65/1125970965.db2.gz LSIGDFMRADNSEJ-AWEZNQCLSA-N 2 0 337.424 -0.777 20 0 EBADRP CN(CC[NH2+]CCS(C)(=O)=O)C(=O)COC1CC[NH+](C)CC1 ZINC001481298307 1125968541 /nfs/dbraw/zinc/96/85/41/1125968541.db2.gz JKZJUEBXVQKBQE-UHFFFAOYSA-N 2 0 335.470 -0.810 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)C[C@H]1C ZINC001671255837 1125995346 /nfs/dbraw/zinc/99/53/46/1125995346.db2.gz AEHMBTIKWLZYSZ-KGLIPLIRSA-N 2 0 348.513 -0.155 20 0 EBADRP C[N@@H+](CC(=O)NC(N)=O)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001481490839 1126002789 /nfs/dbraw/zinc/00/27/89/1126002789.db2.gz KARBDEDTNCROFE-QWHCGFSZSA-N 2 0 339.440 -0.554 20 0 EBADRP C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001481490837 1126002823 /nfs/dbraw/zinc/00/28/23/1126002823.db2.gz KARBDEDTNCROFE-OLZOCXBDSA-N 2 0 339.440 -0.554 20 0 EBADRP Cc1cncn1CC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001481492987 1126003016 /nfs/dbraw/zinc/00/30/16/1126003016.db2.gz PLXAANYDWWASBX-GFCCVEGCSA-N 2 0 336.396 -0.833 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)C[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001481507985 1126005535 /nfs/dbraw/zinc/00/55/35/1126005535.db2.gz DRHYIFSHOUUSMM-RYUDHWBXSA-N 2 0 336.396 -0.753 20 0 EBADRP CC[C@@H](C(N)=O)N1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001481694650 1126040898 /nfs/dbraw/zinc/04/08/98/1126040898.db2.gz UQSBTGAVEFESGN-JSGCOSHPSA-N 2 0 326.441 -0.448 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001481727695 1126046094 /nfs/dbraw/zinc/04/60/94/1126046094.db2.gz NAMWRSDOENDRPD-QWHCGFSZSA-N 2 0 339.440 -0.413 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001482024752 1126072194 /nfs/dbraw/zinc/07/21/94/1126072194.db2.gz JRJLKUDULGOFFC-JOCQHMNTSA-N 2 0 338.456 -0.033 20 0 EBADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001482100512 1126077523 /nfs/dbraw/zinc/07/75/23/1126077523.db2.gz FEYZYVHNKQDRMQ-CHWSQXEVSA-N 2 0 338.456 -0.177 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482159208 1126088507 /nfs/dbraw/zinc/08/85/07/1126088507.db2.gz NEFKFEPNEADHIJ-CHWSQXEVSA-N 2 0 341.456 -0.484 20 0 EBADRP CC(C)C[C@@H](C[NH2+][C@H](C)C(=O)NC(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001482397726 1126144274 /nfs/dbraw/zinc/14/42/74/1126144274.db2.gz CVMIPTHZRRMSPB-OLZOCXBDSA-N 2 0 341.456 -0.214 20 0 EBADRP C[C@H](CNC(=O)C1=NOC2(C1)CC[NH2+]CC2)C[NH+]1CCN(C)CC1 ZINC001648975996 1126206081 /nfs/dbraw/zinc/20/60/81/1126206081.db2.gz FWIQBRIUHVWUAA-CQSZACIVSA-N 2 0 337.468 -0.115 20 0 EBADRP C[NH+]1CCN(c2cc(CNC(=O)[C@]3(C)C[C@@H](O)C[NH2+]3)ccn2)CC1 ZINC001648976591 1126218094 /nfs/dbraw/zinc/21/80/94/1126218094.db2.gz QAOBXDZKANDTQN-PBHICJAKSA-N 2 0 333.436 -0.438 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN(C)CC(=O)NC(N)=O ZINC001482596513 1126224065 /nfs/dbraw/zinc/22/40/65/1126224065.db2.gz SSMRTRNDJMIONB-GFCCVEGCSA-N 2 0 327.429 -0.556 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001409177475 1126224865 /nfs/dbraw/zinc/22/48/65/1126224865.db2.gz ONOXXOHVODQTJL-CQSZACIVSA-N 2 0 340.468 -0.519 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCN1CCNC1=O ZINC001482686063 1126252401 /nfs/dbraw/zinc/25/24/01/1126252401.db2.gz IIYQSLNLBBCVQX-UONOGXRCSA-N 2 0 325.457 -0.162 20 0 EBADRP CC(C)CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482730922 1126262035 /nfs/dbraw/zinc/26/20/35/1126262035.db2.gz JPJANTUUAFAUNB-HZSPNIEDSA-N 2 0 328.457 -0.835 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001482738370 1126272388 /nfs/dbraw/zinc/27/23/88/1126272388.db2.gz FCBQXZRUMGYCKM-KBPBESRZSA-N 2 0 326.441 -0.840 20 0 EBADRP COc1ncccc1C[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001482768106 1126283018 /nfs/dbraw/zinc/28/30/18/1126283018.db2.gz WGOOIZVRKZQQRR-HNNXBMFYSA-N 2 0 336.436 -0.001 20 0 EBADRP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)CC(C)(C)C)cn1 ZINC001482769101 1126283275 /nfs/dbraw/zinc/28/32/75/1126283275.db2.gz GFELSGLFAPWCOM-CQSZACIVSA-N 2 0 325.457 -0.035 20 0 EBADRP Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@]23CC[N@H+](C2)CCC3)cc1=O ZINC001482787405 1126291133 /nfs/dbraw/zinc/29/11/33/1126291133.db2.gz HMAARKQZGGZKFW-QAPCUYQASA-N 2 0 348.447 -0.562 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+]C[C@H](O)CC(F)(F)F ZINC001482793916 1126292554 /nfs/dbraw/zinc/29/25/54/1126292554.db2.gz UAAVDTCVRJAWGN-GHMZBOCLSA-N 2 0 327.347 -0.538 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cnns1 ZINC001482798500 1126294475 /nfs/dbraw/zinc/29/44/75/1126294475.db2.gz HVFZJQRJLPGYMK-AAEUAGOBSA-N 2 0 327.454 -0.021 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C1CC1 ZINC001482798685 1126294617 /nfs/dbraw/zinc/29/46/17/1126294617.db2.gz JIQGSKREEQZONI-GJZGRUSLSA-N 2 0 340.468 -0.452 20 0 EBADRP C[C@@H](CC[NH2+]CCN1C(=O)CNC1=O)NC(=O)C[NH+]1CCCC1 ZINC001482898640 1126300494 /nfs/dbraw/zinc/30/04/94/1126300494.db2.gz GKZWJSPRORQDFQ-LBPRGKRZSA-N 2 0 325.413 -0.882 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001482888385 1126300730 /nfs/dbraw/zinc/30/07/30/1126300730.db2.gz KCYCDSXCFSUWKI-YPMHNXCESA-N 2 0 329.445 -0.487 20 0 EBADRP CCN(CC[NH2+][C@H]1CCCNC1=O)C(=O)COC1CC[NH+](C)CC1 ZINC001482959279 1126306993 /nfs/dbraw/zinc/30/69/93/1126306993.db2.gz ADADQOIMRNSELT-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC1CC(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001409265561 1126324243 /nfs/dbraw/zinc/32/42/43/1126324243.db2.gz PZMQEVRIVQFMIW-UHFFFAOYSA-N 2 0 339.440 -0.589 20 0 EBADRP O=C(C[NH2+]C/C=C\CNC(=O)Cc1c[nH]cn1)NC1CCOCC1 ZINC001483065299 1126328185 /nfs/dbraw/zinc/32/81/85/1126328185.db2.gz RMXPBNLCPMEFBK-UPHRSURJSA-N 2 0 335.408 -0.491 20 0 EBADRP O=C(NC/C=C\C[NH2+]C[C@H](O)Cn1cccn1)C12CC[NH+](CC1)C2 ZINC001483083539 1126330511 /nfs/dbraw/zinc/33/05/11/1126330511.db2.gz LOXWQOQNSJCEPB-OYADATRGSA-N 2 0 333.436 -0.398 20 0 EBADRP C[C@H](C[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001483157117 1126348082 /nfs/dbraw/zinc/34/80/82/1126348082.db2.gz BKCBDKMAGBCJMI-VHDGCEQUSA-N 2 0 348.451 -0.286 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001483163051 1126349031 /nfs/dbraw/zinc/34/90/31/1126349031.db2.gz WIQAEKKLUKNHBZ-LLVKDONJSA-N 2 0 339.440 -0.589 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001483179124 1126350811 /nfs/dbraw/zinc/35/08/11/1126350811.db2.gz QJTDDYLATOZHRP-OLZOCXBDSA-N 2 0 341.456 -0.343 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001483185697 1126351348 /nfs/dbraw/zinc/35/13/48/1126351348.db2.gz RNUAEUNDAQLTPH-GFCCVEGCSA-N 2 0 339.440 -0.980 20 0 EBADRP C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483228395 1126355793 /nfs/dbraw/zinc/35/57/93/1126355793.db2.gz GXJNKVIQQTWYBS-GXTWGEPZSA-N 2 0 346.497 -0.686 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001409360184 1126358107 /nfs/dbraw/zinc/35/81/07/1126358107.db2.gz JOUIIYGBEDYBGG-RYUDHWBXSA-N 2 0 341.456 -0.343 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001409360135 1126358158 /nfs/dbraw/zinc/35/81/58/1126358158.db2.gz JOUIIYGBEDYBGG-NEPJUHHUSA-N 2 0 341.456 -0.343 20 0 EBADRP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001409619565 1126384397 /nfs/dbraw/zinc/38/43/97/1126384397.db2.gz FGOJLPGQWYJBSS-NWDGAFQWSA-N 2 0 341.456 -0.249 20 0 EBADRP O=C(N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)C12CC[NH+](CC1)C2 ZINC001649008843 1126402799 /nfs/dbraw/zinc/40/27/99/1126402799.db2.gz YVMYIFUTHFCHNY-CABCVRRESA-N 2 0 347.463 -0.171 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)NCc1cccnc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001483284119 1126413437 /nfs/dbraw/zinc/41/34/37/1126413437.db2.gz AVMBBTNPDUNHCO-AWEZNQCLSA-N 2 0 345.447 -0.112 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)NC[C@H]1CCOC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001483284117 1126413639 /nfs/dbraw/zinc/41/36/39/1126413639.db2.gz ASZHNABGTSULTP-UONOGXRCSA-N 2 0 338.452 -0.671 20 0 EBADRP C[C@@H](C[NH2+]CC1CCS(=O)(=O)CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001483293287 1126414622 /nfs/dbraw/zinc/41/46/22/1126414622.db2.gz BFPDMYOQNXHNFR-JSGCOSHPSA-N 2 0 331.482 -0.143 20 0 EBADRP CCCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001483458200 1126428859 /nfs/dbraw/zinc/42/88/59/1126428859.db2.gz YUDBLWGQDDOIQM-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001483471329 1126429607 /nfs/dbraw/zinc/42/96/07/1126429607.db2.gz YHINDMJGSQKGNK-UHFFFAOYSA-N 2 0 327.429 -0.636 20 0 EBADRP CN(CCC[NH2+]CC(=O)NC(N)=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001483484560 1126430576 /nfs/dbraw/zinc/43/05/76/1126430576.db2.gz PFXMSCIISHFLLG-UHFFFAOYSA-N 2 0 327.429 -0.506 20 0 EBADRP CN(CCC[NH2+]CCNS(C)(=O)=O)C(=O)C1CC[NH+](C)CC1 ZINC001483489847 1126430818 /nfs/dbraw/zinc/43/08/18/1126430818.db2.gz OOFQKTBYYGVAJQ-UHFFFAOYSA-N 2 0 334.486 -0.685 20 0 EBADRP CCCNC(=O)NC(=O)CN(C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001483417595 1126426072 /nfs/dbraw/zinc/42/60/72/1126426072.db2.gz MZSLHYLORHUSQI-STQMWFEESA-N 2 0 341.456 -0.390 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001483512264 1126432298 /nfs/dbraw/zinc/43/22/98/1126432298.db2.gz UBKNAZXXAONRSF-STQMWFEESA-N 2 0 341.456 -0.247 20 0 EBADRP O=C(NCC1([NH2+]CCN2C(=O)CCC2=O)CC1)C12CC[NH+](CC1)C2 ZINC001670890370 1126475212 /nfs/dbraw/zinc/47/52/12/1126475212.db2.gz ZVJUJJCHAPUVMW-UHFFFAOYSA-N 2 0 334.420 -0.530 20 0 EBADRP COCC[N@H+](CC(N)=O)C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001483819244 1126478950 /nfs/dbraw/zinc/47/89/50/1126478950.db2.gz HFZPBUGAZGTKRT-UHFFFAOYSA-N 2 0 340.468 -0.105 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001484120632 1126507656 /nfs/dbraw/zinc/50/76/56/1126507656.db2.gz QNFDBXXUKUAPHE-DYVFJYSZSA-N 2 0 338.452 -0.038 20 0 EBADRP COCCOCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001484209922 1126520477 /nfs/dbraw/zinc/52/04/77/1126520477.db2.gz ZJXBMCWRKMLQPS-GOEBONIOSA-N 2 0 329.441 -0.703 20 0 EBADRP CN1CC[C@@H]([N@@H+]2CC[C@@](O)(CNC(=O)C3([NH+](C)C)CCC3)C2)C1=O ZINC001484222080 1126524682 /nfs/dbraw/zinc/52/46/82/1126524682.db2.gz BMCVXBUIGODITR-CZUORRHYSA-N 2 0 338.452 -0.746 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CCOCCO)C1 ZINC001484229861 1126532020 /nfs/dbraw/zinc/53/20/20/1126532020.db2.gz DDYBQDOSTASDAN-GOEBONIOSA-N 2 0 329.441 -0.967 20 0 EBADRP C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001484339636 1126564132 /nfs/dbraw/zinc/56/41/32/1126564132.db2.gz YTWSYRLPVYYGTG-NEPJUHHUSA-N 2 0 339.440 -0.508 20 0 EBADRP C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001484355540 1126565138 /nfs/dbraw/zinc/56/51/38/1126565138.db2.gz HIJGKWLIPJQLGC-NEPJUHHUSA-N 2 0 325.413 -0.896 20 0 EBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001484378322 1126566463 /nfs/dbraw/zinc/56/64/63/1126566463.db2.gz WQFRUWHDOIMTNW-UONOGXRCSA-N 2 0 338.452 -0.229 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCS(=O)(=O)C3)C[C@@H]2C1 ZINC001484411688 1126571189 /nfs/dbraw/zinc/57/11/89/1126571189.db2.gz CPTFCFMMMBWEAI-KFWWJZLASA-N 2 0 343.493 -0.237 20 0 EBADRP CC1CC[NH+](CC(=O)N2CCO[C@H](C[NH2+]CC(=O)N(C)C)C2)CC1 ZINC001484694429 1126620492 /nfs/dbraw/zinc/62/04/92/1126620492.db2.gz CCFXQVDRLRJQHU-OAHLLOKOSA-N 2 0 340.468 -0.377 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H](C[NH2+]CC(=O)NC(C)(C)C)C2)C1 ZINC001484699297 1126622656 /nfs/dbraw/zinc/62/26/56/1126622656.db2.gz OEALIENQWWQULG-KBPBESRZSA-N 2 0 340.468 -0.330 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H](C[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001484695392 1126624366 /nfs/dbraw/zinc/62/43/66/1126624366.db2.gz CWRZRAARZOZMPR-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]CCN2CCCC2=O)C1)[NH+](C)C ZINC001484695220 1126624409 /nfs/dbraw/zinc/62/44/09/1126624409.db2.gz AOSSYEGRGNJIEV-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001484695399 1126624521 /nfs/dbraw/zinc/62/45/21/1126624521.db2.gz CWRZRAARZOZMPR-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484847229 1126643974 /nfs/dbraw/zinc/64/39/74/1126643974.db2.gz NYMHHKPREGZIAM-QGZVFWFLSA-N 2 0 340.468 -0.593 20 0 EBADRP CCNC(=O)C[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)CCOCC1 ZINC001484868080 1126648698 /nfs/dbraw/zinc/64/86/98/1126648698.db2.gz YPLKTJQZWREKJT-AWEZNQCLSA-N 2 0 340.468 -0.138 20 0 EBADRP C[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001484961751 1126656428 /nfs/dbraw/zinc/65/64/28/1126656428.db2.gz LGKSRYMEHFCJMS-CQSZACIVSA-N 2 0 343.468 -0.579 20 0 EBADRP O=C(N1CCC(O)(C[NH2+]CCO)CC1)C12CCC[NH+](CCC1)C2 ZINC001484956118 1126658694 /nfs/dbraw/zinc/65/86/94/1126658694.db2.gz YWYCXKZHWUNSHE-UHFFFAOYSA-N 2 0 325.453 -0.202 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCN2CCOCC2)C[C@H]1C ZINC001484982113 1126660712 /nfs/dbraw/zinc/66/07/12/1126660712.db2.gz QHEALENZIRKEHH-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2(CO)CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC001485027204 1126667364 /nfs/dbraw/zinc/66/73/64/1126667364.db2.gz NWOQOCYNRHIVRW-CABCVRRESA-N 2 0 325.453 -0.082 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2(CO)CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC001485027206 1126667572 /nfs/dbraw/zinc/66/75/72/1126667572.db2.gz NWOQOCYNRHIVRW-GJZGRUSLSA-N 2 0 325.453 -0.082 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC2CC(C[NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001485102867 1126673984 /nfs/dbraw/zinc/67/39/84/1126673984.db2.gz VKNGNHKBIOZEGF-IYXRBSQSSA-N 2 0 346.497 -0.638 20 0 EBADRP C[C@@H]([NH2+]CC1CC(NC(=O)C2CC[NH+](C)CC2)C1)C(=O)NC(N)=O ZINC001485101399 1126674033 /nfs/dbraw/zinc/67/40/33/1126674033.db2.gz SNLSWDFEBAHONN-XSRFYTQQSA-N 2 0 339.440 -0.604 20 0 EBADRP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]CCCN1C(=O)CNC1=O ZINC001485229651 1126682879 /nfs/dbraw/zinc/68/28/79/1126682879.db2.gz ZSVBGXLTCHOOTC-CHWSQXEVSA-N 2 0 339.440 -0.493 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CCS(C)(=O)=O)C1 ZINC001485645390 1126788931 /nfs/dbraw/zinc/78/89/31/1126788931.db2.gz FISJPTOFQPXGRS-KGLIPLIRSA-N 2 0 349.497 -0.422 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC2(CO[C@@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001485673876 1126796350 /nfs/dbraw/zinc/79/63/50/1126796350.db2.gz SJGNFJMPMPLPOJ-CQSZACIVSA-N 2 0 340.468 -0.201 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001485684472 1126798515 /nfs/dbraw/zinc/79/85/15/1126798515.db2.gz CZLBQSLWHMRYJW-JHJVBQTASA-N 2 0 339.440 -0.460 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]CCS(C)(=O)=O)C2)CC1 ZINC001485695957 1126805996 /nfs/dbraw/zinc/80/59/96/1126805996.db2.gz PZAVAXKODPZQTA-MQMHXKEQSA-N 2 0 331.482 -0.143 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](C[NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001485702663 1126811352 /nfs/dbraw/zinc/81/13/52/1126811352.db2.gz XNRYFBMSMBYZSH-IHRRRGAJSA-N 2 0 346.497 -0.638 20 0 EBADRP C[C@H](CCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001485727220 1126815162 /nfs/dbraw/zinc/81/51/62/1126815162.db2.gz KKDWYIVJPQRHOK-CHWSQXEVSA-N 2 0 338.456 -0.033 20 0 EBADRP C[C@@H](C(=O)N(C)C)[N@H+](C)CCOCCNC(=O)C1CC[NH+](C)CC1 ZINC001485776009 1126823471 /nfs/dbraw/zinc/82/34/71/1126823471.db2.gz IKUHIDLVAHMLLT-AWEZNQCLSA-N 2 0 342.484 -0.131 20 0 EBADRP C[N@H+](CCOCCNC(=O)C1CC[NH+](C)CC1)[C@@H]1CCCNC1=O ZINC001485776506 1126824525 /nfs/dbraw/zinc/82/45/25/1126824525.db2.gz KOYXRSRROOZLOJ-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCOCC[NH+](C)[C@@H]1CCNC1=O ZINC001485775395 1126836000 /nfs/dbraw/zinc/83/60/00/1126836000.db2.gz FHZYIZMBFZMRAF-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CS(=O)(=O)C4)CC[C@H]21 ZINC001649048068 1126865105 /nfs/dbraw/zinc/86/51/05/1126865105.db2.gz LOKQMAOHJKJJDG-COMQUAJESA-N 2 0 327.450 -0.827 20 0 EBADRP COC[C@@]1(C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C[NH2+]CCO1 ZINC001649086919 1126869693 /nfs/dbraw/zinc/86/96/93/1126869693.db2.gz OYRLATGZWXVYRJ-CZUORRHYSA-N 2 0 327.425 -0.652 20 0 EBADRP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CC(=O)N1CCO[C@@H](C)C1)[NH+](C)C ZINC001493586631 1126880127 /nfs/dbraw/zinc/88/01/27/1126880127.db2.gz ZIRWDDHQQLLGMC-HOCLYGCPSA-N 2 0 342.484 -0.132 20 0 EBADRP C[C@@H](CN(C)C(=O)c1ccn(CC[NH+](C)C)n1)[NH2+][C@@H]1CCNC1=O ZINC001485875734 1126904486 /nfs/dbraw/zinc/90/44/86/1126904486.db2.gz BJAIRJXGCICTFK-QWHCGFSZSA-N 2 0 336.440 -0.617 20 0 EBADRP C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]CCNS(C)(=O)=O ZINC001485918537 1126915507 /nfs/dbraw/zinc/91/55/07/1126915507.db2.gz GULLQIMAYMOKNW-GFCCVEGCSA-N 2 0 334.486 -0.686 20 0 EBADRP CCCNC(=O)C[NH2+][C@@H](CO)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001486011665 1126987051 /nfs/dbraw/zinc/98/70/51/1126987051.db2.gz WGPQOYJMNJMLSE-CYBMUJFWSA-N 2 0 347.419 -0.151 20 0 EBADRP CC[C@H]([NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C(C)C)CC1)C(N)=O ZINC001486048044 1126995584 /nfs/dbraw/zinc/99/55/84/1126995584.db2.gz HIWTTWZTFBGREN-KGLIPLIRSA-N 2 0 328.457 -0.563 20 0 EBADRP CCN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)C[N@H+](C)CC(C)(C)C)C1=O ZINC001486033069 1127003431 /nfs/dbraw/zinc/00/34/31/1127003431.db2.gz FROPLCCMAGWPGH-UONOGXRCSA-N 2 0 342.484 -0.348 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC2CCCC2)C1 ZINC001486061223 1127010552 /nfs/dbraw/zinc/01/05/52/1127010552.db2.gz JOOPVAVCBBVIOP-OCCSQVGLSA-N 2 0 326.441 -0.936 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001486125797 1127035424 /nfs/dbraw/zinc/03/54/24/1127035424.db2.gz BSJUUDKQROWJAG-CHWSQXEVSA-N 2 0 341.456 -0.247 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001486131080 1127043076 /nfs/dbraw/zinc/04/30/76/1127043076.db2.gz POXNNUJEYNXQKC-CHWSQXEVSA-N 2 0 326.441 -0.578 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC(=O)NC(N)=O)C(C)(C)C1 ZINC001486228322 1127060997 /nfs/dbraw/zinc/06/09/97/1127060997.db2.gz LPMFZCDKBXJRGE-QWRGUYRKSA-N 2 0 325.413 -0.898 20 0 EBADRP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001486280843 1127077392 /nfs/dbraw/zinc/07/73/92/1127077392.db2.gz JQAITBOSOXGIKC-GJZGRUSLSA-N 2 0 340.468 -0.452 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001486304080 1127108799 /nfs/dbraw/zinc/10/87/99/1127108799.db2.gz YHEUJXDDTUXYPM-GJZGRUSLSA-N 2 0 342.484 -0.254 20 0 EBADRP CC1CC[NH+](CC(=O)N(C)C[C@@H](O)C[NH2+]CCn2cncn2)CC1 ZINC001486307388 1127112549 /nfs/dbraw/zinc/11/25/49/1127112549.db2.gz QECGVSUPCVBWNT-HNNXBMFYSA-N 2 0 338.456 -0.581 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001486316868 1127118907 /nfs/dbraw/zinc/11/89/07/1127118907.db2.gz ADBNHPHZCHPNNG-KBPBESRZSA-N 2 0 338.456 -0.486 20 0 EBADRP CN(C[C@@H](O)C[NH2+]C[C@H]1CCc2ncnn21)C(=O)C[NH+]1CCCC1 ZINC001486317760 1127119817 /nfs/dbraw/zinc/11/98/17/1127119817.db2.gz QLTVEOSZWHJIKX-KGLIPLIRSA-N 2 0 336.440 -0.730 20 0 EBADRP CC[N@H+](C)CCC(=O)N(C)C[C@@H](O)C[NH+](C)[C@@H]1CCCN(C)C1=O ZINC001486353523 1127148189 /nfs/dbraw/zinc/14/81/89/1127148189.db2.gz YTUBPPQKGJMICQ-LSDHHAIUSA-N 2 0 342.484 -0.300 20 0 EBADRP CN(C[C@H](O)C[N@H+](C)CCN1CCCC1=O)C(=O)C[NH+]1CCCC1 ZINC001486356619 1127150166 /nfs/dbraw/zinc/15/01/66/1127150166.db2.gz PAXMWAZRWDTKSS-OAHLLOKOSA-N 2 0 340.468 -0.544 20 0 EBADRP CC(C)(C)[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001486422135 1127169439 /nfs/dbraw/zinc/16/94/39/1127169439.db2.gz AUMBGDPPFLIXDV-LLVKDONJSA-N 2 0 327.429 -0.602 20 0 EBADRP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001486475592 1127182536 /nfs/dbraw/zinc/18/25/36/1127182536.db2.gz SUSGSZPBUOITNP-WLYUNCDWSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)CCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001409979745 1127291958 /nfs/dbraw/zinc/29/19/58/1127291958.db2.gz RXKFAUYYZUVMCK-CABCVRRESA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001487179664 1127422253 /nfs/dbraw/zinc/42/22/53/1127422253.db2.gz OLISSFXORUXKFN-KBPBESRZSA-N 2 0 340.468 -0.521 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NC[C@@H](O)CNC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC001410134626 1127604606 /nfs/dbraw/zinc/60/46/06/1127604606.db2.gz DQRYHBMPQHVWBF-BYNSBNAKSA-N 2 0 340.468 -0.596 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001410148515 1127611243 /nfs/dbraw/zinc/61/12/43/1127611243.db2.gz NPMSTRPSYPXDON-AWEZNQCLSA-N 2 0 338.452 -0.983 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001410141450 1127611814 /nfs/dbraw/zinc/61/18/14/1127611814.db2.gz USYFHLBRDLIABU-AWEZNQCLSA-N 2 0 342.484 -0.206 20 0 EBADRP C[N@H+](CCNS(C)(=O)=O)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001410256269 1127660728 /nfs/dbraw/zinc/66/07/28/1127660728.db2.gz GHCFGPBBWCFDKC-UHFFFAOYSA-N 2 0 346.497 -0.446 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001410372203 1127692090 /nfs/dbraw/zinc/69/20/90/1127692090.db2.gz FTVOLSINFBTSHC-GRYCIOLGSA-N 2 0 327.429 -0.652 20 0 EBADRP C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001410496126 1127729095 /nfs/dbraw/zinc/72/90/95/1127729095.db2.gz CNNLMLLIFRGGRI-OLZOCXBDSA-N 2 0 341.456 -0.118 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C(C)C)CC[N@@H+]1C ZINC001410646982 1127787780 /nfs/dbraw/zinc/78/77/80/1127787780.db2.gz FAOWXLYBBFOWFP-SOUVJXGZSA-N 2 0 342.484 -0.350 20 0 EBADRP O=C(NC[C@H](CO)[NH2+]CCn1cccn1)C12CCC[NH+](CCC1)C2 ZINC001410675209 1127806623 /nfs/dbraw/zinc/80/66/23/1127806623.db2.gz 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/nfs/dbraw/zinc/32/03/20/1132320320.db2.gz LDMUMEKVDWGACK-BFHYXJOUSA-N 2 0 331.482 -0.381 20 0 EBADRP CC[N@H+](C)[C@@H]1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC001365752721 1132790610 /nfs/dbraw/zinc/79/06/10/1132790610.db2.gz ACOBPOPSIHNWJR-OAHLLOKOSA-N 2 0 332.514 -0.020 20 0 EBADRP C[NH+](C)CC1(C(=O)NC[C@H]2C[C@@H]([NH2+]CCS(C)(=O)=O)C2)CC1 ZINC001365822450 1132819316 /nfs/dbraw/zinc/81/93/16/1132819316.db2.gz UNNWVOQIPSLPRE-BETUJISGSA-N 2 0 331.482 -0.143 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001365823299 1132819381 /nfs/dbraw/zinc/81/93/81/1132819381.db2.gz VPJMUSZZCDVDFX-KFWWJZLASA-N 2 0 337.468 -0.162 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1)C(=O)NC(N)=O ZINC001365835785 1132825412 /nfs/dbraw/zinc/82/54/12/1132825412.db2.gz VYBDQSCDGRTMDW-FIQHERPVSA-N 2 0 325.413 -0.852 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001365861206 1132837410 /nfs/dbraw/zinc/83/74/10/1132837410.db2.gz JVIXFVANOKKLHO-OLZOCXBDSA-N 2 0 341.456 -0.260 20 0 EBADRP C[C@@H](O)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001365870730 1132848812 /nfs/dbraw/zinc/84/88/12/1132848812.db2.gz GTEYSNWVOOLJEW-LLVKDONJSA-N 2 0 335.408 -0.635 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001365926601 1132889709 /nfs/dbraw/zinc/88/97/09/1132889709.db2.gz JZTYUWVHZDGBSA-OLZOCXBDSA-N 2 0 341.456 -0.119 20 0 EBADRP C[C@H](O)C[NH+]1CCN(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001365966051 1132929349 /nfs/dbraw/zinc/92/93/49/1132929349.db2.gz MAZBPTNYEXTYDX-INIZCTEOSA-N 2 0 326.485 -0.023 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)Nc2cnccn2)C2CC2)C1 ZINC001366075214 1132991218 /nfs/dbraw/zinc/99/12/18/1132991218.db2.gz GCDCEHHTTMWFGD-UONOGXRCSA-N 2 0 346.435 -0.149 20 0 EBADRP CC1CC[NH+](CC(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001366097130 1133002188 /nfs/dbraw/zinc/00/21/88/1133002188.db2.gz GHHMVIJUWPBRME-LBPRGKRZSA-N 2 0 325.413 -0.896 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001366109919 1133010245 /nfs/dbraw/zinc/01/02/45/1133010245.db2.gz BSKCZNMSSBBNHF-DCAQKATOSA-N 2 0 331.392 -0.902 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001366112158 1133011223 /nfs/dbraw/zinc/01/12/23/1133011223.db2.gz KDTAZROZDXASEK-KKOKHZNYSA-N 2 0 345.419 -0.514 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001366121547 1133016670 /nfs/dbraw/zinc/01/66/70/1133016670.db2.gz RWFHROIUYVBMGM-IHRRRGAJSA-N 2 0 343.493 0.000 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CCC[C@H](C[NH2+]CC(N)=O)C2)n1 ZINC001366195840 1133050787 /nfs/dbraw/zinc/05/07/87/1133050787.db2.gz SIROFBBOPXEZIG-CYBMUJFWSA-N 2 0 336.440 -0.628 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001366215494 1133059772 /nfs/dbraw/zinc/05/97/72/1133059772.db2.gz GOKTVNBNRWPNLT-GFCCVEGCSA-N 2 0 339.440 -0.506 20 0 EBADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001366228374 1133064592 /nfs/dbraw/zinc/06/45/92/1133064592.db2.gz HAPUKOWDKJBIIS-VXGBXAGGSA-N 2 0 327.429 -0.650 20 0 EBADRP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001366234565 1133067428 /nfs/dbraw/zinc/06/74/28/1133067428.db2.gz WYJYYMSBDXRSKY-STQMWFEESA-N 2 0 339.440 -0.506 20 0 EBADRP CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21)[NH+](C)C ZINC001366238203 1133070129 /nfs/dbraw/zinc/07/01/29/1133070129.db2.gz YHZOEHLIVSACSO-FIDHJVLJSA-N 2 0 349.479 -0.123 20 0 EBADRP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001366289608 1133086905 /nfs/dbraw/zinc/08/69/05/1133086905.db2.gz SLSJALXIWKLBJO-KBPBESRZSA-N 2 0 340.468 -0.188 20 0 EBADRP CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001366300788 1133090766 /nfs/dbraw/zinc/09/07/66/1133090766.db2.gz SAWFSLWZCFIIRG-ZDUSSCGKSA-N 2 0 328.457 -0.425 20 0 EBADRP C[C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CC(=O)NC(N)=O ZINC001366336595 1133103403 /nfs/dbraw/zinc/10/34/03/1133103403.db2.gz OHZVQJHNJCAYJG-BONVTDFDSA-N 2 0 345.419 -0.512 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001366364796 1133112903 /nfs/dbraw/zinc/11/29/03/1133112903.db2.gz OPKVRXDNKLXUFQ-LBPRGKRZSA-N 2 0 349.435 -0.088 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001366370856 1133115780 /nfs/dbraw/zinc/11/57/80/1133115780.db2.gz YDQWKPQZSAPUKE-TZMCWYRMSA-N 2 0 341.456 -0.343 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001366388351 1133125077 /nfs/dbraw/zinc/12/50/77/1133125077.db2.gz ANUAGVOLMAHHQB-RYUDHWBXSA-N 2 0 325.413 -0.883 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001366394722 1133128390 /nfs/dbraw/zinc/12/83/90/1133128390.db2.gz YCQCSSYZNIHFMM-ZDUSSCGKSA-N 2 0 339.440 -0.493 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001366440059 1133145781 /nfs/dbraw/zinc/14/57/81/1133145781.db2.gz YTOZRXIMLKTUER-CHWSQXEVSA-N 2 0 339.440 -0.412 20 0 EBADRP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCN(C)S(C)(=O)=O ZINC001366478013 1133154180 /nfs/dbraw/zinc/15/41/80/1133154180.db2.gz PZKWKVCTHIOEOI-ZIAGYGMSSA-N 2 0 348.513 -0.154 20 0 EBADRP C[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCN(C)S(C)(=O)=O ZINC001366478011 1133154380 /nfs/dbraw/zinc/15/43/80/1133154380.db2.gz PZKWKVCTHIOEOI-UONOGXRCSA-N 2 0 348.513 -0.154 20 0 EBADRP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC(=O)N1CCOCC1 ZINC001366482461 1133156551 /nfs/dbraw/zinc/15/65/51/1133156551.db2.gz FYYASTAYMAQZEZ-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001366493313 1133158011 /nfs/dbraw/zinc/15/80/11/1133158011.db2.gz AWEGELHYIZXFSL-LLVKDONJSA-N 2 0 325.413 -0.978 20 0 EBADRP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H](C)C(=O)NC(N)=O ZINC001366729837 1133273366 /nfs/dbraw/zinc/27/33/66/1133273366.db2.gz UBKPAEOTIPTTJE-VXGBXAGGSA-N 2 0 327.429 -0.650 20 0 EBADRP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@H](C)C(=O)NC(N)=O ZINC001366729744 1133273775 /nfs/dbraw/zinc/27/37/75/1133273775.db2.gz UBKPAEOTIPTTJE-NEPJUHHUSA-N 2 0 327.429 -0.650 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001366769667 1133290525 /nfs/dbraw/zinc/29/05/25/1133290525.db2.gz LORVRNZJMZLNHA-QJPTWQEYSA-N 2 0 327.429 -0.781 20 0 EBADRP C[C@H](O)C[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001366848946 1133318336 /nfs/dbraw/zinc/31/83/36/1133318336.db2.gz MYTWPWVVBZCQDY-ARFHVFGLSA-N 2 0 326.485 -0.217 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001366899172 1133351300 /nfs/dbraw/zinc/35/13/00/1133351300.db2.gz ZSSYWYDEVCTDMV-HRCADAONSA-N 2 0 325.453 -0.084 20 0 EBADRP CC[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001367092316 1133472467 /nfs/dbraw/zinc/47/24/67/1133472467.db2.gz HNTFQOAXLBFXJP-OLZOCXBDSA-N 2 0 336.440 -0.565 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001367203867 1133500452 /nfs/dbraw/zinc/50/04/52/1133500452.db2.gz WPSNGWCBXWSTOS-AVGNSLFASA-N 2 0 339.440 -0.460 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001367221421 1133505855 /nfs/dbraw/zinc/50/58/55/1133505855.db2.gz IPOCHTJXGGSUNW-RWMBFGLXSA-N 2 0 339.440 -0.508 20 0 EBADRP C[C@@H]([NH2+]C[C@@](C)(NC(=O)C[NH+]1CCCC1)C1CC1)C(=O)NC(N)=O ZINC001367244593 1133513114 /nfs/dbraw/zinc/51/31/14/1133513114.db2.gz SFXZWSYBTLDXLQ-BDJLRTHQSA-N 2 0 339.440 -0.460 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001367249423 1133515683 /nfs/dbraw/zinc/51/56/83/1133515683.db2.gz RSCYUUYARFNBSH-QWHCGFSZSA-N 2 0 341.456 -0.343 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001367271742 1133521651 /nfs/dbraw/zinc/52/16/51/1133521651.db2.gz VLAMPRARBFEGQC-GFCCVEGCSA-N 2 0 341.456 -0.484 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC1CCOCC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001367376869 1133570442 /nfs/dbraw/zinc/57/04/42/1133570442.db2.gz NXFKDIKNBCNBCP-UKRRQHHQSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001367397415 1133577317 /nfs/dbraw/zinc/57/73/17/1133577317.db2.gz PELODQTVGPICTN-STQMWFEESA-N 2 0 341.456 -0.262 20 0 EBADRP C[C@H](C[NH2+]CC(=O)N1CCOCC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001367408963 1133581610 /nfs/dbraw/zinc/58/16/10/1133581610.db2.gz VVVIRYBEYIZOET-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001367443471 1133590475 /nfs/dbraw/zinc/59/04/75/1133590475.db2.gz MBKJSSBAZQRUNN-RYUDHWBXSA-N 2 0 325.413 -0.896 20 0 EBADRP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[NH+]3CCC2CC3)nn1C ZINC001367589781 1133660851 /nfs/dbraw/zinc/66/08/51/1133660851.db2.gz MSFSNSCZHJGURW-CVEARBPZSA-N 2 0 335.452 -0.363 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CC2)CC[N@@H+]1C ZINC001367594181 1133667408 /nfs/dbraw/zinc/66/74/08/1133667408.db2.gz XJBAJGHACZTOLV-MELADBBJSA-N 2 0 326.441 -0.938 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCCCCC1 ZINC001367607279 1133686867 /nfs/dbraw/zinc/68/68/67/1133686867.db2.gz XQSMGVVFHWMCOW-AWEZNQCLSA-N 2 0 328.457 -0.593 20 0 EBADRP CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001367609369 1133689588 /nfs/dbraw/zinc/68/95/88/1133689588.db2.gz QOOUVSJUWPEERO-ZIAGYGMSSA-N 2 0 338.452 -0.698 20 0 EBADRP COc1ncccc1C[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001367624020 1133710707 /nfs/dbraw/zinc/71/07/07/1133710707.db2.gz PMPMDSMEMVLDKI-CQSZACIVSA-N 2 0 334.420 -0.247 20 0 EBADRP O=C(CCC[NH+]1CCCCC1)NC[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001367624741 1133711149 /nfs/dbraw/zinc/71/11/49/1133711149.db2.gz BYWSSBDZBKUEAY-KGLIPLIRSA-N 2 0 326.441 -0.792 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(C)(C)C ZINC001367626531 1133713904 /nfs/dbraw/zinc/71/39/04/1133713904.db2.gz GMHMNNUPTAGMKU-KGLIPLIRSA-N 2 0 342.484 -0.158 20 0 EBADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)C(=O)Nc1ncccn1 ZINC001367770873 1133778411 /nfs/dbraw/zinc/77/84/11/1133778411.db2.gz HYJQOBVPPXYVEW-QWHCGFSZSA-N 2 0 346.435 -0.006 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)Nc1nncs1 ZINC001367774599 1133780197 /nfs/dbraw/zinc/78/01/97/1133780197.db2.gz LIZGUPZVOZCQMI-JTQLQIEISA-N 2 0 328.442 -0.089 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001367998583 1133886969 /nfs/dbraw/zinc/88/69/69/1133886969.db2.gz UXPSXTKEMIDDLN-RYUDHWBXSA-N 2 0 339.440 -0.319 20 0 EBADRP O=C(C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1)NC(=O)NC1CC1 ZINC001368025615 1133902970 /nfs/dbraw/zinc/90/29/70/1133902970.db2.gz ABILQXDTKLPQSY-UHFFFAOYSA-N 2 0 349.435 -0.691 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]C2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)CCO1 ZINC001368034623 1133906425 /nfs/dbraw/zinc/90/64/25/1133906425.db2.gz JCQJEZJBSBEYDU-UONOGXRCSA-N 2 0 338.452 -0.576 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001368100109 1133937329 /nfs/dbraw/zinc/93/73/29/1133937329.db2.gz AOEISGNMORJUTJ-FRRDWIJNSA-N 2 0 339.440 -0.637 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C[C@H]1C ZINC001368107029 1133941418 /nfs/dbraw/zinc/94/14/18/1133941418.db2.gz VKKMRSNOVTYDEE-NEPJUHHUSA-N 2 0 327.429 -0.508 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C[C@@H]1C ZINC001368107053 1133941436 /nfs/dbraw/zinc/94/14/36/1133941436.db2.gz VKKMRSNOVTYDEE-RYUDHWBXSA-N 2 0 327.429 -0.508 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001368110014 1133942225 /nfs/dbraw/zinc/94/22/25/1133942225.db2.gz PQAOGJZOXSSOGU-UONOGXRCSA-N 2 0 331.482 -0.047 20 0 EBADRP C[C@@H]([NH2+]C[C@]1(C)CCN(C(=O)CCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001368201788 1133988461 /nfs/dbraw/zinc/98/84/61/1133988461.db2.gz WPNXYNRHTJINJI-WBMJQRKESA-N 2 0 341.456 -0.260 20 0 EBADRP C[C@H]([NH2+]C[C@@]1(C)CCN(C(=O)CCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001368201779 1133988928 /nfs/dbraw/zinc/98/89/28/1133988928.db2.gz WPNXYNRHTJINJI-BLLLJJGKSA-N 2 0 341.456 -0.260 20 0 EBADRP CC[C@H](C(=O)NCC1([NH2+]CC(=O)N(C)C)CCOCC1)[NH+](C)C ZINC001368235441 1134002706 /nfs/dbraw/zinc/00/27/06/1134002706.db2.gz FLTJVEDSRFIYFT-CYBMUJFWSA-N 2 0 328.457 -0.330 20 0 EBADRP Cn1cc(CC[N@@H+]2CC[C@](O)(CNC(=O)C[NH+](C)C3CCC3)C2)cn1 ZINC001368253510 1134034948 /nfs/dbraw/zinc/03/49/48/1134034948.db2.gz SRIKSHCCOWELRB-SFHVURJKSA-N 2 0 349.479 0.000 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@H+](CCn3cncn3)C2)CC1 ZINC001368254054 1134036609 /nfs/dbraw/zinc/03/66/09/1134036609.db2.gz AIGACPUFURPRTJ-MRXNPFEDSA-N 2 0 336.440 -0.827 20 0 EBADRP O=C(NC[C@@]1(O)CC[N@@H+](CCCO)C1)C12CCC[NH+](CCC1)C2 ZINC001368264879 1134062830 /nfs/dbraw/zinc/06/28/30/1134062830.db2.gz ZMYLMMWOFGNWPM-KRWDZBQOSA-N 2 0 325.453 -0.202 20 0 EBADRP C[NH+]1CCC(OCC(=O)NC[C@@]2(O)CC[N@H+](CCCO)C2)CC1 ZINC001368280176 1134093874 /nfs/dbraw/zinc/09/38/74/1134093874.db2.gz UBPHYCQTSANLLL-INIZCTEOSA-N 2 0 329.441 -0.967 20 0 EBADRP COC[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001368359274 1134164018 /nfs/dbraw/zinc/16/40/18/1134164018.db2.gz XRXAMJVCCGAQMZ-XUWVNRHRSA-N 2 0 325.453 -0.132 20 0 EBADRP CN1CCC[C@H]([NH2+]CCN(CCO)C(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001368413636 1134212981 /nfs/dbraw/zinc/21/29/81/1134212981.db2.gz SBCOFWAWKLKDBN-CABCVRRESA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCO[C@H](C[NH2+]CC(=O)N3CCC3)C2)CC1 ZINC001368513140 1134265393 /nfs/dbraw/zinc/26/53/93/1134265393.db2.gz XZNCBFSUBCPQTH-OAHLLOKOSA-N 2 0 338.452 -0.623 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@H](C[NH2+]CC(=O)N2CCCC2)C1 ZINC001368514592 1134266746 /nfs/dbraw/zinc/26/67/46/1134266746.db2.gz NUDAZQCXLQDRQB-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(CCC[N@H+](C)CCN(C)S(C)(=O)=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001368563034 1134291067 /nfs/dbraw/zinc/29/10/67/1134291067.db2.gz BATAUCFAXMDATL-AWEZNQCLSA-N 2 0 348.513 -0.390 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1)C(N)=O ZINC001368568993 1134295353 /nfs/dbraw/zinc/29/53/53/1134295353.db2.gz MILPSUVLXUXNOT-MGPQQGTHSA-N 2 0 340.468 -0.297 20 0 EBADRP CCC[N@H+](C)CCC(=O)NC1(C[NH2+][C@H]2CCNC2=O)CCOCC1 ZINC001368638130 1134348449 /nfs/dbraw/zinc/34/84/49/1134348449.db2.gz SPVRORPAAPPZCO-AWEZNQCLSA-N 2 0 340.468 -0.138 20 0 EBADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]CCS(C)(=O)=O ZINC001368651917 1134355681 /nfs/dbraw/zinc/35/56/81/1134355681.db2.gz FQUKLPSXJCXEAL-STQMWFEESA-N 2 0 329.466 -0.437 20 0 EBADRP COC[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001368681645 1134379897 /nfs/dbraw/zinc/37/98/97/1134379897.db2.gz BMXSWZWKJXLBPP-QLFBSQMISA-N 2 0 343.468 -0.723 20 0 EBADRP NC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001368684738 1134384144 /nfs/dbraw/zinc/38/41/44/1134384144.db2.gz GTDPZNFRCBFUQN-UONOGXRCSA-N 2 0 338.452 -0.568 20 0 EBADRP C[C@@H]([NH2+][C@@H](C)CCNC(=O)C1([NH+](C)C)CCC1)C(=O)NC(N)=O ZINC001368718427 1134405377 /nfs/dbraw/zinc/40/53/77/1134405377.db2.gz PRMGBSPBIBTTNA-WDEREUQCSA-N 2 0 327.429 -0.462 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001368740643 1134414847 /nfs/dbraw/zinc/41/48/47/1134414847.db2.gz FLQYIQBQFXEOPV-QWHCGFSZSA-N 2 0 341.456 -0.342 20 0 EBADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001368861013 1134467265 /nfs/dbraw/zinc/46/72/65/1134467265.db2.gz HAPPTBMQICHNGT-WDEREUQCSA-N 2 0 327.429 -0.591 20 0 EBADRP C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)[NH2+]CCn1cncn1 ZINC001368885469 1134475124 /nfs/dbraw/zinc/47/51/24/1134475124.db2.gz FROXFJJYZRNFFP-UONOGXRCSA-N 2 0 338.456 -0.128 20 0 EBADRP C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001368889181 1134476299 /nfs/dbraw/zinc/47/62/99/1134476299.db2.gz NVUZMVUKJFAMNM-CHWSQXEVSA-N 2 0 328.457 -0.332 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2(C[NH2+]CC(=O)NC(N)=O)CCCCC2)C1 ZINC001369057654 1134546403 /nfs/dbraw/zinc/54/64/03/1134546403.db2.gz NVUPXHWSORIYMS-LBPRGKRZSA-N 2 0 339.440 -0.458 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CO[C@@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001369158407 1134599331 /nfs/dbraw/zinc/59/93/31/1134599331.db2.gz JGKQQNGYNPBYIO-KGLIPLIRSA-N 2 0 338.452 -0.447 20 0 EBADRP CNC(=O)C[NH2+][C@H](C)[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC001369159927 1134600409 /nfs/dbraw/zinc/60/04/09/1134600409.db2.gz OQHINEBOTADLKJ-CABCVRRESA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)C(=O)NC(N)=O ZINC001369177631 1134607663 /nfs/dbraw/zinc/60/76/63/1134607663.db2.gz BUIVXZZXEKTMSE-IJLUTSLNSA-N 2 0 337.424 -0.850 20 0 EBADRP CCN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001369321484 1134661938 /nfs/dbraw/zinc/66/19/38/1134661938.db2.gz DUWUCZIRXDDVEG-TZMCWYRMSA-N 2 0 326.441 -0.842 20 0 EBADRP CCN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001369321464 1134661956 /nfs/dbraw/zinc/66/19/56/1134661956.db2.gz DUWUCZIRXDDVEG-GXTWGEPZSA-N 2 0 326.441 -0.842 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(C)(C)C)[NH+](C)C ZINC001369343800 1134691173 /nfs/dbraw/zinc/69/11/73/1134691173.db2.gz CENYFLAZENAJQQ-GXTWGEPZSA-N 2 0 330.473 -0.446 20 0 EBADRP C[NH+](C)Cc1cccc(C(=O)NC[C@@H](CO)[NH2+][C@H]2CCNC2=O)c1 ZINC001369373644 1134729995 /nfs/dbraw/zinc/72/99/95/1134729995.db2.gz LRMMPHDQNQCTRT-GJZGRUSLSA-N 2 0 334.420 -0.683 20 0 EBADRP CNC(=O)c1cccc(C[NH2+][C@@H](CO)CNC(=O)C[NH+]2CCCC2)c1 ZINC001369383420 1134745541 /nfs/dbraw/zinc/74/55/41/1134745541.db2.gz NXARARNRRCINPF-MRXNPFEDSA-N 2 0 348.447 -0.291 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC(C)(C)C)C1 ZINC001369387632 1134749461 /nfs/dbraw/zinc/74/94/61/1134749461.db2.gz VCFLECMXRXIIHO-OLZOCXBDSA-N 2 0 328.457 -0.833 20 0 EBADRP CC[C@@H](C(=O)N1C[C@H]([NH2+]CC(=O)NC(=O)NC)C(C)(C)C1)[NH+](C)C ZINC001369435631 1134777846 /nfs/dbraw/zinc/77/78/46/1134777846.db2.gz HDVNYRJXKLLQAL-RYUDHWBXSA-N 2 0 341.456 -0.391 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001369465794 1134810960 /nfs/dbraw/zinc/81/09/60/1134810960.db2.gz CETLJNZOASJWLI-KBPBESRZSA-N 2 0 328.457 -0.596 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001369472750 1134829077 /nfs/dbraw/zinc/82/90/77/1134829077.db2.gz LDGJKHHMOLPKJH-CHWSQXEVSA-N 2 0 326.441 -0.842 20 0 EBADRP CC1CC[NH+](CC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001369483373 1134852098 /nfs/dbraw/zinc/85/20/98/1134852098.db2.gz NBINFUNUDRPXIN-UONOGXRCSA-N 2 0 326.441 -0.984 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC12CC[NH+](CC(=O)NC(N)=O)CC2 ZINC001370077111 1135192180 /nfs/dbraw/zinc/19/21/80/1135192180.db2.gz GTUWTLVHYPQQMN-GFCCVEGCSA-N 2 0 339.440 -0.506 20 0 EBADRP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1)[NH+](C)C ZINC001370545025 1135402978 /nfs/dbraw/zinc/40/29/78/1135402978.db2.gz DJNJOWQAMFNUFG-DDHJBXDOSA-N 2 0 327.429 -0.607 20 0 EBADRP CCCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001370564748 1135411223 /nfs/dbraw/zinc/41/12/23/1135411223.db2.gz UTEBGNXKUYCRDA-KKUMJFAQSA-N 2 0 340.468 -0.282 20 0 EBADRP CCCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001370564749 1135411825 /nfs/dbraw/zinc/41/18/25/1135411825.db2.gz UTEBGNXKUYCRDA-RBSFLKMASA-N 2 0 340.468 -0.282 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCc3cccnc3)C2)C1 ZINC001370564799 1135412064 /nfs/dbraw/zinc/41/20/64/1135412064.db2.gz VSQQOEVBUUWNKU-JYJNAYRXSA-N 2 0 345.447 -0.114 20 0 EBADRP O=C(C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1)Nc1nncs1 ZINC001370718068 1135541122 /nfs/dbraw/zinc/54/11/22/1135541122.db2.gz UVWMZCOATOUDHV-PHIMTYICSA-N 2 0 338.437 -0.191 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](CO)CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001370728724 1135557124 /nfs/dbraw/zinc/55/71/24/1135557124.db2.gz JXWKYCYUHPLOFE-ZIAGYGMSSA-N 2 0 340.468 -0.594 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+](CCNS(C)(=O)=O)C2)C1 ZINC001370787755 1135632493 /nfs/dbraw/zinc/63/24/93/1135632493.db2.gz JBBGTHDEBCDTLZ-KGLIPLIRSA-N 2 0 346.497 -0.685 20 0 EBADRP CC(C)[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)C[NH+]1CCCC1)[NH+](C)C ZINC001371015975 1135778556 /nfs/dbraw/zinc/77/85/56/1135778556.db2.gz LNBLAUWSVHATLV-ZBFHGGJFSA-N 2 0 342.484 -0.396 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001371070193 1135831896 /nfs/dbraw/zinc/83/18/96/1135831896.db2.gz CNUQFMGWGWTVJH-BPCQOVAHSA-N 2 0 339.440 -0.317 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001371462043 1135922931 /nfs/dbraw/zinc/92/29/31/1135922931.db2.gz NROACFCFHRDEQA-RBSFLKMASA-N 2 0 340.468 -0.642 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[C@@H]2CC[NH+](C)C2)C[C@@H]1O ZINC001371540418 1135962642 /nfs/dbraw/zinc/96/26/42/1135962642.db2.gz FUSXLKNGCGKIGE-ZNMIVQPWSA-N 2 0 340.468 -0.642 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001371627734 1135988641 /nfs/dbraw/zinc/98/86/41/1135988641.db2.gz XNKDQFZYPDKGSQ-QWHCGFSZSA-N 2 0 339.440 -0.778 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001371649877 1135992656 /nfs/dbraw/zinc/99/26/56/1135992656.db2.gz WGZVCYVXSXJSMK-VXGBXAGGSA-N 2 0 339.440 -0.460 20 0 EBADRP CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+](C)C ZINC001371826279 1136027984 /nfs/dbraw/zinc/02/79/84/1136027984.db2.gz KSUYCTUJEGQGBC-WCQYABFASA-N 2 0 326.445 -0.321 20 0 EBADRP C[NH+](C)CCC(=O)NCCN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001372218571 1136142454 /nfs/dbraw/zinc/14/24/54/1136142454.db2.gz GQBCNTZDHSDJOL-HNNXBMFYSA-N 2 0 339.484 -0.707 20 0 EBADRP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C[C@@H](O)COC1CCOCC1 ZINC001372223701 1136145371 /nfs/dbraw/zinc/14/53/71/1136145371.db2.gz KFABSXPNHTUCLJ-LSDHHAIUSA-N 2 0 343.468 -0.457 20 0 EBADRP CCCNC(=O)CN1CCC[C@H]1CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001372573026 1136235991 /nfs/dbraw/zinc/23/59/91/1136235991.db2.gz FFOWDKTWCWCEJS-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CCCNC(=O)CN1CCC[C@@H]1CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001372573025 1136236184 /nfs/dbraw/zinc/23/61/84/1136236184.db2.gz FFOWDKTWCWCEJS-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)C1)[NH+](C)C ZINC001372601182 1136242644 /nfs/dbraw/zinc/24/26/44/1136242644.db2.gz AWHKGGJXMKOFKL-LJISPDSOSA-N 2 0 340.468 -0.333 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)C1)[NH+](C)C ZINC001372601190 1136242791 /nfs/dbraw/zinc/24/27/91/1136242791.db2.gz AWHKGGJXMKOFKL-XGUBFFRZSA-N 2 0 340.468 -0.333 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001372611690 1136246128 /nfs/dbraw/zinc/24/61/28/1136246128.db2.gz KHJCQVCMAOKURE-FRRDWIJNSA-N 2 0 339.440 -0.650 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001372937614 1136331735 /nfs/dbraw/zinc/33/17/35/1136331735.db2.gz IWRSSPXQRZXMSW-VXGBXAGGSA-N 2 0 327.429 -0.508 20 0 EBADRP CN(CC[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001372987583 1136347319 /nfs/dbraw/zinc/34/73/19/1136347319.db2.gz FJBWCXWILWBTTD-UONOGXRCSA-N 2 0 348.451 -0.475 20 0 EBADRP COC[C@@H](O)C[NH+]1CCN(CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001373267116 1136413692 /nfs/dbraw/zinc/41/36/92/1136413692.db2.gz NRKHAVBPFMVZQS-HOTGVXAUSA-N 2 0 342.484 -0.979 20 0 EBADRP COC[C@@H](O)C[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001373267111 1136413721 /nfs/dbraw/zinc/41/37/21/1136413721.db2.gz NRKHAVBPFMVZQS-CVEARBPZSA-N 2 0 342.484 -0.979 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1)[NH+](C)C ZINC001373356866 1136434036 /nfs/dbraw/zinc/43/40/36/1136434036.db2.gz RXDACBDHRFYRPI-AVGNSLFASA-N 2 0 341.456 -0.249 20 0 EBADRP CCN1CCO[C@H](C(=O)NCCN(C)C(=O)CC[N@H+](C)CC)C1 ZINC001373474654 1136467938 /nfs/dbraw/zinc/46/79/38/1136467938.db2.gz CJKJIAYYRWOLSS-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001373600164 1136509980 /nfs/dbraw/zinc/50/99/80/1136509980.db2.gz AVMXMIFYCVYGFC-KGLIPLIRSA-N 2 0 346.497 -0.590 20 0 EBADRP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]CC(=O)NC(N)=O ZINC001373805651 1136564115 /nfs/dbraw/zinc/56/41/15/1136564115.db2.gz JKJPRHZSBSBEJV-OLZOCXBDSA-N 2 0 341.456 -0.071 20 0 EBADRP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]CC(=O)NC(N)=O ZINC001373805656 1136564215 /nfs/dbraw/zinc/56/42/15/1136564215.db2.gz JKJPRHZSBSBEJV-STQMWFEESA-N 2 0 341.456 -0.071 20 0 EBADRP C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)C[NH2+][C@@H]1CCNC1=O ZINC001374084999 1136619996 /nfs/dbraw/zinc/61/99/96/1136619996.db2.gz NCVOOOJRBBMTMB-TZMCWYRMSA-N 2 0 336.440 -0.711 20 0 EBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)NCC(F)(F)F ZINC001374108916 1136624039 /nfs/dbraw/zinc/62/40/39/1136624039.db2.gz MVEOLKPWKPBCMN-QWRGUYRKSA-N 2 0 338.374 -0.042 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001374323540 1136673540 /nfs/dbraw/zinc/67/35/40/1136673540.db2.gz CPJBRJUYZCGBQM-NEPJUHHUSA-N 2 0 327.429 -0.637 20 0 EBADRP CC(C)C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374369067 1136678988 /nfs/dbraw/zinc/67/89/88/1136678988.db2.gz UIILBACJJDFPFY-CHWSQXEVSA-N 2 0 338.456 -0.319 20 0 EBADRP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001374378997 1136680301 /nfs/dbraw/zinc/68/03/01/1136680301.db2.gz BJLKKYWOQBNCJS-RYUDHWBXSA-N 2 0 339.440 -0.650 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001374444499 1136688805 /nfs/dbraw/zinc/68/88/05/1136688805.db2.gz QWULFMMOEJDBML-LBPRGKRZSA-N 2 0 339.440 -0.732 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001374445340 1136689415 /nfs/dbraw/zinc/68/94/15/1136689415.db2.gz FKOXEAYMYFNYKX-CYBMUJFWSA-N 2 0 341.456 -0.342 20 0 EBADRP Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)C23CCC[NH+](CCC2)C3)n1 ZINC001374612910 1136746095 /nfs/dbraw/zinc/74/60/95/1136746095.db2.gz BORKUJASEFQLFG-HNNXBMFYSA-N 2 0 335.452 -0.137 20 0 EBADRP Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1=O ZINC001374617459 1136751538 /nfs/dbraw/zinc/75/15/38/1136751538.db2.gz LLLSNKWZDDNOMK-LSDHHAIUSA-N 2 0 336.436 -0.564 20 0 EBADRP C[N@H+](CC(=O)NC[C@@H](O)C[NH2+]C[C@H]1CCc2ncnn21)C1CCC1 ZINC001374617352 1136751566 /nfs/dbraw/zinc/75/15/66/1136751566.db2.gz UIXOOAFEZQBBET-KGLIPLIRSA-N 2 0 336.440 -0.684 20 0 EBADRP Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1=O ZINC001374617458 1136751717 /nfs/dbraw/zinc/75/17/17/1136751717.db2.gz LLLSNKWZDDNOMK-HUUCEWRRSA-N 2 0 336.436 -0.564 20 0 EBADRP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001374619292 1136753625 /nfs/dbraw/zinc/75/36/25/1136753625.db2.gz QFRBWNVPLQESBA-ZDUSSCGKSA-N 2 0 328.457 -0.548 20 0 EBADRP CN1CCC[C@H]([NH2+]C[C@H](O)CNC(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001374635118 1136765139 /nfs/dbraw/zinc/76/51/39/1136765139.db2.gz VIVUUHAONKAGPW-KBPBESRZSA-N 2 0 340.468 -0.452 20 0 EBADRP CCC(C)(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001374667125 1136787545 /nfs/dbraw/zinc/78/75/45/1136787545.db2.gz ATRJMNYRFVEDQN-CYBMUJFWSA-N 2 0 340.468 -0.546 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](O)C[NH2+]Cc1ccns1 ZINC001374681797 1136798019 /nfs/dbraw/zinc/79/80/19/1136798019.db2.gz GBLCWEDIWVTVDI-STQMWFEESA-N 2 0 342.465 -0.322 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+]CC(=O)N1CCCCC1 ZINC001374684496 1136800205 /nfs/dbraw/zinc/80/02/05/1136800205.db2.gz MJRGOWAWEUSFNK-CQSZACIVSA-N 2 0 326.441 -0.839 20 0 EBADRP CCN(CC[NH2+][C@H](C)C(=O)NC(N)=O)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001374706452 1136808838 /nfs/dbraw/zinc/80/88/38/1136808838.db2.gz WLSSGUGLPCNZRM-OLZOCXBDSA-N 2 0 341.456 -0.118 20 0 EBADRP CC[C@H](C(=O)NC1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1)[NH+](C)C ZINC001374717739 1136811927 /nfs/dbraw/zinc/81/19/27/1136811927.db2.gz IBUCNEIPMWDUCO-HUUCEWRRSA-N 2 0 340.468 -0.237 20 0 EBADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cc(=O)n(C)c(=O)n1C)[NH+](C)C ZINC001374835350 1136846213 /nfs/dbraw/zinc/84/62/13/1136846213.db2.gz SEWILKAFNOTWRO-YPMHNXCESA-N 2 0 339.440 -0.982 20 0 EBADRP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O)[NH+]1CCCCC1 ZINC001374981029 1136888380 /nfs/dbraw/zinc/88/83/80/1136888380.db2.gz FUBSWJRVRQYGAH-GXTWGEPZSA-N 2 0 341.456 -0.214 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001374982537 1136889234 /nfs/dbraw/zinc/88/92/34/1136889234.db2.gz SHVRRUSXWHPECA-QWHCGFSZSA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@@H](C[N@H+](C)CCN1CCNC1=O)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001375053660 1136902166 /nfs/dbraw/zinc/90/21/66/1136902166.db2.gz JWVVCWNOKAWJFK-ZFWWWQNUSA-N 2 0 337.468 -0.210 20 0 EBADRP CC[N@H+](CC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)OC)C1CC1 ZINC000337073614 284383202 /nfs/dbraw/zinc/38/32/02/284383202.db2.gz QHFQUDDFOSWZOP-UHFFFAOYSA-N 2 0 340.468 -0.280 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000074171095 375876743 /nfs/dbraw/zinc/87/67/43/375876743.db2.gz ANYJMVGHVAGOLD-CVEARBPZSA-N 2 0 341.500 -0.016 20 0 EBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000643558754 375902189 /nfs/dbraw/zinc/90/21/89/375902189.db2.gz XLQGIJFCGIGTRP-IHRRRGAJSA-N 2 0 326.441 -0.498 20 0 EBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000643581093 375913610 /nfs/dbraw/zinc/91/36/10/375913610.db2.gz MQRZVEISZCEFAD-UONOGXRCSA-N 2 0 331.420 -0.061 20 0 EBADRP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CCC[C@H](Cn3ccnn3)C2)C1=O ZINC000533549474 376003040 /nfs/dbraw/zinc/00/30/40/376003040.db2.gz WTOFLMFWPRDHFL-KBPBESRZSA-N 2 0 334.424 -0.321 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CCSC1 ZINC000642768970 376087621 /nfs/dbraw/zinc/08/76/21/376087621.db2.gz XUMPNJGJADKEAN-IUODEOHRSA-N 2 0 328.482 -0.202 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCSC1 ZINC000642768975 376087657 /nfs/dbraw/zinc/08/76/57/376087657.db2.gz YWPJEQPANZRWOC-HZPDHXFCSA-N 2 0 340.493 -0.248 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCSC1 ZINC000642768974 376088171 /nfs/dbraw/zinc/08/81/71/376088171.db2.gz YWPJEQPANZRWOC-HOTGVXAUSA-N 2 0 340.493 -0.248 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC000642732127 376055976 /nfs/dbraw/zinc/05/59/76/376055976.db2.gz APHCACBUMWAHFH-HZSPNIEDSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCC(C)CC2)CCO1 ZINC000642732158 376056536 /nfs/dbraw/zinc/05/65/36/376056536.db2.gz JQDFAJOWAOIKKC-KBPBESRZSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@H](CCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])[NH+]1CCCCC1 ZINC000584043641 376061857 /nfs/dbraw/zinc/06/18/57/376061857.db2.gz ZQZKIFAFIUYFGU-CABCVRRESA-N 2 0 339.484 -0.532 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642744613 376064545 /nfs/dbraw/zinc/06/45/45/376064545.db2.gz ZZZKCMQLUNEOMM-KGLIPLIRSA-N 2 0 326.441 -0.719 20 0 EBADRP CCN1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000556795234 376141723 /nfs/dbraw/zinc/14/17/23/376141723.db2.gz CEEZAGDPJUDOQZ-UHFFFAOYSA-N 2 0 327.473 -0.898 20 0 EBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000566090502 376344664 /nfs/dbraw/zinc/34/46/64/376344664.db2.gz ILBLCWLEUZETQO-GJZGRUSLSA-N 3 0 341.500 -0.476 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCO1 ZINC000642801641 376297164 /nfs/dbraw/zinc/29/71/64/376297164.db2.gz PJHPXRAQJYASPT-AAEUAGOBSA-N 2 0 340.468 -0.014 20 0 EBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCO1 ZINC000642801642 376297200 /nfs/dbraw/zinc/29/72/00/376297200.db2.gz PJHPXRAQJYASPT-DGCLKSJQSA-N 2 0 340.468 -0.014 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000642854642 376425339 /nfs/dbraw/zinc/42/53/39/376425339.db2.gz OBANYWKZWZPFTI-CWRNSKLLSA-N 2 0 348.447 -0.020 20 0 EBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CCO1 ZINC000642879141 376440287 /nfs/dbraw/zinc/44/02/87/376440287.db2.gz RSWSQVRNRHGHMI-KGLIPLIRSA-N 2 0 340.468 -0.058 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C[C@@H](C)O1 ZINC000642901693 376679058 /nfs/dbraw/zinc/67/90/58/376679058.db2.gz AYUOTRFNRGHNKR-RBSFLKMASA-N 2 0 340.468 -0.140 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)NCC[NH2+]C2CC2)CCN1CC(C)(C)O ZINC000642917934 376748920 /nfs/dbraw/zinc/74/89/20/376748920.db2.gz ICKYBXYYAUOTQL-LBPRGKRZSA-N 2 0 326.441 -0.842 20 0 EBADRP CO[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC[C@H]1C ZINC000560637383 376755821 /nfs/dbraw/zinc/75/58/21/376755821.db2.gz AHZDJJMFZSQJGG-HUUCEWRRSA-N 2 0 342.484 -0.178 20 0 EBADRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)CN3CCOCC3)cn2)CC1 ZINC000560872328 376782589 /nfs/dbraw/zinc/78/25/89/376782589.db2.gz RYYDLXGAIVXGGN-KRWDZBQOSA-N 2 0 349.479 -0.384 20 0 EBADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)C[C@H](C)O1 ZINC000561256698 376823447 /nfs/dbraw/zinc/82/34/47/376823447.db2.gz BOXUJEIJKLVOOH-BETUJISGSA-N 2 0 338.452 -0.578 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000561253285 376823709 /nfs/dbraw/zinc/82/37/09/376823709.db2.gz JLGQTILBDQIWKG-QGZVFWFLSA-N 2 0 340.468 -0.327 20 0 EBADRP CN1CCN(C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H](C[NH3+])C1 ZINC000561234631 376817675 /nfs/dbraw/zinc/81/76/75/376817675.db2.gz QLZATFJNXXWZHM-ZIAGYGMSSA-N 2 0 341.500 -0.430 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](C(N)=O)C(C)(C)C)C1 ZINC000081611610 376998492 /nfs/dbraw/zinc/99/84/92/376998492.db2.gz XGBSFPGNMDVPCL-UKRRQHHQSA-N 2 0 342.484 -0.051 20 0 EBADRP CC[NH2+]CCCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000562831866 377002399 /nfs/dbraw/zinc/00/23/99/377002399.db2.gz WMUBWIBDZDTRDQ-UHFFFAOYSA-N 2 0 340.468 -0.327 20 0 EBADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC1=O ZINC000635933482 377141648 /nfs/dbraw/zinc/14/16/48/377141648.db2.gz IIRIKXKEMOHBQD-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H]([NH3+])C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000570164912 377214534 /nfs/dbraw/zinc/21/45/34/377214534.db2.gz ZOILRCVKDYVVGX-CYBMUJFWSA-N 2 0 325.457 -0.970 20 0 EBADRP COCCN1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000570177440 377214915 /nfs/dbraw/zinc/21/49/15/377214915.db2.gz FKMRHOFKVWLXPL-OAHLLOKOSA-N 2 0 338.452 -0.526 20 0 EBADRP CC[NH+]1CCC(CNC(=O)C(=O)NCC[N@H+](C)CCOC)CC1 ZINC000570705078 377274767 /nfs/dbraw/zinc/27/47/67/377274767.db2.gz URBYIYKWWOCKPL-UHFFFAOYSA-N 2 0 328.457 -0.471 20 0 EBADRP C[NH+](C)C(C)(C)CNC(=O)COCC(=O)NCC(C)(C)[NH+](C)C ZINC000105593752 377366472 /nfs/dbraw/zinc/36/64/72/377366472.db2.gz HZOXLFOENOKQEJ-UHFFFAOYSA-N 2 0 330.473 -0.084 20 0 EBADRP C[NH+](C)CC1CCC(NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627366678 377380195 /nfs/dbraw/zinc/38/01/95/377380195.db2.gz YRUJXKJQZBPEOK-RUXDESIVSA-N 2 0 326.441 -0.672 20 0 EBADRP C[C@@H]1[NH2+]CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)[C@H]1C ZINC000262743790 377394988 /nfs/dbraw/zinc/39/49/88/377394988.db2.gz FJFBGRSOFOZFNN-KKUMJFAQSA-N 2 0 338.452 -0.624 20 0 EBADRP [NH3+]CCCn1cc(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)nn1 ZINC000580063536 377349455 /nfs/dbraw/zinc/34/94/55/377349455.db2.gz JVIJWXQHLXMACT-UHFFFAOYSA-N 2 0 330.396 -0.316 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCSC1 ZINC000627371243 377475699 /nfs/dbraw/zinc/47/56/99/377475699.db2.gz YYCJTWJDCZRSGS-DOMZBBRYSA-N 2 0 340.493 -0.059 20 0 EBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000583452436 377537333 /nfs/dbraw/zinc/53/73/33/377537333.db2.gz JMTOLVCAFDIRIJ-AWEZNQCLSA-N 2 0 338.452 -0.432 20 0 EBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000364333974 377584134 /nfs/dbraw/zinc/58/41/34/377584134.db2.gz CLNOLMYKGBMULY-OAGGEKHMSA-N 2 0 339.484 -0.215 20 0 EBADRP O=C(NCC[N@@H+]1CCCOCC1)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000364737877 377655911 /nfs/dbraw/zinc/65/59/11/377655911.db2.gz TTXXLWLJMPDVEQ-CABCVRRESA-N 2 0 326.441 -0.129 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CS(=O)(=O)NC(C)(C)C ZINC000590817153 377679078 /nfs/dbraw/zinc/67/90/78/377679078.db2.gz JBYWKOMKRZECDR-UHFFFAOYSA-N 2 0 336.502 -0.344 20 0 EBADRP C[NH+]1CCC[C@@H](NC(=O)COCC(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000591871151 377759454 /nfs/dbraw/zinc/75/94/54/377759454.db2.gz SIUDSQIFAKDWPQ-OKILXGFUSA-N 2 0 326.441 -0.576 20 0 EBADRP COC(=O)[C@@H]1C[NH2+]CCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000592984467 377865996 /nfs/dbraw/zinc/86/59/96/377865996.db2.gz NHMSKXKXLMSXOZ-HNNXBMFYSA-N 2 0 340.468 -0.188 20 0 EBADRP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593735938 377910802 /nfs/dbraw/zinc/91/08/02/377910802.db2.gz AIRMZZYNFWMMHF-BFHYXJOUSA-N 2 0 327.425 -0.116 20 0 EBADRP COC(=O)CCN1CC[C@@H]([NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1=O ZINC000595895418 378033061 /nfs/dbraw/zinc/03/30/61/378033061.db2.gz LYQQEPNVMDKDOO-FMKPAKJESA-N 2 0 339.436 -0.021 20 0 EBADRP CCOC(=O)CNC(=O)C1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000595889932 378033278 /nfs/dbraw/zinc/03/32/78/378033278.db2.gz ADHGCJXTIAXKNL-CQSZACIVSA-N 2 0 339.436 -0.101 20 0 EBADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)NC[C@@H]3C[N@@H+]4CCN3CCC4)c21 ZINC000595976475 378042388 /nfs/dbraw/zinc/04/23/88/378042388.db2.gz QMJBCERQGAGTPD-UONOGXRCSA-N 2 0 332.452 -0.161 20 0 EBADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000369014367 378079287 /nfs/dbraw/zinc/07/92/87/378079287.db2.gz ANUPDWMGTIDWDW-CQSZACIVSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@H](CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)C[NH+]1CCN(C)CC1 ZINC000636850292 378413901 /nfs/dbraw/zinc/41/39/01/378413901.db2.gz ZBPKBNIQVRIHNI-CABCVRRESA-N 2 0 327.473 -0.764 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000637129025 378499958 /nfs/dbraw/zinc/49/99/58/378499958.db2.gz DOXGZGZLMVLYEI-LSDHHAIUSA-N 2 0 340.468 -0.378 20 0 EBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000365665045 378629202 /nfs/dbraw/zinc/62/92/02/378629202.db2.gz DTQJJKXIERLEAJ-MRXNPFEDSA-N 2 0 325.501 -0.282 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)NCCCN1CCOCC1)C1CC1 ZINC000339494326 378928688 /nfs/dbraw/zinc/92/86/88/378928688.db2.gz LLLDCTDJTOCQGS-UHFFFAOYSA-N 2 0 326.441 -0.575 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000339754676 379001500 /nfs/dbraw/zinc/00/15/00/379001500.db2.gz RSCHEDQJFCWRSN-OAHLLOKOSA-N 2 0 340.468 -0.185 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)N2CCN(C)C[C@H]2C[NH3+])CCCO1 ZINC000563593823 379047915 /nfs/dbraw/zinc/04/79/15/379047915.db2.gz ZAQRBFJCHVUHIF-LSDHHAIUSA-N 3 0 327.473 -0.228 20 0 EBADRP C[N@H+](CCOCC[NH3+])CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000629578101 379052915 /nfs/dbraw/zinc/05/29/15/379052915.db2.gz MHOPEGYVFHABRE-UHFFFAOYSA-N 2 0 336.440 -0.578 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000339964065 379108883 /nfs/dbraw/zinc/10/88/83/379108883.db2.gz KAVSYKBEHULNIL-CQSZACIVSA-N 2 0 338.452 -0.434 20 0 EBADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1=O ZINC000452780903 379096453 /nfs/dbraw/zinc/09/64/53/379096453.db2.gz IGWODGVTOWHHSP-HUUCEWRRSA-N 2 0 340.468 -0.641 20 0 EBADRP CS(=O)(=O)N1CCC(NC(=O)C[NH+]2CCC(CC[NH3+])CC2)CC1 ZINC000631829526 379116674 /nfs/dbraw/zinc/11/66/74/379116674.db2.gz SOJYMOHPVJIBMB-UHFFFAOYSA-N 2 0 346.497 -0.413 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000627290134 379117835 /nfs/dbraw/zinc/11/78/35/379117835.db2.gz FZZXCLWWWRATPS-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000629794382 379137594 /nfs/dbraw/zinc/13/75/94/379137594.db2.gz AQJVGGUGDPMUTD-CQSZACIVSA-N 2 0 326.441 -0.624 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000627297014 379142872 /nfs/dbraw/zinc/14/28/72/379142872.db2.gz ZNNDQCMTFNMZGG-INIZCTEOSA-N 2 0 348.447 -0.323 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000629801588 379144338 /nfs/dbraw/zinc/14/43/38/379144338.db2.gz BBEWVUKBQMKDEM-KBPBESRZSA-N 2 0 326.441 -0.767 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000627297337 379144937 /nfs/dbraw/zinc/14/49/37/379144937.db2.gz HRLZLYSTODWMOI-JKSUJKDBSA-N 2 0 348.447 -0.018 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000629802718 379148953 /nfs/dbraw/zinc/14/89/53/379148953.db2.gz JVIBWDYXTCBGBQ-AWEZNQCLSA-N 2 0 326.441 -0.636 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000627301157 379218975 /nfs/dbraw/zinc/21/89/75/379218975.db2.gz WNNOGNGXIVXIIK-RBSFLKMASA-N 2 0 340.468 -0.284 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CCC[NH+]2CCCO)C1 ZINC000458443767 379221925 /nfs/dbraw/zinc/22/19/25/379221925.db2.gz UIGMMUXPGWPEDL-HUUCEWRRSA-N 2 0 328.457 -0.147 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000627304336 379236660 /nfs/dbraw/zinc/23/66/60/379236660.db2.gz RAPFOVUNZBHSHZ-ZBFHGGJFSA-N 2 0 348.447 -0.272 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000627304335 379237266 /nfs/dbraw/zinc/23/72/66/379237266.db2.gz RAPFOVUNZBHSHZ-HOCLYGCPSA-N 2 0 348.447 -0.272 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@](C)(C(N)=O)C(C)C)C1 ZINC000459454073 379249650 /nfs/dbraw/zinc/24/96/50/379249650.db2.gz BEPXURISVWUVFH-RHSMWYFYSA-N 2 0 342.484 -0.051 20 0 EBADRP C[C@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])[NH+]1CCC(C)CC1 ZINC000627332074 379341371 /nfs/dbraw/zinc/34/13/71/379341371.db2.gz PXORDAWTCGXERY-CQSZACIVSA-N 2 0 328.457 -0.343 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000627333263 379346268 /nfs/dbraw/zinc/34/62/68/379346268.db2.gz ZNRZFJSLZKLVJV-CQSZACIVSA-N 2 0 328.457 -0.425 20 0 EBADRP C[C@H](CNC(=O)NCCOCC[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000471655531 379377138 /nfs/dbraw/zinc/37/71/38/379377138.db2.gz WPOVHMLPXIZATA-OAHLLOKOSA-N 2 0 329.489 -0.253 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000627344306 379387307 /nfs/dbraw/zinc/38/73/07/379387307.db2.gz BMKZYMQHHFKJDI-UHFFFAOYSA-N 2 0 340.468 -0.009 20 0 EBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C[C@H]2C[NH2+]CCO2)c1 ZINC000269239308 379351423 /nfs/dbraw/zinc/35/14/23/379351423.db2.gz IJXVLWDCDDUEIA-INIZCTEOSA-N 2 0 348.447 -0.027 20 0 EBADRP CC(C)(CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)N1CCOCC1 ZINC000621837628 379365738 /nfs/dbraw/zinc/36/57/38/379365738.db2.gz MPBQEPIORCNMNR-DYVFJYSZSA-N 2 0 338.452 -0.447 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621844390 379367165 /nfs/dbraw/zinc/36/71/65/379367165.db2.gz QVHZVRWXIAIQDN-CZUORRHYSA-N 2 0 326.441 -0.589 20 0 EBADRP Cn1cnc2c1c(=O)n(CCC[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)c(=O)n2C ZINC000641801190 379473213 /nfs/dbraw/zinc/47/32/13/379473213.db2.gz AYPLDQRYPBCKMS-MNOVXSKESA-N 2 0 334.424 -0.461 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000486969176 379480383 /nfs/dbraw/zinc/48/03/83/379480383.db2.gz OBENHMFPWAIEOW-CABCVRRESA-N 2 0 325.453 -0.130 20 0 EBADRP Nc1nc(N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)nc(N)[nH+]1 ZINC000624048716 379501671 /nfs/dbraw/zinc/50/16/71/379501671.db2.gz SOVYGZAZKWCJEG-STQMWFEESA-N 2 0 329.408 -0.586 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)CCO1 ZINC000642056015 379539477 /nfs/dbraw/zinc/53/94/77/379539477.db2.gz NLRNUYNBFDFECK-KBPBESRZSA-N 2 0 340.468 -0.201 20 0 EBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627392745 379578901 /nfs/dbraw/zinc/57/89/01/379578901.db2.gz DJECRCJJBYMRMV-GXTWGEPZSA-N 2 0 340.468 -0.141 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627398413 379580136 /nfs/dbraw/zinc/58/01/36/379580136.db2.gz MHDKDKVPNPZTRU-QLFBSQMISA-N 2 0 339.484 -0.757 20 0 EBADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627394314 379580666 /nfs/dbraw/zinc/58/06/66/379580666.db2.gz CYSIVSVTWBNVDX-OLZOCXBDSA-N 2 0 326.441 -0.672 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627398414 379581424 /nfs/dbraw/zinc/58/14/24/379581424.db2.gz MHDKDKVPNPZTRU-SOUVJXGZSA-N 2 0 339.484 -0.757 20 0 EBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000627430340 379594506 /nfs/dbraw/zinc/59/45/06/379594506.db2.gz UFPYMCCGSLIGJI-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[C@@H]1CN(C)CCO1 ZINC000627355450 379562334 /nfs/dbraw/zinc/56/23/34/379562334.db2.gz HEXBMZFDSYBOJX-MGBSGCIJSA-N 2 0 338.452 -0.720 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000627367009 379568064 /nfs/dbraw/zinc/56/80/64/379568064.db2.gz IADWAXMCDWZFSY-UHFFFAOYSA-N 2 0 326.441 -0.399 20 0 EBADRP C[NH+](C)CC1CCC(NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627366677 379568576 /nfs/dbraw/zinc/56/85/76/379568576.db2.gz YRUJXKJQZBPEOK-JXQTWKCFSA-N 2 0 326.441 -0.672 20 0 EBADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627364620 379569755 /nfs/dbraw/zinc/56/97/55/379569755.db2.gz SVAPJFHYWNNXCE-GJZGRUSLSA-N 2 0 340.468 -0.281 20 0 EBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCOCCC[NH3+])CC[C@H]21 ZINC000627486847 379633321 /nfs/dbraw/zinc/63/33/21/379633321.db2.gz MRJGWDKDBMFEHV-ZIAGYGMSSA-N 2 0 326.441 -0.589 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627501312 379646574 /nfs/dbraw/zinc/64/65/74/379646574.db2.gz FFELFOILFIWKHD-RRFJBIMHSA-N 2 0 340.468 -0.188 20 0 EBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627453697 379605538 /nfs/dbraw/zinc/60/55/38/379605538.db2.gz VDTSEEXOYNZVHT-CQSZACIVSA-N 2 0 340.468 -0.199 20 0 EBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000642098603 379605633 /nfs/dbraw/zinc/60/56/33/379605633.db2.gz LHFCOKMCVFLXJK-OAHLLOKOSA-N 2 0 347.463 -0.616 20 0 EBADRP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000627455305 379606463 /nfs/dbraw/zinc/60/64/63/379606463.db2.gz RNSXBDMIYWLFSR-UONOGXRCSA-N 2 0 340.468 -0.153 20 0 EBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627453840 379606694 /nfs/dbraw/zinc/60/66/94/379606694.db2.gz ZMDUCXULNPGTMB-UHFFFAOYSA-N 2 0 328.457 -0.199 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000627461029 379609663 /nfs/dbraw/zinc/60/96/63/379609663.db2.gz CGPLVZXBELWAEN-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NC[C@@H]3COCC[NH2+]3)C2)CC1 ZINC000627469683 379616710 /nfs/dbraw/zinc/61/67/10/379616710.db2.gz BGGXZLNRPHOEQU-HUUCEWRRSA-N 2 0 338.452 -0.719 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000627469936 379617129 /nfs/dbraw/zinc/61/71/29/379617129.db2.gz IMVAVIABHAGHLK-CQSZACIVSA-N 2 0 338.452 -0.432 20 0 EBADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627475864 379625118 /nfs/dbraw/zinc/62/51/18/379625118.db2.gz WBSJZOHPLXULDW-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C[NH2+]1 ZINC000627477061 379625209 /nfs/dbraw/zinc/62/52/09/379625209.db2.gz QIQCZNGZEHMMLM-QLFBSQMISA-N 2 0 340.468 -0.188 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CCO1 ZINC000274769252 379713037 /nfs/dbraw/zinc/71/30/37/379713037.db2.gz JLESVEBYZLWNNB-OAHLLOKOSA-N 2 0 333.436 -0.220 20 0 EBADRP Cn1cc([C@@H]2CN(S(=O)(=O)CCC[NH+]3CCCC3)C[C@H]2[NH3+])cn1 ZINC000631946852 379789680 /nfs/dbraw/zinc/78/96/80/379789680.db2.gz LSRSAAAJTSNYSO-LSDHHAIUSA-N 2 0 341.481 -0.038 20 0 EBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000631909349 379771620 /nfs/dbraw/zinc/77/16/20/379771620.db2.gz BOQXLHDFBIKJRE-AWEZNQCLSA-N 2 0 326.422 -0.478 20 0 EBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000631936023 379785218 /nfs/dbraw/zinc/78/52/18/379785218.db2.gz QTOGHTTYMVOCLX-OAHLLOKOSA-N 2 0 339.465 -0.044 20 0 EBADRP COCC1(CNS(=O)(=O)N(C)C2CC[NH2+]CC2)CC[NH2+]CC1 ZINC000631937240 379785372 /nfs/dbraw/zinc/78/53/72/379785372.db2.gz UIVJNDCTXPDESB-UHFFFAOYSA-N 2 0 334.486 -0.479 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000631931693 379785602 /nfs/dbraw/zinc/78/56/02/379785602.db2.gz MDCPCQPWAZVEFO-HUUCEWRRSA-N 2 0 330.498 -0.363 20 0 EBADRP [NH3+]C[C@@]1(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCCOC1 ZINC000637816097 379864614 /nfs/dbraw/zinc/86/46/14/379864614.db2.gz XJHYBFGTXGMFIW-PBHICJAKSA-N 2 0 338.452 -0.588 20 0 EBADRP COC[C@@]1(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCCC[NH2+]1 ZINC000637820338 379865978 /nfs/dbraw/zinc/86/59/78/379865978.db2.gz WQZSLLBQJCPIRS-XJKSGUPXSA-N 2 0 326.441 -0.541 20 0 EBADRP CN(C)c1n[nH]c(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000637786353 379820848 /nfs/dbraw/zinc/82/08/48/379820848.db2.gz WOEMPYJLSBZQHS-UHFFFAOYSA-N 2 0 326.449 -0.495 20 0 EBADRP C[NH2+]CCOCCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000627172773 379821029 /nfs/dbraw/zinc/82/10/29/379821029.db2.gz GZMPFDDOECLJNA-OAHLLOKOSA-N 2 0 328.457 -0.024 20 0 EBADRP CC(C)C[C@H](NC(=O)NC[C@H]1COCC[NH2+]1)C(=O)NCC[NH+](C)C ZINC000627187613 379827148 /nfs/dbraw/zinc/82/71/48/379827148.db2.gz LWTWISQBCYTFIA-KBPBESRZSA-N 2 0 343.472 -0.634 20 0 EBADRP O=C(CNC(=O)NC[C@H]1COCC[NH2+]1)NCC[NH+]1CCCCCC1 ZINC000627189610 379828009 /nfs/dbraw/zinc/82/80/09/379828009.db2.gz VFESTVOFTSNPTM-AWEZNQCLSA-N 2 0 341.456 -0.734 20 0 EBADRP CC[C@@H](C(=O)NCC1(NC(=O)[C@H](CC)[NH+](C)C)COC1)[NH+](C)C ZINC000633917866 379978496 /nfs/dbraw/zinc/97/84/96/379978496.db2.gz XZOZCSIYWDYQJW-STQMWFEESA-N 2 0 328.457 -0.332 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C[C@H]1C[NH3+] ZINC000633087637 379933200 /nfs/dbraw/zinc/93/32/00/379933200.db2.gz GLLWGRDDESSDQA-ZIAGYGMSSA-N 2 0 340.468 -0.391 20 0 EBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000633118221 379945882 /nfs/dbraw/zinc/94/58/82/379945882.db2.gz NZWFQGJGYHVWQA-KGLIPLIRSA-N 2 0 340.468 -0.106 20 0 EBADRP O=C(CNC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000634249815 379991017 /nfs/dbraw/zinc/99/10/17/379991017.db2.gz NQWZPAJKGNYGOB-LSDHHAIUSA-N 2 0 337.468 -0.161 20 0 EBADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cn(C)c(=O)n(C)c3=O)C2)CC1 ZINC000539861490 380004244 /nfs/dbraw/zinc/00/42/44/380004244.db2.gz AOZQUSKQWZLUDI-MRXNPFEDSA-N 2 0 349.479 -0.316 20 0 EBADRP CC[NH2+][C@H](C)C(=O)N[C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)CC ZINC000638074677 380089956 /nfs/dbraw/zinc/08/99/56/380089956.db2.gz ONBOCVIYCUPKBO-RRFJBIMHSA-N 2 0 342.484 -0.036 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CCSC1 ZINC000354684188 380081383 /nfs/dbraw/zinc/08/13/83/380081383.db2.gz XOILUWGLBJXKAE-DOMZBBRYSA-N 2 0 328.482 -0.202 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354706180 380086123 /nfs/dbraw/zinc/08/61/23/380086123.db2.gz HNONCJGTXGLHAC-KBPBESRZSA-N 2 0 326.441 -0.528 20 0 EBADRP CC[NH+](CC)CCn1cc(CNC(=O)CN2CCC[NH2+]CC2)nn1 ZINC000630585582 380109956 /nfs/dbraw/zinc/10/99/56/380109956.db2.gz DOLIRDFRWSXCBD-UHFFFAOYSA-N 2 0 337.472 -0.469 20 0 EBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000638096826 380128631 /nfs/dbraw/zinc/12/86/31/380128631.db2.gz NELQXVWCZBIBQT-JJRVBVJISA-N 2 0 340.468 -0.188 20 0 EBADRP CN1CCO[C@H](CS(=O)(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000631679288 380204732 /nfs/dbraw/zinc/20/47/32/380204732.db2.gz UWRQPZPOFUWJOE-HNNXBMFYSA-N 2 0 340.449 -0.136 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000355151092 380157898 /nfs/dbraw/zinc/15/78/98/380157898.db2.gz SCHUTNNDWWEWKN-ZDUSSCGKSA-N 2 0 326.441 -0.624 20 0 EBADRP CC1CC[NH+](CCNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000340207146 380247001 /nfs/dbraw/zinc/24/70/01/380247001.db2.gz FXNJZVGGJXLHNG-HNNXBMFYSA-N 2 0 339.484 -0.804 20 0 EBADRP C[NH+](CCOCC[N@@H+](C)[C@]1(CO)CCOC1)[C@@]1(CO)CCOC1 ZINC000359570486 380252004 /nfs/dbraw/zinc/25/20/04/380252004.db2.gz IJRPQHUREDUBGT-IYBDPMFKSA-N 2 0 332.441 -0.831 20 0 EBADRP CN(C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCC[NH+]1C ZINC000615214834 380294169 /nfs/dbraw/zinc/29/41/69/380294169.db2.gz HHOCMDQSECRISN-RDBSUJKOSA-N 2 0 326.441 -0.890 20 0 EBADRP CC[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)[C@H](CC)[NH+](C)C)[NH+](C)C ZINC000615216512 380297317 /nfs/dbraw/zinc/29/73/17/380297317.db2.gz YWHHZPAPJNVYMJ-MCIONIFRSA-N 2 0 330.473 -0.398 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)C1 ZINC000555731972 380366555 /nfs/dbraw/zinc/36/65/55/380366555.db2.gz WHZFUYAEQPLZMC-OAHLLOKOSA-N 2 0 342.484 -0.131 20 0 EBADRP C[NH+](C)CCOc1cc(C[NH2+]C[C@H](O)CN2CCOCC2)ccn1 ZINC000565652362 380428294 /nfs/dbraw/zinc/42/82/94/380428294.db2.gz KHMCMYLZNRWUSH-INIZCTEOSA-N 2 0 338.452 -0.195 20 0 EBADRP CC[NH+]1CCN(CC(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000340309274 380431718 /nfs/dbraw/zinc/43/17/18/380431718.db2.gz DEUFYNOWEBNMIM-UHFFFAOYSA-N 2 0 326.485 -0.071 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000362825943 380435057 /nfs/dbraw/zinc/43/50/57/380435057.db2.gz LABMEIMLCUBAIF-OCCSQVGLSA-N 2 0 336.440 -0.303 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000362943376 380444518 /nfs/dbraw/zinc/44/45/18/380444518.db2.gz YECLWYPMVISCGD-JKSUJKDBSA-N 2 0 326.485 -0.310 20 0 EBADRP CC[NH+]1CCN([C@H](C)CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000362563633 380411472 /nfs/dbraw/zinc/41/14/72/380411472.db2.gz AXOJSFGEUSUOBJ-CABCVRRESA-N 2 0 349.483 -0.042 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000565253164 380412361 /nfs/dbraw/zinc/41/23/61/380412361.db2.gz HRVHTLWUZSTHGU-MRXNPFEDSA-N 2 0 348.447 -0.189 20 0 EBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)C1 ZINC000565417093 380420678 /nfs/dbraw/zinc/42/06/78/380420678.db2.gz NLNZVFYGGXCCCH-WCQYABFASA-N 2 0 342.421 -0.761 20 0 EBADRP C[NH+](C)CC1(CNC(=O)NCC(=O)N2CC[NH2+]CC2)CCCC1 ZINC000566727758 380487569 /nfs/dbraw/zinc/48/75/69/380487569.db2.gz CHOSFYRYNZKWNG-UHFFFAOYSA-N 2 0 325.457 -0.161 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCNC(=O)c2cccs2)CC1 ZINC000567042382 380497682 /nfs/dbraw/zinc/49/76/82/380497682.db2.gz AXQKQHAOBPNYGM-ZDUSSCGKSA-N 2 0 326.466 -0.324 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368331262 380502496 /nfs/dbraw/zinc/50/24/96/380502496.db2.gz IUSRXAILWGYMKW-CYBMUJFWSA-N 2 0 325.457 -0.081 20 0 EBADRP CCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000567222958 380506893 /nfs/dbraw/zinc/50/68/93/380506893.db2.gz GYJVIGGQRHAUSR-HNNXBMFYSA-N 2 0 339.484 -0.532 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[C@H]1C(F)(F)F ZINC000638560360 380514142 /nfs/dbraw/zinc/51/41/42/380514142.db2.gz TUCGVEIALMILMB-GMTAPVOTSA-N 2 0 336.358 -0.160 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000566378971 380468321 /nfs/dbraw/zinc/46/83/21/380468321.db2.gz HBBPOZHMCXSERS-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)NCCN2CC[NH2+]CC2)CCCO1 ZINC000418116161 380479615 /nfs/dbraw/zinc/47/96/15/380479615.db2.gz PYCVBQJDINSGQZ-HNNXBMFYSA-N 2 0 327.473 -0.308 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000340505374 380519480 /nfs/dbraw/zinc/51/94/80/380519480.db2.gz GYZPKZUKYOQMQM-KGLIPLIRSA-N 2 0 338.452 -0.576 20 0 EBADRP CN1CCN(C(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)[C@@H](C[NH3+])C1 ZINC000567598287 380530396 /nfs/dbraw/zinc/53/03/96/380530396.db2.gz WYVPAEZRILWBOM-NRXISQOPSA-N 2 0 339.484 -0.676 20 0 EBADRP CN(C)C(=O)CC[NH+]1CCC(NC[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000567726481 380537598 /nfs/dbraw/zinc/53/75/98/380537598.db2.gz GOHPXSLGWXPSPH-INIZCTEOSA-N 2 0 326.485 -0.026 20 0 EBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000567837758 380549017 /nfs/dbraw/zinc/54/90/17/380549017.db2.gz WUSPCBJEWNNVKF-STQMWFEESA-N 2 0 348.451 -0.054 20 0 EBADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000568492051 380603999 /nfs/dbraw/zinc/60/39/99/380603999.db2.gz AFULYESVXTXWPX-YIYPIFLZSA-N 2 0 338.452 -0.089 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2cccc(-n3cncn3)c2)CC1 ZINC000573317734 380667579 /nfs/dbraw/zinc/66/75/79/380667579.db2.gz TZZLQLNHYNZEJS-KRWDZBQOSA-N 2 0 330.436 -0.035 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3nccn3c2)CCN1CCO ZINC000573753808 380687435 /nfs/dbraw/zinc/68/74/35/380687435.db2.gz UHXVJGHEWJVVSN-GFCCVEGCSA-N 2 0 331.376 -0.202 20 0 EBADRP O=C(C[C@@]1(C(=O)N[C@H]2CCC[NH2+]C2)CC[NH2+]C1)N[C@H]1CCC[NH2+]C1 ZINC000573967346 380694187 /nfs/dbraw/zinc/69/41/87/380694187.db2.gz QMWZQRVZUDCXTF-ZQIUZPCESA-N 3 0 337.468 -0.907 20 0 EBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC3CC([NH+]4CCCCC4)C3)CCN2C1=O ZINC000573021582 380655058 /nfs/dbraw/zinc/65/50/58/380655058.db2.gz DWPZPOPXWSFGLZ-PFSRBDOWSA-N 2 0 335.452 -0.043 20 0 EBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)CCN2C1=O ZINC000576004070 380754788 /nfs/dbraw/zinc/75/47/88/380754788.db2.gz MAMYOGLYJGYFGQ-QKPAOTATSA-N 2 0 343.431 -0.305 20 0 EBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638784023 380756334 /nfs/dbraw/zinc/75/63/34/380756334.db2.gz QRBVTYVHMLHAHM-LSDHHAIUSA-N 2 0 338.452 -0.528 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000341550536 380718519 /nfs/dbraw/zinc/71/85/19/380718519.db2.gz SUAQREWLIZKYHL-SOUVJXGZSA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000574748892 380721606 /nfs/dbraw/zinc/72/16/06/380721606.db2.gz QFMLXEUNQBYZDT-UHFFFAOYSA-N 3 0 327.473 -0.865 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000341647373 380725604 /nfs/dbraw/zinc/72/56/04/380725604.db2.gz VCJRNJGDOZUKAX-UONOGXRCSA-N 2 0 326.441 -0.589 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000575174586 380732109 /nfs/dbraw/zinc/73/21/09/380732109.db2.gz KKBSIHNFZGMAGW-SOUVJXGZSA-N 2 0 336.440 -0.423 20 0 EBADRP C[C@@H]1C[NH+](C[C@@H](O)CNC[C@H](O)C[NH+]2CCCCC2)C[C@@H](C)O1 ZINC000576823883 380786858 /nfs/dbraw/zinc/78/68/58/380786858.db2.gz WFPHWUFGIBDDCR-NCOADZHNSA-N 2 0 329.485 -0.107 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000416863198 380794782 /nfs/dbraw/zinc/79/47/82/380794782.db2.gz GURWQDSZQJBFIG-INIZCTEOSA-N 2 0 341.500 -0.062 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000577084736 380801083 /nfs/dbraw/zinc/80/10/83/380801083.db2.gz FZKKEETUDZHNRA-KBPBESRZSA-N 2 0 325.457 -0.922 20 0 EBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000577859306 380846784 /nfs/dbraw/zinc/84/67/84/380846784.db2.gz SLDIIGAFUUNBHL-LSDHHAIUSA-N 2 0 348.451 -0.773 20 0 EBADRP CN(C)S(=O)(=O)CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985131 380851884 /nfs/dbraw/zinc/85/18/84/380851884.db2.gz ZUAVRYUJKOCWNL-UHFFFAOYSA-N 2 0 327.410 -0.679 20 0 EBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638983620 380852290 /nfs/dbraw/zinc/85/22/90/380852290.db2.gz DFCSPDWHRVDCDQ-AWEZNQCLSA-N 3 0 346.435 -0.312 20 0 EBADRP C[C@@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000578741627 380950941 /nfs/dbraw/zinc/95/09/41/380950941.db2.gz PAIGOAXCIJFUQS-KGLIPLIRSA-N 2 0 325.457 -0.162 20 0 EBADRP CC[NH2+]CCCNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000579099469 380968232 /nfs/dbraw/zinc/96/82/32/380968232.db2.gz JPQGTBWAEFAIPJ-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000579108198 380971219 /nfs/dbraw/zinc/97/12/19/380971219.db2.gz FXOHPOGSZRPVOP-UHFFFAOYSA-N 3 0 327.473 -0.851 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCCN1CC[NH2+]CC1 ZINC000417574100 380944761 /nfs/dbraw/zinc/94/47/61/380944761.db2.gz YOPGIEBXAJHUPI-HNNXBMFYSA-N 2 0 327.473 -0.308 20 0 EBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000579735446 381011704 /nfs/dbraw/zinc/01/17/04/381011704.db2.gz CBTQUKGZHARRHL-ZNMIVQPWSA-N 2 0 338.452 -0.651 20 0 EBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000579853849 381019579 /nfs/dbraw/zinc/01/95/79/381019579.db2.gz DRSLIBHSWABRQL-AWEZNQCLSA-N 2 0 325.457 -0.162 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000581657487 381091874 /nfs/dbraw/zinc/09/18/74/381091874.db2.gz RFVGJIMKRHQXMG-MELADBBJSA-N 2 0 338.452 -0.088 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000581657486 381092731 /nfs/dbraw/zinc/09/27/31/381092731.db2.gz RFVGJIMKRHQXMG-IHRRRGAJSA-N 2 0 338.452 -0.088 20 0 EBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000642439537 381093628 /nfs/dbraw/zinc/09/36/28/381093628.db2.gz LADPABPFGZUFNP-ZIAGYGMSSA-N 2 0 326.441 -0.447 20 0 EBADRP CN1CCN(C(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)[C@@H](C[NH3+])C1 ZINC000583312345 381125067 /nfs/dbraw/zinc/12/50/67/381125067.db2.gz GQZKVAGMCQIZPS-UONOGXRCSA-N 2 0 339.484 -0.676 20 0 EBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)COC2CCC([NH3+])CC2)C1 ZINC000584407701 381127814 /nfs/dbraw/zinc/12/78/14/381127814.db2.gz WURABFDADLFIEC-WLYUNCDWSA-N 2 0 340.468 -0.024 20 0 EBADRP CC[NH+](C)C[C@@H](O)CN1C[C@@H]2C[C@H]1CN2C[C@H](O)C[N@@H+](C)CC ZINC000640049901 381197826 /nfs/dbraw/zinc/19/78/26/381197826.db2.gz TUVPVEIJIIAGBJ-MWDXBVQZSA-N 2 0 328.501 -0.630 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCC(=O)N2CCCCCC2)CC1 ZINC000584715682 381201950 /nfs/dbraw/zinc/20/19/50/381201950.db2.gz YZAOHCKCWMLUQZ-INIZCTEOSA-N 2 0 326.485 -0.023 20 0 EBADRP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)NC[C@H]1C[NH2+]CCO1 ZINC000418763063 381262884 /nfs/dbraw/zinc/26/28/84/381262884.db2.gz JIRNRMQVUQVMLV-IAGOWNOFSA-N 2 0 348.447 -0.307 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000347663406 381241907 /nfs/dbraw/zinc/24/19/07/381241907.db2.gz DYJFXACITDPNPM-JKSUJKDBSA-N 2 0 326.485 -0.046 20 0 EBADRP COCCCNC(=O)[C@H](C)N1CCN(C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000418494490 381244601 /nfs/dbraw/zinc/24/46/01/381244601.db2.gz SHDTUEVMWZKJEX-KBPBESRZSA-N 2 0 343.472 -0.550 20 0 EBADRP COCC[NH2+]CCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418505649 381244749 /nfs/dbraw/zinc/24/47/49/381244749.db2.gz FVINQGBJWJRBOJ-NSHDSACASA-N 2 0 341.378 -0.642 20 0 EBADRP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)[NH+](C)C)cc1 ZINC000418825689 381286449 /nfs/dbraw/zinc/28/64/49/381286449.db2.gz UMQHIWQJBATPOX-CVEARBPZSA-N 2 0 348.447 -0.181 20 0 EBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000347960477 381296275 /nfs/dbraw/zinc/29/62/75/381296275.db2.gz HFNFYOOKTMKCQP-LSDHHAIUSA-N 2 0 339.484 -0.851 20 0 EBADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CCCC1 ZINC000418802999 381279214 /nfs/dbraw/zinc/27/92/14/381279214.db2.gz KYHCINRSZHSNEX-AWEZNQCLSA-N 2 0 340.468 -0.199 20 0 EBADRP C[NH+](C)CC1(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CCCC1 ZINC000418811211 381280768 /nfs/dbraw/zinc/28/07/68/381280768.db2.gz VLVUSVSIIILTEI-CYBMUJFWSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CCCO1 ZINC000418878775 381327554 /nfs/dbraw/zinc/32/75/54/381327554.db2.gz MGPWCSPVMDMMGX-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000418883123 381331325 /nfs/dbraw/zinc/33/13/25/381331325.db2.gz ZUTHBDGQJZMYOM-CVEARBPZSA-N 2 0 348.447 -0.538 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000418923370 381342358 /nfs/dbraw/zinc/34/23/58/381342358.db2.gz NLAFNRPCZHWNBO-KGLIPLIRSA-N 2 0 328.457 -0.426 20 0 EBADRP C[N@@H+]1CC[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@H]1c1ccccc1 ZINC000418902001 381336313 /nfs/dbraw/zinc/33/63/13/381336313.db2.gz GHSQSOBTFZGDQN-HUUCEWRRSA-N 2 0 334.420 -0.672 20 0 EBADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000418863250 381314663 /nfs/dbraw/zinc/31/46/63/381314663.db2.gz BLVWQHCEGRIUAQ-KFWWJZLASA-N 2 0 340.468 -0.201 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418864414 381316661 /nfs/dbraw/zinc/31/66/61/381316661.db2.gz QLCKHUGCHWNGKZ-INIZCTEOSA-N 2 0 348.447 -0.271 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000418910188 381344926 /nfs/dbraw/zinc/34/49/26/381344926.db2.gz BCQCVFVRWNSWDH-ZIAGYGMSSA-N 2 0 326.441 -0.672 20 0 EBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000418917066 381346930 /nfs/dbraw/zinc/34/69/30/381346930.db2.gz HWXKDLGBODMTQA-CABCVRRESA-N 2 0 340.468 -0.330 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000418914336 381347392 /nfs/dbraw/zinc/34/73/92/381347392.db2.gz FHKPTGPZEVKAJT-UONOGXRCSA-N 2 0 326.441 -0.687 20 0 EBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000418916225 381347695 /nfs/dbraw/zinc/34/76/95/381347695.db2.gz GZJWSEWEVUNQGI-UONOGXRCSA-N 2 0 326.441 -0.720 20 0 EBADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000419021931 381356064 /nfs/dbraw/zinc/35/60/64/381356064.db2.gz BDNWDFFEPZDFRL-ZBFHGGJFSA-N 2 0 348.447 -0.282 20 0 EBADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000419020960 381356172 /nfs/dbraw/zinc/35/61/72/381356172.db2.gz GMZGOQQQYDTOMB-ZDUSSCGKSA-N 2 0 328.457 -0.607 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000419027244 381356220 /nfs/dbraw/zinc/35/62/20/381356220.db2.gz OFNGZTNUEVNVQW-KBPBESRZSA-N 2 0 328.457 -0.425 20 0 EBADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000419021929 381356663 /nfs/dbraw/zinc/35/66/63/381356663.db2.gz BDNWDFFEPZDFRL-HOCLYGCPSA-N 2 0 348.447 -0.282 20 0 EBADRP [NH3+]CCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419030135 381358478 /nfs/dbraw/zinc/35/84/78/381358478.db2.gz HETICIUOHXXFLN-UHFFFAOYSA-N 2 0 328.482 -0.071 20 0 EBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419082239 381362043 /nfs/dbraw/zinc/36/20/43/381362043.db2.gz UEELEBOZYKXPSL-KGLIPLIRSA-N 2 0 326.441 -0.447 20 0 EBADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419168097 381391782 /nfs/dbraw/zinc/39/17/82/381391782.db2.gz JZTIWCFIHGWUTJ-HUUCEWRRSA-N 2 0 340.468 -0.057 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419225156 381401475 /nfs/dbraw/zinc/40/14/75/381401475.db2.gz GPBGIVLXNANCFC-HNNXBMFYSA-N 2 0 340.468 -0.281 20 0 EBADRP CC1=CC[N@H+](CCNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000419225901 381401562 /nfs/dbraw/zinc/40/15/62/381401562.db2.gz PWKXRHHHGNYXAM-KGLIPLIRSA-N 2 0 338.452 -0.016 20 0 EBADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419230934 381401992 /nfs/dbraw/zinc/40/19/92/381401992.db2.gz QMKXMGCEVXBEOY-GJZGRUSLSA-N 2 0 338.452 -0.528 20 0 EBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)CCOC2C[NH2+]C2)CC1 ZINC000349004338 381427943 /nfs/dbraw/zinc/42/79/43/381427943.db2.gz RNPBDKYAVSSERP-UHFFFAOYSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000419407258 381428507 /nfs/dbraw/zinc/42/85/07/381428507.db2.gz JYHVRAZQHGLZSF-QLFBSQMISA-N 2 0 340.468 -0.343 20 0 EBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000419380843 381434097 /nfs/dbraw/zinc/43/40/97/381434097.db2.gz XSCAULWGNWDEKT-ZDUSSCGKSA-N 2 0 332.448 -0.087 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000419442872 381438686 /nfs/dbraw/zinc/43/86/86/381438686.db2.gz AOSMRMWLQOPPHG-AWEZNQCLSA-N 2 0 342.484 -0.035 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000419444653 381439157 /nfs/dbraw/zinc/43/91/57/381439157.db2.gz DFGCMBKQWKERFK-UONOGXRCSA-N 2 0 328.457 -0.295 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000419451554 381440302 /nfs/dbraw/zinc/44/03/02/381440302.db2.gz NOGBWSMLWSAWDB-KBPBESRZSA-N 2 0 328.457 -0.343 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000419451263 381440767 /nfs/dbraw/zinc/44/07/67/381440767.db2.gz MYSUFMLCHIYSQQ-KGLIPLIRSA-N 2 0 328.457 -0.201 20 0 EBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419337999 381419431 /nfs/dbraw/zinc/41/94/31/381419431.db2.gz RPXJSAWBESYYCL-WVWOOGAGSA-N 2 0 338.452 -0.186 20 0 EBADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419692465 381473080 /nfs/dbraw/zinc/47/30/80/381473080.db2.gz GRTIWEXIIMAUDV-HUUCEWRRSA-N 2 0 340.468 -0.201 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000419702380 381475665 /nfs/dbraw/zinc/47/56/65/381475665.db2.gz BJJBNNWUDFYOGL-HZSPNIEDSA-N 2 0 326.441 -0.543 20 0 EBADRP C[NH2+]CCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419679567 381481301 /nfs/dbraw/zinc/48/13/01/381481301.db2.gz GGOQTVVFCMCJOL-UHFFFAOYSA-N 2 0 328.482 -0.200 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000419722947 381481358 /nfs/dbraw/zinc/48/13/58/381481358.db2.gz FEWBOCJDNVJUQA-ZQDZILKHSA-N 2 0 338.452 -0.591 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419850314 381506684 /nfs/dbraw/zinc/50/66/84/381506684.db2.gz FQZSNIKSPVNXIE-OAHLLOKOSA-N 2 0 339.484 -0.612 20 0 EBADRP CC1CC[NH+](CCNC(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419854808 381508141 /nfs/dbraw/zinc/50/81/41/381508141.db2.gz PKUKIFQYPGDPCP-UHFFFAOYSA-N 2 0 339.484 -0.754 20 0 EBADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCCC[NH2+]C2CC2)C[C@H](C)O1 ZINC000419858788 381508616 /nfs/dbraw/zinc/50/86/16/381508616.db2.gz XOMPYYHZJIOYTF-KBPBESRZSA-N 2 0 340.468 -0.140 20 0 EBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419859932 381510551 /nfs/dbraw/zinc/51/05/51/381510551.db2.gz BIRGQQZANXYVBF-OAHLLOKOSA-N 2 0 339.484 -0.659 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C[C@H](C)O1 ZINC000419862208 381510649 /nfs/dbraw/zinc/51/06/49/381510649.db2.gz MVYXQFDNVQCNIV-SCRDCRAPSA-N 2 0 326.441 -0.545 20 0 EBADRP [NH3+][C@@H](CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)C1CC1 ZINC000419873239 381520832 /nfs/dbraw/zinc/52/08/32/381520832.db2.gz VDPWISLHTKUZDU-HNNXBMFYSA-N 2 0 338.452 -0.589 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000419971405 381520901 /nfs/dbraw/zinc/52/09/01/381520901.db2.gz GHBHSGIUKKNCAK-LSDHHAIUSA-N 2 0 340.468 -0.343 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000419891818 381518845 /nfs/dbraw/zinc/51/88/45/381518845.db2.gz NQWDXKQBDOEMML-KBPBESRZSA-N 2 0 328.457 -0.473 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000419893459 381518908 /nfs/dbraw/zinc/51/89/08/381518908.db2.gz VMXWAWDFEDTYBL-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000419779691 381490851 /nfs/dbraw/zinc/49/08/51/381490851.db2.gz PPCZYLUPABYBQX-BFHYXJOUSA-N 2 0 326.441 -0.733 20 0 EBADRP CC(C)[NH+](CCNC(=O)C(=O)NCCN1CC[NH2+]CC1)C(C)C ZINC000419797544 381494752 /nfs/dbraw/zinc/49/47/52/381494752.db2.gz ULSQJVCVSYGIFI-UHFFFAOYSA-N 2 0 327.473 -0.757 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC[NH3+] ZINC000419828898 381499403 /nfs/dbraw/zinc/49/94/03/381499403.db2.gz DEEYNLPKUUYQQR-HNNXBMFYSA-N 2 0 333.436 -0.031 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)C[NH+]1CCN(C)CC1 ZINC000419836283 381502544 /nfs/dbraw/zinc/50/25/44/381502544.db2.gz VOASWFHDECQNNR-CQSZACIVSA-N 2 0 339.484 -0.804 20 0 EBADRP C[C@@H](CNC(=O)NCCN1CCOC[C@@H]1C)CN1CCOCC1 ZINC000350094543 381502926 /nfs/dbraw/zinc/50/29/26/381502926.db2.gz IGENMRSGGIVNHA-GJZGRUSLSA-N 2 0 328.457 -0.025 20 0 EBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000419974494 381522997 /nfs/dbraw/zinc/52/29/97/381522997.db2.gz IKXMLEPMJZTMDN-KBPBESRZSA-N 2 0 342.484 -0.220 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000420067377 381531088 /nfs/dbraw/zinc/53/10/88/381531088.db2.gz SKGZFUKZZPIEAD-ZDUSSCGKSA-N 2 0 347.419 -0.408 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)C[NH+]1CCCCC1 ZINC000420183208 381564169 /nfs/dbraw/zinc/56/41/69/381564169.db2.gz GIDDRHWPFAYDQD-GJZGRUSLSA-N 2 0 340.468 -0.281 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000420184966 381564763 /nfs/dbraw/zinc/56/47/63/381564763.db2.gz OOFCMIRXNYUZAD-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP CC(C)[NH+](CCN(C)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1)C(C)C ZINC000420194289 381566917 /nfs/dbraw/zinc/56/69/17/381566917.db2.gz JPUOQNIJYHWRIX-CQSZACIVSA-N 2 0 328.457 -0.332 20 0 EBADRP O[C@H](CN1CCOCC1)C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000070010883 381600367 /nfs/dbraw/zinc/60/03/67/381600367.db2.gz RVIPNMYXRFLALU-DLBZAZTESA-N 2 0 327.469 -0.276 20 0 EBADRP OC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1C[NH+]1C[C@@H](O)C[C@H]1CO ZINC000248389410 381610412 /nfs/dbraw/zinc/61/04/12/381610412.db2.gz GJQHAADKPRYVDZ-USTZCAOPSA-N 2 0 336.432 -0.458 20 0 EBADRP CC[NH+](C)C[C@@H](O)CN1CCN(C[C@@H](O)C[N@@H+](C)CC)C[C@H]1C ZINC000571696771 381614367 /nfs/dbraw/zinc/61/43/67/381614367.db2.gz MDCWJKNAQRFMKS-IXDOHACOSA-N 2 0 330.517 -0.382 20 0 EBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000643484245 381614373 /nfs/dbraw/zinc/61/43/73/381614373.db2.gz LLBIOIMNMBTUQS-HNNXBMFYSA-N 2 0 337.468 -0.953 20 0 EBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000571985857 381632294 /nfs/dbraw/zinc/63/22/94/381632294.db2.gz DPXMBINMFSEZNS-KBPBESRZSA-N 2 0 325.457 -0.922 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC2)c1 ZINC000351540493 381639749 /nfs/dbraw/zinc/63/97/49/381639749.db2.gz WFRGTBVTXOFOJW-CQSZACIVSA-N 2 0 347.419 -0.393 20 0 EBADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351554013 381641006 /nfs/dbraw/zinc/64/10/06/381641006.db2.gz HBQUIXOVLZAYAB-ZFWWWQNUSA-N 2 0 340.468 -0.594 20 0 EBADRP C[C@@H]1C[N@@H+](CCCCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000351542274 381641683 /nfs/dbraw/zinc/64/16/83/381641683.db2.gz QVNFFFFRGOKYON-QLFBSQMISA-N 2 0 340.468 -0.140 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000351859030 381685878 /nfs/dbraw/zinc/68/58/78/381685878.db2.gz ZLDXEBPCWWNJSI-NWDGAFQWSA-N 2 0 334.424 -0.507 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCO1 ZINC000332008095 381738930 /nfs/dbraw/zinc/73/89/30/381738930.db2.gz CXNBMLCYMWIOHT-RBSFLKMASA-N 2 0 338.452 -0.482 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000352045314 381862624 /nfs/dbraw/zinc/86/26/24/381862624.db2.gz OEGULSQOLBGTRY-UONOGXRCSA-N 2 0 328.457 -0.249 20 0 EBADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000333252896 381901307 /nfs/dbraw/zinc/90/13/07/381901307.db2.gz KQTXIUXFCQDNFG-HUUCEWRRSA-N 2 0 341.500 -0.281 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000643502611 381910681 /nfs/dbraw/zinc/91/06/81/381910681.db2.gz LKXSJLMVGAIILV-CQSZACIVSA-N 2 0 340.468 -0.105 20 0 EBADRP C[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@H]1C[NH3+] ZINC000643509649 381928368 /nfs/dbraw/zinc/92/83/68/381928368.db2.gz DNFTVSSWPXXFMV-CABCVRRESA-N 3 0 341.500 -0.619 20 0 EBADRP C[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H]1C[NH3+] ZINC000643509652 381928623 /nfs/dbraw/zinc/92/86/23/381928623.db2.gz DNFTVSSWPXXFMV-LSDHHAIUSA-N 3 0 341.500 -0.619 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000333774006 381957234 /nfs/dbraw/zinc/95/72/34/381957234.db2.gz CNBNYDPIBOYDBL-HUUCEWRRSA-N 2 0 337.468 -0.066 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CCO1 ZINC000643510622 381961539 /nfs/dbraw/zinc/96/15/39/381961539.db2.gz CXFOUYQJWOPTSL-KKUMJFAQSA-N 2 0 338.452 -0.352 20 0 EBADRP CN(CCC[NH+](C)C)CCNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000617766293 381972434 /nfs/dbraw/zinc/97/24/34/381972434.db2.gz FGMBJOVBINBWCB-UHFFFAOYSA-N 2 0 327.429 -0.684 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC000643530822 382046347 /nfs/dbraw/zinc/04/63/47/382046347.db2.gz YOPDUPIIPDZTKD-KKUMJFAQSA-N 2 0 340.468 -0.106 20 0 EBADRP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC(OCCC[NH3+])CC2)C1 ZINC000430581637 382021476 /nfs/dbraw/zinc/02/14/76/382021476.db2.gz UVGXAGWZPJNQLT-OAHLLOKOSA-N 2 0 340.468 -0.057 20 0 EBADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1 ZINC000430560152 382021629 /nfs/dbraw/zinc/02/16/29/382021629.db2.gz VJMANVUOSFHKMC-VXGBXAGGSA-N 2 0 334.424 -0.507 20 0 EBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000643516772 382022702 /nfs/dbraw/zinc/02/27/02/382022702.db2.gz UGIAEIAGXPIEJO-OWCLPIDISA-N 2 0 349.479 -0.812 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCC[N@@H+]1C ZINC000418013897 382068241 /nfs/dbraw/zinc/06/82/41/382068241.db2.gz ZZIUZDMHAFNAFF-RDBSUJKOSA-N 2 0 325.457 -0.034 20 0 EBADRP C[NH+](C)C1(CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCC1 ZINC000418058841 382116360 /nfs/dbraw/zinc/11/63/60/382116360.db2.gz LYJLPYDWKXTANM-ZDUSSCGKSA-N 2 0 325.457 -0.033 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2coc(C[NH3+])c2)cn1 ZINC000444270417 382145388 /nfs/dbraw/zinc/14/53/88/382145388.db2.gz PQMRAFARDSHOQF-UHFFFAOYSA-N 2 0 334.380 -0.135 20 0 EBADRP CCN(C(=O)CN(C)CCOCC[NH2+]C)[C@@H]1CCS(=O)(=O)C1 ZINC000629569167 382231468 /nfs/dbraw/zinc/23/14/68/382231468.db2.gz ZCQRJYPTLJPIFR-CYBMUJFWSA-N 2 0 335.470 -0.810 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000340254639 285056937 /nfs/dbraw/zinc/05/69/37/285056937.db2.gz LNQGJMPDYUUSPP-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000358722509 285318086 /nfs/dbraw/zinc/31/80/86/285318086.db2.gz OOVYMIQDJZTWDG-DOTOQJQBSA-N 2 0 341.500 -0.374 20 0 EBADRP C[C@@H]1C[NH+](C[C@H](O)CN2CC[NH+](CC(C)(C)O)CC2)C[C@@H](C)O1 ZINC000106385801 154089814 /nfs/dbraw/zinc/08/98/14/154089814.db2.gz DKIQEMUSCXOXRH-BZUAXINKSA-N 2 0 329.485 -0.155 20 0 EBADRP COCC[NH2+]CC(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000178885561 154121455 /nfs/dbraw/zinc/12/14/55/154121455.db2.gz VMTXIRKHKVLCEP-INIZCTEOSA-N 2 0 342.484 -0.524 20 0 EBADRP CNC(=O)[C@@H]([NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C(C)C ZINC000183632927 154135956 /nfs/dbraw/zinc/13/59/56/154135956.db2.gz LYUYXLAWQXXFHY-HOCLYGCPSA-N 2 0 342.484 -0.180 20 0 EBADRP OC[C@@H]1C[C@H](O)C[NH+]1Cc1cccc(C[N@H+]2C[C@@H](O)C[C@H]2CO)c1 ZINC000186496605 154143251 /nfs/dbraw/zinc/14/32/51/154143251.db2.gz MGSJSULRSZFLFV-XSLAGTTESA-N 2 0 336.432 -0.458 20 0 EBADRP C[C@@H](O)C[N@@H+]1CCN(c2cc(N3CCN(C)C(=O)C3)ncn2)[C@H](C)C1 ZINC000192795847 154158933 /nfs/dbraw/zinc/15/89/33/154158933.db2.gz YBZFAGWEORTTPK-ZIAGYGMSSA-N 2 0 348.451 -0.354 20 0 EBADRP CNC(=O)[C@H]1CCCN1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000193977114 154160541 /nfs/dbraw/zinc/16/05/41/154160541.db2.gz IPOBUVBJVKRMAB-LSDHHAIUSA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH+]1CCC[C@@H]1CNC(=O)COCC(=O)NC[C@H]1CCC[N@H+]1C ZINC000246794621 154183363 /nfs/dbraw/zinc/18/33/63/154183363.db2.gz QOWUUXVUKXCWMM-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP OC[C@@H]1C[C@@H](O)C[NH+]1Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2CO)cc1 ZINC000249293337 154191270 /nfs/dbraw/zinc/19/12/70/154191270.db2.gz LNBQWYASLWMKTL-XLAORIBOSA-N 2 0 336.432 -0.458 20 0 EBADRP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000261650251 154195510 /nfs/dbraw/zinc/19/55/10/154195510.db2.gz JNNAWRNKLRRCFY-GJZGRUSLSA-N 2 0 338.452 -0.575 20 0 EBADRP CCN1CCO[C@@H](C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000261675756 154196676 /nfs/dbraw/zinc/19/66/76/154196676.db2.gz CGBTVDISTMFJGV-VXGBXAGGSA-N 2 0 338.374 -0.341 20 0 EBADRP COCC1(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[NH2+]CC1 ZINC000261739735 154200465 /nfs/dbraw/zinc/20/04/65/154200465.db2.gz NULCURQEELQEFP-AWEZNQCLSA-N 2 0 340.468 -0.471 20 0 EBADRP NC(=O)NC(=O)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261962080 154205814 /nfs/dbraw/zinc/20/58/14/154205814.db2.gz XYHSSHNZOCYANL-VXGBXAGGSA-N 2 0 325.413 -0.848 20 0 EBADRP C[NH+]1CCN(c2cc(CNC(=O)C[C@H]3COCC[NH2+]3)ccn2)CC1 ZINC000262466166 154232916 /nfs/dbraw/zinc/23/29/16/154232916.db2.gz XULSGFADKLJJJW-HNNXBMFYSA-N 2 0 333.436 -0.172 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000263242295 154256014 /nfs/dbraw/zinc/25/60/14/154256014.db2.gz LPCZJDCTEVCHGV-HIFRSBDPSA-N 2 0 326.441 -0.733 20 0 EBADRP CN(CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)S(C)(=O)=O ZINC000342091772 156007275 /nfs/dbraw/zinc/00/72/75/156007275.db2.gz CPMLYAVTFLIRCH-MELADBBJSA-N 2 0 346.497 -0.557 20 0 EBADRP Cn1c2ncn(CC[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)c2c(=O)n(C)c1=O ZINC000342090285 156008014 /nfs/dbraw/zinc/00/80/14/156008014.db2.gz SOOTYAPIMUAIAD-RWMBFGLXSA-N 2 0 346.435 -0.507 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C)C1 ZINC000343880137 156174784 /nfs/dbraw/zinc/17/47/84/156174784.db2.gz ATKINHUBADWNNH-OAHLLOKOSA-N 2 0 342.484 -0.131 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](CCOC)C1 ZINC000343887618 156177010 /nfs/dbraw/zinc/17/70/10/156177010.db2.gz JSOAPPRJMMVLLY-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)C1 ZINC000343898676 156184371 /nfs/dbraw/zinc/18/43/71/156184371.db2.gz ZWUFHMBMZHPZQX-VNHYZAJKSA-N 2 0 338.452 -0.578 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@H]32)C1 ZINC000343909956 156186349 /nfs/dbraw/zinc/18/63/49/156186349.db2.gz LOAVSKWNWBLFGL-QLFBSQMISA-N 2 0 338.452 -0.624 20 0 EBADRP COCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000345107964 156302394 /nfs/dbraw/zinc/30/23/94/156302394.db2.gz DWNQCSJSUVSKSG-CQSZACIVSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000345245007 156315663 /nfs/dbraw/zinc/31/56/63/156315663.db2.gz COWRVMMDAVRAAL-KURKYZTESA-N 2 0 349.523 -0.139 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000355399922 157000954 /nfs/dbraw/zinc/00/09/54/157000954.db2.gz MJGIGVIWCBJKCL-UHFFFAOYSA-N 2 0 348.513 -0.342 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000356943626 157105449 /nfs/dbraw/zinc/10/54/49/157105449.db2.gz CWDKMMDAZARWDA-LBPRGKRZSA-N 2 0 341.456 -0.390 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)C1=CC[NH+](C)CC1 ZINC000357572103 157154910 /nfs/dbraw/zinc/15/49/10/157154910.db2.gz FTBSPKORLGVGBB-AWEZNQCLSA-N 2 0 340.468 -0.163 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000357585462 157159202 /nfs/dbraw/zinc/15/92/02/157159202.db2.gz XTQVKAKGOYNUHB-LSDHHAIUSA-N 2 0 342.484 -0.131 20 0 EBADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)cn2)CC1 ZINC000357937453 157188717 /nfs/dbraw/zinc/18/87/17/157188717.db2.gz WRJONXDTRWEQON-CABCVRRESA-N 2 0 333.436 -0.438 20 0 EBADRP COC[C@](C)(CNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)[C@H]1CCC[NH+]1C ZINC000358307457 157230786 /nfs/dbraw/zinc/23/07/86/157230786.db2.gz GHDYHHVCLKZBBS-CPUCHLNUSA-N 2 0 340.468 -0.188 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000358574895 157263959 /nfs/dbraw/zinc/26/39/59/157263959.db2.gz UXELCCAJSXRFJB-UHFFFAOYSA-N 2 0 342.484 -0.129 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000358583561 157265626 /nfs/dbraw/zinc/26/56/26/157265626.db2.gz ZWWPVERQDJCRIS-UHFFFAOYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CC[C@](O)(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000358702370 157271723 /nfs/dbraw/zinc/27/17/23/157271723.db2.gz JNUHNWBETZSWCM-UXLLHSPISA-N 2 0 340.468 -0.270 20 0 EBADRP CC(C)[C@H](CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)[NH+]1CCN(C)CC1 ZINC000358681731 157271738 /nfs/dbraw/zinc/27/17/38/157271738.db2.gz QBHXYYDXRDQUOX-DOTOQJQBSA-N 2 0 341.500 -0.376 20 0 EBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000359270896 157309421 /nfs/dbraw/zinc/30/94/21/157309421.db2.gz KIHVPBMTPKUZHV-AWEZNQCLSA-N 2 0 342.484 -0.347 20 0 EBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000360170753 157361513 /nfs/dbraw/zinc/36/15/13/157361513.db2.gz KLQTVWVQBMIUSY-CQSZACIVSA-N 2 0 327.473 -0.804 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)N1CC[NH+](C)CC1 ZINC000360225741 157366490 /nfs/dbraw/zinc/36/64/90/157366490.db2.gz RZRHRYOSDIKUGH-GJZGRUSLSA-N 2 0 339.484 -0.851 20 0 EBADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCCOCC[NH+](C)C ZINC000360273638 157369669 /nfs/dbraw/zinc/36/96/69/157369669.db2.gz TWDXXUQBVRGBNU-UHFFFAOYSA-N 2 0 328.457 -0.519 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NCCOCC[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000360277334 157371200 /nfs/dbraw/zinc/37/12/00/157371200.db2.gz AXQSKLWZAOUOFV-CABCVRRESA-N 2 0 342.484 -0.083 20 0 EBADRP C[C@H](NC(=O)C(=O)NCCOCC[NH+](C)C)C1=CC[N@H+](C)CC1 ZINC000360277779 157371836 /nfs/dbraw/zinc/37/18/36/157371836.db2.gz DMVOPEXKFKTYBT-ZDUSSCGKSA-N 2 0 326.441 -0.553 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000360287079 157373541 /nfs/dbraw/zinc/37/35/41/157373541.db2.gz SDLQLIGSVUDGOY-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP CC(C)OC[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000662436966 418959646 /nfs/dbraw/zinc/95/96/46/418959646.db2.gz JTVGMDNCOPYGIY-KBPBESRZSA-N 2 0 328.457 -0.202 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000525451564 418962609 /nfs/dbraw/zinc/96/26/09/418962609.db2.gz MBTNMAKCXNFFPO-UHFFFAOYSA-N 2 0 341.500 -0.232 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419860686 419020933 /nfs/dbraw/zinc/02/09/33/419020933.db2.gz AYUXRAXIBNEIFQ-ZNMIVQPWSA-N 2 0 340.468 -0.058 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000419884652 419021823 /nfs/dbraw/zinc/02/18/23/419021823.db2.gz XTGVKVNEWOIWPI-APIJFGDWSA-N 2 0 340.468 -0.012 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000410506268 419035609 /nfs/dbraw/zinc/03/56/09/419035609.db2.gz XGBUEXWAELPPKY-HNNXBMFYSA-N 2 0 342.484 -0.177 20 0 EBADRP CC[NH+](CC)CCN(C(=O)[C@H](C[NH3+])OC)[C@H]1CCS(=O)(=O)C1 ZINC000648149316 418984305 /nfs/dbraw/zinc/98/43/05/418984305.db2.gz MZRIREFYNQSHKB-STQMWFEESA-N 2 0 335.470 -0.682 20 0 EBADRP CC[NH+](CC)CCN(C(=O)[C@H](C[NH3+])OC)[C@@H]1CCS(=O)(=O)C1 ZINC000648149314 418984324 /nfs/dbraw/zinc/98/43/24/418984324.db2.gz MZRIREFYNQSHKB-OLZOCXBDSA-N 2 0 335.470 -0.682 20 0 EBADRP CN(Cc1c[nH]cn1)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658926601 418998225 /nfs/dbraw/zinc/99/82/25/418998225.db2.gz DSWHOQAKCQGUOJ-AWEZNQCLSA-N 2 0 337.424 -0.063 20 0 EBADRP CCN(C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[C@@H]1CC[N@H+](C)C1 ZINC000658363509 419004853 /nfs/dbraw/zinc/00/48/53/419004853.db2.gz WISLXFKVORFKCD-CQSZACIVSA-N 2 0 336.440 -0.064 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000662933710 419005805 /nfs/dbraw/zinc/00/58/05/419005805.db2.gz YTFQFYOUEJCPCW-CQSZACIVSA-N 2 0 339.484 -0.580 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000662940007 419006626 /nfs/dbraw/zinc/00/66/26/419006626.db2.gz DSMODLHLFRHZIW-CQSZACIVSA-N 2 0 328.457 -0.247 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC000643775856 419053172 /nfs/dbraw/zinc/05/31/72/419053172.db2.gz DLMOKDJIJJFDMY-GJZGRUSLSA-N 2 0 340.468 -0.105 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)C[C@H]1C[NH3+] ZINC000652690576 419062528 /nfs/dbraw/zinc/06/25/28/419062528.db2.gz JWGGZIBNKPIEMA-UKRRQHHQSA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@H](O)CN3CCOCC3)C2)CC1 ZINC000644562013 419169340 /nfs/dbraw/zinc/16/93/40/419169340.db2.gz NZIYEOZZEBZAHM-WBVHZDCISA-N 2 0 326.485 -0.562 20 0 EBADRP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000652692052 419180458 /nfs/dbraw/zinc/18/04/58/419180458.db2.gz HRBWKFPLLZOOCS-INIZCTEOSA-N 2 0 348.447 -0.141 20 0 EBADRP CCN(C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[C@@H]1CC[N@H+](C)C1 ZINC000658358977 419245879 /nfs/dbraw/zinc/24/58/79/419245879.db2.gz BSFWLKXHKQHUAA-CYBMUJFWSA-N 2 0 336.440 -0.064 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CC)CC2)C[C@H]1C[NH3+] ZINC000652667482 419247616 /nfs/dbraw/zinc/24/76/16/419247616.db2.gz SWRFUTQLKAHIFN-TZMCWYRMSA-N 2 0 326.441 -0.591 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652682854 419251753 /nfs/dbraw/zinc/25/17/53/419251753.db2.gz XKRDCKBXSQJXGH-RRFJBIMHSA-N 2 0 340.468 -0.343 20 0 EBADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC1=O ZINC000644894002 419261293 /nfs/dbraw/zinc/26/12/93/419261293.db2.gz BUCXUTKPHCPPHQ-UONOGXRCSA-N 2 0 326.441 -0.624 20 0 EBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000652707300 419301567 /nfs/dbraw/zinc/30/15/67/419301567.db2.gz WGQNOXCTWOHCMG-CQSZACIVSA-N 2 0 328.457 -0.343 20 0 EBADRP CC[NH+]1CCN(CCC(=O)N[C@@H](CO)C[NH+]2CCCCC2)CC1 ZINC000413814267 419310201 /nfs/dbraw/zinc/31/02/01/419310201.db2.gz IQEWYHDWSZHTIH-MRXNPFEDSA-N 2 0 326.485 -0.023 20 0 EBADRP COC(=O)[C@@]1(C)CCC[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000414102868 419313772 /nfs/dbraw/zinc/31/37/72/419313772.db2.gz DELMJFHKKLNHHN-WBMJQRKESA-N 2 0 325.409 -0.049 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C[C@H]1C[NH3+] ZINC000652728930 419323835 /nfs/dbraw/zinc/32/38/35/419323835.db2.gz IJDMYHUHIHZMFN-HZSPNIEDSA-N 2 0 326.441 -0.639 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)C[C@H]1C[NH3+] ZINC000652731694 419332357 /nfs/dbraw/zinc/33/23/57/419332357.db2.gz RILUYIAOEVCQSL-RBSFLKMASA-N 2 0 340.468 -0.202 20 0 EBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000652732453 419336347 /nfs/dbraw/zinc/33/63/47/419336347.db2.gz LMFRYMCBNIOSAQ-CQSZACIVSA-N 2 0 326.441 -0.493 20 0 EBADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@H]([NH3+])C3)c2)CC1 ZINC000415349810 419416587 /nfs/dbraw/zinc/41/65/87/419416587.db2.gz DSTXWVPTXAYNRN-HNNXBMFYSA-N 2 0 345.447 -0.068 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000340571672 419364069 /nfs/dbraw/zinc/36/40/69/419364069.db2.gz GZHYMMUCXQRQDL-UHFFFAOYSA-N 2 0 342.484 -0.129 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000343880908 419475209 /nfs/dbraw/zinc/47/52/09/419475209.db2.gz CAECFYIYKIYPHG-UONOGXRCSA-N 2 0 326.441 -0.624 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000348014516 419499524 /nfs/dbraw/zinc/49/95/24/419499524.db2.gz MXGOGBZVHGZXED-KBPBESRZSA-N 2 0 328.457 -0.378 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCOC1C[NH2+]C1 ZINC000348988453 419500737 /nfs/dbraw/zinc/50/07/37/419500737.db2.gz HNGXLXIZMLBCSL-AWEZNQCLSA-N 2 0 326.441 -0.576 20 0 EBADRP CN(C)C(=O)C(C)(C)[NH2+]CCOCC[NH2+]C(C)(C)C(=O)N(C)C ZINC000532717353 419622510 /nfs/dbraw/zinc/62/25/10/419622510.db2.gz QNRVDXNDYUHFBB-UHFFFAOYSA-N 2 0 330.473 -0.084 20 0 EBADRP C[C@@H](NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)[C@H]1CN(C)CCO1 ZINC000655709894 419623774 /nfs/dbraw/zinc/62/37/74/419623774.db2.gz OKQNVYKWPSYAMJ-LXTVHRRPSA-N 2 0 328.457 -0.198 20 0 EBADRP C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCOCC[NH+](C)C)CC[N@@H+]1C ZINC000360278429 419687005 /nfs/dbraw/zinc/68/70/05/419687005.db2.gz JRPNRNUODXFXTM-KBPBESRZSA-N 2 0 328.457 -0.378 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CCO1 ZINC000659716761 419786728 /nfs/dbraw/zinc/78/67/28/419786728.db2.gz CKWPXZXFXHINEE-UONOGXRCSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@@H](CNC(=O)N1CCO[C@H](C[NH+](C)C)C1)C[NH+]1CCN(C)CC1 ZINC000175774347 419773087 /nfs/dbraw/zinc/77/30/87/419773087.db2.gz UWEADQVIYLHPRK-JKSUJKDBSA-N 2 0 341.500 -0.158 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659711256 419774349 /nfs/dbraw/zinc/77/43/49/419774349.db2.gz YMXSOIHJNMQMBW-KGLIPLIRSA-N 2 0 327.473 -0.900 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC2CCC([NH3+])CC2)CCO1 ZINC000659713342 419780830 /nfs/dbraw/zinc/78/08/30/419780830.db2.gz ICBPSHWTPLGTFV-YMAMQOFZSA-N 2 0 340.468 -0.058 20 0 EBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419878721 419815317 /nfs/dbraw/zinc/81/53/17/419815317.db2.gz YHIWRTLOJBFUAJ-UHFFFAOYSA-N 2 0 339.484 -0.658 20 0 EBADRP CCC[NH2+]CCNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000419906317 419818895 /nfs/dbraw/zinc/81/88/95/419818895.db2.gz CASYVXGQTVVYMF-UHFFFAOYSA-N 2 0 341.500 -0.413 20 0 EBADRP CCC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000419907275 419819048 /nfs/dbraw/zinc/81/90/48/419819048.db2.gz FJQUQDGZDDBKDJ-HNNXBMFYSA-N 2 0 340.468 -0.327 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC2)c1 ZINC000419962978 419820004 /nfs/dbraw/zinc/82/00/04/419820004.db2.gz VSSQKUPGPDJBMS-GFCCVEGCSA-N 2 0 335.408 -0.550 20 0 EBADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000420016065 419832976 /nfs/dbraw/zinc/83/29/76/419832976.db2.gz RRIBFJRNMTUREJ-RBSFLKMASA-N 2 0 339.484 -0.533 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000420025480 419837672 /nfs/dbraw/zinc/83/76/72/419837672.db2.gz ZXCLESHORFYMKK-OAHLLOKOSA-N 2 0 340.468 -0.343 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422093149 419867650 /nfs/dbraw/zinc/86/76/50/419867650.db2.gz ACCLVMDDMFKPRJ-CQSZACIVSA-N 2 0 328.457 -0.424 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)c1 ZINC000423257090 419925720 /nfs/dbraw/zinc/92/57/20/419925720.db2.gz HLCORHZPFHQTAA-LBPRGKRZSA-N 2 0 333.392 -0.702 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000423259105 419926550 /nfs/dbraw/zinc/92/65/50/419926550.db2.gz NLXRDXPILSJRLL-ZDUSSCGKSA-N 2 0 347.419 -0.441 20 0 EBADRP COC1CC[NH+](CCNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000646180810 420540055 /nfs/dbraw/zinc/54/00/55/420540055.db2.gz CCOLYHPURBUHKQ-ZDUSSCGKSA-N 2 0 336.440 -0.129 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000509664772 420676081 /nfs/dbraw/zinc/67/60/81/420676081.db2.gz IKEAXERZUPVUPL-YDHLFZDLSA-N 2 0 328.457 -0.299 20 0 EBADRP CC(C)(C)OC(=O)NCCNC(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2 ZINC000496866729 420649544 /nfs/dbraw/zinc/64/95/44/420649544.db2.gz UUJYZTRWVPCQBV-LBPRGKRZSA-N 2 0 326.445 -0.375 20 0 EBADRP O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)NC[C@@H]1COCC[NH2+]1 ZINC000529379500 420764282 /nfs/dbraw/zinc/76/42/82/420764282.db2.gz XPNNQRXHUXICSQ-IXDOHACOSA-N 2 0 348.447 -0.091 20 0 EBADRP CN1CC[NH+](CC2CCN(C(=O)NC[C@H]3COCC[NH2+]3)CC2)CC1 ZINC000529380346 420765053 /nfs/dbraw/zinc/76/50/53/420765053.db2.gz VAIBHGMQDZLLAA-INIZCTEOSA-N 2 0 339.484 -0.356 20 0 EBADRP O[C@@H]1C[C@H]2CN(C/C=C\CN3CC[N@@H+]4C[C@H](O)C[C@H]4C3)CC[NH+]2C1 ZINC000653829590 420706831 /nfs/dbraw/zinc/70/68/31/420706831.db2.gz MUEWXMHVFSQYEQ-BSQWGWPVSA-N 2 0 336.480 -0.956 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000522002029 420714410 /nfs/dbraw/zinc/71/44/10/420714410.db2.gz PCHTYLYYFHMFFM-AVGNSLFASA-N 2 0 328.457 -0.468 20 0 EBADRP [NH3+][C@@H]1CCCCN(CC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1=O ZINC000649321160 420800297 /nfs/dbraw/zinc/80/02/97/420800297.db2.gz NBHHNDPKJKJKBY-KFWWJZLASA-N 2 0 338.452 -0.616 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCO[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000649410463 420808645 /nfs/dbraw/zinc/80/86/45/420808645.db2.gz BYVQQHQTWAZKHR-BZUAXINKSA-N 2 0 342.484 -0.493 20 0 EBADRP CC[NH+]1CCN(CC(C)(C)NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000654412776 420826554 /nfs/dbraw/zinc/82/65/54/420826554.db2.gz MOTOBGOQMGVSOJ-MRXNPFEDSA-N 2 0 337.512 -0.091 20 0 EBADRP C[C@@H]1CC[NH+](CC(=O)N[C@H](CO)CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000654997599 420846851 /nfs/dbraw/zinc/84/68/51/420846851.db2.gz GAHXJAJKAHZTQA-ZNMIVQPWSA-N 2 0 340.468 -0.737 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CCCO1 ZINC000654545710 420833218 /nfs/dbraw/zinc/83/32/18/420833218.db2.gz CHRLLWVAIWWIMD-OWCLPIDISA-N 2 0 340.468 -0.052 20 0 EBADRP C[NH+](C)CCCN1C(=O)C[C@H](N2CCN([C@H]3CCOC3)CC2)C1=O ZINC000656477325 420897628 /nfs/dbraw/zinc/89/76/28/420897628.db2.gz FWJBIZMIHFHOEC-GJZGRUSLSA-N 2 0 338.452 -0.528 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656020245 420866612 /nfs/dbraw/zinc/86/66/12/420866612.db2.gz PFJLQTOGJFCLSP-FQUUOJAGSA-N 2 0 326.441 -0.532 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656023191 420867068 /nfs/dbraw/zinc/86/70/68/420867068.db2.gz YDBGXFOGKKGEAE-CIQGVGRVSA-N 2 0 326.441 -0.546 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656024416 420867176 /nfs/dbraw/zinc/86/71/76/420867176.db2.gz ORGVQAKCHMQGCO-MELADBBJSA-N 2 0 340.468 -0.155 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656039873 420868361 /nfs/dbraw/zinc/86/83/61/420868361.db2.gz JQSYXPQHGWSYDH-SBJFKYEJSA-N 2 0 338.452 -0.722 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656041292 420868395 /nfs/dbraw/zinc/86/83/95/420868395.db2.gz OZYGRRVVSLWLAP-RFQIPJPRSA-N 2 0 326.441 -0.579 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656039522 420869427 /nfs/dbraw/zinc/86/94/27/420869427.db2.gz BWMUSUQSWZNLBB-RYPNDVFKSA-N 2 0 340.468 -0.191 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000656039788 420869638 /nfs/dbraw/zinc/86/96/38/420869638.db2.gz GUWBQBBDFCDMQU-APIJFGDWSA-N 2 0 340.468 -0.060 20 0 EBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000656103158 420881196 /nfs/dbraw/zinc/88/11/96/420881196.db2.gz WRXNTZDCGVOCJI-KBPBESRZSA-N 2 0 340.468 -0.106 20 0 EBADRP O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656288244 420884428 /nfs/dbraw/zinc/88/44/28/420884428.db2.gz ACAPOJQRPJJVQD-LSDHHAIUSA-N 2 0 336.436 -0.993 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CCCO1 ZINC000659677698 421012912 /nfs/dbraw/zinc/01/29/12/421012912.db2.gz RVQXWEOVHPOPMG-TUBUQKNSSA-N 2 0 338.452 -0.447 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000659686832 421014545 /nfs/dbraw/zinc/01/45/45/421014545.db2.gz KQFCPRZNQPYPDH-CYBMUJFWSA-N 2 0 336.436 -0.033 20 0 EBADRP CC(C)[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])N1CC[NH+](C)CC1 ZINC000659685585 421014820 /nfs/dbraw/zinc/01/48/20/421014820.db2.gz SKVISPFWCNQSRE-CQSZACIVSA-N 2 0 341.500 -0.430 20 0 EBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NCC2([NH3+])CCCC2)CC1(C)C ZINC000659689185 421015446 /nfs/dbraw/zinc/01/54/46/421015446.db2.gz VYAHOUZWSKFNTL-UHFFFAOYSA-N 2 0 339.484 -0.484 20 0 EBADRP [NH3+]C1(CNC(=O)C(=O)NCCCC[NH+]2CCOCC2)CCCC1 ZINC000659697306 421016668 /nfs/dbraw/zinc/01/66/68/421016668.db2.gz AGMJUIUUULIQPB-UHFFFAOYSA-N 2 0 326.441 -0.397 20 0 EBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)NCCC[NH3+])C1 ZINC000659709954 421018352 /nfs/dbraw/zinc/01/83/52/421018352.db2.gz NTKXRLWYMYRRKU-MRXNPFEDSA-N 2 0 347.463 -0.616 20 0 EBADRP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659712843 421018949 /nfs/dbraw/zinc/01/89/49/421018949.db2.gz GHKMDJXPGLIXQC-GOEBONIOSA-N 2 0 347.463 -0.618 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CCO1 ZINC000659729985 421022610 /nfs/dbraw/zinc/02/26/10/421022610.db2.gz WLASARDGDGHYHL-AWEZNQCLSA-N 2 0 340.468 -0.199 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000659729694 421022746 /nfs/dbraw/zinc/02/27/46/421022746.db2.gz TUNOXVWDYAWUBQ-BFHYXJOUSA-N 2 0 328.457 -0.202 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000659729697 421023272 /nfs/dbraw/zinc/02/32/72/421023272.db2.gz TUNOXVWDYAWUBQ-MJBXVCDLSA-N 2 0 328.457 -0.202 20 0 EBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC[NH2+]1 ZINC000659725097 421023492 /nfs/dbraw/zinc/02/34/92/421023492.db2.gz ZWKCIYRKYNMMKG-ILXRZTDVSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)[C@@H](C)C[NH2+]1 ZINC000659738496 421024743 /nfs/dbraw/zinc/02/47/43/421024743.db2.gz FFGLEWOPYJDIFW-VNHYZAJKSA-N 2 0 338.452 -0.435 20 0 EBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC([NH2+]CCOC)CC2)C1 ZINC000659739462 421026630 /nfs/dbraw/zinc/02/66/30/421026630.db2.gz UUSXBKRKZIZACS-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659756526 421029580 /nfs/dbraw/zinc/02/95/80/421029580.db2.gz RXHKVRFFOZKJIX-DZGCQCFKSA-N 2 0 339.484 -0.663 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000659749505 421029841 /nfs/dbraw/zinc/02/98/41/421029841.db2.gz IEXLFARHQSFGSI-ZDUSSCGKSA-N 2 0 326.441 -0.719 20 0 EBADRP C[NH2+]C[C@@](C)(O)CN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337635 421085637 /nfs/dbraw/zinc/08/56/37/421085637.db2.gz MKCJDQDKZAURQD-WMLDXEAASA-N 2 0 336.484 -0.031 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000662907183 421107603 /nfs/dbraw/zinc/10/76/03/421107603.db2.gz NQRCHEVJSORYJR-ZIAGYGMSSA-N 2 0 333.440 -0.678 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC[C@H]1F ZINC000662926021 421110164 /nfs/dbraw/zinc/11/01/64/421110164.db2.gz NTVOEQYKEUGWPG-MGPQQGTHSA-N 2 0 326.416 -0.029 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000662939927 421112100 /nfs/dbraw/zinc/11/21/00/421112100.db2.gz QWYYLZGSKQBRPK-UHFFFAOYSA-N 2 0 340.468 -0.103 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC[C@H]1F ZINC000662934321 421112162 /nfs/dbraw/zinc/11/21/62/421112162.db2.gz LUIMARMYKBJSCD-BFHYXJOUSA-N 2 0 326.416 -0.172 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC[C@@H]1[NH3+] ZINC000662957076 421117463 /nfs/dbraw/zinc/11/74/63/421117463.db2.gz FDXUTAHVKLKYDN-ILXRZTDVSA-N 2 0 340.468 -0.249 20 0 EBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663014910 421122734 /nfs/dbraw/zinc/12/27/34/421122734.db2.gz POAJFVCKUZLMQH-DZGCQCFKSA-N 2 0 348.451 -0.486 20 0 EBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663014913 421123119 /nfs/dbraw/zinc/12/31/19/421123119.db2.gz POAJFVCKUZLMQH-ZFWWWQNUSA-N 2 0 348.451 -0.486 20 0 EBADRP CN(CCC[NH+](C)C)CCNC(=O)NCc1nc2ncccn2n1 ZINC000665142288 421174939 /nfs/dbraw/zinc/17/49/39/421174939.db2.gz IFTXJGSFJIKDJS-UHFFFAOYSA-N 2 0 334.428 -0.193 20 0 EBADRP C[C@H]1[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CCC[N@@H+]1C ZINC000344408434 421212322 /nfs/dbraw/zinc/21/23/22/421212322.db2.gz BJMJEDRFMUGOSF-QWHCGFSZSA-N 2 0 336.440 -0.018 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000626873217 421219382 /nfs/dbraw/zinc/21/93/82/421219382.db2.gz SYSVFJCEQYDUAQ-UHFFFAOYSA-N 2 0 346.391 -0.100 20 0 EBADRP CNc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000573088760 421222036 /nfs/dbraw/zinc/22/20/36/421222036.db2.gz VLCVXYYTFPIAMR-UHFFFAOYSA-N 2 0 336.440 0.014 20 0 EBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000354704664 421222055 /nfs/dbraw/zinc/22/20/55/421222055.db2.gz ICFVCZABAOYRHB-ZDUSSCGKSA-N 2 0 328.376 0.464 20 0 EBADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)([NH+](C)C)C1 ZINC000418926772 264843096 /nfs/dbraw/zinc/84/30/96/264843096.db2.gz UICRMPFIBSJJLR-KEYYUXOJSA-N 2 0 340.468 -0.201 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000419027245 264844865 /nfs/dbraw/zinc/84/48/65/264844865.db2.gz OFNGZTNUEVNVQW-KGLIPLIRSA-N 2 0 328.457 -0.425 20 0 EBADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N(CC[NH3+])CCO)c1 ZINC000419014182 264845540 /nfs/dbraw/zinc/84/55/40/264845540.db2.gz CLTDNBRDQMIEGJ-UHFFFAOYSA-N 2 0 336.436 -0.466 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000419574768 264880811 /nfs/dbraw/zinc/88/08/11/264880811.db2.gz ABBDQCSFULTPRV-XUJVJEKNSA-N 2 0 328.482 -0.346 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])C1 ZINC000419723339 264884367 /nfs/dbraw/zinc/88/43/67/264884367.db2.gz FUZXHPBQXSUNHM-HZSPNIEDSA-N 2 0 326.441 -0.591 20 0 EBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419873885 264901052 /nfs/dbraw/zinc/90/10/52/264901052.db2.gz SDFNEACFZXVDNC-UHFFFAOYSA-N 2 0 327.473 -0.946 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000420005146 264914075 /nfs/dbraw/zinc/91/40/75/264914075.db2.gz OWMQUVGOJKYVTQ-LBPRGKRZSA-N 2 0 335.408 -0.408 20 0 EBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000423398143 265003089 /nfs/dbraw/zinc/00/30/89/265003089.db2.gz TZXKZSGUKZBBRE-ZNMIVQPWSA-N 2 0 340.468 -0.106 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000423442882 265004702 /nfs/dbraw/zinc/00/47/02/265004702.db2.gz KFIKUSDFFAYCRP-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423517390 265007978 /nfs/dbraw/zinc/00/79/78/265007978.db2.gz YHJKCXWLXDIOIT-HNNXBMFYSA-N 2 0 337.468 -0.955 20 0 EBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)C1 ZINC000423602305 265018131 /nfs/dbraw/zinc/01/81/31/265018131.db2.gz CXMVQNKOYXSVBA-AWEZNQCLSA-N 2 0 327.473 -0.851 20 0 EBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000423604379 265018509 /nfs/dbraw/zinc/01/85/09/265018509.db2.gz IGFQTSSTSPNBGC-HUUCEWRRSA-N 2 0 338.452 -0.623 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000423665315 265030039 /nfs/dbraw/zinc/03/00/39/265030039.db2.gz HEYXSGOHTULZCS-ILXRZTDVSA-N 2 0 340.468 -0.106 20 0 EBADRP CO[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)[C@@H](C[NH3+])C1 ZINC000423682609 265031895 /nfs/dbraw/zinc/03/18/95/265031895.db2.gz WEHLAPGWWGIFPB-RQJABVFESA-N 2 0 326.441 -0.498 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])C1 ZINC000423694321 265032996 /nfs/dbraw/zinc/03/29/96/265032996.db2.gz ARYBWLOBQGAHIJ-UONOGXRCSA-N 2 0 328.457 -0.249 20 0 EBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423709785 265036067 /nfs/dbraw/zinc/03/60/67/265036067.db2.gz JEHQBNHGWUGSIA-UHFFFAOYSA-N 2 0 341.500 -0.461 20 0 EBADRP C[NH+]1CCN(c2ccc(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)cn2)CC1 ZINC000423728322 265037313 /nfs/dbraw/zinc/03/73/13/265037313.db2.gz LOKMPQKMXXQKGY-AWEZNQCLSA-N 2 0 346.435 -0.360 20 0 EBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000424062411 265048523 /nfs/dbraw/zinc/04/85/23/265048523.db2.gz VKSDQRFYZVBSQT-GFCCVEGCSA-N 2 0 334.424 -0.620 20 0 EBADRP O=C(c1c[nH]nc1[C@H]1CCC[NH2+]C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000424179724 265049860 /nfs/dbraw/zinc/04/98/60/265049860.db2.gz TZPOBYZUWUBHCP-UONOGXRCSA-N 2 0 332.452 -0.004 20 0 EBADRP O=C(Nc1ccccc1OCCN1CC[NH2+]CC1)[C@H]1C[NH2+]CCO1 ZINC000424194314 265050436 /nfs/dbraw/zinc/05/04/36/265050436.db2.gz LJQATYYZIGZOCW-MRXNPFEDSA-N 2 0 334.420 -0.103 20 0 EBADRP O=C(c1c[nH]nc1[C@H]1CCC[NH2+]C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000424177575 265050838 /nfs/dbraw/zinc/05/08/38/265050838.db2.gz PVRKQWIRPMGJLQ-UONOGXRCSA-N 2 0 332.452 -0.004 20 0 EBADRP COCC(C)(C)[NH+]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000424217489 265051762 /nfs/dbraw/zinc/05/17/62/265051762.db2.gz LUTRZBLKNJVMKE-ZDUSSCGKSA-N 2 0 326.441 -0.576 20 0 EBADRP CC[C@H](C(=O)N[C@H]1CC(=O)N(CC[N@H+](C)CCOC)C1)[NH+](C)C ZINC000425311131 265091083 /nfs/dbraw/zinc/09/10/83/265091083.db2.gz FPSITSPDOJIFPQ-UONOGXRCSA-N 2 0 328.457 -0.378 20 0 EBADRP CC[C@H](C(=O)N[C@@H]1CC(=O)N(CC[N@H+](C)CCOC)C1)[NH+](C)C ZINC000425311133 265091288 /nfs/dbraw/zinc/09/12/88/265091288.db2.gz FPSITSPDOJIFPQ-ZIAGYGMSSA-N 2 0 328.457 -0.378 20 0 EBADRP CN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@@H](C(=O)N(C)CC[NH+](C)C)O1 ZINC000427245023 265103202 /nfs/dbraw/zinc/10/32/02/265103202.db2.gz YKSNMDYQDUIYPH-KBPBESRZSA-N 2 0 328.457 -0.426 20 0 EBADRP Cn1nnc(CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)n1 ZINC000427136664 265103528 /nfs/dbraw/zinc/10/35/28/265103528.db2.gz LQXANVRPFXEFEQ-UHFFFAOYSA-N 2 0 326.449 -0.375 20 0 EBADRP COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430652120 265152093 /nfs/dbraw/zinc/15/20/93/265152093.db2.gz MQJLWUWZYJWXEQ-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H]1C[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[C@@H]1[NH3+] ZINC000430929206 265155715 /nfs/dbraw/zinc/15/57/15/265155715.db2.gz NWMYGZYKFOYDCV-RYUDHWBXSA-N 2 0 334.424 -0.507 20 0 EBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000430895038 265156687 /nfs/dbraw/zinc/15/66/87/265156687.db2.gz RNIRJWKMRILAED-UONOGXRCSA-N 2 0 326.441 -0.541 20 0 EBADRP C[C@@H]([NH3+])C1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000430960477 265158615 /nfs/dbraw/zinc/15/86/15/265158615.db2.gz JLOHAXQSCUCSCQ-LLVKDONJSA-N 2 0 334.424 -0.507 20 0 EBADRP CCNC(=O)CN1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433127733 265185832 /nfs/dbraw/zinc/18/58/32/265185832.db2.gz JGJSTOTVXUWXPE-UHFFFAOYSA-N 2 0 339.484 -0.530 20 0 EBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433136145 265186009 /nfs/dbraw/zinc/18/60/09/265186009.db2.gz KUNRPJCJABWDQR-OAHLLOKOSA-N 3 0 339.484 -0.354 20 0 EBADRP CC[NH+]1CCN(CCC(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000434420750 265204171 /nfs/dbraw/zinc/20/41/71/265204171.db2.gz SEJQFCSWNWPUJF-INIZCTEOSA-N 2 0 326.485 -0.023 20 0 EBADRP O=C1C[C@]2(CC[NH+](C/C=C/C[N@H+]3CC[C@@]4(CNC(=O)C4)C3)C2)CN1 ZINC000434738645 265211176 /nfs/dbraw/zinc/21/11/76/265211176.db2.gz OOCOXYONDDNGAZ-ZHEVZCJESA-N 2 0 332.448 -0.033 20 0 EBADRP CC[C@H](O)C[NH+]1CCN(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000441429173 265305839 /nfs/dbraw/zinc/30/58/39/265305839.db2.gz MKWGALMWOQFCSC-QAETUUGQSA-N 2 0 329.485 -0.155 20 0 EBADRP CN(CCCNC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1)S(C)(=O)=O ZINC000443055892 265338297 /nfs/dbraw/zinc/33/82/97/265338297.db2.gz BXGODOHGGYBZJX-ZDUSSCGKSA-N 2 0 334.486 -0.555 20 0 EBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)NCCOCC[NH+](C)C)C2)CC1 ZINC000471643576 265486718 /nfs/dbraw/zinc/48/67/18/265486718.db2.gz RFXOYCCNIMURNN-INIZCTEOSA-N 2 0 341.500 -0.014 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419992597 272817544 /nfs/dbraw/zinc/81/75/44/272817544.db2.gz FOGKJRXHHXNQJN-AWEZNQCLSA-N 2 0 328.457 -0.471 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)C(=O)N2CCC([NH+](C)CCO)CC2)CCC[N@@H+]1C ZINC000347797562 279090097 /nfs/dbraw/zinc/09/00/97/279090097.db2.gz ZAQWHHUXRLSVJG-HIFRSBDPSA-N 2 0 340.468 -0.500 20 0 EBADRP C[NH+](C)C1(CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CCOCC1 ZINC000354708768 289044849 /nfs/dbraw/zinc/04/48/49/289044849.db2.gz MFMVFIPTJBGZQC-ZDUSSCGKSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)[C@@H](C)C1 ZINC000376776761 290096374 /nfs/dbraw/zinc/09/63/74/290096374.db2.gz JBODDUMZQQLMLW-CAOSSQGBSA-N 2 0 340.468 -0.054 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C)CC2)CCO1 ZINC000668362215 545662372 /nfs/dbraw/zinc/66/23/72/545662372.db2.gz SVTLAOZMFGFYHQ-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCCn2ccnc2)CCO1 ZINC000668376353 545664183 /nfs/dbraw/zinc/66/41/83/545664183.db2.gz BXOKPQVBSGRMBI-CQSZACIVSA-N 2 0 337.424 -0.432 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672003590 545721327 /nfs/dbraw/zinc/72/13/27/545721327.db2.gz DOMVTLUYPGEWLR-CQSZACIVSA-N 2 0 326.441 -0.719 20 0 EBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000668633893 545725521 /nfs/dbraw/zinc/72/55/21/545725521.db2.gz UCYMAEZJDAVVRC-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CC2)CCO1 ZINC000668658497 545727918 /nfs/dbraw/zinc/72/79/18/545727918.db2.gz NVBHHUXHAYMHOR-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668672624 545733182 /nfs/dbraw/zinc/73/31/82/545733182.db2.gz VXQHCCIVKLVCDI-DZGCQCFKSA-N 2 0 340.468 -0.500 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000668751340 545752813 /nfs/dbraw/zinc/75/28/13/545752813.db2.gz UJXJUIRMRDASNE-ZDUSSCGKSA-N 2 0 328.457 -0.330 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000668751039 545753175 /nfs/dbraw/zinc/75/31/75/545753175.db2.gz QCZYFBUCLWAVBE-HNNXBMFYSA-N 2 0 342.484 -0.083 20 0 EBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCC[NH+]2CCOC)C1 ZINC000668786930 545760343 /nfs/dbraw/zinc/76/03/43/545760343.db2.gz KIWAFGITZQWFBM-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000668839745 545768572 /nfs/dbraw/zinc/76/85/72/545768572.db2.gz CNPYFVCFSVBMKX-KGLIPLIRSA-N 2 0 340.468 -0.188 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000668842585 545770687 /nfs/dbraw/zinc/77/06/87/545770687.db2.gz KCMLPCQIPVMPTC-ZIAGYGMSSA-N 2 0 340.468 -0.188 20 0 EBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])C2)CC1 ZINC000595995700 545800536 /nfs/dbraw/zinc/80/05/36/545800536.db2.gz WISXCHPJBSJBTQ-CQSZACIVSA-N 2 0 339.484 -0.580 20 0 EBADRP C[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000669403294 545868105 /nfs/dbraw/zinc/86/81/05/545868105.db2.gz SLQUEHPBGPSCFE-LSDHHAIUSA-N 2 0 337.468 -0.066 20 0 EBADRP C[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000669403291 545868302 /nfs/dbraw/zinc/86/83/02/545868302.db2.gz SLQUEHPBGPSCFE-CABCVRRESA-N 2 0 337.468 -0.066 20 0 EBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000669491326 545881707 /nfs/dbraw/zinc/88/17/07/545881707.db2.gz VOEDIBGZEXCFLH-CABCVRRESA-N 2 0 337.468 -0.033 20 0 EBADRP C[C@H](O)C[N@@H+]1CCN(C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000337395448 545896144 /nfs/dbraw/zinc/89/61/44/545896144.db2.gz FQQUXUZPVJYALA-QUSNUVHPSA-N 2 0 329.485 -0.157 20 0 EBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000342983256 545921911 /nfs/dbraw/zinc/92/19/11/545921911.db2.gz APIGQLXEKFQWFX-KGLIPLIRSA-N 2 0 327.473 -0.805 20 0 EBADRP C[C@@H](NC(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC000672009166 546078183 /nfs/dbraw/zinc/07/81/83/546078183.db2.gz YXZIRVYJBDXDBP-HIFRSBDPSA-N 2 0 340.468 -0.378 20 0 EBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000672596927 546112974 /nfs/dbraw/zinc/11/29/74/546112974.db2.gz HYQVXGDIMVPUFF-GJZGRUSLSA-N 2 0 339.484 -0.661 20 0 EBADRP C[C@H](C[C@H]1CCOC1)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000673218877 546135060 /nfs/dbraw/zinc/13/50/60/546135060.db2.gz IEIHJUMPHFPUSR-HUUCEWRRSA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[NH+]1CCCC1 ZINC000676090647 546194621 /nfs/dbraw/zinc/19/46/21/546194621.db2.gz XCEXIBCIPJHSPT-CYBMUJFWSA-N 2 0 336.440 -0.016 20 0 EBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676099676 546196747 /nfs/dbraw/zinc/19/67/47/546196747.db2.gz LCXJNGJPFUULNO-IUODEOHRSA-N 2 0 348.451 -0.018 20 0 EBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000677877671 546238141 /nfs/dbraw/zinc/23/81/41/546238141.db2.gz IYAWSAUMBRAUSW-GJZGRUSLSA-N 2 0 337.468 -0.920 20 0 EBADRP C[NH+](C)CCOCCNC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000682613538 546337368 /nfs/dbraw/zinc/33/73/68/546337368.db2.gz JVUZRFMZJNLLCB-CABCVRRESA-N 2 0 328.457 -0.195 20 0 EBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000891563485 582558443 /nfs/dbraw/zinc/55/84/43/582558443.db2.gz HTVPBOLBTBDRHH-OWCLPIDISA-N 2 0 339.484 -0.038 20 0 EBADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891565089 582558616 /nfs/dbraw/zinc/55/86/16/582558616.db2.gz PBPCARVTHQSXBC-OWCLPIDISA-N 2 0 337.468 -0.461 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)NCC[NH+]2CCC(O)CC2)CC1 ZINC000891805805 582561280 /nfs/dbraw/zinc/56/12/80/582561280.db2.gz QYYKASOAZSLBIM-UHFFFAOYSA-N 2 0 341.500 -0.232 20 0 EBADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000891970840 582564215 /nfs/dbraw/zinc/56/42/15/582564215.db2.gz PLYKRNYKFIOKQG-INIZCTEOSA-N 2 0 325.457 -0.175 20 0 EBADRP [NH3+][C@@H](CCNC(=O)NCC(=O)N1CC[NH2+]CC1)Cc1ccccc1 ZINC000891970391 582564705 /nfs/dbraw/zinc/56/47/05/582564705.db2.gz KCUZGQXBBQCFRD-HNNXBMFYSA-N 2 0 333.436 -0.323 20 0 EBADRP O=C(NC[C@@H]1CCC[NH2+]C1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891979735 582564950 /nfs/dbraw/zinc/56/49/50/582564950.db2.gz QWZHLUFWPQEFBD-RQJABVFESA-N 2 0 337.424 -0.438 20 0 EBADRP O=C(N[C@H]1CC[NH2+]C1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892006948 582565563 /nfs/dbraw/zinc/56/55/63/582565563.db2.gz NMUAXCNGFDNEHQ-LSDHHAIUSA-N 2 0 325.457 -0.556 20 0 EBADRP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892037509 582566466 /nfs/dbraw/zinc/56/64/66/582566466.db2.gz DHJKLZOTYUNLMK-FQUUOJAGSA-N 2 0 339.440 -0.064 20 0 EBADRP CC[C@@H]([NH3+])CNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892148228 582567858 /nfs/dbraw/zinc/56/78/58/582567858.db2.gz WERMULDCKAKWLZ-CABCVRRESA-N 2 0 327.473 -0.181 20 0 EBADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892275140 582572776 /nfs/dbraw/zinc/57/27/76/582572776.db2.gz SLTQFPLQMDHGIA-RFQIPJPRSA-N 2 0 349.435 -0.153 20 0 EBADRP COC(=O)[C@@H]1CN(C(=S)NC2CC[NH+](C)CC2)CC[N@H+](C)C1 ZINC000840856766 582575612 /nfs/dbraw/zinc/57/56/12/582575612.db2.gz KVJHRKRLHGOEGD-LBPRGKRZSA-N 2 0 328.482 -0.008 20 0 EBADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000516925476 582628564 /nfs/dbraw/zinc/62/85/64/582628564.db2.gz PSZNZMDGAPOCQO-JKSUJKDBSA-N 2 0 332.452 -0.073 20 0 EBADRP C[NH+]1CCC(C[NH2+][C@H]2CCCS(=O)(=O)C2)(N2CCOCC2)CC1 ZINC000894897033 582636525 /nfs/dbraw/zinc/63/65/25/582636525.db2.gz WUECWGXFUVELCE-HNNXBMFYSA-N 2 0 345.509 -0.050 20 0 EBADRP O=C(CN1CCC[NH2+]CC1)NCc1cn(C[C@H]2CCCC[NH2+]C2)nn1 ZINC000899740402 582755356 /nfs/dbraw/zinc/75/53/56/582755356.db2.gz HBAWITPNOBGOJG-HNNXBMFYSA-N 2 0 349.483 -0.421 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH+](C)CCO)CC1=O ZINC000899733658 582755728 /nfs/dbraw/zinc/75/57/28/582755728.db2.gz HAAYTUMUJXCULO-HUUCEWRRSA-N 2 0 340.468 -0.641 20 0 EBADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900206911 582764407 /nfs/dbraw/zinc/76/44/07/582764407.db2.gz DUJWVYCFDCVUBM-RHSMWYFYSA-N 2 0 341.452 -0.167 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000900496259 582770839 /nfs/dbraw/zinc/77/08/39/582770839.db2.gz HHCHBDIAMZMTCN-ZQIUZPCESA-N 2 0 340.468 -0.500 20 0 EBADRP C[N@@H+]1CCC[C@](O)(CC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000900513435 582771178 /nfs/dbraw/zinc/77/11/78/582771178.db2.gz WQECGKCDDNTVDK-YOEHRIQHSA-N 2 0 340.468 -0.463 20 0 EBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)NCc1ccccn1)C2 ZINC000903492604 582809694 /nfs/dbraw/zinc/80/96/94/582809694.db2.gz HDPXDXCBJOXOTG-AHIWAGSCSA-N 2 0 332.404 -0.090 20 0 EBADRP COCCN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903719466 582814449 /nfs/dbraw/zinc/81/44/49/582814449.db2.gz LRVCWWKGZONVAM-GASCZTMLSA-N 2 0 338.452 -0.482 20 0 EBADRP O=C([C@@H]1CCC[N@H+](CCN2CCCS2(=O)=O)C1)N1CC[NH2+]CC1 ZINC000903713462 582814855 /nfs/dbraw/zinc/81/48/55/582814855.db2.gz RLHTWFWCFNLWAH-CQSZACIVSA-N 2 0 344.481 -0.834 20 0 EBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903735732 582815817 /nfs/dbraw/zinc/81/58/17/582815817.db2.gz OKGIVTAGBZBXJK-HBNTYKKESA-N 2 0 336.358 -0.113 20 0 EBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903778484 582820316 /nfs/dbraw/zinc/82/03/16/582820316.db2.gz NNECXIQKLBKNAL-OWVAZHOYSA-N 3 0 336.436 -0.378 20 0 EBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903778485 582820352 /nfs/dbraw/zinc/82/03/52/582820352.db2.gz NNECXIQKLBKNAL-RUCLQGLUSA-N 3 0 336.436 -0.378 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)CC[N@@H+]1C ZINC000804054730 583638579 /nfs/dbraw/zinc/63/85/79/583638579.db2.gz WBWHYPCKQUQLDX-TUVASFSCSA-N 2 0 338.452 -0.435 20 0 EBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804059232 583640828 /nfs/dbraw/zinc/64/08/28/583640828.db2.gz IFMIRZRNABDKMV-GJZGRUSLSA-N 2 0 338.452 -0.480 20 0 EBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000807776583 583663257 /nfs/dbraw/zinc/66/32/57/583663257.db2.gz DSIKDEKNIHCDFJ-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CCN(C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[C@@H]1CC[N@H+](C)C1 ZINC000827705047 583926413 /nfs/dbraw/zinc/92/64/13/583926413.db2.gz FOSHLBIKYMPVQD-RBSFLKMASA-N 2 0 338.452 -0.482 20 0 EBADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C[C@@H]1C[NH3+] ZINC000842165373 584058952 /nfs/dbraw/zinc/05/89/52/584058952.db2.gz VMGAGAHDCAFHOU-CBBWQLFWSA-N 2 0 338.452 -0.591 20 0 EBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000842177165 584059551 /nfs/dbraw/zinc/05/95/51/584059551.db2.gz AEFWNBSXKVYOSA-DZKIICNBSA-N 2 0 348.447 -0.145 20 0 EBADRP COCCN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000867314714 584069387 /nfs/dbraw/zinc/06/93/87/584069387.db2.gz QRAOSNKSUUIPRI-HUUCEWRRSA-N 2 0 338.452 -0.670 20 0 EBADRP [NH3+]CC(=O)NCC(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000843329569 584075794 /nfs/dbraw/zinc/07/57/94/584075794.db2.gz OCAAAPKUTYZYLO-UHFFFAOYSA-N 2 0 334.376 -0.391 20 0 EBADRP CN1CCN(S(=O)(=O)N2CC[NH+](CCCCCC[NH3+])CC2)CC1 ZINC000846218184 584122761 /nfs/dbraw/zinc/12/27/61/584122761.db2.gz KJNLXRYCYMUZQE-UHFFFAOYSA-N 2 0 347.529 -0.385 20 0 EBADRP O=C(NCCC1CC[NH2+]CC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000846331255 584124674 /nfs/dbraw/zinc/12/46/74/584124674.db2.gz SIMHERDENDJTMR-GJZGRUSLSA-N 2 0 338.452 -0.528 20 0 EBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C3=NO[C@H](C[NH3+])C3)cn2)CC1 ZINC000852872339 584218274 /nfs/dbraw/zinc/21/82/74/584218274.db2.gz DWMOYVXTPSORCZ-AWEZNQCLSA-N 2 0 346.435 -0.057 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000861730448 584335582 /nfs/dbraw/zinc/33/55/82/584335582.db2.gz WINJWKPPMVLDPT-HOCLYGCPSA-N 2 0 348.447 -0.191 20 0 EBADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000861743590 584336661 /nfs/dbraw/zinc/33/66/61/584336661.db2.gz BPTKQRCZSQLIOV-STQMWFEESA-N 2 0 326.441 -0.401 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000863754304 584376560 /nfs/dbraw/zinc/37/65/60/584376560.db2.gz PZCLMTCZEUXZFP-AWEZNQCLSA-N 2 0 340.468 -0.247 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000863757018 584376881 /nfs/dbraw/zinc/37/68/81/584376881.db2.gz RHJMMHANDMVPAE-UONOGXRCSA-N 2 0 325.457 -0.970 20 0 EBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000866751752 584405508 /nfs/dbraw/zinc/40/55/08/584405508.db2.gz YDNYQKLQOOUWNI-LSDHHAIUSA-N 2 0 347.481 -0.462 20 0 EBADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000866774252 584406253 /nfs/dbraw/zinc/40/62/53/584406253.db2.gz JTHLQZFVGPQJBB-TUVASFSCSA-N 2 0 347.481 -0.335 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)CCCN3CC[NH+](C)CC3)CC[C@@H]21 ZINC000867809503 584417983 /nfs/dbraw/zinc/41/79/83/584417983.db2.gz SAJJJPKJTOCQOI-CVEARBPZSA-N 2 0 344.525 -0.020 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868396314 584428221 /nfs/dbraw/zinc/42/82/21/584428221.db2.gz RPVLSGUICHEAOA-KGLIPLIRSA-N 2 0 326.441 -0.767 20 0 EBADRP C[NH+]1C[C@H]2CCN(C(=O)[C@H](F)C(=O)N3CC[C@H]4C[N@@H+](C)C[C@H]43)[C@@H]2C1 ZINC000868520167 584430784 /nfs/dbraw/zinc/43/07/84/584430784.db2.gz KEQMOQRBXCQRRB-KHMAMNHCSA-N 2 0 338.427 -0.351 20 0 EBADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870999817 584450763 /nfs/dbraw/zinc/45/07/63/584450763.db2.gz PYHGTNMDDNCGPN-XQHKEYJVSA-N 2 0 340.449 -0.525 20 0 EBADRP O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870998568 584450787 /nfs/dbraw/zinc/45/07/87/584450787.db2.gz ZICGQBSXABEWHU-ZQNQSHIBSA-N 2 0 334.420 -0.090 20 0 EBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000872190934 584459160 /nfs/dbraw/zinc/45/91/60/584459160.db2.gz GCNBOKBOKDXEDL-BASYENTBSA-N 2 0 334.464 -0.003 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@H]1C[NH+](C)C ZINC000873217250 584473510 /nfs/dbraw/zinc/47/35/10/584473510.db2.gz LAKZSQXHCIOTRA-GVDBMIGSSA-N 3 0 339.528 -0.145 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCc2ccccn2)C[C@H]1C[NH+](C)C ZINC000874975755 584487211 /nfs/dbraw/zinc/48/72/11/584487211.db2.gz JTOIARIFBHSKBW-HUUCEWRRSA-N 2 0 347.463 -0.104 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C)C(C)(C)CC1 ZINC000875159639 584491276 /nfs/dbraw/zinc/49/12/76/584491276.db2.gz OSCJBVOHHWPKBA-UHFFFAOYSA-N 2 0 328.457 -0.377 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C)C(C)(C)CC2)C1 ZINC000875182087 584492400 /nfs/dbraw/zinc/49/24/00/584492400.db2.gz DEYOPAXFVKNKBB-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP COC[C@@]1(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH2+]CCO1 ZINC000876716795 584521520 /nfs/dbraw/zinc/52/15/20/584521520.db2.gz NIPFNTNPOCGCMN-IJEWVQPXSA-N 2 0 329.441 -0.393 20 0 EBADRP COC[C@]1(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C[NH2+]CCO1 ZINC000876719189 584521688 /nfs/dbraw/zinc/52/16/88/584521688.db2.gz FPBBGCOZTZZMTF-RDJZCZTQSA-N 2 0 341.452 -0.249 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876752482 584522054 /nfs/dbraw/zinc/52/20/54/584522054.db2.gz REZFIAOUYZEQIP-HIFRSBDPSA-N 2 0 326.416 -0.299 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)cn1 ZINC000876771425 584523230 /nfs/dbraw/zinc/52/32/30/584523230.db2.gz RTFSTJVWYYUDMS-SMDDNHRTSA-N 2 0 340.403 -0.553 20 0 EBADRP C[NH+](C)C[C@H](N)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000876781908 584523483 /nfs/dbraw/zinc/52/34/83/584523483.db2.gz RHHBBMFETFYJDK-IRXDYDNUSA-N 2 0 333.480 -0.020 20 0 EBADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876841072 584524836 /nfs/dbraw/zinc/52/48/36/584524836.db2.gz JQKDVISFCWZTRA-OUAUKWLOSA-N 2 0 326.338 -0.114 20 0 EBADRP COC[C@]1(C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)C[NH2+]CCO1 ZINC000876917968 584526890 /nfs/dbraw/zinc/52/68/90/584526890.db2.gz CZQFJMLXKNLEAE-ZOBUZTSGSA-N 2 0 341.452 -0.264 20 0 EBADRP COC[C@]1(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)C[NH2+]CCO1 ZINC000876955255 584527436 /nfs/dbraw/zinc/52/74/36/584527436.db2.gz VYLGYRZDRHSYOD-WBVHZDCISA-N 2 0 341.452 -0.295 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCO2)C[C@H]1C[NH+](C)C ZINC000877143565 584529196 /nfs/dbraw/zinc/52/91/96/584529196.db2.gz RWNYIINEWOGRDM-OAGGEKHMSA-N 3 0 326.485 -0.047 20 0 EBADRP COCC[N@H+](C)C[C@@H](O)CN1CCC([NH+]2CCN(C)CC2)CC1 ZINC000879595782 584554821 /nfs/dbraw/zinc/55/48/21/584554821.db2.gz DKWSVWDQUQFTTR-QGZVFWFLSA-N 2 0 328.501 -0.363 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CCN1c1cc[nH+]cc1 ZINC000883638399 584603969 /nfs/dbraw/zinc/60/39/69/584603969.db2.gz LDQDSYDCFKYRKH-UONOGXRCSA-N 2 0 331.420 -0.061 20 0 EBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884286642 584620818 /nfs/dbraw/zinc/62/08/18/584620818.db2.gz IMTZTANKKUCROJ-CQSZACIVSA-N 2 0 347.419 -0.532 20 0 EBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1(C)C ZINC000884507922 584625066 /nfs/dbraw/zinc/62/50/66/584625066.db2.gz PSKGEGFFCLOQCJ-CYBMUJFWSA-N 2 0 325.457 -0.922 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000884516814 584625557 /nfs/dbraw/zinc/62/55/57/584625557.db2.gz VGOARODCKAFVDV-VNHYZAJKSA-N 2 0 338.452 -0.306 20 0 EBADRP CCC1([NH3+])CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000884560132 584627159 /nfs/dbraw/zinc/62/71/59/584627159.db2.gz OAQAHPQHRGINOE-KGLIPLIRSA-N 2 0 338.452 -0.304 20 0 EBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884598231 584628900 /nfs/dbraw/zinc/62/89/00/584628900.db2.gz WCXCTNCEQRPCEB-GJZGRUSLSA-N 2 0 338.452 -0.432 20 0 EBADRP [NH3+][C@H]1CCCCCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000884598353 584628925 /nfs/dbraw/zinc/62/89/25/584628925.db2.gz YXZJMBCOYRLVNX-HNNXBMFYSA-N 2 0 340.468 -0.055 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CCSC1 ZINC000884612649 584629919 /nfs/dbraw/zinc/62/99/19/584629919.db2.gz QOFLETHSAMIAEW-ZENOOKHLSA-N 2 0 340.493 -0.107 20 0 EBADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000884650201 584631788 /nfs/dbraw/zinc/63/17/88/584631788.db2.gz BLUQQBCDQJZUBH-CQSZACIVSA-N 2 0 340.468 -0.281 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884662361 584632426 /nfs/dbraw/zinc/63/24/26/584632426.db2.gz ODXAWWGXLBEKRJ-CYBMUJFWSA-N 2 0 328.457 -0.425 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)C[C@H]1C[NH+](C)C ZINC000884679013 584633739 /nfs/dbraw/zinc/63/37/39/584633739.db2.gz SBWODAGBCVDJTI-KFWWJZLASA-N 3 0 339.484 -0.962 20 0 EBADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000884692611 584634711 /nfs/dbraw/zinc/63/47/11/584634711.db2.gz KRXQRMAMNIECOL-HIFRSBDPSA-N 2 0 330.432 -0.041 20 0 EBADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000884707658 584635305 /nfs/dbraw/zinc/63/53/05/584635305.db2.gz UULBSVXGNDHFQY-DOMZBBRYSA-N 2 0 331.420 -0.028 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000884721479 584635708 /nfs/dbraw/zinc/63/57/08/584635708.db2.gz LRHAPJCMVMMISJ-UHFFFAOYSA-N 2 0 328.457 -0.282 20 0 EBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)NCC[NH2+]CCOC)CC1 ZINC000884721811 584635742 /nfs/dbraw/zinc/63/57/42/584635742.db2.gz UYZWZBWMPOQNQK-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000884812437 584638297 /nfs/dbraw/zinc/63/82/97/584638297.db2.gz PZQWRGVVTPSJNF-AWEZNQCLSA-N 2 0 349.435 -0.529 20 0 EBADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000884814965 584638601 /nfs/dbraw/zinc/63/86/01/584638601.db2.gz KAHKYBMMQAOTTA-OAHLLOKOSA-N 2 0 340.468 -0.185 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885012985 584642744 /nfs/dbraw/zinc/64/27/44/584642744.db2.gz WEQLKSDKOQSJBN-QDMKHBRRSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@@H]2c3ccccc3CN2C)CCO1 ZINC000885022076 584642754 /nfs/dbraw/zinc/64/27/54/584642754.db2.gz JJXMKYKKNOFQDW-APHBMKBZSA-N 2 0 346.431 -0.136 20 0 EBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885194981 584645581 /nfs/dbraw/zinc/64/55/81/584645581.db2.gz HENXQSXLONTHBV-UHFFFAOYSA-N 2 0 341.500 -0.286 20 0 EBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000885281051 584647114 /nfs/dbraw/zinc/64/71/14/584647114.db2.gz WCQFFMPMDYXOME-LBPRGKRZSA-N 2 0 332.395 -0.098 20 0 EBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000887088081 584676083 /nfs/dbraw/zinc/67/60/83/584676083.db2.gz OKQSAIPSSVYLKR-CYBMUJFWSA-N 2 0 326.441 -0.495 20 0 EBADRP COCC[N@H+](C)C[C@H](O)Cn1cc(CN2CCC[C@H]([NH3+])C2)nn1 ZINC000887451422 584678509 /nfs/dbraw/zinc/67/85/09/584678509.db2.gz MVCKSSKGFWNXHY-ZFWWWQNUSA-N 2 0 326.445 -0.860 20 0 EBADRP C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC000410937037 584702261 /nfs/dbraw/zinc/70/22/61/584702261.db2.gz JOHGJACCLJEMDR-ZDUSSCGKSA-N 2 0 328.457 -0.690 20 0 EBADRP C[NH+](C)[C@@H](CNC(=O)C[NH+]1C[C@@H](CO)[C@H](CO)C1)c1ccccc1 ZINC000625706798 650024106 /nfs/dbraw/zinc/02/41/06/650024106.db2.gz DCKAYZMNXKLWJE-ULQDDVLXSA-N 2 0 335.448 -0.062 20 0 EBADRP O=S1(=O)CCNC[C@H]1CC[NH2+]Cc1ccc(N2CC[NH2+]CC2)o1 ZINC000904388356 650049397 /nfs/dbraw/zinc/04/93/97/650049397.db2.gz HWFWFBYJSRDFIN-CQSZACIVSA-N 2 0 342.465 -0.445 20 0 EBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)C[C@]2(C)C1 ZINC000904965282 650053135 /nfs/dbraw/zinc/05/31/35/650053135.db2.gz BZLHSTZNRZVJSJ-BIAAXOCRSA-N 2 0 348.369 -0.256 20 0 EBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)C1 ZINC000904980475 650054208 /nfs/dbraw/zinc/05/42/08/650054208.db2.gz NQKNIPSNZSGIAA-AWEZNQCLSA-N 2 0 340.468 -0.058 20 0 EBADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000904990584 650055403 /nfs/dbraw/zinc/05/54/03/650055403.db2.gz PPJIFFXWMIRZFC-ZIAGYGMSSA-N 2 0 340.468 -0.513 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000904992421 650056240 /nfs/dbraw/zinc/05/62/40/650056240.db2.gz AOPDSOJEHIKVND-GRDNDAEWSA-N 2 0 338.452 -0.767 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000904995023 650056723 /nfs/dbraw/zinc/05/67/23/650056723.db2.gz NQPIEZLYLQTLSM-AWEZNQCLSA-N 2 0 342.484 -0.131 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000904997531 650058022 /nfs/dbraw/zinc/05/80/22/650058022.db2.gz TYIZECRJBQDFKX-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2COC)C1 ZINC000905023722 650061199 /nfs/dbraw/zinc/06/11/99/650061199.db2.gz UQWIQXBUZVZFAY-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000905025028 650061713 /nfs/dbraw/zinc/06/17/13/650061713.db2.gz YFGIAFDBGSQRDN-KKUMJFAQSA-N 2 0 338.452 -0.624 20 0 EBADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905110107 650061822 /nfs/dbraw/zinc/06/18/22/650061822.db2.gz HNHCORKYENQOMU-IKGGRYGDSA-N 2 0 329.485 -0.248 20 0 EBADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905110108 650061854 /nfs/dbraw/zinc/06/18/54/650061854.db2.gz HNHCORKYENQOMU-IXDOHACOSA-N 2 0 329.485 -0.248 20 0 EBADRP CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905340421 650062737 /nfs/dbraw/zinc/06/27/37/650062737.db2.gz VMGFJPMMGLDHQZ-UHFFFAOYSA-N 2 0 332.514 -0.115 20 0 EBADRP C[C@@H]1C[C@]2(CC[C@H](C[NH2+]C[C@H](O)CN3CC[NH+](C)CC3)O2)CO1 ZINC000905483786 650063775 /nfs/dbraw/zinc/06/37/75/650063775.db2.gz GGWZKFKXNJYBFG-YYIAUSFCSA-N 2 0 327.469 -0.089 20 0 EBADRP COC(=O)[C@H]1CN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC[N@H+](C)C1 ZINC000910414056 650111001 /nfs/dbraw/zinc/11/10/01/650111001.db2.gz YYZHCMYFFQJTPL-KGLIPLIRSA-N 2 0 325.409 -0.730 20 0 EBADRP CCN1CC[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000910595643 650115286 /nfs/dbraw/zinc/11/52/86/650115286.db2.gz AFGHAEUGAXJWLT-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000910951748 650141934 /nfs/dbraw/zinc/14/19/34/650141934.db2.gz DFVMRKXTNQGDNX-ZDUSSCGKSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CCCO1 ZINC000910985166 650143870 /nfs/dbraw/zinc/14/38/70/650143870.db2.gz SXXWIXZECBNYLO-KGLIPLIRSA-N 2 0 326.441 -0.447 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000910990923 650144092 /nfs/dbraw/zinc/14/40/92/650144092.db2.gz FVEZFPQAJFQQDJ-MGPQQGTHSA-N 2 0 326.441 -0.817 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)Cc1ccccc1 ZINC000911001072 650144709 /nfs/dbraw/zinc/14/47/09/650144709.db2.gz GAGNEVTXHFGEJW-GOSISDBHSA-N 2 0 348.447 -0.453 20 0 EBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC000911054837 650148067 /nfs/dbraw/zinc/14/80/67/650148067.db2.gz MCQPCNUHKOGENY-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1)C1CC1 ZINC000911052839 650148071 /nfs/dbraw/zinc/14/80/71/650148071.db2.gz ISGRXIQFSLBAJX-GHMZBOCLSA-N 2 0 336.358 -0.065 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H]1C(F)(F)F ZINC000911073561 650149114 /nfs/dbraw/zinc/14/91/14/650149114.db2.gz UZKUDQTYDLQPNU-FBIMIBRVSA-N 2 0 334.342 -0.313 20 0 EBADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCNCC[NH2+]CC1)C(C)(C)C ZINC000911076474 650149154 /nfs/dbraw/zinc/14/91/54/650149154.db2.gz HBXGRAAILSKOBS-CQSZACIVSA-N 2 0 341.500 -0.510 20 0 EBADRP CN(C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)C1(C[NH3+])CCOCC1 ZINC000911079744 650149500 /nfs/dbraw/zinc/14/95/00/650149500.db2.gz PEVSQFJCGUODGK-KGLIPLIRSA-N 2 0 340.468 -0.058 20 0 EBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000911080418 650149763 /nfs/dbraw/zinc/14/97/63/650149763.db2.gz RHQZFAQVHDGLKH-ZENOOKHLSA-N 2 0 326.441 -0.712 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000911100973 650150999 /nfs/dbraw/zinc/15/09/99/650150999.db2.gz IPHJDLOBMFGLIS-RRFJBIMHSA-N 2 0 337.468 -0.862 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000911098849 650151072 /nfs/dbraw/zinc/15/10/72/650151072.db2.gz HFZZQDGXPZVJBR-KGLIPLIRSA-N 2 0 339.484 -0.900 20 0 EBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC1(C)C ZINC000911097439 650151143 /nfs/dbraw/zinc/15/11/43/650151143.db2.gz QGKZWOFRDCNQJM-KGLIPLIRSA-N 2 0 339.484 -0.628 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000911099715 650151220 /nfs/dbraw/zinc/15/12/20/650151220.db2.gz APIGYVDRNSBFQF-CQSZACIVSA-N 2 0 339.484 -0.757 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000911100967 650151259 /nfs/dbraw/zinc/15/12/59/650151259.db2.gz IOIXREREQJMDFG-CZUORRHYSA-N 2 0 345.447 -0.114 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000911100689 650151289 /nfs/dbraw/zinc/15/12/89/650151289.db2.gz RQUOWUUDGJZDTN-ZDUSSCGKSA-N 2 0 325.457 -0.922 20 0 EBADRP C[C@H](NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])[C@@H]1CN(C)CCO1 ZINC000911161345 650155915 /nfs/dbraw/zinc/15/59/15/650155915.db2.gz IIEOTEWHRZGEBQ-BJKJVOPESA-N 2 0 346.431 -0.437 20 0 EBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)C1 ZINC000911162421 650155426 /nfs/dbraw/zinc/15/54/26/650155426.db2.gz RDWDWUUNQIEDFQ-AWEZNQCLSA-N 2 0 340.468 -0.199 20 0 EBADRP [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000911187341 650157851 /nfs/dbraw/zinc/15/78/51/650157851.db2.gz RYCOXCIBIHQCQB-YOEHRIQHSA-N 2 0 338.452 -0.445 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911195028 650158442 /nfs/dbraw/zinc/15/84/42/650158442.db2.gz SDSDCQHWVXWURO-OLZOCXBDSA-N 2 0 326.441 -0.672 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000911189201 650158510 /nfs/dbraw/zinc/15/85/10/650158510.db2.gz YJZMTRRFRGGSHC-CHWSQXEVSA-N 2 0 326.441 -0.591 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911196434 650159168 /nfs/dbraw/zinc/15/91/68/650159168.db2.gz XPWXMQNIEAEUPU-WMLDXEAASA-N 2 0 338.452 -0.432 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000911220257 650160897 /nfs/dbraw/zinc/16/08/97/650160897.db2.gz UMDGFIYAGFQTIU-ZFWWWQNUSA-N 2 0 338.452 -0.410 20 0 EBADRP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000911220951 650161058 /nfs/dbraw/zinc/16/10/58/650161058.db2.gz ZEZOHHMAEKHVPD-KRWDZBQOSA-N 2 0 338.452 -0.711 20 0 EBADRP O=C(NCCCn1ccnc1)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911246607 650162886 /nfs/dbraw/zinc/16/28/86/650162886.db2.gz JKWCMGSTJYSJPN-CQSZACIVSA-N 2 0 349.435 -0.336 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000911258592 650163898 /nfs/dbraw/zinc/16/38/98/650163898.db2.gz ROUIUQGRQNPORE-INIZCTEOSA-N 2 0 326.441 -0.575 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC000911259718 650164101 /nfs/dbraw/zinc/16/41/01/650164101.db2.gz ZPMYVEJSOPWTFZ-BBRMVZONSA-N 2 0 326.441 -0.589 20 0 EBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCNCC[NH2+]CC1)c1ccccc1 ZINC000911268356 650164580 /nfs/dbraw/zinc/16/45/80/650164580.db2.gz PGTZFKREYDEDMH-INIZCTEOSA-N 2 0 347.463 -0.573 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C)C[NH+]1CCN(C)CC1 ZINC000911270502 650164888 /nfs/dbraw/zinc/16/48/88/650164888.db2.gz XXQPYQAZAJRULK-KBPBESRZSA-N 2 0 339.484 -0.900 20 0 EBADRP CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911282884 650166368 /nfs/dbraw/zinc/16/63/68/650166368.db2.gz DKCNAODVNBSCHQ-CABCVRRESA-N 2 0 340.468 -0.452 20 0 EBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000911312396 650170282 /nfs/dbraw/zinc/17/02/82/650170282.db2.gz WYQCICZRRFVJTF-CYBMUJFWSA-N 2 0 328.457 -0.473 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000911325736 650171667 /nfs/dbraw/zinc/17/16/67/650171667.db2.gz WPKBDRJBFVHYKC-KKUMJFAQSA-N 2 0 338.452 -0.434 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000911330316 650171675 /nfs/dbraw/zinc/17/16/75/650171675.db2.gz JRDXQMJOHJTCNM-GJZGRUSLSA-N 2 0 340.468 -0.330 20 0 EBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2CCOC)C1 ZINC000911337352 650172332 /nfs/dbraw/zinc/17/23/32/650172332.db2.gz RQBJGJXZBZBPQC-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)C[NH+](C)C ZINC000911357331 650174460 /nfs/dbraw/zinc/17/44/60/650174460.db2.gz PMYIYOZATVVRHD-KBPBESRZSA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000911370414 650176025 /nfs/dbraw/zinc/17/60/25/650176025.db2.gz ZFOWSLZTKICZHT-YIYPIFLZSA-N 2 0 326.441 -0.674 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3C[NH2+]C[C@H]3C)CC2)c1 ZINC000911370340 650176304 /nfs/dbraw/zinc/17/63/04/650176304.db2.gz XIQRGAITGXDTPO-TZMCWYRMSA-N 2 0 347.419 -0.537 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2)C[NH+](C)C ZINC000911433073 650183046 /nfs/dbraw/zinc/18/30/46/650183046.db2.gz BEXMSIIKARCJPW-CKEIUWERSA-N 2 0 340.468 -0.282 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1)C[NH+](C)C ZINC000911433615 650183050 /nfs/dbraw/zinc/18/30/50/650183050.db2.gz BKXZSFYAQUPKTA-UONOGXRCSA-N 2 0 328.457 -0.473 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C[NH+](C)C ZINC000911433019 650183150 /nfs/dbraw/zinc/18/31/50/650183150.db2.gz ATEDWZGUIFJAFE-RRQGHBQHSA-N 2 0 340.468 -0.473 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)C[NH+](C)C ZINC000911435309 650183465 /nfs/dbraw/zinc/18/34/65/650183465.db2.gz LFENPIBKTUDEOR-MELADBBJSA-N 2 0 328.457 -0.345 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)C[NH+](C)C ZINC000911435839 650183942 /nfs/dbraw/zinc/18/39/42/650183942.db2.gz PZMINJYDZPSVDS-ZIAGYGMSSA-N 2 0 328.457 -0.343 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C(C)C)C[NH+](C)C ZINC000911437185 650184376 /nfs/dbraw/zinc/18/43/76/650184376.db2.gz ZMUZTAWJCJMPRG-KBPBESRZSA-N 2 0 328.457 -0.474 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)C[NH+](C)C ZINC000911437184 650184387 /nfs/dbraw/zinc/18/43/87/650184387.db2.gz ZMIUGMZXSFWNMR-MGPQQGTHSA-N 2 0 328.457 -0.487 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911556503 650193462 /nfs/dbraw/zinc/19/34/62/650193462.db2.gz KVVLADQFLDYGIT-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911557250 650193711 /nfs/dbraw/zinc/19/37/11/650193711.db2.gz NGLOBBSSYIZRIN-IHRRRGAJSA-N 2 0 338.452 -0.448 20 0 EBADRP C[N@@H+]1CCC[C@](O)(CC(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000912715605 650211379 /nfs/dbraw/zinc/21/13/79/650211379.db2.gz ZWLOPGMCOFTVOV-RDJZCZTQSA-N 2 0 325.453 -0.109 20 0 EBADRP C[NH+](C)CCn1nccc1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000912992265 650216808 /nfs/dbraw/zinc/21/68/08/650216808.db2.gz GWWHJDWJMJHZFO-ZDUSSCGKSA-N 2 0 336.440 -0.486 20 0 EBADRP C[NH+]1CC[C@H](CC(=O)N[C@@H](CO)CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000913919073 650248870 /nfs/dbraw/zinc/24/88/70/650248870.db2.gz AVFXNPVQHGSIFX-RBSFLKMASA-N 2 0 340.468 -0.737 20 0 EBADRP C[NH+](CC(=O)N[C@@H](CO)CNC(=O)C[N@@H+](C)C1CCC1)C1CCC1 ZINC000913919277 650249026 /nfs/dbraw/zinc/24/90/26/650249026.db2.gz IGMQBGMQTUDBEZ-CYBMUJFWSA-N 2 0 340.468 -0.452 20 0 EBADRP C[NH+](C)C1(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000919073247 650294811 /nfs/dbraw/zinc/29/48/11/650294811.db2.gz VMGIQTUZAMFDFI-HNNXBMFYSA-N 2 0 339.484 -0.214 20 0 EBADRP C[C@@H]1[C@H](NC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000919071526 650294923 /nfs/dbraw/zinc/29/49/23/650294923.db2.gz KZYRSUBYDBUFPW-OWCLPIDISA-N 2 0 339.484 -0.215 20 0 EBADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000923343682 650338101 /nfs/dbraw/zinc/33/81/01/650338101.db2.gz FGMXXYPXFOXSTE-HRCADAONSA-N 2 0 343.468 -0.138 20 0 EBADRP O=S1(=O)CCCN1[C@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923371872 650338452 /nfs/dbraw/zinc/33/84/52/650338452.db2.gz AUTQMPLDLDWXCO-KBPBESRZSA-N 2 0 329.466 -0.135 20 0 EBADRP F[C@@H]1C[NH2+][C@H](CN2CC[NH2+]CCN(C[C@@H]3C[C@H](F)C[NH2+]3)CC2)C1 ZINC000923396031 650339017 /nfs/dbraw/zinc/33/90/17/650339017.db2.gz YHVGRFJPAGTNFE-VGWMRTNUSA-N 3 0 331.455 -0.406 20 0 EBADRP COCC[N@H+](C)C[C@H](O)CN1C[C@H]2CC[C@@H](C1)[NH+]2C1CC[NH2+]CC1 ZINC000923430316 650339649 /nfs/dbraw/zinc/33/96/49/650339649.db2.gz FCHPVFRVQICKFE-KSZLIROESA-N 3 0 340.512 -0.174 20 0 EBADRP CS(=O)(=O)c1ccc(OCCN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923460617 650341115 /nfs/dbraw/zinc/34/11/15/650341115.db2.gz IRZORBIOAKLQMW-UHFFFAOYSA-N 2 0 327.450 -0.036 20 0 EBADRP CC(=O)Nc1ccc(OC[C@@H](O)CN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923459753 650341267 /nfs/dbraw/zinc/34/12/67/650341267.db2.gz FLCMLYXTYPVRCC-INIZCTEOSA-N 2 0 336.436 -0.121 20 0 EBADRP C[NH+](C)[C@H](CNS(=O)(=O)N1CC[NH2+]CC1)Cc1ccccc1 ZINC000923579719 650344311 /nfs/dbraw/zinc/34/43/11/650344311.db2.gz WDRVWXMGLGTZRQ-HNNXBMFYSA-N 2 0 326.466 -0.101 20 0 EBADRP C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000923613418 650347171 /nfs/dbraw/zinc/34/71/71/650347171.db2.gz JWXDTORCHKHCMC-GJZGRUSLSA-N 2 0 330.498 -0.220 20 0 EBADRP [NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)C[C@H]1C[NH2+]CCO1)CC2 ZINC000923687780 650353106 /nfs/dbraw/zinc/35/31/06/650353106.db2.gz LIJZVCRTZWRNRM-QWHCGFSZSA-N 2 0 333.454 -0.866 20 0 EBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000925168035 650373958 /nfs/dbraw/zinc/37/39/58/650373958.db2.gz GGATWFMWAHLTDZ-IHRRRGAJSA-N 2 0 328.482 -0.068 20 0 EBADRP C[N@@H+]1C[C@@H](O)C[C@H]1CNC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000924987162 650370968 /nfs/dbraw/zinc/37/09/68/650370968.db2.gz LZLYMQCBVYEKNZ-KBPBESRZSA-N 2 0 333.436 -0.372 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C[C@@H]1C ZINC000926342513 650387614 /nfs/dbraw/zinc/38/76/14/650387614.db2.gz AGBGJJWGNMJWHP-GRDNDAEWSA-N 2 0 340.468 -0.370 20 0 EBADRP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000926308437 650385685 /nfs/dbraw/zinc/38/56/85/650385685.db2.gz GHTLDZSRGMTIEL-WMLDXEAASA-N 2 0 338.452 -0.615 20 0 EBADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000926322684 650386045 /nfs/dbraw/zinc/38/60/45/650386045.db2.gz HJUXSOYIOIPVEY-UHFFFAOYSA-N 2 0 339.484 -0.659 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC[C@H]1C[NH3+] ZINC000926329686 650386095 /nfs/dbraw/zinc/38/60/95/650386095.db2.gz GZWAAQFZOAPMMJ-CABCVRRESA-N 3 0 341.500 -0.619 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926331906 650386545 /nfs/dbraw/zinc/38/65/45/650386545.db2.gz URSOVEMNQNULAU-CQSZACIVSA-N 3 0 327.473 -0.865 20 0 EBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000926374555 650389736 /nfs/dbraw/zinc/38/97/36/650389736.db2.gz BWGPWRZTCMLXJI-MRXNPFEDSA-N 2 0 326.441 -0.712 20 0 EBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926412134 650391808 /nfs/dbraw/zinc/39/18/08/650391808.db2.gz AHECHMKHMDABHH-HNNXBMFYSA-N 2 0 341.500 -0.474 20 0 EBADRP C[NH+]1CCC(O)(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000927642737 651505649 /nfs/dbraw/zinc/50/56/49/651505649.db2.gz QLGUNYUQSBKLMN-HNNXBMFYSA-N 2 0 340.468 -0.004 20 0 EBADRP O[C@@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)C[C@]1(O)CCOC1 ZINC000929282775 651540850 /nfs/dbraw/zinc/54/08/50/651540850.db2.gz DKNXLRAAGZAOGZ-IAGOWNOFSA-N 2 0 328.453 -0.067 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1)C[NH+](C)C ZINC000929399892 651545880 /nfs/dbraw/zinc/54/58/80/651545880.db2.gz WURXCMOWFWLZOM-LSDHHAIUSA-N 2 0 342.484 -0.083 20 0 EBADRP C[C@H](CNC(=O)CN1C[C@H](O)C(C)(C)C1)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000930269694 651591243 /nfs/dbraw/zinc/59/12/43/651591243.db2.gz ITQNVGGXEPAXEL-HZSPNIEDSA-N 2 0 327.469 -0.104 20 0 EBADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H](O)C2(O)CCOCC2)CC1 ZINC000930663882 651607288 /nfs/dbraw/zinc/60/72/88/651607288.db2.gz RAFSROLJPOVIBG-HNNXBMFYSA-N 2 0 329.485 -0.106 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC000932033928 651661134 /nfs/dbraw/zinc/66/11/34/651661134.db2.gz ICEIYEZMHRFPPL-CQSZACIVSA-N 2 0 334.486 -0.590 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N(C)CC[NH+]1CCCC1)C[NH+](C)C ZINC000932466399 651681123 /nfs/dbraw/zinc/68/11/23/651681123.db2.gz AHEVNXKIUMCQSQ-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)C[NH+](C)C ZINC000932468372 651681880 /nfs/dbraw/zinc/68/18/80/651681880.db2.gz NIJNDZXJTRGSAP-QLFBSQMISA-N 2 0 340.468 -0.236 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)C[NH+](C)C ZINC000932470993 651682791 /nfs/dbraw/zinc/68/27/91/651682791.db2.gz CYGBUEWZJAVTFD-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000932955198 651703533 /nfs/dbraw/zinc/70/35/33/651703533.db2.gz QSQOMPNSWZRRNE-AWEZNQCLSA-N 2 0 326.441 -0.624 20 0 EBADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)CC1 ZINC000933704542 651726202 /nfs/dbraw/zinc/72/62/02/651726202.db2.gz YRZFFXYGYRGUCA-OLZOCXBDSA-N 2 0 346.497 -0.557 20 0 EBADRP CO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000941377136 652702401 /nfs/dbraw/zinc/70/24/01/652702401.db2.gz JEYWMMAMRQUAHE-RBSFLKMASA-N 2 0 338.452 -0.482 20 0 EBADRP C[C@H](O)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCn4cncc4C3)CC2)C1 ZINC000941462808 652751844 /nfs/dbraw/zinc/75/18/44/652751844.db2.gz GKTKRWDXRYXLSD-GJZGRUSLSA-N 2 0 347.463 -0.345 20 0 EBADRP C[C@@H](O)C[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC000941534044 652790330 /nfs/dbraw/zinc/79/03/30/652790330.db2.gz KDSNPORNVJYAES-XHSDSOJGSA-N 2 0 338.496 -0.074 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC(O)(C[NH2+][C@H]3CCNC3=O)CC2)C1 ZINC000946927385 653273505 /nfs/dbraw/zinc/27/35/05/653273505.db2.gz HSDVGPXRPGLSDQ-KGLIPLIRSA-N 2 0 338.452 -0.840 20 0 EBADRP O=C(NC1CC2(C1)CC([NH2+][C@@H]1CCNC1=O)C2)C12CC[NH+](CC1)C2 ZINC000965850087 724532221 /nfs/dbraw/zinc/53/22/21/724532221.db2.gz KIZBJABUFNLFNL-OPFKTAGGSA-N 2 0 332.448 -0.012 20 0 EBADRP CC[N@H+](CCC(=O)NC)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000933869123 719442311 /nfs/dbraw/zinc/44/23/11/719442311.db2.gz NDIBISZGIGAQFK-HNNXBMFYSA-N 2 0 342.484 -0.083 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000955352823 720139588 /nfs/dbraw/zinc/13/95/88/720139588.db2.gz YKKRAVIXTLDKNT-ZFWWWQNUSA-N 2 0 334.464 -0.051 20 0 EBADRP Cn1cc(CC[N@@H+]2C[C@@H](O)[C@@H](CNC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC000958373213 722353850 /nfs/dbraw/zinc/35/38/50/722353850.db2.gz DGGUDFSANVSYHR-DLBZAZTESA-N 2 0 349.479 -0.287 20 0 EBADRP Cn1cc(CC[N@H+]2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@H](O)C2)cn1 ZINC000958373214 722353884 /nfs/dbraw/zinc/35/38/84/722353884.db2.gz DGGUDFSANVSYHR-IAGOWNOFSA-N 2 0 349.479 -0.287 20 0 EBADRP Cn1cc(C[N@H+]2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@H](O)C2)cn1 ZINC000958374000 722354138 /nfs/dbraw/zinc/35/41/38/722354138.db2.gz KLMDZTUPFLLNOZ-HZPDHXFCSA-N 2 0 335.452 -0.329 20 0 EBADRP Cn1cc(C[N@@H+]2C[C@H](O)[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC000958592562 722397569 /nfs/dbraw/zinc/39/75/69/722397569.db2.gz RTXPJWJMQILAER-CABCVRRESA-N 2 0 333.436 -0.575 20 0 EBADRP CN(C(=O)C[NH+]1CCCC1)[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000958851682 722619571 /nfs/dbraw/zinc/61/95/71/722619571.db2.gz CTUQBRTWIJCKBI-KKUMJFAQSA-N 2 0 338.452 -0.936 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)C1CC1 ZINC001018966524 728757782 /nfs/dbraw/zinc/75/77/82/728757782.db2.gz LMLZTGCHKFBVGR-JSGCOSHPSA-N 2 0 337.424 -0.931 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)C1CC1 ZINC001018967644 728758357 /nfs/dbraw/zinc/75/83/57/728758357.db2.gz HNJAPDDPWZXOEN-BBRMVZONSA-N 2 0 336.436 -0.334 20 0 EBADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2Cc3ccccc3[C@H]2NCC(N)=O)O1 ZINC000960279623 722813538 /nfs/dbraw/zinc/81/35/38/722813538.db2.gz VXFBULAEISOORL-BNGXUDDSSA-N 2 0 346.431 -0.437 20 0 EBADRP Cn1[nH]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCC[N@@H+]2C)nc1=O ZINC000960582177 722841473 /nfs/dbraw/zinc/84/14/73/722841473.db2.gz TTXDJRRVNZRISI-CZXHOFHRSA-N 2 0 334.424 -0.861 20 0 EBADRP C[NH+]1CC[C@H](C(=O)N2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C3)C2)C1 ZINC001019037769 728778035 /nfs/dbraw/zinc/77/80/35/728778035.db2.gz AYSJPFUWTGLCRL-LSDHHAIUSA-N 2 0 334.464 -0.049 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001019044191 728780758 /nfs/dbraw/zinc/78/07/58/728780758.db2.gz PYQCJGODEOQDSX-STQMWFEESA-N 2 0 337.424 -0.787 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CCN4C(=O)CCC4=O)C[C@H]32)CC1 ZINC000961665942 723054875 /nfs/dbraw/zinc/05/48/75/723054875.db2.gz VOHYEUZBPSXYSK-HALDLXJZSA-N 2 0 348.447 -0.476 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]Cc3nnnn3C)C2)CC[N@@H+]1C ZINC000961857919 723101362 /nfs/dbraw/zinc/10/13/62/723101362.db2.gz YUVXBEQFMDHSFZ-CLRIEMFWSA-N 2 0 335.456 -0.075 20 0 EBADRP Cn1cncc1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC000962292872 723218983 /nfs/dbraw/zinc/21/89/83/723218983.db2.gz KCKCLLZBKCOOOD-LAQFHYBYSA-N 2 0 345.403 -0.842 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000962293349 723219028 /nfs/dbraw/zinc/21/90/28/723219028.db2.gz AGHLBVLZKONDME-WCVJEAGWSA-N 2 0 345.447 -0.614 20 0 EBADRP CN1CCC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C23CC[NH+](CC2)C3)C1=O ZINC000962293379 723219048 /nfs/dbraw/zinc/21/90/48/723219048.db2.gz AUBLRKIGSQNHTN-LJISPDSOSA-N 2 0 332.448 -0.251 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963498588 723435119 /nfs/dbraw/zinc/43/51/19/723435119.db2.gz LIPRNHCKDZGHJL-ILXRZTDVSA-N 2 0 338.452 -0.746 20 0 EBADRP NC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000964415464 724006196 /nfs/dbraw/zinc/00/61/96/724006196.db2.gz HJGXPMRTRFTRGY-GDIZOVHDSA-N 2 0 348.447 -0.648 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1nnnn1C)C2 ZINC000965061411 724110823 /nfs/dbraw/zinc/11/08/23/724110823.db2.gz CFUWOAFLBSRXDK-WXQWYESMSA-N 2 0 347.467 -0.075 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)[NH+](C)C ZINC001019394869 728878482 /nfs/dbraw/zinc/87/84/82/728878482.db2.gz PBOYCCSNUMTIBW-RDBSUJKOSA-N 2 0 331.482 -0.048 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1)[NH+](C)C ZINC001019394881 728878696 /nfs/dbraw/zinc/87/86/96/728878696.db2.gz PILBDGXWYRHLMY-ILXRZTDVSA-N 2 0 340.468 -0.236 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)C1CC1 ZINC000968912581 725128358 /nfs/dbraw/zinc/12/83/58/725128358.db2.gz LMLZTGCHKFBVGR-TZMCWYRMSA-N 2 0 337.424 -0.931 20 0 EBADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1)C(N)=O ZINC001019576323 728926299 /nfs/dbraw/zinc/92/62/99/728926299.db2.gz PWANOPRFCUXUQM-GXTWGEPZSA-N 2 0 326.441 -0.448 20 0 EBADRP CCN1CCO[C@@H](C(=O)NC[C@H]2CCCCCN2CC(=O)NC)C1 ZINC000969153398 725156940 /nfs/dbraw/zinc/15/69/40/725156940.db2.gz GUYUMRDEVUSAPO-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1)C(N)=O ZINC000969301705 725169220 /nfs/dbraw/zinc/16/92/20/725169220.db2.gz UGXZVWPCCLYPKE-VXGBXAGGSA-N 2 0 328.376 -0.055 20 0 EBADRP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC000969353833 725173131 /nfs/dbraw/zinc/17/31/31/725173131.db2.gz WVPALLIPRBKURV-TZMCWYRMSA-N 2 0 341.371 -0.056 20 0 EBADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCN2C(=O)CCC2=O)C1 ZINC000970877674 725336739 /nfs/dbraw/zinc/33/67/39/725336739.db2.gz IDECVONCNCEVKO-QWHCGFSZSA-N 2 0 336.436 -0.476 20 0 EBADRP C[NH+](C)C1(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCCNC3=O)C2)CCC1 ZINC001051651370 735292559 /nfs/dbraw/zinc/29/25/59/735292559.db2.gz KWSFOCXGOTVSDO-UONOGXRCSA-N 2 0 338.452 -0.434 20 0 EBADRP C[N@H+](CC(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1)C1CCC1 ZINC001051654319 735295494 /nfs/dbraw/zinc/29/54/94/735295494.db2.gz LEHLFLFAKIVIOG-LSDHHAIUSA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000972522777 725540524 /nfs/dbraw/zinc/54/05/24/725540524.db2.gz OXKZDKRKNFGACJ-TZMCWYRMSA-N 2 0 336.440 -0.535 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC000991714480 725566541 /nfs/dbraw/zinc/56/65/41/725566541.db2.gz YKQQFPHUDJHXHA-WFGSVCOBSA-N 2 0 348.447 -0.872 20 0 EBADRP C[N@H+](CCN1CCNC1=O)[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000972733045 725588343 /nfs/dbraw/zinc/58/83/43/725588343.db2.gz OKOABTIPOQJAQI-HUUCEWRRSA-N 2 0 337.468 -0.114 20 0 EBADRP O=C(C[NH+]1CCCC1)NC1CN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000991751704 725603876 /nfs/dbraw/zinc/60/38/76/725603876.db2.gz JZMUIAUATLYYJD-LSDHHAIUSA-N 2 0 336.436 -0.728 20 0 EBADRP O=C(N[C@]12CCC[C@H]1[N@H+](CCO)CC2)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000991935389 725679659 /nfs/dbraw/zinc/67/96/59/725679659.db2.gz QYKBYCHDSIPVIP-MVKZVMCQSA-N 2 0 335.448 -0.045 20 0 EBADRP CN1CCO[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000973998805 725844485 /nfs/dbraw/zinc/84/44/85/725844485.db2.gz KIYJKFGNPODPOC-MJBXVCDLSA-N 2 0 336.436 -0.824 20 0 EBADRP O=C(Cc1cnc[nH]1)N1CC(NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000993573631 725907704 /nfs/dbraw/zinc/90/77/04/725907704.db2.gz ZPSBKSSEXUZZRY-UONOGXRCSA-N 2 0 333.392 -0.858 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995168546 726180042 /nfs/dbraw/zinc/18/00/42/726180042.db2.gz ORLQVLSYDPSTGG-CHWSQXEVSA-N 2 0 333.440 -0.320 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000976558454 726349520 /nfs/dbraw/zinc/34/95/20/726349520.db2.gz LQAMMXMDZWWUQQ-DMRKSPOLSA-N 2 0 346.475 -0.147 20 0 EBADRP Cn1ccnc1CCC(=O)N1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000996468885 726401342 /nfs/dbraw/zinc/40/13/42/726401342.db2.gz ICCPMTXYKFXPBW-UHFFFAOYSA-N 2 0 331.420 -0.225 20 0 EBADRP C[C@@H]([NH2+]C1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1)C(N)=O ZINC000996580091 726419049 /nfs/dbraw/zinc/41/90/49/726419049.db2.gz HYIWRBVCAPIYQG-GFCCVEGCSA-N 2 0 336.440 -0.487 20 0 EBADRP Cn1ncc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)n1 ZINC000996619796 726420324 /nfs/dbraw/zinc/42/03/24/726420324.db2.gz LAJGHZALAFKIND-HZPDHXFCSA-N 2 0 348.451 -0.241 20 0 EBADRP O=C([C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC([NH2+]CCn2cncn2)CC1 ZINC000996621208 726420392 /nfs/dbraw/zinc/42/03/92/726420392.db2.gz QHVAXQYLNCYCNB-JKSUJKDBSA-N 2 0 348.451 -0.278 20 0 EBADRP Cn1nnnc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000996622622 726420434 /nfs/dbraw/zinc/42/04/34/726420434.db2.gz SJMLOPMUWFLFPJ-ZIAGYGMSSA-N 2 0 349.439 -0.846 20 0 EBADRP C[C@H]([NH2+]C1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1)C(N)=O ZINC000996715853 726423554 /nfs/dbraw/zinc/42/35/54/726423554.db2.gz RIRJAUAUMHWWLW-ZDUSSCGKSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC([NH2+][C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC000996996853 726434431 /nfs/dbraw/zinc/43/44/31/726434431.db2.gz ADODNVUPVILVJP-TZMCWYRMSA-N 2 0 336.436 -0.286 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC([NH2+][C@H]3CCC(=O)NC3=O)CC2)C1 ZINC000996996849 726434454 /nfs/dbraw/zinc/43/44/54/726434454.db2.gz ADODNVUPVILVJP-OCCSQVGLSA-N 2 0 336.436 -0.286 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC000997010554 726434768 /nfs/dbraw/zinc/43/47/68/726434768.db2.gz SGTVCAXAQZMNEN-DGCLKSJQSA-N 2 0 336.440 -0.613 20 0 EBADRP O=C(N1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1)C12CC[NH+](CC1)C2 ZINC000997191728 726440579 /nfs/dbraw/zinc/44/05/79/726440579.db2.gz GBBNFMYQTUIMHQ-CYBMUJFWSA-N 2 0 334.420 -0.532 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC([NH2+][C@@H](C)C(N)=O)CC1 ZINC000997313005 726445935 /nfs/dbraw/zinc/44/59/35/726445935.db2.gz MEFXJNBXXUKFFB-STQMWFEESA-N 2 0 326.441 -0.591 20 0 EBADRP NC(=O)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C(F)(F)F ZINC000998318680 726484621 /nfs/dbraw/zinc/48/46/21/726484621.db2.gz XDZLQFLZVVCDSF-MNOVXSKESA-N 2 0 336.358 -0.064 20 0 EBADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2nnc3n2CCOC3)C1 ZINC000998548431 726490487 /nfs/dbraw/zinc/49/04/87/726490487.db2.gz IHERKNJSOBYASX-JXQTWKCFSA-N 2 0 348.451 -0.019 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1)[NH+](C)C ZINC000999488895 726520710 /nfs/dbraw/zinc/52/07/10/726520710.db2.gz HHWONGVGAZKTCJ-ZIAGYGMSSA-N 2 0 325.457 -0.068 20 0 EBADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000999681333 726527377 /nfs/dbraw/zinc/52/73/77/726527377.db2.gz DTSNKVGOADLKBX-HIFPTAJRSA-N 2 0 336.440 -0.471 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CCC[C@H]([NH2+][C@@H]3CCNC3=O)C2)cn1 ZINC001000429369 726566806 /nfs/dbraw/zinc/56/68/06/726566806.db2.gz CEQXQJYQUZMNKL-LSDHHAIUSA-N 2 0 348.451 -0.473 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001001994198 726629251 /nfs/dbraw/zinc/62/92/51/726629251.db2.gz KRTPOBJMIZAJRQ-CVEARBPZSA-N 2 0 334.464 -0.146 20 0 EBADRP O=C(NCC1CC[NH+](CCN2CCNC2=O)CC1)C12CC[NH+](CC1)C2 ZINC001002042169 726630609 /nfs/dbraw/zinc/63/06/09/726630609.db2.gz BUXGFZPOHHMBEG-UHFFFAOYSA-N 2 0 349.479 -0.064 20 0 EBADRP O=C(NCC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1)C12CC[NH+](CC1)C2 ZINC001002043531 726630739 /nfs/dbraw/zinc/63/07/39/726630739.db2.gz QWZPROIMPSYHGM-AWEZNQCLSA-N 2 0 348.447 -0.284 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC(CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001002083316 726631971 /nfs/dbraw/zinc/63/19/71/726631971.db2.gz JIZONRFWQKGXRC-HOTGVXAUSA-N 2 0 334.464 -0.146 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC(CNC(=O)[C@H]3CCc4nccn4C3)C2)C1 ZINC001002776772 726647509 /nfs/dbraw/zinc/64/75/09/726647509.db2.gz KTCHPNCLHCHRAE-LSDHHAIUSA-N 2 0 345.447 -0.028 20 0 EBADRP O=C(NC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1)C12CC[NH+](CC1)C2 ZINC001003974835 726696552 /nfs/dbraw/zinc/69/65/52/726696552.db2.gz MSKOYJTXVLLPJL-CYBMUJFWSA-N 2 0 334.420 -0.532 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](CCN3C(=O)CCC3=O)CC2)C1 ZINC001004149513 726701596 /nfs/dbraw/zinc/70/15/96/726701596.db2.gz KIRDRXHARPICCM-CYBMUJFWSA-N 2 0 336.436 -0.332 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001004451761 726707593 /nfs/dbraw/zinc/70/75/93/726707593.db2.gz CJQMYCFICYIMFW-HIFRSBDPSA-N 2 0 334.464 -0.146 20 0 EBADRP CN(C(=O)C12CC[NH+](CC1)C2)C1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001006297721 726762160 /nfs/dbraw/zinc/76/21/60/726762160.db2.gz GIPRXDKLZCMPNH-CQSZACIVSA-N 2 0 348.447 -0.190 20 0 EBADRP O=C(N[C@H]1CCC[N@H+](CCN2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001009226478 726874627 /nfs/dbraw/zinc/87/46/27/726874627.db2.gz QWZRIDJORLMEOG-AWEZNQCLSA-N 2 0 335.452 -0.312 20 0 EBADRP Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001051902123 735454590 /nfs/dbraw/zinc/45/45/90/735454590.db2.gz VLIVQEPVDXPGGF-DZGCQCFKSA-N 2 0 336.440 -0.526 20 0 EBADRP Cn1ccnc1C[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001051904088 735455802 /nfs/dbraw/zinc/45/58/02/735455802.db2.gz ABQOTRQNOODAPU-AWEZNQCLSA-N 2 0 333.436 -0.167 20 0 EBADRP Cn1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CCO2)cc1=O ZINC001051930018 735468673 /nfs/dbraw/zinc/46/86/73/735468673.db2.gz GWIDOHJTARZLOH-HZPDHXFCSA-N 2 0 348.447 -0.346 20 0 EBADRP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CCO2)nn1 ZINC001051932136 735470010 /nfs/dbraw/zinc/47/00/10/735470010.db2.gz LMUILGMMYSPSPX-DZGCQCFKSA-N 2 0 349.435 -0.246 20 0 EBADRP COc1ccc(C[NH2+]C[C@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)nn1 ZINC001051934775 735472489 /nfs/dbraw/zinc/47/24/89/735472489.db2.gz QLDNNPGKZNGSJB-HNNXBMFYSA-N 2 0 349.435 -0.102 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001014509162 727964326 /nfs/dbraw/zinc/96/43/26/727964326.db2.gz PZYNMSGAWXHYFU-QLFBSQMISA-N 2 0 337.468 -0.068 20 0 EBADRP O=C(N[C@@H]1CC[N@H+](CCn2cncn2)C1)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001015325589 728399283 /nfs/dbraw/zinc/39/92/83/728399283.db2.gz URHCINYDKKCDON-GYMHETDLSA-N 2 0 346.435 -0.668 20 0 EBADRP O=C(N[C@@H]1CC[N@H+](CCn2cccn2)C1)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001015326303 728399710 /nfs/dbraw/zinc/39/97/10/728399710.db2.gz YOOYMWMJMAXQFB-GARNVTTQSA-N 2 0 345.447 -0.063 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCCN3C(=O)CNC3=O)C2)C1 ZINC001016248647 728445833 /nfs/dbraw/zinc/44/58/33/728445833.db2.gz CLDMLXBJKBTJCS-OLZOCXBDSA-N 2 0 337.424 -0.930 20 0 EBADRP O=C(N[C@@H]1CC12CC[NH+]([C@@H]1CCNC1=O)CC2)C12CC[NH+](CC1)C2 ZINC001016929658 728527005 /nfs/dbraw/zinc/52/70/05/728527005.db2.gz CHCWRCAEUSOCQE-ZIAGYGMSSA-N 2 0 332.448 -0.059 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](N3CC[NH+](CCCO)CC3)C2)C1 ZINC001052084283 735538638 /nfs/dbraw/zinc/53/86/38/735538638.db2.gz UPLCBFYCKGEQPL-IRXDYDNUSA-N 2 0 338.496 -0.071 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001019664934 728969556 /nfs/dbraw/zinc/96/95/56/728969556.db2.gz UYHCYVRQXIGQCF-ZDUSSCGKSA-N 2 0 346.435 -0.023 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001020143664 729083332 /nfs/dbraw/zinc/08/33/32/729083332.db2.gz ACHYYIFMTMDHMI-AAVRWANBSA-N 2 0 336.436 -0.099 20 0 EBADRP O=C(N[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001020161960 729088784 /nfs/dbraw/zinc/08/87/84/729088784.db2.gz VDUWEQRZIHVRGX-AAVRWANBSA-N 2 0 334.420 -0.630 20 0 EBADRP Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)nn1 ZINC001020178657 729092653 /nfs/dbraw/zinc/09/26/53/729092653.db2.gz AOQGJODZBMLUEW-QHSBEEBCSA-N 2 0 334.424 -0.585 20 0 EBADRP O=C(N[C@H]1C[C@H]([NH2+]CCn2cccn2)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001020178678 729092718 /nfs/dbraw/zinc/09/27/18/729092718.db2.gz AYIUDVDCPDKZQY-VGWMRTNUSA-N 2 0 333.436 -0.017 20 0 EBADRP Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001020178785 729092777 /nfs/dbraw/zinc/09/27/77/729092777.db2.gz FBRUKEAYNYDCOO-XUXIUFHCSA-N 2 0 334.424 -0.585 20 0 EBADRP Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001020406045 729159975 /nfs/dbraw/zinc/15/99/75/729159975.db2.gz JGVYSWKBHWBMGT-GUKIMBLNSA-N 2 0 346.435 -0.585 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC[N@@H+]1C ZINC001020509531 729189297 /nfs/dbraw/zinc/18/92/97/729189297.db2.gz XJSILVWUNGFNMD-HTVCTNPSSA-N 2 0 336.436 -0.241 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001020542174 729198552 /nfs/dbraw/zinc/19/85/52/729198552.db2.gz YKVGSYOHDLJPEO-QEJZJMRPSA-N 2 0 343.493 0.000 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001020586682 729204709 /nfs/dbraw/zinc/20/47/09/729204709.db2.gz VVVBKWTZNINKHH-MGPQQGTHSA-N 2 0 336.436 -0.144 20 0 EBADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001020603621 729209112 /nfs/dbraw/zinc/20/91/12/729209112.db2.gz JKQMMOUPIYZIMS-KSTCHIGDSA-N 2 0 331.420 -0.009 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001021047643 729274996 /nfs/dbraw/zinc/27/49/96/729274996.db2.gz KCLGKKWTNKIBLR-LXTVHRRPSA-N 2 0 343.493 0.000 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001022067869 729451916 /nfs/dbraw/zinc/45/19/16/729451916.db2.gz ACHYYIFMTMDHMI-RQJABVFESA-N 2 0 336.436 -0.099 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C2)nc1=O ZINC001022078260 729452129 /nfs/dbraw/zinc/45/21/29/729452129.db2.gz ZQQHTWARKLAFIE-IGQOVBAYSA-N 2 0 348.451 -0.280 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)n1 ZINC001022097189 729454625 /nfs/dbraw/zinc/45/46/25/729454625.db2.gz PUXAKKBFXMUHII-HZSPNIEDSA-N 2 0 348.451 -0.426 20 0 EBADRP CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)c3ccn(CC[NH+](C)C)n3)C2)C1=O ZINC001022097442 729454789 /nfs/dbraw/zinc/45/47/89/729454789.db2.gz XXKCIPZLZRXQIS-GUTXKFCHSA-N 2 0 348.451 -0.474 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001022109025 729456409 /nfs/dbraw/zinc/45/64/09/729456409.db2.gz BHQOZVCAEWRJEO-LJISPDSOSA-N 2 0 337.468 -0.021 20 0 EBADRP Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)nn1 ZINC001022118930 729457238 /nfs/dbraw/zinc/45/72/38/729457238.db2.gz AOQGJODZBMLUEW-NEBZKDRISA-N 2 0 334.424 -0.585 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001022165740 729463084 /nfs/dbraw/zinc/46/30/84/729463084.db2.gz DNJYHZGHRORADF-XQQFMLRXSA-N 2 0 336.440 -0.280 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCCNC3=O)C2)cn1 ZINC001022838771 729536575 /nfs/dbraw/zinc/53/65/75/729536575.db2.gz ZLOQWLBLBHCNGJ-ZNMIVQPWSA-N 2 0 348.451 -0.426 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001023125707 729613772 /nfs/dbraw/zinc/61/37/72/729613772.db2.gz VSEHCLSVSVLSPO-MPZDIEGVSA-N 2 0 336.440 -0.282 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001023125706 729613833 /nfs/dbraw/zinc/61/38/33/729613833.db2.gz VSEHCLSVSVLSPO-LPWJVIDDSA-N 2 0 336.440 -0.282 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCN2CCNC2=O)C1 ZINC001024800406 729931050 /nfs/dbraw/zinc/93/10/50/729931050.db2.gz DWBSMHGIPCKHRZ-GJZGRUSLSA-N 2 0 337.468 -0.066 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001025160669 730008421 /nfs/dbraw/zinc/00/84/21/730008421.db2.gz QDQJJRUHUVGORW-KGLIPLIRSA-N 2 0 336.436 -0.142 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001025684888 730070049 /nfs/dbraw/zinc/07/00/49/730070049.db2.gz XLSQDMTYDMJWRY-RRFJBIMHSA-N 2 0 338.452 -0.746 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H]3CCc4ncnn43)C[C@H]21 ZINC001025708185 730076860 /nfs/dbraw/zinc/07/68/60/730076860.db2.gz MNSWGGHHLJRMMP-ZHMBSYLPSA-N 2 0 330.436 -0.094 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21)[C@H]1C[NH+]2CCC1CC2 ZINC001025787575 730088512 /nfs/dbraw/zinc/08/85/12/730088512.db2.gz UWAUBJSSTXBVFS-ARKGTOAJSA-N 2 0 332.448 -0.347 20 0 EBADRP Cn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)cn1 ZINC001025798898 730090515 /nfs/dbraw/zinc/09/05/15/730090515.db2.gz ONHYIJLYGCMZBW-FIDHJVLJSA-N 2 0 345.447 -0.170 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCC(=O)NC4=O)C[C@H]32)CC[N@@H+]1C ZINC001025975778 730114034 /nfs/dbraw/zinc/11/40/34/730114034.db2.gz RLJHOCGJNAUNIP-SFYOKDCNSA-N 2 0 348.447 -0.432 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001026043627 730117540 /nfs/dbraw/zinc/11/75/40/730117540.db2.gz VHHSFRDEOWHRDU-WSGDXGOYSA-N 2 0 334.420 -0.820 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001026044118 730117714 /nfs/dbraw/zinc/11/77/14/730117714.db2.gz KNHDXQDIHZZQAI-XPABHHOTSA-N 2 0 335.452 -0.744 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001026044114 730117859 /nfs/dbraw/zinc/11/78/59/730117859.db2.gz KNHDXQDIHZZQAI-SEBNEYGDSA-N 2 0 335.452 -0.744 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001026149591 730126650 /nfs/dbraw/zinc/12/66/50/730126650.db2.gz YTLVAPIWEIOMKO-HCZIRCDUSA-N 2 0 348.447 -0.288 20 0 EBADRP Cn1[nH]c(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]32)nc1=O ZINC001026421347 730144506 /nfs/dbraw/zinc/14/45/06/730144506.db2.gz RWRGIUUQYVOSOZ-MELADBBJSA-N 2 0 348.451 -0.469 20 0 EBADRP CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1)[NH+](C)C ZINC001027042554 730184951 /nfs/dbraw/zinc/18/49/51/730184951.db2.gz IAEUWHWCKPYOIF-GXTWGEPZSA-N 2 0 338.456 -0.367 20 0 EBADRP O=C(C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1)N1CCC1 ZINC001028544945 730311293 /nfs/dbraw/zinc/31/12/93/730311293.db2.gz LFXLZHDEJJMXLW-HOCLYGCPSA-N 2 0 334.464 -0.001 20 0 EBADRP NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001028592279 730318743 /nfs/dbraw/zinc/31/87/43/730318743.db2.gz KJGYHKZKNQOPBU-DZGCQCFKSA-N 2 0 338.452 -0.447 20 0 EBADRP O=C(NC[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)C12CCC[NH+]1CCC2 ZINC001028658662 730332869 /nfs/dbraw/zinc/33/28/69/730332869.db2.gz BXBHSSGOKDBWQM-KGLIPLIRSA-N 2 0 348.447 -0.142 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)cn1 ZINC001028857288 730363232 /nfs/dbraw/zinc/36/32/32/730363232.db2.gz VJOCVGIXNZVLAU-ZFWWWQNUSA-N 2 0 348.451 -0.615 20 0 EBADRP O=C(NC[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001028931413 730372190 /nfs/dbraw/zinc/37/21/90/730372190.db2.gz QAQFEAKNDHZVTH-JKSUJKDBSA-N 2 0 347.463 -0.222 20 0 EBADRP O=C(NC[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001028933377 730372258 /nfs/dbraw/zinc/37/22/58/730372258.db2.gz OYFNNXXJMVKRNB-STQMWFEESA-N 2 0 334.420 -0.675 20 0 EBADRP C[C@@H]([NH2+]Cc1nnnn1C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001029170329 730392358 /nfs/dbraw/zinc/39/23/58/730392358.db2.gz MTJFCUDFKOWSES-OCCSQVGLSA-N 2 0 335.456 -0.122 20 0 EBADRP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001029478334 730407312 /nfs/dbraw/zinc/40/73/12/730407312.db2.gz JPISMZJFVYMJBE-RFQIPJPRSA-N 2 0 336.436 -0.193 20 0 EBADRP O=C(NCC1C[NH+](CCN2CCNC2=O)C1)C12CCC[NH+]1CCC2 ZINC001031813238 730773361 /nfs/dbraw/zinc/77/33/61/730773361.db2.gz RCIKISOFWZHEEO-UHFFFAOYSA-N 2 0 335.452 -0.312 20 0 EBADRP C[NH+]1CCC(C(=O)NCC2C[NH+](C[C@@H](O)Cn3cccn3)C2)CC1 ZINC001031949469 730796507 /nfs/dbraw/zinc/79/65/07/730796507.db2.gz SZNWJWOLDOCMFY-MRXNPFEDSA-N 2 0 335.452 -0.366 20 0 EBADRP C[C@H]1CN(C(=O)CN2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)CCO1 ZINC001032186840 730823695 /nfs/dbraw/zinc/82/36/95/730823695.db2.gz XYHVCORLBYEIMF-DZGCQCFKSA-N 2 0 338.452 -0.767 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CN(C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001032186024 730823765 /nfs/dbraw/zinc/82/37/65/730823765.db2.gz GKNBKMNDGHPRBB-TZMCWYRMSA-N 2 0 329.466 -0.579 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC2CN(C[C@@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001032186399 730823772 /nfs/dbraw/zinc/82/37/72/730823772.db2.gz PPZLROIABWYDHB-ZFWWWQNUSA-N 2 0 343.493 -0.189 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[C@H]([NH2+]CC(N)=O)CC2)n1 ZINC001034648887 731148289 /nfs/dbraw/zinc/14/82/89/731148289.db2.gz SQJRZHBRSLIISK-JOCQHMNTSA-N 2 0 336.440 -0.439 20 0 EBADRP CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)C[N@H+](C)C(C)C)C1)[NH+](C)C ZINC001040360232 731713027 /nfs/dbraw/zinc/71/30/27/731713027.db2.gz UZIKSVKQLSDUTI-YOEHRIQHSA-N 2 0 342.484 -0.254 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001061425385 738536539 /nfs/dbraw/zinc/53/65/39/738536539.db2.gz ATSFYVMLDSYJJC-CABCVRRESA-N 2 0 340.468 -0.236 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001061425388 738536556 /nfs/dbraw/zinc/53/65/56/738536556.db2.gz ATSFYVMLDSYJJC-LSDHHAIUSA-N 2 0 340.468 -0.236 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001061426475 738536913 /nfs/dbraw/zinc/53/69/13/738536913.db2.gz PXOOLZXGAXZYNF-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001061426458 738537061 /nfs/dbraw/zinc/53/70/61/738537061.db2.gz PMHFCCDZCPCSPA-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001061426474 738537137 /nfs/dbraw/zinc/53/71/37/738537137.db2.gz PXOOLZXGAXZYNF-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)[C@@H](C(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001040797614 731879103 /nfs/dbraw/zinc/87/91/03/731879103.db2.gz KLBNJBURWWHJQO-RDJZCZTQSA-N 2 0 342.484 -0.396 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001040901451 731910762 /nfs/dbraw/zinc/91/07/62/731910762.db2.gz JTEXNAUPTPMDHK-YOEHRIQHSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC001040935700 731929836 /nfs/dbraw/zinc/92/98/36/731929836.db2.gz ISNRJVZXZOBEAA-JJRVBVJISA-N 2 0 340.468 -0.500 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@H]3CC[N@H+](CCO)[C@@H]3C2)n1 ZINC001042064508 732293623 /nfs/dbraw/zinc/29/36/23/732293623.db2.gz HEIWZLQXDBIFNV-GDBMZVCRSA-N 2 0 335.452 -0.027 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001042104329 732316579 /nfs/dbraw/zinc/31/65/79/732316579.db2.gz NRDHNCAIIADKMO-ZDUSSCGKSA-N 2 0 326.441 -0.888 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCOC[C@@H]2CNC(=O)C[NH+]2CCCC2)C1 ZINC001061599397 738639845 /nfs/dbraw/zinc/63/98/45/738639845.db2.gz AXDXDKBAYRYPCN-CABCVRRESA-N 2 0 338.452 -0.623 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCOC[C@H]2CNC(=O)C[NH+]2CCCC2)C1 ZINC001061599402 738640040 /nfs/dbraw/zinc/64/00/40/738640040.db2.gz AXDXDKBAYRYPCN-HUUCEWRRSA-N 2 0 338.452 -0.623 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001061595416 738635078 /nfs/dbraw/zinc/63/50/78/738635078.db2.gz JCLZVUUHTXXUMN-KGLIPLIRSA-N 2 0 326.441 -0.767 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001043115326 732764475 /nfs/dbraw/zinc/76/44/75/732764475.db2.gz GYOVEKKAZCAVIY-ZIAGYGMSSA-N 2 0 338.452 -0.888 20 0 EBADRP CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1)[NH+](C)C ZINC001043115580 732765112 /nfs/dbraw/zinc/76/51/12/732765112.db2.gz IKZKSNSSFVQSHT-KBPBESRZSA-N 2 0 340.468 -0.786 20 0 EBADRP C[NH+](C)C1(C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)CCC1 ZINC001043126857 732775278 /nfs/dbraw/zinc/77/52/78/732775278.db2.gz FADUECBDLQVVRQ-UHFFFAOYSA-N 2 0 338.452 -0.744 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061605910 738645939 /nfs/dbraw/zinc/64/59/39/738645939.db2.gz ZWRCWNPOGQQGDC-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001043267491 732850226 /nfs/dbraw/zinc/85/02/26/732850226.db2.gz VCDZZKHSIAVWPV-ZIAGYGMSSA-N 2 0 340.468 -0.642 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043417208 732924842 /nfs/dbraw/zinc/92/48/42/732924842.db2.gz WJURXLACMSLBDN-ZIAGYGMSSA-N 2 0 340.468 -0.500 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001043461649 732952825 /nfs/dbraw/zinc/95/28/25/732952825.db2.gz FFXMAQZUIIGFER-HNNXBMFYSA-N 2 0 340.468 -0.644 20 0 EBADRP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CCc3nccn3C2)C1 ZINC001043627169 733031671 /nfs/dbraw/zinc/03/16/71/733031671.db2.gz ZLCVDZQQIVAIEL-ZDUSSCGKSA-N 2 0 349.435 -0.913 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001061651439 738671862 /nfs/dbraw/zinc/67/18/62/738671862.db2.gz PKIMYDJGNXEVIC-LSDHHAIUSA-N 2 0 340.468 -0.236 20 0 EBADRP CC[C@H](C(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1)[NH+](C)C ZINC001043678968 733056762 /nfs/dbraw/zinc/05/67/62/733056762.db2.gz VNFGDMMUPUJJPF-UONOGXRCSA-N 2 0 340.468 -0.642 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001043710594 733071412 /nfs/dbraw/zinc/07/14/12/733071412.db2.gz IFQCRCMYMXQANT-UHFFFAOYSA-N 2 0 340.468 -0.642 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001061657798 738677437 /nfs/dbraw/zinc/67/74/37/738677437.db2.gz DJERPSBLFMCAQD-ZBFHGGJFSA-N 2 0 340.468 -0.378 20 0 EBADRP CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1)[NH+](C)C ZINC001043771756 733105549 /nfs/dbraw/zinc/10/55/49/733105549.db2.gz YGBHRFUHCHSIBI-UONOGXRCSA-N 2 0 340.468 -0.500 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001044011156 733245266 /nfs/dbraw/zinc/24/52/66/733245266.db2.gz KNOCBTIQHUELOG-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@@H](C(=O)NCC1(O)CN(C(=O)C[N@H+](C)C(C)C)C1)[NH+](C)C ZINC001044044278 733260497 /nfs/dbraw/zinc/26/04/97/733260497.db2.gz MYMGFCBCGZKDKL-ZDUSSCGKSA-N 2 0 328.457 -0.644 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CCn2ccnc2)C1 ZINC001044138017 733298808 /nfs/dbraw/zinc/29/88/08/733298808.db2.gz VFPZGWHJOFTDAO-ZDUSSCGKSA-N 2 0 335.408 -0.943 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001044298137 733364568 /nfs/dbraw/zinc/36/45/68/733364568.db2.gz IJGFGPRMCGBOKA-UHFFFAOYSA-N 2 0 340.468 -0.641 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)C1 ZINC001044298547 733365839 /nfs/dbraw/zinc/36/58/39/733365839.db2.gz NMBZIVOUTQAABE-UONOGXRCSA-N 2 0 340.468 -0.785 20 0 EBADRP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC001044802040 733515101 /nfs/dbraw/zinc/51/51/01/733515101.db2.gz ZJFYZNJICHHLEJ-STQMWFEESA-N 2 0 326.441 -0.448 20 0 EBADRP C[C@@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044857051 733526199 /nfs/dbraw/zinc/52/61/99/733526199.db2.gz DVHUTHZVNLFNKS-CHWSQXEVSA-N 2 0 336.440 -0.327 20 0 EBADRP CC[C@@H](C(=O)NC[C@@H]1COCCN1C(=O)CC[NH+](C)C)[NH+](C)C ZINC001061726992 738726883 /nfs/dbraw/zinc/72/68/83/738726883.db2.gz VOUMSNIAVAWDTJ-KGLIPLIRSA-N 2 0 328.457 -0.378 20 0 EBADRP CC[C@@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001045398300 733686317 /nfs/dbraw/zinc/68/63/17/733686317.db2.gz ZZAMUNGMYUASHV-QWHCGFSZSA-N 2 0 326.441 -0.448 20 0 EBADRP CN1CCO[C@@H](C(=O)NC2(C)CC[NH+](CC(=O)N3CCC3)CC2)C1 ZINC001045397845 733686416 /nfs/dbraw/zinc/68/64/16/733686416.db2.gz QOPUCXHBBMUWII-CQSZACIVSA-N 2 0 338.452 -0.480 20 0 EBADRP CN1CC[C@@H]([NH+]2CCC(C)(NC(=O)[C@@H]3CN(C)CCO3)CC2)C1=O ZINC001045397525 733686432 /nfs/dbraw/zinc/68/64/32/733686432.db2.gz FKIGZDTWPQESKN-KGLIPLIRSA-N 2 0 338.452 -0.482 20 0 EBADRP CN1CCO[C@H](C(=O)NC2(C)CC[NH+](CC(=O)N3CCC3)CC2)C1 ZINC001045397844 733686451 /nfs/dbraw/zinc/68/64/51/733686451.db2.gz QOPUCXHBBMUWII-AWEZNQCLSA-N 2 0 338.452 -0.480 20 0 EBADRP C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001045413743 733690390 /nfs/dbraw/zinc/69/03/90/733690390.db2.gz YGFXVFJTKIHPBD-UHFFFAOYSA-N 2 0 340.468 -0.641 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045714020 733758084 /nfs/dbraw/zinc/75/80/84/733758084.db2.gz VXDPZBJEZAFZFE-UHFFFAOYSA-N 2 0 349.435 -0.598 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCN([C@H]3CC[NH+](CCCO)C3)CC2)C1 ZINC001046076634 733850870 /nfs/dbraw/zinc/85/08/70/733850870.db2.gz NVIKUODFTKJHCP-SJORKVTESA-N 2 0 338.496 -0.071 20 0 EBADRP CNC(=O)CN1CC[C@](C)(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001046499956 733948924 /nfs/dbraw/zinc/94/89/24/733948924.db2.gz AAEXOHMMDKRLDX-MITNXELNSA-N 2 0 336.436 -0.824 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046664927 733993127 /nfs/dbraw/zinc/99/31/27/733993127.db2.gz LIFBRULAJJLJEE-KGLIPLIRSA-N 2 0 338.452 -0.746 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[NH+](C)C[C@H]2C)C1 ZINC001046684304 734002943 /nfs/dbraw/zinc/00/29/43/734002943.db2.gz GSDCZBQHCQRPIS-KGLIPLIRSA-N 2 0 340.468 -0.785 20 0 EBADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CN(CCn2cncn2)C[C@@H]1O ZINC001047383339 734166942 /nfs/dbraw/zinc/16/69/42/734166942.db2.gz ICTNPSMNLBUPIZ-PMPSAXMXSA-N 2 0 348.451 -0.877 20 0 EBADRP CN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001047559435 734253423 /nfs/dbraw/zinc/25/34/23/734253423.db2.gz SXMBZHJOVKGZPZ-GJZGRUSLSA-N 2 0 341.431 -0.079 20 0 EBADRP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001047595312 734273894 /nfs/dbraw/zinc/27/38/94/734273894.db2.gz BEXKSALYIMYLOG-JYJNAYRXSA-N 2 0 335.452 -0.272 20 0 EBADRP Cc1cc(C)n(CC[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001047629204 734290757 /nfs/dbraw/zinc/29/07/57/734290757.db2.gz SQNORGZSSJQTLL-ULQDDVLXSA-N 2 0 349.479 -0.045 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001061898497 738802899 /nfs/dbraw/zinc/80/28/99/738802899.db2.gz JMRHOPIIPJGQLS-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061907150 738809652 /nfs/dbraw/zinc/80/96/52/738809652.db2.gz BHQUXWHUVOMNMC-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001048558309 734444186 /nfs/dbraw/zinc/44/41/86/734444186.db2.gz PRWQREVEVCDXKQ-ILXRZTDVSA-N 2 0 340.468 -0.548 20 0 EBADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001048558296 734444208 /nfs/dbraw/zinc/44/42/08/734444208.db2.gz OZZVFCGAUSKBAF-KKUMJFAQSA-N 2 0 340.468 -0.548 20 0 EBADRP CNC(=O)[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001048823411 734525753 /nfs/dbraw/zinc/52/57/53/734525753.db2.gz CGZRFPOYAXJRJG-HNKHHVNMSA-N 2 0 334.464 -0.147 20 0 EBADRP C[NH+](C)C1(C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCC(=O)NC4=O)C[C@@H]3C2)CCC1 ZINC001048860523 734542514 /nfs/dbraw/zinc/54/25/14/734542514.db2.gz YDDJQGQXYFRQSZ-MJBXVCDLSA-N 2 0 348.447 -0.334 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1)[NH+](C)C ZINC001048891933 734560099 /nfs/dbraw/zinc/56/00/99/734560099.db2.gz WVIOQEVQZWMKAB-XJFOESAGSA-N 2 0 336.436 -0.478 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001048896302 734561023 /nfs/dbraw/zinc/56/10/23/734561023.db2.gz YEXXMWGNFQNBJO-LXTVHRRPSA-N 2 0 348.447 -0.334 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2C1 ZINC001049056864 734628881 /nfs/dbraw/zinc/62/88/81/734628881.db2.gz CARAYBIELNVRHO-HRCADAONSA-N 2 0 349.479 -0.114 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@@H]2C1 ZINC001049060020 734630483 /nfs/dbraw/zinc/63/04/83/734630483.db2.gz LQATULHVIOMESY-AYDFFVQHSA-N 2 0 334.464 -0.147 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2C1 ZINC001049060300 734631712 /nfs/dbraw/zinc/63/17/12/734631712.db2.gz QXTVKMBCSBYWSD-WCVJEAGWSA-N 2 0 332.452 -0.134 20 0 EBADRP C[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]2C1 ZINC001049109575 734647381 /nfs/dbraw/zinc/64/73/81/734647381.db2.gz UWTYNAUSNTUOKJ-AEGPPILISA-N 2 0 348.451 -0.678 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[NH+]([C@H]4CCCNC4=O)C[C@@H]3C2)C1 ZINC001049170951 734674807 /nfs/dbraw/zinc/67/48/07/734674807.db2.gz GPQQVNXJCFGRBK-JONQDZQNSA-N 2 0 334.464 -0.003 20 0 EBADRP CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@H]3C2)C1=O ZINC001049214647 734687311 /nfs/dbraw/zinc/68/73/11/734687311.db2.gz QVFYLWSHAOSLIP-JONQDZQNSA-N 2 0 334.464 -0.051 20 0 EBADRP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049215239 734687569 /nfs/dbraw/zinc/68/75/69/734687569.db2.gz PMQPIDUDHCRWAU-ZQDZILKHSA-N 2 0 334.464 -0.005 20 0 EBADRP CN(C(=O)CC[NH+](C)C)[C@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@@H]1O ZINC001049436099 734729800 /nfs/dbraw/zinc/72/98/00/734729800.db2.gz ZSVFAPCFUFCBOM-OFQRWUPVSA-N 2 0 340.468 -0.692 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CC[NH+](C)C)C2)C1 ZINC001049435851 734729995 /nfs/dbraw/zinc/72/99/95/734729995.db2.gz UARYTZMOWCWHQJ-ILXRZTDVSA-N 2 0 340.468 -0.690 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC2(C1)CC[NH+](CCO)CC2 ZINC001050757654 734955221 /nfs/dbraw/zinc/95/52/21/734955221.db2.gz VCXVRTYBKKXZMR-HNNXBMFYSA-N 2 0 325.453 -0.129 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001052936980 735725199 /nfs/dbraw/zinc/72/51/99/735725199.db2.gz GTKUXSFLRZIMJE-ZIAGYGMSSA-N 2 0 336.436 -0.142 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001053035711 735741077 /nfs/dbraw/zinc/74/10/77/735741077.db2.gz XGULSEJTZLJXHR-CABCVRRESA-N 2 0 342.484 -0.273 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001053035714 735741216 /nfs/dbraw/zinc/74/12/16/735741216.db2.gz XGULSEJTZLJXHR-HUUCEWRRSA-N 2 0 342.484 -0.273 20 0 EBADRP Cn1cc(CC[NH+]2CC3(C2)C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CO3)cn1 ZINC001054007463 736146449 /nfs/dbraw/zinc/14/64/49/736146449.db2.gz FJPZWDLMILVXBV-HZPDHXFCSA-N 2 0 347.463 -0.126 20 0 EBADRP C[C@@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1[NH2+]CC(N)=O ZINC001054894753 736264758 /nfs/dbraw/zinc/26/47/58/736264758.db2.gz YGIKLSUGLYJRPU-BXUZGUMPSA-N 2 0 328.376 -0.197 20 0 EBADRP CC[C@@H](C(=O)NC1CC[NH+](CCNC(=O)COC)CC1)[NH+](C)C ZINC001055495254 736357278 /nfs/dbraw/zinc/35/72/78/736357278.db2.gz MPFBTPAHYGVPOX-AWEZNQCLSA-N 2 0 328.457 -0.330 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](CCNC(=O)c3ccn[nH]3)CC2)C1 ZINC001055528956 736370305 /nfs/dbraw/zinc/37/03/05/736370305.db2.gz LAOWHIQKQHJETD-CYBMUJFWSA-N 2 0 348.451 -0.328 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCNC(=O)c2cn[nH]c2)CC1 ZINC001055530447 736370360 /nfs/dbraw/zinc/37/03/60/736370360.db2.gz JXDUCQFPGSZTOX-HNNXBMFYSA-N 2 0 348.451 -0.186 20 0 EBADRP COCC(=O)NC1CC[NH+](CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001055592402 736396257 /nfs/dbraw/zinc/39/62/57/736396257.db2.gz NDUIOVBNCPVYHU-UHFFFAOYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001057209737 737080567 /nfs/dbraw/zinc/08/05/67/737080567.db2.gz VWCNQFDDTGUZAG-KBPBESRZSA-N 2 0 326.441 -0.888 20 0 EBADRP C[NH+](C)CC1(C(=O)NCCN(CCO)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001057212537 737085587 /nfs/dbraw/zinc/08/55/87/737085587.db2.gz OUYRJACMJHDFIR-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001057212889 737086037 /nfs/dbraw/zinc/08/60/37/737086037.db2.gz YOXGFYFNSUJEDG-CABCVRRESA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001057212891 737086522 /nfs/dbraw/zinc/08/65/22/737086522.db2.gz YOXGFYFNSUJEDG-HUUCEWRRSA-N 2 0 340.468 -0.641 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001057587838 737346863 /nfs/dbraw/zinc/34/68/63/737346863.db2.gz MVVKMGJJPWAKGX-OAHLLOKOSA-N 2 0 342.484 -0.252 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001057632304 737371346 /nfs/dbraw/zinc/37/13/46/737371346.db2.gz LVVRZVDSCUPFFX-CQSZACIVSA-N 2 0 328.457 -0.783 20 0 EBADRP C[NH+](C)C1(C(=O)NCCN(CCO)C(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001057636633 737376770 /nfs/dbraw/zinc/37/67/70/737376770.db2.gz VRVBSKNKRCSVHT-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCCN(CCO)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001057636726 737376911 /nfs/dbraw/zinc/37/69/11/737376911.db2.gz XMXKRYVDVGAVAF-CQSZACIVSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)CC[N@@H+](C)CC ZINC001057659775 737397037 /nfs/dbraw/zinc/39/70/37/737397037.db2.gz YYEKGSXBOTYYHO-UHFFFAOYSA-N 2 0 330.473 -0.393 20 0 EBADRP C[NH+](C)CCC(=O)NCCN(CCO)C(=O)CCC[NH+]1CCCC1 ZINC001057859137 737479702 /nfs/dbraw/zinc/47/97/02/737479702.db2.gz ROBJZFFYDUYRPQ-UHFFFAOYSA-N 2 0 342.484 -0.249 20 0 EBADRP CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H](C1CC1)[NH+](C)C)[NH+](C)C ZINC001057876396 737495399 /nfs/dbraw/zinc/49/53/99/737495399.db2.gz IODPAHAIDGONEW-LSDHHAIUSA-N 2 0 342.484 -0.396 20 0 EBADRP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001057876803 737496669 /nfs/dbraw/zinc/49/66/69/737496669.db2.gz SCKHMZCNZNPABB-INIZCTEOSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC001057882046 737501521 /nfs/dbraw/zinc/50/15/21/737501521.db2.gz AQPRYMIXPHJMIA-GJZGRUSLSA-N 2 0 344.500 -0.150 20 0 EBADRP CC[C@@H](C(=O)N(CCO)CCNC(=O)C[NH+](CC)CC)[NH+](C)C ZINC001058168425 737690071 /nfs/dbraw/zinc/69/00/71/737690071.db2.gz DLPHOVSNHGAKDR-AWEZNQCLSA-N 2 0 330.473 -0.395 20 0 EBADRP C[NH+](C)CCC(=O)NCCN(CCO)C(=O)c1ccn2c[nH+]cc2c1 ZINC001058203792 737714075 /nfs/dbraw/zinc/71/40/75/737714075.db2.gz WRNFVDWMJHLNDQ-UHFFFAOYSA-N 2 0 347.419 -0.163 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)CCCC[NH+](C)C ZINC001058236723 737726988 /nfs/dbraw/zinc/72/69/88/737726988.db2.gz CVFXURHDNQFKPT-UHFFFAOYSA-N 2 0 344.500 -0.004 20 0 EBADRP CC(C)[C@H](C(=O)N(CCO)CCNC(=O)C[N@H+](C)C(C)C)[NH+](C)C ZINC001058250849 737733946 /nfs/dbraw/zinc/73/39/46/737733946.db2.gz KUQFSQDCRJQAQJ-MRXNPFEDSA-N 2 0 344.500 -0.150 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001058847167 738029180 /nfs/dbraw/zinc/02/91/80/738029180.db2.gz NNDQSQLWKPQHIY-OAHLLOKOSA-N 2 0 342.484 -0.395 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001058848317 738030641 /nfs/dbraw/zinc/03/06/41/738030641.db2.gz DBSYPIVNNQMNPI-ZIAGYGMSSA-N 2 0 328.457 -0.927 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)CCO1 ZINC001064977196 739455220 /nfs/dbraw/zinc/45/52/20/739455220.db2.gz CKCZCVQXFVBIQA-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001065178092 739582298 /nfs/dbraw/zinc/58/22/98/739582298.db2.gz NFAAXQCNVPYNRM-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](CNC(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001065206299 739592952 /nfs/dbraw/zinc/59/29/52/739592952.db2.gz JZBUTECLAOXGHH-QLFBSQMISA-N 2 0 340.468 -0.378 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001065254963 739615595 /nfs/dbraw/zinc/61/55/95/739615595.db2.gz AVWJNODCMDMRIJ-AWEZNQCLSA-N 2 0 328.457 -0.378 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001065259363 739616940 /nfs/dbraw/zinc/61/69/40/739616940.db2.gz AIWBSFOOCYGPPC-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CCO1 ZINC001065260095 739617512 /nfs/dbraw/zinc/61/75/12/739617512.db2.gz IAWFKNNNHTZYCZ-GDBMZVCRSA-N 2 0 340.468 -0.378 20 0 EBADRP C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001065571727 739768001 /nfs/dbraw/zinc/76/80/01/739768001.db2.gz ARYPIDHWHZRXMN-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001065574231 739770641 /nfs/dbraw/zinc/77/06/41/739770641.db2.gz DDQITPQXFITLJZ-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001065614823 739802751 /nfs/dbraw/zinc/80/27/51/739802751.db2.gz YQAFEMPPABJMBP-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCC(=O)N1CC2(C1)CN(C(=O)C[NH+]1CCCC1)CCO2 ZINC001068399054 740310958 /nfs/dbraw/zinc/31/09/58/740310958.db2.gz OPLIEINXQYZKFD-UHFFFAOYSA-N 2 0 338.452 -0.526 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001069014940 740524079 /nfs/dbraw/zinc/52/40/79/740524079.db2.gz NEUQTWKESFVZQA-UONOGXRCSA-N 2 0 338.452 -0.624 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCc2cccc(N3CC[C@H]([NH2+]CCO)C3)n2)C1 ZINC001069841084 740586886 /nfs/dbraw/zinc/58/68/86/740586886.db2.gz ZYROFOCFBRVZED-HOCLYGCPSA-N 2 0 347.463 -0.190 20 0 EBADRP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070015380 740658721 /nfs/dbraw/zinc/65/87/21/740658721.db2.gz VWRWQVCTYKNEMP-CFVMTHIKSA-N 2 0 336.440 -0.658 20 0 EBADRP CC[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001070304178 740782004 /nfs/dbraw/zinc/78/20/04/740782004.db2.gz OTOZIXHJMDKTFP-CABCVRRESA-N 2 0 336.440 -0.250 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]CCO)c1 ZINC001070554333 740860985 /nfs/dbraw/zinc/86/09/85/740860985.db2.gz RSUQHEDDOBIUHR-IJEWVQPXSA-N 2 0 335.452 -0.362 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001070557068 740862392 /nfs/dbraw/zinc/86/23/92/740862392.db2.gz YENPHSLFYCNSJA-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001070691939 740921747 /nfs/dbraw/zinc/92/17/47/740921747.db2.gz SNAGCWHPSNTJJQ-UPJWGTAASA-N 2 0 336.440 -0.870 20 0 EBADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001072135674 741316686 /nfs/dbraw/zinc/31/66/86/741316686.db2.gz LUECGZQUUPAXNK-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NC(=O)COCC[NH+](C)C ZINC001072678169 741459459 /nfs/dbraw/zinc/45/94/59/741459459.db2.gz YVRZZZVRFRLXIV-KGLIPLIRSA-N 2 0 328.457 -0.521 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001072678171 741459566 /nfs/dbraw/zinc/45/95/66/741459566.db2.gz YVRZZZVRFRLXIV-ZIAGYGMSSA-N 2 0 328.457 -0.521 20 0 EBADRP C[N@H+](CC(=O)N1CC2(C1)CC[NH+]([C@@H]1CCC(=O)NC1=O)C2)C1CCC1 ZINC001072816028 741492807 /nfs/dbraw/zinc/49/28/07/741492807.db2.gz PBYZGFLGFNRNFS-CQSZACIVSA-N 2 0 348.447 -0.190 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)CC[NH+]([C@H]1CCC(=O)NC1=O)C2 ZINC001072981963 741534111 /nfs/dbraw/zinc/53/41/11/741534111.db2.gz WXUJMBKEYIKBJZ-KBPBESRZSA-N 2 0 348.447 -0.190 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@H]2CCC(=O)NC2=O)C3)C1 ZINC001073425987 741611583 /nfs/dbraw/zinc/61/15/83/741611583.db2.gz NLQHJDZJEJQFKA-OLZOCXBDSA-N 2 0 334.420 -0.722 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C)C(N)=O ZINC001074959622 742146715 /nfs/dbraw/zinc/14/67/15/742146715.db2.gz WXSHICHMJYVOED-DYEKYZERSA-N 2 0 336.440 -0.489 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001076574731 742500977 /nfs/dbraw/zinc/50/09/77/742500977.db2.gz MLGXTWWIHKBJFR-LSDHHAIUSA-N 2 0 335.452 -0.360 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001076923532 742646608 /nfs/dbraw/zinc/64/66/08/742646608.db2.gz VZCNMYZIYSZZAA-KBPBESRZSA-N 2 0 328.457 -0.332 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@H]2O)CC[N@@H+]1C ZINC001077027354 742702631 /nfs/dbraw/zinc/70/26/31/742702631.db2.gz ILBGXGHCVRJPPH-YLFCFFPRSA-N 2 0 349.479 -0.146 20 0 EBADRP C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)C[NH+]1CCCC1 ZINC001077495617 743020491 /nfs/dbraw/zinc/02/04/91/743020491.db2.gz MNDSPIHVMKQCEE-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP Cn1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1=O ZINC001077613024 743119341 /nfs/dbraw/zinc/11/93/41/743119341.db2.gz WIERHEAQMSKASF-HZPDHXFCSA-N 2 0 348.447 -0.612 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2O)CC1 ZINC001077618643 743121667 /nfs/dbraw/zinc/12/16/67/743121667.db2.gz NXUCGCAFKMROFT-HZPDHXFCSA-N 2 0 325.453 -0.084 20 0 EBADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001077778980 743244316 /nfs/dbraw/zinc/24/43/16/743244316.db2.gz BBXGDWTYVMSWQZ-ARFHVFGLSA-N 2 0 325.453 -0.084 20 0 EBADRP C[NH+](C)C1(C(=O)N2CCCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)CCC1 ZINC001078411391 743636763 /nfs/dbraw/zinc/63/67/63/743636763.db2.gz LKRLUYAOZYUNTL-UONOGXRCSA-N 2 0 338.452 -0.434 20 0 EBADRP C[N@H+](CCN1C(=O)CNC1=O)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000980391968 805880649 /nfs/dbraw/zinc/88/06/49/805880649.db2.gz UKQPVDVUVHQRAG-QWHCGFSZSA-N 2 0 337.424 -0.977 20 0 EBADRP C[C@@H]1C[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000980766117 806012956 /nfs/dbraw/zinc/01/29/56/806012956.db2.gz ANHGIQLPIMYNFT-CHWSQXEVSA-N 2 0 348.451 -0.469 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000983017495 806839237 /nfs/dbraw/zinc/83/92/37/806839237.db2.gz HVIQJYKBKDGOEG-HUUCEWRRSA-N 2 0 334.464 -0.001 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000983017485 806839938 /nfs/dbraw/zinc/83/99/38/806839938.db2.gz HVIQJYKBKDGOEG-CABCVRRESA-N 2 0 334.464 -0.001 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000976868948 803921723 /nfs/dbraw/zinc/92/17/23/803921723.db2.gz KLCZXGQMMMUPAL-LEOABGAYSA-N 2 0 346.475 -0.147 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]21 ZINC000977197499 804205450 /nfs/dbraw/zinc/20/54/50/804205450.db2.gz SUOFIQZFFARBST-NMNMXBMNSA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC000978183403 804708734 /nfs/dbraw/zinc/70/87/34/804708734.db2.gz UWWICZDTKQBUCO-TUVASFSCSA-N 2 0 335.452 -0.267 20 0 EBADRP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2[C@H]3CN(Cc4cnon4)C[C@H]32)O1 ZINC000978317872 804789806 /nfs/dbraw/zinc/78/98/06/804789806.db2.gz DWLKYAKCGKMHFE-DVLUHMITSA-N 2 0 335.408 -0.417 20 0 EBADRP O=C(NC[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)C12CCC[NH+]1CCC2 ZINC000978394466 804816661 /nfs/dbraw/zinc/81/66/61/804816661.db2.gz DAKIFAHJHNVSER-APIJFGDWSA-N 2 0 332.448 -0.203 20 0 EBADRP CN1CCC[C@H]([N@H+]2C[C@@H]3[C@@H](CNC(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1=O ZINC000978958697 805063580 /nfs/dbraw/zinc/06/35/80/805063580.db2.gz JEDSBNUMNUGEEY-JONQDZQNSA-N 2 0 346.475 -0.003 20 0 EBADRP O=C(NC[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000978964903 805065500 /nfs/dbraw/zinc/06/55/00/805065500.db2.gz VXHZYBOHNSAMSY-FQUUOJAGSA-N 2 0 346.431 -0.819 20 0 EBADRP C[C@@H]([NH2+]Cc1cnnn1C)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC000979450278 805387270 /nfs/dbraw/zinc/38/72/70/805387270.db2.gz NJECCPFCJBYKFV-HIFRSBDPSA-N 2 0 348.451 -0.384 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnnn3C)C2)CC[N@@H+]1C ZINC000983714812 807087921 /nfs/dbraw/zinc/08/79/21/807087921.db2.gz YUVXBEQFMDHSFZ-XDQVBPFNSA-N 2 0 335.456 -0.075 20 0 EBADRP Cn1ncc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)n1 ZINC000983717105 807089013 /nfs/dbraw/zinc/08/90/13/807089013.db2.gz VJABXUIALUSGFG-XOUADPBQSA-N 2 0 348.451 -0.337 20 0 EBADRP Cn1ncnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000983717173 807089214 /nfs/dbraw/zinc/08/92/14/807089214.db2.gz YNDSNXUFECPPGO-KBUPBQIOSA-N 2 0 348.451 -0.337 20 0 EBADRP C[N@H+](CCN1CCNC1=O)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000985793144 807583996 /nfs/dbraw/zinc/58/39/96/807583996.db2.gz UTMGMKZAOHYBJX-CQSZACIVSA-N 2 0 337.468 -0.114 20 0 EBADRP C[C@@H]1[C@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987354701 807899238 /nfs/dbraw/zinc/89/92/38/807899238.db2.gz DVZMBDVKANMLOJ-CHWSQXEVSA-N 2 0 349.435 -0.787 20 0 EBADRP C[C@H]1[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987359327 807899602 /nfs/dbraw/zinc/89/96/02/807899602.db2.gz NJISCDSCYVFHMY-NWDGAFQWSA-N 2 0 334.424 -0.717 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnc3n2CCOC3)CC1 ZINC000990275938 808718737 /nfs/dbraw/zinc/71/87/37/808718737.db2.gz FHVABGJHUPGQSM-AWEZNQCLSA-N 2 0 348.451 -0.017 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCN3CCNC3=O)C2)CC1 ZINC001008408463 810157301 /nfs/dbraw/zinc/15/73/01/810157301.db2.gz YGJKEESJQPMFHW-HNNXBMFYSA-N 2 0 337.468 -0.066 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214335772 810239457 /nfs/dbraw/zinc/23/94/57/810239457.db2.gz IFTCOFUEBJFDRM-MGPQQGTHSA-N 2 0 346.497 -0.544 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001214645716 810269064 /nfs/dbraw/zinc/26/90/64/810269064.db2.gz GILDWQNXEMPICL-VHDGCEQUSA-N 2 0 343.493 -0.191 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC)C1)[NH+](C)C ZINC001214952661 810294395 /nfs/dbraw/zinc/29/43/95/810294395.db2.gz GVSJSYHHQCZHAJ-RBSFLKMASA-N 2 0 342.484 -0.084 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214969005 810294610 /nfs/dbraw/zinc/29/46/10/810294610.db2.gz HXMVCEXDUBGVIB-MCIONIFRSA-N 2 0 346.497 -0.544 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1)[NH+](C)C ZINC001214952543 810295218 /nfs/dbraw/zinc/29/52/18/810295218.db2.gz AHJZNTQOJCFPHR-MGPQQGTHSA-N 2 0 348.513 -0.346 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001215455690 810329321 /nfs/dbraw/zinc/32/93/21/810329321.db2.gz BVAGORBLGGWGSL-ZIAGYGMSSA-N 2 0 326.441 -0.767 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001215455661 810330054 /nfs/dbraw/zinc/33/00/54/810330054.db2.gz ACJSRODLWQSGAG-CHWSQXEVSA-N 2 0 334.424 -0.197 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215456073 810330343 /nfs/dbraw/zinc/33/03/43/810330343.db2.gz MAFFXGPVXBFTEK-CHWSQXEVSA-N 2 0 341.456 -0.390 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+](CC)CC ZINC001215516824 810333805 /nfs/dbraw/zinc/33/38/05/810333805.db2.gz WQNCTDLXBRFOHL-JHJVBQTASA-N 2 0 341.456 -0.262 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001215571297 810335687 /nfs/dbraw/zinc/33/56/87/810335687.db2.gz JJUPSPZHNLXBPO-UPJWGTAASA-N 2 0 341.456 -0.391 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC)C1)[NH+](C)C ZINC001215571243 810336102 /nfs/dbraw/zinc/33/61/02/810336102.db2.gz GVSJSYHHQCZHAJ-KFWWJZLASA-N 2 0 342.484 -0.084 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001215994306 810354768 /nfs/dbraw/zinc/35/47/68/810354768.db2.gz ZTNLOFOQOPXUAH-HUUCEWRRSA-N 2 0 342.484 -0.083 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001216216910 810364449 /nfs/dbraw/zinc/36/44/49/810364449.db2.gz FIFGRWVECPNTNF-HUUCEWRRSA-N 2 0 342.484 -0.083 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC001216410239 810372583 /nfs/dbraw/zinc/37/25/83/810372583.db2.gz WDSHNHHNXRWQLJ-OWCLPIDISA-N 2 0 347.463 -0.224 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001216511560 810375682 /nfs/dbraw/zinc/37/56/82/810375682.db2.gz UDGKSZRKCMLKQP-JHJVBQTASA-N 2 0 341.456 -0.262 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216853901 810396165 /nfs/dbraw/zinc/39/61/65/810396165.db2.gz OGEYMOZCWIOFTN-FRRDWIJNSA-N 2 0 341.456 -0.393 20 0 EBADRP CN(C)C(=O)[C@@H]([NH3+])Cc1ccc(O)c(O[C@H]2COC3(C[NH2+]C3)C2)c1 ZINC001218062691 810474071 /nfs/dbraw/zinc/47/40/71/810474071.db2.gz ORZXGIYPOWNQLS-OLZOCXBDSA-N 2 0 335.404 -0.140 20 0 EBADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1CC[NH2+]C[C@@H]1F ZINC001218064985 810474753 /nfs/dbraw/zinc/47/47/53/810474753.db2.gz CEIRBTSFVVKESQ-DTWKUNHWSA-N 2 0 342.371 -0.161 20 0 EBADRP O=C(Nc1ccc(C(=O)N2CCOCC2)cn1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218510705 810496801 /nfs/dbraw/zinc/49/68/01/810496801.db2.gz NCSXLXKLTJPXTA-CYBMUJFWSA-N 2 0 345.403 -0.699 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218533767 810499437 /nfs/dbraw/zinc/49/94/37/810499437.db2.gz OTVPCHWSPDYNJM-QWRGUYRKSA-N 3 0 338.481 -0.352 20 0 EBADRP Nc1cn(C(=O)C2(N)CC[NH2+]CC2)ccc1=[NH+]CCN1CCOCC1 ZINC001218619212 810510893 /nfs/dbraw/zinc/51/08/93/810510893.db2.gz BLAFIYRIBKFRGI-UHFFFAOYSA-N 2 0 348.451 -0.976 20 0 EBADRP Nc1cn(C(=O)C2CC3(C[NH2+]C3)C2)ccc1=[NH+]CCN1CCOCC1 ZINC001218620070 810512383 /nfs/dbraw/zinc/51/23/83/810512383.db2.gz MUGRYJXYGGWFED-UHFFFAOYSA-N 2 0 345.447 -0.057 20 0 EBADRP CN(C)c1nc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c(N=O)c(=O)[nH]1 ZINC001218664068 810517364 /nfs/dbraw/zinc/51/73/64/810517364.db2.gz XCKNQVAASYOEMM-XLKFXECMSA-N 2 0 335.368 -0.216 20 0 EBADRP Nc1cccnc1N(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1CC[NH2+]CC1 ZINC001218695919 810519991 /nfs/dbraw/zinc/51/99/91/810519991.db2.gz JXTUPBJNBPAVIR-ZDUSSCGKSA-N 3 0 338.481 -0.232 20 0 EBADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N(c1ncccc1N)C1CC[NH2+]CC1 ZINC001218696099 810520152 /nfs/dbraw/zinc/52/01/52/810520152.db2.gz NGMKOEPSXWSHGB-DZGCQCFKSA-N 2 0 347.419 -0.100 20 0 EBADRP Nc1cccnc1N(C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)C1CC[NH2+]CC1 ZINC001218695006 810520602 /nfs/dbraw/zinc/52/06/02/810520602.db2.gz ILZNSTDWOMWYHJ-TUKIKUTGSA-N 2 0 330.436 -0.301 20 0 EBADRP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218726865 810524216 /nfs/dbraw/zinc/52/42/16/810524216.db2.gz RPBMKNGSVKHTKC-SUYBPPKGSA-N 3 0 331.420 -0.040 20 0 EBADRP CCc1cc2ncc(NC(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)cn2n1 ZINC001218735245 810525251 /nfs/dbraw/zinc/52/52/51/810525251.db2.gz BUSFJNLIKAIPCO-CQSZACIVSA-N 2 0 331.424 -0.019 20 0 EBADRP CCOC(=O)C1(C(=O)Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)C[NH2+]C1 ZINC001218728019 810525453 /nfs/dbraw/zinc/52/54/53/810525453.db2.gz QSTRFEWKKMWHFE-GFCCVEGCSA-N 2 0 334.376 -0.087 20 0 EBADRP CC(=O)N1CCC(n2nccc2NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001218734726 810525536 /nfs/dbraw/zinc/52/55/36/810525536.db2.gz KZVGPHAWDPDVRX-CQSZACIVSA-N 2 0 346.435 -0.186 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1cncc(N2CCOCC2)c1 ZINC001218746252 810526673 /nfs/dbraw/zinc/52/66/73/810526673.db2.gz DTYZWXYHUBWTAC-MRXNPFEDSA-N 2 0 348.451 -0.393 20 0 EBADRP C[C@@H](C[NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218778015 810530501 /nfs/dbraw/zinc/53/05/01/810530501.db2.gz GUWIKIRIFUJZNH-GUBZILKMSA-N 2 0 342.831 -0.775 20 0 EBADRP Cc1ccc2c(c1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)CNC2=O ZINC001218819023 810534131 /nfs/dbraw/zinc/53/41/31/810534131.db2.gz HBPZEVLXJQJJLU-CQSZACIVSA-N 2 0 331.420 -0.073 20 0 EBADRP [NH3+][C@@H](C(=O)Nc1ccc(N2CCNC(=O)C2)cc1)C1CC[NH2+]CC1 ZINC001218873295 810538336 /nfs/dbraw/zinc/53/83/36/810538336.db2.gz IHBAPMGOGKBSFP-MRXNPFEDSA-N 2 0 331.420 -0.112 20 0 EBADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218882428 810540147 /nfs/dbraw/zinc/54/01/47/810540147.db2.gz TXHWJVOBVJWOSQ-RYUDHWBXSA-N 2 0 347.419 -0.478 20 0 EBADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)C1(O)CC[NH2+]CC1 ZINC001218880365 810540258 /nfs/dbraw/zinc/54/02/58/810540258.db2.gz WOARCCXWFRFATC-UHFFFAOYSA-N 2 0 332.404 -0.215 20 0 EBADRP [NH3+][C@H](Cc1cnc[nH]1)C(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218881598 810540387 /nfs/dbraw/zinc/54/03/87/810540387.db2.gz XNNVSKXRAJFWOX-CQSZACIVSA-N 2 0 342.403 -0.036 20 0 EBADRP Nc1ccc(S(N)(=O)=O)cc1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218915923 810543764 /nfs/dbraw/zinc/54/37/64/810543764.db2.gz VCKDUIIGCPMFSQ-YMTOWFKASA-N 2 0 339.421 -0.946 20 0 EBADRP Nc1ccc(S(N)(=O)=O)cc1NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001218914446 810544175 /nfs/dbraw/zinc/54/41/75/810544175.db2.gz WEZNLLFQSQNWGS-VIFPVBQESA-N 2 0 329.426 -0.299 20 0 EBADRP CN1c2ccc(NC(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)cc2CC1=O ZINC001219020590 810556508 /nfs/dbraw/zinc/55/65/08/810556508.db2.gz FOSKOAUILCQRSU-CQSZACIVSA-N 2 0 331.420 -0.106 20 0 EBADRP COc1cc2c(cc1NC(=O)C[C@H](O)C[NH3+])NC(=O)[C@]21CC[NH2+]C1 ZINC001219497423 810721517 /nfs/dbraw/zinc/72/15/17/810721517.db2.gz CHSSRPRPXPMFMA-FVMDXXJSSA-N 2 0 334.376 -0.473 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@@H](N)CC[NH3+])NC(=O)[C@@]21CC[NH2+]C1 ZINC001219500761 810724048 /nfs/dbraw/zinc/72/40/48/810724048.db2.gz ICOCCBAAVGIJIJ-MGPLVRAMSA-N 2 0 333.392 -0.507 20 0 EBADRP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001219536896 810741813 /nfs/dbraw/zinc/74/18/13/810741813.db2.gz GMGIBZJBGUPXQE-LYSGOOTNSA-N 2 0 328.372 -0.449 20 0 EBADRP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)N(CC[NH3+])S(C)(=O)=O ZINC001219595642 810764093 /nfs/dbraw/zinc/76/40/93/810764093.db2.gz JLXBTOYOWMCJGV-JTQLQIEISA-N 2 0 337.442 -0.427 20 0 EBADRP O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001219614317 810771717 /nfs/dbraw/zinc/77/17/17/810771717.db2.gz WZUQGQOIVNIFGM-ZDUSSCGKSA-N 2 0 344.341 -0.090 20 0 EBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1C[C@H](Oc2ccccc2)C[NH2+]1 ZINC001219618191 810773116 /nfs/dbraw/zinc/77/31/16/810773116.db2.gz XSBRDPNIPYYOHX-QBYUYEEZSA-N 2 0 337.395 -0.025 20 0 EBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001219635981 810782276 /nfs/dbraw/zinc/78/22/76/810782276.db2.gz UJBUCODZVUDEOC-ORMQQPANSA-N 2 0 332.379 -0.088 20 0 EBADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743581 810819813 /nfs/dbraw/zinc/81/98/13/810819813.db2.gz HGUVJYZNXFMKPM-BFHYXJOUSA-N 2 0 325.409 -0.445 20 0 EBADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219764260 810829306 /nfs/dbraw/zinc/82/93/06/810829306.db2.gz CDKJCUMGLYJGKV-RDBSUJKOSA-N 2 0 340.468 -0.284 20 0 EBADRP O=C(C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219765069 810831311 /nfs/dbraw/zinc/83/13/11/810831311.db2.gz UARCJXASYSARHS-UIBIWLFHSA-N 2 0 336.480 -0.055 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CC(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219766592 810831377 /nfs/dbraw/zinc/83/13/77/810831377.db2.gz XNXFEXMHZKDZHD-OWSLCNJRSA-N 2 0 346.475 -0.283 20 0 EBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001219788978 810841589 /nfs/dbraw/zinc/84/15/89/810841589.db2.gz ULYFVTOXRZKMAG-AHASJALOSA-N 2 0 326.466 -0.190 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001219790896 810842046 /nfs/dbraw/zinc/84/20/46/810842046.db2.gz MFEZHSNWRJXNOT-PBHICJAKSA-N 3 0 348.495 -0.536 20 0 EBADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)c1cnc2n1CC[NH2+]CC2 ZINC001219797646 810845948 /nfs/dbraw/zinc/84/59/48/810845948.db2.gz CHSJLJQNHSURKP-UHFFFAOYSA-N 3 0 346.479 -0.025 20 0 EBADRP CCN(CC)C(=O)CN1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219812258 810856891 /nfs/dbraw/zinc/85/68/91/810856891.db2.gz VAJLOYGHOCZTAM-CABCVRRESA-N 2 0 340.468 -0.500 20 0 EBADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001219812689 810857718 /nfs/dbraw/zinc/85/77/18/810857718.db2.gz GSDMSEABFNMZND-MPGHIAIKSA-N 3 0 336.480 -0.197 20 0 EBADRP [NH3+][C@@H](Cc1c[nH]c2ncccc12)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831193 810866079 /nfs/dbraw/zinc/86/60/79/810866079.db2.gz AWCNIQXFNKIJFF-UXOAXIEHSA-N 2 0 329.404 -0.074 20 0 EBADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219831315 810866415 /nfs/dbraw/zinc/86/64/15/810866415.db2.gz GEAMXCMFWPJSKS-MQYQWHSLSA-N 2 0 346.435 -0.978 20 0 EBADRP [NH3+][C@H](C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1ccc(O)cc1 ZINC001219834357 810868442 /nfs/dbraw/zinc/86/84/42/810868442.db2.gz QBQMZXMQDYIOEH-YLQAJVPDSA-N 2 0 335.404 -0.097 20 0 EBADRP [NH3+][C@@H](Cc1cscn1)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833396 810868882 /nfs/dbraw/zinc/86/88/82/810868882.db2.gz COAHAZKBKBGGBF-WHOFXGATSA-N 2 0 340.449 -0.476 20 0 EBADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1C[NH2+]CCC1(F)F ZINC001219836618 810870897 /nfs/dbraw/zinc/87/08/97/810870897.db2.gz AYKFNEJLMBZNBY-MBNYWOFBSA-N 2 0 333.379 -0.258 20 0 EBADRP O=C(C[C@@H]1CC[NH2+]C[C@@H]1F)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219839356 810872064 /nfs/dbraw/zinc/87/20/64/810872064.db2.gz YWZACXLOJYWOJW-RZLSGREXSA-N 2 0 329.416 -0.165 20 0 EBADRP O=C(C[C@@H]1CC[NH2+]C[C@@H]1F)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219839354 810872152 /nfs/dbraw/zinc/87/21/52/810872152.db2.gz YWZACXLOJYWOJW-HOSILWTGSA-N 2 0 329.416 -0.165 20 0 EBADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1cnc2n1CC[NH2+]CC2 ZINC001219844622 810875215 /nfs/dbraw/zinc/87/52/15/810875215.db2.gz OUAGXWKGZOCZRJ-CXAGYDPISA-N 2 0 349.435 -0.846 20 0 EBADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1[nH]nc2c1C[NH2+]CC2 ZINC001219845294 810875726 /nfs/dbraw/zinc/87/57/26/810875726.db2.gz VSXMCYSXHYIXBN-BDJLRTHQSA-N 2 0 335.408 -0.820 20 0 EBADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1cccnc1N1CC[NH2+]CC1 ZINC001219852059 810879320 /nfs/dbraw/zinc/87/93/20/810879320.db2.gz KPKJACIVVBIYBI-CWRNSKLLSA-N 2 0 345.447 -0.155 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H](O)COc1ccccc1 ZINC001219919106 810907082 /nfs/dbraw/zinc/90/70/82/810907082.db2.gz XUCUPBXDZMJEMB-HOCLYGCPSA-N 2 0 336.436 -0.707 20 0 EBADRP C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001219944136 810919945 /nfs/dbraw/zinc/91/99/45/810919945.db2.gz QKIFUKZLKWKICD-ZNMIVQPWSA-N 2 0 325.453 -0.063 20 0 EBADRP COC(=O)[C@@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1ccc(OC)cc1 ZINC001219975368 810932960 /nfs/dbraw/zinc/93/29/60/810932960.db2.gz RFUVDQKBZFIJIT-KGLIPLIRSA-N 2 0 333.388 -0.166 20 0 EBADRP COC(=O)C1(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C)CC[NH2+]CC1 ZINC001220001051 810942172 /nfs/dbraw/zinc/94/21/72/810942172.db2.gz FKZUEWDCUUXYED-RYUDHWBXSA-N 2 0 342.440 -0.724 20 0 EBADRP COC(=O)C1(NC(=O)[C@@H]2CCCCN2[C@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC001220001619 810942278 /nfs/dbraw/zinc/94/22/78/810942278.db2.gz TWAVRNILFDIQRG-KBPBESRZSA-N 2 0 338.452 -0.386 20 0 EBADRP [NH3+]CC1(N(Cc2ccccc2)C(=O)[C@]23C[NH2+]C[C@H]2COC3)COC1 ZINC001220020697 810951930 /nfs/dbraw/zinc/95/19/30/810951930.db2.gz RSLAEKCZDBMZPZ-YJBOKZPZSA-N 2 0 331.416 -0.021 20 0 EBADRP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC001220120836 810989987 /nfs/dbraw/zinc/98/99/87/810989987.db2.gz RHFVJGCXNCDUFH-AAEUAGOBSA-N 2 0 334.376 -0.022 20 0 EBADRP CC(C)N1CC(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001220160382 811004679 /nfs/dbraw/zinc/00/46/79/811004679.db2.gz YLEIGRLSAGHUCG-GJZGRUSLSA-N 2 0 339.484 -0.358 20 0 EBADRP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCC2(C[NH+](CCO)C2)CC1 ZINC001035757324 811012459 /nfs/dbraw/zinc/01/24/59/811012459.db2.gz HUIWWVRUMBLBEH-SWKXRBFHSA-N 2 0 335.448 -0.234 20 0 EBADRP COC(=O)[C@]1(NC(=O)[C@@]2(N)CC[NH2+]C2)CC[N@H+](Cc2ccccc2)C1 ZINC001220228610 811026433 /nfs/dbraw/zinc/02/64/33/811026433.db2.gz RFVYIXYTCZTDOD-MSOLQXFVSA-N 2 0 346.431 -0.389 20 0 EBADRP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)cn1 ZINC001220237499 811031091 /nfs/dbraw/zinc/03/10/91/811031091.db2.gz ZKEICRVYNKNDQS-CVEARBPZSA-N 2 0 337.468 -0.051 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCC(=O)Nc1nccs1 ZINC001220272836 811042041 /nfs/dbraw/zinc/04/20/41/811042041.db2.gz PANYDMWKWNIFMC-LLVKDONJSA-N 2 0 340.453 -0.662 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220276563 811043030 /nfs/dbraw/zinc/04/30/30/811043030.db2.gz FKBPLBWBEMCJNR-MCIONIFRSA-N 2 0 326.441 -0.984 20 0 EBADRP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220273939 811043665 /nfs/dbraw/zinc/04/36/65/811043665.db2.gz XEXRTLRPSDFOAU-KFWWJZLASA-N 2 0 331.457 -0.867 20 0 EBADRP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001220321549 811056477 /nfs/dbraw/zinc/05/64/77/811056477.db2.gz VJPQNTBZMOGNOT-GUYCJALGSA-N 2 0 346.435 -0.473 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCc1ccc(N2CCOCC2)nn1 ZINC001220390257 811088716 /nfs/dbraw/zinc/08/87/16/811088716.db2.gz VSRVLFNPWZYXIJ-AWEZNQCLSA-N 2 0 336.440 -0.354 20 0 EBADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220431722 811105428 /nfs/dbraw/zinc/10/54/28/811105428.db2.gz NRHXRYYSYFYTLX-ZJUUUORDSA-N 2 0 340.346 -0.733 20 0 EBADRP COC(=O)[C@H](COCc1ccccc1)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220456289 811113920 /nfs/dbraw/zinc/11/39/20/811113920.db2.gz JPZZAWDZZFVIQU-CABCVRRESA-N 2 0 347.415 -0.330 20 0 EBADRP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)[C@@H](N)C[NH3+])cc2)CC1 ZINC001220516152 811134342 /nfs/dbraw/zinc/13/43/42/811134342.db2.gz QBQYUVIMEJJVKK-LPXQKFACSA-N 2 0 333.436 -0.005 20 0 EBADRP [NH3+]CCOCCOCCNC(=O)C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220519575 811135380 /nfs/dbraw/zinc/13/53/80/811135380.db2.gz SQGIZHSDBHVDJW-GOEBONIOSA-N 2 0 329.441 -0.357 20 0 EBADRP COC(=O)C[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1cccnc1 ZINC001220529627 811141722 /nfs/dbraw/zinc/14/17/22/811141722.db2.gz GXUFDTPVQCRKBJ-RYUDHWBXSA-N 2 0 326.422 -0.179 20 0 EBADRP CC(C)([NH3+])CN(C(=O)[C@@]1(N)CC[NH2+]C1)S(=O)(=O)c1ccccc1 ZINC001220535651 811144132 /nfs/dbraw/zinc/14/41/32/811144132.db2.gz IHAVGTDALNFSJQ-OAHLLOKOSA-N 2 0 340.449 -0.368 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001220584575 811165485 /nfs/dbraw/zinc/16/54/85/811165485.db2.gz CPVHDYMERPGMHD-OAGGEKHMSA-N 2 0 343.468 -0.315 20 0 EBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001220583681 811165936 /nfs/dbraw/zinc/16/59/36/811165936.db2.gz ULFQJHDCRWQPIB-KBPBESRZSA-N 2 0 326.441 -0.589 20 0 EBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]([NH3+])CCC(=O)OC(C)(C)C ZINC001220583624 811166385 /nfs/dbraw/zinc/16/63/85/811166385.db2.gz RLUHFSCKWRCPAG-LLVKDONJSA-N 2 0 331.413 -0.214 20 0 EBADRP [NH3+]CCNC(=O)/C=C/C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220648648 811187391 /nfs/dbraw/zinc/18/73/91/811187391.db2.gz HPDRCIOBTUPZRP-AATRIKPKSA-N 2 0 331.420 -0.657 20 0 EBADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220651822 811189696 /nfs/dbraw/zinc/18/96/96/811189696.db2.gz PYWOURALEIYUJZ-OAHLLOKOSA-N 3 0 329.448 -0.479 20 0 EBADRP CC(C)(CC(=O)N1CCCC1)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220687462 811203089 /nfs/dbraw/zinc/20/30/89/811203089.db2.gz NKWBVWLQDGYDRU-CQSZACIVSA-N 2 0 339.484 -0.356 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001220768709 811234233 /nfs/dbraw/zinc/23/42/33/811234233.db2.gz ZFFDTYRGHYDBFV-ZNMIVQPWSA-N 2 0 343.468 -0.459 20 0 EBADRP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2)C(N)=O ZINC001220780988 811238954 /nfs/dbraw/zinc/23/89/54/811238954.db2.gz QWLPPXAZDYMLPS-TZCMFKBTSA-N 2 0 339.440 -0.996 20 0 EBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220789332 811243820 /nfs/dbraw/zinc/24/38/20/811243820.db2.gz KMWUCVRTCDDNEZ-BFHYXJOUSA-N 2 0 334.424 -0.376 20 0 EBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220801504 811245918 /nfs/dbraw/zinc/24/59/18/811245918.db2.gz ZYEYUFMLEBWOKD-DJLDLDEBSA-N 2 0 325.335 -0.581 20 0 EBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220801512 811246409 /nfs/dbraw/zinc/24/64/09/811246409.db2.gz ZYEYUFMLEBWOKD-YIZRAAEISA-N 2 0 325.335 -0.581 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220806224 811247923 /nfs/dbraw/zinc/24/79/23/811247923.db2.gz ZCGISOJDWCBPTQ-WOPDTQHZSA-N 3 0 337.390 -0.607 20 0 EBADRP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])C2CCC3(CC2)OCCO3)C[NH2+]C1 ZINC001220850962 811267380 /nfs/dbraw/zinc/26/73/80/811267380.db2.gz BNVPIQOPJXUCSP-LBPRGKRZSA-N 2 0 341.408 -0.732 20 0 EBADRP C[C@]([NH3+])(Cc1ccc(F)cc1)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001220903583 811288257 /nfs/dbraw/zinc/28/82/57/811288257.db2.gz XFXPQILWCBEQOJ-AWEZNQCLSA-N 2 0 342.375 -0.250 20 0 EBADRP [NH3+]CCN(CCNC(=O)[C@H]([NH3+])Cc1ccccc1F)N(O)N=O ZINC001220901443 811288995 /nfs/dbraw/zinc/28/89/95/811288995.db2.gz ZNHPIBKUMVWCAJ-GFCCVEGCSA-N 2 0 328.348 -0.640 20 0 EBADRP [NH3+][C@@H]1CN[C@H](C(=O)NCC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC001220901056 811289008 /nfs/dbraw/zinc/28/90/08/811289008.db2.gz SFHAFAFOHHKPIS-ZFWWWQNUSA-N 2 0 337.468 -0.731 20 0 EBADRP CCN(CC)C(=O)N1CCC(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001220911508 811291760 /nfs/dbraw/zinc/29/17/60/811291760.db2.gz QJCUAJYYNRJPMA-AWEZNQCLSA-N 2 0 337.468 -0.162 20 0 EBADRP O=C(N[C@H]1CCN(Cc2cccnc2)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220915382 811293355 /nfs/dbraw/zinc/29/33/55/811293355.db2.gz YMEYBFBNIJVMDE-SOLBZPMBSA-N 2 0 329.448 -0.029 20 0 EBADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937706 811301328 /nfs/dbraw/zinc/30/13/28/811301328.db2.gz YAZOGDVFMZVRBG-GJZGRUSLSA-N 2 0 334.420 -0.833 20 0 EBADRP CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220960048 811312448 /nfs/dbraw/zinc/31/24/48/811312448.db2.gz GFLWMOJGWKPVNP-RDBSUJKOSA-N 2 0 339.436 -0.055 20 0 EBADRP N[C@@]1(C(=O)N2CCC([NH3+])(C(=O)NCc3ccccc3)CC2)CC[NH2+]C1 ZINC001220970972 811317392 /nfs/dbraw/zinc/31/73/92/811317392.db2.gz NUPMIHYZHBLLBA-SFHVURJKSA-N 2 0 345.447 -0.687 20 0 EBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001220972546 811317915 /nfs/dbraw/zinc/31/79/15/811317915.db2.gz HPMYZYMQVAKHMH-AAEUAGOBSA-N 2 0 326.441 -0.679 20 0 EBADRP [NH3+]C1(c2ccc(F)cc2)CCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001220982424 811324415 /nfs/dbraw/zinc/32/44/15/811324415.db2.gz FLDRCZPZBQZCGJ-HNNXBMFYSA-N 2 0 348.422 -0.068 20 0 EBADRP [NH3+]C1(c2ccc(F)cc2)CCN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001220982425 811324806 /nfs/dbraw/zinc/32/48/06/811324806.db2.gz FLDRCZPZBQZCGJ-OAHLLOKOSA-N 2 0 348.422 -0.068 20 0 EBADRP COCC(=O)N[C@H]1CC[C@H](NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001221006223 811340763 /nfs/dbraw/zinc/34/07/63/811340763.db2.gz CMXMRMKJTZWSJP-UMVBOHGHSA-N 2 0 326.441 -0.497 20 0 EBADRP COCC(=O)N[C@H]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001221006257 811341300 /nfs/dbraw/zinc/34/13/00/811341300.db2.gz DBTRHQJMSUWTHP-VMUDFCTBSA-N 2 0 338.452 -0.625 20 0 EBADRP CCC(CC)[C@@H](NC(=O)[C@@H]1CC[NH2+]1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221068214 811362029 /nfs/dbraw/zinc/36/20/29/811362029.db2.gz SUBJEWHGXFSVCG-XWSJDDSLSA-N 2 0 341.452 -0.233 20 0 EBADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001221073281 811362892 /nfs/dbraw/zinc/36/28/92/811362892.db2.gz OGUBXBGEDGGZMV-CVEARBPZSA-N 2 0 335.452 -0.080 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001037118408 811369317 /nfs/dbraw/zinc/36/93/17/811369317.db2.gz ZSLZNEZPPXCQDN-QWHCGFSZSA-N 2 0 333.440 -0.320 20 0 EBADRP O=C(CCCn1ccnc1)N[C@@H]1CN(CCN2CCCC2=O)C[C@@H]1O ZINC001221154087 811394028 /nfs/dbraw/zinc/39/40/28/811394028.db2.gz ASJSHXDPQPPFAS-CABCVRRESA-N 2 0 349.435 -0.553 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001221398896 811450531 /nfs/dbraw/zinc/45/05/31/811450531.db2.gz JNLCJFRSULMXSC-DLBZAZTESA-N 3 0 331.464 -0.433 20 0 EBADRP COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])CSCNC(C)=O)c1 ZINC001221407526 811451565 /nfs/dbraw/zinc/45/15/65/811451565.db2.gz ZUHNXWQTZOJAKM-UONOGXRCSA-N 2 0 340.449 -0.035 20 0 EBADRP O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001221408317 811452830 /nfs/dbraw/zinc/45/28/30/811452830.db2.gz IHXCJQCREAPIMD-STQMWFEESA-N 2 0 327.450 -0.733 20 0 EBADRP CC(=O)NCCOCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791366 811535643 /nfs/dbraw/zinc/53/56/43/811535643.db2.gz IHVROZCWKUUKBQ-HZPDHXFCSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001224546620 811764691 /nfs/dbraw/zinc/76/46/91/811764691.db2.gz OBXXZGFORRGMQV-AAEUAGOBSA-N 2 0 339.440 -0.793 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001225449083 811810178 /nfs/dbraw/zinc/81/01/78/811810178.db2.gz VRNPJVKWDDSMOT-LBPRGKRZSA-N 2 0 339.440 -0.506 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O)[NH+](C)C ZINC001226923081 811891015 /nfs/dbraw/zinc/89/10/15/811891015.db2.gz ZRSVGXLAHQODPH-BZPMIXESSA-N 2 0 341.456 -0.216 20 0 EBADRP O=C(NC1CC[NH+](CCOCCO)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001227408057 811920332 /nfs/dbraw/zinc/92/03/32/811920332.db2.gz DUTGLKZRJVDXPI-MRXNPFEDSA-N 2 0 325.453 -0.082 20 0 EBADRP CC[C@H](C(=O)NC1CC[NH+](C[C@H](O)COCCOC)CC1)[NH+](C)C ZINC001227986374 811953755 /nfs/dbraw/zinc/95/37/55/811953755.db2.gz FPDUZHOMPSQFLW-JKSUJKDBSA-N 2 0 345.484 -0.069 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001228262633 811972213 /nfs/dbraw/zinc/97/22/13/811972213.db2.gz WBIOULYTZFGBBJ-VXGBXAGGSA-N 2 0 327.429 -0.460 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001229710169 812051047 /nfs/dbraw/zinc/05/10/47/812051047.db2.gz NYHCQWLDAYDUEV-HUUCEWRRSA-N 2 0 340.468 -0.140 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC(N)=O ZINC001229877716 812061234 /nfs/dbraw/zinc/06/12/34/812061234.db2.gz YLSFMMMKNCILIW-JHJVBQTASA-N 2 0 341.456 -0.071 20 0 EBADRP CN1CCC[C@@H]([NH+]2CCC(NC(=O)COCC[NH+](C)C)CC2)C1=O ZINC001230048794 812072195 /nfs/dbraw/zinc/07/21/95/812072195.db2.gz SVCRFOCBYAVZOT-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(=O)NCCOCC[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001230268007 812094609 /nfs/dbraw/zinc/09/46/09/812094609.db2.gz VVPJWXOIXQJZAC-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001230275258 812095801 /nfs/dbraw/zinc/09/58/01/812095801.db2.gz KGCGURXXJHRBKD-DZGCQCFKSA-N 2 0 340.468 -0.201 20 0 EBADRP CC[NH+](CC)CCN1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC001231766880 812305458 /nfs/dbraw/zinc/30/54/58/812305458.db2.gz JZZQQOIZZVMOGD-UHFFFAOYSA-N 2 0 337.468 -0.457 20 0 EBADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080939857 812376468 /nfs/dbraw/zinc/37/64/68/812376468.db2.gz MWXCCGOTQSXCLB-MGPQQGTHSA-N 2 0 336.436 -0.476 20 0 EBADRP C[NH+](C)CCC(=O)NC1(CO)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001080989018 812427982 /nfs/dbraw/zinc/42/79/82/812427982.db2.gz LHSFTUWEQUCHOY-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CC[C@@]45C[NH2+]C[C@@H](C[C@@H]4C3)O5)[C@@H](O)[C@@H]2O1 ZINC001235369731 812483648 /nfs/dbraw/zinc/48/36/48/812483648.db2.gz UBIKCIHBQGXFAF-LGRQALQYSA-N 2 0 340.420 -0.324 20 0 EBADRP CCOC(=O)c1csc(CN2CC[NH2+]CCNCC[NH2+]CC2)n1 ZINC001235874233 812514811 /nfs/dbraw/zinc/51/48/11/812514811.db2.gz NGYPRGOSFWDEAY-UHFFFAOYSA-N 2 0 341.481 -0.096 20 0 EBADRP C[C@@H]1CNCC(F)(F)[C@@H]1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236308492 812515780 /nfs/dbraw/zinc/51/57/80/812515780.db2.gz GAVJVOOSTXCGAF-CHWSQXEVSA-N 2 0 335.443 -0.407 20 0 EBADRP COc1ncc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc1F ZINC001236310159 812517410 /nfs/dbraw/zinc/51/74/10/812517410.db2.gz BXRUMWOAMRHLJX-UHFFFAOYSA-N 2 0 327.404 -0.155 20 0 EBADRP COC(=O)[C@H]1CN(Cc2cccc(C(=O)NCC[NH3+])c2)CC[C@@H]1[NH3+] ZINC001236414632 812517754 /nfs/dbraw/zinc/51/77/54/812517754.db2.gz LODYQOVNULEIND-GJZGRUSLSA-N 2 0 334.420 -0.303 20 0 EBADRP COC(=O)[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)nc2)C[C@H]1[NH3+] ZINC001236355130 812518361 /nfs/dbraw/zinc/51/83/61/812518361.db2.gz OXPMRLHVSBYSGY-LSDHHAIUSA-N 2 0 333.436 -0.235 20 0 EBADRP CC1(C)O[C@@H]2O[C@@H](C[NH+]3CCC(N4CC[C@@H]([NH3+])C4)CC3)[C@@H](O)[C@@H]2O1 ZINC001236617625 812518565 /nfs/dbraw/zinc/51/85/65/812518565.db2.gz WVPGZIYMUPRKDL-GAUGTXIDSA-N 2 0 341.452 -0.279 20 0 EBADRP O=S(=O)(Nc1ccc(N2CC[NH2+]CC2)cn1)C1CC[NH2+]CC1 ZINC001237470501 812520631 /nfs/dbraw/zinc/52/06/31/812520631.db2.gz ASKPGRWKLSOOBO-UHFFFAOYSA-N 2 0 325.438 -0.015 20 0 EBADRP O=S(=O)(Nc1c(O)cccc1N1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC001237825610 812522914 /nfs/dbraw/zinc/52/29/14/812522914.db2.gz LAKMZSNZEGJGGZ-LLVKDONJSA-N 2 0 326.422 -0.095 20 0 EBADRP [NH3+]CCC[NH2+]CCCNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC001238878287 812534422 /nfs/dbraw/zinc/53/44/22/812534422.db2.gz BOPHZTINRGDFBF-UHFFFAOYSA-N 2 0 342.421 -0.376 20 0 EBADRP [NH3+]CCCC[C@H](NS(=O)(=O)C1CC[NH2+]CC1)C(=O)N1CCCC1 ZINC001238916539 812535951 /nfs/dbraw/zinc/53/59/51/812535951.db2.gz GNQDYQAAYBKELP-AWEZNQCLSA-N 2 0 346.497 -0.222 20 0 EBADRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(S(=O)(=O)CC[NH3+])C2 ZINC001239076850 812540885 /nfs/dbraw/zinc/54/08/85/812540885.db2.gz GPBDAKNCXXZKOW-LSDHHAIUSA-N 2 0 331.482 -0.045 20 0 EBADRP COC(=O)CCc1ccc(S(=O)(=O)N(CC[NH3+])CC[NH3+])cc1 ZINC001239096589 812544510 /nfs/dbraw/zinc/54/45/10/812544510.db2.gz KHIIOVMLUOKHCK-UHFFFAOYSA-N 2 0 329.422 -0.300 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1ccccc1F ZINC001239131586 812546987 /nfs/dbraw/zinc/54/69/87/812546987.db2.gz RLZBYIXJPFQZNJ-UHFFFAOYSA-N 2 0 346.428 -0.370 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=S)NCC[NH+](C)C)C[C@H]1C2 ZINC001239443280 812554016 /nfs/dbraw/zinc/55/40/16/812554016.db2.gz GDYFZFMJOMVEGL-IATRGZMQSA-N 2 0 340.493 -0.247 20 0 EBADRP O[C@@H](CNc1nccnc1N1CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001245955065 812556268 /nfs/dbraw/zinc/55/62/68/812556268.db2.gz BYMXLKMARCWCSF-CYBMUJFWSA-N 2 0 336.440 -0.836 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001245980709 812557474 /nfs/dbraw/zinc/55/74/74/812557474.db2.gz CKCSPKFFMQKRDO-YIDVYQOGSA-N 2 0 327.375 -0.228 20 0 EBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)N1 ZINC001245982230 812557560 /nfs/dbraw/zinc/55/75/60/812557560.db2.gz JFEWBZQKZMZORJ-JQHSSLGASA-N 2 0 330.432 -0.209 20 0 EBADRP OCCc1ccc(OC[C@@H](O)C[NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)cc1 ZINC001245973283 812557639 /nfs/dbraw/zinc/55/76/39/812557639.db2.gz JVPBFPPOJJVAAQ-BHYGNILZSA-N 2 0 342.411 -0.387 20 0 EBADRP O[C@H](CN[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F)CC1(O)CC[NH2+]CC1 ZINC001246000588 812557964 /nfs/dbraw/zinc/55/79/64/812557964.db2.gz QNLIIGPDQWAMHO-SRVKXCTJSA-N 2 0 325.375 -0.018 20 0 EBADRP [NH3+]CCOCCOCC[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001245997739 812557983 /nfs/dbraw/zinc/55/79/83/812557983.db2.gz YYUVYWPJJAWFPQ-JKSUJKDBSA-N 3 0 347.406 -0.223 20 0 EBADRP O[C@H](CN[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)CC1(O)CC[NH2+]CC1 ZINC001246000541 812558029 /nfs/dbraw/zinc/55/80/29/812558029.db2.gz QNLIIGPDQWAMHO-QJPTWQEYSA-N 2 0 325.375 -0.018 20 0 EBADRP O[C@@H](C[NH2+]C1CCN([C@@H]2CC[NH2+]C2)CC1)CC1(O)CC[NH2+]CC1 ZINC001246003380 812558219 /nfs/dbraw/zinc/55/82/19/812558219.db2.gz IHLBPOUSDYXWGB-HZPDHXFCSA-N 3 0 326.485 -0.732 20 0 EBADRP COC(=O)CC1(NC[C@H](O)CC2(O)CC[NH2+]CC2)CC[NH2+]CC1 ZINC001246009734 812559348 /nfs/dbraw/zinc/55/93/48/812559348.db2.gz GTHXHSOBKGOZFG-CYBMUJFWSA-N 2 0 329.441 -0.873 20 0 EBADRP CCOC(=O)C1(NC[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)C[NH2+]C1 ZINC001246011296 812559825 /nfs/dbraw/zinc/55/98/25/812559825.db2.gz QVZZXRDWHUDBDF-UONOGXRCSA-N 2 0 343.374 -0.310 20 0 EBADRP CCOC(=O)[C@@]12C[N@H+](C[C@]3(O)CCC[NH2+]C3)C[C@@H]1CC[NH2+]CC2 ZINC001246035005 812560719 /nfs/dbraw/zinc/56/07/19/812560719.db2.gz MTGDSQQABZEEFS-XIRDDKMYSA-N 3 0 325.453 -0.034 20 0 EBADRP COC(=O)[C@H](N)C1CC[NH+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CC1 ZINC001246047240 812560795 /nfs/dbraw/zinc/56/07/95/812560795.db2.gz CBNMNDXCAVGMJH-UONOGXRCSA-N 2 0 329.441 -0.936 20 0 EBADRP O[C@@H](C[NH+]1CCN(C2CC[NH2+]CC2)CC1)CC1(O)CC[NH2+]CC1 ZINC001246051387 812561068 /nfs/dbraw/zinc/56/10/68/812561068.db2.gz FWPXFPRRVBHZDF-MRXNPFEDSA-N 3 0 326.485 -0.779 20 0 EBADRP [NH3+]CCN(CC[NH3+])C[C@@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 ZINC001246052108 812561078 /nfs/dbraw/zinc/56/10/78/812561078.db2.gz BQXMJKPTZJXSEW-HUUCEWRRSA-N 2 0 340.378 -0.274 20 0 EBADRP O[C@@H](COCc1ccco1)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246055188 812562582 /nfs/dbraw/zinc/56/25/82/812562582.db2.gz LYUGACWDMLDGCW-OAHLLOKOSA-N 2 0 326.441 -0.759 20 0 EBADRP O=C([C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@]3(CC[NH2+]C3)C2)CN1)N1CCSC1 ZINC001246151140 812567469 /nfs/dbraw/zinc/56/74/69/812567469.db2.gz ZACQACAAUDIXAY-YXWQFLTLSA-N 2 0 340.493 -0.250 20 0 EBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C2CN(C3CC[NH2+]CC3)C2)C[C@@H]1C(=O)OC ZINC001246218847 812568585 /nfs/dbraw/zinc/56/85/85/812568585.db2.gz UNSPSKBYPLNNRU-SHHSBJBSSA-N 2 0 339.436 -0.247 20 0 EBADRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC001246217689 812568739 /nfs/dbraw/zinc/56/87/39/812568739.db2.gz VRTSQSWMIWGJMZ-MRXNPFEDSA-N 3 0 333.473 -0.257 20 0 EBADRP O=C([C@@H]1C[C@H]([NH2+]C[C@H](O)C2CC[NH2+]CC2)CN1)N1CCSC1 ZINC001246225253 812569273 /nfs/dbraw/zinc/56/92/73/812569273.db2.gz DMFUPYWGFBQRRP-IHRRRGAJSA-N 2 0 328.482 -0.800 20 0 EBADRP CCOC(=O)C[C@@H]([NH2+][C@H]1CN[C@H](C(=O)OC)C1)C1CC[NH2+]CC1 ZINC001246231492 812569375 /nfs/dbraw/zinc/56/93/75/812569375.db2.gz UVBDDDMCSLUZLJ-MCIONIFRSA-N 2 0 327.425 -0.199 20 0 EBADRP O=C([C@@H]1C[C@H](N[C@@H]2CCO[C@]23CC[NH2+]C3)C[NH2+]1)N1CCSC1 ZINC001246334367 812570399 /nfs/dbraw/zinc/57/03/99/812570399.db2.gz QXTLZWYTDYOXFH-XPCVCDNBSA-N 2 0 326.466 -0.640 20 0 EBADRP Cc1cn(CC(=O)NCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(=O)[nH]c1=O ZINC001246306304 812570412 /nfs/dbraw/zinc/57/04/12/812570412.db2.gz VNWNXSZTKZOUFT-FUNVUKJBSA-N 2 0 335.408 -0.754 20 0 EBADRP [NH3+]CCOCCOCCOCC[NH2+]C1CCC2(CC1)C[NH2+]CCO2 ZINC001246291262 812570947 /nfs/dbraw/zinc/57/09/47/812570947.db2.gz SUFYHRRKMBWKPW-UHFFFAOYSA-N 3 0 345.484 -0.114 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])N[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246401733 812571739 /nfs/dbraw/zinc/57/17/39/812571739.db2.gz OFSSUZSVHUUXIY-SRVKXCTJSA-N 2 0 330.454 -0.880 20 0 EBADRP COCCC1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCS(=O)(=O)CC1 ZINC001246390236 812572290 /nfs/dbraw/zinc/57/22/90/812572290.db2.gz KBLALDBZOHODLI-ZDUSSCGKSA-N 2 0 331.482 -0.346 20 0 EBADRP C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(=O)OC(C)(C)C ZINC001246482700 812573807 /nfs/dbraw/zinc/57/38/07/812573807.db2.gz PRNWKWHOGJAAOM-RWMBFGLXSA-N 2 0 340.468 -0.095 20 0 EBADRP C[C@H](NC(=O)[C@H](C)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(=O)OC(C)(C)C ZINC001246482698 812574237 /nfs/dbraw/zinc/57/42/37/812574237.db2.gz PRNWKWHOGJAAOM-AVGNSLFASA-N 2 0 340.468 -0.095 20 0 EBADRP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCCC2)CN1 ZINC001246519201 812574729 /nfs/dbraw/zinc/57/47/29/812574729.db2.gz NLSKPLPRMUIJSM-KKUMJFAQSA-N 2 0 340.468 -0.010 20 0 EBADRP O=C([C@@H]1C[C@H](N2CCO[C@@]3(CCC[NH2+]C3)C2)C[NH2+]1)N1CCSC1 ZINC001246619039 812577116 /nfs/dbraw/zinc/57/71/16/812577116.db2.gz KORQFYUCQWWYKS-OFQRWUPVSA-N 2 0 340.493 -0.296 20 0 EBADRP O=C([C@@H]1C[C@H](N2CCOCC23CC[NH2+]CC3)C[NH2+]1)N1CCSC1 ZINC001246642089 812577696 /nfs/dbraw/zinc/57/76/96/812577696.db2.gz GPVLNFDNLPXVLS-KBPBESRZSA-N 2 0 340.493 -0.296 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CCN1 ZINC001246629194 812577772 /nfs/dbraw/zinc/57/77/72/812577772.db2.gz PUYJWEZJBUKZPU-IGCXYCKISA-N 2 0 336.436 -0.918 20 0 EBADRP CNC(=O)CN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246709019 812582821 /nfs/dbraw/zinc/58/28/21/812582821.db2.gz MFHHVOOHVBXPJP-KSSFIOAISA-N 2 0 349.479 -0.717 20 0 EBADRP Cc1ccc(N2CCO[C@H]3C[N@@H+]([C@H]4CCNC5(C[NH2+]C5)C4)C[C@H]32)nn1 ZINC001246720304 812583604 /nfs/dbraw/zinc/58/36/04/812583604.db2.gz NGHUBDRAZSTBSL-XHSDSOJGSA-N 2 0 344.463 -0.232 20 0 EBADRP C[C@H]1C[C@@H](N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)CC[NH2+]1 ZINC001246736665 812585076 /nfs/dbraw/zinc/58/50/76/812585076.db2.gz NIPACKMQTKQBBY-STQMWFEESA-N 2 0 341.481 -0.069 20 0 EBADRP c1cnn(Cc2nnc3n2CC[N@H+]([C@@H]2CCNC4(C[NH2+]C4)C2)CC3)c1 ZINC001246778224 812587325 /nfs/dbraw/zinc/58/73/25/812587325.db2.gz PIXVEAMHVNEXTF-CQSZACIVSA-N 2 0 342.451 -0.525 20 0 EBADRP COC(=O)C1C[C@@H]2CC(N3C[C@@H]([NH3+])C[C@H](C(=O)OC)C3)C[C@H](C1)[NH2+]2 ZINC001246797219 812588266 /nfs/dbraw/zinc/58/82/66/812588266.db2.gz NIDNPIGRIOKZLD-AZKQDGAESA-N 2 0 339.436 -0.119 20 0 EBADRP c1cnc(N2CCC(N3CC[NH2+]CCNCC[NH2+]CC3)CC2)nc1 ZINC001246821108 812589195 /nfs/dbraw/zinc/58/91/95/812589195.db2.gz LTGBSQRICJJFPW-UHFFFAOYSA-N 2 0 333.484 -0.470 20 0 EBADRP COC(=O)[C@H]1C[C@@H]([N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CN1 ZINC001246859659 812590106 /nfs/dbraw/zinc/59/01/06/812590106.db2.gz QJBQKSKBXXBKBS-ZPVXYNJMSA-N 2 0 337.420 -0.780 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@H]1CCCC2(C1)OCCO2 ZINC001246924748 812593122 /nfs/dbraw/zinc/59/31/22/812593122.db2.gz JMDNXDUJBXMZTE-AWEZNQCLSA-N 3 0 328.457 -0.212 20 0 EBADRP COC(=O)C(Cc1cn(CCCC[NH2+]CCC[NH3+])nn1)C(=O)OC ZINC001254164883 812697601 /nfs/dbraw/zinc/69/76/01/812697601.db2.gz ZUBJZUSDSAYPOR-UHFFFAOYSA-N 2 0 341.412 -0.499 20 0 EBADRP CN1CCC([NH2+]CCOCCOCCOCCOCC[NH3+])CC1 ZINC001256200356 812727019 /nfs/dbraw/zinc/72/70/19/812727019.db2.gz SEUPLTFZPHHOCQ-UHFFFAOYSA-N 2 0 333.473 -0.305 20 0 EBADRP OCCN(CCO)CCC[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256677756 812736976 /nfs/dbraw/zinc/73/69/76/812736976.db2.gz IEHWAZREBAMIFB-UHFFFAOYSA-N 2 0 329.485 -0.104 20 0 EBADRP COC(=O)CCS(=O)(=O)CC[C@@H](C)NC(=[NH2+])NCCCC[NH3+] ZINC001257919821 812774411 /nfs/dbraw/zinc/77/44/11/812774411.db2.gz QHUFLRBJGLNCEH-LLVKDONJSA-N 2 0 336.458 -0.404 20 0 EBADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001258906249 812798339 /nfs/dbraw/zinc/79/83/39/812798339.db2.gz AUHHWTFAOZRNPW-IZKTWJBDSA-N 2 0 348.484 -0.069 20 0 EBADRP C[NH+](C)CCN1CCC([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001261437669 812906218 /nfs/dbraw/zinc/90/62/18/812906218.db2.gz IHLGCEOLAKRAMW-QGZVFWFLSA-N 3 0 327.517 -0.790 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NOCC[NH+](C)C)CC1=O ZINC001261741543 812980183 /nfs/dbraw/zinc/98/01/83/812980183.db2.gz RTLVKYPMIKSCBP-KBPBESRZSA-N 2 0 326.441 -0.071 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001262034210 813029894 /nfs/dbraw/zinc/02/98/94/813029894.db2.gz WCDONWCLKHTKPM-IACUBPJLSA-N 2 0 326.441 -0.666 20 0 EBADRP C[NH+](C)CCCC(=O)N1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001081502884 813086240 /nfs/dbraw/zinc/08/62/40/813086240.db2.gz LBBVBUDGYPNKER-HUUCEWRRSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1O ZINC001081506618 813099422 /nfs/dbraw/zinc/09/94/22/813099422.db2.gz UZNOWEGZIYIPQY-HUUCEWRRSA-N 2 0 342.484 -0.396 20 0 EBADRP C[C@@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C[C@H](O)C[NH2+]1 ZINC001263103976 813107931 /nfs/dbraw/zinc/10/79/31/813107931.db2.gz RZFCCBRFRBHJQG-WMZOPIPTSA-N 3 0 347.463 -0.177 20 0 EBADRP [NH3+]CCN1CCC[C@H](C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1=O ZINC001263178939 813109024 /nfs/dbraw/zinc/10/90/24/813109024.db2.gz ZYDSBXIMRXQHMG-UONOGXRCSA-N 2 0 338.452 -0.541 20 0 EBADRP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)[C@@H]1C)[NH+](C)C ZINC001264169516 813158687 /nfs/dbraw/zinc/15/86/87/813158687.db2.gz LDAAHCVAFAZFSV-FRRDWIJNSA-N 2 0 339.440 -0.543 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081553093 813165304 /nfs/dbraw/zinc/16/53/04/813165304.db2.gz FLUJYDPLSBLBSL-GJZGRUSLSA-N 2 0 340.468 -0.642 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001265068978 813232762 /nfs/dbraw/zinc/23/27/62/813232762.db2.gz WOQZFPAOXVMVIN-OLZOCXBDSA-N 2 0 341.456 -0.390 20 0 EBADRP C[C@@H](O)C[NH+]1CCN(CCCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001265253435 813276438 /nfs/dbraw/zinc/27/64/38/813276438.db2.gz PSIZFLBXRRZHIS-HZPDHXFCSA-N 2 0 326.485 -0.167 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001265454328 813327612 /nfs/dbraw/zinc/32/76/12/813327612.db2.gz MSADOVQTVAAYEW-KGLIPLIRSA-N 2 0 331.482 -0.047 20 0 EBADRP C[NH+](C)CCCCC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081632690 813330735 /nfs/dbraw/zinc/33/07/35/813330735.db2.gz RJLCORBOYQLANK-CABCVRRESA-N 2 0 342.484 -0.395 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001081634853 813337703 /nfs/dbraw/zinc/33/77/03/813337703.db2.gz NFBXJLPXQMEFIV-HUUCEWRRSA-N 2 0 342.484 -0.395 20 0 EBADRP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCCN1C(=O)CNC1=O ZINC001265790263 813371276 /nfs/dbraw/zinc/37/12/76/813371276.db2.gz JPMKJWZSNBJSAR-CHWSQXEVSA-N 2 0 339.440 -0.493 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCCN1C(=O)CNC1=O ZINC001265790265 813371462 /nfs/dbraw/zinc/37/14/62/813371462.db2.gz JPMKJWZSNBJSAR-QWHCGFSZSA-N 2 0 339.440 -0.493 20 0 EBADRP C[C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CCN1C(=O)CNC1=O ZINC001265856238 813387204 /nfs/dbraw/zinc/38/72/04/813387204.db2.gz MHIFZYPRTNQNNK-LRDDRELGSA-N 2 0 337.424 -0.882 20 0 EBADRP CC(C)[C@H](C(=O)N1CCC[C@H](C(=O)NCC[NH2+]CCO)C1)[NH+](C)C ZINC001265881777 813402130 /nfs/dbraw/zinc/40/21/30/813402130.db2.gz OPPQZNRLVQDSQM-LSDHHAIUSA-N 2 0 342.484 -0.491 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001265941781 813421387 /nfs/dbraw/zinc/42/13/87/813421387.db2.gz KDZZHISWIDJUIW-ZDUSSCGKSA-N 2 0 339.440 -0.539 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081773639 813537186 /nfs/dbraw/zinc/53/71/86/813537186.db2.gz DNHMPDZDIAQKCJ-KBPBESRZSA-N 2 0 328.457 -0.785 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCNS(C)(=O)=O)C1CC1 ZINC001266415194 813562061 /nfs/dbraw/zinc/56/20/61/813562061.db2.gz RVJWPFCYWDOMRJ-ZIAGYGMSSA-N 2 0 346.497 -0.496 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001266566024 813611405 /nfs/dbraw/zinc/61/14/05/813611405.db2.gz YKBVLFHAINXVMM-ZDUSSCGKSA-N 2 0 337.424 -0.785 20 0 EBADRP CCC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)[C@@H]1CCC(=O)NC1=O ZINC001266571014 813612853 /nfs/dbraw/zinc/61/28/53/813612853.db2.gz DWOSKISCVHCEQH-CQSZACIVSA-N 2 0 338.452 -0.038 20 0 EBADRP COCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001081959459 813692114 /nfs/dbraw/zinc/69/21/14/813692114.db2.gz JIUHLECTBBTEHM-VXSWHIBVSA-N 2 0 339.436 -0.689 20 0 EBADRP CC[C@H](C(=O)N(C)CC[NH2+]CC(=O)NC(=O)NC(C)(C)C)[NH+](C)C ZINC001266988618 813720587 /nfs/dbraw/zinc/72/05/87/813720587.db2.gz LVIHRFFVHBDEEX-GFCCVEGCSA-N 2 0 343.472 -0.001 20 0 EBADRP C[N@H+](CC(=O)N1CC[C@@H](C[NH2+]CCS(C)(=O)=O)C1)C1CCC1 ZINC001267044172 813745341 /nfs/dbraw/zinc/74/53/41/813745341.db2.gz GYPYAANMTYSWIJ-ZDUSSCGKSA-N 2 0 331.482 -0.047 20 0 EBADRP CNC(=O)NC(=O)C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001267308296 813841760 /nfs/dbraw/zinc/84/17/60/813841760.db2.gz SLWDBPFBKXGBGA-CYBMUJFWSA-N 2 0 341.456 -0.247 20 0 EBADRP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CC(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001267388106 813871316 /nfs/dbraw/zinc/87/13/16/813871316.db2.gz XXOZCYGTLYWQMP-AWEZNQCLSA-N 2 0 341.456 -0.391 20 0 EBADRP CN(CC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C(=O)C1(C[NH+](C)C)CC1 ZINC001267420083 813887841 /nfs/dbraw/zinc/88/78/41/813887841.db2.gz UULXTSQDHYQXLO-ZDUSSCGKSA-N 2 0 331.482 -0.189 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)N(C)CC[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001267450183 813899809 /nfs/dbraw/zinc/89/98/09/813899809.db2.gz NJKUZLUDOIQWNL-CQSZACIVSA-N 2 0 338.452 -0.040 20 0 EBADRP CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328969 813900930 /nfs/dbraw/zinc/90/09/30/813900930.db2.gz UZXAVICRAOXWCI-HUUCEWRRSA-N 2 0 333.436 -0.206 20 0 EBADRP C[C@H]([NH2+][C@H]1CCC(=O)NC1=O)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001267491746 813914655 /nfs/dbraw/zinc/91/46/55/813914655.db2.gz OFRMZXQYFGTWIL-JSGCOSHPSA-N 2 0 338.452 -0.040 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001082449846 813949106 /nfs/dbraw/zinc/94/91/06/813949106.db2.gz LHBXAKJUCKQDLI-UPJWGTAASA-N 2 0 337.424 -0.931 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1)[NH+](C)C ZINC001082589098 813974593 /nfs/dbraw/zinc/97/45/93/813974593.db2.gz IGTICYOUIRQPDO-RBSFLKMASA-N 2 0 340.468 -0.378 20 0 EBADRP Cn1nnnc1C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001267900584 814065729 /nfs/dbraw/zinc/06/57/29/814065729.db2.gz ZZCXCUPRBNBIJA-KGLIPLIRSA-N 2 0 335.456 -0.120 20 0 EBADRP C[C@H](CC[NH2+]Cc1cn(C)nn1)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001268423718 814239151 /nfs/dbraw/zinc/23/91/51/814239151.db2.gz OXFQPEHVXNTTJU-UONOGXRCSA-N 2 0 338.456 -0.232 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC=CC[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001268522923 814273847 /nfs/dbraw/zinc/27/38/47/814273847.db2.gz ODGUOFIHVVWVAG-BAABZTOOSA-N 2 0 344.419 -0.121 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001268525314 814275405 /nfs/dbraw/zinc/27/54/05/814275405.db2.gz XDPWUXRLAKHRTN-LYOOOYLASA-N 2 0 338.452 -0.362 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268591258 814308578 /nfs/dbraw/zinc/30/85/78/814308578.db2.gz PQCLILOSDOLUCF-AAOUONPWSA-N 2 0 325.413 -0.954 20 0 EBADRP C[C@H](C[NH2+]CCCN1C(=O)CNC1=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268659438 814341835 /nfs/dbraw/zinc/34/18/35/814341835.db2.gz RTJHNWPYBGWWND-VXGBXAGGSA-N 2 0 325.413 -0.883 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCN1C(=O)CNC1=O ZINC001268688681 814351775 /nfs/dbraw/zinc/35/17/75/814351775.db2.gz GGEZYDJVMWHRPN-QWHCGFSZSA-N 2 0 339.440 -0.493 20 0 EBADRP C[C@@H](C[NH2+]CCN1C(=O)NC(C)(C)C1=O)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268715399 814363866 /nfs/dbraw/zinc/36/38/66/814363866.db2.gz HVEDPDGRPMYFRP-NWDGAFQWSA-N 2 0 339.440 -0.637 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268793989 814388118 /nfs/dbraw/zinc/38/81/18/814388118.db2.gz VDKPZHCCAYAWFU-YNEHKIRRSA-N 2 0 341.456 -0.391 20 0 EBADRP C[C@@H]([NH2+]CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)NC(N)=O ZINC001268848147 814412478 /nfs/dbraw/zinc/41/24/78/814412478.db2.gz RSBJEFADTLZCBA-VXGBXAGGSA-N 2 0 327.429 -0.650 20 0 EBADRP CN(C)C(=O)C[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)C(N)=[NH2+])CC2 ZINC001268997113 814468124 /nfs/dbraw/zinc/46/81/24/814468124.db2.gz VJZFQKXLEROXGK-UHFFFAOYSA-N 2 0 338.456 -0.786 20 0 EBADRP CC(=O)NCCOCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001269220778 814584161 /nfs/dbraw/zinc/58/41/61/814584161.db2.gz CHDPIKVICPAMRA-CVEARBPZSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(CC(=O)NC12CC(C(=O)NC3CC[NH+](C)CC3)(C1)C2)C(N)=[NH2+] ZINC001269347569 814652277 /nfs/dbraw/zinc/65/22/77/814652277.db2.gz GGNZTLLUQUSCJM-UHFFFAOYSA-N 2 0 336.440 -0.939 20 0 EBADRP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCN1C(=O)CNC1=O ZINC001269407757 814679135 /nfs/dbraw/zinc/67/91/35/814679135.db2.gz HRYCWKKAIVHVES-FRRDWIJNSA-N 2 0 339.440 -0.637 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001083749875 814754012 /nfs/dbraw/zinc/75/40/12/814754012.db2.gz VFTHQASJOYMGNI-IMJJTQAJSA-N 2 0 325.453 -0.084 20 0 EBADRP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001083937339 815723620 /nfs/dbraw/zinc/72/36/20/815723620.db2.gz YQWAHTKHKCCJKF-WQVCFCJDSA-N 2 0 325.453 -0.350 20 0 EBADRP CC(=O)NCCOCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001270557368 815812626 /nfs/dbraw/zinc/81/26/26/815812626.db2.gz KGOXBXDGIKJZGG-DOTOQJQBSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[NH+]1CCN(CC(=O)N2CC3(CN(CC[NH+](C)C)C3)C2)CC1 ZINC001271533150 816136200 /nfs/dbraw/zinc/13/62/00/816136200.db2.gz FSUDZJJQDQCIKG-UHFFFAOYSA-N 2 0 337.512 -0.282 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H](C)C(N)=O)C2)C1 ZINC001086177546 816261124 /nfs/dbraw/zinc/26/11/24/816261124.db2.gz YRABLHZMGCRGMG-FQUUOJAGSA-N 2 0 326.441 -0.546 20 0 EBADRP O=C(NC[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001086254272 816279366 /nfs/dbraw/zinc/27/93/66/816279366.db2.gz RVBKCHICCAEVRH-XQQFMLRXSA-N 2 0 334.420 -0.628 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001086370825 816309915 /nfs/dbraw/zinc/30/99/15/816309915.db2.gz AVMDDLSSSMXSOA-FDYHWXHSSA-N 2 0 336.440 -0.567 20 0 EBADRP O=C(NC[C@@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001086534379 816364586 /nfs/dbraw/zinc/36/45/86/816364586.db2.gz DNPNNCDCPUWHCR-HDJSIYSDSA-N 2 0 335.452 -0.408 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N(CCO)CC[NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC001272307527 816393650 /nfs/dbraw/zinc/39/36/50/816393650.db2.gz RHACURGHJGFOIN-VXGBXAGGSA-N 2 0 341.374 -0.338 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086982701 816433225 /nfs/dbraw/zinc/43/32/25/816433225.db2.gz YOPOSNMGWVSXTA-LSDHHAIUSA-N 2 0 348.451 -0.726 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086984924 816436053 /nfs/dbraw/zinc/43/60/53/816436053.db2.gz KEDLPLFCVGXSJZ-RRFJBIMHSA-N 2 0 348.451 -0.726 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]CCO)cn1 ZINC001087005441 816443781 /nfs/dbraw/zinc/44/37/81/816443781.db2.gz CLEXETCSTOGMJK-CWRNSKLLSA-N 2 0 335.452 -0.362 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CC2(C1)CC[NH+](CCn1ccnc1)C2 ZINC001272565758 816478391 /nfs/dbraw/zinc/47/83/91/816478391.db2.gz QOSYWLIFNTYCIQ-INIZCTEOSA-N 2 0 346.479 -0.337 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCn1ccnc1)C2 ZINC001272565759 816478561 /nfs/dbraw/zinc/47/85/61/816478561.db2.gz QOSYWLIFNTYCIQ-MRXNPFEDSA-N 2 0 346.479 -0.337 20 0 EBADRP CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)n1 ZINC001087258678 816489658 /nfs/dbraw/zinc/48/96/58/816489658.db2.gz VZDHYIHSYDVUOZ-XKZABGERSA-N 2 0 347.419 -0.229 20 0 EBADRP C[NH+](C)[C@H]1C[C@@H](C(=O)N2CCC3(CC2)NC(=O)[C@H]2C[N@H+](C)C[C@@H]23)C1 ZINC001272614535 816493167 /nfs/dbraw/zinc/49/31/67/816493167.db2.gz XLFFFRWXNCAMIW-XGUBFFRZSA-N 2 0 334.464 -0.005 20 0 EBADRP Cn1cncc1CCC(=O)N1CC[C@@H](CC[NH2+]Cc2nnnn2C)C1 ZINC001272624131 816494310 /nfs/dbraw/zinc/49/43/10/816494310.db2.gz HCZJETALGLKSAT-CYBMUJFWSA-N 2 0 346.439 -0.095 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CN(C)CCO1 ZINC001272704703 816509109 /nfs/dbraw/zinc/50/91/09/816509109.db2.gz UJHLLGDYGDNOIT-UONOGXRCSA-N 2 0 328.457 -0.332 20 0 EBADRP C[NH+]1CCC(C(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC(N)=O)CC1 ZINC001087386397 816515836 /nfs/dbraw/zinc/51/58/36/816515836.db2.gz MGMPKKQXSXFCBV-JONQDZQNSA-N 2 0 334.464 -0.018 20 0 EBADRP C[NH+](C)CCN1C[C@]2(CCN(Cc3c[nH+]ccc3N)C2)OCC1=O ZINC001272808218 816527126 /nfs/dbraw/zinc/52/71/26/816527126.db2.gz IAYKNMGZUKRKLB-QGZVFWFLSA-N 2 0 333.436 -0.141 20 0 EBADRP COC(C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1)OC ZINC001272860691 816539882 /nfs/dbraw/zinc/53/98/82/816539882.db2.gz FLOLYROYHRDBMB-INIZCTEOSA-N 2 0 329.441 -0.282 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCC4)CC[C@@H]3C2)C1 ZINC001088199352 816648143 /nfs/dbraw/zinc/64/81/43/816648143.db2.gz KWVCSUBFOCWEJI-OAGGEKHMSA-N 2 0 334.464 -0.049 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCCCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001088427618 816681930 /nfs/dbraw/zinc/68/19/30/816681930.db2.gz ZCZOMNRTOZVAGQ-LSDHHAIUSA-N 2 0 340.468 -0.199 20 0 EBADRP CNC(=O)C(C)(C)[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001273839224 816784261 /nfs/dbraw/zinc/78/42/61/816784261.db2.gz HSKWQVHNADZSLY-KRWDZBQOSA-N 2 0 338.452 -0.086 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@](CO)([NH2+]CCOCCO)C2)C1 ZINC001273910744 816806825 /nfs/dbraw/zinc/80/68/25/816806825.db2.gz KNTLFIRGGINJRK-RDJZCZTQSA-N 2 0 343.468 -0.720 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@H]1CCC(=O)NC1=O ZINC001274076492 816861429 /nfs/dbraw/zinc/86/14/29/816861429.db2.gz PSTVGDDQJYMFIZ-KBIGUFJUSA-N 2 0 336.436 -0.072 20 0 EBADRP NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001089892436 816933995 /nfs/dbraw/zinc/93/39/95/816933995.db2.gz JPMHOAXPJKAKGA-AJNGGQMLSA-N 2 0 332.448 -0.264 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC/C=C/C[NH2+]Cc1cnnn1C ZINC001274578455 817020704 /nfs/dbraw/zinc/02/07/04/817020704.db2.gz IEPNGTLCTMBIFQ-RDFMZFSFSA-N 2 0 336.440 -0.455 20 0 EBADRP COC(=O)[C@@H](O)C[NH+]1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001274604975 817032992 /nfs/dbraw/zinc/03/29/92/817032992.db2.gz XWJATEJPSQZRCM-ZDUSSCGKSA-N 2 0 327.425 -0.604 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[N@H+](CCCF)C[C@H]2O)n1 ZINC001090270897 817212131 /nfs/dbraw/zinc/21/21/31/817212131.db2.gz CVSSEUNSTPGEKC-DZGCQCFKSA-N 2 0 341.431 -0.031 20 0 EBADRP O=C(N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001090356026 817297916 /nfs/dbraw/zinc/29/79/16/817297916.db2.gz TWVPFEMABKYNGS-GJZGRUSLSA-N 2 0 325.453 -0.204 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+][C@@H](C)C(=O)NC(N)=O)CC[N@@H+]1C ZINC001276013020 817339100 /nfs/dbraw/zinc/33/91/00/817339100.db2.gz ZKZIVKWFZVTSIS-RWMBFGLXSA-N 2 0 341.456 -0.262 20 0 EBADRP C[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)NC(N)=O ZINC001276075994 817353925 /nfs/dbraw/zinc/35/39/25/817353925.db2.gz HKWUKDRKWNVBJJ-NEPJUHHUSA-N 2 0 327.429 -0.508 20 0 EBADRP Cn1cc(C[N@H+]2[C@@H]3CC[C@H]2CN(CC[NH+](C)C)C3)c(=O)n(C)c1=O ZINC001276321517 817385384 /nfs/dbraw/zinc/38/53/84/817385384.db2.gz LUZPAMBAKSBYCL-GASCZTMLSA-N 2 0 335.452 -0.706 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CCC[NH2+][C@H]1CCCNC1=O ZINC001276387185 817395041 /nfs/dbraw/zinc/39/50/41/817395041.db2.gz YGPHDCQZFFJUEZ-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CCC[NH2+][C@H]1CCCNC1=O ZINC001276387186 817395280 /nfs/dbraw/zinc/39/52/80/817395280.db2.gz YGPHDCQZFFJUEZ-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP Cn1ncnc1C(=O)N1[C@H]2COC[C@@H]1C[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001276695599 817454045 /nfs/dbraw/zinc/45/40/45/817454045.db2.gz CFUTXHRKZFCJMU-GASCZTMLSA-N 2 0 348.451 -0.318 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001276983968 817505786 /nfs/dbraw/zinc/50/57/86/817505786.db2.gz YCPZFVPZRQZSPP-AAVRWANBSA-N 2 0 331.482 -0.144 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001277263735 817539664 /nfs/dbraw/zinc/53/96/64/817539664.db2.gz GLVDKRZBMBJCMH-NWDGAFQWSA-N 2 0 327.429 -0.589 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[N@H+](CCCF)C[C@H]2O)cn1 ZINC001090637221 817602160 /nfs/dbraw/zinc/60/21/60/817602160.db2.gz IUQFIBQGWGGNAS-LSDHHAIUSA-N 2 0 341.431 -0.031 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)C[C@@H]1C ZINC001277778009 817635000 /nfs/dbraw/zinc/63/50/00/817635000.db2.gz YUAXAMOZLLPCOQ-KBPBESRZSA-N 2 0 348.513 -0.154 20 0 EBADRP O=C([C@H]1CC12C[NH+](CC1CC[NH2+]CC1)C2)N1CCn2cnnc2C1 ZINC001277821713 817640163 /nfs/dbraw/zinc/64/01/63/817640163.db2.gz MGXUADGAXYXUTA-CQSZACIVSA-N 2 0 330.436 -0.058 20 0 EBADRP C[C@H](CO)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCN(C)C)C[C@H]12 ZINC001277998117 817670860 /nfs/dbraw/zinc/67/08/60/817670860.db2.gz AESPULZGBAUVPS-ARFHVFGLSA-N 2 0 338.496 -0.311 20 0 EBADRP C[C@@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)C1CC[NH+](C)CC1 ZINC001278399176 817752324 /nfs/dbraw/zinc/75/23/24/817752324.db2.gz VATFDTVNUCYZOO-TZMCWYRMSA-N 2 0 346.497 -0.544 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCNS(C)(=O)=O)C[C@@H]1C ZINC001278424366 817759438 /nfs/dbraw/zinc/75/94/38/817759438.db2.gz QEAWXDUHSHPXJS-QWHCGFSZSA-N 2 0 334.486 -0.545 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C(C)(C)C1 ZINC001278691087 817795099 /nfs/dbraw/zinc/79/50/99/817795099.db2.gz XBVJMUZPAJDEMD-CHWSQXEVSA-N 2 0 338.452 -0.042 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CCc1ccnn1C)C(=O)C1CC[NH+](C)CC1 ZINC001278804189 817839854 /nfs/dbraw/zinc/83/98/54/817839854.db2.gz NQRZQTFFMSIHAH-INIZCTEOSA-N 2 0 337.468 -0.287 20 0 EBADRP C[NH+](C)CCCCC(=O)NC[C@@]1(O)CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001278816376 817847139 /nfs/dbraw/zinc/84/71/39/817847139.db2.gz QRPQUXWPRVGJHM-YOEHRIQHSA-N 2 0 340.468 -0.450 20 0 EBADRP O=C(NCC1CC([NH2+][C@@H]2CCC(=O)NC2=O)C1)C12CCC[NH+]1CCC2 ZINC001091118939 817891004 /nfs/dbraw/zinc/89/10/04/817891004.db2.gz DGZQYVLODPFFNX-JXQTWKCFSA-N 2 0 348.447 -0.096 20 0 EBADRP COCCOCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001279410260 817927698 /nfs/dbraw/zinc/92/76/98/817927698.db2.gz UUDCJGYEIWVNMS-OAGGEKHMSA-N 2 0 325.453 -0.009 20 0 EBADRP COc1ccc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CCC[N@@H+]2C)nn1 ZINC001279672383 817966655 /nfs/dbraw/zinc/96/66/55/817966655.db2.gz IHURDJAHAVUOBN-AWEZNQCLSA-N 2 0 337.424 -0.510 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N(CCO)CC[NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC001279900941 818002806 /nfs/dbraw/zinc/00/28/06/818002806.db2.gz AJTUBDGSDFASSC-MRXNPFEDSA-N 2 0 348.447 -0.352 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCN2CCNC2=O)C1 ZINC001279999603 818010509 /nfs/dbraw/zinc/01/05/09/818010509.db2.gz NXGAQGZBPWRWDM-LSDHHAIUSA-N 2 0 337.468 -0.066 20 0 EBADRP CC(C)[C@H](C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1)[NH+](C)C ZINC001094020956 818145545 /nfs/dbraw/zinc/14/55/45/818145545.db2.gz QMHQIZXNLCLDNF-UMVBOHGHSA-N 2 0 337.472 -0.020 20 0 EBADRP O=C([C@@H]1CCC[C@H]2CCC[N@@H+]21)N1CCC(O)(C[NH2+]CCO)CC1 ZINC001281635330 818239380 /nfs/dbraw/zinc/23/93/80/818239380.db2.gz QUXMAZZWDHPNJQ-GJZGRUSLSA-N 2 0 325.453 -0.061 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCc2cn(C3C[NH+](C[C@H]4CCOC4)C3)nn2)C1 ZINC001094339120 818254106 /nfs/dbraw/zinc/25/41/06/818254106.db2.gz SBPRALQEMXBVGN-ZIAGYGMSSA-N 2 0 348.451 -0.261 20 0 EBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)CCN1C(=O)CNC1=O ZINC001282363426 818396943 /nfs/dbraw/zinc/39/69/43/818396943.db2.gz AEIBUZRNFQNPHZ-VXGBXAGGSA-N 2 0 325.413 -0.931 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC(=O)N(C3CN(CCCO)C3)C2)C1 ZINC001094809555 818501016 /nfs/dbraw/zinc/50/10/16/818501016.db2.gz MNGOAYYSKSQSTR-KGLIPLIRSA-N 2 0 338.452 -0.888 20 0 EBADRP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCN2C(=O)CCC2=O)C1)[NH+](C)C ZINC001283080825 818633085 /nfs/dbraw/zinc/63/30/85/818633085.db2.gz VYLNBCVFVGKMHM-IHRRRGAJSA-N 2 0 338.452 -0.040 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCOCCC[NH2+][C@@H]1CCCNC1=O ZINC001283471561 818821383 /nfs/dbraw/zinc/82/13/83/818821383.db2.gz GNFZXFSMUPIRLQ-KGLIPLIRSA-N 2 0 326.441 -0.528 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CCC2=O)C1 ZINC001096540225 818850338 /nfs/dbraw/zinc/85/03/38/818850338.db2.gz MFUAWPXXZMPCFN-KBXIAJHMSA-N 2 0 348.447 -0.191 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCNC(=O)C1CC1 ZINC001283770860 818941222 /nfs/dbraw/zinc/94/12/22/818941222.db2.gz GAIJSWROGTUWTN-KGLIPLIRSA-N 2 0 326.441 -0.936 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]CCO[C@H]2CC2(F)F)CC1 ZINC001283803392 818960602 /nfs/dbraw/zinc/96/06/02/818960602.db2.gz JKUQKEYVDDELNW-OLZOCXBDSA-N 2 0 335.395 -0.181 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001284031133 819072830 /nfs/dbraw/zinc/07/28/30/819072830.db2.gz IZZNAXKKQGYHAU-UONOGXRCSA-N 2 0 348.513 -0.155 20 0 EBADRP C[C@H](O)C[N@H+](CCO)C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001098392787 819167549 /nfs/dbraw/zinc/16/75/49/819167549.db2.gz YSUCYPDEDQXITE-BBRMVZONSA-N 2 0 327.469 -0.007 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC([N@H+](CCO)CC(=O)NC2CC2)CC1 ZINC001098467684 819203964 /nfs/dbraw/zinc/20/39/64/819203964.db2.gz PKODWMKRVRVFBM-UHFFFAOYSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC([N@H+](CCO)CCn2cncn2)CC1 ZINC001098467438 819205033 /nfs/dbraw/zinc/20/50/33/819205033.db2.gz DBKIQMPLYNFTHV-UHFFFAOYSA-N 2 0 338.456 -0.485 20 0 EBADRP CC1CC[NH+](CC(=O)N2CCC([NH+](CCO)CCO)CC2)CC1 ZINC001098509539 819225400 /nfs/dbraw/zinc/22/54/00/819225400.db2.gz PCJYPPTXSITTBD-UHFFFAOYSA-N 2 0 327.469 -0.004 20 0 EBADRP CC1CC[NH+](CC(=O)N2CCC([N@H+](CCO)CC(N)=O)CC2)CC1 ZINC001098509524 819225540 /nfs/dbraw/zinc/22/55/40/819225540.db2.gz NWVOIOUHLISPGX-UHFFFAOYSA-N 2 0 340.468 -0.511 20 0 EBADRP COCC[N@H+](CCO)C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001098532985 819234240 /nfs/dbraw/zinc/23/42/40/819234240.db2.gz NMMNDBHLZNZQPD-UHFFFAOYSA-N 2 0 331.457 -0.504 20 0 EBADRP COC[C@@H](O)C[N@H+](CCO)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001098572549 819251862 /nfs/dbraw/zinc/25/18/62/819251862.db2.gz OAODOWOQLGYUOG-INIZCTEOSA-N 2 0 345.484 -0.381 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCNS(C)(=O)=O)C(C)(C)C ZINC001284616223 819305027 /nfs/dbraw/zinc/30/50/27/819305027.db2.gz ARGLLBAKCQOYKL-CHWSQXEVSA-N 2 0 348.513 -0.250 20 0 EBADRP C[C@@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)CCC[NH+](C)C)C2)nn1 ZINC001098711304 819340173 /nfs/dbraw/zinc/34/01/73/819340173.db2.gz SNHQEKXEYIUWMS-HIFRSBDPSA-N 2 0 338.456 -0.136 20 0 EBADRP CN(CCOCC[NH2+]CC(N)=O)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001284877058 819386452 /nfs/dbraw/zinc/38/64/52/819386452.db2.gz SNIXTKFWKNJKIO-KGLIPLIRSA-N 2 0 326.441 -0.447 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001099892086 819845867 /nfs/dbraw/zinc/84/58/67/819845867.db2.gz HJXOFGVQOTZDIQ-GJZGRUSLSA-N 2 0 343.468 -0.457 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](O)C1 ZINC001099892089 819845892 /nfs/dbraw/zinc/84/58/92/819845892.db2.gz HJXOFGVQOTZDIQ-LSDHHAIUSA-N 2 0 343.468 -0.457 20 0 EBADRP Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@H](O)C2)cn1 ZINC001099971957 819974876 /nfs/dbraw/zinc/97/48/76/819974876.db2.gz OQKGCYVBFFBXBM-HZPDHXFCSA-N 2 0 349.479 -0.144 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001099973852 819978427 /nfs/dbraw/zinc/97/84/27/819978427.db2.gz JXJALLYTCUMLCS-LSDHHAIUSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCCN2CCCC2=O)C[C@@H]1O ZINC001099988350 819995140 /nfs/dbraw/zinc/99/51/40/819995140.db2.gz HENFDTLKDPJUPG-GJZGRUSLSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001100022042 820050472 /nfs/dbraw/zinc/05/04/72/820050472.db2.gz GKLOAPISJNLPLR-HOTGVXAUSA-N 2 0 343.468 -0.721 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001100041917 820109584 /nfs/dbraw/zinc/10/95/84/820109584.db2.gz QBEBXMSBGLSFGB-CABCVRRESA-N 2 0 340.468 -0.498 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCN2CCCC2=O)C[C@H]1O ZINC001100080378 820178712 /nfs/dbraw/zinc/17/87/12/820178712.db2.gz ILXJGQGAUGRWEE-HUUCEWRRSA-N 2 0 340.468 -0.498 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCOCCOC)C[C@@H]1O ZINC001100082764 820182040 /nfs/dbraw/zinc/18/20/40/820182040.db2.gz HVSNLSAENSVTJP-CVEARBPZSA-N 2 0 345.484 -0.067 20 0 EBADRP COCCOC[C@H](O)C[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100637299 820496207 /nfs/dbraw/zinc/49/62/07/820496207.db2.gz LRIDPHDRSVXRPW-YMAMQOFZSA-N 2 0 331.457 -0.554 20 0 EBADRP C[NH+](C)CCC(=O)NCC1CC([NH2+]CC(=O)N2CCOCC2)C1 ZINC001100637179 820496558 /nfs/dbraw/zinc/49/65/58/820496558.db2.gz FVOLKJCVUPZQTF-UHFFFAOYSA-N 2 0 326.441 -0.719 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100638351 820497747 /nfs/dbraw/zinc/49/77/47/820497747.db2.gz HQOZGPUMPAJTMH-VOMCLLRMSA-N 2 0 327.429 -0.733 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC2CC([NH2+]CCN3CCNC3=O)C2)C1 ZINC001100678738 820508495 /nfs/dbraw/zinc/50/84/95/820508495.db2.gz VPJMUSZZCDVDFX-NFOMZHRRSA-N 2 0 337.468 -0.162 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC2CC([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001100678743 820508638 /nfs/dbraw/zinc/50/86/38/820508638.db2.gz VRMCSZJMNFOIAK-VOMCLLRMSA-N 2 0 325.413 -0.993 20 0 EBADRP CC[C@@H](C(=O)NCC1CC([NH2+]CC(=O)N2CCOCC2)C1)[NH+](C)C ZINC001100683501 820511407 /nfs/dbraw/zinc/51/14/07/820511407.db2.gz FKUPDEVDBPOQHA-NRXISQOPSA-N 2 0 340.468 -0.330 20 0 EBADRP CC[C@@H](C(=O)NCC1CC([NH2+]CC(=O)NCCCOC)C1)[NH+](C)C ZINC001100683932 820511701 /nfs/dbraw/zinc/51/17/01/820511701.db2.gz ZBSROAYZEXBMIM-NRXISQOPSA-N 2 0 342.484 -0.036 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1CC([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001100769736 820546727 /nfs/dbraw/zinc/54/67/27/820546727.db2.gz YNKOWAOYWVGMKP-UHFFFAOYSA-N 2 0 348.513 -0.296 20 0 EBADRP CN1CC[C@@H]([NH2+]C2CC(CNC(=O)COCC[NH+](C)C)C2)C1=O ZINC001100870965 820585501 /nfs/dbraw/zinc/58/55/01/820585501.db2.gz UMUQPUYDJRVBLB-JXQTWKCFSA-N 2 0 326.441 -0.720 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001100874434 820586276 /nfs/dbraw/zinc/58/62/76/820586276.db2.gz HCXPEOSCWNZCKD-UHFFFAOYSA-N 2 0 337.424 -0.978 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001100872578 820586378 /nfs/dbraw/zinc/58/63/78/820586378.db2.gz ALFYGTVTQRXUMW-PNESKVBLSA-N 2 0 339.440 -0.732 20 0 EBADRP CC(=O)NCCOCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001100980786 820630822 /nfs/dbraw/zinc/63/08/22/820630822.db2.gz FXMOIDHWTJOPJZ-PCKAHOCUSA-N 2 0 340.468 -0.425 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100986097 820632515 /nfs/dbraw/zinc/63/25/15/820632515.db2.gz MNSTWADCTSUTNO-GPANFISMSA-N 2 0 343.468 -0.410 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001101257537 820739520 /nfs/dbraw/zinc/73/95/20/820739520.db2.gz ZBHXXNXEGSQMMQ-IOASZLSFSA-N 2 0 328.432 -0.068 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC001101351820 820764635 /nfs/dbraw/zinc/76/46/35/820764635.db2.gz NIKMSHPNMMCUEJ-XNJGSVPQSA-N 2 0 336.436 -0.476 20 0 EBADRP CN(C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432218 820790334 /nfs/dbraw/zinc/79/03/34/820790334.db2.gz HYEPLHNWZYYIDF-PBHICJAKSA-N 2 0 340.468 -0.567 20 0 EBADRP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@H+](CC(=O)NC(N)=O)C2 ZINC001101461482 820796688 /nfs/dbraw/zinc/79/66/88/820796688.db2.gz DSHIPWHTVWCFOW-WBMJQRKESA-N 2 0 337.424 -0.943 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101477335 820804937 /nfs/dbraw/zinc/80/49/37/820804937.db2.gz OOOAJIMGSWZRKL-WBMJQRKESA-N 2 0 339.440 -0.698 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@H](N(C)C(=O)COCC[NH+](C)C)C1)[NH+](C)C ZINC001293683642 820809625 /nfs/dbraw/zinc/80/96/25/820809625.db2.gz BGUWIWVZBUWXHJ-GJZGRUSLSA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001101815673 820923328 /nfs/dbraw/zinc/92/33/28/820923328.db2.gz OHWYZLBXOCPNJK-MGPQQGTHSA-N 2 0 346.497 -0.686 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C)[NH+](C)C ZINC001102070176 821020297 /nfs/dbraw/zinc/02/02/97/821020297.db2.gz AHJUHGQRFWGVHV-BZPMIXESSA-N 2 0 341.456 -0.548 20 0 EBADRP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292576 821060805 /nfs/dbraw/zinc/06/08/05/821060805.db2.gz UBNSSDDQOLMWSW-MGPQQGTHSA-N 2 0 338.452 -0.183 20 0 EBADRP C[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102486930 821123500 /nfs/dbraw/zinc/12/35/00/821123500.db2.gz BWVRATHHTBKITB-MGPQQGTHSA-N 2 0 340.468 -0.345 20 0 EBADRP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511045 821132789 /nfs/dbraw/zinc/13/27/89/821132789.db2.gz HECKQHQGJYGZMI-ZIAGYGMSSA-N 2 0 340.468 -0.473 20 0 EBADRP COC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102513759 821134134 /nfs/dbraw/zinc/13/41/34/821134134.db2.gz AGQODWCXNQDVMR-KFWWJZLASA-N 2 0 325.453 -0.226 20 0 EBADRP COC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513315 821134193 /nfs/dbraw/zinc/13/41/93/821134193.db2.gz FHMNNFFSKCYVIZ-RBSFLKMASA-N 2 0 331.457 -0.744 20 0 EBADRP CC[C@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513273 821134662 /nfs/dbraw/zinc/13/46/62/821134662.db2.gz CJDJXTDKKWDROJ-MGPQQGTHSA-N 2 0 328.457 -0.487 20 0 EBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398563 821306539 /nfs/dbraw/zinc/30/65/39/821306539.db2.gz YONOZKMCYFGBIV-VXGBXAGGSA-N 2 0 327.429 -0.793 20 0 EBADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396914 821307051 /nfs/dbraw/zinc/30/70/51/821307051.db2.gz PSPJAVJGYVMQHY-CHWSQXEVSA-N 2 0 338.456 -0.366 20 0 EBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001103718739 821345048 /nfs/dbraw/zinc/34/50/48/821345048.db2.gz CUHQCTQLHRDROM-UPJWGTAASA-N 2 0 339.440 -0.793 20 0 EBADRP C[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103641854 821336748 /nfs/dbraw/zinc/33/67/48/821336748.db2.gz GUFBGIIZWBLYPE-MGPQQGTHSA-N 2 0 328.457 -0.487 20 0 EBADRP C[NH+]1CCC(C(=O)N2CC(n3cc(C[NH2+]CCCO)nn3)C2)CC1 ZINC001105318465 821689964 /nfs/dbraw/zinc/68/99/64/821689964.db2.gz AGNAZYWXBHPMGM-UHFFFAOYSA-N 2 0 336.440 -0.525 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC2(CCC([NH2+]CC(N)=O)CC2)C1 ZINC001105480699 821759983 /nfs/dbraw/zinc/75/99/83/821759983.db2.gz IUXSGGDUXHXUDR-UHFFFAOYSA-N 2 0 326.441 -0.447 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[N@H+](C)[C@@H]1CCN(C)C1=O ZINC001316866057 821899224 /nfs/dbraw/zinc/89/92/24/821899224.db2.gz VOTXOCAXVAXIEU-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP O=C(N[C@@H]1CCC[N@@H+](CCOCCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001316945098 821927684 /nfs/dbraw/zinc/92/76/84/821927684.db2.gz PETAOQMOPSIDIQ-CVEARBPZSA-N 2 0 325.453 -0.082 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](CCN3C(=O)CCC3=O)C2)CC1 ZINC001316984445 821961140 /nfs/dbraw/zinc/96/11/40/821961140.db2.gz AFPFFJTXUISOLW-CYBMUJFWSA-N 2 0 336.436 -0.332 20 0 EBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCS(=O)(=O)N(C)C ZINC001317289310 822065521 /nfs/dbraw/zinc/06/55/21/822065521.db2.gz MELIRLUUMIZISQ-QWHCGFSZSA-N 2 0 334.486 -0.686 20 0 EBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCCN1C(=O)CNC1=O ZINC001317291961 822068622 /nfs/dbraw/zinc/06/86/22/822068622.db2.gz XQQYJMWFHHYAFY-GFCCVEGCSA-N 2 0 325.413 -0.882 20 0 EBADRP CC1CC[NH+](CC(=O)N2CC[C@H]([NH2+]CCNS(C)(=O)=O)C2)CC1 ZINC001317306688 822077415 /nfs/dbraw/zinc/07/74/15/822077415.db2.gz DETRTGXGOQAPLH-AWEZNQCLSA-N 2 0 346.497 -0.542 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001317321864 822082304 /nfs/dbraw/zinc/08/23/04/822082304.db2.gz KEOVHVFHVSBXPZ-GDBMZVCRSA-N 2 0 349.479 -0.209 20 0 EBADRP C[NH+](C)CCC(=O)NCCC[C@@H]1CCC[N@@H+]1CC(=O)NC(N)=O ZINC001317437114 822107702 /nfs/dbraw/zinc/10/77/02/822107702.db2.gz UECJKIYDAZMEEG-GFCCVEGCSA-N 2 0 327.429 -0.506 20 0 EBADRP CC(C)[C@H](C(=O)NCC[N@H+](C)CCN1C(=O)CNC1=O)[NH+](C)C ZINC001317458476 822116521 /nfs/dbraw/zinc/11/65/21/822116521.db2.gz AZAPRGJSPRUBQS-CYBMUJFWSA-N 2 0 327.429 -0.828 20 0 EBADRP CN(CC[NH2+]CCN1CCCC1=O)C(=O)COC1CC[NH+](C)CC1 ZINC001317645894 822190653 /nfs/dbraw/zinc/19/06/53/822190653.db2.gz OUUHELXTXZXYCZ-UHFFFAOYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106599970 822294669 /nfs/dbraw/zinc/29/46/69/822294669.db2.gz RGPVPRUUHBSACX-ZIAGYGMSSA-N 2 0 348.513 -0.439 20 0 EBADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001106602556 822294982 /nfs/dbraw/zinc/29/49/82/822294982.db2.gz OEGMXKOOUIGLHK-FRRDWIJNSA-N 2 0 341.456 -0.404 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106880276 822346874 /nfs/dbraw/zinc/34/68/74/822346874.db2.gz GVMBFJGYHYSXFQ-HZSPNIEDSA-N 2 0 328.457 -0.617 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]Cc1cnnn1C ZINC001106878357 822346911 /nfs/dbraw/zinc/34/69/11/822346911.db2.gz NHNWXFFIDMCVBQ-ZIAGYGMSSA-N 2 0 338.456 -0.423 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cccc(C[NH2+]CCO)n2)C1 ZINC001128107091 828416249 /nfs/dbraw/zinc/41/62/49/828416249.db2.gz MBTCRPPMDZYRFZ-CVEARBPZSA-N 2 0 347.463 -0.047 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106882382 822348324 /nfs/dbraw/zinc/34/83/24/822348324.db2.gz TVDJFFUYNMWXCZ-RBSFLKMASA-N 2 0 325.453 -0.226 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001128533707 828470881 /nfs/dbraw/zinc/47/08/81/828470881.db2.gz QLXSEZKYFQONPW-GFCCVEGCSA-N 2 0 347.435 -0.392 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]CC(=O)Nc1cnccn1 ZINC001128534154 828471274 /nfs/dbraw/zinc/47/12/74/828471274.db2.gz WVRXCIDFKHUTJU-LBPRGKRZSA-N 2 0 340.403 -0.199 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001128534138 828471439 /nfs/dbraw/zinc/47/14/39/828471439.db2.gz WLRMYJHXSCVHOU-ZDUSSCGKSA-N 2 0 334.436 -0.475 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001128784515 828526574 /nfs/dbraw/zinc/52/65/74/828526574.db2.gz NQHUJNVLYWWWFV-NWDGAFQWSA-N 2 0 327.429 -0.589 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001128784517 828526660 /nfs/dbraw/zinc/52/66/60/828526660.db2.gz NQHUJNVLYWWWFV-RYUDHWBXSA-N 2 0 327.429 -0.589 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001128784513 828526731 /nfs/dbraw/zinc/52/67/31/828526731.db2.gz NQHUJNVLYWWWFV-NEPJUHHUSA-N 2 0 327.429 -0.589 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCNS(=O)(=O)CC ZINC001128785739 828527078 /nfs/dbraw/zinc/52/70/78/828527078.db2.gz QZXZPHVGGKEWFB-CYBMUJFWSA-N 2 0 334.486 -0.494 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001106986408 823713526 /nfs/dbraw/zinc/71/35/26/823713526.db2.gz NNMSJLARQNNZSX-RBSFLKMASA-N 2 0 340.468 -0.615 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001107042449 823721199 /nfs/dbraw/zinc/72/11/99/823721199.db2.gz MZHNUHJSJCMQOC-JHJVBQTASA-N 2 0 341.456 -0.406 20 0 EBADRP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129220286 828582714 /nfs/dbraw/zinc/58/27/14/828582714.db2.gz UMNFRMVKVBQTQS-MCIONIFRSA-N 2 0 336.440 -0.658 20 0 EBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001129338535 828600337 /nfs/dbraw/zinc/60/03/37/828600337.db2.gz BLHZYIMUMUHHRC-HNNXBMFYSA-N 2 0 340.468 -0.471 20 0 EBADRP Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)C3([NH+](C)C)CCC3)C2=O)cn1 ZINC001129364619 828605589 /nfs/dbraw/zinc/60/55/89/828605589.db2.gz YNOOOISYHIVZTD-CQSZACIVSA-N 2 0 348.451 -0.285 20 0 EBADRP CC[C@@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)C(N)=O ZINC001129364334 828605710 /nfs/dbraw/zinc/60/57/10/828605710.db2.gz SMNSFQHFFSFSKT-KGLIPLIRSA-N 2 0 326.441 -0.401 20 0 EBADRP O=C(NCC[NH2+][C@@H]1CCCNC1=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364162 828605769 /nfs/dbraw/zinc/60/57/69/828605769.db2.gz QFWNCIPSMQKAMT-HUUCEWRRSA-N 2 0 338.452 -0.386 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001129422139 828615793 /nfs/dbraw/zinc/61/57/93/828615793.db2.gz GGENAQNNZNRWTC-CQSZACIVSA-N 2 0 348.513 -0.106 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]CCN1CCCS1(=O)=O)C1CC1 ZINC001129435491 828619045 /nfs/dbraw/zinc/61/90/45/828619045.db2.gz GUEKGSQBNKMPPY-ZDUSSCGKSA-N 2 0 332.470 -0.932 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129444329 828620086 /nfs/dbraw/zinc/62/00/86/828620086.db2.gz RMSBRVLMDLJCIX-CYBMUJFWSA-N 2 0 334.486 -0.686 20 0 EBADRP COCCS(=O)(=O)CCC[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129535215 828632435 /nfs/dbraw/zinc/63/24/35/828632435.db2.gz LNWBFYOJRVWTIF-UHFFFAOYSA-N 2 0 349.497 -0.372 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC001109672493 824583030 /nfs/dbraw/zinc/58/30/30/824583030.db2.gz HIZVCCBJXFDPSP-UGUYLWEFSA-N 2 0 335.452 -0.083 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129856363 828682233 /nfs/dbraw/zinc/68/22/33/828682233.db2.gz PXKTUGOOLKMNFF-CYBMUJFWSA-N 2 0 341.456 -0.198 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129850006 828681330 /nfs/dbraw/zinc/68/13/30/828681330.db2.gz JCDJEVVPPSYTLO-OAGGEKHMSA-N 2 0 348.451 -0.656 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001129856561 828682572 /nfs/dbraw/zinc/68/25/72/828682572.db2.gz UFYJOLBJVBAWMN-AWEZNQCLSA-N 2 0 326.441 -0.575 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001129994380 828710413 /nfs/dbraw/zinc/71/04/13/828710413.db2.gz KTFILXQNIXPUPZ-ZNMIVQPWSA-N 2 0 336.440 -0.392 20 0 EBADRP COCCCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129994500 828710525 /nfs/dbraw/zinc/71/05/25/828710525.db2.gz RNAFDQUCJOQFCE-CABCVRRESA-N 2 0 338.456 -0.002 20 0 EBADRP COCC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1 ZINC001130091408 828731388 /nfs/dbraw/zinc/73/13/88/828731388.db2.gz QTIMIFACJQCXRY-KGLIPLIRSA-N 2 0 334.424 -0.638 20 0 EBADRP O=C(NCC[NH2+]C[C@@H](O)Cn1cccn1)C12CCC[NH+](CCC1)C2 ZINC001130169186 828742879 /nfs/dbraw/zinc/74/28/79/828742879.db2.gz AHDNKXXBRKMASG-OAHLLOKOSA-N 2 0 335.452 -0.174 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130169947 828743173 /nfs/dbraw/zinc/74/31/73/828743173.db2.gz KNNTVJDTGSEINB-UHFFFAOYSA-N 2 0 340.468 -0.279 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130187537 828750517 /nfs/dbraw/zinc/75/05/17/828750517.db2.gz XNKNXAQHDPLOFD-STQMWFEESA-N 2 0 339.440 -0.445 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)N1CCOC[C@H]1C1CC1)[NH+](C)C ZINC001130203151 828755227 /nfs/dbraw/zinc/75/52/27/828755227.db2.gz GRJOIYAEWLWTTB-CABCVRRESA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1)C(=O)NC1CC1 ZINC001130232249 828762298 /nfs/dbraw/zinc/76/22/98/828762298.db2.gz PRFKJPSZKHCWLZ-ZDUSSCGKSA-N 2 0 340.468 -0.282 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCOCCO)C3)C1 ZINC001111983513 825366769 /nfs/dbraw/zinc/36/67/69/825366769.db2.gz LOLGXCAWEUARKI-ZOBUZTSGSA-N 2 0 325.453 -0.082 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ncccn1 ZINC001130297384 828776641 /nfs/dbraw/zinc/77/66/41/828776641.db2.gz LOLFLCVQZOXTPE-QWHCGFSZSA-N 2 0 334.424 -0.006 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001130297963 828776803 /nfs/dbraw/zinc/77/68/03/828776803.db2.gz UMGYCZSKOUOQHW-CQSZACIVSA-N 2 0 326.441 -0.528 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001130303384 828776956 /nfs/dbraw/zinc/77/69/56/828776956.db2.gz AXGBLXPSKGGSOT-LBPRGKRZSA-N 2 0 341.456 -0.199 20 0 EBADRP C[NH+](C)CCC(=O)NCc1c[nH]nc1[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001130414991 828821988 /nfs/dbraw/zinc/82/19/88/828821988.db2.gz BJBKZUZIOSQWKW-JSGCOSHPSA-N 2 0 348.451 -0.345 20 0 EBADRP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCNC(C)=O)C[C@H]21)[NH+](C)C ZINC001114463089 826256773 /nfs/dbraw/zinc/25/67/73/826256773.db2.gz DZQCTPCCMUZVGB-QXSJWSMHSA-N 2 0 340.468 -0.474 20 0 EBADRP CCCNC(=O)C[NH2+][C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C ZINC001179933943 833028361 /nfs/dbraw/zinc/02/83/61/833028361.db2.gz OJEGWGKGNNFHBB-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C)C(=O)NC(N)=O ZINC001179972127 833030376 /nfs/dbraw/zinc/03/03/76/833030376.db2.gz HEVHEXCDZGGGMO-AGIUHOORSA-N 2 0 341.456 -0.119 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]C[C@H](O)COCCOC)[C@@H]1C ZINC001179987326 833031701 /nfs/dbraw/zinc/03/17/01/833031701.db2.gz PXARJZPOGUFZJL-JYJNAYRXSA-N 2 0 345.484 -0.069 20 0 EBADRP CC(C)(C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21)[NH+]1CCCC1 ZINC001114663570 826315059 /nfs/dbraw/zinc/31/50/59/826315059.db2.gz VDKSDSFPUXSXAU-FICVDOATSA-N 2 0 325.453 -0.084 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001114837691 826351828 /nfs/dbraw/zinc/35/18/28/826351828.db2.gz JQZMYUMPZPHYCI-TTZDDIAXSA-N 2 0 325.453 -0.228 20 0 EBADRP O=C(NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001115123747 826427947 /nfs/dbraw/zinc/42/79/47/826427947.db2.gz VITMVSDVEDLEEQ-FICVDOATSA-N 2 0 332.448 -0.345 20 0 EBADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126595 826428641 /nfs/dbraw/zinc/42/86/41/826428641.db2.gz PZRKOTFVGBSPGS-RMRHIDDWSA-N 2 0 326.441 -0.912 20 0 EBADRP C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115143351 826433029 /nfs/dbraw/zinc/43/30/29/826433029.db2.gz BGQMYHYDJGOSKK-IATRGZMQSA-N 2 0 336.436 -0.430 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC2([NH2+]CC(N)=O)CCCCC2)C1 ZINC001115691136 826570646 /nfs/dbraw/zinc/57/06/46/826570646.db2.gz LOABXKSLFSOCOQ-AWEZNQCLSA-N 2 0 340.468 -0.010 20 0 EBADRP CCN(CC)CC(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001180387390 833080661 /nfs/dbraw/zinc/08/06/61/833080661.db2.gz GHNIPHJPLRYMHR-UHFFFAOYSA-N 2 0 344.437 -0.050 20 0 EBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CCC(=O)N1CCOCC1 ZINC001180496989 833085991 /nfs/dbraw/zinc/08/59/91/833085991.db2.gz GBIOQCAWMUCRCF-UHFFFAOYSA-N 2 0 327.429 -0.311 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001117920727 826824256 /nfs/dbraw/zinc/82/42/56/826824256.db2.gz KAUAISXNSVANGY-AWEZNQCLSA-N 2 0 328.457 -0.567 20 0 EBADRP COCC[N@H+](C)C[C@H](O)CN1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC001118367985 826918805 /nfs/dbraw/zinc/91/88/05/826918805.db2.gz FRHXYNULAIRTTR-SJORKVTESA-N 2 0 328.501 -0.363 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)c2[nH]nc3c2C[NH2+]CC3)CC1 ZINC001118571331 826961390 /nfs/dbraw/zinc/96/13/90/826961390.db2.gz CGJMFRRVAFKJPG-UHFFFAOYSA-N 2 0 348.451 -0.224 20 0 EBADRP CCO[C@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001118729156 826992178 /nfs/dbraw/zinc/99/21/78/826992178.db2.gz ZRLRJSQBGOVKKN-HDJSIYSDSA-N 2 0 328.457 -0.378 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001118739070 826993794 /nfs/dbraw/zinc/99/37/94/826993794.db2.gz HWPSMLXJHWOCOY-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP CCON(CC)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001119028627 827049543 /nfs/dbraw/zinc/04/95/43/827049543.db2.gz TUAHZFGXKPECIY-ZIAGYGMSSA-N 2 0 328.457 -0.016 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC001119295201 827097642 /nfs/dbraw/zinc/09/76/42/827097642.db2.gz SNCDUBZWGHRTAF-CFVMTHIKSA-N 2 0 340.468 -0.276 20 0 EBADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001119356103 827101164 /nfs/dbraw/zinc/10/11/64/827101164.db2.gz BUSPWHUCLKLMRF-WDEREUQCSA-N 2 0 330.379 -0.300 20 0 EBADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC001119356102 827101294 /nfs/dbraw/zinc/10/12/94/827101294.db2.gz BUSPWHUCLKLMRF-QWRGUYRKSA-N 2 0 330.379 -0.300 20 0 EBADRP CC(C)([NH3+])CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001119365245 827103060 /nfs/dbraw/zinc/10/30/60/827103060.db2.gz LQNKPEYSOJIKEZ-CYBMUJFWSA-N 2 0 326.441 -0.401 20 0 EBADRP C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC001119402581 827105485 /nfs/dbraw/zinc/10/54/85/827105485.db2.gz QVMYXDSDCYLJPX-ONGXEEELSA-N 2 0 336.358 -0.208 20 0 EBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)CC1 ZINC001119420601 827106787 /nfs/dbraw/zinc/10/67/87/827106787.db2.gz IMKULQLZJDBYKQ-OAHLLOKOSA-N 2 0 337.468 -0.922 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1([NH2+]CC(N)=O)CCCCC1 ZINC001120147695 827177538 /nfs/dbraw/zinc/17/75/38/827177538.db2.gz TWZWOFYFSDLJNG-AWEZNQCLSA-N 2 0 340.468 -0.151 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001120377793 827202593 /nfs/dbraw/zinc/20/25/93/827202593.db2.gz PSAPQOYKRZUBMT-SOUVJXGZSA-N 2 0 340.468 -0.391 20 0 EBADRP CCO[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001120438772 827221538 /nfs/dbraw/zinc/22/15/38/827221538.db2.gz KTRYJYORUAAMBU-AWEZNQCLSA-N 2 0 328.457 -0.424 20 0 EBADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)C2(O)CC[NH+](C)CC2)C1 ZINC001182030728 833195767 /nfs/dbraw/zinc/19/57/67/833195767.db2.gz FYZGSGQJCSXZJH-AWEZNQCLSA-N 2 0 335.452 -0.140 20 0 EBADRP NC(=O)NC(=O)C[NH2+]C1CC2(CC(NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001122177638 827538078 /nfs/dbraw/zinc/53/80/78/827538078.db2.gz FVIBEYVEZGYTDJ-UHFFFAOYSA-N 2 0 337.424 -0.706 20 0 EBADRP CC[NH2+][C@H](C)C(=O)N1CCNCCN(C(=O)[C@@H](C)[NH2+]CC)CC1 ZINC001122265305 827561978 /nfs/dbraw/zinc/56/19/78/827561978.db2.gz KFFRUSUGYHGRAL-ZIAGYGMSSA-N 2 0 327.473 -0.757 20 0 EBADRP CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124866624 827969278 /nfs/dbraw/zinc/96/92/78/827969278.db2.gz HHNOJKSGTSNQPN-ZIAGYGMSSA-N 2 0 328.457 -0.282 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001124867041 827969312 /nfs/dbraw/zinc/96/93/12/827969312.db2.gz QPLZJTRMPFPWLD-ZFWWWQNUSA-N 2 0 329.441 -0.657 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)COCc1ccco1 ZINC001124867127 827969617 /nfs/dbraw/zinc/96/96/17/827969617.db2.gz SGFXEUZYSJYSDL-ZFWWWQNUSA-N 2 0 325.409 -0.043 20 0 EBADRP CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124866662 827970136 /nfs/dbraw/zinc/97/01/36/827970136.db2.gz IISLQBGEYCBMLU-AWEZNQCLSA-N 2 0 328.457 -0.282 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001124877279 827972747 /nfs/dbraw/zinc/97/27/47/827972747.db2.gz FAZNEGDNEAEULN-STQMWFEESA-N 2 0 332.470 -0.932 20 0 EBADRP CC[C@H]([NH2+]C[C@]1(C)CN(C(=O)COCC[NH+](C)C)C[C@H]1C)C(N)=O ZINC001183165217 833282317 /nfs/dbraw/zinc/28/23/17/833282317.db2.gz SIIYTCPGICKIQV-JKIFEVAISA-N 2 0 342.484 -0.097 20 0 EBADRP CC[C@@H]([NH2+]C[C@]1(C)CN(C(=O)COCC[NH+](C)C)C[C@H]1C)C(N)=O ZINC001183165216 833282460 /nfs/dbraw/zinc/28/24/60/833282460.db2.gz SIIYTCPGICKIQV-CKEIUWERSA-N 2 0 342.484 -0.097 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001183229484 833284099 /nfs/dbraw/zinc/28/40/99/833284099.db2.gz KAHWPTDAVJRAKG-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)C1(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CCC1 ZINC001183240758 833284759 /nfs/dbraw/zinc/28/47/59/833284759.db2.gz RYTDQXQWLUXSHS-GFCCVEGCSA-N 2 0 332.470 -0.790 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1)C1CC1 ZINC001183268303 833285099 /nfs/dbraw/zinc/28/50/99/833285099.db2.gz SUWBLQSNKLVOIN-CHWSQXEVSA-N 2 0 332.470 -0.934 20 0 EBADRP CN(CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)S(C)(=O)=O ZINC001183648651 833298342 /nfs/dbraw/zinc/29/83/42/833298342.db2.gz XMQAERUFYQGZCN-KGLIPLIRSA-N 2 0 346.497 -0.447 20 0 EBADRP CN(CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1)S(C)(=O)=O ZINC001183648652 833298578 /nfs/dbraw/zinc/29/85/78/833298578.db2.gz XMQAERUFYQGZCN-ZIAGYGMSSA-N 2 0 346.497 -0.447 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2cnccn2)C1)[NH+](C)C ZINC001183581857 833296094 /nfs/dbraw/zinc/29/60/94/833296094.db2.gz MYRZYRDLUOOYQL-CHWSQXEVSA-N 2 0 334.424 -0.054 20 0 EBADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001183611024 833296733 /nfs/dbraw/zinc/29/67/33/833296733.db2.gz MGJPCQAUMAUURR-UONOGXRCSA-N 2 0 340.468 -0.330 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001183760394 833305053 /nfs/dbraw/zinc/30/50/53/833305053.db2.gz XNOOERVUWSWUOI-GFCCVEGCSA-N 2 0 341.456 -0.247 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001183759028 833305059 /nfs/dbraw/zinc/30/50/59/833305059.db2.gz DUDSVLACROWCMD-LLVKDONJSA-N 2 0 327.429 -0.637 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCOCC1 ZINC001127255352 828268663 /nfs/dbraw/zinc/26/86/63/828268663.db2.gz IVQQPJUGBJRRAM-CABCVRRESA-N 2 0 338.452 -0.575 20 0 EBADRP CC(C)(C(=O)NCC[NH2+]CCN1CCNC1=O)[NH+]1CCCCC1 ZINC001127322883 828278698 /nfs/dbraw/zinc/27/86/98/828278698.db2.gz ZXCOCIPVBGKWJC-UHFFFAOYSA-N 2 0 325.457 -0.018 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127466629 828296158 /nfs/dbraw/zinc/29/61/58/828296158.db2.gz VQZDRXGRMHHORN-HIFRSBDPSA-N 2 0 340.468 -0.425 20 0 EBADRP CC(C)NC(=O)NCC[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127480046 828298081 /nfs/dbraw/zinc/29/80/81/828298081.db2.gz HNILZYIRVFKFTF-AWEZNQCLSA-N 2 0 325.457 -0.258 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C(N)=O ZINC001127571155 828303927 /nfs/dbraw/zinc/30/39/27/828303927.db2.gz MNPQKRRHYBUQIU-YUTCNCBUSA-N 2 0 326.441 -0.687 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC[C@H]2CCS(=O)(=O)C2)CC[N@@H+]1C ZINC001127638004 828310238 /nfs/dbraw/zinc/31/02/38/828310238.db2.gz DWVQZGYHUCPOKY-HZSPNIEDSA-N 2 0 331.482 -0.143 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)CC[N@@H+]1C ZINC001127706568 828315859 /nfs/dbraw/zinc/31/58/59/828315859.db2.gz NKENTBRBFZWAAN-SOUVJXGZSA-N 2 0 340.468 -0.425 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)CC[N@@H+]1C ZINC001127701270 828317175 /nfs/dbraw/zinc/31/71/75/828317175.db2.gz MKAXXQOXKZZREY-MELADBBJSA-N 2 0 331.482 -0.143 20 0 EBADRP CCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127785998 828329309 /nfs/dbraw/zinc/32/93/09/828329309.db2.gz UHRZVACWBMDDBX-KGLIPLIRSA-N 2 0 347.481 -0.620 20 0 EBADRP CC(C)(C)CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127784983 828330768 /nfs/dbraw/zinc/33/07/68/828330768.db2.gz CUGRVABMXPLJKC-ZIAGYGMSSA-N 2 0 340.468 -0.282 20 0 EBADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001184432890 833329900 /nfs/dbraw/zinc/32/99/00/833329900.db2.gz ANNYWWHKEQCUQL-QJNCVLDKSA-N 2 0 339.436 -0.953 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2[NH2+]CCCO)c1 ZINC001130712566 828921175 /nfs/dbraw/zinc/92/11/75/828921175.db2.gz BEJHRPRJNZLTOP-GOEBONIOSA-N 2 0 347.463 -0.218 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001184807142 833340786 /nfs/dbraw/zinc/34/07/86/833340786.db2.gz WGTMHIDLAHPHKK-GFCCVEGCSA-N 2 0 339.440 -0.493 20 0 EBADRP O=C(C[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1)NC[C@H]1CCCO1 ZINC001130867494 828982917 /nfs/dbraw/zinc/98/29/17/828982917.db2.gz HDOGREONWOWUJP-OAHLLOKOSA-N 2 0 345.403 -0.051 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001184867390 833342231 /nfs/dbraw/zinc/34/22/31/833342231.db2.gz DKTFYYAVWAQCTH-YNEHKIRRSA-N 2 0 339.440 -0.495 20 0 EBADRP Cn1cncc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001131062152 829035392 /nfs/dbraw/zinc/03/53/92/829035392.db2.gz ZJBOKYSIDRIMNN-MGPQQGTHSA-N 2 0 348.451 -0.856 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185213211 833350289 /nfs/dbraw/zinc/35/02/89/833350289.db2.gz JDBDXDNBGNQOSX-VXGBXAGGSA-N 2 0 339.440 -0.637 20 0 EBADRP C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185381253 833357241 /nfs/dbraw/zinc/35/72/41/833357241.db2.gz OPTMBUKIRALPLW-UONOGXRCSA-N 2 0 340.468 -0.343 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185401873 833357909 /nfs/dbraw/zinc/35/79/09/833357909.db2.gz XNPKYXKMYUMMKG-QWHCGFSZSA-N 2 0 341.456 -0.249 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001185445404 833358721 /nfs/dbraw/zinc/35/87/21/833358721.db2.gz FYVCFPRDCZSPRD-QWHCGFSZSA-N 2 0 341.456 -0.403 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)COCC[NH+](C)C)C[C@@H]1C ZINC001185505292 833360710 /nfs/dbraw/zinc/36/07/10/833360710.db2.gz ZZPKBKZQHZWGOJ-LSDHHAIUSA-N 2 0 342.484 -0.225 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC(=O)NCC[N@@H+](C[C@@H]2CCOC2)CC1 ZINC001131381248 829120670 /nfs/dbraw/zinc/12/06/70/829120670.db2.gz KNZYBPBSUXBPOK-HNNXBMFYSA-N 2 0 340.468 -0.375 20 0 EBADRP CC(C)C[N@@H+]1CCNC(=O)CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001131393222 829129571 /nfs/dbraw/zinc/12/95/71/829129571.db2.gz QAZWXOARMQAGSF-UHFFFAOYSA-N 2 0 342.484 -0.129 20 0 EBADRP CN1CCC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1=O ZINC001131519669 829151225 /nfs/dbraw/zinc/15/12/25/829151225.db2.gz IVKPTIKUYBZVGT-DLOXAQCQSA-N 2 0 336.436 -0.824 20 0 EBADRP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519899 829152107 /nfs/dbraw/zinc/15/21/07/829152107.db2.gz NBAKFZZQWPCQLR-XCCIUEIHSA-N 2 0 338.452 -0.530 20 0 EBADRP C[N@H+](CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)CC(C)(C)C ZINC001185722910 833368217 /nfs/dbraw/zinc/36/82/17/833368217.db2.gz DYODBTXEHHQFKO-LLVKDONJSA-N 2 0 327.429 -0.650 20 0 EBADRP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519897 829152815 /nfs/dbraw/zinc/15/28/15/829152815.db2.gz NBAKFZZQWPCQLR-PEUXKQIOSA-N 2 0 338.452 -0.530 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790202 829217770 /nfs/dbraw/zinc/21/77/70/829217770.db2.gz IGTGFBDZGPALRO-MRXNPFEDSA-N 2 0 340.468 -0.281 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790267 829217981 /nfs/dbraw/zinc/21/79/81/829217981.db2.gz KGRUFSPFXBNRGX-CYBMUJFWSA-N 2 0 325.413 -0.978 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1)C(=O)NC(N)=O ZINC001131790316 829218125 /nfs/dbraw/zinc/21/81/25/829218125.db2.gz LHGABWCPBCXDAS-JQWIXIFHSA-N 2 0 325.413 -0.850 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131844858 829243115 /nfs/dbraw/zinc/24/31/15/829243115.db2.gz OHPWDNGRIGJFBD-UHFFFAOYSA-N 2 0 348.513 -0.104 20 0 EBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)C[NH+]1CC[C@H](O)C1)CC2 ZINC001186036665 833385110 /nfs/dbraw/zinc/38/51/10/833385110.db2.gz BTYMXJBNOYUXGI-AWEZNQCLSA-N 2 0 338.452 -0.744 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001186451423 833401989 /nfs/dbraw/zinc/40/19/89/833401989.db2.gz GBQNPCRTRBTMHZ-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001186496281 833403401 /nfs/dbraw/zinc/40/34/01/833403401.db2.gz BTDYYVVLSDJYCJ-CYBMUJFWSA-N 2 0 339.440 -0.539 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001186497128 833403579 /nfs/dbraw/zinc/40/35/79/833403579.db2.gz XSQMKLTYADVEOM-NWDGAFQWSA-N 2 0 327.429 -0.637 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001132283768 829405820 /nfs/dbraw/zinc/40/58/20/829405820.db2.gz IFGCEDMDNOGQFD-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP NC(=O)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC12CCOCC2 ZINC001186552278 833405705 /nfs/dbraw/zinc/40/57/05/833405705.db2.gz FJSDZXBRHZNYCP-AWEZNQCLSA-N 2 0 338.452 -0.588 20 0 EBADRP CCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001186615787 833408877 /nfs/dbraw/zinc/40/88/77/833408877.db2.gz JRPKZERJIVYKHA-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001132737841 829511918 /nfs/dbraw/zinc/51/19/18/829511918.db2.gz RNPLKAOYPMIHTE-AWEZNQCLSA-N 2 0 348.513 -0.294 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCOC[C@H]2CCCO2)C1 ZINC001132848463 829535445 /nfs/dbraw/zinc/53/54/45/829535445.db2.gz IOOWMUVGOMEBCB-CVEARBPZSA-N 2 0 343.468 -0.003 20 0 EBADRP COc1ccc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)nn1 ZINC001132858698 829539852 /nfs/dbraw/zinc/53/98/52/829539852.db2.gz FYMAYMZBOXZQPX-CQSZACIVSA-N 2 0 337.424 -0.200 20 0 EBADRP COCCS(=O)(=O)CCC[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133051444 829577973 /nfs/dbraw/zinc/57/79/73/829577973.db2.gz GKDRVQKVMGJZOG-UHFFFAOYSA-N 2 0 337.486 -0.515 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001133178251 829598708 /nfs/dbraw/zinc/59/87/08/829598708.db2.gz NLJHVHXGWUNVEL-OLZOCXBDSA-N 2 0 341.456 -0.403 20 0 EBADRP C[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)CC1 ZINC001133282047 829615128 /nfs/dbraw/zinc/61/51/28/829615128.db2.gz YPBVYUIOFQNIBN-CYBMUJFWSA-N 2 0 326.441 -0.813 20 0 EBADRP Cc1cc(N2CC[C@@H]([NH2+]CCNC(=O)CC[NH+](C)C)C2=O)n(C)n1 ZINC001133290994 829616274 /nfs/dbraw/zinc/61/62/74/829616274.db2.gz HAVZZNPFGOJUMB-CYBMUJFWSA-N 2 0 336.440 -0.509 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001186824736 833431429 /nfs/dbraw/zinc/43/14/29/833431429.db2.gz JACSPLKGRMDBMX-GFCCVEGCSA-N 2 0 327.429 -0.636 20 0 EBADRP CC(C)[C@H](C(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)[NH+](C)C ZINC001133419274 829630342 /nfs/dbraw/zinc/63/03/42/829630342.db2.gz KWUINHISXIFXOL-ZIAGYGMSSA-N 2 0 348.513 -0.440 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133434416 829630909 /nfs/dbraw/zinc/63/09/09/829630909.db2.gz PUYDTNNTNICZJB-ZIAGYGMSSA-N 2 0 330.473 -0.180 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+]CCNS(=O)(=O)CC)[NH+](CC)CC ZINC001133690196 829662197 /nfs/dbraw/zinc/66/21/97/829662197.db2.gz JCZIGPKMYNSLDN-CYBMUJFWSA-N 2 0 336.502 -0.248 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+]CCOCCNC(C)=O)[NH+](CC)CC ZINC001133690193 829662258 /nfs/dbraw/zinc/66/22/58/829662258.db2.gz JCQXIQMPRPMDLO-OAHLLOKOSA-N 2 0 330.473 -0.035 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC)[NH+](CC)CC ZINC001133690104 829662321 /nfs/dbraw/zinc/66/23/21/829662321.db2.gz HWHCJHJXMOVCQW-RYUDHWBXSA-N 2 0 329.445 -0.343 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001133819853 829679532 /nfs/dbraw/zinc/67/95/32/829679532.db2.gz PPZSEAFVENFGGN-NSHDSACASA-N 2 0 325.413 -0.835 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001133845822 829685423 /nfs/dbraw/zinc/68/54/23/829685423.db2.gz OBVFMLKLZBDQAN-GFCCVEGCSA-N 2 0 341.456 -0.342 20 0 EBADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001133849644 829686171 /nfs/dbraw/zinc/68/61/71/829686171.db2.gz BDRSXRULAQDBOX-CQSZACIVSA-N 2 0 331.392 -0.900 20 0 EBADRP CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133851057 829686613 /nfs/dbraw/zinc/68/66/13/829686613.db2.gz VYOUUTBYIJJGEE-GJZGRUSLSA-N 2 0 342.484 -0.035 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001133849716 829686715 /nfs/dbraw/zinc/68/67/15/829686715.db2.gz CKNHQYMOCDCUKJ-UONOGXRCSA-N 2 0 326.441 -0.813 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001133849715 829686907 /nfs/dbraw/zinc/68/69/07/829686907.db2.gz CKNHQYMOCDCUKJ-KGLIPLIRSA-N 2 0 326.441 -0.813 20 0 EBADRP COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133862042 829688404 /nfs/dbraw/zinc/68/84/04/829688404.db2.gz AJCSOUADMZXACE-KBPBESRZSA-N 2 0 349.497 -0.659 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133865471 829689594 /nfs/dbraw/zinc/68/95/94/829689594.db2.gz DILUOIFUVYDCBC-STQMWFEESA-N 2 0 341.456 -0.484 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1nncs1 ZINC001133870728 829690523 /nfs/dbraw/zinc/69/05/23/829690523.db2.gz VQMCFWLXBXATRM-ZJUUUORDSA-N 2 0 326.426 -0.620 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001133896274 829695338 /nfs/dbraw/zinc/69/53/38/829695338.db2.gz GLCGWHSWSAEDAA-CQSZACIVSA-N 2 0 340.468 -0.423 20 0 EBADRP C[N@H+](CC(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1)CC(C)(C)C ZINC001133918149 829700140 /nfs/dbraw/zinc/70/01/40/829700140.db2.gz RJEOMNHMUISFMZ-CQSZACIVSA-N 2 0 325.457 -0.072 20 0 EBADRP C[C@H](COCC(=O)NCC[NH2+][C@H]1CCCN(C)C1=O)[NH+]1CCCC1 ZINC001134021114 829713498 /nfs/dbraw/zinc/71/34/98/829713498.db2.gz RNWGXRDRGNUMGQ-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](COCC(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1)[NH+]1CCCC1 ZINC001134021107 829713614 /nfs/dbraw/zinc/71/36/14/829713614.db2.gz RHQHKHRLNDHNRP-ZIAGYGMSSA-N 2 0 340.468 -0.140 20 0 EBADRP CCN1CC[C@H]([NH2+]CCNC(=O)COC[C@@H](C)[NH+]2CCCC2)C1=O ZINC001134021228 829714456 /nfs/dbraw/zinc/71/44/56/829714456.db2.gz VNTZHQOBQIATIC-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583193 829797046 /nfs/dbraw/zinc/79/70/46/829797046.db2.gz GTUYRNZDMKMEBU-NWDGAFQWSA-N 2 0 338.456 -0.034 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134611726 829804692 /nfs/dbraw/zinc/80/46/92/829804692.db2.gz AWTQRIYPBAHNHB-NEPJUHHUSA-N 2 0 341.456 -0.201 20 0 EBADRP C[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCOCC1)[NH+]1CCCCCC1 ZINC001134756215 829839711 /nfs/dbraw/zinc/83/97/11/829839711.db2.gz AIHHUMUPPGNZPF-HNNXBMFYSA-N 2 0 340.468 -0.185 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001134768840 829843206 /nfs/dbraw/zinc/84/32/06/829843206.db2.gz GRWHSFGXAYFMEM-NWDGAFQWSA-N 2 0 327.429 -0.462 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780712 829844790 /nfs/dbraw/zinc/84/47/90/829844790.db2.gz SOXCMENAAFQOFU-UHFFFAOYSA-N 2 0 327.429 -0.730 20 0 EBADRP C[NH+]1CCC(CC(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)CC1 ZINC001134780792 829845221 /nfs/dbraw/zinc/84/52/21/829845221.db2.gz WQOMCLVZMMEVKY-UHFFFAOYSA-N 2 0 339.440 -0.588 20 0 EBADRP O=C(NCC[NH2+]CCN1C(=O)CCC1=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135102993 829898066 /nfs/dbraw/zinc/89/80/66/829898066.db2.gz RUGHVKZNXDDXHV-UONOGXRCSA-N 2 0 336.436 -0.142 20 0 EBADRP COc1nccc(C[NH2+]CCNC(=O)c2cnn(CC[NH+](C)C)c2)n1 ZINC001135114794 829899063 /nfs/dbraw/zinc/89/90/63/829899063.db2.gz NLYLLJOQRYZBLO-UHFFFAOYSA-N 2 0 347.423 -0.237 20 0 EBADRP CN1CCC[C@H]([NH2+]CCNC(=O)c2cnn(CC[NH+](C)C)c2)C1=O ZINC001135118701 829899985 /nfs/dbraw/zinc/89/99/85/829899985.db2.gz QAKAABZSQOMJQA-AWEZNQCLSA-N 2 0 336.440 -0.615 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NCC[NH2+]CCNC(=O)C2CC2)cn1 ZINC001135118078 829899995 /nfs/dbraw/zinc/89/99/95/829899995.db2.gz FXONSJMJWNDSDM-UHFFFAOYSA-N 2 0 336.440 -0.710 20 0 EBADRP CCN1CC[C@H]([NH2+]CCNC(=O)c2cnn(CC[NH+](C)C)c2)C1=O ZINC001135118715 829900182 /nfs/dbraw/zinc/90/01/82/829900182.db2.gz QNBLYAVOPSOBHE-AWEZNQCLSA-N 2 0 336.440 -0.615 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)[NH2+]CCNS(C)(=O)=O ZINC001135315437 829944009 /nfs/dbraw/zinc/94/40/09/829944009.db2.gz OMMRYKDVBHKGBW-OLZOCXBDSA-N 2 0 336.502 -0.250 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CCC[NH+](C)C ZINC001135314642 829944021 /nfs/dbraw/zinc/94/40/21/829944021.db2.gz DVJHVMKQUMFKCB-VXGBXAGGSA-N 2 0 326.445 -0.177 20 0 EBADRP C[NH+](C)Cc1ccc(C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)cc1 ZINC001135334796 829946965 /nfs/dbraw/zinc/94/69/65/829946965.db2.gz VTZPAYKVJGGGDH-CQSZACIVSA-N 2 0 332.404 -0.127 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135372621 829955228 /nfs/dbraw/zinc/95/52/28/829955228.db2.gz RQMWBDBATSBAGH-KBPBESRZSA-N 2 0 330.473 -0.036 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CCN1C(=O)CCC1=O)NC(=O)CC[NH+](C)C ZINC001135380260 829956713 /nfs/dbraw/zinc/95/67/13/829956713.db2.gz XJCQGJRVEIYULG-QWHCGFSZSA-N 2 0 326.441 -0.040 20 0 EBADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O)C(C)C ZINC001135478024 829974236 /nfs/dbraw/zinc/97/42/36/829974236.db2.gz TWVFIFLVRSVUEK-TZMCWYRMSA-N 2 0 326.441 -0.136 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001135706431 830013853 /nfs/dbraw/zinc/01/38/53/830013853.db2.gz UTINZUVXAGHJLU-CHWSQXEVSA-N 2 0 336.502 -0.250 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001135706433 830013883 /nfs/dbraw/zinc/01/38/83/830013883.db2.gz UTINZUVXAGHJLU-QWHCGFSZSA-N 2 0 336.502 -0.250 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)COCC[NH+](C)C)[NH2+]CCS(C)(=O)=O ZINC001135924630 830047768 /nfs/dbraw/zinc/04/77/68/830047768.db2.gz ULJIDWRPWQDZLB-OLZOCXBDSA-N 2 0 337.486 -0.518 20 0 EBADRP CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135963275 830052906 /nfs/dbraw/zinc/05/29/06/830052906.db2.gz DHEGEXJWAKVUTB-AWEZNQCLSA-N 2 0 342.484 -0.036 20 0 EBADRP CN(C(=O)C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001135960111 830053437 /nfs/dbraw/zinc/05/34/37/830053437.db2.gz YXGOYFCYQOSBFR-UHFFFAOYSA-N 2 0 326.441 -0.576 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001135978960 830056729 /nfs/dbraw/zinc/05/67/29/830056729.db2.gz AACNVEYGQATGRI-OLZOCXBDSA-N 2 0 341.456 -0.247 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001211285694 837421367 /nfs/dbraw/zinc/42/13/67/837421367.db2.gz QZKAISWCJRGHKS-ZDUSSCGKSA-N 2 0 334.486 -0.544 20 0 EBADRP CCOC(=O)CC1([NH3+])CCN(C(=O)CC[NH+]2CCN(C)CC2)CC1 ZINC001143238272 830146128 /nfs/dbraw/zinc/14/61/28/830146128.db2.gz KEJIHQUSRLQSEF-UHFFFAOYSA-N 2 0 340.468 -0.103 20 0 EBADRP COc1cccc(C[C@H]([NH3+])C(=O)NCCN(CC[NH3+])N(O)N=O)c1 ZINC001144945842 830171707 /nfs/dbraw/zinc/17/17/07/830171707.db2.gz SILHQCNBUTXSOK-ZDUSSCGKSA-N 2 0 340.384 -0.771 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146341539 830193411 /nfs/dbraw/zinc/19/34/11/830193411.db2.gz ZDWZHFRLCRQOKU-OLZOCXBDSA-N 2 0 341.456 -0.199 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146341536 830193763 /nfs/dbraw/zinc/19/37/63/830193763.db2.gz ZDWZHFRLCRQOKU-CHWSQXEVSA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)C[NH+]1CCCC1 ZINC001146409176 830197363 /nfs/dbraw/zinc/19/73/63/830197363.db2.gz VGCYMYYKZJBUJY-QWHCGFSZSA-N 2 0 334.486 -0.496 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001146746322 830225291 /nfs/dbraw/zinc/22/52/91/830225291.db2.gz FFUPSUJHYKLFLR-UHFFFAOYSA-N 2 0 327.429 -0.636 20 0 EBADRP CC[N@H+](C)[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)c1ccccc1 ZINC001147466812 830348223 /nfs/dbraw/zinc/34/82/23/830348223.db2.gz XFMUUWRMVOUPBF-GXTWGEPZSA-N 2 0 349.435 -0.031 20 0 EBADRP CC[N@H+](C)[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)c1ccccc1 ZINC001147466814 830348769 /nfs/dbraw/zinc/34/87/69/830348769.db2.gz XFMUUWRMVOUPBF-OCCSQVGLSA-N 2 0 349.435 -0.031 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC(=O)NCc1ccco1 ZINC001147842419 830420060 /nfs/dbraw/zinc/42/00/60/830420060.db2.gz WVHVQMJHRDUTJE-UHFFFAOYSA-N 2 0 326.397 -0.820 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CCNC(=O)NC(C)(C)C ZINC001147848352 830420756 /nfs/dbraw/zinc/42/07/56/830420756.db2.gz LPORGIXCKXFADK-UHFFFAOYSA-N 2 0 331.461 -0.632 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]CC(=O)Nc2nncs2)C1 ZINC001147884559 830425130 /nfs/dbraw/zinc/42/51/30/830425130.db2.gz FRBZRDSSMIOUHU-SNVBAGLBSA-N 2 0 326.426 -0.476 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001147900769 830428062 /nfs/dbraw/zinc/42/80/62/830428062.db2.gz VOYAUKKMUVGLBB-ZIAGYGMSSA-N 2 0 326.441 -0.813 20 0 EBADRP CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900198 830428924 /nfs/dbraw/zinc/42/89/24/830428924.db2.gz JNASFKIDUSTFND-HUUCEWRRSA-N 2 0 342.484 -0.035 20 0 EBADRP COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977184 830434302 /nfs/dbraw/zinc/43/43/02/830434302.db2.gz MIFOTJREEDTJAQ-KBPBESRZSA-N 2 0 329.441 -0.800 20 0 EBADRP CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147994788 830434843 /nfs/dbraw/zinc/43/48/43/830434843.db2.gz OSJHYTFJPLHINZ-UHFFFAOYSA-N 2 0 348.451 -0.820 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001148051557 830444479 /nfs/dbraw/zinc/44/44/79/830444479.db2.gz OEWIQWRRZXKFRT-LBPRGKRZSA-N 2 0 340.449 -0.098 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC2(C1)CC[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001148469584 830492378 /nfs/dbraw/zinc/49/23/78/830492378.db2.gz OAYWJQNHBMFGRY-ZDUSSCGKSA-N 2 0 336.436 -0.332 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001148578155 830511896 /nfs/dbraw/zinc/51/18/96/830511896.db2.gz PDXKSONIGCQYBA-HOTGVXAUSA-N 2 0 345.484 -0.019 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001148578506 830512760 /nfs/dbraw/zinc/51/27/60/830512760.db2.gz VOLOVYSGCGEOOO-LBPRGKRZSA-N 2 0 341.456 -0.199 20 0 EBADRP CN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148605336 830516300 /nfs/dbraw/zinc/51/63/00/830516300.db2.gz OBAUIWZFRYTHKX-UHFFFAOYSA-N 2 0 326.441 -0.813 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001148655845 830524956 /nfs/dbraw/zinc/52/49/56/830524956.db2.gz SSBPOYANURRULX-HUUCEWRRSA-N 2 0 331.457 -0.410 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC2(C1)CC[NH+]([C@H]1CCC(=O)NC1=O)C2 ZINC001148838878 830546571 /nfs/dbraw/zinc/54/65/71/830546571.db2.gz FYOVBYHBVBSKHG-ZDUSSCGKSA-N 2 0 336.436 -0.334 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH+](CCOCCO)CCCO1 ZINC001149888006 830775887 /nfs/dbraw/zinc/77/58/87/830775887.db2.gz ITSPZOZPMQWCSN-HOTGVXAUSA-N 2 0 343.468 -0.313 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1C[N@H+](CCN2CCNC2=O)CCCO1 ZINC001150242510 830847641 /nfs/dbraw/zinc/84/76/41/830847641.db2.gz YSQPVNVAQWZWGL-AWEZNQCLSA-N 2 0 341.456 -0.830 20 0 EBADRP C[C@@H](COCC(=O)NC[C@H]1C[N@H+](CCO)CCCO1)[NH+]1CCCC1 ZINC001150334340 830866501 /nfs/dbraw/zinc/86/65/01/830866501.db2.gz VCOULKFBIGOSPM-HOTGVXAUSA-N 2 0 343.468 -0.313 20 0 EBADRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COC)CCCO1)[NH+](C)C ZINC001150350776 830870750 /nfs/dbraw/zinc/87/07/50/830870750.db2.gz OHPCEENIWBOSNC-KFWWJZLASA-N 2 0 331.457 -0.459 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](CCOCCO)CCCO2)C1 ZINC001150699079 830963296 /nfs/dbraw/zinc/96/32/96/830963296.db2.gz FGVXTEQWDROTJO-LSDHHAIUSA-N 2 0 329.441 -0.846 20 0 EBADRP COCCOCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001150699835 830965160 /nfs/dbraw/zinc/96/51/60/830965160.db2.gz NZXKOXRBKIGJHB-JKSUJKDBSA-N 2 0 343.468 -0.192 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)s1 ZINC001151049838 831017290 /nfs/dbraw/zinc/01/72/90/831017290.db2.gz ZWLNVYQKMPCPBK-JTQLQIEISA-N 2 0 326.426 -0.557 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCOC[C@@H]2C2CC2)C1 ZINC001151058120 831017537 /nfs/dbraw/zinc/01/75/37/831017537.db2.gz WOQVJLAJRNTQNF-LSDHHAIUSA-N 2 0 338.452 -0.719 20 0 EBADRP Cn1ccc(N2CCC[C@H]([NH2+]CCNC(=O)[C@H]3CC[N@H+](C)C3)C2=O)n1 ZINC001151066480 831021247 /nfs/dbraw/zinc/02/12/47/831021247.db2.gz VFAVWJCXHSMNQG-KBPBESRZSA-N 2 0 348.451 -0.427 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001151152492 831031043 /nfs/dbraw/zinc/03/10/43/831031043.db2.gz UZLIYDQXMHPWHB-CYBMUJFWSA-N 2 0 326.441 -0.813 20 0 EBADRP CCN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151156382 831033453 /nfs/dbraw/zinc/03/34/53/831033453.db2.gz BEIPTSWXIBHTKS-LSDHHAIUSA-N 2 0 342.484 -0.083 20 0 EBADRP CC(C)[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151156394 831033596 /nfs/dbraw/zinc/03/35/96/831033596.db2.gz BLXCGTVYAYXWHT-LSDHHAIUSA-N 2 0 342.484 -0.179 20 0 EBADRP CC(C)N(C)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151156494 831034025 /nfs/dbraw/zinc/03/40/25/831034025.db2.gz DOWKHRAAIXEORH-LSDHHAIUSA-N 2 0 342.484 -0.084 20 0 EBADRP CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151156991 831034222 /nfs/dbraw/zinc/03/42/22/831034222.db2.gz IQDJSSLPUIXXNP-LSDHHAIUSA-N 2 0 342.484 -0.179 20 0 EBADRP CCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151156487 831035315 /nfs/dbraw/zinc/03/53/15/831035315.db2.gz DOUWGVWJPWCQPX-CABCVRRESA-N 2 0 342.484 -0.035 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)CCC[NH+]1CCCCC1 ZINC001151362468 831061338 /nfs/dbraw/zinc/06/13/38/831061338.db2.gz WHNRDZBLYXZQRN-MRXNPFEDSA-N 2 0 345.484 -0.018 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)CCC[NH+]1CCCCC1 ZINC001151361643 831061720 /nfs/dbraw/zinc/06/17/20/831061720.db2.gz LLHYOYKIXLLJMZ-UHFFFAOYSA-N 2 0 327.429 -0.586 20 0 EBADRP COCCC1(NC(=O)COCC[NH+](C)C)CC[NH+](CCCO)CC1 ZINC001151392982 831069500 /nfs/dbraw/zinc/06/95/00/831069500.db2.gz WDGJEEVZHAJSCF-UHFFFAOYSA-N 2 0 345.484 -0.066 20 0 EBADRP O=C(CCC[NH+]1CCCC1)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001152237284 831143543 /nfs/dbraw/zinc/14/35/43/831143543.db2.gz LQBOLAFJABQWOZ-HNNXBMFYSA-N 2 0 340.468 -0.279 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152224663 831143972 /nfs/dbraw/zinc/14/39/72/831143972.db2.gz ZUBRCETWEODENA-UHFFFAOYSA-N 2 0 328.457 -0.279 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001152432509 831162891 /nfs/dbraw/zinc/16/28/91/831162891.db2.gz IXEBJIQKRWHVPF-CQSZACIVSA-N 2 0 331.457 -0.411 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O ZINC001152432550 831163350 /nfs/dbraw/zinc/16/33/50/831163350.db2.gz KPNZPTCVYPUYLX-ZDUSSCGKSA-N 2 0 336.440 -0.429 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001152445876 831164439 /nfs/dbraw/zinc/16/44/39/831164439.db2.gz QCHBFGDDPRGJAR-CQSZACIVSA-N 2 0 328.457 -0.281 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001152457705 831165418 /nfs/dbraw/zinc/16/54/18/831165418.db2.gz HINYCGFUGSYMGS-LBPRGKRZSA-N 2 0 325.413 -0.882 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001152459030 831165533 /nfs/dbraw/zinc/16/55/33/831165533.db2.gz WZZRYAKQEGRSAF-LSDHHAIUSA-N 2 0 340.468 -0.281 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152479532 831166397 /nfs/dbraw/zinc/16/63/97/831166397.db2.gz HAESWKWCIRMVNB-JKSUJKDBSA-N 2 0 345.484 -0.164 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)CCCC[NH+]1CCCC1 ZINC001153314121 831221502 /nfs/dbraw/zinc/22/15/02/831221502.db2.gz GEUMYONCVSKBIL-UHFFFAOYSA-N 2 0 348.513 -0.102 20 0 EBADRP CC[N@H+](C[C@@H](O)COCCOC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001154639667 831355533 /nfs/dbraw/zinc/35/55/33/831355533.db2.gz PAIMAWQWWNUDHM-BZUAXINKSA-N 2 0 345.484 -0.069 20 0 EBADRP CC[N@H+](CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155004987 831379952 /nfs/dbraw/zinc/37/99/52/831379952.db2.gz BZJVFPIBPZYENC-GFCCVEGCSA-N 2 0 327.429 -0.684 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCc1cccnc1 ZINC001155789250 831429041 /nfs/dbraw/zinc/42/90/41/831429041.db2.gz CNKDDBHHCUGQTP-HNNXBMFYSA-N 2 0 333.436 -0.112 20 0 EBADRP Cn1ncc2c1nc(C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C)[nH]c2=O ZINC001155791783 831429992 /nfs/dbraw/zinc/42/99/92/831429992.db2.gz YJXNIJMZCSSENO-GFCCVEGCSA-N 2 0 347.423 -0.241 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155790925 831430259 /nfs/dbraw/zinc/43/02/59/831430259.db2.gz PFNRIVQJBIHGAO-ZDUSSCGKSA-N 2 0 334.486 -0.494 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@H+](CC)CCN1C(=O)CNC1=O ZINC001155900515 831439025 /nfs/dbraw/zinc/43/90/25/831439025.db2.gz WNJQYWOXDKNHGQ-CYBMUJFWSA-N 2 0 341.456 -0.293 20 0 EBADRP CS(=O)(=O)c1nc2c(c(-n3ccnc3CC[NH3+])n1)CC[NH2+]CC2 ZINC001156477745 831476804 /nfs/dbraw/zinc/47/68/04/831476804.db2.gz JEEKSCBNGSNENL-UHFFFAOYSA-N 2 0 336.421 -0.745 20 0 EBADRP Cn1cnc2c1nc(NC(=[NH2+])NCCCC[NH3+])nc2N1CCOCC1 ZINC001157093459 831533038 /nfs/dbraw/zinc/53/30/38/831533038.db2.gz BJIUYZCIDSEHCU-UHFFFAOYSA-N 2 0 347.427 -0.125 20 0 EBADRP CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001157303368 831551586 /nfs/dbraw/zinc/55/15/86/831551586.db2.gz GPQOPCZIVIQKFC-AAEUAGOBSA-N 2 0 325.413 -0.154 20 0 EBADRP CCOC(=O)CN(CCC[NH3+])c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001157548940 831578191 /nfs/dbraw/zinc/57/81/91/831578191.db2.gz AUWMBTYRKVHZQO-UHFFFAOYSA-N 2 0 349.435 -0.155 20 0 EBADRP O=C([C@H]1C[NH2+]C[C@H]1O)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001157627860 831583515 /nfs/dbraw/zinc/58/35/15/831583515.db2.gz ZJZNBOCDLTZCNW-JKSUJKDBSA-N 2 0 325.453 -0.082 20 0 EBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)CC1 ZINC001157740965 831589111 /nfs/dbraw/zinc/58/91/11/831589111.db2.gz RLBPZRYHMVWSNP-AAEUAGOBSA-N 2 0 333.429 -0.557 20 0 EBADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001157843265 831597453 /nfs/dbraw/zinc/59/74/53/831597453.db2.gz PWDKZOXTDZOEOQ-HZSPNIEDSA-N 2 0 343.493 -0.013 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001157894100 831603261 /nfs/dbraw/zinc/60/32/61/831603261.db2.gz RKZLIVAECRIGKL-CYBMUJFWSA-N 2 0 339.440 -0.493 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001157899097 831603962 /nfs/dbraw/zinc/60/39/62/831603962.db2.gz JOFWLMFRRIVXTG-QWHCGFSZSA-N 2 0 341.456 -0.201 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001157899098 831604372 /nfs/dbraw/zinc/60/43/72/831604372.db2.gz JOFWLMFRRIVXTG-STQMWFEESA-N 2 0 341.456 -0.201 20 0 EBADRP C[C@H]1CC[C@@H](CO)N1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001157914273 831607571 /nfs/dbraw/zinc/60/75/71/831607571.db2.gz INVUBYLYCIPALC-AJNGGQMLSA-N 2 0 340.468 -0.195 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158036257 831622028 /nfs/dbraw/zinc/62/20/28/831622028.db2.gz BBFPVTTVRCWODY-UONOGXRCSA-N 2 0 346.497 -0.494 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158037794 831622165 /nfs/dbraw/zinc/62/21/65/831622165.db2.gz LJTRYRJIHORDHW-CHWSQXEVSA-N 2 0 339.440 -0.588 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158040067 831623311 /nfs/dbraw/zinc/62/33/11/831623311.db2.gz VKOMZIWYLGISOT-VXGBXAGGSA-N 2 0 325.413 -0.848 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070102 831624925 /nfs/dbraw/zinc/62/49/25/831624925.db2.gz ABPPPYQKRXVPIU-KBPBESRZSA-N 2 0 340.468 -0.155 20 0 EBADRP O=C(c1cccnc1O[C@H]1CC[NH2+]C1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158101257 831628279 /nfs/dbraw/zinc/62/82/79/831628279.db2.gz IKSPRGCXTMBWKO-SJCJKPOMSA-N 2 0 345.403 -0.874 20 0 EBADRP [NH3+][C@@H](Cc1ccsc1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158111217 831628910 /nfs/dbraw/zinc/62/89/10/831628910.db2.gz LCOCFKWPCOMDBE-BLLLJJGKSA-N 2 0 334.445 -0.444 20 0 EBADRP O=C(c1ccc2c(n1)CC[NH2+]C2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119169 831629686 /nfs/dbraw/zinc/62/96/86/831629686.db2.gz GHBXFGZIRAHOST-GOSISDBHSA-N 2 0 341.415 -0.721 20 0 EBADRP O=C(c1nc2c(s1)C[NH2+]CC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158121172 831631209 /nfs/dbraw/zinc/63/12/09/831631209.db2.gz WWIBTWXIUSSORO-MRXNPFEDSA-N 2 0 347.444 -0.660 20 0 EBADRP O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCC[C@]12CCC[NH2+]C2 ZINC001158160785 831633278 /nfs/dbraw/zinc/63/32/78/831633278.db2.gz MCRZCYCLNGVENJ-BBRMVZONSA-N 2 0 345.451 -0.331 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158168738 831635040 /nfs/dbraw/zinc/63/50/40/831635040.db2.gz YMVPZBWSSCDOLO-RFQIPJPRSA-N 2 0 326.441 -0.689 20 0 EBADRP O=C(NCCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001158196813 831638652 /nfs/dbraw/zinc/63/86/52/831638652.db2.gz OJGPSBWZSYGKGK-ZFWWWQNUSA-N 2 0 343.493 -0.141 20 0 EBADRP O=C([C@@H]1C[NH2+]C[C@H]2CCO[C@H]21)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277951 831642712 /nfs/dbraw/zinc/64/27/12/831642712.db2.gz YNUCPJYEDRTXGZ-UMVBOHGHSA-N 2 0 346.435 -0.677 20 0 EBADRP CCn1ncnc1C[NH2+]CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001158274818 831642785 /nfs/dbraw/zinc/64/27/85/831642785.db2.gz FZYVLHFSXXPUIS-UHFFFAOYSA-N 2 0 348.455 -0.034 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277940 831642920 /nfs/dbraw/zinc/64/29/20/831642920.db2.gz YBCNFDODVJOSJF-ZDUSSCGKSA-N 3 0 335.456 -0.455 20 0 EBADRP C[NH2+][C@H]1CCCN(CC(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)C1 ZINC001158277129 831643113 /nfs/dbraw/zinc/64/31/13/831643113.db2.gz JNIUIDSPTIHOQV-AWEZNQCLSA-N 2 0 347.467 -0.617 20 0 EBADRP O=C(c1ncn2c1C[NH2+]CC2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158286161 831644170 /nfs/dbraw/zinc/64/41/70/831644170.db2.gz RFAINNMCNVKCNQ-UHFFFAOYSA-N 2 0 342.407 -0.688 20 0 EBADRP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158327680 831646967 /nfs/dbraw/zinc/64/69/67/831646967.db2.gz MJGIPPSYPUDUIG-XHSDSOJGSA-N 2 0 328.416 -0.585 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158380249 831650048 /nfs/dbraw/zinc/65/00/48/831650048.db2.gz NRXXADHNRUFWCU-QLFBSQMISA-N 2 0 331.457 -0.554 20 0 EBADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158414819 831652453 /nfs/dbraw/zinc/65/24/53/831652453.db2.gz IITSDXDCSZXTBB-SCRDCRAPSA-N 2 0 332.408 -0.723 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158421309 831653526 /nfs/dbraw/zinc/65/35/26/831653526.db2.gz UFQXPJGTRLMXKP-JHJVBQTASA-N 2 0 341.456 -0.343 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCCO2)CC[N@@H+]1C ZINC001158428768 831654769 /nfs/dbraw/zinc/65/47/69/831654769.db2.gz ROTVDRSGKNHXAE-RBSFLKMASA-N 2 0 340.468 -0.282 20 0 EBADRP CCN(CC)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158486624 831659861 /nfs/dbraw/zinc/65/98/61/831659861.db2.gz PTEROGGKIIYRDN-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158487362 831659948 /nfs/dbraw/zinc/65/99/48/831659948.db2.gz YQJXGOCMVWUQCB-KBPBESRZSA-N 2 0 326.441 -0.530 20 0 EBADRP CC(C)(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158486892 831660142 /nfs/dbraw/zinc/66/01/42/831660142.db2.gz UIIJXSNBIGMASS-KBPBESRZSA-N 2 0 340.468 -0.140 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001158497511 831660692 /nfs/dbraw/zinc/66/06/92/831660692.db2.gz ASHNQMBWCPXSDP-ZDEQEGDKSA-N 2 0 327.425 -0.119 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C[C@H]1C[NH2+]CC1(F)F ZINC001158499101 831661227 /nfs/dbraw/zinc/66/12/27/831661227.db2.gz WIVGBWRRZNGIKJ-FIQHERPVSA-N 2 0 331.363 -0.017 20 0 EBADRP O=C(NCCC[NH2+]Cc1cnns1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158508870 831661986 /nfs/dbraw/zinc/66/19/86/831661986.db2.gz XHOFPOWLAZFMSW-YPMHNXCESA-N 2 0 325.438 -0.003 20 0 EBADRP COCCOCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158508896 831662322 /nfs/dbraw/zinc/66/23/22/831662322.db2.gz YBBYHRVDFXFRFR-GJZGRUSLSA-N 2 0 329.441 -0.392 20 0 EBADRP O=C(C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158532368 831663123 /nfs/dbraw/zinc/66/31/23/831663123.db2.gz AXMAWSUEMICKSF-RZXAWCDISA-N 2 0 335.448 -0.020 20 0 EBADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)C[C@H](O)C[NH3+])CC2)CC1 ZINC001158514408 831663245 /nfs/dbraw/zinc/66/32/45/831663245.db2.gz XDCNNDZUOWMPOZ-HNNXBMFYSA-N 2 0 341.452 -0.038 20 0 EBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158533528 831664284 /nfs/dbraw/zinc/66/42/84/831664284.db2.gz NHLPFOTWJPINGH-ZXFNITATSA-N 3 0 334.464 -0.160 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCOCCO ZINC001158750517 831682853 /nfs/dbraw/zinc/68/28/53/831682853.db2.gz LAGIJXNGYRXWKV-MRXNPFEDSA-N 2 0 345.484 -0.114 20 0 EBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC2 ZINC001158890655 831694083 /nfs/dbraw/zinc/69/40/83/831694083.db2.gz JPQLLYVSRPAKOU-CYBMUJFWSA-N 3 0 325.457 -0.744 20 0 EBADRP O=C([C@H]1C[NH2+]CCN1)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158903238 831694501 /nfs/dbraw/zinc/69/45/01/831694501.db2.gz MWUBIFAMDJWUAM-DXCKQFNASA-N 2 0 349.410 -0.364 20 0 EBADRP [NH3+]CCNCC(=O)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158903044 831695078 /nfs/dbraw/zinc/69/50/78/831695078.db2.gz MBQOATRATDTSLG-LRDDRELGSA-N 2 0 337.399 -0.377 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001158968809 831698530 /nfs/dbraw/zinc/69/85/30/831698530.db2.gz YWPJIMBPVJPGDB-ZNMIVQPWSA-N 2 0 348.451 -0.390 20 0 EBADRP CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@@H]21 ZINC001159048565 831705354 /nfs/dbraw/zinc/70/53/54/831705354.db2.gz ULFASQUQVDCOPM-APIJFGDWSA-N 2 0 340.468 -0.216 20 0 EBADRP COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@H]1CC[C@@H]1[NH3+] ZINC001159077614 831706661 /nfs/dbraw/zinc/70/66/61/831706661.db2.gz RLTCSXLBKHQTMQ-FHIRATQRSA-N 2 0 339.436 -0.021 20 0 EBADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@]23C[NH2+]C[C@H]2CCN3)C1 ZINC001159134361 831711565 /nfs/dbraw/zinc/71/15/65/831711565.db2.gz NBXFXCVUIATPNR-JJRVBVJISA-N 2 0 332.452 -0.645 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001159154687 831712919 /nfs/dbraw/zinc/71/29/19/831712919.db2.gz BBCRMVOWBFKWCA-NSHDSACASA-N 2 0 330.408 -0.616 20 0 EBADRP Cc1c(CC[NH3+])c(=O)[nH]n1-c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001159300175 831736380 /nfs/dbraw/zinc/73/63/80/831736380.db2.gz UBDMTPNIOAPJFV-UHFFFAOYSA-N 2 0 330.392 -0.172 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001159335230 831741397 /nfs/dbraw/zinc/74/13/97/831741397.db2.gz WBJPARLQFQEWBH-CYBMUJFWSA-N 2 0 334.486 -0.494 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2COC[C@]2(c2nc(C)no2)C1 ZINC001159472109 831755760 /nfs/dbraw/zinc/75/57/60/831755760.db2.gz POGHVAUBVZXZLE-DVOMOZLQSA-N 2 0 337.424 -0.179 20 0 EBADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H]1C[C@H]([NH3+])CN1)C2 ZINC001159481497 831756095 /nfs/dbraw/zinc/75/60/95/831756095.db2.gz RONPJJOOGIRGMX-MUQADHOPSA-N 2 0 336.480 -0.118 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001159532521 831759235 /nfs/dbraw/zinc/75/92/35/831759235.db2.gz FCPPDIODDWQLLA-FGTMMUONSA-N 2 0 346.475 -0.059 20 0 EBADRP N[C@@]1(C(=O)N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)CC[NH2+]C1 ZINC001159560951 831762201 /nfs/dbraw/zinc/76/22/01/831762201.db2.gz RDRFYAYTDRWGKV-KRWDZBQOSA-N 2 0 332.452 -0.052 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001159623318 831766740 /nfs/dbraw/zinc/76/67/40/831766740.db2.gz CZWSDGOUWZZJIO-AAVRWANBSA-N 2 0 340.424 -0.635 20 0 EBADRP [NH3+]CCCNCC(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159668136 831771342 /nfs/dbraw/zinc/77/13/42/831771342.db2.gz WJHAWMSHUZWDJW-SJORKVTESA-N 2 0 347.463 -0.178 20 0 EBADRP [NH3+][C@H]1CN[C@H](C(=O)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)C1 ZINC001159667155 831771621 /nfs/dbraw/zinc/77/16/21/831771621.db2.gz SZFASHQSZVCQPC-VQHPVUNQSA-N 2 0 345.447 -0.428 20 0 EBADRP O=C(N1CCCC1)C12CC(C1)CN2C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001159687861 831773316 /nfs/dbraw/zinc/77/33/16/831773316.db2.gz JESMYEWBNRHKAL-KJUJZPGYSA-N 2 0 332.448 -0.201 20 0 EBADRP C[NH+](C)C1(C(=O)NCCC[NH2+]CC(=O)NC2CCOCC2)CCC1 ZINC001159854624 831788463 /nfs/dbraw/zinc/78/84/63/831788463.db2.gz PEJOWTDCOBUHRS-UHFFFAOYSA-N 2 0 340.468 -0.138 20 0 EBADRP CC[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)C(N)=O ZINC001159868734 831789515 /nfs/dbraw/zinc/78/95/15/831789515.db2.gz KULPQIIYOOBFTL-CABCVRRESA-N 2 0 340.468 -0.010 20 0 EBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001159868739 831791155 /nfs/dbraw/zinc/79/11/55/831791155.db2.gz KWHPMPIDQVTKKV-CQSZACIVSA-N 2 0 326.441 -0.528 20 0 EBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001159868758 831791352 /nfs/dbraw/zinc/79/13/52/831791352.db2.gz LCSNTALVLKIJGD-HOTGVXAUSA-N 2 0 343.468 -0.267 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001159908711 831795733 /nfs/dbraw/zinc/79/57/33/831795733.db2.gz IXGRNFINZBQHRO-ZDUSSCGKSA-N 2 0 338.456 -0.033 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001159908710 831795931 /nfs/dbraw/zinc/79/59/31/831795931.db2.gz IXGRNFINZBQHRO-CYBMUJFWSA-N 2 0 338.456 -0.033 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159931598 831799446 /nfs/dbraw/zinc/79/94/46/831799446.db2.gz GJLNLBRJNZBUEC-HNNXBMFYSA-N 2 0 328.457 -0.425 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCCn2cnc(Cn3cccn3)c2C1 ZINC001159973546 831801987 /nfs/dbraw/zinc/80/19/87/831801987.db2.gz HPVSPWFOHHORKG-ZDUSSCGKSA-N 2 0 331.424 -0.074 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159997307 831802911 /nfs/dbraw/zinc/80/29/11/831802911.db2.gz LICDDCHVQVFRFZ-HNNXBMFYSA-N 2 0 331.457 -0.410 20 0 EBADRP C[N@H+](CC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O)C1CCC1 ZINC001160003458 831804678 /nfs/dbraw/zinc/80/46/78/831804678.db2.gz PHTMBOYRXUDARG-UHFFFAOYSA-N 2 0 325.413 -0.882 20 0 EBADRP Cc1ccc(N(C(=O)[C@@H](N)C[NH3+])[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160049498 831810264 /nfs/dbraw/zinc/81/02/64/831810264.db2.gz AABDRVDDSIJREP-HEHGZKQESA-N 2 0 334.424 -0.685 20 0 EBADRP N[C@]1(C(=O)N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)CC[NH2+]C1 ZINC001160139383 831818490 /nfs/dbraw/zinc/81/84/90/831818490.db2.gz YPWLEPRCARYKBO-JSSFPYSZSA-N 2 0 345.447 -0.128 20 0 EBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160138470 831818912 /nfs/dbraw/zinc/81/89/12/831818912.db2.gz MMFFPOPWBKOCDU-JGFGOLAASA-N 2 0 346.431 -0.096 20 0 EBADRP O=C(NC1CCC1)[C@H]1C[C@H]2CN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]2C1 ZINC001160191316 831823804 /nfs/dbraw/zinc/82/38/04/831823804.db2.gz JTLLLGKVSAEGBG-HGTKMLMNSA-N 2 0 346.475 -0.051 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001160275142 831830256 /nfs/dbraw/zinc/83/02/56/831830256.db2.gz ZVZGYHXECILMTN-HOTGVXAUSA-N 2 0 345.484 -0.019 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001160275065 831830456 /nfs/dbraw/zinc/83/04/56/831830456.db2.gz ZPDQYMJVXREMJV-OAHLLOKOSA-N 2 0 340.468 -0.185 20 0 EBADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC001160387852 831842969 /nfs/dbraw/zinc/84/29/69/831842969.db2.gz DUYCPZFLMMGSBS-ZIAGYGMSSA-N 2 0 338.452 -0.746 20 0 EBADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CCN1C(=O)CCC1=O)[NH+](C)C ZINC001160433124 831849919 /nfs/dbraw/zinc/84/99/19/831849919.db2.gz HUYNHEJBTZZHPL-HNNXBMFYSA-N 2 0 326.441 -0.183 20 0 EBADRP CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001160439566 831850760 /nfs/dbraw/zinc/85/07/60/831850760.db2.gz MGNDHIZVSNPSIJ-STQMWFEESA-N 2 0 342.440 -0.674 20 0 EBADRP COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001160493236 831856914 /nfs/dbraw/zinc/85/69/14/831856914.db2.gz LXANSHMPQHGIEP-HOSYDEDBSA-N 2 0 347.437 -0.551 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1[C@@H](C(=O)OC)CS[C@H]1C(=O)OC ZINC001160494274 831856980 /nfs/dbraw/zinc/85/69/80/831856980.db2.gz RVRYFXVYONJEGH-UMNHJUIQSA-N 2 0 347.437 -0.681 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC001160506611 831857823 /nfs/dbraw/zinc/85/78/23/831857823.db2.gz OSLKQEORUONIME-QWHCGFSZSA-N 2 0 344.481 -0.755 20 0 EBADRP [NH3+][C@H](C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1)C1CC[NH2+]CC1 ZINC001160506211 831858217 /nfs/dbraw/zinc/85/82/17/831858217.db2.gz JKXFRQCFMHJOSL-CABCVRRESA-N 2 0 338.452 -0.447 20 0 EBADRP [NH3+]C1CCN(C(=O)c2cnn3c2nccc3[C@@H]2C[NH2+]CCO2)CC1 ZINC001160523740 831859540 /nfs/dbraw/zinc/85/95/40/831859540.db2.gz FINWXMJNVRRHQD-AWEZNQCLSA-N 2 0 330.392 -0.047 20 0 EBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)n1ccc([C@@H]2CCC[NH2+]2)nc1=N ZINC001160538707 831861324 /nfs/dbraw/zinc/86/13/24/831861324.db2.gz KIKLGOJQEDAQFL-AAEUAGOBSA-N 2 0 334.424 -0.083 20 0 EBADRP CS(=O)(=O)CCCN1CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001160585968 831866951 /nfs/dbraw/zinc/86/69/51/831866951.db2.gz UUKAXQRYQGNTOB-AWEZNQCLSA-N 2 0 348.513 -0.588 20 0 EBADRP O=C([C@@H]1C[NH2+]CCN1)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160589378 831867766 /nfs/dbraw/zinc/86/77/66/831867766.db2.gz QFWIEJHTAOOLMK-ZDUSSCGKSA-N 2 0 329.404 -0.596 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001160628879 831872064 /nfs/dbraw/zinc/87/20/64/831872064.db2.gz HOMNRWPGBNDHQD-HRCADAONSA-N 4 0 325.501 -0.332 20 0 EBADRP [NH3+][C@@H]1CCN(C(=O)c2ccc3c(c2)[C@@H]2C[NH2+]C[C@@H]2NC3=O)C[C@H]1O ZINC001160655137 831876468 /nfs/dbraw/zinc/87/64/68/831876468.db2.gz HDHHLHSMKKAOGW-LJISPDSOSA-N 2 0 330.388 -0.981 20 0 EBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001160716930 831880002 /nfs/dbraw/zinc/88/00/02/831880002.db2.gz TWIABIFPCVGWAY-ZDUSSCGKSA-N 2 0 348.447 -0.094 20 0 EBADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+]2CCC1CC2 ZINC001160726794 831881092 /nfs/dbraw/zinc/88/10/92/831881092.db2.gz VHQPSKFCPAHJQF-INIZCTEOSA-N 2 0 330.432 -0.021 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCC(OCC(=O)NC2CC2)CC1 ZINC001160743340 831881750 /nfs/dbraw/zinc/88/17/50/831881750.db2.gz WDUUKWALWIYTPJ-HNNXBMFYSA-N 2 0 340.468 -0.010 20 0 EBADRP CCNC(=O)CO[C@@H]1CCCN(C(=O)[C@H](CCCC[NH3+])[NH2+]C)C1 ZINC001160746842 831881835 /nfs/dbraw/zinc/88/18/35/831881835.db2.gz NQRFBSPUQUCWOZ-KGLIPLIRSA-N 2 0 328.457 -0.153 20 0 EBADRP CCOC(=O)[C@H]1c2nc[nH]c2CCN1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001160788476 831887043 /nfs/dbraw/zinc/88/70/43/831887043.db2.gz RHPPVNBXKBOOJR-TZMCWYRMSA-N 2 0 335.408 -0.275 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)[C@H]3CC[NH2+]C[C@H]3F)C[C@H]1C[NH2+]CC2 ZINC001160814314 831890213 /nfs/dbraw/zinc/89/02/13/831890213.db2.gz YUBQZKBZQOGTDL-OQMKEHIESA-N 2 0 327.400 -0.065 20 0 EBADRP CCOC(=O)c1nc2c(o1)CCN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001160823747 831891718 /nfs/dbraw/zinc/89/17/18/831891718.db2.gz ISLDZXYPPWAIPG-SNVBAGLBSA-N 2 0 334.376 -0.455 20 0 EBADRP COC(=O)C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001160833757 831892526 /nfs/dbraw/zinc/89/25/26/831892526.db2.gz UASSSBJIXHHVMU-JSGCOSHPSA-N 2 0 326.441 -0.462 20 0 EBADRP CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1)[NH+](C)C ZINC001160883772 831903315 /nfs/dbraw/zinc/90/33/15/831903315.db2.gz UWQKXOZPYHMQOS-ZIAGYGMSSA-N 2 0 328.457 -0.282 20 0 EBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(CC1)OC(=O)c1ncccc12 ZINC001160880325 831903369 /nfs/dbraw/zinc/90/33/69/831903369.db2.gz XXVRDHLFGHUAOY-CYBMUJFWSA-N 2 0 342.399 -0.121 20 0 EBADRP Cn1ncnc1C[NH2+]CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001160951647 831909388 /nfs/dbraw/zinc/90/93/88/831909388.db2.gz MHMNAOGBNGEGGG-UHFFFAOYSA-N 2 0 338.456 -0.231 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCOC[C@H]1c1cccnc1 ZINC001160952690 831910435 /nfs/dbraw/zinc/91/04/35/831910435.db2.gz YVMBKKWYRDCXPB-HOTGVXAUSA-N 2 0 333.436 -0.268 20 0 EBADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)cc1 ZINC001161010136 831913684 /nfs/dbraw/zinc/91/36/84/831913684.db2.gz ZMKFAXPYKXGDMO-GJZGRUSLSA-N 2 0 346.431 -0.629 20 0 EBADRP O=C(C1CCN([C@H]2CC[NH2+]C2)CC1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161009309 831913725 /nfs/dbraw/zinc/91/37/25/831913725.db2.gz UKKONWCZZVQEQT-JKSUJKDBSA-N 2 0 336.480 -0.224 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])COC(C)(C)C)CC[NH2+]1 ZINC001161020956 831914545 /nfs/dbraw/zinc/91/45/45/831914545.db2.gz WAPGBOGXFXCVCJ-RDBSUJKOSA-N 2 0 340.468 -0.060 20 0 EBADRP C[N@@H+]1C[C@H](C(=O)N2CCC(C(N)=S)CC2)OC2(CC[NH2+]CC2)C1 ZINC001161030620 831915407 /nfs/dbraw/zinc/91/54/07/831915407.db2.gz CQGSBWPLLJGYKW-CYBMUJFWSA-N 2 0 340.493 -0.036 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001161041520 831916416 /nfs/dbraw/zinc/91/64/16/831916416.db2.gz JVOMHWQJGBRZGX-GJZGRUSLSA-N 2 0 340.468 -0.450 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161106962 831928255 /nfs/dbraw/zinc/92/82/55/831928255.db2.gz SCCNERPZWGNBAV-LBPRGKRZSA-N 2 0 339.440 -0.340 20 0 EBADRP CC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001161132207 831928817 /nfs/dbraw/zinc/92/88/17/831928817.db2.gz WHTDZHSYPPPWHA-CABCVRRESA-N 2 0 325.457 -0.794 20 0 EBADRP CO[C@@H](C)C1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001161146864 831931396 /nfs/dbraw/zinc/93/13/96/831931396.db2.gz SPCVLSXIBRAQGA-QEJZJMRPSA-N 2 0 340.468 -0.073 20 0 EBADRP CCOC(=O)CN(CCC[NH3+])C(=O)CNC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC001161158300 831933692 /nfs/dbraw/zinc/93/36/92/831933692.db2.gz CKWNJMFILDFRMO-FZMZJTMJSA-N 2 0 330.429 -0.784 20 0 EBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001161159139 831933851 /nfs/dbraw/zinc/93/38/51/831933851.db2.gz VRRGTZGTRZGQEQ-GJZGRUSLSA-N 2 0 340.468 -0.057 20 0 EBADRP C[C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C[C@H](C)[NH2+]1 ZINC001161229897 831938377 /nfs/dbraw/zinc/93/83/77/831938377.db2.gz ZQFDXCCPQRYANJ-AVGNSLFASA-N 2 0 329.466 -0.390 20 0 EBADRP CN(C(=O)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@H]1NC2=O)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161220314 831938562 /nfs/dbraw/zinc/93/85/62/831938562.db2.gz ACQQTUOTQUQSNH-AALSBFMBSA-N 2 0 326.400 -0.225 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001161269178 831943144 /nfs/dbraw/zinc/94/31/44/831943144.db2.gz RYMKBWBUNQVSCZ-CYBMUJFWSA-N 2 0 327.429 -0.915 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001161269180 831943225 /nfs/dbraw/zinc/94/32/25/831943225.db2.gz RYMKBWBUNQVSCZ-ZDUSSCGKSA-N 2 0 327.429 -0.915 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC[C@@H](Oc2ncccn2)C1 ZINC001161294892 831944537 /nfs/dbraw/zinc/94/45/37/831944537.db2.gz AFPOENSUUHIJBA-NEPJUHHUSA-N 2 0 325.438 -0.134 20 0 EBADRP COc1cc(C)nc(N(C(=O)[C@@]2(N)CC[NH2+]C2)C2CC[NH2+]CC2)n1 ZINC001161308434 831946085 /nfs/dbraw/zinc/94/60/85/831946085.db2.gz CNHIFRAIARHKPS-MRXNPFEDSA-N 2 0 334.424 -0.431 20 0 EBADRP Cc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC1 ZINC001161306615 831946255 /nfs/dbraw/zinc/94/62/55/831946255.db2.gz SOMZEDUWCATWIV-HNNXBMFYSA-N 2 0 331.420 -0.012 20 0 EBADRP COc1cc(C)nc(N(C(=O)[C@H]2C[NH2+]C[C@@H]2N)C2CC[NH2+]CC2)n1 ZINC001161309203 831947135 /nfs/dbraw/zinc/94/71/35/831947135.db2.gz NFBCRBFFMNAVIV-STQMWFEESA-N 2 0 334.424 -0.575 20 0 EBADRP COC(=O)[C@]1(C)COCCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001161374168 831951305 /nfs/dbraw/zinc/95/13/05/831951305.db2.gz UGAOHDCCFRBFPT-DOMZBBRYSA-N 2 0 325.409 -0.349 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[NH2+]C[C@H]3CCO[C@@H]31)CC2 ZINC001161478151 831963635 /nfs/dbraw/zinc/96/36/35/831963635.db2.gz HFCYVQPUUKBUAB-MAKQCAJESA-N 2 0 337.420 -0.636 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)c1ncn3c1C[NH2+]CC3)CC2 ZINC001161484139 831965074 /nfs/dbraw/zinc/96/50/74/831965074.db2.gz UGNUAIAWNPPYBL-BLLLJJGKSA-N 2 0 333.392 -0.647 20 0 EBADRP C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H]([NH3+])CCCNC(=O)c2cnccn2)C1 ZINC001161488489 831965335 /nfs/dbraw/zinc/96/53/35/831965335.db2.gz CTKOYNNXVPFKSA-GUYCJALGSA-N 2 0 348.451 -0.099 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001161644847 831980108 /nfs/dbraw/zinc/98/01/08/831980108.db2.gz UDFGDBHAIBQIPJ-CHWSQXEVSA-N 2 0 341.456 -0.214 20 0 EBADRP COC[C@H](O)C[N@H+]1CC=C(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001161698788 831983636 /nfs/dbraw/zinc/98/36/36/831983636.db2.gz DXJQBSXLJOVZNP-MRXNPFEDSA-N 2 0 343.468 -0.290 20 0 EBADRP COC[C@@H](O)C[N@H+]1CC=C(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001161698787 831983959 /nfs/dbraw/zinc/98/39/59/831983959.db2.gz DXJQBSXLJOVZNP-INIZCTEOSA-N 2 0 343.468 -0.290 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)C12CCC[NH+]1CCC2)C(=O)NC(N)=O ZINC001161796039 831992214 /nfs/dbraw/zinc/99/22/14/831992214.db2.gz YAIMBDCFYPCSGX-LLVKDONJSA-N 2 0 325.413 -0.706 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001161864104 831998186 /nfs/dbraw/zinc/99/81/86/831998186.db2.gz XBZAWKNJBFKWHN-UHFFFAOYSA-N 2 0 346.391 -0.111 20 0 EBADRP [NH3+]C1CCN(CCNc2ncccc2C(=O)N2CC[NH2+]CC2)CC1 ZINC001161870026 831999478 /nfs/dbraw/zinc/99/94/78/831999478.db2.gz BWTZVVWCFVUUCU-UHFFFAOYSA-N 2 0 332.452 -0.038 20 0 EBADRP O=C(NCCC[NH2+][C@@H]1CCNC1=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001162317130 832034583 /nfs/dbraw/zinc/03/45/83/832034583.db2.gz XELNCEGUOXETOZ-CYBMUJFWSA-N 2 0 328.376 -0.135 20 0 EBADRP COCC1(CNC(=O)COCC[NH+](C)C)CC[NH+](CCCO)CC1 ZINC001162576522 832054651 /nfs/dbraw/zinc/05/46/51/832054651.db2.gz IICUGKMEGOEIKC-UHFFFAOYSA-N 2 0 345.484 -0.208 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1)C(=O)NC(N)=O ZINC001162617142 832056072 /nfs/dbraw/zinc/05/60/72/832056072.db2.gz BVUNDWPVHUOBNS-JTQLQIEISA-N 2 0 332.364 -0.373 20 0 EBADRP COCCOCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872522 832068206 /nfs/dbraw/zinc/06/82/06/832068206.db2.gz UZAOERQXZWKJTJ-CKDBGZEDSA-N 2 0 341.452 -0.392 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)c1nnnn1C ZINC001162872461 832069021 /nfs/dbraw/zinc/06/90/21/832069021.db2.gz SPISAXZRSXRLBY-ISGSLZAZSA-N 2 0 349.439 -0.770 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C(=O)N(C)C ZINC001162872620 832070099 /nfs/dbraw/zinc/07/00/99/832070099.db2.gz YKKQFDFNPVLSGG-XCCIUEIHSA-N 2 0 338.452 -0.578 20 0 EBADRP C[NH+]1CCC(NC(=O)c2ccc(N[C@@H]3C[NH2+][C@@H]4COC[C@H]34)nn2)CC1 ZINC001163140960 832085465 /nfs/dbraw/zinc/08/54/65/832085465.db2.gz SGTCOPCCCIDFNF-BPLDGKMQSA-N 2 0 346.435 -0.301 20 0 EBADRP NC(=O)C1CCN(c2cc(NC[C@]34C[NH2+]C[C@H]3COC4)ncn2)CC1 ZINC001163154746 832085771 /nfs/dbraw/zinc/08/57/71/832085771.db2.gz WQJINHURRBUNGB-GUYCJALGSA-N 2 0 346.435 -0.174 20 0 EBADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)CCCCC1 ZINC001163242126 832093178 /nfs/dbraw/zinc/09/31/78/832093178.db2.gz JDJPAEAAWLPGMN-UHFFFAOYSA-N 2 0 341.456 -0.211 20 0 EBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ccc([C@@H]3CC4(C[NH2+]C4)C(=O)N3)cc2)N1 ZINC001163249948 832093547 /nfs/dbraw/zinc/09/35/47/832093547.db2.gz LMZUIEHTACMFBP-SUNYJGFJSA-N 2 0 341.415 -0.173 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)CC1([NH+](C)C)CCCC1)C(=O)NC(N)=O ZINC001163290900 832098426 /nfs/dbraw/zinc/09/84/26/832098426.db2.gz TUDIWCVMRQGORS-LBPRGKRZSA-N 2 0 341.456 -0.070 20 0 EBADRP C[NH+]1CCC(NC(=O)c2ccc(N[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)nn2)CC1 ZINC001163337853 832101596 /nfs/dbraw/zinc/10/15/96/832101596.db2.gz ZZCFWGYIOBPOQE-INWMFGNUSA-N 2 0 346.435 -0.158 20 0 EBADRP CC(C)(C(=O)NCCC[NH2+]CC(=O)N1CCOCC1)[NH+]1CCCC1 ZINC001163834231 832144509 /nfs/dbraw/zinc/14/45/09/832144509.db2.gz WTVKOKYIYBUVIF-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1)C(=O)NC(N)=O ZINC001163851475 832145881 /nfs/dbraw/zinc/14/58/81/832145881.db2.gz OHYRGBZKMWAZGV-LLVKDONJSA-N 2 0 327.429 -0.460 20 0 EBADRP CN(C(=O)COCC[NH+](C)C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001350688472 832185445 /nfs/dbraw/zinc/18/54/45/832185445.db2.gz KALNQMYKUNUMHE-HNNXBMFYSA-N 2 0 340.468 -0.280 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001164455856 832188699 /nfs/dbraw/zinc/18/86/99/832188699.db2.gz GJOBEEQVRONFLQ-QWHCGFSZSA-N 2 0 341.456 -0.212 20 0 EBADRP CC(C)CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001164535852 832194754 /nfs/dbraw/zinc/19/47/54/832194754.db2.gz IDYFEBZDVKEPRW-HNNXBMFYSA-N 2 0 342.484 -0.036 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001164536126 832195308 /nfs/dbraw/zinc/19/53/08/832195308.db2.gz NJYXGSROXUNCMS-KBPBESRZSA-N 2 0 328.457 -0.332 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NCCC[NH2+]CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001164577716 832199196 /nfs/dbraw/zinc/19/91/96/832199196.db2.gz RICCXCJFVDXRHL-KBPBESRZSA-N 2 0 338.452 -0.038 20 0 EBADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]CC(=O)NC(=O)NC2CC2)CC1 ZINC001165253457 832208354 /nfs/dbraw/zinc/20/83/54/832208354.db2.gz GCHAELBTWUGJDC-UHFFFAOYSA-N 2 0 339.440 -0.588 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165272754 832209508 /nfs/dbraw/zinc/20/95/08/832209508.db2.gz YZDFARQYHCGKDB-AWEZNQCLSA-N 2 0 342.484 -0.035 20 0 EBADRP O=C(c1cccnc1N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1)N1CC[NH2+]CC1 ZINC001165292700 832211590 /nfs/dbraw/zinc/21/15/90/832211590.db2.gz QHCRUVALQFWXRH-GDBMZVCRSA-N 2 0 345.447 -0.058 20 0 EBADRP O=C1NCCN(c2ccc(OCC3CC[NH2+]CC3)cn2)C12C[NH2+]C2 ZINC001165300644 832213650 /nfs/dbraw/zinc/21/36/50/832213650.db2.gz GMYDREHRPBYALD-UHFFFAOYSA-N 2 0 331.420 -0.262 20 0 EBADRP c1nc2n(n1)C1(CC[NH2+]CC1)CN(c1ncc3c(n1)CC[NH2+]C3)C2 ZINC001165311731 832214879 /nfs/dbraw/zinc/21/48/79/832214879.db2.gz DRFWLOXBFSJSOK-UHFFFAOYSA-N 2 0 326.408 -0.187 20 0 EBADRP CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC1CCOCC1)[NH+](C)C ZINC001166004555 832245604 /nfs/dbraw/zinc/24/56/04/832245604.db2.gz RKNDMRXZUJDPPL-MRXNPFEDSA-N 2 0 342.484 -0.036 20 0 EBADRP CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC)[NH+](CC)CC ZINC001166432854 832262117 /nfs/dbraw/zinc/26/21/17/832262117.db2.gz PVAOPMUOQXHKLR-LBPRGKRZSA-N 2 0 329.445 -0.342 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001166627666 832275063 /nfs/dbraw/zinc/27/50/63/832275063.db2.gz ZAEBBQPYCYGTOZ-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001166633847 832276297 /nfs/dbraw/zinc/27/62/97/832276297.db2.gz KWDKHVLBLXYHEC-QWHCGFSZSA-N 2 0 341.456 -0.199 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166676631 832279474 /nfs/dbraw/zinc/27/94/74/832279474.db2.gz ABRHYBNEVONZDB-CABCVRRESA-N 2 0 342.484 -0.035 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166677869 832279507 /nfs/dbraw/zinc/27/95/07/832279507.db2.gz OXVMDSGLEMZRAF-AWEZNQCLSA-N 2 0 348.513 -0.247 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001166678574 832280267 /nfs/dbraw/zinc/28/02/67/832280267.db2.gz WNBQHAYVEGXKFT-KBPBESRZSA-N 2 0 331.482 -0.141 20 0 EBADRP N=c1nc([C@@H]2CCC[NH2+]2)ccn1-c1cncc(N2CC[NH2+]CC2)n1 ZINC001166702500 832281162 /nfs/dbraw/zinc/28/11/62/832281162.db2.gz YVSUKWOVQXBBEX-LBPRGKRZSA-N 2 0 326.408 -0.024 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)Nc1nncs1 ZINC001166708197 832282473 /nfs/dbraw/zinc/28/24/73/832282473.db2.gz NUGHUFAZLRRTHD-WDEREUQCSA-N 2 0 340.453 -0.230 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001166708655 832283010 /nfs/dbraw/zinc/28/30/10/832283010.db2.gz VTHZAKCLPRFQDI-WCQYABFASA-N 2 0 339.440 -0.732 20 0 EBADRP C[NH+](C)CCc1ccc(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)cc1 ZINC001166736645 832285983 /nfs/dbraw/zinc/28/59/83/832285983.db2.gz PNPPXSQFUOWYCF-UHFFFAOYSA-N 2 0 349.435 -0.305 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)C[N@@H+]1CCC(C)(C)C1)C(=O)NC(N)=O ZINC001166744347 832287160 /nfs/dbraw/zinc/28/71/60/832287160.db2.gz RUMUYMAZJKUVEB-NSHDSACASA-N 2 0 327.429 -0.602 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166972299 832304706 /nfs/dbraw/zinc/30/47/06/832304706.db2.gz VWKAZOUEXZBAPR-OAHLLOKOSA-N 2 0 345.484 -0.162 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001167225434 832318618 /nfs/dbraw/zinc/31/86/18/832318618.db2.gz VLSXXKCMQYZMQM-GFCCVEGCSA-N 2 0 339.440 -0.458 20 0 EBADRP CC[C@@H](C(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1)[NH+](C)C ZINC001167260744 832322057 /nfs/dbraw/zinc/32/20/57/832322057.db2.gz HXXAEBDBANWNPG-NSHDSACASA-N 2 0 327.429 -0.602 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC2CCOCC2)C[C@H]1C[NH+](C)C ZINC001352422278 832327266 /nfs/dbraw/zinc/32/72/66/832327266.db2.gz IVGRLITUJHAPML-ZIAGYGMSSA-N 2 0 340.468 -0.521 20 0 EBADRP C[C@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)[NH+]1CCCCCC1 ZINC001167620356 832360728 /nfs/dbraw/zinc/36/07/28/832360728.db2.gz RSPANYMHLIWLGK-QWHCGFSZSA-N 2 0 341.456 -0.070 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NCCC[NH2+]CC(=O)NC2CC2)cn1 ZINC001168043250 832389126 /nfs/dbraw/zinc/38/91/26/832389126.db2.gz GMNFNWRFWPJXQY-UHFFFAOYSA-N 2 0 336.440 -0.567 20 0 EBADRP Cn1nncc1C[NH2+]CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001168043908 832389760 /nfs/dbraw/zinc/38/97/60/832389760.db2.gz OANZGNLQAXFXSV-UHFFFAOYSA-N 2 0 334.428 -0.517 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)c1cnn(CC[NH+](C)C)c1)C(=O)N(C)C ZINC001168052836 832391763 /nfs/dbraw/zinc/39/17/63/832391763.db2.gz XYBLDBZXMZWVLH-CYBMUJFWSA-N 2 0 338.456 -0.369 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NCCC[NH2+]CCOCCO)cn1 ZINC001168052731 832391990 /nfs/dbraw/zinc/39/19/90/832391990.db2.gz VMEQPQNFRHIKGY-UHFFFAOYSA-N 2 0 327.429 -0.837 20 0 EBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001353046547 832394372 /nfs/dbraw/zinc/39/43/72/832394372.db2.gz ANIVDHBFJWUANQ-KDOFPFPSSA-N 2 0 348.447 -0.455 20 0 EBADRP C[C@H]([NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)C(=O)NC(N)=O ZINC001168146330 832399004 /nfs/dbraw/zinc/39/90/04/832399004.db2.gz FDYMKLAFYHJCDA-NWDGAFQWSA-N 2 0 339.440 -0.602 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001168153089 832399070 /nfs/dbraw/zinc/39/90/70/832399070.db2.gz ISGPZBINLAMJIK-CYBMUJFWSA-N 2 0 326.441 -0.684 20 0 EBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001353279416 832419076 /nfs/dbraw/zinc/41/90/76/832419076.db2.gz XBFQDUQJUPWIIA-YIYPIFLZSA-N 2 0 340.468 -0.062 20 0 EBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001353583907 832434159 /nfs/dbraw/zinc/43/41/59/832434159.db2.gz VDDBNXAMUZDGMQ-CABCVRRESA-N 2 0 339.484 -0.674 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[NH+](CC)CC ZINC001168756031 832434819 /nfs/dbraw/zinc/43/48/19/832434819.db2.gz TZNRZYXCTPOQQE-UHFFFAOYSA-N 2 0 329.445 -0.340 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001168763650 832435428 /nfs/dbraw/zinc/43/54/28/832435428.db2.gz RCTJWTYMHPMIQR-CQSZACIVSA-N 2 0 328.457 -0.423 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001169134525 832450705 /nfs/dbraw/zinc/45/07/05/832450705.db2.gz MEGYNQCSDIUDCL-CYBMUJFWSA-N 2 0 341.456 -0.342 20 0 EBADRP CCN1CC[C@@H]([NH2+]CCCNC(=O)COC2CC[NH+](C)CC2)C1=O ZINC001169530883 832466533 /nfs/dbraw/zinc/46/65/33/832466533.db2.gz IFFIRLWXEZQSIH-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCCCCN1CC[NH2+]CC1 ZINC001354968716 832540852 /nfs/dbraw/zinc/54/08/52/832540852.db2.gz DBISWCPFANOPNS-AWEZNQCLSA-N 2 0 325.457 -0.954 20 0 EBADRP Cn1[nH]c(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)nc1=O ZINC001171162071 832549906 /nfs/dbraw/zinc/54/99/06/832549906.db2.gz UBCMZSIVAFFJPL-CHWSQXEVSA-N 2 0 338.456 -0.175 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]Cc1nnc2n1CCCC2 ZINC001171205342 832550634 /nfs/dbraw/zinc/55/06/34/832550634.db2.gz SGDNRKMXHBKUFI-UHFFFAOYSA-N 2 0 338.456 -0.212 20 0 EBADRP COC[C@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171205618 832550682 /nfs/dbraw/zinc/55/06/82/832550682.db2.gz UZLLGKVPHMBBEX-GJZGRUSLSA-N 2 0 349.472 -0.927 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171226379 832552413 /nfs/dbraw/zinc/55/24/13/832552413.db2.gz GFCZYANLMFNXIC-AWEZNQCLSA-N 2 0 348.513 -0.294 20 0 EBADRP C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171246528 832553811 /nfs/dbraw/zinc/55/38/11/832553811.db2.gz FNXAEXOPYAYOFQ-SMDDNHRTSA-N 2 0 341.456 -0.214 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171294698 832555640 /nfs/dbraw/zinc/55/56/40/832555640.db2.gz VYDVKHJRTITWLU-UHFFFAOYSA-N 2 0 346.497 -0.540 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)c1c[nH+]ccc1N(C)C)C(=O)NC(N)=O ZINC001171363397 832558602 /nfs/dbraw/zinc/55/86/02/832558602.db2.gz VHYROLMLQYZOTR-JTQLQIEISA-N 2 0 336.396 -0.560 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001171762576 832575129 /nfs/dbraw/zinc/57/51/29/832575129.db2.gz GSINIZSKKUHWTQ-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP CC[N@@H+]1CC[C@@H](N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)C1 ZINC001173361082 832584030 /nfs/dbraw/zinc/58/40/30/832584030.db2.gz LQGFFLMCLUYHKL-CYBMUJFWSA-N 2 0 341.481 -0.115 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCN2C2CCOCC2)CC1 ZINC001356113785 832601270 /nfs/dbraw/zinc/60/12/70/832601270.db2.gz NVVOEMZYZZEYQG-DLBZAZTESA-N 2 0 326.485 -0.562 20 0 EBADRP C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174928598 832604828 /nfs/dbraw/zinc/60/48/28/832604828.db2.gz LDMOEIIBTJIEGC-GFCCVEGCSA-N 2 0 341.456 -0.212 20 0 EBADRP C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001175042136 832613980 /nfs/dbraw/zinc/61/39/80/832613980.db2.gz TYFKMYQXRWMLGF-GFCCVEGCSA-N 2 0 341.456 -0.212 20 0 EBADRP C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175257124 832619842 /nfs/dbraw/zinc/61/98/42/832619842.db2.gz VANSHZWSAXEZIX-STQMWFEESA-N 2 0 341.456 -0.070 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC001356449374 832630271 /nfs/dbraw/zinc/63/02/71/832630271.db2.gz QGPALXWSOYRWIW-KKUMJFAQSA-N 2 0 339.484 -0.770 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@H](C)CCCC[NH2+]CC(=O)NC(N)=O ZINC001175769374 832644801 /nfs/dbraw/zinc/64/48/01/832644801.db2.gz RMMFTLXYGYYKCV-GFCCVEGCSA-N 2 0 329.445 -0.212 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176095895 832657548 /nfs/dbraw/zinc/65/75/48/832657548.db2.gz KLXSAOYYSPSQGI-UONOGXRCSA-N 2 0 328.457 -0.425 20 0 EBADRP O=C(C[NH+]1CCCC1)NCCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001176119275 832658863 /nfs/dbraw/zinc/65/88/63/832658863.db2.gz YVNCACRBGVOGQK-HZPDHXFCSA-N 2 0 343.468 -0.265 20 0 EBADRP CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@H](C)C[NH+]2CCOCC2)C1=O ZINC001176161345 832660218 /nfs/dbraw/zinc/66/02/18/832660218.db2.gz OGBXHVGMEJPIQF-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176168305 832661072 /nfs/dbraw/zinc/66/10/72/832661072.db2.gz AYPCPQDGEQFSLV-AWEZNQCLSA-N 2 0 328.457 -0.425 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001176170492 832662088 /nfs/dbraw/zinc/66/20/88/832662088.db2.gz WOORQKFGPSXOPO-CQSZACIVSA-N 2 0 340.468 -0.423 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001176986847 832726129 /nfs/dbraw/zinc/72/61/29/832726129.db2.gz XBQQYQMBXVTCNI-HNNXBMFYSA-N 2 0 345.484 -0.021 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001176986431 832726136 /nfs/dbraw/zinc/72/61/36/832726136.db2.gz OAMGVKGGGLSSGO-ZDUSSCGKSA-N 2 0 341.456 -0.198 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178356682 832853922 /nfs/dbraw/zinc/85/39/22/832853922.db2.gz PODJMIPBVQNJJZ-SOUVJXGZSA-N 2 0 340.468 -0.188 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001178827107 832919468 /nfs/dbraw/zinc/91/94/68/832919468.db2.gz CWVDHGPHUOAOMZ-ZDUSSCGKSA-N 2 0 341.456 -0.068 20 0 EBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C)C(=O)NC(N)=O ZINC001178902316 832928453 /nfs/dbraw/zinc/92/84/53/832928453.db2.gz KUQDPMBQHQEYSZ-GVXVVHGQSA-N 2 0 339.440 -0.367 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCN(C)S(C)(=O)=O)[C@@H]1C)[NH+](C)C ZINC001178990333 832938312 /nfs/dbraw/zinc/93/83/12/832938312.db2.gz SCASGKBFABNLLY-MELADBBJSA-N 2 0 348.513 -0.203 20 0 EBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001179178914 832957910 /nfs/dbraw/zinc/95/79/10/832957910.db2.gz DGJYRRYLZXSOSQ-LHYMLEISSA-N 2 0 336.436 -0.825 20 0 EBADRP COCCOC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001179303434 832968278 /nfs/dbraw/zinc/96/82/78/832968278.db2.gz CAFXVOYUGGJVMH-XUWVNRHRSA-N 2 0 343.468 -0.317 20 0 EBADRP C[C@H]1[C@@H]([NH2+]C[C@H](O)Cn2cccn2)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001179303572 832968875 /nfs/dbraw/zinc/96/88/75/832968875.db2.gz HYSZWVRCKPIMBN-YHUYYLMFSA-N 2 0 335.452 -0.083 20 0 EBADRP C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001179421348 832976806 /nfs/dbraw/zinc/97/68/06/832976806.db2.gz UIUBQKTWLCXXLY-RYUDHWBXSA-N 2 0 336.440 -0.471 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179486704 832981833 /nfs/dbraw/zinc/98/18/33/832981833.db2.gz PYYSEUZMMYADQN-SRVKXCTJSA-N 2 0 327.429 -0.639 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)CCN1C(=O)CC[NH+](C)C ZINC001179485919 832981937 /nfs/dbraw/zinc/98/19/37/832981937.db2.gz FBYUCKHLAALDGA-ILXRZTDVSA-N 2 0 340.468 -0.236 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179482079 832982274 /nfs/dbraw/zinc/98/22/74/832982274.db2.gz QUXDNDBZEMBBOW-KBPBESRZSA-N 2 0 348.513 -0.154 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCN2CCCS2(=O)=O)CCN1C(=O)CC[NH+](C)C ZINC001179482871 832982511 /nfs/dbraw/zinc/98/25/11/832982511.db2.gz ZBPIXFCELVKUMV-KBPBESRZSA-N 2 0 346.497 -0.447 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C)[NH+](CC)CC ZINC001179517352 832984317 /nfs/dbraw/zinc/98/43/17/832984317.db2.gz QDPRYFLXLGMLEK-AVGNSLFASA-N 2 0 341.456 -0.119 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001179534767 832985524 /nfs/dbraw/zinc/98/55/24/832985524.db2.gz VWLHSAZVRMOEFN-SRVKXCTJSA-N 2 0 325.413 -0.755 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)[C@H]1C ZINC001179538380 832985657 /nfs/dbraw/zinc/98/56/57/832985657.db2.gz BTUMFGPYJVHNBJ-AVGNSLFASA-N 2 0 339.440 -0.637 20 0 EBADRP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001212458420 837689583 /nfs/dbraw/zinc/68/95/83/837689583.db2.gz GBOUWSURHUKMDD-HUUCEWRRSA-N 2 0 343.468 -0.457 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001187121801 833902838 /nfs/dbraw/zinc/90/28/38/833902838.db2.gz LTYPIFPHKZYUEY-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC(C)(C)C)C1 ZINC001187122102 833904384 /nfs/dbraw/zinc/90/43/84/833904384.db2.gz OXFIZUVNMZTRGD-CQSZACIVSA-N 2 0 342.484 -0.083 20 0 EBADRP O=C(C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)Nc1ccon1 ZINC001187127483 833904926 /nfs/dbraw/zinc/90/49/26/833904926.db2.gz VQHYIJFXTOCJDK-GFCCVEGCSA-N 2 0 333.392 -0.101 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CCOCC3)C2)C1 ZINC001187817974 833970042 /nfs/dbraw/zinc/97/00/42/833970042.db2.gz MHUNPNLJMPTUAQ-DZGCQCFKSA-N 2 0 338.452 -0.576 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187824945 833972106 /nfs/dbraw/zinc/97/21/06/833972106.db2.gz DAFKFGMYRMMNNV-UONOGXRCSA-N 2 0 326.441 -0.719 20 0 EBADRP COCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001187850996 833973962 /nfs/dbraw/zinc/97/39/62/833973962.db2.gz KZGMVPJBNAFTBV-JKSUJKDBSA-N 2 0 343.468 -0.192 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001188158744 834017340 /nfs/dbraw/zinc/01/73/40/834017340.db2.gz WUIZPWLWMUSYST-LSDHHAIUSA-N 2 0 340.468 -0.330 20 0 EBADRP Cc1cncn1CC(=O)N1CC[C@H]2CN([C@@H](C)C(=O)NC(N)=O)C[C@H]21 ZINC001188561442 834063434 /nfs/dbraw/zinc/06/34/34/834063434.db2.gz GLMSNCNCENXQGU-RWMBFGLXSA-N 2 0 348.407 -0.692 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC001188962788 834109972 /nfs/dbraw/zinc/10/99/72/834109972.db2.gz FWNIMAFRPIXDMH-BFHYXJOUSA-N 2 0 348.447 -0.334 20 0 EBADRP CO[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374743 837759727 /nfs/dbraw/zinc/75/97/27/837759727.db2.gz VKLXSRLENWEVPO-RRFJBIMHSA-N 2 0 339.440 -0.989 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192142035 834616681 /nfs/dbraw/zinc/61/66/81/834616681.db2.gz GPTXGQLYIVEEMP-DGCLKSJQSA-N 2 0 339.440 -0.556 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([N@H+](C)CCN2CCNC2=O)C1 ZINC001193487745 834887027 /nfs/dbraw/zinc/88/70/27/834887027.db2.gz DWQOWDBTTNIYDV-CQSZACIVSA-N 2 0 341.456 -0.878 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193559066 834906420 /nfs/dbraw/zinc/90/64/20/834906420.db2.gz GYBUHKMDGYMONQ-STQMWFEESA-N 2 0 341.456 -0.166 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)[C@H](C)C(=O)NC(N)=O)C1 ZINC001193643582 834920975 /nfs/dbraw/zinc/92/09/75/834920975.db2.gz XCWSNUVCEFZXGU-VXGBXAGGSA-N 2 0 327.429 -0.556 20 0 EBADRP CC(=O)NCCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194001333 834994275 /nfs/dbraw/zinc/99/42/75/834994275.db2.gz GXZSXFZMNKKNEY-JKSUJKDBSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([N@H+](C)CCOCCO)C1 ZINC001194026667 835001599 /nfs/dbraw/zinc/00/15/99/835001599.db2.gz ICWHGYCGDAQUDU-JKSUJKDBSA-N 2 0 343.468 -0.504 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194039344 835003176 /nfs/dbraw/zinc/00/31/76/835003176.db2.gz MZTZITACMUEWCC-NEPJUHHUSA-N 2 0 325.413 -0.802 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001194103359 835025619 /nfs/dbraw/zinc/02/56/19/835025619.db2.gz YOKCWVCPSPGSSR-ZIAGYGMSSA-N 2 0 331.432 -0.134 20 0 EBADRP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)cn1 ZINC001195702125 835274022 /nfs/dbraw/zinc/27/40/22/835274022.db2.gz ZKEICRVYNKNDQS-HZPDHXFCSA-N 2 0 337.468 -0.051 20 0 EBADRP CCCCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708057 835276321 /nfs/dbraw/zinc/27/63/21/835276321.db2.gz DAMUSARYSULSGW-RRFJBIMHSA-N 2 0 342.484 -0.206 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1O ZINC001195869901 835302899 /nfs/dbraw/zinc/30/28/99/835302899.db2.gz FPULIJSAYJVCRO-RRFJBIMHSA-N 2 0 329.441 -0.705 20 0 EBADRP CCOC(=O)CS(=O)(=O)N1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001195965258 835320724 /nfs/dbraw/zinc/32/07/24/835320724.db2.gz MSNBEGXVDHBUOR-UHFFFAOYSA-N 2 0 347.481 -0.161 20 0 EBADRP CCS(=O)(=O)NCCN1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197048643 835498505 /nfs/dbraw/zinc/49/85/05/835498505.db2.gz GQGUZLCGYRXHIM-UHFFFAOYSA-N 2 0 334.486 -0.588 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCO[C@H]2CCOC2)C[C@H]1O ZINC001197493514 835564763 /nfs/dbraw/zinc/56/47/63/835564763.db2.gz QNJFUHMWUBWMMT-ARFHVFGLSA-N 2 0 343.468 -0.315 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCc3ncnn32)C[C@H]1O ZINC001197535808 835572573 /nfs/dbraw/zinc/57/25/73/835572573.db2.gz DUXCBRDHCYDYAC-BFHYXJOUSA-N 2 0 336.440 -0.732 20 0 EBADRP CO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1)C1CCC1 ZINC001197826393 835614055 /nfs/dbraw/zinc/61/40/55/835614055.db2.gz VDGXAQBNAKMWGY-BZUAXINKSA-N 2 0 343.468 -0.459 20 0 EBADRP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197948783 835623878 /nfs/dbraw/zinc/62/38/78/835623878.db2.gz LSFMTZRKHHAJKE-HUUCEWRRSA-N 2 0 331.457 -0.457 20 0 EBADRP Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197948080 835624101 /nfs/dbraw/zinc/62/41/01/835624101.db2.gz FIVLSLXEXWEBGL-HZPDHXFCSA-N 2 0 337.468 -0.144 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001199787657 835861590 /nfs/dbraw/zinc/86/15/90/835861590.db2.gz CEKDSOXUXTXZRK-JKSUJKDBSA-N 2 0 343.468 -0.315 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200537882 835981563 /nfs/dbraw/zinc/98/15/63/835981563.db2.gz VCABIXBFMCVHRY-QLFBSQMISA-N 2 0 340.468 -0.330 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200537136 835981864 /nfs/dbraw/zinc/98/18/64/835981864.db2.gz LVFLQRJUOCZBJV-MGPQQGTHSA-N 2 0 326.441 -0.720 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001200635891 836000280 /nfs/dbraw/zinc/00/02/80/836000280.db2.gz XGMRENQLMATDMI-ZIAGYGMSSA-N 2 0 326.441 -0.447 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCCO1 ZINC001200688656 836016965 /nfs/dbraw/zinc/01/69/65/836016965.db2.gz SXVLTWLSYPUZIY-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCCO1 ZINC001200688681 836017285 /nfs/dbraw/zinc/01/72/85/836017285.db2.gz TYKHIRXZRSKCPK-KGLIPLIRSA-N 2 0 340.468 -0.188 20 0 EBADRP CN(CCC(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1)c1cc[nH+]cc1 ZINC001200843081 836045012 /nfs/dbraw/zinc/04/50/12/836045012.db2.gz WUBOZXPBRPOMFF-OAHLLOKOSA-N 2 0 349.435 -0.400 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CCCO[C@@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001200852361 836048567 /nfs/dbraw/zinc/04/85/67/836048567.db2.gz ZFIMPGXODGZDCM-OLZOCXBDSA-N 2 0 328.457 -0.202 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001201052913 836086772 /nfs/dbraw/zinc/08/67/72/836086772.db2.gz IFFNLURBZUACAE-CQSZACIVSA-N 2 0 339.440 -0.637 20 0 EBADRP C[NH+](C)C1(CC(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)CCCC1 ZINC001201078991 836090665 /nfs/dbraw/zinc/09/06/65/836090665.db2.gz CLSBBHDWMMFKMV-AWEZNQCLSA-N 2 0 340.468 -0.057 20 0 EBADRP COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCCO1 ZINC001201187743 836108312 /nfs/dbraw/zinc/10/83/12/836108312.db2.gz RSRGOOUXNPVWDJ-JYJNAYRXSA-N 2 0 343.468 -0.315 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001201268583 836119803 /nfs/dbraw/zinc/11/98/03/836119803.db2.gz YXVMEENQMSCTNO-CYBMUJFWSA-N 2 0 339.440 -0.493 20 0 EBADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1 ZINC001201262609 836120282 /nfs/dbraw/zinc/12/02/82/836120282.db2.gz VDNNQRCVMLQWDB-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001201275769 836121113 /nfs/dbraw/zinc/12/11/13/836121113.db2.gz AHEHCBLLFKKINW-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201276362 836122096 /nfs/dbraw/zinc/12/20/96/836122096.db2.gz GIMBEFVAOHXHAX-LSDHHAIUSA-N 2 0 331.457 -0.457 20 0 EBADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1)C(=O)NC1CC1 ZINC001201317138 836127976 /nfs/dbraw/zinc/12/79/76/836127976.db2.gz FYWKXKYYADNXIH-DZGCQCFKSA-N 2 0 340.468 -0.188 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+]CC(=O)NC(=O)NC)CC1 ZINC001201321702 836129489 /nfs/dbraw/zinc/12/94/89/836129489.db2.gz UBMVKKCATBHWOI-UHFFFAOYSA-N 2 0 341.456 -0.247 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201335702 836130549 /nfs/dbraw/zinc/13/05/49/836130549.db2.gz QARPGLSETNSPGS-CQSZACIVSA-N 2 0 328.457 -0.330 20 0 EBADRP CCN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)CC[NH+](C)C)CCCO2)C1=O ZINC001201335404 836130892 /nfs/dbraw/zinc/13/08/92/836130892.db2.gz OBYYTLAQQDFNOB-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001201419158 836143685 /nfs/dbraw/zinc/14/36/85/836143685.db2.gz DVPSXFMMZNNVKA-CYBMUJFWSA-N 2 0 326.441 -0.589 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCCO[C@@H](C[NH2+]C[C@@H](O)COC)C1 ZINC001201808611 836194706 /nfs/dbraw/zinc/19/47/06/836194706.db2.gz DVTNGBHDQPNMAW-CABCVRRESA-N 2 0 331.457 -0.457 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCCO1 ZINC001201907903 836214188 /nfs/dbraw/zinc/21/41/88/836214188.db2.gz FANWPZFZVDKZHG-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001201925346 836217230 /nfs/dbraw/zinc/21/72/30/836217230.db2.gz ZGMQFHVMBMOYGJ-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP O=C(C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1)NC1CC1 ZINC001202048562 836240745 /nfs/dbraw/zinc/24/07/45/836240745.db2.gz BLNMBCBIDWAIDI-OAHLLOKOSA-N 2 0 338.452 -0.432 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001202057168 836241883 /nfs/dbraw/zinc/24/18/83/836241883.db2.gz DOMOGPJNTBGCRT-LSDHHAIUSA-N 2 0 338.452 -0.623 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202051066 836243327 /nfs/dbraw/zinc/24/33/27/836243327.db2.gz ZFVMJCHFYHPTOY-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202059886 836243968 /nfs/dbraw/zinc/24/39/68/836243968.db2.gz SJGKJNLLERYRNQ-CABCVRRESA-N 2 0 340.468 -0.330 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001202148247 836262444 /nfs/dbraw/zinc/26/24/44/836262444.db2.gz SJGMSIUJVKSZGZ-ZIAGYGMSSA-N 2 0 326.441 -0.447 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001202148245 836263243 /nfs/dbraw/zinc/26/32/43/836263243.db2.gz SJGMSIUJVKSZGZ-UONOGXRCSA-N 2 0 326.441 -0.447 20 0 EBADRP C[C@@H]([NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCCO1)C(N)=O ZINC001202148645 836263285 /nfs/dbraw/zinc/26/32/85/836263285.db2.gz YPSYBZGDHPYECG-CABCVRRESA-N 2 0 340.468 -0.057 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001202165612 836265729 /nfs/dbraw/zinc/26/57/29/836265729.db2.gz SALIKLMZFQASQF-UONOGXRCSA-N 2 0 326.441 -0.578 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001202225147 836277609 /nfs/dbraw/zinc/27/76/09/836277609.db2.gz RLWPLCHAIANBBY-UHFFFAOYSA-N 2 0 339.440 -0.636 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC([NH2+]Cc2nnc3n2CCOC3)CC1 ZINC001202316146 836290689 /nfs/dbraw/zinc/29/06/89/836290689.db2.gz NYIHLSDAONOCFO-UHFFFAOYSA-N 2 0 336.440 -0.159 20 0 EBADRP CN(CC[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1)S(C)(=O)=O ZINC001202316091 836291352 /nfs/dbraw/zinc/29/13/52/836291352.db2.gz NAEHJAHEPQZSGU-UHFFFAOYSA-N 2 0 334.486 -0.590 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC([NH2+]CCNS(C)(=O)=O)CC2)C1 ZINC001202496713 836308340 /nfs/dbraw/zinc/30/83/40/836308340.db2.gz VIEJQKZZFTUHNB-ZDUSSCGKSA-N 2 0 346.497 -0.542 20 0 EBADRP C[C@H](COCC(=O)N1CCC([NH2+][C@H](C)C(N)=O)CC1)[NH+]1CCCC1 ZINC001202559417 836317162 /nfs/dbraw/zinc/31/71/62/836317162.db2.gz CHVSFCDJGYPIMJ-ZIAGYGMSSA-N 2 0 340.468 -0.058 20 0 EBADRP C[C@H](COCC(=O)N1CCC([NH2+][C@@H](C)C(N)=O)CC1)[NH+]1CCCC1 ZINC001202559412 836317853 /nfs/dbraw/zinc/31/78/53/836317853.db2.gz CHVSFCDJGYPIMJ-KGLIPLIRSA-N 2 0 340.468 -0.058 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203322967 836419113 /nfs/dbraw/zinc/41/91/13/836419113.db2.gz BJRVUZWIDBIJAV-NEPJUHHUSA-N 2 0 339.440 -0.460 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C23CCC3)nc1=O ZINC001203357390 836424990 /nfs/dbraw/zinc/42/49/90/836424990.db2.gz FKJRUNUBSLFZFD-NWDGAFQWSA-N 2 0 336.440 -0.423 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC([NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001203442224 836432436 /nfs/dbraw/zinc/43/24/36/836432436.db2.gz HHIOXDGIYNFUJX-NSHDSACASA-N 2 0 327.429 -0.508 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]CC(=O)Nc3cnccn3)CC2)C1 ZINC001203693359 836461596 /nfs/dbraw/zinc/46/15/96/836461596.db2.gz WBACDOUOARCSDJ-ZDUSSCGKSA-N 2 0 346.435 -0.053 20 0 EBADRP CC(=O)NCCOCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001203699499 836463019 /nfs/dbraw/zinc/46/30/19/836463019.db2.gz NGSACPAVEFROHI-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001203709453 836465651 /nfs/dbraw/zinc/46/56/51/836465651.db2.gz RQEOFTPDOYWMFK-UONOGXRCSA-N 2 0 340.468 -0.330 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203790903 836478293 /nfs/dbraw/zinc/47/82/93/836478293.db2.gz ABYUCFJBAYWXBO-NEPJUHHUSA-N 2 0 339.440 -0.462 20 0 EBADRP CNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001205345739 836560055 /nfs/dbraw/zinc/56/00/55/836560055.db2.gz XMLPJUXDVKTPMA-HUUCEWRRSA-N 2 0 338.452 -0.576 20 0 EBADRP NC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001205719159 836589874 /nfs/dbraw/zinc/58/98/74/836589874.db2.gz BTBKTDAPOXRKSK-XOYHFGRZSA-N 2 0 336.436 -0.837 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001206079348 836620789 /nfs/dbraw/zinc/62/07/89/836620789.db2.gz CLRWEUWAAIZFIO-UHFFFAOYSA-N 2 0 341.456 -0.388 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001206137851 836626638 /nfs/dbraw/zinc/62/66/38/836626638.db2.gz BRHCSKZUSXJOAV-UHFFFAOYSA-N 2 0 348.513 -0.294 20 0 EBADRP CC[C@@H](C(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1)[NH+](C)C ZINC001206300891 836637651 /nfs/dbraw/zinc/63/76/51/836637651.db2.gz FXBPTNUULDSUSZ-LBPRGKRZSA-N 2 0 327.429 -0.650 20 0 EBADRP CN1CC[C@H]([NH2+]CC2CCN(C(=O)COCC[NH+](C)C)CC2)C1=O ZINC001206872728 836686017 /nfs/dbraw/zinc/68/60/17/836686017.db2.gz RMNATUBFGGEKOR-HNNXBMFYSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001206882888 836690779 /nfs/dbraw/zinc/69/07/79/836690779.db2.gz HZDSSEPFCGLUQH-UHFFFAOYSA-N 2 0 341.456 -0.259 20 0 EBADRP CNC(=O)C[NH2+]CC1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001206930090 836715621 /nfs/dbraw/zinc/71/56/21/836715621.db2.gz RSBMFVLBLVOKPK-CQSZACIVSA-N 2 0 340.468 -0.471 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001206930002 836715959 /nfs/dbraw/zinc/71/59/59/836715959.db2.gz NJQDTIHTDHVMKV-CYBMUJFWSA-N 2 0 326.441 -0.732 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001207687859 836845514 /nfs/dbraw/zinc/84/55/14/836845514.db2.gz JIFPAPLNBPCBNJ-CHWSQXEVSA-N 2 0 339.440 -0.493 20 0 EBADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C)[NH+](C)C ZINC001207697780 836847805 /nfs/dbraw/zinc/84/78/05/836847805.db2.gz KHIGLLFBTCWNPS-MGPQQGTHSA-N 2 0 338.452 -0.088 20 0 EBADRP CS(=O)(=O)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001208055765 836937012 /nfs/dbraw/zinc/93/70/12/836937012.db2.gz FJJPQFJHFAEYQP-CABCVRRESA-N 2 0 343.493 -0.047 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001208070079 836940330 /nfs/dbraw/zinc/94/03/30/836940330.db2.gz CNGIWKSCDAOPGL-MGPQQGTHSA-N 2 0 331.482 -0.048 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070376 836940607 /nfs/dbraw/zinc/94/06/07/836940607.db2.gz KLZLFIKYYBYLRD-FRRDWIJNSA-N 2 0 339.440 -0.637 20 0 EBADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CCC1 ZINC001208330712 836997839 /nfs/dbraw/zinc/99/78/39/836997839.db2.gz CWIRUWOZVOVGSP-CYBMUJFWSA-N 2 0 346.497 -0.400 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1)[NH+](C)C ZINC001208414424 837027769 /nfs/dbraw/zinc/02/77/69/837027769.db2.gz PFMRNHFQYGHIFA-UONOGXRCSA-N 2 0 348.513 -0.201 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208423929 837029647 /nfs/dbraw/zinc/02/96/47/837029647.db2.gz RDGOSQPSWNFNQZ-NWDGAFQWSA-N 2 0 325.413 -0.754 20 0 EBADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1C)[NH+](C)C ZINC001208699075 837099798 /nfs/dbraw/zinc/09/97/98/837099798.db2.gz KHKIYHQOUSBAQO-MCIONIFRSA-N 2 0 325.457 -0.212 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001209303449 837154347 /nfs/dbraw/zinc/15/43/47/837154347.db2.gz JXPWMHFTAXASCM-CHWSQXEVSA-N 2 0 336.436 -0.286 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CCC[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001209303452 837154358 /nfs/dbraw/zinc/15/43/58/837154358.db2.gz JXPWMHFTAXASCM-QWHCGFSZSA-N 2 0 336.436 -0.286 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209419147 837166543 /nfs/dbraw/zinc/16/65/43/837166543.db2.gz JMBXCGJQWYAPEZ-QWHCGFSZSA-N 2 0 341.456 -0.247 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001209631260 837183372 /nfs/dbraw/zinc/18/33/72/837183372.db2.gz DYJRWSCDFGMSQG-KBPBESRZSA-N 2 0 346.497 -0.400 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001209633160 837184473 /nfs/dbraw/zinc/18/44/73/837184473.db2.gz SEJJAEISHWZVRJ-STQMWFEESA-N 2 0 339.440 -0.493 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001209643702 837186041 /nfs/dbraw/zinc/18/60/41/837186041.db2.gz VOGBGKBWLYHABR-NWDGAFQWSA-N 2 0 325.413 -0.896 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001209643677 837186166 /nfs/dbraw/zinc/18/61/66/837186166.db2.gz VFWQHOZJHDTWHB-QWHCGFSZSA-N 2 0 339.440 -0.636 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC001210040400 837228937 /nfs/dbraw/zinc/22/89/37/837228937.db2.gz GMHCSERTOGACTP-CHWSQXEVSA-N 2 0 339.440 -0.684 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)NC(N)=O ZINC001210685314 837319914 /nfs/dbraw/zinc/31/99/14/837319914.db2.gz SPYNHWANFZVWKO-NEPJUHHUSA-N 2 0 337.424 -0.754 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001210690436 837320052 /nfs/dbraw/zinc/32/00/52/837320052.db2.gz LBVCTAPQLLMTFL-LLVKDONJSA-N 2 0 348.407 -0.463 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)NC(N)=O ZINC001210685317 837320083 /nfs/dbraw/zinc/32/00/83/837320083.db2.gz SPYNHWANFZVWKO-VXGBXAGGSA-N 2 0 337.424 -0.754 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001210685134 837320150 /nfs/dbraw/zinc/32/01/50/837320150.db2.gz ONESHGHEUNODMS-AWEZNQCLSA-N 2 0 326.441 -0.576 20 0 EBADRP CN(CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001211064170 837376762 /nfs/dbraw/zinc/37/67/62/837376762.db2.gz JLHVWRHVLXCRMH-KBPBESRZSA-N 2 0 346.497 -0.590 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211071468 837379415 /nfs/dbraw/zinc/37/94/15/837379415.db2.gz KCBKSZBHNUQLFD-KBPBESRZSA-N 2 0 346.497 -0.542 20 0 EBADRP CO[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728854 837854307 /nfs/dbraw/zinc/85/43/07/837854307.db2.gz WTKPHSGMDLFPPL-BZUAXINKSA-N 2 0 343.468 -0.193 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](CC[NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001318853211 838040390 /nfs/dbraw/zinc/04/03/90/838040390.db2.gz BJIMRJNNPCGHRZ-CHWSQXEVSA-N 2 0 339.440 -0.649 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](CC[NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001318853216 838041556 /nfs/dbraw/zinc/04/15/56/838041556.db2.gz BJIMRJNNPCGHRZ-STQMWFEESA-N 2 0 339.440 -0.649 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2C[NH2+]CCS(C)(=O)=O)CC1 ZINC001319101472 838072348 /nfs/dbraw/zinc/07/23/48/838072348.db2.gz AGZRNUWHDFHCHA-CYBMUJFWSA-N 2 0 331.482 -0.047 20 0 EBADRP C[C@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001319476223 838136455 /nfs/dbraw/zinc/13/64/55/838136455.db2.gz FAZYLCSHRQPEPF-ZIAGYGMSSA-N 2 0 325.457 -0.068 20 0 EBADRP C[C@H](C[NH2+]CCCN1C(=O)CNC1=O)N(C)C(=O)C[NH+]1CCCC1 ZINC001319572239 838151320 /nfs/dbraw/zinc/15/13/20/838151320.db2.gz BYZCHIRCFKPHAM-CYBMUJFWSA-N 2 0 339.440 -0.539 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001319791635 838178875 /nfs/dbraw/zinc/17/88/75/838178875.db2.gz NKPWICURKPBLNV-OLZOCXBDSA-N 2 0 339.440 -0.506 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC001319959753 838200763 /nfs/dbraw/zinc/20/07/63/838200763.db2.gz FPXTXZXDHVVWHJ-CYBMUJFWSA-N 2 0 348.451 -0.016 20 0 EBADRP Cc1noc(CCC[NH2+]C[C@H](O)CNC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001320236887 838721878 /nfs/dbraw/zinc/72/18/78/838721878.db2.gz CTHJHVGKANPGSJ-UONOGXRCSA-N 2 0 339.440 -0.138 20 0 EBADRP O=C(NCC[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001320242108 838724919 /nfs/dbraw/zinc/72/49/19/838724919.db2.gz KTAKJRZUULKYKZ-CQSZACIVSA-N 2 0 338.452 -0.792 20 0 EBADRP C[C@H](CC[NH2+]CCN(C)S(C)(=O)=O)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001320371927 838760977 /nfs/dbraw/zinc/76/09/77/838760977.db2.gz NECNRJNLKBLSAV-OLZOCXBDSA-N 2 0 334.486 -0.544 20 0 EBADRP C[C@@H](CC[NH2+]CCN1CCNC1=O)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001320608036 838801562 /nfs/dbraw/zinc/80/15/62/838801562.db2.gz MVZXBQGGHDRSCT-UONOGXRCSA-N 2 0 325.457 -0.162 20 0 EBADRP CCN(CC[NH2+]CC(=O)N1CCO[C@@H](C)C1)C(=O)CC[NH+](C)C ZINC001320830989 838844291 /nfs/dbraw/zinc/84/42/91/838844291.db2.gz SOEJXHDJRKUIKF-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC001321353777 838969806 /nfs/dbraw/zinc/96/98/06/838969806.db2.gz DIFIVUBYKRSMAE-ZIAGYGMSSA-N 2 0 326.441 -0.767 20 0 EBADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCN1CCNC1=O ZINC001321841475 839085125 /nfs/dbraw/zinc/08/51/25/839085125.db2.gz AOURYRREIZNQTM-UONOGXRCSA-N 2 0 325.457 -0.021 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001322550330 839199447 /nfs/dbraw/zinc/19/94/47/839199447.db2.gz YGSDAOYRJRPVIW-ZDUSSCGKSA-N 2 0 341.456 -0.246 20 0 EBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC001322696467 839236293 /nfs/dbraw/zinc/23/62/93/839236293.db2.gz XCZRNTIDOKBUKQ-LSDHHAIUSA-N 2 0 339.484 -0.851 20 0 EBADRP CN(CCC[NH2+]CC(=O)NC(N)=O)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001322843761 839284570 /nfs/dbraw/zinc/28/45/70/839284570.db2.gz IRYWMYGPOFYLTL-UHFFFAOYSA-N 2 0 349.435 -0.005 20 0 EBADRP C[C@@H](NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)C1=CC[NH+](C)CC1 ZINC001322961653 839306387 /nfs/dbraw/zinc/30/63/87/839306387.db2.gz ITHXQMSECRAXBL-HIFRSBDPSA-N 2 0 337.468 -0.885 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[NH+]2CCC[C@H]2C1 ZINC001322961297 839306736 /nfs/dbraw/zinc/30/67/36/839306736.db2.gz FTQDYIJPDGGDNX-GJZGRUSLSA-N 2 0 337.468 -0.955 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001322961296 839307604 /nfs/dbraw/zinc/30/76/04/839307604.db2.gz FTQDYIJPDGGDNX-CABCVRRESA-N 2 0 337.468 -0.955 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001323247204 839388370 /nfs/dbraw/zinc/38/83/70/839388370.db2.gz RGJPKPJVRYOAAU-SOUVJXGZSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)CC[NH+](C)C ZINC001324080455 839589579 /nfs/dbraw/zinc/58/95/79/839589579.db2.gz ITBMHDWMWYBOIL-QWHCGFSZSA-N 2 0 334.486 -0.544 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001324181094 839602609 /nfs/dbraw/zinc/60/26/09/839602609.db2.gz NTLPIDQGGTUGEB-KBPBESRZSA-N 2 0 346.497 -0.400 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCCN2C(=O)CCCC[NH+](C)C)nc1=O ZINC001324259772 839618346 /nfs/dbraw/zinc/61/83/46/839618346.db2.gz ALKMPDCZVJIUJI-ZDUSSCGKSA-N 2 0 338.456 -0.079 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCOCCO)C1 ZINC001325096436 839777685 /nfs/dbraw/zinc/77/76/85/839777685.db2.gz IACJKYMIJLBLFT-RDJZCZTQSA-N 2 0 343.468 -0.579 20 0 EBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001325393023 839858531 /nfs/dbraw/zinc/85/85/31/839858531.db2.gz KKIPVCKNSWUZNF-MELADBBJSA-N 2 0 326.441 -0.448 20 0 EBADRP C[C@H]1C[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC001325646090 839905157 /nfs/dbraw/zinc/90/51/57/839905157.db2.gz HZBXQHHZVOGDQO-GJZGRUSLSA-N 2 0 342.484 -0.131 20 0 EBADRP Cn1cncc1C[NH2+]CCN(CCO)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001326024390 840006001 /nfs/dbraw/zinc/00/60/01/840006001.db2.gz TZFKAJKYEWMCJV-INIZCTEOSA-N 2 0 335.452 -0.328 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N(CCO)CC[NH2+]CCN1CCCC1=O ZINC001326046169 840015798 /nfs/dbraw/zinc/01/57/98/840015798.db2.gz SXVNQOGWBMMRBA-HNNXBMFYSA-N 2 0 340.468 -0.496 20 0 EBADRP [NH3+]CCCCn1cc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)nn1 ZINC001326060658 840020317 /nfs/dbraw/zinc/02/03/17/840020317.db2.gz KWNULBVSPBYGSR-CQSZACIVSA-N 2 0 336.440 -0.189 20 0 EBADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N(CCO)CC[NH2+]CC(N)=O)C1 ZINC001326092420 840031162 /nfs/dbraw/zinc/03/11/62/840031162.db2.gz YMNMTCRRPLIUMD-HNNXBMFYSA-N 2 0 332.420 -0.905 20 0 EBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC001326182066 840058624 /nfs/dbraw/zinc/05/86/24/840058624.db2.gz DGNQVYHXLJGSCN-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[NH+]1CCN([C@H](C)CNC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC001326407405 840101391 /nfs/dbraw/zinc/10/13/91/840101391.db2.gz COWRNCHTKCIQNQ-CQSZACIVSA-N 2 0 337.472 -0.227 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001326546391 840131623 /nfs/dbraw/zinc/13/16/23/840131623.db2.gz FFDIDEOHLPWPTG-KBPBESRZSA-N 2 0 327.473 -0.628 20 0 EBADRP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC001326584141 840141092 /nfs/dbraw/zinc/14/10/92/840141092.db2.gz RZWQPFXIFLRNSK-PMOUVXMZSA-N 2 0 348.451 -0.728 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C)C2)cn1 ZINC001326740871 840190787 /nfs/dbraw/zinc/19/07/87/840190787.db2.gz KLNKXNGDFSHHSO-CYBMUJFWSA-N 2 0 336.440 -0.159 20 0 EBADRP CC[NH+]1CCN(CCCNC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC001326767006 840195877 /nfs/dbraw/zinc/19/58/77/840195877.db2.gz NCXNAENLIGCGBG-UHFFFAOYSA-N 2 0 349.483 -0.040 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)CCC[NH+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001327259132 840343892 /nfs/dbraw/zinc/34/38/92/840343892.db2.gz ZXKKPTYDBDTJPN-ZIAGYGMSSA-N 2 0 338.452 -0.086 20 0 EBADRP C[C@@H](CCNC(=O)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1)[NH+](C)C ZINC001327458747 840425358 /nfs/dbraw/zinc/42/53/58/840425358.db2.gz VYVUDULSKNQJNZ-LBPRGKRZSA-N 2 0 349.439 -0.719 20 0 EBADRP CC(C)([NH3+])CNC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001327842752 840531951 /nfs/dbraw/zinc/53/19/51/840531951.db2.gz ROOKCFJFBTUZPR-UHFFFAOYSA-N 2 0 340.468 -0.153 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)CN(CC[NH3+])Cc1ccccc1 ZINC001328592846 840712141 /nfs/dbraw/zinc/71/21/41/840712141.db2.gz AAPGETZSOVXNFD-KRWDZBQOSA-N 2 0 333.480 -0.191 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)CCN1C(=O)CNC1=O ZINC001328764005 840744236 /nfs/dbraw/zinc/74/42/36/840744236.db2.gz IEDRUEKUUQMDQT-ZDUSSCGKSA-N 2 0 339.440 -0.587 20 0 EBADRP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)CC[N@@H+]1C ZINC001328818512 840759946 /nfs/dbraw/zinc/75/99/46/840759946.db2.gz XLPMEGMDUKHSPC-ILXRZTDVSA-N 2 0 339.484 -0.711 20 0 EBADRP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001329057210 840829363 /nfs/dbraw/zinc/82/93/63/840829363.db2.gz POFDDDKUHAJUQL-VXGBXAGGSA-N 2 0 339.440 -0.495 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001329071680 840833017 /nfs/dbraw/zinc/83/30/17/840833017.db2.gz YYPCMVAMYPFHTB-KCQAQPDRSA-N 2 0 338.452 -0.530 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001329201482 840872694 /nfs/dbraw/zinc/87/26/94/840872694.db2.gz CKQIPJWGZZBLON-VXGBXAGGSA-N 2 0 327.429 -0.639 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC([NH3+])CC2)C[C@H]1C[NH+](C)C ZINC001329503625 840942656 /nfs/dbraw/zinc/94/26/56/840942656.db2.gz DADCCUJFYICDTD-ZIAGYGMSSA-N 3 0 339.484 -0.866 20 0 EBADRP C[C@H](CNC(=O)CCCC[NH+](C)C)[N@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001329592755 840959533 /nfs/dbraw/zinc/95/95/33/840959533.db2.gz UAQRQUYUQSWHNK-CHWSQXEVSA-N 2 0 326.441 -0.040 20 0 EBADRP Cn1cc(CC[NH2+]C[C@@H]2C[C@@H](NC(=O)[C@@H]3CN(C)CCO3)C2)cn1 ZINC001330583499 841239717 /nfs/dbraw/zinc/23/97/17/841239717.db2.gz NEITVEXXTKGDRZ-JYJNAYRXSA-N 2 0 335.452 -0.222 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001330918865 841296540 /nfs/dbraw/zinc/29/65/40/841296540.db2.gz UAGJCPIEZYLPSB-QWHCGFSZSA-N 2 0 341.456 -0.342 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001331133681 841347029 /nfs/dbraw/zinc/34/70/29/841347029.db2.gz JHTBYUTXTWRRQN-LSDHHAIUSA-N 2 0 338.452 -0.434 20 0 EBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001331156562 841357856 /nfs/dbraw/zinc/35/78/56/841357856.db2.gz WYNUAIKRFOFFGQ-JOCQHMNTSA-N 2 0 340.468 -0.155 20 0 EBADRP CN1CC[C@@H]([N@H+](C)CCOCCNC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001331162297 841359830 /nfs/dbraw/zinc/35/98/30/841359830.db2.gz VOBJKBJHOPAKJW-ZIAGYGMSSA-N 2 0 326.441 -0.767 20 0 EBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC2)C1 ZINC001331218612 841372780 /nfs/dbraw/zinc/37/27/80/841372780.db2.gz DJOICOHFJWJVOZ-QLFBSQMISA-N 2 0 337.468 -0.922 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC001331320304 841392596 /nfs/dbraw/zinc/39/25/96/841392596.db2.gz UFBORVHKWKOCJP-ZDUSSCGKSA-N 2 0 348.451 -0.697 20 0 EBADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H](C[NH2+]CCN1CCNC1=O)C1CC1 ZINC001331346213 841395400 /nfs/dbraw/zinc/39/54/00/841395400.db2.gz JIXJJTBPIZSJFW-HNNXBMFYSA-N 2 0 349.479 -0.066 20 0 EBADRP O=C(NCCCN1CC[NH2+]CC1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001331394937 841402166 /nfs/dbraw/zinc/40/21/66/841402166.db2.gz ZYUWAWXINBSKGI-OAHLLOKOSA-N 2 0 339.484 -0.260 20 0 EBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCCC(C)(C)[NH3+])C2)CC1 ZINC001331591429 841433804 /nfs/dbraw/zinc/43/38/04/841433804.db2.gz ZMIZBACKDRVZNJ-ZDUSSCGKSA-N 3 0 339.484 -0.485 20 0 EBADRP C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCC2([NH3+])CCOCC2)CC[N@@H+]1C ZINC001331605161 841436789 /nfs/dbraw/zinc/43/67/89/841436789.db2.gz GKYXVSRCGYGJOE-STQMWFEESA-N 2 0 326.441 -0.448 20 0 EBADRP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCS(=O)(=O)N(C)C ZINC001331633048 841445509 /nfs/dbraw/zinc/44/55/09/841445509.db2.gz UKDVIYXZQJRDGR-KGLIPLIRSA-N 2 0 348.513 -0.344 20 0 EBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC001331754164 841483302 /nfs/dbraw/zinc/48/33/02/841483302.db2.gz OGQWLNZQIYUEMC-ZDUSSCGKSA-N 2 0 326.441 -0.589 20 0 EBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001332269167 841602848 /nfs/dbraw/zinc/60/28/48/841602848.db2.gz DPTHOKKWWLWBMB-UONOGXRCSA-N 2 0 340.468 -0.282 20 0 EBADRP CN(C[C@H](O)C[NH2+]CCc1cnn(C)c1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001332527723 841661095 /nfs/dbraw/zinc/66/10/95/841661095.db2.gz DCFUPQMXJOXXML-HZPDHXFCSA-N 2 0 337.468 -0.144 20 0 EBADRP CCn1cc(CC[NH2+]C[C@@H](O)CN(C)C(=O)C23CC[NH+](CC2)C3)cn1 ZINC001332591617 841681626 /nfs/dbraw/zinc/68/16/26/841681626.db2.gz KGKFMFXWSFPVQF-MRXNPFEDSA-N 2 0 349.479 -0.050 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC001332976825 841773969 /nfs/dbraw/zinc/77/39/69/841773969.db2.gz SVIWPFRJHMSCCV-WMLDXEAASA-N 2 0 340.468 -0.140 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001333152003 841807235 /nfs/dbraw/zinc/80/72/35/841807235.db2.gz CPRAKIIBIWCUNH-HSBZDZAISA-N 2 0 346.497 -0.544 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001333626574 841918559 /nfs/dbraw/zinc/91/85/59/841918559.db2.gz SEKQMHCRRVUAKA-QWHCGFSZSA-N 2 0 325.457 -0.875 20 0 EBADRP CCN(C(=O)C(=O)NC1CC[NH+](CCOC)CC1)[C@H]1CC[NH2+]C1 ZINC001333909912 841963852 /nfs/dbraw/zinc/96/38/52/841963852.db2.gz OIHUSTSGXFZJRE-AWEZNQCLSA-N 2 0 326.441 -0.576 20 0 EBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC001333979432 841980156 /nfs/dbraw/zinc/98/01/56/841980156.db2.gz MFJLVNZFIXYUPN-AWEZNQCLSA-N 2 0 337.468 -0.907 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)C[NH+]1CCN(C)CC1 ZINC001335195884 842220833 /nfs/dbraw/zinc/22/08/33/842220833.db2.gz DLZGOQWBBGVZCT-CABCVRRESA-N 2 0 339.484 -0.817 20 0 EBADRP C[NH+](C)CCOCC(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001335291638 842252007 /nfs/dbraw/zinc/25/20/07/842252007.db2.gz QSTUHUDIZTYZCW-CQSZACIVSA-N 2 0 342.484 -0.131 20 0 EBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC001335692299 842335467 /nfs/dbraw/zinc/33/54/67/842335467.db2.gz QHKSPQUWFJKBHR-GFCCVEGCSA-N 2 0 334.424 -0.091 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC001336574424 842497320 /nfs/dbraw/zinc/49/73/20/842497320.db2.gz UNGLRKSIMGIKDO-UHFFFAOYSA-N 2 0 325.457 -0.872 20 0 EBADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001336647893 842525344 /nfs/dbraw/zinc/52/53/44/842525344.db2.gz WHRQEGGLFPJVOL-CBBWQLFWSA-N 2 0 336.436 -0.635 20 0 EBADRP [NH3+]C1CCN(CCNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001336672593 842533288 /nfs/dbraw/zinc/53/32/88/842533288.db2.gz VPGRBDSPSMCLDC-OAHLLOKOSA-N 2 0 337.468 -0.778 20 0 EBADRP C[NH+]1CCN(CC[NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC001336709895 842537814 /nfs/dbraw/zinc/53/78/14/842537814.db2.gz JHGXQDXCUHFYJR-CQSZACIVSA-N 2 0 346.431 -0.520 20 0 EBADRP CCN(C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC001337321843 842602478 /nfs/dbraw/zinc/60/24/78/842602478.db2.gz GTPIIVISQXBGJV-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC001340087203 842969528 /nfs/dbraw/zinc/96/95/28/842969528.db2.gz FXXNSNBZRSFIEC-GFCCVEGCSA-N 2 0 334.424 -0.091 20 0 EBADRP COCC1(CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC[NH2+]CC1 ZINC001340927889 843044962 /nfs/dbraw/zinc/04/49/62/843044962.db2.gz DHBPLDSKOABCQH-ZDUSSCGKSA-N 2 0 326.441 -0.684 20 0 EBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C1CC[NH2+]CC1 ZINC001342535979 843167804 /nfs/dbraw/zinc/16/78/04/843167804.db2.gz OCEOGLSYXOVOEF-DZJNRPSUSA-N 3 0 347.507 -0.198 20 0 EBADRP [NH3+]C[C@@H](O)CC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001343489101 843242274 /nfs/dbraw/zinc/24/22/74/843242274.db2.gz WTPPEOGCAZSUEF-HNNXBMFYSA-N 2 0 340.468 -0.463 20 0 EBADRP CC(C)[NH2+]CC(=O)N1CCNCCN(C(=O)C[NH2+]C(C)C)CC1 ZINC001344861466 843341687 /nfs/dbraw/zinc/34/16/87/843341687.db2.gz SIVJFMDSWMMEKP-UHFFFAOYSA-N 2 0 327.473 -0.757 20 0 EBADRP CCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@H]2CN(C)CCO2)CC1 ZINC001344866832 843341936 /nfs/dbraw/zinc/34/19/36/843341936.db2.gz HTKPNQICMQSVMW-UKRRQHHQSA-N 2 0 340.468 -0.188 20 0 EBADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CCNCC[NH2+]CC1 ZINC001344974526 843351681 /nfs/dbraw/zinc/35/16/81/843351681.db2.gz RROGNJIVWVTLAT-UHFFFAOYSA-N 2 0 346.479 -0.385 20 0 EBADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H](O)C2(O)CCOCC2)CC1 ZINC001345182980 843372034 /nfs/dbraw/zinc/37/20/34/843372034.db2.gz NSRJYCUTQILWQZ-MRXNPFEDSA-N 2 0 329.485 -0.104 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)C[NH+]1CCN(C)CC1 ZINC001345206451 843376103 /nfs/dbraw/zinc/37/61/03/843376103.db2.gz VSVKKTCOTTVEIX-AWEZNQCLSA-N 2 0 339.484 -0.804 20 0 EBADRP C[NH2+]C1(C(=O)NCC[NH2+]CCNC(=O)C2([NH2+]C)CCC2)CCC1 ZINC001345797680 843450036 /nfs/dbraw/zinc/45/00/36/843450036.db2.gz GEODVICHQVKHGT-UHFFFAOYSA-N 3 0 325.457 -0.907 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001345941166 843463696 /nfs/dbraw/zinc/46/36/96/843463696.db2.gz AHJLAVWZLCSAIE-IKGGRYGDSA-N 2 0 337.512 -0.236 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C[C@H]1C[NH+](C)C ZINC001346047940 843474160 /nfs/dbraw/zinc/47/41/60/843474160.db2.gz JPFYVOQOCSYRDJ-KBUPBQIOSA-N 3 0 339.484 -0.962 20 0 EBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)CC[NH+](C)C1CCN(C)CC1 ZINC001346495118 843522693 /nfs/dbraw/zinc/52/26/93/843522693.db2.gz KXLIMZMJHABSJD-DOTOQJQBSA-N 2 0 337.512 -0.141 20 0 EBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)CC[NH+](C)C1CCN(C)CC1 ZINC001346495119 843523305 /nfs/dbraw/zinc/52/33/05/843523305.db2.gz KXLIMZMJHABSJD-NVXWUHKLSA-N 2 0 337.512 -0.141 20 0 EBADRP C[C@@H](CNC(=O)NCCN(C)CCC[NH+](C)C)N1CC[NH+](C)CC1 ZINC001347101282 843591754 /nfs/dbraw/zinc/59/17/54/843591754.db2.gz AVSJZZWVRWPQLZ-INIZCTEOSA-N 2 0 342.532 -0.195 20 0 EBADRP COCCOCCN1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001348845341 843757096 /nfs/dbraw/zinc/75/70/96/843757096.db2.gz DYOQHBFHORYURN-HOTGVXAUSA-N 2 0 340.468 -0.818 20 0 EBADRP CC[NH+](CC)CC(=O)NCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001349049838 843800019 /nfs/dbraw/zinc/80/00/19/843800019.db2.gz OKMDLZNGJSILGI-AWEZNQCLSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[NH+]1CCC(NC(=O)C(=O)N2CCC([NH2+]CCOC)CC2)CC1 ZINC001349622919 843922827 /nfs/dbraw/zinc/92/28/27/843922827.db2.gz GRALVDAKDMDPHO-UHFFFAOYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001349993911 843956320 /nfs/dbraw/zinc/95/63/20/843956320.db2.gz DKNHFOZRBQPMMP-PAPYEOQZSA-N 2 0 338.452 -0.572 20 0 EBADRP CN(CCCCCC[NH3+])C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001350003935 843956338 /nfs/dbraw/zinc/95/63/38/843956338.db2.gz FYRRKUCTEADXGA-AWEZNQCLSA-N 2 0 327.473 -0.674 20 0 EBADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576206587 950578959 /nfs/dbraw/zinc/57/89/59/950578959.db2.gz XZIYRGAYMNXZDN-RYUDHWBXSA-N 2 0 344.423 -0.058 20 0 EBADRP C[NH+](C)C1(C(=O)NCC[N@H+](C)CCCN2C(=O)CNC2=O)CCC1 ZINC001480873690 1125798802 /nfs/dbraw/zinc/79/88/02/1125798802.db2.gz ROWPFUMYYCRUOG-UHFFFAOYSA-N 2 0 339.440 -0.539 20 0 EBADRP C[N@H+](CC(=O)NC[C@H]1CC[NH+]([C@@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC001691146320 1125837449 /nfs/dbraw/zinc/83/74/49/1125837449.db2.gz SBFOMNBPYPVVFS-TZMCWYRMSA-N 2 0 336.436 -0.286 20 0 EBADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001691165680 1125840240 /nfs/dbraw/zinc/84/02/40/1125840240.db2.gz DBEQKJNIYLXIAB-ZIAGYGMSSA-N 2 0 338.452 -0.038 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)NC(N)=O ZINC001691374193 1125855015 /nfs/dbraw/zinc/85/50/15/1125855015.db2.gz QEENPYVPMGWIQZ-LBPRGKRZSA-N 2 0 327.429 -0.650 20 0 EBADRP CN(CCNC(=O)CC1CC[NH+](C)CC1)CC(=O)N1CCOCC1 ZINC001480920986 1125869058 /nfs/dbraw/zinc/86/90/58/1125869058.db2.gz DSXGIVMALVISSH-UHFFFAOYSA-N 2 0 340.468 -0.375 20 0 EBADRP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCN1C(=O)CNC1=O)[NH+](C)C ZINC001496207758 1125890217 /nfs/dbraw/zinc/89/02/17/1125890217.db2.gz RGYBWEPGDXBISC-NEPJUHHUSA-N 2 0 327.429 -0.685 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001691476553 1125884157 /nfs/dbraw/zinc/88/41/57/1125884157.db2.gz LSWNVHFWDOXAER-GFCCVEGCSA-N 2 0 339.440 -0.636 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001480946261 1125888960 /nfs/dbraw/zinc/88/89/60/1125888960.db2.gz LKLQJUUMIITEED-VXGBXAGGSA-N 2 0 327.429 -0.780 20 0 EBADRP CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)CC(=O)NCc1cccnc1 ZINC001480946279 1125889240 /nfs/dbraw/zinc/88/92/40/1125889240.db2.gz LTHMQKMSPBBXLX-OAHLLOKOSA-N 2 0 333.436 -0.303 20 0 EBADRP CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CCN1CCNC1=O ZINC001481011455 1125907026 /nfs/dbraw/zinc/90/70/26/1125907026.db2.gz AXTZTMBNWANEDV-AWEZNQCLSA-N 2 0 325.457 -0.209 20 0 EBADRP CCNC(=O)NC(=O)CN1CCC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001481063369 1125915709 /nfs/dbraw/zinc/91/57/09/1125915709.db2.gz JAPHJTILNKYXHB-ZDUSSCGKSA-N 2 0 341.456 -0.246 20 0 EBADRP CN(CC[NH2+]CC[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001481215461 1125945165 /nfs/dbraw/zinc/94/51/65/1125945165.db2.gz JNGPMPGCECIAKK-KBPBESRZSA-N 2 0 331.482 -0.047 20 0 EBADRP CN(CC[NH2+]C[C@H](O)COCC(F)(F)F)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481314950 1125971218 /nfs/dbraw/zinc/97/12/18/1125971218.db2.gz NZOCPKPLFZSZQJ-NEPJUHHUSA-N 2 0 341.374 -0.074 20 0 EBADRP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001481741045 1126049335 /nfs/dbraw/zinc/04/93/35/1126049335.db2.gz VOKCGHKCIUFCSZ-LBPRGKRZSA-N 2 0 325.413 -0.977 20 0 EBADRP CC[C@@H](C(=O)N(CC)[C@H]1CCN(CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001481779641 1126056327 /nfs/dbraw/zinc/05/63/27/1126056327.db2.gz VGRZROCBCRILRB-KBPBESRZSA-N 2 0 348.513 -0.201 20 0 EBADRP CC[C@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)[NH2+][C@@H](C)C(N)=O ZINC001481824524 1126059248 /nfs/dbraw/zinc/05/92/48/1126059248.db2.gz UWZRPAVJWNYDRI-QWHCGFSZSA-N 2 0 328.457 -0.297 20 0 EBADRP CCN(C(=O)CC[NH+](C)C)[C@H]1CCN(CCNS(C)(=O)=O)C1 ZINC001481773919 1126055250 /nfs/dbraw/zinc/05/52/50/1126055250.db2.gz FWNWWLPZRKRQOO-ZDUSSCGKSA-N 2 0 334.486 -0.590 20 0 EBADRP CC[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001481861128 1126062725 /nfs/dbraw/zinc/06/27/25/1126062725.db2.gz ITGCXZCASSZAJA-QWHCGFSZSA-N 2 0 341.456 -0.214 20 0 EBADRP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCOCC1 ZINC001481873527 1126063742 /nfs/dbraw/zinc/06/37/42/1126063742.db2.gz AQOQHMGLZGEXRP-KGLIPLIRSA-N 2 0 326.441 -0.719 20 0 EBADRP CC[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001481880481 1126064137 /nfs/dbraw/zinc/06/41/37/1126064137.db2.gz FMMWJGWMSPLBPT-QWHCGFSZSA-N 2 0 341.456 -0.070 20 0 EBADRP C[C@@H]([NH2+]CC1(NC(=O)COC2CC[NH+](C)CC2)CCCC1)C(N)=O ZINC001481909037 1126066186 /nfs/dbraw/zinc/06/61/86/1126066186.db2.gz QLCSVPKZZSHECG-CYBMUJFWSA-N 2 0 340.468 -0.010 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]CCN1CCNC1=O)C1CC1 ZINC001481937330 1126068010 /nfs/dbraw/zinc/06/80/10/1126068010.db2.gz LAOZZBTXKOHVCS-PBHICJAKSA-N 2 0 337.468 -0.020 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCC[C@@H]1C[NH2+]CCN1CCNC1=O ZINC001482061667 1126074874 /nfs/dbraw/zinc/07/48/74/1126074874.db2.gz WDXJXAGJVMKUOY-CQSZACIVSA-N 2 0 325.457 -0.066 20 0 EBADRP C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482320340 1126130393 /nfs/dbraw/zinc/13/03/93/1126130393.db2.gz SZUJXBVNPRANCB-KBPBESRZSA-N 2 0 348.513 -0.201 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)Nc1nncs1)N(C)C(=O)CC[NH+](C)C ZINC001482326990 1126132671 /nfs/dbraw/zinc/13/26/71/1126132671.db2.gz XIZVMXZQJPUOFJ-JTQLQIEISA-N 2 0 328.442 -0.135 20 0 EBADRP CC(C)C[C@@H](CNCc1cn(C)nn1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001482378608 1126142007 /nfs/dbraw/zinc/14/20/07/1126142007.db2.gz IITQODRKNOGCTR-ZFWWWQNUSA-N 2 0 338.456 -0.234 20 0 EBADRP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001482495774 1126185047 /nfs/dbraw/zinc/18/50/47/1126185047.db2.gz RJLXMSRFGSIWGL-VXGBXAGGSA-N 2 0 327.429 -0.650 20 0 EBADRP CC(C)[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001482570710 1126199504 /nfs/dbraw/zinc/19/95/04/1126199504.db2.gz FAOIUKUPUFBPOA-CHWSQXEVSA-N 2 0 326.441 -0.138 20 0 EBADRP CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001482551365 1126195849 /nfs/dbraw/zinc/19/58/49/1126195849.db2.gz ZICPBDFAWONJCM-AVGNSLFASA-N 2 0 341.456 -0.358 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001648976250 1126210446 /nfs/dbraw/zinc/21/04/46/1126210446.db2.gz KNLJMCMICWUYDQ-DOTOQJQBSA-N 2 0 326.485 -0.119 20 0 EBADRP CCn1nncc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482729786 1126269087 /nfs/dbraw/zinc/26/90/87/1126269087.db2.gz QMIGDUFINAUBQL-CABCVRRESA-N 2 0 336.440 -0.794 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC(C)(C)C ZINC001482742301 1126274110 /nfs/dbraw/zinc/27/41/10/1126274110.db2.gz PTWBXRVTBPNRDD-ZIAGYGMSSA-N 2 0 342.484 -0.300 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCC2)C1 ZINC001482762359 1126280575 /nfs/dbraw/zinc/28/05/75/1126280575.db2.gz OSNYYUOLQSEBNX-HUUCEWRRSA-N 2 0 340.468 -0.593 20 0 EBADRP Cc1nnsc1C[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001482764143 1126281457 /nfs/dbraw/zinc/28/14/57/1126281457.db2.gz KIELQPXWFHLITA-LBPRGKRZSA-N 2 0 327.454 -0.245 20 0 EBADRP Cn1nccc1CC[NH2+]C[C@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001482773336 1126284608 /nfs/dbraw/zinc/28/46/08/1126284608.db2.gz AJKNPBXHHTUGFX-INIZCTEOSA-N 2 0 337.468 -0.239 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCCC(C)(C)C)C1 ZINC001482790833 1126292433 /nfs/dbraw/zinc/29/24/33/1126292433.db2.gz KMKANTBAWQISSZ-KGLIPLIRSA-N 2 0 342.484 -0.443 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+][C@@H](C)C(=O)NC(N)=O)CC[N@@H+]1C ZINC001482924008 1126302803 /nfs/dbraw/zinc/30/28/03/1126302803.db2.gz CAYWHWYFJFHKLU-RWMBFGLXSA-N 2 0 341.456 -0.262 20 0 EBADRP CCN(CC[NH2+]CCN1CCNC1=O)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001482933143 1126303914 /nfs/dbraw/zinc/30/39/14/1126303914.db2.gz ABMQFOWXOWMRAX-CQSZACIVSA-N 2 0 325.457 -0.066 20 0 EBADRP O=C(NC/C=C/C[NH2+][C@H]1CCC(=O)NC1=O)C12CCC[NH+](CCC1)C2 ZINC001483025421 1126314744 /nfs/dbraw/zinc/31/47/44/1126314744.db2.gz WMIUSXKVDWJQMB-YUKKFKLSSA-N 2 0 348.447 -0.070 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483160874 1126348602 /nfs/dbraw/zinc/34/86/02/1126348602.db2.gz MPYRBPOEUFYLTR-AGIUHOORSA-N 2 0 341.456 -0.343 20 0 EBADRP C[C@H](C[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)NC(=O)CC[NH+](C)C ZINC001483162621 1126349134 /nfs/dbraw/zinc/34/91/34/1126349134.db2.gz JQILVNVVBFOABA-TZMCWYRMSA-N 2 0 336.440 -0.429 20 0 EBADRP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CCN1CCCS1(=O)=O)[NH+](C)C ZINC001483185441 1126351437 /nfs/dbraw/zinc/35/14/37/1126351437.db2.gz KPIVULJKRSCBEJ-ZIAGYGMSSA-N 2 0 348.513 -0.298 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001483197413 1126352541 /nfs/dbraw/zinc/35/25/41/1126352541.db2.gz IUJCRTFKSFAIOW-NEPJUHHUSA-N 2 0 329.445 -0.345 20 0 EBADRP C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483228396 1126355876 /nfs/dbraw/zinc/35/58/76/1126355876.db2.gz GXJNKVIQQTWYBS-JSGCOSHPSA-N 2 0 346.497 -0.686 20 0 EBADRP O=C(N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)[C@]12CC[C@H]1C[NH2+]C2 ZINC001649007500 1126360025 /nfs/dbraw/zinc/36/00/25/1126360025.db2.gz IUUIYKOVSFNDOQ-OGIUKLMXSA-N 2 0 347.463 -0.267 20 0 EBADRP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[N@H+](C)CCN1CCNC1=O ZINC001409587787 1126380233 /nfs/dbraw/zinc/38/02/33/1126380233.db2.gz YFHMYBBWTDUCGR-DZGCQCFKSA-N 2 0 337.468 -0.210 20 0 EBADRP C[C@@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483240665 1126409198 /nfs/dbraw/zinc/40/91/98/1126409198.db2.gz JZNRGKYUXKEZLD-KKUMJFAQSA-N 2 0 340.468 -0.452 20 0 EBADRP C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001483266349 1126412203 /nfs/dbraw/zinc/41/22/03/1126412203.db2.gz INJCQXGNKFIRLO-STQMWFEESA-N 2 0 334.486 -0.686 20 0 EBADRP C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)CC1CC[NH+](C)CC1 ZINC001483272440 1126412515 /nfs/dbraw/zinc/41/25/15/1126412515.db2.gz XSLASXHIJLAGDB-QWRGUYRKSA-N 2 0 327.429 -0.604 20 0 EBADRP C[C@@H](C[NH2+]CCS(C)(=O)=O)NC(=O)COC1CC[NH+](C)CC1 ZINC001483278517 1126413267 /nfs/dbraw/zinc/41/32/67/1126413267.db2.gz AGPOSVVZXXFOPN-LBPRGKRZSA-N 2 0 335.470 -0.764 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001483465563 1126429191 /nfs/dbraw/zinc/42/91/91/1126429191.db2.gz LNOWAVPHFFTXPB-CYBMUJFWSA-N 2 0 338.456 -0.081 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001483465564 1126429225 /nfs/dbraw/zinc/42/92/25/1126429225.db2.gz LNOWAVPHFFTXPB-ZDUSSCGKSA-N 2 0 338.456 -0.081 20 0 EBADRP CN(CCC[NH2+]Cc1nnnn1C)C(=O)COC1CC[NH+](C)CC1 ZINC001483500055 1126431498 /nfs/dbraw/zinc/43/14/98/1126431498.db2.gz ICFHMLMXBFRSBJ-UHFFFAOYSA-N 2 0 339.444 -0.741 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001483439300 1126428106 /nfs/dbraw/zinc/42/81/06/1126428106.db2.gz APZXVKWRZGGHER-STQMWFEESA-N 2 0 341.456 -0.212 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCCS(C)(=O)=O)C1CC1 ZINC001483551388 1126433128 /nfs/dbraw/zinc/43/31/28/1126433128.db2.gz ZIMZFZXTVPJTQD-UONOGXRCSA-N 2 0 331.482 0.000 20 0 EBADRP C[NH+](C)C1(C(=O)N[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C2CC2)CCC1 ZINC001483566794 1126435308 /nfs/dbraw/zinc/43/53/08/1126435308.db2.gz UGIJNIBVJDNSJQ-OLZOCXBDSA-N 2 0 336.436 -0.240 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCCCCN1CC(=O)NC(N)=O ZINC001409827435 1126444793 /nfs/dbraw/zinc/44/47/93/1126444793.db2.gz CBVWLPITOWTJLS-ZDUSSCGKSA-N 2 0 341.456 -0.116 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+]C[C@@H](O)Cn3cccn3)CC2)C1 ZINC001483768007 1126474540 /nfs/dbraw/zinc/47/45/40/1126474540.db2.gz UJEDAOZCLAKNGX-HUUCEWRRSA-N 2 0 335.452 -0.176 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@]2(CC[NH+](CC(=O)NC(N)=O)C2)C1 ZINC001483847952 1126482327 /nfs/dbraw/zinc/48/23/27/1126482327.db2.gz OXQRTSBUBBIDNK-INIZCTEOSA-N 2 0 339.440 -0.554 20 0 EBADRP CS(=O)(=O)NCC[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001483955539 1126493187 /nfs/dbraw/zinc/49/31/87/1126493187.db2.gz KLCINFTZNPUGIY-ZDUSSCGKSA-N 2 0 332.470 -0.788 20 0 EBADRP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)c1ccn(CC[NH+](C)C)n1)C(N)=O ZINC001483930048 1126490547 /nfs/dbraw/zinc/49/05/47/1126490547.db2.gz WOHJSMKCVKYNDV-OLZOCXBDSA-N 2 0 336.440 -0.487 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCN([C@H]2CC[NH+]([C@@H](C)C(N)=O)C2)CC1 ZINC001484024745 1126498958 /nfs/dbraw/zinc/49/89/58/1126498958.db2.gz CAWZCSUQNIHKGJ-GJZGRUSLSA-N 2 0 339.484 -0.581 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001484953627 1126657972 /nfs/dbraw/zinc/65/79/72/1126657972.db2.gz WQODOZDGVGMQIV-KBPBESRZSA-N 2 0 340.468 -0.324 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2(CO)CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC001485027208 1126667557 /nfs/dbraw/zinc/66/75/57/1126667557.db2.gz NWOQOCYNRHIVRW-LSDHHAIUSA-N 2 0 325.453 -0.082 20 0 EBADRP CN(C(=O)C(C)(C)C[NH+]1CCOCC1)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001485815610 1126849005 /nfs/dbraw/zinc/84/90/05/1126849005.db2.gz MTQCZMHFLIFRDY-AWEZNQCLSA-N 2 0 340.468 -0.343 20 0 EBADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)[C@H]1CC(=O)N(C3C[NH2+]C3)C1)C2 ZINC001649052291 1126865295 /nfs/dbraw/zinc/86/52/95/1126865295.db2.gz AOSXKEXNXBPRSS-VIFPVBQESA-N 2 0 335.433 -0.693 20 0 EBADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H](C[NH2+]CCN1CCNC1=O)C1CC1 ZINC001485835554 1126890267 /nfs/dbraw/zinc/89/02/67/1126890267.db2.gz YZXCRUFETIRTBW-HUUCEWRRSA-N 2 0 337.468 -0.210 20 0 EBADRP C[C@H](CN(C)C(=O)c1ccn(CC[NH+](C)C)n1)[NH2+][C@H]1CCNC1=O ZINC001485875731 1126904289 /nfs/dbraw/zinc/90/42/89/1126904289.db2.gz BJAIRJXGCICTFK-OLZOCXBDSA-N 2 0 336.440 -0.617 20 0 EBADRP C[C@H](CN(C)C(=O)c1ccn(CC[NH+](C)C)n1)[NH2+][C@@H]1CCNC1=O ZINC001485875730 1126904707 /nfs/dbraw/zinc/90/47/07/1126904707.db2.gz BJAIRJXGCICTFK-CHWSQXEVSA-N 2 0 336.440 -0.617 20 0 EBADRP C[C@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CC(=O)NC(N)=O ZINC001485929686 1126922518 /nfs/dbraw/zinc/92/25/18/1126922518.db2.gz CEJOGEIKQVFBQC-OLZOCXBDSA-N 2 0 341.456 -0.118 20 0 EBADRP C[C@H](CN(C)C(=O)CCC[NH+]1CCCCC1)[NH2+]CC(=O)NC(N)=O ZINC001485957295 1126938817 /nfs/dbraw/zinc/93/88/17/1126938817.db2.gz BPKMUAHBURWBQH-CYBMUJFWSA-N 2 0 341.456 -0.116 20 0 EBADRP C[NH+]1CCC(OCC(=O)NC[C@H](CO)[NH2+]C[C@@H]2CCOC2)CC1 ZINC001486047287 1126994875 /nfs/dbraw/zinc/99/48/75/1126994875.db2.gz HNCNIRDZKFVQHW-UONOGXRCSA-N 2 0 329.441 -0.800 20 0 EBADRP C[NH+]1CCC(OCC(=O)NC[C@@H](CO)[NH2+]C[C@@H]2CCOC2)CC1 ZINC001486047285 1126994932 /nfs/dbraw/zinc/99/49/32/1126994932.db2.gz HNCNIRDZKFVQHW-KBPBESRZSA-N 2 0 329.441 -0.800 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]Cc2cccc(C(N)=O)c2)CC1 ZINC001486029541 1127000396 /nfs/dbraw/zinc/00/03/96/1127000396.db2.gz BAWIICSESQEVQB-INIZCTEOSA-N 2 0 348.447 -0.306 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001486304082 1127108462 /nfs/dbraw/zinc/10/84/62/1127108462.db2.gz YHEUJXDDTUXYPM-HUUCEWRRSA-N 2 0 342.484 -0.254 20 0 EBADRP COC[C@@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001486338641 1127140738 /nfs/dbraw/zinc/14/07/38/1127140738.db2.gz GQAXOJPDPRAPDN-CABCVRRESA-N 2 0 343.468 -0.627 20 0 EBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)N(C)C(=O)COCC[NH+](C)C ZINC001486913318 1127333183 /nfs/dbraw/zinc/33/31/83/1127333183.db2.gz DNVXPFYMCDWSIG-CQSZACIVSA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001487179666 1127422189 /nfs/dbraw/zinc/42/21/89/1127422189.db2.gz OLISSFXORUXKFN-UONOGXRCSA-N 2 0 340.468 -0.521 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)C[NH+]4CCCC4)[C@@H]3C2)C1 ZINC001487312018 1127462160 /nfs/dbraw/zinc/46/21/60/1127462160.db2.gz VLGXCHAHAPINGS-FPCVCCKLSA-N 2 0 334.464 -0.146 20 0 EBADRP CC[C@@H](C(=O)NC[C@H](O)CNC(=O)CC1CC[NH+](C)CC1)[NH+](C)C ZINC001410117903 1127582024 /nfs/dbraw/zinc/58/20/24/1127582024.db2.gz QKBCWLINIGCQEL-CABCVRRESA-N 2 0 342.484 -0.348 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001410126735 1127591229 /nfs/dbraw/zinc/59/12/29/1127591229.db2.gz LXRJWLOUKGKHKE-OAHLLOKOSA-N 2 0 347.419 -0.119 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001410149493 1127628035 /nfs/dbraw/zinc/62/80/35/1127628035.db2.gz ZJDNELMPTKGADU-YHUYYLMFSA-N 2 0 335.452 -0.510 20 0 EBADRP CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)C[N@@H+]1CCC(C)(C)C1)[NH+](C)C ZINC001410150402 1127628484 /nfs/dbraw/zinc/62/84/84/1127628484.db2.gz OWHIAYXKOHSPJN-KBPBESRZSA-N 2 0 342.484 -0.348 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001410432648 1127713172 /nfs/dbraw/zinc/71/31/72/1127713172.db2.gz IIRSSHALRILRFP-STQMWFEESA-N 2 0 343.472 -0.003 20 0 EBADRP CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(N)=O)[NH+]1CCCC1 ZINC001410512618 1127731981 /nfs/dbraw/zinc/73/19/81/1127731981.db2.gz OCLKPQCFNDBEDN-JSGCOSHPSA-N 2 0 341.456 -0.262 20 0 EBADRP O=C(NC[C@@H](CO)[NH2+]CCn1cccn1)C12CCC[NH+](CCC1)C2 ZINC001410675202 1127806252 /nfs/dbraw/zinc/80/62/52/1127806252.db2.gz ULTVENKAYXAAGX-HNNXBMFYSA-N 2 0 335.452 -0.174 20 0 EBADRP Cc1cn(C(C)(C)C(=O)NC[C@@H](CO)[NH2+][C@H]2CCN(C)C2=O)cn1 ZINC001410678814 1127809228 /nfs/dbraw/zinc/80/92/28/1127809228.db2.gz WXEAZWPSPTXLCO-STQMWFEESA-N 2 0 337.424 -0.776 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)[NH2+]CCn2cc(Cl)cn2)C1 ZINC001410746931 1127859189 /nfs/dbraw/zinc/85/91/89/1127859189.db2.gz DIHPWRJISGXTDA-GXTWGEPZSA-N 2 0 343.859 -0.055 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)[NH2+]CCn2cc(Cl)cn2)C1 ZINC001410746952 1127859244 /nfs/dbraw/zinc/85/92/44/1127859244.db2.gz DIHPWRJISGXTDA-OCCSQVGLSA-N 2 0 343.859 -0.055 20 0 EBADRP CC(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001410761838 1127868384 /nfs/dbraw/zinc/86/83/84/1127868384.db2.gz CABUBFVHZBBYST-HNNXBMFYSA-N 2 0 342.484 -0.302 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)NCC(=O)N(C)C1CC1 ZINC001410797278 1127898780 /nfs/dbraw/zinc/89/87/80/1127898780.db2.gz CHETXKRRTHBWIK-ZFWWWQNUSA-N 2 0 340.468 -0.452 20 0 EBADRP CCn1nncc1C[NH2+]C[C@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001411047470 1127986417 /nfs/dbraw/zinc/98/64/17/1127986417.db2.gz VBVISYSULJFSOI-AWEZNQCLSA-N 2 0 338.456 -0.309 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001411050532 1127987869 /nfs/dbraw/zinc/98/78/69/1127987869.db2.gz ALXGIDRITZORGA-HZSPNIEDSA-N 2 0 342.484 -0.350 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001411095509 1128013888 /nfs/dbraw/zinc/01/38/88/1128013888.db2.gz LADQFTHRUPVQJE-NHYWBVRUSA-N 2 0 332.420 -0.907 20 0 EBADRP CN(C[C@H](O)C[NH2+]CC(=O)Nc1ccon1)C(=O)C[NH+]1CCCC1 ZINC001411132253 1128027796 /nfs/dbraw/zinc/02/77/96/1128027796.db2.gz YGTRSRZBFUPHFX-GFCCVEGCSA-N 2 0 339.396 -0.882 20 0 EBADRP CCC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]CC(=O)NC(=O)NC)C1 ZINC001411288075 1128120727 /nfs/dbraw/zinc/12/07/27/1128120727.db2.gz YQZZKACJKAVFHW-UHFFFAOYSA-N 2 0 341.456 -0.247 20 0 EBADRP CCCCCC[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001135441008 1128136528 /nfs/dbraw/zinc/13/65/28/1128136528.db2.gz XGJKSHZCWCGESX-LBPRGKRZSA-N 2 0 329.445 -0.212 20 0 EBADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092508391 1128250059 /nfs/dbraw/zinc/25/00/59/1128250059.db2.gz ZKWDKALDNAWGIX-RBSFLKMASA-N 2 0 337.468 -0.210 20 0 EBADRP C[C@@H]1C[N@H+](CCCO)C[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001092838931 1128278865 /nfs/dbraw/zinc/27/88/65/1128278865.db2.gz YZMRUWAMTXKIHI-HCBPCCMXSA-N 2 0 337.464 -0.084 20 0 EBADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001092909162 1128283189 /nfs/dbraw/zinc/28/31/89/1128283189.db2.gz BKBAFTFWOSGXSV-RBSFLKMASA-N 2 0 340.468 -0.474 20 0 EBADRP Cc1ncc2n1C[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C)CC2 ZINC001092919407 1128284202 /nfs/dbraw/zinc/28/42/02/1128284202.db2.gz NYOIHOXYCZFROA-KWCYVHTRSA-N 2 0 333.436 -0.077 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187835373 1128355868 /nfs/dbraw/zinc/35/58/68/1128355868.db2.gz VGORYVUSMMTVRU-CQSZACIVSA-N 2 0 326.441 -0.575 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H](CO)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001488002945 1128539584 /nfs/dbraw/zinc/53/95/84/1128539584.db2.gz UQAWLMJCFISBSX-KKUMJFAQSA-N 2 0 342.484 -0.348 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001488079854 1128585822 /nfs/dbraw/zinc/58/58/22/1128585822.db2.gz KSCYOPMUKLSVML-KGLIPLIRSA-N 2 0 328.457 -0.594 20 0 EBADRP CN(C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)C1([NH+](C)C)CCC1 ZINC001488370090 1128707690 /nfs/dbraw/zinc/70/76/90/1128707690.db2.gz NJZANNAMUZFQAI-UONOGXRCSA-N 2 0 340.468 -0.642 20 0 EBADRP CN(C[C@H](O)CNC(=O)CCC[NH+](C)C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001488376609 1128714411 /nfs/dbraw/zinc/71/44/11/1128714411.db2.gz MYYFTXYXIUVYEU-CABCVRRESA-N 2 0 342.484 -0.252 20 0 EBADRP CN(C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CCC[NH+](C)C ZINC001488429828 1128768440 /nfs/dbraw/zinc/76/84/40/1128768440.db2.gz WMEICDRERMALOE-GJZGRUSLSA-N 2 0 342.484 -0.300 20 0 EBADRP COCCN(CCNC(=O)C[NH+]1CCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001488536087 1128782985 /nfs/dbraw/zinc/78/29/85/1128782985.db2.gz JTVMDXOLCISRGD-HNNXBMFYSA-N 2 0 340.468 -0.375 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCC[C@H]([N@H+](CCO)CCCO)C2)CC1 ZINC001489171564 1128916312 /nfs/dbraw/zinc/91/63/12/1128916312.db2.gz ZELOICOAAJUABP-INIZCTEOSA-N 2 0 327.469 -0.004 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001489585564 1129018613 /nfs/dbraw/zinc/01/86/13/1129018613.db2.gz PYCVRYAVSZOVHR-TUVASFSCSA-N 2 0 340.468 -0.644 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)CCN(C)S(C)(=O)=O)CC[N@@H+]1C ZINC001490196298 1129145814 /nfs/dbraw/zinc/14/58/14/1129145814.db2.gz MYKKIQLUEMXIIU-ZIAGYGMSSA-N 2 0 348.513 -0.344 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH+](CCN2CCNC2=O)C2CC2)C1 ZINC001490394788 1129171359 /nfs/dbraw/zinc/17/13/59/1129171359.db2.gz ZCBCHYGPLYRQOB-AWEZNQCLSA-N 2 0 337.468 -0.066 20 0 EBADRP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001414041363 1131343756 /nfs/dbraw/zinc/34/37/56/1131343756.db2.gz WCDCYROSDDMWDQ-RBSFLKMASA-N 2 0 340.468 -0.378 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001414047992 1131351643 /nfs/dbraw/zinc/35/16/43/1131351643.db2.gz IYRIWGBZVFUJQH-KGLIPLIRSA-N 2 0 326.441 -0.888 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@H]([NH2+]CC(=O)NC(N)=O)C2CC2)CC1 ZINC001490700864 1129249833 /nfs/dbraw/zinc/24/98/33/1129249833.db2.gz OBWPSMBHHVPLJX-LBPRGKRZSA-N 2 0 325.413 -0.993 20 0 EBADRP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CCN(C)S(C)(=O)=O ZINC001441655964 1129270281 /nfs/dbraw/zinc/27/02/81/1129270281.db2.gz ITMUMOMWVTYAEV-ZDUSSCGKSA-N 2 0 334.486 -0.590 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1O)[NH+](C)C ZINC001414057486 1131365555 /nfs/dbraw/zinc/36/55/55/1131365555.db2.gz YTQCOSJQFRIJDI-YCPHGPKFSA-N 2 0 342.484 -0.399 20 0 EBADRP CNC(=O)CN1CCCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC001412662924 1129587829 /nfs/dbraw/zinc/58/78/29/1129587829.db2.gz KAAAHMMCCBNBRJ-CYBMUJFWSA-N 2 0 328.482 -0.296 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001412851439 1129732616 /nfs/dbraw/zinc/73/26/16/1129732616.db2.gz MJJQFBSDZLPYLQ-CABCVRRESA-N 2 0 340.468 -0.737 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001412859341 1129738244 /nfs/dbraw/zinc/73/82/44/1129738244.db2.gz KLMRJLDAVQMWSN-CABCVRRESA-N 2 0 340.468 -0.450 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001412879116 1129750547 /nfs/dbraw/zinc/75/05/47/1129750547.db2.gz LYVAZTQRKKIKAX-UONOGXRCSA-N 2 0 340.468 -0.452 20 0 EBADRP CC[C@H](C(=O)N[C@H](CO)CNC(=O)C1([NH+](C)C)CCC1)[NH+](C)C ZINC001412872776 1129751053 /nfs/dbraw/zinc/75/10/53/1129751053.db2.gz DBUBZMRJCDVGBH-QWHCGFSZSA-N 2 0 328.457 -0.596 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)CNC(=O)CC[NH+](C)C)C1 ZINC001413337844 1130026317 /nfs/dbraw/zinc/02/63/17/1130026317.db2.gz QMIOQEAUNUGWOA-UONOGXRCSA-N 2 0 328.457 -0.785 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCS(C)(=O)=O)C[C@H]1C[NH+](C)C ZINC001413730127 1130245716 /nfs/dbraw/zinc/24/57/16/1130245716.db2.gz NSNWFXSISFFSMH-CHWSQXEVSA-N 2 0 334.486 -0.588 20 0 EBADRP Cc1cc(NC(=O)C[NH2+][C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)n(C)n1 ZINC001490924720 1130265819 /nfs/dbraw/zinc/26/58/19/1130265819.db2.gz LLAZSGPPCMBVKA-JOCQHMNTSA-N 2 0 336.440 -0.144 20 0 EBADRP C[N@H+](CC(=O)N[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)C1)CC(C)(C)C ZINC001490927983 1130266360 /nfs/dbraw/zinc/26/63/60/1130266360.db2.gz GRHNXMCFPDVRDP-JOCQHMNTSA-N 2 0 348.513 -0.250 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001490957688 1130273570 /nfs/dbraw/zinc/27/35/70/1130273570.db2.gz ZPVBWCQKWLWOLG-IHRRRGAJSA-N 2 0 336.440 -0.480 20 0 EBADRP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)CC1 ZINC001491067684 1130310905 /nfs/dbraw/zinc/31/09/05/1130310905.db2.gz QONGQGCWACSFJO-OKILXGFUSA-N 2 0 336.440 -0.374 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001491120714 1130331143 /nfs/dbraw/zinc/33/11/43/1130331143.db2.gz SYPFDPLVJFUGSK-AWEZNQCLSA-N 2 0 338.452 -0.085 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@H](C[NH2+]CCNS(C)(=O)=O)C1 ZINC001491169784 1130347870 /nfs/dbraw/zinc/34/78/70/1130347870.db2.gz FPQFTHZPYZULDD-ZDUSSCGKSA-N 2 0 334.486 -0.685 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001491319611 1130398261 /nfs/dbraw/zinc/39/82/61/1130398261.db2.gz UNHIRRHPKSRBCD-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP c1nc(CN2CC[NH2+]CCNCC[NH2+]CC2)cn1-c1cnccn1 ZINC001235874481 1130531665 /nfs/dbraw/zinc/53/16/65/1130531665.db2.gz QKLZTHNCALMBNG-UHFFFAOYSA-N 2 0 330.440 -0.753 20 0 EBADRP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCN1C(=O)CNC1=O ZINC001492026853 1130580168 /nfs/dbraw/zinc/58/01/68/1130580168.db2.gz BZIIPQKGEBMOFA-JHJVBQTASA-N 2 0 339.440 -0.637 20 0 EBADRP C[NH+](C)CCOCC(=O)NC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001492093190 1130585395 /nfs/dbraw/zinc/58/53/95/1130585395.db2.gz QXQIRIMSIYCJMP-CQSZACIVSA-N 2 0 340.468 -0.377 20 0 EBADRP CN(C)S(=O)(=O)CCC[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001492303676 1130620493 /nfs/dbraw/zinc/62/04/93/1130620493.db2.gz LJVVVZDSLUFZNW-CQSZACIVSA-N 2 0 348.513 -0.200 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001413845131 1130683734 /nfs/dbraw/zinc/68/37/34/1130683734.db2.gz DSIUPFNJYVGCOU-KGLIPLIRSA-N 2 0 328.457 -0.249 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)Nc2nncs2)C1 ZINC001480197147 1130764982 /nfs/dbraw/zinc/76/49/82/1130764982.db2.gz QRRFZRWELXECCP-AXFHLTTASA-N 2 0 338.437 -0.192 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001480523996 1130825881 /nfs/dbraw/zinc/82/58/81/1130825881.db2.gz IXYPQNSBMQTJAS-RYUDHWBXSA-N 2 0 341.456 -0.343 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@H]1O ZINC001413969904 1130874498 /nfs/dbraw/zinc/87/44/98/1130874498.db2.gz PTZLUGCAVUCDHL-QLFBSQMISA-N 2 0 340.468 -0.500 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001365833619 1132824237 /nfs/dbraw/zinc/82/42/37/1132824237.db2.gz JSNMETSAFYTXHX-HAQNSBGRSA-N 2 0 339.440 -0.589 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1)C(=O)NC(N)=O ZINC001365835783 1132824989 /nfs/dbraw/zinc/82/49/89/1132824989.db2.gz VYBDQSCDGRTMDW-DDHJBXDOSA-N 2 0 325.413 -0.852 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001480680658 1132957391 /nfs/dbraw/zinc/95/73/91/1132957391.db2.gz WGRZVYGYYZBFGT-CYBMUJFWSA-N 2 0 337.424 -0.928 20 0 EBADRP CC[C@@H](C(=O)NC[C@H]([NH2+]CC(=O)N1CCOCC1)C1CC1)[NH+](C)C ZINC001366061147 1132986150 /nfs/dbraw/zinc/98/61/50/1132986150.db2.gz LGOPKQWYNYNSDJ-GJZGRUSLSA-N 2 0 340.468 -0.330 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]CC(=O)Nc2cnccn2)C2CC2)C1 ZINC001366075212 1132990711 /nfs/dbraw/zinc/99/07/11/1132990711.db2.gz GCDCEHHTTMWFGD-KBPBESRZSA-N 2 0 346.435 -0.149 20 0 EBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1)C(=O)N(C)C ZINC001366099668 1133004263 /nfs/dbraw/zinc/00/42/63/1133004263.db2.gz SDSXFNODMVIOIS-KBPBESRZSA-N 2 0 340.468 -0.236 20 0 EBADRP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001366104072 1133007193 /nfs/dbraw/zinc/00/71/93/1133007193.db2.gz VXTALAUMRCFRFK-SOUVJXGZSA-N 2 0 329.441 -0.848 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001366127655 1133018425 /nfs/dbraw/zinc/01/84/25/1133018425.db2.gz QPKPMYVMYMEXIJ-ZDEQEGDKSA-N 2 0 339.440 -0.448 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001366137519 1133022856 /nfs/dbraw/zinc/02/28/56/1133022856.db2.gz XIOQPNBRXJSESW-RNJOBUHISA-N 2 0 339.440 -0.591 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001366147559 1133026266 /nfs/dbraw/zinc/02/62/66/1133026266.db2.gz QSYMVYWTOCSUFC-RVMXOQNASA-N 2 0 339.440 -0.321 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1)C(=O)NC(N)=O ZINC001366157577 1133031413 /nfs/dbraw/zinc/03/14/13/1133031413.db2.gz XMJXNSSHFWKUQS-GARJFASQSA-N 2 0 325.413 -0.852 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001366193749 1133050091 /nfs/dbraw/zinc/05/00/91/1133050091.db2.gz RRNGQHWPEBJURY-STQMWFEESA-N 2 0 339.440 -0.506 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CCC[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001366193642 1133050588 /nfs/dbraw/zinc/05/05/88/1133050588.db2.gz ATNLFKHHJQMEFA-CYBMUJFWSA-N 2 0 326.441 -0.589 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CCC[C@@H](C[NH2+]CC(N)=O)C2)n1 ZINC001366195843 1133050635 /nfs/dbraw/zinc/05/06/35/1133050635.db2.gz SIROFBBOPXEZIG-ZDUSSCGKSA-N 2 0 336.440 -0.628 20 0 EBADRP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001366234562 1133067791 /nfs/dbraw/zinc/06/77/91/1133067791.db2.gz WYJYYMSBDXRSKY-CHWSQXEVSA-N 2 0 339.440 -0.506 20 0 EBADRP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCN1CCNC1=O ZINC001366276216 1133080827 /nfs/dbraw/zinc/08/08/27/1133080827.db2.gz KGMGPNGKPGHMFS-KGLIPLIRSA-N 2 0 325.457 -0.021 20 0 EBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001366355304 1133109242 /nfs/dbraw/zinc/10/92/42/1133109242.db2.gz CHCMQGFRMXCKBM-UONOGXRCSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)Nc1nncs1 ZINC001366359620 1133110731 /nfs/dbraw/zinc/11/07/31/1133110731.db2.gz RWMADZOCBFJAIR-NXEZZACHSA-N 2 0 326.426 -0.477 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001366364795 1133112565 /nfs/dbraw/zinc/11/25/65/1133112565.db2.gz OPKVRXDNKLXUFQ-GFCCVEGCSA-N 2 0 349.435 -0.088 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)Nc3nncs3)C2)C1 ZINC001366395385 1133128624 /nfs/dbraw/zinc/12/86/24/1133128624.db2.gz ZIDPFMWVONMBNQ-MNOVXSKESA-N 2 0 338.437 -0.381 20 0 EBADRP C[C@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCN1CCNC1=O ZINC001366460209 1133149176 /nfs/dbraw/zinc/14/91/76/1133149176.db2.gz AXTZECJXSSHPFC-HIFRSBDPSA-N 2 0 337.468 -0.162 20 0 EBADRP C[C@H](CCNC(=O)COC1CC[NH+](C)CC1)[NH2+][C@H]1CCNC1=O ZINC001366500836 1133159484 /nfs/dbraw/zinc/15/94/84/1133159484.db2.gz QIOMDJQFCFYJGF-OCCSQVGLSA-N 2 0 326.441 -0.530 20 0 EBADRP CN(CCNC(=O)[C@H]1CCCC[N@@H+]1C)CC(=O)NC[C@H]1CCCO1 ZINC001366541670 1133176944 /nfs/dbraw/zinc/17/69/44/1133176944.db2.gz WRHFFPATOTXBQR-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)[C@H](C)C(=O)NC(=O)NC ZINC001366710282 1133265297 /nfs/dbraw/zinc/26/52/97/1133265297.db2.gz XOMKAIAXKHNKEL-OLZOCXBDSA-N 2 0 341.456 -0.247 20 0 EBADRP CN(CC[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O)C(=O)C[NH+]1CCCC1 ZINC001366778519 1133294451 /nfs/dbraw/zinc/29/44/51/1133294451.db2.gz ZTKSWSPQYITNKK-CQSZACIVSA-N 2 0 348.451 -0.331 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001366830752 1133309289 /nfs/dbraw/zinc/30/92/89/1133309289.db2.gz AFLMJLGIVMRYJT-CHWSQXEVSA-N 2 0 341.456 -0.260 20 0 EBADRP CC(C)[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001366868555 1133332909 /nfs/dbraw/zinc/33/29/09/1133332909.db2.gz VBGVCCGPOBPDHK-GXTWGEPZSA-N 2 0 341.456 -0.452 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC001367033331 1133442178 /nfs/dbraw/zinc/44/21/78/1133442178.db2.gz QIEQATDIRZXOAG-CABCVRRESA-N 2 0 340.468 -0.498 20 0 EBADRP CC[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001367092321 1133472993 /nfs/dbraw/zinc/47/29/93/1133472993.db2.gz HNTFQOAXLBFXJP-QWHCGFSZSA-N 2 0 336.440 -0.565 20 0 EBADRP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)NC(=O)NC ZINC001367092372 1133473952 /nfs/dbraw/zinc/47/39/52/1133473952.db2.gz HQKBVRWTGBEVQG-GRYCIOLGSA-N 2 0 327.429 -0.733 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001367200165 1133499413 /nfs/dbraw/zinc/49/94/13/1133499413.db2.gz SOJPBUCJUQZTJX-JHJVBQTASA-N 2 0 341.456 -0.071 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001367293253 1133528668 /nfs/dbraw/zinc/52/86/68/1133528668.db2.gz PMXCDWDZBJDLGN-STQMWFEESA-N 2 0 328.457 -0.426 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001367381817 1133572533 /nfs/dbraw/zinc/57/25/33/1133572533.db2.gz MLPIWOPXOOFASC-NWDGAFQWSA-N 2 0 327.429 -0.780 20 0 EBADRP C[C@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001367397413 1133577796 /nfs/dbraw/zinc/57/77/96/1133577796.db2.gz PELODQTVGPICTN-OLZOCXBDSA-N 2 0 341.456 -0.262 20 0 EBADRP COc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[NH+]3CCC2CC3)on1 ZINC001367585431 1133654476 /nfs/dbraw/zinc/65/44/76/1133654476.db2.gz FYNPDSFZUOHYDJ-OCCSQVGLSA-N 2 0 338.408 -0.408 20 0 EBADRP COc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)on1 ZINC001367585436 1133654568 /nfs/dbraw/zinc/65/45/68/1133654568.db2.gz FYNPDSFZUOHYDJ-TZMCWYRMSA-N 2 0 338.408 -0.408 20 0 EBADRP CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)C2([NH+](C)C)CCC2)C1=O ZINC001367589965 1133661206 /nfs/dbraw/zinc/66/12/06/1133661206.db2.gz CBVPFHHZNCJIGS-QWHCGFSZSA-N 2 0 326.441 -0.842 20 0 EBADRP COc1nccc(C[NH2+]C[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001367627313 1133714997 /nfs/dbraw/zinc/71/49/97/1133714997.db2.gz VAHIJZLQTBPONG-CYBMUJFWSA-N 2 0 335.408 -0.852 20 0 EBADRP C[C@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001367679890 1133743026 /nfs/dbraw/zinc/74/30/26/1133743026.db2.gz CDWMIGGBOHUWFF-CQSZACIVSA-N 2 0 338.452 -0.432 20 0 EBADRP C[C@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001367681383 1133744502 /nfs/dbraw/zinc/74/45/02/1133744502.db2.gz QXIOFVVSWJDAJU-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001367688391 1133747174 /nfs/dbraw/zinc/74/71/74/1133747174.db2.gz FFJPBVFCGNWJCK-VXGBXAGGSA-N 2 0 327.429 -0.589 20 0 EBADRP C[C@H](C[NH2+]CC(=O)Nc1nncs1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367713954 1133756748 /nfs/dbraw/zinc/75/67/48/1133756748.db2.gz YJTSSUAZXFPZIH-NXEZZACHSA-N 2 0 326.426 -0.477 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001367735515 1133765243 /nfs/dbraw/zinc/76/52/43/1133765243.db2.gz IDJSNALDNJUPQP-CHWSQXEVSA-N 2 0 341.456 -0.199 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCOCC1 ZINC001367738573 1133765566 /nfs/dbraw/zinc/76/55/66/1133765566.db2.gz SMNFOOCZARDVCQ-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H](C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001367748944 1133770255 /nfs/dbraw/zinc/77/02/55/1133770255.db2.gz HKMLULOCOMEVBY-BFHYXJOUSA-N 2 0 346.497 -0.544 20 0 EBADRP C[C@H](C[N@H+](C)CCN1CCNC1=O)NC(=O)[C@H]1CCCC[NH+]1C ZINC001367812885 1133795624 /nfs/dbraw/zinc/79/56/24/1133795624.db2.gz CRRDVYBLLMSBCF-ZIAGYGMSSA-N 2 0 325.457 -0.068 20 0 EBADRP CC[C@@H]([NH2+]C1(CNC(=O)C(C)(C)C[NH+]2CCOCC2)CC1)C(N)=O ZINC001368014067 1133896552 /nfs/dbraw/zinc/89/65/52/1133896552.db2.gz OIFBRZPUKDOCED-CYBMUJFWSA-N 2 0 340.468 -0.153 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]C2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)CCO1 ZINC001368034628 1133906070 /nfs/dbraw/zinc/90/60/70/1133906070.db2.gz JCQJEZJBSBEYDU-ZIAGYGMSSA-N 2 0 338.452 -0.576 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C[C@@H]1C ZINC001368107041 1133940980 /nfs/dbraw/zinc/94/09/80/1133940980.db2.gz VKKMRSNOVTYDEE-NWDGAFQWSA-N 2 0 327.429 -0.508 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C[C@@H]1C ZINC001368107594 1133941388 /nfs/dbraw/zinc/94/13/88/1133941388.db2.gz ONGQRZMXJDXEGD-STQMWFEESA-N 2 0 341.456 -0.118 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H](C[NH2+]CC(=O)NC(N)=O)C1CCCC1 ZINC001368130499 1133952602 /nfs/dbraw/zinc/95/26/02/1133952602.db2.gz CCZBHZRAGGBIGN-GFCCVEGCSA-N 2 0 327.429 -0.602 20 0 EBADRP C[C@@H]([NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CCCC1)C(=O)NC(N)=O ZINC001368141728 1133955236 /nfs/dbraw/zinc/95/52/36/1133955236.db2.gz YQYOEZHWEUDNDM-DGCLKSJQSA-N 2 0 341.456 -0.214 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC001368259026 1134047899 /nfs/dbraw/zinc/04/78/99/1134047899.db2.gz IYPJVEWJQIFUNA-BBRMVZONSA-N 2 0 336.440 -0.730 20 0 EBADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001368267402 1134067202 /nfs/dbraw/zinc/06/72/02/1134067202.db2.gz VWMPQAQRNGXNBR-LRDDRELGSA-N 2 0 326.441 -0.855 20 0 EBADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001368267416 1134067323 /nfs/dbraw/zinc/06/73/23/1134067323.db2.gz VWMPQAQRNGXNBR-WBMJQRKESA-N 2 0 326.441 -0.855 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001368364972 1134168320 /nfs/dbraw/zinc/16/83/20/1134168320.db2.gz JIWKGZSIKSFVOP-HIFRSBDPSA-N 2 0 339.484 -0.615 20 0 EBADRP CN1CC[C@@H]([NH2+]CCN(CCO)C(=O)C23CCC[NH+]2CCC3)C1=O ZINC001368395192 1134198067 /nfs/dbraw/zinc/19/80/67/1134198067.db2.gz IQKVCPGVJMWKEV-CQSZACIVSA-N 2 0 338.452 -0.744 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]C1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001368489450 1134250244 /nfs/dbraw/zinc/25/02/44/1134250244.db2.gz PFGQCNKOCRNCIW-LBPRGKRZSA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001368508297 1134260871 /nfs/dbraw/zinc/26/08/71/1134260871.db2.gz AFVFOZHQOYGUNW-NWDGAFQWSA-N 2 0 327.429 -0.508 20 0 EBADRP COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001368512467 1134265148 /nfs/dbraw/zinc/26/51/48/1134265148.db2.gz WTWYTWKRXVHWCX-GJZGRUSLSA-N 2 0 329.441 -0.848 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001368527101 1134275111 /nfs/dbraw/zinc/27/51/11/1134275111.db2.gz LKQHEFRIVJXYJU-STQMWFEESA-N 2 0 341.456 -0.295 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001368550528 1134287702 /nfs/dbraw/zinc/28/77/02/1134287702.db2.gz QHRGQDYRUAVZKR-SRVKXCTJSA-N 2 0 325.413 -0.979 20 0 EBADRP CC[C@@H](C(=O)N(C)CCC[N@H+](C)[C@H](C)C(=O)NC(=O)NC)[NH+](C)C ZINC001368557799 1134290776 /nfs/dbraw/zinc/29/07/76/1134290776.db2.gz NTSMSMXZCYRTGO-OLZOCXBDSA-N 2 0 343.472 -0.049 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CC(N)=O)CCOCC1 ZINC001368625653 1134337157 /nfs/dbraw/zinc/33/71/57/1134337157.db2.gz CKCIVGHKKFZSEF-CYBMUJFWSA-N 2 0 326.441 -0.401 20 0 EBADRP Cn1nccc1C[NH2+][C@]1(CO)CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001368633398 1134345990 /nfs/dbraw/zinc/34/59/90/1134345990.db2.gz SBTSXUCYDMBQBG-GOSISDBHSA-N 2 0 347.463 -0.041 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2(C[NH2+][C@H]3CCCNC3=O)CCOCC2)C1 ZINC001368637487 1134349126 /nfs/dbraw/zinc/34/91/26/1134349126.db2.gz NBPCVIZKNYSSOS-KBPBESRZSA-N 2 0 338.452 -0.528 20 0 EBADRP CCC[N@H+](C)CCC(=O)NC1(C[NH2+][C@@H]2CCNC2=O)CCOCC1 ZINC001368638132 1134349332 /nfs/dbraw/zinc/34/93/32/1134349332.db2.gz SPVRORPAAPPZCO-CQSZACIVSA-N 2 0 340.468 -0.138 20 0 EBADRP COC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001368645668 1134352135 /nfs/dbraw/zinc/35/21/35/1134352135.db2.gz PHVLQJUEDYHVOS-XHSDSOJGSA-N 2 0 343.468 -0.457 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001368653603 1134357038 /nfs/dbraw/zinc/35/70/38/1134357038.db2.gz FGOLAUFRSCDDBB-STQMWFEESA-N 2 0 341.456 -0.391 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC(O)(C[NH2+][C@@H](C)C(=O)NC)CC1 ZINC001368679945 1134377731 /nfs/dbraw/zinc/37/77/31/1134377731.db2.gz AWYFMLJPYYJBGI-ZDUSSCGKSA-N 2 0 328.457 -0.594 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001368729125 1134409610 /nfs/dbraw/zinc/40/96/10/1134409610.db2.gz WEUFYXWADCJLQO-AVGNSLFASA-N 2 0 343.472 -0.099 20 0 EBADRP C[C@H]([NH2+][C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001368751513 1134417824 /nfs/dbraw/zinc/41/78/24/1134417824.db2.gz BCGGQUGNLCFDFY-STQMWFEESA-N 2 0 341.456 -0.118 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CC(=O)N2CCOCC2)C1 ZINC001368816174 1134453929 /nfs/dbraw/zinc/45/39/29/1134453929.db2.gz NLZWKJIQBRHPGG-YMAMQOFZSA-N 2 0 338.452 -0.576 20 0 EBADRP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001368848626 1134463751 /nfs/dbraw/zinc/46/37/51/1134463751.db2.gz MFAWDCUIVRJVNN-NWDGAFQWSA-N 2 0 339.440 -0.460 20 0 EBADRP COC[C@@H](O)C[NH+]1CC([C@@H](C)NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001369092977 1134560935 /nfs/dbraw/zinc/56/09/35/1134560935.db2.gz BHVHATNXJUWYQO-HIFRSBDPSA-N 2 0 343.468 -0.459 20 0 EBADRP CN1CC[C@@H]([N@H+]2C[C@@H]3[C@@H](CNC(=O)C[NH+](C)C4CCC4)[C@@H]3C2)C1=O ZINC001369131305 1134580620 /nfs/dbraw/zinc/58/06/20/1134580620.db2.gz KACCDTQZMIWSKU-LVQVYYBASA-N 2 0 334.464 -0.005 20 0 EBADRP CN(C(=O)CC[NH+](C)C)[C@H](C[NH2+]CC(=O)N1CCOCC1)C1CC1 ZINC001369213050 1134619001 /nfs/dbraw/zinc/61/90/01/1134619001.db2.gz LOCHRIYIFXUGIC-OAHLLOKOSA-N 2 0 340.468 -0.377 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001369237339 1134625955 /nfs/dbraw/zinc/62/59/55/1134625955.db2.gz JVCUYGPFTPHPEX-IJLUTSLNSA-N 2 0 327.429 -0.781 20 0 EBADRP C[C@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+]CCN1CCNC1=O ZINC001369250845 1134629405 /nfs/dbraw/zinc/62/94/05/1134629405.db2.gz OFJSRZHHIHXWBE-CYBMUJFWSA-N 2 0 325.457 -0.068 20 0 EBADRP C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)[NH2+]CC(=O)NC(N)=O ZINC001369273292 1134636645 /nfs/dbraw/zinc/63/66/45/1134636645.db2.gz VBSMOARPBRURLU-LLVKDONJSA-N 2 0 325.413 -0.754 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001369277812 1134638109 /nfs/dbraw/zinc/63/81/09/1134638109.db2.gz PCCANELFOWXVTM-NWDGAFQWSA-N 2 0 329.445 -0.391 20 0 EBADRP C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+]CC(=O)NC(N)=O ZINC001369291101 1134642915 /nfs/dbraw/zinc/64/29/15/1134642915.db2.gz DRHXXIFPVQQMFK-GFCCVEGCSA-N 2 0 327.429 -0.506 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC2CCCC2)CCC1 ZINC001369322684 1134663392 /nfs/dbraw/zinc/66/33/92/1134663392.db2.gz JAVACMWPTABYCC-AWEZNQCLSA-N 2 0 340.468 -0.404 20 0 EBADRP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001369350013 1134698720 /nfs/dbraw/zinc/69/87/20/1134698720.db2.gz ANEPNZWECVSQHS-GFCCVEGCSA-N 2 0 339.440 -0.493 20 0 EBADRP CC(C)CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001369355805 1134706079 /nfs/dbraw/zinc/70/60/79/1134706079.db2.gz TXMVDQPNHOKIGD-KKUMJFAQSA-N 2 0 342.484 -0.444 20 0 EBADRP CN1CCC[C@@H]([NH2+][C@H](CO)CNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001369360538 1134711911 /nfs/dbraw/zinc/71/19/11/1134711911.db2.gz HBXVEYFJZVQTJV-LSDHHAIUSA-N 2 0 340.468 -0.594 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccn(C)c(=O)c1)[NH+](C)C ZINC001369369605 1134725210 /nfs/dbraw/zinc/72/52/10/1134725210.db2.gz LHEHAKOXRGGCBU-GDBMZVCRSA-N 2 0 338.452 -0.462 20 0 EBADRP Cn1nccc1C[NH2+][C@H](CO)CNC(=O)COC1CC[NH+](C)CC1 ZINC001369373028 1134728883 /nfs/dbraw/zinc/72/88/83/1134728883.db2.gz MYWNZBIHKAHOCM-ZDUSSCGKSA-N 2 0 339.440 -0.902 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)[NH2+]CCN2CCCC2=O)C1 ZINC001369382346 1134743056 /nfs/dbraw/zinc/74/30/56/1134743056.db2.gz POGMZPCVYDAYLW-ZIAGYGMSSA-N 2 0 326.441 -0.983 20 0 EBADRP C[C@@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001369397763 1134758000 /nfs/dbraw/zinc/75/80/00/1134758000.db2.gz HMOQEDPETYUYLK-CHWSQXEVSA-N 2 0 339.440 -0.508 20 0 EBADRP C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+](C)C)C(=O)NC(C)(C)C ZINC001369478616 1134842145 /nfs/dbraw/zinc/84/21/45/1134842145.db2.gz ALLPFCMTBIMRFL-CHWSQXEVSA-N 2 0 330.473 -0.350 20 0 EBADRP Cc1nn(C)cc1C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001369482279 1134848821 /nfs/dbraw/zinc/84/88/21/1134848821.db2.gz SHKFOILSINZLFR-GDBMZVCRSA-N 2 0 337.468 -0.021 20 0 EBADRP CN(C[C@H](O)C[NH2+]Cc1cnns1)C(=O)C1(C[NH+](C)C)CC1 ZINC001369483621 1134851617 /nfs/dbraw/zinc/85/16/17/1134851617.db2.gz KWJGRALNFMLROG-LLVKDONJSA-N 2 0 327.454 -0.211 20 0 EBADRP Cc1nn(C)cc1C[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001369484407 1134853139 /nfs/dbraw/zinc/85/31/39/1134853139.db2.gz QBWJMMWXKGZGFY-CJNGLKHVSA-N 2 0 337.468 -0.021 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001369484668 1134854531 /nfs/dbraw/zinc/85/45/31/1134854531.db2.gz QPIHNBKDZBNKGE-KBPBESRZSA-N 2 0 342.484 -0.348 20 0 EBADRP CN(C[C@@H](O)C[N@H+](C)[C@@H]1CCN(C)C1=O)C(=O)CCC[NH+](C)C ZINC001369513966 1134908851 /nfs/dbraw/zinc/90/88/51/1134908851.db2.gz WATZJJYDQKOOAZ-UONOGXRCSA-N 2 0 328.457 -0.690 20 0 EBADRP CC[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001369515568 1134911552 /nfs/dbraw/zinc/91/15/52/1134911552.db2.gz JEQVZQRKHFCRJC-CABCVRRESA-N 2 0 342.484 -0.267 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)N1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001369844732 1135043769 /nfs/dbraw/zinc/04/37/69/1135043769.db2.gz QVTQQGQFSIAKOO-RYUDHWBXSA-N 2 0 327.429 -0.508 20 0 EBADRP CC(C)[C@@H](C(=O)N1CC(CCO)(NC(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001370007848 1135169149 /nfs/dbraw/zinc/16/91/49/1135169149.db2.gz MXIOETDFAZTOIO-HNNXBMFYSA-N 2 0 342.484 -0.396 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C2)CC1 ZINC001370014319 1135174525 /nfs/dbraw/zinc/17/45/25/1135174525.db2.gz HBMLVIFFKJSJCC-LSDHHAIUSA-N 2 0 335.452 -0.224 20 0 EBADRP C[C@H]([NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1)C(=O)NC(N)=O ZINC001370167625 1135233303 /nfs/dbraw/zinc/23/33/03/1135233303.db2.gz MHNOPWLODDUYNI-JQWIXIFHSA-N 2 0 339.440 -0.462 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001370389044 1135328617 /nfs/dbraw/zinc/32/86/17/1135328617.db2.gz KDLRKWUJQWUDJY-STQMWFEESA-N 2 0 339.440 -0.365 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001370401492 1135335331 /nfs/dbraw/zinc/33/53/31/1135335331.db2.gz CXJSDPKNJFABMU-OLZOCXBDSA-N 2 0 341.456 -0.247 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@H](CO)NC(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001370728257 1135556486 /nfs/dbraw/zinc/55/64/86/1135556486.db2.gz HSERAVWKMZYWSH-UONOGXRCSA-N 2 0 340.468 -0.594 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001370750175 1135589968 /nfs/dbraw/zinc/58/99/68/1135589968.db2.gz WZKBTCJKEVADDJ-ZIAGYGMSSA-N 2 0 328.457 -0.594 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H](CO)NC(=O)c1ccc2c[nH+]cn2c1 ZINC001370757860 1135599947 /nfs/dbraw/zinc/59/99/47/1135599947.db2.gz KGBSTGWOBWDTKX-CQSZACIVSA-N 2 0 347.419 -0.117 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001370937511 1135700869 /nfs/dbraw/zinc/70/08/69/1135700869.db2.gz YPZPMEUBYJAOHI-CHWSQXEVSA-N 2 0 339.440 -0.493 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](O)COC)C[C@H]21 ZINC001371008668 1135767958 /nfs/dbraw/zinc/76/79/58/1135767958.db2.gz BYBOENPHMORFDJ-AALSBFMBSA-N 2 0 325.453 -0.086 20 0 EBADRP CC(C)[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)C[NH+]1CCCC1)[NH+](C)C ZINC001371015972 1135778616 /nfs/dbraw/zinc/77/86/16/1135778616.db2.gz LNBLAUWSVHATLV-HOCLYGCPSA-N 2 0 342.484 -0.396 20 0 EBADRP CN(C[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1)C(=O)CC[NH+](C)C ZINC001371059732 1135829455 /nfs/dbraw/zinc/82/94/55/1135829455.db2.gz OKPYEDKSVCVFIJ-HNNXBMFYSA-N 2 0 342.484 -0.442 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2CCC([NH2+]CCS(C)(=O)=O)CC2)C1 ZINC001371070392 1135832214 /nfs/dbraw/zinc/83/22/14/1135832214.db2.gz HCRBCQDTDGAILZ-HSBZDZAISA-N 2 0 331.482 0.000 20 0 EBADRP C[C@@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)[NH2+]CCn1cncn1 ZINC001371241315 1135870508 /nfs/dbraw/zinc/87/05/08/1135870508.db2.gz GNJWDZKNWQZWKY-AWEZNQCLSA-N 2 0 338.456 -0.269 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001371240748 1135870606 /nfs/dbraw/zinc/87/06/06/1135870606.db2.gz QDWRSIHKWNCEHE-NEPJUHHUSA-N 2 0 327.429 -0.589 20 0 EBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001371434010 1135909626 /nfs/dbraw/zinc/90/96/26/1135909626.db2.gz XFJRBBPVBCVVRO-UONOGXRCSA-N 2 0 338.452 -0.528 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)s1 ZINC001371472727 1135930300 /nfs/dbraw/zinc/93/03/00/1135930300.db2.gz MUVSTOXLFRWXDT-GXSJLCMTSA-N 2 0 340.453 -0.169 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001371533475 1135957772 /nfs/dbraw/zinc/95/77/72/1135957772.db2.gz YPQLJIUDJMRNTL-LSDHHAIUSA-N 2 0 343.468 -0.315 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC[C@@H]2C)C[C@@H]1O ZINC001371536841 1135960075 /nfs/dbraw/zinc/96/00/75/1135960075.db2.gz KHODIOCDLHZARL-ZNMIVQPWSA-N 2 0 340.468 -0.500 20 0 EBADRP CC1CC[NH+](CC(=O)N2CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001371616657 1135985838 /nfs/dbraw/zinc/98/58/38/1135985838.db2.gz NKPNOGRYTDBTIM-ZDUSSCGKSA-N 2 0 339.440 -0.649 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001371618717 1135986106 /nfs/dbraw/zinc/98/61/06/1135986106.db2.gz OGSKHEOOJUWREI-RYUDHWBXSA-N 2 0 327.429 -0.650 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1O ZINC001371850971 1136037137 /nfs/dbraw/zinc/03/71/37/1136037137.db2.gz SVRBABNJHNFDBU-HUUCEWRRSA-N 2 0 340.468 -0.642 20 0 EBADRP C[C@H](C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(N)=O)[NH+]1CCCCCC1 ZINC001372945424 1136334127 /nfs/dbraw/zinc/33/41/27/1136334127.db2.gz CHMQVNPRQWPSFI-QWHCGFSZSA-N 2 0 341.456 -0.118 20 0 EBADRP C[C@@H]([NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1)C(=O)NC(N)=O ZINC001372947735 1136334692 /nfs/dbraw/zinc/33/46/92/1136334692.db2.gz IFFRATIYVLZFJT-LLVKDONJSA-N 2 0 327.429 -0.508 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001373735932 1136550825 /nfs/dbraw/zinc/55/08/25/1136550825.db2.gz CDKCNVJEZUUHKN-OLZOCXBDSA-N 2 0 341.456 -0.199 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001373735935 1136550925 /nfs/dbraw/zinc/55/09/25/1136550925.db2.gz CDKCNVJEZUUHKN-QWHCGFSZSA-N 2 0 341.456 -0.199 20 0 EBADRP CC[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC(=O)NC(N)=O ZINC001373753581 1136553068 /nfs/dbraw/zinc/55/30/68/1136553068.db2.gz OTTFNYAJEDTINF-VXGBXAGGSA-N 2 0 325.413 -0.993 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001373934480 1136589842 /nfs/dbraw/zinc/58/98/42/1136589842.db2.gz DJJNUPKCYWYANH-CYBMUJFWSA-N 2 0 339.440 -0.506 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(CCNC(=O)CC[NH+](C)C)CC1 ZINC001373945797 1136591284 /nfs/dbraw/zinc/59/12/84/1136591284.db2.gz HLLVDODKIDSTMQ-LBPRGKRZSA-N 2 0 341.456 -0.260 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001373966381 1136595051 /nfs/dbraw/zinc/59/50/51/1136595051.db2.gz LOYRNJBKRLSKFH-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001374026533 1136608807 /nfs/dbraw/zinc/60/88/07/1136608807.db2.gz NBRFUHCONIQNGN-AAEUAGOBSA-N 2 0 329.445 -0.630 20 0 EBADRP C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)C[NH2+][C@@H]1CCNC1=O ZINC001374084981 1136619936 /nfs/dbraw/zinc/61/99/36/1136619936.db2.gz NCVOOOJRBBMTMB-GXTWGEPZSA-N 2 0 336.440 -0.711 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CCN1CCNC1=O ZINC001374388111 1136681538 /nfs/dbraw/zinc/68/15/38/1136681538.db2.gz SXNOCKKNLCHUMN-KGLIPLIRSA-N 2 0 325.457 -0.210 20 0 EBADRP C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001374397325 1136683148 /nfs/dbraw/zinc/68/31/48/1136683148.db2.gz REJQMBPWHROABT-STQMWFEESA-N 2 0 338.456 -0.223 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CC(N)=O)n1 ZINC001374568866 1136722377 /nfs/dbraw/zinc/72/23/77/1136722377.db2.gz HKMLCXGISAJULQ-STQMWFEESA-N 2 0 336.440 -0.582 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@H](O)C[NH2+]CC(=O)Nc2ccon2)CCC1 ZINC001374618744 1136752964 /nfs/dbraw/zinc/75/29/64/1136752964.db2.gz WWPGMFPAAZJIHI-LLVKDONJSA-N 2 0 339.396 -0.836 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001374632704 1136763006 /nfs/dbraw/zinc/76/30/06/1136763006.db2.gz KKMXEDNVLFITMR-AWEZNQCLSA-N 2 0 342.484 -0.347 20 0 EBADRP COc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)on1 ZINC001374635025 1136765069 /nfs/dbraw/zinc/76/50/69/1136765069.db2.gz GPBOCUUFUVIKMT-RWMBFGLXSA-N 2 0 340.424 -0.020 20 0 EBADRP CC1CCN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)CC1 ZINC001374640895 1136769194 /nfs/dbraw/zinc/76/91/94/1136769194.db2.gz HXDCYPKYHQRXMV-CQSZACIVSA-N 2 0 328.457 -0.737 20 0 EBADRP COc1ccc(C[NH2+]C[C@H](O)CNC(=O)C[N@@H+]2CC[C@H](C)C2)nn1 ZINC001374656990 1136780154 /nfs/dbraw/zinc/78/01/54/1136780154.db2.gz QBEDRXAMPJWCKA-JSGCOSHPSA-N 2 0 337.424 -0.606 20 0 EBADRP Cn1ccnc1C[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001374660008 1136782716 /nfs/dbraw/zinc/78/27/16/1136782716.db2.gz VWGMHDVXRHJPEW-ZDUSSCGKSA-N 2 0 325.457 -0.035 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374667146 1136787511 /nfs/dbraw/zinc/78/75/11/1136787511.db2.gz BAUFOPGNCJJZQT-UONOGXRCSA-N 2 0 328.457 -0.738 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374667147 1136787785 /nfs/dbraw/zinc/78/77/85/1136787785.db2.gz BAUFOPGNCJJZQT-ZIAGYGMSSA-N 2 0 328.457 -0.738 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001374755017 1136823415 /nfs/dbraw/zinc/82/34/15/1136823415.db2.gz FUPPYQROWRTUAV-NQBHXWOUSA-N 2 0 339.440 -0.591 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001374906388 1136870692 /nfs/dbraw/zinc/87/06/92/1136870692.db2.gz ZCVOTCDNBWQDRV-AWEZNQCLSA-N 2 0 342.484 -0.083 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001374963232 1136885416 /nfs/dbraw/zinc/88/54/16/1136885416.db2.gz TVIBUBGUWOKXKA-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@H](C[N@H+](C)CCN1CCNC1=O)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001375053656 1136902185 /nfs/dbraw/zinc/90/21/85/1136902185.db2.gz JWVVCWNOKAWJFK-HIFRSBDPSA-N 2 0 337.468 -0.210 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@H]1[NH+](C)C ZINC000331432005 290672195 /nfs/dbraw/zinc/67/21/95/290672195.db2.gz UHFLOICFQOBBGB-SPWCGHHHSA-N 2 0 348.451 -0.918 20 0 EBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000643594606 375921405 /nfs/dbraw/zinc/92/14/05/375921405.db2.gz XNUJZIKCVRBOKS-GJZGRUSLSA-N 2 0 337.468 -0.955 20 0 EBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000643594608 375922328 /nfs/dbraw/zinc/92/23/28/375922328.db2.gz XNUJZIKCVRBOKS-LSDHHAIUSA-N 2 0 337.468 -0.955 20 0 EBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000565481098 376086131 /nfs/dbraw/zinc/08/61/31/376086131.db2.gz NCZGRANJQBTTBK-MGPQQGTHSA-N 2 0 340.468 -0.060 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CCO1 ZINC000642768953 376088661 /nfs/dbraw/zinc/08/86/61/376088661.db2.gz UTKHUQMQSSVUBE-SLEUVZQESA-N 2 0 344.481 -0.886 20 0 EBADRP CC(C)[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC[NH2+]1 ZINC000642750486 376068858 /nfs/dbraw/zinc/06/88/58/376068858.db2.gz FHXOXFRHISLEEO-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC[C@H]1[NH3+] ZINC000642758124 376082231 /nfs/dbraw/zinc/08/22/31/376082231.db2.gz JVMKBSAJLURMPV-RBSFLKMASA-N 2 0 340.468 -0.201 20 0 EBADRP CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC[C@@H]1[NH3+] ZINC000642758122 376082389 /nfs/dbraw/zinc/08/23/89/376082389.db2.gz JVMKBSAJLURMPV-KFWWJZLASA-N 2 0 340.468 -0.201 20 0 EBADRP CN(C[C@@H]1CCCOC1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000556795344 376140973 /nfs/dbraw/zinc/14/09/73/376140973.db2.gz FMHKUADJAMTOPW-HNNXBMFYSA-N 2 0 342.484 -0.177 20 0 EBADRP CCC[NH+]1CCC(CNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000557246514 376168079 /nfs/dbraw/zinc/16/80/79/376168079.db2.gz WXGUYBHXJMGFSH-OAHLLOKOSA-N 2 0 339.484 -0.674 20 0 EBADRP C[C@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)C[NH+]1CCN(C)CC1 ZINC000564924767 376401436 /nfs/dbraw/zinc/40/14/36/376401436.db2.gz YFHVTOHFZBHIBM-CABCVRRESA-N 2 0 349.483 -0.357 20 0 EBADRP O=C(CN1C(=O)CCC1=O)N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000569560560 376456935 /nfs/dbraw/zinc/45/69/35/376456935.db2.gz RFYRWODKXPOQBR-AWEZNQCLSA-N 2 0 336.436 -0.331 20 0 EBADRP CN(C(=O)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C1CCCCC1 ZINC000574151829 376665669 /nfs/dbraw/zinc/66/56/69/376665669.db2.gz TUMRYYMIGWMXOD-MRXNPFEDSA-N 2 0 326.485 -0.025 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000642901694 376677421 /nfs/dbraw/zinc/67/74/21/376677421.db2.gz AYUOTRFNRGHNKR-ZNMIVQPWSA-N 2 0 340.468 -0.140 20 0 EBADRP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000642903972 376683058 /nfs/dbraw/zinc/68/30/58/376683058.db2.gz PRGPTTJYXRBCLP-CQSZACIVSA-N 2 0 331.420 -0.012 20 0 EBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000642909937 376705192 /nfs/dbraw/zinc/70/51/92/376705192.db2.gz XQURBRWOYIIIRQ-KFWWJZLASA-N 2 0 339.484 -0.533 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000077825637 376743029 /nfs/dbraw/zinc/74/30/29/376743029.db2.gz ZMTYTZXTNNRQSV-AWEZNQCLSA-N 2 0 328.457 -0.147 20 0 EBADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000561203797 376815246 /nfs/dbraw/zinc/81/52/46/376815246.db2.gz OXMAGYSQMPQVRY-HOTGVXAUSA-N 2 0 339.484 -0.214 20 0 EBADRP CN1CCN(c2ncc(C[NH2+]CCCNS(C)(=O)=O)cn2)CC1 ZINC000133736809 376964645 /nfs/dbraw/zinc/96/46/45/376964645.db2.gz NUSDRHZPQZSNIY-UHFFFAOYSA-N 2 0 342.469 -0.743 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@](C)(O)C1 ZINC000562692460 376983505 /nfs/dbraw/zinc/98/35/05/376983505.db2.gz ODGSSHYABOLCKW-MRXNPFEDSA-N 2 0 328.457 -0.688 20 0 EBADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)[C@@]12CCCO2 ZINC000570203238 377218376 /nfs/dbraw/zinc/21/83/76/377218376.db2.gz YWUDEDSFSXTIAJ-TWMKSMIVSA-N 2 0 327.469 -0.089 20 0 EBADRP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000570399875 377241664 /nfs/dbraw/zinc/24/16/64/377241664.db2.gz ODGRBHYQPCSOBH-CQSZACIVSA-N 2 0 336.440 -0.835 20 0 EBADRP CC1(C)CCC[N@H+](CCNC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000570500725 377249346 /nfs/dbraw/zinc/24/93/46/377249346.db2.gz INWIXBASJHODJZ-UHFFFAOYSA-N 2 0 325.457 -0.161 20 0 EBADRP C[C@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)C[NH+]1CCN(C)CC1 ZINC000574919600 377302179 /nfs/dbraw/zinc/30/21/79/377302179.db2.gz GJAKJMJENKRVNS-MRXNPFEDSA-N 2 0 348.495 -0.039 20 0 EBADRP CC[NH+](CC)CCN(C(=O)C[C@H](C[NH3+])OC)[C@@H]1CCS(=O)(=O)C1 ZINC000570928495 377303796 /nfs/dbraw/zinc/30/37/96/377303796.db2.gz JVARHBTWRMTOKW-ZIAGYGMSSA-N 2 0 349.497 -0.292 20 0 EBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(C)(C)N3CC[NH2+]CC3)C2)CC1 ZINC000580070742 377351263 /nfs/dbraw/zinc/35/12/63/377351263.db2.gz WSWQLZIUFCBHEO-INIZCTEOSA-N 2 0 337.512 -0.091 20 0 EBADRP COC(=O)CCCN1CCC([NH2+]CC(=O)N2CCN(C)CC2)CC1 ZINC000589731118 377420646 /nfs/dbraw/zinc/42/06/46/377420646.db2.gz VSQUOIRAAMZXNI-UHFFFAOYSA-N 3 0 340.468 -0.232 20 0 EBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000187981870 377399515 /nfs/dbraw/zinc/39/95/15/377399515.db2.gz IUYCCLULZITSHX-LSDHHAIUSA-N 2 0 333.436 -0.174 20 0 EBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000601351178 377535717 /nfs/dbraw/zinc/53/57/17/377535717.db2.gz UWHPWSGTYNWFLV-HOTGVXAUSA-N 2 0 341.500 -0.376 20 0 EBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NCc1ccnc(N2CCOCC2)c1 ZINC000636539228 377571032 /nfs/dbraw/zinc/57/10/32/377571032.db2.gz LQELMIKCRKGWSD-OAHLLOKOSA-N 2 0 349.435 -0.216 20 0 EBADRP C[NH+]1CCC[C@H](NC(=O)COCC(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000591871150 377758475 /nfs/dbraw/zinc/75/84/75/377758475.db2.gz SIUDSQIFAKDWPQ-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+](C)CCCOC1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000563077234 377974554 /nfs/dbraw/zinc/97/45/54/377974554.db2.gz DJLJYAZMRTZWQA-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)NCc3ccc4c(c3)C[NH2+]C4)CCN2C1=O ZINC000595265891 377985371 /nfs/dbraw/zinc/98/53/71/377985371.db2.gz WIOVLEAOKZUMDP-GJZGRUSLSA-N 2 0 329.404 -0.257 20 0 EBADRP C[NH2+]Cc1ccccc1CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595271230 377988009 /nfs/dbraw/zinc/98/80/09/377988009.db2.gz JLJQTHGBTOMTOD-GJZGRUSLSA-N 2 0 331.420 -0.141 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CCSC1 ZINC000595269205 377988316 /nfs/dbraw/zinc/98/83/16/377988316.db2.gz QLYKGJBNTZVCHG-HUBLWGQQSA-N 2 0 341.481 -0.623 20 0 EBADRP COC(=O)CCN1CC[C@H]([NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1=O ZINC000595895419 378033382 /nfs/dbraw/zinc/03/33/82/378033382.db2.gz LYQQEPNVMDKDOO-YCPHGPKFSA-N 2 0 339.436 -0.021 20 0 EBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000595976837 378043214 /nfs/dbraw/zinc/04/32/14/378043214.db2.gz BBSWCXZJEYTDFD-HUUCEWRRSA-N 2 0 340.468 -0.106 20 0 EBADRP COC(=O)c1cn(CC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)nn1 ZINC000602652205 378365797 /nfs/dbraw/zinc/36/57/97/378365797.db2.gz LDNAUJZPDYAQKF-UHFFFAOYSA-N 2 0 325.413 -0.110 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000636844629 378414076 /nfs/dbraw/zinc/41/40/76/378414076.db2.gz DEJWQRVGFQKXMA-HOTGVXAUSA-N 2 0 341.500 -0.374 20 0 EBADRP COC(=O)CCNC(=O)CC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000602727022 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CPDUQIVWFRDIRG-GJZGRUSLSA-N 2 0 340.468 -0.201 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000337792434 378696137 /nfs/dbraw/zinc/69/61/37/378696137.db2.gz CPDUQIVWFRDIRG-CABCVRRESA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@H]1CCOC1 ZINC000570956723 378717745 /nfs/dbraw/zinc/71/77/45/378717745.db2.gz BLNMYWPLWBWHDB-AWEZNQCLSA-N 2 0 328.457 -0.519 20 0 EBADRP COCCO[C@@H]1C[C@@H](CO)C[N@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000338342182 378761880 /nfs/dbraw/zinc/76/18/80/378761880.db2.gz HLIBCPZHKOJCBQ-HZPDHXFCSA-N 2 0 343.468 -0.504 20 0 EBADRP CC[C@H](O)CN1CCN(C(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)CC1 ZINC000339274788 378876128 /nfs/dbraw/zinc/87/61/28/378876128.db2.gz LLQVNILIKHGVHH-GJZGRUSLSA-N 2 0 337.424 -0.628 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)CN1CCOCC1 ZINC000339632913 378962140 /nfs/dbraw/zinc/96/21/40/378962140.db2.gz XPVPURACSOPZMF-CYBMUJFWSA-N 2 0 326.441 -0.719 20 0 EBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CC1=O ZINC000452793209 379098336 /nfs/dbraw/zinc/09/83/36/379098336.db2.gz HHPDTRNWFOZVRJ-GJZGRUSLSA-N 2 0 340.468 -0.641 20 0 EBADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000627472443 379116207 /nfs/dbraw/zinc/11/62/07/379116207.db2.gz QJKLLMXLZVWOOK-HNNXBMFYSA-N 2 0 338.452 -0.575 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000629796062 379137225 /nfs/dbraw/zinc/13/72/25/379137225.db2.gz OJKRGJXKMKLLMK-OAHLLOKOSA-N 2 0 339.484 -0.580 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000629795060 379140347 /nfs/dbraw/zinc/14/03/47/379140347.db2.gz GGVVKZNWEPWJDY-UHFFFAOYSA-N 2 0 335.408 -0.454 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C[NH2+]1 ZINC000627296831 379142824 /nfs/dbraw/zinc/14/28/24/379142824.db2.gz URXXAOGDAUXWMB-ILXRZTDVSA-N 2 0 340.468 -0.140 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000629801589 379144660 /nfs/dbraw/zinc/14/46/60/379144660.db2.gz BBEWVUKBQMKDEM-KGLIPLIRSA-N 2 0 326.441 -0.767 20 0 EBADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)[C@@H]1c1ccccc1 ZINC000627297636 379147069 /nfs/dbraw/zinc/14/70/69/379147069.db2.gz PBRHQYVMDUABNP-PMPSAXMXSA-N 2 0 346.431 -0.347 20 0 EBADRP O=C(NCCCN1CCOCC1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000457388729 379185495 /nfs/dbraw/zinc/18/54/95/379185495.db2.gz AEXWNKUWZJEREX-HNNXBMFYSA-N 2 0 328.457 -0.145 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000627308298 379294122 /nfs/dbraw/zinc/29/41/22/379294122.db2.gz MBHAEMJNPLNERC-CQSZACIVSA-N 2 0 328.457 -0.471 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000459903189 379291260 /nfs/dbraw/zinc/29/12/60/379291260.db2.gz XCOVBFDHTPJNBN-UHFFFAOYSA-N 2 0 349.435 -0.241 20 0 EBADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627323937 379330589 /nfs/dbraw/zinc/33/05/89/379330589.db2.gz KZHXLUUGNYKXNT-AWEZNQCLSA-N 2 0 326.441 -0.672 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])[NH+]1CCC(C)CC1 ZINC000627332073 379341714 /nfs/dbraw/zinc/34/17/14/379341714.db2.gz PXORDAWTCGXERY-AWEZNQCLSA-N 2 0 328.457 -0.343 20 0 EBADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000627338930 379378907 /nfs/dbraw/zinc/37/89/07/379378907.db2.gz UPITUQRNXNXPAR-CQSZACIVSA-N 2 0 334.420 -0.279 20 0 EBADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000627427347 379592766 /nfs/dbraw/zinc/59/27/66/379592766.db2.gz CILNBQIGGTYTCS-KBPBESRZSA-N 2 0 338.452 -0.386 20 0 EBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[NH2+]1 ZINC000627428852 379595834 /nfs/dbraw/zinc/59/58/34/379595834.db2.gz QASZWLXDENGZFO-YUELXQCFSA-N 2 0 338.452 -0.387 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000627363669 379565598 /nfs/dbraw/zinc/56/55/98/379565598.db2.gz TYJDVSQWNVDICB-UONOGXRCSA-N 2 0 326.441 -0.528 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000627364068 379565753 /nfs/dbraw/zinc/56/57/53/379565753.db2.gz GJBABTGZCLGJKP-LSDHHAIUSA-N 2 0 339.484 -0.613 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)CCO1 ZINC000642084342 379566142 /nfs/dbraw/zinc/56/61/42/379566142.db2.gz CTYOEAKTNIHCEI-UONOGXRCSA-N 2 0 340.468 -0.058 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C[NH2+]1 ZINC000627363270 379566587 /nfs/dbraw/zinc/56/65/87/379566587.db2.gz KBLGUQQPOMLLQL-KGLIPLIRSA-N 2 0 326.441 -0.528 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000627367262 379567916 /nfs/dbraw/zinc/56/79/16/379567916.db2.gz OKHNSUBJIFDPBR-HUUCEWRRSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C[NH2+]1 ZINC000627370985 379570962 /nfs/dbraw/zinc/57/09/62/379570962.db2.gz SDARUFWXPZDJKI-TYNCELHUSA-N 2 0 328.482 -0.203 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000627384613 379577312 /nfs/dbraw/zinc/57/73/12/379577312.db2.gz KJGXNIDFMGRSMC-AWEZNQCLSA-N 2 0 328.457 -0.473 20 0 EBADRP [NH3+]C1(CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CCOCC1 ZINC000627453416 379605640 /nfs/dbraw/zinc/60/56/40/379605640.db2.gz MYPZPAHYZBZABT-AWEZNQCLSA-N 2 0 338.452 -0.303 20 0 EBADRP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)C[NH+]1CCCCC1 ZINC000627455774 379606315 /nfs/dbraw/zinc/60/63/15/379606315.db2.gz LWFSPQFIMHPYGS-CQSZACIVSA-N 2 0 340.468 -0.151 20 0 EBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCOCC[NH2+]C ZINC000627461885 379610240 /nfs/dbraw/zinc/61/02/40/379610240.db2.gz BORQHBJWXCCYRN-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627473190 379621928 /nfs/dbraw/zinc/62/19/28/379621928.db2.gz IRSCGMORPMWNQL-KGLIPLIRSA-N 2 0 326.441 -0.815 20 0 EBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000631954569 379791260 /nfs/dbraw/zinc/79/12/60/379791260.db2.gz QKNUDDUOFBCNCN-SOUVJXGZSA-N 2 0 325.434 -0.350 20 0 EBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCc1cccc2c1CC[NH2+]C2 ZINC000631963035 379793126 /nfs/dbraw/zinc/79/31/26/379793126.db2.gz SRPYMJSNAFLJCE-AWEZNQCLSA-N 2 0 325.434 -0.260 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627090203 379802058 /nfs/dbraw/zinc/80/20/58/379802058.db2.gz PVPQPHIIZIQBAZ-CYBMUJFWSA-N 2 0 326.445 -0.663 20 0 EBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000627093309 379803101 /nfs/dbraw/zinc/80/31/01/379803101.db2.gz JNBZZZBHWCWERV-GPANFISMSA-N 2 0 339.484 -0.431 20 0 EBADRP C[C@H](CCCC[NH3+])NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627093159 379803167 /nfs/dbraw/zinc/80/31/67/379803167.db2.gz JCXMKVKBRDETEB-CQSZACIVSA-N 2 0 340.472 -0.144 20 0 EBADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@H]1COCC[NH2+]1 ZINC000627091252 379803569 /nfs/dbraw/zinc/80/35/69/379803569.db2.gz LQYIFDMJNZPWLI-QWRGUYRKSA-N 2 0 339.362 -0.890 20 0 EBADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627118373 379806892 /nfs/dbraw/zinc/80/68/92/379806892.db2.gz ZAEDIFQWBGNBRY-CQSZACIVSA-N 2 0 340.472 -0.288 20 0 EBADRP C[NH2+]C[C@@H]1CCCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000631900749 379769213 /nfs/dbraw/zinc/76/92/13/379769213.db2.gz HUZMCSTUQOVEKR-HNNXBMFYSA-N 2 0 332.514 -0.115 20 0 EBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC3(C[NH3+])CCOCC3)C2)CC1 ZINC000626979176 379769592 /nfs/dbraw/zinc/76/95/92/379769592.db2.gz SIXGYSXBHLSUEB-CQSZACIVSA-N 2 0 339.484 -0.038 20 0 EBADRP O=S(=O)(CCC[NH+]1CCCC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000631936557 379785695 /nfs/dbraw/zinc/78/56/95/379785695.db2.gz FJNUHMLJLCHYNO-HNNXBMFYSA-N 2 0 330.498 -0.218 20 0 EBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631936502 379785987 /nfs/dbraw/zinc/78/59/87/379785987.db2.gz DFWBWYXAGNZKJF-KBPBESRZSA-N 2 0 336.477 -0.415 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000631935416 379786194 /nfs/dbraw/zinc/78/61/94/379786194.db2.gz VOFHRJMGUODMMU-HNNXBMFYSA-N 2 0 332.514 -0.067 20 0 EBADRP [NH3+][C@@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C[C@H]1c1ccccc1F ZINC000631944817 379787371 /nfs/dbraw/zinc/78/73/71/379787371.db2.gz IIMIKIOSINEDHV-OSAQELSMSA-N 2 0 343.424 -0.130 20 0 EBADRP C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)CCCN3CC[NH+](C)CC3)[C@@H]2C1 ZINC000632483861 379866727 /nfs/dbraw/zinc/86/67/27/379866727.db2.gz NTEDMGRMMLYADE-JKSUJKDBSA-N 2 0 344.525 -0.020 20 0 EBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC000642329774 379811811 /nfs/dbraw/zinc/81/18/11/379811811.db2.gz OKYDEQKRJVOIDA-BARDWOONSA-N 2 0 340.468 -0.202 20 0 EBADRP C[NH2+]CCOCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000627174059 379820767 /nfs/dbraw/zinc/82/07/67/379820767.db2.gz IEDXXHYBJHZSJI-AWEZNQCLSA-N 2 0 341.456 -0.830 20 0 EBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000633118688 379946009 /nfs/dbraw/zinc/94/60/09/379946009.db2.gz ROEVEYGFKJAVJL-ZDUSSCGKSA-N 2 0 326.441 -0.495 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000633139012 379947746 /nfs/dbraw/zinc/94/77/46/379947746.db2.gz GBAKPQAWEPHYSZ-QLFBSQMISA-N 2 0 337.468 -0.827 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000633150000 379949443 /nfs/dbraw/zinc/94/94/43/379949443.db2.gz YPBNKTACIHIZJH-UPJWGTAASA-N 2 0 326.441 -0.762 20 0 EBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000633143414 379949527 /nfs/dbraw/zinc/94/95/27/379949527.db2.gz LVRKMTRPCKDRHL-ZIAGYGMSSA-N 2 0 340.468 -0.106 20 0 EBADRP C[NH+](C)C[C@@H](CO)NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000614850385 379995307 /nfs/dbraw/zinc/99/53/07/379995307.db2.gz XHFPXJRWIJLKCA-HNNXBMFYSA-N 2 0 335.452 -0.368 20 0 EBADRP CC[NH2+][C@H](C)C(=O)N[C@H](C(=O)NCCN1CCOCC1)[C@H](C)CC ZINC000638074675 380089788 /nfs/dbraw/zinc/08/97/88/380089788.db2.gz ONBOCVIYCUPKBO-KFWWJZLASA-N 2 0 342.484 -0.036 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000354667413 380075989 /nfs/dbraw/zinc/07/59/89/380075989.db2.gz WTEFQDQBKIWSBM-ZDUSSCGKSA-N 2 0 326.441 -0.576 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000354668102 380076997 /nfs/dbraw/zinc/07/69/97/380076997.db2.gz XJDJMPJWAQSGBJ-UHFFFAOYSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000354691429 380082642 /nfs/dbraw/zinc/08/26/42/380082642.db2.gz MORHUQCREXYTTD-LSDHHAIUSA-N 2 0 340.468 -0.282 20 0 EBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000545279950 380088807 /nfs/dbraw/zinc/08/88/07/380088807.db2.gz BQSGBBUDKPBOCJ-AWEZNQCLSA-N 2 0 326.441 -0.813 20 0 EBADRP C[C@H](CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)C[NH+]1CCN(C)CC1 ZINC000546591412 380115144 /nfs/dbraw/zinc/11/51/44/380115144.db2.gz BXNGNSOXJZBMRN-ZBFHGGJFSA-N 2 0 327.473 -0.764 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cnc2n1CCC2 ZINC000548119515 380185295 /nfs/dbraw/zinc/18/52/95/380185295.db2.gz RZMZFXRMHHXYIA-UHFFFAOYSA-N 2 0 329.470 -0.057 20 0 EBADRP C[NH+]1CCN(c2ncccc2CNC(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638137808 380199695 /nfs/dbraw/zinc/19/96/95/380199695.db2.gz OINAKEDPMNXTGJ-KRWDZBQOSA-N 2 0 333.436 -0.172 20 0 EBADRP COC1CC[NH+](C(C)(C)CNC(=O)[C@@H](C)N2CCNCC2=O)CC1 ZINC000638109944 380155341 /nfs/dbraw/zinc/15/53/41/380155341.db2.gz XWOQYDYRNFUYSO-CYBMUJFWSA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+](CCOCC[N@@H+](C)[C@]1(CO)CCOC1)[C@]1(CO)CCOC1 ZINC000359570483 380251784 /nfs/dbraw/zinc/25/17/84/380251784.db2.gz IJRPQHUREDUBGT-HOTGVXAUSA-N 2 0 332.441 -0.831 20 0 EBADRP C[C@]1(CO)C[C@H](O)C[NH+]1CC1(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)CCC1 ZINC000639847567 380223389 /nfs/dbraw/zinc/22/33/89/380223389.db2.gz CGHGMQVHGJYUIF-MWDXBVQZSA-N 2 0 342.480 -0.208 20 0 EBADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000638241836 380307372 /nfs/dbraw/zinc/30/73/72/380307372.db2.gz TYTPVCQYDMGOAS-MSOLQXFVSA-N 2 0 345.491 -0.048 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)C(C)(C)O ZINC000564821917 380381485 /nfs/dbraw/zinc/38/14/85/380381485.db2.gz MBTYABZVZQNMAK-UHFFFAOYSA-N 2 0 344.500 -0.149 20 0 EBADRP C[NH+]1CCN(C[C@@H](Nc2nc(N)[nH+]c(N)n2)c2ccccc2)CC1 ZINC000623934217 380362553 /nfs/dbraw/zinc/36/25/53/380362553.db2.gz GUFFOXVESDQAGR-CYBMUJFWSA-N 2 0 328.424 -0.481 20 0 EBADRP CC(=O)NCCN(C)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000565597676 380426277 /nfs/dbraw/zinc/42/62/77/380426277.db2.gz TTXSTOIOSGUREL-OAHLLOKOSA-N 2 0 328.457 -0.473 20 0 EBADRP CCOc1cccc(CNC(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000565844326 380435769 /nfs/dbraw/zinc/43/57/69/380435769.db2.gz ZFOFUAIYYYBFOS-GDBMZVCRSA-N 2 0 346.431 -0.055 20 0 EBADRP COC(=O)C[C@H]([NH3+])C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000566007416 380441593 /nfs/dbraw/zinc/44/15/93/380441593.db2.gz YXFHAWRIZRYSCX-ZDUSSCGKSA-N 2 0 335.408 -0.660 20 0 EBADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](CC2CCOCC2)CC1 ZINC000567211885 380505435 /nfs/dbraw/zinc/50/54/35/380505435.db2.gz RRBBQRWSOGOECN-KRWDZBQOSA-N 2 0 329.485 -0.030 20 0 EBADRP CCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000567222959 380507554 /nfs/dbraw/zinc/50/75/54/380507554.db2.gz GYJVIGGQRHAUSR-OAHLLOKOSA-N 2 0 339.484 -0.532 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000340484511 380514012 /nfs/dbraw/zinc/51/40/12/380514012.db2.gz OGZQZRBBCQAUPE-ILXRZTDVSA-N 2 0 338.452 -0.434 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000340489679 380515705 /nfs/dbraw/zinc/51/57/05/380515705.db2.gz ZELLWTFVLFXTTK-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000567385439 380515737 /nfs/dbraw/zinc/51/57/37/380515737.db2.gz COHDATOKPCZBJA-QWHCGFSZSA-N 2 0 328.457 -0.202 20 0 EBADRP CC1(C)CCC[NH2+][C@H]1C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638484519 380484137 /nfs/dbraw/zinc/48/41/37/380484137.db2.gz YOAVCNYHBAHPMS-AWEZNQCLSA-N 2 0 337.468 -0.066 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H](C)C1=CC[NH+](C)CC1 ZINC000340574264 380551451 /nfs/dbraw/zinc/55/14/51/380551451.db2.gz FRBRDSWYBLJXCT-AWEZNQCLSA-N 2 0 340.468 -0.163 20 0 EBADRP CN1CCN(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1 ZINC000608013820 380590591 /nfs/dbraw/zinc/59/05/91/380590591.db2.gz VJRFMOROFIKIAW-UHFFFAOYSA-N 2 0 327.517 -0.034 20 0 EBADRP O=C(CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000568489584 380604389 /nfs/dbraw/zinc/60/43/89/380604389.db2.gz ALVWENUGWJAFAC-MRXNPFEDSA-N 2 0 345.447 -0.008 20 0 EBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000568902171 380623562 /nfs/dbraw/zinc/62/35/62/380623562.db2.gz XOXBTLSCMPPQHD-ZJAHRSJLSA-N 2 0 336.436 -0.711 20 0 EBADRP C[C@H](CNC(=O)C(=O)NCCN1CCOC[C@H]1C)C[NH+]1CCCC1 ZINC000340768628 380626783 /nfs/dbraw/zinc/62/67/83/380626783.db2.gz FMVAADKTRXBMME-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP CN1CCN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)[C@@H](C[NH3+])C1 ZINC000569093265 380629452 /nfs/dbraw/zinc/62/94/52/380629452.db2.gz PSRWJQAXPIQGMH-CABCVRRESA-N 2 0 337.468 -0.968 20 0 EBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000573202098 380661470 /nfs/dbraw/zinc/66/14/70/380661470.db2.gz MHEKQMXLECNVGS-DXCKQFNASA-N 2 0 338.452 -0.591 20 0 EBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000574340466 380707973 /nfs/dbraw/zinc/70/79/73/380707973.db2.gz GYXHNFFJDFCOHM-HNNXBMFYSA-N 2 0 339.484 -0.756 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C)CC[C@@H]1C ZINC000341524633 380712471 /nfs/dbraw/zinc/71/24/71/380712471.db2.gz AVIBZFFYYKVHNH-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)C2CC[NH2+]CC2)c1 ZINC000574757031 380723108 /nfs/dbraw/zinc/72/31/08/380723108.db2.gz NHIPMPGARQCNOR-UHFFFAOYSA-N 2 0 326.422 -0.138 20 0 EBADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@@H]2C[NH2+]CCN2C)C1 ZINC000575355458 380737673 /nfs/dbraw/zinc/73/76/73/380737673.db2.gz IHYCDIOFTNGHAV-JYJNAYRXSA-N 2 0 339.484 -0.215 20 0 EBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000576637458 380778921 /nfs/dbraw/zinc/77/89/21/380778921.db2.gz ZIWYVWYZEXRJJD-ULQDDVLXSA-N 2 0 334.464 -0.296 20 0 EBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638983621 380853195 /nfs/dbraw/zinc/85/31/95/380853195.db2.gz DFCSPDWHRVDCDQ-CQSZACIVSA-N 3 0 346.435 -0.312 20 0 EBADRP COCCN1C[C@H](C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CC1=O ZINC000638987861 380855347 /nfs/dbraw/zinc/85/53/47/380855347.db2.gz LYOAPQUXPNOLMV-CYBMUJFWSA-N 2 0 347.419 -0.075 20 0 EBADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000578226381 380912070 /nfs/dbraw/zinc/91/20/70/380912070.db2.gz KLXZOFLUTLCUMJ-KBPBESRZSA-N 2 0 325.457 -0.162 20 0 EBADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)C1(C)C ZINC000578234165 380915972 /nfs/dbraw/zinc/91/59/72/380915972.db2.gz OHNYVZFPTAKRSL-WBMJQRKESA-N 2 0 326.441 -0.591 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000578740282 380950352 /nfs/dbraw/zinc/95/03/52/380950352.db2.gz ADYVVXFCEQITRX-INIZCTEOSA-N 2 0 338.452 -0.053 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C[C@H](C)O)[C@@H](C)CO)C1 ZINC000377032097 380951350 /nfs/dbraw/zinc/95/13/50/380951350.db2.gz SWNZGMSFAMVEET-HRCADAONSA-N 2 0 345.484 -0.477 20 0 EBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](CC2CCOCC2)CC1 ZINC000567211886 380953659 /nfs/dbraw/zinc/95/36/59/380953659.db2.gz RRBBQRWSOGOECN-QGZVFWFLSA-N 2 0 329.485 -0.030 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CCO1 ZINC000578878158 380958335 /nfs/dbraw/zinc/95/83/35/380958335.db2.gz MLNKWUHTEHQIHV-CABCVRRESA-N 2 0 338.452 -0.351 20 0 EBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)c1 ZINC000377394294 380971711 /nfs/dbraw/zinc/97/17/11/380971711.db2.gz WRCMAZLUDGVHNP-ZFWWWQNUSA-N 2 0 338.433 -0.138 20 0 EBADRP C[C@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[N@H+](C)C1CC1 ZINC000417547963 380935980 /nfs/dbraw/zinc/93/59/80/380935980.db2.gz HNIJJEPPYDXQCT-OLZOCXBDSA-N 2 0 325.457 -0.034 20 0 EBADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000579973715 381028577 /nfs/dbraw/zinc/02/85/77/381028577.db2.gz IJIGIRROCWFPOZ-MCIONIFRSA-N 2 0 325.457 -0.084 20 0 EBADRP CN(Cc1cnn(C)c1)C(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182950515 381003950 /nfs/dbraw/zinc/00/39/50/381003950.db2.gz VLHYRXOCNDPERV-UHFFFAOYSA-N 2 0 336.484 -0.052 20 0 EBADRP [NH3+]CCN(CCc1ccccc1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000582536270 381051046 /nfs/dbraw/zinc/05/10/46/381051046.db2.gz PZAJSINGXJYHGD-UHFFFAOYSA-N 2 0 333.436 -0.369 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000582542531 381051245 /nfs/dbraw/zinc/05/12/45/381051245.db2.gz ZKZQSFGQQQMTQP-INIZCTEOSA-N 2 0 345.484 -0.604 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000582714728 381060638 /nfs/dbraw/zinc/06/06/38/381060638.db2.gz ANJYYJVSFSYEKB-AWEZNQCLSA-N 2 0 325.457 -0.162 20 0 EBADRP C[NH2+]C[C@H](C)CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000418373221 381111310 /nfs/dbraw/zinc/11/13/10/381111310.db2.gz ZLBYLBPLBAHILM-KBPBESRZSA-N 2 0 325.457 -0.210 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC[C@@H]1[NH3+] ZINC000583746990 381132397 /nfs/dbraw/zinc/13/23/97/381132397.db2.gz JRRJSQRPQFYMPG-KBPBESRZSA-N 3 0 327.473 -0.866 20 0 EBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000583865570 381180041 /nfs/dbraw/zinc/18/00/41/381180041.db2.gz KODRTGZALQIHQU-OAHLLOKOSA-N 3 0 341.500 -0.509 20 0 EBADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CNC(=O)C[NH3+])cc2)C1 ZINC000347697764 381257286 /nfs/dbraw/zinc/25/72/86/381257286.db2.gz QSQAUWBOAUMFLT-ZDUSSCGKSA-N 2 0 347.419 -0.603 20 0 EBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000418756467 381261432 /nfs/dbraw/zinc/26/14/32/381261432.db2.gz GZUVVKBIZILHBQ-HUUCEWRRSA-N 2 0 327.473 -0.358 20 0 EBADRP O=C(NC[C@@H]1C[NH2+]CCO1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418774851 381266732 /nfs/dbraw/zinc/26/67/32/381266732.db2.gz VWWVHIZTYKSKKQ-FUHWJXTLSA-N 2 0 348.447 -0.089 20 0 EBADRP CC(C)(CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[NH+]1CCCCC1 ZINC000418834479 381289416 /nfs/dbraw/zinc/28/94/16/381289416.db2.gz LYKMARAGYBQJSF-ZDUSSCGKSA-N 2 0 326.441 -0.528 20 0 EBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000347959651 381295582 /nfs/dbraw/zinc/29/55/82/381295582.db2.gz GYRHDYVOOYSQMY-AWEZNQCLSA-N 2 0 327.473 -0.853 20 0 EBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000418929109 381341992 /nfs/dbraw/zinc/34/19/92/381341992.db2.gz VXXVAWFCNKPFTK-CABCVRRESA-N 2 0 342.484 -0.051 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000418929815 381342110 /nfs/dbraw/zinc/34/21/10/381342110.db2.gz XAWCTPXIUZNNHV-KFWWJZLASA-N 2 0 338.452 -0.720 20 0 EBADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418882521 381330921 /nfs/dbraw/zinc/33/09/21/381330921.db2.gz ZBPFNOKIKKGDRQ-JKSUJKDBSA-N 2 0 348.447 -0.620 20 0 EBADRP C[C@@H](CCNC(=O)C(=O)N(C)CCOCC[NH3+])[NH+]1CCCCC1 ZINC000627387274 381313557 /nfs/dbraw/zinc/31/35/57/381313557.db2.gz MABLAMGJIKWGIE-AWEZNQCLSA-N 2 0 328.457 -0.199 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC000418916053 381347157 /nfs/dbraw/zinc/34/71/57/381347157.db2.gz GOIFXISDCXNGKP-LSDHHAIUSA-N 2 0 340.468 -0.201 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)C1 ZINC000418912505 381347362 /nfs/dbraw/zinc/34/73/62/381347362.db2.gz DEXYFDKNDCBSLD-KGLIPLIRSA-N 2 0 328.457 -0.441 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC[NH2+]1 ZINC000418955582 381349657 /nfs/dbraw/zinc/34/96/57/381349657.db2.gz QSELCPHTIDWOCD-CYBMUJFWSA-N 2 0 349.435 -0.542 20 0 EBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419022787 381356138 /nfs/dbraw/zinc/35/61/38/381356138.db2.gz IRGQRLJTOLPGNU-ILXRZTDVSA-N 2 0 340.468 -0.201 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000419028024 381356795 /nfs/dbraw/zinc/35/67/95/381356795.db2.gz PRKYDZAYNWXUSR-RBSFLKMASA-N 2 0 342.484 -0.179 20 0 EBADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000419032780 381358178 /nfs/dbraw/zinc/35/81/78/381358178.db2.gz XFFWBDWBZIMLHE-KBPBESRZSA-N 2 0 340.468 -0.201 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000418911242 381343632 /nfs/dbraw/zinc/34/36/32/381343632.db2.gz CKWSAUXPDJFVSO-YOEHRIQHSA-N 2 0 342.484 -0.035 20 0 EBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000419131029 381389444 /nfs/dbraw/zinc/38/94/44/381389444.db2.gz BWWRWODMHJJDQT-CYBMUJFWSA-N 2 0 336.436 -0.046 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000419145595 381397166 /nfs/dbraw/zinc/39/71/66/381397166.db2.gz GTCKAMRSOXVUEB-UONOGXRCSA-N 2 0 326.441 -0.591 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000419540733 381450208 /nfs/dbraw/zinc/45/02/08/381450208.db2.gz QVRFROJQJNOOSO-CYBMUJFWSA-N 2 0 326.441 -0.576 20 0 EBADRP C[N@H+](CCCNC(=O)C(=O)N(CC[NH3+])CCO)C1CCCCC1 ZINC000419402683 381428166 /nfs/dbraw/zinc/42/81/66/381428166.db2.gz CTZKEHQPGNTKOW-UHFFFAOYSA-N 2 0 328.457 -0.463 20 0 EBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000419538227 381450493 /nfs/dbraw/zinc/45/04/93/381450493.db2.gz OOSHPMZJXBWFJM-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419413993 381431053 /nfs/dbraw/zinc/43/10/53/381431053.db2.gz DRNVPKUBQHECNX-UONOGXRCSA-N 2 0 326.441 -0.447 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C)C1CC1 ZINC000419520905 381443275 /nfs/dbraw/zinc/44/32/75/381443275.db2.gz ISLPCJJAOQYWPB-DGCLKSJQSA-N 2 0 326.441 -0.184 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C[C@H](C)[NH2+]1 ZINC000419486098 381445418 /nfs/dbraw/zinc/44/54/18/381445418.db2.gz XAEIDZOYZNPFEZ-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000419474157 381445711 /nfs/dbraw/zinc/44/57/11/381445711.db2.gz BUNJJIZEICJMGO-LSDHHAIUSA-N 2 0 340.468 -0.199 20 0 EBADRP [NH3+]C[C@H](NC(=O)C(=O)NCCCC[NH+]1CCOCC1)C1CCCC1 ZINC000419478396 381446151 /nfs/dbraw/zinc/44/61/51/381446151.db2.gz JMMZPXZZHRESMM-HNNXBMFYSA-N 2 0 340.468 -0.151 20 0 EBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419337997 381418989 /nfs/dbraw/zinc/41/89/89/381418989.db2.gz RPXJSAWBESYYCL-RFHZTLPTSA-N 2 0 338.452 -0.186 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000419679955 381480912 /nfs/dbraw/zinc/48/09/12/381480912.db2.gz QICHPUDBNIPCOJ-SOUVJXGZSA-N 2 0 340.468 -0.343 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000419722943 381481369 /nfs/dbraw/zinc/48/13/69/381481369.db2.gz FEWBOCJDNVJUQA-BYNSBNAKSA-N 2 0 338.452 -0.591 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000419547202 381452200 /nfs/dbraw/zinc/45/22/00/381452200.db2.gz RFHPSRCYQKDRAC-BFHYXJOUSA-N 2 0 326.441 -0.578 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000419549478 381453614 /nfs/dbraw/zinc/45/36/14/381453614.db2.gz VSLARDJJQIUOEZ-HUUCEWRRSA-N 2 0 340.468 -0.153 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000419554582 381454630 /nfs/dbraw/zinc/45/46/30/381454630.db2.gz IBEPDSKSSOKOLB-ZDEQEGDKSA-N 2 0 326.441 -0.186 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)[N@H+](C)C1CC1 ZINC000419589709 381459992 /nfs/dbraw/zinc/45/99/92/381459992.db2.gz PLXOUBYFWKEVRD-GMXVVIOVSA-N 2 0 326.441 -0.186 20 0 EBADRP CC(C)(CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)C[NH+]1CCCC1 ZINC000419661293 381466967 /nfs/dbraw/zinc/46/69/67/381466967.db2.gz FGQQYEKUUDGXBS-ZDUSSCGKSA-N 2 0 326.441 -0.671 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000419672930 381468527 /nfs/dbraw/zinc/46/85/27/381468527.db2.gz GVOIJRNOWXZBPZ-KBPBESRZSA-N 2 0 328.457 -0.201 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000419672937 381468743 /nfs/dbraw/zinc/46/87/43/381468743.db2.gz GVOIJRNOWXZBPZ-ZIAGYGMSSA-N 2 0 328.457 -0.201 20 0 EBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419841704 381504126 /nfs/dbraw/zinc/50/41/26/381504126.db2.gz KPOSTLLEVLJNAH-UONOGXRCSA-N 2 0 338.452 -0.434 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419845668 381505083 /nfs/dbraw/zinc/50/50/83/381505083.db2.gz FGWUYZAZDKQQTD-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP C[NH2+]CCCNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000419848028 381505998 /nfs/dbraw/zinc/50/59/98/381505998.db2.gz SOXWGZZNTUANDV-OAHLLOKOSA-N 2 0 339.484 -0.659 20 0 EBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419859928 381511737 /nfs/dbraw/zinc/51/17/37/381511737.db2.gz BIRGQQZANXYVBF-HNNXBMFYSA-N 2 0 339.484 -0.659 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CCCCC1 ZINC000419824781 381514426 /nfs/dbraw/zinc/51/44/26/381514426.db2.gz QTBGAWRSMHHEHI-CQSZACIVSA-N 2 0 340.468 -0.138 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CCCO1 ZINC000419729706 381492791 /nfs/dbraw/zinc/49/27/91/381492791.db2.gz IOVGXENWHFVDEZ-HUUCEWRRSA-N 2 0 338.452 -0.304 20 0 EBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000419807127 381496077 /nfs/dbraw/zinc/49/60/77/381496077.db2.gz IISOVGXAOPFBGK-CVEARBPZSA-N 2 0 348.447 -0.018 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCC[NH3+])CC1 ZINC000419831262 381499818 /nfs/dbraw/zinc/49/98/18/381499818.db2.gz HHMIQNUUNZEVPA-ZIAGYGMSSA-N 2 0 325.457 -0.922 20 0 EBADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NCC[NH3+] ZINC000419827083 381500061 /nfs/dbraw/zinc/50/00/61/381500061.db2.gz AWNNRMDMZRKTER-UHFFFAOYSA-N 2 0 328.363 -0.070 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419836006 381501793 /nfs/dbraw/zinc/50/17/93/381501793.db2.gz BCXZSMSCNDCSHA-MJBXVCDLSA-N 2 0 326.441 -0.530 20 0 EBADRP C[C@H](CNC(=O)NCCN1CCOC[C@H]1C)CN1CCOCC1 ZINC000350094544 381502842 /nfs/dbraw/zinc/50/28/42/381502842.db2.gz IGENMRSGGIVNHA-HUUCEWRRSA-N 2 0 328.457 -0.025 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000419837264 381502903 /nfs/dbraw/zinc/50/29/03/381502903.db2.gz WLEAJOAQFZRMBM-CABCVRRESA-N 2 0 339.484 -0.804 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000420074290 381536716 /nfs/dbraw/zinc/53/67/16/381536716.db2.gz HOTCMNDKSJIGOL-CYBMUJFWSA-N 2 0 328.457 -0.201 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCCO[C@H](C[NH3+])C2)C1 ZINC000420392018 381583832 /nfs/dbraw/zinc/58/38/32/381583832.db2.gz PCMCXKDOZPQZFR-CVEARBPZSA-N 2 0 342.484 -0.491 20 0 EBADRP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420303084 381578172 /nfs/dbraw/zinc/57/81/72/381578172.db2.gz GWHHNIQCRPEAMM-LLVKDONJSA-N 2 0 349.435 -0.687 20 0 EBADRP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420304730 381578511 /nfs/dbraw/zinc/57/85/11/381578511.db2.gz FOVOSOXXWFYAFO-MNOVXSKESA-N 2 0 337.424 -0.702 20 0 EBADRP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420347736 381579442 /nfs/dbraw/zinc/57/94/42/381579442.db2.gz HXZNKCQBFDYRPU-ZIAGYGMSSA-N 2 0 325.457 -0.164 20 0 EBADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NC[C@@H]1CCCO1 ZINC000420300800 381579468 /nfs/dbraw/zinc/57/94/68/381579468.db2.gz VFHAQHWUPIVTQF-CABCVRRESA-N 2 0 338.452 -0.575 20 0 EBADRP C[C@@H]1CC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@H]1C[NH3+] ZINC000420409335 381584039 /nfs/dbraw/zinc/58/40/39/381584039.db2.gz QMOVQRWPVSTNEN-CHWSQXEVSA-N 2 0 348.451 -0.260 20 0 EBADRP Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(=O)n(C)c1=O ZINC000420328432 381581757 /nfs/dbraw/zinc/58/17/57/381581757.db2.gz MLTKLPJIWLVSLO-NEPJUHHUSA-N 2 0 349.435 -0.830 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000420183471 381564898 /nfs/dbraw/zinc/56/48/98/381564898.db2.gz MHZOLTOAUJNUNS-OAHLLOKOSA-N 2 0 340.468 -0.185 20 0 EBADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000420193332 381567119 /nfs/dbraw/zinc/56/71/19/381567119.db2.gz IPJQZKKZVSASRH-GJZGRUSLSA-N 2 0 338.452 -0.432 20 0 EBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420202057 381568516 /nfs/dbraw/zinc/56/85/16/381568516.db2.gz PBDXXWJRWJYOGL-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000420201088 381569520 /nfs/dbraw/zinc/56/95/20/381569520.db2.gz NNKIVLHPGGSNMH-MCIONIFRSA-N 2 0 326.441 -0.672 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420172488 381571411 /nfs/dbraw/zinc/57/14/11/381571411.db2.gz VQAYTDMABSZIJN-AWEZNQCLSA-N 2 0 342.484 -0.083 20 0 EBADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C1)c(=O)n2C ZINC000351488964 381628712 /nfs/dbraw/zinc/62/87/12/381628712.db2.gz GUADYWAIKLPTFR-YNEHKIRRSA-N 2 0 346.435 -0.507 20 0 EBADRP COC1(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC[NH2+]CC1 ZINC000167412112 381624048 /nfs/dbraw/zinc/62/40/48/381624048.db2.gz KCSVXWGOLVMMDC-UHFFFAOYSA-N 2 0 338.452 -0.478 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351519177 381635741 /nfs/dbraw/zinc/63/57/41/381635741.db2.gz NTOOEJODRWXHES-AWEZNQCLSA-N 2 0 326.441 -0.528 20 0 EBADRP CN(C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1)c1nccn(C)c1=O ZINC000261831452 381666202 /nfs/dbraw/zinc/66/62/02/381666202.db2.gz JBDKSGWRPVVZQO-HNNXBMFYSA-N 2 0 335.452 -0.083 20 0 EBADRP [NH3+]C1(CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CCOCC1 ZINC000627456018 381778585 /nfs/dbraw/zinc/77/85/85/381778585.db2.gz VPZMHGYVOBKYDC-CQSZACIVSA-N 2 0 338.452 -0.303 20 0 EBADRP CC[NH+]1CCN(CCCNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000352086472 381870317 /nfs/dbraw/zinc/87/03/17/381870317.db2.gz COPVXYAOSXNMPH-HNNXBMFYSA-N 2 0 327.473 -0.770 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612874217 381874736 /nfs/dbraw/zinc/87/47/36/381874736.db2.gz CEUSGMAXZYVRSC-BBRMVZONSA-N 2 0 325.457 -0.020 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000627463950 381907026 /nfs/dbraw/zinc/90/70/26/381907026.db2.gz NEZSFRDSLHBVCW-OAHLLOKOSA-N 2 0 340.468 -0.471 20 0 EBADRP CC(C)[C@H](CNC(=O)N(C)CCOCC[NH3+])[NH+]1CCN(C)CC1 ZINC000626929329 381956206 /nfs/dbraw/zinc/95/62/06/381956206.db2.gz KTBXFHQAWQJVEV-HNNXBMFYSA-N 2 0 329.489 -0.125 20 0 EBADRP CC(C)[C@@H](CNC(=O)NC[C@H]1COCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000626930191 381958053 /nfs/dbraw/zinc/95/80/53/381958053.db2.gz XXJFTAWPJAEPGW-LSDHHAIUSA-N 2 0 327.473 -0.454 20 0 EBADRP C[NH2+]CCOCCNC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000626929738 381958212 /nfs/dbraw/zinc/95/82/12/381958212.db2.gz QVKBQSSPNVSZMV-OAHLLOKOSA-N 2 0 329.489 -0.206 20 0 EBADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000626913641 381938842 /nfs/dbraw/zinc/93/88/42/381938842.db2.gz QQHOEWGWFACMEK-CQSZACIVSA-N 2 0 347.419 -0.007 20 0 EBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000626915617 381941390 /nfs/dbraw/zinc/94/13/90/381941390.db2.gz SPGPTGIGFFNJBS-ZDUSSCGKSA-N 2 0 332.404 -0.546 20 0 EBADRP C[NH+](C)CC(=O)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 ZINC000352392684 381977594 /nfs/dbraw/zinc/97/75/94/381977594.db2.gz VXTYCQVKHAETRI-UHFFFAOYSA-N 2 0 334.424 -0.477 20 0 EBADRP CC[NH2+]CC1CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000430555974 382021656 /nfs/dbraw/zinc/02/16/56/382021656.db2.gz JZXWDWACVCOVRY-UHFFFAOYSA-N 2 0 348.513 -0.294 20 0 EBADRP CN(CCC[NH+](C)C)CCNC(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000640335203 382088015 /nfs/dbraw/zinc/08/80/15/382088015.db2.gz AIATUHUIALQTTG-UHFFFAOYSA-N 2 0 340.428 -0.911 20 0 EBADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000353463709 382148360 /nfs/dbraw/zinc/14/83/60/382148360.db2.gz WMLJAFZCOZDSAC-UONOGXRCSA-N 2 0 336.440 -0.113 20 0 EBADRP CO[C@@H](C[NH3+])C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000353506931 382150776 /nfs/dbraw/zinc/15/07/76/382150776.db2.gz FFBQCEMHNSOIKZ-ZDUSSCGKSA-N 2 0 328.457 -0.297 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC[C@H](O)C[NH+]1CCCC1 ZINC000629558990 382223620 /nfs/dbraw/zinc/22/36/20/382223620.db2.gz ORJSRHPCPRZAJX-HOTGVXAUSA-N 2 0 326.485 -0.025 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCSC1 ZINC000331406198 155367575 /nfs/dbraw/zinc/36/75/75/155367575.db2.gz BDCPMGAOOSPNMK-ZENOOKHLSA-N 2 0 340.493 -0.392 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@@H]1[NH+](C)C ZINC000331432003 155369715 /nfs/dbraw/zinc/36/97/15/155369715.db2.gz UHFLOICFQOBBGB-MHEUCROKSA-N 2 0 348.451 -0.918 20 0 EBADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000331751416 155393575 /nfs/dbraw/zinc/39/35/75/155393575.db2.gz AGAZJFLOPNFBFU-RRFJBIMHSA-N 2 0 337.468 -0.033 20 0 EBADRP COCC[NH2+]CCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000237271808 154171094 /nfs/dbraw/zinc/17/10/94/154171094.db2.gz SKLSEJPLYPTLRV-UHFFFAOYSA-N 2 0 335.452 -0.054 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cn1 ZINC000262090205 154211588 /nfs/dbraw/zinc/21/15/88/154211588.db2.gz UKXUDQDWZXCWIJ-OLZOCXBDSA-N 2 0 338.412 -0.994 20 0 EBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C[C@@H]2COCC[NH2+]2)c1 ZINC000262386188 154229016 /nfs/dbraw/zinc/22/90/16/154229016.db2.gz NORARASKZTUSPR-MRXNPFEDSA-N 2 0 348.447 -0.027 20 0 EBADRP CC[C@@H](NC(=O)CNC(=O)C[NH3+])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000262420356 154230371 /nfs/dbraw/zinc/23/03/71/154230371.db2.gz QWKPIMRLVFFDSV-CVEARBPZSA-N 2 0 348.447 -0.143 20 0 EBADRP C[NH+]1CCN(c2cc(CNC(=O)C[C@@H]3COCC[NH2+]3)ccn2)CC1 ZINC000262466171 154233954 /nfs/dbraw/zinc/23/39/54/154233954.db2.gz XULSGFADKLJJJW-OAHLLOKOSA-N 2 0 333.436 -0.172 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[NH2+]CCOC)CC1=O ZINC000262667850 154242847 /nfs/dbraw/zinc/24/28/47/154242847.db2.gz PQDQNGSANCBWBS-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCOCC[NH+](C)C ZINC000342038239 156000437 /nfs/dbraw/zinc/00/04/37/156000437.db2.gz NLBQAQHFAYKEOE-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP CC(C)[C@@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)[NH+]1CCN(C)CC1 ZINC000343436622 156133586 /nfs/dbraw/zinc/13/35/86/156133586.db2.gz DDEFAAISNCNTJT-SJORKVTESA-N 2 0 337.512 -0.236 20 0 EBADRP CC(C)[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)[NH+]1CCN(C)CC1 ZINC000343436618 156134944 /nfs/dbraw/zinc/13/49/44/156134944.db2.gz DDEFAAISNCNTJT-IRXDYDNUSA-N 2 0 337.512 -0.236 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000343892824 156180433 /nfs/dbraw/zinc/18/04/33/156180433.db2.gz PKLKGMAWKBMNET-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000343917622 156187668 /nfs/dbraw/zinc/18/76/68/156187668.db2.gz QPUSDIMZNSVXNZ-QLFBSQMISA-N 2 0 340.468 -0.236 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000345244998 156316367 /nfs/dbraw/zinc/31/63/67/156316367.db2.gz COWRVMMDAVRAAL-FGTMMUONSA-N 2 0 349.523 -0.139 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCC[NH+](C)[C@@H]1C ZINC000357583088 157155435 /nfs/dbraw/zinc/15/54/35/157155435.db2.gz USWQHTXEXCYLIX-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP CC(=O)N[C@@H](C)C1CC[NH+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000357842582 157180856 /nfs/dbraw/zinc/18/08/56/157180856.db2.gz QDNOLNISABOLDQ-WFASDCNBSA-N 2 0 338.452 -0.088 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCO[C@@H](C[NH3+])C2)C1 ZINC000358140018 157214909 /nfs/dbraw/zinc/21/49/09/157214909.db2.gz TYXISTNRTJSKTF-GJZGRUSLSA-N 2 0 328.457 -0.881 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[NH+](C)CCOC ZINC000358557580 157259393 /nfs/dbraw/zinc/25/93/93/157259393.db2.gz FEEPGWVDCWLBOS-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000358578084 157263509 /nfs/dbraw/zinc/26/35/09/157263509.db2.gz YBLSBRYUYSUUSP-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC[C@H](C)C1 ZINC000358575733 157263646 /nfs/dbraw/zinc/26/36/46/157263646.db2.gz VOEUOSOYDJWAQT-LSDHHAIUSA-N 2 0 342.484 -0.083 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000358575727 157264257 /nfs/dbraw/zinc/26/42/57/157264257.db2.gz VOEUOSOYDJWAQT-CABCVRRESA-N 2 0 342.484 -0.083 20 0 EBADRP CN1CCN(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1=O ZINC000358630662 157267733 /nfs/dbraw/zinc/26/77/33/157267733.db2.gz OBYPFHOAQMAEHW-UHFFFAOYSA-N 2 0 341.500 -0.508 20 0 EBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000359270897 157310827 /nfs/dbraw/zinc/31/08/27/157310827.db2.gz KIHVPBMTPKUZHV-CQSZACIVSA-N 2 0 342.484 -0.347 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NCCOCC[NH+](C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000360277335 157371403 /nfs/dbraw/zinc/37/14/03/157371403.db2.gz AXQSKLWZAOUOFV-GJZGRUSLSA-N 2 0 342.484 -0.083 20 0 EBADRP C[C@@H](NC(=O)C(=O)NCCOCC[NH+](C)C)C1=CC[N@H+](C)CC1 ZINC000360277778 157371812 /nfs/dbraw/zinc/37/18/12/157371812.db2.gz DMVOPEXKFKTYBT-CYBMUJFWSA-N 2 0 326.441 -0.553 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000360278097 157372107 /nfs/dbraw/zinc/37/21/07/157372107.db2.gz HGMDREVMJRUKFZ-OAHLLOKOSA-N 2 0 340.468 -0.375 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419860683 419022114 /nfs/dbraw/zinc/02/21/14/419022114.db2.gz AYUXRAXIBNEIFQ-KFWWJZLASA-N 2 0 340.468 -0.058 20 0 EBADRP CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000518332509 419022871 /nfs/dbraw/zinc/02/28/71/419022871.db2.gz PDDMKYHXZWDINM-GJZGRUSLSA-N 2 0 342.484 -0.442 20 0 EBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000410469581 419030082 /nfs/dbraw/zinc/03/00/82/419030082.db2.gz CBZHFRSHMNJSGZ-ZIAGYGMSSA-N 2 0 326.441 -0.672 20 0 EBADRP C[N@@H+]1CCC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000531006826 419045031 /nfs/dbraw/zinc/04/50/31/419045031.db2.gz UPTJHWNNYQXCGW-UONOGXRCSA-N 2 0 325.457 -0.033 20 0 EBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000653150167 418995695 /nfs/dbraw/zinc/99/56/95/418995695.db2.gz STAIZIRGHFAVNI-HOTGVXAUSA-N 2 0 325.501 -0.106 20 0 EBADRP C[C@H]([C@H](C)NC(=O)C(=O)NCCC1(C[NH3+])CC1)N1CCOCC1 ZINC000652690488 419062503 /nfs/dbraw/zinc/06/25/03/419062503.db2.gz IVRVQXUGPUIRQK-QWHCGFSZSA-N 2 0 326.441 -0.543 20 0 EBADRP CC1(C)NC(=O)CC[C@H]1[NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000644537936 419169144 /nfs/dbraw/zinc/16/91/44/419169144.db2.gz HQOLJOTYTWUMRJ-UONOGXRCSA-N 2 0 338.452 -0.434 20 0 EBADRP CN1CCN(C)[C@@H](C[NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000644559455 419169200 /nfs/dbraw/zinc/16/92/00/419169200.db2.gz PCCOBAJAFYFCFJ-UONOGXRCSA-N 2 0 346.431 -0.521 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C[C@H]1C[NH3+] ZINC000652681577 419251540 /nfs/dbraw/zinc/25/15/40/419251540.db2.gz NRZJGXGVVRIJQU-KYEXWDHISA-N 2 0 338.452 -0.450 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[C@H]1C[NH3+] ZINC000652687956 419259585 /nfs/dbraw/zinc/25/95/85/419259585.db2.gz RHWLMDLWUNQXBF-RBSFLKMASA-N 2 0 338.452 -0.591 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531295675 419222543 /nfs/dbraw/zinc/22/25/43/419222543.db2.gz HMWQCEQQODNAIE-PKOBYXMFSA-N 2 0 346.475 -0.015 20 0 EBADRP C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@@H]1C[NH3+] ZINC000652624592 419241573 /nfs/dbraw/zinc/24/15/73/419241573.db2.gz LACNBEGMTIOFNQ-OLZOCXBDSA-N 2 0 336.440 -0.174 20 0 EBADRP CC[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[C@@H]1[NH3+] ZINC000652623399 419241729 /nfs/dbraw/zinc/24/17/29/419241729.db2.gz HYIYIIPDCAMJQS-JSGCOSHPSA-N 2 0 336.440 -0.031 20 0 EBADRP C[NH+](C)CC(=O)N1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000268419198 419318887 /nfs/dbraw/zinc/31/88/87/419318887.db2.gz PWNPIQCMOXOLSH-UHFFFAOYSA-N 2 0 330.396 -0.545 20 0 EBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000652705477 419301472 /nfs/dbraw/zinc/30/14/72/419301472.db2.gz IRRDDZFVFSSQAZ-KBPBESRZSA-N 2 0 328.457 -0.345 20 0 EBADRP [NH3+]CC1(CCNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000652714699 419304889 /nfs/dbraw/zinc/30/48/89/419304889.db2.gz QDXHFMOUMHOFJU-UHFFFAOYSA-N 2 0 331.420 -0.025 20 0 EBADRP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N(C)CCC[NH3+] ZINC000647849088 419310259 /nfs/dbraw/zinc/31/02/59/419310259.db2.gz HIHSVXGYDUBNQP-GFCCVEGCSA-N 2 0 342.465 -0.338 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)C[C@H]1C[NH3+] ZINC000652729534 419324683 /nfs/dbraw/zinc/32/46/83/419324683.db2.gz JNVZJZIWMJYNTP-LJISPDSOSA-N 2 0 340.468 -0.393 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H]1C[NH3+] ZINC000652729674 419325836 /nfs/dbraw/zinc/32/58/36/419325836.db2.gz PAZJXLLKZWCORY-APIJFGDWSA-N 2 0 338.452 -0.496 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)C[C@H]1C[NH3+] ZINC000652730619 419328640 /nfs/dbraw/zinc/32/86/40/419328640.db2.gz JJBQOVFRVFRIPG-LJISPDSOSA-N 2 0 338.452 -0.639 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CCSC1 ZINC000659462654 419329004 /nfs/dbraw/zinc/32/90/04/419329004.db2.gz DCIVWJISFDTKLF-AWEZNQCLSA-N 2 0 340.453 -0.123 20 0 EBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652730983 419329846 /nfs/dbraw/zinc/32/98/46/419329846.db2.gz YAALXVHSEQTQON-HUUCEWRRSA-N 2 0 342.484 -0.001 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340484134 419361079 /nfs/dbraw/zinc/36/10/79/419361079.db2.gz NAWRGMOMYWIKIW-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)C[NH+](C)C(C)C)CC1=O ZINC000341294517 419388013 /nfs/dbraw/zinc/38/80/13/419388013.db2.gz ATAIIXIBYWQMRA-CQSZACIVSA-N 2 0 328.457 -0.378 20 0 EBADRP CC(C)[N@H+](C)C[C@H](O)CN1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000647966632 419401129 /nfs/dbraw/zinc/40/11/29/419401129.db2.gz ATKNHQOSGMXUMX-JKSUJKDBSA-N 2 0 326.485 -0.074 20 0 EBADRP C[C@H](CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@H](C)[NH+](C)C)O1)[NH+](C)C ZINC000666243131 419408860 /nfs/dbraw/zinc/40/88/60/419408860.db2.gz BVWBNCJDWGTBBD-KPWCQOOUSA-N 2 0 328.457 -0.333 20 0 EBADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)c2)CC1 ZINC000415290705 419412314 /nfs/dbraw/zinc/41/23/14/419412314.db2.gz DSTXWVPTXAYNRN-OAHLLOKOSA-N 2 0 345.447 -0.068 20 0 EBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000520403095 419564726 /nfs/dbraw/zinc/56/47/26/419564726.db2.gz HJPZDUPTSHTIRZ-OAHLLOKOSA-N 2 0 339.484 -0.659 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000653444241 419604849 /nfs/dbraw/zinc/60/48/49/419604849.db2.gz GEQNKCHMRTXMJS-MCIONIFRSA-N 2 0 326.441 -0.626 20 0 EBADRP C[C@H](NC(=O)N[C@H]1CCC[N@H+](CCCO)C1)[C@H]1CN(C)CCO1 ZINC000655709954 419620471 /nfs/dbraw/zinc/62/04/71/419620471.db2.gz QJKCAEHIRFBWSN-SOUVJXGZSA-N 2 0 328.457 -0.149 20 0 EBADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH2+]C)[C@H](C)C1 ZINC000659683466 419694452 /nfs/dbraw/zinc/69/44/52/419694452.db2.gz ZHTLBXGAYOCWQU-KFWWJZLASA-N 2 0 342.484 -0.036 20 0 EBADRP CC1(OCC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C[NH2+]C1 ZINC000648105586 419644194 /nfs/dbraw/zinc/64/41/94/419644194.db2.gz LLGIHRFRHHMMCE-UONOGXRCSA-N 2 0 338.452 -0.528 20 0 EBADRP [NH3+][C@H](CNC(=O)C[C@@]1(C(=O)NC[C@@H]([NH3+])C2CC2)CC[NH2+]C1)C1CC1 ZINC000378314855 419745839 /nfs/dbraw/zinc/74/58/39/419745839.db2.gz LNGLPVNEELVDEZ-CPUCHLNUSA-N 3 0 337.468 -0.937 20 0 EBADRP CC[NH+]1CCN(CC(=O)N2CCN(CCOCCOC)CC2)CC1 ZINC000652999889 419776506 /nfs/dbraw/zinc/77/65/06/419776506.db2.gz NXQPBDXCEBDFKJ-UHFFFAOYSA-N 2 0 342.484 -0.569 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419875678 419813162 /nfs/dbraw/zinc/81/31/62/419813162.db2.gz WWPNHCYLKFARGA-KBPBESRZSA-N 2 0 326.441 -0.591 20 0 EBADRP CCC[NH2+]CCNC(=O)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000419908645 419817253 /nfs/dbraw/zinc/81/72/53/419817253.db2.gz IZTUWJGHBDPPSR-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419921963 419821103 /nfs/dbraw/zinc/82/11/03/419821103.db2.gz YSEHKCZDIAKTCB-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C[C@@H](C)O1 ZINC000419932302 419826039 /nfs/dbraw/zinc/82/60/39/419826039.db2.gz DOFOIIGIZCADHP-KFWWJZLASA-N 2 0 340.468 -0.140 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000420064843 419838522 /nfs/dbraw/zinc/83/85/22/419838522.db2.gz OYEJTXXDLPDFPZ-AVGNSLFASA-N 2 0 326.441 -0.374 20 0 EBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000423206530 419923944 /nfs/dbraw/zinc/92/39/44/419923944.db2.gz GAPXFRGNLSPKFN-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CCO1 ZINC000423226294 419924856 /nfs/dbraw/zinc/92/48/56/419924856.db2.gz QDZIARWSTTVXNU-CABCVRRESA-N 2 0 338.452 -0.351 20 0 EBADRP O=C([C@H]1CCn2ccnc2C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000527593635 419949389 /nfs/dbraw/zinc/94/93/89/419949389.db2.gz JXMRDUZDKCNODE-AWEZNQCLSA-N 2 0 346.435 -0.385 20 0 EBADRP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)CN1CCOCC1 ZINC000514933802 419975001 /nfs/dbraw/zinc/97/50/01/419975001.db2.gz ZANBFKUFUIISJS-IXDOHACOSA-N 2 0 327.469 -0.353 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000514999825 419975063 /nfs/dbraw/zinc/97/50/63/419975063.db2.gz TXBBBIGKWXQMRH-HNNXBMFYSA-N 2 0 342.484 -0.034 20 0 EBADRP CN(C[C@H]1CCCO1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000516007571 419987323 /nfs/dbraw/zinc/98/73/23/419987323.db2.gz PKIAEBRCKXRKOT-CQSZACIVSA-N 2 0 328.457 -0.424 20 0 EBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000645978184 420531240 /nfs/dbraw/zinc/53/12/40/420531240.db2.gz WGXBXOSFFOTOKH-ZFWWWQNUSA-N 2 0 337.468 -0.861 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529299858 420758941 /nfs/dbraw/zinc/75/89/41/420758941.db2.gz OKPXRSJCWTVSSK-CQSZACIVSA-N 2 0 338.456 -0.567 20 0 EBADRP CN1CC[NH+](CC2CCN(C(=O)NC[C@@H]3COCC[NH2+]3)CC2)CC1 ZINC000529380347 420764584 /nfs/dbraw/zinc/76/45/84/420764584.db2.gz VAIBHGMQDZLLAA-MRXNPFEDSA-N 2 0 339.484 -0.356 20 0 EBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)NC[C@H]3COCC[NH2+]3)C2)CC1 ZINC000529379356 420765472 /nfs/dbraw/zinc/76/54/72/420765472.db2.gz KLXNHFBZTWQWSV-LSDHHAIUSA-N 2 0 325.457 -0.604 20 0 EBADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529391030 420766496 /nfs/dbraw/zinc/76/64/96/420766496.db2.gz XBLWSLRJAQFSTG-ZNMIVQPWSA-N 2 0 326.441 -0.097 20 0 EBADRP CN1CCO[C@@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)C1 ZINC000529751802 420771753 /nfs/dbraw/zinc/77/17/53/420771753.db2.gz JKJJVLHXWQCDIC-CZUORRHYSA-N 2 0 327.425 -0.951 20 0 EBADRP CC[N@H+](CCO)CCNC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000187107541 420708439 /nfs/dbraw/zinc/70/84/39/420708439.db2.gz PEFMDZOQVHBUQY-INIZCTEOSA-N 2 0 343.516 -0.128 20 0 EBADRP C[C@@H]1CN(C(C)(C)CNC(=O)CN2CCNCC2=O)C[C@H](C)O1 ZINC000237654728 420736222 /nfs/dbraw/zinc/73/62/22/420736222.db2.gz VVGIZHFCXHTDHW-BETUJISGSA-N 2 0 326.441 -0.578 20 0 EBADRP COC[C@]1(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC[NH2+]C1 ZINC000519602361 420806265 /nfs/dbraw/zinc/80/62/65/420806265.db2.gz WCBQZMZUQJDXEI-KRWDZBQOSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)c1ccccc1 ZINC000650043421 420820821 /nfs/dbraw/zinc/82/08/21/420820821.db2.gz XJQUBUYKJHYWKU-QLFBSQMISA-N 2 0 344.415 -0.390 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000658450667 420856966 /nfs/dbraw/zinc/85/69/66/420856966.db2.gz OJQMMLZYHCVOSZ-HNNXBMFYSA-N 2 0 340.468 -0.546 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656020621 420866538 /nfs/dbraw/zinc/86/65/38/420866538.db2.gz SZTVWTZQSAAHJG-RWMBFGLXSA-N 2 0 326.441 -0.532 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656024893 420867154 /nfs/dbraw/zinc/86/71/54/420867154.db2.gz UBRTXGWUHIASBP-SEBNEYGDSA-N 2 0 340.468 -0.286 20 0 EBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000656020106 420867610 /nfs/dbraw/zinc/86/76/10/420867610.db2.gz OEBHUOHJWXZZBS-UHFFFAOYSA-N 2 0 339.484 -0.659 20 0 EBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656040652 420868143 /nfs/dbraw/zinc/86/81/43/420868143.db2.gz NOQXWWHDSJLKLE-XQLPTFJDSA-N 2 0 340.468 -0.189 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000656039790 420868669 /nfs/dbraw/zinc/86/86/69/420868669.db2.gz GUWBQBBDFCDMQU-KBXIAJHMSA-N 2 0 340.468 -0.060 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656040624 420868984 /nfs/dbraw/zinc/86/89/84/420868984.db2.gz MXEYAXHMGNMPSK-MCIONIFRSA-N 2 0 340.468 -0.202 20 0 EBADRP CCCN(C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C1CC[NH2+]CC1 ZINC000656104609 420881046 /nfs/dbraw/zinc/88/10/46/420881046.db2.gz SEKBZLPHEPUTTK-LSDHHAIUSA-N 2 0 338.452 -0.746 20 0 EBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000656104516 420881054 /nfs/dbraw/zinc/88/10/54/420881054.db2.gz PTOZZVAMKXMIMJ-CQSZACIVSA-N 2 0 340.468 -0.105 20 0 EBADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656304646 420887170 /nfs/dbraw/zinc/88/71/70/420887170.db2.gz DSRRUXMEGJALPH-LSDHHAIUSA-N 2 0 338.452 -0.888 20 0 EBADRP C[C@@H](NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C1=CC[NH+](C)CC1 ZINC000656336082 420892397 /nfs/dbraw/zinc/89/23/97/420892397.db2.gz UVNBGZZDZSHGTD-VHDGCEQUSA-N 2 0 336.436 -0.970 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCc2nccnc2C1 ZINC000658534477 420960738 /nfs/dbraw/zinc/96/07/38/420960738.db2.gz CHECQHUUCPQGHY-UHFFFAOYSA-N 2 0 348.451 -0.687 20 0 EBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529306412 420948830 /nfs/dbraw/zinc/94/88/30/420948830.db2.gz NUVAAAOFGGGJGA-CQSZACIVSA-N 2 0 341.456 -0.783 20 0 EBADRP COCCN1CCN(C(=O)C(=O)N2CCC[C@H](n3ccnc3)C2)CC1 ZINC000659262225 420994709 /nfs/dbraw/zinc/99/47/09/420994709.db2.gz NMFAODDCKBZKHR-HNNXBMFYSA-N 2 0 349.435 -0.163 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000659318656 420995103 /nfs/dbraw/zinc/99/51/03/420995103.db2.gz QDQCUVJAFLOZHR-HNNXBMFYSA-N 3 0 341.500 -0.509 20 0 EBADRP CN1CCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)[C@H](C[NH3+])C1 ZINC000659609460 421004817 /nfs/dbraw/zinc/00/48/17/421004817.db2.gz WKSMCLCILXNNMY-LSDHHAIUSA-N 3 0 325.457 -0.476 20 0 EBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@H](C)C1 ZINC000659628984 421006824 /nfs/dbraw/zinc/00/68/24/421006824.db2.gz BKYBIQXUNSQXRK-GHMZBOCLSA-N 2 0 338.412 -0.763 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659681259 421013634 /nfs/dbraw/zinc/01/36/34/421013634.db2.gz ZFLBLUUGWFAJME-CQSZACIVSA-N 2 0 340.468 -0.153 20 0 EBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000659708637 421018629 /nfs/dbraw/zinc/01/86/29/421018629.db2.gz VDWRCKHYFOTSHF-UHFFFAOYSA-N 2 0 328.457 -0.201 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CCO1 ZINC000659714081 421020015 /nfs/dbraw/zinc/02/00/15/421020015.db2.gz UTYUEMBLCBVYAZ-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CCO1 ZINC000659723829 421023035 /nfs/dbraw/zinc/02/30/35/421023035.db2.gz KZINUNYHDFNXGH-SOUVJXGZSA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000659749682 421029678 /nfs/dbraw/zinc/02/96/78/421029678.db2.gz ANZBBDKZNJKTBQ-ZIAGYGMSSA-N 2 0 326.441 -0.719 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000659750154 421029921 /nfs/dbraw/zinc/02/99/21/421029921.db2.gz ANZBBDKZNJKTBQ-KGLIPLIRSA-N 2 0 326.441 -0.719 20 0 EBADRP O=C(NCCCN1CC[NH2+]CC1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662390792 421085283 /nfs/dbraw/zinc/08/52/83/421085283.db2.gz NTZRDZCKXDJQIT-AWEZNQCLSA-N 2 0 335.456 -0.382 20 0 EBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])c1 ZINC000662699223 421097452 /nfs/dbraw/zinc/09/74/52/421097452.db2.gz YAPUCJYNYFFYJS-JKSUJKDBSA-N 2 0 348.447 -0.042 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CC[C@H]1F ZINC000662923822 421111052 /nfs/dbraw/zinc/11/10/52/421111052.db2.gz MEOLOGRACJTRFP-ZIAGYGMSSA-N 2 0 326.416 -0.029 20 0 EBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662938532 421112983 /nfs/dbraw/zinc/11/29/83/421112983.db2.gz WSUGVJCPMRXQCH-ZIAGYGMSSA-N 2 0 344.431 -0.811 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)[C@@H](C)C[NH2+]1 ZINC000662952085 421116319 /nfs/dbraw/zinc/11/63/19/421116319.db2.gz XESHSHMVWJCUCA-ILXRZTDVSA-N 2 0 340.468 -0.236 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000662973227 421118911 /nfs/dbraw/zinc/11/89/11/421118911.db2.gz QJAHRAXCTFOMQE-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CCO1 ZINC000662973230 421119705 /nfs/dbraw/zinc/11/97/05/421119705.db2.gz QJAHRAXCTFOMQE-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CCOc1ccc(N2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)nn1 ZINC000662326798 421083576 /nfs/dbraw/zinc/08/35/76/421083576.db2.gz CHASDEHPYMBNTK-UHFFFAOYSA-N 2 0 348.451 -0.181 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000664175047 421150388 /nfs/dbraw/zinc/15/03/88/421150388.db2.gz OAIXIMPUJVNDCK-GJZGRUSLSA-N 2 0 327.473 -0.670 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000664183224 421150883 /nfs/dbraw/zinc/15/08/83/421150883.db2.gz QFUSCDKLCISOHO-GDBMZVCRSA-N 2 0 340.468 -0.052 20 0 EBADRP CN(C)C(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@H+]2CC[C@H](C(=O)N(C)C)C2)C1 ZINC000664780711 421164028 /nfs/dbraw/zinc/16/40/28/421164028.db2.gz UMHVFBRFGVZKPV-QDMKHBRRSA-N 2 0 340.468 -0.833 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)n1 ZINC000341821743 421192285 /nfs/dbraw/zinc/19/22/85/421192285.db2.gz AZXKHANWRJROLO-QGZVFWFLSA-N 2 0 348.451 -0.063 20 0 EBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000354704645 421222021 /nfs/dbraw/zinc/22/20/21/421222021.db2.gz ICFVCZABAOYRHB-CYBMUJFWSA-N 2 0 328.376 0.464 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)n1 ZINC000454856260 421194967 /nfs/dbraw/zinc/19/49/67/421194967.db2.gz FJLOQVGZWHYLAQ-CQSZACIVSA-N 2 0 338.456 0.413 20 0 EBADRP C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000532608765 421206767 /nfs/dbraw/zinc/20/67/67/421206767.db2.gz ZNGOOCPOSVETEF-ZDUSSCGKSA-N 2 0 336.440 -0.159 20 0 EBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000446800773 421209829 /nfs/dbraw/zinc/20/98/29/421209829.db2.gz FFNVKZBSOWQLRW-JSGCOSHPSA-N 2 0 348.451 -0.018 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000419028026 264845175 /nfs/dbraw/zinc/84/51/75/264845175.db2.gz PRKYDZAYNWXUSR-SOUVJXGZSA-N 2 0 342.484 -0.179 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)Cc2ccccc2C1 ZINC000419372380 264861174 /nfs/dbraw/zinc/86/11/74/264861174.db2.gz KNUXOKPNZLAOHG-HNNXBMFYSA-N 2 0 330.432 -0.320 20 0 EBADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000419474156 264871899 /nfs/dbraw/zinc/87/18/99/264871899.db2.gz BUNJJIZEICJMGO-HUUCEWRRSA-N 2 0 340.468 -0.199 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CCCO1 ZINC000419729705 264885236 /nfs/dbraw/zinc/88/52/36/264885236.db2.gz IOVGXENWHFVDEZ-GJZGRUSLSA-N 2 0 338.452 -0.304 20 0 EBADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)NCC[NH3+])CC2)C[C@H](C)O1 ZINC000419832095 264890896 /nfs/dbraw/zinc/89/08/96/264890896.db2.gz IZMPBIAVGKKADW-OKILXGFUSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423377273 265001334 /nfs/dbraw/zinc/00/13/34/265001334.db2.gz FDLFAJYSXIJYNT-KBPBESRZSA-N 2 0 338.452 -0.352 20 0 EBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423380463 265001574 /nfs/dbraw/zinc/00/15/74/265001574.db2.gz DQZRSRUHFWBMOP-UONOGXRCSA-N 2 0 326.441 -0.495 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000423431778 265004442 /nfs/dbraw/zinc/00/44/42/265004442.db2.gz AXIPMNRKJGLLEK-CABCVRRESA-N 2 0 340.468 -0.105 20 0 EBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423500119 265008289 /nfs/dbraw/zinc/00/82/89/265008289.db2.gz IGUKFUDGLARWJY-OAHLLOKOSA-N 2 0 339.484 -0.709 20 0 EBADRP CN(CC[NH3+])C(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000423563433 265012958 /nfs/dbraw/zinc/01/29/58/265012958.db2.gz HWJSYNHPBVQJDD-SFHVURJKSA-N 2 0 348.447 -0.501 20 0 EBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000423611541 265017862 /nfs/dbraw/zinc/01/78/62/265017862.db2.gz SABNGCKEHHYORH-CQSZACIVSA-N 2 0 327.473 -0.851 20 0 EBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)C1 ZINC000423602320 265018289 /nfs/dbraw/zinc/01/82/89/265018289.db2.gz CXMVQNKOYXSVBA-CQSZACIVSA-N 2 0 327.473 -0.851 20 0 EBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000423608015 265018889 /nfs/dbraw/zinc/01/88/89/265018889.db2.gz NFRNGUFFFIGSFY-CQSZACIVSA-N 2 0 339.484 -0.709 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)[C@@H](C)C[NH2+]1 ZINC000423654884 265026865 /nfs/dbraw/zinc/02/68/65/265026865.db2.gz RJICCOPESSKILB-GJZGRUSLSA-N 2 0 341.500 -0.463 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000423665318 265030206 /nfs/dbraw/zinc/03/02/06/265030206.db2.gz HEYXSGOHTULZCS-QLFBSQMISA-N 2 0 340.468 -0.106 20 0 EBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000423693866 265033830 /nfs/dbraw/zinc/03/38/30/265033830.db2.gz AIRBOHDRGIFVPX-GJZGRUSLSA-N 2 0 339.484 -0.580 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000423716738 265035577 /nfs/dbraw/zinc/03/55/77/265035577.db2.gz IXYMQAUGMYSWLX-GFCCVEGCSA-N 2 0 335.408 -0.456 20 0 EBADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)[N@H+](C)C1 ZINC000423714814 265035980 /nfs/dbraw/zinc/03/59/80/265035980.db2.gz SXYLBDBHQIUGGV-STQMWFEESA-N 2 0 326.441 -0.626 20 0 EBADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)CNC(=O)C[NH3+] ZINC000423752811 265042274 /nfs/dbraw/zinc/04/22/74/265042274.db2.gz WRAZPVUFUNKJQF-UHFFFAOYSA-N 2 0 328.363 -0.070 20 0 EBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000424155197 265049752 /nfs/dbraw/zinc/04/97/52/265049752.db2.gz MLFJLYVGKQGBGD-JSGCOSHPSA-N 2 0 348.451 -0.054 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NCC3([NH+](C)C)CCC3)C[C@H]2[NH3+])cn1 ZINC000424535363 265073425 /nfs/dbraw/zinc/07/34/25/265073425.db2.gz ADSGOVYLFCJDMH-UONOGXRCSA-N 2 0 348.451 -0.726 20 0 EBADRP C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)C(=O)N1CCOCC1 ZINC000433114314 265186416 /nfs/dbraw/zinc/18/64/16/265186416.db2.gz HACFEFUZZDJPDM-CYBMUJFWSA-N 2 0 326.441 -0.447 20 0 EBADRP CN(C)S(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436051360 265235336 /nfs/dbraw/zinc/23/53/36/265235336.db2.gz ASEUXGSPRGQTBA-CYBMUJFWSA-N 2 0 334.486 -0.413 20 0 EBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000442592652 265325546 /nfs/dbraw/zinc/32/55/46/265325546.db2.gz GYYVINCZYRZSLC-MRXNPFEDSA-N 2 0 329.489 -0.376 20 0 EBADRP NC(=O)C[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC[C@H]1CC(N)=O ZINC000447346895 265374267 /nfs/dbraw/zinc/37/42/67/265374267.db2.gz ZTDOAOXPOALPDZ-FICVDOATSA-N 2 0 340.468 -0.193 20 0 EBADRP CC(C)([NH3+])CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000420077014 272818994 /nfs/dbraw/zinc/81/89/94/272818994.db2.gz MXZFXOMLUWQOPH-UHFFFAOYSA-N 2 0 326.441 -0.589 20 0 EBADRP CO[C@@H](C[NH3+])CC(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000262865823 277279104 /nfs/dbraw/zinc/27/91/04/277279104.db2.gz LVWYGUQRZUGVEX-HZPDHXFCSA-N 2 0 342.484 -0.396 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000331470357 279039382 /nfs/dbraw/zinc/03/93/82/279039382.db2.gz GMTGHODSPMCMLY-IGQOVBAYSA-N 2 0 338.452 -0.232 20 0 EBADRP C[C@@H]1[C@H](NC(=O)C(=O)N2CCC([NH+](C)CCO)CC2)CCC[N@@H+]1C ZINC000347797564 279119323 /nfs/dbraw/zinc/11/93/23/279119323.db2.gz ZAQWHHUXRLSVJG-UKRRQHHQSA-N 2 0 340.468 -0.500 20 0 EBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000331661730 279283500 /nfs/dbraw/zinc/28/35/00/279283500.db2.gz OWLOGTDFLQKGIC-STQMWFEESA-N 2 0 326.441 -0.230 20 0 EBADRP C[C@H](CNC(=O)N1CCO[C@H](C[NH+](C)C)C1)C[NH+]1CCN(C)CC1 ZINC000175774370 279331535 /nfs/dbraw/zinc/33/15/35/279331535.db2.gz UWEADQVIYLHPRK-HZPDHXFCSA-N 2 0 341.500 -0.158 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CCO1 ZINC000332368116 289196614 /nfs/dbraw/zinc/19/66/14/289196614.db2.gz XXEMWKFXNSZZIN-RBSFLKMASA-N 2 0 338.452 -0.672 20 0 EBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668328993 545659875 /nfs/dbraw/zinc/65/98/75/545659875.db2.gz LTHVOUUWHJEURZ-OAHLLOKOSA-N 2 0 340.468 -0.498 20 0 EBADRP COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000073439053 545725731 /nfs/dbraw/zinc/72/57/31/545725731.db2.gz GUTCYUMAFGAYDR-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCOc1ccc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC000091865960 545729920 /nfs/dbraw/zinc/72/99/20/545729920.db2.gz NMSPMBRZOFDJSA-HNNXBMFYSA-N 2 0 346.431 -0.230 20 0 EBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668672627 545733191 /nfs/dbraw/zinc/73/31/91/545733191.db2.gz VXQHCCIVKLVCDI-ZFWWWQNUSA-N 2 0 340.468 -0.500 20 0 EBADRP C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)[C@H](C)C[NH2+]1 ZINC000669486534 545879405 /nfs/dbraw/zinc/87/94/05/545879405.db2.gz UQAIMRSKWJJBFW-OAGGEKHMSA-N 2 0 339.484 -0.215 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000672166108 545962968 /nfs/dbraw/zinc/96/29/68/545962968.db2.gz SMLZZBFZWFKUME-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672009745 546078479 /nfs/dbraw/zinc/07/84/79/546078479.db2.gz RMPMCJQHTGCNKX-AWEZNQCLSA-N 2 0 342.484 -0.083 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640454 546115537 /nfs/dbraw/zinc/11/55/37/546115537.db2.gz IZZRQMCGALZSAD-CQSZACIVSA-N 2 0 339.484 -0.709 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCC[NH+](C)C2)CCCO1 ZINC000673427713 546139604 /nfs/dbraw/zinc/13/96/04/546139604.db2.gz KKFDOKMYSWGDQH-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676099678 546196684 /nfs/dbraw/zinc/19/66/84/546196684.db2.gz LCXJNGJPFUULNO-SWLSCSKDSA-N 2 0 348.451 -0.018 20 0 EBADRP C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676996583 546222119 /nfs/dbraw/zinc/22/21/19/546222119.db2.gz HJSVKKJBUORJPF-MRXNPFEDSA-N 2 0 346.391 -0.365 20 0 EBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3C[NH+]4CCN3CCC4)CC2)C1 ZINC000677891824 546239341 /nfs/dbraw/zinc/23/93/41/546239341.db2.gz SJHHQMWSSLTRGO-IRXDYDNUSA-N 2 0 335.496 -0.385 20 0 EBADRP CN1CCC2(CC[NH+]([C@@H]3CC(=O)N(CC[NH+](C)C)C3=O)CC2)C1=O ZINC000683617613 546352156 /nfs/dbraw/zinc/35/21/56/546352156.db2.gz AXLWJNUCZQFNIG-CYBMUJFWSA-N 2 0 336.436 -0.380 20 0 EBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])C2)CC1 ZINC000566009686 582549448 /nfs/dbraw/zinc/54/94/48/582549448.db2.gz GOSBLMKMBHPNLU-SOUVJXGZSA-N 2 0 339.484 -0.533 20 0 EBADRP Nc1cc[nH+]c(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000891567060 582558383 /nfs/dbraw/zinc/55/83/83/582558383.db2.gz VDUUVSVKONPNLN-HNNXBMFYSA-N 2 0 348.451 -0.131 20 0 EBADRP [NH3+]C[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000891565687 582558509 /nfs/dbraw/zinc/55/85/09/582558509.db2.gz RMWLMRNGBUXNJJ-CVEARBPZSA-N 2 0 339.484 -0.084 20 0 EBADRP O=C(NC[C@H]1CCCC[NH2+]1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891971829 582564568 /nfs/dbraw/zinc/56/45/68/582564568.db2.gz UOFMMXXVUMSSRR-RQJABVFESA-N 2 0 337.424 -0.295 20 0 EBADRP O=C(NC[C@@H]1CCC[NH2+]1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892000092 582565465 /nfs/dbraw/zinc/56/54/65/582565465.db2.gz PNJHKHLHPZUQBJ-HOTGVXAUSA-N 2 0 339.484 -0.166 20 0 EBADRP CC[NH2+]CCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000891995677 582565606 /nfs/dbraw/zinc/56/56/06/582565606.db2.gz QVFODWABMKNPLT-OAHLLOKOSA-N 2 0 327.473 -0.308 20 0 EBADRP O=C(N[C@@H]1CCC[NH2+]C1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892015901 582565956 /nfs/dbraw/zinc/56/59/56/582565956.db2.gz DBOOEDLCPBQLHM-HZPDHXFCSA-N 2 0 339.484 -0.166 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892017918 582566040 /nfs/dbraw/zinc/56/60/40/582566040.db2.gz HESCULVCIZSOBA-LPWJVIDDSA-N 2 0 325.413 -0.454 20 0 EBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000892170197 582568554 /nfs/dbraw/zinc/56/85/54/582568554.db2.gz PZZZNUDRYASTNU-ITGHMWBKSA-N 2 0 337.424 -0.310 20 0 EBADRP [NH3+][C@H]1C[C@H](CNC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC000892566634 582582565 /nfs/dbraw/zinc/58/25/65/582582565.db2.gz RJKIGYBHURCAHV-BZUAXINKSA-N 2 0 339.484 -0.181 20 0 EBADRP C[N@@H+]1C[C@@H]2CN(C(=O)NCCC[NH+]3CCC[C@H]3C(N)=O)C[C@]2(C)C1 ZINC000895968234 582655519 /nfs/dbraw/zinc/65/55/19/582655519.db2.gz KJJVMYLXWXYWCG-KEYYUXOJSA-N 2 0 337.468 -0.081 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[NH+](C)CCO)CC1=O ZINC000899733656 582755567 /nfs/dbraw/zinc/75/55/67/582755567.db2.gz HAAYTUMUJXCULO-GJZGRUSLSA-N 2 0 340.468 -0.641 20 0 EBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000900512876 582771033 /nfs/dbraw/zinc/77/10/33/582771033.db2.gz PKHLHCROHRBKHG-WOSRLPQWSA-N 2 0 326.441 -0.855 20 0 EBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900641023 582776310 /nfs/dbraw/zinc/77/63/10/582776310.db2.gz IBGFVTFIFUNNPW-YOEHRIQHSA-N 2 0 340.468 -0.500 20 0 EBADRP C[C@@H](CNC(=O)C[C@]1(O)CCC[N@H+](C)C1)C[NH+]1CCN(C)CC1 ZINC000900693409 582779276 /nfs/dbraw/zinc/77/92/76/582779276.db2.gz RPWHABJRXOJIMQ-DOTOQJQBSA-N 2 0 326.485 -0.167 20 0 EBADRP CCS(=O)(=O)NCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903508771 582809813 /nfs/dbraw/zinc/80/98/13/582809813.db2.gz UZCSSPNSKGKAML-GASCZTMLSA-N 2 0 330.498 -0.174 20 0 EBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903544734 582810697 /nfs/dbraw/zinc/81/06/97/582810697.db2.gz XDLVPPMMNGGJLZ-OLZOCXBDSA-N 2 0 333.454 -0.947 20 0 EBADRP C[C@@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@H]1CC[NH3+] ZINC000903557835 582811932 /nfs/dbraw/zinc/81/19/32/582811932.db2.gz SBMGACHGYKCUMT-HUUCEWRRSA-N 2 0 332.514 -0.130 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000903736269 582815948 /nfs/dbraw/zinc/81/59/48/582815948.db2.gz AYAYHPYDJHUHTH-ZDUSSCGKSA-N 3 0 327.473 -0.866 20 0 EBADRP O=C(N1CC[NH2+]CC1)N1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000903769550 582817895 /nfs/dbraw/zinc/81/78/95/582817895.db2.gz JAROTXSFRGJHCA-HNNXBMFYSA-N 2 0 325.457 -0.914 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CCO1 ZINC000903772975 582818699 /nfs/dbraw/zinc/81/86/99/582818699.db2.gz YZCYFWFEKZGDEH-KBPBESRZSA-N 2 0 340.468 -0.249 20 0 EBADRP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)C[C@H](O)CN2CCOCC2)cnn1C ZINC000903894907 582823305 /nfs/dbraw/zinc/82/33/05/582823305.db2.gz HIOFZVRVFULUSZ-RDJZCZTQSA-N 2 0 339.484 -0.529 20 0 EBADRP O=C(CN1C(=O)CCC1=O)N1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903903075 582823355 /nfs/dbraw/zinc/82/33/55/582823355.db2.gz FGTUGYCGRFCMQZ-GOOCMWNKSA-N 2 0 348.447 -0.190 20 0 EBADRP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)cnn1C ZINC000903905254 582823447 /nfs/dbraw/zinc/82/34/47/582823447.db2.gz BULFSCNQKQSTNN-RDJZCZTQSA-N 2 0 348.495 -0.258 20 0 EBADRP C[C@]12C[N@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C[C@@]1(C)C(=O)NC2=O ZINC000903934690 582823773 /nfs/dbraw/zinc/82/37/73/582823773.db2.gz ITNASPKYVRACKV-LYRGGWFBSA-N 2 0 332.408 -0.313 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000736766862 582954427 /nfs/dbraw/zinc/95/44/27/582954427.db2.gz GMGGIJJQDBFYNO-UHFFFAOYSA-N 2 0 332.412 -0.173 20 0 EBADRP C[C@H](Cn1ccnc1)NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000789751701 583538694 /nfs/dbraw/zinc/53/86/94/583538694.db2.gz DRMVECVAYAOSGS-HZSPNIEDSA-N 2 0 335.408 -0.633 20 0 EBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804057240 583639971 /nfs/dbraw/zinc/63/99/71/583639971.db2.gz OKLMLJDQISSELJ-ILXRZTDVSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)[NH+](C)C1CC1 ZINC000804058536 583640515 /nfs/dbraw/zinc/64/05/15/583640515.db2.gz FFFMXKXUKJOETK-SNPRPXQTSA-N 2 0 338.452 -0.435 20 0 EBADRP CC1(C)CN(C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)CC[N@@H+]1CCO ZINC000806737236 583654394 /nfs/dbraw/zinc/65/43/94/583654394.db2.gz RETFPHIYMPXWPX-CABCVRRESA-N 2 0 340.468 -0.052 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CCC1 ZINC000807026856 583656973 /nfs/dbraw/zinc/65/69/73/583656973.db2.gz FILZUADNJSIDKW-UONOGXRCSA-N 2 0 338.452 -0.434 20 0 EBADRP Cn1nncc1NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000810350274 583683454 /nfs/dbraw/zinc/68/34/54/583683454.db2.gz FHKLSZBIXQUNBR-UHFFFAOYSA-N 2 0 339.444 -0.514 20 0 EBADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC1=O ZINC000820848307 583781940 /nfs/dbraw/zinc/78/19/40/583781940.db2.gz QLNSMRUCDCTKCU-ZIAGYGMSSA-N 2 0 326.441 -0.767 20 0 EBADRP CN(CCOCCNC(=O)C[NH+]1CCCC1)C(=O)C[NH+]1CCCC1 ZINC000824594581 583847733 /nfs/dbraw/zinc/84/77/33/583847733.db2.gz HOBLVIGZEGPDIE-UHFFFAOYSA-N 2 0 340.468 -0.231 20 0 EBADRP COCC[N@H+](C)CCNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000825924732 583870992 /nfs/dbraw/zinc/87/09/92/583870992.db2.gz DXCAVLHMYZRMPW-ZDUSSCGKSA-N 2 0 329.445 -0.674 20 0 EBADRP CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000842165092 584058579 /nfs/dbraw/zinc/05/85/79/584058579.db2.gz RGVQHPVXDIHFRB-CHWSQXEVSA-N 2 0 326.441 -0.401 20 0 EBADRP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CCCCC1 ZINC000842164298 584058725 /nfs/dbraw/zinc/05/87/25/584058725.db2.gz IEZTXCBRLUGFBM-KBPBESRZSA-N 2 0 338.452 -0.256 20 0 EBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000842165549 584059038 /nfs/dbraw/zinc/05/90/38/584059038.db2.gz ZFTDBYWIKGKOCH-RDBSUJKOSA-N 2 0 326.441 -0.545 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CCSC1 ZINC000842190779 584060294 /nfs/dbraw/zinc/06/02/94/584060294.db2.gz IOAYJNYZSKWBNA-HZPDHXFCSA-N 2 0 340.493 -0.106 20 0 EBADRP O=C(CO[C@H]1CCC[NH2+]C1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000844186894 584091012 /nfs/dbraw/zinc/09/10/12/584091012.db2.gz ATWKDDLBEYJTHP-CVEARBPZSA-N 2 0 340.468 -0.722 20 0 EBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000845047563 584098996 /nfs/dbraw/zinc/09/89/96/584098996.db2.gz NJXRGMRVMPZHJQ-ZFWWWQNUSA-N 2 0 337.468 -0.116 20 0 EBADRP O=C(NCCC1CC[NH2+]CC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000846331259 584124690 /nfs/dbraw/zinc/12/46/90/584124690.db2.gz SIMHERDENDJTMR-LSDHHAIUSA-N 2 0 338.452 -0.528 20 0 EBADRP [NH2+]=C(NCCCN1CCOCC1)NC[C@H]1CCC[N@H+]1CCCO ZINC000849113513 584166090 /nfs/dbraw/zinc/16/60/90/584166090.db2.gz QDEYJRFPFBUICH-OAHLLOKOSA-N 2 0 327.473 -0.331 20 0 EBADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C2=NO[C@@H](C[NH3+])C2)cc1 ZINC000852866045 584217733 /nfs/dbraw/zinc/21/77/33/584217733.db2.gz CEUQEFFPILJGOH-CQSZACIVSA-N 2 0 347.419 -0.302 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)CCO1 ZINC000852921941 584221174 /nfs/dbraw/zinc/22/11/74/584221174.db2.gz OHHJPQIXFZWMPT-LSDHHAIUSA-N 2 0 340.468 -0.247 20 0 EBADRP CC(C)[C@@H]([NH3+])CNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861638869 584332270 /nfs/dbraw/zinc/33/22/70/584332270.db2.gz NGAGAGYUNGPCMX-MJBXVCDLSA-N 2 0 339.440 -0.064 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000863755561 584376571 /nfs/dbraw/zinc/37/65/71/584376571.db2.gz UEKZNEZZFTVYEH-DZGCQCFKSA-N 3 0 339.484 -0.581 20 0 EBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000863761479 584377131 /nfs/dbraw/zinc/37/71/31/584377131.db2.gz IVJIPJKTOPURRU-ZIAGYGMSSA-N 2 0 326.441 -0.637 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000863764971 584377457 /nfs/dbraw/zinc/37/74/57/584377457.db2.gz JTVCZXIYLZQHJU-ZDUSSCGKSA-N 2 0 328.457 -0.249 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000863769077 584377938 /nfs/dbraw/zinc/37/79/38/584377938.db2.gz IVJIPJKTOPURRU-KBPBESRZSA-N 2 0 326.441 -0.637 20 0 EBADRP NC(=O)Cc1cccc2c1CC[N@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000866684505 584403365 /nfs/dbraw/zinc/40/33/65/584403365.db2.gz NVUYRKPMGFNGDK-UHFFFAOYSA-N 2 0 330.432 -0.106 20 0 EBADRP C[NH+](C)C[C@H](CO)NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000868345681 584425148 /nfs/dbraw/zinc/42/51/48/584425148.db2.gz NTPZQWBBTIURNG-NEPJUHHUSA-N 2 0 332.445 -0.520 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[NH2+]CC2)C[C@H]1C[NH+](C)C ZINC000868388659 584427363 /nfs/dbraw/zinc/42/73/63/584427363.db2.gz YFNGVLQPQYLAHH-HUUCEWRRSA-N 3 0 339.484 -0.994 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868396318 584428172 /nfs/dbraw/zinc/42/81/72/584428172.db2.gz RPVLSGUICHEAOA-ZIAGYGMSSA-N 2 0 326.441 -0.767 20 0 EBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)CC[C@H]21 ZINC000868396995 584428209 /nfs/dbraw/zinc/42/82/09/584428209.db2.gz OVVNKDJAXUQUNX-IHETXDGRSA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870999815 584450803 /nfs/dbraw/zinc/45/08/03/584450803.db2.gz PYHGTNMDDNCGPN-LPWJVIDDSA-N 2 0 340.449 -0.525 20 0 EBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)CC[C@H]21 ZINC000872193307 584459737 /nfs/dbraw/zinc/45/97/37/584459737.db2.gz UMVVNDPSNCLQQY-OIPACUDHSA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)[C@]1(F)CC[NH2+]C1 ZINC000872263784 584460774 /nfs/dbraw/zinc/46/07/74/584460774.db2.gz FTOVMHAXUJFCHC-XUJVJEKNSA-N 2 0 326.372 -0.528 20 0 EBADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000875236172 584494999 /nfs/dbraw/zinc/49/49/99/584494999.db2.gz BCBIJUAYJGPEHE-RRFJBIMHSA-N 2 0 340.468 -0.006 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2C[C@H](C(N)=O)C2)C[C@H]1C[NH+](C)C ZINC000875820683 584506749 /nfs/dbraw/zinc/50/67/49/584506749.db2.gz WTFCDXIYWAOUEG-AAVRWANBSA-N 2 0 325.457 -0.369 20 0 EBADRP O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000876511777 584517635 /nfs/dbraw/zinc/51/76/35/584517635.db2.gz ALDPRXFAEZTENZ-BFHYXJOUSA-N 2 0 326.416 -0.396 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876752481 584521924 /nfs/dbraw/zinc/52/19/24/584521924.db2.gz REZFIAOUYZEQIP-DZGCQCFKSA-N 2 0 326.416 -0.299 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876748839 584521936 /nfs/dbraw/zinc/52/19/36/584521936.db2.gz HYBJRDJNAHRHPQ-IHRRRGAJSA-N 2 0 328.432 -0.007 20 0 EBADRP C[NH+](C)C[C@H](N)C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000876782221 584523506 /nfs/dbraw/zinc/52/35/06/584523506.db2.gz UZLKEKUJIPAMHX-KRWDZBQOSA-N 2 0 333.480 -0.061 20 0 EBADRP COC[C@]1(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C[NH2+]CCO1 ZINC000876775948 584523546 /nfs/dbraw/zinc/52/35/46/584523546.db2.gz HSYQSPZFXUUCCJ-HOCLYGCPSA-N 2 0 327.425 -0.828 20 0 EBADRP CN1CCC(CNC(=O)[C@@H](N)C[NH+](C)C)([NH+]2CCCCC2)CC1 ZINC000876785004 584523978 /nfs/dbraw/zinc/52/39/78/584523978.db2.gz NMRBKCKFPQBOCX-HNNXBMFYSA-N 2 0 325.501 -0.058 20 0 EBADRP COC[C@@]1(C(=O)N2CCC(OCCC[NH+](C)C)CC2)C[NH2+]CCO1 ZINC000876891930 584526233 /nfs/dbraw/zinc/52/62/33/584526233.db2.gz HKTXRAYBBGHHPP-QGZVFWFLSA-N 2 0 343.468 -0.049 20 0 EBADRP COC[C@]1(C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)C[NH2+]CCO1 ZINC000876917966 584526898 /nfs/dbraw/zinc/52/68/98/584526898.db2.gz CZQFJMLXKNLEAE-UXLLHSPISA-N 2 0 341.452 -0.264 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C[NH2+]C[C@H]2CCCO2)C[C@H]1C[NH+](C)C ZINC000877143564 584529270 /nfs/dbraw/zinc/52/92/70/584529270.db2.gz RWNYIINEWOGRDM-BZUAXINKSA-N 3 0 326.485 -0.047 20 0 EBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000877144499 584529492 /nfs/dbraw/zinc/52/94/92/584529492.db2.gz OEHYDXCCANAQQI-ANQUJSFKSA-N 3 0 326.485 -0.049 20 0 EBADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@]23COCCN2C(=O)COC3)CC1 ZINC000877731959 584534164 /nfs/dbraw/zinc/53/41/64/584534164.db2.gz DLQHJKDEVXWXGD-KRWDZBQOSA-N 2 0 341.452 -0.561 20 0 EBADRP O[C@@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@@H](O)[C@@H](O)C3)c2)C[C@@H]1O ZINC000879609752 584554880 /nfs/dbraw/zinc/55/48/80/584554880.db2.gz GAZRCUOMMJHBJA-BDXSIMOUSA-N 2 0 336.432 -0.458 20 0 EBADRP COCC[N@H+](C)C[C@H](O)CN1CCC([NH+]2CCN(C)CC2)CC1 ZINC000879595779 584554991 /nfs/dbraw/zinc/55/49/91/584554991.db2.gz DKWSVWDQUQFTTR-KRWDZBQOSA-N 2 0 328.501 -0.363 20 0 EBADRP CC(C)([NH3+])CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000884516667 584625328 /nfs/dbraw/zinc/62/53/28/584625328.db2.gz QNEVFXCDJREMGS-AWEZNQCLSA-N 2 0 340.468 -0.010 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884559896 584627206 /nfs/dbraw/zinc/62/72/06/584627206.db2.gz IGZWGJAUHNLTJD-KBUPBQIOSA-N 2 0 336.436 -0.681 20 0 EBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000884560144 584627225 /nfs/dbraw/zinc/62/72/25/584627225.db2.gz OILIPVQMGOISRT-ILXRZTDVSA-N 2 0 338.452 -0.434 20 0 EBADRP CCC1([NH3+])CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000884560133 584627282 /nfs/dbraw/zinc/62/72/82/584627282.db2.gz OAQAHPQHRGINOE-UONOGXRCSA-N 2 0 338.452 -0.304 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884562574 584627591 /nfs/dbraw/zinc/62/75/91/584627591.db2.gz DVOQGZMONILDGT-KRWDZBQOSA-N 2 0 340.468 -0.327 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000884597667 584628981 /nfs/dbraw/zinc/62/89/81/584628981.db2.gz GMEADNSERUFUSY-LSDHHAIUSA-N 2 0 339.484 -0.532 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884637659 584630697 /nfs/dbraw/zinc/63/06/97/584630697.db2.gz WPBBMNKKRNYGBU-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000884640152 584631038 /nfs/dbraw/zinc/63/10/38/584631038.db2.gz VIBSPMIZFVGHDM-KGLIPLIRSA-N 2 0 338.452 -0.304 20 0 EBADRP CC(C)([NH3+])CCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000884639672 584631107 /nfs/dbraw/zinc/63/11/07/584631107.db2.gz GKHKAVQQTXCCMD-UHFFFAOYSA-N 2 0 340.468 -0.009 20 0 EBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000884643170 584631440 /nfs/dbraw/zinc/63/14/40/584631440.db2.gz YVHZGCUOVNCOLV-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)[C@H]1CC[NH2+]C1 ZINC000884669704 584632462 /nfs/dbraw/zinc/63/24/62/584632462.db2.gz DOQLAANGJRNTBE-CABCVRRESA-N 2 0 339.484 -0.804 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000884669764 584632665 /nfs/dbraw/zinc/63/26/65/584632665.db2.gz GFNMAIXNSDWKQE-QLFBSQMISA-N 2 0 339.484 -0.676 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CCN1c1cc[nH+]cc1 ZINC000884674579 584633101 /nfs/dbraw/zinc/63/31/01/584633101.db2.gz ZTAJHDNMNGPYGZ-KGLIPLIRSA-N 2 0 331.420 -0.013 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)NCC[NH2+]C2CC2)CCN1c1cc[nH+]cc1 ZINC000884690309 584634322 /nfs/dbraw/zinc/63/43/22/584634322.db2.gz UQJBLNOYEJTZPN-ZDUSSCGKSA-N 2 0 331.420 -0.013 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000884721914 584635840 /nfs/dbraw/zinc/63/58/40/584635840.db2.gz ZDNPDUFPYNWLIJ-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885206918 584645832 /nfs/dbraw/zinc/64/58/32/584645832.db2.gz RSEPKURVCHWNJG-UHFFFAOYSA-N 2 0 327.473 -0.674 20 0 EBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000885291684 584647471 /nfs/dbraw/zinc/64/74/71/584647471.db2.gz NOYCUVCPLHCNPA-NWDGAFQWSA-N 2 0 332.395 -0.100 20 0 EBADRP CC[C@H](C)[C@H]([NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C(N)=O ZINC000887062969 584673828 /nfs/dbraw/zinc/67/38/28/584673828.db2.gz LEBFAUATTCQKPE-DZKIICNBSA-N 2 0 342.484 -0.051 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000419675918 650009432 /nfs/dbraw/zinc/00/94/32/650009432.db2.gz LBOOQQUARWUSOJ-INIZCTEOSA-N 2 0 326.441 -0.575 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000419538457 650009438 /nfs/dbraw/zinc/00/94/38/650009438.db2.gz OSFGVVNNOVDOPC-PBHICJAKSA-N 2 0 338.452 -0.432 20 0 EBADRP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000904986964 650055463 /nfs/dbraw/zinc/05/54/63/650055463.db2.gz MMOQNSVTHMVYLC-XGUBFFRZSA-N 2 0 336.436 -0.993 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000905021073 650060471 /nfs/dbraw/zinc/06/04/71/650060471.db2.gz DALUYZPMBZGQKB-KBPBESRZSA-N 2 0 326.441 -0.578 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000905021007 650060519 /nfs/dbraw/zinc/06/05/19/650060519.db2.gz CHWALGGZKCQMQH-CQSZACIVSA-N 2 0 326.441 -0.578 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000905021075 650060587 /nfs/dbraw/zinc/06/05/87/650060587.db2.gz DALUYZPMBZGQKB-UONOGXRCSA-N 2 0 326.441 -0.578 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000905023029 650061186 /nfs/dbraw/zinc/06/11/86/650061186.db2.gz SRFZMORHGRZVED-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]1C[C@]2(CC[C@H](C[NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)O2)CO1 ZINC000905483775 650063665 /nfs/dbraw/zinc/06/36/65/650063665.db2.gz GGWZKFKXNJYBFG-QBPKDAKJSA-N 2 0 327.469 -0.089 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H](O)Cc2ccccc2F)CC1 ZINC000905475180 650063713 /nfs/dbraw/zinc/06/37/13/650063713.db2.gz SJJLVCJRLYNADN-JKSUJKDBSA-N 2 0 325.428 -0.073 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CON(C(=O)OC(C)(C)C)C2)CC1 ZINC000905606340 650064079 /nfs/dbraw/zinc/06/40/79/650064079.db2.gz FEXZZSBIUBQEBN-UONOGXRCSA-N 2 0 344.456 -0.265 20 0 EBADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000906696211 650070197 /nfs/dbraw/zinc/07/01/97/650070197.db2.gz BHTLZNKGYMCCLY-UHFFFAOYSA-N 2 0 331.420 -0.016 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@]23CCC[C@H]2C[NH2+]C3)cn1 ZINC000906780003 650071863 /nfs/dbraw/zinc/07/18/63/650071863.db2.gz VHGHHMOUKZWFRW-LRDDRELGSA-N 2 0 334.424 -0.359 20 0 EBADRP CC(C)[NH+]1CCN(CCCC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000907390391 650082238 /nfs/dbraw/zinc/08/22/38/650082238.db2.gz YMGNKZVCIOQXCI-KRWDZBQOSA-N 2 0 326.485 -0.025 20 0 EBADRP COC(=O)[C@@H]1CN(C(=O)C2C[NH+](C3CCOCC3)C2)CC[N@H+](C)C1 ZINC000910412992 650110641 /nfs/dbraw/zinc/11/06/41/650110641.db2.gz CWTYNHRVKLHJHH-AWEZNQCLSA-N 2 0 339.436 -0.340 20 0 EBADRP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000910920881 650140169 /nfs/dbraw/zinc/14/01/69/650140169.db2.gz WQINCBPIOUNELZ-CABCVRRESA-N 2 0 338.452 -0.936 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000910990218 650144140 /nfs/dbraw/zinc/14/41/40/650144140.db2.gz ASSTYKGYIFTWLF-QLFBSQMISA-N 2 0 340.468 -0.297 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)C1 ZINC000910990295 650144366 /nfs/dbraw/zinc/14/43/66/650144366.db2.gz BJTBZTUHPHKJOL-KBPBESRZSA-N 2 0 340.468 -0.345 20 0 EBADRP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000911009097 650144553 /nfs/dbraw/zinc/14/45/53/650144553.db2.gz QJMYTAJECBMCSW-LNFKQOIKSA-N 2 0 336.358 -0.067 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C[C@H]1[NH3+] ZINC000911013052 650145193 /nfs/dbraw/zinc/14/51/93/650145193.db2.gz VXIVHWDFZYWKIF-RZFFKMDDSA-N 2 0 338.452 -0.714 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000911016514 650145762 /nfs/dbraw/zinc/14/57/62/650145762.db2.gz CQKYKBSBPWFACO-AWEZNQCLSA-N 2 0 326.441 -0.576 20 0 EBADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CC2)[C@H](C)C1 ZINC000911033333 650146732 /nfs/dbraw/zinc/14/67/32/650146732.db2.gz HWBLKFYOUWFUSC-ZIAGYGMSSA-N 2 0 340.468 -0.153 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)N1CC[NH2+]CCC12CCOCC2)C1CC1 ZINC000911054730 650147831 /nfs/dbraw/zinc/14/78/31/650147831.db2.gz XMYRDWPKEWAOLE-UHFFFAOYSA-N 2 0 338.452 -0.432 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000911066092 650148487 /nfs/dbraw/zinc/14/84/87/650148487.db2.gz GISJXYFIUHRBPY-HNNXBMFYSA-N 2 0 338.452 -0.434 20 0 EBADRP CC(C)[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC000911068063 650148607 /nfs/dbraw/zinc/14/86/07/650148607.db2.gz KATNBZYPJNYBEJ-RBSFLKMASA-N 2 0 339.484 -0.820 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000911066093 650148892 /nfs/dbraw/zinc/14/88/92/650148892.db2.gz GISJXYFIUHRBPY-OAHLLOKOSA-N 2 0 338.452 -0.434 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000911091662 650150638 /nfs/dbraw/zinc/15/06/38/650150638.db2.gz OJEXHUCFRVUTSE-PBHICJAKSA-N 2 0 340.468 -0.465 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)NCCN2CCC([NH3+])CC2)CCC1 ZINC000911112541 650152135 /nfs/dbraw/zinc/15/21/35/650152135.db2.gz DZSIGCYDVZTUTJ-UHFFFAOYSA-N 2 0 325.457 -0.874 20 0 EBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000911148441 650154098 /nfs/dbraw/zinc/15/40/98/650154098.db2.gz OILIPVQMGOISRT-KKUMJFAQSA-N 2 0 338.452 -0.434 20 0 EBADRP C[NH2+]CCN(C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(C)C ZINC000911147800 650154107 /nfs/dbraw/zinc/15/41/07/650154107.db2.gz JOCAAHGOTCOHFO-ZIAGYGMSSA-N 2 0 326.441 -0.578 20 0 EBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)C[N@@H+]1C1CC1 ZINC000911147287 650154413 /nfs/dbraw/zinc/15/44/13/650154413.db2.gz OZHFWLHMQNDDJT-CHWSQXEVSA-N 2 0 338.452 -0.306 20 0 EBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911149589 650154908 /nfs/dbraw/zinc/15/49/08/650154908.db2.gz YAWHPWMEPZXEBU-YJNKXOJESA-N 2 0 336.436 -0.966 20 0 EBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000911186380 650157752 /nfs/dbraw/zinc/15/77/52/650157752.db2.gz IOYQPKSDRXKPKV-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000911195149 650158311 /nfs/dbraw/zinc/15/83/11/650158311.db2.gz OSWMQQKOHMDVSD-NRXISQOPSA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@H](NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)C(C)(C)C[NH+](C)C ZINC000911196092 650158332 /nfs/dbraw/zinc/15/83/32/650158332.db2.gz AIXAHECELQXJIT-LRDDRELGSA-N 2 0 328.457 -0.609 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000911195022 650158524 /nfs/dbraw/zinc/15/85/24/650158524.db2.gz SCMSTBOMPOJVRA-TZMCWYRMSA-N 2 0 326.441 -0.591 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000911193051 650158529 /nfs/dbraw/zinc/15/85/29/650158529.db2.gz HJCVBBPNJSIHRH-AWEZNQCLSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])CCSC1 ZINC000911199071 650158785 /nfs/dbraw/zinc/15/87/85/650158785.db2.gz JUSQNYYIXYYRRM-UHOFOFEASA-N 2 0 340.493 -0.120 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC[C@@H]1C[NH3+] ZINC000911198120 650158954 /nfs/dbraw/zinc/15/89/54/650158954.db2.gz GAPAHKFJSRQUPA-XJKCOSOUSA-N 2 0 342.509 -0.017 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000911200008 650159024 /nfs/dbraw/zinc/15/90/24/650159024.db2.gz NWJBPBRMYQRFBT-CHWSQXEVSA-N 2 0 328.457 -0.474 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CCSC1 ZINC000911201607 650159066 /nfs/dbraw/zinc/15/90/66/650159066.db2.gz XEICPFJMRWZXKK-SWLSCSKDSA-N 2 0 328.482 -0.263 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000911206130 650159518 /nfs/dbraw/zinc/15/95/18/650159518.db2.gz PNVHUNVSZXGFBH-JSGCOSHPSA-N 2 0 326.441 -0.578 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000911218153 650160462 /nfs/dbraw/zinc/16/04/62/650160462.db2.gz IARFHDYPIKVNAB-INIZCTEOSA-N 2 0 348.447 -0.189 20 0 EBADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CCNCC[NH2+]CC1)C(C)C ZINC000911228356 650160944 /nfs/dbraw/zinc/16/09/44/650160944.db2.gz IFHVHOIGEDGDNL-UHFFFAOYSA-N 2 0 341.500 -0.367 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC000911231554 650161250 /nfs/dbraw/zinc/16/12/50/650161250.db2.gz OFJCODYXCGEOHF-YOEHRIQHSA-N 2 0 340.468 -0.199 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)C1 ZINC000911237453 650161928 /nfs/dbraw/zinc/16/19/28/650161928.db2.gz YAWQRSFEFKJFMF-MGPQQGTHSA-N 2 0 326.441 -0.733 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000911231150 650161498 /nfs/dbraw/zinc/16/14/98/650161498.db2.gz VFFVRIUGWDDTHP-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000911163841 650156020 /nfs/dbraw/zinc/15/60/20/650156020.db2.gz ZUWSFGICZRAIDP-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000911243711 650162942 /nfs/dbraw/zinc/16/29/42/650162942.db2.gz YVHZGCUOVNCOLV-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP O=C(NCCCN1CCOCC1)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000911247228 650163164 /nfs/dbraw/zinc/16/31/64/650163164.db2.gz NYCQVXLAAYAQQP-QGZVFWFLSA-N 2 0 338.452 -0.431 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000911258859 650163834 /nfs/dbraw/zinc/16/38/34/650163834.db2.gz SWJLVMTYKWNUIK-HNNXBMFYSA-N 2 0 338.452 -0.576 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000911258593 650163940 /nfs/dbraw/zinc/16/39/40/650163940.db2.gz ROUIUQGRQNPORE-MRXNPFEDSA-N 2 0 326.441 -0.575 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)C[NH+]1CCCC1 ZINC000911269494 650164296 /nfs/dbraw/zinc/16/42/96/650164296.db2.gz LAIUQCKVOOXEOE-AWEZNQCLSA-N 2 0 339.484 -0.626 20 0 EBADRP CN(C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C1(C[NH3+])CCOCC1 ZINC000911269074 650164534 /nfs/dbraw/zinc/16/45/34/650164534.db2.gz HYPAHGZXHPEHJI-ZIAGYGMSSA-N 2 0 338.452 -0.304 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)C[NH+](C)C ZINC000911278292 650165923 /nfs/dbraw/zinc/16/59/23/650165923.db2.gz ZHYWXTKECCXXQC-MGPQQGTHSA-N 2 0 328.457 -0.426 20 0 EBADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911299012 650167615 /nfs/dbraw/zinc/16/76/15/650167615.db2.gz QLDATBRXITUJFM-UONOGXRCSA-N 2 0 340.468 -0.322 20 0 EBADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911310865 650169806 /nfs/dbraw/zinc/16/98/06/650169806.db2.gz WMIBVUCWMVSVHW-ILXRZTDVSA-N 2 0 340.468 -0.322 20 0 EBADRP C[NH+](C)CC[C@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)c1cccnc1 ZINC000911312153 650169961 /nfs/dbraw/zinc/16/99/61/650169961.db2.gz VQSCOBIYYBTPKB-GJZGRUSLSA-N 2 0 349.435 -0.705 20 0 EBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000911312849 650170143 /nfs/dbraw/zinc/17/01/43/650170143.db2.gz NNMIUDFLIHIGEN-MRXNPFEDSA-N 2 0 328.457 -0.607 20 0 EBADRP [NH3+]CC1(CCNC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000911321812 650170424 /nfs/dbraw/zinc/17/04/24/650170424.db2.gz HNWZBHMJXWEFRL-KGLIPLIRSA-N 2 0 338.452 -0.711 20 0 EBADRP [NH3+]CCCCCCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911313710 650170725 /nfs/dbraw/zinc/17/07/25/650170725.db2.gz TVOBPCVEBXTUAJ-HUUCEWRRSA-N 2 0 340.468 -0.321 20 0 EBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911335744 650171831 /nfs/dbraw/zinc/17/18/31/650171831.db2.gz DYCTZWAHESISRU-KFWWJZLASA-N 2 0 340.468 -0.466 20 0 EBADRP CC1([NH+]2CCC2)CCC(NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000911346600 650173526 /nfs/dbraw/zinc/17/35/26/650173526.db2.gz PHWVCWBPFGTDAR-UUCFBXCCSA-N 2 0 338.452 -0.386 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000911357813 650174210 /nfs/dbraw/zinc/17/42/10/650174210.db2.gz JBCZUWLSFZPSFG-XOYHFGRZSA-N 2 0 340.468 -0.188 20 0 EBADRP CC1([NH+]2CCC2)CCC(NC(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000911349423 650174289 /nfs/dbraw/zinc/17/42/89/650174289.db2.gz UWJGUGIEWAIJHS-UHFFFAOYSA-N 2 0 340.468 -0.009 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)C[NH+](C)C ZINC000911360795 650174940 /nfs/dbraw/zinc/17/49/40/650174940.db2.gz ZWONYTASNGWYLN-IHRRRGAJSA-N 2 0 328.457 -0.297 20 0 EBADRP CC(C)([NH3+])CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911367433 650175805 /nfs/dbraw/zinc/17/58/05/650175805.db2.gz ZFGVRNUGOBMBJX-CHWSQXEVSA-N 2 0 326.441 -0.712 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000911373328 650176044 /nfs/dbraw/zinc/17/60/44/650176044.db2.gz DHYWXRQKKUAKEF-UKRRQHHQSA-N 2 0 338.452 -0.719 20 0 EBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911410976 650179369 /nfs/dbraw/zinc/17/93/69/650179369.db2.gz IOAZDCLHQPTJBY-CQSZACIVSA-N 2 0 325.457 -0.922 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000911383928 650177422 /nfs/dbraw/zinc/17/74/22/650177422.db2.gz XPPBAAOYCYWAHH-ILXRZTDVSA-N 2 0 340.468 -0.473 20 0 EBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911414060 650180170 /nfs/dbraw/zinc/18/01/70/650180170.db2.gz XHKAASUKNYSYDR-OAHLLOKOSA-N 2 0 339.484 -0.485 20 0 EBADRP [NH3+]C1CCN(CCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000911413750 650180272 /nfs/dbraw/zinc/18/02/72/650180272.db2.gz IQTWZKZSWQSYHY-OAHLLOKOSA-N 2 0 337.468 -0.778 20 0 EBADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CC[C@H](C[NH3+])C1)c1cccnc1 ZINC000911417886 650181180 /nfs/dbraw/zinc/18/11/80/650181180.db2.gz CKNPXSPZEFPLJH-UKRRQHHQSA-N 2 0 333.436 -0.002 20 0 EBADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)c1cccnc1 ZINC000911417884 650181279 /nfs/dbraw/zinc/18/12/79/650181279.db2.gz CKNPXSPZEFPLJH-DZGCQCFKSA-N 2 0 333.436 -0.002 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)C[NH+](C)C ZINC000911435423 650183451 /nfs/dbraw/zinc/18/34/51/650183451.db2.gz MOGMBMWEFKXBOR-IXXDHKBRSA-N 2 0 340.468 -0.189 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C(C)C)C1)C[NH+](C)C ZINC000911435815 650183903 /nfs/dbraw/zinc/18/39/03/650183903.db2.gz PKPSNYBYPQVLOH-ZIAGYGMSSA-N 2 0 328.457 -0.474 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2)C[NH+](C)C ZINC000911437091 650183951 /nfs/dbraw/zinc/18/39/51/650183951.db2.gz XSOHJCPVTKVBLB-BBRMVZONSA-N 2 0 326.441 -0.576 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)C[C@H]1C[NH3+] ZINC000911531490 650191026 /nfs/dbraw/zinc/19/10/26/650191026.db2.gz HNTDSYCWYDFADO-ZIAGYGMSSA-N 2 0 340.468 -0.343 20 0 EBADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911549652 650192776 /nfs/dbraw/zinc/19/27/76/650192776.db2.gz NUSGKQSBQJTSPH-HZSPNIEDSA-N 2 0 326.441 -0.530 20 0 EBADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911551909 650193080 /nfs/dbraw/zinc/19/30/80/650193080.db2.gz TVLZANGFBIJCIG-KHMAMNHCSA-N 2 0 336.436 -0.947 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CCN1c1cc[nH+]cc1 ZINC000911562574 650193834 /nfs/dbraw/zinc/19/38/34/650193834.db2.gz DPRVOFUFLAYFRV-MGPQQGTHSA-N 2 0 331.420 -0.028 20 0 EBADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000911703274 650196070 /nfs/dbraw/zinc/19/60/70/650196070.db2.gz WJMIGGFTABPHPJ-YOEHRIQHSA-N 2 0 338.452 -0.839 20 0 EBADRP CC[NH2+]CCNC(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC000911750649 650196399 /nfs/dbraw/zinc/19/63/99/650196399.db2.gz NTXSFDHUHUGNKV-UHFFFAOYSA-N 2 0 331.214 -0.091 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)C[C@H]1C[NH+](C)C ZINC000913437136 650233681 /nfs/dbraw/zinc/23/36/81/650233681.db2.gz OVXVCVBVMGHACI-AIANPOQGSA-N 3 0 326.485 -0.361 20 0 EBADRP O=C(N1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2)C12CC[NH+](CC1)C2 ZINC000913674294 650242737 /nfs/dbraw/zinc/24/27/37/650242737.db2.gz LFAUEUVWVLFFRQ-GJZGRUSLSA-N 2 0 344.459 -0.010 20 0 EBADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)CNC(C[NH3+])C[NH3+])CC2)cc1 ZINC000923353863 650338419 /nfs/dbraw/zinc/33/84/19/650338419.db2.gz DDLJFCFEUZGVNG-UHFFFAOYSA-N 3 0 333.480 -0.095 20 0 EBADRP COCCCS(=O)(=O)NCC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923450306 650341003 /nfs/dbraw/zinc/34/10/03/650341003.db2.gz UUHKSEZATXRNAG-CQSZACIVSA-N 2 0 349.497 -0.228 20 0 EBADRP C[NH+](C)[C@@H](CNS(=O)(=O)N1CC[NH2+]CC1)Cc1ccccc1 ZINC000923579720 650344650 /nfs/dbraw/zinc/34/46/50/650344650.db2.gz WDRVWXMGLGTZRQ-OAHLLOKOSA-N 2 0 326.466 -0.101 20 0 EBADRP C[NH+](C)CCNC(=O)c1cccc(CNS(=O)(=O)C2C[NH2+]C2)c1 ZINC000923602843 650346633 /nfs/dbraw/zinc/34/66/33/650346633.db2.gz FSTAANAKLLROQN-UHFFFAOYSA-N 2 0 340.449 -0.631 20 0 EBADRP C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923605531 650346732 /nfs/dbraw/zinc/34/67/32/650346732.db2.gz FNYHNAGLOOPNDT-UHFFFAOYSA-N 2 0 327.454 -0.405 20 0 EBADRP COC1CC[NH+](C(C)(C)CNS(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923608494 650347588 /nfs/dbraw/zinc/34/75/88/650347588.db2.gz NVIYDBZUEDUYAT-UHFFFAOYSA-N 2 0 334.486 -0.385 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(S(=O)(=O)C3C[NH2+]C3)CC2)C1 ZINC000923613648 650347705 /nfs/dbraw/zinc/34/77/05/650347705.db2.gz ZMBXAQUGRFSNGW-AWEZNQCLSA-N 2 0 346.497 -0.985 20 0 EBADRP C[NH+](C)C[C@@H]1NC(=O)N(Cc2ccnc(N3CC[NH+](C)CC3)c2)C1=O ZINC000924464409 650362755 /nfs/dbraw/zinc/36/27/55/650362755.db2.gz CZPMPFRPCMJNEW-AWEZNQCLSA-N 2 0 346.435 -0.185 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)N2CCO[C@@H](CN3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000925331339 650376486 /nfs/dbraw/zinc/37/64/86/650376486.db2.gz WMGYCBRLUXEIEE-PMPSAXMXSA-N 2 0 339.484 -0.263 20 0 EBADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000926318011 650385560 /nfs/dbraw/zinc/38/55/60/650385560.db2.gz XPJQCGJMSAHEET-UHFFFAOYSA-N 2 0 339.484 -0.659 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926333410 650386591 /nfs/dbraw/zinc/38/65/91/650386591.db2.gz JNOLWIDHHNLGDT-BBRMVZONSA-N 2 0 326.441 -0.759 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)[C@H](C)C1 ZINC000926348901 650388145 /nfs/dbraw/zinc/38/81/45/650388145.db2.gz WMDRGWQJURMAPQ-JKIFEVAISA-N 2 0 340.468 -0.513 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C[C@H]1[NH3+] ZINC000926375630 650389845 /nfs/dbraw/zinc/38/98/45/650389845.db2.gz RITFNVRASHBTHT-QLFBSQMISA-N 2 0 338.452 -0.637 20 0 EBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926371819 650389982 /nfs/dbraw/zinc/38/99/82/650389982.db2.gz NZTHJOZIMQXGPB-OAHLLOKOSA-N 2 0 326.441 -0.759 20 0 EBADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926385871 650390211 /nfs/dbraw/zinc/39/02/11/650390211.db2.gz AENNTKOMSWSJAN-VBQJREDUSA-N 2 0 336.436 -0.992 20 0 EBADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)[N@H+](C)C1 ZINC000926420912 650391948 /nfs/dbraw/zinc/39/19/48/650391948.db2.gz YVAVAONXBQPSLN-AJNGGQMLSA-N 2 0 340.468 -0.393 20 0 EBADRP CCO[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1)C[NH+](C)C ZINC000926843514 651496919 /nfs/dbraw/zinc/49/69/19/651496919.db2.gz FERGPQWTRRIICP-ZIAGYGMSSA-N 2 0 344.456 -0.301 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C[NH+](C)C ZINC000929568811 651554842 /nfs/dbraw/zinc/55/48/42/651554842.db2.gz QETOGRSFKSWGHG-ILXRZTDVSA-N 2 0 340.468 -0.188 20 0 EBADRP CN(CC[N@H+](C)C[C@H](O)C1(O)CCOCC1)C1CC[NH+](C)CC1 ZINC000930112718 651584264 /nfs/dbraw/zinc/58/42/64/651584264.db2.gz GTXXHUZJBMYPSO-INIZCTEOSA-N 2 0 329.485 -0.153 20 0 EBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000930149549 651586237 /nfs/dbraw/zinc/58/62/37/651586237.db2.gz STOMKBQLRGNYGX-AWEZNQCLSA-N 2 0 341.500 -0.605 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)C[NH+](C)C ZINC000930490990 651598344 /nfs/dbraw/zinc/59/83/44/651598344.db2.gz KAEQNJPXNVAJCA-YUELXQCFSA-N 2 0 340.468 -0.332 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000931583459 651635486 /nfs/dbraw/zinc/63/54/86/651635486.db2.gz KGNSDHNWBWBXOK-AWEZNQCLSA-N 2 0 340.468 -0.199 20 0 EBADRP OC(C[NH+]1CC[C@H](C2OCCO2)C1)C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000932002894 651660051 /nfs/dbraw/zinc/66/00/51/651660051.db2.gz KODJPHAGIAVRGK-KBPBESRZSA-N 2 0 342.436 -0.263 20 0 EBADRP CC(=O)N1CCO[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000932685483 651689451 /nfs/dbraw/zinc/68/94/51/651689451.db2.gz XRIUBXLISHMGEW-INIZCTEOSA-N 2 0 342.484 -0.034 20 0 EBADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)CC1 ZINC000933098520 651710675 /nfs/dbraw/zinc/71/06/75/651710675.db2.gz GIHUBTLQVRUHDU-HNNXBMFYSA-N 2 0 345.513 -0.763 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1)C1CC1 ZINC000946924907 653270713 /nfs/dbraw/zinc/27/07/13/653270713.db2.gz LGTZWTJPXNDLMZ-UONOGXRCSA-N 2 0 338.452 -0.842 20 0 EBADRP CC[C@H](C(=O)N1CCC(O)(C[NH2+][C@@H]2CCN(C)C2=O)CC1)[NH+](C)C ZINC000946924840 653270743 /nfs/dbraw/zinc/27/07/43/653270743.db2.gz KGCUGIVKYSUPNM-ZIAGYGMSSA-N 2 0 340.468 -0.500 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC000946925788 653272051 /nfs/dbraw/zinc/27/20/51/653272051.db2.gz UIUBYDZXGXNKRJ-ZIAGYGMSSA-N 2 0 338.452 -0.698 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(O)(C[NH2+][C@H]3CCNC3=O)CC2)C1 ZINC000946929086 653276584 /nfs/dbraw/zinc/27/65/84/653276584.db2.gz ZGVMSEGNPOSGHD-KGLIPLIRSA-N 2 0 338.452 -0.840 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCOC3(CCN(CC(N)=O)CC3)C2)CC[N@@H+]1C ZINC000949099145 653594715 /nfs/dbraw/zinc/59/47/15/653594715.db2.gz YRKNTHGIAYPDJT-ZIAGYGMSSA-N 2 0 338.452 -0.495 20 0 EBADRP O=C(NC[C@@H]1CCN1C(=O)C12CC[NH+](CC1)C2)C12CC[NH+](CC1)C2 ZINC000951237802 654429373 /nfs/dbraw/zinc/42/93/73/654429373.db2.gz FSKMQYQZFQSGRT-AWEZNQCLSA-N 2 0 332.448 -0.105 20 0 EBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000933851262 719439838 /nfs/dbraw/zinc/43/98/38/719439838.db2.gz AIXNCCXHCWKBAO-UONOGXRCSA-N 2 0 338.452 -0.888 20 0 EBADRP CC[N@H+](CCC(=O)NC)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000933869124 719442111 /nfs/dbraw/zinc/44/21/11/719442111.db2.gz NDIBISZGIGAQFK-OAHLLOKOSA-N 2 0 342.484 -0.083 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000954843492 719934503 /nfs/dbraw/zinc/93/45/03/719934503.db2.gz VEJJGPIRUUSQDR-HIFRSBDPSA-N 2 0 334.464 -0.051 20 0 EBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(C[NH3+])ncn1)CC2 ZINC001164752296 720951006 /nfs/dbraw/zinc/95/10/06/720951006.db2.gz XMMLOVOIYQRTPH-UHFFFAOYSA-N 2 0 345.407 -0.223 20 0 EBADRP Cn1cc(CC[N@@H+]2C[C@H](O)[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC000958373216 722353855 /nfs/dbraw/zinc/35/38/55/722353855.db2.gz DGGUDFSANVSYHR-SJORKVTESA-N 2 0 349.479 -0.287 20 0 EBADRP C[NH+](C)CCc1ccc(C(=O)NC[C@H]2C[N@H+](CCO)C[C@H]2O)cc1 ZINC000958400494 722360558 /nfs/dbraw/zinc/36/05/58/722360558.db2.gz VQNGXLCUTJIXQH-DLBZAZTESA-N 2 0 335.448 -0.195 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2C[N@H+](CCCF)C[C@@H]2O)cn1 ZINC000958466814 722371303 /nfs/dbraw/zinc/37/13/03/722371303.db2.gz BDWUPZGIOPKRBU-HIFRSBDPSA-N 2 0 341.431 -0.173 20 0 EBADRP Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958592159 722397338 /nfs/dbraw/zinc/39/73/38/722397338.db2.gz MGBNOWRUYCQPOL-GOEBONIOSA-N 2 0 347.463 -0.267 20 0 EBADRP Cc1ncoc1C[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958596027 722398720 /nfs/dbraw/zinc/39/87/20/722398720.db2.gz YBAZVGLGJQKNAQ-KGLIPLIRSA-N 2 0 334.420 -0.012 20 0 EBADRP Cc1cncn1CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000958752943 722426798 /nfs/dbraw/zinc/42/67/98/722426798.db2.gz UDDBTNSQESPDEI-KKUMJFAQSA-N 2 0 349.435 -0.684 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21)[C@@H]1C[NH+]2CCC1CC2 ZINC000959915151 722774741 /nfs/dbraw/zinc/77/47/41/722774741.db2.gz RNZFRPNELMHPGI-CBZIJGRNSA-N 2 0 346.475 -0.003 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21)[C@@H]1C[NH+]2CCC1CC2 ZINC000959919509 722775290 /nfs/dbraw/zinc/77/52/90/722775290.db2.gz IWBIKBFWDAZDRT-WCVJEAGWSA-N 2 0 347.463 -0.600 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC000960086336 722790656 /nfs/dbraw/zinc/79/06/56/722790656.db2.gz JJBWFIWFQAOFJX-MELADBBJSA-N 2 0 336.436 -0.144 20 0 EBADRP CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)[NH+](C)C ZINC001018999182 728770439 /nfs/dbraw/zinc/77/04/39/728770439.db2.gz IXPTVKYDPFDZCJ-BBRMVZONSA-N 2 0 338.452 -0.088 20 0 EBADRP C[NH+]1CC[C@H](C(=O)N2CCC3(CN(C(=O)[C@H]4CC[N@@H+](C)C4)C3)C2)C1 ZINC001019037767 728777734 /nfs/dbraw/zinc/77/77/34/728777734.db2.gz AYSJPFUWTGLCRL-GJZGRUSLSA-N 2 0 334.464 -0.049 20 0 EBADRP CC(C)(C(=O)N[C@@H]1[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21)[NH+]1CCCC1 ZINC000961454699 723021190 /nfs/dbraw/zinc/02/11/90/723021190.db2.gz BFDDTUHZASKTJZ-FICVDOATSA-N 2 0 349.479 -0.068 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCC4)C[C@H]32)CC[N@@H+]1C ZINC000961594339 723042370 /nfs/dbraw/zinc/04/23/70/723042370.db2.gz DZKISIAYYBGRKJ-NBFUAULTSA-N 2 0 334.464 -0.005 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H](O)Cn4cccn4)C[C@H]32)CC1 ZINC000961662172 723054048 /nfs/dbraw/zinc/05/40/48/723054048.db2.gz HCBBLRDSRNNJAW-NCOADZHNSA-N 2 0 347.463 -0.368 20 0 EBADRP CN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC2CC[NH+](C)CC2)C1=O ZINC000961957503 723131324 /nfs/dbraw/zinc/13/13/24/723131324.db2.gz OLLGZTOSCSUADM-QSJFSLAZSA-N 2 0 334.464 -0.005 20 0 EBADRP CC1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)CC1 ZINC000962123043 723176099 /nfs/dbraw/zinc/17/60/99/723176099.db2.gz SVPANRNMFSWVMN-HWWDLCQESA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000962300624 723221514 /nfs/dbraw/zinc/22/15/14/723221514.db2.gz UPJVXADXALULOB-VIKVFOODSA-N 2 0 346.431 -0.722 20 0 EBADRP O=C(NC1CC(C[NH2+][C@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC000962541231 723280102 /nfs/dbraw/zinc/28/01/02/723280102.db2.gz OHBOZUGIDWJBST-BPCQOVAHSA-N 2 0 334.420 -0.628 20 0 EBADRP CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1)[NH+](C)C ZINC000963474499 723431826 /nfs/dbraw/zinc/43/18/26/723431826.db2.gz WTGYFVYUCSPKOI-IJEWVQPXSA-N 2 0 340.468 -0.644 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1)C1CC1 ZINC000963488057 723433868 /nfs/dbraw/zinc/43/38/68/723433868.db2.gz ZCFBIEPVMLZKGY-YCPHGPKFSA-N 2 0 338.452 -0.890 20 0 EBADRP C[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCOCC3)C2)CC1 ZINC001019322663 728859100 /nfs/dbraw/zinc/85/91/00/728859100.db2.gz CRDUSVTZVGYKDW-HNNXBMFYSA-N 2 0 338.452 -0.623 20 0 EBADRP O=C(NC1CC2(C1)CC([NH2+]CCO)C2)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000964420702 724006398 /nfs/dbraw/zinc/00/63/98/724006398.db2.gz UQWGMYLJCVYUKZ-VOFHBIRMSA-N 2 0 335.448 -0.141 20 0 EBADRP O=C(NC1CC2(C1)CC([NH2+]CCO)C2)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000964420705 724006423 /nfs/dbraw/zinc/00/64/23/724006423.db2.gz UQWGMYLJCVYUKZ-WOAWNZISSA-N 2 0 335.448 -0.141 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1nnnn1C)C2 ZINC000965061410 724110796 /nfs/dbraw/zinc/11/07/96/724110796.db2.gz CFUWOAFLBSRXDK-LRYDMPLDSA-N 2 0 347.467 -0.075 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@H]([NH2+][C@H]3CCCNC3=O)C2)cn1 ZINC001019496965 728900860 /nfs/dbraw/zinc/90/08/60/728900860.db2.gz HUMBEKDFMBOPMO-GJZGRUSLSA-N 2 0 348.451 -0.473 20 0 EBADRP Cn1nncc1C[NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001019496602 728900954 /nfs/dbraw/zinc/90/09/54/728900954.db2.gz ZVCKXXCCYPHTLB-AWEZNQCLSA-N 2 0 346.439 -0.423 20 0 EBADRP C[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000968549554 725079944 /nfs/dbraw/zinc/07/99/44/725079944.db2.gz UAQOFMHZHMQJDX-CABCVRRESA-N 2 0 349.479 -0.066 20 0 EBADRP C[N@H+](CC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)C1CCC1 ZINC000968921833 725129002 /nfs/dbraw/zinc/12/90/02/725129002.db2.gz KVTNYIYJPBYQAT-CYBMUJFWSA-N 2 0 336.436 -0.190 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1)[NH+](C)C ZINC000969077375 725148595 /nfs/dbraw/zinc/14/85/95/725148595.db2.gz PILBDGXWYRHLMY-RRFJBIMHSA-N 2 0 340.468 -0.236 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC000969100131 725151590 /nfs/dbraw/zinc/15/15/90/725151590.db2.gz YDLCYILXPHVKMW-HUUCEWRRSA-N 2 0 338.452 -0.480 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1)[NH+](C)C ZINC000969535276 725189750 /nfs/dbraw/zinc/18/97/50/725189750.db2.gz QXIBYIFTMWAYFB-RQJABVFESA-N 2 0 326.441 -0.891 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H]([NH2+]CCn3cncn3)C2)cn1 ZINC000970231264 725265512 /nfs/dbraw/zinc/26/55/12/725265512.db2.gz MLLMZMSXEWMMNS-OAHLLOKOSA-N 2 0 346.439 -0.460 20 0 EBADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC000970745068 725323167 /nfs/dbraw/zinc/32/31/67/725323167.db2.gz IAOJDDLNARZDHP-GOEBONIOSA-N 2 0 347.463 -0.224 20 0 EBADRP C[N@H+](CCN1C(=O)CNC1=O)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000971201459 725353810 /nfs/dbraw/zinc/35/38/10/725353810.db2.gz OEFAACFBDISEGB-CHWSQXEVSA-N 2 0 337.424 -0.835 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC000971563275 725421827 /nfs/dbraw/zinc/42/18/27/725421827.db2.gz LRMWFQVMOQEPSR-RBSFLKMASA-N 2 0 337.468 -0.116 20 0 EBADRP C[NH+](C)C1(C(=O)N2CC[C@@H]([N@H+](C)[C@H]3CCC(=O)NC3=O)C2)CCC1 ZINC000971676852 725429933 /nfs/dbraw/zinc/42/99/33/725429933.db2.gz HURKROKAPBDSPP-OLZOCXBDSA-N 2 0 336.436 -0.191 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCN2CCNC2=O)C1)[NH+](C)C ZINC000972355163 725505356 /nfs/dbraw/zinc/50/53/56/725505356.db2.gz SGPSJVBDPFZVGZ-KGLIPLIRSA-N 2 0 325.457 -0.116 20 0 EBADRP Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CCO1 ZINC001051655314 735296117 /nfs/dbraw/zinc/29/61/17/735296117.db2.gz ZTMMRABZSXRGHT-CABCVRRESA-N 2 0 336.440 -0.528 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC000991714457 725566334 /nfs/dbraw/zinc/56/63/34/725566334.db2.gz YKQQFPHUDJHXHA-FLRRBRPGSA-N 2 0 348.447 -0.872 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)C1CC1 ZINC000991896455 725670534 /nfs/dbraw/zinc/67/05/34/725670534.db2.gz WBDAAFLJIKKQRF-CVEARBPZSA-N 2 0 334.464 -0.005 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC(NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000993565789 725904424 /nfs/dbraw/zinc/90/44/24/725904424.db2.gz ACZZZRWMSSYPGJ-HUUCEWRRSA-N 2 0 336.436 -0.728 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000993565777 725904554 /nfs/dbraw/zinc/90/45/54/725904554.db2.gz ACZZZRWMSSYPGJ-CABCVRRESA-N 2 0 336.436 -0.728 20 0 EBADRP O=C(N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1)C12CCC[NH+]1CCC2 ZINC001051697305 735332744 /nfs/dbraw/zinc/33/27/44/735332744.db2.gz BBKXXSQIPKGKOK-KGLIPLIRSA-N 2 0 336.436 -0.680 20 0 EBADRP Cn1cc(CN[C@@H]2CN(C(=O)[C@@H]3CN(C)CCO3)CC2(C)C)nn1 ZINC000995610394 726279878 /nfs/dbraw/zinc/27/98/78/726279878.db2.gz ZZIUOWDUVRUBTD-UONOGXRCSA-N 2 0 336.440 -0.528 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000995962489 726318501 /nfs/dbraw/zinc/31/85/01/726318501.db2.gz VOJLYQPFFAYLHD-ZDUSSCGKSA-N 2 0 340.468 -0.343 20 0 EBADRP CC1(C)CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@@H]1[NH2+]CC(N)=O ZINC000996069483 726329112 /nfs/dbraw/zinc/32/91/12/726329112.db2.gz JNNDXACGCYLMJC-UDRCLVEDSA-N 2 0 336.436 -0.839 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000976542850 726341927 /nfs/dbraw/zinc/34/19/27/726341927.db2.gz XWFYSTQKMRATNX-LVNYTYFRSA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC000976547222 726344187 /nfs/dbraw/zinc/34/41/87/726344187.db2.gz PKSAOSPIRFNXDR-JQOWZUPLSA-N 2 0 334.464 -0.149 20 0 EBADRP C[C@@H]([NH2+][C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC1(C)C)C(N)=O ZINC000996473682 726402231 /nfs/dbraw/zinc/40/22/31/726402231.db2.gz VWEYRIBKDFXTKB-OCCSQVGLSA-N 2 0 340.468 -0.202 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC000996993799 726434257 /nfs/dbraw/zinc/43/42/57/726434257.db2.gz FOQNKJBDORDDLV-GFCCVEGCSA-N 2 0 336.440 -0.327 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)nc1=O ZINC000997181967 726440294 /nfs/dbraw/zinc/44/02/94/726440294.db2.gz FAUHSEUSUATXCJ-LBPRGKRZSA-N 2 0 336.440 -0.469 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000997314420 726445956 /nfs/dbraw/zinc/44/59/56/726445956.db2.gz YBRWSCWODYVSJH-DZGCQCFKSA-N 2 0 338.452 -0.576 20 0 EBADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2nnc3n2CCOC3)C1 ZINC000998548434 726490469 /nfs/dbraw/zinc/49/04/69/726490469.db2.gz IHERKNJSOBYASX-RUXDESIVSA-N 2 0 348.451 -0.019 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC000998731982 726496246 /nfs/dbraw/zinc/49/62/46/726496246.db2.gz PWQSBBSYDFAZQB-UONOGXRCSA-N 2 0 336.436 -0.190 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)nc1=O ZINC000999167545 726509500 /nfs/dbraw/zinc/50/95/00/726509500.db2.gz ARPWBIKSZNIWOF-KBPBESRZSA-N 2 0 348.451 -0.469 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1)C1CC1 ZINC000999363077 726516364 /nfs/dbraw/zinc/51/63/64/726516364.db2.gz BYYUPAPHPMVOCQ-HUUCEWRRSA-N 2 0 337.468 -0.068 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000999873038 726537238 /nfs/dbraw/zinc/53/72/38/726537238.db2.gz VLXPITHAPBILAD-BBRMVZONSA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(NCc1cn([C@@H]2CC[N@@H+](CCO)C2)nn1)[C@@H]1C[NH+]2CCC1CC2 ZINC000999986996 726547493 /nfs/dbraw/zinc/54/74/93/726547493.db2.gz MKNCEUNCJBSJAM-HZPDHXFCSA-N 2 0 348.451 -0.525 20 0 EBADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1)C(N)=O ZINC001000435629 726566923 /nfs/dbraw/zinc/56/69/23/726566923.db2.gz ZRUIFFNQIDHZLM-JSGCOSHPSA-N 2 0 336.440 -0.487 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CCC[C@H]([NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001000570933 726571319 /nfs/dbraw/zinc/57/13/19/726571319.db2.gz HLPGXDNCLPJCIG-ZFWWWQNUSA-N 2 0 338.452 -0.434 20 0 EBADRP CCN1CCO[C@H](C(=O)N2CCC[C@H](NCc3ncnn3C)C2)C1 ZINC001000969436 726585634 /nfs/dbraw/zinc/58/56/34/726585634.db2.gz LOGYXYNYOYUOBE-KBPBESRZSA-N 2 0 336.440 -0.384 20 0 EBADRP CCN1CCO[C@H](C(=O)N2CCC[C@@H](NCc3nncn3C)C2)C1 ZINC001000968465 726585693 /nfs/dbraw/zinc/58/56/93/726585693.db2.gz JSMQQCZBVHIZPI-KGLIPLIRSA-N 2 0 336.440 -0.384 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001002082996 726631962 /nfs/dbraw/zinc/63/19/62/726631962.db2.gz GSXJOTXRCQCHSH-JKSUJKDBSA-N 2 0 334.464 -0.003 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001003160433 726662524 /nfs/dbraw/zinc/66/25/24/726662524.db2.gz POOLDVBSFZLZBF-KGLIPLIRSA-N 2 0 336.436 -0.144 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001003330259 726669835 /nfs/dbraw/zinc/66/98/35/726669835.db2.gz ASDREWVPUWIGDO-AWEZNQCLSA-N 2 0 334.464 -0.001 20 0 EBADRP O=C(NC1CC[NH+](C[C@@H](O)Cn2cccn2)CC1)C12CC[NH+](CC1)C2 ZINC001003983064 726696669 /nfs/dbraw/zinc/69/66/69/726696669.db2.gz HAEAEUSYYPVNOW-MRXNPFEDSA-N 2 0 347.463 -0.080 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)C1 ZINC001004149084 726701564 /nfs/dbraw/zinc/70/15/64/726701564.db2.gz DREFRJGELZMANP-GOEBONIOSA-N 2 0 335.452 -0.224 20 0 EBADRP CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC001004177778 726702221 /nfs/dbraw/zinc/70/22/21/726702221.db2.gz ASOWKBDGICYTMW-KGLIPLIRSA-N 2 0 326.441 -0.448 20 0 EBADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCNC2=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001007351966 726792661 /nfs/dbraw/zinc/79/26/61/726792661.db2.gz XOWPMFQFYCQKIM-CVEARBPZSA-N 2 0 349.479 -0.066 20 0 EBADRP CN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CCO2)C1=O ZINC001051800688 735404188 /nfs/dbraw/zinc/40/41/88/735404188.db2.gz DUJGZIBWZBDFCI-LSDHHAIUSA-N 2 0 338.452 -0.624 20 0 EBADRP CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CCO2)C1=O ZINC001051800687 735404277 /nfs/dbraw/zinc/40/42/77/735404277.db2.gz DUJGZIBWZBDFCI-HUUCEWRRSA-N 2 0 338.452 -0.624 20 0 EBADRP CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001051904404 735455720 /nfs/dbraw/zinc/45/57/20/735455720.db2.gz LQAUUHHIOMCRRI-HNNXBMFYSA-N 2 0 348.451 -0.289 20 0 EBADRP COc1cncc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CCO2)n1 ZINC001051931534 735469282 /nfs/dbraw/zinc/46/92/82/735469282.db2.gz CJFAABPZLDQMSX-UKRRQHHQSA-N 2 0 349.435 -0.246 20 0 EBADRP CN1CCC[C@@H]([NH2+]C[C@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)C1=O ZINC001051931707 735469289 /nfs/dbraw/zinc/46/92/89/735469289.db2.gz CKNREZWJDBLCOA-LSDHHAIUSA-N 2 0 338.452 -0.480 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnns3)C2)C1 ZINC001051932426 735470559 /nfs/dbraw/zinc/47/05/59/735470559.db2.gz QCFAZBVEEMRZFF-RYUDHWBXSA-N 2 0 325.438 -0.193 20 0 EBADRP CCN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)C1=O ZINC001051935834 735473617 /nfs/dbraw/zinc/47/36/17/735473617.db2.gz YGRJRNDRMLUROE-LSDHHAIUSA-N 2 0 338.452 -0.480 20 0 EBADRP NC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001016741333 728500337 /nfs/dbraw/zinc/50/03/37/728500337.db2.gz VMKDAEJZFDVLOC-HPGRBHQUSA-N 2 0 348.447 -0.694 20 0 EBADRP C[NH+]1CCC(C(=O)N2CC[C@H](N3CC[NH+](CCCO)CC3)C2)CC1 ZINC001052072788 735533211 /nfs/dbraw/zinc/53/32/11/735533211.db2.gz CCUGDBVPTFYNEW-KRWDZBQOSA-N 2 0 338.496 -0.071 20 0 EBADRP C[C@@H](O)C[NH+]1CCN([C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001052074059 735533550 /nfs/dbraw/zinc/53/35/50/735533550.db2.gz SLWLYYWUUOTQQQ-NVXWUHKLSA-N 2 0 338.496 -0.073 20 0 EBADRP CN1CC[C@H]([NH2+][C@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)C2)C1=O ZINC001018861387 728696205 /nfs/dbraw/zinc/69/62/05/728696205.db2.gz RZLNIFIMAAVTAC-KBPBESRZSA-N 2 0 348.451 -0.521 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001019655715 728964627 /nfs/dbraw/zinc/96/46/27/728964627.db2.gz XJVYSJRHIOJXTD-OLZOCXBDSA-N 2 0 337.424 -0.930 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C2)nc1=O ZINC001020150640 729086336 /nfs/dbraw/zinc/08/63/36/729086336.db2.gz ZQQHTWARKLAFIE-AAVRWANBSA-N 2 0 348.451 -0.280 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC001020171074 729089687 /nfs/dbraw/zinc/08/96/87/729089687.db2.gz LUZCZQPTBFUSQR-KBUPBQIOSA-N 2 0 338.452 -0.578 20 0 EBADRP CCn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001020178809 729092406 /nfs/dbraw/zinc/09/24/06/729092406.db2.gz FRNILRSFFPONSL-ZQDZILKHSA-N 2 0 348.451 -0.102 20 0 EBADRP Cc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)[nH]1 ZINC001020179029 729092728 /nfs/dbraw/zinc/09/27/28/729092728.db2.gz LGLDWPJAOQPKGH-XDQVBPFNSA-N 2 0 334.424 -0.287 20 0 EBADRP CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)C1=O ZINC001020286540 729124214 /nfs/dbraw/zinc/12/42/14/729124214.db2.gz CBGQFKICOBOLPY-ARILJUKYSA-N 2 0 338.452 -0.437 20 0 EBADRP O=C(N[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)c1ccn2c[nH+]cc2c1 ZINC001020354708 729145094 /nfs/dbraw/zinc/14/50/94/729145094.db2.gz DRYLUUIMKQAPBO-OBJOEFQTSA-N 2 0 341.371 -0.010 20 0 EBADRP O=C(N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001020406279 729160130 /nfs/dbraw/zinc/16/01/30/729160130.db2.gz OZQRNBJXCHWRGH-DCUDBCFGSA-N 2 0 348.447 -0.635 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001020590355 729205998 /nfs/dbraw/zinc/20/59/98/729205998.db2.gz TYTMCWJXKGPKFA-AVGNSLFASA-N 2 0 337.424 -0.883 20 0 EBADRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001020679465 729217021 /nfs/dbraw/zinc/21/70/21/729217021.db2.gz RFRRYGSKTVBUIO-IHRRRGAJSA-N 2 0 336.436 -0.240 20 0 EBADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1)C(N)=O ZINC001020721087 729223306 /nfs/dbraw/zinc/22/33/06/729223306.db2.gz KAORFMGUCQZNKS-MGPQQGTHSA-N 2 0 336.440 -0.441 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCC3)C2)cn1 ZINC001020721522 729223323 /nfs/dbraw/zinc/22/33/23/729223323.db2.gz RADUJAUXHSEFIQ-SHTZXODSSA-N 2 0 348.451 -0.473 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001020928439 729257306 /nfs/dbraw/zinc/25/73/06/729257306.db2.gz DVHZULCGHBIWOQ-MGPQQGTHSA-N 2 0 336.436 -0.286 20 0 EBADRP O=C(N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001022089154 729453480 /nfs/dbraw/zinc/45/34/80/729453480.db2.gz FJPQGPKDRFWMER-QLFBSQMISA-N 2 0 335.452 -0.410 20 0 EBADRP O=C(C[NH2+][C@@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1)N1CCC1 ZINC001022121411 729457951 /nfs/dbraw/zinc/45/79/51/729457951.db2.gz BYCNGPRXJNXGAN-LJISPDSOSA-N 2 0 336.436 -0.681 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001022165304 729462548 /nfs/dbraw/zinc/46/25/48/729462548.db2.gz YVHFOTPEVFZPNV-XJFOESAGSA-N 2 0 336.436 -0.097 20 0 EBADRP O=C(N[C@@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1)C12CCC[NH+]1CCC2 ZINC001022363342 729485270 /nfs/dbraw/zinc/48/52/70/729485270.db2.gz NQRPIPHOSVCGRH-OKILXGFUSA-N 2 0 335.452 -0.123 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001022596970 729516401 /nfs/dbraw/zinc/51/64/01/729516401.db2.gz XPXDPTPWVKKKBK-ZDEQEGDKSA-N 2 0 336.440 -0.425 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001022712003 729524443 /nfs/dbraw/zinc/52/44/43/729524443.db2.gz ICOYLTYQYHWMPW-KFWWJZLASA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001022719176 729524725 /nfs/dbraw/zinc/52/47/25/729524725.db2.gz ITXIDKIKULIIBS-FQUUOJAGSA-N 2 0 348.451 -0.257 20 0 EBADRP Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cnn(CC[NH+](C)C)c3)C2)nn1 ZINC001022838074 729536691 /nfs/dbraw/zinc/53/66/91/729536691.db2.gz BSTJBZSNGYPUSQ-OKILXGFUSA-N 2 0 346.439 -0.376 20 0 EBADRP CC1CC[NH+](CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001022885770 729547658 /nfs/dbraw/zinc/54/76/58/729547658.db2.gz PAKOMGVLPQVOII-HZSPNIEDSA-N 2 0 336.436 -0.240 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001022975789 729567796 /nfs/dbraw/zinc/56/77/96/729567796.db2.gz URTJWZYYRMJWGJ-TUVASFSCSA-N 2 0 343.493 0.000 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001022984871 729571026 /nfs/dbraw/zinc/57/10/26/729571026.db2.gz UEROSPDQBCPAJB-LOWVWBTDSA-N 2 0 345.403 -0.197 20 0 EBADRP CNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023550834 729721607 /nfs/dbraw/zinc/72/16/07/729721607.db2.gz NTDMSAXQRFBHTQ-GJZGRUSLSA-N 2 0 340.468 -0.330 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CCN2CCNC2=O)C1 ZINC001024800407 729931100 /nfs/dbraw/zinc/93/11/00/729931100.db2.gz DWBSMHGIPCKHRZ-HUUCEWRRSA-N 2 0 337.468 -0.066 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025779058 730086755 /nfs/dbraw/zinc/08/67/55/730086755.db2.gz WPKRRJFHHJYSAS-AQRJEWBLSA-N 2 0 348.447 -0.289 20 0 EBADRP CN1CCC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1=O ZINC001025787512 730088450 /nfs/dbraw/zinc/08/84/50/730088450.db2.gz MXVOVZXVHBIOSX-NRKLIOEPSA-N 2 0 346.475 -0.005 20 0 EBADRP O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@@H]2CO1)N1CCC1 ZINC001025797857 730089879 /nfs/dbraw/zinc/08/98/79/730089879.db2.gz XROKGTSVQXJBLH-GAGVYUBLSA-N 2 0 348.447 -0.872 20 0 EBADRP O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@@H]2CO1)N1CCC1 ZINC001025797858 730089928 /nfs/dbraw/zinc/08/99/28/730089928.db2.gz XROKGTSVQXJBLH-KDEOKCCVSA-N 2 0 348.447 -0.872 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025809052 730094077 /nfs/dbraw/zinc/09/40/77/730094077.db2.gz VFZXXTOGQHCVQH-OJKRMQCYSA-N 2 0 348.447 -0.288 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](C[C@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001026043241 730117492 /nfs/dbraw/zinc/11/74/92/730117492.db2.gz FPJQYTLBRXKMKI-YXISZKLHSA-N 2 0 347.463 -0.368 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@H]3C2)n1 ZINC001026270118 730134851 /nfs/dbraw/zinc/13/48/51/730134851.db2.gz XKVHYLDPSUTDMO-IHRRRGAJSA-N 2 0 348.451 -0.630 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@@H]3C2)n1 ZINC001026270113 730134863 /nfs/dbraw/zinc/13/48/63/730134863.db2.gz XKVHYLDPSUTDMO-BFHYXJOUSA-N 2 0 348.451 -0.630 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CCO)[C@H]3C2)cn1 ZINC001026373838 730141246 /nfs/dbraw/zinc/14/12/46/730141246.db2.gz UQWNKOMHSGFYHQ-BPUTZDHNSA-N 2 0 335.452 -0.123 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@@H]3C2)CC1 ZINC001026387657 730142563 /nfs/dbraw/zinc/14/25/63/730142563.db2.gz CBNBRVRSFUQJRT-CFVMTHIKSA-N 2 0 338.452 -0.591 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)nc1=O ZINC001026464525 730145791 /nfs/dbraw/zinc/14/57/91/730145791.db2.gz KKIHHLRJANLSMI-BPCQOVAHSA-N 2 0 336.440 -0.280 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001026734528 730156663 /nfs/dbraw/zinc/15/66/63/730156663.db2.gz PGVSBALEJOCBPI-KGLIPLIRSA-N 2 0 348.451 -0.159 20 0 EBADRP O=C(N1CC[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1)C12CCC[NH+]1CCC2 ZINC001026939262 730173411 /nfs/dbraw/zinc/17/34/11/730173411.db2.gz CEPWCDJHYRUSLA-ZIAGYGMSSA-N 2 0 348.447 -0.142 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)nc1=O ZINC001027036350 730184721 /nfs/dbraw/zinc/18/47/21/730184721.db2.gz YBKTZFQQGNYOTE-GFCCVEGCSA-N 2 0 336.440 -0.612 20 0 EBADRP C[C@H](C(N)=O)[N@H+](C)[C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001027635784 730230596 /nfs/dbraw/zinc/23/05/96/730230596.db2.gz ZQWVRYAGXYJSCV-KGLIPLIRSA-N 2 0 340.468 -0.106 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+]2CCN2C(=O)CNC2=O)C1 ZINC001028314385 730283058 /nfs/dbraw/zinc/28/30/58/730283058.db2.gz TXQLWLSTVSBGIO-QWHCGFSZSA-N 2 0 337.424 -0.930 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)n1 ZINC001028547146 730312189 /nfs/dbraw/zinc/31/21/89/730312189.db2.gz MMZQTPPSVSRGPT-HIFRSBDPSA-N 2 0 348.451 -0.615 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001028758831 730352352 /nfs/dbraw/zinc/35/23/52/730352352.db2.gz XQPDIVKIPQRQOR-LSDHHAIUSA-N 2 0 340.468 -0.378 20 0 EBADRP O=C(NC[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001028931676 730372373 /nfs/dbraw/zinc/37/23/73/730372373.db2.gz VISUQKFMJNFWCD-ZDUSSCGKSA-N 2 0 349.435 -0.928 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+](CC(=O)N3CCOCC3)C2)C1 ZINC001028986121 730378415 /nfs/dbraw/zinc/37/84/15/730378415.db2.gz PDYSDTDSXXVNFN-HUUCEWRRSA-N 2 0 338.452 -0.765 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3[C@H]2CCC(=O)NC2=O)C1 ZINC001029553637 730410226 /nfs/dbraw/zinc/41/02/26/730410226.db2.gz XELOOJMEOIICGT-XQLPTFJDSA-N 2 0 348.447 -0.191 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3[C@H]2CCC(=O)NC2=O)C1 ZINC001029553636 730410272 /nfs/dbraw/zinc/41/02/72/730410272.db2.gz XELOOJMEOIICGT-KBXIAJHMSA-N 2 0 348.447 -0.191 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3[C@@H]2CCC(=O)NC2=O)C1 ZINC001029553635 730410295 /nfs/dbraw/zinc/41/02/95/730410295.db2.gz XELOOJMEOIICGT-BYNSBNAKSA-N 2 0 348.447 -0.191 20 0 EBADRP Cn1[nH]c(C[N@H+](C)C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nc1=O ZINC001029888962 730519855 /nfs/dbraw/zinc/51/98/55/730519855.db2.gz QURRRXRWHAILFU-CYBMUJFWSA-N 2 0 348.451 -0.516 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)[NH+](C)C ZINC001030019277 730536137 /nfs/dbraw/zinc/53/61/37/730536137.db2.gz CIVUTGVAFJOLNV-YDHLFZDLSA-N 2 0 338.452 -0.042 20 0 EBADRP O=C(NCC1C[NH+](C[C@@H](O)Cn2cccn2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001031672534 730749180 /nfs/dbraw/zinc/74/91/80/730749180.db2.gz JKZXSYYIQLEDMQ-IAGOWNOFSA-N 2 0 347.463 -0.366 20 0 EBADRP O=C(NCC1C[NH+](CCn2cncn2)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031688496 730750730 /nfs/dbraw/zinc/75/07/30/730750730.db2.gz GMGSERNIIJSDQE-HUUCEWRRSA-N 2 0 334.424 -0.811 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCN2CCNC2=O)C1 ZINC001031713634 730755991 /nfs/dbraw/zinc/75/59/91/730755991.db2.gz CYRFMEWGPMSAMG-HNNXBMFYSA-N 2 0 337.468 -0.066 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001031772485 730766470 /nfs/dbraw/zinc/76/64/70/730766470.db2.gz WDCJNEBFYLGQFM-HZPDHXFCSA-N 2 0 335.452 -0.224 20 0 EBADRP O=C(NCC1C[NH+](C[C@H]2CCOC2)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001031857453 730781143 /nfs/dbraw/zinc/78/11/43/730781143.db2.gz VNIDIBVLPRIILX-KDWRMLKXSA-N 2 0 335.448 -0.066 20 0 EBADRP C[C@@H]1CN(C(=O)CN2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)CCO1 ZINC001032186841 730823760 /nfs/dbraw/zinc/82/37/60/730823760.db2.gz XYHVCORLBYEIMF-HIFRSBDPSA-N 2 0 338.452 -0.767 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@H](O)CN2CCCC2=O)C1 ZINC001032834366 730942109 /nfs/dbraw/zinc/94/21/09/730942109.db2.gz DAAJLHXKKDDHHI-ILXRZTDVSA-N 2 0 338.452 -0.746 20 0 EBADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001032960288 730952338 /nfs/dbraw/zinc/95/23/38/730952338.db2.gz QORBFEZNZSIOAR-KGLIPLIRSA-N 2 0 336.436 -0.238 20 0 EBADRP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001033582012 731043773 /nfs/dbraw/zinc/04/37/73/731043773.db2.gz NCNVZGHGGSAHPK-GJZGRUSLSA-N 2 0 337.468 -0.114 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001034610485 731145449 /nfs/dbraw/zinc/14/54/49/731145449.db2.gz RCTSYXTUKJVFJM-AAVRWANBSA-N 2 0 336.436 -0.097 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001039760373 731523235 /nfs/dbraw/zinc/52/32/35/731523235.db2.gz LXSXSLSJQKPJPV-WMLDXEAASA-N 2 0 340.468 -0.642 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001039760893 731524889 /nfs/dbraw/zinc/52/48/89/731524889.db2.gz VFKUZNJHWINELI-PBHICJAKSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039787424 731535281 /nfs/dbraw/zinc/53/52/81/731535281.db2.gz NFRFBFOCPMKEKJ-WMLDXEAASA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001040146385 731622552 /nfs/dbraw/zinc/62/25/52/731622552.db2.gz FUUJBZBQFRMTLR-QGZVFWFLSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)C[NH+](CC)CC)C1)[NH+](C)C ZINC001040199431 731641059 /nfs/dbraw/zinc/64/10/59/731641059.db2.gz VXQPQIRXHWJYCC-PBHICJAKSA-N 2 0 342.484 -0.252 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001040358609 731711974 /nfs/dbraw/zinc/71/19/74/731711974.db2.gz IADFEWBIAGBYEA-WMLDXEAASA-N 2 0 342.484 -0.252 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001040447730 731737570 /nfs/dbraw/zinc/73/75/70/731737570.db2.gz SQVWOWPXQDEZDP-WMLDXEAASA-N 2 0 342.484 -0.252 20 0 EBADRP CC[C@H](C(=O)N1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1)[NH+](C)C ZINC001040718471 731845917 /nfs/dbraw/zinc/84/59/17/731845917.db2.gz LILJMHMSEQHDTM-PBHICJAKSA-N 2 0 342.484 -0.252 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001040796173 731877861 /nfs/dbraw/zinc/87/78/61/731877861.db2.gz UEWSZUDUUABHSF-BBRMVZONSA-N 2 0 326.441 -0.888 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040797135 731878407 /nfs/dbraw/zinc/87/84/07/731878407.db2.gz AXADDCXIRHTUHC-INIZCTEOSA-N 2 0 328.457 -0.641 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040797402 731878755 /nfs/dbraw/zinc/87/87/55/731878755.db2.gz FYYWNLXHAPEPRS-WMLDXEAASA-N 2 0 340.468 -0.498 20 0 EBADRP CC(C)[C@H](C(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001040797613 731879411 /nfs/dbraw/zinc/87/94/11/731879411.db2.gz KLBNJBURWWHJQO-NVXWUHKLSA-N 2 0 342.484 -0.396 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001040800784 731880802 /nfs/dbraw/zinc/88/08/02/731880802.db2.gz JZGZOXVYKQBOOD-CKEIUWERSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040902021 731911256 /nfs/dbraw/zinc/91/12/56/731911256.db2.gz OORIYMIFLOOHED-MRXNPFEDSA-N 2 0 328.457 -0.641 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040921415 731919924 /nfs/dbraw/zinc/91/99/24/731919924.db2.gz BILUAKKNZGYYPW-WMLDXEAASA-N 2 0 340.468 -0.498 20 0 EBADRP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1CC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001041489345 732139663 /nfs/dbraw/zinc/13/96/63/732139663.db2.gz UEFACJAJTPERAC-FYRJDAGRSA-N 2 0 335.448 -0.234 20 0 EBADRP CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC001042096792 732305765 /nfs/dbraw/zinc/30/57/65/732305765.db2.gz BNYFADLNZMTBNX-KGLIPLIRSA-N 2 0 340.468 -0.644 20 0 EBADRP CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC001042098893 732310685 /nfs/dbraw/zinc/31/06/85/732310685.db2.gz YAXPYLSPPPXYPM-QWHCGFSZSA-N 2 0 326.441 -0.890 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[NH+]3C)C2)CC[N@@H+]1C ZINC001042103735 732313848 /nfs/dbraw/zinc/31/38/48/732313848.db2.gz HQALTKSLDPECMW-MCIONIFRSA-N 2 0 338.452 -0.890 20 0 EBADRP CC[C@@H](C(=O)N1CCOC[C@H]1CNC(=O)C[NH+]1CCCC1)[NH+](C)C ZINC001061599931 738640392 /nfs/dbraw/zinc/64/03/92/738640392.db2.gz CGMQAPUXMRQNDS-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001043159839 732795512 /nfs/dbraw/zinc/79/55/12/732795512.db2.gz JPRYVHJMQXFHJU-OAHLLOKOSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)[NH+](C)C ZINC001043261099 732847323 /nfs/dbraw/zinc/84/73/23/732847323.db2.gz HGEPDGHKZSUJFB-MCIONIFRSA-N 2 0 340.468 -0.644 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2COCCN2C(=O)CC[NH+](C)C)CC[N@@H+]1C ZINC001061620649 738654253 /nfs/dbraw/zinc/65/42/53/738654253.db2.gz DVBHADALFBOWBW-QLFBSQMISA-N 2 0 340.468 -0.378 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001043430884 732935477 /nfs/dbraw/zinc/93/54/77/732935477.db2.gz NHNIASZRBMASSQ-CQSZACIVSA-N 2 0 340.468 -0.642 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001043430883 732935554 /nfs/dbraw/zinc/93/55/54/732935554.db2.gz NHNIASZRBMASSQ-AWEZNQCLSA-N 2 0 340.468 -0.642 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061651655 738672682 /nfs/dbraw/zinc/67/26/82/738672682.db2.gz UHXVKXQEQFTGTJ-CQSZACIVSA-N 2 0 328.457 -0.378 20 0 EBADRP CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1)[NH+](C)C ZINC001043679294 733056726 /nfs/dbraw/zinc/05/67/26/733056726.db2.gz YIJLQVNXNQVQEP-KGLIPLIRSA-N 2 0 342.484 -0.398 20 0 EBADRP CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)[NH+](C)C ZINC001043681015 733057457 /nfs/dbraw/zinc/05/74/57/733057457.db2.gz IAHRZKCMOIJZSX-KGLIPLIRSA-N 2 0 340.468 -0.500 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001061654759 738674090 /nfs/dbraw/zinc/67/40/90/738674090.db2.gz BRKWEGWVAKWCGT-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001043706973 733067876 /nfs/dbraw/zinc/06/78/76/733067876.db2.gz ATYNXJCONFNNHZ-UHFFFAOYSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001043769363 733104043 /nfs/dbraw/zinc/10/40/43/733104043.db2.gz HBCHTZJJNUVBKD-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[C@@H](C(=O)NCC1(O)CN(C(=O)C2CC[NH+](C)CC2)C1)[NH+](C)C ZINC001044043559 733259931 /nfs/dbraw/zinc/25/99/31/733259931.db2.gz CCHYIBWTBOXPNH-AWEZNQCLSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[C@@H](C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1)[NH+](C)C ZINC001044045196 733261237 /nfs/dbraw/zinc/26/12/37/733261237.db2.gz ZSKWDYJGTHOIFA-KGLIPLIRSA-N 2 0 340.468 -0.500 20 0 EBADRP CC[C@H](C(=O)N1CC(O)(CNC(=O)CCCC[NH+](C)C)C1)[NH+](C)C ZINC001044246544 733338287 /nfs/dbraw/zinc/33/82/87/733338287.db2.gz NNKZZCVYYGFNNO-CQSZACIVSA-N 2 0 342.484 -0.252 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1 ZINC001044298022 733364525 /nfs/dbraw/zinc/36/45/25/733364525.db2.gz GEWQCAQQPSEOPA-UHFFFAOYSA-N 2 0 328.457 -0.641 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001044299140 733366697 /nfs/dbraw/zinc/36/66/97/733366697.db2.gz WZZXEYJYBNGBRX-HNNXBMFYSA-N 2 0 342.484 -0.396 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@H]1COCCN1C(=O)CC[NH+](C)C)[NH+](C)C ZINC001061739696 738731295 /nfs/dbraw/zinc/73/12/95/738731295.db2.gz DBZIRJCFOPDYSC-GOEBONIOSA-N 2 0 342.484 -0.132 20 0 EBADRP O=C(N1CCC[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O)C12CC[NH+](CC1)C2 ZINC001045275308 733645036 /nfs/dbraw/zinc/64/50/36/733645036.db2.gz XKDVPHPCIIRBNS-QWHCGFSZSA-N 2 0 334.420 -0.532 20 0 EBADRP C[C@@H](C(=O)N(C)C)[NH+]1CCC(C)(NC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001045397805 733686746 /nfs/dbraw/zinc/68/67/46/733686746.db2.gz OWYREGXMSLWVQQ-KBPBESRZSA-N 2 0 340.468 -0.236 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045412827 733689467 /nfs/dbraw/zinc/68/94/67/733689467.db2.gz GVTRETONUMSEGX-UHFFFAOYSA-N 2 0 328.457 -0.641 20 0 EBADRP CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1)[NH+](C)C ZINC001045413422 733689921 /nfs/dbraw/zinc/68/99/21/733689921.db2.gz NYJIXUIZLQECGV-HNNXBMFYSA-N 2 0 342.484 -0.396 20 0 EBADRP C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001045417601 733691357 /nfs/dbraw/zinc/69/13/57/733691357.db2.gz JQXLNUWSGNLKHR-UHFFFAOYSA-N 2 0 326.441 -0.887 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045716311 733758106 /nfs/dbraw/zinc/75/81/06/733758106.db2.gz DEXWUPNBMACHKO-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N2CCN([C@H]3CC[NH+](CCO)C3)CC2)CC[N@@H+]1C ZINC001046054213 733833653 /nfs/dbraw/zinc/83/36/53/733833653.db2.gz JREXHJNNHQYLLA-ULQDDVLXSA-N 2 0 338.496 -0.073 20 0 EBADRP CC(C)[C@H](C(=O)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1)[NH+](C)C ZINC001046059628 733838391 /nfs/dbraw/zinc/83/83/91/733838391.db2.gz LLCUTXYBOVLNSO-HZPDHXFCSA-N 2 0 326.485 -0.217 20 0 EBADRP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001046075896 733850035 /nfs/dbraw/zinc/85/00/35/733850035.db2.gz HRWBALCZXQWNJD-LSDHHAIUSA-N 2 0 349.479 -0.826 20 0 EBADRP Cc1nc[nH]c1CC(=O)N1CCN([C@H]2CC[N@@H+](C[C@@H](C)O)C2)CC1 ZINC001046081820 733854090 /nfs/dbraw/zinc/85/40/90/733854090.db2.gz PFIXWLRCRBWDRZ-HIFRSBDPSA-N 2 0 335.452 -0.140 20 0 EBADRP C[C@@]1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@H+](CCN2CCNC2=O)C1 ZINC001046323154 733908434 /nfs/dbraw/zinc/90/84/34/733908434.db2.gz HYWLERVXELQTIL-CRAIPNDOSA-N 2 0 349.479 -0.066 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)CC[NH+](C)CC)C1 ZINC001046525585 733954298 /nfs/dbraw/zinc/95/42/98/733954298.db2.gz OILAUHMYOZSAEM-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001046676847 733998694 /nfs/dbraw/zinc/99/86/94/733998694.db2.gz MWSHHICXHNHINA-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001046684723 734003076 /nfs/dbraw/zinc/00/30/76/734003076.db2.gz LPBHKLCWRSMKKN-ZIAGYGMSSA-N 2 0 340.468 -0.785 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001061862034 738790926 /nfs/dbraw/zinc/79/09/26/738790926.db2.gz PCGLAOUGLUWWSX-KBPBESRZSA-N 2 0 326.441 -0.767 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCOC[C@@H]2CNC(=O)CC[NH+](C)C)C1 ZINC001061862656 738791505 /nfs/dbraw/zinc/79/15/05/738791505.db2.gz WMQQTAHMCBFXIV-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2COCCN2C(=O)CC[NH+](C)C)C1 ZINC001061907596 738810935 /nfs/dbraw/zinc/81/09/35/738810935.db2.gz KJWYWOIIJVRKHQ-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP CN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)C[C@H]3C2)C1=O ZINC001048823449 734525321 /nfs/dbraw/zinc/52/53/21/734525321.db2.gz DISPBLAHFAOIEO-VVLHAWIVSA-N 2 0 346.475 -0.051 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+]([C@H]4CCC(=O)NC4=O)C[C@@H]3C2)CC[N@@H+]1C ZINC001048829498 734528511 /nfs/dbraw/zinc/52/85/11/734528511.db2.gz PVQIZWLIAQASAY-QMIVOQANSA-N 2 0 348.447 -0.478 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1)C1CC1 ZINC001048863796 734543675 /nfs/dbraw/zinc/54/36/75/734543675.db2.gz LIOOUWHXPWONFS-HLPPOEQASA-N 2 0 348.447 -0.478 20 0 EBADRP CN(C(=O)C[NH+]1CCCC1)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001048873890 734549918 /nfs/dbraw/zinc/54/99/18/734549918.db2.gz OPZCJWNZZBFUFE-KBPBESRZSA-N 2 0 326.441 -0.936 20 0 EBADRP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001048943382 734579048 /nfs/dbraw/zinc/57/90/48/734579048.db2.gz BLXRGGWIVYLZDF-SYGRHNPNSA-N 2 0 335.448 -0.378 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+]([C@@H]4CCCNC4=O)C[C@@H]3C2)C1 ZINC001049059207 734630877 /nfs/dbraw/zinc/63/08/77/734630877.db2.gz NRIPFYUICNWBGC-LVQVYYBASA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@@H]2C1 ZINC001049215530 734687514 /nfs/dbraw/zinc/68/75/14/734687514.db2.gz YESJDFXFCZYMHC-GASCZTMLSA-N 2 0 348.447 -0.379 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@@H]2C1 ZINC001049216086 734688333 /nfs/dbraw/zinc/68/83/33/734688333.db2.gz SHSPMYRPWTXHSN-ZQDZILKHSA-N 2 0 338.452 -0.781 20 0 EBADRP CN(C(=O)CCC[NH+](C)C)[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001049348819 734713085 /nfs/dbraw/zinc/71/30/85/734713085.db2.gz APMSIHMIDREIST-GJZGRUSLSA-N 2 0 340.468 -0.546 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001050234496 734875935 /nfs/dbraw/zinc/87/59/35/734875935.db2.gz HGUGZBMPXJCAPR-KGLIPLIRSA-N 2 0 336.436 -0.284 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[NH+](CCN2CCNC2=O)CC3)C1 ZINC001050753869 734954444 /nfs/dbraw/zinc/95/44/44/734954444.db2.gz GWASULURSWNCSK-OAHLLOKOSA-N 2 0 349.479 -0.112 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](N3CC[NH+](CCCO)CC3)C2)C1 ZINC001052108733 735551441 /nfs/dbraw/zinc/55/14/41/735551441.db2.gz QCKMOZQETYMWHJ-DLBZAZTESA-N 2 0 338.496 -0.071 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](N3CC[NH+](CCCO)CC3)C2)C1 ZINC001052108736 735551510 /nfs/dbraw/zinc/55/15/10/735551510.db2.gz QCKMOZQETYMWHJ-SJORKVTESA-N 2 0 338.496 -0.071 20 0 EBADRP O=C(N[C@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1)C12CC[NH+](CC1)C2 ZINC001052871232 735708699 /nfs/dbraw/zinc/70/86/99/735708699.db2.gz FGOIKPCFXCJMMH-UONOGXRCSA-N 2 0 348.447 -0.142 20 0 EBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1CNC(=O)COCC[NH+](C)C ZINC001053352212 735844401 /nfs/dbraw/zinc/84/44/01/735844401.db2.gz XENFZSRPYSZYPI-GJZGRUSLSA-N 2 0 342.484 -0.273 20 0 EBADRP Cn1nccc1CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)CO2 ZINC001054008565 736148042 /nfs/dbraw/zinc/14/80/42/736148042.db2.gz YYECJTDUBINMMF-GJZGRUSLSA-N 2 0 347.463 -0.126 20 0 EBADRP C[NH+](C)CCC(=O)NC1CC[NH+](CCNC(=O)c2cn[nH]c2)CC1 ZINC001055530313 736370278 /nfs/dbraw/zinc/37/02/78/736370278.db2.gz DPYBSOUGQVHYEJ-UHFFFAOYSA-N 2 0 336.440 -0.328 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](CCNC(=O)c3ccn[nH]3)CC2)C1 ZINC001055528957 736370446 /nfs/dbraw/zinc/37/04/46/736370446.db2.gz LAOWHIQKQHJETD-ZDUSSCGKSA-N 2 0 348.451 -0.328 20 0 EBADRP CO[C@H](C)C(=O)NCC[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001055535183 736373151 /nfs/dbraw/zinc/37/31/51/736373151.db2.gz QPZKPFPPYUUZMP-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCC(NC(=O)C(F)F)CC2)C1 ZINC001055578187 736391677 /nfs/dbraw/zinc/39/16/77/736391677.db2.gz HIADGMGBSLGGCF-NSHDSACASA-N 2 0 332.395 -0.100 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCC(NC(=O)c3ccon3)CC2)C1 ZINC001055578425 736391666 /nfs/dbraw/zinc/39/16/66/736391666.db2.gz NJXHZEBOVFGKLM-ZDUSSCGKSA-N 2 0 349.435 -0.063 20 0 EBADRP CC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001055622323 736409451 /nfs/dbraw/zinc/40/94/51/736409451.db2.gz FDXUVIRIMCAVSF-INIZCTEOSA-N 2 0 340.468 -0.188 20 0 EBADRP COCC(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001055644817 736419011 /nfs/dbraw/zinc/41/90/11/736419011.db2.gz FVSUYUQKYUURTB-HIFRSBDPSA-N 2 0 340.468 -0.473 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001057210405 737081894 /nfs/dbraw/zinc/08/18/94/737081894.db2.gz IDTHBYKSGTUWIK-HUUCEWRRSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1CCC[NH+]1C ZINC001057212011 737083945 /nfs/dbraw/zinc/08/39/45/737083945.db2.gz HUKNQCYLJBRBIB-CQSZACIVSA-N 2 0 328.457 -0.641 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)C1 ZINC001057640765 737381485 /nfs/dbraw/zinc/38/14/85/737381485.db2.gz OTLYNVNQHDGJHL-OAHLLOKOSA-N 2 0 340.468 -0.639 20 0 EBADRP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001057661577 737398663 /nfs/dbraw/zinc/39/86/63/737398663.db2.gz XGMBCHFNUXRBQL-HNNXBMFYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)CC[NH+](C)C)CC[N@@H+]1C ZINC001057738665 737427442 /nfs/dbraw/zinc/42/74/42/737427442.db2.gz DXZDVHBFXTYWPN-ZIAGYGMSSA-N 2 0 328.457 -0.785 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(CCO)CCNC(=O)C[NH+]1CCC[C@@H]1C ZINC001057864127 737485334 /nfs/dbraw/zinc/48/53/34/737485334.db2.gz COAMIKDTKCBGAV-HNNXBMFYSA-N 2 0 342.484 -0.252 20 0 EBADRP C[N@H+](CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CCC1 ZINC001057903717 737522863 /nfs/dbraw/zinc/52/28/63/737522863.db2.gz UULWKYLYZUZPEM-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1 ZINC001057942317 737546317 /nfs/dbraw/zinc/54/63/17/737546317.db2.gz ANCXERUZDYRAMP-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H](CC)[NH+](C)C ZINC001057975370 737572757 /nfs/dbraw/zinc/57/27/57/737572757.db2.gz PTRFTYWEBIOAKY-OAHLLOKOSA-N 2 0 344.500 -0.004 20 0 EBADRP CC[C@H](C(=O)N(CCO)CCNC(=O)C1CC[NH+](C)CC1)[NH+](C)C ZINC001057975522 737573137 /nfs/dbraw/zinc/57/31/37/737573137.db2.gz VDOFWVCBYDAADU-OAHLLOKOSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1CCCC[NH+]1C ZINC001058038615 737601087 /nfs/dbraw/zinc/60/10/87/737601087.db2.gz BBGSAKWVXDPFDM-HNNXBMFYSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001058157545 737679736 /nfs/dbraw/zinc/67/97/36/737679736.db2.gz AQZQOHSMUSLEGN-OAHLLOKOSA-N 2 0 342.484 -0.393 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001058163234 737686398 /nfs/dbraw/zinc/68/63/98/737686398.db2.gz ANPGIFVGVNLRBK-UHFFFAOYSA-N 2 0 340.468 -0.639 20 0 EBADRP C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001058163622 737686982 /nfs/dbraw/zinc/68/69/82/737686982.db2.gz QQFDGIQORHZQGA-UHFFFAOYSA-N 2 0 340.468 -0.639 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001058255645 737737927 /nfs/dbraw/zinc/73/79/27/737737927.db2.gz XRAMXCYBGNSSAU-CQSZACIVSA-N 2 0 328.457 -0.641 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058712574 737963146 /nfs/dbraw/zinc/96/31/46/737963146.db2.gz YOOJSDLDLDYUJV-CQSZACIVSA-N 2 0 348.463 -0.445 20 0 EBADRP CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)C[NH+](C)C1CCC1 ZINC001058817991 738005434 /nfs/dbraw/zinc/00/54/34/738005434.db2.gz YYSRVHWNYDYECK-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001058845348 738025610 /nfs/dbraw/zinc/02/56/10/738025610.db2.gz LGYSDTFVDCUXOP-GJZGRUSLSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001058846769 738027555 /nfs/dbraw/zinc/02/75/55/738027555.db2.gz FJSCVXVXEPYERS-LSDHHAIUSA-N 2 0 340.468 -0.783 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001058847166 738028882 /nfs/dbraw/zinc/02/88/82/738028882.db2.gz NNDQSQLWKPQHIY-HNNXBMFYSA-N 2 0 342.484 -0.395 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001064977207 739455399 /nfs/dbraw/zinc/45/53/99/739455399.db2.gz CQTGYORVDAISAN-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001064978316 739456641 /nfs/dbraw/zinc/45/66/41/739456641.db2.gz QNIWATMBZAXFID-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001065169406 739574459 /nfs/dbraw/zinc/57/44/59/739574459.db2.gz LPEDRVVQOLZETK-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001065170275 739575717 /nfs/dbraw/zinc/57/57/17/739575717.db2.gz YIWFRVXZUXKTTN-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001065256326 739616184 /nfs/dbraw/zinc/61/61/84/739616184.db2.gz JSELJCKKAFPENI-GJZGRUSLSA-N 2 0 340.468 -0.378 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCO[C@H](CNC(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001065261440 739618640 /nfs/dbraw/zinc/61/86/40/739618640.db2.gz BBIAUNYSKXPOBF-ZBFHGGJFSA-N 2 0 342.484 -0.132 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCO1 ZINC001065318258 739650892 /nfs/dbraw/zinc/65/08/92/739650892.db2.gz QVXHLZBEARGUTQ-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[C@@H](C(=O)N1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1)[NH+](C)C ZINC001065373548 739680534 /nfs/dbraw/zinc/68/05/34/739680534.db2.gz GGVWJQNUSKPRRC-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001065535962 739748509 /nfs/dbraw/zinc/74/85/09/739748509.db2.gz SMGCYROPDCPTKS-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001065539492 739749795 /nfs/dbraw/zinc/74/97/95/739749795.db2.gz CFXRDRIXMWEWAM-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP C[NH+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)CO2 ZINC001068874638 740478034 /nfs/dbraw/zinc/47/80/34/740478034.db2.gz UPBFHOINWQTOIQ-UONOGXRCSA-N 2 0 338.452 -0.624 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001069015364 740524038 /nfs/dbraw/zinc/52/40/38/740524038.db2.gz QZHUSZKCSSTPMP-CYBMUJFWSA-N 2 0 326.441 -0.624 20 0 EBADRP O=C(N[C@@H]1CN(CCO)C[C@@H]1n1ccnn1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001069988127 740647116 /nfs/dbraw/zinc/64/71/16/740647116.db2.gz JBFHPYLVHFKVHD-PMPSAXMXSA-N 2 0 348.451 -0.514 20 0 EBADRP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001070078097 740686125 /nfs/dbraw/zinc/68/61/25/740686125.db2.gz VLDUCMWUQISEJS-MJBXVCDLSA-N 2 0 334.424 -0.904 20 0 EBADRP C[NH+](C)CCC(=O)NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001070239128 740765182 /nfs/dbraw/zinc/76/51/82/740765182.db2.gz WYEQXQGSJWVGLR-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070242736 740765764 /nfs/dbraw/zinc/76/57/64/740765764.db2.gz PAFNKUIEBNZMDK-PMPSAXMXSA-N 2 0 348.451 -0.514 20 0 EBADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001070265646 740773981 /nfs/dbraw/zinc/77/39/81/740773981.db2.gz RRPFLIZQMNPGFE-YUELXQCFSA-N 2 0 336.440 -0.658 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2[NH2+]CCO)c1 ZINC001070529523 740856589 /nfs/dbraw/zinc/85/65/89/740856589.db2.gz SYPHCDXBPCBIPP-GOEBONIOSA-N 2 0 335.452 -0.362 20 0 EBADRP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CC(N)=O ZINC001070660683 740913786 /nfs/dbraw/zinc/91/37/86/740913786.db2.gz MZNGNTXLLJDAPP-MGPQQGTHSA-N 2 0 348.451 -0.726 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001071016924 741040356 /nfs/dbraw/zinc/04/03/56/741040356.db2.gz XUIWHVFBOWRGKI-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1C ZINC001072433214 741398817 /nfs/dbraw/zinc/39/88/17/741398817.db2.gz SSJNKRHNUWTYCN-LSDHHAIUSA-N 2 0 342.484 -0.131 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001072433699 741399124 /nfs/dbraw/zinc/39/91/24/741399124.db2.gz ZSDDAWDBVRNCEZ-CABCVRRESA-N 2 0 342.484 -0.132 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC2(C1)CC[NH+](CCN1CCNC1=O)C2 ZINC001072981244 741533845 /nfs/dbraw/zinc/53/38/45/741533845.db2.gz BKURXPPYKNRLBC-LSDHHAIUSA-N 2 0 349.479 -0.256 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)N1CCC1)C2 ZINC001072983550 741534353 /nfs/dbraw/zinc/53/43/53/741534353.db2.gz ZQXMZLGDPIIGKW-HUUCEWRRSA-N 2 0 334.464 -0.049 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[NH+](CCN2C(=O)CCC2=O)C3)C1 ZINC001073425961 741611950 /nfs/dbraw/zinc/61/19/50/741611950.db2.gz MROUTVXLCWIFFY-CQSZACIVSA-N 2 0 348.447 -0.379 20 0 EBADRP COCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073740051 741728539 /nfs/dbraw/zinc/72/85/39/741728539.db2.gz BDQFFWQXSLOBRZ-HOTGVXAUSA-N 2 0 343.468 -0.051 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001074565044 741999945 /nfs/dbraw/zinc/99/99/45/741999945.db2.gz PEXJZEZHKHDCTD-RWMBFGLXSA-N 2 0 337.424 -0.789 20 0 EBADRP C[C@H]1[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001074811733 742111773 /nfs/dbraw/zinc/11/17/73/742111773.db2.gz CVMOZASCVHYPBJ-XUXIUFHCSA-N 2 0 336.436 -0.145 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001075106404 742181225 /nfs/dbraw/zinc/18/12/25/742181225.db2.gz BYUOTYIDSLZEKS-ZNMIVQPWSA-N 2 0 338.452 -0.624 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C[NH2+]Cc1nnnn1C ZINC001075355434 742217045 /nfs/dbraw/zinc/21/70/45/742217045.db2.gz KWGNHAFBVVFALR-ZIAGYGMSSA-N 2 0 347.467 -0.120 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001075619983 742262738 /nfs/dbraw/zinc/26/27/38/742262738.db2.gz VOECXTZVIZWRMB-MELADBBJSA-N 2 0 349.435 -0.835 20 0 EBADRP CC(C)=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418312 742964040 /nfs/dbraw/zinc/96/40/40/742964040.db2.gz NFBOIAPSRWLJDV-DSZOFWSKSA-N 2 0 335.448 -0.023 20 0 EBADRP C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001077494106 743016877 /nfs/dbraw/zinc/01/68/77/743016877.db2.gz AJEDESPSEIEINY-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001077618285 743121429 /nfs/dbraw/zinc/12/14/29/743121429.db2.gz FHVCETZNWOBNLK-IAGOWNOFSA-N 2 0 349.479 -0.051 20 0 EBADRP Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001077618504 743121661 /nfs/dbraw/zinc/12/16/61/743121661.db2.gz KWQMVVSSROAURH-HZPDHXFCSA-N 2 0 335.452 -0.534 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCC3CCOCC3)C[C@H]2O)C1 ZINC001078174819 743516254 /nfs/dbraw/zinc/51/62/54/743516254.db2.gz UCPGIOQEUGHBPO-ARFHVFGLSA-N 2 0 325.453 -0.084 20 0 EBADRP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)NC(=O)COCC[NH+](C)C ZINC001078472995 743665575 /nfs/dbraw/zinc/66/55/75/743665575.db2.gz NAGCSSGQDUGEOS-CABCVRRESA-N 2 0 342.484 -0.083 20 0 EBADRP CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C[NH+]3CCCC3)CCCO2)C1=O ZINC001078508744 743685284 /nfs/dbraw/zinc/68/52/84/743685284.db2.gz XESGQKXVEPPUKK-HUUCEWRRSA-N 2 0 338.452 -0.480 20 0 EBADRP C[N@H+](CCN1C(=O)CNC1=O)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000980391969 805880404 /nfs/dbraw/zinc/88/04/04/805880404.db2.gz UKQPVDVUVHQRAG-STQMWFEESA-N 2 0 337.424 -0.977 20 0 EBADRP C[N@H+](CCN1C(=O)CNC1=O)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000980391967 805880522 /nfs/dbraw/zinc/88/05/22/805880522.db2.gz UKQPVDVUVHQRAG-OLZOCXBDSA-N 2 0 337.424 -0.977 20 0 EBADRP C[C@@H]1C[C@H](C[NH2+]Cc2nnnn2C)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000980768573 806011975 /nfs/dbraw/zinc/01/19/75/806011975.db2.gz VVFHJTKYRYEAHC-CHWSQXEVSA-N 2 0 333.440 -0.368 20 0 EBADRP C[C@H]1C[C@H](C[NH2+]Cc2nnnn2C)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000980768575 806012889 /nfs/dbraw/zinc/01/28/89/806012889.db2.gz VVFHJTKYRYEAHC-QWHCGFSZSA-N 2 0 333.440 -0.368 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@]3(C)C[NH+]([C@@H]4CCNC4=O)C[C@]3(C)C2)C1 ZINC000982798312 806712448 /nfs/dbraw/zinc/71/24/48/806712448.db2.gz MYNNIAPNGIHEBL-IHETXDGRSA-N 2 0 334.464 -0.003 20 0 EBADRP C[NH+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000976869935 803923781 /nfs/dbraw/zinc/92/37/81/803923781.db2.gz SPOUWYYRYVKYDE-NMNMXBMNSA-N 2 0 334.464 -0.147 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@H]32)C1 ZINC000977200943 804210399 /nfs/dbraw/zinc/21/03/99/804210399.db2.gz APKQTMFBZZNOOU-KDEOKCCVSA-N 2 0 334.464 -0.005 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC000977919884 804564914 /nfs/dbraw/zinc/56/49/14/804564914.db2.gz KMLCJVFHGCDSKI-XQLPTFJDSA-N 2 0 335.452 -0.600 20 0 EBADRP C[C@H](C(N)=O)[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC000978174268 804705357 /nfs/dbraw/zinc/70/53/57/804705357.db2.gz FDQLDTQLGAAEFP-SYQHCUMBSA-N 2 0 348.451 -0.774 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)cn1 ZINC000978828910 804996445 /nfs/dbraw/zinc/99/64/45/804996445.db2.gz NNXOYCDMFPTTEV-PHZGNYQRSA-N 2 0 335.452 -0.265 20 0 EBADRP C[C@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC000978847720 805006774 /nfs/dbraw/zinc/00/67/74/805006774.db2.gz MFNHNYXHKBEGBG-QCEMKRCNSA-N 2 0 335.452 -0.267 20 0 EBADRP O=C(C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1)N1CCCC1 ZINC000978963436 805065524 /nfs/dbraw/zinc/06/55/24/805065524.db2.gz RTWCUWQFKQLAED-PHZGNYQRSA-N 2 0 346.475 -0.001 20 0 EBADRP CN1CC[C@@H]([N@H+]2C[C@@H]3[C@@H](CNC(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1=O ZINC000978983450 805071874 /nfs/dbraw/zinc/07/18/74/805071874.db2.gz HZKVERDZELVFOJ-APIJFGDWSA-N 2 0 332.448 -0.393 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCN4CCCC4=O)C[C@H]32)C1 ZINC000979090611 805130947 /nfs/dbraw/zinc/13/09/47/805130947.db2.gz VJELEOJPAGPRTR-FPCVCCKLSA-N 2 0 334.464 -0.146 20 0 EBADRP O=C(N[C@H]1C[C@H](C[NH2+]Cc2cnon2)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000983715296 807087002 /nfs/dbraw/zinc/08/70/02/807087002.db2.gz HQUVYDUXDDWPAK-JURCDPSOSA-N 2 0 335.408 -0.083 20 0 EBADRP C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)CN1C(=O)C[NH+]1CCCC1 ZINC000989800078 808598250 /nfs/dbraw/zinc/59/82/50/808598250.db2.gz PQFAMHAQOWGLKN-HUUCEWRRSA-N 2 0 338.452 -0.480 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CCN2C(=O)CCC2=O)CC1 ZINC000990244636 808711156 /nfs/dbraw/zinc/71/11/56/808711156.db2.gz OPEBXVMTSQZPOB-CQSZACIVSA-N 2 0 336.436 -0.190 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000990523052 808825133 /nfs/dbraw/zinc/82/51/33/808825133.db2.gz KQSLFBXQWYQINB-DZGCQCFKSA-N 2 0 338.452 -0.624 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)Cn2ccnc2)C[C@H]1O ZINC000991491352 809558005 /nfs/dbraw/zinc/55/80/05/809558005.db2.gz YFOQPUODXQCBID-UONOGXRCSA-N 2 0 335.408 -0.943 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001214335558 810239639 /nfs/dbraw/zinc/23/96/39/810239639.db2.gz BOKZSHVLTZBLPK-MGPQQGTHSA-N 2 0 346.497 -0.592 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001214597871 810264599 /nfs/dbraw/zinc/26/45/99/810264599.db2.gz QBEKCLSQKINCJN-UPJWGTAASA-N 2 0 339.440 -0.509 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(=O)(=O)CC)C1)[NH+](C)C ZINC001215571506 810336135 /nfs/dbraw/zinc/33/61/35/810336135.db2.gz OYWATEOHHRPTGT-MCIONIFRSA-N 2 0 348.513 -0.298 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC)C1 ZINC001215993685 810353767 /nfs/dbraw/zinc/35/37/67/810353767.db2.gz BLRUAEXLKLQUCJ-HUUCEWRRSA-N 2 0 342.484 -0.083 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001216851628 810395916 /nfs/dbraw/zinc/39/59/16/810395916.db2.gz CTJCSSHBNYGTBC-GDBMZVCRSA-N 2 0 342.484 -0.084 20 0 EBADRP CN(C)C(=O)[C@@H]([NH3+])Cc1ccc(O)c(O[C@@H]2CN3C[C@H]2[NH2+]CC3)c1 ZINC001218113082 810477722 /nfs/dbraw/zinc/47/77/22/810477722.db2.gz YFNASKOCWYDOCE-WOSRLPQWSA-N 2 0 334.420 -0.615 20 0 EBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218532671 810499482 /nfs/dbraw/zinc/49/94/82/810499482.db2.gz IEEYXZGNWWOYGO-HTQZYQBOSA-N 2 0 326.426 -0.327 20 0 EBADRP CCOC(=O)c1ccncc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218570973 810506071 /nfs/dbraw/zinc/50/60/71/810506071.db2.gz CMOBJIDSZHQZAT-ZDUSSCGKSA-N 2 0 335.408 -0.053 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC001218669551 810517383 /nfs/dbraw/zinc/51/73/83/810517383.db2.gz SMOXBVALDDUNLB-ZDUSSCGKSA-N 2 0 342.469 -0.827 20 0 EBADRP [NH3+][C@H](C(=O)Nc1cnn(CCN2CCOCC2)c1)C1CC[NH2+]CC1 ZINC001218669268 810518396 /nfs/dbraw/zinc/51/83/96/810518396.db2.gz OLLQPMWRMSOWAG-HNNXBMFYSA-N 2 0 336.440 -0.519 20 0 EBADRP Nc1cccnc1N(C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)C1CC[NH2+]CC1 ZINC001218695518 810520400 /nfs/dbraw/zinc/52/04/00/810520400.db2.gz YOGKKYAFCHDICL-FZKQIMNGSA-N 3 0 344.463 -0.052 20 0 EBADRP Nc1cn(C(=O)c2cnn3c2nccc3[C@H]2C[NH2+]CCO2)ccc1=[NH2+] ZINC001218694175 810520485 /nfs/dbraw/zinc/52/04/85/810520485.db2.gz SOUXZMLKCDNVHC-CQSZACIVSA-N 2 0 339.359 -0.058 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1cc([C@H]2CCC[NH2+]2)no1 ZINC001218710727 810522537 /nfs/dbraw/zinc/52/25/37/810522537.db2.gz HFMTXUHVAXEUFA-SECBINFHSA-N 2 0 331.398 -0.742 20 0 EBADRP Nc1cnc(N(CC(F)(F)F)C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)nc1 ZINC001218740957 810524977 /nfs/dbraw/zinc/52/49/77/810524977.db2.gz QRTLAEUKWSHEHJ-VIFPVBQESA-N 2 0 330.314 -0.237 20 0 EBADRP COc1nc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c(C)c(OC)n1 ZINC001218768271 810529118 /nfs/dbraw/zinc/52/91/18/810529118.db2.gz JHGWCXOPMGPGGI-NSHDSACASA-N 2 0 338.412 -0.509 20 0 EBADRP Nc1ncn(C(=O)C2([NH3+])CC2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218779450 810531154 /nfs/dbraw/zinc/53/11/54/810531154.db2.gz NJABMYOBJMOBRJ-DTWKUNHWSA-N 2 0 340.815 -0.879 20 0 EBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001218873623 810538417 /nfs/dbraw/zinc/53/84/17/810538417.db2.gz LZMZAVWLYOYXNE-HOTGVXAUSA-N 2 0 333.436 -0.714 20 0 EBADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001218879652 810538917 /nfs/dbraw/zinc/53/89/17/810538917.db2.gz FIHKJVXENPWDMU-SJKOYZFVSA-N 2 0 330.388 -0.199 20 0 EBADRP N[C@]1(C(=O)Nc2ccc(N3CC[NH+](CCO)CC3)cc2)CC[NH2+]C1 ZINC001218872898 810539049 /nfs/dbraw/zinc/53/90/49/810539049.db2.gz CINNRHOAOGYDCT-QGZVFWFLSA-N 2 0 333.436 -0.570 20 0 EBADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]CCC1=O ZINC001218881838 810540722 /nfs/dbraw/zinc/54/07/22/810540722.db2.gz HSOHBKGKXCQZCS-CYBMUJFWSA-N 2 0 330.388 -0.151 20 0 EBADRP CC[C@@H](C[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1)OC ZINC001218970203 810551244 /nfs/dbraw/zinc/55/12/44/810551244.db2.gz GMCGPKSWFKOCFP-HRCADAONSA-N 2 0 343.468 -0.099 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc2c(c1)[nH]c(=O)[nH]c2=O ZINC001218990280 810552888 /nfs/dbraw/zinc/55/28/88/810552888.db2.gz HCHXSUMYZQYNDW-LBPRGKRZSA-N 2 0 346.391 -0.270 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001219118499 810588207 /nfs/dbraw/zinc/58/82/07/810588207.db2.gz MUVXRIKYVDXIBE-QGZVFWFLSA-N 3 0 346.479 -0.215 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@@H]([NH3+])C(C)(C)O)NC(=O)[C@]21CC[NH2+]C1 ZINC001219498340 810722498 /nfs/dbraw/zinc/72/24/98/810722498.db2.gz WRZKCIHPGRCPQF-DYVFJYSZSA-N 2 0 348.403 -0.085 20 0 EBADRP NC(=O)NCCC[C@H]([NH3+])C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001219534452 810740596 /nfs/dbraw/zinc/74/05/96/810740596.db2.gz YIALMNAFUAKQFS-NRUUGDAUSA-N 2 0 333.392 -0.151 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001219542997 810743765 /nfs/dbraw/zinc/74/37/65/810743765.db2.gz ZTOXUOCACXWLHP-WWGRRREGSA-N 3 0 345.447 -0.177 20 0 EBADRP [NH3+][C@@H](Cc1c[nH]c2ncccc12)C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219620315 810774131 /nfs/dbraw/zinc/77/41/31/810774131.db2.gz ZRBJNVYISVLIKZ-HEHGZKQESA-N 2 0 335.383 -0.389 20 0 EBADRP [NH3+][C@@H](CCCCNC(=O)c1ccccn1)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219694177 810799976 /nfs/dbraw/zinc/79/99/76/810799976.db2.gz GEPWDOMYPISNAP-ZDUSSCGKSA-N 2 0 349.435 -0.850 20 0 EBADRP O=C(NCCC1(O)C[NH2+]C1)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001219696516 810799990 /nfs/dbraw/zinc/79/99/90/810799990.db2.gz JTCANALTZMCXPF-KBXCAEBGSA-N 2 0 330.432 -0.447 20 0 EBADRP [NH3+]C1(C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)CCC2(CC1)OCCO2 ZINC001219736696 810817068 /nfs/dbraw/zinc/81/70/68/810817068.db2.gz FNPXLFSIYHBFHP-LBPRGKRZSA-N 2 0 325.409 -0.504 20 0 EBADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219737199 810817215 /nfs/dbraw/zinc/81/72/15/810817215.db2.gz QLCKXBCJQUGUKX-CHWSQXEVSA-N 2 0 346.435 -0.976 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743442 810820318 /nfs/dbraw/zinc/82/03/18/810820318.db2.gz DRWIGPRWFFAELV-MGPQQGTHSA-N 2 0 339.436 -0.198 20 0 EBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1C[NH2+]Cc2ccnn2C1 ZINC001219746669 810821300 /nfs/dbraw/zinc/82/13/00/810821300.db2.gz LPWRVJWCHZJODO-NSHDSACASA-N 2 0 330.396 -0.996 20 0 EBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219766235 810831131 /nfs/dbraw/zinc/83/11/31/810831131.db2.gz OAUPYVLCKJIIOL-ILXRZTDVSA-N 2 0 325.457 -0.970 20 0 EBADRP [NH3+][C@@H](Cc1c[nH]c2ncccc12)C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219765145 810831693 /nfs/dbraw/zinc/83/16/93/810831693.db2.gz WABZVBYIPGGJLX-INWMFGNUSA-N 2 0 342.447 -0.157 20 0 EBADRP 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ZINC001219812001 810855957 /nfs/dbraw/zinc/85/59/57/810855957.db2.gz HKEKKIQUNSTFFV-KGLIPLIRSA-N 2 0 326.441 -0.890 20 0 EBADRP O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219816153 810860427 /nfs/dbraw/zinc/86/04/27/810860427.db2.gz BPAIIBDAZVERCV-KFWWJZLASA-N 2 0 349.456 -0.018 20 0 EBADRP Cn1cc(CC[N@H+]2C[C@@H](NC(=O)CC[C@@H]3CCC[NH+]3C)[C@@H](O)C2)cn1 ZINC001219829909 810866146 /nfs/dbraw/zinc/86/61/46/810866146.db2.gz IAIRAXNRGSEUJO-BBWFWOEESA-N 2 0 349.479 -0.002 20 0 EBADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1 ZINC001219833198 810868904 /nfs/dbraw/zinc/86/89/04/810868904.db2.gz ADNMIJBNJIECCN-RUCLQGLUSA-N 2 0 339.436 -0.735 20 0 EBADRP O=C(COC1CC[NH2+]CC1)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219836743 810870822 /nfs/dbraw/zinc/87/08/22/810870822.db2.gz DLDJCJCHFQCJCU-XJKSGUPXSA-N 2 0 327.425 -0.734 20 0 EBADRP [NH3+][C@H](C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)C1CCOCC1 ZINC001219837237 810871063 /nfs/dbraw/zinc/87/10/63/810871063.db2.gz IFFCKOIDQOIXTI-INWMFGNUSA-N 2 0 327.425 -0.748 20 0 EBADRP [NH3+]C1(CC(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CCOCC1 ZINC001219839192 810872197 /nfs/dbraw/zinc/87/21/97/810872197.db2.gz XXKDBVZKQDISKI-CJNGLKHVSA-N 2 0 327.425 -0.604 20 0 EBADRP [NH3+][C@@H](C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)C1CCC2(CC1)OCCO2 ZINC001219847754 810877935 /nfs/dbraw/zinc/87/79/35/810877935.db2.gz RQWUEMNVECLRPV-BYNSBNAKSA-N 2 0 339.436 -0.117 20 0 EBADRP [NH3+]C1(C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)CCC2(CC1)OCCO2 ZINC001219847513 810878105 /nfs/dbraw/zinc/87/81/05/810878105.db2.gz JMBODCRWPBQCBQ-RWMBFGLXSA-N 2 0 325.409 -0.363 20 0 EBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852122 810878800 /nfs/dbraw/zinc/87/88/00/810878800.db2.gz MNJRTYUZXBEVIG-BAYHKCFCSA-N 2 0 326.441 -0.783 20 0 EBADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001219852252 810879568 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KYDBPYMVFPGZEH-AWEZNQCLSA-N 2 0 337.420 -0.100 20 0 EBADRP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219916270 810907065 /nfs/dbraw/zinc/90/70/65/810907065.db2.gz PPHOMWZUYFVYTK-IHRRRGAJSA-N 3 0 327.473 -0.500 20 0 EBADRP CS(=O)(=O)N(C(=O)CNC1CC[NH2+]CC1)c1ccc(C[NH3+])cc1 ZINC001219938839 810916618 /nfs/dbraw/zinc/91/66/18/810916618.db2.gz GRPGKKXVLCXWMY-UHFFFAOYSA-N 2 0 340.449 -0.221 20 0 EBADRP CS(=O)(=O)N(C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1ccc(C[NH3+])cc1 ZINC001219939042 810917015 /nfs/dbraw/zinc/91/70/15/810917015.db2.gz PGFZIJONNDKJCK-ZDUSSCGKSA-N 3 0 338.433 -0.753 20 0 EBADRP Cc1cc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])[nH]n1 ZINC001219943311 810918636 /nfs/dbraw/zinc/91/86/36/810918636.db2.gz CJRAMRFEAJAQLX-KBPBESRZSA-N 2 0 336.440 -0.218 20 0 EBADRP C[NH+]1CCN(c2cccc(CNC(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)c2)CC1 ZINC001219959544 810925587 /nfs/dbraw/zinc/92/55/87/810925587.db2.gz YLXPPQBSCINUQO-QGZVFWFLSA-N 3 0 343.475 -0.136 20 0 EBADRP COC(=O)[C@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1ccc(OC)cc1 ZINC001219975372 810933657 /nfs/dbraw/zinc/93/36/57/810933657.db2.gz RFUVDQKBZFIJIT-ZIAGYGMSSA-N 2 0 333.388 -0.166 20 0 EBADRP COC(=O)C1(NC(=O)C[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)CC[NH2+]CC1 ZINC001219999227 810940303 /nfs/dbraw/zinc/94/03/03/810940303.db2.gz NOIIBBXPFZTETB-XJKSGUPXSA-N 2 0 339.436 -0.053 20 0 EBADRP COC(=O)[C@@H](NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C1CCOCC1 ZINC001220025573 810953325 /nfs/dbraw/zinc/95/33/25/810953325.db2.gz RVPSEGFVAVAKNW-KGLIPLIRSA-N 2 0 339.436 -0.055 20 0 EBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2 ZINC001220025027 810953498 /nfs/dbraw/zinc/95/34/98/810953498.db2.gz HGAWLLIVQDNDAD-RVBZMBCESA-N 2 0 339.465 -0.025 20 0 EBADRP COc1ncnc(OC)c1CNC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220045201 810958939 /nfs/dbraw/zinc/95/89/39/810958939.db2.gz PUOVNEGSEYCDRV-GFCCVEGCSA-N 2 0 335.408 -0.016 20 0 EBADRP Cn1ccnc1CCC(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O ZINC001220052068 810961972 /nfs/dbraw/zinc/96/19/72/810961972.db2.gz RADKYNYNCGWTPD-CABCVRRESA-N 2 0 346.435 -0.510 20 0 EBADRP COc1cc(CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)ccc1OC1COC1 ZINC001220191374 811010969 /nfs/dbraw/zinc/01/09/69/811010969.db2.gz FWIVFXAHUUIMDN-AWEZNQCLSA-N 2 0 347.415 -0.102 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001220200718 811013291 /nfs/dbraw/zinc/01/32/91/811013291.db2.gz SFABMTAEMUZNCC-INIZCTEOSA-N 3 0 341.500 -0.646 20 0 EBADRP COC(=O)[C@]1(NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)CC[N@H+](Cc2ccccc2)C1 ZINC001220228288 811026929 /nfs/dbraw/zinc/02/69/29/811026929.db2.gz HJEHTCKVPWNEKI-VKJFTORMSA-N 2 0 346.431 -0.391 20 0 EBADRP O=C(NCCNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)c1ccc(F)cc1 ZINC001220286858 811047209 /nfs/dbraw/zinc/04/72/09/811047209.db2.gz RSVIRFGEWRJDDV-CXAGYDPISA-N 2 0 334.395 -0.129 20 0 EBADRP O=C(NCc1ncn2c1C[NH2+]CCC2)c1cnc2n1CC[NH2+]CC2 ZINC001220312685 811051727 /nfs/dbraw/zinc/05/17/27/811051727.db2.gz BPDLSGGRHNUDJE-UHFFFAOYSA-N 2 0 329.408 -0.351 20 0 EBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220311954 811052255 /nfs/dbraw/zinc/05/22/55/811052255.db2.gz UVIIYPVJFDXFJR-AAEUAGOBSA-N 2 0 334.424 -0.669 20 0 EBADRP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001220317024 811052748 /nfs/dbraw/zinc/05/27/48/811052748.db2.gz UWIKBGOWRFCNIE-XEZPLFJOSA-N 2 0 336.436 -0.871 20 0 EBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220315929 811053129 /nfs/dbraw/zinc/05/31/29/811053129.db2.gz KKTFXHWYAOAEHC-SGMGOOAPSA-N 2 0 330.454 -0.832 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220315873 811053359 /nfs/dbraw/zinc/05/33/59/811053359.db2.gz JVERRMJHCLBSTM-HEHGZKQESA-N 2 0 326.441 -0.497 20 0 EBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220320407 811055036 /nfs/dbraw/zinc/05/50/36/811055036.db2.gz NHFJVEOUUNSNJN-DUPGQFARSA-N 2 0 326.441 -0.497 20 0 EBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220319039 811055508 /nfs/dbraw/zinc/05/55/08/811055508.db2.gz CMEIGDPWVRFQKJ-WWGRRREGSA-N 2 0 326.441 -0.497 20 0 EBADRP C[C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036039922 811080889 /nfs/dbraw/zinc/08/08/89/811080889.db2.gz QODWIRLEKPYKQP-STQMWFEESA-N 2 0 336.440 -0.630 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220429046 811104456 /nfs/dbraw/zinc/10/44/56/811104456.db2.gz KDROOBNZIDHTOS-VVLHAWIVSA-N 2 0 342.443 -0.437 20 0 EBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001220429510 811104694 /nfs/dbraw/zinc/10/46/94/811104694.db2.gz SVKDNJSUZDSZPI-HVQZGBDUSA-N 2 0 346.431 -0.943 20 0 EBADRP CC(C)[C@H](NC(=O)C[C@@H]([NH3+])CCCC[NH3+])C(=O)N1CCOCC1 ZINC001220454035 811113336 /nfs/dbraw/zinc/11/33/36/811113336.db2.gz PQRMNLPKHQHBGR-ZFWWWQNUSA-N 2 0 328.457 -0.168 20 0 EBADRP COCCOc1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)cn1 ZINC001220458355 811116150 /nfs/dbraw/zinc/11/61/50/811116150.db2.gz OVJKHPCCAJNLNC-RHSMWYFYSA-N 2 0 334.420 -0.078 20 0 EBADRP CC(C)([NH3+])CN(C(=O)[C@]1(N)CC[NH2+]C1)S(=O)(=O)c1ccccc1 ZINC001220535650 811144407 /nfs/dbraw/zinc/14/44/07/811144407.db2.gz IHAVGTDALNFSJQ-HNNXBMFYSA-N 2 0 340.449 -0.368 20 0 EBADRP C[C@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)[C@H](O)c1cccc(O)c1 ZINC001220549086 811150479 /nfs/dbraw/zinc/15/04/79/811150479.db2.gz YRZONCPBWQGUNM-UVBJJODRSA-N 2 0 336.436 -0.319 20 0 EBADRP C[C@H](O)CCC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220642880 811186596 /nfs/dbraw/zinc/18/65/96/811186596.db2.gz MYUQSABTKVEHEN-IMJJTQAJSA-N 2 0 343.468 -0.581 20 0 EBADRP CCOC(=O)[C@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)[C@@H](C)CC ZINC001220666136 811195957 /nfs/dbraw/zinc/19/59/57/811195957.db2.gz RHDAVFDDBXRZFP-IACUBPJLSA-N 2 0 328.457 -0.169 20 0 EBADRP CCOC(=O)[C@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)[C@@H](C)CC ZINC001220666133 811196073 /nfs/dbraw/zinc/19/60/73/811196073.db2.gz RHDAVFDDBXRZFP-FPMFFAJLSA-N 2 0 328.457 -0.169 20 0 EBADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001220679437 811199039 /nfs/dbraw/zinc/19/90/39/811199039.db2.gz ZVAOOHNPUQILGF-LOWDOPEQSA-N 2 0 327.450 -0.448 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1cc(-c2ccncc2)n[nH]1 ZINC001220693974 811206516 /nfs/dbraw/zinc/20/65/16/811206516.db2.gz IIWUAIDMTOKKFQ-OAHLLOKOSA-N 2 0 343.435 -0.162 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCCCN1CCS(=O)(=O)CC1 ZINC001220757007 811229470 /nfs/dbraw/zinc/22/94/70/811229470.db2.gz QCWNDWNVOLYQED-ZDUSSCGKSA-N 2 0 334.486 -0.931 20 0 EBADRP CC(C)CCOCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764566 811233159 /nfs/dbraw/zinc/23/31/59/811233159.db2.gz OZPYXPICFCNFBL-CVEARBPZSA-N 2 0 345.484 -0.211 20 0 EBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220788096 811241928 /nfs/dbraw/zinc/24/19/28/811241928.db2.gz BUGMUFFCBKINIW-DZKIICNBSA-N 2 0 331.420 -0.283 20 0 EBADRP O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220791401 811243286 /nfs/dbraw/zinc/24/32/86/811243286.db2.gz XRDOJZCVLUEQTP-RRFJBIMHSA-N 2 0 331.420 -0.821 20 0 EBADRP O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220791402 811243970 /nfs/dbraw/zinc/24/39/70/811243970.db2.gz XRDOJZCVLUEQTP-SOUVJXGZSA-N 2 0 331.420 -0.821 20 0 EBADRP CCOC(=O)C1(NC(=O)c2cccnc2O[C@H]2CC[NH2+]C2)C[NH2+]C1 ZINC001220853148 811267823 /nfs/dbraw/zinc/26/78/23/811267823.db2.gz NOSOJUUCFMDFID-NSHDSACASA-N 2 0 334.376 -0.543 20 0 EBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1 ZINC001220857913 811269660 /nfs/dbraw/zinc/26/96/60/811269660.db2.gz XVIAZTKPSFNEEB-AAEUAGOBSA-N 2 0 336.440 -0.197 20 0 EBADRP COC[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])[C@@H](O)c1ccccc1 ZINC001220866367 811273412 /nfs/dbraw/zinc/27/34/12/811273412.db2.gz WSAFGDJISJRZTN-IHRRRGAJSA-N 2 0 327.450 -0.130 20 0 EBADRP [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220870981 811275725 /nfs/dbraw/zinc/27/57/25/811275725.db2.gz RCISHMXJCLPVDY-UWVGGRQHSA-N 2 0 329.198 -0.527 20 0 EBADRP N[C@@H](CC[NH3+])C(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220900236 811286484 /nfs/dbraw/zinc/28/64/84/811286484.db2.gz FARJCZLIDOQRJJ-AWEZNQCLSA-N 2 0 325.457 -0.744 20 0 EBADRP C[NH2+][C@H](C(=O)NCCN(CC[NH3+])N(O)N=O)[C@@H](C)OC(C)(C)C ZINC001220900694 811288210 /nfs/dbraw/zinc/28/82/10/811288210.db2.gz OGLIKYVXCKEHRN-MNOVXSKESA-N 2 0 334.421 -0.558 20 0 EBADRP COC(=O)C[C@@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)c1ccccn1 ZINC001220900726 811288731 /nfs/dbraw/zinc/28/87/31/811288731.db2.gz OQARRNVQVCHASK-UKRRQHHQSA-N 2 0 349.435 -0.448 20 0 EBADRP O=C(CNC(=O)[C@@H]1C[NH2+]C[C@@H]1O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220901405 811288821 /nfs/dbraw/zinc/28/88/21/811288821.db2.gz YNCJBVCESFLCEY-CABCVRRESA-N 2 0 338.452 -0.840 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC001220934456 811299684 /nfs/dbraw/zinc/29/96/84/811299684.db2.gz OOVASLCNGLZJMJ-CABCVRRESA-N 2 0 332.452 -0.473 20 0 EBADRP [NH3+][C@@H](C(=O)NCCO[C@@H]1CC[NH2+]C1)C1CCC2(CC1)OCCO2 ZINC001220936347 811301851 /nfs/dbraw/zinc/30/18/51/811301851.db2.gz FHFCESFTOZZARZ-ZIAGYGMSSA-N 2 0 327.425 -0.258 20 0 EBADRP [NH3+]C1(C(=O)NCc2ccccc2)CCN(C(=O)[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC001220970832 811318109 /nfs/dbraw/zinc/31/81/09/811318109.db2.gz JCJYDKBZWXGXED-LSDHHAIUSA-N 2 0 346.431 -0.797 20 0 EBADRP COCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220981360 811324735 /nfs/dbraw/zinc/32/47/35/811324735.db2.gz SMNYLDUTHRGJDN-ZNMIVQPWSA-N 2 0 329.441 -0.848 20 0 EBADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001221006415 811341478 /nfs/dbraw/zinc/34/14/78/811341478.db2.gz GALRGONNBPNZLU-IHRRRGAJSA-N 3 0 327.473 -0.452 20 0 EBADRP COc1cc(C)[nH]c(=O)c1CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001221015647 811344935 /nfs/dbraw/zinc/34/49/35/811344935.db2.gz NLXWLXKWEXMTRL-ZDUSSCGKSA-N 2 0 337.424 -0.529 20 0 EBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221114037 811384021 /nfs/dbraw/zinc/38/40/21/811384021.db2.gz KTAKTIUWCFBXQO-NPMABZOXSA-N 2 0 338.477 -0.085 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1cn(CC(F)(F)F)cn1 ZINC001221146355 811392055 /nfs/dbraw/zinc/39/20/55/811392055.db2.gz GBVJNCGKBPRGMC-GFCCVEGCSA-N 2 0 348.373 -0.188 20 0 EBADRP C[NH2+]CCC(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148679 811393230 /nfs/dbraw/zinc/39/32/30/811393230.db2.gz KZBHTAGSYLMOIR-UHFFFAOYSA-N 2 0 326.422 -0.458 20 0 EBADRP COCCOc1nccc(CNC(=O)[C@@H]([NH3+])CSCC[NH3+])n1 ZINC001221158114 811396622 /nfs/dbraw/zinc/39/66/22/811396622.db2.gz UBGGMNZUFAVNFA-NSHDSACASA-N 2 0 329.426 -0.863 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001221187589 811409702 /nfs/dbraw/zinc/40/97/02/811409702.db2.gz AVZVUVGYFVVCKP-ZFWWWQNUSA-N 3 0 340.468 -0.153 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001221188308 811411122 /nfs/dbraw/zinc/41/11/22/811411122.db2.gz RTYHKBVKNRHGAG-RDBSUJKOSA-N 2 0 326.441 -0.543 20 0 EBADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1 ZINC001221254411 811428325 /nfs/dbraw/zinc/42/83/25/811428325.db2.gz OGYLRJYTPNSTLH-STQMWFEESA-N 2 0 329.466 -0.531 20 0 EBADRP N=C(NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)c1cnc2ccc(F)cn21 ZINC001221323301 811442120 /nfs/dbraw/zinc/44/21/20/811442120.db2.gz ZHFKMFVRTOCPGY-LBPRGKRZSA-N 2 0 347.398 -0.335 20 0 EBADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1NC2=O ZINC001221372296 811447610 /nfs/dbraw/zinc/44/76/10/811447610.db2.gz VCZMYBSHFAPHIO-LJISPDSOSA-N 2 0 332.379 -0.085 20 0 EBADRP COC(=O)c1ccc([C@H](CO)NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)cc1 ZINC001221366392 811447944 /nfs/dbraw/zinc/44/79/44/811447944.db2.gz OJQFZYLWJUPNTA-GJZGRUSLSA-N 2 0 335.404 -0.050 20 0 EBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC(C2=CC=C(N)C[NH2+]2)CC1 ZINC001221391781 811448832 /nfs/dbraw/zinc/44/88/32/811448832.db2.gz GLKHOYIANUKSJX-LRDDRELGSA-N 2 0 347.463 -0.107 20 0 EBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](CC(C)C)NC(=O)C[NH3+] ZINC001221392040 811449705 /nfs/dbraw/zinc/44/97/05/811449705.db2.gz RMVISQQESNFNGX-LBPRGKRZSA-N 3 0 328.461 -0.460 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001221398897 811451172 /nfs/dbraw/zinc/45/11/72/811451172.db2.gz JNLCJFRSULMXSC-IRXDYDNUSA-N 3 0 331.464 -0.433 20 0 EBADRP CC[C@@H](C(=O)NCC1CC[NH+](CCNS(C)(=O)=O)CC1)[NH+](C)C ZINC001224582797 811767762 /nfs/dbraw/zinc/76/77/62/811767762.db2.gz BAZOSEMBDQKDDO-AWEZNQCLSA-N 2 0 348.513 -0.296 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001225244051 811799514 /nfs/dbraw/zinc/79/95/14/811799514.db2.gz FBMJXXHZEYZRFL-AWEZNQCLSA-N 2 0 338.452 -0.038 20 0 EBADRP CCN(C(=O)COCC[NH+](C)C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001080138342 811911877 /nfs/dbraw/zinc/91/18/77/811911877.db2.gz GQGBKJOFKTWQIV-UHFFFAOYSA-N 2 0 328.457 -0.424 20 0 EBADRP O=C(NC1CC[NH+](CCOCCO)CC1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001227454799 811923556 /nfs/dbraw/zinc/92/35/56/811923556.db2.gz VCTMYDOMBUNGJU-HOTGVXAUSA-N 2 0 341.452 -0.561 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)COC1CC[NH+](C)CC1)C(N)=O ZINC001229388764 812029647 /nfs/dbraw/zinc/02/96/47/812029647.db2.gz IMSDJBDNUAIWIB-NWANDNLSSA-N 2 0 340.468 -0.012 20 0 EBADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001080442517 812030286 /nfs/dbraw/zinc/03/02/86/812030286.db2.gz CSCCPKBYXGAKHD-RBSFLKMASA-N 2 0 337.468 -0.068 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001229709241 812050126 /nfs/dbraw/zinc/05/01/26/812050126.db2.gz FERVJCZZMNZFSF-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001229801843 812057230 /nfs/dbraw/zinc/05/72/30/812057230.db2.gz VLVFWTMAELXOJD-CHWSQXEVSA-N 2 0 341.456 -0.070 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC ZINC001229860327 812059256 /nfs/dbraw/zinc/05/92/56/812059256.db2.gz RJNSJLWFXYTRGC-CHWSQXEVSA-N 2 0 341.456 -0.199 20 0 EBADRP CCN1CC[C@H]([NH+]2CCC(NC(=O)COCC[NH+](C)C)CC2)C1=O ZINC001230048891 812072355 /nfs/dbraw/zinc/07/23/55/812072355.db2.gz XXTHPMFSLLCEHV-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080939661 812375469 /nfs/dbraw/zinc/37/54/69/812375469.db2.gz FFNLSPVGZSPDEO-CHWSQXEVSA-N 2 0 337.424 -0.930 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCC(CO)(NC(=O)CC[NH+](C)C)CC1 ZINC001080988871 812426661 /nfs/dbraw/zinc/42/66/61/812426661.db2.gz GXKOUUAWLONIOC-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP COc1ccc(OC)c(CN2CC[NH2+]CCNCC[NH2+]CC2)c1N ZINC001235871657 812514782 /nfs/dbraw/zinc/51/47/82/812514782.db2.gz UWMJFSFFXSDWQY-UHFFFAOYSA-N 2 0 337.468 -0.130 20 0 EBADRP CCOC(=O)c1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)nc1 ZINC001235872956 812514796 /nfs/dbraw/zinc/51/47/96/812514796.db2.gz DBHZHNLRZBYYIN-UHFFFAOYSA-N 2 0 335.452 -0.157 20 0 EBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001236200834 812516124 /nfs/dbraw/zinc/51/61/24/812516124.db2.gz KQAGWPOMRCDPSW-CABCVRRESA-N 2 0 333.436 -0.092 20 0 EBADRP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CC[C@@H](N4CCC([NH3+])CC4)C3)[C@@H](O)[C@@H]2O1 ZINC001236622407 812518600 /nfs/dbraw/zinc/51/86/00/812518600.db2.gz NMDABIGZKMALOG-LEOABGAYSA-N 2 0 341.452 -0.279 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(Cc1cnc3n1CC[NH2+]CC3)CC2 ZINC001237058374 812519900 /nfs/dbraw/zinc/51/99/00/812519900.db2.gz FJAACAFUBCBKSB-WMLDXEAASA-N 2 0 333.436 -0.244 20 0 EBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCOC[C@@]2(C[NH2+]CCO2)C1 ZINC001238999514 812538934 /nfs/dbraw/zinc/53/89/34/812538934.db2.gz JOGDCBAGCFNCAU-CQSZACIVSA-N 2 0 333.454 -0.993 20 0 EBADRP CCOC(=O)[C@@]12CN(S(=O)(=O)[C@@H]3CC[NH2+]C3)C[C@@H]1CC[NH2+]CC2 ZINC001239062211 812540133 /nfs/dbraw/zinc/54/01/33/812540133.db2.gz FRPHJJIATDMDGM-GUTXKFCHSA-N 2 0 345.465 -0.457 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(S(=O)(=O)[C@H]3CC[NH2+]C3)C[C@H]1C2 ZINC001239109619 812545280 /nfs/dbraw/zinc/54/52/80/812545280.db2.gz AVPVVPYDHOFMSF-KDBYPZKRSA-N 2 0 343.449 -0.991 20 0 EBADRP Nc1ccc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001239131050 812547022 /nfs/dbraw/zinc/54/70/22/812547022.db2.gz JQKIAONCAAUMDS-UHFFFAOYSA-N 2 0 343.453 -0.927 20 0 EBADRP CCOC(=O)[C@@H]1CN(S(=O)(=O)C2CC[NH2+]CC2)CCC12C[NH2+]C2 ZINC001239181483 812549324 /nfs/dbraw/zinc/54/93/24/812549324.db2.gz PYVODCQGNBOJSR-ZDUSSCGKSA-N 2 0 345.465 -0.457 20 0 EBADRP CCOC(=O)[C@H]1CN(S(=O)(=O)C2CC[NH2+]CC2)CCC12C[NH2+]C2 ZINC001239181482 812549687 /nfs/dbraw/zinc/54/96/87/812549687.db2.gz PYVODCQGNBOJSR-CYBMUJFWSA-N 2 0 345.465 -0.457 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CNCc1nnc2n1CCC[NH2+]C2 ZINC001245981374 812557411 /nfs/dbraw/zinc/55/74/11/812557411.db2.gz ANZSSVCPQWLQKU-LSDHHAIUSA-N 2 0 330.436 -0.208 20 0 EBADRP O[C@H](C[NH2+]C1CCN([C@@H]2CC[NH2+]C2)CC1)CC1(O)CC[NH2+]CC1 ZINC001246003378 812558596 /nfs/dbraw/zinc/55/85/96/812558596.db2.gz IHLBPOUSDYXWGB-CVEARBPZSA-N 3 0 326.485 -0.732 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCOCC12C[NH2+]C2 ZINC001246026328 812559300 /nfs/dbraw/zinc/55/93/00/812559300.db2.gz MJWSKZSZXAYYML-LSDHHAIUSA-N 2 0 327.375 -0.130 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCNC[C@@]12CC[NH2+]C2 ZINC001246030471 812559517 /nfs/dbraw/zinc/55/95/17/812559517.db2.gz SJZOKBJCCLBBNU-BBWFWOEESA-N 2 0 340.418 -0.167 20 0 EBADRP COC(=O)[C@@H]1C[NH2+]CCN1C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001246027686 812559931 /nfs/dbraw/zinc/55/99/31/812559931.db2.gz YFNAUAZEYYZZOX-SOUVJXGZSA-N 2 0 343.374 -0.358 20 0 EBADRP C[NH+](C)CCN(C[C@@H](O)CC1(O)CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001246061725 812562194 /nfs/dbraw/zinc/56/21/94/812562194.db2.gz ZYPPRARYQJXFAU-CVEARBPZSA-N 3 0 328.501 -0.533 20 0 EBADRP CCOCC[N@H+](C[C@@H](O)CC1(O)CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001246070554 812563612 /nfs/dbraw/zinc/56/36/12/812563612.db2.gz SERHAZILPZILKY-INIZCTEOSA-N 3 0 329.485 -0.058 20 0 EBADRP CC[C@]1(C(=O)OC)C[C@@H]([NH2+]CC2(C(=O)OC)CC[NH2+]CC2)CN1 ZINC001246095916 812565170 /nfs/dbraw/zinc/56/51/70/812565170.db2.gz GZBCNPJVJCZRJH-MLGOLLRUSA-N 2 0 327.425 -0.198 20 0 EBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)CCN1 ZINC001246143906 812565899 /nfs/dbraw/zinc/56/58/99/812565899.db2.gz KCEZHCVJUILAAG-KNCOVGOOSA-N 2 0 327.425 -0.735 20 0 EBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)CN1 ZINC001246141222 812566186 /nfs/dbraw/zinc/56/61/86/812566186.db2.gz CYMRXOOLNDNBBW-ORIJERBGSA-N 2 0 327.425 -0.735 20 0 EBADRP O=C(N1CCOCC1)N1CCC([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246185842 812566923 /nfs/dbraw/zinc/56/69/23/812566923.db2.gz CJYQKZPXNSZIAH-OAHLLOKOSA-N 2 0 337.468 -0.413 20 0 EBADRP O=C([C@@H]1C[C@H]([NH2+]C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CN1)N1CCSC1 ZINC001246159033 812567366 /nfs/dbraw/zinc/56/73/66/812567366.db2.gz WGOIUPCIIBCATO-YYFQZIEXSA-N 2 0 340.493 -0.536 20 0 EBADRP O=C([C@@H]1C[C@H](N[C@H]2CO[C@@]3(CC[NH2+]C3)C2)C[NH2+]1)N1CCSC1 ZINC001246152930 812567551 /nfs/dbraw/zinc/56/75/51/812567551.db2.gz NZMSIZRDNXQFEB-XFMPKHEZSA-N 2 0 326.466 -0.640 20 0 EBADRP C[C@@H]1CC[C@H](NCCOCCOCCOCCOCC[NH3+])C[NH2+]1 ZINC001246212104 812568750 /nfs/dbraw/zinc/56/87/50/812568750.db2.gz CLYKWBDBDIHWEY-CVEARBPZSA-N 2 0 333.473 -0.258 20 0 EBADRP O=C([C@@H]1C[C@H](N[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)C[NH2+]1)N1CCSC1 ZINC001246255044 812569690 /nfs/dbraw/zinc/56/96/90/812569690.db2.gz IPBHIAZENWXJBE-YXWQFLTLSA-N 2 0 340.493 -0.250 20 0 EBADRP CCOC(=O)C1=C(N[C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[NH2+]C1 ZINC001246349079 812570549 /nfs/dbraw/zinc/57/05/49/812570549.db2.gz JXBURUNKSQNVKQ-JQWIXIFHSA-N 2 0 340.449 -0.740 20 0 EBADRP COCCC1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCS(=O)(=O)CC1 ZINC001246390231 812572052 /nfs/dbraw/zinc/57/20/52/812572052.db2.gz KBLALDBZOHODLI-CYBMUJFWSA-N 2 0 331.482 -0.346 20 0 EBADRP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1C1CC[NH2+]CC1 ZINC001246482613 812573519 /nfs/dbraw/zinc/57/35/19/812573519.db2.gz OVHXYGIWGCXRPI-KBPBESRZSA-N 2 0 334.424 -0.846 20 0 EBADRP CC(=O)N1CCOC[C@]2(C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)CCO2)C1 ZINC001246723495 812583547 /nfs/dbraw/zinc/58/35/47/812583547.db2.gz JKBMXOHPJBCQKL-NVXWUHKLSA-N 2 0 338.452 -0.970 20 0 EBADRP CC(=O)NCc1nnn2c1C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246739225 812584535 /nfs/dbraw/zinc/58/45/35/812584535.db2.gz QDJSIRVOPGMECD-ZDUSSCGKSA-N 2 0 333.440 -0.786 20 0 EBADRP CS(=O)(=O)N(Cc1cnc2n1CC[NH2+]CC2)[C@H]1CCC[NH2+]C1 ZINC001246740238 812584603 /nfs/dbraw/zinc/58/46/03/812584603.db2.gz VQWZORAJUPVGDF-LBPRGKRZSA-N 2 0 327.454 -0.458 20 0 EBADRP O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CCNC3(C[NH2+]C3)C2)O1 ZINC001246744063 812586096 /nfs/dbraw/zinc/58/60/96/812586096.db2.gz ZAEBGBDFHKLKBT-FPCVCCKLSA-N 2 0 334.464 -0.162 20 0 EBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1C1C[C@H]2CC(C(=O)OC)C[C@@H](C1)[NH2+]2 ZINC001246835129 812590012 /nfs/dbraw/zinc/59/00/12/812590012.db2.gz JXBGSPBJVLATQN-UQZYOTNSSA-N 2 0 325.409 -0.367 20 0 EBADRP CCOC(=O)[C@H]1CC[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)CO1 ZINC001246824546 812590229 /nfs/dbraw/zinc/59/02/29/812590229.db2.gz YVGPXVWGZBHATM-LSDHHAIUSA-N 2 0 328.457 -0.819 20 0 EBADRP CCOC(=O)N1CC[C@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])C1 ZINC001246923142 812593272 /nfs/dbraw/zinc/59/32/72/812593272.db2.gz ARKVLTWKGCBPMS-ZDUSSCGKSA-N 2 0 329.445 -0.667 20 0 EBADRP COC(=O)[C@@H]1CCC[C@@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])C1 ZINC001246926252 812593401 /nfs/dbraw/zinc/59/34/01/812593401.db2.gz RWIMUSKKDIDWPN-ZIAGYGMSSA-N 3 0 328.457 -0.166 20 0 EBADRP CCOC(=O)[C@H]1C[N@@H+]([C@H]2CCN[C@H](C(=O)OC)C2)CCC12C[NH2+]C2 ZINC001247006370 812595525 /nfs/dbraw/zinc/59/55/25/812595525.db2.gz JAHWRWJSJMMHKA-MJBXVCDLSA-N 2 0 339.436 -0.245 20 0 EBADRP CCOC(=O)[C@H]1C[N@@H+]([C@@H]2CCN[C@H](C(=O)OC)C2)CCC12C[NH2+]C2 ZINC001247006369 812596273 /nfs/dbraw/zinc/59/62/73/812596273.db2.gz JAHWRWJSJMMHKA-MCIONIFRSA-N 2 0 339.436 -0.245 20 0 EBADRP c1cc(-c2noc([C@@H]3COC4(C[NH2+]C4)CN3)n2)nc2c1C[NH2+]CC2 ZINC001247861380 812603681 /nfs/dbraw/zinc/60/36/81/812603681.db2.gz MPCILAUNIAFYID-ZDUSSCGKSA-N 2 0 328.376 -0.220 20 0 EBADRP O[C@H](C[NH2+][C@H]1CC[C@H]([NH+]2CCOCC2)CC1)CN1CCOCC1 ZINC001251041833 812619660 /nfs/dbraw/zinc/61/96/60/812619660.db2.gz OSHGRDBYTZOIQJ-BRWVUGGUSA-N 2 0 327.469 -0.088 20 0 EBADRP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CCN(CC[NH3+])N(O)N=O ZINC001255807925 812721872 /nfs/dbraw/zinc/72/18/72/812721872.db2.gz JTTAMWCGUWKDCN-LBPRGKRZSA-N 2 0 345.425 -0.013 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001256780113 812739121 /nfs/dbraw/zinc/73/91/21/812739121.db2.gz RHWLOAQWVZQYKS-CQSZACIVSA-N 2 0 328.457 -0.519 20 0 EBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](C[NH2+]C2CCN(S(C)(=O)=O)CC2)O1 ZINC001257228796 812756215 /nfs/dbraw/zinc/75/62/15/812756215.db2.gz XQDLJDDAQHEHDN-MGPQQGTHSA-N 2 0 335.470 -0.275 20 0 EBADRP COC(=O)CCS(=O)(=O)CC[C@H](C)NC(=[NH2+])SCC[NH3+] ZINC001257917148 812773328 /nfs/dbraw/zinc/77/33/28/812773328.db2.gz CWCVOBHZBSFHJJ-VIFPVBQESA-N 2 0 325.456 -0.041 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001261633120 812955264 /nfs/dbraw/zinc/95/52/64/812955264.db2.gz WZFTVBSIEMTVAA-KGLIPLIRSA-N 2 0 326.441 -0.712 20 0 EBADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC001262063765 813030549 /nfs/dbraw/zinc/03/05/49/813030549.db2.gz IUZPQLSCEWWAEY-KGLIPLIRSA-N 2 0 340.468 -0.060 20 0 EBADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC001262063764 813030942 /nfs/dbraw/zinc/03/09/42/813030942.db2.gz IUZPQLSCEWWAEY-KBPBESRZSA-N 2 0 340.468 -0.060 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001081498521 813070207 /nfs/dbraw/zinc/07/02/07/813070207.db2.gz BPDOQPHXFLTPOD-HUUCEWRRSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001081505312 813091923 /nfs/dbraw/zinc/09/19/23/813091923.db2.gz DOIJZEYECWUQKC-GJZGRUSLSA-N 2 0 342.484 -0.395 20 0 EBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001262545673 813092659 /nfs/dbraw/zinc/09/26/59/813092659.db2.gz FWGZWCLZDNKSQB-BFHYXJOUSA-N 2 0 326.441 -0.984 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001081505311 813093158 /nfs/dbraw/zinc/09/31/58/813093158.db2.gz DOIJZEYECWUQKC-CABCVRRESA-N 2 0 342.484 -0.395 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001263102880 813106854 /nfs/dbraw/zinc/10/68/54/813106854.db2.gz HHZDDFMRXZQHIA-INIZCTEOSA-N 2 0 341.500 -0.380 20 0 EBADRP C[C@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C[C@@H](O)C[NH2+]1 ZINC001263103975 813108047 /nfs/dbraw/zinc/10/80/47/813108047.db2.gz RZFCCBRFRBHJQG-SJLPKXTDSA-N 3 0 347.463 -0.177 20 0 EBADRP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)NC[C@@H]1CCOC1 ZINC001264971465 813208426 /nfs/dbraw/zinc/20/84/26/813208426.db2.gz TYTWSFNYQMTSIW-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CCN1CCNC1=O ZINC001265000660 813215261 /nfs/dbraw/zinc/21/52/61/813215261.db2.gz AMEVSGSMZNDBKG-AWEZNQCLSA-N 2 0 325.457 -0.066 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001265027365 813223458 /nfs/dbraw/zinc/22/34/58/813223458.db2.gz NOZLLPGLTFCWED-GFCCVEGCSA-N 2 0 341.456 -0.390 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001265460043 813328216 /nfs/dbraw/zinc/32/82/16/813328216.db2.gz WUROFGDILTUHNB-UONOGXRCSA-N 2 0 346.497 -0.400 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1O ZINC001081634330 813334527 /nfs/dbraw/zinc/33/45/27/813334527.db2.gz GDJOUVPLGCTSIQ-LSDHHAIUSA-N 2 0 342.484 -0.395 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001265555773 813339458 /nfs/dbraw/zinc/33/94/58/813339458.db2.gz ICKZEMSCVSYVSR-TXEJJXNPSA-N 2 0 325.413 -0.883 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001265566585 813341034 /nfs/dbraw/zinc/34/10/34/813341034.db2.gz KBBQTLDPFDOVNC-SCRDCRAPSA-N 2 0 339.440 -0.639 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081636132 813344314 /nfs/dbraw/zinc/34/43/14/813344314.db2.gz ZLKQJXDYMXARGC-KGLIPLIRSA-N 2 0 328.457 -0.785 20 0 EBADRP C[NH+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]CCN1CCNC1=O ZINC001265681920 813358226 /nfs/dbraw/zinc/35/82/26/813358226.db2.gz HPQBUEUKOJNCSS-AWEZNQCLSA-N 2 0 325.457 -0.066 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCCN1CC[NH+](CCO)CC1 ZINC001266262311 813497241 /nfs/dbraw/zinc/49/72/41/813497241.db2.gz HLMDNHCAVTZHTM-MRXNPFEDSA-N 2 0 326.485 -0.025 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH+]2CCN(CCn3cncn3)CC2)C1 ZINC001266277911 813507746 /nfs/dbraw/zinc/50/77/46/813507746.db2.gz WKQPTOZGWFKKHH-INIZCTEOSA-N 2 0 349.483 -0.646 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@H]1O ZINC001081774822 813542691 /nfs/dbraw/zinc/54/26/91/813542691.db2.gz UIUWUQNDZAJSQG-LSDHHAIUSA-N 2 0 342.484 -0.396 20 0 EBADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CCN1C(=O)CNC1=O ZINC001266408177 813561105 /nfs/dbraw/zinc/56/11/05/813561105.db2.gz CCGQVNJAXRWPRX-GFCCVEGCSA-N 2 0 325.413 -0.930 20 0 EBADRP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001081959790 813692195 /nfs/dbraw/zinc/69/21/95/813692195.db2.gz YCBUDMGSUQDRPZ-VXSWHIBVSA-N 2 0 339.436 -0.953 20 0 EBADRP CN(CC[NH2+]CC(=O)NC(=O)NC1CC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001266988035 813720692 /nfs/dbraw/zinc/72/06/92/813720692.db2.gz CMRSRZXGFFPYHS-GFCCVEGCSA-N 2 0 339.440 -0.636 20 0 EBADRP C[N@H+](CC(=O)N1CC[C@H](C[NH2+]CCS(C)(=O)=O)C1)C1CCC1 ZINC001267044170 813744834 /nfs/dbraw/zinc/74/48/34/813744834.db2.gz GYPYAANMTYSWIJ-CYBMUJFWSA-N 2 0 331.482 -0.047 20 0 EBADRP CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1CC(=O)NC(N)=O)[NH+](C)C ZINC001267175052 813778532 /nfs/dbraw/zinc/77/85/32/813778532.db2.gz OSXDVKDUSBMVJO-OLZOCXBDSA-N 2 0 341.456 -0.118 20 0 EBADRP CO[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001082222119 813829537 /nfs/dbraw/zinc/82/95/37/813829537.db2.gz HFJTZEBMNFTQPA-BPLDGKMQSA-N 2 0 339.440 -0.746 20 0 EBADRP COCC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1 ZINC001082222143 813829690 /nfs/dbraw/zinc/82/96/90/813829690.db2.gz IOYUXUFHLIXZQA-HUUCEWRRSA-N 2 0 339.440 -0.480 20 0 EBADRP CN(CC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)C12CCC[NH+](CCC1)C2 ZINC001267389828 813872885 /nfs/dbraw/zinc/87/28/85/813872885.db2.gz GJLNCOJVIIFFNH-ZDUSSCGKSA-N 2 0 336.436 -0.284 20 0 EBADRP CN(CC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)C12CCC[NH+](CCC1)C2 ZINC001267389827 813873529 /nfs/dbraw/zinc/87/35/29/813873529.db2.gz GJLNCOJVIIFFNH-CYBMUJFWSA-N 2 0 336.436 -0.284 20 0 EBADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001082617472 813979374 /nfs/dbraw/zinc/97/93/74/813979374.db2.gz WLGCFCJVEOPHEV-HZSPNIEDSA-N 2 0 348.447 -0.144 20 0 EBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082740866 814003073 /nfs/dbraw/zinc/00/30/73/814003073.db2.gz INWIVUSCUYYAIX-QLFBSQMISA-N 2 0 337.468 -0.068 20 0 EBADRP Cc1c(C(=O)NC[C@@H](O)C[NH2+]Cc2cnnn2C)ccc2c[nH+]cn21 ZINC001268316780 814192870 /nfs/dbraw/zinc/19/28/70/814192870.db2.gz VPJVBYALPXYFCK-AWEZNQCLSA-N 2 0 343.391 -0.348 20 0 EBADRP C[C@@H](C(=O)NC[C@H](O)C[NH2+]CCn1cncn1)[NH+]1CCCCCC1 ZINC001268323832 814202157 /nfs/dbraw/zinc/20/21/57/814202157.db2.gz KOOPTEUTZFBYLP-LSDHHAIUSA-N 2 0 338.456 -0.391 20 0 EBADRP C[C@@H](CC[NH2+]CCCN1C(=O)CNC1=O)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268425255 814238884 /nfs/dbraw/zinc/23/88/84/814238884.db2.gz ZPUZOMLRJKXGIH-QWHCGFSZSA-N 2 0 339.440 -0.636 20 0 EBADRP C[C@@H](CC[NH2+]CCCN1C(=O)CNC1=O)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268425257 814239506 /nfs/dbraw/zinc/23/95/06/814239506.db2.gz ZPUZOMLRJKXGIH-STQMWFEESA-N 2 0 339.440 -0.636 20 0 EBADRP O=C(NC/C=C/C[NH2+]CCCN1C(=O)CNC1=O)C12CC[NH+](CC1)C2 ZINC001268614034 814319144 /nfs/dbraw/zinc/31/91/44/814319144.db2.gz SFXQMAMNZWWBIG-OWOJBTEDSA-N 2 0 349.435 -0.714 20 0 EBADRP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]CC(=O)NC1CCOCC1 ZINC001268624466 814325349 /nfs/dbraw/zinc/32/53/49/814325349.db2.gz COYXPVPFTOAHKS-OWOJBTEDSA-N 2 0 338.452 -0.361 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC=CC[NH2+]Cc2cc(=O)n3nccc3[nH]2)C1 ZINC001268626107 814325498 /nfs/dbraw/zinc/32/54/98/814325498.db2.gz MSWRSAWUWFERAD-IBUXWKBASA-N 2 0 344.419 -0.264 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268674272 814347590 /nfs/dbraw/zinc/34/75/90/814347590.db2.gz OCXXWQATRXUOTQ-CHWSQXEVSA-N 2 0 341.456 -0.342 20 0 EBADRP C[C@@H](C[NH2+]CCN1C(=O)NC(C)(C)C1=O)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268715401 814363357 /nfs/dbraw/zinc/36/33/57/814363357.db2.gz HVEDPDGRPMYFRP-RYUDHWBXSA-N 2 0 339.440 -0.637 20 0 EBADRP C[C@H](C[N@H+](C)CCN1C(=O)CNC1=O)NC(=O)[C@H]1CCCC[NH+]1C ZINC001268736987 814370250 /nfs/dbraw/zinc/37/02/50/814370250.db2.gz XLUAIIYWHYUZQV-CHWSQXEVSA-N 2 0 339.440 -0.541 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCCN(C)C(=O)CC[NH+](C)C)CCO1 ZINC001268836994 814407346 /nfs/dbraw/zinc/40/73/46/814407346.db2.gz ZVHFWSOQHPXTQC-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CCC[NH2+][C@@H]1CCNC1=O ZINC001268949876 814455597 /nfs/dbraw/zinc/45/55/97/814455597.db2.gz DIAUVUCIUJLYRD-UONOGXRCSA-N 2 0 326.441 -0.719 20 0 EBADRP Cn1cc(CC[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)cn1 ZINC001083465552 814460944 /nfs/dbraw/zinc/46/09/44/814460944.db2.gz ITJVOTVCWGZFRK-BBWFWOEESA-N 2 0 347.463 -0.534 20 0 EBADRP COCCOC[NH2+][C@@]12CC[C@@](NC(=O)CN(C)C(N)=[NH2+])(C1)CCC2 ZINC001268996090 814466921 /nfs/dbraw/zinc/46/69/21/814466921.db2.gz IEOSMJJKGMIJII-JKSUJKDBSA-N 2 0 341.456 -0.017 20 0 EBADRP CN(CC(=O)N1CC2(CCN2C(=O)[C@@H]2CC3CC[NH+]2CC3)C1)C(N)=[NH2+] ZINC001268996596 814467582 /nfs/dbraw/zinc/46/75/82/814467582.db2.gz NWKCFKFAKMCUPZ-ZDUSSCGKSA-N 2 0 348.451 -0.891 20 0 EBADRP C[C@H](C(=O)N1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2)n1ccnc1 ZINC001269158657 814556740 /nfs/dbraw/zinc/55/67/40/814556740.db2.gz YISNJVRASISXPR-RHSMWYFYSA-N 2 0 349.435 -0.164 20 0 EBADRP CC(=O)NCCOCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001269220780 814583731 /nfs/dbraw/zinc/58/37/31/814583731.db2.gz CHDPIKVICPAMRA-HZPDHXFCSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@]2(F)C1=O ZINC001269249330 814595904 /nfs/dbraw/zinc/59/59/04/814595904.db2.gz WDRXIJWPCLXGHV-DAXOMENPSA-N 2 0 344.406 -0.399 20 0 EBADRP CC[C@@H](C(=O)N1CCC(CC[NH2+]CC(=O)NC(N)=O)CC1)[NH+](C)C ZINC001269909063 815635152 /nfs/dbraw/zinc/63/51/52/815635152.db2.gz YZTVPJPTDAYNSN-ZDUSSCGKSA-N 2 0 341.456 -0.260 20 0 EBADRP C[C@H](F)CC[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001083851179 815649086 /nfs/dbraw/zinc/64/90/86/815649086.db2.gz QWCVZKMMXYBEQR-CFVMTHIKSA-N 2 0 341.431 -0.032 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@@H]2O)C1 ZINC001084056933 815802170 /nfs/dbraw/zinc/80/21/70/815802170.db2.gz USLPHWBAKGWWQF-KFWWJZLASA-N 2 0 338.452 -0.888 20 0 EBADRP C[NH+](C)CCN1CC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@H](O)C3)C2)C1=O ZINC001271086295 815979069 /nfs/dbraw/zinc/97/90/69/815979069.db2.gz JRVGZRRTQNCGGQ-YOEHRIQHSA-N 2 0 338.452 -0.934 20 0 EBADRP C[NH+](C)CCN1CC[C@]2(CCCN2C(=O)CN2CC[C@H](O)C2)C1=O ZINC001271087835 815980585 /nfs/dbraw/zinc/98/05/85/815980585.db2.gz ZPWNYEKVXFPNEZ-WMLDXEAASA-N 2 0 338.452 -0.792 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001084831600 815991203 /nfs/dbraw/zinc/99/12/03/815991203.db2.gz RZEUZDFLKQNFHI-QLFBSQMISA-N 2 0 348.447 -0.380 20 0 EBADRP Cc1nnc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)[nH]1 ZINC001086091827 816227236 /nfs/dbraw/zinc/22/72/36/816227236.db2.gz PBKWLUUOTVZKJD-BARDWOONSA-N 2 0 348.451 -0.039 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001086177475 816261045 /nfs/dbraw/zinc/26/10/45/816261045.db2.gz VPZTVVFXOMCITQ-XGUBFFRZSA-N 2 0 338.452 -0.532 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086198697 816267982 /nfs/dbraw/zinc/26/79/82/816267982.db2.gz BOKSFBIYRWGFIJ-XQLPTFJDSA-N 2 0 337.468 -0.306 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086198696 816268043 /nfs/dbraw/zinc/26/80/43/816268043.db2.gz BOKSFBIYRWGFIJ-KBXIAJHMSA-N 2 0 337.468 -0.306 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1)C(N)=O ZINC001086369052 816310146 /nfs/dbraw/zinc/31/01/46/816310146.db2.gz NDNDBLBZUJRCCF-AVGNSLFASA-N 2 0 336.440 -0.584 20 0 EBADRP Cn1cc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)nn1 ZINC001086373302 816310385 /nfs/dbraw/zinc/31/03/85/816310385.db2.gz SLKXMMPXSSKGIK-DARAHFNDSA-N 2 0 348.451 -0.337 20 0 EBADRP Cc1nnc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)[nH]1 ZINC001086373204 816310859 /nfs/dbraw/zinc/31/08/59/816310859.db2.gz PBKWLUUOTVZKJD-ZQDZILKHSA-N 2 0 348.451 -0.039 20 0 EBADRP NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001086387342 816315436 /nfs/dbraw/zinc/31/54/36/816315436.db2.gz ZMRJQDOQOSYOQN-YDHLFZDLSA-N 2 0 338.452 -0.401 20 0 EBADRP O=C(NC[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)C12CCC[NH+]1CCC2 ZINC001086416719 816326543 /nfs/dbraw/zinc/32/65/43/816326543.db2.gz DGZQYVLODPFFNX-MGPQQGTHSA-N 2 0 348.447 -0.096 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001086478753 816350242 /nfs/dbraw/zinc/35/02/42/816350242.db2.gz YWFHZFYWNZRXAH-CYDGBPFRSA-N 2 0 336.440 -0.710 20 0 EBADRP COc1cccc(C[NH2+]CCN(CCO)C(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001272306774 816392642 /nfs/dbraw/zinc/39/26/42/816392642.db2.gz BLNHQTSGJOPACK-AWEZNQCLSA-N 2 0 336.436 -0.048 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCc1cnn(C)c1 ZINC001272414698 816426003 /nfs/dbraw/zinc/42/60/03/816426003.db2.gz ROTBMLOWDGFUBI-HOTGVXAUSA-N 2 0 337.468 -0.098 20 0 EBADRP CC(C)[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1)[NH+](C)C ZINC001086983242 816434974 /nfs/dbraw/zinc/43/49/74/816434974.db2.gz CYOOLIYYJNUOLD-XHSDSOJGSA-N 2 0 337.468 -0.117 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CC2(C1)CC[NH+](Cc1cn[nH]c1)C2 ZINC001272556201 816474034 /nfs/dbraw/zinc/47/40/34/816474034.db2.gz YPYNVEKJICHHEZ-HNNXBMFYSA-N 2 0 332.452 -0.310 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCC2(CN(CC[NH+](C)C)C2)CC1 ZINC001272565931 816477616 /nfs/dbraw/zinc/47/76/16/816477616.db2.gz SRSQOTBXCWUUHM-MRXNPFEDSA-N 2 0 337.512 -0.282 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCN1CCCC1=O ZINC001272583800 816486175 /nfs/dbraw/zinc/48/61/75/816486175.db2.gz KEYXEIUULCSBLF-HUUCEWRRSA-N 2 0 340.468 -0.450 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CCN3CCNC3=O)C2)C1 ZINC001272641002 816499551 /nfs/dbraw/zinc/49/95/51/816499551.db2.gz ABQMCFMMKRTEHG-HUUCEWRRSA-N 2 0 337.468 -0.209 20 0 EBADRP C[C@@H](CC[NH2+]CCN1CCCC1=O)NC(=O)[C@H]1CN(C)CCO1 ZINC001272704679 816508822 /nfs/dbraw/zinc/50/88/22/816508822.db2.gz TYLRXSGJVLOORG-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@H](CC[NH2+]CCN1CCNC1=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001272829227 816531508 /nfs/dbraw/zinc/53/15/08/816531508.db2.gz HISVZTTZLJIRJE-CYBMUJFWSA-N 2 0 325.457 -0.020 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CCN4CCNC4=O)CC[C@@H]3C2)C1 ZINC001088200095 816648276 /nfs/dbraw/zinc/64/82/76/816648276.db2.gz PQDQCOCXKPHKKK-OAGGEKHMSA-N 2 0 349.479 -0.256 20 0 EBADRP CCNC(=O)CN1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273698832 816728524 /nfs/dbraw/zinc/72/85/24/816728524.db2.gz DLRCHIPKGOMFJW-INIZCTEOSA-N 2 0 326.441 -0.765 20 0 EBADRP CNC(=O)C(C)(C)[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273839043 816781917 /nfs/dbraw/zinc/78/19/17/816781917.db2.gz BNCGSVVHZVXBBQ-INIZCTEOSA-N 2 0 326.441 -0.624 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@](CO)([NH2+]CCOCCO)C2)C1 ZINC001273910743 816806250 /nfs/dbraw/zinc/80/62/50/816806250.db2.gz KNTLFIRGGINJRK-NVXWUHKLSA-N 2 0 343.468 -0.720 20 0 EBADRP Cn1nncc1C[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274129353 816875084 /nfs/dbraw/zinc/87/50/84/816875084.db2.gz AYFMSAIVNMIOKE-INIZCTEOSA-N 2 0 334.424 -0.282 20 0 EBADRP CN1CCN(C(=O)N2CCC[C@]23CCN(CC[NH+](C)C)C3=O)CC1 ZINC001274243167 816908040 /nfs/dbraw/zinc/90/80/40/816908040.db2.gz YVKVWTLXWCOCAY-QGZVFWFLSA-N 2 0 337.468 -0.018 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001274263521 816913423 /nfs/dbraw/zinc/91/34/23/816913423.db2.gz RVAMRQKWQNQGTA-XQJDBVBESA-N 2 0 337.424 -0.669 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)COC1CC[NH+](C)CC1 ZINC001274471529 816975011 /nfs/dbraw/zinc/97/50/11/816975011.db2.gz IAQNBOPCPLKLMN-IHVVCDCBSA-N 2 0 326.441 -0.506 20 0 EBADRP CCOC[C@@H](O)C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274564421 817008310 /nfs/dbraw/zinc/00/83/10/817008310.db2.gz FITSYXLRZVRKTI-HOCLYGCPSA-N 2 0 329.441 -0.751 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC/C=C\C[NH2+]Cc1cnnn1C ZINC001274578454 817020807 /nfs/dbraw/zinc/02/08/07/817020807.db2.gz IEPNGTLCTMBIFQ-NQHOJNORSA-N 2 0 336.440 -0.455 20 0 EBADRP CC(C)OC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274628562 817045652 /nfs/dbraw/zinc/04/56/52/817045652.db2.gz UWZWFXVKUSUNRB-DOTOQJQBSA-N 2 0 343.468 -0.363 20 0 EBADRP C[C@@H](C[NH2+]CCCS(=O)(=O)N(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001275157893 817158154 /nfs/dbraw/zinc/15/81/54/817158154.db2.gz XRLUWNVETYGAJC-BFHYXJOUSA-N 2 0 348.513 -0.298 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CC[N@H+](CCCF)C[C@@H]2O)n1 ZINC001090270901 817211978 /nfs/dbraw/zinc/21/19/78/817211978.db2.gz CVSSEUNSTPGEKC-HIFRSBDPSA-N 2 0 341.431 -0.031 20 0 EBADRP CN(CCC[NH2+]CC(=O)N1CCOCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001276173991 817368345 /nfs/dbraw/zinc/36/83/45/817368345.db2.gz MELDVZYZAYACMF-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CCN2C(=O)CCC2=O)C1 ZINC001276459811 817408740 /nfs/dbraw/zinc/40/87/40/817408740.db2.gz FJSCGSFHKAWRQQ-CYBMUJFWSA-N 2 0 336.436 -0.332 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001276947281 817499991 /nfs/dbraw/zinc/49/99/91/817499991.db2.gz QNIUGJGXZCLURJ-IHRRRGAJSA-N 2 0 336.436 -0.286 20 0 EBADRP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O ZINC001090519453 817500530 /nfs/dbraw/zinc/50/05/30/817500530.db2.gz HMXYJIHBHVGPOB-ZIAGYGMSSA-N 2 0 325.409 -0.111 20 0 EBADRP Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](O)C2)cn1 ZINC001090536225 817518105 /nfs/dbraw/zinc/51/81/05/817518105.db2.gz CGAZEMGIJOHCDU-IAGOWNOFSA-N 2 0 349.479 -0.144 20 0 EBADRP CN(C(=O)C[NH+]1CCCC1)[C@@H](C[NH2+]CCN1CCNC1=O)C1CC1 ZINC001277726472 817629052 /nfs/dbraw/zinc/62/90/52/817629052.db2.gz KEKCPPRPPKEZII-HNNXBMFYSA-N 2 0 337.468 -0.066 20 0 EBADRP C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]CCN1C(=O)CNC1=O ZINC001277913549 817655747 /nfs/dbraw/zinc/65/57/47/817655747.db2.gz GUTZEWCUIAUYTK-LBPRGKRZSA-N 2 0 339.440 -0.684 20 0 EBADRP CN(C)C(=O)CN1CCC2(C[NH+](CCCN3CC[NH+](C)CC3)C2)C1 ZINC001278117599 817703333 /nfs/dbraw/zinc/70/33/33/817703333.db2.gz UJNDPGADGWKMKQ-UHFFFAOYSA-N 2 0 337.512 -0.280 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)[C@H]1C ZINC001278324251 817741169 /nfs/dbraw/zinc/74/11/69/817741169.db2.gz FCKNXORHGPTTNN-CHWSQXEVSA-N 2 0 339.440 -0.543 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CCNC(=O)C1CC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001278791226 817833812 /nfs/dbraw/zinc/83/38/12/817833812.db2.gz LTIGDOCGCCYDDU-UONOGXRCSA-N 2 0 326.441 -0.984 20 0 EBADRP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001279388628 817923595 /nfs/dbraw/zinc/92/35/95/817923595.db2.gz PDUCUEUPXHYQOL-HZSPNIEDSA-N 2 0 336.436 -0.476 20 0 EBADRP COCCOCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001279529484 817948692 /nfs/dbraw/zinc/94/86/92/817948692.db2.gz MXUXVHGJOVZBTQ-DOTOQJQBSA-N 2 0 343.468 -0.456 20 0 EBADRP COCCOCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001279529508 817948827 /nfs/dbraw/zinc/94/88/27/817948827.db2.gz MXUXVHGJOVZBTQ-RDJZCZTQSA-N 2 0 343.468 -0.456 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CCN1C(=O)COCC[NH+](C)C ZINC001282347842 818395586 /nfs/dbraw/zinc/39/55/86/818395586.db2.gz DJMPTJMOCYDIGD-KFWWJZLASA-N 2 0 340.468 -0.378 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001283064183 818620762 /nfs/dbraw/zinc/62/07/62/818620762.db2.gz GTHUUQVARYAZKC-AWEZNQCLSA-N 2 0 340.468 -0.188 20 0 EBADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001095784081 818689968 /nfs/dbraw/zinc/68/99/68/818689968.db2.gz AQJIEGKMYCIYDY-TUBVSAOGSA-N 2 0 335.448 -0.047 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283278263 818734941 /nfs/dbraw/zinc/73/49/41/818734941.db2.gz KADDLOMSQUICKT-QWHCGFSZSA-N 2 0 341.456 -0.342 20 0 EBADRP Cc1cc(CN(C)CCOCCNC(=O)[C@@H]2CN(C)CCO2)on1 ZINC001283364153 818778092 /nfs/dbraw/zinc/77/80/92/818778092.db2.gz UOKAGMORPKPXMV-HNNXBMFYSA-N 2 0 340.424 -0.122 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCN1C(=O)CNC1=O ZINC001096887543 818899741 /nfs/dbraw/zinc/89/97/41/818899741.db2.gz MNOVZTKWSOFUMK-MQYQWHSLSA-N 2 0 349.435 -0.646 20 0 EBADRP CN(C)C(=O)C[N@H+](CCO)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001098449880 819194695 /nfs/dbraw/zinc/19/46/95/819194695.db2.gz RMKQKOAODAHCTD-OAHLLOKOSA-N 2 0 340.468 -0.546 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH+](CCO)CCCO)CC1 ZINC001098478982 819209078 /nfs/dbraw/zinc/20/90/78/819209078.db2.gz MWJNKMSKDBTSPG-ZBFHGGJFSA-N 2 0 327.469 -0.148 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC([N@H+](CCO)CCCO)CC1 ZINC001098533235 819234905 /nfs/dbraw/zinc/23/49/05/819234905.db2.gz XWIANUCRUWFQDH-UHFFFAOYSA-N 2 0 331.457 -0.768 20 0 EBADRP COC[C@H](O)C[N@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001098561260 819245086 /nfs/dbraw/zinc/24/50/86/819245086.db2.gz YWDOGAQQYBFZOH-GOEBONIOSA-N 2 0 343.468 -0.769 20 0 EBADRP COC[C@@H](O)C[N@H+](CCO)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001098561984 819246370 /nfs/dbraw/zinc/24/63/70/819246370.db2.gz QWQDHWYTFOAGSB-INIZCTEOSA-N 2 0 343.468 -0.625 20 0 EBADRP CNC(=O)C[N@H+](CCO)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001098572417 819251022 /nfs/dbraw/zinc/25/10/22/819251022.db2.gz GWRNZAXEULPDOX-UHFFFAOYSA-N 2 0 328.457 -0.642 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098784758 819366910 /nfs/dbraw/zinc/36/69/10/819366910.db2.gz LBPSVWYALUGARM-HNNXBMFYSA-N 2 0 338.456 -0.136 20 0 EBADRP CN(CCOCC[NH2+][C@@H]1CCCNC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001284876310 819386165 /nfs/dbraw/zinc/38/61/65/819386165.db2.gz SSWVZOFVYMWKFX-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C[C@@H]2O)CCC1 ZINC001099874988 819814310 /nfs/dbraw/zinc/81/43/10/819814310.db2.gz UCWHIIIAPFVXEM-KBPBESRZSA-N 2 0 336.440 -0.686 20 0 EBADRP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CCn2cncn2)C[C@H]1O)C1CCC1 ZINC001099879490 819820242 /nfs/dbraw/zinc/82/02/42/819820242.db2.gz KTECJPLWABBVBA-HUUCEWRRSA-N 2 0 336.440 -0.686 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[NH+](CCOCCO)C[C@@H]1O ZINC001099898454 819859736 /nfs/dbraw/zinc/85/97/36/819859736.db2.gz BWONSLRGSJDKEB-KGLIPLIRSA-N 2 0 331.457 -0.723 20 0 EBADRP O=C(N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O)c1ccn2c[nH+]cc2c1 ZINC001099907325 819894462 /nfs/dbraw/zinc/89/44/62/819894462.db2.gz ULTXBJMAFSPYEZ-HOTGVXAUSA-N 2 0 348.403 -0.492 20 0 EBADRP CC(C)(C(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O)[NH+]1CCCC1 ZINC001099942331 819953190 /nfs/dbraw/zinc/95/31/90/819953190.db2.gz PZFRIKFSUZFIKK-CABCVRRESA-N 2 0 343.468 -0.579 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCc2cnn(C)c2)C[C@H]1O ZINC001100063777 820144841 /nfs/dbraw/zinc/14/48/41/820144841.db2.gz CIBHFHUOXRGYDA-JKSUJKDBSA-N 2 0 337.468 -0.144 20 0 EBADRP O=C(N[C@H]1CC[N@@H+](CCOCC(F)F)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001100073914 820164332 /nfs/dbraw/zinc/16/43/32/820164332.db2.gz HJNBYWQHFIQSIQ-QWHCGFSZSA-N 2 0 347.406 -0.085 20 0 EBADRP COCCOCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100081386 820179037 /nfs/dbraw/zinc/17/90/37/820179037.db2.gz RGTXZYQUODRTAD-JKSUJKDBSA-N 2 0 345.484 -0.067 20 0 EBADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100127070 820260987 /nfs/dbraw/zinc/26/09/87/820260987.db2.gz RTLNUYMLLIEKCN-CVEARBPZSA-N 2 0 343.468 -0.577 20 0 EBADRP COCCOCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100131281 820267116 /nfs/dbraw/zinc/26/71/16/820267116.db2.gz AMKUTMHVMOEQLM-HUUCEWRRSA-N 2 0 331.457 -0.459 20 0 EBADRP COCCOCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100131282 820267692 /nfs/dbraw/zinc/26/76/92/820267692.db2.gz AMKUTMHVMOEQLM-LSDHHAIUSA-N 2 0 331.457 -0.459 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001100185581 820306341 /nfs/dbraw/zinc/30/63/41/820306341.db2.gz GOWRTCOUKDDIRH-BPCQOVAHSA-N 2 0 339.440 -0.589 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100378307 820386064 /nfs/dbraw/zinc/38/60/64/820386064.db2.gz VNDKCTNYUCCFHL-MCIGGMRASA-N 2 0 345.419 -0.654 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100383175 820392459 /nfs/dbraw/zinc/39/24/59/820392459.db2.gz ONPPUMYFXMJKHM-WXRRBKDZSA-N 2 0 339.440 -0.460 20 0 EBADRP C[NH+](C)CCC(=O)NCC1CC([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001100638304 820496241 /nfs/dbraw/zinc/49/62/41/820496241.db2.gz FVVGMMORFDCSDJ-NFOMZHRRSA-N 2 0 340.468 -0.425 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC1CC([NH2+]CCN2CCNC2=O)C1 ZINC001100676229 820507671 /nfs/dbraw/zinc/50/76/71/820507671.db2.gz LETQOUXVYAXBIQ-NFOMZHRRSA-N 2 0 337.468 -0.020 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1CC([NH2+]C[C@@H](O)COCCOC)C1 ZINC001100770483 820547102 /nfs/dbraw/zinc/54/71/02/820547102.db2.gz DSQSSKCLWOILLD-UYSNPLJNSA-N 2 0 345.484 -0.164 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCC2CC([NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001100804500 820557751 /nfs/dbraw/zinc/55/77/51/820557751.db2.gz PDSRNWSMUQWNLY-PIMMBPRGSA-N 2 0 338.452 -0.530 20 0 EBADRP CCOCCNC(=O)C[NH2+]C1CC(CNC(=O)CC[N@H+](C)CC)C1 ZINC001100829642 820564371 /nfs/dbraw/zinc/56/43/71/820564371.db2.gz DXALPXMXILGLGO-UHFFFAOYSA-N 2 0 342.484 -0.035 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001100831337 820564500 /nfs/dbraw/zinc/56/45/00/820564500.db2.gz RHLQNJBRCSVYMT-UHFFFAOYSA-N 2 0 339.440 -0.636 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC1CC([NH2+]CC(=O)NCC2CC2)C1 ZINC001100870414 820585565 /nfs/dbraw/zinc/58/55/65/820585565.db2.gz FSHJBDVPLANYMZ-UHFFFAOYSA-N 2 0 340.468 -0.425 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001100905102 820595382 /nfs/dbraw/zinc/59/53/82/820595382.db2.gz WOUSNUYRJKAGSN-HIFPTAJRSA-N 2 0 341.456 -0.343 20 0 EBADRP NC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001100922595 820605154 /nfs/dbraw/zinc/60/51/54/820605154.db2.gz MGRBCKPJWCEZHX-PPUFBPAQSA-N 2 0 337.424 -0.848 20 0 EBADRP CCN1CCO[C@@H](C(=O)NCCNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001292816064 820623274 /nfs/dbraw/zinc/62/32/74/820623274.db2.gz PUPRCWIIAXBHOE-UMVBOHGHSA-N 2 0 349.435 -0.523 20 0 EBADRP C[NH+](C)CC1(C(=O)N2C[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@]3(C)C2)CC1 ZINC001101342893 820759423 /nfs/dbraw/zinc/75/94/23/820759423.db2.gz SNIDXPNSOZXLLT-KEYYUXOJSA-N 2 0 334.464 -0.003 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@H]2C[NH+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101418481 820784804 /nfs/dbraw/zinc/78/48/04/820784804.db2.gz UKJXPWLPNJWGHC-WBMJQRKESA-N 2 0 339.440 -0.697 20 0 EBADRP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001101432375 820789757 /nfs/dbraw/zinc/78/97/57/820789757.db2.gz OYILIEGJFDUJKH-KEYYUXOJSA-N 2 0 338.452 -0.767 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001294767295 820993501 /nfs/dbraw/zinc/99/35/01/820993501.db2.gz COAKERHVQUQRPS-HNNXBMFYSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CCn1ccnc1 ZINC001102205309 821045918 /nfs/dbraw/zinc/04/59/18/821045918.db2.gz VUJCZXOSGAHUFH-MCIONIFRSA-N 2 0 347.419 -0.238 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(=O)NC(N)=O)C[C@H]2C)C1 ZINC001102369997 821081994 /nfs/dbraw/zinc/08/19/94/821081994.db2.gz NBWPKCQILFDCDM-JHJVBQTASA-N 2 0 339.440 -0.793 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102601045 821170867 /nfs/dbraw/zinc/17/08/67/821170867.db2.gz HUZDANDQPNZLQP-FRRDWIJNSA-N 2 0 341.456 -0.406 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+]CCOCCO ZINC001104908447 821564059 /nfs/dbraw/zinc/56/40/59/821564059.db2.gz XHZUBHZDLQMRHB-HZPDHXFCSA-N 2 0 345.484 -0.352 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001105016907 821571520 /nfs/dbraw/zinc/57/15/20/821571520.db2.gz GGCJYZGXYAUNIF-RBSFLKMASA-N 2 0 340.468 -0.486 20 0 EBADRP C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105361228 821719026 /nfs/dbraw/zinc/71/90/26/821719026.db2.gz UMSLVCGXSTZIDV-QWHCGFSZSA-N 2 0 336.440 -0.526 20 0 EBADRP C[N@H+](CCCNC(=O)C(C)(C)C[NH+]1CCOCC1)[C@H]1CCNC1=O ZINC001316836433 821878119 /nfs/dbraw/zinc/87/81/19/821878119.db2.gz YCKVERRIZKNZCR-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP CCNC(=O)NC(=O)C[N@H+](C)CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001316850290 821887549 /nfs/dbraw/zinc/88/75/49/821887549.db2.gz DLFWELVOBJVTSJ-ZDUSSCGKSA-N 2 0 341.456 -0.388 20 0 EBADRP C[C@H](O)C[NH+]1CCN(CCCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001316959473 821940895 /nfs/dbraw/zinc/94/08/95/821940895.db2.gz KDUQIWLKRRQAFE-HNNXBMFYSA-N 2 0 326.485 -0.167 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCCCN2CC[NH+](CCCO)CC2)C1 ZINC001316961923 821943634 /nfs/dbraw/zinc/94/36/34/821943634.db2.gz GAIGFSNEYLOWAH-MRXNPFEDSA-N 2 0 326.485 -0.166 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001317063051 821990543 /nfs/dbraw/zinc/99/05/43/821990543.db2.gz YDOVLZIKUHBKNV-KBPBESRZSA-N 2 0 331.482 -0.047 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001317104905 822003478 /nfs/dbraw/zinc/00/34/78/822003478.db2.gz KQVCPUPQRZGVBV-KBXIAJHMSA-N 2 0 340.468 -0.141 20 0 EBADRP CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)[NH+](C)C ZINC001317212952 822038349 /nfs/dbraw/zinc/03/83/49/822038349.db2.gz HHYXWEKKTCDGLK-FMKNKJFCSA-N 2 0 336.436 -0.576 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317240317 822043414 /nfs/dbraw/zinc/04/34/14/822043414.db2.gz FUDGBOVPSBPYFC-YNEHKIRRSA-N 2 0 334.486 -0.640 20 0 EBADRP CC(=O)NCCOCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001317955673 822235523 /nfs/dbraw/zinc/23/55/23/822235523.db2.gz YKOJCIKCLDAAHP-MRXNPFEDSA-N 2 0 340.468 -0.185 20 0 EBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001106597601 822294000 /nfs/dbraw/zinc/29/40/00/822294000.db2.gz DBSYQHYDNVFOAD-CHWSQXEVSA-N 2 0 338.456 -0.366 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC001106622982 822301531 /nfs/dbraw/zinc/30/15/31/822301531.db2.gz AWLAMYSOPQNDQE-BZUAXINKSA-N 2 0 337.468 -0.120 20 0 EBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C)C(N)=O ZINC001106808704 822334680 /nfs/dbraw/zinc/33/46/80/822334680.db2.gz UNNBVVOELMBCJJ-MGPQQGTHSA-N 2 0 340.468 -0.345 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001106878675 822346695 /nfs/dbraw/zinc/34/66/95/822346695.db2.gz WYHWPLIPOBYRNK-ZIAGYGMSSA-N 2 0 328.457 -0.663 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001128779441 828525746 /nfs/dbraw/zinc/52/57/46/828525746.db2.gz WRRKZMVWVQNQFK-GJZGRUSLSA-N 2 0 340.468 -0.450 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001128778755 828525769 /nfs/dbraw/zinc/52/57/69/828525769.db2.gz LNWHZQRERWHZKI-CQSZACIVSA-N 2 0 346.497 -0.398 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106984122 823712580 /nfs/dbraw/zinc/71/25/80/823712580.db2.gz ZATKARCAZPIURC-ZIAGYGMSSA-N 2 0 346.497 -0.685 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)[C@H](C)C1 ZINC001107040504 823720540 /nfs/dbraw/zinc/72/05/40/823720540.db2.gz HOXQVIBGEISLLU-MCIONIFRSA-N 2 0 338.452 -0.184 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129328454 828598374 /nfs/dbraw/zinc/59/83/74/828598374.db2.gz PMSAOPKXCLIOOV-INIZCTEOSA-N 2 0 342.484 -0.177 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C1([NH+](C)C)CCC1)C(=O)NC[C@@H]1CCCO1 ZINC001129364326 828605574 /nfs/dbraw/zinc/60/55/74/828605574.db2.gz SKHINNLIFWOBJE-KBPBESRZSA-N 2 0 340.468 -0.140 20 0 EBADRP O=C(NCC[NH2+][C@H]1CCCNC1=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364161 828606147 /nfs/dbraw/zinc/60/61/47/828606147.db2.gz QFWNCIPSMQKAMT-GJZGRUSLSA-N 2 0 338.452 -0.386 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1n1ccnn1 ZINC001129400684 828613039 /nfs/dbraw/zinc/61/30/39/828613039.db2.gz XAZVQRWXMRVUDP-CABCVRRESA-N 2 0 338.456 -0.266 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]CC(=O)NC1CCOCC1)C1CC1 ZINC001129435558 828619242 /nfs/dbraw/zinc/61/92/42/828619242.db2.gz HKNFCKABFMVXNK-HNNXBMFYSA-N 2 0 326.441 -0.672 20 0 EBADRP C[NH+](C)CCOCC(=O)NC[C@]1(C)C[N@H+](C[C@@H]2CCOC2)CCO1 ZINC001108342194 824228845 /nfs/dbraw/zinc/22/88/45/824228845.db2.gz CPBCVQLLARNERS-DOTOQJQBSA-N 2 0 343.468 -0.192 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C[N@H+](C)C2CCC2)C[C@H](C)O1 ZINC001129535049 828632328 /nfs/dbraw/zinc/63/23/28/828632328.db2.gz HPMGHRNPMFWBJF-OKILXGFUSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)C[N@H+](C)C2CCC2)C[C@H](C)O1 ZINC001129535048 828632369 /nfs/dbraw/zinc/63/23/69/828632369.db2.gz HPMGHRNPMFWBJF-KBPBESRZSA-N 2 0 340.468 -0.188 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129531686 828630974 /nfs/dbraw/zinc/63/09/74/828630974.db2.gz FUUSIOMZZNXIDR-UHFFFAOYSA-N 2 0 334.486 -0.494 20 0 EBADRP C[N@H+](CC(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)C1CCC1 ZINC001129531636 828631391 /nfs/dbraw/zinc/63/13/91/828631391.db2.gz CUGUCLJGEVWBPJ-UHFFFAOYSA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC001129840757 828680486 /nfs/dbraw/zinc/68/04/86/828680486.db2.gz IYXRLQFXLKJTEX-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129846489 828680565 /nfs/dbraw/zinc/68/05/65/828680565.db2.gz QRFVIQCDUBAPJD-NWDGAFQWSA-N 2 0 327.429 -0.589 20 0 EBADRP COCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1n1ccnn1 ZINC001129925196 828695282 /nfs/dbraw/zinc/69/52/82/828695282.db2.gz SRONOWGSGXCNTC-CABCVRRESA-N 2 0 348.451 -0.106 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129950449 828699634 /nfs/dbraw/zinc/69/96/34/828699634.db2.gz USCNROWSEYXPJM-AWEZNQCLSA-N 2 0 343.472 -0.096 20 0 EBADRP CN(CC[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)S(C)(=O)=O ZINC001130187462 828750606 /nfs/dbraw/zinc/75/06/06/828750606.db2.gz VRCQDTSPJKSJLN-KGLIPLIRSA-N 2 0 346.497 -0.400 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)[NH+](C)C ZINC001130201253 828753679 /nfs/dbraw/zinc/75/36/79/828753679.db2.gz ZMILSGZVAWXZAP-NWDGAFQWSA-N 2 0 329.445 -0.345 20 0 EBADRP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130230763 828761558 /nfs/dbraw/zinc/76/15/58/828761558.db2.gz UYZKIOTZVVNJHG-AWEZNQCLSA-N 2 0 342.484 -0.035 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001130300953 828777174 /nfs/dbraw/zinc/77/71/74/828777174.db2.gz YXFNBEONLNVDSW-UONOGXRCSA-N 2 0 326.441 -0.840 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001130296915 828777271 /nfs/dbraw/zinc/77/72/71/828777271.db2.gz FBEZGXIEFUYZQN-ZIAGYGMSSA-N 2 0 326.441 -0.528 20 0 EBADRP Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)[C@@H]3CCCC[N@@H+]3C)C2=O)n1 ZINC001130304197 828778273 /nfs/dbraw/zinc/77/82/73/828778273.db2.gz XKWIVXHROZKDLU-KGLIPLIRSA-N 2 0 348.451 -0.285 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001130422141 828830452 /nfs/dbraw/zinc/83/04/52/828830452.db2.gz XYGIWMXLZYBGOU-NSHDSACASA-N 2 0 341.456 -0.201 20 0 EBADRP CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001179799770 833011576 /nfs/dbraw/zinc/01/15/76/833011576.db2.gz UDSBFBWHZQANIL-YDHLFZDLSA-N 2 0 340.468 -0.189 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)[C@@H]1C ZINC001179860980 833019118 /nfs/dbraw/zinc/01/91/18/833019118.db2.gz FYVRKMYKCHCLGP-KBPBESRZSA-N 2 0 325.457 -0.068 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)[C@@H]1C ZINC001179852513 833017336 /nfs/dbraw/zinc/01/73/36/833017336.db2.gz SPHYXJLWHQMBMU-AGIUHOORSA-N 2 0 341.456 -0.249 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114353385 826211723 /nfs/dbraw/zinc/21/17/23/826211723.db2.gz RKLMSJGSANXZJI-LJISPDSOSA-N 2 0 331.432 -0.278 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001179983392 833031948 /nfs/dbraw/zinc/03/19/48/833031948.db2.gz ZQJNNPAVEUGCIL-AGIUHOORSA-N 2 0 341.456 -0.119 20 0 EBADRP CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001114746306 826331335 /nfs/dbraw/zinc/33/13/35/826331335.db2.gz PTDGIJSXULNMGC-LJISPDSOSA-N 2 0 334.464 -0.005 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180123793 833045120 /nfs/dbraw/zinc/04/51/20/833045120.db2.gz BQZKSFHHKXWAML-AVGNSLFASA-N 2 0 339.440 -0.637 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001115080668 826415643 /nfs/dbraw/zinc/41/56/43/826415643.db2.gz BYZCPMMTDJHUFZ-AIANPOQGSA-N 2 0 335.452 -0.368 20 0 EBADRP C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001115143675 826433058 /nfs/dbraw/zinc/43/30/58/826433058.db2.gz JFTWYWSSGHJECL-FOLVSLTJSA-N 2 0 337.468 -0.210 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001115300048 826501593 /nfs/dbraw/zinc/50/15/93/826501593.db2.gz JYOKSZOWKZRJBZ-LAQFHYBYSA-N 2 0 336.436 -0.478 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001115300267 826502297 /nfs/dbraw/zinc/50/22/97/826502297.db2.gz OMOOULZYTLMSEB-LJIGWXMPSA-N 2 0 335.452 -0.369 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCCCCC[NH2+]CC(N)=O ZINC001180278508 833068619 /nfs/dbraw/zinc/06/86/19/833068619.db2.gz IMCSLKWFQSWAHZ-CQSZACIVSA-N 2 0 328.457 -0.294 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCCCCCNC(=O)C[NH+]1CCCC1 ZINC001180279123 833068958 /nfs/dbraw/zinc/06/89/58/833068958.db2.gz XSEYFNIMRGVXQN-UHFFFAOYSA-N 2 0 348.513 -0.102 20 0 EBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CCc1ccc(S(N)(=O)=O)cc1 ZINC001180381697 833078633 /nfs/dbraw/zinc/07/86/33/833078633.db2.gz MOGOTEUPFAXANB-UHFFFAOYSA-N 2 0 341.437 -0.272 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC001118287394 826898888 /nfs/dbraw/zinc/89/88/88/826898888.db2.gz YHLIXBRMVSWQHX-UHFFFAOYSA-N 2 0 335.470 -0.762 20 0 EBADRP COCC[N@H+](C)C[C@@H](O)CN1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC001118367983 826919031 /nfs/dbraw/zinc/91/90/31/826919031.db2.gz FRHXYNULAIRTTR-IAGOWNOFSA-N 2 0 328.501 -0.363 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001118547441 826957270 /nfs/dbraw/zinc/95/72/70/826957270.db2.gz WWMRTSISQFBFSH-CYBMUJFWSA-N 2 0 326.441 -0.589 20 0 EBADRP O=C(NCC12CC(C1)C[NH2+]2)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001118552851 826958999 /nfs/dbraw/zinc/95/89/99/826958999.db2.gz MXJYFOVCNREXAI-KDJCLPLCSA-N 2 0 336.436 -0.776 20 0 EBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)NCC34CC(C3)C[NH2+]4)CC2)CC1 ZINC001119365723 827102935 /nfs/dbraw/zinc/10/29/35/827102935.db2.gz WTDWXZBYBNGWJM-UHFFFAOYSA-N 2 0 349.479 -0.907 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCNCC[NH2+]CC2)C1 ZINC001120473994 827230161 /nfs/dbraw/zinc/23/01/61/827230161.db2.gz BHTYYBOJKZMJSK-HNNXBMFYSA-N 2 0 327.473 -0.452 20 0 EBADRP CN(CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1)S(C)(=O)=O ZINC001181652100 833170662 /nfs/dbraw/zinc/17/06/62/833170662.db2.gz IVNSRYRSTXPYOV-OLZOCXBDSA-N 2 0 332.470 -0.838 20 0 EBADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001181652779 833171090 /nfs/dbraw/zinc/17/10/90/833171090.db2.gz PNHJKUYGLQQVPE-KGLIPLIRSA-N 2 0 325.457 -0.021 20 0 EBADRP C[NH+]1CCC(O)(C(=O)N(c2ccc(C[NH3+])cc2)S(C)(=O)=O)CC1 ZINC001182031744 833195259 /nfs/dbraw/zinc/19/52/59/833195259.db2.gz DCNSCXJJBCEHES-UHFFFAOYSA-N 2 0 341.433 -0.105 20 0 EBADRP COC[C@H](O)C[NH2+]C1CC2(CC(NC(=O)COCC[NH+](C)C)C2)C1 ZINC001122063929 827513922 /nfs/dbraw/zinc/51/39/22/827513922.db2.gz PEZFXGGRCAZXNZ-UKEPKTAJSA-N 2 0 343.468 -0.411 20 0 EBADRP CCC[N@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CC(=O)NC(N)=O)C2 ZINC001122107044 827522353 /nfs/dbraw/zinc/52/23/53/827522353.db2.gz YGDHJLSCEWPKAC-UHFFFAOYSA-N 2 0 339.440 -0.460 20 0 EBADRP C[NH+]1CCN(c2cc(C(=O)N3CCNCC[NH2+]CC3)ccn2)CC1 ZINC001122200818 827544600 /nfs/dbraw/zinc/54/46/00/827544600.db2.gz PMFVCPMIOYYNOW-UHFFFAOYSA-N 2 0 332.452 -0.532 20 0 EBADRP Cc1cc(N2CC[C@H]([NH2+]CCNC(=O)[C@@H]3CCC[N@@H+]3C)C2=O)n(C)n1 ZINC001124867420 827969258 /nfs/dbraw/zinc/96/92/58/827969258.db2.gz VQNMLYMLVALILV-KBPBESRZSA-N 2 0 348.451 -0.366 20 0 EBADRP Cn1cc(N2CCC[C@H]([NH2+]CCNC(=O)[C@H]3CCC[N@@H+]3C)C2=O)cn1 ZINC001124867137 827969322 /nfs/dbraw/zinc/96/93/22/827969322.db2.gz SIWLKZPCEQFVMX-LSDHHAIUSA-N 2 0 348.451 -0.285 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@]1(C)C[NH2+]Cc1nnnn1C ZINC001183175584 833282965 /nfs/dbraw/zinc/28/29/65/833282965.db2.gz FLUXHPUSVSLXAK-CZUORRHYSA-N 2 0 347.467 -0.120 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2cnccn2)C1)C1CC1 ZINC001183267247 833285308 /nfs/dbraw/zinc/28/53/08/833285308.db2.gz KNVCSXLPNOCUIM-CJNGLKHVSA-N 2 0 346.435 -0.054 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001183288295 833285610 /nfs/dbraw/zinc/28/56/10/833285610.db2.gz CCNLCGVGVABSQN-VXGBXAGGSA-N 2 0 339.440 -0.495 20 0 EBADRP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001183449896 833290817 /nfs/dbraw/zinc/29/08/17/833290817.db2.gz HDIZTNKMFYSAHB-OLZOCXBDSA-N 2 0 334.486 -0.688 20 0 EBADRP CN(CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1)c1cc[nH+]cc1 ZINC001183818103 833307514 /nfs/dbraw/zinc/30/75/14/833307514.db2.gz WKBMYTVTBUOHDC-UKRRQHHQSA-N 2 0 331.420 -0.013 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127060791 828246824 /nfs/dbraw/zinc/24/68/24/828246824.db2.gz HKAWVNVFHFVSKQ-STQMWFEESA-N 2 0 341.456 -0.201 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127256649 828269379 /nfs/dbraw/zinc/26/93/79/828269379.db2.gz QIOQWBULAUKQJR-GJZGRUSLSA-N 2 0 340.468 -0.281 20 0 EBADRP CN(CC[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1)S(C)(=O)=O ZINC001127257465 828269623 /nfs/dbraw/zinc/26/96/23/828269623.db2.gz YLBLPEUMVZZSRK-UONOGXRCSA-N 2 0 346.497 -0.542 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127257231 828269985 /nfs/dbraw/zinc/26/99/85/828269985.db2.gz WQAOWJJNKNLDEE-RYUDHWBXSA-N 2 0 325.413 -0.978 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127257229 828270106 /nfs/dbraw/zinc/27/01/06/828270106.db2.gz WQAOWJJNKNLDEE-NEPJUHHUSA-N 2 0 325.413 -0.978 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001127327893 828280206 /nfs/dbraw/zinc/28/02/06/828280206.db2.gz ZXNNPSMPDFYTSP-UHFFFAOYSA-N 2 0 348.513 -0.104 20 0 EBADRP CCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127481922 828298076 /nfs/dbraw/zinc/29/80/76/828298076.db2.gz ZJHZRWAHMACFHG-AWEZNQCLSA-N 2 0 331.482 -0.141 20 0 EBADRP Cn1cc(CC[NH2+]CCNC(=O)c2ccn(CC[NH+](C)C)n2)cn1 ZINC001127558121 828302541 /nfs/dbraw/zinc/30/25/41/828302541.db2.gz DNRIASXVUSXOBA-UHFFFAOYSA-N 2 0 333.440 -0.260 20 0 EBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC[NH2+][C@@H]2CCNC2=O)CC1 ZINC001127570945 828303413 /nfs/dbraw/zinc/30/34/13/828303413.db2.gz GTEJYAKICRZVPD-KFWWJZLASA-N 2 0 338.452 -0.672 20 0 EBADRP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127563524 828303715 /nfs/dbraw/zinc/30/37/15/828303715.db2.gz ZRQRDGLGDGXQDT-ZDUSSCGKSA-N 2 0 338.456 -0.321 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001127643555 828309069 /nfs/dbraw/zinc/30/90/69/828309069.db2.gz AKGMHJADVBDTQV-VXGBXAGGSA-N 2 0 341.456 -0.343 20 0 EBADRP COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127643695 828309761 /nfs/dbraw/zinc/30/97/61/828309761.db2.gz HIBQZJPHBXLIFV-ZIAGYGMSSA-N 2 0 349.497 -0.516 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC(=O)NC1CC1 ZINC001127659415 828311756 /nfs/dbraw/zinc/31/17/56/828311756.db2.gz AFQAJDZTTUTVRW-NQBHXWOUSA-N 2 0 339.440 -0.591 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2cnccn2)CC[N@@H+]1C ZINC001127695451 828314040 /nfs/dbraw/zinc/31/40/40/828314040.db2.gz LZWGVZDPAGGGQT-QWHCGFSZSA-N 2 0 334.424 -0.149 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127690517 828314212 /nfs/dbraw/zinc/31/42/12/828314212.db2.gz LQDOOMRAGVABAJ-RWMBFGLXSA-N 2 0 341.456 -0.343 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127695215 828314578 /nfs/dbraw/zinc/31/45/78/828314578.db2.gz FJGSTYHKHSKLDH-NWDGAFQWSA-N 2 0 327.429 -0.732 20 0 EBADRP NC(=O)c1cccc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC001127779715 828328865 /nfs/dbraw/zinc/32/88/65/828328865.db2.gz QWZNVESTXBCSAI-JKSUJKDBSA-N 2 0 346.431 -0.146 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)NCC1CCC1 ZINC001127780452 828330990 /nfs/dbraw/zinc/33/09/90/828330990.db2.gz ZBBANFASHFJHHE-LSDHHAIUSA-N 2 0 338.452 -0.528 20 0 EBADRP CCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127786000 828331418 /nfs/dbraw/zinc/33/14/18/828331418.db2.gz UHRZVACWBMDDBX-ZIAGYGMSSA-N 2 0 347.481 -0.620 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001184292035 833326148 /nfs/dbraw/zinc/32/61/48/833326148.db2.gz HCGXYZIBHBHKBS-LLVKDONJSA-N 2 0 330.348 -0.667 20 0 EBADRP CN(CCC(=O)NCC[NH2+]CCN1C(=O)CNC1=O)c1cc[nH+]cc1 ZINC001130558674 828882605 /nfs/dbraw/zinc/88/26/05/828882605.db2.gz JVBIRMAWBBPOKE-UHFFFAOYSA-N 2 0 348.407 -0.835 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130810316 828945043 /nfs/dbraw/zinc/94/50/43/828945043.db2.gz QSNUOWSKZRLAPB-NSHDSACASA-N 2 0 325.413 -0.835 20 0 EBADRP O=C(C[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1)NC[C@@H]1CCCO1 ZINC001130867493 828983381 /nfs/dbraw/zinc/98/33/81/828983381.db2.gz HDOGREONWOWUJP-HNNXBMFYSA-N 2 0 345.403 -0.051 20 0 EBADRP CO[C@@H]1C[C@@H](Cn2ccc(NC(=O)CC[NH+](C)C)n2)[N@H+](CCO)C1 ZINC001130880999 828986367 /nfs/dbraw/zinc/98/63/67/828986367.db2.gz YGTJWNFMSXAHCE-UONOGXRCSA-N 2 0 339.440 -0.145 20 0 EBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185085888 833346583 /nfs/dbraw/zinc/34/65/83/833346583.db2.gz NMEIQTBIIZXQME-RYUDHWBXSA-N 2 0 327.429 -0.793 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131062127 829036160 /nfs/dbraw/zinc/03/61/60/829036160.db2.gz XSGQGPXDOGHHPQ-CHWSQXEVSA-N 2 0 336.440 -0.998 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001185250025 833351567 /nfs/dbraw/zinc/35/15/67/833351567.db2.gz BRSGYSNDOVYFTQ-LSDHHAIUSA-N 2 0 334.468 -0.351 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001185261518 833352888 /nfs/dbraw/zinc/35/28/88/833352888.db2.gz GVBAPUHGEWRPPQ-MRXNPFEDSA-N 2 0 332.448 -0.011 20 0 EBADRP O=C(NCC[NH2+]CCN1CCNC1=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001131196549 829070221 /nfs/dbraw/zinc/07/02/21/829070221.db2.gz KSDOESWMXAWVMN-UHFFFAOYSA-N 2 0 343.391 -0.388 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185384990 833357189 /nfs/dbraw/zinc/35/71/89/833357189.db2.gz JKESJDJCUIYPKT-DGCLKSJQSA-N 2 0 339.440 -0.637 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185385978 833357242 /nfs/dbraw/zinc/35/72/42/833357242.db2.gz YOLHFOUXKLJPOZ-NWDGAFQWSA-N 2 0 327.429 -0.637 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185447173 833358709 /nfs/dbraw/zinc/35/87/09/833358709.db2.gz XCFUZCHBGIZAAS-GDBMZVCRSA-N 2 0 342.484 -0.084 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001185550565 833361004 /nfs/dbraw/zinc/36/10/04/833361004.db2.gz UUGZGRJNNZSDOW-STQMWFEESA-N 2 0 341.456 -0.403 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131370134 829116868 /nfs/dbraw/zinc/11/68/68/829116868.db2.gz FGUQBQGRZHCMDX-NSHDSACASA-N 2 0 346.391 -0.112 20 0 EBADRP Cn1ccc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)cc1=O ZINC001131519613 829150738 /nfs/dbraw/zinc/15/07/38/829150738.db2.gz HOPYIRGWYPVNLY-CSLYMUCUSA-N 2 0 346.431 -0.546 20 0 EBADRP CN(C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CC1 ZINC001131519635 829151103 /nfs/dbraw/zinc/15/11/03/829151103.db2.gz IDZYPMOCSIEYLH-KDJCLPLCSA-N 2 0 336.436 -0.824 20 0 EBADRP COCCOCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519904 829151993 /nfs/dbraw/zinc/15/19/93/829151993.db2.gz NHKRWGNDAKAICX-NPCAHTBFSA-N 2 0 327.425 -0.782 20 0 EBADRP Cc1noc(CCC[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)n1 ZINC001131520021 829152100 /nfs/dbraw/zinc/15/21/00/829152100.db2.gz RDBYUQAEWKHGTG-UUCFBXCCSA-N 2 0 349.435 -0.120 20 0 EBADRP COc1nccc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)n1 ZINC001131519945 829152375 /nfs/dbraw/zinc/15/23/75/829152375.db2.gz OUBPLEHPMXERBE-TVIZTDCDSA-N 2 0 347.419 -0.446 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C(=O)NC1CC1 ZINC001131521866 829153812 /nfs/dbraw/zinc/15/38/12/829153812.db2.gz JZJHGIVAIXROSG-ROBSIFSHSA-N 2 0 336.436 -0.778 20 0 EBADRP O=C(NCC[NH2+]CCO[C@H]1CC1(F)F)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131522275 829153854 /nfs/dbraw/zinc/15/38/54/829153854.db2.gz ZTKZEWAZRWZZEK-ICRTXTNUSA-N 2 0 345.390 -0.020 20 0 EBADRP O=C(NCC[NH2+]CCN1CCCC1=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131522075 829154420 /nfs/dbraw/zinc/15/44/20/829154420.db2.gz RPBOLXJMNQYHHN-XOYHFGRZSA-N 2 0 336.436 -0.822 20 0 EBADRP Cc1cnc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)cn1 ZINC001131521585 829154550 /nfs/dbraw/zinc/15/45/50/829154550.db2.gz CCSCGWDHCVMZSL-GNHJJJEISA-N 2 0 331.420 -0.146 20 0 EBADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001185743502 833369247 /nfs/dbraw/zinc/36/92/47/833369247.db2.gz USRCPXCYNXSRAG-BZUAXINKSA-N 2 0 343.468 -0.315 20 0 EBADRP C[N@H+](CCC(=O)NCC[NH2+]CC(=O)NC(N)=O)C1CCCCC1 ZINC001131815754 829227725 /nfs/dbraw/zinc/22/77/25/829227725.db2.gz RWYFGSDVOMJWJF-UHFFFAOYSA-N 2 0 327.429 -0.458 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131844225 829243217 /nfs/dbraw/zinc/24/32/17/829243217.db2.gz DGFFDJJZHBTPQW-LBPRGKRZSA-N 2 0 341.456 -0.199 20 0 EBADRP COC(=O)[C@H]1CC[N@H+](CC(=O)N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001186117238 833389842 /nfs/dbraw/zinc/38/98/42/833389842.db2.gz VLTIXXQPZGZEAK-IHRRRGAJSA-N 2 0 339.436 -0.021 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)cn1 ZINC001186234066 833393063 /nfs/dbraw/zinc/39/30/63/833393063.db2.gz GFGVXZBLUVGUIJ-OAHLLOKOSA-N 2 0 339.440 -0.742 20 0 EBADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001186234075 833393126 /nfs/dbraw/zinc/39/31/26/833393126.db2.gz GTZGWYHAUGUGDG-GXTWGEPZSA-N 2 0 336.440 -0.617 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001186458171 833402209 /nfs/dbraw/zinc/40/22/09/833402209.db2.gz GTULQCFKAMFEAJ-GFCCVEGCSA-N 2 0 327.429 -0.636 20 0 EBADRP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CCN1CCNC1=O ZINC001132277111 829404921 /nfs/dbraw/zinc/40/49/21/829404921.db2.gz AWICVNFKIFWNAU-ZIAGYGMSSA-N 2 0 325.457 -0.068 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132284033 829406034 /nfs/dbraw/zinc/40/60/34/829406034.db2.gz SXSPIKXFBUIRFO-UHFFFAOYSA-N 2 0 327.429 -0.588 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132283703 829406109 /nfs/dbraw/zinc/40/61/09/829406109.db2.gz DQINQBZIXLKQCX-AWEZNQCLSA-N 2 0 331.457 -0.410 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001132739241 829513125 /nfs/dbraw/zinc/51/31/25/829513125.db2.gz NZFMAMUVWNVJGP-CYBMUJFWSA-N 2 0 334.486 -0.637 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001132742808 829513502 /nfs/dbraw/zinc/51/35/02/829513502.db2.gz IRRFLDVRVAMWTK-CQSZACIVSA-N 2 0 338.452 -0.037 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCN2CCCC2=O)C1 ZINC001132848402 829535193 /nfs/dbraw/zinc/53/51/93/829535193.db2.gz HKIXFBYIRIODSW-CQSZACIVSA-N 2 0 326.441 -0.576 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCCC2)C1 ZINC001132852065 829536365 /nfs/dbraw/zinc/53/63/65/829536365.db2.gz GRSAJFILHYENQM-CQSZACIVSA-N 2 0 326.441 -0.576 20 0 EBADRP CC(C)COC[C@H](O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132853330 829537866 /nfs/dbraw/zinc/53/78/66/829537866.db2.gz ZLRJNGVRTBZPSH-HZPDHXFCSA-N 2 0 345.484 -0.165 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132883735 829545099 /nfs/dbraw/zinc/54/50/99/829545099.db2.gz WYJKHGWDQNXRKE-AVGNSLFASA-N 2 0 341.456 -0.343 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C)C[C@@H](C)O1 ZINC001133051652 829577509 /nfs/dbraw/zinc/57/75/09/829577509.db2.gz JWAIMYQBBBNAEG-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001133246563 829610629 /nfs/dbraw/zinc/61/06/29/829610629.db2.gz YZIIARSDDNDBDK-GJZGRUSLSA-N 2 0 342.484 -0.225 20 0 EBADRP C[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)CC1 ZINC001133286979 829615916 /nfs/dbraw/zinc/61/59/16/829615916.db2.gz AQFUJOVYNAGMQM-AWEZNQCLSA-N 2 0 326.441 -0.671 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)NC(=O)NCC(F)(F)F ZINC001133290975 829616175 /nfs/dbraw/zinc/61/61/75/829616175.db2.gz GRGSUFAWJHWYEP-UHFFFAOYSA-N 2 0 341.334 -0.968 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C1CC[NH+](C)CC1)C(=O)NC(=O)NC1CC1 ZINC001133286116 829616307 /nfs/dbraw/zinc/61/63/07/829616307.db2.gz XXTRYOOLBMYOLW-NSHDSACASA-N 2 0 339.440 -0.589 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]C[C@H](O)COCCOC)C1 ZINC001186834984 833432633 /nfs/dbraw/zinc/43/26/33/833432633.db2.gz ZJBKVWKHNLOYDN-CABCVRRESA-N 2 0 331.457 -0.457 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001186834611 833432675 /nfs/dbraw/zinc/43/26/75/833432675.db2.gz SGYIFGVPFFJJGN-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001186833217 833432954 /nfs/dbraw/zinc/43/29/54/833432954.db2.gz BMQRIDKGEKKCOK-CQSZACIVSA-N 2 0 348.513 -0.200 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+]CCN1C(=O)CCC1=O)[NH+](CC)CC ZINC001133690416 829662025 /nfs/dbraw/zinc/66/20/25/829662025.db2.gz KVYREYYGYXXMIY-ZDUSSCGKSA-N 2 0 326.441 -0.038 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O)[NH+](CC)CC ZINC001133690493 829662405 /nfs/dbraw/zinc/66/24/05/829662405.db2.gz MZNWXWXWOHSBJV-CYBMUJFWSA-N 2 0 341.456 -0.246 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001133823916 829681276 /nfs/dbraw/zinc/68/12/76/829681276.db2.gz SEUHABIQBNJJSP-ZDUSSCGKSA-N 2 0 334.486 -0.542 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001133845534 829685692 /nfs/dbraw/zinc/68/56/92/829685692.db2.gz IETZTHKKCHBEGV-KBPBESRZSA-N 2 0 346.497 -0.685 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001133850363 829686598 /nfs/dbraw/zinc/68/65/98/829686598.db2.gz LMAWWNOWQLSJNY-GFCCVEGCSA-N 2 0 339.440 -0.636 20 0 EBADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCC[NH2+]CCS(C)(=O)=O)C1 ZINC001133849601 829686927 /nfs/dbraw/zinc/68/69/27/829686927.db2.gz AJMXOACUAOQQCM-AWEZNQCLSA-N 2 0 337.461 -0.051 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133849814 829687016 /nfs/dbraw/zinc/68/70/16/829687016.db2.gz DXJVHEUBQBNSPH-OLZOCXBDSA-N 2 0 341.456 -0.343 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133869309 829690480 /nfs/dbraw/zinc/69/04/80/829690480.db2.gz DBXDFWMBANHZOA-CHWSQXEVSA-N 2 0 334.486 -0.781 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1nncs1 ZINC001133870726 829691365 /nfs/dbraw/zinc/69/13/65/829691365.db2.gz VQMCFWLXBXATRM-VHSXEESVSA-N 2 0 326.426 -0.620 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133869311 829691471 /nfs/dbraw/zinc/69/14/71/829691471.db2.gz DBXDFWMBANHZOA-QWHCGFSZSA-N 2 0 334.486 -0.781 20 0 EBADRP C[NH+](C)CCc1ccc(C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)cc1 ZINC001133893558 829694931 /nfs/dbraw/zinc/69/49/31/829694931.db2.gz KNHPBOIOJKHNGS-OAHLLOKOSA-N 2 0 346.431 -0.085 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133896268 829695510 /nfs/dbraw/zinc/69/55/10/829695510.db2.gz GCRMVLCELLLGDR-LBPRGKRZSA-N 2 0 343.472 -0.096 20 0 EBADRP C[N@H+](CC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1)CC(C)(C)C ZINC001133918146 829700318 /nfs/dbraw/zinc/70/03/18/829700318.db2.gz RJEOMNHMUISFMZ-AWEZNQCLSA-N 2 0 325.457 -0.072 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)NCCCOC(C)C)[NH+](C)C ZINC001133968037 829707635 /nfs/dbraw/zinc/70/76/35/829707635.db2.gz LKIXIYKOSKOLGS-AWEZNQCLSA-N 2 0 330.473 -0.036 20 0 EBADRP CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C ZINC001133968366 829707963 /nfs/dbraw/zinc/70/79/63/829707963.db2.gz WKRZIZDHZNEONI-KBPBESRZSA-N 2 0 330.473 -0.036 20 0 EBADRP CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001186934398 833441333 /nfs/dbraw/zinc/44/13/33/833441333.db2.gz GWFVRMXIOXYHJE-WDEREUQCSA-N 2 0 343.428 -0.013 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583194 829797261 /nfs/dbraw/zinc/79/72/61/829797261.db2.gz GTUYRNZDMKMEBU-RYUDHWBXSA-N 2 0 338.456 -0.034 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001134613269 829804595 /nfs/dbraw/zinc/80/45/95/829804595.db2.gz UKERFGMNYLFBLM-QWRGUYRKSA-N 2 0 327.429 -0.462 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001134766816 829840931 /nfs/dbraw/zinc/84/09/31/829840931.db2.gz MVFZKVNXDPERHA-CQSZACIVSA-N 2 0 325.457 -0.020 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)N1CCOCC1 ZINC001135095203 829897452 /nfs/dbraw/zinc/89/74/52/829897452.db2.gz AHHBSXLWXFICCZ-HUUCEWRRSA-N 2 0 338.452 -0.432 20 0 EBADRP O=C(NCC[NH2+]CCN1C(=O)CCC1=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135102994 829897918 /nfs/dbraw/zinc/89/79/18/829897918.db2.gz RUGHVKZNXDDXHV-ZIAGYGMSSA-N 2 0 336.436 -0.142 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135103225 829898138 /nfs/dbraw/zinc/89/81/38/829898138.db2.gz YBDUEGXDDHHFEU-CHWSQXEVSA-N 2 0 332.470 -0.742 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299032 829941321 /nfs/dbraw/zinc/94/13/21/829941321.db2.gz SMWSGXOKRVPDAC-NWDGAFQWSA-N 2 0 338.456 -0.177 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)[NH2+]CCN1C(=O)CNC1=O ZINC001135316358 829943512 /nfs/dbraw/zinc/94/35/12/829943512.db2.gz UUQQSPFYQZLTLH-OLZOCXBDSA-N 2 0 341.456 -0.247 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)CCC[NH+](C)C ZINC001135316360 829944125 /nfs/dbraw/zinc/94/41/25/829944125.db2.gz UUQQSPFYQZLTLH-QWHCGFSZSA-N 2 0 341.456 -0.247 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)[NH2+]CCN1CCCS1(=O)=O ZINC001135371843 829955204 /nfs/dbraw/zinc/95/52/04/829955204.db2.gz JQMAVHPKANGAJE-KGLIPLIRSA-N 2 0 348.513 -0.154 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CCN1CCCS1(=O)=O)NC(=O)CC[NH+](C)C ZINC001135371844 829955565 /nfs/dbraw/zinc/95/55/65/829955565.db2.gz JQMAVHPKANGAJE-UONOGXRCSA-N 2 0 348.513 -0.154 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001135378795 829956111 /nfs/dbraw/zinc/95/61/11/829956111.db2.gz MUSJYMFSKJCFJF-CHWSQXEVSA-N 2 0 348.513 -0.250 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)C1CC[NH+](C)CC1)[NH2+]CC(=O)NC(N)=O ZINC001135378035 829956360 /nfs/dbraw/zinc/95/63/60/829956360.db2.gz HDCQHQOCWGPBNY-MNOVXSKESA-N 2 0 327.429 -0.604 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NCC(C)C ZINC001135513666 829979741 /nfs/dbraw/zinc/97/97/41/829979741.db2.gz UEXBBDNOIBXMEK-ZDUSSCGKSA-N 2 0 343.472 -0.096 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CCOCCO)NC(=O)COC1CC[NH+](C)CC1 ZINC001135804449 830027809 /nfs/dbraw/zinc/02/78/09/830027809.db2.gz KGKUUVMAXTXPAK-GJZGRUSLSA-N 2 0 345.484 -0.021 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001211240538 837412793 /nfs/dbraw/zinc/41/27/93/837412793.db2.gz MFXQDIWCRGCHGM-ZDUSSCGKSA-N 2 0 339.440 -0.362 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001135858116 830035506 /nfs/dbraw/zinc/03/55/06/830035506.db2.gz SWDPILZBHGUOAR-NWDGAFQWSA-N 2 0 326.445 -0.177 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001135952468 830049501 /nfs/dbraw/zinc/04/95/01/830049501.db2.gz CUXFCFWXHWOFQX-QWHCGFSZSA-N 2 0 346.497 -0.496 20 0 EBADRP CCCC[C@@H]([NH2+]CCNC(=O)COC1CC[NH+](C)CC1)C(N)=O ZINC001135963483 830052830 /nfs/dbraw/zinc/05/28/30/830052830.db2.gz OZOYHIRFLFQPRM-CQSZACIVSA-N 2 0 328.457 -0.153 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001135977021 830055639 /nfs/dbraw/zinc/05/56/39/830055639.db2.gz PLEUUXQHMMNMIA-VXGBXAGGSA-N 2 0 326.445 -0.177 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001135979941 830056258 /nfs/dbraw/zinc/05/62/58/830056258.db2.gz KHXAFDRFKIFOSX-VXGBXAGGSA-N 2 0 329.445 -0.343 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211268922 837420123 /nfs/dbraw/zinc/42/01/23/837420123.db2.gz LYGQRYXGNGQQIV-LBPRGKRZSA-N 2 0 327.429 -0.637 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146356637 830194666 /nfs/dbraw/zinc/19/46/66/830194666.db2.gz ZVHUWVMTXXBPLH-UHFFFAOYSA-N 2 0 342.484 -0.035 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146392373 830195530 /nfs/dbraw/zinc/19/55/30/830195530.db2.gz RTEFFDADKHMGFS-LBPRGKRZSA-N 2 0 341.456 -0.343 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146383423 830195825 /nfs/dbraw/zinc/19/58/25/830195825.db2.gz GUGOTNGAOOPQMP-UHFFFAOYSA-N 2 0 342.484 -0.035 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146590954 830211833 /nfs/dbraw/zinc/21/18/33/830211833.db2.gz DXHFWXOTCYIFAY-VXGBXAGGSA-N 2 0 329.445 -0.345 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001146710288 830221479 /nfs/dbraw/zinc/22/14/79/830221479.db2.gz JTPGHPKJSGNJQD-OKILXGFUSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001147835549 830417449 /nfs/dbraw/zinc/41/74/49/830417449.db2.gz UCQKRSNVHANKAT-OLZOCXBDSA-N 2 0 339.440 -0.636 20 0 EBADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001147835552 830417873 /nfs/dbraw/zinc/41/78/73/830417873.db2.gz UCQKRSNVHANKAT-QWHCGFSZSA-N 2 0 339.440 -0.636 20 0 EBADRP CCC(CC)NC(=O)[C@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147892591 830426994 /nfs/dbraw/zinc/42/69/94/830426994.db2.gz KGNIGOLKBJPJSP-ZDUSSCGKSA-N 2 0 330.473 -0.036 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]C[C@H](O)COc1ccccc1 ZINC001147894155 830427073 /nfs/dbraw/zinc/42/70/73/830427073.db2.gz ZMWAKKBSSXCHGP-HNNXBMFYSA-N 2 0 339.436 -0.290 20 0 EBADRP CN(Cc1ccco1)C(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147893002 830427299 /nfs/dbraw/zinc/42/72/99/830427299.db2.gz NJGTUSHVSWYFDH-UHFFFAOYSA-N 2 0 340.424 -0.478 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC(=O)NCC1CCCCC1 ZINC001147893845 830427518 /nfs/dbraw/zinc/42/75/18/830427518.db2.gz VCPGWEXKMSNLOC-UHFFFAOYSA-N 2 0 342.484 -0.033 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900879 830427862 /nfs/dbraw/zinc/42/78/62/830427862.db2.gz XSWVXBNQKIKFPE-QWHCGFSZSA-N 2 0 341.456 -0.343 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147971301 830432626 /nfs/dbraw/zinc/43/26/26/830432626.db2.gz ZUOZPUPWSKETBR-LLVKDONJSA-N 2 0 325.413 -0.978 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)s1 ZINC001147977190 830434437 /nfs/dbraw/zinc/43/44/37/830434437.db2.gz MMINLVDPJGNKQX-UHFFFAOYSA-N 2 0 338.437 -0.413 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)C[C@@H](C)O1 ZINC001147995063 830435755 /nfs/dbraw/zinc/43/57/55/830435755.db2.gz XMFUMCXIEBNLFZ-ZIAGYGMSSA-N 2 0 338.452 -0.576 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C12CC[NH+](CC1)C2)C(=O)NCC(F)(F)F ZINC001147999843 830436761 /nfs/dbraw/zinc/43/67/61/830436761.db2.gz FXMGASRBXIBMOP-SNVBAGLBSA-N 2 0 336.358 -0.145 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148216769 830457939 /nfs/dbraw/zinc/45/79/39/830457939.db2.gz RPWYVVOWGYHLSB-NSHDSACASA-N 2 0 325.413 -0.944 20 0 EBADRP C[NH+](C)CCCCC(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001148365558 830477090 /nfs/dbraw/zinc/47/70/90/830477090.db2.gz SOZHPXSQQATNBB-CVEARBPZSA-N 2 0 345.484 -0.019 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148605383 830516381 /nfs/dbraw/zinc/51/63/81/830516381.db2.gz QILKPBODTKDAEN-LSDHHAIUSA-N 2 0 325.453 -0.130 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NCC(C)C ZINC001148656257 830524087 /nfs/dbraw/zinc/52/40/87/830524087.db2.gz YKLYNYSVFSZYKY-CYBMUJFWSA-N 2 0 343.472 -0.096 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC2(C1)CC[NH+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001148838877 830546429 /nfs/dbraw/zinc/54/64/29/830546429.db2.gz FYOVBYHBVBSKHG-CYBMUJFWSA-N 2 0 336.436 -0.334 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@@H]2C[N@H+](CCOCCO)CCCO2)CCC1 ZINC001149842777 830761099 /nfs/dbraw/zinc/76/10/99/830761099.db2.gz ZLIHDASKXUZGTK-OAHLLOKOSA-N 2 0 343.468 -0.313 20 0 EBADRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COC)CCCO1)[NH+](C)C ZINC001149889471 830777333 /nfs/dbraw/zinc/77/73/33/830777333.db2.gz OHPCEENIWBOSNC-RBSFLKMASA-N 2 0 331.457 -0.459 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@@H]1C[N@H+](CCOCCO)CCCO1 ZINC001150192139 830832625 /nfs/dbraw/zinc/83/26/25/830832625.db2.gz BAVGTHUUKJTIFK-OAHLLOKOSA-N 2 0 331.457 -0.456 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2C[NH+](CCOCCO)CCCO2)C1 ZINC001150586827 830938419 /nfs/dbraw/zinc/93/84/19/830938419.db2.gz AYFZFOHRMDMZRI-HZPDHXFCSA-N 2 0 343.468 -0.456 20 0 EBADRP C[C@@H](O)CCC[N@@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150589492 830940078 /nfs/dbraw/zinc/94/00/78/830940078.db2.gz UNCKCXIVRYBBSJ-HZPDHXFCSA-N 2 0 345.484 -0.067 20 0 EBADRP C[NH+](C)CCOCC(=O)NC[C@H]1C[N@H+](C[C@@H]2CCOC2)CCCO1 ZINC001150588614 830940232 /nfs/dbraw/zinc/94/02/32/830940232.db2.gz PTPQKHBKOUWODN-HOTGVXAUSA-N 2 0 343.468 -0.192 20 0 EBADRP COCCOCC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150714222 830968331 /nfs/dbraw/zinc/96/83/31/830968331.db2.gz BGRFOBDLKCAJCE-INIZCTEOSA-N 2 0 343.468 -0.048 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001151066445 831019583 /nfs/dbraw/zinc/01/95/83/831019583.db2.gz UYYRKGPOSFZZDI-NSHDSACASA-N 2 0 327.429 -0.732 20 0 EBADRP CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151072922 831019693 /nfs/dbraw/zinc/01/96/93/831019693.db2.gz AKOWDJDKFHQVAN-KBPBESRZSA-N 2 0 328.457 -0.425 20 0 EBADRP Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)[C@H]3CC[N@H+](C)C3)C2=O)n1 ZINC001151066280 831020811 /nfs/dbraw/zinc/02/08/11/831020811.db2.gz RKXYVCFFGYFNOE-STQMWFEESA-N 2 0 334.424 -0.817 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(=O)NC1CC1 ZINC001151073923 831021516 /nfs/dbraw/zinc/02/15/16/831021516.db2.gz SNJZANXKEOFSPS-QWRGUYRKSA-N 2 0 325.413 -0.979 20 0 EBADRP O=C(C[NH+]1CCCC1)NCC[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001151097321 831024365 /nfs/dbraw/zinc/02/43/65/831024365.db2.gz NJOPGDCLFOVJTN-OAHLLOKOSA-N 2 0 338.452 -0.575 20 0 EBADRP O=C(C[NH+]1CCCC1)NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001151101091 831025719 /nfs/dbraw/zinc/02/57/19/831025719.db2.gz LHTQJSGMFOQBPB-LSDHHAIUSA-N 2 0 329.441 -0.656 20 0 EBADRP CC(C)N1CC[C@H]([NH2+]CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1=O ZINC001151156437 831032485 /nfs/dbraw/zinc/03/24/85/831032485.db2.gz CLXJVHMGTDEBJD-GJZGRUSLSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]Cc1cccc(C(N)=O)c1 ZINC001151157019 831035222 /nfs/dbraw/zinc/03/52/22/831035222.db2.gz IVMZHBANBCEVQK-CQSZACIVSA-N 2 0 348.447 -0.040 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001151159400 831036490 /nfs/dbraw/zinc/03/64/90/831036490.db2.gz STEOXFNCZWAHRS-UONOGXRCSA-N 2 0 326.441 -0.719 20 0 EBADRP COCCC1(NC(=O)CC[NH+](C)C)CC[NH+](C[C@H](O)COC)CC1 ZINC001151307948 831056289 /nfs/dbraw/zinc/05/62/89/831056289.db2.gz GXRNTAGSKHDTQQ-HNNXBMFYSA-N 2 0 345.484 -0.067 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCC[NH+]1CCCCC1 ZINC001151361675 831060482 /nfs/dbraw/zinc/06/04/82/831060482.db2.gz MTBMHHVHDUOPOY-UHFFFAOYSA-N 2 0 341.456 -0.196 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001152136375 831134240 /nfs/dbraw/zinc/13/42/40/831134240.db2.gz BLSSKIXOSYLACS-KBPBESRZSA-N 2 0 340.468 -0.140 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001152245461 831144436 /nfs/dbraw/zinc/14/44/36/831144436.db2.gz GZASYJKGNWBTPP-GFCCVEGCSA-N 2 0 349.435 -0.088 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152237743 831145067 /nfs/dbraw/zinc/14/50/67/831145067.db2.gz SRVSBQJYXAZOIW-UHFFFAOYSA-N 2 0 334.486 -0.493 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001152458589 831165229 /nfs/dbraw/zinc/16/52/29/831165229.db2.gz RGAOGPOYCCDNPT-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001152457686 831165294 /nfs/dbraw/zinc/16/52/94/831165294.db2.gz HBBAHAITZCXXBF-RYUDHWBXSA-N 2 0 327.429 -0.589 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152471616 831165832 /nfs/dbraw/zinc/16/58/32/831165832.db2.gz MWYKBMQIIOPBGG-INIZCTEOSA-N 2 0 342.484 -0.035 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152480349 831166373 /nfs/dbraw/zinc/16/63/73/831166373.db2.gz RBYDPBRNKWQPRT-MRXNPFEDSA-N 2 0 342.484 -0.035 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)[NH+]1CCCCC1 ZINC001152472081 831166967 /nfs/dbraw/zinc/16/69/67/831166967.db2.gz QAKUDIFBTKNVMD-OLZOCXBDSA-N 2 0 341.456 -0.214 20 0 EBADRP [NH3+]CC1CN([C@H]2CCCN(c3ccc(N4CC[NH2+]CC4)nn3)C2)C1 ZINC001155372717 831402820 /nfs/dbraw/zinc/40/28/20/831402820.db2.gz JIKJXXGZPCGDBM-HNNXBMFYSA-N 2 0 331.468 -0.255 20 0 EBADRP O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ccc(OCC3CC[NH2+]CC3)nn2)N1 ZINC001155582215 831415262 /nfs/dbraw/zinc/41/52/62/831415262.db2.gz ZWTXWZPGEXPOLR-MLGOLLRUSA-N 2 0 332.408 -0.155 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)Nc1nncs1 ZINC001155789921 831429822 /nfs/dbraw/zinc/42/98/22/831429822.db2.gz HWIJHTSDFQKXEH-JTQLQIEISA-N 2 0 326.426 -0.333 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2C)s1 ZINC001155790961 831429965 /nfs/dbraw/zinc/42/99/65/831429965.db2.gz PVFQPDDQACMRRR-NSHDSACASA-N 2 0 340.453 -0.025 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155811742 831432197 /nfs/dbraw/zinc/43/21/97/831432197.db2.gz JKVPPRHKTBSUJM-ZDUSSCGKSA-N 2 0 334.486 -0.542 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001155812926 831432433 /nfs/dbraw/zinc/43/24/33/831432433.db2.gz QJUMBLYFUSPBIQ-KBPBESRZSA-N 2 0 346.497 -0.542 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155822675 831433539 /nfs/dbraw/zinc/43/35/39/831433539.db2.gz XSEQEZDUOWSXIC-CYBMUJFWSA-N 2 0 341.456 -0.198 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001155822082 831433630 /nfs/dbraw/zinc/43/36/30/831433630.db2.gz HZXOCGPSONMPJI-KGLIPLIRSA-N 2 0 326.441 -0.671 20 0 EBADRP CC[N@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001156907398 831513833 /nfs/dbraw/zinc/51/38/33/831513833.db2.gz BISBBSBGUJFRCQ-ARFHVFGLSA-N 2 0 345.484 -0.211 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001157323769 831554180 /nfs/dbraw/zinc/55/41/80/831554180.db2.gz NHVNQTQJJZGANB-GRDNDAEWSA-N 2 0 340.468 -0.105 20 0 EBADRP C[C@@]1(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)CC[NH2+]C[C@H]1O ZINC001157370783 831561895 /nfs/dbraw/zinc/56/18/95/831561895.db2.gz GXSWTBIFJYLUHP-JJRVBVJISA-N 2 0 340.468 -0.417 20 0 EBADRP CS(=O)(=O)c1nc2c(c(N[C@H]3C[NH2+]CC[C@H]3F)n1)CC[NH2+]CC2 ZINC001157446152 831566486 /nfs/dbraw/zinc/56/64/86/831566486.db2.gz VWEGBJUFJVDDJN-PWSUYJOCSA-N 2 0 343.428 -0.320 20 0 EBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCn2nc(C(F)(F)F)nc2C1 ZINC001157521676 831575115 /nfs/dbraw/zinc/57/51/15/831575115.db2.gz IISFBDDCLGXAAX-QMMMGPOBSA-N 2 0 330.314 -0.552 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O ZINC001157886497 831603056 /nfs/dbraw/zinc/60/30/56/831603056.db2.gz IEEABIRKEKDPER-CQSZACIVSA-N 2 0 348.513 -0.154 20 0 EBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158076907 831625821 /nfs/dbraw/zinc/62/58/21/831625821.db2.gz PUOQBPYCSSLQEE-ZDUSSCGKSA-N 2 0 326.441 -0.543 20 0 EBADRP O=C(c1cccc(N2CC[NH2+]CC2)c1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102392 831628378 /nfs/dbraw/zinc/62/83/78/831628378.db2.gz QWUXQYOAZJKTFD-SFHVURJKSA-N 2 0 343.431 -0.600 20 0 EBADRP C[C@@H](OC(C)(C)C)[C@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158112198 831629309 /nfs/dbraw/zinc/62/93/09/831629309.db2.gz WWYIAUFPFURYOL-BWACUDIHSA-N 2 0 338.452 -0.545 20 0 EBADRP [NH3+]C[C@H](Cc1ccccc1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120415 831630781 /nfs/dbraw/zinc/63/07/81/831630781.db2.gz MJPCGHOGTLEPHD-HNAYVOBHSA-N 2 0 342.443 -0.258 20 0 EBADRP O=C([C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCC2(CCC[NH2+]2)CC1 ZINC001158168494 831635256 /nfs/dbraw/zinc/63/52/56/831635256.db2.gz GNKYZCUZNJFDNL-LBPRGKRZSA-N 2 0 327.450 -0.492 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)NC(N)=O ZINC001158202139 831638635 /nfs/dbraw/zinc/63/86/35/831638635.db2.gz DNCJAIJIZKVPHR-CMPLNLGQSA-N 2 0 325.413 -0.993 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)N1CCOCC1 ZINC001158197037 831638837 /nfs/dbraw/zinc/63/88/37/831638837.db2.gz QZPDYMXAWQQKMG-OAHLLOKOSA-N 2 0 338.452 -0.717 20 0 EBADRP C[C@@]1(C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)CC[NH2+]C[C@H]1O ZINC001158260531 831640539 /nfs/dbraw/zinc/64/05/39/831640539.db2.gz FSKALWURQRWLDC-IUODEOHRSA-N 2 0 334.424 -0.941 20 0 EBADRP [NH3+][C@@H](Cc1cscn1)C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260028 831641063 /nfs/dbraw/zinc/64/10/63/831641063.db2.gz AVKCACHGQBHDNK-LBPRGKRZSA-N 2 0 347.448 -0.275 20 0 EBADRP O=C([C@H]1CCSC12C[NH2+]C2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260813 831642058 /nfs/dbraw/zinc/64/20/58/831642058.db2.gz HWGVLXGOSLUHSQ-GFCCVEGCSA-N 2 0 348.476 -0.206 20 0 EBADRP O=C(c1[nH]nc2c1C[NH2+]CC2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158285591 831644136 /nfs/dbraw/zinc/64/41/36/831644136.db2.gz LFJVPGVRGJWDQD-UHFFFAOYSA-N 2 0 342.407 -0.618 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]C[C@@H](O)COCCOC)CC[N@@H+]1C ZINC001158403911 831651655 /nfs/dbraw/zinc/65/16/55/831651655.db2.gz MUUJGNHMXDVNOD-OWCLPIDISA-N 2 0 345.484 -0.164 20 0 EBADRP CCn1ncnc1C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158486178 831658375 /nfs/dbraw/zinc/65/83/75/831658375.db2.gz HJIOTDKKADOUNI-UONOGXRCSA-N 2 0 336.440 -0.243 20 0 EBADRP O=C(NCCC[NH2+]CCN1CCCC1=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158505366 831660654 /nfs/dbraw/zinc/66/06/54/831660654.db2.gz BYKOUHUMRBBQGI-CABCVRRESA-N 2 0 338.452 -0.432 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)CN(C)[C@H]1CCC[NH2+]C1 ZINC001158498700 831660740 /nfs/dbraw/zinc/66/07/40/831660740.db2.gz SMORIYGOLFYOPT-ZQDZILKHSA-N 2 0 338.452 -0.578 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@]1(C)CC[NH2+]C[C@H]1O ZINC001158496293 831661066 /nfs/dbraw/zinc/66/10/66/831661066.db2.gz MDWWTLCYEUGDJJ-LVYCXYHQSA-N 2 0 325.409 -0.901 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1 ZINC001158495686 831661290 /nfs/dbraw/zinc/66/12/90/831661290.db2.gz CUXCWHHZGCVJJY-XDSHMYFISA-N 2 0 337.420 -0.495 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001158497924 831661333 /nfs/dbraw/zinc/66/13/33/831661333.db2.gz JNOXGQJZLBWKSQ-XDQVBPFNSA-N 3 0 326.441 -0.415 20 0 EBADRP O=C(NCCC[NH2+]Cc1nncs1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158507074 831661868 /nfs/dbraw/zinc/66/18/68/831661868.db2.gz PHCQACJYUXPCMA-NWDGAFQWSA-N 2 0 325.438 -0.003 20 0 EBADRP CCn1cc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)nn1 ZINC001158507029 831661898 /nfs/dbraw/zinc/66/18/98/831661898.db2.gz OJYMDJMTTAJCTC-HUUCEWRRSA-N 2 0 336.440 -0.243 20 0 EBADRP CC(C)CNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158506171 831661982 /nfs/dbraw/zinc/66/19/82/831661982.db2.gz IHKAPQGNGWDOEB-HUUCEWRRSA-N 2 0 340.468 -0.282 20 0 EBADRP O=C([C@@H]1CNC(=O)C12CC[NH2+]CC2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158533268 831663405 /nfs/dbraw/zinc/66/34/05/831663405.db2.gz JIBPUNPHXKCVRW-ZUMXRPEOSA-N 2 0 348.447 -0.918 20 0 EBADRP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3CNC(=O)C34CC[NH2+]CC4)C[C@@H]2CF)CC1 ZINC001158569369 831666727 /nfs/dbraw/zinc/66/67/27/831666727.db2.gz YSTXELJDFGMSDS-RWMBFGLXSA-N 2 0 338.427 -0.362 20 0 EBADRP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3CNC(=O)C34CC[NH2+]CC4)C[C@H]2CF)CC1 ZINC001158569367 831667001 /nfs/dbraw/zinc/66/70/01/831667001.db2.gz YSTXELJDFGMSDS-FRRDWIJNSA-N 2 0 338.427 -0.362 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158579614 831667920 /nfs/dbraw/zinc/66/79/20/831667920.db2.gz VUNCJNXNCJQQKR-LOWDOPEQSA-N 2 0 327.400 -0.080 20 0 EBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)COC1(C)C ZINC001158629698 831669971 /nfs/dbraw/zinc/66/99/71/831669971.db2.gz IYNFSFYGHRLLAR-RNJOBUHISA-N 2 0 326.441 -0.152 20 0 EBADRP Cc1noc([C@@H]2C[C@@H]3CCN(C(=O)[C@H]4C[NH2+]CC45C[NH2+]C5)C[C@H]3O2)n1 ZINC001158693344 831679385 /nfs/dbraw/zinc/67/93/85/831679385.db2.gz MMPSSQXBDLUECS-RFQIPJPRSA-N 2 0 347.419 -0.134 20 0 EBADRP COC[C@@H](O)C[N@H+](C)C[C@H]1CCCCN1C(=O)COCC[NH+](C)C ZINC001158750223 831683000 /nfs/dbraw/zinc/68/30/00/831683000.db2.gz GCCBHPIDSIXXDC-CVEARBPZSA-N 2 0 345.484 -0.115 20 0 EBADRP CCn1nnc2c1[C@H](COC)CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2 ZINC001158790014 831686422 /nfs/dbraw/zinc/68/64/22/831686422.db2.gz HYUKJTNDUFZOCU-QWRGUYRKSA-N 2 0 342.469 -0.611 20 0 EBADRP CCn1nnc2c1[C@H](COC)CN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)C2 ZINC001158790431 831686874 /nfs/dbraw/zinc/68/68/74/831686874.db2.gz LWLHYZHYBULMJS-OGHNNQOOSA-N 2 0 348.451 -0.431 20 0 EBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)C1(N)CC[NH2+]CC1)CC2 ZINC001158891173 831693712 /nfs/dbraw/zinc/69/37/12/831693712.db2.gz VIAHUNHCQINRIV-UHFFFAOYSA-N 2 0 337.468 -0.730 20 0 EBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@]13C[NH2+]C[C@@H]1CCN3)CC2 ZINC001158890295 831694039 /nfs/dbraw/zinc/69/40/39/831694039.db2.gz CGEOLCQYZZYADX-KSSFIOAISA-N 2 0 349.479 -0.859 20 0 EBADRP [NH3+][C@@H]1CN[C@H](C(=O)N(c2ncccc2F)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)C1 ZINC001158903628 831694382 /nfs/dbraw/zinc/69/43/82/831694382.db2.gz NZGLBGQGISJKDL-GWIFVGGISA-N 2 0 349.410 -0.236 20 0 EBADRP O=C([C@@H]1C[NH2+]CCN1)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158903247 831694705 /nfs/dbraw/zinc/69/47/05/831694705.db2.gz MWUBIFAMDJWUAM-JDFRZJQESA-N 2 0 349.410 -0.364 20 0 EBADRP [NH3+][C@@H]1CN[C@H](C(=O)N(c2ncccc2F)[C@H]2CO[C@]3(CC[NH2+]C3)C2)C1 ZINC001158903627 831694853 /nfs/dbraw/zinc/69/48/53/831694853.db2.gz NZGLBGQGISJKDL-GMIGKAJZSA-N 2 0 349.410 -0.236 20 0 EBADRP COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@H]1CC[C@@H]1[NH3+] ZINC001159077615 831706693 /nfs/dbraw/zinc/70/66/93/831706693.db2.gz RLTCSXLBKHQTMQ-WSMBLCCSSA-N 2 0 339.436 -0.021 20 0 EBADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001159134037 831711380 /nfs/dbraw/zinc/71/13/80/831711380.db2.gz MCVKAYUFGMFTCT-KGLIPLIRSA-N 3 0 332.452 -0.788 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001159155996 831712968 /nfs/dbraw/zinc/71/29/68/831712968.db2.gz ZOOTYAUZCMGRDL-NWDGAFQWSA-N 2 0 347.435 -0.394 20 0 EBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@H]1[C@@H]3C[NH2+]C[C@@H]31)CC2 ZINC001159190939 831717465 /nfs/dbraw/zinc/71/74/65/831717465.db2.gz OBXAVBYIUMPKQO-YABSGUDNSA-N 2 0 347.419 -0.684 20 0 EBADRP [NH3+]CCC[NH2+]CC(=O)N1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001159208752 831720439 /nfs/dbraw/zinc/72/04/39/831720439.db2.gz AHPRSNQUDKOEOQ-ARFHVFGLSA-N 2 0 334.420 -0.238 20 0 EBADRP [NH3+][C@H](C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1)C1CC[NH2+]CC1 ZINC001159273681 831733699 /nfs/dbraw/zinc/73/36/99/831733699.db2.gz SXGWPUNIPOPSJY-YCPHGPKFSA-N 2 0 346.435 -0.781 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC(=O)NCC ZINC001159327762 831740049 /nfs/dbraw/zinc/74/00/49/831740049.db2.gz OQJXIDMAYSJNEA-CYBMUJFWSA-N 2 0 341.456 -0.198 20 0 EBADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)C2CC[NH2+]CC2)CC3)CC1 ZINC001159417423 831751117 /nfs/dbraw/zinc/75/11/17/831751117.db2.gz OZNLYHBLPQSLPG-UHFFFAOYSA-N 2 0 346.479 -0.028 20 0 EBADRP O=C([C@H]1C[NH2+]C[C@@H]1O)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159559925 831761214 /nfs/dbraw/zinc/76/12/14/831761214.db2.gz FJHPHXWSKQQGAZ-BBRMVZONSA-N 2 0 333.436 -0.162 20 0 EBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)C1([NH3+])CC1)CC2 ZINC001159608251 831765310 /nfs/dbraw/zinc/76/53/10/831765310.db2.gz HSWJOFBSZOOOJF-UHFFFAOYSA-N 2 0 337.468 -0.826 20 0 EBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)C3(N)CC[NH2+]CC3)CC[C@@H]2C1 ZINC001159635305 831767444 /nfs/dbraw/zinc/76/74/44/831767444.db2.gz KKMGDZNTTSEWGD-HUUCEWRRSA-N 2 0 340.468 -0.737 20 0 EBADRP [NH3+]CCNCC(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159666011 831770230 /nfs/dbraw/zinc/77/02/30/831770230.db2.gz NSSBHOOSALJPKJ-HOTGVXAUSA-N 2 0 333.436 -0.568 20 0 EBADRP [NH3+][C@@H]1CN[C@H](C(=O)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)C1 ZINC001159667152 831770962 /nfs/dbraw/zinc/77/09/62/831770962.db2.gz SZFASHQSZVCQPC-QAETUUGQSA-N 2 0 345.447 -0.428 20 0 EBADRP N[C@@H](CC[NH3+])C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159667859 831771308 /nfs/dbraw/zinc/77/13/08/831771308.db2.gz VKQCCWHGXBRYEV-PMPSAXMXSA-N 2 0 333.436 -0.441 20 0 EBADRP N[C@]1(C(=O)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)CC[NH2+]C1 ZINC001159666276 831771965 /nfs/dbraw/zinc/77/19/65/831771965.db2.gz PZESEGDGRFWANR-LZLYRXPVSA-N 2 0 345.447 -0.426 20 0 EBADRP Cn1cc(N2C[C@@]3(CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C3)CC2=O)cn1 ZINC001159751623 831778270 /nfs/dbraw/zinc/77/82/70/831778270.db2.gz UPEKLOZSLCZLSB-YOEHRIQHSA-N 2 0 348.451 -0.168 20 0 EBADRP Cn1cc(N2C[C@]3(CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C3)CC2=O)cn1 ZINC001159751621 831778705 /nfs/dbraw/zinc/77/87/05/831778705.db2.gz UPEKLOZSLCZLSB-WMLDXEAASA-N 2 0 348.451 -0.168 20 0 EBADRP CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)CC[C@H]21 ZINC001159782435 831782181 /nfs/dbraw/zinc/78/21/81/831782181.db2.gz QQSVZQMRYVNMBL-RBSFLKMASA-N 2 0 334.464 -0.099 20 0 EBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001159837810 831786913 /nfs/dbraw/zinc/78/69/13/831786913.db2.gz FXNDDHHUHOIZDG-KGLIPLIRSA-N 2 0 338.452 -0.135 20 0 EBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001159847192 831788132 /nfs/dbraw/zinc/78/81/32/831788132.db2.gz UTJCMURNQFFIDB-STQMWFEESA-N 2 0 341.456 -0.356 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001159868380 831790169 /nfs/dbraw/zinc/79/01/69/831790169.db2.gz BUBCZJGIHGIJMW-DZGCQCFKSA-N 2 0 340.468 -0.140 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001159911424 831797118 /nfs/dbraw/zinc/79/71/18/831797118.db2.gz YLEUEEGZYXKMJP-QWHCGFSZSA-N 2 0 341.456 -0.071 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1)C1CC1 ZINC001159933048 831799197 /nfs/dbraw/zinc/79/91/97/831799197.db2.gz YNSIXNOGOBCSAQ-CJNGLKHVSA-N 2 0 340.468 -0.425 20 0 EBADRP C[N@H+](CC(=O)NCCC[NH2+]CC(=O)NC1CCOCC1)C1CCC1 ZINC001159997377 831804781 /nfs/dbraw/zinc/80/47/81/831804781.db2.gz OETMUNXJDNAIEM-UHFFFAOYSA-N 2 0 340.468 -0.138 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N(Cc1cn2c(n1)CNCC2)c1ccccn1 ZINC001160057093 831810502 /nfs/dbraw/zinc/81/05/02/831810502.db2.gz FXIAUPSTFMXNSW-CQSZACIVSA-N 2 0 343.435 -0.019 20 0 EBADRP [NH3+]CCC[NH2+]CC(=O)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001160192849 831823985 /nfs/dbraw/zinc/82/39/85/831823985.db2.gz JHUCMRWVPFYJLJ-UHFFFAOYSA-N 2 0 332.412 -0.806 20 0 EBADRP CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])[C@@H]2C1 ZINC001160295622 831835275 /nfs/dbraw/zinc/83/52/75/831835275.db2.gz PJVXKONVYGIAMY-BYNSBNAKSA-N 2 0 340.468 -0.027 20 0 EBADRP O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001160411757 831845822 /nfs/dbraw/zinc/84/58/22/831845822.db2.gz HAKOGSLRRNHTMN-HZSPNIEDSA-N 2 0 344.415 -0.239 20 0 EBADRP Cn1ncc2c1CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001160564411 831862870 /nfs/dbraw/zinc/86/28/70/831862870.db2.gz GVGBNWFTTDIWLQ-KBPBESRZSA-N 2 0 348.451 -0.290 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3CC[NH2+]C[C@H]3F)C[C@H]1C2 ZINC001160797400 831888824 /nfs/dbraw/zinc/88/88/24/831888824.db2.gz NVVNQYGPBZAUFM-AEMQQVFBSA-N 2 0 339.411 -0.209 20 0 EBADRP CCOC(=O)c1cnc2n1CCN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)CC2 ZINC001160806759 831889081 /nfs/dbraw/zinc/88/90/81/831889081.db2.gz VEAYWAKKZOTTCW-LBPRGKRZSA-N 2 0 347.419 -0.747 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]3C[N@H+](C)CCN3C)C[C@H]1C[NH2+]CC2 ZINC001160812449 831890315 /nfs/dbraw/zinc/89/03/15/831890315.db2.gz QBRPGAFOUHSGPO-JKIFEVAISA-N 2 0 338.452 -0.767 20 0 EBADRP COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001160822983 831890829 /nfs/dbraw/zinc/89/08/29/831890829.db2.gz AZQIKKHPPLEEFQ-MYZSUADSSA-N 2 0 338.452 -0.463 20 0 EBADRP COC(=O)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001160822982 831891042 /nfs/dbraw/zinc/89/10/42/831891042.db2.gz AZQIKKHPPLEEFQ-JURCDPSOSA-N 2 0 338.452 -0.463 20 0 EBADRP CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160823516 831891857 /nfs/dbraw/zinc/89/18/57/831891857.db2.gz HSYNNSNEYQNPTB-HACGYAERSA-N 2 0 347.419 -0.402 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCc2nc(C3CC3)ncc2C1 ZINC001160835087 831893753 /nfs/dbraw/zinc/89/37/53/831893753.db2.gz OSYGPIMUZAGFGU-HNNXBMFYSA-N 2 0 344.463 -0.011 20 0 EBADRP COc1cccnc1N1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC1 ZINC001160846945 831894006 /nfs/dbraw/zinc/89/40/06/831894006.db2.gz SARNLCCTBYKHNO-LBPRGKRZSA-N 2 0 339.465 -0.242 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160867836 831900817 /nfs/dbraw/zinc/90/08/17/831900817.db2.gz ISDKENJCOZKWQX-NEPJUHHUSA-N 2 0 325.413 -0.706 20 0 EBADRP CC[C@H](C(=O)NCCC[NH2+]C[C@H](O)COC1CCOCC1)[NH+](C)C ZINC001160890251 831904156 /nfs/dbraw/zinc/90/41/56/831904156.db2.gz ZYGZSAGVUPECFY-GOEBONIOSA-N 2 0 345.484 -0.021 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccncc2)CC1 ZINC001160936023 831908543 /nfs/dbraw/zinc/90/85/43/831908543.db2.gz FJBLAFWMIJGJRR-ZDUSSCGKSA-N 2 0 337.449 -0.615 20 0 EBADRP CN(C)C(=O)C[NH2+]CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001160951169 831909159 /nfs/dbraw/zinc/90/91/59/831909159.db2.gz GTOMSGSYZBPTCS-UHFFFAOYSA-N 2 0 328.457 -0.471 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CCn1cncn1 ZINC001160952277 831909934 /nfs/dbraw/zinc/90/99/34/831909934.db2.gz YMHUBMWESJLPFU-UHFFFAOYSA-N 2 0 338.456 -0.268 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161042138 831916343 /nfs/dbraw/zinc/91/63/43/831916343.db2.gz OWFUSZGKVVHZNE-GJZGRUSLSA-N 2 0 331.457 -0.410 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001161041554 831916443 /nfs/dbraw/zinc/91/64/43/831916443.db2.gz KDLUPMRTJKJCMQ-CQSZACIVSA-N 2 0 346.497 -0.398 20 0 EBADRP CC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001161039248 831916494 /nfs/dbraw/zinc/91/64/94/831916494.db2.gz OPHYDYZJVSXKNY-ILXRZTDVSA-N 2 0 338.452 -0.129 20 0 EBADRP CN(C(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161058560 831919264 /nfs/dbraw/zinc/91/92/64/831919264.db2.gz YCPRJKOSGSGCNE-RWMBFGLXSA-N 2 0 333.440 -0.348 20 0 EBADRP CN(C(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2)C1(C)CC[NH2+]CC1 ZINC001161066581 831919615 /nfs/dbraw/zinc/91/96/15/831919615.db2.gz BMGXXBRVMQSSNZ-GFCCVEGCSA-N 2 0 333.440 -0.475 20 0 EBADRP COc1cc(N2CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC2)ncn1 ZINC001161093461 831923279 /nfs/dbraw/zinc/92/32/79/831923279.db2.gz OPJPQFFZMIAQBL-ZDUSSCGKSA-N 2 0 336.440 -0.020 20 0 EBADRP CN(CC[N@H+](C)Cc1ccccc1)C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001161160870 831933614 /nfs/dbraw/zinc/93/36/14/831933614.db2.gz IHDVVNWTOPMCNM-MRXNPFEDSA-N 2 0 332.448 -0.093 20 0 EBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001161158239 831933712 /nfs/dbraw/zinc/93/37/12/831933712.db2.gz RWHOLJZXCPAWQP-CYBMUJFWSA-N 2 0 327.425 -0.114 20 0 EBADRP [NH3+]C[C@]1(F)CCN(C(=O)c2cnn3c2nccc3[C@@H]2C[NH2+]CCO2)C1 ZINC001161246967 831940427 /nfs/dbraw/zinc/94/04/27/831940427.db2.gz TXJYXTNEJGDFTH-XJKSGUPXSA-N 2 0 348.382 -0.097 20 0 EBADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1 ZINC001161240369 831940692 /nfs/dbraw/zinc/94/06/92/831940692.db2.gz ZGAIFEWTLFXFAI-BXUZGUMPSA-N 2 0 333.429 -0.700 20 0 EBADRP [NH3+]C[C@@]1(F)CCN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1 ZINC001161240372 831940933 /nfs/dbraw/zinc/94/09/33/831940933.db2.gz ZGAIFEWTLFXFAI-FZMZJTMJSA-N 2 0 333.429 -0.700 20 0 EBADRP CCS(=O)(=O)NC1CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001161264164 831942760 /nfs/dbraw/zinc/94/27/60/831942760.db2.gz KDCLWAGMIIBRCX-CYBMUJFWSA-N 2 0 332.470 -0.756 20 0 EBADRP CCS(=O)(=O)NC1CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001161265231 831942954 /nfs/dbraw/zinc/94/29/54/831942954.db2.gz ZPMREQWOQUGIAH-LBPRGKRZSA-N 2 0 334.486 -0.237 20 0 EBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161269601 831943901 /nfs/dbraw/zinc/94/39/01/831943901.db2.gz BGZBBFKDYMRXQG-HOTGVXAUSA-N 3 0 329.448 -0.029 20 0 EBADRP COc1cnc(O[C@@H]2CCN(C(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)C2)nc1 ZINC001161299556 831945464 /nfs/dbraw/zinc/94/54/64/831945464.db2.gz XFDKBVUVAIFEOB-OCCSQVGLSA-N 2 0 335.408 -0.208 20 0 EBADRP Cc1cc(O[C@H]2CCCN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C2)ncn1 ZINC001161310064 831947219 /nfs/dbraw/zinc/94/72/19/831947219.db2.gz XLEYQNILSRPHRR-UONOGXRCSA-N 2 0 331.420 -0.036 20 0 EBADRP [NH3+]CCNC(=O)/C=C/C(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161317019 831948515 /nfs/dbraw/zinc/94/85/15/831948515.db2.gz LKQCNALSIGHENW-GUUMZZRISA-N 2 0 338.452 -0.105 20 0 EBADRP CCN(C(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC001161328659 831949280 /nfs/dbraw/zinc/94/92/80/831949280.db2.gz FFKLCSFIIKHGDO-OLZOCXBDSA-N 2 0 333.440 -0.475 20 0 EBADRP CC(C)N(C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)[NH3+])[C@H]1CC[NH2+]C1 ZINC001161352501 831950479 /nfs/dbraw/zinc/95/04/79/831950479.db2.gz BZXIYODJOVMOQC-AVGNSLFASA-N 2 0 326.441 -0.104 20 0 EBADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)[NH2+]3)C2)CC1 ZINC001161377555 831951805 /nfs/dbraw/zinc/95/18/05/831951805.db2.gz HORAIAAPVHUHNX-HZPDHXFCSA-N 3 0 335.496 -0.115 20 0 EBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161387874 831952299 /nfs/dbraw/zinc/95/22/99/831952299.db2.gz FTGMTWNFXRORDG-CABCVRRESA-N 2 0 340.468 -0.201 20 0 EBADRP O=C([C@H]1COC2(C[NH2+]C2)CN1)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001161388275 831952784 /nfs/dbraw/zinc/95/27/84/831952784.db2.gz XFUYRTZWTMANJV-CQSZACIVSA-N 2 0 349.410 -0.364 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1CCSC13C[NH2+]C3)CC2 ZINC001161478772 831963331 /nfs/dbraw/zinc/96/33/31/831963331.db2.gz NYOOCEGAHVPZPY-ZOWXZIJZSA-N 2 0 339.461 -0.165 20 0 EBADRP C[NH2+][C@@H]1CCCN(CC(=O)N2CC[C@@]3(C(=O)OC)CC[NH2+][C@@H]3C2)C1 ZINC001161482959 831964219 /nfs/dbraw/zinc/96/42/19/831964219.db2.gz YDYWXOBJQNDGPB-CPUCHLNUSA-N 2 0 338.452 -0.576 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@]1(C)CC[NH2+]C[C@@H]1O)CC2 ZINC001161481836 831964530 /nfs/dbraw/zinc/96/45/30/831964530.db2.gz ZBPMZLVQWCVXIK-KOZAUXTDSA-N 2 0 325.409 -0.900 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@]1(C)CC[NH2+]C[C@H]1O)CC2 ZINC001161481838 831964633 /nfs/dbraw/zinc/96/46/33/831964633.db2.gz ZBPMZLVQWCVXIK-MPTQWLOMSA-N 2 0 325.409 -0.900 20 0 EBADRP CO[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)C[C@@H]1[NH3+] ZINC001161492357 831966175 /nfs/dbraw/zinc/96/61/75/831966175.db2.gz ONPKQBMKQOIZLZ-YESZJQIVSA-N 2 0 343.431 -0.014 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001161602121 831977366 /nfs/dbraw/zinc/97/73/66/831977366.db2.gz RMFCPFSEDRWLRO-RWMBFGLXSA-N 2 0 334.461 -0.723 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001161644096 831979901 /nfs/dbraw/zinc/97/99/01/831979901.db2.gz HRZZOXAIYXGWSZ-LBPRGKRZSA-N 2 0 327.429 -0.602 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])c1cccc2nc([C@H]3C[NH2+]CCO3)cn21 ZINC001162131350 832020764 /nfs/dbraw/zinc/02/07/64/832020764.db2.gz SYDWBJLZZISOKE-GFCCVEGCSA-N 2 0 339.421 -0.280 20 0 EBADRP COCC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001162604553 832055373 /nfs/dbraw/zinc/05/53/73/832055373.db2.gz XLGPBXNDWKTZLO-KBPBESRZSA-N 2 0 340.468 -0.343 20 0 EBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872376 832068217 /nfs/dbraw/zinc/06/82/17/832068217.db2.gz PYEWEFSLMVVTGB-XOYHFGRZSA-N 2 0 338.452 -0.530 20 0 EBADRP O=C(NCCC[NH2+]Cc1nncs1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872560 832068334 /nfs/dbraw/zinc/06/83/34/832068334.db2.gz WCKUMBZZFQCVPE-AVERBVTBSA-N 2 0 337.449 -0.003 20 0 EBADRP Cn1cc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)nn1 ZINC001162872059 832069048 /nfs/dbraw/zinc/06/90/48/832069048.db2.gz FOMGLFRSCCMPDO-UGWHAMFMSA-N 2 0 334.424 -0.726 20 0 EBADRP Cn1nccc1CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872083 832069159 /nfs/dbraw/zinc/06/91/59/832069159.db2.gz GHTRJLWPUOIZLU-BFHRDPOASA-N 2 0 347.463 -0.078 20 0 EBADRP Cn1cc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)cn1 ZINC001162872660 832069981 /nfs/dbraw/zinc/06/99/81/832069981.db2.gz ZQJLRVCQCYZSNW-GULBITTBSA-N 2 0 333.436 -0.121 20 0 EBADRP C[NH+](C)CCCNC(=O)c1cccnc1N[C@@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001163238978 832092613 /nfs/dbraw/zinc/09/26/13/832092613.db2.gz PVJSNYIKDIKMHK-DYVFJYSZSA-N 2 0 346.435 -0.247 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCN2CCNC2=O)CC1 ZINC001163820644 832142049 /nfs/dbraw/zinc/14/20/49/832142049.db2.gz HEJGFYOZNNKHKQ-AWEZNQCLSA-N 2 0 337.468 -0.018 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001163821319 832142214 /nfs/dbraw/zinc/14/22/14/832142214.db2.gz MRATZSNCDMWBFJ-QWHCGFSZSA-N 2 0 336.436 -0.238 20 0 EBADRP CN(CC[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1)S(C)(=O)=O ZINC001163831824 832143353 /nfs/dbraw/zinc/14/33/53/832143353.db2.gz ACHNSRKGDHXYRH-UHFFFAOYSA-N 2 0 348.513 -0.152 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1)C(=O)NC(N)=O ZINC001163851477 832145361 /nfs/dbraw/zinc/14/53/61/832145361.db2.gz OHYRGBZKMWAZGV-NSHDSACASA-N 2 0 327.429 -0.460 20 0 EBADRP CC(C)(C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O)[NH+]1CCCC1 ZINC001163851610 832145499 /nfs/dbraw/zinc/14/54/99/832145499.db2.gz PJUAJBCPAPUENL-UHFFFAOYSA-N 2 0 339.440 -0.492 20 0 EBADRP CC(C)(C(=O)NCCC[NH2+]CCN1CCNC1=O)[NH+]1CCCC1 ZINC001163851796 832145618 /nfs/dbraw/zinc/14/56/18/832145618.db2.gz SLHBXUAQDGJQNI-UHFFFAOYSA-N 2 0 325.457 -0.018 20 0 EBADRP O=C(NCC1C[NH2+]C1)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC001350342734 832157293 /nfs/dbraw/zinc/15/72/93/832157293.db2.gz NYIRVKBREIAVMZ-UHFFFAOYSA-N 2 0 345.447 -0.255 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001164539359 832195796 /nfs/dbraw/zinc/19/57/96/832195796.db2.gz ZHYGZJIBCUBCLM-GJZGRUSLSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NCCC[NH2+]CCN2CCNC2=O)CC[N@@H+]1C ZINC001164574536 832198583 /nfs/dbraw/zinc/19/85/83/832198583.db2.gz PKUQKKSUJFZTSZ-KBPBESRZSA-N 2 0 325.457 -0.162 20 0 EBADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]CC(=O)Nc2nncs2)CC1 ZINC001165254149 832208566 /nfs/dbraw/zinc/20/85/66/832208566.db2.gz NLZMWSWIAXQZIR-UHFFFAOYSA-N 2 0 340.453 -0.086 20 0 EBADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]Cc2nnc3n2CCOC3)CC1 ZINC001165253905 832208906 /nfs/dbraw/zinc/20/89/06/832208906.db2.gz KYKZLBNFBCHXQK-UHFFFAOYSA-N 2 0 336.440 -0.254 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)CCC[NH+](C)C)C(=O)NC(=O)NC1CC1 ZINC001165377903 832218481 /nfs/dbraw/zinc/21/84/81/832218481.db2.gz AIIYMAZZFCUHRX-LBPRGKRZSA-N 2 0 341.456 -0.199 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001165742111 832236334 /nfs/dbraw/zinc/23/63/34/832236334.db2.gz PJKXFHQQHTWGPF-UHFFFAOYSA-N 2 0 340.468 -0.294 20 0 EBADRP C[NH+](C)CCC(=O)NCCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001165781035 832237322 /nfs/dbraw/zinc/23/73/22/832237322.db2.gz CXEFWCGOCUQLJK-ZDUSSCGKSA-N 2 0 334.486 -0.685 20 0 EBADRP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC001351539355 832249041 /nfs/dbraw/zinc/24/90/41/832249041.db2.gz NBTMVYKCGGPZTK-GFCCVEGCSA-N 2 0 334.424 -0.044 20 0 EBADRP CC[C@@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)[NH+](CC)CC ZINC001166449055 832261966 /nfs/dbraw/zinc/26/19/66/832261966.db2.gz ZWFXFPCWZCUWKW-ZDUSSCGKSA-N 2 0 336.502 -0.248 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001166627435 832274656 /nfs/dbraw/zinc/27/46/56/832274656.db2.gz VTIOJLGIXCWZHX-RYUDHWBXSA-N 2 0 327.429 -0.589 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001166627461 832275317 /nfs/dbraw/zinc/27/53/17/832275317.db2.gz WBSMPVLMGPLFHS-GFCCVEGCSA-N 2 0 325.413 -0.882 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166633845 832275648 /nfs/dbraw/zinc/27/56/48/832275648.db2.gz KWDKHVLBLXYHEC-CHWSQXEVSA-N 2 0 341.456 -0.199 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166634905 832276135 /nfs/dbraw/zinc/27/61/35/832276135.db2.gz YGMYNQONZQYJRP-CYBMUJFWSA-N 2 0 341.456 -0.198 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001166668054 832277486 /nfs/dbraw/zinc/27/74/86/832277486.db2.gz PSCLPSLBYGMPAI-AWEZNQCLSA-N 2 0 340.468 -0.281 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001166690413 832280636 /nfs/dbraw/zinc/28/06/36/832280636.db2.gz AAAUUSVJKSZESA-ZIAGYGMSSA-N 2 0 348.513 -0.439 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1nnc2n1CCOC2 ZINC001166707751 832280935 /nfs/dbraw/zinc/28/09/35/832280935.db2.gz IVWMGBNYXZCOBW-OLZOCXBDSA-N 2 0 336.440 -0.398 20 0 EBADRP COCCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001166708378 832283002 /nfs/dbraw/zinc/28/30/02/832283002.db2.gz PKSHNGWRPAZVPA-KGLIPLIRSA-N 2 0 328.457 -0.567 20 0 EBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001166931044 832300224 /nfs/dbraw/zinc/30/02/24/832300224.db2.gz QHMUNRWLRFOTON-GJZGRUSLSA-N 2 0 331.457 -0.410 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001166931051 832300349 /nfs/dbraw/zinc/30/03/49/832300349.db2.gz QJHJFJJOWALNEX-UONOGXRCSA-N 2 0 328.457 -0.282 20 0 EBADRP COCCCNC(=O)C[NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166971910 832304552 /nfs/dbraw/zinc/30/45/52/832304552.db2.gz QULBUTFVVZURAU-UHFFFAOYSA-N 2 0 342.484 -0.033 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC1(C[NH2+]Cc2nnnn2C)CC1 ZINC001167235988 832319278 /nfs/dbraw/zinc/31/92/78/832319278.db2.gz FNRWYWDSRLYEJN-QWHCGFSZSA-N 2 0 335.456 -0.216 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001167236826 832319692 /nfs/dbraw/zinc/31/96/92/832319692.db2.gz QCSMDENVSNDOII-VXGBXAGGSA-N 2 0 339.440 -0.745 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001167236825 832319796 /nfs/dbraw/zinc/31/97/96/832319796.db2.gz QCSMDENVSNDOII-RYUDHWBXSA-N 2 0 339.440 -0.745 20 0 EBADRP CC[C@@H](C(=O)NCCC1(C[NH2+]CCNS(C)(=O)=O)CC1)[NH+](C)C ZINC001167260607 832322018 /nfs/dbraw/zinc/32/20/18/832322018.db2.gz AESFERJVZBJQSP-ZDUSSCGKSA-N 2 0 348.513 -0.248 20 0 EBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001352486999 832332277 /nfs/dbraw/zinc/33/22/77/832332277.db2.gz SARGVZIIOURDEI-QBPKDAKJSA-N 3 0 337.512 -0.428 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NCCC2(C[NH2+]CC(N)=O)CC2)cn1 ZINC001167426668 832338594 /nfs/dbraw/zinc/33/85/94/832338594.db2.gz XNFIVBDFTXFHFU-UHFFFAOYSA-N 2 0 336.440 -0.580 20 0 EBADRP C[C@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)[NH+]1CCCCCC1 ZINC001167620873 832360348 /nfs/dbraw/zinc/36/03/48/832360348.db2.gz ULBDFJGWZXAACB-CQSZACIVSA-N 2 0 348.513 -0.104 20 0 EBADRP C[C@H]([NH2+]CC1(CCNC(=O)COCC[NH+](C)C)CC1)C(=O)N(C)C ZINC001167736889 832368636 /nfs/dbraw/zinc/36/86/36/832368636.db2.gz KTWPSVUMQHAQQI-AWEZNQCLSA-N 2 0 342.484 -0.083 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001167737582 832369465 /nfs/dbraw/zinc/36/94/65/832369465.db2.gz WMOAKZJUHMSTGY-CYBMUJFWSA-N 2 0 328.457 -0.425 20 0 EBADRP O=C(NCCC1(C[NH2+][C@H]2CCC(=O)NC2=O)CC1)C12CC[NH+](CC1)C2 ZINC001167746285 832370452 /nfs/dbraw/zinc/37/04/52/832370452.db2.gz KBYIDOZEBXZNKH-ZDUSSCGKSA-N 2 0 348.447 -0.237 20 0 EBADRP [NH3+]CCc1nnn(-c2ccc(S(=O)(=O)C3CC[NH2+]CC3)cc2)n1 ZINC001167791086 832374390 /nfs/dbraw/zinc/37/43/90/832374390.db2.gz QYNBZZZINKRGGJ-UHFFFAOYSA-N 2 0 336.421 -0.311 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001167812544 832375826 /nfs/dbraw/zinc/37/58/26/832375826.db2.gz ORRQTQYIJVKKQY-UHFFFAOYSA-N 2 0 341.456 -0.211 20 0 EBADRP Cn1[nH]c(C[NH2+]CC2(CCNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)nc1=O ZINC001168138552 832398753 /nfs/dbraw/zinc/39/87/53/832398753.db2.gz SMZOQBFBZQJAGV-GFCCVEGCSA-N 2 0 336.440 -0.564 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC001353278094 832419228 /nfs/dbraw/zinc/41/92/28/832419228.db2.gz KRLSLRYPYOQDGN-CQSZACIVSA-N 2 0 338.452 -0.528 20 0 EBADRP C[NH+]1CCC(NC(=O)c2ccc(-n3ccnc3C(N)=[NH2+])nn2)CC1 ZINC001168409875 832419246 /nfs/dbraw/zinc/41/92/46/832419246.db2.gz ILXDCJSKIXFUBJ-UHFFFAOYSA-N 2 0 328.380 -0.230 20 0 EBADRP [NH3+]CC1(NC(=O)NCCCCCN2CC[NH2+]CC2)CCOCC1 ZINC001353477150 832430292 /nfs/dbraw/zinc/43/02/92/832430292.db2.gz SYPNSUXXXPWJSA-UHFFFAOYSA-N 2 0 327.473 -0.131 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001168763165 832434645 /nfs/dbraw/zinc/43/46/45/832434645.db2.gz KZLQKHGUUMWDSK-OAHLLOKOSA-N 2 0 345.484 -0.019 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCCC[NH2+]CCNC(=O)C2CC2)CC1 ZINC001169531379 832467024 /nfs/dbraw/zinc/46/70/24/832467024.db2.gz PHISMCULUQVFES-UHFFFAOYSA-N 2 0 340.468 -0.281 20 0 EBADRP C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169808723 832477236 /nfs/dbraw/zinc/47/72/36/832477236.db2.gz DKKYLBHBWRBSRJ-NEPJUHHUSA-N 2 0 327.429 -0.460 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001170223950 832492861 /nfs/dbraw/zinc/49/28/61/832492861.db2.gz ZLOFUFDHEQYLDF-UHFFFAOYSA-N 2 0 327.429 -0.634 20 0 EBADRP C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170863359 832529948 /nfs/dbraw/zinc/52/99/48/832529948.db2.gz VVESQXLFOHDKCK-YNEHKIRRSA-N 2 0 341.456 -0.214 20 0 EBADRP O=C(C[NH+]1CCC(CO)CC1)NCCCCCN1CC[NH2+]CC1 ZINC001354969826 832540908 /nfs/dbraw/zinc/54/09/08/832540908.db2.gz KKVVLKNAOOYYQQ-UHFFFAOYSA-N 2 0 326.485 -0.118 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001171160635 832549744 /nfs/dbraw/zinc/54/97/44/832549744.db2.gz HVWGAZCELGYHCU-CHWSQXEVSA-N 2 0 341.456 -0.342 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]Cc1ncnn1CC(F)F ZINC001171204867 832550441 /nfs/dbraw/zinc/55/04/41/832550441.db2.gz HABBBQOFJPZWKT-UHFFFAOYSA-N 2 0 348.398 -0.283 20 0 EBADRP COc1nccc(C[NH2+]CCCNC(=O)COCC[NH+](C)C)n1 ZINC001171205151 832550721 /nfs/dbraw/zinc/55/07/21/832550721.db2.gz NWWXJBUKCVULNN-UHFFFAOYSA-N 2 0 325.413 -0.341 20 0 EBADRP COc1cncc(C[NH2+]CCCNC(=O)COCC[NH+](C)C)n1 ZINC001171205246 832550773 /nfs/dbraw/zinc/55/07/73/832550773.db2.gz ROJBJBAMGVHCBD-UHFFFAOYSA-N 2 0 325.413 -0.341 20 0 EBADRP CC[C@H](C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NC(N)=O)[NH+](C)C ZINC001171509204 832561982 /nfs/dbraw/zinc/56/19/82/832561982.db2.gz NCJMBYXDJPZHGM-NWDGAFQWSA-N 2 0 329.445 -0.214 20 0 EBADRP C[NH+](C)CCCCC(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001171578888 832565754 /nfs/dbraw/zinc/56/57/54/832565754.db2.gz KMLQCAQGJREOON-UHFFFAOYSA-N 2 0 341.456 -0.198 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]C[C@@H](O)COCCOC ZINC001171725537 832574241 /nfs/dbraw/zinc/57/42/41/832574241.db2.gz OLOOADCVSHUVJU-OAHLLOKOSA-N 2 0 333.473 -0.162 20 0 EBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH3+])CCN1C(=O)c1ccccc1 ZINC001173490462 832584913 /nfs/dbraw/zinc/58/49/13/832584913.db2.gz LKHUPSVKDXDEPU-ZNMIVQPWSA-N 2 0 335.404 -0.258 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2CCN2C2CCOCC2)CC1 ZINC001356113788 832601338 /nfs/dbraw/zinc/60/13/38/832601338.db2.gz NVVOEMZYZZEYQG-SJORKVTESA-N 2 0 326.485 -0.562 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CC2(CS(C)(=O)=O)CC2)C1 ZINC001176057245 832654221 /nfs/dbraw/zinc/65/42/21/832654221.db2.gz NYFZTDDKQXKQJQ-ZDUSSCGKSA-N 2 0 331.482 -0.141 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001176056300 832654237 /nfs/dbraw/zinc/65/42/37/832654237.db2.gz FPTJWUBPQJISBZ-KGLIPLIRSA-N 2 0 346.497 -0.685 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001176058136 832655123 /nfs/dbraw/zinc/65/51/23/832655123.db2.gz VHFVBHQMQAKCNG-UONOGXRCSA-N 2 0 326.441 -0.813 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)C[NH+]1CCCC1)C(=O)NC[C@H]1CCCO1 ZINC001176118382 832658068 /nfs/dbraw/zinc/65/80/68/832658068.db2.gz NQOPOJSYIZUVPG-LSDHHAIUSA-N 2 0 340.468 -0.138 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)C[NH+]1CCCC1)NC[C@H]1CCOC1 ZINC001176110300 832658242 /nfs/dbraw/zinc/65/82/42/832658242.db2.gz KAGOQGJUFCDSJD-CQSZACIVSA-N 2 0 326.441 -0.669 20 0 EBADRP C[C@@H](CCCC[NH2+]CCOCCO)NC(=O)COCC[NH+](C)C ZINC001176155261 832659308 /nfs/dbraw/zinc/65/93/08/832659308.db2.gz AGLKXVILYAVHAG-HNNXBMFYSA-N 2 0 333.473 -0.162 20 0 EBADRP CC(C)CNC(=O)C[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176161484 832660145 /nfs/dbraw/zinc/66/01/45/832660145.db2.gz QMIBDTLXZCZGAF-OAHLLOKOSA-N 2 0 342.484 -0.177 20 0 EBADRP CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1=O ZINC001176161343 832660431 /nfs/dbraw/zinc/66/04/31/832660431.db2.gz OGBXHVGMEJPIQF-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@H]1CCN(C)C1=O ZINC001176162079 832660527 /nfs/dbraw/zinc/66/05/27/832660527.db2.gz TXFATAPZTUHGFI-KBPBESRZSA-N 2 0 326.441 -0.719 20 0 EBADRP CCn1cc(C[NH2+]CCCNC(=O)[C@@H](C)C[NH+]2CCOCC2)nn1 ZINC001176160493 832660535 /nfs/dbraw/zinc/66/05/35/832660535.db2.gz HJCNBPPQEAZQLI-AWEZNQCLSA-N 2 0 338.456 -0.138 20 0 EBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176169521 832660811 /nfs/dbraw/zinc/66/08/11/832660811.db2.gz LPKVQQMSWRGKJA-CQSZACIVSA-N 2 0 328.457 -0.471 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001176169398 832661270 /nfs/dbraw/zinc/66/12/70/832661270.db2.gz KLRCGNLGFHXISG-CYBMUJFWSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001176857470 832696597 /nfs/dbraw/zinc/69/65/97/832696597.db2.gz WTMJABLCDRABNA-OKILXGFUSA-N 2 0 325.457 -0.020 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CCC[NH+]1CCCC1 ZINC001176884413 832700523 /nfs/dbraw/zinc/70/05/23/832700523.db2.gz GTWRHKUEEBGHIG-UHFFFAOYSA-N 2 0 327.429 -0.586 20 0 EBADRP CN(CC[NH2+]CCCNC(=O)CCC[NH+]1CCCC1)S(C)(=O)=O ZINC001176884295 832700661 /nfs/dbraw/zinc/70/06/61/832700661.db2.gz APXZCNCNTOGPGR-UHFFFAOYSA-N 2 0 348.513 -0.150 20 0 EBADRP C[NH+](C)Cc1ccccc1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001176948279 832715611 /nfs/dbraw/zinc/71/56/11/832715611.db2.gz OHZNBMGTFZGGHA-UHFFFAOYSA-N 2 0 335.408 -0.347 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(=O)NC ZINC001176986483 832725788 /nfs/dbraw/zinc/72/57/88/832725788.db2.gz PKGNDXFCSKWJCG-LBPRGKRZSA-N 2 0 327.429 -0.588 20 0 EBADRP CNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001178536405 832878853 /nfs/dbraw/zinc/87/88/53/832878853.db2.gz VHHXJLDNXDVSHS-CABCVRRESA-N 2 0 340.468 -0.138 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001178698756 832901089 /nfs/dbraw/zinc/90/10/89/832901089.db2.gz STBMKLUNVDJPFR-AWEZNQCLSA-N 2 0 341.456 -0.212 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001178813803 832915533 /nfs/dbraw/zinc/91/55/33/832915533.db2.gz JTIAQEUCBKXPQD-TUAOUCFPSA-N 2 0 345.419 -0.560 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)CCC[NH+](C)C ZINC001179439019 832978338 /nfs/dbraw/zinc/97/83/38/832978338.db2.gz DKHGZHMMRJVDHE-STQMWFEESA-N 2 0 334.486 -0.544 20 0 EBADRP COCCOC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179439804 832978519 /nfs/dbraw/zinc/97/85/19/832978519.db2.gz ZDIWNTKDLNOCGO-JYJNAYRXSA-N 2 0 345.484 -0.069 20 0 EBADRP C[C@@H]([NH2+]CCCCCCNC(=O)CC[NH+](C)C)C(=O)NC(N)=O ZINC001179464066 832980863 /nfs/dbraw/zinc/98/08/63/832980863.db2.gz LKEZYLACHPQJND-GFCCVEGCSA-N 2 0 329.445 -0.212 20 0 EBADRP COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179481455 832982080 /nfs/dbraw/zinc/98/20/80/832982080.db2.gz HLBBFSFOQVJKPO-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1C ZINC001179534760 832986160 /nfs/dbraw/zinc/98/61/60/832986160.db2.gz VHQKRZWPKIMOML-IHRRRGAJSA-N 2 0 346.497 -0.401 20 0 EBADRP C[C@H](NC(=O)C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)C1CC1 ZINC001187107070 833900980 /nfs/dbraw/zinc/90/09/80/833900980.db2.gz UHCFGWSRFWYHGM-DZGCQCFKSA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]CCOC[C@H]2CCCO2)C1 ZINC001187107273 833901577 /nfs/dbraw/zinc/90/15/77/833901577.db2.gz ZTCWXSOEGSFJJY-HZPDHXFCSA-N 2 0 343.468 -0.049 20 0 EBADRP CN(CC1CC1)C(=O)C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115261 833903014 /nfs/dbraw/zinc/90/30/14/833903014.db2.gz HYCMGJYLAUMKLG-OAHLLOKOSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC001187115786 833903194 /nfs/dbraw/zinc/90/31/94/833903194.db2.gz SZHLDBWZSXZTBC-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187122449 833903793 /nfs/dbraw/zinc/90/37/93/833903793.db2.gz STSOGNCPTOWFIR-CQSZACIVSA-N 2 0 338.452 -0.575 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001187135613 833905663 /nfs/dbraw/zinc/90/56/63/833905663.db2.gz XAMAGDJPJNVZSM-GFCCVEGCSA-N 2 0 340.449 -0.004 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001187276635 833915411 /nfs/dbraw/zinc/91/54/11/833915411.db2.gz QFHDTHWSYCAWBH-NWDGAFQWSA-N 2 0 327.429 -0.508 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001187306002 833917794 /nfs/dbraw/zinc/91/77/94/833917794.db2.gz CVOFLORBHFFVFY-CYBMUJFWSA-N 2 0 334.486 -0.542 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001189055698 834119923 /nfs/dbraw/zinc/11/99/23/834119923.db2.gz ZTOXYWSLOPAWPX-QWHCGFSZSA-N 2 0 337.424 -0.977 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001189787617 834192295 /nfs/dbraw/zinc/19/22/95/834192295.db2.gz RMVKCLVWIWVYDU-HRCADAONSA-N 2 0 325.453 -0.130 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CCNC(=O)C4CC4)C[C@H]32)C1 ZINC001190148298 834235679 /nfs/dbraw/zinc/23/56/79/834235679.db2.gz FMTOCNCYRADRTE-ARFHVFGLSA-N 2 0 334.464 -0.003 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213368487 837756578 /nfs/dbraw/zinc/75/65/78/837756578.db2.gz CFTMLRCQQCOUSV-RRFJBIMHSA-N 2 0 329.441 -0.849 20 0 EBADRP CO[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378200 837760664 /nfs/dbraw/zinc/76/06/64/837760664.db2.gz GZVFAPSPDSURSD-BZUAXINKSA-N 2 0 343.468 -0.051 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192029162 834594340 /nfs/dbraw/zinc/59/43/40/834594340.db2.gz INKPCWSDUKNINE-VXGBXAGGSA-N 2 0 327.429 -0.556 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192152756 834617832 /nfs/dbraw/zinc/61/78/32/834617832.db2.gz IWLBSKHOQYPGDM-NWDGAFQWSA-N 2 0 327.429 -0.685 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)CCCN2C(=O)CNC2=O)C1 ZINC001192170389 834620914 /nfs/dbraw/zinc/62/09/14/834620914.db2.gz KTUFTWNVSIZNQJ-ZDUSSCGKSA-N 2 0 339.440 -0.587 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)NC(=O)NC)C1 ZINC001192948597 834769800 /nfs/dbraw/zinc/76/98/00/834769800.db2.gz TXWRLWBBPKDAHD-QWHCGFSZSA-N 2 0 341.456 -0.295 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@H+](C)CCN2C(=O)CNC2=O)C1 ZINC001192947005 834770022 /nfs/dbraw/zinc/77/00/22/834770022.db2.gz GEJYVYGQVFKGHV-CYBMUJFWSA-N 2 0 339.440 -0.587 20 0 EBADRP C[N@H+](CCOCCO)[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001193077942 834792000 /nfs/dbraw/zinc/79/20/00/834792000.db2.gz OZIYOAXKHMYCTM-OAHLLOKOSA-N 2 0 343.468 -0.361 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@H](C)C(=O)NC(N)=O)C1 ZINC001193278906 834824486 /nfs/dbraw/zinc/82/44/86/834824486.db2.gz KURYCOXDKPPAKH-VXGBXAGGSA-N 2 0 327.429 -0.556 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@@H](C)C(=O)NC(=O)NC)C1 ZINC001193280724 834826650 /nfs/dbraw/zinc/82/66/50/834826650.db2.gz XKKHLWCVPDYZRI-STQMWFEESA-N 2 0 341.456 -0.295 20 0 EBADRP CN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)COCC[NH+](C)C)C2)C1=O ZINC001193487992 834888439 /nfs/dbraw/zinc/88/84/39/834888439.db2.gz JYSGCZGLWFHQGP-KBPBESRZSA-N 2 0 326.441 -0.672 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)CCN2CCNC2=O)C1 ZINC001193640255 834919682 /nfs/dbraw/zinc/91/96/82/834919682.db2.gz FAQWNZDNVXWGGS-AWEZNQCLSA-N 2 0 325.457 -0.114 20 0 EBADRP Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCC[NH+]3C)C2)cn1 ZINC001193892282 834961893 /nfs/dbraw/zinc/96/18/93/834961893.db2.gz IAIRAXNRGSEUJO-GVDBMIGSSA-N 2 0 349.479 -0.002 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194039162 835003915 /nfs/dbraw/zinc/00/39/15/835003915.db2.gz LBQOEOYOUQLYBW-OLZOCXBDSA-N 2 0 339.440 -0.541 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CCN2CCNC2=O)C1 ZINC001194296084 835075015 /nfs/dbraw/zinc/07/50/15/835075015.db2.gz VRLXMIBFNILIIE-CQSZACIVSA-N 2 0 325.457 -0.116 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)[C@H](C)C(=O)NC(N)=O)C1 ZINC001194294768 835075676 /nfs/dbraw/zinc/07/56/76/835075676.db2.gz MWDWVEWDJVSDAT-NEPJUHHUSA-N 2 0 327.429 -0.557 20 0 EBADRP C[C@@H](CN1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1)CS(C)(=O)=O 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CWWFIBCGDAYDFA-RRFJBIMHSA-N 2 0 340.468 -0.594 20 0 EBADRP CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319930 835537733 /nfs/dbraw/zinc/53/77/33/835537733.db2.gz QXNWRPDAEOLYKZ-BPLDGKMQSA-N 2 0 329.441 -0.707 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[N@H+](CCOCCO)CC1 ZINC001198113233 835642654 /nfs/dbraw/zinc/64/26/54/835642654.db2.gz OZLPHKXMFNBQAC-MRXNPFEDSA-N 2 0 343.468 -0.502 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O ZINC001198699484 835711307 /nfs/dbraw/zinc/71/13/07/835711307.db2.gz SVJWXMYZMVKMRM-FVQBIDKESA-N 2 0 325.453 -0.084 20 0 EBADRP Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199057065 835757786 /nfs/dbraw/zinc/75/77/86/835757786.db2.gz DNANLTIQUAWYKR-IAGOWNOFSA-N 2 0 349.479 0.000 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199071532 835759721 /nfs/dbraw/zinc/75/97/21/835759721.db2.gz YJYTWRIKXUGMIL-RRFJBIMHSA-N 2 0 329.441 -0.969 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199071531 835760561 /nfs/dbraw/zinc/76/05/61/835760561.db2.gz YJYTWRIKXUGMIL-RBSFLKMASA-N 2 0 329.441 -0.969 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001200123601 835913800 /nfs/dbraw/zinc/91/38/00/835913800.db2.gz QDBCNBXEVOXAMN-GJZGRUSLSA-N 2 0 336.440 -0.421 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001200479246 835973269 /nfs/dbraw/zinc/97/32/69/835973269.db2.gz OWJVKFVVEICXQV-KGLIPLIRSA-N 2 0 326.441 -0.448 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001200634869 835999005 /nfs/dbraw/zinc/99/90/05/835999005.db2.gz NAOGJGUUWYEBPI-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCCO1 ZINC001200688680 836017263 /nfs/dbraw/zinc/01/72/63/836017263.db2.gz TYKHIRXZRSKCPK-KBPBESRZSA-N 2 0 340.468 -0.188 20 0 EBADRP CC[C@H](C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC2CC2)C1)[NH+](C)C ZINC001200794396 836034960 /nfs/dbraw/zinc/03/49/60/836034960.db2.gz CBRKKFYIMFLTFI-HUUCEWRRSA-N 2 0 340.468 -0.188 20 0 EBADRP CC[C@H](C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001200794817 836035037 /nfs/dbraw/zinc/03/50/37/836035037.db2.gz FVKZIWNLSXYCDH-UONOGXRCSA-N 2 0 328.457 -0.378 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001200796047 836036887 /nfs/dbraw/zinc/03/68/87/836036887.db2.gz RLISBTRDFVDSNN-OAHLLOKOSA-N 2 0 343.468 -0.456 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1)C1CC1 ZINC001201052940 836086074 /nfs/dbraw/zinc/08/60/74/836086074.db2.gz IJMWBDRGVXYBRP-ZDUSSCGKSA-N 2 0 325.413 -0.898 20 0 EBADRP COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001201137714 836100072 /nfs/dbraw/zinc/10/00/72/836100072.db2.gz BIFRUTXSBMZZIP-SOUVJXGZSA-N 2 0 329.441 -0.705 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001201137711 836100117 /nfs/dbraw/zinc/10/01/17/836100117.db2.gz BIFRUTXSBMZZIP-QLFBSQMISA-N 2 0 329.441 -0.705 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1 ZINC001201262658 836120186 /nfs/dbraw/zinc/12/01/86/836120186.db2.gz VPDIJDDIBWFWIJ-ZDUSSCGKSA-N 2 0 326.441 -0.719 20 0 EBADRP CC[C@@H]([NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CCCO1)C(N)=O ZINC001201277806 836122003 /nfs/dbraw/zinc/12/20/03/836122003.db2.gz XWRPHKFPHPXFRF-UONOGXRCSA-N 2 0 328.457 -0.201 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCCO[C@H](C[NH2+]CCn2cncn2)C1 ZINC001201277240 836122203 /nfs/dbraw/zinc/12/22/03/836122203.db2.gz OKWDIBAMVIRZNX-OAHLLOKOSA-N 2 0 338.456 -0.173 20 0 EBADRP C[NH+](C)CCC(=O)N1CCCO[C@@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001201318446 836128290 /nfs/dbraw/zinc/12/82/90/836128290.db2.gz NAXADIQQNRFCKY-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[NH+](C)CCC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NCC2CC2)C1 ZINC001201333634 836129418 /nfs/dbraw/zinc/12/94/18/836129418.db2.gz BAFOEMJAIVJAKB-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)CCCO1 ZINC001201403432 836141021 /nfs/dbraw/zinc/14/10/21/836141021.db2.gz LOUPASBSFQHTRT-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001201679343 836175718 /nfs/dbraw/zinc/17/57/18/836175718.db2.gz WHJHENNEQORYCM-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCCO1 ZINC001201711807 836182309 /nfs/dbraw/zinc/18/23/09/836182309.db2.gz IRPNENTVQQCROZ-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CCCO[C@H](C[NH2+]CCCO)C2)CC1 ZINC001201725435 836183590 /nfs/dbraw/zinc/18/35/90/836183590.db2.gz BYZFQQBPZSTDFZ-MRXNPFEDSA-N 2 0 343.468 -0.313 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCCO[C@@H](C[NH2+]Cc2cnnn2C)C1 ZINC001201801439 836194442 /nfs/dbraw/zinc/19/44/42/836194442.db2.gz YHMNBFCRIRQSFL-HNNXBMFYSA-N 2 0 338.456 -0.136 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001201811092 836195753 /nfs/dbraw/zinc/19/57/53/836195753.db2.gz VOUXCSCGGYQMRR-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCCO[C@@H](C[NH2+]CCOCCO)C1 ZINC001201809206 836196009 /nfs/dbraw/zinc/19/60/09/836196009.db2.gz KTHOMQKJICRBGJ-HNNXBMFYSA-N 2 0 331.457 -0.456 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CCCO1 ZINC001201870519 836208479 /nfs/dbraw/zinc/20/84/79/836208479.db2.gz AIPGFAGHXBSZKW-CYBMUJFWSA-N 2 0 349.435 -0.286 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCCO[C@@H](C[NH2+]CCOCCO)C1 ZINC001201924468 836216636 /nfs/dbraw/zinc/21/66/36/836216636.db2.gz MOTBMZHEVPEWMQ-INIZCTEOSA-N 2 0 345.484 -0.066 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCCO[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001201925000 836216724 /nfs/dbraw/zinc/21/67/24/836216724.db2.gz WFURRRFVSCPTHH-OAHLLOKOSA-N 2 0 338.456 -0.136 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCCO[C@@H](C[NH2+]C[C@H](O)COC)C1 ZINC001201924181 836216936 /nfs/dbraw/zinc/21/69/36/836216936.db2.gz DRRVIMPEQHCGSB-HOTGVXAUSA-N 2 0 345.484 -0.067 20 0 EBADRP CS(=O)(=O)CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202048834 836241405 /nfs/dbraw/zinc/24/14/05/836241405.db2.gz HPHRMLDMTDKYPZ-CQSZACIVSA-N 2 0 347.481 -0.666 20 0 EBADRP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202050714 836242259 /nfs/dbraw/zinc/24/22/59/836242259.db2.gz WVIKLVQQUMAMFZ-LSDHHAIUSA-N 2 0 329.441 -0.703 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202058229 836246082 /nfs/dbraw/zinc/24/60/82/836246082.db2.gz IQCXDHHBMUYPDW-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP CCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202060539 836247703 /nfs/dbraw/zinc/24/77/03/836247703.db2.gz ZLZDMTAKERIKPO-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP CN(CC[NH2+]C1CCN(C(=O)CCC[NH+](C)C)CC1)S(C)(=O)=O ZINC001202217095 836277198 /nfs/dbraw/zinc/27/71/98/836277198.db2.gz IMRLFNDOGWZRMD-UHFFFAOYSA-N 2 0 348.513 -0.200 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001202239176 836283918 /nfs/dbraw/zinc/28/39/18/836283918.db2.gz SFFCYYSYCSHWOL-GFCCVEGCSA-N 2 0 341.456 -0.247 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCC([NH2+]CCS(C)(=O)=O)CC2)CC1 ZINC001202302023 836291134 /nfs/dbraw/zinc/29/11/34/836291134.db2.gz JWZHSWXGDZZYRH-UHFFFAOYSA-N 2 0 331.482 -0.047 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202331359 836291965 /nfs/dbraw/zinc/29/19/65/836291965.db2.gz PMPYMEIUJJDTPW-LLVKDONJSA-N 2 0 327.429 -0.637 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001202496151 836308207 /nfs/dbraw/zinc/30/82/07/836308207.db2.gz OYISSJNCQHWOHY-NSHDSACASA-N 2 0 325.413 -0.896 20 0 EBADRP Cn1[nH]c(C[NH2+][C@@H]2C[C@@H](NC(=O)CC[NH+](C)C)C23CCC3)nc1=O ZINC001203357392 836424563 /nfs/dbraw/zinc/42/45/63/836424563.db2.gz FKJRUNUBSLFZFD-VXGBXAGGSA-N 2 0 336.440 -0.423 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)COCC[NH+](C)C)C12CCC2 ZINC001203614827 836454276 /nfs/dbraw/zinc/45/42/76/836454276.db2.gz LFXDUGFZJGLDSW-OLZOCXBDSA-N 2 0 326.441 -0.672 20 0 EBADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1)C(=O)NC(N)=O ZINC001203699725 836462915 /nfs/dbraw/zinc/46/29/15/836462915.db2.gz QYHJFOMGFDPAGK-MNOVXSKESA-N 2 0 325.413 -0.898 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCC([NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC001203715075 836466282 /nfs/dbraw/zinc/46/62/82/836466282.db2.gz ZPXFBRBSIXPSAK-MRXNPFEDSA-N 2 0 335.452 -0.080 20 0 EBADRP COCCOC[C@H](O)C[NH2+]C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001203924535 836488802 /nfs/dbraw/zinc/48/88/02/836488802.db2.gz BRXWMUMUAKHSOE-MRXNPFEDSA-N 2 0 345.484 -0.069 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCN2CCNC2=O)CC1 ZINC001204798040 836530229 /nfs/dbraw/zinc/53/02/29/836530229.db2.gz DLMJFCYAUQRFSA-OAHLLOKOSA-N 2 0 337.468 -0.066 20 0 EBADRP C[NH+](C)C1(C(=O)N2CCC(C[NH2+]CC(=O)NC(N)=O)CC2)CCC1 ZINC001205457645 836568232 /nfs/dbraw/zinc/56/82/32/836568232.db2.gz IVLZELWTYATTIP-UHFFFAOYSA-N 2 0 339.440 -0.506 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1)[NH+](C)C ZINC001205490778 836571951 /nfs/dbraw/zinc/57/19/51/836571951.db2.gz YRNWTPDDVOYQPH-AWEZNQCLSA-N 2 0 341.456 -0.404 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001206281166 836635585 /nfs/dbraw/zinc/63/55/85/836635585.db2.gz DDHOLJZELCEEDE-AAEUAGOBSA-N 2 0 339.440 -0.793 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CCC(C[NH2+]CC(N)=O)CC2)cn1 ZINC001206548016 836654610 /nfs/dbraw/zinc/65/46/10/836654610.db2.gz MSPTUMMMGZEQDF-UHFFFAOYSA-N 2 0 336.440 -0.628 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001206654025 836665915 /nfs/dbraw/zinc/66/59/15/836665915.db2.gz SMQGMCILOOSOSX-UHFFFAOYSA-N 2 0 327.429 -0.649 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC(C[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001206654023 836666556 /nfs/dbraw/zinc/66/65/56/836666556.db2.gz SJMASTYFCVWJQC-CQSZACIVSA-N 2 0 338.452 -0.038 20 0 EBADRP C[C@H]([NH2+]CC1CCN(C(=O)COC2CC[NH+](C)CC2)CC1)C(N)=O ZINC001206698636 836671340 /nfs/dbraw/zinc/67/13/40/836671340.db2.gz NWZLYZUOIVZNAI-ZDUSSCGKSA-N 2 0 340.468 -0.201 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC(C[NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001206890480 836694431 /nfs/dbraw/zinc/69/44/31/836694431.db2.gz UADPJLKYDPNGNB-LBPRGKRZSA-N 2 0 341.456 -0.260 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]CCNS(C)(=O)=O)CC2)C1 ZINC001206929131 836715487 /nfs/dbraw/zinc/71/54/87/836715487.db2.gz VUSXOMFZLHRTKD-AWEZNQCLSA-N 2 0 346.497 -0.685 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001208063675 836938883 /nfs/dbraw/zinc/93/88/83/836938883.db2.gz RSGXHGSKYCQYRS-STQMWFEESA-N 2 0 337.424 -0.896 20 0 EBADRP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208448128 837042353 /nfs/dbraw/zinc/04/23/53/837042353.db2.gz VZPLJZQZCOYYKS-GDBMZVCRSA-N 2 0 342.484 -0.083 20 0 EBADRP COCCOC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209325027 837157786 /nfs/dbraw/zinc/15/77/86/837157786.db2.gz WJZRZLUWQAVEKC-JKSUJKDBSA-N 2 0 345.484 -0.067 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1)C(=O)NC(N)=O ZINC001209419506 837166401 /nfs/dbraw/zinc/16/64/01/837166401.db2.gz NDKIUTQEIPKVGG-WCQYABFASA-N 2 0 339.440 -0.508 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001209453524 837167527 /nfs/dbraw/zinc/16/75/27/837167527.db2.gz AFGREDKSGDKMJP-ZDUSSCGKSA-N 2 0 339.440 -0.539 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001209640994 837183710 /nfs/dbraw/zinc/18/37/10/837183710.db2.gz GKXOANRMYIELLG-KGLIPLIRSA-N 2 0 346.497 -0.542 20 0 EBADRP C[NH+]1CCC(CC(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001209951853 837219626 /nfs/dbraw/zinc/21/96/26/837219626.db2.gz NWMHJPZLKAQBEZ-ZDUSSCGKSA-N 2 0 339.440 -0.506 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001210040190 837227896 /nfs/dbraw/zinc/22/78/96/837227896.db2.gz CJNVEBBFNABODK-ZIAGYGMSSA-N 2 0 325.457 -0.210 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001210221259 837256149 /nfs/dbraw/zinc/25/61/49/837256149.db2.gz YPODUNPLXVMXRC-ZDUSSCGKSA-N 2 0 339.440 -0.539 20 0 EBADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210321732 837271942 /nfs/dbraw/zinc/27/19/42/837271942.db2.gz KKNQWCITFSAMFW-MGPQQGTHSA-N 2 0 328.457 -0.522 20 0 EBADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001210338546 837272361 /nfs/dbraw/zinc/27/23/61/837272361.db2.gz FYZZAGTTXLFBNM-UONOGXRCSA-N 2 0 340.468 -0.188 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1C ZINC001210521636 837292501 /nfs/dbraw/zinc/29/25/01/837292501.db2.gz MAAVYLLRCCEKOM-GDBMZVCRSA-N 2 0 342.484 -0.083 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001210678885 837317904 /nfs/dbraw/zinc/31/79/04/837317904.db2.gz XMEUBBXVVNQAQO-ZDUSSCGKSA-N 2 0 335.470 -0.810 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001210796761 837332816 /nfs/dbraw/zinc/33/28/16/837332816.db2.gz JOLCKUIQXWXSSB-OLZOCXBDSA-N 2 0 341.456 -0.118 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CCNS(=O)(=O)CC)C1 ZINC001210812186 837333546 /nfs/dbraw/zinc/33/35/46/837333546.db2.gz UJPNPLOURKDAAR-CQSZACIVSA-N 2 0 348.513 -0.152 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001210811917 837334118 /nfs/dbraw/zinc/33/41/18/837334118.db2.gz ROKUHWOVHYOFNG-CQSZACIVSA-N 2 0 325.457 -0.066 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211080471 837380139 /nfs/dbraw/zinc/38/01/39/837380139.db2.gz CPWFFADBESKLCC-CQSZACIVSA-N 2 0 346.497 -0.398 20 0 EBADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211081160 837380902 /nfs/dbraw/zinc/38/09/02/837380902.db2.gz IYPLNLBHSRDHSV-CVEARBPZSA-N 2 0 343.468 -0.313 20 0 EBADRP CO[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213729964 837854005 /nfs/dbraw/zinc/85/40/05/837854005.db2.gz ADQLUSRYWPNSKN-BZUAXINKSA-N 2 0 343.468 -0.193 20 0 EBADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730158 837854109 /nfs/dbraw/zinc/85/41/09/837854109.db2.gz GNSLQCSMRWRKMY-HUUCEWRRSA-N 2 0 331.457 -0.193 20 0 EBADRP CO[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728853 837854193 /nfs/dbraw/zinc/85/41/93/837854193.db2.gz WTKPHSGMDLFPPL-ARFHVFGLSA-N 2 0 343.468 -0.193 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213753873 837857989 /nfs/dbraw/zinc/85/79/89/837857989.db2.gz OMWFNPFRLXJKDR-RBSFLKMASA-N 2 0 331.457 -0.459 20 0 EBADRP COCCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213930158 837906368 /nfs/dbraw/zinc/90/63/68/837906368.db2.gz YMJLOASWANADGN-HUUCEWRRSA-N 2 0 331.457 -0.195 20 0 EBADRP CC[NH+]1CCC(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC001319340422 838117283 /nfs/dbraw/zinc/11/72/83/838117283.db2.gz HNQBHQNWDAAKFL-UHFFFAOYSA-N 2 0 336.440 -0.016 20 0 EBADRP C[C@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319460530 838132974 /nfs/dbraw/zinc/13/29/74/838132974.db2.gz OCHWKOAWGHFARD-MGPQQGTHSA-N 2 0 348.513 -0.346 20 0 EBADRP CC(C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCN1C(=O)CNC1=O ZINC001319935901 838196876 /nfs/dbraw/zinc/19/68/76/838196876.db2.gz MQKTZWCSSIJTRW-QWHCGFSZSA-N 2 0 339.440 -0.637 20 0 EBADRP CN(CC[N@H+](C)CCN1C(=O)CNC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001320072508 838222915 /nfs/dbraw/zinc/22/29/15/838222915.db2.gz KXUPJJMFXFYTKC-UHFFFAOYSA-N 2 0 337.424 -0.976 20 0 EBADRP CCN(CC[NH2+]CC(=O)N1CCO[C@H](C)C1)C(=O)CC[NH+](C)C ZINC001320830990 838844571 /nfs/dbraw/zinc/84/45/71/838844571.db2.gz SOEJXHDJRKUIKF-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP CCN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001320891410 838856277 /nfs/dbraw/zinc/85/62/77/838856277.db2.gz ILNMKIHLRWWENJ-UHFFFAOYSA-N 2 0 338.452 -0.621 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC001321353776 838969077 /nfs/dbraw/zinc/96/90/77/838969077.db2.gz DIFIVUBYKRSMAE-UONOGXRCSA-N 2 0 326.441 -0.767 20 0 EBADRP C[C@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001321563664 839020210 /nfs/dbraw/zinc/02/02/10/839020210.db2.gz MHGQKLMKMFZIJK-CYBMUJFWSA-N 2 0 346.497 -0.494 20 0 EBADRP CON(C)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001322046195 839130320 /nfs/dbraw/zinc/13/03/20/839130320.db2.gz CHEUVKPJFDPULI-UHFFFAOYSA-N 2 0 335.408 -0.270 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001322845116 839284733 /nfs/dbraw/zinc/28/47/33/839284733.db2.gz WRRYAVWJZAACTD-UHFFFAOYSA-N 2 0 341.456 -0.244 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[NH+]2CCC[C@H]2C1 ZINC001322961299 839306631 /nfs/dbraw/zinc/30/66/31/839306631.db2.gz FTQDYIJPDGGDNX-LSDHHAIUSA-N 2 0 337.468 -0.955 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCNS(C)(=O)=O)[NH+](C)C ZINC001324180516 839602084 /nfs/dbraw/zinc/60/20/84/839602084.db2.gz JNHCONZIDJAVCK-QWHCGFSZSA-N 2 0 334.486 -0.544 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CCCN2C(=O)CCCC[NH+](C)C)nc1=O ZINC001324259770 839618692 /nfs/dbraw/zinc/61/86/92/839618692.db2.gz ALKMPDCZVJIUJI-CYBMUJFWSA-N 2 0 338.456 -0.079 20 0 EBADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001325336755 839849346 /nfs/dbraw/zinc/84/93/46/839849346.db2.gz BAIVJNYTYDDLED-KBPBESRZSA-N 2 0 328.457 -0.426 20 0 EBADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001325387604 839857703 /nfs/dbraw/zinc/85/77/03/839857703.db2.gz VMCFLCYXCBXCDN-ZDUSSCGKSA-N 2 0 349.435 -0.147 20 0 EBADRP C[C@@H]1C[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC001325646089 839905227 /nfs/dbraw/zinc/90/52/27/839905227.db2.gz HZBXQHHZVOGDQO-CABCVRRESA-N 2 0 342.484 -0.131 20 0 EBADRP [NH3+]CCCCn1cc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)nn1 ZINC001326060654 840020156 /nfs/dbraw/zinc/02/01/56/840020156.db2.gz KWNULBVSPBYGSR-AWEZNQCLSA-N 2 0 336.440 -0.189 20 0 EBADRP COc1ncccc1C[NH2+]CCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001326146455 840048104 /nfs/dbraw/zinc/04/81/04/840048104.db2.gz LPWMYPZQGVWXEC-HNNXBMFYSA-N 2 0 336.436 -0.048 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001326413178 840102004 /nfs/dbraw/zinc/10/20/04/840102004.db2.gz XMTSFXIAXUTODZ-CHWSQXEVSA-N 2 0 341.456 -0.390 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC001326426052 840105249 /nfs/dbraw/zinc/10/52/49/840105249.db2.gz FGLWKNPEUAFCGC-ZDUSSCGKSA-N 2 0 348.451 -0.016 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC001326560241 840135616 /nfs/dbraw/zinc/13/56/16/840135616.db2.gz HITRCIAYHWZSBI-ZNMIVQPWSA-N 2 0 340.468 -0.249 20 0 EBADRP C[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC001326590553 840142901 /nfs/dbraw/zinc/14/29/01/840142901.db2.gz LRGPOVUSBISGHC-CHWSQXEVSA-N 2 0 336.440 -0.113 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@@](CO)([NH2+]CCCO)C1 ZINC001327606689 840471097 /nfs/dbraw/zinc/47/10/97/840471097.db2.gz GASCWMZDWMFTHX-DOTOQJQBSA-N 2 0 343.468 -0.720 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)CN(CC[NH3+])Cc1ccccc1 ZINC001328592850 840712413 /nfs/dbraw/zinc/71/24/13/840712413.db2.gz AAPGETZSOVXNFD-QGZVFWFLSA-N 2 0 333.480 -0.191 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001329070488 840833123 /nfs/dbraw/zinc/83/31/23/840833123.db2.gz QZRIIPBOQXWILW-ZDUSSCGKSA-N 2 0 326.441 -0.589 20 0 EBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC001329437760 840919633 /nfs/dbraw/zinc/91/96/33/840919633.db2.gz LZGZAZOFJRIXEV-CQSZACIVSA-N 2 0 331.420 -0.360 20 0 EBADRP [NH3+]C1(CNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CCOCC1 ZINC001330023990 841097201 /nfs/dbraw/zinc/09/72/01/841097201.db2.gz LNQQOUUSTPNNTA-UHFFFAOYSA-N 2 0 338.452 -0.399 20 0 EBADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001330054125 841103861 /nfs/dbraw/zinc/10/38/61/841103861.db2.gz YTOAKUBOSWUJFS-STQMWFEESA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC001330868071 841286644 /nfs/dbraw/zinc/28/66/44/841286644.db2.gz XQSJVGSMZPXUEP-ZDUSSCGKSA-N 2 0 326.441 -0.447 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001330918863 841295614 /nfs/dbraw/zinc/29/56/14/841295614.db2.gz UAGJCPIEZYLPSB-OLZOCXBDSA-N 2 0 341.456 -0.342 20 0 EBADRP C[C@@H]([NH2+]CCC[C@H](C)NC(=O)C[NH+]1CCCC1)C(=O)NC(N)=O ZINC001330977736 841305010 /nfs/dbraw/zinc/30/50/10/841305010.db2.gz UEYFZAHWPDAGFF-NWDGAFQWSA-N 2 0 327.429 -0.460 20 0 EBADRP CN(CCOCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC(=O)N(C)C ZINC001331123184 841344763 /nfs/dbraw/zinc/34/47/63/841344763.db2.gz QCATVCBMPOSFLZ-OAHLLOKOSA-N 2 0 340.468 -0.519 20 0 EBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1(C)C ZINC001331169530 841362664 /nfs/dbraw/zinc/36/26/64/841362664.db2.gz WITIRNMRJLEBHJ-UONOGXRCSA-N 2 0 339.484 -0.485 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001331620337 841442396 /nfs/dbraw/zinc/44/23/96/841442396.db2.gz UZPWCVOVCHEUDS-KFWWJZLASA-N 2 0 339.484 -0.770 20 0 EBADRP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCS(=O)(=O)N(C)C ZINC001331633053 841445535 /nfs/dbraw/zinc/44/55/35/841445535.db2.gz UKDVIYXZQJRDGR-ZIAGYGMSSA-N 2 0 348.513 -0.344 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]CCCN2CCCC2=O)CC1 ZINC001331774581 841494178 /nfs/dbraw/zinc/49/41/78/841494178.db2.gz NAVLJZDEUPYJDL-OAHLLOKOSA-N 2 0 340.468 -0.593 20 0 EBADRP C[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)CN1C(=O)CC[NH+](C)C ZINC001332028411 841553233 /nfs/dbraw/zinc/55/32/33/841553233.db2.gz NUPUZHBESBHVQV-RYUDHWBXSA-N 2 0 325.413 -0.931 20 0 EBADRP C[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)CN1C(=O)CC[NH+](C)C ZINC001332028409 841553424 /nfs/dbraw/zinc/55/34/24/841553424.db2.gz NUPUZHBESBHVQV-NWDGAFQWSA-N 2 0 325.413 -0.931 20 0 EBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001332269165 841602654 /nfs/dbraw/zinc/60/26/54/841602654.db2.gz DPTHOKKWWLWBMB-KBPBESRZSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001332345856 841620661 /nfs/dbraw/zinc/62/06/61/841620661.db2.gz MBKLVKXEIRQHOK-UONOGXRCSA-N 2 0 340.468 -0.058 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]CCNS(C)(=O)=O)C(C)(C)C1 ZINC001332405479 841635330 /nfs/dbraw/zinc/63/53/30/841635330.db2.gz RNLIWRIMEBBMKT-OLZOCXBDSA-N 2 0 346.497 -0.544 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)C[NH2+]CCN2CCCC2=O)C1 ZINC001332566220 841672447 /nfs/dbraw/zinc/67/24/47/841672447.db2.gz MPLRRGRQQJWISD-HUUCEWRRSA-N 2 0 340.468 -0.641 20 0 EBADRP CN(CCOCC[NH2+][C@H]1CCCN(C)C1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001333266197 841839424 /nfs/dbraw/zinc/83/94/24/841839424.db2.gz DDWJDYRYQQXRJZ-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)NCC[NH+]2CCC(O)CC2)CC1 ZINC001333693738 841928172 /nfs/dbraw/zinc/92/81/72/841928172.db2.gz NZNMGNNSOFVNLP-UHFFFAOYSA-N 2 0 341.500 -0.230 20 0 EBADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001333912673 841965247 /nfs/dbraw/zinc/96/52/47/841965247.db2.gz LZHITDCADFWXEW-BYNSBNAKSA-N 2 0 336.436 -0.947 20 0 EBADRP O=C(NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001333912656 841965467 /nfs/dbraw/zinc/96/54/67/841965467.db2.gz LZHITDCADFWXEW-AJNGGQMLSA-N 2 0 336.436 -0.947 20 0 EBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)C1 ZINC001334787439 842130632 /nfs/dbraw/zinc/13/06/32/842130632.db2.gz FUXBFMMHCWNZMQ-AWEZNQCLSA-N 2 0 340.468 -0.247 20 0 EBADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC001334788627 842131506 /nfs/dbraw/zinc/13/15/06/842131506.db2.gz QLSDYJMXMMIQEG-ZNMIVQPWSA-N 2 0 338.452 -0.888 20 0 EBADRP CC[NH+]1CCC(NC(=O)CN2CC[NH+](CCCCO)CC2)CC1 ZINC001335060788 842180304 /nfs/dbraw/zinc/18/03/04/842180304.db2.gz LEZNYOLNLCTPIG-UHFFFAOYSA-N 2 0 326.485 -0.023 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC001335208610 842225389 /nfs/dbraw/zinc/22/53/89/842225389.db2.gz YGKPDUKRHODQAD-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+](C)CC(C)C ZINC001335216629 842228195 /nfs/dbraw/zinc/22/81/95/842228195.db2.gz MEOOYHAUHXQFAD-OAHLLOKOSA-N 2 0 342.484 -0.083 20 0 EBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001335233720 842235484 /nfs/dbraw/zinc/23/54/84/842235484.db2.gz HBGSHFKMLWUCRF-HZSPNIEDSA-N 2 0 326.441 -0.842 20 0 EBADRP O=C(NCCCN1CC[NH2+]CC1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001336117188 842398374 /nfs/dbraw/zinc/39/83/74/842398374.db2.gz PYKNMKPPPGMCRH-HNNXBMFYSA-N 2 0 339.484 -0.260 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC001337455748 842616768 /nfs/dbraw/zinc/61/67/68/842616768.db2.gz QSNNXLGCNQATRF-NEPJUHHUSA-N 2 0 348.394 -0.816 20 0 EBADRP Cc1ncncc1NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001338152230 842758813 /nfs/dbraw/zinc/75/88/13/842758813.db2.gz AODKJSADKLPPSA-ZIAGYGMSSA-N 2 0 348.451 -0.079 20 0 EBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)CC[N@@H+]1C ZINC001338276695 842774663 /nfs/dbraw/zinc/77/46/63/842774663.db2.gz FCXOUXOBLBDSMX-STQMWFEESA-N 2 0 326.441 -0.448 20 0 EBADRP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCCN2CCC([NH3+])CC2)CC[N@@H+]1C ZINC001338327550 842783076 /nfs/dbraw/zinc/78/30/76/842783076.db2.gz KNELLYNDBIWEPM-HIFRSBDPSA-N 2 0 339.484 -0.533 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)N2CCNCC[NH2+]CC2)CCCO1 ZINC001338594321 842839543 /nfs/dbraw/zinc/83/95/43/842839543.db2.gz CTWJEOUDEUKVGS-HNNXBMFYSA-N 2 0 327.473 -0.308 20 0 EBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001340075166 842968444 /nfs/dbraw/zinc/96/84/44/842968444.db2.gz MZGXVQHPZNAIAV-IHRRRGAJSA-N 2 0 328.457 -0.738 20 0 EBADRP O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)NCCC[NH+]1CCCC1 ZINC001340148984 842976360 /nfs/dbraw/zinc/97/63/60/842976360.db2.gz AMLDACANKLTPFD-MGPQQGTHSA-N 2 0 329.466 -0.389 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001340206390 842981733 /nfs/dbraw/zinc/98/17/33/842981733.db2.gz RWNVUTPNDOSJLG-PBHICJAKSA-N 2 0 340.468 -0.450 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001341394563 843084289 /nfs/dbraw/zinc/08/42/89/843084289.db2.gz BYTSXERZIYAZLG-HNNXBMFYSA-N 2 0 327.473 -0.818 20 0 EBADRP CN1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1=O ZINC001341680952 843105540 /nfs/dbraw/zinc/10/55/40/843105540.db2.gz PZULWCBNCASSIF-QLFBSQMISA-N 2 0 336.436 -0.729 20 0 EBADRP C[NH+]1CCC(NC(=O)C(=O)NCCCCCN2CC[NH2+]CC2)CC1 ZINC001345899393 843461328 /nfs/dbraw/zinc/46/13/28/843461328.db2.gz QDXODOIGOYMTNC-UHFFFAOYSA-N 2 0 339.484 -0.612 20 0 EBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC001345930211 843463188 /nfs/dbraw/zinc/46/31/88/843463188.db2.gz BRCDCIBGSDKDNT-FUHWJXTLSA-N 2 0 349.523 -0.139 20 0 EBADRP C[NH+]1CCC(O)(C[NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC001346250503 843491830 /nfs/dbraw/zinc/49/18/30/843491830.db2.gz FCIZBWWRLWOJCN-CYBMUJFWSA-N 2 0 347.415 -0.310 20 0 EBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)CC[NH+](C)C1CCN(C)CC1 ZINC001346495120 843523020 /nfs/dbraw/zinc/52/30/20/843523020.db2.gz KXLIMZMJHABSJD-RDJZCZTQSA-N 2 0 337.512 -0.141 20 0 EBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)CCC[NH+](C)CCN(C)C ZINC001346983023 843574725 /nfs/dbraw/zinc/57/47/25/843574725.db2.gz AEYVKMNIDAPRGB-JKSUJKDBSA-N 2 0 325.501 -0.283 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001347062903 843584654 /nfs/dbraw/zinc/58/46/54/843584654.db2.gz LGXUXLNTMRWVCL-YUTCNCBUSA-N 2 0 326.441 -0.796 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001348239908 843673895 /nfs/dbraw/zinc/67/38/95/843673895.db2.gz TVNBEMTYQVQMFD-UHFFFAOYSA-N 2 0 328.457 -0.424 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC001348321971 843682368 /nfs/dbraw/zinc/68/23/68/843682368.db2.gz SVYLMRZDUCDWJF-ZDUSSCGKSA-N 2 0 333.436 -0.032 20 0 EBADRP CN(CCCCCC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001350003936 843956578 /nfs/dbraw/zinc/95/65/78/843956578.db2.gz FYRRKUCTEADXGA-CQSZACIVSA-N 2 0 327.473 -0.674 20 0 EBADRP CCN(C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)[C@@H]1CC[NH2+]C1 ZINC001350029358 843959826 /nfs/dbraw/zinc/95/98/26/843959826.db2.gz RMLFRTDNDGIMOI-OAHLLOKOSA-N 2 0 339.484 -0.659 20 0 EBADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001575144246 952164358 /nfs/dbraw/zinc/16/43/58/952164358.db2.gz HGTHEXPJPXDLPL-RYUDHWBXSA-N 2 0 344.423 -0.106 20 0 EBADRP C[C@H](C(=O)NC(N)=O)N(C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001480903104 1125848412 /nfs/dbraw/zinc/84/84/12/1125848412.db2.gz NJDKTEZOIRXRNZ-TUAOUCFPSA-N 2 0 327.429 -0.652 20 0 EBADRP CN(C)C(=O)C[NH2+]CCN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001691362893 1125853871 /nfs/dbraw/zinc/85/38/71/1125853871.db2.gz PJHGPMXHMSXQHB-UHFFFAOYSA-N 2 0 328.457 -0.519 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001691377736 1125855340 /nfs/dbraw/zinc/85/53/40/1125855340.db2.gz RXKZQQXAAMKJTK-UHFFFAOYSA-N 2 0 325.413 -0.882 20 0 EBADRP CN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)CC(=O)NC[C@@H]1CCCO1 ZINC001480935509 1125881842 /nfs/dbraw/zinc/88/18/42/1125881842.db2.gz OKEFFZHWRPKSIR-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP CN(CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CN(C)CCO1 ZINC001408618386 1125892007 /nfs/dbraw/zinc/89/20/07/1125892007.db2.gz YHZPDZOYLVQYRJ-UONOGXRCSA-N 2 0 326.441 -0.624 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001481095914 1125920694 /nfs/dbraw/zinc/92/06/94/1125920694.db2.gz NHDNGGQXAMXSPB-NWDGAFQWSA-N 2 0 345.419 -0.701 20 0 EBADRP CN(CC[NH2+]CC[C@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001481215465 1125945097 /nfs/dbraw/zinc/94/50/97/1125945097.db2.gz JNGPMPGCECIAKK-UONOGXRCSA-N 2 0 331.482 -0.047 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001481275037 1125961692 /nfs/dbraw/zinc/96/16/92/1125961692.db2.gz AWPOZYOIPVMDGI-GFCCVEGCSA-N 2 0 341.456 -0.390 20 0 EBADRP C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001496364172 1125961017 /nfs/dbraw/zinc/96/10/17/1125961017.db2.gz RGHQOFKESZDKLW-UONOGXRCSA-N 2 0 348.513 -0.296 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001481727696 1126046209 /nfs/dbraw/zinc/04/62/09/1126046209.db2.gz NAMWRSDOENDRPD-STQMWFEESA-N 2 0 339.440 -0.413 20 0 EBADRP CN(C(=O)C[N@H+](C)C1CCC1)[C@@H]1CCN(CCNS(C)(=O)=O)C1 ZINC001481728558 1126046793 /nfs/dbraw/zinc/04/67/93/1126046793.db2.gz XMBNHMYTLWNRDD-CQSZACIVSA-N 2 0 346.497 -0.447 20 0 EBADRP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CCN1C(=O)CNC1=O ZINC001481819400 1126059102 /nfs/dbraw/zinc/05/91/02/1126059102.db2.gz VWTFMFCRLRZMFQ-GFCCVEGCSA-N 2 0 339.440 -0.493 20 0 EBADRP C[C@@H]1CCCC[C@]1(C[NH2+]CC(=O)NC(N)=O)NC(=O)CC[NH+](C)C ZINC001481962348 1126069466 /nfs/dbraw/zinc/06/94/66/1126069466.db2.gz QTZJPBGYTNMTRA-MLGOLLRUSA-N 2 0 341.456 -0.212 20 0 EBADRP Cc1nnc(C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)C[NH+]2CCOCC2)[nH]1 ZINC001482167170 1126089518 /nfs/dbraw/zinc/08/95/18/1126089518.db2.gz CGSNNUCKFCVVEU-CHWSQXEVSA-N 2 0 338.456 -0.077 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CC(=O)NC(N)=O)CCCC2)C1 ZINC001482235764 1126109719 /nfs/dbraw/zinc/10/97/19/1126109719.db2.gz SBRCQCNJFCUDGC-LBPRGKRZSA-N 2 0 339.440 -0.458 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(=O)NC)CC[N@@H+]1C ZINC001482290144 1126120547 /nfs/dbraw/zinc/12/05/47/1126120547.db2.gz YZLLMKHSCULYJV-RWMBFGLXSA-N 2 0 341.456 -0.391 20 0 EBADRP C[C@@H](C[NH2+]CCN1C(=O)CCC1=O)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001482324017 1126130989 /nfs/dbraw/zinc/13/09/89/1126130989.db2.gz SVDSHOABPDCKSL-ZDUSSCGKSA-N 2 0 338.452 -0.086 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)N1CCOCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482364343 1126138994 /nfs/dbraw/zinc/13/89/94/1126138994.db2.gz HNMAWXDHJBTPDN-UONOGXRCSA-N 2 0 326.441 -0.767 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001648970728 1126184762 /nfs/dbraw/zinc/18/47/62/1126184762.db2.gz VUPKPLJOGQNWDY-YDHLFZDLSA-N 2 0 326.441 -0.545 20 0 EBADRP CN(CCN(C)[C@H]1CCNC1=O)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001482598222 1126230143 /nfs/dbraw/zinc/23/01/43/1126230143.db2.gz FXXNTBGSNRSNEJ-AWEZNQCLSA-N 2 0 336.440 -0.663 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001482775120 1126284958 /nfs/dbraw/zinc/28/49/58/1126284958.db2.gz OGMOOCYXMKEDCI-LSDHHAIUSA-N 2 0 340.468 -0.452 20 0 EBADRP O=C(NC[C@@H](O)C[NH2+]CCOCC(F)(F)F)C12CC[NH+](CC1)C2 ZINC001482785061 1126290389 /nfs/dbraw/zinc/29/03/89/1126290389.db2.gz FSYAQFPKUJNOER-NSHDSACASA-N 2 0 339.358 -0.272 20 0 EBADRP CCN(CC[NH2+][C@@H](C)C(=O)N(C)C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001482968764 1126307625 /nfs/dbraw/zinc/30/76/25/1126307625.db2.gz WXJCLNHOLYJTSN-GJZGRUSLSA-N 2 0 342.484 -0.131 20 0 EBADRP CNC(=O)[C@H](C)[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001691593971 1126323768 /nfs/dbraw/zinc/32/37/68/1126323768.db2.gz UQQFRAJKFFHIEW-KBPBESRZSA-N 2 0 328.457 -0.378 20 0 EBADRP Cn1[nH]c(C[NH2+]CC2CC(NC(=O)C3(C[NH+](C)C)CC3)C2)nc1=O ZINC001409276958 1126335821 /nfs/dbraw/zinc/33/58/21/1126335821.db2.gz UMXSGIODXYBJBO-UHFFFAOYSA-N 2 0 336.440 -0.565 20 0 EBADRP C[C@H](C[NH2+]CCCS(=O)(=O)N(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483129404 1126339315 /nfs/dbraw/zinc/33/93/15/1126339315.db2.gz XRLUWNVETYGAJC-MGPQQGTHSA-N 2 0 348.513 -0.298 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001483142999 1126345867 /nfs/dbraw/zinc/34/58/67/1126345867.db2.gz OSGYUPUYSCDCKZ-LLVKDONJSA-N 2 0 341.456 -0.071 20 0 EBADRP C[C@H](C[NH2+]CC(=O)Nc1nncs1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001483166812 1126349502 /nfs/dbraw/zinc/34/95/02/1126349502.db2.gz PJYDYYUETNLKBN-WDEREUQCSA-N 2 0 340.453 -0.087 20 0 EBADRP C[C@H](C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)NC(=O)C[NH+]1CCCC1 ZINC001483192939 1126352240 /nfs/dbraw/zinc/35/22/40/1126352240.db2.gz LJNQBXPHRTUAFG-KGLIPLIRSA-N 2 0 346.497 -0.542 20 0 EBADRP C[C@@H](C[NH2+]CCCS(=O)(=O)N(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001483214609 1126354395 /nfs/dbraw/zinc/35/43/95/1126354395.db2.gz DDGPNEXYVCSYEW-QWHCGFSZSA-N 2 0 334.486 -0.544 20 0 EBADRP C[C@@H](C[NH2+]CCCS(=O)(=O)N(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001483214610 1126354408 /nfs/dbraw/zinc/35/44/08/1126354408.db2.gz DDGPNEXYVCSYEW-STQMWFEESA-N 2 0 334.486 -0.544 20 0 EBADRP O=C(N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)[C@]12CC[C@H]1C[NH2+]C2 ZINC001649007488 1126360100 /nfs/dbraw/zinc/36/01/00/1126360100.db2.gz IUUIYKOVSFNDOQ-AZAGILFBSA-N 2 0 347.463 -0.267 20 0 EBADRP O=C(N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)[C@]12CC[C@H]1C[NH2+]C2 ZINC001649007499 1126360008 /nfs/dbraw/zinc/36/00/08/1126360008.db2.gz IUUIYKOVSFNDOQ-FRQROOTJSA-N 2 0 347.463 -0.267 20 0 EBADRP O=C(N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)C12CC[NH+](CC1)C2 ZINC001649008846 1126403185 /nfs/dbraw/zinc/40/31/85/1126403185.db2.gz YVMYIFUTHFCHNY-HUUCEWRRSA-N 2 0 347.463 -0.171 20 0 EBADRP C[NH+](C)C1(C(=O)N[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C2CC2)CCC1 ZINC001483566798 1126435439 /nfs/dbraw/zinc/43/54/39/1126435439.db2.gz UGIJNIBVJDNSJQ-STQMWFEESA-N 2 0 336.436 -0.240 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001483571496 1126436306 /nfs/dbraw/zinc/43/63/06/1126436306.db2.gz QSGSUZXZDUZNNZ-QWHCGFSZSA-N 2 0 339.440 -0.589 20 0 EBADRP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CC(=O)NC(=O)NC ZINC001483620479 1126440851 /nfs/dbraw/zinc/44/08/51/1126440851.db2.gz JRXHOEBHIITXLQ-OLZOCXBDSA-N 2 0 341.456 -0.390 20 0 EBADRP C[C@H]([NH2+]C[C@H](NC(=O)COC1CC[NH+](C)CC1)C1CC1)C(N)=O ZINC001483597043 1126438868 /nfs/dbraw/zinc/43/88/68/1126438868.db2.gz UJUCMRIKSGRTQZ-FZMZJTMJSA-N 2 0 326.441 -0.545 20 0 EBADRP CC[C@H](C(=O)NCC1([NH2+]C[C@H]2CCS(=O)(=O)C2)CC1)[NH+](C)C ZINC001483746198 1126468280 /nfs/dbraw/zinc/46/82/80/1126468280.db2.gz KJDOCWKIVGZKKI-CHWSQXEVSA-N 2 0 331.482 0.000 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1([NH2+][C@@H]2CCCNC2=O)CC1 ZINC001483791223 1126477496 /nfs/dbraw/zinc/47/74/96/1126477496.db2.gz SJFMFRLCHQPPAR-UONOGXRCSA-N 2 0 338.452 -0.528 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCNS(C)(=O)=O)[NH+](C)C ZINC001483944935 1126491910 /nfs/dbraw/zinc/49/19/10/1126491910.db2.gz JNHCONZIDJAVCK-STQMWFEESA-N 2 0 334.486 -0.544 20 0 EBADRP CC1(NC(=O)C[NH+]2CCCC2)CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001483975747 1126494586 /nfs/dbraw/zinc/49/45/86/1126494586.db2.gz PALDHJVZIUVTKI-CYBMUJFWSA-N 2 0 336.436 -0.142 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCN([C@@H]2CC[NH+]([C@@H](C)C(N)=O)C2)CC1 ZINC001484024747 1126498883 /nfs/dbraw/zinc/49/88/83/1126498883.db2.gz CAWZCSUQNIHKGJ-LSDHHAIUSA-N 2 0 339.484 -0.581 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCN([C@@H]2CC[NH+]([C@H](C)C(N)=O)C2)CC1 ZINC001484024746 1126499027 /nfs/dbraw/zinc/49/90/27/1126499027.db2.gz CAWZCSUQNIHKGJ-HUUCEWRRSA-N 2 0 339.484 -0.581 20 0 EBADRP C[C@]1(C[NH2+]CC(=O)NC(N)=O)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001484121618 1126507765 /nfs/dbraw/zinc/50/77/65/1126507765.db2.gz GAZGBFJJHODZHC-OAHLLOKOSA-N 2 0 337.424 -0.895 20 0 EBADRP O=C(NC[C@]1(O)CC[N@H+](CCn2cccn2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001484216392 1126524022 /nfs/dbraw/zinc/52/40/22/1126524022.db2.gz LUBUKYYGSBEQIS-FUHWJXTLSA-N 2 0 347.463 -0.222 20 0 EBADRP CCn1cc(CC[N@@H+]2CC[C@](O)(CNC(=O)[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001484252281 1126544957 /nfs/dbraw/zinc/54/49/57/1126544957.db2.gz UIPJZZBVEHBNQM-AEFFLSMTSA-N 2 0 349.479 -0.050 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001484404513 1126569613 /nfs/dbraw/zinc/56/96/13/1126569613.db2.gz JNMCZMBGEHJONM-NDBYEHHHSA-N 2 0 337.424 -0.946 20 0 EBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001484378301 1126566322 /nfs/dbraw/zinc/56/63/22/1126566322.db2.gz WQFRUWHDOIMTNW-KBPBESRZSA-N 2 0 338.452 -0.229 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CCNS(C)(=O)=O)C[C@@H]2C1 ZINC001484413730 1126571504 /nfs/dbraw/zinc/57/15/04/1126571504.db2.gz UCUDQCZYACCNJZ-OKILXGFUSA-N 2 0 346.497 -0.732 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001484414846 1126571923 /nfs/dbraw/zinc/57/19/23/1126571923.db2.gz DNJRDRHCLDCJIV-HZSPNIEDSA-N 2 0 336.436 -0.478 20 0 EBADRP C[C@@H]([NH2+]CCN(CCO)C(=O)C1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001484493310 1126592550 /nfs/dbraw/zinc/59/25/50/1126592550.db2.gz XHJMIMNBIUHCQZ-CYBMUJFWSA-N 2 0 340.468 -0.594 20 0 EBADRP CN1CC[C@H]([NH2+]CCN(CCO)C(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001484490254 1126593583 /nfs/dbraw/zinc/59/35/83/1126593583.db2.gz VSOFHHBHENUHRV-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP Cn1ccc(C[NH2+]CCN(CCO)C(=O)[C@H]2CC[N@H+](C)C2)cc1=O ZINC001484500767 1126599169 /nfs/dbraw/zinc/59/91/69/1126599169.db2.gz SWEIWKBPOTZTGT-HNNXBMFYSA-N 2 0 336.436 -0.753 20 0 EBADRP O=C(N(CCO)CC[NH2+]CCn1cncn1)C12CCC[NH+]1CCC2 ZINC001484485922 1126595691 /nfs/dbraw/zinc/59/56/91/1126595691.db2.gz BLJZIEBRRZGTHT-UHFFFAOYSA-N 2 0 336.440 -0.683 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)C[NH+]1CCC(C)CC1 ZINC001484497611 1126598097 /nfs/dbraw/zinc/59/80/97/1126598097.db2.gz RDKONRQMUABOPD-CQSZACIVSA-N 2 0 328.457 -0.737 20 0 EBADRP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001484618519 1126611937 /nfs/dbraw/zinc/61/19/37/1126611937.db2.gz TUZUWAOZPXESJQ-CYBMUJFWSA-N 2 0 339.440 -0.539 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H](C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001484692933 1126620011 /nfs/dbraw/zinc/62/00/11/1126620011.db2.gz QEYLIXIKKYRPCJ-KGLIPLIRSA-N 2 0 326.441 -0.767 20 0 EBADRP CC(C)[C@H](C(=O)N1CCO[C@@H](C[NH2+]CC(=O)NC2CC2)C1)[NH+](C)C ZINC001484687151 1126621687 /nfs/dbraw/zinc/62/16/87/1126621687.db2.gz FQAYHAMJUWVEHK-GOEBONIOSA-N 2 0 340.468 -0.332 20 0 EBADRP C[C@@H]([NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1)C(=O)N(C)C ZINC001484700157 1126622756 /nfs/dbraw/zinc/62/27/56/1126622756.db2.gz XHHSBSHONQJZFH-KGLIPLIRSA-N 2 0 326.441 -0.624 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001484701038 1126623017 /nfs/dbraw/zinc/62/30/17/1126623017.db2.gz XTCDAAXKIOBQRR-AWEZNQCLSA-N 2 0 326.441 -0.578 20 0 EBADRP CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]CCS(C)(=O)=O)C1)[NH+](C)C ZINC001484695491 1126624570 /nfs/dbraw/zinc/62/45/70/1126624570.db2.gz DVMWSXHXCRFXDR-STQMWFEESA-N 2 0 335.470 -0.812 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001484696177 1126624682 /nfs/dbraw/zinc/62/46/82/1126624682.db2.gz LHMGBWUVYCSSGA-CYBMUJFWSA-N 2 0 335.470 -0.810 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC001484728120 1126627038 /nfs/dbraw/zinc/62/70/38/1126627038.db2.gz YAMUQRDFQPHBPO-QWHCGFSZSA-N 2 0 341.456 -0.118 20 0 EBADRP CN(CCC[N@H+](C)CC(=O)NC(N)=O)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001484745656 1126628828 /nfs/dbraw/zinc/62/88/28/1126628828.db2.gz OCFVKJUBOVIGTA-ZDUSSCGKSA-N 2 0 341.456 -0.164 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@@](CO)([NH2+]Cc2cnnn2C)C1 ZINC001484856876 1126645420 /nfs/dbraw/zinc/64/54/20/1126645420.db2.gz VQDOEVNBJPMSPD-MRXNPFEDSA-N 2 0 338.456 -0.400 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+][C@H]2CCCNC2=O)CCOCC1 ZINC001484873059 1126648112 /nfs/dbraw/zinc/64/81/12/1126648112.db2.gz TVTAHVSKEHJCQJ-AWEZNQCLSA-N 2 0 340.468 -0.140 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001484908836 1126652584 /nfs/dbraw/zinc/65/25/84/1126652584.db2.gz BLNYRHNDOAYOHT-CABCVRRESA-N 2 0 340.468 -0.378 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001484908246 1126652596 /nfs/dbraw/zinc/65/25/96/1126652596.db2.gz YRJBJNFIFHSCHA-OLZOCXBDSA-N 2 0 339.440 -0.636 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(O)(C[NH2+]C[C@@H]3CCOC3)CC2)C1 ZINC001484964335 1126657096 /nfs/dbraw/zinc/65/70/96/1126657096.db2.gz IDIYNZVLUJVULC-GJZGRUSLSA-N 2 0 325.453 -0.082 20 0 EBADRP C[C@H]([NH2+]CC1(O)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1)C(N)=O ZINC001484959218 1126659134 /nfs/dbraw/zinc/65/91/34/1126659134.db2.gz LGSZTKYBJSXPFF-LBPRGKRZSA-N 2 0 326.441 -0.855 20 0 EBADRP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCN1C(=O)CNC1=O ZINC001484989797 1126662096 /nfs/dbraw/zinc/66/20/96/1126662096.db2.gz QCWOVUKYXZWAMI-RYUDHWBXSA-N 2 0 325.413 -0.883 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCOC2(CC[NH+]([C@H](C)C(N)=O)CC2)C1 ZINC001485008423 1126663164 /nfs/dbraw/zinc/66/31/64/1126663164.db2.gz YPYMKDCDBIIQMX-CQSZACIVSA-N 2 0 340.468 -0.105 20 0 EBADRP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001485205317 1126681400 /nfs/dbraw/zinc/68/14/00/1126681400.db2.gz NOSMKKCOOGOOFM-VXGBXAGGSA-N 2 0 327.429 -0.604 20 0 EBADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[N@H+](C)CCN1C(=O)CCC1=O ZINC001485343548 1126691440 /nfs/dbraw/zinc/69/14/40/1126691440.db2.gz GNLGGULJUXLOCK-ZDUSSCGKSA-N 2 0 338.452 -0.086 20 0 EBADRP C[NH+](C)CCC(=O)NC1(CCO)C[NH+](C[C@H]2CCNC(=O)CC2)C1 ZINC001485415353 1126707025 /nfs/dbraw/zinc/70/70/25/1126707025.db2.gz PJZRAXFSHGJGFU-CQSZACIVSA-N 2 0 340.468 -0.593 20 0 EBADRP Cc1c(C(=O)N2CCO[C@H]([C@H](C)[NH2+]CC(N)=O)C2)ccc2c[nH+]cn21 ZINC001485641054 1126783725 /nfs/dbraw/zinc/78/37/25/1126783725.db2.gz NYOMHOBBZDHPPV-NHYWBVRUSA-N 2 0 345.403 -0.053 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CC(=O)N(C)C)C1 ZINC001485647259 1126789699 /nfs/dbraw/zinc/78/96/99/1126789699.db2.gz AEMGMUAFYYIVNX-KGLIPLIRSA-N 2 0 328.457 -0.378 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1)[NH+](C)C ZINC001485686990 1126798826 /nfs/dbraw/zinc/79/88/26/1126798826.db2.gz ODENXPAEDHECHQ-OBJOEFQTSA-N 2 0 338.456 -0.321 20 0 EBADRP C[C@@H](CCC[NH2+]CC(=O)NC(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001485730805 1126817461 /nfs/dbraw/zinc/81/74/61/1126817461.db2.gz NMUYQZKZHMDVQG-LBPRGKRZSA-N 2 0 339.440 -0.316 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCCOCC[NH+](C)[C@@H]2CCCNC2=O)C1 ZINC001485775636 1126835845 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SVHFEQJUXPKVEZ-CWRNSKLLSA-N 2 0 337.468 -0.240 20 0 EBADRP CN(C[C@@H](O)C[NH2+][C@@H]1CCCNC1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001486281810 1127078376 /nfs/dbraw/zinc/07/83/76/1127078376.db2.gz VHKGNTIDJONZIQ-QWHCGFSZSA-N 2 0 326.441 -0.842 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001486284353 1127081427 /nfs/dbraw/zinc/08/14/27/1127081427.db2.gz HGWPTOYVUNEZQI-ZIAGYGMSSA-N 2 0 340.468 -0.594 20 0 EBADRP CN(C[C@@H](O)C[NH2+]Cc1ccn(C)c(=O)c1)C(=O)C[NH+]1CCCC1 ZINC001486317728 1127119762 /nfs/dbraw/zinc/11/97/62/1127119762.db2.gz QEPAICXBNXPVSV-HNNXBMFYSA-N 2 0 336.436 -0.610 20 0 EBADRP CN(C[C@H](O)C[NH2+]CC(=O)N(C)C1CC1)C(=O)C[NH+]1CCCC1 ZINC001486317281 1127119810 /nfs/dbraw/zinc/11/98/10/1127119810.db2.gz MRFSQOKMXNLMCT-CQSZACIVSA-N 2 0 326.441 -0.888 20 0 EBADRP C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)C[N@H+](C)CC(C)(C)C)C(=O)N(C)C ZINC001486310884 1127123779 /nfs/dbraw/zinc/12/37/79/1127123779.db2.gz NKYXTPNYDKXUFM-KBPBESRZSA-N 2 0 344.500 -0.150 20 0 EBADRP CC[N@H+](C)CCC(=O)N(C)C[C@H](O)C[NH+](C)[C@H]1CCCN(C)C1=O ZINC001486353520 1127147931 /nfs/dbraw/zinc/14/79/31/1127147931.db2.gz YTUBPPQKGJMICQ-CABCVRRESA-N 2 0 342.484 -0.300 20 0 EBADRP CN(C[C@H](O)C[N@H+](C)CCn1cccn1)C(=O)C1CC[NH+](C)CC1 ZINC001486346363 1127157732 /nfs/dbraw/zinc/15/77/32/1127157732.db2.gz DAAVZSJVJAOBHK-MRXNPFEDSA-N 2 0 337.468 -0.024 20 0 EBADRP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001486475363 1127182563 /nfs/dbraw/zinc/18/25/63/1127182563.db2.gz KQHQUQUMNZZBNR-HSBZDZAISA-N 2 0 331.482 -0.048 20 0 EBADRP CN(C(=O)CCC[NH+](C)C)C1CC([NH2+]CC(=O)N2CCOCC2)C1 ZINC001486475546 1127182732 /nfs/dbraw/zinc/18/27/32/1127182732.db2.gz RDHILUOSEKZELS-UHFFFAOYSA-N 2 0 340.468 -0.234 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CCOCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001486494808 1127188194 /nfs/dbraw/zinc/18/81/94/1127188194.db2.gz YNYUIEDAGLOLMR-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC2(CCO)CN(C(=O)Cc3cnc[nH]3)C2)C1 ZINC001487051752 1127398456 /nfs/dbraw/zinc/39/84/56/1127398456.db2.gz RMCMWQKFFLZUHC-CYBMUJFWSA-N 2 0 349.435 -0.626 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001410125230 1127590398 /nfs/dbraw/zinc/59/03/98/1127590398.db2.gz IMMVMUUTZIDWOE-QWHCGFSZSA-N 2 0 326.441 -0.984 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001410126747 1127591365 /nfs/dbraw/zinc/59/13/65/1127591365.db2.gz LYCLVSWFYXSPJT-OAHLLOKOSA-N 2 0 342.484 -0.348 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001410127153 1127591767 /nfs/dbraw/zinc/59/17/67/1127591767.db2.gz JFNPUPUKDFMAIT-LSDHHAIUSA-N 2 0 340.468 -0.593 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001410127143 1127591799 /nfs/dbraw/zinc/59/17/99/1127591799.db2.gz JFNPUPUKDFMAIT-HUUCEWRRSA-N 2 0 340.468 -0.593 20 0 EBADRP C[C@@H]([NH2+]CC(N)=O)[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001410127377 1127591994 /nfs/dbraw/zinc/59/19/94/1127591994.db2.gz COPLUEYQHTUSJE-KGLIPLIRSA-N 2 0 326.441 -0.447 20 0 EBADRP C[C@H]([NH2+]CC(=O)N1CCCC1)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001410155496 1127616992 /nfs/dbraw/zinc/61/69/92/1127616992.db2.gz IDSJLMVQBFPHBX-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H](C[NH2+]CC(=O)N2CCOCC2)C1 ZINC001410226957 1127649930 /nfs/dbraw/zinc/64/99/30/1127649930.db2.gz XMLSUPQSHQSUGS-SHTZXODSSA-N 2 0 338.452 -0.575 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001410234848 1127652688 /nfs/dbraw/zinc/65/26/88/1127652688.db2.gz HQLHHNIIWPTRCH-JHJVBQTASA-N 2 0 339.440 -0.460 20 0 EBADRP Cc1nc(C)n(CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CN(C)CCO2)n1 ZINC001410362203 1127688049 /nfs/dbraw/zinc/68/80/49/1127688049.db2.gz XGKMTYGORNUVCS-WFASDCNBSA-N 2 0 338.456 -0.338 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001410372215 1127691985 /nfs/dbraw/zinc/69/19/85/1127691985.db2.gz FTVOLSINFBTSHC-SDDRHHMPSA-N 2 0 327.429 -0.652 20 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ONVVAPLCMJKLRQ-LBPRGKRZSA-N 2 0 341.456 -0.356 20 0 EBADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)C1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001411248608 1128104172 /nfs/dbraw/zinc/10/41/72/1128104172.db2.gz YEBCPOOBROUOJD-UHFFFAOYSA-N 2 0 339.440 -0.365 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCO[C@@H](C[NH2+]CCS(C)(=O)=O)C2)CC1 ZINC001280627304 1128110610 /nfs/dbraw/zinc/11/06/10/1128110610.db2.gz DKWPZYJDGCLVNU-AWEZNQCLSA-N 2 0 347.481 -0.810 20 0 EBADRP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2 ZINC001092203069 1128214672 /nfs/dbraw/zinc/21/46/72/1128214672.db2.gz BLFVSYBMHMRHEK-KEYYUXOJSA-N 2 0 332.448 -0.249 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CC(=O)N4CCC4)C[C@@]3(C)C2)C1 ZINC001092272435 1128219710 /nfs/dbraw/zinc/21/97/10/1128219710.db2.gz DXCBGPVUEZBJLI-DAYGRLMNSA-N 2 0 334.464 -0.049 20 0 EBADRP CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)nn1 ZINC001093322043 1128329305 /nfs/dbraw/zinc/32/93/05/1128329305.db2.gz HJILSNKPBMZQRK-ZFWWWQNUSA-N 2 0 334.424 -0.366 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001488000619 1128537284 /nfs/dbraw/zinc/53/72/84/1128537284.db2.gz WOPSHGZQGZBKMH-ZIAGYGMSSA-N 2 0 340.468 -0.737 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001488078792 1128613566 /nfs/dbraw/zinc/61/35/66/1128613566.db2.gz VPPMJJDMRMBVDQ-KBPBESRZSA-N 2 0 340.468 -0.594 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H](CO)NC(=O)C1CC[NH+](C)CC1 ZINC001488097049 1128597993 /nfs/dbraw/zinc/59/79/93/1128597993.db2.gz KGACULXSKNZVPI-AWEZNQCLSA-N 2 0 328.457 -0.737 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CCC1 ZINC001691709076 1128667232 /nfs/dbraw/zinc/66/72/32/1128667232.db2.gz OMVSKCBRKKCLTP-BETUJISGSA-N 2 0 346.497 -0.496 20 0 EBADRP CN(C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2)C(=O)CC[NH+](C)C ZINC001488436480 1128773081 /nfs/dbraw/zinc/77/30/81/1128773081.db2.gz PYSVDRCLEAPVHM-AWEZNQCLSA-N 2 0 340.468 -0.688 20 0 EBADRP CS(=O)(=O)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001488736079 1128833360 /nfs/dbraw/zinc/83/33/60/1128833360.db2.gz MZFYHRHLPFZAHZ-CFVMTHIKSA-N 2 0 343.493 -0.143 20 0 EBADRP C[C@@H]([NH2+][C@@H]1C[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1)C(=O)NC(N)=O ZINC001488774615 1128841736 /nfs/dbraw/zinc/84/17/36/1128841736.db2.gz XAOVLQDTDXECEL-QNWHQSFQSA-N 2 0 339.440 -0.604 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001488848686 1128858395 /nfs/dbraw/zinc/85/83/95/1128858395.db2.gz GLSWLRFEOOVVFA-HAQNSBGRSA-N 2 0 327.429 -0.732 20 0 EBADRP CC1CC[NH+](CC(=O)N2CCC[C@H]([NH+](CCO)CCO)C2)CC1 ZINC001489168839 1128915935 /nfs/dbraw/zinc/91/59/35/1128915935.db2.gz LURQFCSXLISMFZ-INIZCTEOSA-N 2 0 327.469 -0.004 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001490197182 1129146534 /nfs/dbraw/zinc/14/65/34/1129146534.db2.gz UKTFJMMXSQOVBR-YPMHNXCESA-N 2 0 339.440 -0.650 20 0 EBADRP C[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)CCNS(C)(=O)=O ZINC001490245443 1129152009 /nfs/dbraw/zinc/15/20/09/1129152009.db2.gz WITKXLBTIUNJIS-UHFFFAOYSA-N 2 0 334.486 -0.685 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]([NH2+]CCCS(C)(=O)=O)C2CC2)C1 ZINC001490739027 1129251157 /nfs/dbraw/zinc/25/11/57/1129251157.db2.gz CZWJDRUUIXZFCM-KGLIPLIRSA-N 2 0 331.482 -0.143 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1(CCO)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001411744066 1129363131 /nfs/dbraw/zinc/36/31/31/1129363131.db2.gz SKEJGADSXRKRFP-CQSZACIVSA-N 2 0 338.452 -0.744 20 0 EBADRP C[N@H+](CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCC[NH+]1C)C1CCC1 ZINC001412811790 1129668267 /nfs/dbraw/zinc/66/82/67/1129668267.db2.gz XTLJIMIYBXGXHM-JSGCOSHPSA-N 2 0 326.441 -0.842 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001490852602 1129685274 /nfs/dbraw/zinc/68/52/74/1129685274.db2.gz MAOZYXFOBQSHHU-AWEZNQCLSA-N 2 0 325.457 -0.066 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001412879069 1129750321 /nfs/dbraw/zinc/75/03/21/1129750321.db2.gz LYVAZTQRKKIKAX-KBPBESRZSA-N 2 0 340.468 -0.452 20 0 EBADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)CC1 ZINC001413012897 1129859177 /nfs/dbraw/zinc/85/91/77/1129859177.db2.gz PVPWFWVBFKHFOF-AWEZNQCLSA-N 2 0 341.500 -0.415 20 0 EBADRP CN(C[C@@H](O)CNC(=O)C1(C[NH+](C)C)CC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001413264069 1129972936 /nfs/dbraw/zinc/97/29/36/1129972936.db2.gz JQCAEKROVGOTQM-KBPBESRZSA-N 2 0 340.468 -0.785 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)C[C@H](O)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001413286564 1129992451 /nfs/dbraw/zinc/99/24/51/1129992451.db2.gz HDUCPIXIQAAPCE-CABCVRRESA-N 2 0 342.484 -0.252 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)CNC(=O)CC[NH+](C)C)C1 ZINC001413337842 1130026208 /nfs/dbraw/zinc/02/62/08/1130026208.db2.gz QMIOQEAUNUGWOA-KGLIPLIRSA-N 2 0 328.457 -0.785 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001490897670 1130229245 /nfs/dbraw/zinc/22/92/45/1130229245.db2.gz NINBDFPAPJAMBH-HAQNSBGRSA-N 2 0 339.440 -0.447 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C2)CC[N@@H+]1C ZINC001491018814 1130290571 /nfs/dbraw/zinc/29/05/71/1130290571.db2.gz RBKSFCPNDFDRNC-YIYPIFLZSA-N 2 0 346.497 -0.545 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC(=O)NC)C2)CC[N@@H+]1C ZINC001491018582 1130290848 /nfs/dbraw/zinc/29/08/48/1130290848.db2.gz NVNJQGXOMHALTO-QNWHQSFQSA-N 2 0 339.440 -0.591 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001491073807 1130315194 /nfs/dbraw/zinc/31/51/94/1130315194.db2.gz UIGNGUMRRVKASA-OKILXGFUSA-N 2 0 326.441 -0.576 20 0 EBADRP CC[C@@H](C(=O)NC[C@H]1CCCCN1CCNS(C)(=O)=O)[NH+](C)C ZINC001491221135 1130364009 /nfs/dbraw/zinc/36/40/09/1130364009.db2.gz KJJJIIMYTRLODF-KGLIPLIRSA-N 2 0 348.513 -0.154 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NCCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001491318420 1130397867 /nfs/dbraw/zinc/39/78/67/1130397867.db2.gz NCJVZCRCZAFJTF-CYBMUJFWSA-N 2 0 336.440 -0.758 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001491318771 1130398013 /nfs/dbraw/zinc/39/80/13/1130398013.db2.gz ATKXQUANXLYBKG-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001491420834 1130435430 /nfs/dbraw/zinc/43/54/30/1130435430.db2.gz GVUIXPCNSJXGMA-OAHLLOKOSA-N 2 0 340.468 -0.330 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](OC)C1 ZINC001213127276 1130520209 /nfs/dbraw/zinc/52/02/09/1130520209.db2.gz RLGGFDGKDHJHNO-ARFHVFGLSA-N 2 0 348.403 -0.229 20 0 EBADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001491564089 1130534045 /nfs/dbraw/zinc/53/40/45/1130534045.db2.gz JGFJZERFVGBWPL-QWHCGFSZSA-N 2 0 331.482 -0.143 20 0 EBADRP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C[C@@H](O)COC1CCOCC1 ZINC001492215249 1130601192 /nfs/dbraw/zinc/60/11/92/1130601192.db2.gz OHCMRNQNCRJCIN-ZBFHGGJFSA-N 2 0 343.468 -0.315 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001480122802 1130759534 /nfs/dbraw/zinc/75/95/34/1130759534.db2.gz VQISVBGITFSRIM-GJZGRUSLSA-N 2 0 326.441 -0.719 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001413969751 1130870855 /nfs/dbraw/zinc/87/08/55/1130870855.db2.gz GDIRMCGVWAWXPX-HUUCEWRRSA-N 2 0 342.484 -0.254 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001356781233 1130937964 /nfs/dbraw/zinc/93/79/64/1130937964.db2.gz CAFPXXVGVFFMJW-UHFFFAOYSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001357502709 1131097010 /nfs/dbraw/zinc/09/70/10/1131097010.db2.gz FBVUIIAKWZKNLU-HNNXBMFYSA-N 2 0 339.484 -0.720 20 0 EBADRP CC(C)C[N@H+](C)CCCNC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001357799997 1131129365 /nfs/dbraw/zinc/12/93/65/1131129365.db2.gz LDVVTYUFZWCUFK-ZFWWWQNUSA-N 2 0 331.482 -0.285 20 0 EBADRP C[NH+]1CCN(C2CC[NH+](C[C@H](O)C[C@]3(O)CCOC3)CC2)CC1 ZINC001364477611 1132332468 /nfs/dbraw/zinc/33/24/68/1132332468.db2.gz VIIIFTAPRGEXAD-IAGOWNOFSA-N 2 0 327.469 -0.399 20 0 EBADRP Cn1ccn2c(CC[NH2+]C3CC[NH+](CC(C)(C)O)CC3)nnc2c1=O ZINC001365012374 1132519495 /nfs/dbraw/zinc/51/94/95/1132519495.db2.gz BOQKIPZRBPUVAF-UHFFFAOYSA-N 2 0 348.451 -0.205 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001365816135 1132816370 /nfs/dbraw/zinc/81/63/70/1132816370.db2.gz KPNRELPNMUAKNO-BETUJISGSA-N 2 0 326.441 -0.686 20 0 EBADRP C[N@H+](CC(=O)NC[C@H]1C[C@H]([NH2+]CCS(C)(=O)=O)C1)C1CCC1 ZINC001365832887 1132822963 /nfs/dbraw/zinc/82/29/63/1132822963.db2.gz FHELJZVHSCRREB-JOCQHMNTSA-N 2 0 331.482 0.000 20 0 EBADRP C[C@H]([NH2+]CC(=O)NC(N)=O)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001365934500 1132895146 /nfs/dbraw/zinc/89/51/46/1132895146.db2.gz UNGMULOPJRVGQK-QWHCGFSZSA-N 2 0 339.440 -0.364 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NCCN2CC[NH+](CCCO)CC2)CC[N@@H+]1C ZINC001365961664 1132922901 /nfs/dbraw/zinc/92/29/01/1132922901.db2.gz IZFDOPJGKQHVJF-HOTGVXAUSA-N 2 0 326.485 -0.167 20 0 EBADRP C[NH+]1CCC(CC(=O)NC[C@@H]([NH2+]CC(=O)NC(N)=O)C2CC2)CC1 ZINC001366053511 1132983106 /nfs/dbraw/zinc/98/31/06/1132983106.db2.gz AKXWLOVBQXKCKH-CYBMUJFWSA-N 2 0 339.440 -0.602 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C2)CCO1 ZINC001366097838 1133003695 /nfs/dbraw/zinc/00/36/95/1133003695.db2.gz JVCKHPZXMZHJOX-KBPBESRZSA-N 2 0 326.441 -0.624 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001366107201 1133009052 /nfs/dbraw/zinc/00/90/52/1133009052.db2.gz BDJCBJARNKXCMR-BJDJZHNGSA-N 2 0 325.413 -0.839 20 0 EBADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1)[NH+](C)C ZINC001366124721 1133017221 /nfs/dbraw/zinc/01/72/21/1133017221.db2.gz MOSPHQQPCAVIKQ-BJDJZHNGSA-N 2 0 327.429 -0.593 20 0 EBADRP CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC(N)=O)[NH+](C)C ZINC001366133401 1133021197 /nfs/dbraw/zinc/02/11/97/1133021197.db2.gz IMSWWUZKZXTZLW-PSEXLTFBSA-N 2 0 339.440 -0.367 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001366144906 1133025191 /nfs/dbraw/zinc/02/51/91/1133025191.db2.gz CJXPTSBICZCOQH-FRRDWIJNSA-N 2 0 337.424 -0.979 20 0 EBADRP CN(CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001366170232 1133036946 /nfs/dbraw/zinc/03/69/46/1133036946.db2.gz NLDOPTMFUYZUHM-MELADBBJSA-N 2 0 346.497 -0.544 20 0 EBADRP C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)CC[NH+](C)C)C(=O)NC(N)=O ZINC001366221741 1133062814 /nfs/dbraw/zinc/06/28/14/1133062814.db2.gz ZKSUUWMPBYPFGT-VXGBXAGGSA-N 2 0 327.429 -0.508 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CC[C@H]([NH2+]CCS(C)(=O)=O)C2)CC1 ZINC001366393548 1133127382 /nfs/dbraw/zinc/12/73/82/1133127382.db2.gz SVHLVESDZYFCKA-ZDUSSCGKSA-N 2 0 347.481 -0.668 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001366460003 1133149045 /nfs/dbraw/zinc/14/90/45/1133149045.db2.gz KGMKLWMMIQPAHF-NEPJUHHUSA-N 2 0 327.429 -0.460 20 0 EBADRP C[C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCN(C)S(C)(=O)=O ZINC001366478009 1133153990 /nfs/dbraw/zinc/15/39/90/1133153990.db2.gz PZKWKVCTHIOEOI-KGLIPLIRSA-N 2 0 348.513 -0.154 20 0 EBADRP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366687779 1133250071 /nfs/dbraw/zinc/25/00/71/1133250071.db2.gz HAYBVMHKHMBOOQ-GFCCVEGCSA-N 2 0 339.440 -0.778 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001366703431 1133262776 /nfs/dbraw/zinc/26/27/76/1133262776.db2.gz RGSJTGNFNYCSNP-RYUDHWBXSA-N 2 0 325.413 -0.896 20 0 EBADRP CN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)COC1CC[NH+](C)CC1 ZINC001366769527 1133289980 /nfs/dbraw/zinc/28/99/80/1133289980.db2.gz PYUHLPPWDOUNAN-CQSZACIVSA-N 2 0 326.441 -0.576 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)CCN2CCOCC2)C1 ZINC001366844810 1133315791 /nfs/dbraw/zinc/31/57/91/1133315791.db2.gz CLPGOLNOOXARSP-CQSZACIVSA-N 2 0 326.441 -0.717 20 0 EBADRP CS(=O)(=O)CC[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001366856920 1133325299 /nfs/dbraw/zinc/32/52/99/1133325299.db2.gz ZCPYSALVKUKSER-AWEZNQCLSA-N 2 0 331.482 -0.045 20 0 EBADRP CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001367124530 1133481820 /nfs/dbraw/zinc/48/18/20/1133481820.db2.gz AVBPKMJXKYNUGX-ZDUSSCGKSA-N 2 0 338.456 -0.175 20 0 EBADRP C[N@H+](CC(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)NC(N)=O)CC1)C1CCC1 ZINC001367192741 1133498016 /nfs/dbraw/zinc/49/80/16/1133498016.db2.gz WWDQBBMVIBPGDR-HAQNSBGRSA-N 2 0 339.440 -0.317 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001367220114 1133505133 /nfs/dbraw/zinc/50/51/33/1133505133.db2.gz JYRLNVGIURKMJW-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001367287077 1133526789 /nfs/dbraw/zinc/52/67/89/1133526789.db2.gz PIXXOAGKNLWUQI-ZIAGYGMSSA-N 2 0 338.456 -0.375 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001367293247 1133528547 /nfs/dbraw/zinc/52/85/47/1133528547.db2.gz PMXCDWDZBJDLGN-QWHCGFSZSA-N 2 0 328.457 -0.426 20 0 EBADRP C[C@H](C[NH2+]CC(=O)N1CCO[C@H](C)C1)N(C)C(=O)C[NH+]1CCCC1 ZINC001367405239 1133580366 /nfs/dbraw/zinc/58/03/66/1133580366.db2.gz NTILYTGEMCCTLI-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)N1CCOCC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001367408959 1133582003 /nfs/dbraw/zinc/58/20/03/1133582003.db2.gz VVVIRYBEYIZOET-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP C[C@H](C[NH2+][C@H](C)C(=O)NC(N)=O)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001367419302 1133585349 /nfs/dbraw/zinc/58/53/49/1133585349.db2.gz ZPHSDXDZNHICEC-CHWSQXEVSA-N 2 0 341.456 -0.118 20 0 EBADRP Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1=O ZINC001367581973 1133650553 /nfs/dbraw/zinc/65/05/53/1133650553.db2.gz NBWNNKIQXBCGNO-HZPDHXFCSA-N 2 0 348.447 -0.706 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001367585235 1133655062 /nfs/dbraw/zinc/65/50/62/1133655062.db2.gz TWZNMCVYBOSAIL-ZDUSSCGKSA-N 2 0 328.457 -0.546 20 0 EBADRP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)nn1C ZINC001367589824 1133661119 /nfs/dbraw/zinc/66/11/19/1133661119.db2.gz MSFSNSCZHJGURW-JKSUJKDBSA-N 2 0 335.452 -0.363 20 0 EBADRP COc1nscc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001367601461 1133678508 /nfs/dbraw/zinc/67/85/08/1133678508.db2.gz GOVGYWJMCRGBRJ-VXGBXAGGSA-N 2 0 328.438 -0.187 20 0 EBADRP O=C(C[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2)N1CCCCC1 ZINC001367621386 1133706216 /nfs/dbraw/zinc/70/62/16/1133706216.db2.gz KPGDCBYNHHJDAP-AWEZNQCLSA-N 2 0 338.452 -0.839 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001367677179 1133742424 /nfs/dbraw/zinc/74/24/24/1133742424.db2.gz SMWBRVAHFGWJDM-VXGBXAGGSA-N 2 0 341.456 -0.201 20 0 EBADRP C[C@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367712100 1133756272 /nfs/dbraw/zinc/75/62/72/1133756272.db2.gz KEHYPXPXEQURSR-MCIONIFRSA-N 2 0 326.441 -0.984 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001367737685 1133765689 /nfs/dbraw/zinc/76/56/89/1133765689.db2.gz BAETVNCAPZBQQB-LBPRGKRZSA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@@H](C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001367748948 1133770718 /nfs/dbraw/zinc/77/07/18/1133770718.db2.gz HKMLULOCOMEVBY-MELADBBJSA-N 2 0 346.497 -0.544 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)COC1CC[NH+](C)CC1 ZINC001367763698 1133776308 /nfs/dbraw/zinc/77/63/08/1133776308.db2.gz MZDDCWMHQPRNLU-ZDUSSCGKSA-N 2 0 340.468 -0.188 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001367902406 1133833143 /nfs/dbraw/zinc/83/31/43/1133833143.db2.gz YXAQIVWDUMVVIY-RYUDHWBXSA-N 2 0 325.413 -0.979 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(=O)NC[C@@H]2CCOC2)CC1 ZINC001367991423 1133883237 /nfs/dbraw/zinc/88/32/37/1133883237.db2.gz MWFBVLUOBLHKIM-UONOGXRCSA-N 2 0 338.452 -0.528 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001368017795 1133898428 /nfs/dbraw/zinc/89/84/28/1133898428.db2.gz WPPXXELNKYAJOO-GJZGRUSLSA-N 2 0 335.452 -0.033 20 0 EBADRP COCC[N@H+](CC(N)=O)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001368052404 1133914146 /nfs/dbraw/zinc/91/41/46/1133914146.db2.gz PNOJJOCDESICFR-UHFFFAOYSA-N 2 0 340.468 -0.105 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCN2C(=O)CC[NH+](C)C)CCO1 ZINC001368111292 1133943695 /nfs/dbraw/zinc/94/36/95/1133943695.db2.gz VHERMXXPORXDQP-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001368128264 1133951879 /nfs/dbraw/zinc/95/18/79/1133951879.db2.gz ZKBBCYSEJOTCGR-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001368144837 1133957512 /nfs/dbraw/zinc/95/75/12/1133957512.db2.gz MFBLYOPVMBYLJD-CVEARBPZSA-N 2 0 344.475 -0.123 20 0 EBADRP Cn1nncc1C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC001368223086 1133996657 /nfs/dbraw/zinc/99/66/57/1133996657.db2.gz HQDXETDLVVUDEB-AWEZNQCLSA-N 2 0 336.440 -0.336 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(=O)NC2CC2)CCOCC1 ZINC001368231678 1133999765 /nfs/dbraw/zinc/99/97/65/1133999765.db2.gz IMQFSFQVTYHLCG-CQSZACIVSA-N 2 0 338.452 -0.386 20 0 EBADRP Cc1nn(C)cc1C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001368251974 1134032145 /nfs/dbraw/zinc/03/21/45/1134032145.db2.gz BXGSEMHPLJPLIM-WBVHZDCISA-N 2 0 335.452 -0.124 20 0 EBADRP Cn1cc(CC[N@@H+]2CC[C@@](O)(CNC(=O)C[NH+](C)C3CCC3)C2)cn1 ZINC001368253503 1134034801 /nfs/dbraw/zinc/03/48/01/1134034801.db2.gz SRIKSHCCOWELRB-GOSISDBHSA-N 2 0 349.479 0.000 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@]1(O)CC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC001368259027 1134048675 /nfs/dbraw/zinc/04/86/75/1134048675.db2.gz IYPJVEWJQIFUNA-CJNGLKHVSA-N 2 0 336.440 -0.730 20 0 EBADRP C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001368333620 1134153701 /nfs/dbraw/zinc/15/37/01/1134153701.db2.gz JXZJAAYKYGGUAO-VXGBXAGGSA-N 2 0 339.440 -0.650 20 0 EBADRP CC[C@@H](C(=O)NCCN1CCC([NH2+]CC(=O)NC)CC1)[NH+](C)C ZINC001368360003 1134164182 /nfs/dbraw/zinc/16/41/82/1134164182.db2.gz ARYHORIDBNAIKJ-AWEZNQCLSA-N 2 0 327.473 -0.757 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@H]2C1)[NH+](C)C ZINC001368362661 1134166120 /nfs/dbraw/zinc/16/61/20/1134166120.db2.gz GOVDKVNXSGZXGN-HZSPNIEDSA-N 2 0 346.497 -0.734 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C1CCN(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001368363861 1134167879 /nfs/dbraw/zinc/16/78/79/1134167879.db2.gz LEKICIHXCDXLHB-KBPBESRZSA-N 2 0 339.484 -0.757 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCC[C@](CO)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001368368579 1134172023 /nfs/dbraw/zinc/17/20/23/1134172023.db2.gz CBRYWIGURYYSPF-PBHICJAKSA-N 2 0 343.468 -0.721 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCC[C@@](CO)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001368368584 1134172109 /nfs/dbraw/zinc/17/21/09/1134172109.db2.gz CBRYWIGURYYSPF-RHSMWYFYSA-N 2 0 343.468 -0.721 20 0 EBADRP CN1CC[C@H]([NH2+]CCN(CCO)C(=O)C23CCC[NH+]2CCC3)C1=O ZINC001368395189 1134197948 /nfs/dbraw/zinc/19/79/48/1134197948.db2.gz IQKVCPGVJMWKEV-AWEZNQCLSA-N 2 0 338.452 -0.744 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001368478477 1134247062 /nfs/dbraw/zinc/24/70/62/1134247062.db2.gz AGRSGTZVBCEENS-LOWVWBTDSA-N 2 0 327.429 -0.748 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001368505980 1134258544 /nfs/dbraw/zinc/25/85/44/1134258544.db2.gz CPGSMJNBEHKMSI-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCO[C@@H](C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001368515841 1134267821 /nfs/dbraw/zinc/26/78/21/1134267821.db2.gz WAOGTNUFINOEGL-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP COC[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001368527818 1134276325 /nfs/dbraw/zinc/27/63/25/1134276325.db2.gz NYXKTKZWLJKCPY-IVSAIRAKSA-N 2 0 325.453 -0.036 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001368535900 1134280485 /nfs/dbraw/zinc/28/04/85/1134280485.db2.gz PSGZXSZQWHYAMT-XQQFMLRXSA-N 2 0 339.440 -0.460 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1)C(N)=O ZINC001368568991 1134295179 /nfs/dbraw/zinc/29/51/79/1134295179.db2.gz MILPSUVLXUXNOT-IHRRRGAJSA-N 2 0 340.468 -0.297 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001368572773 1134297778 /nfs/dbraw/zinc/29/77/78/1134297778.db2.gz FUYRWVBVTSZPJC-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@@](CO)([NH2+]C[C@H](O)COC)C1)[NH+](C)C ZINC001368625750 1134336713 /nfs/dbraw/zinc/33/67/13/1134336713.db2.gz ORKFMYMMQLPHDL-SQWLQELKSA-N 2 0 331.457 -0.723 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@](CO)([NH2+]CCn3cccn3)C2)C1 ZINC001368632971 1134346032 /nfs/dbraw/zinc/34/60/32/1134346032.db2.gz WRWKNKNSHHWXMF-DOTOQJQBSA-N 2 0 335.452 -0.222 20 0 EBADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001368657661 1134359830 /nfs/dbraw/zinc/35/98/30/1134359830.db2.gz KWCXADQKJHJHNL-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1nnc2n1CCOC2 ZINC001368730393 1134410849 /nfs/dbraw/zinc/41/08/49/1134410849.db2.gz RSGNAFDQIRLWSA-QWHCGFSZSA-N 2 0 336.440 -0.113 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001368751504 1134417916 /nfs/dbraw/zinc/41/79/16/1134417916.db2.gz BCGGQUGNLCFDFY-OLZOCXBDSA-N 2 0 341.456 -0.118 20 0 EBADRP Cn1cc(CC[NH+]2CCC(CO)(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC001368764398 1134427039 /nfs/dbraw/zinc/42/70/39/1134427039.db2.gz MLYSKOQLLKBYLH-INIZCTEOSA-N 2 0 349.479 0.000 20 0 EBADRP CC[C@H](C(=O)NC1(CO)CC[NH+](C[C@H](O)COC)CC1)[NH+](C)C ZINC001368771885 1134433625 /nfs/dbraw/zinc/43/36/25/1134433625.db2.gz LRDYUHMPXGJAMZ-UONOGXRCSA-N 2 0 331.457 -0.723 20 0 EBADRP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC(=O)NC(=O)NC)[NH+](C)C ZINC001368777671 1134435686 /nfs/dbraw/zinc/43/56/86/1134435686.db2.gz PGGJRPCXCOXXBL-QWHCGFSZSA-N 2 0 341.456 -0.247 20 0 EBADRP CC[N@H+](C)CCC(=O)NC1CC(C[NH2+]CC(=O)NC(=O)NC)C1 ZINC001368822240 1134455830 /nfs/dbraw/zinc/45/58/30/1134455830.db2.gz JCOAOYMKHWBGAZ-UHFFFAOYSA-N 2 0 327.429 -0.732 20 0 EBADRP CCCC[C@H](C[NH2+]CC(=O)NC(=O)NC)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001369060082 1134548157 /nfs/dbraw/zinc/54/81/57/1134548157.db2.gz RIEDYQFALDDSPE-CHWSQXEVSA-N 2 0 341.456 -0.199 20 0 EBADRP CN1CCC[C@@H]([N@H+]2C[C@@H]3[C@@H](CNC(=O)C[NH+]4CCCC4)[C@@H]3C2)C1=O ZINC001369153680 1134596228 /nfs/dbraw/zinc/59/62/28/1134596228.db2.gz NLTXJYHDKYEFPK-LVQVYYBASA-N 2 0 334.464 -0.003 20 0 EBADRP CC[C@H](C(=O)N(C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1CC1)[NH+](C)C ZINC001369229663 1134624655 /nfs/dbraw/zinc/62/46/55/1134624655.db2.gz PEZYWRRULQNRBI-VXGBXAGGSA-N 2 0 327.429 -0.652 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001369266091 1134635184 /nfs/dbraw/zinc/63/51/84/1134635184.db2.gz UKLZLOKNOBYMNX-UONOGXRCSA-N 2 0 342.484 -0.084 20 0 EBADRP C[C@H](CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CCS(C)(=O)=O ZINC001369353310 1134703774 /nfs/dbraw/zinc/70/37/74/1134703774.db2.gz DCIMIEIRSYLNIB-UONOGXRCSA-N 2 0 349.497 -0.564 20 0 EBADRP CN1CCC[C@H]([NH2+][C@H](CO)CNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001369360536 1134711825 /nfs/dbraw/zinc/71/18/25/1134711825.db2.gz HBXVEYFJZVQTJV-GJZGRUSLSA-N 2 0 340.468 -0.594 20 0 EBADRP CN1CCC[C@H]([NH2+][C@@H](CO)CNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001369360535 1134712181 /nfs/dbraw/zinc/71/21/81/1134712181.db2.gz HBXVEYFJZVQTJV-CABCVRRESA-N 2 0 340.468 -0.594 20 0 EBADRP O=C(CC[NH+]1CCCCC1)NC[C@@H](CO)[NH2+][C@@H]1CCCNC1=O ZINC001369373318 1134729324 /nfs/dbraw/zinc/72/93/24/1134729324.db2.gz KJULLWCOTBDLEM-UONOGXRCSA-N 2 0 326.441 -0.792 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC(C)(C)C)C1 ZINC001369387637 1134749277 /nfs/dbraw/zinc/74/92/77/1134749277.db2.gz VCFLECMXRXIIHO-QWHCGFSZSA-N 2 0 328.457 -0.833 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)[C@H]1C ZINC001369391372 1134752376 /nfs/dbraw/zinc/75/23/76/1134752376.db2.gz MUVZDELNJSRYNR-VXGBXAGGSA-N 2 0 327.429 -0.637 20 0 EBADRP CN(C[C@H](O)C[NH2+]Cc1ccn(C)c(=O)c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001369448780 1134786977 /nfs/dbraw/zinc/78/69/77/1134786977.db2.gz HKOLKMHVKUASSN-HUUCEWRRSA-N 2 0 336.436 -0.612 20 0 EBADRP CN(C[C@@H](O)C[NH2+]Cc1ccn(C)c(=O)c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001369448786 1134787405 /nfs/dbraw/zinc/78/74/05/1134787405.db2.gz HKOLKMHVKUASSN-LSDHHAIUSA-N 2 0 336.436 -0.612 20 0 EBADRP C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+]1CCCCC1)C(=O)N(C)C ZINC001369490458 1134864389 /nfs/dbraw/zinc/86/43/89/1134864389.db2.gz PLCWOLFHOUMVRH-HUUCEWRRSA-N 2 0 342.484 -0.252 20 0 EBADRP C[C@H](O)CCC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001369919372 1135093999 /nfs/dbraw/zinc/09/39/99/1135093999.db2.gz RZKPOZAUENVLOZ-JKSUJKDBSA-N 2 0 326.485 -0.025 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001370398734 1135333707 /nfs/dbraw/zinc/33/37/07/1135333707.db2.gz WXCBQBHUSNXDML-LBPRGKRZSA-N 2 0 341.456 -0.247 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001370401495 1135335212 /nfs/dbraw/zinc/33/52/12/1135335212.db2.gz CXJSDPKNJFABMU-STQMWFEESA-N 2 0 341.456 -0.247 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001370406474 1135337658 /nfs/dbraw/zinc/33/76/58/1135337658.db2.gz VCAOCYHYIKXUTR-RYUDHWBXSA-N 2 0 327.429 -0.637 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001370406471 1135338322 /nfs/dbraw/zinc/33/83/22/1135338322.db2.gz VCAOCYHYIKXUTR-NEPJUHHUSA-N 2 0 327.429 -0.637 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001370480116 1135367958 /nfs/dbraw/zinc/36/79/58/1135367958.db2.gz OJFUYEBDUXNRAP-SRVKXCTJSA-N 2 0 345.419 -0.641 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001370495841 1135376487 /nfs/dbraw/zinc/37/64/87/1135376487.db2.gz ZVBQJPNJGWDYCJ-FDYHWXHSSA-N 2 0 341.456 -0.202 20 0 EBADRP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCCNC3=O)C2)CC1 ZINC001370539978 1135399518 /nfs/dbraw/zinc/39/95/18/1135399518.db2.gz GIDIKOOPNAQDNY-UMVBOHGHSA-N 2 0 338.452 -0.387 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1)C(=O)NC(N)=O ZINC001370639156 1135442072 /nfs/dbraw/zinc/44/20/72/1135442072.db2.gz QHJNLIAVGSZYNB-NDBYEHHHSA-N 2 0 339.440 -0.319 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)C(=O)NC(N)=O ZINC001370674900 1135479624 /nfs/dbraw/zinc/47/96/24/1135479624.db2.gz OOLSFWVICZLDDA-YFKTTZPYSA-N 2 0 325.413 -0.709 20 0 EBADRP CC[C@H](C(=O)N[C@H](CO)CNC(=O)C[NH+]1CCC(C)CC1)[NH+](C)C ZINC001370778635 1135624726 /nfs/dbraw/zinc/62/47/26/1135624726.db2.gz QCEPRIVBUOYGHP-LSDHHAIUSA-N 2 0 342.484 -0.348 20 0 EBADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001371197786 1135862565 /nfs/dbraw/zinc/86/25/65/1135862565.db2.gz CCIZPARZSVEWHT-OLZOCXBDSA-N 2 0 331.482 0.000 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001371206291 1135864116 /nfs/dbraw/zinc/86/41/16/1135864116.db2.gz UUTBVRJAFQMMAW-LLVKDONJSA-N 2 0 327.429 -0.589 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001371316299 1135886572 /nfs/dbraw/zinc/88/65/72/1135886572.db2.gz XLQUENGPUHDNNB-CMPLNLGQSA-N 2 0 325.413 -0.837 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1O ZINC001371453269 1135915425 /nfs/dbraw/zinc/91/54/25/1135915425.db2.gz DIOYWZPKXWMEKG-RBSFLKMASA-N 2 0 340.468 -0.500 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001371472311 1135930146 /nfs/dbraw/zinc/93/01/46/1135930146.db2.gz HLTUABHUXGQIRN-QWHCGFSZSA-N 2 0 341.456 -0.199 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@H]1OC ZINC001371521450 1135947372 /nfs/dbraw/zinc/94/73/72/1135947372.db2.gz ONONBNBMVGPVBW-RBSFLKMASA-N 2 0 340.468 -0.236 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001371555661 1135969547 /nfs/dbraw/zinc/96/95/47/1135969547.db2.gz LQWNPGFENJGEEL-AWEZNQCLSA-N 2 0 326.441 -0.624 20 0 EBADRP C[N@H+](CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1)C1CCC1 ZINC001371567840 1135972113 /nfs/dbraw/zinc/97/21/13/1135972113.db2.gz OPULIWHBCXGVHH-LLVKDONJSA-N 2 0 325.413 -0.896 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001371581830 1135975263 /nfs/dbraw/zinc/97/52/63/1135975263.db2.gz MFEHBTOTPPPSOF-VXGBXAGGSA-N 2 0 327.429 -0.780 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001371649858 1135992615 /nfs/dbraw/zinc/99/26/15/1135992615.db2.gz WGZVCYVXSXJSMK-NEPJUHHUSA-N 2 0 339.440 -0.460 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1O ZINC001371844579 1136033927 /nfs/dbraw/zinc/03/39/27/1136033927.db2.gz DQAWGYQBWMEFJA-CABCVRRESA-N 2 0 342.484 -0.254 20 0 EBADRP C[C@H](CCNC(=O)C[NH+]1CCC(C)CC1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001371855992 1136039654 /nfs/dbraw/zinc/03/96/54/1136039654.db2.gz IBWATMZUSSXSKG-CYBMUJFWSA-N 2 0 338.456 -0.175 20 0 EBADRP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001371882868 1136047374 /nfs/dbraw/zinc/04/73/74/1136047374.db2.gz RYRYXSLFHIKIJO-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001371886131 1136047929 /nfs/dbraw/zinc/04/79/29/1136047929.db2.gz IFLQUKPBSFJRTF-QWHCGFSZSA-N 2 0 338.456 -0.033 20 0 EBADRP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C[C@H](O)COCC(F)(F)F ZINC001372220821 1136143573 /nfs/dbraw/zinc/14/35/73/1136143573.db2.gz PDALNONDMUYPPM-RYUDHWBXSA-N 2 0 341.374 -0.074 20 0 EBADRP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C[C@@H](O)COCC(F)(F)F ZINC001372221089 1136143614 /nfs/dbraw/zinc/14/36/14/1136143614.db2.gz PDALNONDMUYPPM-VXGBXAGGSA-N 2 0 341.374 -0.074 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001372941800 1136333161 /nfs/dbraw/zinc/33/31/61/1136333161.db2.gz CDRHXNXHIJDSSX-RYUDHWBXSA-N 2 0 327.429 -0.780 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001372942900 1136333333 /nfs/dbraw/zinc/33/33/33/1136333333.db2.gz TYKONCRLOFMDLA-OLZOCXBDSA-N 2 0 343.472 -0.145 20 0 EBADRP CN(CC[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O)C(=O)CC[NH+](C)C ZINC001372945005 1136333716 /nfs/dbraw/zinc/33/37/16/1136333716.db2.gz JNKLVDBMRYCWPE-CYBMUJFWSA-N 2 0 336.440 -0.475 20 0 EBADRP C[NH+](C)CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CC(=O)NC(N)=O ZINC001373062798 1136364446 /nfs/dbraw/zinc/36/44/46/1136364446.db2.gz NJMCYKBNXRLRQL-TXEJJXNPSA-N 2 0 325.413 -0.802 20 0 EBADRP CN(CCN1CC[NH+](CCCO)CC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001373259724 1136411329 /nfs/dbraw/zinc/41/13/29/1136411329.db2.gz QJVBQCBQRODHPK-INIZCTEOSA-N 2 0 326.485 -0.071 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001373385298 1136441511 /nfs/dbraw/zinc/44/15/11/1136441511.db2.gz ZWBIYDGAKVEIKP-XHSDSOJGSA-N 2 0 343.468 -0.457 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001373390917 1136443033 /nfs/dbraw/zinc/44/30/33/1136443033.db2.gz AVPUNAKPRROBIH-GRYCIOLGSA-N 2 0 325.413 -0.898 20 0 EBADRP COC[C@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001373684741 1136536121 /nfs/dbraw/zinc/53/61/21/1136536121.db2.gz GUGZJWYIBBAIAN-HUUCEWRRSA-N 2 0 343.468 -0.363 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001373920101 1136586571 /nfs/dbraw/zinc/58/65/71/1136586571.db2.gz WJVBZSRVPQJVGU-JHJVBQTASA-N 2 0 339.440 -0.447 20 0 EBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001374108906 1136624124 /nfs/dbraw/zinc/62/41/24/1136624124.db2.gz MPAFWYOHUXHLGD-KGLIPLIRSA-N 2 0 331.482 -0.141 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001374250626 1136658249 /nfs/dbraw/zinc/65/82/49/1136658249.db2.gz RFZNYROBLNZQPD-OLZOCXBDSA-N 2 0 341.456 -0.262 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(N)=O)C1 ZINC001374277718 1136664406 /nfs/dbraw/zinc/66/44/06/1136664406.db2.gz PZDPSHKBFWNAJC-CHWSQXEVSA-N 2 0 341.456 -0.260 20 0 EBADRP CC(C)C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001374352901 1136677786 /nfs/dbraw/zinc/67/77/86/1136677786.db2.gz RDJGDCXBCAZDTE-CHWSQXEVSA-N 2 0 341.456 -0.214 20 0 EBADRP CC(C)C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001374352912 1136677793 /nfs/dbraw/zinc/67/77/93/1136677793.db2.gz RDJGDCXBCAZDTE-QWHCGFSZSA-N 2 0 341.456 -0.214 20 0 EBADRP CC(C)[C@@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)[NH2+]CC(N)=O ZINC001374459391 1136693194 /nfs/dbraw/zinc/69/31/94/1136693194.db2.gz OVPCUUPCPVRSAB-CYBMUJFWSA-N 2 0 328.457 -0.440 20 0 EBADRP CNC(=O)c1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001374589895 1136732284 /nfs/dbraw/zinc/73/22/84/1136732284.db2.gz JJHGXTDCKCECJV-CVEARBPZSA-N 2 0 348.447 -0.293 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCCC2)CC[N@@H+]1C ZINC001374603625 1136740144 /nfs/dbraw/zinc/74/01/44/1136740144.db2.gz IUGVZWKOILCYCE-MGPQQGTHSA-N 2 0 326.441 -0.984 20 0 EBADRP CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001374641318 1136769204 /nfs/dbraw/zinc/76/92/04/1136769204.db2.gz ZUIZEBLAEXWECH-CHWSQXEVSA-N 2 0 326.441 -0.984 20 0 EBADRP CC1CC[NH+](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCCC2)CC1 ZINC001374658646 1136781742 /nfs/dbraw/zinc/78/17/42/1136781742.db2.gz MNXXZDZVNZIMBR-HNNXBMFYSA-N 2 0 340.468 -0.593 20 0 EBADRP O=C(CCC[NH+]1CCCCC1)NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001374685973 1136801791 /nfs/dbraw/zinc/80/17/91/1136801791.db2.gz RQHXMWHQCXGWCF-GJZGRUSLSA-N 2 0 340.468 -0.402 20 0 EBADRP C[C@H](C[NH2+][C@H](C)C(=O)NC(N)=O)NC(=O)CCC[NH+]1CCCC1 ZINC001374854734 1136854504 /nfs/dbraw/zinc/85/45/04/1136854504.db2.gz TYMVPXNUNCDVRK-VXGBXAGGSA-N 2 0 327.429 -0.460 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O)[NH+]1CCCCC1 ZINC001374981031 1136888589 /nfs/dbraw/zinc/88/85/89/1136888589.db2.gz FUBSWJRVRQYGAH-JSGCOSHPSA-N 2 0 341.456 -0.214 20 0 EBADRP CCN(C(=O)C(=O)NCCC[NH+](C)CCOC)[C@H]1CC[N@H+](C)C1 ZINC000668557969 545714958 /nfs/dbraw/zinc/71/49/58/545714958.db2.gz NPUCMPDUDYYNAG-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CCO1 ZINC000642793873 376190659 /nfs/dbraw/zinc/19/06/59/376190659.db2.gz AMMODMFEDYIKQJ-OCCSQVGLSA-N 2 0 326.441 -0.448 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC000625285595 376042144 /nfs/dbraw/zinc/04/21/44/376042144.db2.gz DKQAYATVFQEVSU-AWEZNQCLSA-N 2 0 338.456 -0.120 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CCO1 ZINC000642768954 376087896 /nfs/dbraw/zinc/08/78/96/376087896.db2.gz UTKHUQMQSSVUBE-YWPYICTPSA-N 2 0 344.481 -0.886 20 0 EBADRP OC[C@@]1(O)CCC[NH+](CCCCC[N@H+]2CCC[C@@](O)(CO)C2)C1 ZINC000568779001 376189335 /nfs/dbraw/zinc/18/93/35/376189335.db2.gz JXSBAOMWPZEFMG-CALCHBBNSA-N 2 0 330.469 -0.205 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000557614059 376186852 /nfs/dbraw/zinc/18/68/52/376186852.db2.gz JTYWLCIFSOYJAY-GJZGRUSLSA-N 2 0 338.452 -0.623 20 0 EBADRP Cc1c(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cnn1C ZINC000558072764 376218185 /nfs/dbraw/zinc/21/81/85/376218185.db2.gz PGQRNXQFABZCBS-UHFFFAOYSA-N 2 0 338.456 -0.703 20 0 EBADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000566090503 376346001 /nfs/dbraw/zinc/34/60/01/376346001.db2.gz ILBLCWLEUZETQO-HUUCEWRRSA-N 3 0 341.500 -0.476 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)[C@]34C[C@H]3CC[NH2+]4)CC2)C1 ZINC000582125146 376705431 /nfs/dbraw/zinc/70/54/31/376705431.db2.gz IBMKZVDCLMBXLZ-RYRKJORJSA-N 2 0 336.480 -0.008 20 0 EBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000564981569 376743541 /nfs/dbraw/zinc/74/35/41/376743541.db2.gz MSAFYDUGWAJOHE-CHWSQXEVSA-N 2 0 328.457 -0.466 20 0 EBADRP CN1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)[C@H](C[NH3+])C1 ZINC000565033467 376857920 /nfs/dbraw/zinc/85/79/20/376857920.db2.gz YUVMGDJZXHTEBM-MRXNPFEDSA-N 2 0 346.479 -0.305 20 0 EBADRP C[C@@H]1CN([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C[C@H](C)[N@H+]1CCO ZINC000562512120 376975604 /nfs/dbraw/zinc/97/56/04/376975604.db2.gz KYRXWPNFAJNHPL-QLFBSQMISA-N 2 0 340.468 -0.548 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000562871432 377013882 /nfs/dbraw/zinc/01/38/82/377013882.db2.gz MREJWDQBIVBARM-LSDHHAIUSA-N 2 0 338.452 -0.480 20 0 EBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627363750 377032983 /nfs/dbraw/zinc/03/29/83/377032983.db2.gz WFGFQFCYFCMYRT-CQSZACIVSA-N 2 0 338.452 -0.384 20 0 EBADRP C[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000562949549 377054627 /nfs/dbraw/zinc/05/46/27/377054627.db2.gz NOEGJJSRGTWSHN-CABCVRRESA-N 2 0 342.484 -0.585 20 0 EBADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000562958227 377062238 /nfs/dbraw/zinc/06/22/38/377062238.db2.gz LQFOFWSEKBZRJQ-UHFFFAOYSA-N 3 0 329.489 -0.619 20 0 EBADRP COCCOCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+]2CC[C@H](O)C2)C1 ZINC000635929354 377138034 /nfs/dbraw/zinc/13/80/34/377138034.db2.gz UASXOEFMELFPBT-CVEARBPZSA-N 2 0 343.468 -0.361 20 0 EBADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC1=O ZINC000635933484 377139723 /nfs/dbraw/zinc/13/97/23/377139723.db2.gz IIRIKXKEMOHBQD-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP CN1CCC(CNC(=O)C(=O)NC2C[NH2+]C2)([NH+]2CCCCC2)CC1 ZINC000570030448 377199428 /nfs/dbraw/zinc/19/94/28/377199428.db2.gz HNEJBNRDVPMFHA-UHFFFAOYSA-N 2 0 337.468 -0.859 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000570044761 377201750 /nfs/dbraw/zinc/20/17/50/377201750.db2.gz ZDTAVFHRTVDMSO-MELADBBJSA-N 2 0 328.457 -0.202 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000570050388 377201785 /nfs/dbraw/zinc/20/17/85/377201785.db2.gz CGJCFLOSCVKLPI-UHFFFAOYSA-N 2 0 326.441 -0.576 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](C(N)=O)C(C)(C)C)C1 ZINC000106445216 377477517 /nfs/dbraw/zinc/47/75/17/377477517.db2.gz XGBSFPGNMDVPCL-ZFWWWQNUSA-N 2 0 342.484 -0.051 20 0 EBADRP CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)CCC[NH+](C)C)C2)CC1 ZINC000601339700 377527887 /nfs/dbraw/zinc/52/78/87/377527887.db2.gz GICJDDPSTSUDMR-OAHLLOKOSA-N 2 0 332.514 -0.020 20 0 EBADRP CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)CCC[NH+](C)C)C2)CC1 ZINC000601339699 377528891 /nfs/dbraw/zinc/52/88/91/377528891.db2.gz GICJDDPSTSUDMR-HNNXBMFYSA-N 2 0 332.514 -0.020 20 0 EBADRP CC(C)[C@@H](CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)[NH+]1CCN(C)CC1 ZINC000636524634 377552107 /nfs/dbraw/zinc/55/21/07/377552107.db2.gz RFCDEOHPTMCVLG-JKSUJKDBSA-N 2 0 341.500 -0.376 20 0 EBADRP C[NH2+]Cc1ccccc1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595271232 377987992 /nfs/dbraw/zinc/98/79/92/377987992.db2.gz JLJQTHGBTOMTOD-HUUCEWRRSA-N 2 0 331.420 -0.141 20 0 EBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCC34CC(C3)C[NH2+]4)C2)CC1 ZINC000595279335 377990480 /nfs/dbraw/zinc/99/04/80/377990480.db2.gz ZVJDKDMYHLFMQA-CSLYMUCUSA-N 2 0 349.479 -0.907 20 0 EBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCC34CC(C3)C[NH2+]4)C2)CC1 ZINC000595279337 377990559 /nfs/dbraw/zinc/99/05/59/377990559.db2.gz ZVJDKDMYHLFMQA-SWKXRBFHSA-N 2 0 349.479 -0.907 20 0 EBADRP COC(=O)CCN1CC[C@@H]([NH+]2CCC(OCCC[NH3+])CC2)C1=O ZINC000595892440 378033298 /nfs/dbraw/zinc/03/32/98/378033298.db2.gz QYDZMQZSYKHQEF-CQSZACIVSA-N 2 0 327.425 -0.020 20 0 EBADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000595958205 378038020 /nfs/dbraw/zinc/03/80/20/378038020.db2.gz YXHAXXGGJIMEFW-KBPBESRZSA-N 2 0 327.425 -0.259 20 0 EBADRP CSCC[C@H]([NH3+])C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000602528333 378361646 /nfs/dbraw/zinc/36/16/46/378361646.db2.gz REGUKEQZADIPFH-LBPRGKRZSA-N 2 0 329.470 -0.764 20 0 EBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]([NH3+])Cc1cccc(OC)c1 ZINC000602490128 378359751 /nfs/dbraw/zinc/35/97/51/378359751.db2.gz CCKZZXNWZOOOSG-GJZGRUSLSA-N 2 0 335.404 -0.072 20 0 EBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000636808436 378404812 /nfs/dbraw/zinc/40/48/12/378404812.db2.gz IPGNRWAZGSPLTE-ZBFHGGJFSA-N 2 0 340.468 -0.147 20 0 EBADRP COC[C@](C)(CNC(=O)[C@@H]1CC[N@H+](C)C1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC000603918144 378425143 /nfs/dbraw/zinc/42/51/43/378425143.db2.gz UZAFEYVKCKTOPB-KEYYUXOJSA-N 2 0 340.468 -0.473 20 0 EBADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000637264017 378553361 /nfs/dbraw/zinc/55/33/61/378553361.db2.gz JAOHIJXEHQCWMS-LSDHHAIUSA-N 2 0 329.489 -0.376 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCC[NH+]1CCC1 ZINC000337679549 378678501 /nfs/dbraw/zinc/67/85/01/378678501.db2.gz DBKRODQLXKDHNL-AWEZNQCLSA-N 2 0 325.457 -0.066 20 0 EBADRP COc1cccc([C@@H](CNC(=O)C(=O)N2CC[NH2+]CC2)[NH+](C)C)c1 ZINC000337815186 378698928 /nfs/dbraw/zinc/69/89/28/378698928.db2.gz NRSRSNKEYHWTGA-OAHLLOKOSA-N 2 0 334.420 -0.154 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000339305516 378887922 /nfs/dbraw/zinc/88/79/22/378887922.db2.gz RCAJSMGQGIGJCM-ZNMIVQPWSA-N 2 0 338.452 -0.482 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000339305515 378888601 /nfs/dbraw/zinc/88/86/01/378888601.db2.gz RCAJSMGQGIGJCM-KFWWJZLASA-N 2 0 338.452 -0.482 20 0 EBADRP CC(C)[NH+](CCNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)C(C)C ZINC000339612816 378955777 /nfs/dbraw/zinc/95/57/77/378955777.db2.gz GTRUOJVEVLAZPY-HNNXBMFYSA-N 2 0 341.500 -0.417 20 0 EBADRP CC(C)OCCN1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000339634463 378962564 /nfs/dbraw/zinc/96/25/64/378962564.db2.gz WAGZNODDVQURLS-UHFFFAOYSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000339669536 378970243 /nfs/dbraw/zinc/97/02/43/378970243.db2.gz SFINVVIXVWBUTK-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP O[C@H](C[NH2+]CC1(N2CCOCC2)CCOCC1)C[NH+]1CCCC1 ZINC000629580873 379055040 /nfs/dbraw/zinc/05/50/40/379055040.db2.gz XGFVWQSBRNFWEW-MRXNPFEDSA-N 2 0 327.469 -0.086 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)N2CCN(C)C[C@@H]2C[NH3+])CCCO1 ZINC000563593819 379049267 /nfs/dbraw/zinc/04/92/67/379049267.db2.gz ZAQRBFJCHVUHIF-GJZGRUSLSA-N 3 0 327.473 -0.228 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000563609754 379051603 /nfs/dbraw/zinc/05/16/03/379051603.db2.gz MTTXICBHGYTIPS-AWEZNQCLSA-N 2 0 335.408 -0.090 20 0 EBADRP CN1CCN(C(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H](C[NH3+])C1 ZINC000563611082 379054929 /nfs/dbraw/zinc/05/49/29/379054929.db2.gz TYNGSBPZXXLYQS-AWEZNQCLSA-N 2 0 339.484 -0.533 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000563648534 379067006 /nfs/dbraw/zinc/06/70/06/379067006.db2.gz ZSCCYQCPXAVDNL-INIZCTEOSA-N 3 0 349.479 -0.246 20 0 EBADRP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)[NH+](C)C)cc1 ZINC000627287436 379073290 /nfs/dbraw/zinc/07/32/90/379073290.db2.gz VMOOOZXEADNEGD-HOTGVXAUSA-N 2 0 348.447 -0.181 20 0 EBADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1=O ZINC000452780887 379095739 /nfs/dbraw/zinc/09/57/39/379095739.db2.gz IGWODGVTOWHHSP-CABCVRRESA-N 2 0 340.468 -0.641 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627291969 379121734 /nfs/dbraw/zinc/12/17/34/379121734.db2.gz JHIFJQAEILRZDL-INIZCTEOSA-N 2 0 348.447 -0.189 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000629800347 379142323 /nfs/dbraw/zinc/14/23/23/379142323.db2.gz QMKJDKLASFIHPU-ZDUSSCGKSA-N 2 0 326.441 -0.495 20 0 EBADRP CC[NH2+]CCCNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000571388196 379167842 /nfs/dbraw/zinc/16/78/42/379167842.db2.gz QBVGVOHIATYLJN-AWEZNQCLSA-N 2 0 328.457 -0.281 20 0 EBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000571407754 379174662 /nfs/dbraw/zinc/17/46/62/379174662.db2.gz KKFRTSGKXVYARJ-LSDHHAIUSA-N 2 0 349.483 -0.042 20 0 EBADRP CN(CCOCCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCC[NH+]1C ZINC000619325604 379183119 /nfs/dbraw/zinc/18/31/19/379183119.db2.gz VCRGHQOAMREGND-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP O=C(NCc1ccc(CN2CCOCC2)cc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627301935 379229552 /nfs/dbraw/zinc/22/95/52/379229552.db2.gz SVPZANSEMRKFTG-MRXNPFEDSA-N 2 0 346.431 -0.387 20 0 EBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@]1(O)CCOC1 ZINC000413283467 379223266 /nfs/dbraw/zinc/22/32/66/379223266.db2.gz SLTHXXGGILPJSA-KRWDZBQOSA-N 2 0 334.420 -0.139 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@](C)(C(N)=O)C(C)C)C1 ZINC000459454072 379250030 /nfs/dbraw/zinc/25/00/30/379250030.db2.gz BEPXURISVWUVFH-PBHICJAKSA-N 2 0 342.484 -0.051 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000627305923 379278536 /nfs/dbraw/zinc/27/85/36/379278536.db2.gz LGDFVASTNCXPQV-ATGSNQNLSA-N 2 0 338.452 -0.653 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000627305925 379280184 /nfs/dbraw/zinc/28/01/84/379280184.db2.gz LGDFVASTNCXPQV-PMOUVXMZSA-N 2 0 338.452 -0.653 20 0 EBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627320090 379323189 /nfs/dbraw/zinc/32/31/89/379323189.db2.gz QBBFWTOEHCJHDT-KGLIPLIRSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@H]1CN(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H](C)O1 ZINC000112362255 379314483 /nfs/dbraw/zinc/31/44/83/379314483.db2.gz ODOYOLWCNPMVOD-KBPBESRZSA-N 2 0 336.502 -0.234 20 0 EBADRP C[C@H]1CC[C@@H](NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C[NH2+]1 ZINC000627338624 379374628 /nfs/dbraw/zinc/37/46/28/379374628.db2.gz LRXPCLOBEVCUTG-DZGCQCFKSA-N 2 0 339.484 -0.615 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621842923 379366942 /nfs/dbraw/zinc/36/69/42/379366942.db2.gz BBHAHWUCKGGSOY-JJRVBVJISA-N 2 0 338.452 -0.447 20 0 EBADRP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000642640919 379538951 /nfs/dbraw/zinc/53/89/51/379538951.db2.gz LUBMHOXZIRVDCJ-GOEBONIOSA-N 2 0 348.447 -0.143 20 0 EBADRP Nc1nc(N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)nc(N)[nH+]1 ZINC000624048714 379502244 /nfs/dbraw/zinc/50/22/44/379502244.db2.gz SOVYGZAZKWCJEG-OLZOCXBDSA-N 2 0 329.408 -0.586 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000627398448 379580958 /nfs/dbraw/zinc/58/09/58/379580958.db2.gz MXPNLHHVSJEZAS-CQSZACIVSA-N 2 0 327.473 -0.817 20 0 EBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000627411977 379586215 /nfs/dbraw/zinc/58/62/15/379586215.db2.gz ZXZGIPKHMZMNRX-CQSZACIVSA-N 2 0 340.468 -0.057 20 0 EBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000627412920 379586607 /nfs/dbraw/zinc/58/66/07/379586607.db2.gz XDNFQZZVJVZULL-AWEZNQCLSA-N 2 0 338.452 -0.447 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000627427246 379592016 /nfs/dbraw/zinc/59/20/16/379592016.db2.gz AEIODKAPRIQKTE-AWEZNQCLSA-N 2 0 340.468 -0.057 20 0 EBADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627442487 379599758 /nfs/dbraw/zinc/59/97/58/379599758.db2.gz KWWPFBNOQOTASM-CQSZACIVSA-N 2 0 340.468 -0.138 20 0 EBADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627442486 379599974 /nfs/dbraw/zinc/59/99/74/379599974.db2.gz KWWPFBNOQOTASM-AWEZNQCLSA-N 2 0 340.468 -0.138 20 0 EBADRP C[C@H]1CC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[NH2+]1 ZINC000627364302 379565372 /nfs/dbraw/zinc/56/53/72/379565372.db2.gz MBTWGLPDCVJIRU-LSDHHAIUSA-N 2 0 339.484 -0.613 20 0 EBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000627363688 379565566 /nfs/dbraw/zinc/56/55/66/379565566.db2.gz UOBDFIZEFXMXRK-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H](NC(=O)C(=O)NCC1([NH3+])CCOCC1)C(C)(C)C[NH+](C)C ZINC000627369331 379568629 /nfs/dbraw/zinc/56/86/29/379568629.db2.gz QSYPZLJKBNNLQD-LBPRGKRZSA-N 2 0 328.457 -0.297 20 0 EBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000627371012 379571092 /nfs/dbraw/zinc/57/10/92/379571092.db2.gz SORXFIYWOZNTAC-CJNGLKHVSA-N 2 0 342.509 -0.004 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000627380755 379574835 /nfs/dbraw/zinc/57/48/35/379574835.db2.gz XTKPKKLAAISDCD-CQSZACIVSA-N 2 0 326.441 -0.719 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C[NH2+]1 ZINC000627480023 379629118 /nfs/dbraw/zinc/62/91/18/379629118.db2.gz KCTOQDPCYJKQGB-KGLIPLIRSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCCOCCC[NH3+] ZINC000627486339 379634794 /nfs/dbraw/zinc/63/47/94/379634794.db2.gz YKUDMAGHDSPQLG-CYBMUJFWSA-N 2 0 328.457 -0.343 20 0 EBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCCOCCC[NH3+] ZINC000627488626 379637541 /nfs/dbraw/zinc/63/75/41/379637541.db2.gz DFSKPPPBQGYJPZ-AWEZNQCLSA-N 2 0 328.457 -0.199 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000627499024 379644106 /nfs/dbraw/zinc/64/41/06/379644106.db2.gz WMZPQFZORBKCSO-KCQAQPDRSA-N 2 0 338.452 -0.435 20 0 EBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627453696 379605976 /nfs/dbraw/zinc/60/59/76/379605976.db2.gz VDTSEEXOYNZVHT-AWEZNQCLSA-N 2 0 340.468 -0.199 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000627463816 379612505 /nfs/dbraw/zinc/61/25/05/379612505.db2.gz JBKINRQLBHXFLJ-ZDUSSCGKSA-N 2 0 328.457 -0.473 20 0 EBADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000627468851 379614919 /nfs/dbraw/zinc/61/49/19/379614919.db2.gz FMGJAUZPQSTGLA-LSDHHAIUSA-N 2 0 338.452 -0.432 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000627465058 379615584 /nfs/dbraw/zinc/61/55/84/379615584.db2.gz WAJHCPXGRGBUKR-ZIAGYGMSSA-N 2 0 326.441 -0.719 20 0 EBADRP CCN1C[C@@H](S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1=O ZINC000631897442 379725688 /nfs/dbraw/zinc/72/56/88/379725688.db2.gz IERPLQPJNGTVNG-ZDUSSCGKSA-N 2 0 334.486 -0.638 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000642222624 379744349 /nfs/dbraw/zinc/74/43/49/379744349.db2.gz ITYHWUOAINTGAN-GJZGRUSLSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000631953231 379791892 /nfs/dbraw/zinc/79/18/92/379791892.db2.gz GCVPFPUBJGPERY-CABCVRRESA-N 2 0 330.498 -0.233 20 0 EBADRP C[NH+](C)C[C@H]1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000631965016 379793102 /nfs/dbraw/zinc/79/31/02/379793102.db2.gz QXSTWBAJPLXQNV-OAHLLOKOSA-N 2 0 332.514 -0.163 20 0 EBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000631958384 379793605 /nfs/dbraw/zinc/79/36/05/379793605.db2.gz RHNCEAYQEPYWBJ-LSDHHAIUSA-N 2 0 347.481 -0.605 20 0 EBADRP [NH3+][C@H](CCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000631963750 379793844 /nfs/dbraw/zinc/79/38/44/379793844.db2.gz KMQZHHZVXSFERV-CABCVRRESA-N 2 0 327.450 -0.146 20 0 EBADRP [NH3+][C@@H](CCNS(=O)(=O)C[C@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000631963753 379794307 /nfs/dbraw/zinc/79/43/07/379794307.db2.gz KMQZHHZVXSFERV-LSDHHAIUSA-N 2 0 327.450 -0.146 20 0 EBADRP C[NH+](C)CCCS(=O)(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000631975905 379796403 /nfs/dbraw/zinc/79/64/03/379796403.db2.gz MKDOOVDUWBEXHK-OAHLLOKOSA-N 2 0 332.514 -0.020 20 0 EBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631970653 379777726 /nfs/dbraw/zinc/77/77/26/379777726.db2.gz ZFFNXIVSKNXCKS-STQMWFEESA-N 2 0 327.454 -0.204 20 0 EBADRP CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631922697 379779131 /nfs/dbraw/zinc/77/91/31/379779131.db2.gz CKOMZZHUIQCUJK-HUUCEWRRSA-N 2 0 348.513 -0.832 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000631927973 379783847 /nfs/dbraw/zinc/78/38/47/379783847.db2.gz NRDZDQITRNVDGC-HNNXBMFYSA-N 2 0 332.514 -0.115 20 0 EBADRP C[NH+](C)CCCS(=O)(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000631931795 379785444 /nfs/dbraw/zinc/78/54/44/379785444.db2.gz NTZQGQFHTOMTQW-CYBMUJFWSA-N 2 0 334.486 -0.413 20 0 EBADRP C[NH+](C)CCOCCNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632202006 379830212 /nfs/dbraw/zinc/83/02/12/379830212.db2.gz ZZSJUEYDPYEPRJ-UHFFFAOYSA-N 2 0 336.502 -0.879 20 0 EBADRP C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632367856 379854236 /nfs/dbraw/zinc/85/42/36/379854236.db2.gz XSMNSKLWHVRPCU-GJZGRUSLSA-N 2 0 332.514 -0.022 20 0 EBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000642329777 379811316 /nfs/dbraw/zinc/81/13/16/379811316.db2.gz OKYDEQKRJVOIDA-QPSCCSFWSA-N 2 0 340.468 -0.202 20 0 EBADRP CN(C(=O)NC[C@@H]1COCC[NH2+]1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000627190187 379828164 /nfs/dbraw/zinc/82/81/64/379828164.db2.gz YCUKNGHDBUFCBI-ZBFHGGJFSA-N 2 0 339.484 -0.215 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633088534 379931891 /nfs/dbraw/zinc/93/18/91/379931891.db2.gz HGXYXHRFNQOIMY-CQSZACIVSA-N 2 0 328.457 -0.247 20 0 EBADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633102176 379938080 /nfs/dbraw/zinc/93/80/80/379938080.db2.gz RHYIEKZLVNPNJE-KBPBESRZSA-N 2 0 338.452 -0.482 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000633110787 379942310 /nfs/dbraw/zinc/94/23/10/379942310.db2.gz YEXWEAGZJLOHRK-ZNMIVQPWSA-N 2 0 338.452 -0.482 20 0 EBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000633143406 379949611 /nfs/dbraw/zinc/94/96/11/379949611.db2.gz LVRKMTRPCKDRHL-KBPBESRZSA-N 2 0 340.468 -0.106 20 0 EBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)/C=C/C[NH+](C)C ZINC000281614624 380031325 /nfs/dbraw/zinc/03/13/25/380031325.db2.gz FILKBFFECRAJDB-AATRIKPKSA-N 2 0 326.441 -0.647 20 0 EBADRP C[C@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000354737233 380089921 /nfs/dbraw/zinc/08/99/21/380089921.db2.gz IIXZAVCNIRBHDU-CABCVRRESA-N 2 0 339.484 -0.756 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@]2(O)CC[NH+](C)C2)C1 ZINC000545176721 380084507 /nfs/dbraw/zinc/08/45/07/380084507.db2.gz MELVLEWEXKBOAE-GDBMZVCRSA-N 2 0 328.457 -0.291 20 0 EBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+](C2CCOCC2)CC1 ZINC000354693273 380084521 /nfs/dbraw/zinc/08/45/21/380084521.db2.gz OQLYTBTUCZXICY-HNNXBMFYSA-N 2 0 338.452 -0.432 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000545176725 380084538 /nfs/dbraw/zinc/08/45/38/380084538.db2.gz MELVLEWEXKBOAE-HOCLYGCPSA-N 2 0 328.457 -0.291 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000354702446 380086343 /nfs/dbraw/zinc/08/63/43/380086343.db2.gz CQHRGYDAFAHIQR-OAHLLOKOSA-N 2 0 340.468 -0.138 20 0 EBADRP CCN(CC)S(=O)(=O)CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000542444630 380044597 /nfs/dbraw/zinc/04/45/97/380044597.db2.gz HKQRCNAXURMEER-UHFFFAOYSA-N 2 0 336.502 -0.390 20 0 EBADRP CCc1nncn1CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000547382915 380133400 /nfs/dbraw/zinc/13/34/00/380133400.db2.gz VLGNYTVMASDQON-UHFFFAOYSA-N 2 0 325.461 -0.025 20 0 EBADRP C[NH+]1CCN(c2cc(CNC(=O)CN3CC[NH2+]CC3)ccn2)CC1 ZINC000638136693 380200574 /nfs/dbraw/zinc/20/05/74/380200574.db2.gz LAWGQVDMZQSSFN-UHFFFAOYSA-N 2 0 332.452 -0.645 20 0 EBADRP CN1CCC(CNC(=O)CN2CC[NH2+]CC2)([NH+]2CCCCC2)CC1 ZINC000638139998 380200642 /nfs/dbraw/zinc/20/06/42/380200642.db2.gz SOMRGDOPXZARKA-UHFFFAOYSA-N 3 0 337.512 -0.042 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)C1=CC[NH+](C)CC1 ZINC000286187229 380291795 /nfs/dbraw/zinc/29/17/95/380291795.db2.gz XGQMOCGSHLTEJI-ZDUSSCGKSA-N 2 0 326.441 -0.553 20 0 EBADRP COCCOCC[N@H+](C)CCC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000638226107 380293479 /nfs/dbraw/zinc/29/34/79/380293479.db2.gz CYGTYIHBOMFUQY-INIZCTEOSA-N 2 0 342.484 -0.523 20 0 EBADRP C[C@@H]1CN(CCN(C)C(=O)C(=O)N(C)CCC[NH+](C)C)C[C@H](C)O1 ZINC000564782466 380379224 /nfs/dbraw/zinc/37/92/24/380379224.db2.gz JRDGSUYIDWWMRS-GASCZTMLSA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000340267385 380395212 /nfs/dbraw/zinc/39/52/12/380395212.db2.gz HTJLVBSQBFKURO-CABCVRRESA-N 2 0 339.484 -0.661 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000362872157 380440017 /nfs/dbraw/zinc/44/00/17/380440017.db2.gz FYSQHMHAKXWRHG-MGPQQGTHSA-N 2 0 331.482 -0.239 20 0 EBADRP Cc1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nc1 ZINC000566207829 380454061 /nfs/dbraw/zinc/45/40/61/380454061.db2.gz DBWPCLIQZTWMRF-UHFFFAOYSA-N 2 0 335.452 -0.042 20 0 EBADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000565240576 380409769 /nfs/dbraw/zinc/40/97/69/380409769.db2.gz YQHNLYHWUWOAPR-SNPRPXQTSA-N 2 0 341.415 -0.192 20 0 EBADRP C[C@H](C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)N1CCNCC1=O ZINC000638338791 380412738 /nfs/dbraw/zinc/41/27/38/380412738.db2.gz GXANTSDZEJWKGR-INWMFGNUSA-N 2 0 338.452 -0.448 20 0 EBADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NC1C[NH2+]C1 ZINC000566905034 380493471 /nfs/dbraw/zinc/49/34/71/380493471.db2.gz YNEZVQYIEZCUNP-UHFFFAOYSA-N 2 0 345.447 -0.992 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCSC1 ZINC000340436586 380498064 /nfs/dbraw/zinc/49/80/64/380498064.db2.gz RWZAVVKGQQYRLJ-WBMJQRKESA-N 2 0 340.493 -0.107 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCSC1 ZINC000340436584 380499159 /nfs/dbraw/zinc/49/91/59/380499159.db2.gz RWZAVVKGQQYRLJ-MLGOLLRUSA-N 2 0 340.493 -0.107 20 0 EBADRP Cc1cccc(OC[C@@H](O)C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000567111072 380501750 /nfs/dbraw/zinc/50/17/50/380501750.db2.gz GPZBXDKMYSDTSX-SJORKVTESA-N 2 0 337.464 -0.067 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[C@@H]1C(F)(F)F ZINC000638560367 380514465 /nfs/dbraw/zinc/51/44/65/380514465.db2.gz TUCGVEIALMILMB-VWYCJHECSA-N 2 0 336.358 -0.160 20 0 EBADRP CC[NH+]1CCC(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000340355259 380472379 /nfs/dbraw/zinc/47/23/79/380472379.db2.gz OFZBWYNLOREDDW-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000340356488 380472462 /nfs/dbraw/zinc/47/24/62/380472462.db2.gz VTXOLEPKDXLOKI-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP O=C([C@H]1C[NH2+]CCC1(F)F)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638479612 380482300 /nfs/dbraw/zinc/48/23/00/380482300.db2.gz ALSWLHBUICHPFQ-GFCCVEGCSA-N 2 0 345.394 -0.599 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000340506859 380522265 /nfs/dbraw/zinc/52/22/65/380522265.db2.gz LOTCMDAMJMEKMS-CYBMUJFWSA-N 2 0 326.441 -0.719 20 0 EBADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000567667794 380536042 /nfs/dbraw/zinc/53/60/42/380536042.db2.gz ZZIFZLUEDHKQEJ-AWEZNQCLSA-N 2 0 329.404 -0.414 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1CCn2ccnc2C1 ZINC000340550156 380537228 /nfs/dbraw/zinc/53/72/28/380537228.db2.gz JDQWVWHIRYMCLO-CYBMUJFWSA-N 2 0 337.424 -0.601 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[NH+](C)CC[C@H]1C ZINC000340558538 380540874 /nfs/dbraw/zinc/54/08/74/380540874.db2.gz VIPCTXHNZUIGJU-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@]3(c4ccccc4)CC[NH2+]C3)CCN2C1=O ZINC000568109015 380575200 /nfs/dbraw/zinc/57/52/00/380575200.db2.gz WKJCODWJQGRFOU-IIDMSEBBSA-N 2 0 328.416 -0.312 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000572617432 380638516 /nfs/dbraw/zinc/63/85/16/380638516.db2.gz MXOCRCOKWNRJPF-CABCVRRESA-N 3 0 327.473 -0.373 20 0 EBADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@]1(CC(=O)NC[C@@H]([NH3+])C(C)C)CC[NH2+]C1 ZINC000573207904 380664236 /nfs/dbraw/zinc/66/42/36/380664236.db2.gz ROWXMCHESDXWIH-KEYYUXOJSA-N 3 0 341.500 -0.445 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000341154165 380672289 /nfs/dbraw/zinc/67/22/89/380672289.db2.gz DQOZATOGIIOTEU-ZIAGYGMSSA-N 2 0 325.457 -0.033 20 0 EBADRP CN1CC[NH2+]C[C@H]1CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000573850386 380690951 /nfs/dbraw/zinc/69/09/51/380690951.db2.gz JUKQADLFYIGACE-INIZCTEOSA-N 2 0 346.479 -0.387 20 0 EBADRP O=C(CCOC1C[NH2+]C1)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000573916207 380692560 /nfs/dbraw/zinc/69/25/60/380692560.db2.gz LUOPATQENNBQBN-HIFRSBDPSA-N 2 0 338.452 -0.528 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C[C@]1(C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC[NH2+]C1 ZINC000638767592 380699775 /nfs/dbraw/zinc/69/97/75/380699775.db2.gz HKQMIGVBWYPMJI-CNUKPYSBSA-N 3 0 337.468 -0.911 20 0 EBADRP C[NH+](C)C1CCN(CCNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000573124045 380660512 /nfs/dbraw/zinc/66/05/12/380660512.db2.gz SFDOWLBAFLTTLO-AWEZNQCLSA-N 2 0 349.483 -0.214 20 0 EBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)CCN2C1=O ZINC000576004069 380754151 /nfs/dbraw/zinc/75/41/51/380754151.db2.gz MAMYOGLYJGYFGQ-FXUDXRNXSA-N 2 0 343.431 -0.305 20 0 EBADRP CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)[C@H](C[NH3+])C1 ZINC000582410614 380756651 /nfs/dbraw/zinc/75/66/51/380756651.db2.gz IHRYYCJZWKUSEY-DZGCQCFKSA-N 2 0 337.468 -0.779 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000341550531 380718025 /nfs/dbraw/zinc/71/80/25/380718025.db2.gz SUAQREWLIZKYHL-RRFJBIMHSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000341623053 380720967 /nfs/dbraw/zinc/72/09/67/380720967.db2.gz XIQGAZFFSUAETO-HUUCEWRRSA-N 2 0 340.468 -0.342 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000627425357 380728330 /nfs/dbraw/zinc/72/83/30/380728330.db2.gz NANVOIRDMYMLKI-ZIAGYGMSSA-N 2 0 326.441 -0.399 20 0 EBADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)NC1C[NH2+]C1 ZINC000575160265 380732959 /nfs/dbraw/zinc/73/29/59/380732959.db2.gz IMUOVVZQFWPURB-UHFFFAOYSA-N 2 0 326.466 -0.448 20 0 EBADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@H]2C[NH2+]CCN2C)C1 ZINC000575355459 380737422 /nfs/dbraw/zinc/73/74/22/380737422.db2.gz IHYCDIOFTNGHAV-XHSDSOJGSA-N 2 0 339.484 -0.215 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)NCC(=O)N2CC[NH2+]CC2)CCSC1 ZINC000575853341 380748340 /nfs/dbraw/zinc/74/83/40/380748340.db2.gz WGFIPIDAWQTBIN-AWEZNQCLSA-N 2 0 329.470 -0.845 20 0 EBADRP CC(C)[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000575920026 380751280 /nfs/dbraw/zinc/75/12/80/380751280.db2.gz HUWDBROXITYQLG-CABCVRRESA-N 2 0 339.484 -0.757 20 0 EBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)C[NH2+]C[C@@H]3CCCO3)CC2)C1=O ZINC000638855550 380773703 /nfs/dbraw/zinc/77/37/03/380773703.db2.gz DQGXSSNEGVWQIA-LSDHHAIUSA-N 2 0 338.452 -0.434 20 0 EBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)C[NH2+]C[C@H]3CCCO3)CC2)C1=O ZINC000638855547 380773843 /nfs/dbraw/zinc/77/38/43/380773843.db2.gz DQGXSSNEGVWQIA-CABCVRRESA-N 2 0 338.452 -0.434 20 0 EBADRP NCC(F)(F)CNC(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000417153381 380799567 /nfs/dbraw/zinc/79/95/67/380799567.db2.gz JGVVUOUWSZZCKE-UHFFFAOYSA-N 2 0 343.382 -0.508 20 0 EBADRP CC[NH2+]CCCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000577593186 380830844 /nfs/dbraw/zinc/83/08/44/380830844.db2.gz AOSXIIIGXZPXLD-CQSZACIVSA-N 2 0 325.457 -0.161 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000578370785 380927664 /nfs/dbraw/zinc/92/76/64/380927664.db2.gz WURRRZGNJPELBX-UHFFFAOYSA-N 2 0 328.457 -0.342 20 0 EBADRP COCC(C)(C)N1CCN(C(=O)C(=O)N2CCN(C)CC2)CC1 ZINC000425398441 380896368 /nfs/dbraw/zinc/89/63/68/380896368.db2.gz HYFYYJRXFKENDQ-UHFFFAOYSA-N 2 0 326.441 -0.670 20 0 EBADRP CC[N@H+](CCNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C1CC1 ZINC000417482921 380916529 /nfs/dbraw/zinc/91/65/29/380916529.db2.gz IZNAAKOOFRKULK-CYBMUJFWSA-N 2 0 325.457 -0.033 20 0 EBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000578988504 380963104 /nfs/dbraw/zinc/96/31/04/380963104.db2.gz NCZGRANJQBTTBK-RDBSUJKOSA-N 2 0 340.468 -0.060 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCn2cc(Br)cn2)CC1 ZINC000578981959 380963245 /nfs/dbraw/zinc/96/32/45/380963245.db2.gz PWBWXBBVHQTNCJ-CYBMUJFWSA-N 2 0 346.273 -0.157 20 0 EBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)[C@H](C)C1 ZINC000376776762 380935439 /nfs/dbraw/zinc/93/54/39/380935439.db2.gz JBODDUMZQQLMLW-FXUDXRNXSA-N 2 0 340.468 -0.054 20 0 EBADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000579351797 380984291 /nfs/dbraw/zinc/98/42/91/380984291.db2.gz ANHMNZQCQDEICI-HNNXBMFYSA-N 2 0 326.441 -0.672 20 0 EBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)COC2CCC([NH3+])CC2)C1 ZINC000579590428 380998443 /nfs/dbraw/zinc/99/84/43/380998443.db2.gz HFPARKMLCDGZQX-IYXRBSQSSA-N 2 0 326.441 -0.414 20 0 EBADRP CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000392002444 380998913 /nfs/dbraw/zinc/99/89/13/380998913.db2.gz QIQVYFZAYPYUCE-UONOGXRCSA-N 2 0 346.497 -0.542 20 0 EBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C2)CC1 ZINC000581193651 381061245 /nfs/dbraw/zinc/06/12/45/381061245.db2.gz PCMIFQHCPYQSGR-ZBFHGGJFSA-N 2 0 339.484 -0.676 20 0 EBADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)[C@@H]1n1cccn1 ZINC000581365449 381070052 /nfs/dbraw/zinc/07/00/52/381070052.db2.gz SKYLJUMXOCQKJI-TWMKSMIVSA-N 2 0 337.468 -0.201 20 0 EBADRP CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)[C@@H](C[NH3+])C1 ZINC000580768543 381032705 /nfs/dbraw/zinc/03/27/05/381032705.db2.gz RTPTYSRGAGBXPR-QLFBSQMISA-N 2 0 337.468 -0.970 20 0 EBADRP Cc1ccc(C(=O)NCCC(=O)N2CCN(C)C[C@H]2C[NH3+])c(O)c1 ZINC000580834478 381037454 /nfs/dbraw/zinc/03/74/54/381037454.db2.gz HMEQRUJSQSTWGT-CYBMUJFWSA-N 2 0 334.420 -0.078 20 0 EBADRP Cc1ccc(C(=O)NCCC(=O)N2CCN(C)C[C@@H]2C[NH3+])c(O)c1 ZINC000580834479 381038196 /nfs/dbraw/zinc/03/81/96/381038196.db2.gz HMEQRUJSQSTWGT-ZDUSSCGKSA-N 2 0 334.420 -0.078 20 0 EBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000580884182 381040317 /nfs/dbraw/zinc/04/03/17/381040317.db2.gz FHRUTXMWALCTCF-KFWWJZLASA-N 2 0 338.452 -0.434 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000580955833 381044650 /nfs/dbraw/zinc/04/46/50/381044650.db2.gz QXSMDQTXMHLYPD-UHFFFAOYSA-N 2 0 340.468 -0.199 20 0 EBADRP CN1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)[C@@H](C[NH3+])C1 ZINC000584829524 381215057 /nfs/dbraw/zinc/21/50/57/381215057.db2.gz TUBRXIQXJBAVMK-ZDUSSCGKSA-N 2 0 325.457 -0.922 20 0 EBADRP O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)NC[C@@H]1C[NH2+]CCO1 ZINC000418757154 381261681 /nfs/dbraw/zinc/26/16/81/381261681.db2.gz DJWRYHHSRWMPEL-BBWFWOEESA-N 2 0 348.447 -0.091 20 0 EBADRP CN1CC[NH2+]C[C@H]1CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000418756466 381261736 /nfs/dbraw/zinc/26/17/36/381261736.db2.gz GZUVVKBIZILHBQ-GJZGRUSLSA-N 2 0 327.473 -0.358 20 0 EBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000633141409 381242332 /nfs/dbraw/zinc/24/23/32/381242332.db2.gz JZTPUUJOTRQKPT-CHWSQXEVSA-N 2 0 326.441 -0.496 20 0 EBADRP COC1CC[NH+](C2(CNC(=O)CNC(=O)C[NH3+])CCCC2)CC1 ZINC000347653772 381249319 /nfs/dbraw/zinc/24/93/19/381249319.db2.gz SWRYMYVUSNJOOL-UHFFFAOYSA-N 2 0 326.441 -0.399 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C[N@@H+]1C1CC1 ZINC000347960494 381297730 /nfs/dbraw/zinc/29/77/30/381297730.db2.gz HHIDYZNMXGTZLW-VNHYZAJKSA-N 2 0 337.468 -0.910 20 0 EBADRP [NH3+]CCCNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418804094 381279382 /nfs/dbraw/zinc/27/93/82/381279382.db2.gz LYYPKNWEHBSCBF-UHFFFAOYSA-N 2 0 340.468 -0.150 20 0 EBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000418883586 381330254 /nfs/dbraw/zinc/33/02/54/381330254.db2.gz VEZOCLFUCKMXMZ-RRFJBIMHSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000418883125 381331149 /nfs/dbraw/zinc/33/11/49/381331149.db2.gz ZUTHBDGQJZMYOM-HZPDHXFCSA-N 2 0 348.447 -0.538 20 0 EBADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418870307 381320548 /nfs/dbraw/zinc/32/05/48/381320548.db2.gz YKCGCJXYJIWADO-JKSUJKDBSA-N 2 0 346.431 -0.518 20 0 EBADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N(CC[NH3+])CCO)([NH+](C)C)C1 ZINC000418913594 381346390 /nfs/dbraw/zinc/34/63/90/381346390.db2.gz GMBXZJOOVIIQTJ-CJNGLKHVSA-N 2 0 328.457 -0.607 20 0 EBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419080056 381362685 /nfs/dbraw/zinc/36/26/85/381362685.db2.gz OIMNVPXGTJGXBZ-ZIAGYGMSSA-N 2 0 326.441 -0.528 20 0 EBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000419289503 381411107 /nfs/dbraw/zinc/41/11/07/381411107.db2.gz TZNCLAINCMIPFZ-KGLIPLIRSA-N 2 0 328.457 -0.201 20 0 EBADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)CC(C)C ZINC000419127999 381389137 /nfs/dbraw/zinc/38/91/37/381389137.db2.gz UNFAPLLLSBMHRV-CABCVRRESA-N 2 0 342.484 -0.036 20 0 EBADRP C[NH2+]CCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419164139 381391254 /nfs/dbraw/zinc/39/12/54/381391254.db2.gz LKBQADIDGIJDLO-INIZCTEOSA-N 2 0 348.447 -0.271 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000419540768 381450569 /nfs/dbraw/zinc/45/05/69/381450569.db2.gz QXQCFXDTJIWIRE-HUUCEWRRSA-N 2 0 340.468 -0.199 20 0 EBADRP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)[C@H](C[NH3+])C1 ZINC000419419948 381434065 /nfs/dbraw/zinc/43/40/65/381434065.db2.gz JKRAVPDVVHIJBE-SOUVJXGZSA-N 2 0 340.468 -0.058 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000419537362 381450815 /nfs/dbraw/zinc/45/08/15/381450815.db2.gz NEAKSFQOAMVDGW-BFHYXJOUSA-N 2 0 326.441 -0.672 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000419444652 381439197 /nfs/dbraw/zinc/43/91/97/381439197.db2.gz DFGCMBKQWKERFK-KGLIPLIRSA-N 2 0 328.457 -0.295 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419453760 381441903 /nfs/dbraw/zinc/44/19/03/381441903.db2.gz SFAQTNLBNGYWFV-OKILXGFUSA-N 2 0 326.441 -0.576 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1CC(=O)NC1=O ZINC000348831712 381419451 /nfs/dbraw/zinc/41/94/51/381419451.db2.gz IILDXRGKLHTMTQ-CYBMUJFWSA-N 2 0 339.440 -0.587 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC[NH2+]1 ZINC000419687851 381472900 /nfs/dbraw/zinc/47/29/00/381472900.db2.gz QJQFOTYNQOATFI-CQSZACIVSA-N 2 0 338.452 -0.432 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419681497 381483140 /nfs/dbraw/zinc/48/31/40/381483140.db2.gz RXDJTFJEKJAHHN-OLZOCXBDSA-N 2 0 344.456 -0.700 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000419548125 381453230 /nfs/dbraw/zinc/45/32/30/381453230.db2.gz SJRUHXKLNVWVSO-KFWWJZLASA-N 2 0 340.468 -0.058 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000419548262 381453814 /nfs/dbraw/zinc/45/38/14/381453814.db2.gz SRGXJLPKJAKNSL-KFWWJZLASA-N 2 0 340.468 -0.153 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000419554575 381456024 /nfs/dbraw/zinc/45/60/24/381456024.db2.gz IBEPDSKSSOKOLB-YVECIDJPSA-N 2 0 326.441 -0.186 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419595369 381461601 /nfs/dbraw/zinc/46/16/01/381461601.db2.gz WIYMMNWSLFLOAT-KGLIPLIRSA-N 2 0 326.441 -0.528 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000419672101 381468722 /nfs/dbraw/zinc/46/87/22/381468722.db2.gz GFPOIYKWSVDUAT-AWEZNQCLSA-N 2 0 342.484 -0.035 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000419853299 381508698 /nfs/dbraw/zinc/50/86/98/381508698.db2.gz AKPAHVITHLPAGL-LSDHHAIUSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419859391 381510100 /nfs/dbraw/zinc/51/01/00/381510100.db2.gz YXASCPLXROYNFB-OAHLLOKOSA-N 2 0 339.484 -0.612 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCCC[NH2+]C2CC2)C[C@@H](C)O1 ZINC000419858790 381511816 /nfs/dbraw/zinc/51/18/16/381511816.db2.gz XOMPYYHZJIOYTF-ZIAGYGMSSA-N 2 0 340.468 -0.140 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419867316 381513278 /nfs/dbraw/zinc/51/32/78/381513278.db2.gz BODJAIYHLNQPGE-HUUCEWRRSA-N 2 0 337.468 -0.907 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000419891820 381519732 /nfs/dbraw/zinc/51/97/32/381519732.db2.gz NQWDXKQBDOEMML-KGLIPLIRSA-N 2 0 328.457 -0.473 20 0 EBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000419891150 381519899 /nfs/dbraw/zinc/51/98/99/381519899.db2.gz UCICUOHVLAHIKU-HNNXBMFYSA-N 2 0 337.468 -0.905 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000419781558 381495179 /nfs/dbraw/zinc/49/51/79/381495179.db2.gz SRBBNAVEGWZTIY-CYBMUJFWSA-N 2 0 328.457 -0.425 20 0 EBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419893806 381519948 /nfs/dbraw/zinc/51/99/48/381519948.db2.gz MSJIVGLYINEABZ-UONOGXRCSA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000419892130 381520115 /nfs/dbraw/zinc/52/01/15/381520115.db2.gz NXMZHQSQGBOBCF-MCIONIFRSA-N 2 0 326.441 -0.530 20 0 EBADRP C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000420145401 381544444 /nfs/dbraw/zinc/54/44/44/381544444.db2.gz OVSYZRYWXUVYSI-KBPBESRZSA-N 2 0 339.484 -0.663 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)c1 ZINC000420068038 381529787 /nfs/dbraw/zinc/52/97/87/381529787.db2.gz TZSQGSLQODAUJE-CQSZACIVSA-N 2 0 347.419 -0.408 20 0 EBADRP CN1CCN(C(=O)CC[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)CC1 ZINC000420313515 381579294 /nfs/dbraw/zinc/57/92/94/381579294.db2.gz UGKYNLMPNAFIGR-HNNXBMFYSA-N 2 0 337.468 -0.953 20 0 EBADRP Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(=O)n(C)c1=O ZINC000420328435 381581404 /nfs/dbraw/zinc/58/14/04/381581404.db2.gz MLTKLPJIWLVSLO-VXGBXAGGSA-N 2 0 349.435 -0.830 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000420174406 381561602 /nfs/dbraw/zinc/56/16/02/381561602.db2.gz SZCPJXCJYCKGRI-KGLIPLIRSA-N 2 0 340.468 -0.188 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000420181789 381561792 /nfs/dbraw/zinc/56/17/92/381561792.db2.gz INLLOPSJUNLUIJ-HNNXBMFYSA-N 2 0 340.468 -0.185 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)C[NH+]1CCCCC1 ZINC000420183210 381564904 /nfs/dbraw/zinc/56/49/04/381564904.db2.gz GIDDRHWPFAYDQD-LSDHHAIUSA-N 2 0 340.468 -0.281 20 0 EBADRP CC(C)[NH+](CCN(C)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)C(C)C ZINC000420194288 381566256 /nfs/dbraw/zinc/56/62/56/381566256.db2.gz JPUOQNIJYHWRIX-AWEZNQCLSA-N 2 0 328.457 -0.332 20 0 EBADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000420192453 381566847 /nfs/dbraw/zinc/56/68/47/381566847.db2.gz BIALDHGYLXUDQQ-CABCVRRESA-N 2 0 338.452 -0.432 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000571777531 381620576 /nfs/dbraw/zinc/62/05/76/381620576.db2.gz VSJSIHOTKRSSDD-OAHLLOKOSA-N 2 0 337.468 -0.064 20 0 EBADRP Cn1c2ncn(CC[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)c2c(=O)n(C)c1=O ZINC000351482060 381626391 /nfs/dbraw/zinc/62/63/91/381626391.db2.gz YNQQAMSYVZGCSA-SDDRHHMPSA-N 2 0 332.408 -0.897 20 0 EBADRP COC1CC[NH+](C(C)(C)CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351520588 381635009 /nfs/dbraw/zinc/63/50/09/381635009.db2.gz HGJVQPSUBYZMTC-AWEZNQCLSA-N 2 0 340.468 -0.140 20 0 EBADRP CC[C@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[N@@H+]1CCOC ZINC000351556410 381643738 /nfs/dbraw/zinc/64/37/38/381643738.db2.gz OCOUEQFDGZGGIP-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP O=C(CC[N@H+](CCC(F)(F)F)C[C@@H](O)CO)N1CC[NH2+]CC1 ZINC000351620012 381653128 /nfs/dbraw/zinc/65/31/28/381653128.db2.gz MISDPDLGVGDZJW-LLVKDONJSA-N 2 0 327.347 -0.584 20 0 EBADRP CCC[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000572368375 381679603 /nfs/dbraw/zinc/67/96/03/381679603.db2.gz NKRXTJMONVVKHJ-HNNXBMFYSA-N 2 0 342.484 -0.034 20 0 EBADRP CN1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000331955398 381733653 /nfs/dbraw/zinc/73/36/53/381733653.db2.gz ABLFXPYRVPELJB-RBSFLKMASA-N 2 0 338.452 -0.624 20 0 EBADRP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1CCOCC1 ZINC000572434882 381724878 /nfs/dbraw/zinc/72/48/78/381724878.db2.gz VFZGGTKFTGEPMR-AWEZNQCLSA-N 2 0 342.484 -0.131 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000332438852 381795855 /nfs/dbraw/zinc/79/58/55/381795855.db2.gz BRLFYMJNOYLCJZ-HNNXBMFYSA-N 2 0 338.452 -0.351 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000627395087 381802169 /nfs/dbraw/zinc/80/21/69/381802169.db2.gz ZQOVKUOKFFBBNP-ZDUSSCGKSA-N 2 0 328.457 -0.343 20 0 EBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000332531378 381808072 /nfs/dbraw/zinc/80/80/72/381808072.db2.gz QKLPEENENTZLDI-CQSZACIVSA-N 2 0 338.452 -0.623 20 0 EBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000332531376 381809104 /nfs/dbraw/zinc/80/91/04/381809104.db2.gz QKLPEENENTZLDI-AWEZNQCLSA-N 2 0 338.452 -0.623 20 0 EBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCOCC[NH2+]C)[C@H](C)C1 ZINC000627462530 381898506 /nfs/dbraw/zinc/89/85/06/381898506.db2.gz VXSSCTADHWBBRA-ZIAGYGMSSA-N 2 0 328.457 -0.473 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CCO1 ZINC000643498774 381905414 /nfs/dbraw/zinc/90/54/14/381905414.db2.gz TWIIUUOCZDSWCZ-ZNMIVQPWSA-N 2 0 338.452 -0.352 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000627397747 381930188 /nfs/dbraw/zinc/93/01/88/381930188.db2.gz UZTFPIYCUZDHSF-UHFFFAOYSA-N 2 0 328.457 -0.281 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000643502610 381911333 /nfs/dbraw/zinc/91/13/33/381911333.db2.gz LKXSJLMVGAIILV-AWEZNQCLSA-N 2 0 340.468 -0.105 20 0 EBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000333468135 381923991 /nfs/dbraw/zinc/92/39/91/381923991.db2.gz DASRQGOJKNFXBZ-JKSUJKDBSA-N 2 0 339.484 -0.214 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000626896538 381925295 /nfs/dbraw/zinc/92/52/95/381925295.db2.gz XLGDCWLAGXQYTM-UHFFFAOYSA-N 2 0 332.364 -0.361 20 0 EBADRP CNS(=O)(=O)c1cc(C(=O)NCCN(C)CCC[NH+](C)C)co1 ZINC000617765991 381971365 /nfs/dbraw/zinc/97/13/65/381971365.db2.gz YNCYFHUXTXEROE-UHFFFAOYSA-N 2 0 346.453 -0.199 20 0 EBADRP CN(CCC[NH+](C)C)CCNC(=O)c1coc(S(N)(=O)=O)c1 ZINC000617765659 381971975 /nfs/dbraw/zinc/97/19/75/381971975.db2.gz LCRBHWAIERROFU-UHFFFAOYSA-N 2 0 332.426 -0.460 20 0 EBADRP CC[NH+](CC)CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000352257718 381945526 /nfs/dbraw/zinc/94/55/26/381945526.db2.gz QIOKPWHSRRZIBC-CQSZACIVSA-N 2 0 348.513 -0.165 20 0 EBADRP CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632475625 382007042 /nfs/dbraw/zinc/00/70/42/382007042.db2.gz FNTABHBLLHOKIA-HNNXBMFYSA-N 2 0 332.514 -0.020 20 0 EBADRP C[C@H](O)CN1CCN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@@H]1C ZINC000643512081 381976151 /nfs/dbraw/zinc/97/61/51/381976151.db2.gz IHACYDDWAPJRTG-ZQDZILKHSA-N 2 0 338.452 -0.747 20 0 EBADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000430591325 382021747 /nfs/dbraw/zinc/02/17/47/382021747.db2.gz DZQQNENJJDZBPH-GFCCVEGCSA-N 2 0 336.440 -0.261 20 0 EBADRP CC[NH+]1CCC(NC(=O)CN2CCC[C@@](O)(C[NH+](C)C)C2)CC1 ZINC000639768563 382122529 /nfs/dbraw/zinc/12/25/29/382122529.db2.gz ZTKCTTLEQKDCRZ-QGZVFWFLSA-N 2 0 326.485 -0.025 20 0 EBADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000354051111 382195702 /nfs/dbraw/zinc/19/57/02/382195702.db2.gz CWYGGTVMCVVNLA-HNNXBMFYSA-N 2 0 338.452 -0.456 20 0 EBADRP O[C@@H](CN[C@H]1CC[N@H+](CCN2CCOCC2)C1)C[NH+]1CCCC1 ZINC000629562681 382225116 /nfs/dbraw/zinc/22/51/16/382225116.db2.gz CGLXLRDQTHBSCC-IRXDYDNUSA-N 2 0 326.485 -0.561 20 0 EBADRP O[C@H](CN[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C[NH+]1CCCC1 ZINC000629562679 382225513 /nfs/dbraw/zinc/22/55/13/382225513.db2.gz CGLXLRDQTHBSCC-IAGOWNOFSA-N 2 0 326.485 -0.561 20 0 EBADRP NC(=O)CCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299496027 155158160 /nfs/dbraw/zinc/15/81/60/155158160.db2.gz KTYFRYQNGOELIU-UHFFFAOYSA-N 2 0 334.424 -0.232 20 0 EBADRP CN(C)C(=O)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299521876 155158363 /nfs/dbraw/zinc/15/83/63/155158363.db2.gz QJZSWHSZWYXXFW-UHFFFAOYSA-N 2 0 348.451 -0.019 20 0 EBADRP CN1CCN(C(=O)CC[NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000330619996 155293725 /nfs/dbraw/zinc/29/37/25/155293725.db2.gz ZUGOBONMLPJNCO-KBPBESRZSA-N 2 0 346.497 -0.400 20 0 EBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000331454987 155372371 /nfs/dbraw/zinc/37/23/71/155372371.db2.gz MSJIVGLYINEABZ-KGLIPLIRSA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@@H](O)C[N@@H+]1CCN(c2cc(N3CCN(C)C(=O)C3)ncn2)[C@@H](C)C1 ZINC000192795858 154158745 /nfs/dbraw/zinc/15/87/45/154158745.db2.gz YBZFAGWEORTTPK-UONOGXRCSA-N 2 0 348.451 -0.354 20 0 EBADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000195519453 154166025 /nfs/dbraw/zinc/16/60/25/154166025.db2.gz QSKYKTPNUBBWCA-MRXNPFEDSA-N 2 0 342.484 -0.931 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@]2(C)CCC[NH2+]C2)cn1 ZINC000237170882 154171652 /nfs/dbraw/zinc/17/16/52/154171652.db2.gz CELPZCWFRXTOPF-INIZCTEOSA-N 2 0 336.440 -0.111 20 0 EBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2C[NH2+]CCO2)c1 ZINC000237173383 154172078 /nfs/dbraw/zinc/17/20/78/154172078.db2.gz BSMZGMMHXVMODZ-HNNXBMFYSA-N 2 0 334.420 -0.417 20 0 EBADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[NH2+]CCO1 ZINC000238094310 154177679 /nfs/dbraw/zinc/17/76/79/154177679.db2.gz ORCNKTVHCBLSMW-KRWDZBQOSA-N 2 0 332.448 -0.091 20 0 EBADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[NH2+]CCO1 ZINC000238094509 154177921 /nfs/dbraw/zinc/17/79/21/154177921.db2.gz ORCNKTVHCBLSMW-QGZVFWFLSA-N 2 0 332.448 -0.091 20 0 EBADRP OC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cccc(C[NH+]2C[C@@H](O)C[C@H]2CO)c1 ZINC000248393805 154188629 /nfs/dbraw/zinc/18/86/29/154188629.db2.gz MGSJSULRSZFLFV-USTZCAOPSA-N 2 0 336.432 -0.458 20 0 EBADRP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000261650257 154195924 /nfs/dbraw/zinc/19/59/24/154195924.db2.gz JNNAWRNKLRRCFY-LSDHHAIUSA-N 2 0 338.452 -0.575 20 0 EBADRP CNC(=O)N[C@@H]1CC[NH+](C/C=C\C[N@H+]2CC[C@@H](NC(=O)NC)C2)C1 ZINC000342339764 156028992 /nfs/dbraw/zinc/02/89/92/156028992.db2.gz PUEHGGLDAOBTMZ-JHZNUDOXSA-N 2 0 338.456 -0.451 20 0 EBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000342706042 156053161 /nfs/dbraw/zinc/05/31/61/156053161.db2.gz LKLIHLZXLPZHDB-CQSZACIVSA-N 2 0 327.425 -0.162 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000343635317 156150113 /nfs/dbraw/zinc/15/01/13/156150113.db2.gz HMLVKDOGSJWFNZ-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000343883636 156176908 /nfs/dbraw/zinc/17/69/08/156176908.db2.gz FRHXTBISXHFUEX-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)C1 ZINC000343888829 156178452 /nfs/dbraw/zinc/17/84/52/156178452.db2.gz KVOZNIIZJDGCJL-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343916136 156185955 /nfs/dbraw/zinc/18/59/55/156185955.db2.gz AZCMYAUAAARBKV-FGTMMUONSA-N 2 0 340.512 -0.363 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000343917612 156186173 /nfs/dbraw/zinc/18/61/73/156186173.db2.gz QPUSDIMZNSVXNZ-ILXRZTDVSA-N 2 0 340.468 -0.236 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CN1CCOCC1=O ZINC000344482419 156231178 /nfs/dbraw/zinc/23/11/78/156231178.db2.gz PTSDIIWRXFCTJL-UHFFFAOYSA-N 2 0 328.457 -0.423 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](CCO)CC2)C[C@@H]1[NH+](C)C ZINC000344632164 156249076 /nfs/dbraw/zinc/24/90/76/156249076.db2.gz QURUFSNGDHWNMZ-HIFRSBDPSA-N 2 0 340.468 -0.785 20 0 EBADRP CC[NH+]1CCN(CC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000346160523 156386992 /nfs/dbraw/zinc/38/69/92/156386992.db2.gz WUBSYZPHEJEMOR-MRXNPFEDSA-N 2 0 325.501 -0.376 20 0 EBADRP C[NH+](C)CCN1C[C@H](C(=O)NCCC[NH+]2CCC(O)CC2)CC1=O ZINC000346238588 156391397 /nfs/dbraw/zinc/39/13/97/156391397.db2.gz NXBBBULQOKEFLT-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP Cn1cnn(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1=O ZINC000355572990 157012342 /nfs/dbraw/zinc/01/23/42/157012342.db2.gz FTLRBAHLVUBIND-UHFFFAOYSA-N 2 0 326.445 -0.686 20 0 EBADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CC[C@H]3C[NH2+]C[C@H]3C1)c(=O)n2C ZINC000357093876 157119953 /nfs/dbraw/zinc/11/99/53/157119953.db2.gz ZDWJQHVKXPDIES-STQMWFEESA-N 2 0 346.435 -0.635 20 0 EBADRP CC(C)Nc1nc(N[C@@H](C)C[N@H+](C)C(C)C)nc(NCCO)[nH+]1 ZINC000357588518 157158323 /nfs/dbraw/zinc/15/83/23/157158323.db2.gz ZJGNOSWNUILFRG-LBPRGKRZSA-N 2 0 325.461 -0.498 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000357585461 157158444 /nfs/dbraw/zinc/15/84/44/157158444.db2.gz XTQVKAKGOYNUHB-HUUCEWRRSA-N 2 0 342.484 -0.131 20 0 EBADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000357904739 157184899 /nfs/dbraw/zinc/18/48/99/157184899.db2.gz HHCJYCIEOCEJQW-HUUCEWRRSA-N 2 0 334.420 -0.683 20 0 EBADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@@H](O)C[NH2+]3)cn2)CC1 ZINC000357937455 157189084 /nfs/dbraw/zinc/18/90/84/157189084.db2.gz WRJONXDTRWEQON-HUUCEWRRSA-N 2 0 333.436 -0.438 20 0 EBADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@H](O)C[NH2+]3)cn2)CC1 ZINC000357937456 157190021 /nfs/dbraw/zinc/19/00/21/157190021.db2.gz WRJONXDTRWEQON-LSDHHAIUSA-N 2 0 333.436 -0.438 20 0 EBADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358391883 157240973 /nfs/dbraw/zinc/24/09/73/157240973.db2.gz IWCKHJSMJUSWHL-GOSISDBHSA-N 2 0 348.447 -0.088 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)N(C)[C@@H](C)CN1CCOCC1)C1CC1 ZINC000359263755 157308161 /nfs/dbraw/zinc/30/81/61/157308161.db2.gz OJIXUJDXYVKOKW-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC(N3CC[C@@H](O)C3)C2)C1 ZINC000650582676 419027991 /nfs/dbraw/zinc/02/79/91/419027991.db2.gz CAWJMZWCQBTLLA-CVEARBPZSA-N 2 0 340.468 -0.196 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000653180312 419045765 /nfs/dbraw/zinc/04/57/65/419045765.db2.gz IUUZRDANQCHKGL-AWEZNQCLSA-N 2 0 340.468 -0.377 20 0 EBADRP CC[NH+](CC)CCN(C(=O)[C@@H]1C[NH2+]CCO1)[C@H]1CCS(=O)(=O)C1 ZINC000648149271 418983166 /nfs/dbraw/zinc/98/31/66/418983166.db2.gz FZSPGWNAXQMZPI-KBPBESRZSA-N 2 0 347.481 -0.668 20 0 EBADRP CC[NH+](CC)CCN(C(=O)[C@@H](C[NH3+])OC)[C@@H]1CCS(=O)(=O)C1 ZINC000648149313 418984539 /nfs/dbraw/zinc/98/45/39/418984539.db2.gz MZRIREFYNQSHKB-CHWSQXEVSA-N 2 0 335.470 -0.682 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CCN1CC(C)(C)O ZINC000662941171 419006061 /nfs/dbraw/zinc/00/60/61/419006061.db2.gz OLUICKZJAUNKNL-LBPRGKRZSA-N 2 0 328.457 -0.514 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cn1 ZINC000655448918 419054183 /nfs/dbraw/zinc/05/41/83/419054183.db2.gz ABMPNXOVVXNTDW-YOEHRIQHSA-N 2 0 348.451 -0.111 20 0 EBADRP Cn1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c(=O)n(C)c1=O ZINC000650723498 419066188 /nfs/dbraw/zinc/06/61/88/419066188.db2.gz PGMZSLOFTIJRQV-RBSFLKMASA-N 2 0 336.436 -0.055 20 0 EBADRP C[N@H+](C[C@@H](O)CN[C@@H]1CC[NH+](CCN2CCOCC2)C1)C1CC1 ZINC000644569759 419168787 /nfs/dbraw/zinc/16/87/87/419168787.db2.gz UNWUUZPFORBIBD-WBVHZDCISA-N 2 0 326.485 -0.562 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)NCCCC[N@H+](C)C2CC2)C[C@H]1C[NH3+] ZINC000652672917 419247263 /nfs/dbraw/zinc/24/72/63/419247263.db2.gz ZKRDEZZBBAAELQ-UKRRQHHQSA-N 2 0 340.468 -0.201 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652684355 419253196 /nfs/dbraw/zinc/25/31/96/419253196.db2.gz MEVGXARRNBHVAE-OAHLLOKOSA-N 2 0 340.468 -0.281 20 0 EBADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1=O ZINC000644894054 419261271 /nfs/dbraw/zinc/26/12/71/419261271.db2.gz DNXPIFYOHMBEPK-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H]1C[NH3+] ZINC000652694118 419209595 /nfs/dbraw/zinc/20/95/95/419209595.db2.gz PBAPMPICXADUEY-LXTVHRRPSA-N 2 0 338.452 -0.448 20 0 EBADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000652623306 419241331 /nfs/dbraw/zinc/24/13/31/419241331.db2.gz FWVXGUPSLZBGSC-AAEUAGOBSA-N 2 0 340.403 -0.458 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cn1 ZINC000652624080 419241876 /nfs/dbraw/zinc/24/18/76/419241876.db2.gz ZAJINQQNRXVXJN-OKILXGFUSA-N 2 0 348.451 -0.159 20 0 EBADRP CC[C@H]1CN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000263232191 419299124 /nfs/dbraw/zinc/29/91/24/419299124.db2.gz IMEJGYURTAHPAN-IPYPFGDCSA-N 2 0 328.457 -0.611 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000652729132 419323274 /nfs/dbraw/zinc/32/32/74/419323274.db2.gz SSLKSXMEUSQBNN-UHFFFAOYSA-N 3 0 341.500 -0.474 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CCSC1 ZINC000659462655 419328659 /nfs/dbraw/zinc/32/86/59/419328659.db2.gz DCIVWJISFDTKLF-CQSZACIVSA-N 2 0 340.453 -0.123 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC2)CC1 ZINC000652730874 419329254 /nfs/dbraw/zinc/32/92/54/419329254.db2.gz SQCDUQAURWVXGJ-UHFFFAOYSA-N 2 0 340.468 -0.234 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652730436 419329265 /nfs/dbraw/zinc/32/92/65/419329265.db2.gz ZLQTWMUQDBXFPA-LJISPDSOSA-N 2 0 340.468 -0.250 20 0 EBADRP C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@@H]1CN(C)CCO1 ZINC000152363814 545934851 /nfs/dbraw/zinc/93/48/51/545934851.db2.gz KFQJIHXQTIYOBI-GJZGRUSLSA-N 2 0 329.489 -0.160 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000340799230 419382372 /nfs/dbraw/zinc/38/23/72/419382372.db2.gz NAEJZWONTCZKKR-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000340833066 419384283 /nfs/dbraw/zinc/38/42/83/419384283.db2.gz WMQDSTWVVLXGFM-KKUMJFAQSA-N 2 0 338.452 -0.434 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000647996096 419462856 /nfs/dbraw/zinc/46/28/56/419462856.db2.gz OOOGDWZXJINZIG-PMPSAXMXSA-N 2 0 341.500 -0.424 20 0 EBADRP COc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nn1C ZINC000525882510 419470635 /nfs/dbraw/zinc/47/06/35/419470635.db2.gz CBWQYGMVWSBEEV-UHFFFAOYSA-N 2 0 340.428 -0.681 20 0 EBADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000519654244 419537567 /nfs/dbraw/zinc/53/75/67/419537567.db2.gz UPZGDEQGKPKJQE-ILXRZTDVSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358391896 419673528 /nfs/dbraw/zinc/67/35/28/419673528.db2.gz IWCKHJSMJUSWHL-SFHVURJKSA-N 2 0 348.447 -0.088 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659690360 419701265 /nfs/dbraw/zinc/70/12/65/419701265.db2.gz RWEXRBRGMNNPHW-UHFFFAOYSA-N 2 0 339.484 -0.484 20 0 EBADRP CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000375649813 419740017 /nfs/dbraw/zinc/74/00/17/419740017.db2.gz AVWIBVSEMKZKLP-AWEZNQCLSA-N 2 0 346.497 -0.494 20 0 EBADRP COCCOCCN1CCN(C(=O)[C@H](C)N2CCN(C)CC2)CC1 ZINC000652999533 419778906 /nfs/dbraw/zinc/77/89/06/419778906.db2.gz AMCRZNBFTTYUNN-INIZCTEOSA-N 2 0 342.484 -0.571 20 0 EBADRP C[C@@H]1CC[C@H](C(N)=O)C[NH+]1CC(O)C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000181799860 419780676 /nfs/dbraw/zinc/78/06/76/419780676.db2.gz FYQKXTPEBJJCHD-CAPBHKODSA-N 2 0 340.468 -0.481 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000659736203 419802089 /nfs/dbraw/zinc/80/20/89/419802089.db2.gz LRGAJAVBHYYHTQ-ZFWWWQNUSA-N 2 0 338.452 -0.304 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000659736198 419802742 /nfs/dbraw/zinc/80/27/42/419802742.db2.gz LRGAJAVBHYYHTQ-UKRRQHHQSA-N 2 0 338.452 -0.304 20 0 EBADRP COCC[N@H+](C)C[C@@H](O)CN1CCC([NH+]2CCC[C@@H]2C(N)=O)CC1 ZINC000653588190 419802960 /nfs/dbraw/zinc/80/29/60/419802960.db2.gz JBDWNXPJMGMNDS-HZPDHXFCSA-N 2 0 342.484 -0.660 20 0 EBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000419878546 419814547 /nfs/dbraw/zinc/81/45/47/419814547.db2.gz JKWXWHCKFJFEGU-OAHLLOKOSA-N 2 0 337.468 -0.905 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419931111 419824662 /nfs/dbraw/zinc/82/46/62/419824662.db2.gz CJJZPFBUULTSKH-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP [NH3+]C[C@H](NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)C1CC1 ZINC000420045863 419836449 /nfs/dbraw/zinc/83/64/49/419836449.db2.gz VDTYUQGMNZGYBG-HNNXBMFYSA-N 2 0 338.452 -0.589 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000420050616 419836883 /nfs/dbraw/zinc/83/68/83/419836883.db2.gz ZHCKPCGYENFSBH-AVGNSLFASA-N 2 0 326.441 -0.232 20 0 EBADRP CNC(=O)[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000420975594 419855069 /nfs/dbraw/zinc/85/50/69/419855069.db2.gz OKDRKRDQBPYDPA-HUUCEWRRSA-N 2 0 340.468 -0.473 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC[C@H]1[NH3+] ZINC000423205600 419921924 /nfs/dbraw/zinc/92/19/24/419921924.db2.gz FEEMWHRTDPKLEA-QLFBSQMISA-N 2 0 340.468 -0.249 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C[C@H]1[NH3+] ZINC000423214533 419925788 /nfs/dbraw/zinc/92/57/88/419925788.db2.gz PBSUDXVWRRMMRU-MGPQQGTHSA-N 2 0 326.441 -0.639 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000514717233 419971316 /nfs/dbraw/zinc/97/13/16/419971316.db2.gz NJXJYMFFFVZBQL-HNNXBMFYSA-N 2 0 340.468 -0.280 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000514999827 419975957 /nfs/dbraw/zinc/97/59/57/419975957.db2.gz TXBBBIGKWXQMRH-OAHLLOKOSA-N 2 0 342.484 -0.034 20 0 EBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000516492535 420512694 /nfs/dbraw/zinc/51/26/94/420512694.db2.gz MROWEUNYAWYLLY-CABCVRRESA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1nnnn1CC1CC1 ZINC000516399995 420513434 /nfs/dbraw/zinc/51/34/34/420513434.db2.gz MSSDPLCCIXJKSH-UHFFFAOYSA-N 2 0 338.460 -0.282 20 0 EBADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000659312024 420525299 /nfs/dbraw/zinc/52/52/99/420525299.db2.gz USRZGICAYQLMRV-QWRGUYRKSA-N 2 0 326.363 -0.309 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000167213910 420527877 /nfs/dbraw/zinc/52/78/77/420527877.db2.gz NXUALJUOZZXIOA-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000645951442 420528888 /nfs/dbraw/zinc/52/88/88/420528888.db2.gz IQQSVICXWMXQDT-TZMCWYRMSA-N 2 0 349.439 -0.900 20 0 EBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000646002948 420530913 /nfs/dbraw/zinc/53/09/13/420530913.db2.gz KXTZDQZWRYJFFJ-CABCVRRESA-N 2 0 337.468 -0.907 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000509347476 420676908 /nfs/dbraw/zinc/67/69/08/420676908.db2.gz ZABKJKABXHSNGA-MCIONIFRSA-N 2 0 326.441 -0.448 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1nc(C(N)=O)cs1 ZINC000666719610 420689580 /nfs/dbraw/zinc/68/95/80/420689580.db2.gz LUFVTUKTJZGPFT-UHFFFAOYSA-N 2 0 342.469 -0.123 20 0 EBADRP C[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3COCC[NH2+]3)cn2)CC1 ZINC000529284249 420758921 /nfs/dbraw/zinc/75/89/21/420758921.db2.gz FXDBNDQFWFQMLF-HNNXBMFYSA-N 2 0 348.451 -0.379 20 0 EBADRP C[NH+]1CCC(NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000529285193 420759042 /nfs/dbraw/zinc/75/90/42/420759042.db2.gz TYMFFTNQGKAIMD-UHFFFAOYSA-N 2 0 338.456 -0.567 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000529319251 420762322 /nfs/dbraw/zinc/76/23/22/420762322.db2.gz WHEUVKBVJQFUEP-QLFBSQMISA-N 2 0 326.441 -0.348 20 0 EBADRP O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)NC[C@@H]1COCC[NH2+]1 ZINC000529379501 420765626 /nfs/dbraw/zinc/76/56/26/420765626.db2.gz XPNNQRXHUXICSQ-ZACQAIPSSA-N 2 0 348.447 -0.091 20 0 EBADRP CN1CCO[C@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)C1 ZINC000529751803 420772023 /nfs/dbraw/zinc/77/20/23/420772023.db2.gz JKJJVLHXWQCDIC-XJKSGUPXSA-N 2 0 327.425 -0.951 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000522002031 420714497 /nfs/dbraw/zinc/71/44/97/420714497.db2.gz PCHTYLYYFHMFFM-XQQFMLRXSA-N 2 0 328.457 -0.468 20 0 EBADRP O=C(C[NH2+]C[C@H]1CCCO1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000237923833 420738310 /nfs/dbraw/zinc/73/83/10/420738310.db2.gz ZBAITUZSHJKMPF-OAHLLOKOSA-N 2 0 338.452 -0.478 20 0 EBADRP CC(C)([NH3+])c1noc(CN2CCN(C(=O)N3CC[NH2+]CC3)CC2)n1 ZINC000530228628 420781067 /nfs/dbraw/zinc/78/10/67/420781067.db2.gz XASOIKCMQLAWLX-UHFFFAOYSA-N 2 0 337.428 -0.594 20 0 EBADRP Cn1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(=O)n(C)c1=O ZINC000530248678 420782144 /nfs/dbraw/zinc/78/21/44/420782144.db2.gz OCUPMHWBYAUSOH-HNNXBMFYSA-N 2 0 336.436 -0.326 20 0 EBADRP CC[C@H]1C[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[C@H]1[NH3+] ZINC000649416539 420807699 /nfs/dbraw/zinc/80/76/99/420807699.db2.gz CZMHMWGDTMAYEG-QWHCGFSZSA-N 2 0 348.451 -0.117 20 0 EBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655913623 420859710 /nfs/dbraw/zinc/85/97/10/420859710.db2.gz BQYOJDXZJJYTQO-NXEZZACHSA-N 2 0 339.362 -0.237 20 0 EBADRP [NH3+]CCOc1ccc(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000655955473 420859976 /nfs/dbraw/zinc/85/99/76/420859976.db2.gz BNGCWLQOWUAIIH-UONOGXRCSA-N 2 0 348.403 -0.760 20 0 EBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656023110 420866654 /nfs/dbraw/zinc/86/66/54/420866654.db2.gz VUXLZHSKSMWKSE-MQYQWHSLSA-N 2 0 328.457 -0.300 20 0 EBADRP C[C@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656020704 420866704 /nfs/dbraw/zinc/86/67/04/420866704.db2.gz VNSXDWCVZOMKFZ-MCIONIFRSA-N 2 0 340.468 -0.284 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656025077 420867209 /nfs/dbraw/zinc/86/72/09/420867209.db2.gz XIOQZMHOHMJPOF-RWMBFGLXSA-N 2 0 326.441 -0.402 20 0 EBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656024395 420867526 /nfs/dbraw/zinc/86/75/26/420867526.db2.gz LXZYQXWOULMREY-ZSAUSMIDSA-N 2 0 340.468 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CCN(C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@H]1CC[N@H+](CC)C1 ZINC000658822648 420884222 /nfs/dbraw/zinc/88/42/22/420884222.db2.gz SGVNBTYDBZPMTB-SOUVJXGZSA-N 2 0 338.452 -0.794 20 0 EBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656308817 420887008 /nfs/dbraw/zinc/88/70/08/420887008.db2.gz IHINGOYTCTUUHC-HZSPNIEDSA-N 2 0 326.441 -0.890 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658452083 420923462 /nfs/dbraw/zinc/92/34/62/420923462.db2.gz UDVWAUHDAHOLCQ-HNNXBMFYSA-N 2 0 342.484 -0.034 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC[C@H]1F ZINC000659456024 420999494 /nfs/dbraw/zinc/99/94/94/420999494.db2.gz HAUFHWQUUORWSA-RRFJBIMHSA-N 2 0 343.447 -0.526 20 0 EBADRP [NH3+]CC12CC(C1)CN2C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000659456307 420999971 /nfs/dbraw/zinc/99/99/71/420999971.db2.gz KLRKOLWXUGIRMR-ISXOHVOVSA-N 2 0 337.468 -0.474 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000659680046 421012816 /nfs/dbraw/zinc/01/28/16/421012816.db2.gz SLAUOVGRZISMDZ-LSDHHAIUSA-N 2 0 340.468 -0.322 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000659694475 421014479 /nfs/dbraw/zinc/01/44/79/421014479.db2.gz KZJULRBVNZEQJN-CYBMUJFWSA-N 2 0 333.436 -0.114 20 0 EBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000659688658 421015428 /nfs/dbraw/zinc/01/54/28/421015428.db2.gz FEHOOWMMKAWTLY-CQSZACIVSA-N 2 0 341.500 -0.382 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000659694476 421015716 /nfs/dbraw/zinc/01/57/16/421015716.db2.gz KZJULRBVNZEQJN-ZDUSSCGKSA-N 2 0 333.436 -0.114 20 0 EBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659708537 421017891 /nfs/dbraw/zinc/01/78/91/421017891.db2.gz VKPUGICWHUTBSD-SNVBAGLBSA-N 2 0 338.412 -0.896 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CCO1 ZINC000659714075 421020099 /nfs/dbraw/zinc/02/00/99/421020099.db2.gz UTYUEMBLCBVYAZ-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659719558 421020779 /nfs/dbraw/zinc/02/07/79/421020779.db2.gz WNBHTNOVMTWIJI-CABCVRRESA-N 2 0 340.468 -0.155 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659725352 421022774 /nfs/dbraw/zinc/02/27/74/421022774.db2.gz ZSAYKFMLJDXINN-VHDGCEQUSA-N 2 0 338.452 -0.530 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659731982 421024800 /nfs/dbraw/zinc/02/48/00/421024800.db2.gz HTOLEDXRXNELKV-AWEZNQCLSA-N 2 0 340.468 -0.057 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCC2([NH3+])CCCC2)C[C@@H](C)O1 ZINC000659732372 421025058 /nfs/dbraw/zinc/02/50/58/421025058.db2.gz MQGRGBRESYETKN-ZIAGYGMSSA-N 2 0 340.468 -0.010 20 0 EBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000662404354 421086340 /nfs/dbraw/zinc/08/63/40/421086340.db2.gz GOCQVWUPZMRVNZ-GXFFZTMASA-N 2 0 336.358 -0.158 20 0 EBADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000662463322 421087919 /nfs/dbraw/zinc/08/79/19/421087919.db2.gz USORZPKWCUPPDR-CABCVRRESA-N 2 0 328.457 -0.739 20 0 EBADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000662905272 421107546 /nfs/dbraw/zinc/10/75/46/421107546.db2.gz AYZLBRKWDHVTDQ-KBPBESRZSA-N 2 0 333.440 -0.850 20 0 EBADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662907954 421108041 /nfs/dbraw/zinc/10/80/41/421108041.db2.gz RJYWYRCUPUHTSM-CABCVRRESA-N 2 0 347.467 -0.288 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662929445 421111392 /nfs/dbraw/zinc/11/13/92/421111392.db2.gz APPJCEYOMCWKSS-OAHLLOKOSA-N 3 0 339.484 -0.580 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000662945328 421115072 /nfs/dbraw/zinc/11/50/72/421115072.db2.gz NDEPUVHQYASHBF-AWEZNQCLSA-N 2 0 340.468 -0.247 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C[C@H]1[NH3+] ZINC000662959170 421117804 /nfs/dbraw/zinc/11/78/04/421117804.db2.gz ZZNQHWSQOAODJJ-HZSPNIEDSA-N 2 0 326.441 -0.639 20 0 EBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCN(C)CCC[NH+](C)C ZINC000664026597 421145569 /nfs/dbraw/zinc/14/55/69/421145569.db2.gz WWBRJOCATOLPSH-INIZCTEOSA-N 3 0 342.532 -0.195 20 0 EBADRP C[NH+](C)[C@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C[C@@H]1O ZINC000664473637 421157892 /nfs/dbraw/zinc/15/78/92/421157892.db2.gz TZYWQXPVSCTTAI-VGWMRTNUSA-N 2 0 340.468 -0.320 20 0 EBADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CCOC2(C[NH2+]C2)C1 ZINC000664723522 421161808 /nfs/dbraw/zinc/16/18/08/421161808.db2.gz AKYBVFBJTOXPHJ-UHFFFAOYSA-N 2 0 345.447 -0.206 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC(C)(C)C[NH+](C)C)n1 ZINC000355423869 421192477 /nfs/dbraw/zinc/19/24/77/421192477.db2.gz MPOPETSTELIDIX-UHFFFAOYSA-N 2 0 338.456 0.087 20 0 EBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417885224 264819088 /nfs/dbraw/zinc/81/90/88/264819088.db2.gz YAOIXASPUVOWDK-NFAWXSAZSA-N 2 0 337.468 -0.034 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000418589377 264830824 /nfs/dbraw/zinc/83/08/24/264830824.db2.gz AMMBJBYYQQGGQU-ZIAGYGMSSA-N 2 0 325.457 -0.068 20 0 EBADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000419037498 264846895 /nfs/dbraw/zinc/84/68/95/264846895.db2.gz CYJKJAARKBBXIB-CQSZACIVSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000419401298 264865239 /nfs/dbraw/zinc/86/52/39/264865239.db2.gz APBHHIXKQXPQOJ-ZIAGYGMSSA-N 2 0 328.457 -0.750 20 0 EBADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419900740 264903427 /nfs/dbraw/zinc/90/34/27/264903427.db2.gz STDCWGNRYVTYGN-KBPBESRZSA-N 2 0 328.457 -0.153 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)CCN1C1CC[NH+](C)CC1 ZINC000423372396 265000949 /nfs/dbraw/zinc/00/09/49/265000949.db2.gz GFGKGBVSHIHZRI-CQSZACIVSA-N 2 0 337.468 -0.955 20 0 EBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423517611 265008903 /nfs/dbraw/zinc/00/89/03/265008903.db2.gz YHJKCXWLXDIOIT-OAHLLOKOSA-N 2 0 337.468 -0.955 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000423605253 265017856 /nfs/dbraw/zinc/01/78/56/265017856.db2.gz GWXPURUYEAISTK-UHFFFAOYSA-N 2 0 347.419 -0.439 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)[C@@H](C)C[NH2+]1 ZINC000423633572 265024976 /nfs/dbraw/zinc/02/49/76/265024976.db2.gz PHWQJTKHXIFKOF-KGLIPLIRSA-N 2 0 340.468 -0.236 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)[C@@H](C)C[NH2+]1 ZINC000423633570 265025048 /nfs/dbraw/zinc/02/50/48/265025048.db2.gz PHWQJTKHXIFKOF-KBPBESRZSA-N 2 0 340.468 -0.236 20 0 EBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000423656846 265028628 /nfs/dbraw/zinc/02/86/28/265028628.db2.gz XSHRWQIRJXNRHR-CQSZACIVSA-N 2 0 327.473 -0.722 20 0 EBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])C1 ZINC000423680759 265031362 /nfs/dbraw/zinc/03/13/62/265031362.db2.gz UUNLMYMKFPEZQG-RBSFLKMASA-N 2 0 340.468 -0.106 20 0 EBADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000424458618 265062686 /nfs/dbraw/zinc/06/26/86/265062686.db2.gz UKGCGNTYMFFWJL-UHFFFAOYSA-N 2 0 334.420 -0.035 20 0 EBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424553045 265076840 /nfs/dbraw/zinc/07/68/40/265076840.db2.gz QVAKSBLNHANJRP-FPMFFAJLSA-N 2 0 336.440 -0.870 20 0 EBADRP CCS(=O)(=O)NCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430604196 265149659 /nfs/dbraw/zinc/14/96/59/265149659.db2.gz PMWDIRTZLUVHTK-ZDUSSCGKSA-N 2 0 332.470 -0.931 20 0 EBADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NC1CCOCC1 ZINC000430643369 265151929 /nfs/dbraw/zinc/15/19/29/265151929.db2.gz QWPQLHQQCJANSY-AWEZNQCLSA-N 2 0 338.452 -0.575 20 0 EBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000430714148 265152536 /nfs/dbraw/zinc/15/25/36/265152536.db2.gz MUVROYUYIYSBEU-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH2+]C[C@H]1CC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000430950509 265157088 /nfs/dbraw/zinc/15/70/88/265157088.db2.gz IBPDAQZXSAMTCI-GFCCVEGCSA-N 2 0 334.424 -0.635 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000430963234 265157955 /nfs/dbraw/zinc/15/79/55/265157955.db2.gz SXMJWIXSPRHMPG-QWHCGFSZSA-N 2 0 348.451 -0.117 20 0 EBADRP COCCN(CC(=O)N(C)C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433140598 265186147 /nfs/dbraw/zinc/18/61/47/265186147.db2.gz IMOSDDHPZAYKFS-UHFFFAOYSA-N 2 0 328.457 -0.247 20 0 EBADRP CN1CCN(C(=O)CCNC(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433155322 265186257 /nfs/dbraw/zinc/18/62/57/265186257.db2.gz DJPLKEBKRPDTCZ-UHFFFAOYSA-N 2 0 339.484 -0.530 20 0 EBADRP CC[C@H](CO)[NH+]1CCN(C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000441515644 265308291 /nfs/dbraw/zinc/30/82/91/265308291.db2.gz NBVJOAUZWKVMDX-TWMKSMIVSA-N 2 0 329.485 -0.155 20 0 EBADRP O=C(NC[C@H]1C[NH2+]CCO1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529341677 265702131 /nfs/dbraw/zinc/70/21/31/265702131.db2.gz KCJOLEPGTTUOMB-LSDHHAIUSA-N 2 0 326.441 -0.225 20 0 EBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000420031328 272818256 /nfs/dbraw/zinc/81/82/56/272818256.db2.gz RRIBFJRNMTUREJ-KKUMJFAQSA-N 2 0 339.484 -0.533 20 0 EBADRP O=C(C[NH2+]C[C@H]1CCCO1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000516866268 272888817 /nfs/dbraw/zinc/88/88/17/272888817.db2.gz JRTYYQNWIBROFH-HUUCEWRRSA-N 2 0 338.452 -0.575 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000347019898 277226375 /nfs/dbraw/zinc/22/63/75/277226375.db2.gz UJYKTRIEPAHTJS-KGLIPLIRSA-N 2 0 341.456 -0.654 20 0 EBADRP CC(C)[C@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)N1CC[NH+](C)CC1 ZINC000339998899 280239119 /nfs/dbraw/zinc/23/91/19/280239119.db2.gz HVSVRVSPWGDSOD-HNNXBMFYSA-N 2 0 341.500 -0.605 20 0 EBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000331783248 288315332 /nfs/dbraw/zinc/31/53/32/288315332.db2.gz IGFQTSSTSPNBGC-CABCVRRESA-N 2 0 338.452 -0.623 20 0 EBADRP C[C@H](C(=O)N(C)C)S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000331316920 297967065 /nfs/dbraw/zinc/96/70/65/297967065.db2.gz AKSCSPYAHWCQNE-CYBMUJFWSA-N 2 0 348.513 -0.249 20 0 EBADRP C[C@H]1CN(C(=O)NC[C@H]2C[NH+](C)CCN2C)CC[N@@H+]1CC(C)(C)O ZINC000333256878 300146696 /nfs/dbraw/zinc/14/66/96/300146696.db2.gz LJZXUSQGMCKQDC-GJZGRUSLSA-N 2 0 341.500 -0.281 20 0 EBADRP O=C(C[C@]1(C(=O)N[C@H]2CCC[NH2+]C2)CC[NH2+]C1)N[C@H]1CCC[NH2+]C1 ZINC000372222094 303653472 /nfs/dbraw/zinc/65/34/72/303653472.db2.gz QMWZQRVZUDCXTF-GRDNDAEWSA-N 3 0 337.468 -0.907 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cc1nnn(C(C)(C)C)n1 ZINC000668302268 545655432 /nfs/dbraw/zinc/65/54/32/545655432.db2.gz CMXKRPRBXHNZKW-UHFFFAOYSA-N 2 0 325.461 -0.078 20 0 EBADRP CC[NH+](CC)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668329539 545660176 /nfs/dbraw/zinc/66/01/76/545660176.db2.gz ZSYXISHPECEVPI-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668328992 545660513 /nfs/dbraw/zinc/66/05/13/545660513.db2.gz LTHVOUUWHJEURZ-HNNXBMFYSA-N 2 0 340.468 -0.498 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000672003471 545721397 /nfs/dbraw/zinc/72/13/97/545721397.db2.gz JKMPZZTWMABWQP-CYBMUJFWSA-N 2 0 328.457 -0.473 20 0 EBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668672403 545733577 /nfs/dbraw/zinc/73/35/77/545733577.db2.gz PHITVWIKOMRZCF-UKRRQHHQSA-N 2 0 340.468 -0.188 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000126992785 545739629 /nfs/dbraw/zinc/73/96/29/545739629.db2.gz HXBBUZSTUWYSTH-AWEZNQCLSA-N 2 0 336.440 -0.016 20 0 EBADRP CCN(C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C)[C@H]1CC[N@H+](CC)C1 ZINC000668891700 545783327 /nfs/dbraw/zinc/78/33/27/545783327.db2.gz CHNPCPXOSYCLLT-GJZGRUSLSA-N 2 0 339.484 -0.709 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C[C@H]1C[NH3+] ZINC000652685490 545830859 /nfs/dbraw/zinc/83/08/59/545830859.db2.gz MQAYWKRWKUFJIK-BFHYXJOUSA-N 2 0 342.484 -0.099 20 0 EBADRP C[C@H](O)C[N@@H+]1CCN(C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000337395449 545896353 /nfs/dbraw/zinc/89/63/53/545896353.db2.gz FQQUXUZPVJYALA-SMLCLMEVSA-N 2 0 329.485 -0.157 20 0 EBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000342983258 545921170 /nfs/dbraw/zinc/92/11/70/545921170.db2.gz APIGQLXEKFQWFX-ZIAGYGMSSA-N 2 0 327.473 -0.805 20 0 EBADRP C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H]1CN(C)CCO1 ZINC000152363981 545934885 /nfs/dbraw/zinc/93/48/85/545934885.db2.gz KFQJIHXQTIYOBI-LSDHHAIUSA-N 2 0 329.489 -0.160 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCC[NH+](C)C1 ZINC000672165303 545962327 /nfs/dbraw/zinc/96/23/27/545962327.db2.gz ALOVITADSOUXJK-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000671375232 545990128 /nfs/dbraw/zinc/99/01/28/545990128.db2.gz DVWIINGOIXMLGC-AWEZNQCLSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)cn1 ZINC000676095939 546194866 /nfs/dbraw/zinc/19/48/66/546194866.db2.gz XPWCPKSORFVPPB-CYBMUJFWSA-N 2 0 336.440 -0.207 20 0 EBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@H](NC(N)=O)C3)C2)CC1 ZINC000677831515 546236628 /nfs/dbraw/zinc/23/66/28/546236628.db2.gz ZWCRVBGSDOJEMT-STQMWFEESA-N 2 0 338.456 -0.393 20 0 EBADRP C[NH+](C)CCOCCNC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000682613539 546337093 /nfs/dbraw/zinc/33/70/93/546337093.db2.gz JVUZRFMZJNLLCB-GJZGRUSLSA-N 2 0 328.457 -0.195 20 0 EBADRP CN1C(=O)CN(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1=O ZINC000625540613 582545755 /nfs/dbraw/zinc/54/57/55/582545755.db2.gz NPSRCRFPEUZHKB-UHFFFAOYSA-N 2 0 341.456 -0.388 20 0 EBADRP [NH3+]C[C@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000891565693 582558296 /nfs/dbraw/zinc/55/82/96/582558296.db2.gz RMWLMRNGBUXNJJ-JKSUJKDBSA-N 2 0 339.484 -0.084 20 0 EBADRP CC(C)([NH3+])CCNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000891568370 582558397 /nfs/dbraw/zinc/55/83/97/582558397.db2.gz ZVFCPYUKAUCQFB-CQSZACIVSA-N 2 0 327.473 -0.181 20 0 EBADRP CC(C)([NH3+])CCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000891568368 582558592 /nfs/dbraw/zinc/55/85/92/582558592.db2.gz ZVFCPYUKAUCQFB-AWEZNQCLSA-N 2 0 327.473 -0.181 20 0 EBADRP O=C(N[C@@H]1CCC[NH2+]C1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892015894 582565886 /nfs/dbraw/zinc/56/58/86/582565886.db2.gz DBOOEDLCPBQLHM-CVEARBPZSA-N 2 0 339.484 -0.166 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892017917 582565971 /nfs/dbraw/zinc/56/59/71/582565971.db2.gz HESCULVCIZSOBA-LOWDOPEQSA-N 2 0 325.413 -0.454 20 0 EBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000892088162 582567179 /nfs/dbraw/zinc/56/71/79/582567179.db2.gz JYWGZAKMJHVXNA-ITGHMWBKSA-N 2 0 337.424 -0.167 20 0 EBADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892109274 582567502 /nfs/dbraw/zinc/56/75/02/582567502.db2.gz ZXMWYHFGBQKHRN-GRYCIOLGSA-N 2 0 335.374 -0.032 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCO2)C[C@H]1C[NH+](C)C ZINC000892179498 582569057 /nfs/dbraw/zinc/56/90/57/582569057.db2.gz JGXKFOZYXVNGGR-KFWWJZLASA-N 3 0 327.473 -0.644 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892198747 582569203 /nfs/dbraw/zinc/56/92/03/582569203.db2.gz FOSBCEPNXHBJDC-CLPYTZEMSA-N 2 0 325.413 -0.311 20 0 EBADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)NCC[N@H+](C)CCO)cc1 ZINC000892217862 582571321 /nfs/dbraw/zinc/57/13/21/582571321.db2.gz FRRUVCNLHHPTJS-UHFFFAOYSA-N 2 0 336.436 -0.231 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892279747 582573047 /nfs/dbraw/zinc/57/30/47/582573047.db2.gz BFTKRGYWTHWNCS-ITGHMWBKSA-N 2 0 337.424 -0.297 20 0 EBADRP [NH3+]CC12CCC(CC1)N2C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892454431 582580271 /nfs/dbraw/zinc/58/02/71/582580271.db2.gz SUFITUPJKDIJHT-QGJIUJSSSA-N 2 0 349.435 -0.071 20 0 EBADRP C[N@@H+]1CC[C@](O)(CNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892765844 582587146 /nfs/dbraw/zinc/58/71/46/582587146.db2.gz HFSPETHKVYOVDS-CJNGLKHVSA-N 2 0 326.441 -0.489 20 0 EBADRP CN1CCN(C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)CC[N@H+](C)CC1 ZINC000892819877 582588053 /nfs/dbraw/zinc/58/80/53/582588053.db2.gz TUGFXBKAIPMUGO-CVEARBPZSA-N 2 0 339.484 -0.262 20 0 EBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000896088701 582657628 /nfs/dbraw/zinc/65/76/28/582657628.db2.gz PXLOKAQZTQFNCM-HIFRSBDPSA-N 2 0 338.452 -0.589 20 0 EBADRP C[NH+](C)CCNC(=S)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000728450958 582673584 /nfs/dbraw/zinc/67/35/84/582673584.db2.gz KTAGKMOBYFNUMS-UHFFFAOYSA-N 2 0 327.498 -0.338 20 0 EBADRP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000900065298 582760914 /nfs/dbraw/zinc/76/09/14/582760914.db2.gz FGASDRQMBVNVLX-MAUKXSAKSA-N 2 0 347.463 -0.095 20 0 EBADRP C[N@@H+]1CCC[C@](O)(CC(=O)NCCCN2CCC[NH+](C)CC2)C1 ZINC000900700968 582779085 /nfs/dbraw/zinc/77/90/85/582779085.db2.gz UAPPKCUOSREGKR-KRWDZBQOSA-N 2 0 326.485 -0.023 20 0 EBADRP C[C@H](CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1)C[NH+]1CCN(C)CC1 ZINC000900693412 582779482 /nfs/dbraw/zinc/77/94/82/582779482.db2.gz RPWHABJRXOJIMQ-WBVHZDCISA-N 2 0 326.485 -0.167 20 0 EBADRP C[C@@H]1C[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1CC[NH3+] ZINC000903496799 582809687 /nfs/dbraw/zinc/80/96/87/582809687.db2.gz FCRQZAREKNPVOF-VXGBXAGGSA-N 2 0 334.424 -0.650 20 0 EBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903544733 582810687 /nfs/dbraw/zinc/81/06/87/582810687.db2.gz XDLVPPMMNGGJLZ-CHWSQXEVSA-N 2 0 333.454 -0.947 20 0 EBADRP O=C(CN1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)N1CCCC1 ZINC000903733164 582814702 /nfs/dbraw/zinc/81/47/02/582814702.db2.gz KPWRBTNQUCVMQH-SJLPKXTDSA-N 2 0 336.480 -0.005 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H]1CC[NH3+] ZINC000903737518 582816004 /nfs/dbraw/zinc/81/60/04/582816004.db2.gz OMOOWCPMBBMWRD-HUUCEWRRSA-N 3 0 341.500 -0.619 20 0 EBADRP COCCOCCOCC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000903779264 582820258 /nfs/dbraw/zinc/82/02/58/582820258.db2.gz XOIYINFLCLVVJS-ZNMIVQPWSA-N 2 0 343.424 -0.467 20 0 EBADRP COC[C@H]1C[NH2+]CCN1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000903875566 582822590 /nfs/dbraw/zinc/82/25/90/582822590.db2.gz FOGKXGSHSMDKEL-CVEARBPZSA-N 2 0 342.484 -0.620 20 0 EBADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000838301519 583053643 /nfs/dbraw/zinc/05/36/43/583053643.db2.gz FCRAQDKWBBFHNP-ARFHVFGLSA-N 2 0 340.468 -0.004 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)C1 ZINC000793707763 583568973 /nfs/dbraw/zinc/56/89/73/583568973.db2.gz KCNLTSIHGCYXEJ-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CC[C@@]2(CCN(CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C2)C1 ZINC000793764341 583570106 /nfs/dbraw/zinc/57/01/06/583570106.db2.gz GVADMBBDCJFFKP-MRXNPFEDSA-N 2 0 335.452 -0.012 20 0 EBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000803203242 583628171 /nfs/dbraw/zinc/62/81/71/583628171.db2.gz BWLCNVADSWDGTL-HZSPNIEDSA-N 2 0 326.441 -0.578 20 0 EBADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804031474 583636052 /nfs/dbraw/zinc/63/60/52/583636052.db2.gz HBHNJFCTIRANQH-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804051657 583637052 /nfs/dbraw/zinc/63/70/52/583637052.db2.gz ASLZOAILRSKUBC-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804059233 583640896 /nfs/dbraw/zinc/64/08/96/583640896.db2.gz IFMIRZRNABDKMV-HUUCEWRRSA-N 2 0 338.452 -0.480 20 0 EBADRP COC(CNC(=O)C[NH+]1CCCC1)CNC(=O)C[NH+]1CCCC1 ZINC000821843191 583804902 /nfs/dbraw/zinc/80/49/02/583804902.db2.gz KISIDXWYEQOGBV-UHFFFAOYSA-N 2 0 326.441 -0.575 20 0 EBADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)C[NH+]2CCCC2)CC1=O ZINC000822973272 583822343 /nfs/dbraw/zinc/82/23/43/583822343.db2.gz IZSSZWDHAQJHBG-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000827936265 583929608 /nfs/dbraw/zinc/92/96/08/583929608.db2.gz IDJQGKZQWRQVKO-HZSPNIEDSA-N 2 0 334.424 -0.204 20 0 EBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000842163910 584058544 /nfs/dbraw/zinc/05/85/44/584058544.db2.gz ASVYMTSIBUYBFU-RRFJBIMHSA-N 2 0 340.468 -0.202 20 0 EBADRP CCCN(C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1CC[NH2+]C1 ZINC000842165365 584058852 /nfs/dbraw/zinc/05/88/52/584058852.db2.gz VHRSCBZLOFXWMT-QLFBSQMISA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000842176234 584059759 /nfs/dbraw/zinc/05/97/59/584059759.db2.gz LFZVIPBBXUYYIP-LVQVYYBASA-N 2 0 340.468 -0.054 20 0 EBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844181646 584090028 /nfs/dbraw/zinc/09/00/28/584090028.db2.gz GAUAYHSSXYOCSM-UONOGXRCSA-N 2 0 326.441 -0.541 20 0 EBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844184419 584090698 /nfs/dbraw/zinc/09/06/98/584090698.db2.gz MQKIZUKKIRDLJX-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cn1 ZINC000846322366 584124654 /nfs/dbraw/zinc/12/46/54/584124654.db2.gz VBAHJBVFEBTERR-KRWDZBQOSA-N 2 0 348.451 -0.015 20 0 EBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000848935446 584164142 /nfs/dbraw/zinc/16/41/42/584164142.db2.gz NCTRCRWBDLMJRM-APIJFGDWSA-N 2 0 338.452 -0.747 20 0 EBADRP [NH2+]=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCN(c2ncccn2)CC1 ZINC000849073802 584165826 /nfs/dbraw/zinc/16/58/26/584165826.db2.gz DXOZPZHDFNZGLL-LSDHHAIUSA-N 2 0 345.451 -0.014 20 0 EBADRP CC[N@H+](CCO)CCNC(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849577274 584172106 /nfs/dbraw/zinc/17/21/06/584172106.db2.gz HBGQDXURVAQBIU-HOTGVXAUSA-N 2 0 337.468 -0.114 20 0 EBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C2=NO[C@@H](C[NH3+])C2)c1 ZINC000852864066 584217891 /nfs/dbraw/zinc/21/78/91/584217891.db2.gz WAOJSIZBXCSNPJ-CQSZACIVSA-N 2 0 347.419 -0.302 20 0 EBADRP C[Si](C)(CC[NH+]1C[C@H](CO)[C@H](O)C1)CC[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC000859329536 584300247 /nfs/dbraw/zinc/30/02/47/584300247.db2.gz SAOVXVPNCDSDES-GEEKYZPCSA-N 2 0 346.544 -0.735 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)[NH+]1CCCCC1 ZINC000861729074 584335621 /nfs/dbraw/zinc/33/56/21/584335621.db2.gz OMXFKFNNGIEJSK-ZDUSSCGKSA-N 2 0 326.441 -0.399 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000861737113 584336141 /nfs/dbraw/zinc/33/61/41/584336141.db2.gz TWHOIEYKHSULAY-QEJZJMRPSA-N 2 0 340.468 -0.324 20 0 EBADRP C[NH+]1CCC[C@@H]1CNC(=O)CC(O)CC(=O)NC[C@H]1CCC[N@H+]1C ZINC000862725959 584356472 /nfs/dbraw/zinc/35/64/72/584356472.db2.gz HRWFWLDCXHMXSE-ZIAGYGMSSA-N 2 0 340.468 -0.452 20 0 EBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000863770034 584378004 /nfs/dbraw/zinc/37/80/04/584378004.db2.gz GYKAOWPUDSVJRR-CYBMUJFWSA-N 2 0 326.441 -0.495 20 0 EBADRP CN(C)C(=O)CNC(=S)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000865245855 584393595 /nfs/dbraw/zinc/39/35/95/584393595.db2.gz RRSNCFSUBYTKTC-CHWSQXEVSA-N 2 0 329.514 -0.380 20 0 EBADRP CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708454 584403740 /nfs/dbraw/zinc/40/37/40/584403740.db2.gz FMLAJVINSLPXCV-XQQFMLRXSA-N 2 0 346.453 -0.865 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867442568 584408013 /nfs/dbraw/zinc/40/80/13/584408013.db2.gz IUXYLSPJRINMSZ-LSDHHAIUSA-N 2 0 340.468 -0.424 20 0 EBADRP CCN(CCCO)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867525187 584410082 /nfs/dbraw/zinc/41/00/82/584410082.db2.gz XLBNFYBQRZTAGT-HUUCEWRRSA-N 2 0 342.484 -0.585 20 0 EBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871004343 584451143 /nfs/dbraw/zinc/45/11/43/584451143.db2.gz KEAJMUFNDHMYAS-FQUUOJAGSA-N 2 0 338.408 -0.852 20 0 EBADRP [NH3+]C[C@@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C[C@H]1C(F)(F)F ZINC000871812814 584457590 /nfs/dbraw/zinc/45/75/90/584457590.db2.gz KYFAMANKZWCPEK-OPRDCNLKSA-N 2 0 331.360 -0.626 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC000871816142 584457852 /nfs/dbraw/zinc/45/78/52/584457852.db2.gz BEHTYKRGBMFROY-LSDHHAIUSA-N 2 0 330.498 -0.172 20 0 EBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000872302517 584461628 /nfs/dbraw/zinc/46/16/28/584461628.db2.gz BXWVQPJWBDPIOL-DJUFWWRVSA-N 2 0 338.408 -0.853 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C(C)(C)O)C1 ZINC000872855199 584468216 /nfs/dbraw/zinc/46/82/16/584468216.db2.gz JPCDGSJIUIMAQK-AWEZNQCLSA-N 2 0 342.484 -0.442 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC000875182275 584492717 /nfs/dbraw/zinc/49/27/17/584492717.db2.gz JPZVZMKMWGWUOT-SOUVJXGZSA-N 2 0 338.452 -0.624 20 0 EBADRP O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000876511783 584517606 /nfs/dbraw/zinc/51/76/06/584517606.db2.gz ALDPRXFAEZTENZ-MGPQQGTHSA-N 2 0 326.416 -0.396 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876752778 584522050 /nfs/dbraw/zinc/52/20/50/584522050.db2.gz YNBLSYNUPYJGEL-UKRRQHHQSA-N 2 0 328.432 -0.053 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876752776 584522085 /nfs/dbraw/zinc/52/20/85/584522085.db2.gz YNBLSYNUPYJGEL-DZGCQCFKSA-N 2 0 328.432 -0.053 20 0 EBADRP COC[C@]1(C(=O)N2CC[NH+](C3CCOCC3)CC2)C[NH2+]CCO1 ZINC000876771784 584523125 /nfs/dbraw/zinc/52/31/25/584523125.db2.gz YROPTQFJPACZRB-INIZCTEOSA-N 2 0 327.425 -0.685 20 0 EBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@]2(COC)C[NH2+]CCO2)CC1 ZINC000876780700 584523576 /nfs/dbraw/zinc/52/35/76/584523576.db2.gz IUXHVBWDBZBKFM-GOEBONIOSA-N 2 0 328.457 -0.866 20 0 EBADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@]2(COC)C[NH2+]CCO2)CC1 ZINC000876780699 584523589 /nfs/dbraw/zinc/52/35/89/584523589.db2.gz IUXHVBWDBZBKFM-GDBMZVCRSA-N 2 0 328.457 -0.866 20 0 EBADRP COCCC1(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC000877267829 584531098 /nfs/dbraw/zinc/53/10/98/584531098.db2.gz GROVOWVPKGICFC-ZDUSSCGKSA-N 2 0 326.441 -0.480 20 0 EBADRP OC[C@H]1C[N@H+](C[C@H](C[NH+]2C[C@@H](O)[C@H](CO)C2)C2CCCC2)C[C@@H]1O ZINC000878702590 584543839 /nfs/dbraw/zinc/54/38/39/584543839.db2.gz ICSLNYMOOLSNJY-AJNQNCSDSA-N 2 0 342.480 -0.637 20 0 EBADRP CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000883421482 584600879 /nfs/dbraw/zinc/60/08/79/584600879.db2.gz NEWBRPPPHZRZED-JKSUJKDBSA-N 2 0 339.484 -0.214 20 0 EBADRP CC[N@@H+]1CC[C@H]1CNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000883433539 584601391 /nfs/dbraw/zinc/60/13/91/584601391.db2.gz SRBDVNOBRCLXQQ-KGLIPLIRSA-N 2 0 325.457 -0.033 20 0 EBADRP CC[N@@H+]1CC[C@H]1CNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000883433538 584601439 /nfs/dbraw/zinc/60/14/39/584601439.db2.gz SRBDVNOBRCLXQQ-KBPBESRZSA-N 2 0 325.457 -0.033 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCN1c1cc[nH+]cc1 ZINC000883641347 584604013 /nfs/dbraw/zinc/60/40/13/584604013.db2.gz MQFYVOZBKLNWEC-FMKPAKJESA-N 2 0 343.431 -0.061 20 0 EBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1CCN(C[C@H](C)O)CC1 ZINC000883645811 584604416 /nfs/dbraw/zinc/60/44/16/584604416.db2.gz XCZPTVOITCJBHZ-UONOGXRCSA-N 2 0 326.441 -0.888 20 0 EBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000884507946 584625019 /nfs/dbraw/zinc/62/50/19/584625019.db2.gz QFTGOZULBKKSSW-STQMWFEESA-N 2 0 325.457 -0.923 20 0 EBADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884517805 584625564 /nfs/dbraw/zinc/62/55/64/584625564.db2.gz WYGPYGNYOSOONI-HOTGVXAUSA-N 2 0 343.431 -0.265 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000884517460 584625579 /nfs/dbraw/zinc/62/55/79/584625579.db2.gz OHOANJYRSRBLPM-UHFFFAOYSA-N 2 0 327.473 -0.628 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884562551 584627575 /nfs/dbraw/zinc/62/75/75/584627575.db2.gz DGUFEUCMEBWPNX-CYBMUJFWSA-N 2 0 328.457 -0.425 20 0 EBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000884560145 584627717 /nfs/dbraw/zinc/62/77/17/584627717.db2.gz OILIPVQMGOISRT-KFWWJZLASA-N 2 0 338.452 -0.434 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884587197 584628919 /nfs/dbraw/zinc/62/89/19/584628919.db2.gz CHOUZJBLHJMOCI-QDMKHBRRSA-N 2 0 340.468 -0.282 20 0 EBADRP CCN(C(=O)C(=O)NCCCC[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000884598022 584629015 /nfs/dbraw/zinc/62/90/15/584629015.db2.gz QYDKGCWXRQHWDM-AWEZNQCLSA-N 2 0 326.441 -0.575 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884603954 584629215 /nfs/dbraw/zinc/62/92/15/584629215.db2.gz WCUNPPVCTSXOAD-RBSFLKMASA-N 2 0 338.452 -0.434 20 0 EBADRP CCC1([NH3+])CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000884643108 584631179 /nfs/dbraw/zinc/63/11/79/584631179.db2.gz XIGIPSMEDGTCLX-ZDUSSCGKSA-N 2 0 326.441 -0.447 20 0 EBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000884656616 584632239 /nfs/dbraw/zinc/63/22/39/584632239.db2.gz NJQSIBPSEZGIQB-STQMWFEESA-N 2 0 340.468 -0.060 20 0 EBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000884656519 584632372 /nfs/dbraw/zinc/63/23/72/584632372.db2.gz KJVABQSJYBQPCD-CYBMUJFWSA-N 2 0 340.468 -0.058 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])C[NH+]1CCN(C)CC1 ZINC000884670372 584632531 /nfs/dbraw/zinc/63/25/31/584632531.db2.gz XMHTUPILRWYXED-LSDHHAIUSA-N 2 0 339.484 -0.674 20 0 EBADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000884675250 584632860 /nfs/dbraw/zinc/63/28/60/584632860.db2.gz XCKGDMNYLDWMJK-ZIAGYGMSSA-N 2 0 331.420 -0.013 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CCN1c1cc[nH+]cc1 ZINC000884674578 584632936 /nfs/dbraw/zinc/63/29/36/584632936.db2.gz ZTAJHDNMNGPYGZ-KBPBESRZSA-N 2 0 331.420 -0.013 20 0 EBADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000884675249 584633027 /nfs/dbraw/zinc/63/30/27/584633027.db2.gz XCKGDMNYLDWMJK-UONOGXRCSA-N 2 0 331.420 -0.013 20 0 EBADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NCC[NH2+]CCOC)CC1 ZINC000884721785 584635894 /nfs/dbraw/zinc/63/58/94/584635894.db2.gz UDKSJXZTPVEIFM-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP C[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CCC1(C)C ZINC000884724261 584636260 /nfs/dbraw/zinc/63/62/60/584636260.db2.gz OBRPGQLNUTVOBJ-ZDUSSCGKSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CCN1c1cc[nH+]cc1 ZINC000884789934 584637740 /nfs/dbraw/zinc/63/77/40/584637740.db2.gz FQKCLGWUKUWGAQ-WRSVWVKZSA-N 2 0 343.431 -0.013 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000884824385 584639221 /nfs/dbraw/zinc/63/92/21/584639221.db2.gz XSKWHPHOPQPCHS-VNHYZAJKSA-N 2 0 331.420 -0.015 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884921728 584640840 /nfs/dbraw/zinc/64/08/40/584640840.db2.gz DIDFIHUXRSABSF-HDJSIYSDSA-N 2 0 328.457 -0.343 20 0 EBADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000884975398 584642091 /nfs/dbraw/zinc/64/20/91/584642091.db2.gz CMDMYACZAUCWML-HNNXBMFYSA-N 2 0 340.468 -0.201 20 0 EBADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000887063079 584673985 /nfs/dbraw/zinc/67/39/85/584673985.db2.gz OWNWCGQJVZZQGY-CQSZACIVSA-N 2 0 338.452 -0.351 20 0 EBADRP CCN(C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000887066697 584674570 /nfs/dbraw/zinc/67/45/70/584674570.db2.gz RLJLAYNHCCVFIT-OAHLLOKOSA-N 2 0 331.420 -0.059 20 0 EBADRP C[NH+](C)CCNC(=S)NCCCC[NH+]1CCC(C(N)=O)CC1 ZINC000044159512 649943699 /nfs/dbraw/zinc/94/36/99/649943699.db2.gz VOGKVWNLENCKEA-UHFFFAOYSA-N 2 0 329.514 -0.010 20 0 EBADRP COC1CC[NH+](CCNC(=[NH2+])NCCCN2CCOCC2)CC1 ZINC000079918306 649971458 /nfs/dbraw/zinc/97/14/58/649971458.db2.gz YZHZPFCRHLXQKF-UHFFFAOYSA-N 2 0 327.473 -0.276 20 0 EBADRP C[NH2+][C@H](C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)c1cnn(C)c1 ZINC000517234401 650012152 /nfs/dbraw/zinc/01/21/52/650012152.db2.gz FKMJRYOKDUJPFZ-ZFWWWQNUSA-N 2 0 348.451 -0.649 20 0 EBADRP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000904336967 650049112 /nfs/dbraw/zinc/04/91/12/650049112.db2.gz LHTGRPOBZQYUNU-NMWPEEMBSA-N 2 0 346.497 -0.305 20 0 EBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)C[C@]2(C)C1 ZINC000904958000 650051979 /nfs/dbraw/zinc/05/19/79/650051979.db2.gz CQXXKIHRBZWELD-AIANZEFSSA-N 2 0 334.464 -0.018 20 0 EBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000904968608 650052713 /nfs/dbraw/zinc/05/27/13/650052713.db2.gz OCGCHPVMLMOPNA-MRXNPFEDSA-N 2 0 328.457 -0.655 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C[C@H]1C[NH3+] ZINC000904989003 650055645 /nfs/dbraw/zinc/05/56/45/650055645.db2.gz XEPXHTJZKYIPGO-TUVASFSCSA-N 2 0 338.452 -0.903 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000904993997 650057033 /nfs/dbraw/zinc/05/70/33/650057033.db2.gz FAHWRMZAARACDD-HNNXBMFYSA-N 2 0 340.468 -0.377 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000904999131 650057752 /nfs/dbraw/zinc/05/77/52/650057752.db2.gz XOEQGZRXCZXKGP-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000904997615 650058001 /nfs/dbraw/zinc/05/80/01/650058001.db2.gz UUKSRDJZXUAGGF-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2COC)C1 ZINC000905015734 650059883 /nfs/dbraw/zinc/05/98/83/650059883.db2.gz QICUQMVSXAIBAU-ZIAGYGMSSA-N 2 0 326.441 -0.624 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000905021006 650060338 /nfs/dbraw/zinc/06/03/38/650060338.db2.gz CHWALGGZKCQMQH-AWEZNQCLSA-N 2 0 326.441 -0.578 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000905021076 650060452 /nfs/dbraw/zinc/06/04/52/650060452.db2.gz DALUYZPMBZGQKB-ZIAGYGMSSA-N 2 0 326.441 -0.578 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000905025667 650061605 /nfs/dbraw/zinc/06/16/05/650061605.db2.gz ZJDQPNVRECWPDX-CABCVRRESA-N 2 0 338.452 -0.623 20 0 EBADRP O[C@@H](CN1CCN(C[C@H](O)C[NH+]2CCCC2)CC1)C[NH+]1CCCC1 ZINC000906612021 650069135 /nfs/dbraw/zinc/06/91/35/650069135.db2.gz GLXVYIHKIKUCEG-QZTJIDSGSA-N 2 0 340.512 -0.483 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000906679685 650070041 /nfs/dbraw/zinc/07/00/41/650070041.db2.gz YONAWFJRARAHML-MRXNPFEDSA-N 2 0 339.528 -0.130 20 0 EBADRP CN1CCC(CNC(=O)CCNC(=O)CO)([NH+]2CCCCC2)CC1 ZINC000906824333 650072505 /nfs/dbraw/zinc/07/25/05/650072505.db2.gz SOTPLBRFPWVYGZ-UHFFFAOYSA-N 2 0 340.468 -0.449 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000910923005 650140351 /nfs/dbraw/zinc/14/03/51/650140351.db2.gz IMYOXNANZUNTMX-KBPBESRZSA-N 2 0 326.441 -0.936 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)[NH+]1CCCCC1 ZINC000910946449 650141613 /nfs/dbraw/zinc/14/16/13/650141613.db2.gz MCWIQFYMVRNICU-BBRMVZONSA-N 2 0 326.441 -0.711 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)NCCN2CCC([NH3+])CC2)CCCC1 ZINC000910951514 650141941 /nfs/dbraw/zinc/14/19/41/650141941.db2.gz COTIDKVTURHCTH-UHFFFAOYSA-N 2 0 339.484 -0.484 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000910960478 650142406 /nfs/dbraw/zinc/14/24/06/650142406.db2.gz VAYHHZASAJYVOT-OAHLLOKOSA-N 2 0 340.468 -0.188 20 0 EBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000910975774 650143320 /nfs/dbraw/zinc/14/33/20/650143320.db2.gz GQRFHHJJNALABA-CYBMUJFWSA-N 2 0 327.473 -0.628 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CCCO1 ZINC000910982106 650143517 /nfs/dbraw/zinc/14/35/17/650143517.db2.gz AKIXPCPDXOUWSK-KBPBESRZSA-N 2 0 340.468 -0.282 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)C1 ZINC000910992031 650144005 /nfs/dbraw/zinc/14/40/05/650144005.db2.gz KZUXXBLUPZDNRP-HZSPNIEDSA-N 2 0 326.441 -0.735 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000910990302 650144233 /nfs/dbraw/zinc/14/42/33/650144233.db2.gz BJTBZTUHPHKJOL-ZIAGYGMSSA-N 2 0 340.468 -0.345 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000910990922 650144275 /nfs/dbraw/zinc/14/42/75/650144275.db2.gz FVEZFPQAJFQQDJ-HZSPNIEDSA-N 2 0 326.441 -0.817 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000911002682 650144570 /nfs/dbraw/zinc/14/45/70/650144570.db2.gz MPQRWOVEGSKBQM-MRXNPFEDSA-N 2 0 348.447 -0.319 20 0 EBADRP CCC[NH+]1CCC(CNC(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000911004363 650144827 /nfs/dbraw/zinc/14/48/27/650144827.db2.gz OOXOPZGECBVLHC-UHFFFAOYSA-N 2 0 339.484 -0.754 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000911002590 650144841 /nfs/dbraw/zinc/14/48/41/650144841.db2.gz BSKTWRYPFITWQG-UONOGXRCSA-N 2 0 338.452 -0.719 20 0 EBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000911011394 650145253 /nfs/dbraw/zinc/14/52/53/650145253.db2.gz GBSISJRNYVFBLA-QEJZJMRPSA-N 2 0 338.452 -0.570 20 0 EBADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911013858 650145661 /nfs/dbraw/zinc/14/56/61/650145661.db2.gz CYGKYXBGQXRKJV-CQSZACIVSA-N 2 0 339.484 -0.626 20 0 EBADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911027032 650146136 /nfs/dbraw/zinc/14/61/36/650146136.db2.gz BGCMRWYJUUSFKC-LSDHHAIUSA-N 2 0 339.484 -0.756 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1)C1CC1 ZINC000911052842 650147867 /nfs/dbraw/zinc/14/78/67/650147867.db2.gz ISGRXIQFSLBAJX-WDEREUQCSA-N 2 0 336.358 -0.065 20 0 EBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911072638 650149206 /nfs/dbraw/zinc/14/92/06/650149206.db2.gz LMAPJEGWRMGIQH-KGLIPLIRSA-N 2 0 340.468 -0.282 20 0 EBADRP O=C(NCc1ccon1)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000911077140 650149479 /nfs/dbraw/zinc/14/94/79/650149479.db2.gz LMINBAVYTHHCLU-GASCZTMLSA-N 2 0 347.419 -0.282 20 0 EBADRP CN(C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)C1(C[NH3+])CCOCC1 ZINC000911079740 650149704 /nfs/dbraw/zinc/14/97/04/650149704.db2.gz PEVSQFJCGUODGK-KBPBESRZSA-N 2 0 340.468 -0.058 20 0 EBADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911081387 650149776 /nfs/dbraw/zinc/14/97/76/650149776.db2.gz XFRUGHAAVHDDRT-GJZGRUSLSA-N 2 0 339.484 -0.485 20 0 EBADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)C(C)(C)C ZINC000911076804 650149832 /nfs/dbraw/zinc/14/98/32/650149832.db2.gz JPTGNFUHMCEHBJ-SUMWQHHRSA-N 2 0 342.484 -0.219 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000911099339 650151054 /nfs/dbraw/zinc/15/10/54/650151054.db2.gz LOUNVXQCXJYSGI-CQSZACIVSA-N 2 0 339.484 -0.676 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)C[N@@H+]1C1CC1 ZINC000911147288 650154371 /nfs/dbraw/zinc/15/43/71/650154371.db2.gz OZHFWLHMQNDDJT-OLZOCXBDSA-N 2 0 338.452 -0.306 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000911155351 650154752 /nfs/dbraw/zinc/15/47/52/650154752.db2.gz JLDPEZVXHVQICZ-MRXNPFEDSA-N 2 0 326.441 -0.575 20 0 EBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000911163843 650156297 /nfs/dbraw/zinc/15/62/97/650156297.db2.gz ZWQSQHYIGGGNJU-BBRMVZONSA-N 2 0 326.441 -0.711 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000911177469 650157056 /nfs/dbraw/zinc/15/70/56/650157056.db2.gz SENOBURFJJRFKO-WMLDXEAASA-N 2 0 340.468 -0.199 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911186390 650157698 /nfs/dbraw/zinc/15/76/98/650157698.db2.gz IVLOXRMCCQYHBG-HZSPNIEDSA-N 2 0 326.441 -0.815 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC[C@H]1C[NH3+] ZINC000911183727 650157911 /nfs/dbraw/zinc/15/79/11/650157911.db2.gz PETOWJWZWQWDOV-CABCVRRESA-N 2 0 340.468 -0.342 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000911187831 650158091 /nfs/dbraw/zinc/15/80/91/650158091.db2.gz TWFFWNVSJSTBQB-HUUCEWRRSA-N 2 0 339.484 -0.674 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911193595 650158532 /nfs/dbraw/zinc/15/85/32/650158532.db2.gz KELYCIGIGLCGQQ-HZSPNIEDSA-N 2 0 326.441 -0.543 20 0 EBADRP C[C@@H](NC(=O)C(=O)N1CCNCC[NH2+]CC1)C(C)(C)C[NH+](C)C ZINC000911201558 650158919 /nfs/dbraw/zinc/15/89/19/650158919.db2.gz SCAPDLXPZRPJRD-CYBMUJFWSA-N 2 0 327.473 -0.900 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CCSC1 ZINC000911201012 650159053 /nfs/dbraw/zinc/15/90/53/650159053.db2.gz VCERFFAEQZZFQV-NHYWBVRUSA-N 2 0 328.482 -0.346 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1CCOC ZINC000911206393 650159708 /nfs/dbraw/zinc/15/97/08/650159708.db2.gz DJVFUTCYDMBROL-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000911218563 650160132 /nfs/dbraw/zinc/16/01/32/650160132.db2.gz KVTHBWOHWALBND-OAHLLOKOSA-N 2 0 338.452 -0.576 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000911214590 650160243 /nfs/dbraw/zinc/16/02/43/650160243.db2.gz IHPHQTHFOAQKAG-DZGCQCFKSA-N 2 0 338.452 -0.576 20 0 EBADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)c1 ZINC000911219999 650160881 /nfs/dbraw/zinc/16/08/81/650160881.db2.gz SVESVHBQKMJIPV-GOSISDBHSA-N 2 0 348.447 -0.323 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911229896 650160995 /nfs/dbraw/zinc/16/09/95/650160995.db2.gz CHHPVJADCIDOEW-INIZCTEOSA-N 2 0 326.441 -0.575 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000911231599 650161580 /nfs/dbraw/zinc/16/15/80/650161580.db2.gz OSSZTPFFTWVFPM-UONOGXRCSA-N 2 0 328.457 -0.486 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000911163840 650156031 /nfs/dbraw/zinc/15/60/31/650156031.db2.gz ZUWSFGICZRAIDP-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP O=C(NCCCN1CCOCC1)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000911247226 650162890 /nfs/dbraw/zinc/16/28/90/650162890.db2.gz NYCQVXLAAYAQQP-KRWDZBQOSA-N 2 0 338.452 -0.431 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)C(=O)NCCCn2ccnc2)C[C@H]1C(F)(F)F ZINC000911247769 650163032 /nfs/dbraw/zinc/16/30/32/650163032.db2.gz QYDDQQRVXYJYEG-NXEZZACHSA-N 2 0 333.314 -0.263 20 0 EBADRP O=C(NCCCN1CCOCC1)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911246555 650163049 /nfs/dbraw/zinc/16/30/49/650163049.db2.gz HQGLOZSNDGVNQW-RHSMWYFYSA-N 2 0 338.452 -0.527 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)NCCCN2CCOCC2)CC[C@@H]1C[NH3+] ZINC000911247207 650163149 /nfs/dbraw/zinc/16/31/49/650163149.db2.gz NGIIIRCEQATNJM-UONOGXRCSA-N 2 0 326.441 -0.732 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)C[NH+]1CCN(C)CC1 ZINC000911268747 650164350 /nfs/dbraw/zinc/16/43/50/650164350.db2.gz FSRYKPRGRRSRNE-UONOGXRCSA-N 2 0 339.484 -0.818 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000911268280 650164356 /nfs/dbraw/zinc/16/43/56/650164356.db2.gz CHKPTMWESQYLST-ZIAGYGMSSA-N 2 0 326.441 -0.719 20 0 EBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)C[NH+]1CCN(C)CC1 ZINC000911270505 650164813 /nfs/dbraw/zinc/16/48/13/650164813.db2.gz XXQPYQAZAJRULK-ZIAGYGMSSA-N 2 0 339.484 -0.900 20 0 EBADRP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911278337 650165824 /nfs/dbraw/zinc/16/58/24/650165824.db2.gz ZWKRDEKNAOKMEE-ZNMIVQPWSA-N 2 0 338.452 -0.698 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)C[NH+](C)C ZINC000911278289 650165879 /nfs/dbraw/zinc/16/58/79/650165879.db2.gz ZHYWXTKECCXXQC-BFHYXJOUSA-N 2 0 328.457 -0.426 20 0 EBADRP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000911278336 650165913 /nfs/dbraw/zinc/16/59/13/650165913.db2.gz ZWKRDEKNAOKMEE-SOUVJXGZSA-N 2 0 338.452 -0.698 20 0 EBADRP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000911283484 650166153 /nfs/dbraw/zinc/16/61/53/650166153.db2.gz GTXDHJKRAGXUSW-SOUVJXGZSA-N 2 0 338.452 -0.840 20 0 EBADRP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCCN2CCSC[C@H]12 ZINC000911286948 650166966 /nfs/dbraw/zinc/16/69/66/650166966.db2.gz AYWMQANNSMSPKI-RWMBFGLXSA-N 2 0 326.466 -0.449 20 0 EBADRP O=C(NCC1=CC[NH2+]CC1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911305838 650168778 /nfs/dbraw/zinc/16/87/78/650168778.db2.gz IOWCAZJKNUHCQA-GJZGRUSLSA-N 2 0 336.436 -0.920 20 0 EBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C[C@]2(C)C1 ZINC000911317486 650170663 /nfs/dbraw/zinc/17/06/63/650170663.db2.gz VXCAWBCPFVJJRZ-AIANZEFSSA-N 2 0 334.464 -0.099 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000911357812 650174128 /nfs/dbraw/zinc/17/41/28/650174128.db2.gz JBCZUWLSFZPSFG-UUCFBXCCSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000911370331 650176276 /nfs/dbraw/zinc/17/62/76/650176276.db2.gz WWPWHUJKDNJTEU-MGPQQGTHSA-N 2 0 326.441 -0.720 20 0 EBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000911386034 650177734 /nfs/dbraw/zinc/17/77/34/650177734.db2.gz MUTPYKSGMOKGRF-KBPBESRZSA-N 2 0 338.452 -0.528 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1)C[NH+](C)C ZINC000911433996 650183572 /nfs/dbraw/zinc/18/35/72/650183572.db2.gz GXCHWHPDIJAERQ-BFHYXJOUSA-N 2 0 328.457 -0.487 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000911487559 650188204 /nfs/dbraw/zinc/18/82/04/650188204.db2.gz VFWLBVFWOSXZKA-BARDWOONSA-N 2 0 340.468 -0.155 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)C[C@H](C)O1 ZINC000911527957 650190476 /nfs/dbraw/zinc/19/04/76/650190476.db2.gz MQUFBCOVUMSWHD-HZSPNIEDSA-N 2 0 340.468 -0.284 20 0 EBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000911519608 650189609 /nfs/dbraw/zinc/18/96/09/650189609.db2.gz CAMADRMUEIMPDQ-CQSZACIVSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C[C@H](C)O1 ZINC000911542588 650192151 /nfs/dbraw/zinc/19/21/51/650192151.db2.gz PIQWTFJOAJOHJV-BTFPBAQTSA-N 2 0 338.452 -0.389 20 0 EBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000911545491 650192483 /nfs/dbraw/zinc/19/24/83/650192483.db2.gz JWXYLAQEUTWZHN-VHDGCEQUSA-N 2 0 338.452 -0.699 20 0 EBADRP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911546990 650192611 /nfs/dbraw/zinc/19/26/11/650192611.db2.gz TVLZANGFBIJCIG-JARUQAPTSA-N 2 0 336.436 -0.947 20 0 EBADRP CN(CC[N@H+](C)CCO)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000912606309 650209374 /nfs/dbraw/zinc/20/93/74/650209374.db2.gz NYKDTBMKBWOQBM-UHFFFAOYSA-N 2 0 349.479 -0.024 20 0 EBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC(O)(C[NH+](C)C)CC2)CC1=O ZINC000913680391 650242792 /nfs/dbraw/zinc/24/27/92/650242792.db2.gz NFQCRANYGHGQLJ-CQSZACIVSA-N 2 0 340.468 -0.688 20 0 EBADRP CN(CC(=O)N1CCN(C)CC1)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000913683430 650243015 /nfs/dbraw/zinc/24/30/15/650243015.db2.gz CDPSOLRGJMNRQZ-MRXNPFEDSA-N 2 0 326.441 -0.934 20 0 EBADRP CCCNC(=O)CN1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000914115792 650252653 /nfs/dbraw/zinc/25/26/53/650252653.db2.gz GFUHYXLWQDKRAR-AWEZNQCLSA-N 2 0 325.457 -0.020 20 0 EBADRP CN1CCO[C@H](CNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000916895572 650277574 /nfs/dbraw/zinc/27/75/74/650277574.db2.gz NWKXFMUGAKBUNE-HUUCEWRRSA-N 2 0 326.441 -0.131 20 0 EBADRP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923416534 650339406 /nfs/dbraw/zinc/33/94/06/650339406.db2.gz YOGMOVMRUAHJGV-XQLPTFJDSA-N 2 0 327.425 -0.113 20 0 EBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@H](O)COC1CCOCC1)C2 ZINC000923428562 650339603 /nfs/dbraw/zinc/33/96/03/650339603.db2.gz JIPCFIJRNFZIMB-LOUJCGABSA-N 2 0 342.436 -0.245 20 0 EBADRP COCCN(C)C[C@H](O)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000923429016 650339739 /nfs/dbraw/zinc/33/97/39/650339739.db2.gz NCDSQWSJKJTTBB-FQLMCAECSA-N 2 0 329.441 -0.862 20 0 EBADRP COC(=O)CCN1CC[C@@H]([NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1=O ZINC000923447687 650341119 /nfs/dbraw/zinc/34/11/19/650341119.db2.gz VZNWOCQOYFICIU-ZIAGYGMSSA-N 2 0 339.436 -0.020 20 0 EBADRP C[C@H]1C[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC[C@H]1C[NH3+] ZINC000923496151 650342020 /nfs/dbraw/zinc/34/20/20/650342020.db2.gz HGBWICUOVGMGEX-RYUDHWBXSA-N 2 0 334.424 -0.650 20 0 EBADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1C[C@@H]3CC[NH2+]C[C@@H]3C1)c(=O)n2C ZINC000923517719 650342379 /nfs/dbraw/zinc/34/23/79/650342379.db2.gz QBRXHUVSUKTNGE-QWHCGFSZSA-N 2 0 346.435 -0.635 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(S(=O)(=O)C2C[NH2+]C2)CC1 ZINC000923601267 650345951 /nfs/dbraw/zinc/34/59/51/650345951.db2.gz NAWOYUMBASEMCH-ZIAGYGMSSA-N 2 0 330.498 -0.222 20 0 EBADRP C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000923613420 650347507 /nfs/dbraw/zinc/34/75/07/650347507.db2.gz JWXDTORCHKHCMC-LSDHHAIUSA-N 2 0 330.498 -0.220 20 0 EBADRP [NH3+][C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)C[C@H]1c1cccc(F)c1 ZINC000923647000 650350616 /nfs/dbraw/zinc/35/06/16/650350616.db2.gz LZCXOPCQSSGSEP-UONOGXRCSA-N 2 0 328.413 -0.298 20 0 EBADRP O=S(=O)(NCc1cc(O[C@H]2CC[NH2+]C2)ccn1)[C@H]1CCC[NH2+]C1 ZINC000923647229 650350732 /nfs/dbraw/zinc/35/07/32/650350732.db2.gz CSFDYOLDCRHVGV-GJZGRUSLSA-N 2 0 340.449 -0.006 20 0 EBADRP C[NH+]1CCN(C2CCN(S(=O)(=O)[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000923667869 650351160 /nfs/dbraw/zinc/35/11/60/650351160.db2.gz XILXQWZKULCUGN-HNNXBMFYSA-N 2 0 330.498 -0.220 20 0 EBADRP C[NH+](C)C[C@@H]1NC(=O)N(CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1=O ZINC000924562425 650364572 /nfs/dbraw/zinc/36/45/72/650364572.db2.gz ZESIUZZYEQZTCY-NEPJUHHUSA-N 2 0 325.413 -0.944 20 0 EBADRP CN1C[C@@H](CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1=O ZINC000924740171 650367290 /nfs/dbraw/zinc/36/72/90/650367290.db2.gz AZZAQMXQYGIIIR-AWEZNQCLSA-N 2 0 327.473 -0.010 20 0 EBADRP C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000924983380 650370382 /nfs/dbraw/zinc/37/03/82/650370382.db2.gz FDFIIJIIQQEEMX-HZPDHXFCSA-N 2 0 347.463 -0.225 20 0 EBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000925168039 650373811 /nfs/dbraw/zinc/37/38/11/650373811.db2.gz GGATWFMWAHLTDZ-MELADBBJSA-N 2 0 328.482 -0.068 20 0 EBADRP C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000925169755 650374167 /nfs/dbraw/zinc/37/41/67/650374167.db2.gz KOGOLZUQYSIAGZ-YIYPIFLZSA-N 2 0 328.482 -0.070 20 0 EBADRP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000926321227 650386039 /nfs/dbraw/zinc/38/60/39/650386039.db2.gz PWYHVYMSAVLKKR-YOEHRIQHSA-N 2 0 338.452 -0.615 20 0 EBADRP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000926321226 650386278 /nfs/dbraw/zinc/38/62/78/650386278.db2.gz PWYHVYMSAVLKKR-WMLDXEAASA-N 2 0 338.452 -0.615 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000926335302 650386948 /nfs/dbraw/zinc/38/69/48/650386948.db2.gz XLXNTMSLDNKQKG-KBPBESRZSA-N 2 0 328.457 -0.534 20 0 EBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000926353724 650388366 /nfs/dbraw/zinc/38/83/66/650388366.db2.gz LYFYVWSWGCWWCA-PBHICJAKSA-N 2 0 340.468 -0.511 20 0 EBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926358945 650389046 /nfs/dbraw/zinc/38/90/46/650389046.db2.gz UFQCFUYXQMRRNP-UHFFFAOYSA-N 2 0 327.473 -0.802 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C[C@H]1[NH3+] ZINC000926356841 650389122 /nfs/dbraw/zinc/38/91/22/650389122.db2.gz PMNJNANIQUKESV-UKRRQHHQSA-N 2 0 340.468 -0.249 20 0 EBADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCC[C@@]([NH3+])(CO)C3)C2)C1 ZINC000926410905 650392154 /nfs/dbraw/zinc/39/21/54/650392154.db2.gz BVPPSZNIIZZJKC-IRXDYDNUSA-N 2 0 338.452 -0.757 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926656998 651492866 /nfs/dbraw/zinc/49/28/66/651492866.db2.gz VZTUWQRWXOILSS-KFWWJZLASA-N 2 0 328.457 -0.075 20 0 EBADRP CC[N@H+](CCO)CCNC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000927642807 651506535 /nfs/dbraw/zinc/50/65/35/651506535.db2.gz YGLUBMUXHMGGTO-OAHLLOKOSA-N 2 0 328.457 -0.147 20 0 EBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000929094558 651532095 /nfs/dbraw/zinc/53/20/95/651532095.db2.gz UPNZMOIXTZBHJP-GJZGRUSLSA-N 2 0 340.468 -0.498 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)C[NH+](C)C ZINC000929508585 651551740 /nfs/dbraw/zinc/55/17/40/651551740.db2.gz CPJPZSUQBRAIDG-ZFWWWQNUSA-N 2 0 340.468 -0.330 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NCC1CC[NH+](CC)CC1)C[NH+](C)C ZINC000929645741 651559489 /nfs/dbraw/zinc/55/94/89/651559489.db2.gz KGQZQKSMXJVBMR-OAHLLOKOSA-N 2 0 342.484 -0.083 20 0 EBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000929749433 651563171 /nfs/dbraw/zinc/56/31/71/651563171.db2.gz GAASFGGQIRIJSW-DZGCQCFKSA-N 2 0 340.468 -0.188 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC23CC[NH+](C)CC3)C1 ZINC000930008730 651577833 /nfs/dbraw/zinc/57/78/33/651577833.db2.gz GBALTZXWXFSQTI-CQSZACIVSA-N 2 0 338.452 -0.480 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH+](C)C ZINC000930145895 651585278 /nfs/dbraw/zinc/58/52/78/651585278.db2.gz NUEZRASTINJRDQ-MELADBBJSA-N 2 0 328.457 -0.332 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000931583464 651635598 /nfs/dbraw/zinc/63/55/98/651635598.db2.gz KGNSDHNWBWBXOK-CQSZACIVSA-N 2 0 340.468 -0.199 20 0 EBADRP CC1(C)CNC(=O)[C@@H]1[NH2+]CCOCC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931651842 651640768 /nfs/dbraw/zinc/64/07/68/651640768.db2.gz BSVVJLSBZBRENE-TXEJJXNPSA-N 2 0 326.441 -0.769 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H]2C(=O)NCC2(C)C)C1 ZINC000931667474 651641912 /nfs/dbraw/zinc/64/19/12/651641912.db2.gz KDTZEMICYJFHCH-ZFWWWQNUSA-N 2 0 340.468 -0.426 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)C[NH+](C)C ZINC000932467269 651681535 /nfs/dbraw/zinc/68/15/35/651681535.db2.gz IRWYUGSJVXJVCA-KFWWJZLASA-N 2 0 342.484 -0.132 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N(CC)[C@H]1CC[N@H+](C)C1)C[NH+](C)C ZINC000932469857 651682822 /nfs/dbraw/zinc/68/28/22/651682822.db2.gz PTIAWQWCUHEROE-KBPBESRZSA-N 2 0 328.457 -0.378 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@H]1CC(=O)NC1=O ZINC000932684459 651689816 /nfs/dbraw/zinc/68/98/16/651689816.db2.gz LDNFTBJCBBSRLH-CYBMUJFWSA-N 2 0 326.441 -0.229 20 0 EBADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)CC1 ZINC000933098523 651710832 /nfs/dbraw/zinc/71/08/32/651710832.db2.gz GIHUBTLQVRUHDU-OAHLLOKOSA-N 2 0 345.513 -0.763 20 0 EBADRP CO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000941377133 652703106 /nfs/dbraw/zinc/70/31/06/652703106.db2.gz JEYWMMAMRQUAHE-QLFBSQMISA-N 2 0 338.452 -0.482 20 0 EBADRP C[C@H](O)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCc4nccn43)CC2)C1 ZINC000941436923 652737348 /nfs/dbraw/zinc/73/73/48/652737348.db2.gz LHMSWTQBKXQKTB-HOCLYGCPSA-N 2 0 347.463 -0.030 20 0 EBADRP C[C@H](O)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCn4cncc4C3)CC2)C1 ZINC000941462810 652752080 /nfs/dbraw/zinc/75/20/80/652752080.db2.gz GKTKRWDXRYXLSD-LSDHHAIUSA-N 2 0 347.463 -0.345 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H](OC)C1)[NH+](C)C ZINC000944466133 652777664 /nfs/dbraw/zinc/77/76/64/652777664.db2.gz XDORJAOPOSGCQZ-KBUPBQIOSA-N 2 0 340.468 -0.237 20 0 EBADRP C[C@H](O)C[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC000941534043 652790462 /nfs/dbraw/zinc/79/04/62/652790462.db2.gz KDSNPORNVJYAES-JYJNAYRXSA-N 2 0 338.496 -0.074 20 0 EBADRP O=C(N1CCN(C2C[NH+](C[C@H]3CCOC3)C2)CC1)C12CC[NH+](CC1)C2 ZINC000941641200 652851116 /nfs/dbraw/zinc/85/11/16/652851116.db2.gz ZGESPEPMVRRHKR-MRXNPFEDSA-N 2 0 348.491 -0.053 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC000939753276 653040508 /nfs/dbraw/zinc/04/05/08/653040508.db2.gz DKEQDMXRHSEOON-HUUCEWRRSA-N 2 0 338.452 -0.623 20 0 EBADRP C[C@H]1C[N@H+](CCN2CCNC2=O)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944918994 653289257 /nfs/dbraw/zinc/28/92/57/653289257.db2.gz LYIBBPXAZDVXHW-LSDHHAIUSA-N 2 0 337.468 -0.066 20 0 EBADRP C[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944943465 653297781 /nfs/dbraw/zinc/29/77/81/653297781.db2.gz IHCVWBRSVWDSLJ-CHWSQXEVSA-N 2 0 336.440 -0.469 20 0 EBADRP Cc1cncn1CC(=O)N1CC[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000941275668 653479793 /nfs/dbraw/zinc/47/97/93/653479793.db2.gz FRDBWGMXLODDHO-RBSFLKMASA-N 2 0 349.435 -0.372 20 0 EBADRP c1cc(N2CCN3CC[NH2+]C[C@@H]3C2)nnc1OCC1CC[NH2+]CC1 ZINC001164400550 718842375 /nfs/dbraw/zinc/84/23/75/718842375.db2.gz ZMCFYSAVMRFCGY-OAHLLOKOSA-N 2 0 332.452 -0.051 20 0 EBADRP C[NH+](C)CCN1C[C@@H](C(=O)N(CCO)C2CC[NH+](C)CC2)CC1=O ZINC000911938370 719426781 /nfs/dbraw/zinc/42/67/81/719426781.db2.gz HDARRJVOCCLXIJ-AWEZNQCLSA-N 2 0 340.468 -0.688 20 0 EBADRP CO[C@@H]1CCOC[C@H]1[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000934041792 719445640 /nfs/dbraw/zinc/44/56/40/719445640.db2.gz INMSQYATKNQCGE-ARFHVFGLSA-N 2 0 343.468 -0.147 20 0 EBADRP C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc(C[NH3+])ncn2)CC3)CC1 ZINC001164794619 721511984 /nfs/dbraw/zinc/51/19/84/721511984.db2.gz TYHNAVYCLRUQKK-UHFFFAOYSA-N 2 0 342.451 -0.101 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)CC1 ZINC000958374231 722354100 /nfs/dbraw/zinc/35/41/00/722354100.db2.gz LPEPOELPWYLQCM-HUUCEWRRSA-N 2 0 336.440 -0.971 20 0 EBADRP O=C(NC[C@H]1C[N@H+](CCO)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC000958581927 722395044 /nfs/dbraw/zinc/39/50/44/722395044.db2.gz VPFMLRDBQCYCJB-HOTGVXAUSA-N 2 0 325.453 -0.490 20 0 EBADRP O=C(NC[C@H]1C[N@H+](CCCO)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC000958581694 722395056 /nfs/dbraw/zinc/39/50/56/722395056.db2.gz RLOMSAJJQFOCIR-DLBZAZTESA-N 2 0 339.480 -0.100 20 0 EBADRP Cn1nccc1CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958592201 722397603 /nfs/dbraw/zinc/39/76/03/722397603.db2.gz MSPSYSBAUNLGIG-ZBFHGGJFSA-N 2 0 347.463 -0.533 20 0 EBADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000958850473 722617806 /nfs/dbraw/zinc/61/78/06/722617806.db2.gz BGQXKNIAIWVIHQ-ILXRZTDVSA-N 2 0 338.452 -0.936 20 0 EBADRP CN(C(=O)C[NH+]1CCCC1)[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000958851875 722619781 /nfs/dbraw/zinc/61/97/81/722619781.db2.gz NCYKECGBDUSOEC-GJZGRUSLSA-N 2 0 338.452 -0.792 20 0 EBADRP O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2)N1CCCC1 ZINC000959922414 722775547 /nfs/dbraw/zinc/77/55/47/722775547.db2.gz NHWWZPRXWGYQRL-CBZIJGRNSA-N 2 0 346.475 -0.003 20 0 EBADRP O=C(N1CCCC[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O)C12CC[NH+](CC1)C2 ZINC000960187712 722804861 /nfs/dbraw/zinc/80/48/61/722804861.db2.gz HVRRUYQAPWJEAG-KBPBESRZSA-N 2 0 348.447 -0.142 20 0 EBADRP CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C1)[NH+](C)C ZINC001019000795 728770550 /nfs/dbraw/zinc/77/05/50/728770550.db2.gz QHNRMIFFIWAQAX-HOCLYGCPSA-N 2 0 340.468 -0.378 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC000960583962 722841234 /nfs/dbraw/zinc/84/12/34/722841234.db2.gz YOXXUWUYCYCJJQ-LJISPDSOSA-N 2 0 335.452 -0.458 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21)C12CCC[NH+]1CCC2 ZINC000960778130 722863865 /nfs/dbraw/zinc/86/38/65/722863865.db2.gz VDTTUIGGOOEMFE-BARDWOONSA-N 2 0 332.448 -0.060 20 0 EBADRP C[NH+]1CC[C@@H](C(=O)N2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C3)C2)C1 ZINC001019037768 728777687 /nfs/dbraw/zinc/77/76/87/728777687.db2.gz AYSJPFUWTGLCRL-HUUCEWRRSA-N 2 0 334.464 -0.049 20 0 EBADRP CC[C@@H]([NH2+][C@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1)C(N)=O ZINC001019038921 728778906 /nfs/dbraw/zinc/77/89/06/728778906.db2.gz IMIQQVABMKZHGN-UONOGXRCSA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)C[C@H]3C2)C1 ZINC000961601489 723043917 /nfs/dbraw/zinc/04/39/17/723043917.db2.gz YCCOVESGIOUJBH-GEEKYZPCSA-N 2 0 334.464 -0.193 20 0 EBADRP CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CC[NH+](C)CC2)C1=O ZINC000961657301 723053491 /nfs/dbraw/zinc/05/34/91/723053491.db2.gz DAPCYBQCAKIDMM-QXSJWSMHSA-N 2 0 334.464 -0.005 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC000961778221 723078950 /nfs/dbraw/zinc/07/89/50/723078950.db2.gz KRHXOLWXRITUIW-IATRGZMQSA-N 2 0 348.447 -0.430 20 0 EBADRP C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H](O)C2)CCC1 ZINC000961962873 723132386 /nfs/dbraw/zinc/13/23/86/723132386.db2.gz INTOVUGAPKPGMA-RDBSUJKOSA-N 2 0 338.452 -0.747 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCCC4)C[C@H]32)C1 ZINC000962297450 723220182 /nfs/dbraw/zinc/22/01/82/723220182.db2.gz ZPMHDRUKPLWAGT-OIPACUDHSA-N 2 0 334.464 -0.003 20 0 EBADRP CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C23CC[NH+](CC2)C3)C1=O ZINC000962301829 723221831 /nfs/dbraw/zinc/22/18/31/723221831.db2.gz XKFXWCKBDLTVJN-BARDWOONSA-N 2 0 332.448 -0.251 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC2CC(C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC000962308486 723223196 /nfs/dbraw/zinc/22/31/96/723223196.db2.gz FSXVYXPSSHYEIC-HIFPTAJRSA-N 2 0 336.440 -0.565 20 0 EBADRP Cn1nccc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001019168760 728814384 /nfs/dbraw/zinc/81/43/84/728814384.db2.gz UNWMHRSAJZSMFG-NOAVELHRSA-N 2 0 345.447 -0.026 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CC3(CC(NC(=O)[C@@H]4CCC[N@@H+]4C)C3)C2)nc1=O ZINC000963629824 723458464 /nfs/dbraw/zinc/45/84/64/723458464.db2.gz CDVBSBVRKYHFIU-LMYLPIETSA-N 2 0 348.451 -0.280 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC2CC3(C2)CC([NH2+]CC(N)=O)C3)n1 ZINC000963816178 723493111 /nfs/dbraw/zinc/49/31/11/723493111.db2.gz SMOCECZKYLSRPY-UHFFFAOYSA-N 2 0 348.451 -0.439 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CCO1 ZINC001019241712 728835440 /nfs/dbraw/zinc/83/54/40/728835440.db2.gz WLGBERYMBXHUHJ-SOUVJXGZSA-N 2 0 338.452 -0.482 20 0 EBADRP CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)[NH+](C)C ZINC001019338986 728863335 /nfs/dbraw/zinc/86/33/35/728863335.db2.gz IXPTVKYDPFDZCJ-XJKSGUPXSA-N 2 0 338.452 -0.088 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1nnnn1C)C2 ZINC000965061332 724110881 /nfs/dbraw/zinc/11/08/81/724110881.db2.gz CFUWOAFLBSRXDK-JEJCEMRNSA-N 2 0 347.467 -0.075 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1)[NH+](C)C ZINC001019394882 728878634 /nfs/dbraw/zinc/87/86/34/728878634.db2.gz PILBDGXWYRHLMY-KKUMJFAQSA-N 2 0 340.468 -0.236 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1)C(N)=O ZINC000969086403 725149904 /nfs/dbraw/zinc/14/99/04/725149904.db2.gz MWGPSCBWXYAWLX-CHWSQXEVSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](CCN2C(=O)CCC2=O)C1 ZINC000969413020 725178014 /nfs/dbraw/zinc/17/80/14/725178014.db2.gz XSQNFVJGFDFPAC-GXTWGEPZSA-N 2 0 336.436 -0.334 20 0 EBADRP CC(C)[C@H](C(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1)[NH+](C)C ZINC000969535269 725189731 /nfs/dbraw/zinc/18/97/31/725189731.db2.gz LHJHFLLXAZDJDU-APIJFGDWSA-N 2 0 340.468 -0.645 20 0 EBADRP C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1C[NH+](CCN2CCNC2=O)C1 ZINC000969676755 725202249 /nfs/dbraw/zinc/20/22/49/725202249.db2.gz IEJBKFFFSBHOHC-XJKSGUPXSA-N 2 0 349.479 -0.210 20 0 EBADRP C[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)CC1 ZINC000969815076 725219755 /nfs/dbraw/zinc/21/97/55/725219755.db2.gz PGJGXNVMPXAOQH-CYBMUJFWSA-N 2 0 337.424 -0.930 20 0 EBADRP CN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1=O ZINC000970354615 725281543 /nfs/dbraw/zinc/28/15/43/725281543.db2.gz CMRQHRDXMNMDRU-UKRRQHHQSA-N 2 0 338.452 -0.482 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CC[C@@H]([NH2+]CCn3cncn3)C2)CC1 ZINC000970356325 725282428 /nfs/dbraw/zinc/28/24/28/725282428.db2.gz XQDXPOJBOBOVTG-CQSZACIVSA-N 2 0 336.440 -0.421 20 0 EBADRP C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1C[NH+](CCN2CCNC2=O)C1 ZINC000970372020 725284901 /nfs/dbraw/zinc/28/49/01/725284901.db2.gz KFMIVFOOXXLEGV-CYBMUJFWSA-N 2 0 337.468 -0.210 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC000970481289 725295153 /nfs/dbraw/zinc/29/51/53/725295153.db2.gz DCVGUMKCHJPROA-UONOGXRCSA-N 2 0 336.436 -0.332 20 0 EBADRP O=C(N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)C12CC[NH+](CC1)C2 ZINC000970492286 725295777 /nfs/dbraw/zinc/29/57/77/725295777.db2.gz RDOPPSLUZBHQQG-CYBMUJFWSA-N 2 0 334.420 -0.578 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC000970727606 725320677 /nfs/dbraw/zinc/32/06/77/725320677.db2.gz LTMBRCACOIEPFB-HUUCEWRRSA-N 2 0 338.452 -0.623 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CCN2CCNC2=O)C1)C1CC1 ZINC000971681052 725429968 /nfs/dbraw/zinc/42/99/68/725429968.db2.gz BDXDIGVLVBODGK-GJZGRUSLSA-N 2 0 337.468 -0.116 20 0 EBADRP C[N@H+](CC(=O)N1CCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1)C1CCC1 ZINC001051654317 735295627 /nfs/dbraw/zinc/29/56/27/735295627.db2.gz LEHLFLFAKIVIOG-GJZGRUSLSA-N 2 0 338.452 -0.434 20 0 EBADRP CC[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000972626837 725564742 /nfs/dbraw/zinc/56/47/42/725564742.db2.gz BMNJXQZFWPFXAY-HIFRSBDPSA-N 2 0 340.468 -0.106 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC(NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000991891041 725668036 /nfs/dbraw/zinc/66/80/36/725668036.db2.gz SPIZLXZADSTFCV-BBRMVZONSA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(NC1CN(C(=O)C23CC[NH+](CC2)C3)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000993582092 725912038 /nfs/dbraw/zinc/91/20/38/725912038.db2.gz UBLYLGYVTNTLPT-LSDHHAIUSA-N 2 0 348.447 -0.728 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995078437 726158358 /nfs/dbraw/zinc/15/83/58/726158358.db2.gz JVYNAQNMVHFRGM-TZMCWYRMSA-N 2 0 335.456 -0.074 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995168551 726179772 /nfs/dbraw/zinc/17/97/72/726179772.db2.gz ORLQVLSYDPSTGG-STQMWFEESA-N 2 0 333.440 -0.320 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995168548 726179882 /nfs/dbraw/zinc/17/98/82/726179882.db2.gz ORLQVLSYDPSTGG-OLZOCXBDSA-N 2 0 333.440 -0.320 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)nc1=O ZINC000995219851 726192679 /nfs/dbraw/zinc/19/26/79/726192679.db2.gz ZMAANBFEIRFPIM-QWHCGFSZSA-N 2 0 336.440 -0.421 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC000976540935 726340798 /nfs/dbraw/zinc/34/07/98/726340798.db2.gz PHJNWDVVBVCIJR-AALSBFMBSA-N 2 0 334.464 -0.149 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000976558458 726349604 /nfs/dbraw/zinc/34/96/04/726349604.db2.gz LQAMMXMDZWWUQQ-SMLCLMEVSA-N 2 0 346.475 -0.147 20 0 EBADRP O=C(NC1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1)C12CC[NH+](CC1)C2 ZINC000996468808 726401431 /nfs/dbraw/zinc/40/14/31/726401431.db2.gz GVAQODHXNVWMIL-SFHVURJKSA-N 2 0 332.448 -0.105 20 0 EBADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCN1CCNC1=O ZINC000996518409 726409798 /nfs/dbraw/zinc/40/97/98/726409798.db2.gz FBBWFCBXHYHKQA-CQSZACIVSA-N 2 0 349.479 -0.066 20 0 EBADRP Cn1nnnc1C[NH2+]C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000996561027 726418414 /nfs/dbraw/zinc/41/84/14/726418414.db2.gz NQZNSLSAPRAFGD-AWEZNQCLSA-N 2 0 333.440 -0.368 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]CCN3CCNC3=O)C(C)(C)C2)C1 ZINC000996617624 726420125 /nfs/dbraw/zinc/42/01/25/726420125.db2.gz VRIOHIVFENEXQG-KBPBESRZSA-N 2 0 337.468 -0.210 20 0 EBADRP CC(C)[C@H](C(=O)N1CCC([NH2+]Cc2nc(=O)n(C)[nH]2)CC1)[NH+](C)C ZINC000996978072 726434019 /nfs/dbraw/zinc/43/40/19/726434019.db2.gz LJBVQGCUWCLUAK-CQSZACIVSA-N 2 0 338.456 -0.225 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC000997010559 726434713 /nfs/dbraw/zinc/43/47/13/726434713.db2.gz SGTVCAXAQZMNEN-WCQYABFASA-N 2 0 336.440 -0.613 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCC([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC000997307481 726445633 /nfs/dbraw/zinc/44/56/33/726445633.db2.gz RYFCTQPQBATJSY-UHFFFAOYSA-N 2 0 337.424 -0.785 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC([NH2+][C@@H](C)C(N)=O)CC1 ZINC000997313003 726445818 /nfs/dbraw/zinc/44/58/18/726445818.db2.gz MEFXJNBXXUKFFB-OLZOCXBDSA-N 2 0 326.441 -0.591 20 0 EBADRP Cn1nnnc1C[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998216749 726481289 /nfs/dbraw/zinc/48/12/89/726481289.db2.gz KKAXZLHZRHXXBX-AWEZNQCLSA-N 2 0 335.456 -0.120 20 0 EBADRP Cn1[nH]c(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nc1=O ZINC000999167548 726509606 /nfs/dbraw/zinc/50/96/06/726509606.db2.gz ARPWBIKSZNIWOF-ZIAGYGMSSA-N 2 0 348.451 -0.469 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1)C(N)=O ZINC000999493943 726520890 /nfs/dbraw/zinc/52/08/90/726520890.db2.gz NOQTVKVLFVFOFW-ZIAGYGMSSA-N 2 0 340.468 -0.201 20 0 EBADRP CN(C(=O)c1cnn(CC[NH+](C)C)c1)C1CC([NH2+][C@H]2CCNC2=O)C1 ZINC000999538477 726521942 /nfs/dbraw/zinc/52/19/42/726521942.db2.gz QZXPHPIXDLBYKB-NRXISQOPSA-N 2 0 348.451 -0.474 20 0 EBADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000999831832 726534166 /nfs/dbraw/zinc/53/41/66/726534166.db2.gz MOVIVACAXBOLIE-PNESKVBLSA-N 2 0 337.424 -0.931 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001000222226 726560310 /nfs/dbraw/zinc/56/03/10/726560310.db2.gz CQMUCPNLWUZOQP-OLZOCXBDSA-N 2 0 339.440 -0.541 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001000688655 726575267 /nfs/dbraw/zinc/57/52/67/726575267.db2.gz LUKQLRLUDSXJAS-CABCVRRESA-N 2 0 337.468 -0.066 20 0 EBADRP O=C(N1CCC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001000704401 726575758 /nfs/dbraw/zinc/57/57/58/726575758.db2.gz XLKSORVBTJSCOK-CHWSQXEVSA-N 2 0 334.420 -0.532 20 0 EBADRP O=C(C[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)N1CCOCC1 ZINC001000931099 726584216 /nfs/dbraw/zinc/58/42/16/726584216.db2.gz BEFQGWUVEKHISZ-OAHLLOKOSA-N 2 0 338.452 -0.478 20 0 EBADRP O=C(NC1CC[NH+](CCN2CCNC2=O)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001002832002 726649620 /nfs/dbraw/zinc/64/96/20/726649620.db2.gz IPQXTZIBOGLSSQ-INIZCTEOSA-N 2 0 349.479 -0.066 20 0 EBADRP O=C(NC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1)C12CC[NH+](CC1)C2 ZINC001003974836 726696527 /nfs/dbraw/zinc/69/65/27/726696527.db2.gz MSKOYJTXVLLPJL-ZDUSSCGKSA-N 2 0 334.420 -0.532 20 0 EBADRP CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2CN(CC)CCO2)CC1 ZINC001004177779 726702266 /nfs/dbraw/zinc/70/22/66/726702266.db2.gz ASOWKBDGICYTMW-UONOGXRCSA-N 2 0 326.441 -0.448 20 0 EBADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001006401382 726767848 /nfs/dbraw/zinc/76/78/48/726767848.db2.gz RCQHONPCQCPFHF-OCCSQVGLSA-N 2 0 336.436 -0.334 20 0 EBADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001006401383 726767862 /nfs/dbraw/zinc/76/78/62/726767862.db2.gz RCQHONPCQCPFHF-TZMCWYRMSA-N 2 0 336.436 -0.334 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001008884357 726821586 /nfs/dbraw/zinc/82/15/86/726821586.db2.gz SAFAOQPCJOBHCX-LVQVYYBASA-N 2 0 346.475 -0.003 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H](C[NH2+]Cc3cnnn3C)C2)C1 ZINC001051823405 735415002 /nfs/dbraw/zinc/41/50/02/735415002.db2.gz AGFUUGSNNXUZCY-HIFRSBDPSA-N 2 0 336.440 -0.526 20 0 EBADRP Cc1cc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CCO2)nn1C ZINC001051933020 735471332 /nfs/dbraw/zinc/47/13/32/735471332.db2.gz XSKLXJSDWMFIAN-ZBFHGGJFSA-N 2 0 335.452 -0.003 20 0 EBADRP O=C(CC[NH+]1CCCCC1)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051943124 735477579 /nfs/dbraw/zinc/47/75/79/735477579.db2.gz ITOSEILKYRPQFA-LSDHHAIUSA-N 2 0 338.452 -0.432 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001014484215 727960860 /nfs/dbraw/zinc/96/08/60/727960860.db2.gz QITIISNUMWARLX-HZSPNIEDSA-N 2 0 336.436 -0.334 20 0 EBADRP O=C(N[C@@H]1CC12CC[NH+]([C@H]1CCNC1=O)CC2)C12CC[NH+](CC1)C2 ZINC001016929655 728526965 /nfs/dbraw/zinc/52/69/65/728526965.db2.gz CHCWRCAEUSOCQE-UONOGXRCSA-N 2 0 332.448 -0.059 20 0 EBADRP C[C@@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001017747918 728608426 /nfs/dbraw/zinc/60/84/26/728608426.db2.gz LWICEKMMXMRUSK-VLBSVHGGSA-N 2 0 335.448 -0.094 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001019779101 728989066 /nfs/dbraw/zinc/98/90/66/728989066.db2.gz LTMBRCACOIEPFB-CABCVRRESA-N 2 0 338.452 -0.623 20 0 EBADRP O=C(N[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001020161961 729088905 /nfs/dbraw/zinc/08/89/05/729088905.db2.gz VDUWEQRZIHVRGX-SYQHCUMBSA-N 2 0 334.420 -0.630 20 0 EBADRP O=C(N[C@H]1C[C@H]([NH2+]CCn2cccn2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001020178676 729092097 /nfs/dbraw/zinc/09/20/97/729092097.db2.gz AYIUDVDCPDKZQY-FPCVCCKLSA-N 2 0 333.436 -0.017 20 0 EBADRP O=C(N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001020178690 729092626 /nfs/dbraw/zinc/09/26/26/729092626.db2.gz BBSBLSSICPQTKP-KBUPBQIOSA-N 2 0 334.424 -0.622 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)nc1=O ZINC001020289288 729125494 /nfs/dbraw/zinc/12/54/94/729125494.db2.gz WVPMLCBPPPMKTH-SYQHCUMBSA-N 2 0 348.451 -0.138 20 0 EBADRP O=C(N[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)C12CCC[NH+]1CCC2 ZINC001020348990 729143185 /nfs/dbraw/zinc/14/31/85/729143185.db2.gz PYEUTRRDMBNVKX-JHJVBQTASA-N 2 0 334.420 -0.343 20 0 EBADRP O=C(N[C@@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)C12CCC[NH+]1CCC2 ZINC001020348813 729143366 /nfs/dbraw/zinc/14/33/66/729143366.db2.gz HEEXAYPNUSIDMO-JOCQHMNTSA-N 2 0 349.435 -0.597 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1)C(N)=O ZINC001020381583 729152340 /nfs/dbraw/zinc/15/23/40/729152340.db2.gz PPQSKXCYXYNDNT-IJLUTSLNSA-N 2 0 328.376 -0.009 20 0 EBADRP Cc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)[nH]1 ZINC001020407005 729160872 /nfs/dbraw/zinc/16/08/72/729160872.db2.gz KASVRXFNPLLFRM-BUWUWWBNSA-N 2 0 346.435 -0.287 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCOCC3)C2)CC1 ZINC001020541898 729198618 /nfs/dbraw/zinc/19/86/18/729198618.db2.gz PNMWLVJOLMZZCT-SHTZXODSSA-N 2 0 338.452 -0.576 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001020586207 729204749 /nfs/dbraw/zinc/20/47/49/729204749.db2.gz ICOYLTYQYHWMPW-RBSFLKMASA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001020586681 729204818 /nfs/dbraw/zinc/20/48/18/729204818.db2.gz VVVBKWTZNINKHH-IHRRRGAJSA-N 2 0 336.436 -0.144 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001020592434 729206597 /nfs/dbraw/zinc/20/65/97/729206597.db2.gz FPKMSDRSNQLGGB-TUVASFSCSA-N 2 0 338.452 -0.720 20 0 EBADRP CC1CC[NH+](CC(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001020818493 729243157 /nfs/dbraw/zinc/24/31/57/729243157.db2.gz PAKOMGVLPQVOII-MGPQQGTHSA-N 2 0 336.436 -0.240 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001021049357 729275406 /nfs/dbraw/zinc/27/54/06/729275406.db2.gz NBMFIYGDBKWDEY-XGUBFFRZSA-N 2 0 343.493 0.000 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001021049830 729275458 /nfs/dbraw/zinc/27/54/58/729275458.db2.gz VWDNMSPAUNILQI-CRWXNKLISA-N 2 0 329.466 -0.390 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001021091424 729282040 /nfs/dbraw/zinc/28/20/40/729282040.db2.gz VSEHCLSVSVLSPO-FDYHWXHSSA-N 2 0 336.440 -0.282 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)CCO1 ZINC001021906285 729345039 /nfs/dbraw/zinc/34/50/39/729345039.db2.gz KBNSYANVDZAIPG-APIJFGDWSA-N 2 0 338.452 -0.435 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)CCO1 ZINC001021906288 729345053 /nfs/dbraw/zinc/34/50/53/729345053.db2.gz KBNSYANVDZAIPG-XQLPTFJDSA-N 2 0 338.452 -0.435 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)n1 ZINC001022097095 729454627 /nfs/dbraw/zinc/45/46/27/729454627.db2.gz NUUABQXFBLKXQH-FRRDWIJNSA-N 2 0 334.424 -0.816 20 0 EBADRP O=C(N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001022118947 729457133 /nfs/dbraw/zinc/45/71/33/729457133.db2.gz AYIUDVDCPDKZQY-XUWVNRHRSA-N 2 0 333.436 -0.017 20 0 EBADRP CCn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001022119420 729457172 /nfs/dbraw/zinc/45/71/72/729457172.db2.gz FRNILRSFFPONSL-XGUBFFRZSA-N 2 0 348.451 -0.102 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001022293721 729474307 /nfs/dbraw/zinc/47/43/07/729474307.db2.gz WNRCVKBQAQTMQW-XQQFMLRXSA-N 2 0 337.424 -0.741 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001022289960 729474499 /nfs/dbraw/zinc/47/44/99/729474499.db2.gz DDLHHLDKUFVMGK-MJBXVCDLSA-N 2 0 336.436 -0.144 20 0 EBADRP Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001022451760 729495189 /nfs/dbraw/zinc/49/51/89/729495189.db2.gz GZWCDYIPFBDOSO-QGJIUJSSSA-N 2 0 346.435 -0.585 20 0 EBADRP O=C(N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001022455243 729495493 /nfs/dbraw/zinc/49/54/93/729495493.db2.gz NAAXFKPESRSPQC-WCCAFZKYSA-N 2 0 346.435 -0.622 20 0 EBADRP Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001022452022 729495575 /nfs/dbraw/zinc/49/55/75/729495575.db2.gz JGVYSWKBHWBMGT-JULPMKOJSA-N 2 0 346.435 -0.585 20 0 EBADRP O=C(N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001022455121 729495686 /nfs/dbraw/zinc/49/56/86/729495686.db2.gz HWVQCEKBBYJYIP-SYGRHNPNSA-N 2 0 345.447 -0.017 20 0 EBADRP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001022612879 729518393 /nfs/dbraw/zinc/51/83/93/729518393.db2.gz IHYVRKPZAZUYNG-XQQFMLRXSA-N 2 0 348.403 -0.003 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001022717180 729524320 /nfs/dbraw/zinc/52/43/20/729524320.db2.gz SDDQTGNBUZYMOZ-FQUUOJAGSA-N 2 0 336.436 -0.430 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001022712565 729524423 /nfs/dbraw/zinc/52/44/23/729524423.db2.gz UGFDXWNAWZURBZ-UPJWGTAASA-N 2 0 337.424 -0.741 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)nc1=O ZINC001022809501 729534782 /nfs/dbraw/zinc/53/47/82/729534782.db2.gz OQNIQTOXDSUPCV-BETUJISGSA-N 2 0 336.440 -0.423 20 0 EBADRP Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001022838407 729536805 /nfs/dbraw/zinc/53/68/05/729536805.db2.gz MYEDNMPIXPMLTM-OKILXGFUSA-N 2 0 346.439 -0.376 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001023086468 729598754 /nfs/dbraw/zinc/59/87/54/729598754.db2.gz NBMFIYGDBKWDEY-BARDWOONSA-N 2 0 343.493 0.000 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001023796344 729800897 /nfs/dbraw/zinc/80/08/97/729800897.db2.gz BLEXTVLUPLCVCH-RBSFLKMASA-N 2 0 338.452 -0.888 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3nnnn3C)C2)CC[N@@H+]1C ZINC001023993945 729826018 /nfs/dbraw/zinc/82/60/18/729826018.db2.gz UWIFKUAYQJOJFR-MGPQQGTHSA-N 2 0 335.456 -0.122 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCC[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001024267269 729868042 /nfs/dbraw/zinc/86/80/42/729868042.db2.gz ADYWZVIFUHNOKB-KGLIPLIRSA-N 2 0 336.436 -0.284 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CCN2CCNC2=O)C1 ZINC001024800404 729930901 /nfs/dbraw/zinc/93/09/01/729930901.db2.gz DWBSMHGIPCKHRZ-CABCVRRESA-N 2 0 337.468 -0.066 20 0 EBADRP CC(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC001025017213 729987112 /nfs/dbraw/zinc/98/71/12/729987112.db2.gz LHJHFLLXAZDJDU-TUVASFSCSA-N 2 0 340.468 -0.645 20 0 EBADRP CN1CCC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1=O ZINC001025787513 730088478 /nfs/dbraw/zinc/08/84/78/730088478.db2.gz MXVOVZXVHBIOSX-UUAJXVIYSA-N 2 0 346.475 -0.005 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001025820373 730096807 /nfs/dbraw/zinc/09/68/07/730096807.db2.gz SYZPRPDIJLOYMY-UUAJXVIYSA-N 2 0 347.463 -0.225 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001025820371 730096933 /nfs/dbraw/zinc/09/69/33/730096933.db2.gz SYZPRPDIJLOYMY-FIDHJVLJSA-N 2 0 347.463 -0.225 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001026043416 730117623 /nfs/dbraw/zinc/11/76/23/730117623.db2.gz RRTOERUUWWSRRF-OCABDXPQSA-N 2 0 347.463 -0.225 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H]4CCc5ncnn54)C[C@H]32)C1 ZINC001026145875 730125528 /nfs/dbraw/zinc/12/55/28/730125528.db2.gz SYVMGSDFYKGTFI-GRYWWWGRSA-N 2 0 330.436 -0.237 20 0 EBADRP O=C(NC1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1)C12CC[NH+](CC1)C2 ZINC001026593339 730151790 /nfs/dbraw/zinc/15/17/90/730151790.db2.gz KSBLJWKWJQFOEB-JXQTWKCFSA-N 2 0 348.447 -0.096 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nc1=O ZINC001026886601 730167351 /nfs/dbraw/zinc/16/73/51/730167351.db2.gz BJEQGRTZQYRHTG-FZMZJTMJSA-N 2 0 336.440 -0.613 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nc1=O ZINC001026921796 730170671 /nfs/dbraw/zinc/17/06/71/730170671.db2.gz XGNMCWGOJPNPAX-STQMWFEESA-N 2 0 336.440 -0.469 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)cn1 ZINC001027115685 730189333 /nfs/dbraw/zinc/18/93/33/730189333.db2.gz HTVAFAMEZQROKI-DZGCQCFKSA-N 2 0 348.451 -0.615 20 0 EBADRP CC1CC[NH+](CC(=O)N2CC[C@H](C[NH2+]Cc3nnnn3C)C2)CC1 ZINC001027139109 730191975 /nfs/dbraw/zinc/19/19/75/730191975.db2.gz AHRXLLOENWCPHL-CQSZACIVSA-N 2 0 335.456 -0.120 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC001027173381 730194882 /nfs/dbraw/zinc/19/48/82/730194882.db2.gz PAISBLNJPQODIG-GFCCVEGCSA-N 2 0 344.423 -0.077 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnnn3C3CC3)C2)C1 ZINC001027214952 730199710 /nfs/dbraw/zinc/19/97/10/730199710.db2.gz AUGSNHQPGWAGJG-QWHCGFSZSA-N 2 0 333.440 -0.102 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCN2CCNC2=O)CC[N@@H+]1C ZINC001027895696 730246530 /nfs/dbraw/zinc/24/65/30/730246530.db2.gz ZZNYRGFMOMGSHM-QLFBSQMISA-N 2 0 337.468 -0.068 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCN2C(=O)CNC2=O)C1 ZINC001028448329 730293537 /nfs/dbraw/zinc/29/35/37/730293537.db2.gz DFJXYVAHMJSJNI-CHWSQXEVSA-N 2 0 337.424 -0.930 20 0 EBADRP O=C(NC[C@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001028931410 730372080 /nfs/dbraw/zinc/37/20/80/730372080.db2.gz QAQFEAKNDHZVTH-CVEARBPZSA-N 2 0 347.463 -0.222 20 0 EBADRP C[N@H+](C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@H]1CCC(=O)NC1=O ZINC001029887361 730519483 /nfs/dbraw/zinc/51/94/83/730519483.db2.gz BEHARTQWSQZXGH-KGLIPLIRSA-N 2 0 348.447 -0.332 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H](O)CN2CCCC2=O)C1 ZINC001031584692 730737805 /nfs/dbraw/zinc/73/78/05/730737805.db2.gz HUYSAUFWHLGPJG-GJZGRUSLSA-N 2 0 338.452 -0.888 20 0 EBADRP O=C(NCC1C[NH+](C[C@H](O)Cn2cccn2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001031672535 730749083 /nfs/dbraw/zinc/74/90/83/730749083.db2.gz JKZXSYYIQLEDMQ-IRXDYDNUSA-N 2 0 347.463 -0.366 20 0 EBADRP Cn1cc(CC[NH+]2CC(CNC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)cn1 ZINC001031688351 730750533 /nfs/dbraw/zinc/75/05/33/730750533.db2.gz DGPRQQWMDCLWGC-IAGOWNOFSA-N 2 0 347.463 -0.126 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001031772483 730766683 /nfs/dbraw/zinc/76/66/83/730766683.db2.gz WDCJNEBFYLGQFM-CVEARBPZSA-N 2 0 335.452 -0.224 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCN3CCNC3=O)CC2)C1 ZINC001034792924 731157245 /nfs/dbraw/zinc/15/72/45/731157245.db2.gz PDKDUAZOBDIVFQ-KKUMJFAQSA-N 2 0 337.468 -0.020 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001034964330 731169437 /nfs/dbraw/zinc/16/94/37/731169437.db2.gz IGMDEWVZFHXUGA-NFAWXSAZSA-N 2 0 338.452 -0.042 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CCCN2C(=O)C[C@@H]2CC[N@H+](C)C2)nc1=O ZINC001035101561 731186292 /nfs/dbraw/zinc/18/62/92/731186292.db2.gz YVRUNIZXNKICQD-QWHCGFSZSA-N 2 0 336.440 -0.469 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@]1(O)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001039785355 731533269 /nfs/dbraw/zinc/53/32/69/731533269.db2.gz IJNFNAHHZDJENE-QGZVFWFLSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001040099731 731597702 /nfs/dbraw/zinc/59/77/02/731597702.db2.gz LAJXKNBDOYNVKW-KRWDZBQOSA-N 2 0 342.484 -0.252 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001040116841 731606780 /nfs/dbraw/zinc/60/67/80/731606780.db2.gz FDRMWJZFQIUECR-MRXNPFEDSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)CCC[NH+](C)C)C1)[NH+](C)C ZINC001040360255 731712880 /nfs/dbraw/zinc/71/28/80/731712880.db2.gz VNNKLMUMVAWGNW-WMLDXEAASA-N 2 0 342.484 -0.252 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)C[NH+](CC)CC)C1 ZINC001040445339 731735734 /nfs/dbraw/zinc/73/57/34/731735734.db2.gz ANSHQEWOXOXLBQ-KRWDZBQOSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[C@H](C(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC001040494946 731758671 /nfs/dbraw/zinc/75/86/71/731758671.db2.gz GRZOOWWQTMAUDU-CPUCHLNUSA-N 2 0 340.468 -0.500 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001061427660 738537946 /nfs/dbraw/zinc/53/79/46/738537946.db2.gz DFYVKPBGZDWFJC-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040719847 731846436 /nfs/dbraw/zinc/84/64/36/731846436.db2.gz YGYDHZDLDVXXLJ-QGZVFWFLSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001040797163 731878739 /nfs/dbraw/zinc/87/87/39/731878739.db2.gz CCPUWVLMNUYPDI-BBRMVZONSA-N 2 0 328.457 -0.642 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040797804 731878999 /nfs/dbraw/zinc/87/89/99/731878999.db2.gz LPJJNQZXJFWCQM-INIZCTEOSA-N 2 0 328.457 -0.641 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040801214 731881268 /nfs/dbraw/zinc/88/12/68/731881268.db2.gz NVEMLUPXFSOOOD-QGZVFWFLSA-N 2 0 342.484 -0.252 20 0 EBADRP O=C(N1CC[C@]2(CC[N@@H+]([C@@H]3CCNC3=O)C2)C1)C12CC[NH+](CC1)C2 ZINC001041788977 732226709 /nfs/dbraw/zinc/22/67/09/732226709.db2.gz KWJPMFQHTLFBMD-PBHICJAKSA-N 2 0 332.448 -0.105 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@]3(CC[NH+](CCN4CCNC4=O)C3)C2)C1 ZINC001041829644 732234808 /nfs/dbraw/zinc/23/48/08/732234808.db2.gz ABDOIRYQIHAVMY-YJBOKZPZSA-N 2 0 349.479 -0.112 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001042097475 732306252 /nfs/dbraw/zinc/30/62/52/732306252.db2.gz IBVOKOBJYMDGHZ-CYBMUJFWSA-N 2 0 326.441 -0.888 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001061595281 738634642 /nfs/dbraw/zinc/63/46/42/738634642.db2.gz GXMNQQFYRPTGAS-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001061595965 738635641 /nfs/dbraw/zinc/63/56/41/738635641.db2.gz RUUAQHCMDNGUJS-CABCVRRESA-N 2 0 340.468 -0.378 20 0 EBADRP CC[C@H](C(=O)N1CCOC[C@H]1CNC(=O)C[NH+]1CCCC1)[NH+](C)C ZINC001061598680 738638483 /nfs/dbraw/zinc/63/84/83/738638483.db2.gz CGMQAPUXMRQNDS-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001043119894 732770282 /nfs/dbraw/zinc/77/02/82/732770282.db2.gz GMUMSYYEWPRKKX-ZIAGYGMSSA-N 2 0 338.452 -0.888 20 0 EBADRP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001043418880 732925661 /nfs/dbraw/zinc/92/56/61/732925661.db2.gz DVRBUXZDROZPIK-UHFFFAOYSA-N 2 0 340.468 -0.496 20 0 EBADRP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001043426229 732930331 /nfs/dbraw/zinc/93/03/31/732930331.db2.gz JDMCTWCWLFGFPA-UHFFFAOYSA-N 2 0 340.468 -0.496 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001043429479 732933571 /nfs/dbraw/zinc/93/35/71/732933571.db2.gz CPLGHAGEPTZHDS-UHFFFAOYSA-N 2 0 328.457 -0.642 20 0 EBADRP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001043453285 732949145 /nfs/dbraw/zinc/94/91/45/732949145.db2.gz AQJYRNQHGWMZNB-UHFFFAOYSA-N 2 0 326.441 -0.888 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001043613147 733024220 /nfs/dbraw/zinc/02/42/20/733024220.db2.gz PDEOWCXLZAAPTG-UHFFFAOYSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001043613393 733024497 /nfs/dbraw/zinc/02/44/97/733024497.db2.gz UIJWAZDVDWZRRQ-CYBMUJFWSA-N 2 0 340.468 -0.500 20 0 EBADRP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001043770435 733104465 /nfs/dbraw/zinc/10/44/65/733104465.db2.gz MPACMXILXXFMHF-CYBMUJFWSA-N 2 0 326.441 -0.888 20 0 EBADRP CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1)[NH+](C)C ZINC001044042227 733259288 /nfs/dbraw/zinc/25/92/88/733259288.db2.gz YIJLQVNXNQVQEP-KBPBESRZSA-N 2 0 342.484 -0.398 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001044298359 733364513 /nfs/dbraw/zinc/36/45/13/733364513.db2.gz KBCGXXBTJVRAKG-ZDUSSCGKSA-N 2 0 328.457 -0.642 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)C1 ZINC001044298548 733365338 /nfs/dbraw/zinc/36/53/38/733365338.db2.gz NMBZIVOUTQAABE-ZIAGYGMSSA-N 2 0 340.468 -0.785 20 0 EBADRP C[C@@H]1C[C@H]([NH2+]Cc2nnnn2C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001044822664 733520557 /nfs/dbraw/zinc/52/05/57/733520557.db2.gz MEKHLVRBXBUITP-CHWSQXEVSA-N 2 0 333.440 -0.225 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CCC[C@H]2C[NH2+][C@H]2CCNC2=O)n1 ZINC001045042401 733563717 /nfs/dbraw/zinc/56/37/17/733563717.db2.gz VVPRDAGVVTWMLL-KBPBESRZSA-N 2 0 348.451 -0.473 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CCC[C@H]2C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001045256739 733637851 /nfs/dbraw/zinc/63/78/51/733637851.db2.gz DHQWVORLRBNPOX-DZGCQCFKSA-N 2 0 338.452 -0.434 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001045388771 733683141 /nfs/dbraw/zinc/68/31/41/733683141.db2.gz DOCTZSKGBQDWAZ-CHWSQXEVSA-N 2 0 336.436 -0.144 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001045391933 733684483 /nfs/dbraw/zinc/68/44/83/733684483.db2.gz LTJXMHKOGAJOAB-UHFFFAOYSA-N 2 0 340.468 -0.641 20 0 EBADRP CN1CC[C@H]([NH+]2CCC(C)(NC(=O)[C@H]3CN(C)CCO3)CC2)C1=O ZINC001045397526 733686482 /nfs/dbraw/zinc/68/64/82/733686482.db2.gz FKIGZDTWPQESKN-UONOGXRCSA-N 2 0 338.452 -0.482 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)CCC[NH+](C)C)C2)C1 ZINC001045418208 733691836 /nfs/dbraw/zinc/69/18/36/733691836.db2.gz SJIUUNOHKPEQHH-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045716934 733758966 /nfs/dbraw/zinc/75/89/66/733758966.db2.gz RESBHVUOAXFKQK-ZDUSSCGKSA-N 2 0 326.441 -0.888 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045717113 733759173 /nfs/dbraw/zinc/75/91/73/733759173.db2.gz USMZNHXIOIGCKZ-KBPBESRZSA-N 2 0 340.468 -0.500 20 0 EBADRP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001045720736 733760108 /nfs/dbraw/zinc/76/01/08/733760108.db2.gz WRFSXSWNKCBFPS-ZDUSSCGKSA-N 2 0 326.441 -0.888 20 0 EBADRP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001045817845 733776653 /nfs/dbraw/zinc/77/66/53/733776653.db2.gz ZCYHSGRUTOKUEP-OWQJAQGESA-N 2 0 335.448 -0.093 20 0 EBADRP O=C(N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1)C12CCC[NH+]1CCC2 ZINC001046043226 733827436 /nfs/dbraw/zinc/82/74/36/733827436.db2.gz YVCXPGIEKPTFCW-MRXNPFEDSA-N 2 0 336.480 -0.174 20 0 EBADRP C[C@@H](O)C[N@@H+]1CC[C@H](N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001046058837 733838600 /nfs/dbraw/zinc/83/86/00/733838600.db2.gz TZJBNRHNBOEAOT-WBVHZDCISA-N 2 0 338.496 -0.073 20 0 EBADRP CC[C@@H](C(=O)N1CCN([C@@H]2CC[N@H+](CCCO)C2)CC1)[NH+](C)C ZINC001046063035 733839548 /nfs/dbraw/zinc/83/95/48/733839548.db2.gz KLWILTHTIBNCDC-CVEARBPZSA-N 2 0 326.485 -0.073 20 0 EBADRP CC[C@@H](C(=O)N1CCN([C@H]2CC[N@H+](CCCO)C2)CC1)[NH+](C)C ZINC001046063036 733839838 /nfs/dbraw/zinc/83/98/38/733839838.db2.gz KLWILTHTIBNCDC-HOTGVXAUSA-N 2 0 326.485 -0.073 20 0 EBADRP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001046075895 733850459 /nfs/dbraw/zinc/85/04/59/733850459.db2.gz HRWBALCZXQWNJD-HUUCEWRRSA-N 2 0 349.479 -0.826 20 0 EBADRP Cc1nc[nH]c1CC(=O)N1CCN([C@H]2CC[N@@H+](C[C@H](C)O)C2)CC1 ZINC001046081822 733854110 /nfs/dbraw/zinc/85/41/10/733854110.db2.gz PFIXWLRCRBWDRZ-ZFWWWQNUSA-N 2 0 335.452 -0.140 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001046082735 733855361 /nfs/dbraw/zinc/85/53/61/733855361.db2.gz WDVULPQGKPXHSH-HNNXBMFYSA-N 2 0 337.468 -0.953 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CCN2C(=O)CCC2=O)C1 ZINC001046196796 733875367 /nfs/dbraw/zinc/87/53/67/733875367.db2.gz GPANQBXFMPSQSD-GUYCJALGSA-N 2 0 336.436 -0.190 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001046530848 733955143 /nfs/dbraw/zinc/95/51/43/733955143.db2.gz DQJMGTLFAZCSGR-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001046531621 733956295 /nfs/dbraw/zinc/95/62/95/733956295.db2.gz RCOYCKSFGLADRC-UHFFFAOYSA-N 2 0 340.468 -0.498 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)C1 ZINC001046684306 734002845 /nfs/dbraw/zinc/00/28/45/734002845.db2.gz GSDCZBQHCQRPIS-ZIAGYGMSSA-N 2 0 340.468 -0.785 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001061829514 738773777 /nfs/dbraw/zinc/77/37/77/738773777.db2.gz SHQJVOTYNUTPBB-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001046776942 734025010 /nfs/dbraw/zinc/02/50/10/734025010.db2.gz MRYWBOIGFATVQQ-KRWDZBQOSA-N 2 0 348.447 -0.188 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CC(N)=O)C3)n1 ZINC001047073619 734089918 /nfs/dbraw/zinc/08/99/18/734089918.db2.gz UAPDCYZKKOVPBK-MJBXVCDLSA-N 2 0 348.451 -0.487 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CC(N)=O)C3)cn1 ZINC001047157383 734102858 /nfs/dbraw/zinc/10/28/58/734102858.db2.gz CTMGZDHKXNNHJM-QEJZJMRPSA-N 2 0 348.451 -0.487 20 0 EBADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@@H]1O ZINC001047323173 734134124 /nfs/dbraw/zinc/13/41/24/734134124.db2.gz VEQCPYABGGQABQ-PMPSAXMXSA-N 2 0 348.447 -0.517 20 0 EBADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@@H]1O ZINC001047323170 734134151 /nfs/dbraw/zinc/13/41/51/734134151.db2.gz VEQCPYABGGQABQ-JYJNAYRXSA-N 2 0 348.447 -0.517 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](CCc3ccnn3C)C[C@@H]2O)CC[N@@H+]1C ZINC001047384702 734167651 /nfs/dbraw/zinc/16/76/51/734167651.db2.gz GKHJCXGKYOHZMX-SIXLDLHFSA-N 2 0 349.479 -0.194 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001061858940 738789067 /nfs/dbraw/zinc/78/90/67/738789067.db2.gz ASWCDTMPJVYPJA-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnc3c2CCCC3)C1 ZINC001047460554 734206632 /nfs/dbraw/zinc/20/66/32/734206632.db2.gz LKVKPSGJYGRZSP-KCXAZCMYSA-N 2 0 336.436 -0.354 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H]2C[NH+](CCCO)C[C@@H]2O)C1 ZINC001047498130 734226510 /nfs/dbraw/zinc/22/65/10/734226510.db2.gz GJJSHXJBZCOKIN-PMPSAXMXSA-N 2 0 327.469 -0.006 20 0 EBADRP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001047513756 734234315 /nfs/dbraw/zinc/23/43/15/734234315.db2.gz NITQEIQUVBKHGR-KBMXLJTQSA-N 2 0 325.453 -0.132 20 0 EBADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001048277226 734379055 /nfs/dbraw/zinc/37/90/55/734379055.db2.gz KRLLDLLZVQUYJB-QWHCGFSZSA-N 2 0 335.456 -0.122 20 0 EBADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001048278962 734379855 /nfs/dbraw/zinc/37/98/55/734379855.db2.gz FVYPBEWXJMFCTF-CHWSQXEVSA-N 2 0 335.456 -0.122 20 0 EBADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001048364832 734400919 /nfs/dbraw/zinc/40/09/19/734400919.db2.gz BBDGZIZBJZZIDK-TZMCWYRMSA-N 2 0 335.456 -0.264 20 0 EBADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001048558295 734444171 /nfs/dbraw/zinc/44/41/71/734444171.db2.gz OZZVFCGAUSKBAF-ILXRZTDVSA-N 2 0 340.468 -0.548 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001048558659 734444674 /nfs/dbraw/zinc/44/46/74/734444674.db2.gz UIMBYBHWHBOZKP-KKUMJFAQSA-N 2 0 340.468 -0.548 20 0 EBADRP CN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)C[C@H]3C2)C1=O ZINC001048823451 734525452 /nfs/dbraw/zinc/52/54/52/734525452.db2.gz DISPBLAHFAOIEO-YYIAUSFCSA-N 2 0 346.475 -0.051 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001048824002 734525817 /nfs/dbraw/zinc/52/58/17/734525817.db2.gz QBHVSRABEZAXKQ-YYIAUSFCSA-N 2 0 346.475 -0.003 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+]([C@H]4CCN(C)C4=O)C[C@@H]3C2)CC[N@@H+]1C ZINC001048829817 734528475 /nfs/dbraw/zinc/52/84/75/734528475.db2.gz YXZXYGONFFAPOK-LJIZCISZSA-N 2 0 334.464 -0.053 20 0 EBADRP C[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943413 734578912 /nfs/dbraw/zinc/57/89/12/734578912.db2.gz CHXURYLUVGNGAU-JBOAZLPJSA-N 2 0 348.447 -0.886 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001048976600 734593814 /nfs/dbraw/zinc/59/38/14/734593814.db2.gz BNICQFRRNUBHFI-GJZGRUSLSA-N 2 0 342.484 -0.302 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1)[NH+](C)C ZINC001049065759 734634441 /nfs/dbraw/zinc/63/44/41/734634441.db2.gz WVIOQEVQZWMKAB-CRWXNKLISA-N 2 0 336.436 -0.478 20 0 EBADRP C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]2C1 ZINC001049108070 734646850 /nfs/dbraw/zinc/64/68/50/734646850.db2.gz DRPKCINQVPAWDQ-BMFZPTHFSA-N 2 0 335.452 -0.171 20 0 EBADRP CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1O)[NH+](C)C ZINC001049115076 734650373 /nfs/dbraw/zinc/65/03/73/734650373.db2.gz BWHPFNBUEJJHOL-XGUBFFRZSA-N 2 0 340.468 -0.549 20 0 EBADRP CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1O)[NH+](C)C ZINC001049118987 734652400 /nfs/dbraw/zinc/65/24/00/734652400.db2.gz IQISMRYPEAOIHO-KKUMJFAQSA-N 2 0 342.484 -0.303 20 0 EBADRP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+]([C@H]4CCNC4=O)C[C@@H]3C2)CC1 ZINC001049131147 734657398 /nfs/dbraw/zinc/65/73/98/734657398.db2.gz GBRGMUMSMMQBOJ-XHSDSOJGSA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(C[N@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1)N1CCC1 ZINC001049173294 734675847 /nfs/dbraw/zinc/67/58/47/734675847.db2.gz QWVCVOUAOFAFJN-GASCZTMLSA-N 2 0 332.448 -0.295 20 0 EBADRP CN1CCC[C@@H]([N@H+]2C[C@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@H]3C2)C1=O ZINC001049212233 734686483 /nfs/dbraw/zinc/68/64/83/734686483.db2.gz AFIFRFMAUVHEHV-CAOSSQGBSA-N 2 0 334.464 -0.051 20 0 EBADRP CC[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[N@H+](C)CC)C1)[NH+](C)C ZINC001049542104 734749344 /nfs/dbraw/zinc/74/93/44/734749344.db2.gz FZGPODVJPOIGTD-ILXRZTDVSA-N 2 0 342.484 -0.302 20 0 EBADRP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1CCC[C@H]2[C@H]1CC[N@H+]2CCO ZINC001049609967 734764829 /nfs/dbraw/zinc/76/48/29/734764829.db2.gz ILCQBXIBUAPBDU-SYGRHNPNSA-N 2 0 335.448 -0.093 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+]([C@H]1CCC(=O)NC1=O)CC2 ZINC001050461021 734903112 /nfs/dbraw/zinc/90/31/12/734903112.db2.gz CPLWCSCDEWKRHA-UONOGXRCSA-N 2 0 348.447 -0.190 20 0 EBADRP NC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)CC1 ZINC001050525200 734918757 /nfs/dbraw/zinc/91/87/57/734918757.db2.gz BNHANRAWZIKJBF-KBPBESRZSA-N 2 0 336.436 -0.741 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC3(C2)CC[NH+](CC(N)=O)CC3)C1 ZINC001050634232 734938681 /nfs/dbraw/zinc/93/86/81/734938681.db2.gz WEFJBNIJQFLIOC-AWEZNQCLSA-N 2 0 338.452 -0.495 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CC[NH+](CCN2CCNC2=O)CC3)C1 ZINC001050753868 734954384 /nfs/dbraw/zinc/95/43/84/734954384.db2.gz GWASULURSWNCSK-HNNXBMFYSA-N 2 0 349.479 -0.112 20 0 EBADRP Cn1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CCO2)cc1=O ZINC001051494988 735197676 /nfs/dbraw/zinc/19/76/76/735197676.db2.gz YIKCNQBYBUPXNH-HZPDHXFCSA-N 2 0 348.447 -0.204 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](N3CC[NH+](CCCO)CC3)C2)C1 ZINC001052108735 735551485 /nfs/dbraw/zinc/55/14/85/735551485.db2.gz QCKMOZQETYMWHJ-IRXDYDNUSA-N 2 0 338.496 -0.071 20 0 EBADRP CC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001055482908 736352200 /nfs/dbraw/zinc/35/22/00/736352200.db2.gz DGCLGCYUGLSWDQ-HZPDHXFCSA-N 2 0 338.452 -0.434 20 0 EBADRP CO[C@H](C)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001055534510 736373052 /nfs/dbraw/zinc/37/30/52/736373052.db2.gz JIFVXAMIFJBCES-HIFRSBDPSA-N 2 0 340.468 -0.188 20 0 EBADRP CO[C@H](C)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001055534512 736373101 /nfs/dbraw/zinc/37/31/01/736373101.db2.gz JIFVXAMIFJBCES-UKRRQHHQSA-N 2 0 340.468 -0.188 20 0 EBADRP CC(C)[C@@H](O)C(=O)NCC[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001055570469 736387232 /nfs/dbraw/zinc/38/72/32/736387232.db2.gz NRQBJXNPDZVKLH-MRXNPFEDSA-N 2 0 342.484 -0.348 20 0 EBADRP COCC(=O)NC1CC[NH+](CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001055589855 736395905 /nfs/dbraw/zinc/39/59/05/736395905.db2.gz RYCXJKMRCJYGPV-UHFFFAOYSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC001055602026 736402029 /nfs/dbraw/zinc/40/20/29/736402029.db2.gz MPTWNCDZTGNOPM-UHFFFAOYSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CCOC2)CC1 ZINC001055633316 736417427 /nfs/dbraw/zinc/41/74/27/736417427.db2.gz JRBQOKIFAYUYDT-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[C@@H](C(=O)N[C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001056022065 736600827 /nfs/dbraw/zinc/60/08/27/736600827.db2.gz PSUOKBMZCZNXTF-YOEHRIQHSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)C ZINC001057212249 737084777 /nfs/dbraw/zinc/08/47/77/737084777.db2.gz LIMUKUZTLPGQOV-KBPBESRZSA-N 2 0 328.457 -0.642 20 0 EBADRP C[NH+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001057212892 737086408 /nfs/dbraw/zinc/08/64/08/737086408.db2.gz YOXGFYFNSUJEDG-LSDHHAIUSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001057636230 737375987 /nfs/dbraw/zinc/37/59/87/737375987.db2.gz OXWGGRYVVRPNID-CQSZACIVSA-N 2 0 328.457 -0.783 20 0 EBADRP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)C[NH+](CC)CC ZINC001057658611 737396105 /nfs/dbraw/zinc/39/61/05/737396105.db2.gz BMVYDSHRSKWCIV-UHFFFAOYSA-N 2 0 330.473 -0.393 20 0 EBADRP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001057659804 737397138 /nfs/dbraw/zinc/39/71/38/737397138.db2.gz ZYUBUYPGJRTVLM-HNNXBMFYSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001057661575 737398636 /nfs/dbraw/zinc/39/86/36/737398636.db2.gz WYTMSQOMCXIKEK-AWEZNQCLSA-N 2 0 328.457 -0.783 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1 ZINC001057864168 737484813 /nfs/dbraw/zinc/48/48/13/737484813.db2.gz FFKUPBIHRBXZCN-UHFFFAOYSA-N 2 0 328.457 -0.641 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)C1([NH+](C)C)CCC1 ZINC001057875237 737494057 /nfs/dbraw/zinc/49/40/57/737494057.db2.gz NVYOQGGAOTUJRP-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[C@H](C(=O)NCCN(CCO)C(=O)[C@@H](C1CC1)[NH+](C)C)[NH+](C)C ZINC001057876395 737495497 /nfs/dbraw/zinc/49/54/97/737495497.db2.gz IODPAHAIDGONEW-HUUCEWRRSA-N 2 0 342.484 -0.396 20 0 EBADRP C[NH+](C)CCC(=O)NCCN(CCO)C(=O)C[N@H+](C)C1CCC1 ZINC001057903641 737522735 /nfs/dbraw/zinc/52/27/35/737522735.db2.gz RUUFVFOZVHHGCM-UHFFFAOYSA-N 2 0 328.457 -0.641 20 0 EBADRP CC[C@H](C(=O)N(CCO)CCNC(=O)C12CC[NH+](CC1)C2)[NH+](C)C ZINC001057974938 737571337 /nfs/dbraw/zinc/57/13/37/737571337.db2.gz ABGQDLWEXNKCRI-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@H](C(=O)N(CCO)CCNC(=O)CCC[NH+](C)C)[NH+](C)C ZINC001057975439 737572741 /nfs/dbraw/zinc/57/27/41/737572741.db2.gz SFFVZNUGALDXPW-CQSZACIVSA-N 2 0 330.473 -0.395 20 0 EBADRP CC[C@@H](C(=O)N(CCO)CCNC(=O)C1(C[NH+](C)C)CC1)[NH+](C)C ZINC001058168726 737690935 /nfs/dbraw/zinc/69/09/35/737690935.db2.gz SDFAUFVSJNTTRN-AWEZNQCLSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[C@@H](C(=O)NCCN(CCO)C(=O)CCCC[NH+](C)C)[NH+](C)C ZINC001058237157 737726889 /nfs/dbraw/zinc/72/68/89/737726889.db2.gz SOXJTEFAJDDLIS-HNNXBMFYSA-N 2 0 344.500 -0.004 20 0 EBADRP CC(C)[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)C ZINC001058251093 737734450 /nfs/dbraw/zinc/73/44/50/737734450.db2.gz VMBIKTSOZDTEJI-LSDHHAIUSA-N 2 0 342.484 -0.396 20 0 EBADRP C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001058607890 737920565 /nfs/dbraw/zinc/92/05/65/737920565.db2.gz SEVUZWGLABJYCW-CQSZACIVSA-N 2 0 328.457 -0.783 20 0 EBADRP C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001058610169 737921022 /nfs/dbraw/zinc/92/10/22/737921022.db2.gz BZUZVIZFKTWQIW-OAHLLOKOSA-N 2 0 342.484 -0.393 20 0 EBADRP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001058710608 737961446 /nfs/dbraw/zinc/96/14/46/737961446.db2.gz HPIJYOAYDOXDNA-HNNXBMFYSA-N 2 0 340.468 -0.783 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058710886 737961502 /nfs/dbraw/zinc/96/15/02/737961502.db2.gz SUXCZGKCHAJEGJ-ZIAGYGMSSA-N 2 0 328.457 -0.927 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)CC[NH+](C)CC ZINC001058815346 738002719 /nfs/dbraw/zinc/00/27/19/738002719.db2.gz WDXQIIUHRCNDSV-UHFFFAOYSA-N 2 0 330.473 -0.393 20 0 EBADRP CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001058815165 738003031 /nfs/dbraw/zinc/00/30/31/738003031.db2.gz OSCGTMKOHOIXHH-HNNXBMFYSA-N 2 0 342.484 -0.393 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001065177471 739581479 /nfs/dbraw/zinc/58/14/79/739581479.db2.gz GEWJGVLIZILJCM-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001065256330 739616058 /nfs/dbraw/zinc/61/60/58/739616058.db2.gz JSELJCKKAFPENI-LSDHHAIUSA-N 2 0 340.468 -0.378 20 0 EBADRP CC(C)[C@H](C(=O)N1CCO[C@H](CNC(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001065404348 739691363 /nfs/dbraw/zinc/69/13/63/739691363.db2.gz BBIAUNYSKXPOBF-GDBMZVCRSA-N 2 0 342.484 -0.132 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001065539490 739749949 /nfs/dbraw/zinc/74/99/49/739749949.db2.gz CFXRDRIXMWEWAM-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CN(C(=O)CC[NH+](C)C)CCO2)C1 ZINC001065575747 739772031 /nfs/dbraw/zinc/77/20/31/739772031.db2.gz GNCBVFMKIGUGKL-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068940751 740502323 /nfs/dbraw/zinc/50/23/23/740502323.db2.gz PYEDYAVIVDMNRT-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069013318 740523302 /nfs/dbraw/zinc/52/33/02/740523302.db2.gz NBHLUAMHBQMFEO-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001070078096 740686112 /nfs/dbraw/zinc/68/61/12/740686112.db2.gz VLDUCMWUQISEJS-MCIONIFRSA-N 2 0 334.424 -0.904 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001070197920 740745784 /nfs/dbraw/zinc/74/57/84/740745784.db2.gz BIOXEIFDAFNBBK-YJNKXOJESA-N 2 0 336.440 -0.658 20 0 EBADRP C[NH+](C)CCC(=O)NCC1(NC(=O)CC[NH+](C)C)CCOCC1 ZINC001070238786 740765023 /nfs/dbraw/zinc/76/50/23/740765023.db2.gz GGYOJZXNIUKVSV-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP CC(C)(C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)[NH+]1CCCC1 ZINC001070247839 740767664 /nfs/dbraw/zinc/76/76/64/740767664.db2.gz GMGMERZFUATFII-KGLIPLIRSA-N 2 0 336.440 -0.514 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070529309 740856173 /nfs/dbraw/zinc/85/61/73/740856173.db2.gz HZPILUQTDQDKOW-DZGCQCFKSA-N 2 0 348.451 -0.869 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001070534964 740857532 /nfs/dbraw/zinc/85/75/32/740857532.db2.gz XHHHLZMBLROFDE-OFQRWUPVSA-N 2 0 335.452 -0.219 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001070534963 740857734 /nfs/dbraw/zinc/85/77/34/740857734.db2.gz XHHHLZMBLROFDE-IJEWVQPXSA-N 2 0 335.452 -0.219 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001070535015 740857824 /nfs/dbraw/zinc/85/78/24/740857824.db2.gz ZTGOJQDXTDVCBH-KCQAQPDRSA-N 2 0 348.451 -0.869 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070563428 740864270 /nfs/dbraw/zinc/86/42/70/740864270.db2.gz CMMGEDDRHLFCDA-VNHYZAJKSA-N 2 0 348.451 -0.726 20 0 EBADRP C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)CCC[NH+](C)C ZINC001072432736 741398318 /nfs/dbraw/zinc/39/83/18/741398318.db2.gz LNTNDBFPHIAHPH-GJZGRUSLSA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001072432662 741398331 /nfs/dbraw/zinc/39/83/31/741398331.db2.gz LBFHVOIHHLDCDZ-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](C[C@H](O)Cn1cccn1)C2 ZINC001072544660 741427001 /nfs/dbraw/zinc/42/70/01/741427001.db2.gz STMVTEZECUXKEN-JKSUJKDBSA-N 2 0 347.463 -0.128 20 0 EBADRP C[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)c3ccn(CC[NH+](C)C)n3)C2)C1 ZINC001072746324 741471124 /nfs/dbraw/zinc/47/11/24/741471124.db2.gz HTFNKAJJNDEKNE-CQSZACIVSA-N 2 0 335.452 -0.027 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+]([C@H]2CCC(=O)NC2=O)C3)CC[N@@H+]1C ZINC001072752164 741473075 /nfs/dbraw/zinc/47/30/75/741473075.db2.gz XPJQDLFHAOCEMH-MCIONIFRSA-N 2 0 348.447 -0.334 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001072858880 741505191 /nfs/dbraw/zinc/50/51/91/741505191.db2.gz MCCMJEPMZDJHSU-KGLIPLIRSA-N 2 0 348.447 -0.190 20 0 EBADRP C[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](CCN2CCNC2=O)C3)CC1 ZINC001072941381 741525431 /nfs/dbraw/zinc/52/54/31/741525431.db2.gz NBYZMBWWSCKTEY-UHFFFAOYSA-N 2 0 349.479 -0.112 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)N1CCC1)C2 ZINC001072983551 741534365 /nfs/dbraw/zinc/53/43/65/741534365.db2.gz ZQXMZLGDPIIGKW-LSDHHAIUSA-N 2 0 334.464 -0.049 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC2(C1)CC[N@H+](CCN1CCNC1=O)C2 ZINC001073430543 741612942 /nfs/dbraw/zinc/61/29/42/741612942.db2.gz GZKUUTDXSXWOSU-UHFFFAOYSA-N 2 0 335.452 -0.358 20 0 EBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C)C(N)=O ZINC001074959623 742146805 /nfs/dbraw/zinc/14/68/05/742146805.db2.gz WXSHICHMJYVOED-OBJOEFQTSA-N 2 0 336.440 -0.489 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001075106401 742181592 /nfs/dbraw/zinc/18/15/92/742181592.db2.gz BYUOTYIDSLZEKS-KKUMJFAQSA-N 2 0 338.452 -0.624 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C[NH2+]Cc1nnnn1C ZINC001075364349 742217755 /nfs/dbraw/zinc/21/77/55/742217755.db2.gz ICTVFQPNHUUJAP-KGLIPLIRSA-N 2 0 335.456 -0.120 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001075619982 742262245 /nfs/dbraw/zinc/26/22/45/742262245.db2.gz VOECXTZVIZWRMB-BFHYXJOUSA-N 2 0 349.435 -0.835 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001076569524 742498767 /nfs/dbraw/zinc/49/87/67/742498767.db2.gz ZLXFFXBKHSFMRS-RRFJBIMHSA-N 2 0 348.447 -0.380 20 0 EBADRP C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001077494257 743016849 /nfs/dbraw/zinc/01/68/49/743016849.db2.gz HCAPNFGPUBSHQV-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H](C)CCNC(=O)COCC[NH+](C)C ZINC001077494195 743016980 /nfs/dbraw/zinc/01/69/80/743016980.db2.gz DNJZZJLPYLSMOA-AWEZNQCLSA-N 2 0 330.473 -0.083 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@H]2O)CC[N@@H+]1C ZINC001077571954 743085891 /nfs/dbraw/zinc/08/58/91/743085891.db2.gz ZZJZGCKQWWZZPA-XJNFMUPTSA-N 2 0 349.479 -0.146 20 0 EBADRP C[N@@H+]1C[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@H]2O)[C@@H](c2ccccc2)C1 ZINC001077708328 743190202 /nfs/dbraw/zinc/19/02/02/743190202.db2.gz CWGJMODSKLOAOT-XMTFNYHQSA-N 2 0 347.459 -0.125 20 0 EBADRP CC[C@@H](F)CN1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001077817217 743268574 /nfs/dbraw/zinc/26/85/74/743268574.db2.gz SXOKYHHFXZOYEU-RBSFLKMASA-N 2 0 341.431 -0.032 20 0 EBADRP COCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001077975260 743384258 /nfs/dbraw/zinc/38/42/58/743384258.db2.gz GXPQDWSARWLBSI-HZPDHXFCSA-N 2 0 325.453 -0.084 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[C@@H]([NH2+]CC(N)=O)C23CCC3)cn1 ZINC001078747647 743727911 /nfs/dbraw/zinc/72/79/11/743727911.db2.gz SRPFXWYLBUINRU-ZIAGYGMSSA-N 2 0 348.451 -0.439 20 0 EBADRP C[N@H+](CCN1C(=O)CCC1=O)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000980390786 805878499 /nfs/dbraw/zinc/87/84/99/805878499.db2.gz KHZQJWVLIFSXRD-KGLIPLIRSA-N 2 0 336.436 -0.380 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2CCC[C@H]([NH2+]CC(N)=O)C2)cn1 ZINC000981383208 806158362 /nfs/dbraw/zinc/15/83/62/806158362.db2.gz ZTZBABVZJRTPJP-KBPBESRZSA-N 2 0 336.440 -0.439 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000976872381 803927128 /nfs/dbraw/zinc/92/71/28/803927128.db2.gz YVGIERONHICYCH-AIANPOQGSA-N 2 0 346.475 -0.003 20 0 EBADRP O=C(NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC000978254992 804754525 /nfs/dbraw/zinc/75/45/25/804754525.db2.gz LDJUGVJKWOOPEN-NXOAAHMSSA-N 2 0 337.464 -0.084 20 0 EBADRP C[C@H](C(N)=O)[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC000978831116 804996644 /nfs/dbraw/zinc/99/66/44/804996644.db2.gz SBVSKJJUHHBXIO-NGFQHRJXSA-N 2 0 348.451 -0.774 20 0 EBADRP O=C(NC[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000978956731 805063260 /nfs/dbraw/zinc/06/32/60/805063260.db2.gz FVEQWCBKCKCGIM-APIJFGDWSA-N 2 0 332.448 -0.345 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)nc1=O ZINC000984050013 807155151 /nfs/dbraw/zinc/15/51/51/807155151.db2.gz ZSRAXMIWAKKRKC-AVGNSLFASA-N 2 0 336.440 -0.423 20 0 EBADRP C[N@H+](C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)[C@@H]1CCC(=O)NC1=O ZINC000985333546 807487203 /nfs/dbraw/zinc/48/72/03/807487203.db2.gz HLPVNTLXEXMUKY-KGLIPLIRSA-N 2 0 336.436 -0.191 20 0 EBADRP Cn1[nH]c(C[N@H+](C)C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)nc1=O ZINC000985757124 807573393 /nfs/dbraw/zinc/57/33/93/807573393.db2.gz ZDFZZEWPMMKTME-UHFFFAOYSA-N 2 0 348.451 -0.373 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCN3CCNC3=O)C2)CC1 ZINC001008408466 810157198 /nfs/dbraw/zinc/15/71/98/810157198.db2.gz YGJKEESJQPMFHW-OAHLLOKOSA-N 2 0 337.468 -0.066 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214344710 810240278 /nfs/dbraw/zinc/24/02/78/810240278.db2.gz XFYHMTMTPWREEO-RBSFLKMASA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214855334 810286133 /nfs/dbraw/zinc/28/61/33/810286133.db2.gz CPPUBNUNUCUVQH-BNOWGMLFSA-N 2 0 346.497 -0.688 20 0 EBADRP C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215067111 810305576 /nfs/dbraw/zinc/30/55/76/810305576.db2.gz KHWAAPNJDGCWLF-ZWNOBZJWSA-N 2 0 344.375 -0.421 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423172 810327074 /nfs/dbraw/zinc/32/70/74/810327074.db2.gz AORYLIXODODMNB-JHJVBQTASA-N 2 0 341.456 -0.391 20 0 EBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C)C(=O)NC(N)=O ZINC001215414399 810327370 /nfs/dbraw/zinc/32/73/70/810327370.db2.gz VYODVZCTXDBXRO-GRYCIOLGSA-N 2 0 339.440 -0.652 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215459024 810330866 /nfs/dbraw/zinc/33/08/66/810330866.db2.gz UPLAROMLMDYOLL-GRYCIOLGSA-N 2 0 327.429 -0.781 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001215463235 810331170 /nfs/dbraw/zinc/33/11/70/810331170.db2.gz NTRHRLIAAUCPRL-RBSFLKMASA-N 2 0 340.468 -0.473 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215460862 810331536 /nfs/dbraw/zinc/33/15/36/810331536.db2.gz HTJOCLKLCAZFOL-ZIAGYGMSSA-N 2 0 348.513 -0.296 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001215994166 810353919 /nfs/dbraw/zinc/35/39/19/810353919.db2.gz SOLZUXYLQFSJBD-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(OC2C[NH2+]C2)cc1)C(N)=O ZINC001218051749 810474597 /nfs/dbraw/zinc/47/45/97/810474597.db2.gz BBAYXKNQQURWJL-HOTGVXAUSA-N 2 0 348.447 -0.077 20 0 EBADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1C[C@@H]2C[NH2+]C[C@H]12 ZINC001218324222 810487627 /nfs/dbraw/zinc/48/76/27/810487627.db2.gz HLVISAZGVTUSOM-KXUCPTDWSA-N 2 0 336.392 -0.253 20 0 EBADRP Cn1c(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)nnc1C(F)(F)F ZINC001218516266 810496487 /nfs/dbraw/zinc/49/64/87/810496487.db2.gz XNVIDTOMLBUGDK-QMMMGPOBSA-N 2 0 335.334 -0.477 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1ncnn2c(Br)ccc12 ZINC001218566403 810504246 /nfs/dbraw/zinc/50/42/46/810504246.db2.gz HGUQWLWEZFPWMN-ZETCQYMHSA-N 2 0 327.186 -0.082 20 0 EBADRP CN1CCN(c2ncc(NC(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)cn2)CC1 ZINC001218579342 810507689 /nfs/dbraw/zinc/50/76/89/810507689.db2.gz CGPVKCCPFQAXSD-AWEZNQCLSA-N 2 0 333.440 -0.506 20 0 EBADRP C[NH+](C)CCC(=O)N1CCO[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@@H]21 ZINC001218600787 810509336 /nfs/dbraw/zinc/50/93/36/810509336.db2.gz NOYZUJRUAKXFBL-QLFBSQMISA-N 2 0 348.451 -0.371 20 0 EBADRP CCOC(=O)c1cccc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)n1 ZINC001218647497 810515017 /nfs/dbraw/zinc/51/50/17/810515017.db2.gz JSVFFOQZKQJLDY-GFCCVEGCSA-N 2 0 335.408 -0.053 20 0 EBADRP O=C(Nc1ncnc2c1ncn2[C@@H]1CCCO1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218644958 810515108 /nfs/dbraw/zinc/51/51/08/810515108.db2.gz ZCPRXKZJFNFSNI-QWRGUYRKSA-N 2 0 343.391 -0.117 20 0 EBADRP C[N@@H+]1C[C@H](C(=O)Nc2cnn(C3C[NH2+]C3)c2)OC2(CC[NH2+]CC2)C1 ZINC001218639852 810515173 /nfs/dbraw/zinc/51/51/73/810515173.db2.gz DSVQRQKWROYRKZ-CQSZACIVSA-N 3 0 334.424 -0.581 20 0 EBADRP [NH3+][C@@H](C(=O)Nc1cnn(CCN2CCOCC2)c1)C1CC[NH2+]CC1 ZINC001218669272 810518128 /nfs/dbraw/zinc/51/81/28/810518128.db2.gz OLLQPMWRMSOWAG-OAHLLOKOSA-N 2 0 336.440 -0.519 20 0 EBADRP O=C(Nc1ncccc1CN1CCOCC1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218698270 810521939 /nfs/dbraw/zinc/52/19/39/810521939.db2.gz HTRPSMHJYZNXBB-AWEZNQCLSA-N 2 0 331.420 -0.339 20 0 EBADRP [NH3+]C1CCN(c2ccc(NC(=O)[C@H]3NC(=O)CC34C[NH2+]C4)cn2)CC1 ZINC001218724900 810524333 /nfs/dbraw/zinc/52/43/33/810524333.db2.gz OWSBAQLQJDJVBD-OAHLLOKOSA-N 2 0 344.419 -0.574 20 0 EBADRP Nc1ncn(C(=O)C2([NH3+])CC2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218779452 810530653 /nfs/dbraw/zinc/53/06/53/810530653.db2.gz NJABMYOBJMOBRJ-IUCAKERBSA-N 2 0 340.815 -0.879 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc2c(c1)C(=O)NCCO2 ZINC001218816987 810534700 /nfs/dbraw/zinc/53/47/00/810534700.db2.gz YNPMGUWBNFHLNA-CQSZACIVSA-N 2 0 347.419 -0.502 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@H]21 ZINC001218819912 810534779 /nfs/dbraw/zinc/53/47/79/810534779.db2.gz RJFPNUJNMJPRSZ-SOUVJXGZSA-N 2 0 338.452 -0.530 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC001218857211 810536874 /nfs/dbraw/zinc/53/68/74/810536874.db2.gz YYUIVUKSKUZPQN-LBPRGKRZSA-N 2 0 330.396 -0.444 20 0 EBADRP O=C(Nc1cccc(C(=O)N2CCOCC2)c1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218850434 810537381 /nfs/dbraw/zinc/53/73/81/810537381.db2.gz MBDMJSYMIRDLSY-OAHLLOKOSA-N 2 0 344.415 -0.094 20 0 EBADRP [NH3+][C@H](C(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001218882626 810540333 /nfs/dbraw/zinc/54/03/33/810540333.db2.gz XEYPXIWCCVZEPX-INIZCTEOSA-N 3 0 345.447 -0.003 20 0 EBADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001218880564 810540533 /nfs/dbraw/zinc/54/05/33/810540533.db2.gz YXUPVSYQQPTGKT-IJEWVQPXSA-N 2 0 344.415 -0.095 20 0 EBADRP CNS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1 ZINC001218901218 810542663 /nfs/dbraw/zinc/54/26/63/810542663.db2.gz BYDJKJQDSUNRCG-VIFPVBQESA-N 2 0 348.450 -0.742 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc2c(c1)CCNC2=O ZINC001218935940 810545550 /nfs/dbraw/zinc/54/55/50/810545550.db2.gz MYJPQATUIBSDHP-HNNXBMFYSA-N 2 0 331.420 -0.339 20 0 EBADRP CCOCCN1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218965027 810549061 /nfs/dbraw/zinc/54/90/61/810549061.db2.gz CWVHQYKILHJOEQ-LSDHHAIUSA-N 2 0 329.441 -0.487 20 0 EBADRP O=C(N[C@@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001016000437 810648872 /nfs/dbraw/zinc/64/88/72/810648872.db2.gz BMJNKAAVDAHVHH-CABCVRRESA-N 2 0 333.436 -0.470 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@H]1C[NH2+]CCN1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219500445 810722821 /nfs/dbraw/zinc/72/28/21/810722821.db2.gz BCQKAMQQPQVBGY-CXAGYDPISA-N 2 0 345.403 -0.622 20 0 EBADRP COc1cc2c(cc1NC(=O)CNCCC[NH3+])NC(=O)[C@@]21CC[NH2+]C1 ZINC001219503610 810724761 /nfs/dbraw/zinc/72/47/61/810724761.db2.gz LRJFGQDVDWLCLB-QGZVFWFLSA-N 2 0 347.419 -0.245 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@H]1[NH2+]CC[C@@H]1O)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219503724 810724923 /nfs/dbraw/zinc/72/49/23/810724923.db2.gz MZCYALGLSNBMNR-RVSPLBMKSA-N 2 0 346.387 -0.460 20 0 EBADRP C[NH+](C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+] ZINC001219554281 810748842 /nfs/dbraw/zinc/74/88/42/810748842.db2.gz ZHKIHJOLQLZYRH-HNNXBMFYSA-N 2 0 331.420 -0.168 20 0 EBADRP O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219609868 810769861 /nfs/dbraw/zinc/76/98/61/810769861.db2.gz GQRNDDLYGMDPQL-KCJUWKMLSA-N 2 0 341.355 -0.826 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617918 810772976 /nfs/dbraw/zinc/77/29/76/810772976.db2.gz QPOMTLYPNWZAJJ-JUFZMCDQSA-N 2 0 332.420 -0.957 20 0 EBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001219617606 810773178 /nfs/dbraw/zinc/77/31/78/810773178.db2.gz MSSSTWZSOZNZSA-KNCOVGOOSA-N 2 0 328.432 -0.761 20 0 EBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001219622344 810775268 /nfs/dbraw/zinc/77/52/68/810775268.db2.gz SFXLGLFKGQKIKY-HGTKMLMNSA-N 2 0 328.432 -0.619 20 0 EBADRP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001033663659 810780301 /nfs/dbraw/zinc/78/03/01/810780301.db2.gz XDYWSBVZMKNHFN-OLZOCXBDSA-N 2 0 337.424 -0.977 20 0 EBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1NC2=O ZINC001219638906 810783382 /nfs/dbraw/zinc/78/33/82/810783382.db2.gz RMUQONZBKMEJAJ-GVARAGBVSA-N 2 0 332.379 -0.085 20 0 EBADRP [NH3+]C1CCN(C(=O)c2ccc(C(=O)NCCC3(O)C[NH2+]C3)cc2)CC1 ZINC001219697035 810800083 /nfs/dbraw/zinc/80/00/83/810800083.db2.gz PCBOFYMWIQMXRM-UHFFFAOYSA-N 2 0 346.431 -0.296 20 0 EBADRP [NH3+][C@@H](CCc1cc(=O)oc2cc(O)ccc12)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720328 810808140 /nfs/dbraw/zinc/80/81/40/810808140.db2.gz IJQGQNNXXMJNDE-MELADBBJSA-N 2 0 347.371 -0.399 20 0 EBADRP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219736386 810815838 /nfs/dbraw/zinc/81/58/38/810815838.db2.gz CDBCVPOODGUTQW-GJZGRUSLSA-N 2 0 347.415 -0.058 20 0 EBADRP O=C(C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21)NCc1nnc2n1CCC[NH2+]C2 ZINC001219749440 810823375 /nfs/dbraw/zinc/82/33/75/810823375.db2.gz MZWAKFJNHFEVST-UPJWGTAASA-N 2 0 334.424 -0.598 20 0 EBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1C[NH2+]CC12CCOCC2 ZINC001219750042 810823618 /nfs/dbraw/zinc/82/36/18/810823618.db2.gz VPIALMJFUYICDQ-GFCCVEGCSA-N 2 0 334.424 -0.596 20 0 EBADRP O=C(C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)NCc1nnc2n1CCC[NH2+]C2 ZINC001219750256 810824973 /nfs/dbraw/zinc/82/49/73/810824973.db2.gz ZBCHWLWKLDRSTG-SUMWQHHRSA-N 2 0 348.451 -0.064 20 0 EBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)c1ccc2c(n1)CC[NH2+]C2 ZINC001219751764 810825661 /nfs/dbraw/zinc/82/56/61/810825661.db2.gz XAKYZOYOEDRNPD-UHFFFAOYSA-N 2 0 327.392 -0.258 20 0 EBADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219770717 810835609 /nfs/dbraw/zinc/83/56/09/810835609.db2.gz DCCBMFNYUKXMRD-WMLDXEAASA-N 2 0 336.411 -0.120 20 0 EBADRP CCOC(=O)C1(C(=O)NCC[C@H]2C[NH2+]Cc3cccn3C2)C[NH2+]C1 ZINC001219787487 810839395 /nfs/dbraw/zinc/83/93/95/810839395.db2.gz FEMMGZHBAXOHMV-ZDUSSCGKSA-N 2 0 334.420 -0.134 20 0 EBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219799675 810848283 /nfs/dbraw/zinc/84/82/83/810848283.db2.gz AOVVYQPVXBXDCH-OLZOCXBDSA-N 2 0 326.441 -0.639 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219803196 810849791 /nfs/dbraw/zinc/84/97/91/810849791.db2.gz NGUMUAMQFLGONC-JHJVBQTASA-N 2 0 325.409 -0.730 20 0 EBADRP O=C(NCc1cc(=O)n2c(n1)CNCCC2)c1noc2c1C[NH2+]CC2 ZINC001219809117 810854307 /nfs/dbraw/zinc/85/43/07/810854307.db2.gz DSLXMIYLMUGZHE-UHFFFAOYSA-N 2 0 344.375 -0.700 20 0 EBADRP Cc1nn(C)cc1CN1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219811993 810855770 /nfs/dbraw/zinc/85/57/70/810855770.db2.gz GYHXCJUJHQSFFJ-CVEARBPZSA-N 2 0 335.452 -0.126 20 0 EBADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001219813456 810858627 /nfs/dbraw/zinc/85/86/27/810858627.db2.gz UYYPRAPSSPAQLH-LESCRADOSA-N 2 0 348.447 -0.032 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219818811 810860266 /nfs/dbraw/zinc/86/02/66/810860266.db2.gz OOXCUGYHYAJYJV-ZACQAIPSSA-N 3 0 331.464 -0.044 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219817012 810860481 /nfs/dbraw/zinc/86/04/81/810860481.db2.gz UIQSABQLWWFPBK-HIFRSBDPSA-N 2 0 340.449 -0.574 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219836628 810870730 /nfs/dbraw/zinc/87/07/30/810870730.db2.gz BCHMNBBBOZAATB-DZKIICNBSA-N 3 0 328.457 -0.656 20 0 EBADRP O=C(COC1CC[NH2+]CC1)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219836741 810870744 /nfs/dbraw/zinc/87/07/44/810870744.db2.gz DLDJCJCHFQCJCU-CJNGLKHVSA-N 2 0 327.425 -0.734 20 0 EBADRP [NH3+][C@H](C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)C1CCC(O)CC1 ZINC001219839150 810872060 /nfs/dbraw/zinc/87/20/60/810872060.db2.gz XUQYOZJZTYGRJS-UBIAHUHOSA-N 2 0 341.452 -0.624 20 0 EBADRP N[C@@H](C[NH3+])c1ccc(C(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)cc1 ZINC001219844975 810874966 /nfs/dbraw/zinc/87/49/66/810874966.db2.gz STSPMCCYLUUMMW-QANKJYHBSA-N 2 0 348.447 -0.230 20 0 EBADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001219854592 810881199 /nfs/dbraw/zinc/88/11/99/810881199.db2.gz MGJRWYSXDLYBSC-CLWVCHIJSA-N 2 0 334.420 -0.281 20 0 EBADRP [NH3+]CCNC(=O)c1cccc(S(=O)(=O)NC2CC[NH2+]CC2)c1 ZINC001219876571 810891952 /nfs/dbraw/zinc/89/19/52/810891952.db2.gz XQHJHJZXENOLHJ-UHFFFAOYSA-N 2 0 326.422 -0.595 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H](O)COc1ccccc1 ZINC001219919107 810906761 /nfs/dbraw/zinc/90/67/61/810906761.db2.gz XUCUPBXDZMJEMB-ZBFHGGJFSA-N 2 0 336.436 -0.707 20 0 EBADRP O=C(NCc1cccnc1C1CC[NH2+]CC1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219929714 810912583 /nfs/dbraw/zinc/91/25/83/810912583.db2.gz QCMWFLRXTRKVCR-OAHLLOKOSA-N 2 0 345.447 -0.505 20 0 EBADRP O=C(NCCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)c1ccncc1 ZINC001219936550 810914701 /nfs/dbraw/zinc/91/47/01/810914701.db2.gz JCYNNUZYTKNUJO-AWEZNQCLSA-N 2 0 331.420 -0.198 20 0 EBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCCC[NH2+]C1CCCCC1 ZINC001219954920 810924493 /nfs/dbraw/zinc/92/44/93/810924493.db2.gz YINUPWQXOLLUDD-AAEUAGOBSA-N 2 0 341.456 -0.878 20 0 EBADRP C[NH+]1CCN(c2cccc(CNC(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)c2)CC1 ZINC001219959543 810925491 /nfs/dbraw/zinc/92/54/91/810925491.db2.gz YLXPPQBSCINUQO-KRWDZBQOSA-N 3 0 343.475 -0.136 20 0 EBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001219999139 810940343 /nfs/dbraw/zinc/94/03/43/810940343.db2.gz LDOVABNYLWROKV-CWRNSKLLSA-N 2 0 348.447 -0.236 20 0 EBADRP COC(=O)C1(NC(=O)C2CCN([C@@H]3CC[NH2+]C3)CC2)CC[NH2+]CC1 ZINC001220001532 810942383 /nfs/dbraw/zinc/94/23/83/810942383.db2.gz RRNBGPZUGOKRMZ-CQSZACIVSA-N 2 0 338.452 -0.528 20 0 EBADRP CC(C)(CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C(N)=O ZINC001220032955 810955785 /nfs/dbraw/zinc/95/57/85/810955785.db2.gz FGKMYRQFDGDZKD-RYUDHWBXSA-N 2 0 341.456 -0.939 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCCc1cc[nH]n1 ZINC001220062041 810965787 /nfs/dbraw/zinc/96/57/87/810965787.db2.gz KNSMBDDGSAFXRT-KBPBESRZSA-N 2 0 336.440 -0.484 20 0 EBADRP N=C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])SCC[NH3+] ZINC001220106160 810984926 /nfs/dbraw/zinc/98/49/26/810984926.db2.gz CSTSMGYJEAAFFB-QWRGUYRKSA-N 3 0 344.485 -0.823 20 0 EBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220320409 811055072 /nfs/dbraw/zinc/05/50/72/811055072.db2.gz NHFJVEOUUNSNJN-LMWOUKEDSA-N 2 0 326.441 -0.497 20 0 EBADRP [NH3+][C@H](C(=O)NCc1ccc(N2CCOCC2)nn1)C1CC[NH2+]CC1 ZINC001220389965 811089315 /nfs/dbraw/zinc/08/93/15/811089315.db2.gz IUNPNLQAARQLDS-HNNXBMFYSA-N 2 0 334.424 -0.744 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1ncc(Br)[nH]c1=O ZINC001220398881 811093540 /nfs/dbraw/zinc/09/35/40/811093540.db2.gz QGBFFXMIPGWAME-YFKPBYRVSA-N 2 0 336.215 -0.510 20 0 EBADRP O=C(NC[C@H]1COCC[NH2+]1)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1 ZINC001220432160 811105467 /nfs/dbraw/zinc/10/54/67/811105467.db2.gz ZFAYPUHZEMMXTJ-SMDDNHRTSA-N 2 0 346.391 -0.892 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001220431915 811105706 /nfs/dbraw/zinc/10/57/06/811105706.db2.gz SRZHHRIPNHVPCT-SJORKVTESA-N 2 0 344.459 -0.187 20 0 EBADRP NC(=[NH2+])N(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccc(N2CCOCC2)cc1 ZINC001220460793 811116571 /nfs/dbraw/zinc/11/65/71/811116571.db2.gz YUDSSEHCQIZMIO-ZIAGYGMSSA-N 2 0 333.392 -0.528 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)C[C@@H]1O ZINC001220585042 811167639 /nfs/dbraw/zinc/16/76/39/811167639.db2.gz UWLVMISZBKIURA-OAGGEKHMSA-N 2 0 345.484 -0.477 20 0 EBADRP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220638243 811184603 /nfs/dbraw/zinc/18/46/03/811184603.db2.gz XXWGNXQBWUTEGN-YUELXQCFSA-N 2 0 329.441 -0.707 20 0 EBADRP [NH3+]CCOCCOCC(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220651456 811188622 /nfs/dbraw/zinc/18/86/22/811188622.db2.gz KZKHZFRAIQLTHR-UHFFFAOYSA-N 2 0 336.436 -0.296 20 0 EBADRP CS(=O)(=O)c1ccccc1CNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220683233 811200867 /nfs/dbraw/zinc/20/08/67/811200867.db2.gz LXMNWJFUQGTZMC-CZUORRHYSA-N 2 0 337.445 -0.095 20 0 EBADRP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764596 811233375 /nfs/dbraw/zinc/23/33/75/811233375.db2.gz PUCFZCAGBYZSTB-CABCVRRESA-N 2 0 331.457 -0.459 20 0 EBADRP COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220770195 811236070 /nfs/dbraw/zinc/23/60/70/811236070.db2.gz VOPMRFLGRYNHSI-KGLIPLIRSA-N 2 0 349.435 -0.505 20 0 EBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220789335 811243519 /nfs/dbraw/zinc/24/35/19/811243519.db2.gz KMWUCVRTCDDNEZ-MJBXVCDLSA-N 2 0 334.424 -0.376 20 0 EBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220789055 811243701 /nfs/dbraw/zinc/24/37/01/811243701.db2.gz IYQVEOCWTSRZMV-YCPHGPKFSA-N 2 0 331.420 -0.202 20 0 EBADRP [NH3+][C@H]1CCCCN(CC(=O)N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)C1=O ZINC001220806091 811248152 /nfs/dbraw/zinc/24/81/52/811248152.db2.gz XSKPMMMZWRSSOP-OUAUKWLOSA-N 2 0 336.358 -0.017 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2CCCN([C@H]3CC[NH2+]C3)C2)C[NH2+]C1 ZINC001220828541 811258468 /nfs/dbraw/zinc/25/84/68/811258468.db2.gz QHPQMSZXFJADNI-OLZOCXBDSA-N 2 0 336.436 -0.403 20 0 EBADRP CCOC(=O)C1(NC(=O)[C@H]2Cn3ccnc3C23CC[NH2+]CC3)C[NH2+]C1 ZINC001220848848 811266279 /nfs/dbraw/zinc/26/62/79/811266279.db2.gz KKKRVPOCHNJHMH-GFCCVEGCSA-N 2 0 347.419 -0.845 20 0 EBADRP N[C@]1(C(=O)n2cc(Br)ccc2=NCC[NH3+])CCC[NH2+]C1 ZINC001220870916 811276624 /nfs/dbraw/zinc/27/66/24/811276624.db2.gz QZQXGSAIZKCPCF-CYBMUJFWSA-N 2 0 342.241 -0.169 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001220968923 811316389 /nfs/dbraw/zinc/31/63/89/811316389.db2.gz IEZGECKEWBZEOR-OAHLLOKOSA-N 3 0 347.463 -0.311 20 0 EBADRP [NH3+]CCNCC(=O)N1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001220971272 811317683 /nfs/dbraw/zinc/31/76/83/811317683.db2.gz ZMPFUOCHFZFYHU-UHFFFAOYSA-N 2 0 333.436 -0.829 20 0 EBADRP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985728 811325160 /nfs/dbraw/zinc/32/51/60/811325160.db2.gz CZYSGMJVEZJMSX-OAGGEKHMSA-N 2 0 343.468 -0.457 20 0 EBADRP O=C(NC1CN(c2ncnc3ccccc32)C1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220985322 811326089 /nfs/dbraw/zinc/32/60/89/811326089.db2.gz RBDMQVUSOIIDFK-AWEZNQCLSA-N 2 0 338.415 -0.256 20 0 EBADRP CCc1nnc2ccc(CNC(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)cn21 ZINC001220992119 811330455 /nfs/dbraw/zinc/33/04/55/811330455.db2.gz FCXCZCZGHDFSDI-CQSZACIVSA-N 2 0 345.451 -0.342 20 0 EBADRP [NH3+][C@H](C(=O)NCc1cccc(N2CCOCC2=O)c1)C1CC[NH2+]CC1 ZINC001220990491 811331083 /nfs/dbraw/zinc/33/10/83/811331083.db2.gz NYPWRXPZVNFXIS-KRWDZBQOSA-N 2 0 346.431 -0.007 20 0 EBADRP COCCC1(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CCS(=O)(=O)CC1 ZINC001221025911 811351072 /nfs/dbraw/zinc/35/10/72/811351072.db2.gz LXMIDCPRPKGWTH-CYBMUJFWSA-N 2 0 347.481 -0.587 20 0 EBADRP COCCC1(NC(=O)[C@@H]([NH3+])CCCC[NH3+])CCS(=O)(=O)CC1 ZINC001221025768 811351637 /nfs/dbraw/zinc/35/16/37/811351637.db2.gz GSFSKBKDGOYOBD-LBPRGKRZSA-N 2 0 335.470 -0.457 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)C23CC[NH+](CC2)C3)nc1=O ZINC001037116569 811369576 /nfs/dbraw/zinc/36/95/76/811369576.db2.gz DGAKWZUDXLMJJI-STQMWFEESA-N 2 0 348.451 -0.421 20 0 EBADRP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001221114382 811383352 /nfs/dbraw/zinc/38/33/52/811383352.db2.gz XNTDBLONVZJJTA-RDTXWAMCSA-N 2 0 329.448 -0.230 20 0 EBADRP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221116094 811383900 /nfs/dbraw/zinc/38/39/00/811383900.db2.gz LKGMFZUYAUWIJF-CABCVRRESA-N 2 0 346.431 -0.030 20 0 EBADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221116096 811383992 /nfs/dbraw/zinc/38/39/92/811383992.db2.gz LKGMFZUYAUWIJF-HUUCEWRRSA-N 2 0 346.431 -0.030 20 0 EBADRP O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001221121328 811384280 /nfs/dbraw/zinc/38/42/80/811384280.db2.gz ASFCPVMALIMFDA-CQSZACIVSA-N 2 0 329.404 -0.745 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001221188020 811409958 /nfs/dbraw/zinc/40/99/58/811409958.db2.gz MQBCBSFBLSUKBJ-HEHGZKQESA-N 2 0 327.425 -0.068 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)C1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001221190701 811412259 /nfs/dbraw/zinc/41/22/59/811412259.db2.gz YVRCLNTYPMFNCM-KBPBESRZSA-N 2 0 326.441 -0.543 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)C1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001221190702 811412597 /nfs/dbraw/zinc/41/25/97/811412597.db2.gz YVRCLNTYPMFNCM-KGLIPLIRSA-N 2 0 326.441 -0.543 20 0 EBADRP COC(=O)c1ccc([C@H](CO)NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)cc1 ZINC001221365912 811446452 /nfs/dbraw/zinc/44/64/52/811446452.db2.gz LCNHRPBPSMVQND-KBPBESRZSA-N 2 0 333.388 -0.568 20 0 EBADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC(C2=CC=C(N)C[NH2+]2)CC1 ZINC001221391179 811449355 /nfs/dbraw/zinc/44/93/55/811449355.db2.gz CNQVCGHNOWQORV-GDBMZVCRSA-N 2 0 334.420 -0.294 20 0 EBADRP C[NH+](C)CC1CCC(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001221403442 811450759 /nfs/dbraw/zinc/45/07/59/811450759.db2.gz SOUNXEZBRZGCBU-BCLQGDPASA-N 3 0 325.501 -0.027 20 0 EBADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)[C@H](C)C1 ZINC001221408517 811452394 /nfs/dbraw/zinc/45/23/94/811452394.db2.gz JYTFNPCXDUEEAJ-VNQPRFMTSA-N 3 0 325.501 -0.028 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787447 811534801 /nfs/dbraw/zinc/53/48/01/811534801.db2.gz RNZFLGUYJSQYKN-OWCLPIDISA-N 2 0 325.453 -0.132 20 0 EBADRP CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001079493983 811561308 /nfs/dbraw/zinc/56/13/08/811561308.db2.gz NYTBSISBXOTAAH-OAHLLOKOSA-N 2 0 340.468 -0.282 20 0 EBADRP [NH3+]CCNC(=O)c1cccc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c1 ZINC001222100006 811596265 /nfs/dbraw/zinc/59/62/65/811596265.db2.gz PXSGBXKCXSXHOZ-UHFFFAOYSA-N 3 0 331.464 -0.098 20 0 EBADRP C[NH+](C)CCC(=O)NCC1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC001224338155 811757640 /nfs/dbraw/zinc/75/76/40/811757640.db2.gz SCOXMKGQBLUUNG-UHFFFAOYSA-N 2 0 340.468 -0.375 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001225154706 811795843 /nfs/dbraw/zinc/79/58/43/811795843.db2.gz GAAIFCSOQHPKAM-AWEZNQCLSA-N 2 0 326.441 -0.719 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001225346589 811803978 /nfs/dbraw/zinc/80/39/78/811803978.db2.gz OKPFVEYAZOBCAZ-UTUOFQBUSA-N 2 0 325.413 -0.708 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001226801193 811884827 /nfs/dbraw/zinc/88/48/27/811884827.db2.gz UXSGUCXIEAHQNS-YRGRVCCFSA-N 2 0 339.440 -0.462 20 0 EBADRP CCN(C(=O)COCC[NH+](C)C)C1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001080138940 811913374 /nfs/dbraw/zinc/91/33/74/811913374.db2.gz UKTJNTBJKHVOQV-OAHLLOKOSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C)C(=O)NC(N)=O ZINC001228255033 811971130 /nfs/dbraw/zinc/97/11/30/811971130.db2.gz NGWFRQPRQCNQOX-JHJVBQTASA-N 2 0 341.456 -0.071 20 0 EBADRP C[C@H](COCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O)[NH+]1CCCC1 ZINC001228669561 811993293 /nfs/dbraw/zinc/99/32/93/811993293.db2.gz SMYRBRATCRBYIJ-RBSFLKMASA-N 2 0 340.468 -0.010 20 0 EBADRP C[NH+](C)CCCC(=O)NC1CC[NH+](CCN2CCNC2=O)CC1 ZINC001228904714 812004443 /nfs/dbraw/zinc/00/44/43/812004443.db2.gz UVAPRVDOSLETCE-UHFFFAOYSA-N 2 0 325.457 -0.066 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001229238707 812022111 /nfs/dbraw/zinc/02/21/11/812022111.db2.gz SPMIJYVJJVUOSF-ZIAGYGMSSA-N 2 0 348.513 -0.106 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001229717244 812050670 /nfs/dbraw/zinc/05/06/70/812050670.db2.gz OSIYEFGIWFTCCB-VXGBXAGGSA-N 2 0 337.424 -0.706 20 0 EBADRP CC[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C)C(N)=O ZINC001229716003 812051019 /nfs/dbraw/zinc/05/10/19/812051019.db2.gz FVOIFLJZYDEKBS-BFHYXJOUSA-N 2 0 328.457 -0.155 20 0 EBADRP CNC(=O)[C@H](C)[NH+]1CCC(NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001229806319 812056525 /nfs/dbraw/zinc/05/65/25/812056525.db2.gz BOUGXXADLWFPSU-ZDUSSCGKSA-N 2 0 340.468 -0.188 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001230138202 812079541 /nfs/dbraw/zinc/07/95/41/812079541.db2.gz JXDPCJJXSRBPHH-JHJVBQTASA-N 2 0 339.440 -0.589 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)C1 ZINC001230138259 812079743 /nfs/dbraw/zinc/07/97/43/812079743.db2.gz MCYRAJNTWOCQEW-QJPTWQEYSA-N 2 0 325.413 -0.850 20 0 EBADRP COCCOC[C@@H](O)C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001230262787 812093550 /nfs/dbraw/zinc/09/35/50/812093550.db2.gz SBSJXCKDGJRSHP-HOCLYGCPSA-N 2 0 343.468 -0.457 20 0 EBADRP c1nc2n(c1CN1CCCO[C@@]3(C[NH2+]CCOC3)C1)CC[NH2+]CC2 ZINC001235199080 812474314 /nfs/dbraw/zinc/47/43/14/812474314.db2.gz FXKDFQJWQPYUCR-KRWDZBQOSA-N 2 0 335.452 -0.390 20 0 EBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](CCCCO)CC2 ZINC001235569330 812498379 /nfs/dbraw/zinc/49/83/79/812498379.db2.gz OIAIDJBZQWSEFA-UHFFFAOYSA-N 2 0 326.485 -0.071 20 0 EBADRP c1ncn(-c2ccccc2CN2CC[NH2+]CCNCC[NH2+]CC2)n1 ZINC001235869535 812513852 /nfs/dbraw/zinc/51/38/52/812513852.db2.gz CFPZHIAQOWBMHG-UHFFFAOYSA-N 2 0 329.452 -0.148 20 0 EBADRP COC(=O)[C@H]1C[C@@H]([NH3+])CN(Cc2ccc(N3CC[NH2+]CC3)nc2)C1 ZINC001235776095 812513896 /nfs/dbraw/zinc/51/38/96/812513896.db2.gz NUXRPHWLVMPDLO-LSDHHAIUSA-N 2 0 333.436 -0.187 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccc(-n2cncn2)cc1 ZINC001236307222 812515474 /nfs/dbraw/zinc/51/54/74/812515474.db2.gz DJQYDJVAZAPKGJ-UHFFFAOYSA-N 2 0 345.451 -0.117 20 0 EBADRP COc1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])nc1OC ZINC001236309191 812516587 /nfs/dbraw/zinc/51/65/87/812516587.db2.gz KNJLDTXADNWMRD-UHFFFAOYSA-N 2 0 339.440 -0.285 20 0 EBADRP COc1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cc(OC)n1 ZINC001236312538 812516952 /nfs/dbraw/zinc/51/69/52/812516952.db2.gz XDQSVYVUJWIDST-UHFFFAOYSA-N 2 0 339.440 -0.285 20 0 EBADRP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CC[C@H](N4CCC([NH3+])CC4)C3)[C@@H](O)[C@@H]2O1 ZINC001236622408 812518528 /nfs/dbraw/zinc/51/85/28/812518528.db2.gz NMDABIGZKMALOG-QMHWVQJVSA-N 2 0 341.452 -0.279 20 0 EBADRP C(C[N@H+](CCN1CCOCC1)CC1CC[NH2+]CC1)[C@H]1C[NH2+]CCO1 ZINC001236399752 812518749 /nfs/dbraw/zinc/51/87/49/812518749.db2.gz QNWDUXUHOKIVBS-SFHVURJKSA-N 3 0 340.512 -0.001 20 0 EBADRP [NH3+]CCS(=O)(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001237630794 812522086 /nfs/dbraw/zinc/52/20/86/812522086.db2.gz XZHGBLOEXNKDJC-UHFFFAOYSA-N 2 0 328.438 -0.499 20 0 EBADRP CCOC(=O)[C@H]1[NH2+]C[C@@H]2[C@H](NS(=O)(=O)[C@@H]3CC[NH2+]C3)CC[C@@H]21 ZINC001238324699 812525032 /nfs/dbraw/zinc/52/50/32/812525032.db2.gz MCKZUNOFOSLHNG-SJHCENCUSA-N 2 0 331.438 -0.803 20 0 EBADRP O=S(=O)(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)C1CC[NH2+]CC1 ZINC001238326354 812526467 /nfs/dbraw/zinc/52/64/67/812526467.db2.gz KOOOKAZHMZHEQQ-TZMCWYRMSA-N 2 0 333.454 -0.947 20 0 EBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCOC[C@]2(C[NH2+]CCO2)C1 ZINC001238999513 812539036 /nfs/dbraw/zinc/53/90/36/812539036.db2.gz JOGDCBAGCFNCAU-AWEZNQCLSA-N 2 0 333.454 -0.993 20 0 EBADRP CN(C)C(=O)C1CC[NH+](C2CCN(S(=O)(=O)CC[NH3+])CC2)CC1 ZINC001239083027 812543888 /nfs/dbraw/zinc/54/38/88/812543888.db2.gz VHLNKORIXQIAPY-UHFFFAOYSA-N 2 0 346.497 -0.461 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(S(=O)(=O)CC1CC[NH2+]CC1)CC2 ZINC001239173557 812549791 /nfs/dbraw/zinc/54/97/91/812549791.db2.gz SMMRHERLQWYSID-DZGCQCFKSA-N 2 0 345.465 -0.457 20 0 EBADRP COC(=O)[C@@H](NC(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])C(C)C ZINC001239298929 812551784 /nfs/dbraw/zinc/55/17/84/812551784.db2.gz HMJRQOQFMVPDPO-ZDUSSCGKSA-N 2 0 345.444 -0.991 20 0 EBADRP NS(=O)(=O)c1ccc(NC(=S)NCCC[NH2+]CCC[NH3+])cc1 ZINC001239397320 812551928 /nfs/dbraw/zinc/55/19/28/812551928.db2.gz ZSYARVYHUIWEPV-UHFFFAOYSA-N 2 0 345.494 -0.051 20 0 EBADRP c1nn(C2C[NH2+]C2)cc1-c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001241596584 812553018 /nfs/dbraw/zinc/55/30/18/812553018.db2.gz IYWGZWFBXXYKQX-UHFFFAOYSA-N 2 0 327.392 -0.076 20 0 EBADRP O[C@H](CNc1ccc(N2CC[NH2+]CC2)nc1)CC1(O)CC[NH2+]CC1 ZINC001245957416 812556196 /nfs/dbraw/zinc/55/61/96/812556196.db2.gz STACHEPZTNVKSI-HNNXBMFYSA-N 2 0 335.452 -0.231 20 0 EBADRP O[C@@H](C[NH2+][C@@H]1CCOC2(CC[NH2+]CC2)C1)CC1(O)CC[NH2+]CC1 ZINC001245993344 812558003 /nfs/dbraw/zinc/55/80/03/812558003.db2.gz JFVVROGJSOIROW-HUUCEWRRSA-N 3 0 327.469 -0.257 20 0 EBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@H](O)COCC(F)(F)C(F)F ZINC001246005081 812558642 /nfs/dbraw/zinc/55/86/42/812558642.db2.gz CWYKRPOYZHIJSF-IUCAKERBSA-N 2 0 333.326 -0.163 20 0 EBADRP O[C@H](C[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)CC1(O)CC[NH2+]CC1 ZINC001245991016 812558703 /nfs/dbraw/zinc/55/87/03/812558703.db2.gz AXVIEWOPQNORMA-LSDHHAIUSA-N 3 0 327.469 -0.400 20 0 EBADRP O[C@H](C[NH2+][C@H]1CCN(C2CC[NH2+]CC2)C1)CC1(O)CC[NH2+]CC1 ZINC001246007454 812559054 /nfs/dbraw/zinc/55/90/54/812559054.db2.gz UALISJYDRCEANF-HOCLYGCPSA-N 3 0 326.485 -0.732 20 0 EBADRP O[C@@H](CN1CCOC[C@@]2(CCC[NH2+]C2)C1)CC1(O)CC[NH2+]CC1 ZINC001246025546 812559642 /nfs/dbraw/zinc/55/96/42/812559642.db2.gz LAPVZTHXPHLRGH-HZPDHXFCSA-N 2 0 327.469 -0.446 20 0 EBADRP COCCC[N@H+](C[C@H](O)CC1(O)CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001246044027 812560514 /nfs/dbraw/zinc/56/05/14/812560514.db2.gz FCBOOPPJVGMKNQ-MRXNPFEDSA-N 3 0 329.485 -0.058 20 0 EBADRP CCOC(=O)[C@@]12C[N@H+](CC3(O)CC[NH2+]CC3)C[C@@H]1CC[NH2+]CC2 ZINC001246034281 812560935 /nfs/dbraw/zinc/56/09/35/812560935.db2.gz LDOVMSNVMJIPMI-YOEHRIQHSA-N 3 0 325.453 -0.034 20 0 EBADRP [NH3+]CCN(CC[NH3+])C[C@@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001246052105 812561134 /nfs/dbraw/zinc/56/11/34/812561134.db2.gz BQXMJKPTZJXSEW-CABCVRRESA-N 2 0 340.378 -0.274 20 0 EBADRP O[C@H](C[N@@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3)CC1(O)CC[NH2+]CC1 ZINC001246038042 812561407 /nfs/dbraw/zinc/56/14/07/812561407.db2.gz UINREDYBLUGPLG-LJIGWXMPSA-N 3 0 325.453 -0.695 20 0 EBADRP C[NH+](C)CCN(C[C@H](O)CC1(O)CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001246061193 812562026 /nfs/dbraw/zinc/56/20/26/812562026.db2.gz XMQBKNNDABECRM-MRXNPFEDSA-N 3 0 328.501 -0.533 20 0 EBADRP [NH3+][C@H]1CCN(C2CC[NH+](C[C@@H](O)CC3(O)CC[NH2+]CC3)CC2)C1 ZINC001246070698 812563131 /nfs/dbraw/zinc/56/31/31/812563131.db2.gz OYKMSTKIEJBVSQ-HOCLYGCPSA-N 3 0 326.485 -0.651 20 0 EBADRP CC[C@@]1(C(=O)OC)C[C@@H]([NH2+]CC2(C(=O)OC)CC[NH2+]CC2)CN1 ZINC001246095918 812565144 /nfs/dbraw/zinc/56/51/44/812565144.db2.gz GZBCNPJVJCZRJH-WBMJQRKESA-N 2 0 327.425 -0.198 20 0 EBADRP O=C([C@@H]1C[C@@H]([NH2+]C[C@H]2COC3(C[NH2+]C3)C2)CN1)N1CCSC1 ZINC001246133409 812566234 /nfs/dbraw/zinc/56/62/34/812566234.db2.gz JCPHYECNBDPVQY-XQQFMLRXSA-N 2 0 326.466 -0.782 20 0 EBADRP COC(=O)C1C[C@@H]2CC(NCc3nnc4n3CCC[NH2+]C4)C[C@H](C1)[NH2+]2 ZINC001246136701 812566279 /nfs/dbraw/zinc/56/62/79/812566279.db2.gz SDLFOQJEIZVAQD-LLZFXZEUSA-N 2 0 348.451 -0.067 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)CCN1 ZINC001246140556 812566294 /nfs/dbraw/zinc/56/62/94/812566294.db2.gz ACEVIMIWOYIPKR-QSJFSLAZSA-N 2 0 341.452 -0.345 20 0 EBADRP O=C([C@@H]1C[C@H]([NH2+][C@H]2CCO[C@]3(CC[NH2+]C3)C2)CN1)N1CCSC1 ZINC001246151139 812567434 /nfs/dbraw/zinc/56/74/34/812567434.db2.gz ZACQACAAUDIXAY-RZLSGREXSA-N 2 0 340.493 -0.250 20 0 EBADRP O=C([C@@H]1C[C@H](N[C@@H]2CO[C@]3(CC[NH2+]C3)C2)C[NH2+]1)N1CCSC1 ZINC001246152926 812567555 /nfs/dbraw/zinc/56/75/55/812567555.db2.gz NZMSIZRDNXQFEB-PWNZVWSESA-N 2 0 326.466 -0.640 20 0 EBADRP [NH3+]CCCOCCOCCOCCC[NH2+][C@@H]1CCOC2(C[NH2+]C2)C1 ZINC001246201103 812568368 /nfs/dbraw/zinc/56/83/68/812568368.db2.gz FBUDCYLORGJHAK-MRXNPFEDSA-N 3 0 345.484 -0.114 20 0 EBADRP CCOC(=O)CC1(N[C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[NH2+]C1 ZINC001246247387 812569117 /nfs/dbraw/zinc/56/91/17/812569117.db2.gz GJXDLWAWDOXNMN-NEPJUHHUSA-N 2 0 342.465 -0.865 20 0 EBADRP O=C([C@@H]1C[C@@H]([NH2+]C[C@@H](O)C2CC[NH2+]CC2)CN1)N1CCSC1 ZINC001246225251 812569777 /nfs/dbraw/zinc/56/97/77/812569777.db2.gz DMFUPYWGFBQRRP-HZSPNIEDSA-N 2 0 328.482 -0.800 20 0 EBADRP CCOC(=O)C1(C[NH2+][C@@H]2CCN[C@H](C(=O)OC)C2)CC[NH2+]CC1 ZINC001246319120 812571081 /nfs/dbraw/zinc/57/10/81/812571081.db2.gz LMHUDCLJDRHFHH-OLZOCXBDSA-N 2 0 327.425 -0.198 20 0 EBADRP COC(=O)C1C[C@@H]2CC([NH2+]CCCC[C@H]([NH3+])C(N)=O)C[C@H](C1)[NH2+]2 ZINC001246413036 812571755 /nfs/dbraw/zinc/57/17/55/812571755.db2.gz FHHRZNTWXIWUGL-LFGDDXOXSA-N 3 0 326.441 -0.369 20 0 EBADRP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1[C@H]1CCC[NH2+]C1 ZINC001246482207 812573788 /nfs/dbraw/zinc/57/37/88/812573788.db2.gz LTMQYUVCCAHJHG-UBHSHLNASA-N 2 0 334.424 -0.846 20 0 EBADRP [NH3+]C[C@]1(O)CCCN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC1 ZINC001246543451 812574584 /nfs/dbraw/zinc/57/45/84/812574584.db2.gz NITKBEFYLAINNP-IPYPFGDCSA-N 2 0 328.482 -0.575 20 0 EBADRP COC(=O)[C@@H]1C[C@H]([NH+]2CCC(C(=O)N3CC[NH2+]CC3)CC2)CCN1 ZINC001246671448 812580763 /nfs/dbraw/zinc/58/07/63/812580763.db2.gz FYBNBROTKOZTTJ-CABCVRRESA-N 2 0 338.452 -0.576 20 0 EBADRP Cn1cc(C[C@@H]2[NH2+]CC[C@H]2N([C@@H]2CCC[NH2+]C2)S(C)(=O)=O)cn1 ZINC001246696041 812582052 /nfs/dbraw/zinc/58/20/52/812582052.db2.gz PFWVYJCXWDRDFA-QLFBSQMISA-N 2 0 341.481 -0.293 20 0 EBADRP Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CC[N@@H+]3[C@@H]2CCNC3(C[NH2+]C3)C2)cn1 ZINC001246723970 812583009 /nfs/dbraw/zinc/58/30/09/812583009.db2.gz SDZQDTRXSLKQPN-OAGGEKHMSA-N 2 0 344.463 -0.197 20 0 EBADRP O=C(CC1CC1)N[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2COC[C@H]12 ZINC001246719467 812583742 /nfs/dbraw/zinc/58/37/42/812583742.db2.gz HBKMMCLGZDUFQN-ZJIFWQFVSA-N 2 0 334.464 -0.304 20 0 EBADRP CC(=O)NCc1nnn2c1C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246739204 812585107 /nfs/dbraw/zinc/58/51/07/812585107.db2.gz QDJSIRVOPGMECD-CYBMUJFWSA-N 2 0 333.440 -0.786 20 0 EBADRP COC(=O)[C@@H]1C[C@H](C(=O)OC)C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246823129 812589237 /nfs/dbraw/zinc/58/92/37/812589237.db2.gz NLJNEUFGCNZSLI-FRRDWIJNSA-N 2 0 325.409 -0.636 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+]([C@H]3CCS(=O)(=O)C3)C[C@H]1C2 ZINC001246865925 812591774 /nfs/dbraw/zinc/59/17/74/812591774.db2.gz DGOUAACAKTUANY-KDBYPZKRSA-N 2 0 328.434 -0.496 20 0 EBADRP CC(C)S(=O)(=O)N([C@@H]1CCNC2(C[NH2+]C2)C1)[C@H]1CCC[NH2+]C1 ZINC001246966525 812593954 /nfs/dbraw/zinc/59/39/54/812593954.db2.gz YLXQREJNKWGRHH-KGLIPLIRSA-N 2 0 330.498 -0.127 20 0 EBADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@@H]1CC[NH2+]C2(CCC2)C1)O3 ZINC001247009101 812596100 /nfs/dbraw/zinc/59/61/00/812596100.db2.gz KBLDGTWDZQICGX-CXTNEJHOSA-N 2 0 327.450 -0.194 20 0 EBADRP CCOC(=O)[C@@H]1C[N@@H+]([C@H]2CN[C@H](C(=O)OC)C2)CCC12C[NH2+]C2 ZINC001247008118 812596144 /nfs/dbraw/zinc/59/61/44/812596144.db2.gz LRNOKBYRTOBWEG-AGIUHOORSA-N 2 0 325.409 -0.636 20 0 EBADRP CCOC(=O)[C@@H]1C[N@@H+]([C@@H]2CCN[C@H](C(=O)OC)C2)CCC12C[NH2+]C2 ZINC001247006371 812596235 /nfs/dbraw/zinc/59/62/35/812596235.db2.gz JAHWRWJSJMMHKA-RDBSUJKOSA-N 2 0 339.436 -0.245 20 0 EBADRP CCOC[C@H](O)C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001252024679 812641910 /nfs/dbraw/zinc/64/19/10/812641910.db2.gz PODCPWSIZAZRLI-BZUAXINKSA-N 2 0 343.468 -0.505 20 0 EBADRP [NH3+]CCC(=O)CCC(=O)CCC(=O)CC[NH2+][C@H]1CCS(=O)(=O)C1 ZINC001254324571 812699763 /nfs/dbraw/zinc/69/97/63/812699763.db2.gz NDLJYIORPPQMII-LBPRGKRZSA-N 2 0 346.449 -0.230 20 0 EBADRP C[N@@H+]1CC[C@H](N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)C1 ZINC001255433154 812713752 /nfs/dbraw/zinc/71/37/52/812713752.db2.gz WHSACXYOCCWXTP-LBPRGKRZSA-N 2 0 327.454 -0.506 20 0 EBADRP C[N@@H+]1CCC[C@@H](N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)C1 ZINC001255491379 812715896 /nfs/dbraw/zinc/71/58/96/812715896.db2.gz XVCSZTSTIZABAG-CYBMUJFWSA-N 2 0 341.481 -0.115 20 0 EBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCN2CC[NH+](C)CC2)C[C@H]1C(=O)OC ZINC001257717038 812769648 /nfs/dbraw/zinc/76/96/48/812769648.db2.gz SKEUWOJOOOUTOU-RBSFLKMASA-N 2 0 341.452 -0.046 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC001261436600 812906115 /nfs/dbraw/zinc/90/61/15/812906115.db2.gz GJLXDGRNKPQBOD-INIZCTEOSA-N 3 0 327.517 -0.790 20 0 EBADRP C[NH+]1CCN(CCCNC(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC001261644026 812957758 /nfs/dbraw/zinc/95/77/58/812957758.db2.gz NPXVWYFLPANZTL-UHFFFAOYSA-N 2 0 335.456 -0.430 20 0 EBADRP OC[C@H]1C[N@H+](CCCCCC[NH+]2CC[C@@H](O)[C@H](CO)C2)CC[C@@H]1O ZINC001261660147 812960969 /nfs/dbraw/zinc/96/09/69/812960969.db2.gz GHKQVQFXRSVGDW-FZDBZEDMSA-N 2 0 344.496 -0.103 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC001262034577 813029173 /nfs/dbraw/zinc/02/91/73/813029173.db2.gz JAKVEJHLUNKNRQ-ILXRZTDVSA-N 2 0 339.484 -0.676 20 0 EBADRP COc1cccc([C@H](CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[NH+](C)C)c1 ZINC001262060205 813031109 /nfs/dbraw/zinc/03/11/09/813031109.db2.gz SRCLUJHYHFLKMY-DZKIICNBSA-N 2 0 346.431 -0.013 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001262073423 813033410 /nfs/dbraw/zinc/03/34/10/813033410.db2.gz RGMLCYTYFIPKJT-QLFBSQMISA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001262073380 813033834 /nfs/dbraw/zinc/03/38/34/813033834.db2.gz PZOVESSFANAION-MJBXVCDLSA-N 2 0 326.441 -0.591 20 0 EBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001262075035 813034542 /nfs/dbraw/zinc/03/45/42/813034542.db2.gz ILMMASRNFKGWIL-LSDHHAIUSA-N 2 0 339.484 -0.532 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@H](O)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081498519 813071210 /nfs/dbraw/zinc/07/12/10/813071210.db2.gz BPDOQPHXFLTPOD-CABCVRRESA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC001262542712 813090734 /nfs/dbraw/zinc/09/07/34/813090734.db2.gz GUMYUEXTOFMTIE-KGLIPLIRSA-N 2 0 339.484 -0.628 20 0 EBADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC001262542425 813091040 /nfs/dbraw/zinc/09/10/40/813091040.db2.gz ZYKKNHILOBCAPY-CABCVRRESA-N 2 0 339.484 -0.485 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1O ZINC001081506550 813099056 /nfs/dbraw/zinc/09/90/56/813099056.db2.gz UJVRJRMRTXDURO-HUUCEWRRSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1O ZINC001081506619 813099329 /nfs/dbraw/zinc/09/93/29/813099329.db2.gz UZNOWEGZIYIPQY-LSDHHAIUSA-N 2 0 342.484 -0.396 20 0 EBADRP [NH3+]CCN1CCC[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC001263160596 813108188 /nfs/dbraw/zinc/10/81/88/813108188.db2.gz IOGQLBSAFIKMRX-CABCVRRESA-N 2 0 338.452 -0.447 20 0 EBADRP O=C(NCc1nc(C[NH2+]CCO)cc(=O)[nH]1)[C@H]1C[NH+]2CCC1CC2 ZINC001264025272 813139808 /nfs/dbraw/zinc/13/98/08/813139808.db2.gz DBNHMKQRITUWJZ-ZDUSSCGKSA-N 2 0 335.408 -0.778 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001081556365 813174568 /nfs/dbraw/zinc/17/45/68/813174568.db2.gz NLCRDBMSWFIBGT-KGLIPLIRSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)[NH+](C)C ZINC001264436760 813176417 /nfs/dbraw/zinc/17/64/17/813176417.db2.gz HVWFFSVTLAIGLN-IHRRRGAJSA-N 2 0 338.452 -0.040 20 0 EBADRP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)N1CCOCC1 ZINC001265145945 813246257 /nfs/dbraw/zinc/24/62/57/813246257.db2.gz HERYHQUVDISGIW-OAHLLOKOSA-N 2 0 340.468 -0.375 20 0 EBADRP C[NH+](C)C1(C(=O)N2CC[C@H]([NH2+]CCNS(C)(=O)=O)C2)CCC1 ZINC001265433965 813323439 /nfs/dbraw/zinc/32/34/39/813323439.db2.gz RYTDQXQWLUXSHS-LBPRGKRZSA-N 2 0 332.470 -0.790 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081635119 813339487 /nfs/dbraw/zinc/33/94/87/813339487.db2.gz PTLPXBCGOCAKHA-CABCVRRESA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[N@H+](C)CC(=O)N(C)C ZINC001265973843 813429820 /nfs/dbraw/zinc/42/98/20/813429820.db2.gz BGPBYBOIJGUPMU-CQSZACIVSA-N 2 0 328.457 -0.519 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H](C[NH2+]CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001265990124 813435236 /nfs/dbraw/zinc/43/52/36/813435236.db2.gz NMHHZNLNBFELJA-CHWSQXEVSA-N 2 0 339.440 -0.684 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081701395 813439190 /nfs/dbraw/zinc/43/91/90/813439190.db2.gz VKVKHOUQTPLGFX-GJZGRUSLSA-N 2 0 342.484 -0.395 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081703698 813442507 /nfs/dbraw/zinc/44/25/07/813442507.db2.gz TXRRSHMDVVJEJU-LSDHHAIUSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001081703387 813442629 /nfs/dbraw/zinc/44/26/29/813442629.db2.gz PWCGRBFKVPBGLY-CABCVRRESA-N 2 0 342.484 -0.395 20 0 EBADRP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CCN1C(=O)CNC1=O ZINC001266108839 813459040 /nfs/dbraw/zinc/45/90/40/813459040.db2.gz HZIISSXGVSWSHG-ZDUSSCGKSA-N 2 0 339.440 -0.682 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001266125552 813462773 /nfs/dbraw/zinc/46/27/73/813462773.db2.gz FDXXJJUAQPZPHA-DGCLKSJQSA-N 2 0 339.440 -0.365 20 0 EBADRP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCNS(C)(=O)=O ZINC001266145696 813465925 /nfs/dbraw/zinc/46/59/25/813465925.db2.gz BCNGWUGFGGDFDM-JHJVBQTASA-N 2 0 334.486 -0.640 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081732027 813485272 /nfs/dbraw/zinc/48/52/72/813485272.db2.gz BNFXNJBDHWDYAP-LSDHHAIUSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081733170 813488859 /nfs/dbraw/zinc/48/88/59/813488859.db2.gz PXUVWJAOGMTXJD-UONOGXRCSA-N 2 0 328.457 -0.785 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1O ZINC001081733794 813489855 /nfs/dbraw/zinc/48/98/55/813489855.db2.gz YYKLDXZRXGIETN-KBPBESRZSA-N 2 0 340.468 -0.785 20 0 EBADRP Cc1nnc(CN2CC[NH+](CCCNC(=O)CC[NH+](C)C)CC2)[nH]1 ZINC001266271558 813501965 /nfs/dbraw/zinc/50/19/65/813501965.db2.gz OEJXIMCBVRRZKH-UHFFFAOYSA-N 2 0 337.472 -0.311 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001081774392 813541587 /nfs/dbraw/zinc/54/15/87/813541587.db2.gz OJKHMELJFAVUEM-GJZGRUSLSA-N 2 0 342.484 -0.395 20 0 EBADRP COCCOC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001266353112 813545047 /nfs/dbraw/zinc/54/50/47/813545047.db2.gz ONLIYGYIMBADGD-CABCVRRESA-N 2 0 341.452 -0.703 20 0 EBADRP COCCOC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001266353113 813545682 /nfs/dbraw/zinc/54/56/82/813545682.db2.gz ONLIYGYIMBADGD-GJZGRUSLSA-N 2 0 341.452 -0.703 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001266599334 813618499 /nfs/dbraw/zinc/61/84/99/813618499.db2.gz HJHHWYYOLWSIGT-SYQHCUMBSA-N 2 0 336.436 -0.097 20 0 EBADRP CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)c1sccc1C[NH+](C)C ZINC001266715665 813648211 /nfs/dbraw/zinc/64/82/11/813648211.db2.gz BLNHBNPSPXEZNC-UHFFFAOYSA-N 2 0 341.437 -0.334 20 0 EBADRP CN(CC[NH2+]CCN1CCCS1(=O)=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001266817563 813678017 /nfs/dbraw/zinc/67/80/17/813678017.db2.gz LTDWPXRIIPYCLV-UHFFFAOYSA-N 2 0 346.497 -0.588 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001267025364 813739059 /nfs/dbraw/zinc/73/90/59/813739059.db2.gz VGORYVUSMMTVRU-AWEZNQCLSA-N 2 0 326.441 -0.575 20 0 EBADRP CN(CC[NH2+]CCN1CCNC1=O)C(=O)CC[NH+]1CCCCC1 ZINC001267116721 813763446 /nfs/dbraw/zinc/76/34/46/813763446.db2.gz GBWNUYIWPJSWHG-UHFFFAOYSA-N 2 0 325.457 -0.064 20 0 EBADRP C[C@@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@H]1CCC(=O)NC1=O ZINC001267134834 813768035 /nfs/dbraw/zinc/76/80/35/813768035.db2.gz YAJIMEWLQNAEIX-STQMWFEESA-N 2 0 336.436 -0.096 20 0 EBADRP CN(CC[NH2+]CC(=O)NC[C@H]1CCOC1)C(=O)C12CC[NH+](CC1)C2 ZINC001267456563 813902337 /nfs/dbraw/zinc/90/23/37/813902337.db2.gz BDJLGHIJEXWHRI-CQSZACIVSA-N 2 0 338.452 -0.717 20 0 EBADRP CN(CC[NH2+]C[C@H](O)COC1CCOCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267468625 813906700 /nfs/dbraw/zinc/90/67/00/813906700.db2.gz AGVHSASISGSCIL-GJZGRUSLSA-N 2 0 343.468 -0.457 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CCN1C(=O)CNC1=O ZINC001267474325 813910401 /nfs/dbraw/zinc/91/04/01/813910401.db2.gz PTJLZFPDJVCJQC-ZDUSSCGKSA-N 2 0 339.440 -0.539 20 0 EBADRP CO[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368486 813923450 /nfs/dbraw/zinc/92/34/50/813923450.db2.gz DFABMKMLKCVNMG-FVQBIDKESA-N 2 0 335.452 -0.270 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001267592320 813944713 /nfs/dbraw/zinc/94/47/13/813944713.db2.gz REIJJGQGYALAAE-UONOGXRCSA-N 2 0 338.452 -0.086 20 0 EBADRP CC(=O)NCCOCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267622214 813957909 /nfs/dbraw/zinc/95/79/09/813957909.db2.gz QONQSLJCUKGILZ-HZPDHXFCSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001082617473 813979915 /nfs/dbraw/zinc/97/99/15/813979915.db2.gz WLGCFCJVEOPHEV-MGPQQGTHSA-N 2 0 348.447 -0.144 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001082748492 814004971 /nfs/dbraw/zinc/00/49/71/814004971.db2.gz OBTOQNNJQNTNBP-UPJWGTAASA-N 2 0 339.440 -0.685 20 0 EBADRP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCN1C(=O)CNC1=O ZINC001267816758 814048353 /nfs/dbraw/zinc/04/83/53/814048353.db2.gz YKSHWBRTAJLTMG-VXGBXAGGSA-N 2 0 325.413 -0.883 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]CCNS(C)(=O)=O)CC1 ZINC001267931850 814070744 /nfs/dbraw/zinc/07/07/44/814070744.db2.gz GZBHQAPARKZZKN-HDJSIYSDSA-N 2 0 348.513 -0.107 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+][C@@H]2CCC(=O)NC2=O)CCCC1 ZINC001268037910 814108745 /nfs/dbraw/zinc/10/87/45/814108745.db2.gz MWKXWMCGOWTPNT-CHWSQXEVSA-N 2 0 336.436 -0.096 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CCN1C(=O)CCC1=O ZINC001268099055 814124890 /nfs/dbraw/zinc/12/48/90/814124890.db2.gz XYWANOCJGJJMLU-ZDUSSCGKSA-N 2 0 326.441 -0.088 20 0 EBADRP CS(=O)(=O)NCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001268288648 814172754 /nfs/dbraw/zinc/17/27/54/814172754.db2.gz CKZOVVUIQVQUFP-KBPBESRZSA-N 2 0 346.497 -0.494 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC=CC[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001268522929 814272997 /nfs/dbraw/zinc/27/29/97/814272997.db2.gz ODGUOFIHVVWVAG-HSWBROFVSA-N 2 0 344.419 -0.121 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC/C=C/C[NH2+][C@@H]2CCNC2=O)n1 ZINC001268539559 814280018 /nfs/dbraw/zinc/28/00/18/814280018.db2.gz VJUVLGBGDIDGTJ-ITDFMYJTSA-N 2 0 334.424 -0.791 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC/C=C\C[NH2+][C@@H]2CCNC2=O)n1 ZINC001268539558 814280643 /nfs/dbraw/zinc/28/06/43/814280643.db2.gz VJUVLGBGDIDGTJ-DHCBQETCSA-N 2 0 334.424 -0.791 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]CCN2CCNC2=O)CC[N@@H+]1C ZINC001268793978 814387578 /nfs/dbraw/zinc/38/75/78/814387578.db2.gz UVLAMNINOLSXNE-ZIAGYGMSSA-N 2 0 325.457 -0.210 20 0 EBADRP CCOCCNC(=O)CN1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001268844281 814410604 /nfs/dbraw/zinc/41/06/04/814410604.db2.gz OTWMOBPMWZNTLC-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H]([NH2+]CCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)NC(N)=O ZINC001268848146 814412615 /nfs/dbraw/zinc/41/26/15/814412615.db2.gz RSBJEFADTLZCBA-RYUDHWBXSA-N 2 0 327.429 -0.650 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)C[N@H+](C)C(C)C ZINC001268959295 814457965 /nfs/dbraw/zinc/45/79/65/814457965.db2.gz XNRXFBXNDLUUCB-GFCCVEGCSA-N 2 0 329.445 -0.391 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CC(=O)NC(N)=O ZINC001268961771 814459350 /nfs/dbraw/zinc/45/93/50/814459350.db2.gz HDVRYJYTIRKPIQ-LBPRGKRZSA-N 2 0 327.429 -0.506 20 0 EBADRP O=C(N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O)[C@@H]1C[NH+]2CCC1CC2 ZINC001083465981 814461513 /nfs/dbraw/zinc/46/15/13/814461513.db2.gz AJFFYOMJPZUWES-ZACQAIPSSA-N 2 0 337.464 -0.084 20 0 EBADRP O=C(N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001083465980 814461522 /nfs/dbraw/zinc/46/15/22/814461522.db2.gz AJFFYOMJPZUWES-BBWFWOEESA-N 2 0 337.464 -0.084 20 0 EBADRP CN(CC(=O)N1CCC[C@@]2(CN(CC[NH+](C)C)CCO2)C1)C(N)=[NH2+] ZINC001268996547 814467698 /nfs/dbraw/zinc/46/76/98/814467698.db2.gz MQULMYIVKOYPPZ-MRXNPFEDSA-N 2 0 340.472 -0.933 20 0 EBADRP CC[N@H+](C)CC(=O)N1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001269095408 814530685 /nfs/dbraw/zinc/53/06/85/814530685.db2.gz SQSARGXQIIGVJE-KRWDZBQOSA-N 2 0 340.468 -0.423 20 0 EBADRP CC[N@H+](C)CC(=O)N1C[C@@]2(F)C(=O)N(CC[NH+](C)C)C[C@@]2(F)C1 ZINC001269095197 814530944 /nfs/dbraw/zinc/53/09/44/814530944.db2.gz PJUNBHGLGJDHPY-HUUCEWRRSA-N 2 0 332.395 -0.399 20 0 EBADRP CN(CC(=O)N1CC[C@@H]2C[C@@]21C(=O)NC1CC[NH+](C)CC1)C(N)=[NH2+] ZINC001269347565 814652437 /nfs/dbraw/zinc/65/24/37/814652437.db2.gz GEUYVDBGSVTCBV-BZNIZROVSA-N 2 0 336.440 -0.987 20 0 EBADRP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001269552153 814724313 /nfs/dbraw/zinc/72/43/13/814724313.db2.gz YGQZFOLRFMLHTE-AWEZNQCLSA-N 2 0 338.452 -0.528 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001083749874 814754588 /nfs/dbraw/zinc/75/45/88/814754588.db2.gz VFTHQASJOYMGNI-BMFZPTHFSA-N 2 0 325.453 -0.084 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083781309 815598340 /nfs/dbraw/zinc/59/83/40/815598340.db2.gz BQJXMKIRVINJLH-BMFZPTHFSA-N 2 0 325.453 -0.084 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](C[C@H]3CCOC3)C[C@@H]2O)C1 ZINC001083782576 815602046 /nfs/dbraw/zinc/60/20/46/815602046.db2.gz BDQTXXUWZUVBFZ-KFWWJZLASA-N 2 0 325.453 -0.084 20 0 EBADRP Cn1cc(CC[N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)cn1 ZINC001083958557 815740874 /nfs/dbraw/zinc/74/08/74/815740874.db2.gz LYXQBKJRVPODEO-CABCVRRESA-N 2 0 333.436 -0.780 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]CCN(C)S(C)(=O)=O ZINC001270437300 815778167 /nfs/dbraw/zinc/77/81/67/815778167.db2.gz YUEYGZUSLZKKCP-ZIAGYGMSSA-N 2 0 348.513 -0.296 20 0 EBADRP C[NH+](C)CCN1C[C@]2(CCN(C(=O)C3([NH+](C)C)CC3)C2)OCC1=O ZINC001270731928 815871130 /nfs/dbraw/zinc/87/11/30/815871130.db2.gz KNCZEHDYIVRZFI-INIZCTEOSA-N 2 0 338.452 -0.528 20 0 EBADRP O=C(NCC1([NH2+]CCCO)CCOCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001271039042 815964744 /nfs/dbraw/zinc/96/47/44/815964744.db2.gz YPSCPUGXACUSRL-OAHLLOKOSA-N 2 0 325.453 -0.034 20 0 EBADRP C[NH+](C)CCN1CC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@H](O)C3)C2)C1=O ZINC001271086292 815979882 /nfs/dbraw/zinc/97/98/82/815979882.db2.gz JRVGZRRTQNCGGQ-WMLDXEAASA-N 2 0 338.452 -0.934 20 0 EBADRP C[NH+](C)CCN1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)C[N@@H+]3C)C2)C1=O ZINC001271098467 815984556 /nfs/dbraw/zinc/98/45/56/815984556.db2.gz HNYGKFJCTIRDPT-GRDNDAEWSA-N 2 0 338.452 -0.936 20 0 EBADRP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001271118834 815992148 /nfs/dbraw/zinc/99/21/48/815992148.db2.gz NZIPUCIVEZZKHW-AWEZNQCLSA-N 2 0 338.452 -0.530 20 0 EBADRP NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085279610 816035946 /nfs/dbraw/zinc/03/59/46/816035946.db2.gz UKFCRURPGZGTME-DEWJTKQSSA-N 2 0 336.436 -0.648 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001271250035 816051939 /nfs/dbraw/zinc/05/19/39/816051939.db2.gz MSXUFJUKLOBQEV-UHFFFAOYSA-N 2 0 340.468 -0.280 20 0 EBADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001271450263 816111946 /nfs/dbraw/zinc/11/19/46/816111946.db2.gz UVRFJMZHIKWCPM-OLZOCXBDSA-N 2 0 341.456 -0.260 20 0 EBADRP CN(C[C@@H]1CC[N@@H+]1C[C@H](O)Cn1cccn1)C(=O)C12CC[NH+](CC1)C2 ZINC001085928172 816181571 /nfs/dbraw/zinc/18/15/71/816181571.db2.gz PQSSIDORUQGZIR-HOTGVXAUSA-N 2 0 347.463 -0.128 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001086046057 816213879 /nfs/dbraw/zinc/21/38/79/816213879.db2.gz JCMDDLQDYHSWAF-MJBXVCDLSA-N 2 0 348.451 -0.113 20 0 EBADRP O=C(NC[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001086087397 816225640 /nfs/dbraw/zinc/22/56/40/816225640.db2.gz YEWLZVUVMNMDLD-VNQPRFMTSA-N 2 0 349.479 -0.162 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001086090592 816226545 /nfs/dbraw/zinc/22/65/45/816226545.db2.gz HGSAJHTULGYNKQ-APIJFGDWSA-N 2 0 337.468 -0.164 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CCOCCO)C[C@@H]3C2)CC[N@@H+]1C ZINC001271855202 816231272 /nfs/dbraw/zinc/23/12/72/816231272.db2.gz YVOMOYDPZHQCOW-LVQVYYBASA-N 2 0 325.453 -0.274 20 0 EBADRP NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001086106786 816231590 /nfs/dbraw/zinc/23/15/90/816231590.db2.gz ZMRJQDOQOSYOQN-GUTXKFCHSA-N 2 0 338.452 -0.401 20 0 EBADRP O=C(NC[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)C12CCC[NH+]1CCC2 ZINC001086136904 816243500 /nfs/dbraw/zinc/24/35/00/816243500.db2.gz DGZQYVLODPFFNX-MJBXVCDLSA-N 2 0 348.447 -0.096 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001086186832 816265409 /nfs/dbraw/zinc/26/54/09/816265409.db2.gz QYBLVJZGEVOLPW-YUTCNCBUSA-N 2 0 336.436 -0.382 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)cn1 ZINC001086221607 816272091 /nfs/dbraw/zinc/27/20/91/816272091.db2.gz BCVVBLZGXJBYBQ-VHDGCEQUSA-N 2 0 348.451 -0.569 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001086327832 816297310 /nfs/dbraw/zinc/29/73/10/816297310.db2.gz RLJMVKMMIMNIIE-AJNGGQMLSA-N 2 0 343.493 0.000 20 0 EBADRP Cn1cnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001086372893 816309198 /nfs/dbraw/zinc/30/91/98/816309198.db2.gz BYRFPQWITHYQHZ-TUVASFSCSA-N 2 0 348.451 -0.337 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)nc1=O ZINC001086368149 816309816 /nfs/dbraw/zinc/30/98/16/816309816.db2.gz TWRVZSQFPOSOGI-UBHSHLNASA-N 2 0 348.451 -0.565 20 0 EBADRP Cn1cnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001086372892 816309860 /nfs/dbraw/zinc/30/98/60/816309860.db2.gz BYRFPQWITHYQHZ-KBUPBQIOSA-N 2 0 348.451 -0.337 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1)C(N)=O ZINC001086431921 816333174 /nfs/dbraw/zinc/33/31/74/816333174.db2.gz GZANVVRYXUFKOP-KABIWOGOSA-N 2 0 336.436 -0.792 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)CCN1C(=O)CNC1=O ZINC001272178566 816339611 /nfs/dbraw/zinc/33/96/11/816339611.db2.gz LGPNDRMCTJYSCZ-UHFFFAOYSA-N 2 0 327.429 -0.731 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001086456769 816343874 /nfs/dbraw/zinc/34/38/74/816343874.db2.gz VPZTVVFXOMCITQ-TUVASFSCSA-N 2 0 338.452 -0.532 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001086466725 816348256 /nfs/dbraw/zinc/34/82/56/816348256.db2.gz QYBLVJZGEVOLPW-MRVWCRGKSA-N 2 0 336.436 -0.382 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001086552149 816372100 /nfs/dbraw/zinc/37/21/00/816372100.db2.gz WULJCVHBMAYJLN-KBUPBQIOSA-N 2 0 343.493 -0.143 20 0 EBADRP O=C(NC[C@@H](O)C[NH2+]CCn1cc(Cl)cn1)C12CC[NH+](CC1)C2 ZINC001272559433 816475613 /nfs/dbraw/zinc/47/56/13/816475613.db2.gz IKNYSAYRQNFOIM-ZDUSSCGKSA-N 2 0 341.843 -0.301 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCN1CCCC1=O ZINC001272583798 816486779 /nfs/dbraw/zinc/48/67/79/816486779.db2.gz KEYXEIUULCSBLF-CABCVRRESA-N 2 0 340.468 -0.450 20 0 EBADRP CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)n1 ZINC001087258677 816490593 /nfs/dbraw/zinc/49/05/93/816490593.db2.gz VZDHYIHSYDVUOZ-OFKYTCTHSA-N 2 0 347.419 -0.229 20 0 EBADRP C[C@@H](CC[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001272688957 816507666 /nfs/dbraw/zinc/50/76/66/816507666.db2.gz USLXHBGJZMINKK-AAEUAGOBSA-N 2 0 339.440 -0.447 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001272704701 816509261 /nfs/dbraw/zinc/50/92/61/816509261.db2.gz UJHLLGDYGDNOIT-KBPBESRZSA-N 2 0 328.457 -0.332 20 0 EBADRP COCCOCN1C(=O)COCC12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001273029369 816570506 /nfs/dbraw/zinc/57/05/06/816570506.db2.gz DZNMIKROKRTQHM-UHFFFAOYSA-N 2 0 327.425 -0.480 20 0 EBADRP CS(=O)(=O)NCC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001273185717 816602308 /nfs/dbraw/zinc/60/23/08/816602308.db2.gz DFFBYMVIOMAXGJ-UHFFFAOYSA-N 2 0 344.481 -0.740 20 0 EBADRP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001088046438 816610172 /nfs/dbraw/zinc/61/01/72/816610172.db2.gz UQRHNVBXGFJFTM-OWQJAQGESA-N 2 0 335.448 -0.378 20 0 EBADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001088200960 816648259 /nfs/dbraw/zinc/64/82/59/816648259.db2.gz DCVWSWWKRKVHCY-CVEARBPZSA-N 2 0 349.479 -0.112 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001273351250 816651542 /nfs/dbraw/zinc/65/15/42/816651542.db2.gz NPGFQMQAHHBZSU-AWEZNQCLSA-N 2 0 341.456 -0.830 20 0 EBADRP CS(=O)(=O)CCC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001273358444 816653750 /nfs/dbraw/zinc/65/37/50/816653750.db2.gz FNBFMUKDICPDOK-AWEZNQCLSA-N 2 0 347.481 -0.666 20 0 EBADRP COC(=O)[C@H](C)C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273415836 816670213 /nfs/dbraw/zinc/67/02/13/816670213.db2.gz UGCLLXVIHMVYMM-CJNGLKHVSA-N 2 0 327.425 -0.340 20 0 EBADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](C[C@@H]3COCCO3)C2)OCC1=O ZINC001273773095 816755642 /nfs/dbraw/zinc/75/56/42/816755642.db2.gz BVBVEMJHRYTKMD-ZBFHGGJFSA-N 2 0 327.425 -0.733 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001088984097 816775004 /nfs/dbraw/zinc/77/50/04/816775004.db2.gz GZGUFOLCPJDJGU-KGLIPLIRSA-N 2 0 348.447 -0.190 20 0 EBADRP C[NH+](C)CCN1C(=O)COCC12CN(C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001273862908 816788995 /nfs/dbraw/zinc/78/89/95/816788995.db2.gz CNOFKAACNZOJRP-CQSZACIVSA-N 2 0 342.484 -0.790 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@](CO)([NH2+]CCOCCO)C2)C1 ZINC001273910745 816806337 /nfs/dbraw/zinc/80/63/37/816806337.db2.gz KNTLFIRGGINJRK-WBVHZDCISA-N 2 0 343.468 -0.720 20 0 EBADRP CN1CCO[C@H](C(=O)N2CCC(C)([NH2+]CCOCCO)CC2)C1 ZINC001274327267 816933576 /nfs/dbraw/zinc/93/35/76/816933576.db2.gz ZDVZFWDTTVOZNL-AWEZNQCLSA-N 2 0 329.441 -0.703 20 0 EBADRP CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001089908224 816937539 /nfs/dbraw/zinc/93/75/39/816937539.db2.gz RJCFEFVCMXSAJD-JONQDZQNSA-N 2 0 334.464 -0.003 20 0 EBADRP CC[C@H](C(=O)N1CCC(O)(C[NH2+]CCn2cncn2)CC1)[NH+](C)C ZINC001274572289 817017187 /nfs/dbraw/zinc/01/71/87/817017187.db2.gz KLZRBFPQQOKGKB-CQSZACIVSA-N 2 0 338.456 -0.439 20 0 EBADRP COC(=O)[C@@H](O)C[N@@H+]1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001274603772 817028469 /nfs/dbraw/zinc/02/84/69/817028469.db2.gz GXMBLKUYKBIBCW-XJKSGUPXSA-N 2 0 327.425 -0.461 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274643737 817054619 /nfs/dbraw/zinc/05/46/19/817054619.db2.gz VOIUIYIUYGPLTD-XJKSGUPXSA-N 2 0 327.425 -0.604 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCCCC[NH+]1CCN(CC(N)=O)CC1 ZINC001274878729 817102510 /nfs/dbraw/zinc/10/25/10/817102510.db2.gz IUOSGNSSBYDEII-OAHLLOKOSA-N 2 0 339.484 -0.530 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001275916096 817313040 /nfs/dbraw/zinc/31/30/40/817313040.db2.gz UNJQZCWNJBYPGD-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCC(OCCC[NH2+]CC(N)=O)CC2)CC1 ZINC001276170941 817368263 /nfs/dbraw/zinc/36/82/63/817368263.db2.gz UPVCMOUTVPICRB-UHFFFAOYSA-N 2 0 340.468 -0.199 20 0 EBADRP CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001276432843 817403355 /nfs/dbraw/zinc/40/33/55/817403355.db2.gz PYHKESVVXAPUHB-AAEUAGOBSA-N 2 0 339.440 -0.685 20 0 EBADRP CN(C)CC[N@@H+]1C[C@@H]2C(=O)NC3(CCN(CC[NH+](C)C)CC3)[C@H]2C1 ZINC001276463118 817409313 /nfs/dbraw/zinc/40/93/13/817409313.db2.gz AVRKFBWJIVSEQZ-HOTGVXAUSA-N 2 0 337.512 -0.378 20 0 EBADRP CN(C)C(=O)C[N@@H+]1C[C@H]2C[C@@]2(C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001277334367 817553546 /nfs/dbraw/zinc/55/35/46/817553546.db2.gz NVRRVQADOYQRLA-CXAGYDPISA-N 2 0 348.451 -0.207 20 0 EBADRP C[NH+](C)CCNC(=S)N1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001277451951 817571521 /nfs/dbraw/zinc/57/15/21/817571521.db2.gz JEDIEUFNJASOAE-STQMWFEESA-N 2 0 339.509 -0.435 20 0 EBADRP C[C@H](C(N)=O)[N@H+](C)CCOCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001277501176 817581479 /nfs/dbraw/zinc/58/14/79/817581479.db2.gz JVWHUULYUGQNND-CQSZACIVSA-N 2 0 340.468 -0.199 20 0 EBADRP Cn1nnnc1NC(=O)[C@H]1COCCC12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001277824021 817641210 /nfs/dbraw/zinc/64/12/10/817641210.db2.gz OETKXYHDOBOGCQ-CYBMUJFWSA-N 2 0 349.439 -0.513 20 0 EBADRP C[C@H](CO)C[N@@H+]1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001277998444 817671936 /nfs/dbraw/zinc/67/19/36/817671936.db2.gz JWPHLQAQUPICKX-DOTOQJQBSA-N 2 0 326.485 -0.167 20 0 EBADRP C[NH+]1CCN(CCC[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2cn[nH]c2)CC1 ZINC001278117590 817703096 /nfs/dbraw/zinc/70/30/96/817703096.db2.gz TXGQGLOHHGSBFV-MSOLQXFVSA-N 2 0 348.495 -0.068 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001090814177 817771201 /nfs/dbraw/zinc/77/12/01/817771201.db2.gz JHPKNLMVNRYQQN-CABCVRRESA-N 2 0 338.452 -0.744 20 0 EBADRP Cc1nc(C)n(CC[NH2+]C[C@H](O)CN(C)C(=O)C[NH+]2CCCC2)n1 ZINC001278833239 817857171 /nfs/dbraw/zinc/85/71/71/817857171.db2.gz QJBQANKNJAVVDX-HNNXBMFYSA-N 2 0 338.456 -0.600 20 0 EBADRP CN(C(=O)C1([NH+](C)C)CCC1)C1CC([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001279242584 817913911 /nfs/dbraw/zinc/91/39/11/817913911.db2.gz VPSIDJCQTJWPPB-BPCQOVAHSA-N 2 0 336.436 -0.145 20 0 EBADRP CN(C)C(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001279886021 817999995 /nfs/dbraw/zinc/99/99/95/817999995.db2.gz GDBAOGLKABKCBJ-CABCVRRESA-N 2 0 342.484 -0.395 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001093864497 818116949 /nfs/dbraw/zinc/11/69/49/818116949.db2.gz PAPWASMWNAOEMH-MGPQQGTHSA-N 2 0 335.456 -0.122 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]CCCS(C)(=O)=O ZINC001281464330 818191155 /nfs/dbraw/zinc/19/11/55/818191155.db2.gz WXHKIIDBXSITAX-KGLIPLIRSA-N 2 0 331.482 -0.047 20 0 EBADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001282186718 818373624 /nfs/dbraw/zinc/37/36/24/818373624.db2.gz WZYXBKBTWKBOHO-VXGBXAGGSA-N 2 0 341.456 -0.249 20 0 EBADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CCN1C(=O)CNC1=O ZINC001282363423 818397116 /nfs/dbraw/zinc/39/71/16/818397116.db2.gz AEIBUZRNFQNPHZ-NEPJUHHUSA-N 2 0 325.413 -0.931 20 0 EBADRP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC(=O)NC(N)=O ZINC001283174757 818685966 /nfs/dbraw/zinc/68/59/66/818685966.db2.gz ZHSSWPFTMMFASF-OLZOCXBDSA-N 2 0 341.456 -0.071 20 0 EBADRP C[C@H](CCC[NH2+]CC(=O)NC(N)=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001283213416 818703591 /nfs/dbraw/zinc/70/35/91/818703591.db2.gz DCWDTUSSMYKRAD-GFCCVEGCSA-N 2 0 341.456 -0.070 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001283278346 818734688 /nfs/dbraw/zinc/73/46/88/818734688.db2.gz LBIBEDWHJAJHEM-NEPJUHHUSA-N 2 0 327.429 -0.732 20 0 EBADRP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCN1C(=O)CNC1=O ZINC001283611697 818879942 /nfs/dbraw/zinc/87/99/42/818879942.db2.gz JHRNIRIZPFPHCI-YNEHKIRRSA-N 2 0 339.440 -0.685 20 0 EBADRP O=C(N[C@@H]1CC[C@H](C[NH2+]CCOCCO)C1)C12CC[NH+](CC1)C2 ZINC001284242770 819146145 /nfs/dbraw/zinc/14/61/45/819146145.db2.gz NBTDNZYKQHNUFH-LSDHHAIUSA-N 2 0 325.453 -0.034 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CNC2=O)C1 ZINC001098394841 819168656 /nfs/dbraw/zinc/16/86/56/819168656.db2.gz SVFICWTWAVFZRF-SYQHCUMBSA-N 2 0 349.435 -0.789 20 0 EBADRP CCNC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001098404657 819172091 /nfs/dbraw/zinc/17/20/91/819172091.db2.gz RKEHYNGHBOLPCF-OAHLLOKOSA-N 2 0 342.484 -0.252 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CCC([N@H+](CCO)CCCO)CC2)CC1 ZINC001098462277 819199966 /nfs/dbraw/zinc/19/99/66/819199966.db2.gz LWGUBJUBQGPDKQ-UHFFFAOYSA-N 2 0 327.469 -0.004 20 0 EBADRP CC[C@@H](C(=O)N1CCC([N@H+](CCO)CC(=O)N(C)C)CC1)[NH+](C)C ZINC001098479835 819208907 /nfs/dbraw/zinc/20/89/07/819208907.db2.gz BMOPPOQAONANQP-HNNXBMFYSA-N 2 0 342.484 -0.300 20 0 EBADRP CNC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001098478827 819209663 /nfs/dbraw/zinc/20/96/63/819209663.db2.gz FWWVJCJUZYEOOF-ZFWWWQNUSA-N 2 0 340.468 -0.785 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N2CCC([NH+](CCO)CC(N)=O)CC2)C1 ZINC001098478948 819209793 /nfs/dbraw/zinc/20/97/93/819209793.db2.gz LHSFGCMUPSGVDY-UHFFFAOYSA-N 2 0 340.468 -0.511 20 0 EBADRP CCNC(=O)C[N@H+](CCO)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001098524949 819230035 /nfs/dbraw/zinc/23/00/35/819230035.db2.gz WJTJHVMOUIGJNE-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP CCOCC[N@H+](CCO)C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001098533065 819234336 /nfs/dbraw/zinc/23/43/36/819234336.db2.gz QOZVTPWZHRZZAR-UHFFFAOYSA-N 2 0 345.484 -0.114 20 0 EBADRP C[C@H](O)C[N@H+](CCO)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001098533051 819234400 /nfs/dbraw/zinc/23/44/00/819234400.db2.gz QERQZDMQFBMKDU-LSDHHAIUSA-N 2 0 327.469 -0.006 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCC([NH+](CCO)CC(=O)NC)CC1 ZINC001098540712 819238049 /nfs/dbraw/zinc/23/80/49/819238049.db2.gz WAOJQZIYTFDENM-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[C@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001098768161 819359833 /nfs/dbraw/zinc/35/98/33/819359833.db2.gz RQDRSQUVXAXXDZ-DZGCQCFKSA-N 2 0 348.451 -0.382 20 0 EBADRP C[C@@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001098779510 819364043 /nfs/dbraw/zinc/36/40/43/819364043.db2.gz HPAZMXKLSYHKSU-UKRRQHHQSA-N 2 0 336.440 -0.382 20 0 EBADRP C[C@@H]([NH2+]CCOCCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001284854505 819373506 /nfs/dbraw/zinc/37/35/06/819373506.db2.gz HNGWCFJMEXCUFQ-ZIAGYGMSSA-N 2 0 328.457 -0.378 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001099538922 819478621 /nfs/dbraw/zinc/47/86/21/819478621.db2.gz WFEOEHPUUBPCFP-KEYYUXOJSA-N 2 0 347.467 -0.120 20 0 EBADRP C[NH+](C)CCOCC(=O)NC1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001285955461 819845796 /nfs/dbraw/zinc/84/57/96/819845796.db2.gz IMWDOYPHADAWNF-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[NH+](CCOCCO)C[C@H]1O ZINC001099898455 819858661 /nfs/dbraw/zinc/85/86/61/819858661.db2.gz BWONSLRGSJDKEB-UONOGXRCSA-N 2 0 331.457 -0.723 20 0 EBADRP Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971927 819975236 /nfs/dbraw/zinc/97/52/36/819975236.db2.gz OFWUTUJVOQAELB-CVEARBPZSA-N 2 0 349.479 -0.144 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001099986423 819992159 /nfs/dbraw/zinc/99/21/59/819992159.db2.gz KKHBXFGCBZECEH-ZIAGYGMSSA-N 2 0 326.441 -0.888 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CCOCCOC)C[C@@H]1O ZINC001100048508 820122907 /nfs/dbraw/zinc/12/29/07/820122907.db2.gz MTKRZHGYTZWDKC-CABCVRRESA-N 2 0 331.457 -0.457 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](CCOCCOC)C[C@@H]1O ZINC001100048509 820123205 /nfs/dbraw/zinc/12/32/05/820123205.db2.gz MTKRZHGYTZWDKC-GJZGRUSLSA-N 2 0 331.457 -0.457 20 0 EBADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100073388 820163113 /nfs/dbraw/zinc/16/31/13/820163113.db2.gz CJDIVRNJFYXZJK-HUUCEWRRSA-N 2 0 331.457 -0.457 20 0 EBADRP O=C(N[C@@H]1CC[N@@H+](CCOCC(F)F)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001100073902 820164203 /nfs/dbraw/zinc/16/42/03/820164203.db2.gz HJNBYWQHFIQSIQ-CHWSQXEVSA-N 2 0 347.406 -0.085 20 0 EBADRP NC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001100334943 820363532 /nfs/dbraw/zinc/36/35/32/820363532.db2.gz BMXZEQPZSCIQEM-GDKBPFBDSA-N 2 0 337.424 -0.993 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCC1CC([NH2+]CCS(C)(=O)=O)C1)C1CC1 ZINC001100408152 820407446 /nfs/dbraw/zinc/40/74/46/820407446.db2.gz WQNCTKOAPMGCEO-UXUKBGGZSA-N 2 0 331.482 -0.144 20 0 EBADRP NC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001100476213 820437131 /nfs/dbraw/zinc/43/71/31/820437131.db2.gz CJJDPONTVOYSAJ-UHFFFAOYSA-N 2 0 337.424 -0.706 20 0 EBADRP CC(C)(C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1)[NH+]1CCCC1 ZINC001100562642 820471286 /nfs/dbraw/zinc/47/12/86/820471286.db2.gz VHRJABRWSDGSSY-UHFFFAOYSA-N 2 0 339.440 -0.460 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CC(=O)N(C)C)C2)C1 ZINC001100605924 820484509 /nfs/dbraw/zinc/48/45/09/820484509.db2.gz ZYWPFFRUFSJQQQ-YMAMQOFZSA-N 2 0 340.468 -0.332 20 0 EBADRP C[C@@H]([NH2+]C1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1)C(=O)NC(N)=O ZINC001100614341 820488225 /nfs/dbraw/zinc/48/82/25/820488225.db2.gz OSOMSFSZPQOBFM-VOMCLLRMSA-N 2 0 339.440 -0.604 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC2CC([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001100678278 820509013 /nfs/dbraw/zinc/50/90/13/820509013.db2.gz GBHHXMQROSKYII-HSBZDZAISA-N 2 0 331.482 -0.143 20 0 EBADRP CC[C@@H]([NH2+]C1CC(CNC(=O)COC2CC[NH+](C)CC2)C1)C(N)=O ZINC001100804742 820557393 /nfs/dbraw/zinc/55/73/93/820557393.db2.gz VCONATAJRFWFLD-SSDMNJCBSA-N 2 0 340.468 -0.155 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC1CC([NH2+][C@@H]2CCCNC2=O)C1 ZINC001100870913 820585568 /nfs/dbraw/zinc/58/55/68/820585568.db2.gz RNLDOMIUQYHDEC-JXQTWKCFSA-N 2 0 326.441 -0.672 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+]CCOCCNC(C)=O)C1 ZINC001100901757 820594146 /nfs/dbraw/zinc/59/41/46/820594146.db2.gz MVASUFOJPVABBT-UHFFFAOYSA-N 2 0 342.484 -0.035 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001100980814 820630510 /nfs/dbraw/zinc/63/05/10/820630510.db2.gz HHPLIDHLGQLXLG-MOKVOYLWSA-N 2 0 346.497 -0.638 20 0 EBADRP CCOCCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001100982473 820631377 /nfs/dbraw/zinc/63/13/77/820631377.db2.gz VWHUXRLLURWCHM-SLTAFYQDSA-N 2 0 340.468 -0.425 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1CC([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001101036373 820661031 /nfs/dbraw/zinc/66/10/31/820661031.db2.gz OXFKQUVOXXGORQ-UHFFFAOYSA-N 2 0 339.440 -0.637 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CCOCCO)C[C@@]2(C)C1 ZINC001101171816 820709111 /nfs/dbraw/zinc/70/91/11/820709111.db2.gz MDRSVSMVRHBKQO-INMHGKMJSA-N 2 0 325.453 -0.130 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101323193 820755867 /nfs/dbraw/zinc/75/58/67/820755867.db2.gz UXWNNZCNHPQSGK-DLTWYDFYSA-N 2 0 325.453 -0.132 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102476108 821118655 /nfs/dbraw/zinc/11/86/55/821118655.db2.gz UUVKMEABWMWKGD-FRRDWIJNSA-N 2 0 341.456 -0.404 20 0 EBADRP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)NC(=O)COCC[NH+](C)C ZINC001295572814 821126746 /nfs/dbraw/zinc/12/67/46/821126746.db2.gz CWNHSPCWOJYKAX-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102524557 821138845 /nfs/dbraw/zinc/13/88/45/821138845.db2.gz LLXMGHZDCPPBFT-CHWSQXEVSA-N 2 0 341.456 -0.403 20 0 EBADRP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001102578175 821160778 /nfs/dbraw/zinc/16/07/78/821160778.db2.gz OVBSAEJLPLRQAR-HZSPNIEDSA-N 2 0 346.497 -0.829 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001104621208 821523865 /nfs/dbraw/zinc/52/38/65/821523865.db2.gz BYQJRJOYHMVFPQ-VXGBXAGGSA-N 2 0 327.429 -0.793 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105268582 821657529 /nfs/dbraw/zinc/65/75/29/821657529.db2.gz UDMZUJAHBYGBOK-HNNXBMFYSA-N 2 0 336.440 -0.382 20 0 EBADRP C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC001105326873 821694584 /nfs/dbraw/zinc/69/45/84/821694584.db2.gz KFSXENKJNCQBGQ-STQMWFEESA-N 2 0 336.440 -0.384 20 0 EBADRP Cc1nccn1CC(=O)N(C)C[C@@H]1CCN1[C@H]1CCC(=O)NC1=O ZINC001316608196 821813349 /nfs/dbraw/zinc/81/33/49/821813349.db2.gz FUGHSHJDLOYPPQ-STQMWFEESA-N 2 0 333.392 -0.471 20 0 EBADRP C[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)CCN1CCNC1=O ZINC001316858145 821895096 /nfs/dbraw/zinc/89/50/96/821895096.db2.gz CFXJBFUQZJQOEK-CQSZACIVSA-N 2 0 325.457 -0.209 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001316864714 821897909 /nfs/dbraw/zinc/89/79/09/821897909.db2.gz ANWPXYSVCDDIQM-GFCCVEGCSA-N 2 0 327.429 -0.636 20 0 EBADRP NC(=O)NC(=O)C[N@H+](CCCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001316926558 821920953 /nfs/dbraw/zinc/92/09/53/821920953.db2.gz DBDAFRGATVKSSK-UHFFFAOYSA-N 2 0 325.413 -0.752 20 0 EBADRP CC(C)NC(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001317068052 821992813 /nfs/dbraw/zinc/99/28/13/821992813.db2.gz ONODAOAEBZFLIB-KGLIPLIRSA-N 2 0 325.457 -0.164 20 0 EBADRP CS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001317125534 822010844 /nfs/dbraw/zinc/01/08/44/822010844.db2.gz BVSUYSVNALOTHL-GUTXKFCHSA-N 2 0 344.481 -0.742 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001317244194 822045451 /nfs/dbraw/zinc/04/54/51/822045451.db2.gz HAWIEXZSRJFOTQ-OLZOCXBDSA-N 2 0 339.440 -0.493 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C(=O)NCC[NH2+]CCO)C1 ZINC001317289623 822066013 /nfs/dbraw/zinc/06/60/13/822066013.db2.gz BRDZAWHZIKSZLF-GJZGRUSLSA-N 2 0 340.468 -0.593 20 0 EBADRP COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001317307810 822077701 /nfs/dbraw/zinc/07/77/01/822077701.db2.gz STSOGNCPTOWFIR-AWEZNQCLSA-N 2 0 338.452 -0.575 20 0 EBADRP O=C(CCC[NH+]1CCCC1)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001317310685 822078493 /nfs/dbraw/zinc/07/84/93/822078493.db2.gz WPHWSSIAXFGSCC-UONOGXRCSA-N 2 0 336.436 -0.142 20 0 EBADRP CC(=O)NCCOCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001317329301 822085058 /nfs/dbraw/zinc/08/50/58/822085058.db2.gz FEVJVTPPPNYEOB-JKSUJKDBSA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001317331726 822085464 /nfs/dbraw/zinc/08/54/64/822085464.db2.gz UITNPOFNDXSDPI-QWHCGFSZSA-N 2 0 337.424 -0.930 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)CCN1C(=O)CNC1=O ZINC001317471903 822124908 /nfs/dbraw/zinc/12/49/08/822124908.db2.gz QTZIIPNWUTVWPJ-ZDUSSCGKSA-N 2 0 339.440 -0.539 20 0 EBADRP CN(CC[NH2+]CCN1CCCS1(=O)=O)C(=O)C12CC[NH+](CC1)C2 ZINC001317656073 822193982 /nfs/dbraw/zinc/19/39/82/822193982.db2.gz WMHUKOUZDVDAFM-UHFFFAOYSA-N 2 0 344.481 -0.834 20 0 EBADRP CC(C)NC(=O)C[NH2+]CCN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001317665436 822198068 /nfs/dbraw/zinc/19/80/68/822198068.db2.gz UJTXBWBYKBOXQM-AWEZNQCLSA-N 2 0 328.457 -0.473 20 0 EBADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001106590858 822292798 /nfs/dbraw/zinc/29/27/98/822292798.db2.gz BUDMOMKSVPMGPO-CHWSQXEVSA-N 2 0 335.456 -0.264 20 0 EBADRP C[C@@H](COCC(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1)[NH+]1CCCC1 ZINC001106680927 822311099 /nfs/dbraw/zinc/31/10/99/822311099.db2.gz MUXSOCDGHQOFKA-QLFBSQMISA-N 2 0 340.468 -0.343 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1 ZINC001106840460 822339109 /nfs/dbraw/zinc/33/91/09/822339109.db2.gz NYCBKVQVLVJTRE-CHWSQXEVSA-N 2 0 338.456 -0.366 20 0 EBADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106874561 822346943 /nfs/dbraw/zinc/34/69/43/822346943.db2.gz KZTAMKOJMKLFMD-FRRDWIJNSA-N 2 0 339.440 -0.793 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CCOCCO ZINC001106880489 822347094 /nfs/dbraw/zinc/34/70/94/822347094.db2.gz KTMLKJOPGULMTC-HUUCEWRRSA-N 2 0 331.457 -0.742 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)[C@H](C)C1 ZINC001106910626 822352689 /nfs/dbraw/zinc/35/26/89/822352689.db2.gz HCURNPAUSUOXDO-MCIONIFRSA-N 2 0 338.452 -0.183 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCN(c2cccc(C[NH2+]CCO)n2)C1 ZINC001128135909 828420544 /nfs/dbraw/zinc/42/05/44/828420544.db2.gz CETIFUGXEJJWGD-MRXNPFEDSA-N 2 0 347.463 -0.046 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]CC(=O)NCCCOC ZINC001128533638 828471165 /nfs/dbraw/zinc/47/11/65/828471165.db2.gz PGBLRLJRBMPQDN-ZDUSSCGKSA-N 2 0 334.436 -0.475 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+][C@H](C)C(=O)NCCCOC ZINC001128552673 828474283 /nfs/dbraw/zinc/47/42/83/828474283.db2.gz RRPBPYUVMYTRQF-ZIAGYGMSSA-N 2 0 348.463 -0.087 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001128786852 828526625 /nfs/dbraw/zinc/52/66/25/828526625.db2.gz XDWXVAQHMAWCJA-CQSZACIVSA-N 2 0 348.513 -0.152 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001128784520 828526684 /nfs/dbraw/zinc/52/66/84/828526684.db2.gz NQHUJNVLYWWWFV-VXGBXAGGSA-N 2 0 327.429 -0.589 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001128787253 828526758 /nfs/dbraw/zinc/52/67/58/828526758.db2.gz XWGKVDYLEVNIDE-GJZGRUSLSA-N 2 0 340.468 -0.281 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001128787254 828526799 /nfs/dbraw/zinc/52/67/99/828526799.db2.gz XWGKVDYLEVNIDE-HUUCEWRRSA-N 2 0 340.468 -0.281 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOCCNC(C)=O ZINC001128784880 828527002 /nfs/dbraw/zinc/52/70/02/828527002.db2.gz NZVKCJXBVTVVMK-HNNXBMFYSA-N 2 0 328.457 -0.281 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106984096 823712222 /nfs/dbraw/zinc/71/22/22/823712222.db2.gz YBTUECSWTHGVDC-HUUCEWRRSA-N 2 0 337.468 -0.209 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106981374 823712555 /nfs/dbraw/zinc/71/25/55/823712555.db2.gz LNJSDDUFWGEZSA-HZSPNIEDSA-N 2 0 346.497 -0.829 20 0 EBADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCCOC)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129276742 828589046 /nfs/dbraw/zinc/58/90/46/828589046.db2.gz TZDURJMWUJMNDE-ILXRZTDVSA-N 2 0 338.456 -0.004 20 0 EBADRP C[NH+](C)C1(C(=O)NCC[NH2+]CC(=O)Nc2nncs2)CCC1 ZINC001129357506 828604444 /nfs/dbraw/zinc/60/44/44/828604444.db2.gz MXGLKYYLZVNGQO-UHFFFAOYSA-N 2 0 326.426 -0.333 20 0 EBADRP C[NH+](C)C1(C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)CCC1 ZINC001129357503 828604670 /nfs/dbraw/zinc/60/46/70/828604670.db2.gz MVBYXFWZUSZUKG-UHFFFAOYSA-N 2 0 332.470 -0.788 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129363587 828604707 /nfs/dbraw/zinc/60/47/07/828604707.db2.gz KAQHDHWEMQXEQS-JSGCOSHPSA-N 2 0 326.441 -0.530 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001129358651 828604752 /nfs/dbraw/zinc/60/47/52/828604752.db2.gz VXGFHDMXADCDSA-CYBMUJFWSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)C(=O)N(C)C ZINC001129364309 828605862 /nfs/dbraw/zinc/60/58/62/828605862.db2.gz RWAGRYSHKHQBDT-DZGCQCFKSA-N 2 0 340.468 -0.188 20 0 EBADRP CN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1=O ZINC001129364119 828606349 /nfs/dbraw/zinc/60/63/49/828606349.db2.gz PJAIEMHDDBKSSN-HUUCEWRRSA-N 2 0 338.452 -0.434 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCOC)C[C@@H]1n1ccnn1 ZINC001129407744 828614632 /nfs/dbraw/zinc/61/46/32/828614632.db2.gz VSRBQENFKDANJA-CABCVRRESA-N 2 0 338.456 -0.002 20 0 EBADRP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129397309 828613144 /nfs/dbraw/zinc/61/31/44/828613144.db2.gz SVWUIPTYLMLTAO-KFWWJZLASA-N 2 0 338.456 -0.268 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430312 828617169 /nfs/dbraw/zinc/61/71/69/828617169.db2.gz SHIHZMWVUSOISN-GFCCVEGCSA-N 2 0 325.413 -0.706 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129444330 828620664 /nfs/dbraw/zinc/62/06/64/828620664.db2.gz RMSBRVLMDLJCIX-ZDUSSCGKSA-N 2 0 334.486 -0.686 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129448598 828621517 /nfs/dbraw/zinc/62/15/17/828621517.db2.gz CHRYCBMSBFOQFD-AAEUAGOBSA-N 2 0 341.456 -0.345 20 0 EBADRP C[N@H+](CC(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1)C1CCC1 ZINC001129535576 828632263 /nfs/dbraw/zinc/63/22/63/828632263.db2.gz XHZIZMRMMIKFQV-CVEARBPZSA-N 2 0 343.468 -0.267 20 0 EBADRP C[N@H+](CC(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1)C1CCC1 ZINC001129535574 828632335 /nfs/dbraw/zinc/63/23/35/828632335.db2.gz XGPRHJLJGXATPW-OAHLLOKOSA-N 2 0 343.468 -0.267 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C[N@H+](C)C1CCC1)C(=O)NC[C@@H]1CCCO1 ZINC001129535357 828632393 /nfs/dbraw/zinc/63/23/93/828632393.db2.gz OGNWBDWICSHOOP-HIFRSBDPSA-N 2 0 340.468 -0.140 20 0 EBADRP CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)COCC[NH+](C)C)C2 ZINC001108801242 824439175 /nfs/dbraw/zinc/43/91/75/824439175.db2.gz YTEMHMXYGPFJIE-KKUMJFAQSA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)C1CC1 ZINC001129892422 828689046 /nfs/dbraw/zinc/68/90/46/828689046.db2.gz WTYFNRZYZBSFDB-ILXRZTDVSA-N 2 0 336.440 -0.658 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129856114 828682676 /nfs/dbraw/zinc/68/26/76/828682676.db2.gz NXOBPBQVKKPPNY-AWEZNQCLSA-N 2 0 328.457 -0.281 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CC(=O)NCC(F)(F)F)[NH+](C)C ZINC001129947276 828698815 /nfs/dbraw/zinc/69/88/15/828698815.db2.gz RMYXHPCEFKQXFQ-NSHDSACASA-N 2 0 326.363 -0.043 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1)[NH+](C)C ZINC001129950208 828699758 /nfs/dbraw/zinc/69/97/58/828699758.db2.gz OLELIMMJCLITGR-HOCLYGCPSA-N 2 0 345.484 -0.165 20 0 EBADRP COCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001129992082 828709418 /nfs/dbraw/zinc/70/94/18/828709418.db2.gz KNXPLDLSDUZRRH-CABCVRRESA-N 2 0 336.440 -0.392 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@@H](C)COC)[C@@H](n2ccnn2)C1 ZINC001130074878 828728223 /nfs/dbraw/zinc/72/82/23/828728223.db2.gz INNOFAOLHNJEMM-ZNMIVQPWSA-N 2 0 338.456 -0.004 20 0 EBADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1 ZINC001130091233 828730499 /nfs/dbraw/zinc/73/04/99/828730499.db2.gz HFPLGJJFOFZWAI-ZNMIVQPWSA-N 2 0 348.451 -0.250 20 0 EBADRP COCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130095035 828731453 /nfs/dbraw/zinc/73/14/53/828731453.db2.gz YCSPQQFAIDCNIJ-CABCVRRESA-N 2 0 338.456 -0.002 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@@H](C)OC)[C@@H](n2ccnn2)C1 ZINC001130107649 828732779 /nfs/dbraw/zinc/73/27/79/828732779.db2.gz TZTPSPVXFYKLEO-KFWWJZLASA-N 2 0 338.456 -0.004 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1 ZINC001130107636 828733151 /nfs/dbraw/zinc/73/31/51/828733151.db2.gz SXNIKBDQQSDJQC-CABCVRRESA-N 2 0 338.456 -0.002 20 0 EBADRP CCOCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130125232 828737346 /nfs/dbraw/zinc/73/73/46/828737346.db2.gz CXJDVFTZNXSLGN-CABCVRRESA-N 2 0 336.440 -0.248 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130186135 828749010 /nfs/dbraw/zinc/74/90/10/828749010.db2.gz BHRIYXFAJBGDNR-NWDGAFQWSA-N 2 0 325.413 -0.835 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130189004 828751776 /nfs/dbraw/zinc/75/17/76/828751776.db2.gz LOSSEPZMBBTBAH-KBPBESRZSA-N 2 0 346.497 -0.352 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001130230606 828761625 /nfs/dbraw/zinc/76/16/25/828761625.db2.gz OZLTWEPUNXREOU-UHFFFAOYSA-N 2 0 340.468 -0.327 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1)C(=O)NC1CC1 ZINC001130232248 828762542 /nfs/dbraw/zinc/76/25/42/828762542.db2.gz PRFKJPSZKHCWLZ-CYBMUJFWSA-N 2 0 340.468 -0.282 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130298163 828777240 /nfs/dbraw/zinc/77/72/40/828777240.db2.gz XHUVCMFITQVZEP-RYUDHWBXSA-N 2 0 327.429 -0.589 20 0 EBADRP C[NH+](C)CCC(=O)NCc1c[nH]nc1[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001130414992 828822084 /nfs/dbraw/zinc/82/20/84/828822084.db2.gz BJBKZUZIOSQWKW-OCCSQVGLSA-N 2 0 348.451 -0.345 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001179650992 832997094 /nfs/dbraw/zinc/99/70/94/832997094.db2.gz AUPAFPOONWWFBH-AAEUAGOBSA-N 2 0 339.440 -0.508 20 0 EBADRP C[NH+](C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]21)C1CC1 ZINC001114405691 826236581 /nfs/dbraw/zinc/23/65/81/826236581.db2.gz YIJLWAGNIFBBPG-ABFRBSLYSA-N 2 0 334.464 -0.005 20 0 EBADRP C[NH+](C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]21)C1CC1 ZINC001114410607 826236862 /nfs/dbraw/zinc/23/68/62/826236862.db2.gz WOGDBOPMJFVFMY-JJXSEGSLSA-N 2 0 334.464 -0.101 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21)C12CCC[NH+](CCC1)C2 ZINC001114456415 826255758 /nfs/dbraw/zinc/25/57/58/826255758.db2.gz UJSYGUOLGQKSIH-ZSHCYNCHSA-N 2 0 337.464 -0.082 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2CN(CCS(C)(=O)=O)C[C@H]21 ZINC001114488501 826264184 /nfs/dbraw/zinc/26/41/84/826264184.db2.gz OEGNLGPGJMMAJU-ITGUQSILSA-N 2 0 331.482 -0.192 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCCCCC[NH2+][C@@H]1CCNC1=O ZINC001180060855 833038205 /nfs/dbraw/zinc/03/82/05/833038205.db2.gz RIFNUUOXLXFQNG-CQSZACIVSA-N 2 0 328.457 -0.281 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)[C@@H]1C ZINC001179982733 833031495 /nfs/dbraw/zinc/03/14/95/833031495.db2.gz DUMCSTLIEKCEJQ-AGIUHOORSA-N 2 0 341.456 -0.249 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001114745556 826331233 /nfs/dbraw/zinc/33/12/33/826331233.db2.gz BXRBEVNGRMPPJY-AIANPOQGSA-N 2 0 335.452 -0.368 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H](O)Cn4cccn4)C[C@H]32)CC1 ZINC001114743475 826331457 /nfs/dbraw/zinc/33/14/57/826331457.db2.gz KAVKQESPYLBQRY-CAOSSQGBSA-N 2 0 347.463 -0.368 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001114837689 826352012 /nfs/dbraw/zinc/35/20/12/826352012.db2.gz JQZMYUMPZPHYCI-NYTXWWLZSA-N 2 0 325.453 -0.228 20 0 EBADRP C[C@@H](COCC(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)[NH+]1CCCC1 ZINC001114853084 826356396 /nfs/dbraw/zinc/35/63/96/826356396.db2.gz XSFJYPXGLDLGNQ-LJIGWXMPSA-N 2 0 325.453 -0.084 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001180226776 833059631 /nfs/dbraw/zinc/05/96/31/833059631.db2.gz LPJHHCYFERAWET-KBPBESRZSA-N 2 0 348.513 -0.155 20 0 EBADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001115292009 826497064 /nfs/dbraw/zinc/49/70/64/826497064.db2.gz JDHIAGDXFOAXJR-QLPKVWCKSA-N 2 0 325.453 -0.082 20 0 EBADRP COCCOC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115303282 826503046 /nfs/dbraw/zinc/50/30/46/826503046.db2.gz AIKOTIXDRRLEHJ-AIANPOQGSA-N 2 0 343.468 -0.603 20 0 EBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC001118268607 826893762 /nfs/dbraw/zinc/89/37/62/826893762.db2.gz SAYCADPOTBAYQM-UHFFFAOYSA-N 2 0 339.484 -0.673 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[C@@H]1[NH3+] ZINC001118491461 826941286 /nfs/dbraw/zinc/94/12/86/826941286.db2.gz WFCRUSIYWFNEAO-SNPRPXQTSA-N 2 0 338.452 -0.448 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N(C)CCC[NH3+])CC[C@H]1[NH+]1CCN(C)CC1 ZINC001118573621 826961599 /nfs/dbraw/zinc/96/15/99/826961599.db2.gz DQTYXIHCNAEKQH-LSDHHAIUSA-N 2 0 339.484 -0.722 20 0 EBADRP COC[C@@H](C)NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001119132119 827069968 /nfs/dbraw/zinc/06/99/68/827069968.db2.gz GXMYLGUEYGSGNA-MGPQQGTHSA-N 2 0 328.457 -0.665 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001119365650 827102842 /nfs/dbraw/zinc/10/28/42/827102842.db2.gz UNVCMKNRIHIIOD-KBPBESRZSA-N 2 0 339.484 -0.533 20 0 EBADRP CCC[NH2+]CCNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001119421454 827107861 /nfs/dbraw/zinc/10/78/61/827107861.db2.gz XKOPOPADLKULIB-HUUCEWRRSA-N 3 0 341.500 -0.700 20 0 EBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC001119608635 827125292 /nfs/dbraw/zinc/12/52/92/827125292.db2.gz WCPUKKGXUKZKCF-GMTAPVOTSA-N 2 0 336.358 -0.256 20 0 EBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001119704099 827135840 /nfs/dbraw/zinc/13/58/40/827135840.db2.gz ZNGZYCHCYHQIPO-DVOMOZLQSA-N 2 0 326.441 -0.903 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001119945049 827164688 /nfs/dbraw/zinc/16/46/88/827164688.db2.gz CERZMBNLOHUUPO-SEBNEYGDSA-N 2 0 338.452 -0.770 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]CC(=O)NC(N)=O)CCCCC2)C1 ZINC001120130327 827176060 /nfs/dbraw/zinc/17/60/60/827176060.db2.gz WMRQTCYXGXCKQT-GFCCVEGCSA-N 2 0 339.440 -0.458 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001120377789 827202621 /nfs/dbraw/zinc/20/26/21/827202621.db2.gz PSAPQOYKRZUBMT-KKUMJFAQSA-N 2 0 340.468 -0.391 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001120420325 827215893 /nfs/dbraw/zinc/21/58/93/827215893.db2.gz JOWBLWPFLVUYIE-BFHYXJOUSA-N 2 0 326.441 -0.578 20 0 EBADRP C[NH+](C)CCCC(=O)NC1CC2(C1)CC([NH2+]CC(=O)NC(N)=O)C2 ZINC001121653170 827417950 /nfs/dbraw/zinc/41/79/50/827417950.db2.gz APPSXUQKZXYUOT-UHFFFAOYSA-N 2 0 339.440 -0.460 20 0 EBADRP [NH3+]CCNCC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001122018674 827503751 /nfs/dbraw/zinc/50/37/51/827503751.db2.gz SXEWWQHWQDFCKK-UHFFFAOYSA-N 2 0 339.484 -0.625 20 0 EBADRP C[NH+](C)CCOCC(=O)NC1CC2(C1)CC([NH2+]CCOCCO)C2 ZINC001122064277 827514315 /nfs/dbraw/zinc/51/43/15/827514315.db2.gz WYLAUMIQKIXCBM-UHFFFAOYSA-N 2 0 343.468 -0.410 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC001122185859 827540495 /nfs/dbraw/zinc/54/04/95/827540495.db2.gz BXYQUNIQUYKALO-VZHDMLGISA-N 2 0 338.452 -0.543 20 0 EBADRP CN1CCN(C(=O)c2cnn3cc(CC[NH3+])cnc23)CC[N@H+](C)CC1 ZINC001122291038 827568236 /nfs/dbraw/zinc/56/82/36/827568236.db2.gz OAMYWKUOSYLVDA-UHFFFAOYSA-N 2 0 345.451 -0.450 20 0 EBADRP CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001182624054 833249259 /nfs/dbraw/zinc/24/92/59/833249259.db2.gz XZYBGNKYUYQVJM-KGLIPLIRSA-N 2 0 344.481 -0.932 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001182670537 833251319 /nfs/dbraw/zinc/25/13/19/833251319.db2.gz QNDJJHYIHMDYKK-CHWSQXEVSA-N 2 0 336.440 -0.617 20 0 EBADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001182670230 833251404 /nfs/dbraw/zinc/25/14/04/833251404.db2.gz KWEYCSZMIAEGEG-KGLIPLIRSA-N 2 0 339.440 -0.744 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001182683924 833252398 /nfs/dbraw/zinc/25/23/98/833252398.db2.gz GOTBHVLMRQMSOG-MGPQQGTHSA-N 2 0 331.482 -0.048 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3cnccn3)C2)CC[N@@H+]1C ZINC001182676322 833252849 /nfs/dbraw/zinc/25/28/49/833252849.db2.gz HBMYJTWKLXUVTJ-MGPQQGTHSA-N 2 0 346.435 -0.054 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001182982843 833272163 /nfs/dbraw/zinc/27/21/63/833272163.db2.gz VMDQBYIXKYVXNC-CHWSQXEVSA-N 2 0 337.461 -0.099 20 0 EBADRP CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124866563 827969645 /nfs/dbraw/zinc/96/96/45/827969645.db2.gz FVAFYUHQDNMBFY-STQMWFEESA-N 2 0 341.456 -0.343 20 0 EBADRP Cc1cc(N2CC[C@@H]([NH2+]CCNC(=O)[C@H]3CCC[N@@H+]3C)C2=O)n(C)n1 ZINC001124867428 827969709 /nfs/dbraw/zinc/96/97/09/827969709.db2.gz VQNMLYMLVALILV-ZIAGYGMSSA-N 2 0 348.451 -0.366 20 0 EBADRP Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)[C@H]3CCC[N@@H+]3C)C2=O)n1 ZINC001124866376 827969997 /nfs/dbraw/zinc/96/99/97/827969997.db2.gz BHRBNKYVOFMQHJ-CHWSQXEVSA-N 2 0 334.424 -0.675 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F ZINC001124879300 827973450 /nfs/dbraw/zinc/97/34/50/827973450.db2.gz RHHLOPASKSSIEH-QWRGUYRKSA-N 2 0 327.347 -0.274 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@]1(C)CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001183164968 833282572 /nfs/dbraw/zinc/28/25/72/833282572.db2.gz HWWLUFQGOQURLH-BFYDXBDKSA-N 2 0 345.484 -0.354 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001183229256 833284287 /nfs/dbraw/zinc/28/42/87/833284287.db2.gz GNUGLOAIFGFZBO-LLVKDONJSA-N 2 0 325.413 -0.883 20 0 EBADRP C[NH+](C)C1(C(=O)N2CC[C@@H]([NH2+]C[C@@H](O)Cn3cccn3)C2)CCC1 ZINC001183240695 833284802 /nfs/dbraw/zinc/28/48/02/833284802.db2.gz PPUKODVZLNZGBD-HUUCEWRRSA-N 2 0 335.452 -0.081 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001183288726 833285851 /nfs/dbraw/zinc/28/58/51/833285851.db2.gz LYMYZVHESIBONW-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001183392600 833288992 /nfs/dbraw/zinc/28/89/92/833288992.db2.gz YRSVFELDZFXJCH-ZIAGYGMSSA-N 2 0 346.497 -0.400 20 0 EBADRP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1)[NH+](C)C ZINC001183450329 833290864 /nfs/dbraw/zinc/29/08/64/833290864.db2.gz PIRKSRGHICETDB-TUAOUCFPSA-N 2 0 327.429 -0.654 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001127081778 828248826 /nfs/dbraw/zinc/24/88/26/828248826.db2.gz BIWRMSOBIIMYHA-GJZGRUSLSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001127327255 828278553 /nfs/dbraw/zinc/27/85/53/828278553.db2.gz IVEOYOYWZCSKSU-LLVKDONJSA-N 2 0 327.429 -0.460 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001183978177 833315216 /nfs/dbraw/zinc/31/52/16/833315216.db2.gz OUULHGYOMFIEBD-GFCCVEGCSA-N 2 0 344.375 -0.406 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)NC[C@H]1CCOC1 ZINC001127481180 828297648 /nfs/dbraw/zinc/29/76/48/828297648.db2.gz QOLDNERUQJECEK-UKRRQHHQSA-N 2 0 338.452 -0.813 20 0 EBADRP O=C(NCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001127481053 828298209 /nfs/dbraw/zinc/29/82/09/828298209.db2.gz ODWJCEYQGNCMFH-DZGCQCFKSA-N 2 0 343.493 -0.141 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F)CC[N@@H+]1C ZINC001127637910 828308315 /nfs/dbraw/zinc/30/83/15/828308315.db2.gz CEEXRASMHBKXDE-GRYCIOLGSA-N 2 0 341.374 -0.028 20 0 EBADRP COc1nccc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001127777678 828324211 /nfs/dbraw/zinc/32/42/11/828324211.db2.gz BAWLUQKZXGDXNY-ZIAGYGMSSA-N 2 0 335.408 -0.446 20 0 EBADRP CC(C)(C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127778458 828325125 /nfs/dbraw/zinc/32/51/25/828325125.db2.gz FJTDCHCLACHEER-QWHCGFSZSA-N 2 0 326.441 -0.530 20 0 EBADRP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)nn1 ZINC001127778847 828326227 /nfs/dbraw/zinc/32/62/27/828326227.db2.gz GVDSVKRHLSROKP-KBPBESRZSA-N 2 0 335.408 -0.446 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130532129 828875416 /nfs/dbraw/zinc/87/54/16/828875416.db2.gz VUCRJJIIQXRHCY-NWANDNLSSA-N 2 0 348.451 -0.856 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001130713745 828920683 /nfs/dbraw/zinc/92/06/83/828920683.db2.gz ZWZKAIYYBFCRHB-CVEARBPZSA-N 2 0 345.484 -0.164 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130805880 828944283 /nfs/dbraw/zinc/94/42/83/828944283.db2.gz QZTQVHGRVOBBAI-UHFFFAOYSA-N 2 0 325.413 -0.834 20 0 EBADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001184857936 833341602 /nfs/dbraw/zinc/34/16/02/833341602.db2.gz BYOKKKLZEHEGHW-QLFBSQMISA-N 2 0 329.441 -0.705 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001184867389 833341964 /nfs/dbraw/zinc/34/19/64/833341964.db2.gz DKTFYYAVWAQCTH-JHJVBQTASA-N 2 0 339.440 -0.495 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)c2ccn3c[nH+]cc3c2)CCO1 ZINC001130874798 828985461 /nfs/dbraw/zinc/98/54/61/828985461.db2.gz OAOHDPGXXZYUAQ-ZDUSSCGKSA-N 2 0 345.403 -0.099 20 0 EBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185028805 833345224 /nfs/dbraw/zinc/34/52/24/833345224.db2.gz FKYMCOABHWBGTR-CHWSQXEVSA-N 2 0 341.456 -0.403 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185222459 833350550 /nfs/dbraw/zinc/35/05/50/833350550.db2.gz WPAFESZCHFOQGN-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cncn1C ZINC001131121116 829047217 /nfs/dbraw/zinc/04/72/17/829047217.db2.gz NGXXMGBFSWFQTN-RBSFLKMASA-N 2 0 335.452 -0.098 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCc2cccnc2)C1 ZINC001185384953 833357186 /nfs/dbraw/zinc/35/71/86/833357186.db2.gz HWEKYXLSGYAIFL-OAHLLOKOSA-N 2 0 333.436 -0.160 20 0 EBADRP CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1)[NH+](C)C ZINC001185446883 833358715 /nfs/dbraw/zinc/35/87/15/833358715.db2.gz SPPKGLYONXGABD-ZIAGYGMSSA-N 2 0 348.513 -0.346 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1)[NH+](CC)CC ZINC001185609079 833363055 /nfs/dbraw/zinc/36/30/55/833363055.db2.gz CRSIEBDPFODJJO-CHWSQXEVSA-N 2 0 341.456 -0.247 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131374875 829118786 /nfs/dbraw/zinc/11/87/86/829118786.db2.gz MEWKGDFPGPVUEW-UHFFFAOYSA-N 2 0 339.421 -0.407 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1)[NH+](C)C ZINC001185715879 833367938 /nfs/dbraw/zinc/36/79/38/833367938.db2.gz KXSHEMFVHNACSL-OLZOCXBDSA-N 2 0 339.440 -0.495 20 0 EBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1=O ZINC001131522152 829153579 /nfs/dbraw/zinc/15/35/79/829153579.db2.gz UPTRAMPKNVAUPV-DLOXAQCQSA-N 2 0 336.436 -0.824 20 0 EBADRP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131525648 829154668 /nfs/dbraw/zinc/15/46/68/829154668.db2.gz DGLCQHIWKHAUDJ-ZBUZPQQSSA-N 2 0 338.452 -0.530 20 0 EBADRP C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@]2(CC[N@H+](CCO)C2)O1 ZINC001131694097 829188367 /nfs/dbraw/zinc/18/83/67/829188367.db2.gz UHCIRBJYCKYTJL-GOEBONIOSA-N 2 0 329.441 -0.751 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790628 829217461 /nfs/dbraw/zinc/21/74/61/829217461.db2.gz REYRDXVQDVLIRE-HOTGVXAUSA-N 2 0 343.468 -0.410 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001131798910 829223523 /nfs/dbraw/zinc/22/35/23/829223523.db2.gz DBJLIMLREYDUOJ-UHFFFAOYSA-N 2 0 341.456 -0.340 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132284069 829406018 /nfs/dbraw/zinc/40/60/18/829406018.db2.gz UYTJYDNSSQHKRH-UHFFFAOYSA-N 2 0 348.513 -0.104 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186529746 833404682 /nfs/dbraw/zinc/40/46/82/833404682.db2.gz ATQVZSRGEZHCKY-CQSZACIVSA-N 2 0 340.468 -0.342 20 0 EBADRP O=C(C[NH+]1CCCC1)N1C[C@@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186552603 833405657 /nfs/dbraw/zinc/40/56/57/833405657.db2.gz IPCUSVLPPDJHNJ-OAHLLOKOSA-N 2 0 325.453 -0.081 20 0 EBADRP O=C(C[NH+]1CCCC1)N1C[C@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186552602 833405674 /nfs/dbraw/zinc/40/56/74/833405674.db2.gz IPCUSVLPPDJHNJ-HNNXBMFYSA-N 2 0 325.453 -0.081 20 0 EBADRP C[C@H]1CC[C@H](NC(=O)COCC[NH+](C)C)C[N@@H+]1CCn1cncn1 ZINC001132426285 829454770 /nfs/dbraw/zinc/45/47/70/829454770.db2.gz VEJUXJFUDKDXOC-GJZGRUSLSA-N 2 0 338.456 -0.175 20 0 EBADRP CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001186616716 833410084 /nfs/dbraw/zinc/41/00/84/833410084.db2.gz XAQYZBGGRYMDSG-CQSZACIVSA-N 2 0 340.468 -0.188 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+]CCOCCNC(C)=O)C1 ZINC001132737817 829512035 /nfs/dbraw/zinc/51/20/35/829512035.db2.gz QXMZFKYBPJILLD-INIZCTEOSA-N 2 0 342.484 -0.033 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001132844871 829532855 /nfs/dbraw/zinc/53/28/55/829532855.db2.gz XEGBYEJOVYOEDJ-AWEZNQCLSA-N 2 0 326.441 -0.578 20 0 EBADRP CC(C)NC(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848881 829534506 /nfs/dbraw/zinc/53/45/06/829534506.db2.gz VJNHUHLHCOYJGY-AWEZNQCLSA-N 2 0 343.472 -0.491 20 0 EBADRP CC(C)N1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1=O ZINC001132852108 829536084 /nfs/dbraw/zinc/53/60/84/829536084.db2.gz HYKCYFOZWLAIOB-CABCVRRESA-N 2 0 340.468 -0.189 20 0 EBADRP CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C1CC1 ZINC001132852174 829536440 /nfs/dbraw/zinc/53/64/40/829536440.db2.gz IZECRSHHJOTVJG-HNNXBMFYSA-N 2 0 340.468 -0.188 20 0 EBADRP CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132852801 829537465 /nfs/dbraw/zinc/53/74/65/829537465.db2.gz UTRBYQSDIPLFFQ-GJZGRUSLSA-N 2 0 342.484 -0.038 20 0 EBADRP CCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132859170 829538793 /nfs/dbraw/zinc/53/87/93/829538793.db2.gz YHDSFFCWXNIJNH-AWEZNQCLSA-N 2 0 328.457 -0.282 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132995601 829568700 /nfs/dbraw/zinc/56/87/00/829568700.db2.gz ZZTBABZOAUVHSE-UHFFFAOYSA-N 2 0 334.486 -0.685 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)CC1 ZINC001132995526 829568817 /nfs/dbraw/zinc/56/88/17/829568817.db2.gz WVOSMNYZHKJOLY-UHFFFAOYSA-N 2 0 341.456 -0.342 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133051822 829578706 /nfs/dbraw/zinc/57/87/06/829578706.db2.gz QEVGPEKNHGIVBE-UHFFFAOYSA-N 2 0 329.445 -0.484 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001133245759 829610531 /nfs/dbraw/zinc/61/05/31/829610531.db2.gz KKHGXNVDDQLLSA-KGLIPLIRSA-N 2 0 328.457 -0.615 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133285947 829614578 /nfs/dbraw/zinc/61/45/78/829614578.db2.gz PMGAMHYQUDBCNA-CYBMUJFWSA-N 2 0 328.457 -0.425 20 0 EBADRP C[NH+]1CCC(C(=O)NCC[NH2+]C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC001133285992 829615054 /nfs/dbraw/zinc/61/50/54/829615054.db2.gz RKXFKRZQYINTHA-HOTGVXAUSA-N 2 0 343.468 -0.410 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)NCCOc1ccccc1 ZINC001133291671 829616965 /nfs/dbraw/zinc/61/69/65/829616965.db2.gz VRSJVLZXHWGWBF-UHFFFAOYSA-N 2 0 336.436 -0.161 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001186816744 833430482 /nfs/dbraw/zinc/43/04/82/833430482.db2.gz GCSUFQMHEKGHFE-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)[NH+](CC)CC ZINC001133690948 829661776 /nfs/dbraw/zinc/66/17/76/829661776.db2.gz XHCVCWBPUWZZCI-LBPRGKRZSA-N 2 0 327.429 -0.636 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001133685355 829662031 /nfs/dbraw/zinc/66/20/31/829662031.db2.gz ULGHQOGQLBDHRN-AWEZNQCLSA-N 2 0 330.473 -0.035 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001133823915 829679595 /nfs/dbraw/zinc/67/95/95/829679595.db2.gz SEUHABIQBNJJSP-CYBMUJFWSA-N 2 0 334.486 -0.542 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F)C1 ZINC001133846367 829685037 /nfs/dbraw/zinc/68/50/37/829685037.db2.gz ZLGWRWJIMKSLAJ-NWDGAFQWSA-N 2 0 341.374 -0.026 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)Nc1ncccn1 ZINC001133845735 829685323 /nfs/dbraw/zinc/68/53/23/829685323.db2.gz MMPAUCPESXWVGG-STQMWFEESA-N 2 0 334.424 -0.149 20 0 EBADRP CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133851059 829687199 /nfs/dbraw/zinc/68/71/99/829687199.db2.gz VYOUUTBYIJJGEE-LSDHHAIUSA-N 2 0 342.484 -0.035 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+][C@H]2CCN(c3ccn(C)n3)C2=O)C1 ZINC001133851124 829687486 /nfs/dbraw/zinc/68/74/86/829687486.db2.gz XHPNIWXQZUPQDA-KBPBESRZSA-N 2 0 348.451 -0.427 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCc1nnnn1CC(F)(F)F ZINC001133861992 829688306 /nfs/dbraw/zinc/68/83/06/829688306.db2.gz AEOICLCHXSJZEE-NXEZZACHSA-N 2 0 349.361 -0.361 20 0 EBADRP CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133867205 829689804 /nfs/dbraw/zinc/68/98/04/829689804.db2.gz RODZIQMVVXQAAW-LSDHHAIUSA-N 2 0 342.484 -0.179 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001133864159 829689911 /nfs/dbraw/zinc/68/99/11/829689911.db2.gz WAIFCWFDVLPMOQ-STQMWFEESA-N 2 0 337.472 -0.126 20 0 EBADRP CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211093648 837387581 /nfs/dbraw/zinc/38/75/81/837387581.db2.gz YGGUDZJXMGZYEU-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001133896517 829695196 /nfs/dbraw/zinc/69/51/96/829695196.db2.gz LXRIFVCUDRUYPD-CYBMUJFWSA-N 2 0 331.482 -0.141 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133896688 829695308 /nfs/dbraw/zinc/69/53/08/829695308.db2.gz OLKUCEHLTDTXNV-LLVKDONJSA-N 2 0 327.429 -0.732 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133908416 829697461 /nfs/dbraw/zinc/69/74/61/829697461.db2.gz QHMAKUHCHUXMMQ-LLVKDONJSA-N 2 0 329.445 -0.486 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)[NH+](C)C ZINC001133965695 829706616 /nfs/dbraw/zinc/70/66/16/829706616.db2.gz FPBICTRWJRWFIS-KBPBESRZSA-N 2 0 336.440 -0.429 20 0 EBADRP C[C@H](COCC(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O)[NH+]1CCCC1 ZINC001134021116 829713469 /nfs/dbraw/zinc/71/34/69/829713469.db2.gz RNWGXRDRGNUMGQ-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP COCCOCC[NH2+]CCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134020849 829713664 /nfs/dbraw/zinc/71/36/64/829713664.db2.gz IJPBDPBWMBZXIC-HNNXBMFYSA-N 2 0 331.457 -0.144 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134582979 829796861 /nfs/dbraw/zinc/79/68/61/829796861.db2.gz CMDUXYDTHXEZRG-VXGBXAGGSA-N 2 0 341.456 -0.201 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001134736367 829837309 /nfs/dbraw/zinc/83/73/09/829837309.db2.gz DATGBLJTCHKPDP-CHWSQXEVSA-N 2 0 328.457 -0.297 20 0 EBADRP C[C@H](C(=O)NCC[NH2+]CC(=O)N1CCOCC1)[NH+]1CCCCCC1 ZINC001134756216 829840192 /nfs/dbraw/zinc/84/01/92/829840192.db2.gz AIHHUMUPPGNZPF-OAHLLOKOSA-N 2 0 340.468 -0.185 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001134766709 829840893 /nfs/dbraw/zinc/84/08/93/829840893.db2.gz LKBOLEIGAUHRLW-JKSUJKDBSA-N 2 0 345.484 -0.021 20 0 EBADRP CN(CC[NH2+]CCNC(=O)CC1CC[NH+](C)CC1)S(C)(=O)=O ZINC001134780624 829845046 /nfs/dbraw/zinc/84/50/46/829845046.db2.gz OSGHJJGLWFKWSU-UHFFFAOYSA-N 2 0 334.486 -0.685 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135095390 829897362 /nfs/dbraw/zinc/89/73/62/829897362.db2.gz GNRSCOJGPMIMNP-HUUCEWRRSA-N 2 0 340.468 -0.138 20 0 EBADRP CCn1nnc(C)c1C[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135115217 829900082 /nfs/dbraw/zinc/90/00/82/829900082.db2.gz YALFJAPCJLZGHK-UHFFFAOYSA-N 2 0 348.455 -0.116 20 0 EBADRP Cn1cc(CC[NH2+]CCNC(=O)c2cnn(CC[NH+](C)C)c2)cn1 ZINC001135118699 829900476 /nfs/dbraw/zinc/90/04/76/829900476.db2.gz PZGUROXCOYTORZ-UHFFFAOYSA-N 2 0 333.440 -0.260 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001135299031 829941382 /nfs/dbraw/zinc/94/13/82/829941382.db2.gz SMWSGXOKRVPDAC-NEPJUHHUSA-N 2 0 338.456 -0.177 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)CCC[NH+](C)C ZINC001135315440 829943748 /nfs/dbraw/zinc/94/37/48/829943748.db2.gz OMMRYKDVBHKGBW-QWHCGFSZSA-N 2 0 336.502 -0.250 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)CCC[NH+](C)C ZINC001135315442 829944098 /nfs/dbraw/zinc/94/40/98/829944098.db2.gz OMMRYKDVBHKGBW-STQMWFEESA-N 2 0 336.502 -0.250 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)CC[NH+](C)C ZINC001135373634 829956159 /nfs/dbraw/zinc/95/61/59/829956159.db2.gz XPSFDFLRXQNMRM-VXGBXAGGSA-N 2 0 341.456 -0.201 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CCN1C(=O)CCC1=O)NC(=O)CC[NH+](C)C ZINC001135380261 829956382 /nfs/dbraw/zinc/95/63/82/829956382.db2.gz XJCQGJRVEIYULG-STQMWFEESA-N 2 0 326.441 -0.040 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001135511128 829978487 /nfs/dbraw/zinc/97/84/87/829978487.db2.gz JOBKTFKLDSHFKN-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001135511553 829978955 /nfs/dbraw/zinc/97/89/55/829978955.db2.gz SNSOYILZWBIMPH-CYBMUJFWSA-N 2 0 334.486 -0.685 20 0 EBADRP CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135512903 829979425 /nfs/dbraw/zinc/97/94/25/829979425.db2.gz BDBAXPMAXBCKSF-CQSZACIVSA-N 2 0 330.473 -0.035 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC001135512894 829979661 /nfs/dbraw/zinc/97/96/61/829979661.db2.gz AXERQGHAOCEORX-AWEZNQCLSA-N 2 0 336.440 -0.427 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135706778 830014062 /nfs/dbraw/zinc/01/40/62/830014062.db2.gz DJAYUIYVWVPPOK-ZDUSSCGKSA-N 2 0 341.456 -0.342 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001135743281 830018294 /nfs/dbraw/zinc/01/82/94/830018294.db2.gz HVMWSYPNNWFMHY-RYUDHWBXSA-N 2 0 326.445 -0.177 20 0 EBADRP CC(C)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135924658 830047698 /nfs/dbraw/zinc/04/76/98/830047698.db2.gz UXKQGFKRWWRXHH-KGLIPLIRSA-N 2 0 330.473 -0.038 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001135952469 830049493 /nfs/dbraw/zinc/04/94/93/830049493.db2.gz CUXFCFWXHWOFQX-STQMWFEESA-N 2 0 346.497 -0.496 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]C[C@H]2CCNC(=O)CC2)CC1 ZINC001135959885 830051765 /nfs/dbraw/zinc/05/17/65/830051765.db2.gz UQOLOAMEDKSQMM-CQSZACIVSA-N 2 0 340.468 -0.281 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CCN(C)S(C)(=O)=O)NC(=O)C[NH+]1CCCC1 ZINC001146338688 830193021 /nfs/dbraw/zinc/19/30/21/830193021.db2.gz GZDSWTVIBSHYCQ-UONOGXRCSA-N 2 0 348.513 -0.154 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CCC[NH+]1CCCC1 ZINC001146537574 830207111 /nfs/dbraw/zinc/20/71/11/830207111.db2.gz YJRSFQBQVNINIV-STQMWFEESA-N 2 0 341.456 -0.070 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146590953 830211601 /nfs/dbraw/zinc/21/16/01/830211601.db2.gz DXHFWXOTCYIFAY-RYUDHWBXSA-N 2 0 329.445 -0.345 20 0 EBADRP CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[N@H+](C)CC ZINC001146711355 830222485 /nfs/dbraw/zinc/22/24/85/830222485.db2.gz QNZBLQOLQHDSNY-CQSZACIVSA-N 2 0 330.473 -0.035 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NCC(C)C ZINC001146710727 830223215 /nfs/dbraw/zinc/22/32/15/830223215.db2.gz LYMYJDVRKFJRMQ-ZDUSSCGKSA-N 2 0 343.472 -0.096 20 0 EBADRP C[NH+](C)[C@@](C)(C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O)c1ccccc1 ZINC001147410800 830338632 /nfs/dbraw/zinc/33/86/32/830338632.db2.gz VQOPJBWGKBUPCV-RDTXWAMCSA-N 2 0 346.431 -0.026 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)[C@](C)(c1ccccc1)[NH+](C)C)C(=O)NC(N)=O ZINC001147430085 830342369 /nfs/dbraw/zinc/34/23/69/830342369.db2.gz YLVYMZLOJZXFOJ-PXAZEXFGSA-N 2 0 349.435 -0.247 20 0 EBADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001147835745 830417799 /nfs/dbraw/zinc/41/77/99/830417799.db2.gz VHQYSNBVTDAQNB-KGLIPLIRSA-N 2 0 325.457 -0.162 20 0 EBADRP CNC(=O)c1ccc(C[NH2+]CCNC(=O)COCC[NH+](C)C)cc1 ZINC001147841263 830418957 /nfs/dbraw/zinc/41/89/57/830418957.db2.gz BRDLEDZETZGMHJ-UHFFFAOYSA-N 2 0 336.436 -0.170 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC(=O)NC1CCCCC1 ZINC001147841804 830419300 /nfs/dbraw/zinc/41/93/00/830419300.db2.gz IKVKIHSIKZGYAN-UHFFFAOYSA-N 2 0 328.457 -0.281 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001147848594 830420797 /nfs/dbraw/zinc/42/07/97/830420797.db2.gz REUNRRDZINOXNI-CYBMUJFWSA-N 2 0 335.470 -0.905 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)Nc1ncccn1 ZINC001147885861 830425652 /nfs/dbraw/zinc/42/56/52/830425652.db2.gz PXAFJGKMGIOCCO-CHWSQXEVSA-N 2 0 334.424 -0.149 20 0 EBADRP C[C@H]1CCCC[C@H]1NC(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147893966 830427344 /nfs/dbraw/zinc/42/73/44/830427344.db2.gz WEGLXNOKNQXVFU-LSDHHAIUSA-N 2 0 342.484 -0.035 20 0 EBADRP Cc1cc(NC(=O)[C@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C)on1 ZINC001147892995 830427530 /nfs/dbraw/zinc/42/75/30/830427530.db2.gz NDHZDSTXDRRMTG-LBPRGKRZSA-N 2 0 341.412 -0.406 20 0 EBADRP O=C(NCC[NH2+]C[C@H]1CCCS(=O)(=O)C1)C12CC[NH+](CC1)C2 ZINC001147977354 830433801 /nfs/dbraw/zinc/43/38/01/830433801.db2.gz PMZMCCCYAXKRIZ-CYBMUJFWSA-N 2 0 329.466 -0.387 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)C[C@H](C)O1 ZINC001147995061 830435473 /nfs/dbraw/zinc/43/54/73/830435473.db2.gz XMFUMCXIEBNLFZ-KBPBESRZSA-N 2 0 338.452 -0.576 20 0 EBADRP CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147999610 830436845 /nfs/dbraw/zinc/43/68/45/830436845.db2.gz ABQHGQQCNWBNLI-UHFFFAOYSA-N 2 0 340.468 -0.281 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C12CC[NH+](CC1)C2)C(=O)NC[C@H]1CCCO1 ZINC001148000020 830437014 /nfs/dbraw/zinc/43/70/14/830437014.db2.gz IHDJNEOBZHAWNU-UONOGXRCSA-N 2 0 338.452 -0.528 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001148057822 830445341 /nfs/dbraw/zinc/44/53/41/830445341.db2.gz MDBMMOAEWGCHJW-UHFFFAOYSA-N 2 0 348.407 -0.591 20 0 EBADRP C[NH+](C)CCCCC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001148365068 830475147 /nfs/dbraw/zinc/47/51/47/830475147.db2.gz FXWJKHZDVLNNRR-UHFFFAOYSA-N 2 0 327.429 -0.634 20 0 EBADRP C[NH+](C)CCCCC(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001148359723 830475162 /nfs/dbraw/zinc/47/51/62/830475162.db2.gz AERWVWMQSFICOA-AWEZNQCLSA-N 2 0 328.457 -0.593 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)CCCC[NH+](C)C)CCO1 ZINC001148365397 830475479 /nfs/dbraw/zinc/47/54/79/830475479.db2.gz OIVGFYCFNILVSX-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001148611776 830518317 /nfs/dbraw/zinc/51/83/17/830518317.db2.gz NBPCDYBZFCQOEC-LBPRGKRZSA-N 2 0 349.435 -0.800 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC[C@H]1CCCO1 ZINC001148655181 830524342 /nfs/dbraw/zinc/52/43/42/830524342.db2.gz JMTMNSHARBDHAQ-ZIAGYGMSSA-N 2 0 328.457 -0.282 20 0 EBADRP C[N@H+](CC(=O)NC[C@@H]1C[NH+](CCOCCO)CCCO1)C1CCC1 ZINC001149855035 830765966 /nfs/dbraw/zinc/76/59/66/830765966.db2.gz UKQFQQPFTCYHBZ-MRXNPFEDSA-N 2 0 343.468 -0.313 20 0 EBADRP CC[C@H](C(=O)NC[C@H]1C[N@H+](C[C@@H](O)COC)CCCO1)[NH+](C)C ZINC001149889467 830777045 /nfs/dbraw/zinc/77/70/45/830777045.db2.gz OHPCEENIWBOSNC-QLFBSQMISA-N 2 0 331.457 -0.459 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001150291868 830858642 /nfs/dbraw/zinc/85/86/42/830858642.db2.gz PILSDJJARFWVTQ-OWCLPIDISA-N 2 0 345.484 -0.213 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150714271 830969019 /nfs/dbraw/zinc/96/90/19/830969019.db2.gz CFLKYGZAIFLITC-GJZGRUSLSA-N 2 0 329.441 -0.703 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](CCO)CCCO1 ZINC001150724992 830971916 /nfs/dbraw/zinc/97/19/16/830971916.db2.gz SJDUOTAMVBSSSA-LSDHHAIUSA-N 2 0 329.441 -0.846 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCOC[C@H]2C2CC2)C1 ZINC001151058116 831018092 /nfs/dbraw/zinc/01/80/92/831018092.db2.gz WOQVJLAJRNTQNF-GJZGRUSLSA-N 2 0 338.452 -0.719 20 0 EBADRP Cc1nn(C)c(C)c1NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151065465 831019168 /nfs/dbraw/zinc/01/91/68/831019168.db2.gz JWIGOXSLXGBDGH-CYBMUJFWSA-N 2 0 336.440 -0.367 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151073469 831022917 /nfs/dbraw/zinc/02/29/17/831022917.db2.gz LWJRKHICVWVBBB-RYUDHWBXSA-N 2 0 327.429 -0.733 20 0 EBADRP CC1(C)NC(=O)N(CC[NH2+]CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001151106815 831026112 /nfs/dbraw/zinc/02/61/12/831026112.db2.gz IXTADHATKGCJRT-UHFFFAOYSA-N 2 0 325.413 -0.882 20 0 EBADRP CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151107677 831027126 /nfs/dbraw/zinc/02/71/26/831027126.db2.gz ZSBSGPUDRZCLHW-AWEZNQCLSA-N 2 0 328.457 -0.281 20 0 EBADRP CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151107678 831028073 /nfs/dbraw/zinc/02/80/73/831028073.db2.gz ZSBSGPUDRZCLHW-CQSZACIVSA-N 2 0 328.457 -0.281 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001151152259 831031579 /nfs/dbraw/zinc/03/15/79/831031579.db2.gz MGXGNGZVQIBNQR-AWEZNQCLSA-N 2 0 326.441 -0.717 20 0 EBADRP Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@H](C)C[NH+]2CCOCC2)n1 ZINC001151156335 831032790 /nfs/dbraw/zinc/03/27/90/831032790.db2.gz AMGDKSVAHYBGRP-CYBMUJFWSA-N 2 0 338.456 -0.431 20 0 EBADRP CCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151156488 831033970 /nfs/dbraw/zinc/03/39/70/831033970.db2.gz DOUWGVWJPWCQPX-GJZGRUSLSA-N 2 0 342.484 -0.035 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCOC[C@H]1CCCO1 ZINC001151156505 831034953 /nfs/dbraw/zinc/03/49/53/831034953.db2.gz DWANACLLIWMHMC-HZPDHXFCSA-N 2 0 343.468 -0.144 20 0 EBADRP CCN(C(=O)C[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001151159346 831036797 /nfs/dbraw/zinc/03/67/97/831036797.db2.gz SGWOZIHPHLFITD-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152145620 831134336 /nfs/dbraw/zinc/13/43/36/831134336.db2.gz CRSOGUWUGHVHLJ-CHWSQXEVSA-N 2 0 341.456 -0.199 20 0 EBADRP O=C(CC[NH+]1CCCCC1)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001152340306 831154111 /nfs/dbraw/zinc/15/41/11/831154111.db2.gz LDPLGAQNSVRXBJ-HNNXBMFYSA-N 2 0 340.468 -0.137 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)s1 ZINC001152427360 831163317 /nfs/dbraw/zinc/16/33/17/831163317.db2.gz XGCPKJDQVXUHBN-UHFFFAOYSA-N 2 0 328.442 -0.169 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001152433194 831163473 /nfs/dbraw/zinc/16/34/73/831163473.db2.gz WUHQKOBTZYRZOK-UHFFFAOYSA-N 2 0 329.445 -0.343 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001152457685 831165382 /nfs/dbraw/zinc/16/53/82/831165382.db2.gz HBBAHAITZCXXBF-NWDGAFQWSA-N 2 0 327.429 -0.589 20 0 EBADRP [NH3+]CC1CN([C@@H]2CCCN(c3cncc(N4CC[NH2+]CC4)n3)C2)C1 ZINC001155377563 831402800 /nfs/dbraw/zinc/40/28/00/831402800.db2.gz SBQBWURSXFXOBD-OAHLLOKOSA-N 2 0 331.468 -0.255 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155790636 831430394 /nfs/dbraw/zinc/43/03/94/831430394.db2.gz KRBGKYMVQXEBOI-RYUDHWBXSA-N 2 0 327.429 -0.589 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001155812928 831432102 /nfs/dbraw/zinc/43/21/02/831432102.db2.gz QJUMBLYFUSPBIQ-UONOGXRCSA-N 2 0 346.497 -0.542 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001155821688 831433874 /nfs/dbraw/zinc/43/38/74/831433874.db2.gz CINJWVLOMRSQEY-GOEBONIOSA-N 2 0 343.468 -0.267 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155822676 831433951 /nfs/dbraw/zinc/43/39/51/831433951.db2.gz XSEQEZDUOWSXIC-ZDUSSCGKSA-N 2 0 341.456 -0.198 20 0 EBADRP COC(=O)C1(Nc2ncccc2C(=O)N2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001156536385 831481559 /nfs/dbraw/zinc/48/15/59/831481559.db2.gz SYIGOZUQJVCMDA-UHFFFAOYSA-N 2 0 347.419 -0.166 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](C)[C@@H](OC)[C@@H]1CCC[NH2+]1 ZINC001157335690 831554787 /nfs/dbraw/zinc/55/47/87/831554787.db2.gz IPWKGEBUDXLMOJ-ZOBORPQBSA-N 2 0 328.457 -0.251 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)C(=O)N1CCCC1 ZINC001157370981 831562052 /nfs/dbraw/zinc/56/20/52/831562052.db2.gz LROYGICRBCKXIC-ZQDZILKHSA-N 2 0 337.468 -0.828 20 0 EBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157378851 831562855 /nfs/dbraw/zinc/56/28/55/831562855.db2.gz DUGFIKWNWVIQGO-XCMOZONUSA-N 2 0 346.497 -0.682 20 0 EBADRP CN(Cc1ncccn1)C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001157682124 831585102 /nfs/dbraw/zinc/58/51/02/831585102.db2.gz WQGMXHFSEWACHM-KBPBESRZSA-N 2 0 348.451 -0.118 20 0 EBADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H]([NH3+])C1CCC2(CC1)OCCO2 ZINC001157720448 831588366 /nfs/dbraw/zinc/58/83/66/831588366.db2.gz JGEQXTSPNVGVTA-KGLIPLIRSA-N 2 0 327.425 -0.306 20 0 EBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CCC[C@H](C[NH3+])[C@@H]2C)COC1(C)C ZINC001157841209 831596595 /nfs/dbraw/zinc/59/65/95/831596595.db2.gz FQQCQEFKVUQTIX-RVMXOQNASA-N 2 0 326.441 -0.117 20 0 EBADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001157845192 831597569 /nfs/dbraw/zinc/59/75/69/831597569.db2.gz BAQYWRZEQQISBX-AGIUHOORSA-N 2 0 328.457 -0.169 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001157893467 831603490 /nfs/dbraw/zinc/60/34/90/831603490.db2.gz HPZKIYQBEBKISV-HZPDHXFCSA-N 2 0 345.484 -0.021 20 0 EBADRP Cc1ccc(C[C@H]([NH3+])C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)c(C)c1 ZINC001158093149 831627206 /nfs/dbraw/zinc/62/72/06/831627206.db2.gz UZERDCUSRJLSNF-YJBOKZPZSA-N 2 0 330.432 -0.136 20 0 EBADRP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158112205 831629276 /nfs/dbraw/zinc/62/92/76/831629276.db2.gz WWYIAUFPFURYOL-PSTGCABASA-N 2 0 338.452 -0.545 20 0 EBADRP [NH3+]CCc1ccc(CC(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)cc1 ZINC001158120246 831629764 /nfs/dbraw/zinc/62/97/64/831629764.db2.gz LAYQVVMTRBOQPF-LJQANCHMSA-N 2 0 342.443 -0.332 20 0 EBADRP [NH3+]CCc1ccc(CC(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)cc1 ZINC001158120245 831629869 /nfs/dbraw/zinc/62/98/69/831629869.db2.gz LAYQVVMTRBOQPF-IBGZPJMESA-N 2 0 342.443 -0.332 20 0 EBADRP O=C([C@H]1[NH2+]Cc2ccccc21)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119907 831629930 /nfs/dbraw/zinc/62/99/30/831629930.db2.gz JAGBOJOEYHVLKQ-KSSFIOAISA-N 2 0 326.400 -0.231 20 0 EBADRP O=C(C[C@H]1C[NH2+]CC1(F)F)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120195 831629950 /nfs/dbraw/zinc/62/99/50/831629950.db2.gz KCODBMBDCCSJLS-HZMBPMFUSA-N 2 0 328.363 -0.831 20 0 EBADRP C[NH2+]Cc1ccc(C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)cc1 ZINC001158121243 831630763 /nfs/dbraw/zinc/63/07/63/831630763.db2.gz YSNNHUCFONWGIX-GOSISDBHSA-N 2 0 328.416 -0.042 20 0 EBADRP O=C([C@H]1Cn2ccnc2C12CC[NH2+]CC2)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167439 831634164 /nfs/dbraw/zinc/63/41/64/831634164.db2.gz JHOZSPUMOLGJFI-RBSFLKMASA-N 2 0 345.447 -0.419 20 0 EBADRP O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCC2(CCC[NH2+]2)CC1 ZINC001158168492 831635344 /nfs/dbraw/zinc/63/53/44/831635344.db2.gz GNKYZCUZNJFDNL-GFCCVEGCSA-N 2 0 327.450 -0.492 20 0 EBADRP O=C([C@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCC2(CCC[NH2+]2)CC1 ZINC001158168566 831635427 /nfs/dbraw/zinc/63/54/27/831635427.db2.gz IDVMOOFLLSONOO-CYBMUJFWSA-N 2 0 345.451 -0.331 20 0 EBADRP CN(CC[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)S(C)(=O)=O ZINC001158197353 831638787 /nfs/dbraw/zinc/63/87/87/831638787.db2.gz XAEKZRHSGKLOPE-CQSZACIVSA-N 2 0 346.497 -0.685 20 0 EBADRP COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C2 ZINC001158235779 831639857 /nfs/dbraw/zinc/63/98/57/831639857.db2.gz QMZAEPHOTBYXLU-XEZPLFJOSA-N 2 0 327.425 -0.306 20 0 EBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260774 831641116 /nfs/dbraw/zinc/64/11/16/831641116.db2.gz GVKSGNOVJOBKKX-AWEZNQCLSA-N 3 0 349.483 -0.242 20 0 EBADRP O=C(C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260824 831641755 /nfs/dbraw/zinc/64/17/55/831641755.db2.gz IBWIDRYNZBLAHD-BFHYXJOUSA-N 2 0 346.435 -0.534 20 0 EBADRP O=C([C@H]1C[NH2+]CCC1(F)F)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277901 831643045 /nfs/dbraw/zinc/64/30/45/831643045.db2.gz WXDDICAKZVQOLA-LLVKDONJSA-N 2 0 340.378 -0.056 20 0 EBADRP CCn1ncc(C[NH2+]CCCNC(=O)c2ccn(CC[NH+](C)C)n2)n1 ZINC001158287756 831644045 /nfs/dbraw/zinc/64/40/45/831644045.db2.gz JIGRDWMAZYXVOF-UHFFFAOYSA-N 2 0 348.455 -0.034 20 0 EBADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCC2(CC1)COCC(=O)N2 ZINC001158325490 831645981 /nfs/dbraw/zinc/64/59/81/831645981.db2.gz BTNCCGJGUNRSKY-CYBMUJFWSA-N 2 0 336.436 -0.632 20 0 EBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC001158319636 831646364 /nfs/dbraw/zinc/64/63/64/831646364.db2.gz KLGMMNXHDLZARP-LSDHHAIUSA-N 2 0 326.400 -0.165 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158334596 831647320 /nfs/dbraw/zinc/64/73/20/831647320.db2.gz AUJHYUGOVDBEIY-RCCFBDPRSA-N 3 0 343.475 -0.165 20 0 EBADRP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1CC[NH2+]1)C2 ZINC001158379841 831650534 /nfs/dbraw/zinc/65/05/34/831650534.db2.gz BCWIKGDISPKIJA-ZWKOPEQDSA-N 2 0 335.326 -0.108 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158390261 831650582 /nfs/dbraw/zinc/65/05/82/831650582.db2.gz UBGHKMWLLPBNAI-RBSFLKMASA-N 2 0 342.484 -0.036 20 0 EBADRP O=C(c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158429799 831654894 /nfs/dbraw/zinc/65/48/94/831654894.db2.gz BIKXKHUPRGSOEW-SNPRPXQTSA-N 2 0 342.403 -0.033 20 0 EBADRP CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001158430189 831655095 /nfs/dbraw/zinc/65/50/95/831655095.db2.gz DVRYTMYTYBYFGO-LBPRGKRZSA-N 2 0 336.396 -0.876 20 0 EBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158486142 831659101 /nfs/dbraw/zinc/65/91/01/831659101.db2.gz GQOFNPMFLJAWAK-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP CCCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158486278 831659108 /nfs/dbraw/zinc/65/91/08/831659108.db2.gz IVCSXOQXXLOMGY-LSDHHAIUSA-N 2 0 340.468 -0.138 20 0 EBADRP O=C(NCCC[NH2+]Cc1nnnn1C1CC1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158487277 831659998 /nfs/dbraw/zinc/65/99/98/831659998.db2.gz XPGCVXZIWNDIKL-KBPBESRZSA-N 2 0 349.439 -0.533 20 0 EBADRP O=C(NCCC[NH2+]Cc1nnnn1C1CC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158487279 831660272 /nfs/dbraw/zinc/66/02/72/831660272.db2.gz XPGCVXZIWNDIKL-KGLIPLIRSA-N 2 0 349.439 -0.533 20 0 EBADRP O=C(NCCC[NH2+]CCN1CCCC1=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158505367 831660892 /nfs/dbraw/zinc/66/08/92/831660892.db2.gz BYKOUHUMRBBQGI-GJZGRUSLSA-N 2 0 338.452 -0.432 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001158496421 831661140 /nfs/dbraw/zinc/66/11/40/831661140.db2.gz MZSAGBVMDVBKAZ-BCUIYNNISA-N 2 0 325.409 -0.757 20 0 EBADRP O=C([C@H]1C[NH2+]CC12CCOCC2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158532601 831662937 /nfs/dbraw/zinc/66/29/37/831662937.db2.gz CTQZWAZWDWURPM-LUXYFRNMSA-N 2 0 335.448 -0.018 20 0 EBADRP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C34C[NH2+]C4)C[C@@H]2CF)CC1 ZINC001158567704 831666671 /nfs/dbraw/zinc/66/66/71/831666671.db2.gz KHVRJZNUVVXQRV-QJPTWQEYSA-N 2 0 345.440 -0.702 20 0 EBADRP [NH3+]CCNCC(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158659072 831676234 /nfs/dbraw/zinc/67/62/34/831676234.db2.gz OKLXROUCXOOKPS-UHFFFAOYSA-N 2 0 331.380 -0.808 20 0 EBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)C[C@H]1COCC[NH2+]1)CC2 ZINC001158890759 831693631 /nfs/dbraw/zinc/69/36/31/831693631.db2.gz MFNFBRZRKWKJQJ-AWEZNQCLSA-N 2 0 338.452 -0.432 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@H]2[C@H]1CC(=O)N2c1cnn(C)c1 ZINC001159085892 831707989 /nfs/dbraw/zinc/70/79/89/831707989.db2.gz YVDUUGUQKAYJLP-SOUVJXGZSA-N 2 0 348.451 -0.157 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCc2nnc(Cn3cccc3)n2CC1 ZINC001159103226 831709458 /nfs/dbraw/zinc/70/94/58/831709458.db2.gz MSOGPJMFKOZWMG-ZDUSSCGKSA-N 2 0 331.424 -0.421 20 0 EBADRP C[C@@H]([NH3+])C(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001159124632 831710204 /nfs/dbraw/zinc/71/02/04/831710204.db2.gz OXRNTZBRCLJKEV-TZMCWYRMSA-N 2 0 336.440 -0.300 20 0 EBADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)CNC2CC[NH2+]CC2)C1 ZINC001159132524 831710261 /nfs/dbraw/zinc/71/02/61/831710261.db2.gz AHRJRAOONRGLBA-CQSZACIVSA-N 2 0 334.468 -0.255 20 0 EBADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001159133003 831711032 /nfs/dbraw/zinc/71/10/32/831711032.db2.gz GLLVKMMZDMRUCT-IIDMSEBBSA-N 3 0 346.479 -0.398 20 0 EBADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001159134036 831711276 /nfs/dbraw/zinc/71/12/76/831711276.db2.gz MCVKAYUFGMFTCT-KBPBESRZSA-N 3 0 332.452 -0.788 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001159155094 831712043 /nfs/dbraw/zinc/71/20/43/831712043.db2.gz ISZNCELPMILAHO-LBPRGKRZSA-N 2 0 347.435 -0.392 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001159155850 831712571 /nfs/dbraw/zinc/71/25/71/831712571.db2.gz UVNQQQLTNNRPGV-CQSZACIVSA-N 2 0 348.463 -0.085 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001159155655 831712622 /nfs/dbraw/zinc/71/26/22/831712622.db2.gz SEPCUZQXLXUIAU-VXGBXAGGSA-N 2 0 330.404 -0.433 20 0 EBADRP N[C@@H](C[NH3+])C(=O)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001159235933 831726475 /nfs/dbraw/zinc/72/64/75/831726475.db2.gz HWZQNPBUEFYUHR-ZDUSSCGKSA-N 2 0 329.408 -0.757 20 0 EBADRP CCOC[C@@H]1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])Cc2cnn(C)c21 ZINC001159402532 831750388 /nfs/dbraw/zinc/75/03/88/831750388.db2.gz HHBHYGRLCHXTAH-STQMWFEESA-N 2 0 341.481 -0.098 20 0 EBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC001159436529 831752637 /nfs/dbraw/zinc/75/26/37/831752637.db2.gz QXUUJCOUNUIIET-QKPAOTATSA-N 2 0 335.448 -0.020 20 0 EBADRP [NH3+]CCOCCOCCNc1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001159445869 831752964 /nfs/dbraw/zinc/75/29/64/831752964.db2.gz XBMILEODIXLQCB-UHFFFAOYSA-N 2 0 337.424 -0.469 20 0 EBADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@H]1C[NH2+]C[C@H]1O)C2 ZINC001159482074 831755582 /nfs/dbraw/zinc/75/55/82/831755582.db2.gz YINMJTSBAJFDPM-KYHPRHEASA-N 2 0 337.464 -0.226 20 0 EBADRP CC(C)CC(=O)NC[C@]12COC[C@H]1CN(C(=O)C[NH2+]CCC[NH3+])C2 ZINC001159541109 831760757 /nfs/dbraw/zinc/76/07/57/831760757.db2.gz QKPQUBNKEUUQCS-PBHICJAKSA-N 2 0 340.468 -0.438 20 0 EBADRP N[C@@H](C[NH3+])C(=O)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1 ZINC001159574167 831761073 /nfs/dbraw/zinc/76/10/73/831761073.db2.gz OEWYLGNGKURNPQ-ZDUSSCGKSA-N 2 0 345.451 -0.496 20 0 EBADRP O=C([C@@H]1C[NH2+]C[C@H]1O)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159559927 831761780 /nfs/dbraw/zinc/76/17/80/831761780.db2.gz FJHPHXWSKQQGAZ-CZUORRHYSA-N 2 0 333.436 -0.162 20 0 EBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC[C@@H]2C1 ZINC001159635157 831767379 /nfs/dbraw/zinc/76/73/79/831767379.db2.gz IKSFUYJBKOXRKP-OWCLPIDISA-N 3 0 342.484 -0.362 20 0 EBADRP [NH3+][C@@H]1CN[C@H](C(=O)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)C1 ZINC001159667156 831771982 /nfs/dbraw/zinc/77/19/82/831771982.db2.gz SZFASHQSZVCQPC-YVSFHVDLSA-N 2 0 345.447 -0.428 20 0 EBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001159847189 831788260 /nfs/dbraw/zinc/78/82/60/831788260.db2.gz UTJCMURNQFFIDB-CHWSQXEVSA-N 2 0 341.456 -0.356 20 0 EBADRP COC[C@@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159854639 831788560 /nfs/dbraw/zinc/78/85/60/831788560.db2.gz PGFODSZIZJZASL-CABCVRRESA-N 2 0 345.484 -0.021 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159854724 831789272 /nfs/dbraw/zinc/78/92/72/831789272.db2.gz RSADWZMTTAIOLH-CQSZACIVSA-N 2 0 331.457 -0.410 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001159874610 831790748 /nfs/dbraw/zinc/79/07/48/831790748.db2.gz UIVHVMCHDZSCNU-WMLDXEAASA-N 2 0 348.451 -0.259 20 0 EBADRP CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001159869070 831791091 /nfs/dbraw/zinc/79/10/91/831791091.db2.gz RXVCMUPOWMBTHI-HNNXBMFYSA-N 2 0 340.468 -0.138 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001159911420 831796924 /nfs/dbraw/zinc/79/69/24/831796924.db2.gz YLEUEEGZYXKMJP-CHWSQXEVSA-N 2 0 341.456 -0.071 20 0 EBADRP Cc1ccc(N(C(=O)C[C@H](O)C[NH3+])[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160051824 831809994 /nfs/dbraw/zinc/80/99/94/831809994.db2.gz JZNMEFQCDRDNFW-ZQIUZPCESA-N 2 0 349.435 -0.261 20 0 EBADRP [NH3+]CCNCC(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160139393 831818958 /nfs/dbraw/zinc/81/89/58/831818958.db2.gz YVXZLUQRVLQEJE-VBQJREDUSA-N 2 0 333.436 -0.270 20 0 EBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160154973 831819388 /nfs/dbraw/zinc/81/93/88/831819388.db2.gz CDBSKAKMDDINMT-XHSDSOJGSA-N 2 0 333.436 -0.389 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160427448 831847960 /nfs/dbraw/zinc/84/79/60/831847960.db2.gz RLNIGHDOSSLDBM-ZDUSSCGKSA-N 2 0 336.502 -0.392 20 0 EBADRP C[NH2+]CC1CCN(C(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)[NH3+])CC1 ZINC001160459538 831853505 /nfs/dbraw/zinc/85/35/05/831853505.db2.gz NCXQIGCMWMYXHS-AAEUAGOBSA-N 2 0 326.441 -0.245 20 0 EBADRP CCOC(=O)[C@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCO1 ZINC001160597244 831868930 /nfs/dbraw/zinc/86/89/30/831868930.db2.gz RCXADDJDHZYXDE-QWHCGFSZSA-N 2 0 325.409 -0.349 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CN(Cc3ccccc3)CC23C[NH2+]C3)CCO1 ZINC001160644138 831874383 /nfs/dbraw/zinc/87/43/83/831874383.db2.gz UHORTXMLFYSBJS-IRXDYDNUSA-N 2 0 344.459 -0.106 20 0 EBADRP [NH3+][C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CN(c2ccccc2)C3)C[C@H]1O ZINC001160655471 831876594 /nfs/dbraw/zinc/87/65/94/831876594.db2.gz NEXFNTDFLFEBKZ-GFOCRRMGSA-N 2 0 330.432 -0.367 20 0 EBADRP CN(C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C1CCS(=O)(=O)CC1 ZINC001160718521 831880515 /nfs/dbraw/zinc/88/05/15/831880515.db2.gz LDWHFYKVFYBZBM-ZDUSSCGKSA-N 2 0 329.466 -0.104 20 0 EBADRP [NH3+][C@H](C(=O)N1CCC(OCC(=O)NC2CC2)CC1)C1CC[NH2+]CC1 ZINC001160742514 831880925 /nfs/dbraw/zinc/88/09/25/831880925.db2.gz OMPDFARLXCPUNQ-INIZCTEOSA-N 2 0 338.452 -0.401 20 0 EBADRP CCNC(=O)CO[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001160746834 831881939 /nfs/dbraw/zinc/88/19/39/831881939.db2.gz NMVHOHRSRWEFLD-UONOGXRCSA-N 2 0 328.457 -0.024 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]([NH3+])Cn3cccn3)C[C@H]1C[NH2+]CC2 ZINC001160805965 831889410 /nfs/dbraw/zinc/88/94/10/831889410.db2.gz IUVFJPFQHLHYCL-DVOMOZLQSA-N 2 0 335.408 -0.788 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)C3(O)CC[NH2+]CC3)C[C@H]1C[NH2+]CC2 ZINC001160810537 831889642 /nfs/dbraw/zinc/88/96/42/831889642.db2.gz BYXZZNFFPGWXOO-IUODEOHRSA-N 2 0 325.409 -0.898 20 0 EBADRP CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160823490 831891985 /nfs/dbraw/zinc/89/19/85/831891985.db2.gz HGJRTNXIZKQEON-WCQYABFASA-N 2 0 333.392 -0.792 20 0 EBADRP CC[C@H](C(=O)NCCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)[NH+](C)C ZINC001160882997 831903045 /nfs/dbraw/zinc/90/30/45/831903045.db2.gz DTVVPFILVDMGOS-UONOGXRCSA-N 2 0 348.513 -0.296 20 0 EBADRP CC[C@H](C(=O)NCCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)[NH+](C)C ZINC001160889057 831904178 /nfs/dbraw/zinc/90/41/78/831904178.db2.gz AVRBFXPPESBMGK-CHWSQXEVSA-N 2 0 343.472 -0.985 20 0 EBADRP CC[C@H](C(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O)[NH+](C)C ZINC001160890141 831904184 /nfs/dbraw/zinc/90/41/84/831904184.db2.gz WGSKXZTVUBGPES-GFCCVEGCSA-N 2 0 327.429 -0.636 20 0 EBADRP Cn1nncc1C[NH2+]CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001160951090 831909357 /nfs/dbraw/zinc/90/93/57/831909357.db2.gz DPKGFDONRXXBJE-UHFFFAOYSA-N 2 0 338.456 -0.231 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001161041806 831916117 /nfs/dbraw/zinc/91/61/17/831916117.db2.gz MAZDROWPVFLSCV-LSDHHAIUSA-N 2 0 340.468 -0.138 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161043013 831917206 /nfs/dbraw/zinc/91/72/06/831917206.db2.gz WIUKXWFADOYMSF-AWEZNQCLSA-N 2 0 348.513 -0.104 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161053498 831918122 /nfs/dbraw/zinc/91/81/22/831918122.db2.gz VBKPVAUNSXQWNW-RYUDHWBXSA-N 2 0 327.429 -0.589 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001161053509 831918665 /nfs/dbraw/zinc/91/86/65/831918665.db2.gz VJFYJKYBNCGAPY-ZDUSSCGKSA-N 2 0 339.440 -0.492 20 0 EBADRP CN(C(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161058562 831919076 /nfs/dbraw/zinc/91/90/76/831919076.db2.gz YCPRJKOSGSGCNE-YNEHKIRRSA-N 2 0 333.440 -0.348 20 0 EBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC001161158635 831933794 /nfs/dbraw/zinc/93/37/94/831933794.db2.gz ZFJPVNBBTLVYPM-RYUDHWBXSA-N 2 0 328.413 -0.935 20 0 EBADRP CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(C(=O)[C@@H]2C[C@@H]([NH3+])CN2)C1 ZINC001161171955 831934355 /nfs/dbraw/zinc/93/43/55/831934355.db2.gz RDGQGILECRFTTB-LOWDOPEQSA-N 2 0 335.408 -0.345 20 0 EBADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1 ZINC001161240377 831940338 /nfs/dbraw/zinc/94/03/38/831940338.db2.gz ZGAIFEWTLFXFAI-SMDDNHRTSA-N 2 0 333.429 -0.700 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC[C@@H](Oc2ncccn2)C1 ZINC001161296679 831944669 /nfs/dbraw/zinc/94/46/69/831944669.db2.gz OQXWGPFPKDIBKQ-CABCVRRESA-N 2 0 348.451 -0.403 20 0 EBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161381264 831951262 /nfs/dbraw/zinc/95/12/62/831951262.db2.gz WYCYDNCWEUWIHH-GJZGRUSLSA-N 2 0 339.484 -0.500 20 0 EBADRP COc1cc(N(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C2CC[NH2+]CC2)ccn1 ZINC001161386516 831952245 /nfs/dbraw/zinc/95/22/45/831952245.db2.gz QZKMRCGCEPIKIS-OAHLLOKOSA-N 3 0 345.447 -0.016 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161389142 831952556 /nfs/dbraw/zinc/95/25/56/831952556.db2.gz NMXXUEOWLAAEKD-HZPDHXFCSA-N 3 0 339.484 -0.940 20 0 EBADRP CN(CCC(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1)c1cc[nH+]cc1 ZINC001161407426 831954060 /nfs/dbraw/zinc/95/40/60/831954060.db2.gz HGIOKXFIXMNXHP-UHFFFAOYSA-N 2 0 347.423 -0.374 20 0 EBADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161448344 831958730 /nfs/dbraw/zinc/95/87/30/831958730.db2.gz BRSJLDYCPNSDOO-RBSFLKMASA-N 3 0 326.441 -0.720 20 0 EBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@@]2(C(=O)OC)CC[NH2+][C@@H]2C1 ZINC001161476790 831962584 /nfs/dbraw/zinc/96/25/84/831962584.db2.gz DPJLADLOEHAMHV-RWSFTLGLSA-N 2 0 327.381 -0.980 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001161481438 831964205 /nfs/dbraw/zinc/96/42/05/831964205.db2.gz SQFYXJWBPUSZFW-XEZPLFJOSA-N 3 0 326.441 -0.414 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)CN(C)[C@@H]1CCC[NH2+]C1)CC2 ZINC001161480642 831964625 /nfs/dbraw/zinc/96/46/25/831964625.db2.gz PVMHJPOOJMPNDW-CPUCHLNUSA-N 2 0 338.452 -0.576 20 0 EBADRP CO[C@@H]1CN(C(=O)[C@@H]2CN(Cc3ccccc3)CC23C[NH2+]C3)C[C@@H]1[NH3+] ZINC001161493572 831965714 /nfs/dbraw/zinc/96/57/14/831965714.db2.gz PGWBTGFMGPYWBQ-YESZJQIVSA-N 2 0 344.459 -0.108 20 0 EBADRP [NH3+][C@H]1CN(C(=O)[C@@H](c2ccco2)N2CCC[NH2+]CC2)CC12COC2 ZINC001161501458 831966687 /nfs/dbraw/zinc/96/66/87/831966687.db2.gz YLBSNNQZTBCANB-LSDHHAIUSA-N 2 0 334.420 -0.198 20 0 EBADRP [NH3+][C@H]1CN(C(=O)[C@H](c2ccco2)N2CCC[NH2+]CC2)CC12COC2 ZINC001161501456 831966705 /nfs/dbraw/zinc/96/67/05/831966705.db2.gz YLBSNNQZTBCANB-GJZGRUSLSA-N 2 0 334.420 -0.198 20 0 EBADRP O=C(c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1)N1CC[NH2+]C2(CC2)C1 ZINC001161561728 831972493 /nfs/dbraw/zinc/97/24/93/831972493.db2.gz WAJRNZSOHOWSBY-AWEZNQCLSA-N 2 0 342.403 -0.032 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC1=CC[N@H+](CCOCCO)CC1 ZINC001161699508 831983596 /nfs/dbraw/zinc/98/35/96/831983596.db2.gz RSQVBFZIHJCGBM-UHFFFAOYSA-N 2 0 343.468 -0.288 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161795635 831992649 /nfs/dbraw/zinc/99/26/49/831992649.db2.gz NAYWWLQEKSEOKI-OAHLLOKOSA-N 2 0 343.468 -0.265 20 0 EBADRP COCC1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCN(CC(N)=O)CC1 ZINC001162326671 832034376 /nfs/dbraw/zinc/03/43/76/832034376.db2.gz HRAZIDISDFGPKG-CQSZACIVSA-N 2 0 340.468 -0.199 20 0 EBADRP COCC1(CNC(=O)CC[NH+](C)C)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001162457903 832047661 /nfs/dbraw/zinc/04/76/61/832047661.db2.gz AUSPAMYTVWHOMI-CYBMUJFWSA-N 2 0 328.457 -0.343 20 0 EBADRP COCC1(CNC(=O)COCC[NH+](C)C)CC[NH+](C[C@H](C)O)CC1 ZINC001162576378 832054053 /nfs/dbraw/zinc/05/40/53/832054053.db2.gz FZPYMYSRCGYYCJ-HNNXBMFYSA-N 2 0 345.484 -0.210 20 0 EBADRP c1cnc(N2CC[NH2+]CC2)c(NCc2nnn3c2C[NH2+]CCC3)n1 ZINC001162971897 832073015 /nfs/dbraw/zinc/07/30/15/832073015.db2.gz AKIFVTNWSZOZBC-UHFFFAOYSA-N 2 0 329.412 -0.417 20 0 EBADRP Cc1cc(OC2CC[NH2+]CC2)nc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)n1 ZINC001163234777 832092039 /nfs/dbraw/zinc/09/20/39/832092039.db2.gz BQWLLVLMWJGYCV-BLLLJJGKSA-N 2 0 332.408 -0.094 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001350069866 832112779 /nfs/dbraw/zinc/11/27/79/832112779.db2.gz SFADPXGMLOOILG-CABCVRRESA-N 2 0 340.468 -0.471 20 0 EBADRP CN(C(=O)COCC[NH+](C)C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001350657123 832182634 /nfs/dbraw/zinc/18/26/34/832182634.db2.gz BFHHSDXJCVPNQB-LSDHHAIUSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001350780337 832193892 /nfs/dbraw/zinc/19/38/92/832193892.db2.gz QKOWJVWCMOSDDH-OAHLLOKOSA-N 2 0 340.468 -0.280 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001164536017 832195280 /nfs/dbraw/zinc/19/52/80/832195280.db2.gz KOPZUPWYQWOJEQ-KBPBESRZSA-N 2 0 326.441 -0.578 20 0 EBADRP COCCOCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001164539352 832195737 /nfs/dbraw/zinc/19/57/37/832195737.db2.gz ZAZZRNLUWBOBCA-HNNXBMFYSA-N 2 0 331.457 -0.146 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001164538421 832195835 /nfs/dbraw/zinc/19/58/35/832195835.db2.gz GVNUSIBMKIGURO-KBPBESRZSA-N 2 0 326.441 -0.530 20 0 EBADRP CCN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1=O ZINC001164536201 832196184 /nfs/dbraw/zinc/19/61/84/832196184.db2.gz NVAJWKCCIUVOOT-LSDHHAIUSA-N 2 0 340.468 -0.188 20 0 EBADRP Cn1nnnc1C[NH2+]CC1(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001164554838 832197284 /nfs/dbraw/zinc/19/72/84/832197284.db2.gz ICFBKDRLZMVEJC-CQSZACIVSA-N 2 0 347.467 -0.072 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)NC(N)=O ZINC001164576723 832199331 /nfs/dbraw/zinc/19/93/31/832199331.db2.gz DMBLNUGPBFHQMR-TUAOUCFPSA-N 2 0 327.429 -0.604 20 0 EBADRP CNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001164596306 832200071 /nfs/dbraw/zinc/20/00/71/832200071.db2.gz DGAANNLJCKZDQB-KBPBESRZSA-N 2 0 338.452 -0.528 20 0 EBADRP COC[C@@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165261679 832209897 /nfs/dbraw/zinc/20/98/97/832209897.db2.gz BWAKSSMNUHSCCN-HUUCEWRRSA-N 2 0 345.484 -0.164 20 0 EBADRP O=C1NCCN(c2nc(Cl)cc(C3CC[NH2+]CC3)n2)C12C[NH2+]C2 ZINC001165298351 832211964 /nfs/dbraw/zinc/21/19/64/832211964.db2.gz QFQBOAORNHHUFF-UHFFFAOYSA-N 2 0 336.827 -0.125 20 0 EBADRP C[NH+](C)CCCC(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001165367293 832217628 /nfs/dbraw/zinc/21/76/28/832217628.db2.gz QFQSVHIHVGBGHR-UHFFFAOYSA-N 2 0 327.429 -0.588 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)CCC[NH+](C)C)CCO1 ZINC001165361132 832218026 /nfs/dbraw/zinc/21/80/26/832218026.db2.gz YUJSWERHGSAHBR-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165772470 832237649 /nfs/dbraw/zinc/23/76/49/832237649.db2.gz RLWOMBPLZKKKQJ-UHFFFAOYSA-N 2 0 341.456 -0.340 20 0 EBADRP CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1)[NH+](C)C ZINC001166011153 832245890 /nfs/dbraw/zinc/24/58/90/832245890.db2.gz YJFSXIYNRQQUSW-GOEBONIOSA-N 2 0 342.484 -0.179 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001351552877 832250079 /nfs/dbraw/zinc/25/00/79/832250079.db2.gz QZRYIFJCROEOPT-FPMFFAJLSA-N 2 0 326.441 -0.714 20 0 EBADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001351582069 832254729 /nfs/dbraw/zinc/25/47/29/832254729.db2.gz MJSSCGXWEIYNNG-CQSZACIVSA-N 2 0 338.452 -0.528 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001166634928 832275584 /nfs/dbraw/zinc/27/55/84/832275584.db2.gz YTCOGPNKUKLFET-AWEZNQCLSA-N 2 0 328.457 -0.281 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001166676900 832279267 /nfs/dbraw/zinc/27/92/67/832279267.db2.gz DTRSIHFSWLMJSG-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001166694090 832279911 /nfs/dbraw/zinc/27/99/11/832279911.db2.gz VLJSGTDILGWFEI-QWHCGFSZSA-N 2 0 339.440 -0.778 20 0 EBADRP N=c1nc([C@H]2CCC[NH2+]2)ccn1-c1ccc(N2CC[NH2+]CC2)nn1 ZINC001166699717 832280919 /nfs/dbraw/zinc/28/09/19/832280919.db2.gz CTHVPIUHQANDJI-GFCCVEGCSA-N 2 0 326.408 -0.024 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)NCc1cccnc1 ZINC001166706988 832281564 /nfs/dbraw/zinc/28/15/64/832281564.db2.gz BYOWCZXWDIWUDC-GDBMZVCRSA-N 2 0 347.463 -0.009 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001166706803 832281818 /nfs/dbraw/zinc/28/18/18/832281818.db2.gz AHWVNFIWVXAQPP-NEPJUHHUSA-N 2 0 327.429 -0.874 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001166707274 832281866 /nfs/dbraw/zinc/28/18/66/832281866.db2.gz FESIRFMZLBMPPC-UONOGXRCSA-N 2 0 326.441 -0.861 20 0 EBADRP C[N@H+](CC(=O)NCCC[NH2+]CCNS(C)(=O)=O)CC(C)(C)C ZINC001166744039 832286318 /nfs/dbraw/zinc/28/63/18/832286318.db2.gz FAKZTWFVGQLKLX-UHFFFAOYSA-N 2 0 336.502 -0.391 20 0 EBADRP Cn1[nH]c(C[NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C)nc1=O ZINC001166744322 832287038 /nfs/dbraw/zinc/28/70/38/832287038.db2.gz QFPWECWYVDPCSZ-UHFFFAOYSA-N 2 0 326.445 -0.318 20 0 EBADRP C[C@H](COCC(=O)NCCC[NH2+][C@@H]1CCNC1=O)[NH+]1CCCC1 ZINC001166931168 832300182 /nfs/dbraw/zinc/30/01/82/832300182.db2.gz QWBFAPDCSWQGPH-ZIAGYGMSSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@@H](COCC(=O)NCCC[NH2+]Cc1nncn1C)[NH+]1CCCC1 ZINC001166931269 832300335 /nfs/dbraw/zinc/30/03/35/832300335.db2.gz TWKWJMOSZRUEIQ-AWEZNQCLSA-N 2 0 338.456 -0.088 20 0 EBADRP COC[C@H](O)C[NH2+]CCCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001166931045 832300618 /nfs/dbraw/zinc/30/06/18/832300618.db2.gz QHMUNRWLRFOTON-HUUCEWRRSA-N 2 0 331.457 -0.410 20 0 EBADRP COC[C@H](O)C[NH2+]CCCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001166931046 832300723 /nfs/dbraw/zinc/30/07/23/832300723.db2.gz QHMUNRWLRFOTON-LSDHHAIUSA-N 2 0 331.457 -0.410 20 0 EBADRP C[NH+]1CCC(CC(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001167667509 832361971 /nfs/dbraw/zinc/36/19/71/832361971.db2.gz KHWZOVMFMBFVEI-UHFFFAOYSA-N 2 0 339.440 -0.634 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167668429 832362206 /nfs/dbraw/zinc/36/22/06/832362206.db2.gz UFGDETOPWHSIQQ-LBPRGKRZSA-N 2 0 341.456 -0.342 20 0 EBADRP CN1CC[C@H]([NH2+]CC2(CCNC(=O)COCC[NH+](C)C)CC2)C1=O ZINC001167736427 832369330 /nfs/dbraw/zinc/36/93/30/832369330.db2.gz ABBLNIMXVJXFFD-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP COC[C@@H](O)C[NH2+]CC1(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001167746690 832369820 /nfs/dbraw/zinc/36/98/20/832369820.db2.gz UVXBMBWNAOVZIH-AWEZNQCLSA-N 2 0 325.453 -0.034 20 0 EBADRP CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)[NH+](C)C ZINC001352957179 832387232 /nfs/dbraw/zinc/38/72/32/832387232.db2.gz KCHKEKBRWGBSSG-KGLIPLIRSA-N 2 0 328.457 -0.378 20 0 EBADRP CCn1ncc(C[NH2+]CCCNC(=O)c2cnn(CC[NH+](C)C)c2)n1 ZINC001168042744 832389767 /nfs/dbraw/zinc/38/97/67/832389767.db2.gz CFIDVVBKCPOFMA-UHFFFAOYSA-N 2 0 348.455 -0.034 20 0 EBADRP C[C@H]([NH2+]CC1(CCNC(=O)C[NH+]2CCCC2)CC1)C(=O)NC(N)=O ZINC001168162183 832400093 /nfs/dbraw/zinc/40/00/93/832400093.db2.gz GDNCMBXPKWHIBD-LBPRGKRZSA-N 2 0 339.440 -0.458 20 0 EBADRP O=C(C[NH+]1CCCC1)NCCC1(C[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001168153210 832400402 /nfs/dbraw/zinc/40/04/02/832400402.db2.gz KDNCRAYWGLFUKJ-ZDUSSCGKSA-N 2 0 336.436 -0.237 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC1(C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001168153529 832400480 /nfs/dbraw/zinc/40/04/80/832400480.db2.gz LKWVDWYEXGCPJZ-KGLIPLIRSA-N 2 0 340.468 -0.295 20 0 EBADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001353273530 832419285 /nfs/dbraw/zinc/41/92/85/832419285.db2.gz PQMLEAQCRISSQU-DLBZAZTESA-N 2 0 327.517 -0.790 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001168754792 832434135 /nfs/dbraw/zinc/43/41/35/832434135.db2.gz BTIPSTOBHCSVSU-UHFFFAOYSA-N 2 0 327.429 -0.588 20 0 EBADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC001353585231 832434820 /nfs/dbraw/zinc/43/48/20/832434820.db2.gz ZOLHNLVWBWBHMT-ROUUACIJSA-N 2 0 345.491 -0.005 20 0 EBADRP CN1CCC[C@H]([NH2+]CCCNC(=O)COC2CC[NH+](C)CC2)C1=O ZINC001169530963 832466902 /nfs/dbraw/zinc/46/69/02/832466902.db2.gz LAKCSOWXROWVRS-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CCCNS(=O)(=O)CC ZINC001170211509 832491918 /nfs/dbraw/zinc/49/19/18/832491918.db2.gz OIHSRIZCPXXKNN-UHFFFAOYSA-N 2 0 336.502 -0.247 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001170221977 832493247 /nfs/dbraw/zinc/49/32/47/832493247.db2.gz GSJIWQCWAUPAIF-CQSZACIVSA-N 2 0 328.457 -0.423 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001170222509 832493301 /nfs/dbraw/zinc/49/33/01/832493301.db2.gz LKEZYNAISMPUNK-JKSUJKDBSA-N 2 0 345.484 -0.019 20 0 EBADRP Cn1[nH]c(C[NH2+]CCCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)nc1=O ZINC001171162073 832549898 /nfs/dbraw/zinc/54/98/98/832549898.db2.gz UBCMZSIVAFFJPL-QWHCGFSZSA-N 2 0 338.456 -0.175 20 0 EBADRP COC[C@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171205621 832550481 /nfs/dbraw/zinc/55/04/81/832550481.db2.gz UZLLGKVPHMBBEX-LSDHHAIUSA-N 2 0 349.472 -0.927 20 0 EBADRP CC(C)N1CC[C@H]([NH2+]CCCNC(=O)COCC[NH+](C)C)C1=O ZINC001171215882 832551621 /nfs/dbraw/zinc/55/16/21/832551621.db2.gz FKMAVIDECFEOMA-AWEZNQCLSA-N 2 0 328.457 -0.330 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001171228064 832552162 /nfs/dbraw/zinc/55/21/62/832552162.db2.gz RKKYSHPTSXBPQA-CABCVRRESA-N 2 0 340.468 -0.423 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171217923 832552590 /nfs/dbraw/zinc/55/25/90/832552590.db2.gz PLURQFOEPAVJQW-QWHCGFSZSA-N 2 0 341.456 -0.342 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001171226503 832552638 /nfs/dbraw/zinc/55/26/38/832552638.db2.gz HEKKDYJZHRWPLN-UONOGXRCSA-N 2 0 331.482 -0.141 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001171217969 832552684 /nfs/dbraw/zinc/55/26/84/832552684.db2.gz PZFSHFNRQRBUBD-AWEZNQCLSA-N 2 0 326.441 -0.717 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001171363838 832558588 /nfs/dbraw/zinc/55/85/88/832558588.db2.gz WUMVMLVXYDYJML-UHFFFAOYSA-N 2 0 343.453 -0.594 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001171762785 832574738 /nfs/dbraw/zinc/57/47/38/832574738.db2.gz LBBOSWIMDBGSSV-AWEZNQCLSA-N 2 0 328.457 -0.281 20 0 EBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH3+])CCN1C(=O)c1ccccc1 ZINC001173490460 832585176 /nfs/dbraw/zinc/58/51/76/832585176.db2.gz LKHUPSVKDXDEPU-KKUMJFAQSA-N 2 0 335.404 -0.258 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NCCN(C)C(=O)COCC[NH+](C)C)CC[N@@H+]1C ZINC001355840681 832587539 /nfs/dbraw/zinc/58/75/39/832587539.db2.gz LCHSRTVPLFCWJM-GJZGRUSLSA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@H](CCCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CC[NH+](C)C ZINC001175047813 832613847 /nfs/dbraw/zinc/61/38/47/832613847.db2.gz CLMLJQLFNFMJPK-GFCCVEGCSA-N 2 0 326.445 -0.175 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC(CC[NH2+]C)CC1)C[NH+](C)C ZINC001356478283 832632189 /nfs/dbraw/zinc/63/21/89/832632189.db2.gz GODHQPPSRASRIH-OAHLLOKOSA-N 2 0 342.484 -0.083 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC2(CS(C)(=O)=O)CC2)C1 ZINC001176057244 832654302 /nfs/dbraw/zinc/65/43/02/832654302.db2.gz NYFZTDDKQXKQJQ-CYBMUJFWSA-N 2 0 331.482 -0.141 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176056320 832654425 /nfs/dbraw/zinc/65/44/25/832654425.db2.gz FZZDGEYHKPDDCS-ZDUSSCGKSA-N 2 0 341.456 -0.484 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001176057749 832654468 /nfs/dbraw/zinc/65/44/68/832654468.db2.gz SAQMDGVOCUNTJO-GJZGRUSLSA-N 2 0 343.468 -0.410 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001176072313 832655501 /nfs/dbraw/zinc/65/55/01/832655501.db2.gz PIJZMBQMSXMCMZ-LLVKDONJSA-N 2 0 325.413 -0.978 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NCc2cccnc2)C1 ZINC001176072162 832655879 /nfs/dbraw/zinc/65/58/79/832655879.db2.gz MEKYNYVZBRCQSE-OAHLLOKOSA-N 2 0 333.436 -0.255 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCCNC(=O)[C@H]2CC[N@H+](C)C2)n(C)n1 ZINC001176095681 832657554 /nfs/dbraw/zinc/65/75/54/832657554.db2.gz HDPJIJADXHYTSM-ZDUSSCGKSA-N 2 0 336.440 -0.285 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001176152753 832659442 /nfs/dbraw/zinc/65/94/42/832659442.db2.gz JBMCOBIJOGSHIQ-ZIAGYGMSSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@H](CCCC[NH2+]CCOCCO)NC(=O)COCC[NH+](C)C ZINC001176155268 832659752 /nfs/dbraw/zinc/65/97/52/832659752.db2.gz AGLKXVILYAVHAG-OAHLLOKOSA-N 2 0 333.473 -0.162 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@H]1CCN(C)C1=O ZINC001176162092 832660420 /nfs/dbraw/zinc/66/04/20/832660420.db2.gz TXFATAPZTUHGFI-KGLIPLIRSA-N 2 0 326.441 -0.719 20 0 EBADRP CC(C)[C@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)[NH+]1CCCC1 ZINC001176998918 832730804 /nfs/dbraw/zinc/73/08/04/832730804.db2.gz LVCFPDDDRITLNX-QWHCGFSZSA-N 2 0 341.456 -0.214 20 0 EBADRP CC(C)[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)[NH+]1CCCC1 ZINC001176998919 832730840 /nfs/dbraw/zinc/73/08/40/832730840.db2.gz LVCFPDDDRITLNX-STQMWFEESA-N 2 0 341.456 -0.214 20 0 EBADRP CC[C@H](C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)[NH+](C)C ZINC001178815594 832917132 /nfs/dbraw/zinc/91/71/32/832917132.db2.gz FUZZEQRERMQEHO-GFCCVEGCSA-N 2 0 329.445 -0.212 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C)C(=O)NC(N)=O ZINC001179337015 832970347 /nfs/dbraw/zinc/97/03/47/832970347.db2.gz GVKOGNIPGOYYIQ-VOAKCMCISA-N 2 0 339.440 -0.367 20 0 EBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C)C(=O)NC(N)=O ZINC001179434912 832978386 /nfs/dbraw/zinc/97/83/86/832978386.db2.gz DCAGYSQIAYXXKE-SRVKXCTJSA-N 2 0 339.440 -0.509 20 0 EBADRP C[NH+]1CCC(C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)CC1 ZINC001179461566 832981336 /nfs/dbraw/zinc/98/13/36/832981336.db2.gz QGHPZDIWEDLUTQ-UHFFFAOYSA-N 2 0 341.456 -0.211 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)CCN1C(=O)CC[NH+](C)C ZINC001179486697 832982335 /nfs/dbraw/zinc/98/23/35/832982335.db2.gz PQOACTJWZKOYBN-KBPBESRZSA-N 2 0 348.513 -0.201 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001187083703 833897809 /nfs/dbraw/zinc/89/78/09/833897809.db2.gz MSADOVQTVAAYEW-UONOGXRCSA-N 2 0 331.482 -0.047 20 0 EBADRP C[C@@H](NC(=O)C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)C1CC1 ZINC001187107072 833901260 /nfs/dbraw/zinc/90/12/60/833901260.db2.gz UHCFGWSRFWYHGM-UKRRQHHQSA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001187115777 833903257 /nfs/dbraw/zinc/90/32/57/833903257.db2.gz SKDFROUHSUDEID-CYBMUJFWSA-N 2 0 328.457 -0.330 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187121830 833903771 /nfs/dbraw/zinc/90/37/71/833903771.db2.gz NEHDTSGZOURVRH-GFCCVEGCSA-N 2 0 337.424 -0.882 20 0 EBADRP O=C(C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)NC(=O)NC1CC1 ZINC001187122236 833904349 /nfs/dbraw/zinc/90/43/49/833904349.db2.gz RFQIHGSNMFWTEK-CYBMUJFWSA-N 2 0 349.435 -0.739 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001187276636 833916152 /nfs/dbraw/zinc/91/61/52/833916152.db2.gz QFHDTHWSYCAWBH-VXGBXAGGSA-N 2 0 327.429 -0.508 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001187291407 833916379 /nfs/dbraw/zinc/91/63/79/833916379.db2.gz RCXBPEPEMYMUAI-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001187328145 833920480 /nfs/dbraw/zinc/92/04/80/833920480.db2.gz BRUAUECDMZCTGH-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187818088 833971352 /nfs/dbraw/zinc/97/13/52/833971352.db2.gz NFYNRALEEQJQIX-UONOGXRCSA-N 2 0 326.441 -0.719 20 0 EBADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n(C)n1 ZINC001187826121 833971505 /nfs/dbraw/zinc/97/15/05/833971505.db2.gz WKDKAUYKKIJWHT-ZIAGYGMSSA-N 2 0 348.451 -0.191 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CCCN3C(=O)CNC3=O)C2)C1 ZINC001187825530 833971695 /nfs/dbraw/zinc/97/16/95/833971695.db2.gz PEEKBANHFSNGRA-CHWSQXEVSA-N 2 0 337.424 -0.930 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187818090 833971799 /nfs/dbraw/zinc/97/17/99/833971799.db2.gz NFYNRALEEQJQIX-ZIAGYGMSSA-N 2 0 326.441 -0.719 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187825297 833971844 /nfs/dbraw/zinc/97/18/44/833971844.db2.gz JSNWRRCYKFNZJH-ZIAGYGMSSA-N 2 0 346.497 -0.542 20 0 EBADRP CCS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187826369 833972213 /nfs/dbraw/zinc/97/22/13/833972213.db2.gz YNVKAMHUIKJLON-ZIAGYGMSSA-N 2 0 331.482 -0.047 20 0 EBADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001187851822 833973002 /nfs/dbraw/zinc/97/30/02/833973002.db2.gz VXTALAUMRCFRFK-KFWWJZLASA-N 2 0 329.441 -0.848 20 0 EBADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001187851824 833974096 /nfs/dbraw/zinc/97/40/96/833974096.db2.gz VXTALAUMRCFRFK-RRFJBIMHSA-N 2 0 329.441 -0.848 20 0 EBADRP CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001188098785 834003477 /nfs/dbraw/zinc/00/34/77/834003477.db2.gz DWZMAEICJZPBTD-CQSZACIVSA-N 2 0 346.497 -0.398 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001188145054 834013517 /nfs/dbraw/zinc/01/35/17/834013517.db2.gz CMNFAQOGDJASAZ-CHWSQXEVSA-N 2 0 341.456 -0.249 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001188146162 834013804 /nfs/dbraw/zinc/01/38/04/834013804.db2.gz WOOVUNPMPVBHPA-HUUCEWRRSA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCOCCO)C[C@H]32)CC1 ZINC001189017988 834116635 /nfs/dbraw/zinc/11/66/35/834116635.db2.gz CTAWHRVCSAGJRX-JKSUJKDBSA-N 2 0 325.453 -0.130 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213526815 837792091 /nfs/dbraw/zinc/79/20/91/837792091.db2.gz WAANIWJBSCAGMB-BZUAXINKSA-N 2 0 343.468 -0.459 20 0 EBADRP CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)C1=O ZINC001193487512 834886713 /nfs/dbraw/zinc/88/67/13/834886713.db2.gz AIZGIIFGTRCPNE-HUUCEWRRSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@H]([N@H+](C)CCN2CCCC2=O)C1 ZINC001193489679 834889057 /nfs/dbraw/zinc/88/90/57/834889057.db2.gz ZNWFHNPRDXNTKT-HNNXBMFYSA-N 2 0 340.468 -0.280 20 0 EBADRP COCCOCC[N@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193489169 834890194 /nfs/dbraw/zinc/89/01/94/834890194.db2.gz UFWNYXUOSWWLKL-HNNXBMFYSA-N 2 0 331.457 -0.240 20 0 EBADRP C[NH+]1CCN(c2cncc(C(=O)n3cnc(C[NH3+])cc3=N)c2)CC1 ZINC001193948461 834984382 /nfs/dbraw/zinc/98/43/82/834984382.db2.gz XWBLUDVSEZBJME-UHFFFAOYSA-N 2 0 327.392 -0.343 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194295561 835075496 /nfs/dbraw/zinc/07/54/96/835075496.db2.gz RAKYXGUEVYXAAY-CHWSQXEVSA-N 2 0 341.456 -0.297 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@H]1O ZINC001195869896 835302960 /nfs/dbraw/zinc/30/29/60/835302960.db2.gz FPULIJSAYJVCRO-RBSFLKMASA-N 2 0 329.441 -0.705 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001195865951 835302998 /nfs/dbraw/zinc/30/29/98/835302998.db2.gz RJQBQXQIPOHLNA-HOTGVXAUSA-N 2 0 325.453 -0.130 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001195865944 835303066 /nfs/dbraw/zinc/30/30/66/835303066.db2.gz RJQBQXQIPOHLNA-CVEARBPZSA-N 2 0 325.453 -0.130 20 0 EBADRP CS(=O)(=O)Cc1ncccc1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001196059329 835339704 /nfs/dbraw/zinc/33/97/04/835339704.db2.gz VPKONWXNYUREIK-UHFFFAOYSA-N 2 0 327.410 -0.299 20 0 EBADRP C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001196222627 835372462 /nfs/dbraw/zinc/37/24/62/835372462.db2.gz VHZJQTFFSONBOS-USXIJHARSA-N 2 0 335.448 -0.297 20 0 EBADRP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196251621 835380681 /nfs/dbraw/zinc/38/06/81/835380681.db2.gz MTIXEZHZBHXOEK-ARFHVFGLSA-N 2 0 343.468 -0.315 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001197536651 835572520 /nfs/dbraw/zinc/57/25/20/835572520.db2.gz YNVXYRINXCKLKI-RBSFLKMASA-N 2 0 340.468 -0.594 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCO[C@H]2CCOC2)C[C@H]1O ZINC001199097113 835762394 /nfs/dbraw/zinc/76/23/94/835762394.db2.gz WDJNXVRXSPPLGF-ARFHVFGLSA-N 2 0 343.468 -0.317 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001199111845 835765025 /nfs/dbraw/zinc/76/50/25/835765025.db2.gz OTWSIBIFFWRWHA-RRFJBIMHSA-N 2 0 340.468 -0.596 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001199788434 835861374 /nfs/dbraw/zinc/86/13/74/835861374.db2.gz QAHXSKYFRWOEFH-LBPRGKRZSA-N 2 0 325.413 -0.883 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001199788240 835861399 /nfs/dbraw/zinc/86/13/99/835861399.db2.gz MUUGKLWQBSWKTN-AWEZNQCLSA-N 2 0 346.497 -0.400 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200115095 835910692 /nfs/dbraw/zinc/91/06/92/835910692.db2.gz IYTBTIGTAFLZAF-GJZGRUSLSA-N 2 0 340.468 -0.188 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200115097 835910912 /nfs/dbraw/zinc/91/09/12/835910912.db2.gz IYTBTIGTAFLZAF-LSDHHAIUSA-N 2 0 340.468 -0.188 20 0 EBADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200123290 835914002 /nfs/dbraw/zinc/91/40/02/835914002.db2.gz MHMAYCWEZCLBSY-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCOCCO)C2)CC[N@@H+]1C ZINC001200546565 835983562 /nfs/dbraw/zinc/98/35/62/835983562.db2.gz GLQUJHPRYRYQRI-BZUAXINKSA-N 2 0 343.468 -0.457 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC([NH2+]CCOCCO)CC1 ZINC001200606563 835996124 /nfs/dbraw/zinc/99/61/24/835996124.db2.gz QFJNCHRFXVFTGL-MRXNPFEDSA-N 2 0 325.453 -0.082 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001200628036 835997357 /nfs/dbraw/zinc/99/73/57/835997357.db2.gz QUNVNEAABXSONV-UONOGXRCSA-N 2 0 346.447 -0.381 20 0 EBADRP O=C([C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC([NH2+]CCOCCO)CC1 ZINC001200657773 836010233 /nfs/dbraw/zinc/01/02/33/836010233.db2.gz BCKZQBNMLFTATL-HOTGVXAUSA-N 2 0 341.452 -0.561 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CCCO1 ZINC001200688066 836014868 /nfs/dbraw/zinc/01/48/68/836014868.db2.gz KCTOECWZXRDLLV-HOCLYGCPSA-N 2 0 340.468 -0.330 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1 ZINC001200703279 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C[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CCS(C)(=O)=O)C2)CC1 ZINC001209408575 837164424 /nfs/dbraw/zinc/16/44/24/837164424.db2.gz RWRYWIYXRZJFQK-CQSZACIVSA-N 2 0 331.482 -0.047 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001209447369 837167592 /nfs/dbraw/zinc/16/75/92/837167592.db2.gz ZIQJURMYFQWSLQ-CYBMUJFWSA-N 2 0 339.440 -0.493 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001209446738 837168166 /nfs/dbraw/zinc/16/81/66/837168166.db2.gz UPTXUSVOXFXWBE-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001210339913 837272727 /nfs/dbraw/zinc/27/27/27/837272727.db2.gz RRTYLWFXRMEFMB-ZDUSSCGKSA-N 2 0 326.441 -0.576 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001210493171 837290583 /nfs/dbraw/zinc/29/05/83/837290583.db2.gz IBEQFIZHRLWUOV-ZDUSSCGKSA-N 2 0 341.456 -0.246 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210685424 837319740 /nfs/dbraw/zinc/31/97/40/837319740.db2.gz VTOASNYVFWNZFF-GFCCVEGCSA-N 2 0 337.424 -0.882 20 0 EBADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)COCC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001210685125 837320859 /nfs/dbraw/zinc/32/08/59/837320859.db2.gz NZZZCUSVZCTOEB-ZFWWWQNUSA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001210743781 837328075 /nfs/dbraw/zinc/32/80/75/837328075.db2.gz LCJRHETZJWECDB-LBPRGKRZSA-N 2 0 327.429 -0.506 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001210811316 837334052 /nfs/dbraw/zinc/33/40/52/837334052.db2.gz LMDGZQFGMIFKKZ-CYBMUJFWSA-N 2 0 334.486 -0.542 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211064063 837376121 /nfs/dbraw/zinc/37/61/21/837376121.db2.gz HRIKBNAYTCSUNE-HOTGVXAUSA-N 2 0 340.468 -0.329 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COC)C[C@H]1OC ZINC001213763233 837863633 /nfs/dbraw/zinc/86/36/33/837863633.db2.gz JLPWYBPBQYFJLN-RRFJBIMHSA-N 2 0 331.457 -0.459 20 0 EBADRP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCN1CCCS1(=O)=O)[NH+](C)C ZINC001319534805 838145021 /nfs/dbraw/zinc/14/50/21/838145021.db2.gz UAKIOKNYPJFUMN-KGLIPLIRSA-N 2 0 348.513 -0.201 20 0 EBADRP CCN(CC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)C12CCC[NH+]1CCC2 ZINC001320780923 838836460 /nfs/dbraw/zinc/83/64/60/838836460.db2.gz DIEJZVKZJUNOKO-CYBMUJFWSA-N 2 0 336.436 -0.142 20 0 EBADRP CCN(CC[NH2+]CCN1CCNC1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001320891387 838854990 /nfs/dbraw/zinc/85/49/90/838854990.db2.gz HSLAEPIADZSQLW-AWEZNQCLSA-N 2 0 325.457 -0.209 20 0 EBADRP C[C@@H](C[NH2+]CCN1CCNC1=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001321948033 839109789 /nfs/dbraw/zinc/10/97/89/839109789.db2.gz WOECIJVXFWDJSQ-ZDUSSCGKSA-N 2 0 325.457 -0.020 20 0 EBADRP C[C@H](C[N@H+](C)CCN1C(=O)CCC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001322280729 839166583 /nfs/dbraw/zinc/16/65/83/839166583.db2.gz JTWKEDIHPSEYQO-CYBMUJFWSA-N 2 0 336.436 -0.332 20 0 EBADRP CN(CCC[NH2+]C[C@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001322649328 839226401 /nfs/dbraw/zinc/22/64/01/839226401.db2.gz UXMWDOAILBIXKF-ZIAGYGMSSA-N 2 0 331.482 -0.047 20 0 EBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC001322696464 839237270 /nfs/dbraw/zinc/23/72/70/839237270.db2.gz XCZRNTIDOKBUKQ-GJZGRUSLSA-N 2 0 339.484 -0.851 20 0 EBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001325393021 839858572 /nfs/dbraw/zinc/85/85/72/839858572.db2.gz KKIPVCKNSWUZNF-HZSPNIEDSA-N 2 0 326.441 -0.448 20 0 EBADRP CCO[C@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001325689904 839912805 /nfs/dbraw/zinc/91/28/05/839912805.db2.gz ZRLRJSQBGOVKKN-OKILXGFUSA-N 2 0 328.457 -0.378 20 0 EBADRP CCNC(=O)C[NH2+]CCN(CCO)C(=O)C12CCC[NH+](CCC1)C2 ZINC001326044508 840014409 /nfs/dbraw/zinc/01/44/09/840014409.db2.gz DJMQHOAVJRHUMP-UHFFFAOYSA-N 2 0 340.468 -0.591 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N(CCO)CC[NH2+]CCN1CCCC1=O ZINC001326046171 840015683 /nfs/dbraw/zinc/01/56/83/840015683.db2.gz SXVNQOGWBMMRBA-OAHLLOKOSA-N 2 0 340.468 -0.496 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C[C@H]1C[NH3+] ZINC001326561081 840135376 /nfs/dbraw/zinc/13/53/76/840135376.db2.gz MRVBKLDOYKYUNJ-RBSFLKMASA-N 2 0 338.452 -0.495 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)cn1 ZINC001326591205 840143814 /nfs/dbraw/zinc/14/38/14/840143814.db2.gz QBIJGBAVUKKINA-INIZCTEOSA-N 2 0 336.440 -0.111 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC001326861409 840221442 /nfs/dbraw/zinc/22/14/42/840221442.db2.gz MBAPLPPENDAWTB-UHFFFAOYSA-N 2 0 340.468 -0.151 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC001326860216 840221958 /nfs/dbraw/zinc/22/19/58/840221958.db2.gz CGFMWGZZEYTNFP-UHFFFAOYSA-N 2 0 326.441 -0.541 20 0 EBADRP COCCOCC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001327047642 840284493 /nfs/dbraw/zinc/28/44/93/840284493.db2.gz FQTQJOZRWWUTBX-HNNXBMFYSA-N 2 0 341.452 -0.438 20 0 EBADRP O=C(N1CCO[C@H](C[NH2+]CCn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001327050900 840287677 /nfs/dbraw/zinc/28/76/77/840287677.db2.gz YMODNUAAQIEFJM-OAHLLOKOSA-N 2 0 333.436 -0.204 20 0 EBADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001327532287 840446525 /nfs/dbraw/zinc/44/65/25/840446525.db2.gz LIUPJOKOMNKTQO-VNHYZAJKSA-N 2 0 336.436 -0.966 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@](CO)([NH2+]CCOCCO)C2)C1 ZINC001327603022 840470576 /nfs/dbraw/zinc/47/05/76/840470576.db2.gz JZMGUXJPSVONFN-NVXWUHKLSA-N 2 0 343.468 -0.720 20 0 EBADRP CC[NH+](CC)C1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC001327856545 840535920 /nfs/dbraw/zinc/53/59/20/840535920.db2.gz UEHZDSFNMSMRHZ-OAHLLOKOSA-N 2 0 339.484 -0.580 20 0 EBADRP Cn1cc(CC[NH2+]CC2(O)CCN(C(=O)CC[NH+](C)C)CC2)cn1 ZINC001328197503 840617197 /nfs/dbraw/zinc/61/71/97/840617197.db2.gz DHJWADBYLABRIQ-UHFFFAOYSA-N 2 0 337.468 -0.143 20 0 EBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001328369536 840663845 /nfs/dbraw/zinc/66/38/45/840663845.db2.gz FJYCOTXNOCRUHA-LBPRGKRZSA-N 2 0 326.441 -0.543 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001328746277 840740135 /nfs/dbraw/zinc/74/01/35/840740135.db2.gz MAOLUQZBYMPBIK-UHFFFAOYSA-N 2 0 340.468 -0.327 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001328973238 840803815 /nfs/dbraw/zinc/80/38/15/840803815.db2.gz JNQWRPAUUVHCIJ-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001329170273 840863699 /nfs/dbraw/zinc/86/36/99/840863699.db2.gz IMTBAGHTNLPAFL-VXGBXAGGSA-N 2 0 332.470 -0.886 20 0 EBADRP CN(CC(C)(C)C[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)C[NH+]1CCCC1 ZINC001329358941 840901403 /nfs/dbraw/zinc/90/14/03/840901403.db2.gz VRTWZZUBOWIIFY-CYBMUJFWSA-N 2 0 338.452 -0.038 20 0 EBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001329841384 841037929 /nfs/dbraw/zinc/03/79/29/841037929.db2.gz DQXXUIPPGSBPTK-OCCSQVGLSA-N 2 0 326.441 -0.530 20 0 EBADRP CO[C@H](C)CN(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001329889213 841053100 /nfs/dbraw/zinc/05/31/00/841053100.db2.gz XMXMJIYAFMOSFL-RBSFLKMASA-N 2 0 342.484 -0.323 20 0 EBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001330568292 841237538 /nfs/dbraw/zinc/23/75/38/841237538.db2.gz SAIFIFHYKSQHGX-UONOGXRCSA-N 2 0 337.468 -0.827 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001330918868 841295778 /nfs/dbraw/zinc/29/57/78/841295778.db2.gz UAGJCPIEZYLPSB-STQMWFEESA-N 2 0 341.456 -0.342 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001331104149 841336226 /nfs/dbraw/zinc/33/62/26/841336226.db2.gz QBSAKQGWUFQEOV-TZMCWYRMSA-N 2 0 326.441 -0.401 20 0 EBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001331147363 841355792 /nfs/dbraw/zinc/35/57/92/841355792.db2.gz UOXJMXWBOXWATB-MCIONIFRSA-N 2 0 337.468 -0.781 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC001331150660 841356337 /nfs/dbraw/zinc/35/63/37/841356337.db2.gz UKFNAURLOJQQSM-UHFFFAOYSA-N 2 0 327.473 -0.626 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001331616907 841440744 /nfs/dbraw/zinc/44/07/44/841440744.db2.gz DYSRTYABLRQPNN-HUUCEWRRSA-N 2 0 339.484 -0.484 20 0 EBADRP CC(C)NC(=O)NCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001331710918 841465826 /nfs/dbraw/zinc/46/58/26/841465826.db2.gz DKNNYFFOEKCSMU-HZSPNIEDSA-N 2 0 343.472 -0.899 20 0 EBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2([NH3+])CCOCC2)[C@@H](C)C1 ZINC001331752679 841483196 /nfs/dbraw/zinc/48/31/96/841483196.db2.gz FOSPVTHLBZIWHM-UONOGXRCSA-N 2 0 340.468 -0.201 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001331850785 841519654 /nfs/dbraw/zinc/51/96/54/841519654.db2.gz AHDMXKYYHVUOPS-HNNXBMFYSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)CN1C(=O)CC[NH+](C)C ZINC001332028412 841553417 /nfs/dbraw/zinc/55/34/17/841553417.db2.gz NUPUZHBESBHVQV-VXGBXAGGSA-N 2 0 325.413 -0.931 20 0 EBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)C1 ZINC001332251290 841599734 /nfs/dbraw/zinc/59/97/34/841599734.db2.gz QYZZAHFVLWVKOL-XGUBFFRZSA-N 2 0 338.452 -0.401 20 0 EBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001332345854 841621002 /nfs/dbraw/zinc/62/10/02/841621002.db2.gz MBKLVKXEIRQHOK-KBPBESRZSA-N 2 0 340.468 -0.058 20 0 EBADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC[N@@H+]1C ZINC001332434947 841641017 /nfs/dbraw/zinc/64/10/17/841641017.db2.gz YIRLEMMSDDSUOF-IOASZLSFSA-N 2 0 326.441 -0.760 20 0 EBADRP CN(C[C@H](O)C[NH2+]CCc1cnn(C)c1)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001332601474 841685807 /nfs/dbraw/zinc/68/58/07/841685807.db2.gz IHCCXQRIHRXYSW-AEFFLSMTSA-N 2 0 349.479 -0.143 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCn1cncn1 ZINC001332608947 841687389 /nfs/dbraw/zinc/68/73/89/841687389.db2.gz ZIKFBTUTHGXEFZ-HUUCEWRRSA-N 2 0 338.456 -0.439 20 0 EBADRP CCOCC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001333528971 841900854 /nfs/dbraw/zinc/90/08/54/841900854.db2.gz KCVSJSZUFRZROL-JYJNAYRXSA-N 2 0 340.468 -0.006 20 0 EBADRP C[NH2+]CCCN(C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001333566726 841906990 /nfs/dbraw/zinc/90/69/90/841906990.db2.gz NRFJDVFGJJCXRE-CQSZACIVSA-N 2 0 326.441 -0.576 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCC[C@H](C)[NH3+])CC1 ZINC001333626998 841919040 /nfs/dbraw/zinc/91/90/40/841919040.db2.gz UWFSGMZISKNECJ-KGLIPLIRSA-N 2 0 327.473 -0.770 20 0 EBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC001334387522 842046888 /nfs/dbraw/zinc/04/68/88/842046888.db2.gz RSFPTAHDKLPNBV-HNNXBMFYSA-N 2 0 339.484 -0.720 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@@H]2CCN2C)CCCO1 ZINC001334889382 842144722 /nfs/dbraw/zinc/14/47/22/842144722.db2.gz YPHMRBOISZZBFM-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001334953995 842154627 /nfs/dbraw/zinc/15/46/27/842154627.db2.gz WAMJUPARNZUODS-BFHYXJOUSA-N 2 0 331.482 -0.013 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)NCc1ccccc1C[NH3+])C[NH+](C)C ZINC001335205731 842224436 /nfs/dbraw/zinc/22/44/36/842224436.db2.gz WSXMTBFBVHVOME-HNNXBMFYSA-N 2 0 336.436 -0.156 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCC(=O)NCc2ccccc2)CC1 ZINC001335399802 842273558 /nfs/dbraw/zinc/27/35/58/842273558.db2.gz IPGNWHAQNJNQCA-KRWDZBQOSA-N 2 0 334.464 -0.109 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC001335623941 842319332 /nfs/dbraw/zinc/31/93/32/842319332.db2.gz YYCHBZPKNXEDHS-UHFFFAOYSA-N 2 0 327.473 -0.181 20 0 EBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC001335843988 842363927 /nfs/dbraw/zinc/36/39/27/842363927.db2.gz IFSUWRYVKRLMRS-HDJSIYSDSA-N 2 0 338.452 -0.447 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)C[NH+](C)C ZINC001336227820 842419966 /nfs/dbraw/zinc/41/99/66/842419966.db2.gz FYAPLILCJTVDOA-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CO[C@H]1CC[C@@H]1N(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001336318181 842437308 /nfs/dbraw/zinc/43/73/08/842437308.db2.gz DKWPKAIOTGGLSR-KBPBESRZSA-N 2 0 328.457 -0.426 20 0 EBADRP C[C@@H](NC(=O)C(=O)NCCN1CCC([NH3+])CC1)C1=CC[N@H+](C)CC1 ZINC001336573742 842496815 /nfs/dbraw/zinc/49/68/15/842496815.db2.gz RNFVTNAUFBDOJO-CYBMUJFWSA-N 2 0 337.468 -0.708 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001336587577 842502690 /nfs/dbraw/zinc/50/26/90/842502690.db2.gz KHLLHAJSNXPNEX-ZNMIVQPWSA-N 2 0 340.468 -0.473 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001336587574 842503356 /nfs/dbraw/zinc/50/33/56/842503356.db2.gz KHLLHAJSNXPNEX-KKUMJFAQSA-N 2 0 340.468 -0.473 20 0 EBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)N[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)CC2)CC1 ZINC001336682667 842535332 /nfs/dbraw/zinc/53/53/32/842535332.db2.gz DGXLSZIKBJGUIP-NUEKZKHPSA-N 2 0 349.479 -0.766 20 0 EBADRP O=C(NCCCN1CC[NH2+]CC1)N1CC[NH2+]CCC12CCOCC2 ZINC001336698017 842536877 /nfs/dbraw/zinc/53/68/77/842536877.db2.gz DBFWEBMVHJUTRW-UHFFFAOYSA-N 2 0 339.484 -0.164 20 0 EBADRP OC[C@@H]1CCC[NH+](C/C=C/C[N@H+]2CCC[C@@H](CO)[C@H]2CO)[C@@H]1CO ZINC001336796407 842543349 /nfs/dbraw/zinc/54/33/49/842543349.db2.gz FECVAXULBFAQMA-FARXYOCPSA-N 2 0 342.480 -0.327 20 0 EBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001340075171 842968737 /nfs/dbraw/zinc/96/87/37/842968737.db2.gz MZGXVQHPZNAIAV-RDBSUJKOSA-N 2 0 328.457 -0.738 20 0 EBADRP CN1CC[NH2+]C[C@H]1C(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001340118199 842972544 /nfs/dbraw/zinc/97/25/44/842972544.db2.gz GNLXOQMKDNCDCV-SFHVURJKSA-N 2 0 345.491 -0.046 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001342572668 843169762 /nfs/dbraw/zinc/16/97/62/843169762.db2.gz FHRMKLPLPLLOSX-MRXNPFEDSA-N 2 0 327.473 -0.620 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC001344772452 843332793 /nfs/dbraw/zinc/33/27/93/843332793.db2.gz FVXLUPYRTPHNPY-AWEZNQCLSA-N 2 0 340.468 -0.377 20 0 EBADRP Cc1noc([C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC001345570821 843408174 /nfs/dbraw/zinc/40/81/74/843408174.db2.gz JTUMOJSDDFPFKD-LLVKDONJSA-N 2 0 340.428 -0.493 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001347062900 843585459 /nfs/dbraw/zinc/58/54/59/843585459.db2.gz LGXUXLNTMRWVCL-IACUBPJLSA-N 2 0 326.441 -0.796 20 0 EBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC001347075547 843588649 /nfs/dbraw/zinc/58/86/49/843588649.db2.gz SRNBOUZUSBKCLF-NWDGAFQWSA-N 2 0 348.407 -1.000 20 0 EBADRP C[C@@H]1C[NH+](CCO)CCN1C/C=C/CN1CC[N@@H+](CCO)C[C@H]1C ZINC001347194023 843600129 /nfs/dbraw/zinc/60/01/29/843600129.db2.gz NWSJSXSFBNDJJQ-GVKUHWBJSA-N 2 0 340.512 -0.461 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(C)CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576198918 950418852 /nfs/dbraw/zinc/41/88/52/950418852.db2.gz WQDVSDMFKBGLPK-LBPRGKRZSA-N 2 0 344.423 -0.104 20 0 EBADRP CN(CCNC(=O)C[NH+]1CCCC1)C(=O)COC1CC[NH+](C)CC1 ZINC001408575174 1125869454 /nfs/dbraw/zinc/86/94/54/1125869454.db2.gz OFOQJSMWWWEZAT-UHFFFAOYSA-N 2 0 340.468 -0.232 20 0 EBADRP CN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)CC(=O)NC[C@H]1CCOC1 ZINC001480935778 1125882658 /nfs/dbraw/zinc/88/26/58/1125882658.db2.gz RUNDXLVNCHIJSH-HUUCEWRRSA-N 2 0 340.468 -0.471 20 0 EBADRP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCN1C(=O)CNC1=O)[NH+](C)C ZINC001496207782 1125890334 /nfs/dbraw/zinc/89/03/34/1125890334.db2.gz RGYBWEPGDXBISC-VXGBXAGGSA-N 2 0 327.429 -0.685 20 0 EBADRP CN(CCNC(=O)CCN1CCOCC1)C(=O)CCn1ccnc1 ZINC001408627466 1125895013 /nfs/dbraw/zinc/89/50/13/1125895013.db2.gz GCROBHVOXRHGAZ-UHFFFAOYSA-N 2 0 337.424 -0.430 20 0 EBADRP C[C@H](C(=O)NC(N)=O)N1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001481066434 1125916310 /nfs/dbraw/zinc/91/63/10/1125916310.db2.gz USFSRPXGIIMJOG-NEPJUHHUSA-N 2 0 337.424 -0.754 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)Cn2ccnc2)C1 ZINC001481125491 1125928116 /nfs/dbraw/zinc/92/81/16/1125928116.db2.gz FSEDPAQOBPJYSE-RYUDHWBXSA-N 2 0 336.396 -0.835 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001481238303 1125949898 /nfs/dbraw/zinc/94/98/98/1125949898.db2.gz PIXPJOYDGMYRRP-STQMWFEESA-N 2 0 341.456 -0.247 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001481252176 1125954176 /nfs/dbraw/zinc/95/41/76/1125954176.db2.gz LOUHAOQPNBIHKY-CYBMUJFWSA-N 2 0 341.456 -0.390 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)Cn1ccnc1C ZINC001481314865 1125971237 /nfs/dbraw/zinc/97/12/37/1125971237.db2.gz NLJVETMKINMMMF-LLVKDONJSA-N 2 0 338.412 -0.526 20 0 EBADRP C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001481490836 1126002672 /nfs/dbraw/zinc/00/26/72/1126002672.db2.gz KARBDEDTNCROFE-CHWSQXEVSA-N 2 0 339.440 -0.554 20 0 EBADRP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001481741044 1126049227 /nfs/dbraw/zinc/04/92/27/1126049227.db2.gz VOKCGHKCIUFCSZ-GFCCVEGCSA-N 2 0 325.413 -0.977 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1([NH2+][C@H](C)C(N)=O)CCCC1 ZINC001482237046 1126109875 /nfs/dbraw/zinc/10/98/75/1126109875.db2.gz RSBINSVGTWWKTC-ZIAGYGMSSA-N 2 0 340.468 -0.153 20 0 EBADRP C[C@@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001482297516 1126122258 /nfs/dbraw/zinc/12/22/58/1126122258.db2.gz CRHWBSXEUTXTKS-KBPBESRZSA-N 2 0 340.468 -0.330 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482296855 1126122275 /nfs/dbraw/zinc/12/22/75/1126122275.db2.gz AGYUOISEBXUSKX-RYUDHWBXSA-N 2 0 327.429 -0.637 20 0 EBADRP C[C@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001482297526 1126122411 /nfs/dbraw/zinc/12/24/11/1126122411.db2.gz CRHWBSXEUTXTKS-ZIAGYGMSSA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)CCN1CCOC1=O ZINC001363931241 1126131051 /nfs/dbraw/zinc/13/10/51/1126131051.db2.gz IHTNOEMQVHRAMY-UHFFFAOYSA-N 2 0 336.458 -0.806 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001670807259 1126136767 /nfs/dbraw/zinc/13/67/67/1126136767.db2.gz GTNPWDFSKHIMGF-GFCCVEGCSA-N 2 0 337.424 -0.739 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001482355350 1126137261 /nfs/dbraw/zinc/13/72/61/1126137261.db2.gz FJCXFYBJXQRFMV-VXGBXAGGSA-N 2 0 329.445 -0.391 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482365581 1126139352 /nfs/dbraw/zinc/13/93/52/1126139352.db2.gz WSYPMJAVAYIKBK-STQMWFEESA-N 2 0 334.486 -0.686 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CC[NH+](CCOCCO)CC3)C1 ZINC001280394736 1126178372 /nfs/dbraw/zinc/17/83/72/1126178372.db2.gz WVURFRRPNBMRJQ-HNNXBMFYSA-N 2 0 325.453 -0.129 20 0 EBADRP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001482495772 1126185137 /nfs/dbraw/zinc/18/51/37/1126185137.db2.gz RJLXMSRFGSIWGL-NWDGAFQWSA-N 2 0 327.429 -0.650 20 0 EBADRP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1nnc2n1CCOC2 ZINC001482552862 1126196061 /nfs/dbraw/zinc/19/60/61/1126196061.db2.gz AXKJKNVJPHUDAE-CYBMUJFWSA-N 2 0 338.456 -0.010 20 0 EBADRP Cc1nc(CNC[C@@H](O)CNC(=O)[C@H]2CN(C)CCO2)cs1 ZINC001482719175 1126257573 /nfs/dbraw/zinc/25/75/73/1126257573.db2.gz UWBMDPLYPFBIBF-CHWSQXEVSA-N 2 0 328.438 -0.651 20 0 EBADRP Cc1nc(CNC[C@H](O)CNC(=O)[C@@H]2CN(C)CCO2)c(C)o1 ZINC001482719660 1126257609 /nfs/dbraw/zinc/25/76/09/1126257609.db2.gz YGMQCMDKNDIJMX-JSGCOSHPSA-N 2 0 326.397 -0.811 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001482730820 1126261677 /nfs/dbraw/zinc/26/16/77/1126261677.db2.gz HJUITHPKASQECS-HZSPNIEDSA-N 2 0 342.484 -0.302 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001482730821 1126261944 /nfs/dbraw/zinc/26/19/44/1126261944.db2.gz HJUITHPKASQECS-MELADBBJSA-N 2 0 342.484 -0.302 20 0 EBADRP O=C(NC[C@@H](O)C[NH2+]CCN1CCCC1=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482727834 1126268206 /nfs/dbraw/zinc/26/82/06/1126268206.db2.gz CRMYWAWDEADPTP-GJZGRUSLSA-N 2 0 338.452 -0.983 20 0 EBADRP CCn1nncc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482729789 1126268926 /nfs/dbraw/zinc/26/89/26/1126268926.db2.gz QMIGDUFINAUBQL-LSDHHAIUSA-N 2 0 336.440 -0.794 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001482840095 1126297375 /nfs/dbraw/zinc/29/73/75/1126297375.db2.gz QQKWHAZSTVNWOJ-NSHDSACASA-N 2 0 327.429 -0.589 20 0 EBADRP CCN(CC[NH2+]CC(=O)N1CCO[C@@H](C)C1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482913781 1126302449 /nfs/dbraw/zinc/30/24/49/1126302449.db2.gz CAYATPGAOIHUOB-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CCN(CC[NH2+][C@@H](C)C(=O)N(C)C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001482968763 1126307594 /nfs/dbraw/zinc/30/75/94/1126307594.db2.gz WXJCLNHOLYJTSN-CABCVRRESA-N 2 0 342.484 -0.131 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NC1CCOCC1 ZINC001483042873 1126317858 /nfs/dbraw/zinc/31/78/58/1126317858.db2.gz CAWLAMSZYACXDW-MPNWYJEXSA-N 2 0 338.452 -0.362 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001691555821 1126321243 /nfs/dbraw/zinc/32/12/43/1126321243.db2.gz KUSIRZNBCGRSQG-OLZOCXBDSA-N 2 0 341.456 -0.390 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NC/C=C\C[NH2+][C@@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001483049937 1126323000 /nfs/dbraw/zinc/32/30/00/1126323000.db2.gz CHYMYSYAVPFKMW-MOPGSBIESA-N 2 0 336.436 -0.216 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]CCN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001691605597 1126325324 /nfs/dbraw/zinc/32/53/24/1126325324.db2.gz AQDGMFNFEGNDTG-OAHLLOKOSA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@H](C[NH2+]CC(=O)Nc1nncs1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001483166811 1126349409 /nfs/dbraw/zinc/34/94/09/1126349409.db2.gz PJYDYYUETNLKBN-GHMZBOCLSA-N 2 0 340.453 -0.087 20 0 EBADRP C[C@H](C[NH2+]CC(=O)N1CCCC1)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001483194700 1126352622 /nfs/dbraw/zinc/35/26/22/1126352622.db2.gz JGLTYSJUTGEYSZ-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]C2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)CCO1 ZINC001483721971 1126463740 /nfs/dbraw/zinc/46/37/40/1126463740.db2.gz ODSMOLOLZSALKL-KBPBESRZSA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]C2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)CCO1 ZINC001483721972 1126463812 /nfs/dbraw/zinc/46/38/12/1126463812.db2.gz ODSMOLOLZSALKL-KGLIPLIRSA-N 2 0 338.452 -0.434 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001483789986 1126477351 /nfs/dbraw/zinc/47/73/51/1126477351.db2.gz AGZFNBFTKPYBQD-NEPJUHHUSA-N 2 0 339.440 -0.589 20 0 EBADRP CN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001493548928 1126478523 /nfs/dbraw/zinc/47/85/23/1126478523.db2.gz BBOJYNMMAKGYIJ-HNNXBMFYSA-N 2 0 338.452 -0.765 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1([NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001483790804 1126477634 /nfs/dbraw/zinc/47/76/34/1126477634.db2.gz MNAJIMPMLBNMKM-ZIAGYGMSSA-N 2 0 338.452 -0.576 20 0 EBADRP O=C(CCC[NH+]1CCCC1)NCC1([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001483793688 1126478059 /nfs/dbraw/zinc/47/80/59/1126478059.db2.gz LBXPETMWXXVVTG-CYBMUJFWSA-N 2 0 336.436 -0.094 20 0 EBADRP COCC[N@H+](CC(N)=O)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001483820102 1126479225 /nfs/dbraw/zinc/47/92/25/1126479225.db2.gz QHHLAOJJZJPXIH-CQSZACIVSA-N 2 0 340.468 -0.247 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001483944597 1126491847 /nfs/dbraw/zinc/49/18/47/1126491847.db2.gz BZOAVPBKPRHDMJ-STQMWFEESA-N 2 0 339.440 -0.636 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001483955446 1126493230 /nfs/dbraw/zinc/49/32/30/1126493230.db2.gz IJDJXIVVABWSRZ-ZDUSSCGKSA-N 2 0 339.440 -0.492 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001483955871 1126493310 /nfs/dbraw/zinc/49/33/10/1126493310.db2.gz UQMXUUXTYKVKFH-OLZOCXBDSA-N 2 0 339.440 -0.493 20 0 EBADRP C[C@@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001483910477 1126490277 /nfs/dbraw/zinc/49/02/77/1126490277.db2.gz ZQKZDGQJQDKZBP-NEPJUHHUSA-N 2 0 339.440 -0.508 20 0 EBADRP CCN(C)C(=O)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCOCC1 ZINC001484190955 1126513107 /nfs/dbraw/zinc/51/31/07/1126513107.db2.gz FMIBHSPZVDRQHM-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP C[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001484223590 1126525982 /nfs/dbraw/zinc/52/59/82/1126525982.db2.gz HVJKZZYYJRXVSN-RHSMWYFYSA-N 2 0 343.468 -0.721 20 0 EBADRP CO[C@H](C)C[N@@H+]1CC[C@](O)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001484242987 1126538492 /nfs/dbraw/zinc/53/84/92/1126538492.db2.gz OPPSIQRTFOZKLU-PBHICJAKSA-N 2 0 343.468 -0.315 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@]1(O)CC[NH+]([C@@H]2CCCN(C)C2=O)C1 ZINC001484249510 1126543504 /nfs/dbraw/zinc/54/35/04/1126543504.db2.gz XEPZVHHAZRVELM-RHSMWYFYSA-N 2 0 340.468 -0.498 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001484514483 1126600765 /nfs/dbraw/zinc/60/07/65/1126600765.db2.gz ZVBJBGUSNRVUNB-QWHCGFSZSA-N 2 0 339.440 -0.636 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@](CO)([NH2+]CCCS(C)(=O)=O)C1 ZINC001484848528 1126641832 /nfs/dbraw/zinc/64/18/32/1126641832.db2.gz XODDBLQWUKVDCP-HNNXBMFYSA-N 2 0 349.497 -0.684 20 0 EBADRP CCN(C)C(=O)C[NH2+][C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001484847550 1126641441 /nfs/dbraw/zinc/64/14/41/1126641441.db2.gz QGTPUEBSDWSBRW-MRXNPFEDSA-N 2 0 328.457 -0.641 20 0 EBADRP COCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001484854279 1126644983 /nfs/dbraw/zinc/64/49/83/1126644983.db2.gz UFMVJVMMUSZGDN-NVXWUHKLSA-N 2 0 343.468 -0.456 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCOCC1 ZINC001484868726 1126647167 /nfs/dbraw/zinc/64/71/67/1126647167.db2.gz WZSVSEREDQXOBC-CYBMUJFWSA-N 2 0 340.468 -0.282 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC(=O)N2CCOCC2)[C@@H](C)C1 ZINC001484908837 1126652701 /nfs/dbraw/zinc/65/27/01/1126652701.db2.gz BLNYRHNDOAYOHT-GJZGRUSLSA-N 2 0 340.468 -0.378 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]CCN3CCNC3=O)CC2)C1 ZINC001484927825 1126653069 /nfs/dbraw/zinc/65/30/69/1126653069.db2.gz WEDWDYKAEGOFMK-CQSZACIVSA-N 2 0 337.468 -0.066 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCC(C)([NH2+]CC(=O)NC(N)=O)CC1)[NH+](C)C ZINC001484917837 1126653210 /nfs/dbraw/zinc/65/32/10/1126653210.db2.gz BAAJVINIUYZIFG-ZDUSSCGKSA-N 2 0 341.456 -0.262 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CCn2cccn2)CC1 ZINC001484950365 1126654814 /nfs/dbraw/zinc/65/48/14/1126654814.db2.gz YRKRKEPDPAPCPU-HNNXBMFYSA-N 2 0 335.452 -0.080 20 0 EBADRP CC[C@H](C(=O)N1CCC(O)(C[NH2+][C@@H](C)C(N)=O)CC1)[NH+](CC)CC ZINC001484960901 1126659540 /nfs/dbraw/zinc/65/95/40/1126659540.db2.gz NXYZQTHKTNFPOL-UONOGXRCSA-N 2 0 342.484 -0.076 20 0 EBADRP C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCNS(C)(=O)=O ZINC001484982804 1126660739 /nfs/dbraw/zinc/66/07/39/1126660739.db2.gz NKTPUJKDMOIEHS-QWHCGFSZSA-N 2 0 334.486 -0.544 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NC1(CO)CC[NH+](C[C@H](C)O)CC1 ZINC001485021164 1126663930 /nfs/dbraw/zinc/66/39/30/1126663930.db2.gz JZQOTFXXTJFNRU-KBPBESRZSA-N 2 0 333.448 -0.010 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CCN1CCNC1=O ZINC001493570081 1126677353 /nfs/dbraw/zinc/67/73/53/1126677353.db2.gz MHXOVPZFMQUPJG-CQSZACIVSA-N 2 0 325.457 -0.066 20 0 EBADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001485242966 1126683978 /nfs/dbraw/zinc/68/39/78/1126683978.db2.gz ZVHPJULHZNMRGM-PNESKVBLSA-N 2 0 339.440 -0.508 20 0 EBADRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001485337061 1126689802 /nfs/dbraw/zinc/68/98/02/1126689802.db2.gz RKKVPJNHBQPGPQ-NEPJUHHUSA-N 2 0 341.456 -0.119 20 0 EBADRP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001485628863 1126774592 /nfs/dbraw/zinc/77/45/92/1126774592.db2.gz NENIVVLNGDAOPF-XYYAHUGASA-N 2 0 339.440 -0.924 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CCn2cncn2)C1 ZINC001485648470 1126776721 /nfs/dbraw/zinc/77/67/21/1126776721.db2.gz AJDVNBBEIGRRPS-HUUCEWRRSA-N 2 0 338.456 -0.176 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]Cc2cnnn2C)C1 ZINC001485650604 1126777995 /nfs/dbraw/zinc/77/79/95/1126777995.db2.gz XRVSPWMYYHBIQB-DZGCQCFKSA-N 2 0 338.456 -0.138 20 0 EBADRP CN(CC[NH2+]CC(=O)NC1CCOCC1)C(=O)C[N@H+](C)C1CCC1 ZINC001493581462 1126816727 /nfs/dbraw/zinc/81/67/27/1126816727.db2.gz WXYCGDDFXQGHEK-UHFFFAOYSA-N 2 0 340.468 -0.186 20 0 EBADRP CN1CC[C@H]([N@H+](C)CCOCCNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001485776954 1126824344 /nfs/dbraw/zinc/82/43/44/1126824344.db2.gz LDIWSHKHCJGCEU-AWEZNQCLSA-N 2 0 338.452 -0.623 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCCOCC[NH+](C)[C@@H]2CCCNC2=O)C1 ZINC001485775634 1126835624 /nfs/dbraw/zinc/83/56/24/1126835624.db2.gz BUXUEECNHPSIQT-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCCOCC[NH+](C)[C@H]2CCCNC2=O)C1 ZINC001485775631 1126836026 /nfs/dbraw/zinc/83/60/26/1126836026.db2.gz BUXUEECNHPSIQT-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CC[NH2+]C[C@@H]1CO ZINC001649052791 1126865888 /nfs/dbraw/zinc/86/58/88/1126865888.db2.gz GUJHHFNBUGTBAA-OAHLLOKOSA-N 2 0 333.436 -0.614 20 0 EBADRP O=C(NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001649085543 1126869739 /nfs/dbraw/zinc/86/97/39/1126869739.db2.gz RTJRJGIYQRFYCL-IGCXYCKISA-N 2 0 337.420 -0.586 20 0 EBADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H](C[NH2+]CCN1CCNC1=O)C1CC1 ZINC001485835504 1126890458 /nfs/dbraw/zinc/89/04/58/1126890458.db2.gz YZXCRUFETIRTBW-GJZGRUSLSA-N 2 0 337.468 -0.210 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001485921956 1126916556 /nfs/dbraw/zinc/91/65/56/1126916556.db2.gz FPRPOVZFBMAPQL-VXGBXAGGSA-N 2 0 327.429 -0.780 20 0 EBADRP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCN1C(=O)CNC1=O ZINC001485956294 1126921978 /nfs/dbraw/zinc/92/19/78/1126921978.db2.gz VCFLHHUDXZWFOW-CHWSQXEVSA-N 2 0 339.440 -0.684 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCCC2)CCC1 ZINC001486000628 1126941665 /nfs/dbraw/zinc/94/16/65/1126941665.db2.gz BGPVBZZRXYEDRG-ZDUSSCGKSA-N 2 0 326.441 -0.840 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCCC1 ZINC001486005876 1126980267 /nfs/dbraw/zinc/98/02/67/1126980267.db2.gz ZTYUQPRBHXBMOM-GJZGRUSLSA-N 2 0 340.468 -0.450 20 0 EBADRP CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001486047901 1126995641 /nfs/dbraw/zinc/99/56/41/1126995641.db2.gz FGMBYCLRPHZSHJ-AWEZNQCLSA-N 2 0 328.457 -0.690 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CCNC(=O)NC(C)(C)C)C1 ZINC001486062617 1127012827 /nfs/dbraw/zinc/01/28/27/1127012827.db2.gz XMUFIXOSKNEENK-STQMWFEESA-N 2 0 343.472 -0.898 20 0 EBADRP CNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001486131093 1127043123 /nfs/dbraw/zinc/04/31/23/1127043123.db2.gz POXNNUJEYNXQKC-STQMWFEESA-N 2 0 326.441 -0.578 20 0 EBADRP CN(C[C@H](O)C[NH2+]C[C@@H]1CCCS(=O)(=O)C1)C(=O)CC[NH+](C)C ZINC001486296644 1127104137 /nfs/dbraw/zinc/10/41/37/1127104137.db2.gz AABPLIHAXDIZGZ-UONOGXRCSA-N 2 0 349.497 -0.828 20 0 EBADRP CN(C[C@@H](O)C[NH2+]C[C@@H]1CCc2ncnn21)C(=O)C[NH+]1CCCC1 ZINC001486317758 1127119805 /nfs/dbraw/zinc/11/98/05/1127119805.db2.gz QLTVEOSZWHJIKX-KBPBESRZSA-N 2 0 336.440 -0.730 20 0 EBADRP CN(C[C@@H](O)C[N@H+](C)C[C@@H]1CCOC1)C(=O)C12CC[NH+](CC1)C2 ZINC001486356505 1127150528 /nfs/dbraw/zinc/15/05/28/1127150528.db2.gz QMFDABOSDAWNBS-GJZGRUSLSA-N 2 0 325.453 -0.130 20 0 EBADRP COC[C@@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001410094360 1127556378 /nfs/dbraw/zinc/55/63/78/1127556378.db2.gz YXXIUOUCRSJXGS-YHUYYLMFSA-N 2 0 325.453 -0.228 20 0 EBADRP C[C@H]([NH2+]CC(N)=O)[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC001410144200 1127607323 /nfs/dbraw/zinc/60/73/23/1127607323.db2.gz KBXZIDGYIUGLSK-UONOGXRCSA-N 2 0 326.441 -0.591 20 0 EBADRP CCNC(=O)C[NH2+][C@H](C)[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001410144255 1127607366 /nfs/dbraw/zinc/60/73/66/1127607366.db2.gz BYHQQWBHWWYSOZ-KGLIPLIRSA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001410149486 1127627945 /nfs/dbraw/zinc/62/79/45/1127627945.db2.gz ZJDNELMPTKGADU-FPCVCCKLSA-N 2 0 335.452 -0.510 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H](O)Cn3cccn3)C2)C1 ZINC001410225970 1127648926 /nfs/dbraw/zinc/64/89/26/1127648926.db2.gz VKTDVVDKIKGMIY-YHUYYLMFSA-N 2 0 335.452 -0.320 20 0 EBADRP CNC(=O)c1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001410586099 1127760046 /nfs/dbraw/zinc/76/00/46/1127760046.db2.gz LOZQMTYRSNUMRA-CVEARBPZSA-N 2 0 348.447 -0.293 20 0 EBADRP C[C@H]([NH2+][C@@H](CO)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(N)=O ZINC001410659768 1127795348 /nfs/dbraw/zinc/79/53/48/1127795348.db2.gz AYXSRZXIORNWCB-NWDGAFQWSA-N 2 0 328.457 -0.420 20 0 EBADRP CC(C)CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001410665774 1127801112 /nfs/dbraw/zinc/80/11/12/1127801112.db2.gz ZERVUKDTJFUAAN-GJZGRUSLSA-N 2 0 340.468 -0.833 20 0 EBADRP Cc1cn(C(C)(C)C(=O)NC[C@H](CO)[NH2+][C@@H]2CCN(C)C2=O)cn1 ZINC001410678789 1127809364 /nfs/dbraw/zinc/80/93/64/1127809364.db2.gz WXEAZWPSPTXLCO-CHWSQXEVSA-N 2 0 337.424 -0.776 20 0 EBADRP Cc1nnc([C@H](C)N[C@@H](CO)CNC(=O)C23CCC[NH+]2CCC3)[nH]1 ZINC001410681918 1127810621 /nfs/dbraw/zinc/81/06/21/1127810621.db2.gz CWDQRHPHFLSTFD-WCQYABFASA-N 2 0 336.440 -0.131 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CC(=O)NCC1CC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001411000353 1127969404 /nfs/dbraw/zinc/96/94/04/1127969404.db2.gz HUSIPUYBVDCGQI-KBPBESRZSA-N 2 0 326.441 -0.984 20 0 EBADRP CCN1CC[C@H]([NH2+]C[C@H](O)CN(C)C(=O)C2([NH+](C)C)CCC2)C1=O ZINC001411039179 1127983710 /nfs/dbraw/zinc/98/37/10/1127983710.db2.gz GCAVSIBXWQGHMO-KBPBESRZSA-N 2 0 340.468 -0.500 20 0 EBADRP CCN1CC[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)C2([NH+](C)C)CCC2)C1=O ZINC001411039186 1127984104 /nfs/dbraw/zinc/98/41/04/1127984104.db2.gz GCAVSIBXWQGHMO-UONOGXRCSA-N 2 0 340.468 -0.500 20 0 EBADRP CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C)[NH+](C)C ZINC001411093478 1128013390 /nfs/dbraw/zinc/01/33/90/1128013390.db2.gz ILNWMBXOURHFAK-STQMWFEESA-N 2 0 330.473 -0.350 20 0 EBADRP CCN1CCO[C@H](C(=O)N(C)C[C@H](O)CNCc2ccon2)C1 ZINC001411132184 1128027914 /nfs/dbraw/zinc/02/79/14/1128027914.db2.gz XPUUETXGLNVWFF-KGLIPLIRSA-N 2 0 326.397 -0.696 20 0 EBADRP CN(C[C@@H](O)C[NH2+]Cc1cnns1)C(=O)C12CC[NH+](CC1)C2 ZINC001411135995 1128030893 /nfs/dbraw/zinc/03/08/93/1128030893.db2.gz CCCMUANVEPAZEH-NSHDSACASA-N 2 0 325.438 -0.457 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001411147322 1128040687 /nfs/dbraw/zinc/04/06/87/1128040687.db2.gz PBNPXRYPUPHPRU-KGLIPLIRSA-N 2 0 328.457 -0.738 20 0 EBADRP C[C@H]([NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C)C(=O)NC(N)=O ZINC001411228259 1128098441 /nfs/dbraw/zinc/09/84/41/1128098441.db2.gz ZZFXNPIMWSEUQL-NWDGAFQWSA-N 2 0 341.456 -0.214 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC2(CCC([NH2+]CC(N)=O)CC2)C1 ZINC001093391311 1128334889 /nfs/dbraw/zinc/33/48/89/1128334889.db2.gz PUPURZCRTKNNPK-XOYHFGRZSA-N 2 0 338.452 -0.304 20 0 EBADRP COC[C@]1(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C[NH2+]CCO1 ZINC001649156710 1128339814 /nfs/dbraw/zinc/33/98/14/1128339814.db2.gz FKJZBTPUZUZVIU-DZKIICNBSA-N 2 0 327.425 -0.951 20 0 EBADRP O=C(C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)NC[C@H]1CCCO1 ZINC001187835003 1128355841 /nfs/dbraw/zinc/35/58/41/1128355841.db2.gz MSAKXNHMEFZXLC-HUUCEWRRSA-N 2 0 338.452 -0.432 20 0 EBADRP C[C@@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001487893680 1128444106 /nfs/dbraw/zinc/44/41/06/1128444106.db2.gz RUCFPHOXBHSWIT-GJZGRUSLSA-N 2 0 342.484 -0.131 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)C[NH+]1CCCC1 ZINC001488017761 1128514639 /nfs/dbraw/zinc/51/46/39/1128514639.db2.gz WCQPCOBEARRTCL-GJZGRUSLSA-N 2 0 340.468 -0.450 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)C[NH+]1CCCC1 ZINC001487994526 1128530806 /nfs/dbraw/zinc/53/08/06/1128530806.db2.gz FCCNUABWXYVBHQ-LSDHHAIUSA-N 2 0 340.468 -0.452 20 0 EBADRP C[NH+](C)CC1(C(=O)NC[C@H](CO)NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001488077293 1128611710 /nfs/dbraw/zinc/61/17/10/1128611710.db2.gz HQTYFQDXCOGVRV-UONOGXRCSA-N 2 0 340.468 -0.737 20 0 EBADRP CC[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC001488375450 1128713387 /nfs/dbraw/zinc/71/33/87/1128713387.db2.gz ZCFWNWJBULIMTL-BFHYXJOUSA-N 2 0 328.457 -0.644 20 0 EBADRP CN(C[C@@H](O)CNC(=O)CCC[NH+](C)C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001488376615 1128714626 /nfs/dbraw/zinc/71/46/26/1128714626.db2.gz MYYFTXYXIUVYEU-LSDHHAIUSA-N 2 0 342.484 -0.252 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001488794430 1128856018 /nfs/dbraw/zinc/85/60/18/1128856018.db2.gz QXBHLULHLMUUKE-TUVASFSCSA-N 2 0 340.468 -0.426 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1O ZINC001489395702 1128976390 /nfs/dbraw/zinc/97/63/90/1128976390.db2.gz FBTIPVCGNGBQBW-HUUCEWRRSA-N 2 0 345.403 -0.413 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@H]1O ZINC001489619385 1129030108 /nfs/dbraw/zinc/03/01/08/1129030108.db2.gz YWTFHPUDFKIADT-KFWWJZLASA-N 2 0 340.468 -0.500 20 0 EBADRP CC[C@H](C(N)=O)N1CCN(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001490495404 1129194273 /nfs/dbraw/zinc/19/42/73/1129194273.db2.gz ZYKAUVKVIHWXJM-HUUCEWRRSA-N 2 0 339.484 -0.532 20 0 EBADRP CC[C@@H](C(N)=O)N1CCN(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001490495405 1129194489 /nfs/dbraw/zinc/19/44/89/1129194489.db2.gz ZYKAUVKVIHWXJM-LSDHHAIUSA-N 2 0 339.484 -0.532 20 0 EBADRP C[C@@H](O)C[NH+]1CCN(CCNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001490515209 1129218302 /nfs/dbraw/zinc/21/83/02/1129218302.db2.gz NSVQAXUGWUBVQO-HZPDHXFCSA-N 2 0 342.484 -0.931 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]CCCS(C)(=O)=O)C2CC2)C1 ZINC001490739030 1129251310 /nfs/dbraw/zinc/25/13/10/1129251310.db2.gz CZWJDRUUIXZFCM-ZIAGYGMSSA-N 2 0 331.482 -0.143 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001414053803 1131362286 /nfs/dbraw/zinc/36/22/86/1131362286.db2.gz XRBLYPZRRYTMGF-RDBSUJKOSA-N 2 0 326.441 -0.890 20 0 EBADRP CC[N@H+](C)CCC(=O)NC1(CCO)CN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001411785237 1129384231 /nfs/dbraw/zinc/38/42/31/1129384231.db2.gz CWIUTNNQTRFJIO-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)NC(=O)CCN1CCOCC1 ZINC001412536314 1129553954 /nfs/dbraw/zinc/55/39/54/1129553954.db2.gz ICGLMHKLKBMMTN-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[C@@H](C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1)CS(C)(=O)=O ZINC001490876788 1129699169 /nfs/dbraw/zinc/69/91/69/1129699169.db2.gz JLONBXBTQNLQBN-XUXIUFHCSA-N 2 0 331.482 -0.002 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001691742666 1129715229 /nfs/dbraw/zinc/71/52/29/1129715229.db2.gz FXPMCZSPIIOWKE-MCIONIFRSA-N 2 0 346.497 -0.638 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001412851456 1129732444 /nfs/dbraw/zinc/73/24/44/1129732444.db2.gz MJJQFBSDZLPYLQ-HUUCEWRRSA-N 2 0 340.468 -0.737 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)CCn1ccnc1 ZINC001412965976 1129822197 /nfs/dbraw/zinc/82/21/97/1129822197.db2.gz XDTHGAKXMAVVLP-KBPBESRZSA-N 2 0 337.424 -0.649 20 0 EBADRP CN(C[C@H](O)CNC(=O)C1(C[NH+](C)C)CC1)C(=O)C[NH+]1CCCC1 ZINC001413260554 1129978584 /nfs/dbraw/zinc/97/85/84/1129978584.db2.gz DBLGRJIPBHDTIN-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001490928301 1130266535 /nfs/dbraw/zinc/26/65/35/1130266535.db2.gz LOXYVOIHNURYSL-RNJOBUHISA-N 2 0 339.440 -0.591 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)Nc3cnccn3)C2)C1 ZINC001490953989 1130272411 /nfs/dbraw/zinc/27/24/11/1130272411.db2.gz CJXJNUYQMKGHGW-JHJVBQTASA-N 2 0 332.408 -0.396 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001491061500 1130308426 /nfs/dbraw/zinc/30/84/26/1130308426.db2.gz LVTSEMGUYNMCPZ-XQQFMLRXSA-N 2 0 339.440 -0.319 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001491141876 1130341203 /nfs/dbraw/zinc/34/12/03/1130341203.db2.gz KXKUSFWWHDWKDG-HUUCEWRRSA-N 2 0 337.468 -0.066 20 0 EBADRP NC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001491180757 1130351175 /nfs/dbraw/zinc/35/11/75/1130351175.db2.gz VNOONPLVOIPTAM-LBPRGKRZSA-N 2 0 337.424 -0.895 20 0 EBADRP C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC001491296903 1130388413 /nfs/dbraw/zinc/38/84/13/1130388413.db2.gz GPMVEHZUCDDRDW-KBPBESRZSA-N 2 0 348.513 -0.296 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NCCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001491318421 1130397724 /nfs/dbraw/zinc/39/77/24/1130397724.db2.gz NCJVZCRCZAFJTF-ZDUSSCGKSA-N 2 0 336.440 -0.758 20 0 EBADRP CC[C@@H](C(=O)NC1CCC([NH2+]CCNS(C)(=O)=O)CC1)[NH+](C)C ZINC001491364006 1130410697 /nfs/dbraw/zinc/41/06/97/1130410697.db2.gz MGVIYXHLKBBHDO-RUXDESIVSA-N 2 0 348.513 -0.107 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001491420833 1130435460 /nfs/dbraw/zinc/43/54/60/1130435460.db2.gz GVUIXPCNSJXGMA-HNNXBMFYSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC(=O)NC(N)=O ZINC001491477833 1130462266 /nfs/dbraw/zinc/46/22/66/1130462266.db2.gz MORAGPRRUSCTNK-WCQYABFASA-N 2 0 339.440 -0.317 20 0 EBADRP CCOC(=O)c1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)nn1C ZINC001235874529 1130531470 /nfs/dbraw/zinc/53/14/70/1130531470.db2.gz KJFFCYUXVGQEBW-UHFFFAOYSA-N 2 0 338.456 -0.819 20 0 EBADRP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001491564086 1130534298 /nfs/dbraw/zinc/53/42/98/1130534298.db2.gz JGFJZERFVGBWPL-CHWSQXEVSA-N 2 0 331.482 -0.143 20 0 EBADRP C[NH+](C)CCOCC(=O)NC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001492074321 1130579606 /nfs/dbraw/zinc/57/96/06/1130579606.db2.gz BIEDXQYSQPUIKH-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001492112779 1130582848 /nfs/dbraw/zinc/58/28/48/1130582848.db2.gz JZZMWXPZGOTURV-GFCCVEGCSA-N 2 0 339.440 -0.588 20 0 EBADRP C[C@H](CCNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CCN1CCNC1=O ZINC001492119279 1130583390 /nfs/dbraw/zinc/58/33/90/1130583390.db2.gz MJJHLLAFHZOCBG-PBHICJAKSA-N 2 0 337.468 -0.018 20 0 EBADRP C[NH+](C)CCOCC(=O)NC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001492093189 1130585387 /nfs/dbraw/zinc/58/53/87/1130585387.db2.gz QXQIRIMSIYCJMP-AWEZNQCLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001480530597 1130826900 /nfs/dbraw/zinc/82/69/00/1130826900.db2.gz KMCLDBUUZMKEAS-STQMWFEESA-N 2 0 331.482 -0.143 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCN2CCC[N@H+](C)CC2)CC1 ZINC001356584917 1130881732 /nfs/dbraw/zinc/88/17/32/1130881732.db2.gz PRXANHGESYRXBD-QGZVFWFLSA-N 3 0 327.517 -0.788 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2C[C@H]3CC[N@H+](C)C[C@H]3C2)CC1 ZINC001363993152 1132157925 /nfs/dbraw/zinc/15/79/25/1132157925.db2.gz NWNSJKIGCINPIY-CVEARBPZSA-N 2 0 344.525 -0.163 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C2(S(N)(=O)=O)CC2)C[C@H]1C[NH+](C)C ZINC001364449956 1132321564 /nfs/dbraw/zinc/32/15/64/1132321564.db2.gz XYIFKRNJNZABCU-VXGBXAGGSA-N 2 0 332.470 -0.995 20 0 EBADRP Cn1cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C(N)=O)n1 ZINC001365076930 1132536308 /nfs/dbraw/zinc/53/63/08/1132536308.db2.gz DKLAGGYODPJZFT-UHFFFAOYSA-N 2 0 325.417 -0.524 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001365819411 1132817231 /nfs/dbraw/zinc/81/72/31/1132817231.db2.gz JZOYQLCJSHPSSP-BJHJDKERSA-N 2 0 339.440 -0.732 20 0 EBADRP CCO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001365864746 1132842407 /nfs/dbraw/zinc/84/24/07/1132842407.db2.gz VXHARFSQIDRHSH-MGPQQGTHSA-N 2 0 326.441 -0.720 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001480680660 1132957307 /nfs/dbraw/zinc/95/73/07/1132957307.db2.gz WGRZVYGYYZBFGT-ZDUSSCGKSA-N 2 0 337.424 -0.928 20 0 EBADRP CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1)[NH+](C)C ZINC001366094725 1133000375 /nfs/dbraw/zinc/00/03/75/1133000375.db2.gz SPPKGLYONXGABD-KBPBESRZSA-N 2 0 348.513 -0.346 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001366107202 1133009230 /nfs/dbraw/zinc/00/92/30/1133009230.db2.gz BDJCBJARNKXCMR-DDHJBXDOSA-N 2 0 325.413 -0.839 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001366131776 1133020597 /nfs/dbraw/zinc/02/05/97/1133020597.db2.gz PMSBZMUKXBHZTP-JOCQHMNTSA-N 2 0 336.440 -0.113 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001366133781 1133021380 /nfs/dbraw/zinc/02/13/80/1133021380.db2.gz YTWNCAHHCJCGEH-IHRRRGAJSA-N 2 0 331.482 0.000 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1)C(=O)NC(N)=O ZINC001366153804 1133030163 /nfs/dbraw/zinc/03/01/63/1133030163.db2.gz DUWZINYGNHSTAQ-ZMLRMANQSA-N 2 0 325.413 -0.852 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1)C(=O)NC(N)=O ZINC001366159233 1133032131 /nfs/dbraw/zinc/03/21/31/1133032131.db2.gz ZRVCSLAJECOUNA-UTUOFQBUSA-N 2 0 337.424 -0.565 20 0 EBADRP CN(CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001366170229 1133037353 /nfs/dbraw/zinc/03/73/53/1133037353.db2.gz NLDOPTMFUYZUHM-MCIONIFRSA-N 2 0 346.497 -0.544 20 0 EBADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1)[NH+](C)C ZINC001366173009 1133039128 /nfs/dbraw/zinc/03/91/28/1133039128.db2.gz SHUCWTWTICWKFI-LJISPDSOSA-N 2 0 340.468 -0.453 20 0 EBADRP C[C@@H]([NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001366247836 1133072858 /nfs/dbraw/zinc/07/28/58/1133072858.db2.gz INRHACWMDZFEHY-VOMCLLRMSA-N 2 0 327.429 -0.462 20 0 EBADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCN1CCNC1=O ZINC001366276221 1133080320 /nfs/dbraw/zinc/08/03/20/1133080320.db2.gz KGMGPNGKPGHMFS-ZIAGYGMSSA-N 2 0 325.457 -0.021 20 0 EBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCN1CCCS1(=O)=O ZINC001366340876 1133105108 /nfs/dbraw/zinc/10/51/08/1133105108.db2.gz GMAGIFCHXYKCBS-ZDUSSCGKSA-N 2 0 344.481 -0.788 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CCN1CCCS1(=O)=O)[NH+](C)C ZINC001366346472 1133106582 /nfs/dbraw/zinc/10/65/82/1133106582.db2.gz MUSJLXZACWGVHC-KBPBESRZSA-N 2 0 348.513 -0.298 20 0 EBADRP C[C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)[NH2+]CC(=O)N1CCCC1 ZINC001366356551 1133109385 /nfs/dbraw/zinc/10/93/85/1133109385.db2.gz IOYXQUGFJYXRPK-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC2CCOCC2)C1)[NH+](C)C ZINC001366380316 1133119798 /nfs/dbraw/zinc/11/97/98/1133119798.db2.gz FAOIOZBWFGKQBA-LSDHHAIUSA-N 2 0 340.468 -0.188 20 0 EBADRP CC[N@H+](CCNC(=O)c1cnn(CC[NH+](C)C)c1)[C@@H]1CCNC1=O ZINC001366635442 1133220110 /nfs/dbraw/zinc/22/01/10/1133220110.db2.gz OFMOVUDEPJNVNQ-CQSZACIVSA-N 2 0 336.440 -0.615 20 0 EBADRP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001366704261 1133263071 /nfs/dbraw/zinc/26/30/71/1133263071.db2.gz SXGIEKVMWRDHRV-QWHCGFSZSA-N 2 0 339.440 -0.778 20 0 EBADRP CC[C@@H](C(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001366779388 1133295401 /nfs/dbraw/zinc/29/54/01/1133295401.db2.gz WVOUKQJMXQDFHC-YPMHNXCESA-N 2 0 341.456 -0.249 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC([C@@H](C)[NH2+]CC(=O)NC(N)=O)CC1 ZINC001366787384 1133297009 /nfs/dbraw/zinc/29/70/09/1133297009.db2.gz ZJFHRPWJPWVRDD-GFCCVEGCSA-N 2 0 341.456 -0.260 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001366899174 1133351881 /nfs/dbraw/zinc/35/18/81/1133351881.db2.gz ZSSYWYDEVCTDMV-XHSDSOJGSA-N 2 0 325.453 -0.084 20 0 EBADRP C[C@@H]([NH2+]CC[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001367192826 1133498344 /nfs/dbraw/zinc/49/83/44/1133498344.db2.gz PWWUNGVGTYSLCG-OLZOCXBDSA-N 2 0 341.456 -0.260 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001367201561 1133500507 /nfs/dbraw/zinc/50/05/07/1133500507.db2.gz YLLWXZCSXVOZHL-HAQNSBGRSA-N 2 0 337.424 -0.706 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001367221961 1133505814 /nfs/dbraw/zinc/50/58/14/1133505814.db2.gz KLVPNMFSYYNNKZ-NEPJUHHUSA-N 2 0 325.413 -0.754 20 0 EBADRP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1)C(=O)NC(N)=O ZINC001367329066 1133551564 /nfs/dbraw/zinc/55/15/64/1133551564.db2.gz WXXSBHKGOIUULV-NWDGAFQWSA-N 2 0 339.440 -0.460 20 0 EBADRP C[C@H](C[NH2+]CC(=O)N1CCOCC1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001367358918 1133561848 /nfs/dbraw/zinc/56/18/48/1133561848.db2.gz NIOFBVYOVYBYBX-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001367433792 1133588806 /nfs/dbraw/zinc/58/88/06/1133588806.db2.gz FKTFOGRTVNWUSF-NWDGAFQWSA-N 2 0 339.440 -0.508 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](CNC(=O)C[N@H+](C)C1CCC1)C(C)C ZINC001367471895 1133596904 /nfs/dbraw/zinc/59/69/04/1133596904.db2.gz HRSNOQCVGQZLJL-CYBMUJFWSA-N 2 0 341.456 -0.343 20 0 EBADRP CC(C)[C@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]CC(=O)N(C)C ZINC001367476656 1133598297 /nfs/dbraw/zinc/59/82/97/1133598297.db2.gz AIIOREGYWYEEMG-HNNXBMFYSA-N 2 0 342.484 -0.084 20 0 EBADRP COc1ncccc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001367588121 1133658439 /nfs/dbraw/zinc/65/84/39/1133658439.db2.gz ZFHWUYVXFQIZFG-CVEARBPZSA-N 2 0 348.447 -0.001 20 0 EBADRP CCN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001367592562 1133664910 /nfs/dbraw/zinc/66/49/10/1133664910.db2.gz RLDPARPTMQPZMB-BPLDGKMQSA-N 2 0 340.468 -0.596 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001367601265 1133677772 /nfs/dbraw/zinc/67/77/72/1133677772.db2.gz MHJKPLLALSQAPW-CQSZACIVSA-N 2 0 328.457 -0.738 20 0 EBADRP CC1CC[NH+](CC(=O)NC[C@H](O)C[NH2+][C@@H]2CCCN(C)C2=O)CC1 ZINC001367618238 1133700723 /nfs/dbraw/zinc/70/07/23/1133700723.db2.gz YCLOIAKDKOQPQK-HUUCEWRRSA-N 2 0 340.468 -0.594 20 0 EBADRP Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)COC2CC[NH+](C)CC2)n1 ZINC001367619104 1133703125 /nfs/dbraw/zinc/70/31/25/1133703125.db2.gz PVTBZLLLBYCEFF-AWEZNQCLSA-N 2 0 339.440 -0.902 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N1CCO[C@H](C)C1)[NH+](C)C ZINC001367675079 1133741362 /nfs/dbraw/zinc/74/13/62/1133741362.db2.gz GSRROFFJGFLEKQ-FMKPAKJESA-N 2 0 342.484 -0.086 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)s1 ZINC001367753428 1133772044 /nfs/dbraw/zinc/77/20/44/1133772044.db2.gz PGEFYWDCRMJVIR-VIFPVBQESA-N 2 0 328.442 -0.169 20 0 EBADRP COCCc1noc(CNC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001367773161 1133779436 /nfs/dbraw/zinc/77/94/36/1133779436.db2.gz WVSNNUYPJRVNKP-NWDGAFQWSA-N 2 0 325.413 -0.196 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001367902403 1133832359 /nfs/dbraw/zinc/83/23/59/1133832359.db2.gz YXAQIVWDUMVVIY-NWDGAFQWSA-N 2 0 325.413 -0.979 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C2CC2)CCO1 ZINC001367913515 1133838136 /nfs/dbraw/zinc/83/81/36/1133838136.db2.gz RECGZADMMLPSOD-UKRRQHHQSA-N 2 0 340.468 -0.330 20 0 EBADRP CNC(=O)C[N@H+](CCOC)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001368055661 1133914929 /nfs/dbraw/zinc/91/49/29/1133914929.db2.gz YYOFSOFMJMYDKI-AWEZNQCLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC001368228714 1133998541 /nfs/dbraw/zinc/99/85/41/1133998541.db2.gz OCABOBAPKZAERQ-OAHLLOKOSA-N 2 0 348.513 -0.294 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC(=O)N2CCC2)CCOCC1 ZINC001368242538 1134012686 /nfs/dbraw/zinc/01/26/86/1134012686.db2.gz WNVHRNGYYFLZFK-UHFFFAOYSA-N 2 0 340.468 -0.186 20 0 EBADRP COC[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001368358642 1134162940 /nfs/dbraw/zinc/16/29/40/1134162940.db2.gz VQSBSVKRPKLJMH-TWMKSMIVSA-N 2 0 337.464 -0.274 20 0 EBADRP CN1CCC[C@@H]([NH2+]CCN(CCO)C(=O)C2([NH+](C)C)CCC2)C1=O ZINC001368394424 1134197058 /nfs/dbraw/zinc/19/70/58/1134197058.db2.gz GUVDUFQWOVWIDB-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@@H]([NH2+]CCN(CCO)C(=O)C[NH+]1CCCC1)C(=O)NC(C)(C)C ZINC001368409791 1134211354 /nfs/dbraw/zinc/21/13/54/1134211354.db2.gz LVUIOTLHXZFCAR-CQSZACIVSA-N 2 0 342.484 -0.204 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]C[C@@H](O)Cn2cccn2)CCC1 ZINC001368467285 1134243739 /nfs/dbraw/zinc/24/37/39/1134243739.db2.gz XUOMXDUZQOIZBS-HUUCEWRRSA-N 2 0 335.452 -0.033 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC001368502076 1134255826 /nfs/dbraw/zinc/25/58/26/1134255826.db2.gz CXJSRNNYNBVRKI-JONQDZQNSA-N 2 0 343.468 -0.459 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCO[C@@H](C[NH2+]CC(=O)N2CCCC2)C1 ZINC001368504137 1134256824 /nfs/dbraw/zinc/25/68/24/1134256824.db2.gz JIAHZVIRNYTWQL-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001368505982 1134258275 /nfs/dbraw/zinc/25/82/75/1134258275.db2.gz CPGSMJNBEHKMSI-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001368512477 1134265413 /nfs/dbraw/zinc/26/54/13/1134265413.db2.gz WTWYTWKRXVHWCX-LSDHHAIUSA-N 2 0 329.441 -0.848 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1 ZINC001368518250 1134269868 /nfs/dbraw/zinc/26/98/68/1134269868.db2.gz SJIFZEORNAUYCG-HNNXBMFYSA-N 2 0 340.468 -0.185 20 0 EBADRP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CCO1 ZINC001368532276 1134279019 /nfs/dbraw/zinc/27/90/19/1134279019.db2.gz KJMJXDXLCZUOIC-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP CN(CC[NH2+][C@H]1C[C@@H](CNC(=O)C[NH+]2CCCC2)C1)S(C)(=O)=O ZINC001368535519 1134279552 /nfs/dbraw/zinc/27/95/52/1134279552.db2.gz HIWICRPWRHYKLR-OKILXGFUSA-N 2 0 346.497 -0.542 20 0 EBADRP C[C@H]([NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCO1)C(N)=O ZINC001368578322 1134301255 /nfs/dbraw/zinc/30/12/55/1134301255.db2.gz JMLIIFMGYVFAEV-KBPBESRZSA-N 2 0 340.468 -0.058 20 0 EBADRP CNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001368620127 1134331194 /nfs/dbraw/zinc/33/11/94/1134331194.db2.gz DCLRAUFXPIUFTE-XJKSGUPXSA-N 2 0 326.441 -0.840 20 0 EBADRP CN1CC[C@@H]([NH2+]CC2(NC(=O)[C@H]3CCC[N@@H+]3C)CCOCC2)C1=O ZINC001368625878 1134337217 /nfs/dbraw/zinc/33/72/17/1134337217.db2.gz HKUOYELKEVRAGR-ZIAGYGMSSA-N 2 0 338.452 -0.434 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@@](CO)([NH2+]CC(=O)N(C)CC)C1)[NH+](C)C ZINC001368633218 1134346118 /nfs/dbraw/zinc/34/61/18/1134346118.db2.gz RKTQTYAFXTVVDW-RHSMWYFYSA-N 2 0 342.484 -0.252 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2(C[NH2+][C@@H]3CCCNC3=O)CCOCC2)C1 ZINC001368637489 1134349272 /nfs/dbraw/zinc/34/92/72/1134349272.db2.gz NBPCVIZKNYSSOS-UONOGXRCSA-N 2 0 338.452 -0.528 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+]CC(=O)N2CCC2)CC1 ZINC001368678580 1134375714 /nfs/dbraw/zinc/37/57/14/1134375714.db2.gz KCCAYRVQSYJBKF-CQSZACIVSA-N 2 0 338.452 -0.744 20 0 EBADRP COC[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001368682963 1134380839 /nfs/dbraw/zinc/38/08/39/1134380839.db2.gz PBEHUXHDOCTKPV-CABCVRRESA-N 2 0 343.468 -0.721 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C[NH2+][C@H](C)C(N)=O)CC2)CC[N@@H+]1C ZINC001368685458 1134383965 /nfs/dbraw/zinc/38/39/65/1134383965.db2.gz HYGHDMNEFGUKSA-HZSPNIEDSA-N 2 0 340.468 -0.466 20 0 EBADRP NC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001368684739 1134384516 /nfs/dbraw/zinc/38/45/16/1134384516.db2.gz GTDPZNFRCBFUQN-ZIAGYGMSSA-N 2 0 338.452 -0.568 20 0 EBADRP C[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001368718425 1134405310 /nfs/dbraw/zinc/40/53/10/1134405310.db2.gz PRMGBSPBIBTTNA-QWRGUYRKSA-N 2 0 327.429 -0.462 20 0 EBADRP C[NH+](C)CCCC(=O)NC1(CO)CC[NH+](CCn2cncn2)CC1 ZINC001368771977 1134433607 /nfs/dbraw/zinc/43/36/07/1134433607.db2.gz ZUADZEHMQBICRS-UHFFFAOYSA-N 2 0 338.456 -0.437 20 0 EBADRP C[NH+](C)CCC(=O)NC1CC(C[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001368822018 1134455775 /nfs/dbraw/zinc/45/57/75/1134455775.db2.gz KQXUCKSERACWMJ-UHFFFAOYSA-N 2 0 336.440 -0.256 20 0 EBADRP C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@@H](C)[NH2+]CCn1cncn1 ZINC001368885472 1134475058 /nfs/dbraw/zinc/47/50/58/1134475058.db2.gz FROXFJJYZRNFFP-ZIAGYGMSSA-N 2 0 338.456 -0.128 20 0 EBADRP CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+][C@@H](C)C(=O)NC(N)=O)[NH+](C)C ZINC001368908693 1134481935 /nfs/dbraw/zinc/48/19/35/1134481935.db2.gz RSVCWNRDLACWHH-NWDGAFQWSA-N 2 0 343.472 -0.016 20 0 EBADRP CN1CCC[C@H]([N@H+]2C[C@@H]3[C@@H](CNC(=O)C[NH+]4CCCC4)[C@@H]3C2)C1=O ZINC001369153660 1134596220 /nfs/dbraw/zinc/59/62/20/1134596220.db2.gz NLTXJYHDKYEFPK-JONQDZQNSA-N 2 0 334.464 -0.003 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001369175926 1134606988 /nfs/dbraw/zinc/60/69/88/1134606988.db2.gz IYPSTNIXUGIFHL-SRVKXCTJSA-N 2 0 327.429 -0.604 20 0 EBADRP CC[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1)C(N)=O ZINC001369176167 1134607063 /nfs/dbraw/zinc/60/70/63/1134607063.db2.gz AVSJRHLOILNMGG-TUVASFSCSA-N 2 0 340.468 -0.297 20 0 EBADRP CC[C@@H](C(=O)N(C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1CC1)[NH+](C)C ZINC001369229661 1134624728 /nfs/dbraw/zinc/62/47/28/1134624728.db2.gz PEZYWRRULQNRBI-RYUDHWBXSA-N 2 0 327.429 -0.652 20 0 EBADRP C[C@@H](CN(C)C(=O)C[N@H+](C)C1CCC1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001369248767 1134629428 /nfs/dbraw/zinc/62/94/28/1134629428.db2.gz BSDUKFPNERLVMX-QWRGUYRKSA-N 2 0 327.429 -0.509 20 0 EBADRP CNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001369266089 1134635388 /nfs/dbraw/zinc/63/53/88/1134635388.db2.gz UKLZLOKNOBYMNX-KBPBESRZSA-N 2 0 342.484 -0.084 20 0 EBADRP CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001369325029 1134665824 /nfs/dbraw/zinc/66/58/24/1134665824.db2.gz QGCQABDTSSMPGV-ZIAGYGMSSA-N 2 0 342.484 -0.207 20 0 EBADRP CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC1CCS(=O)(=O)CC1)[NH+](C)C ZINC001369364950 1134720049 /nfs/dbraw/zinc/72/00/49/1134720049.db2.gz OHPHPJAZLGDJHL-KBPBESRZSA-N 2 0 349.497 -0.782 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001369375931 1134733113 /nfs/dbraw/zinc/73/31/13/1134733113.db2.gz RGGXXPPDXQWKQW-KBPBESRZSA-N 2 0 328.457 -0.690 20 0 EBADRP C[C@@H]([NH2+][C@H](CO)CNC(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001369375963 1134734018 /nfs/dbraw/zinc/73/40/18/1134734018.db2.gz CVHWLNBEIBYBBH-RISCZKNCSA-N 2 0 326.441 -0.951 20 0 EBADRP C[C@H]([NH2+][C@H](CO)CNC(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001369375962 1134734628 /nfs/dbraw/zinc/73/46/28/1134734628.db2.gz CVHWLNBEIBYBBH-FZMZJTMJSA-N 2 0 326.441 -0.951 20 0 EBADRP C[C@H]1[C@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001369391823 1134752324 /nfs/dbraw/zinc/75/23/24/1134752324.db2.gz NGOXFCPYPXLWAN-WDEREUQCSA-N 2 0 325.413 -0.898 20 0 EBADRP C[N@H+](CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1)C1CCC1 ZINC001369420695 1134772326 /nfs/dbraw/zinc/77/23/26/1134772326.db2.gz LCMWXHUCNPNOPH-RYUDHWBXSA-N 2 0 339.440 -0.460 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]CC(=O)NC(=O)NC)C(C)(C)C1)[NH+](C)C ZINC001369435620 1134778553 /nfs/dbraw/zinc/77/85/53/1134778553.db2.gz HDVNYRJXKLLQAL-NWDGAFQWSA-N 2 0 341.456 -0.391 20 0 EBADRP COc1cncc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001369447864 1134785991 /nfs/dbraw/zinc/78/59/91/1134785991.db2.gz DNNXQXUQFARTJN-KGLIPLIRSA-N 2 0 337.424 -0.512 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001369472764 1134829513 /nfs/dbraw/zinc/82/95/13/1134829513.db2.gz LDGJKHHMOLPKJH-STQMWFEESA-N 2 0 326.441 -0.842 20 0 EBADRP CN(C[C@@H](O)C[NH2+]Cc1cnns1)C(=O)C1([NH+](C)C)CCC1 ZINC001369474525 1134831942 /nfs/dbraw/zinc/83/19/42/1134831942.db2.gz PNPYTWCKRNOPAW-NSHDSACASA-N 2 0 327.454 -0.069 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001369477701 1134840311 /nfs/dbraw/zinc/84/03/11/1134840311.db2.gz VWLUELZHMPGENV-WBMJQRKESA-N 2 0 346.447 -0.646 20 0 EBADRP COc1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)ccn1 ZINC001369478472 1134841557 /nfs/dbraw/zinc/84/15/57/1134841557.db2.gz CPENUEQQKWAONM-LSDHHAIUSA-N 2 0 336.436 -0.049 20 0 EBADRP Cc1nn(C)cc1C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001369484411 1134853288 /nfs/dbraw/zinc/85/32/88/1134853288.db2.gz QBWJMMWXKGZGFY-CZUORRHYSA-N 2 0 337.468 -0.021 20 0 EBADRP CN(C[C@@H](O)C[N@H+](C)[C@H]1CCCNC1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001369504611 1134892334 /nfs/dbraw/zinc/89/23/34/1134892334.db2.gz GULGASRKQXVFEJ-KBPBESRZSA-N 2 0 340.468 -0.500 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]([NH2+]CC(=O)N1CCOCC1)C1CC1 ZINC001370210579 1135251580 /nfs/dbraw/zinc/25/15/80/1135251580.db2.gz DLTPOANZMXFRSH-AWEZNQCLSA-N 2 0 326.441 -0.719 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1)C(=O)NC(N)=O ZINC001370514201 1135385310 /nfs/dbraw/zinc/38/53/10/1135385310.db2.gz DUWZINYGNHSTAQ-YUSALJHKSA-N 2 0 325.413 -0.852 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001370523886 1135391387 /nfs/dbraw/zinc/39/13/87/1135391387.db2.gz QGQWBKGZSCLCGC-AVGNSLFASA-N 2 0 341.456 -0.201 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001370560270 1135409501 /nfs/dbraw/zinc/40/95/01/1135409501.db2.gz IHPPJNPQFYHLLB-IJLUTSLNSA-N 2 0 325.413 -0.979 20 0 EBADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1)[NH+](C)C ZINC001370649544 1135452358 /nfs/dbraw/zinc/45/23/58/1135452358.db2.gz MOSPHQQPCAVIKQ-WISYIIOYSA-N 2 0 327.429 -0.593 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001370674559 1135481105 /nfs/dbraw/zinc/48/11/05/1135481105.db2.gz PQDNSNHYZAUOHB-MBNYWOFBSA-N 2 0 341.456 -0.345 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N[C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001370704105 1135521576 /nfs/dbraw/zinc/52/15/76/1135521576.db2.gz BTGVCTZVOWWBQS-ZDUSSCGKSA-N 2 0 349.435 -0.550 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001370705144 1135522955 /nfs/dbraw/zinc/52/29/55/1135522955.db2.gz CIBSLCMXFZSOKH-CABCVRRESA-N 2 0 340.468 -0.737 20 0 EBADRP CC[C@H](C(=O)N[C@H](CO)CNC(=O)C1CC[NH+](C)CC1)[NH+](C)C ZINC001370727313 1135555013 /nfs/dbraw/zinc/55/50/13/1135555013.db2.gz SAFTUUSTFYTDAA-UONOGXRCSA-N 2 0 328.457 -0.738 20 0 EBADRP CC[C@H](C(=O)N[C@@H](CO)CNC(=O)C1CC[NH+](C)CC1)[NH+](C)C ZINC001370727315 1135555237 /nfs/dbraw/zinc/55/52/37/1135555237.db2.gz SAFTUUSTFYTDAA-ZIAGYGMSSA-N 2 0 328.457 -0.738 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001370743581 1135580146 /nfs/dbraw/zinc/58/01/46/1135580146.db2.gz LOUNAZNQORGTDU-KGLIPLIRSA-N 2 0 328.457 -0.594 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001370994906 1135748693 /nfs/dbraw/zinc/74/86/93/1135748693.db2.gz JULXLEZQLOBCFX-GJZGRUSLSA-N 2 0 342.484 -0.254 20 0 EBADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001371197788 1135862499 /nfs/dbraw/zinc/86/24/99/1135862499.db2.gz CCIZPARZSVEWHT-QWHCGFSZSA-N 2 0 331.482 0.000 20 0 EBADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001371205435 1135864282 /nfs/dbraw/zinc/86/42/82/1135864282.db2.gz SXDWBOJECAKAKJ-KBPBESRZSA-N 2 0 340.468 -0.452 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001371465922 1135926077 /nfs/dbraw/zinc/92/60/77/1135926077.db2.gz FKTUSKRYSALGFS-ZIAGYGMSSA-N 2 0 328.457 -0.642 20 0 EBADRP C[N@H+](CC(=O)N1CC[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1)C1CCC1 ZINC001371510774 1135941200 /nfs/dbraw/zinc/94/12/00/1135941200.db2.gz SCKZEUCNVIROKL-GOEBONIOSA-N 2 0 335.452 -0.081 20 0 EBADRP CC[NH+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001371543923 1135964806 /nfs/dbraw/zinc/96/48/06/1135964806.db2.gz SAEWQPGQYYKSQQ-KGLIPLIRSA-N 2 0 342.484 -0.254 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001371579039 1135974920 /nfs/dbraw/zinc/97/49/20/1135974920.db2.gz IQHJCBNCURJZNG-CHWSQXEVSA-N 2 0 341.456 -0.390 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001371610075 1135983246 /nfs/dbraw/zinc/98/32/46/1135983246.db2.gz DGUOKEPRZLJGLV-HUUCEWRRSA-N 2 0 343.468 -0.457 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001371763610 1136015691 /nfs/dbraw/zinc/01/56/91/1136015691.db2.gz CHBVNJIXFDUTLW-OLZOCXBDSA-N 2 0 341.456 -0.199 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001372674253 1136265938 /nfs/dbraw/zinc/26/59/38/1136265938.db2.gz TUOGQIQCMHECSC-LSDHHAIUSA-N 2 0 343.493 -0.045 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001372941005 1136332397 /nfs/dbraw/zinc/33/23/97/1136332397.db2.gz MWGDAHNGUQIVKU-YPMHNXCESA-N 2 0 339.440 -0.780 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1)[NH+](C)C ZINC001373356864 1136433837 /nfs/dbraw/zinc/43/38/37/1136433837.db2.gz RXDACBDHRFYRPI-AGIUHOORSA-N 2 0 341.456 -0.249 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@H]1CCCN([C@@H](C)C(=O)NC(N)=O)C1)[NH+](C)C ZINC001373396717 1136444797 /nfs/dbraw/zinc/44/47/97/1136444797.db2.gz WLRRWLRXIRJNEU-AVGNSLFASA-N 2 0 341.456 -0.263 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001373735939 1136550689 /nfs/dbraw/zinc/55/06/89/1136550689.db2.gz CDKCNVJEZUUHKN-STQMWFEESA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@](C)(C[NH2+]CC(=O)NC(N)=O)C2CC2)C1 ZINC001373889120 1136581293 /nfs/dbraw/zinc/58/12/93/1136581293.db2.gz NHSUCTWIYAOBLD-MEDUHNTESA-N 2 0 339.440 -0.602 20 0 EBADRP C[C@@H]([NH2+]CCC1CCN(C(=O)CC[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001373906944 1136584519 /nfs/dbraw/zinc/58/45/19/1136584519.db2.gz QTSOTMIKTJCOQG-GFCCVEGCSA-N 2 0 341.456 -0.260 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001373966191 1136595111 /nfs/dbraw/zinc/59/51/11/1136595111.db2.gz OAKKDPIBPXKEPF-CQSZACIVSA-N 2 0 336.440 -0.615 20 0 EBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001374072734 1136617724 /nfs/dbraw/zinc/61/77/24/1136617724.db2.gz NCVOFVUXIKRQQM-WDEREUQCSA-N 2 0 327.429 -0.747 20 0 EBADRP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]CC(=O)N1CCOCC1 ZINC001374088176 1136620454 /nfs/dbraw/zinc/62/04/54/1136620454.db2.gz TZQISPFSZHUQHD-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H](CNC(=O)COC1CC[NH+](C)CC1)C[NH2+]Cc1ncnn1C ZINC001374092587 1136621269 /nfs/dbraw/zinc/62/12/69/1136621269.db2.gz XVFMPVSRQQIVHM-ZDUSSCGKSA-N 2 0 338.456 -0.232 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)N1CCOCC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001374247739 1136657578 /nfs/dbraw/zinc/65/75/78/1136657578.db2.gz UGQHNDSFJBFBMU-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374354844 1136677776 /nfs/dbraw/zinc/67/77/76/1136677776.db2.gz TVAMVYZJOCVOJB-QWHCGFSZSA-N 2 0 341.456 -0.356 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001374385298 1136680932 /nfs/dbraw/zinc/68/09/32/1136680932.db2.gz OOELZXZZSKZURJ-NEPJUHHUSA-N 2 0 327.429 -0.652 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCN2CCNC2=O)C1 ZINC001374563936 1136720691 /nfs/dbraw/zinc/72/06/91/1136720691.db2.gz XLEMVPFSVUREAN-LSDHHAIUSA-N 2 0 337.468 -0.114 20 0 EBADRP Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)C23CCC[NH+](CCC2)C3)n1 ZINC001374612911 1136745771 /nfs/dbraw/zinc/74/57/71/1136745771.db2.gz BORKUJASEFQLFG-OAHLLOKOSA-N 2 0 335.452 -0.137 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H](O)C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC001374640210 1136768666 /nfs/dbraw/zinc/76/86/66/1136768666.db2.gz GROXZYLBLHOOAJ-ZIAGYGMSSA-N 2 0 337.420 -0.155 20 0 EBADRP C[C@@H](C[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1)CS(C)(=O)=O ZINC001374641100 1136769313 /nfs/dbraw/zinc/76/93/13/1136769313.db2.gz IOXLHTIXVZPEQQ-JSGCOSHPSA-N 2 0 349.497 -0.924 20 0 EBADRP COc1ccc(C[NH2+]C[C@H](O)CNC(=O)C[N@@H+]2CC[C@@H](C)C2)nn1 ZINC001374656991 1136779994 /nfs/dbraw/zinc/77/99/94/1136779994.db2.gz QBEDRXAMPJWCKA-OCCSQVGLSA-N 2 0 337.424 -0.606 20 0 EBADRP O=C(NC[C@H](O)C[NH2+]C[C@@H](O)Cc1ccccc1)C12CC[NH+](CC1)C2 ZINC001374667069 1136787637 /nfs/dbraw/zinc/78/76/37/1136787637.db2.gz ALZVMFZULFTTLI-DLBZAZTESA-N 2 0 347.459 -0.248 20 0 EBADRP Cc1nnsc1C[NH2+]C[C@@H](O)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001374677271 1136794893 /nfs/dbraw/zinc/79/48/93/1136794893.db2.gz YOWRYVWMIKMXDQ-YPMHNXCESA-N 2 0 329.470 -0.001 20 0 EBADRP O=C(CCC[NH+]1CCCCC1)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001374685979 1136801775 /nfs/dbraw/zinc/80/17/75/1136801775.db2.gz RQHXMWHQCXGWCF-LSDHHAIUSA-N 2 0 340.468 -0.402 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001374850218 1136853735 /nfs/dbraw/zinc/85/37/35/1136853735.db2.gz UYEDZBKLMFEHLC-KGLIPLIRSA-N 2 0 348.513 -0.298 20 0 EBADRP C[NH+](C)CCC(=O)NCC1CN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001374895639 1136867608 /nfs/dbraw/zinc/86/76/08/1136867608.db2.gz FLHWWPRBPOATAJ-UHFFFAOYSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)NC[C@@H]1CCCO1)NC(=O)C1CC[NH+](C)CC1 ZINC001374929430 1136877722 /nfs/dbraw/zinc/87/77/22/1136877722.db2.gz CMFRHQOGRHADLD-ZFWWWQNUSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CCC[NH+]1CCCCC1 ZINC001374977556 1136887694 /nfs/dbraw/zinc/88/76/94/1136887694.db2.gz BCQITDWMBNNACT-ZDUSSCGKSA-N 2 0 338.456 -0.031 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)N(C)C1CC1)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001374976485 1136887920 /nfs/dbraw/zinc/88/79/20/1136887920.db2.gz IKGTWCLDMBYRLX-KBPBESRZSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CCO1 ZINC000642793867 376190504 /nfs/dbraw/zinc/19/05/04/376190504.db2.gz AMMODMFEDYIKQJ-GXTWGEPZSA-N 2 0 326.441 -0.448 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)C1 ZINC000642795925 376198578 /nfs/dbraw/zinc/19/85/78/376198578.db2.gz JUZBWKKRPYUEIK-ZIAGYGMSSA-N 2 0 326.441 -0.720 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C[NH2+]1 ZINC000643581091 375912629 /nfs/dbraw/zinc/91/26/29/375912629.db2.gz MQRZVEISZCEFAD-KBPBESRZSA-N 2 0 331.420 -0.061 20 0 EBADRP O[C@H]1CC[NH+](CCNc2cnc(NCC[N@H+]3CC[C@H](O)C3)cn2)C1 ZINC000624778393 375937795 /nfs/dbraw/zinc/93/77/95/375937795.db2.gz ZZSAIJIUNNXAGG-KBPBESRZSA-N 2 0 336.440 -0.566 20 0 EBADRP C[NH+]1CCN(C[C@@H]2CN(C[C@@H](O)CC3(O)CCC3)CCO2)CC1 ZINC000625152183 375988499 /nfs/dbraw/zinc/98/84/99/375988499.db2.gz KOJRMBQCHAYIMP-JKSUJKDBSA-N 2 0 327.469 -0.399 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000642773226 376093429 /nfs/dbraw/zinc/09/34/29/376093429.db2.gz BUXJCRYHMGMGPD-MJBXVCDLSA-N 2 0 326.441 -0.448 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642744614 376065531 /nfs/dbraw/zinc/06/55/31/376065531.db2.gz ZZZKCMQLUNEOMM-UONOGXRCSA-N 2 0 326.441 -0.719 20 0 EBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCOCCC[NH3+] ZINC000624408454 376213121 /nfs/dbraw/zinc/21/31/21/376213121.db2.gz ULGBQSOXZBNHNL-UHFFFAOYSA-N 2 0 347.485 -0.295 20 0 EBADRP C[C@H](Cn1cccn1)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000559302734 376407895 /nfs/dbraw/zinc/40/78/95/376407895.db2.gz KQFQEMACKJVLBU-CQSZACIVSA-N 2 0 338.456 -0.660 20 0 EBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C[N@H+](C)C1CCC1 ZINC000600824555 376505592 /nfs/dbraw/zinc/50/55/92/376505592.db2.gz CKHVDVAVUAKRHP-UHFFFAOYSA-N 2 0 340.468 -0.280 20 0 EBADRP CC[NH2+]CCCNC(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000642895464 376557012 /nfs/dbraw/zinc/55/70/12/376557012.db2.gz NQKVMIPQLAMRLN-UHFFFAOYSA-N 2 0 349.435 -0.145 20 0 EBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000642892964 376527709 /nfs/dbraw/zinc/52/77/09/376527709.db2.gz JRSYOKZCLDHNBA-LSDHHAIUSA-N 2 0 337.468 -0.907 20 0 EBADRP COCCCS(=O)(=O)NCC[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000566244945 376601034 /nfs/dbraw/zinc/60/10/34/376601034.db2.gz DAMAPYNNVDIOHL-CABCVRRESA-N 2 0 349.497 -0.230 20 0 EBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000642914852 376731033 /nfs/dbraw/zinc/73/10/33/376731033.db2.gz ONVDYDSGRWTRPT-LSDHHAIUSA-N 2 0 337.468 -0.907 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000642912354 376712523 /nfs/dbraw/zinc/71/25/23/376712523.db2.gz AQOZMCFTFIPMNH-KBPBESRZSA-N 3 0 327.473 -0.676 20 0 EBADRP C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642918154 376748954 /nfs/dbraw/zinc/74/89/54/376748954.db2.gz OTOAADPPSDEXJJ-LBPRGKRZSA-N 2 0 326.441 -0.842 20 0 EBADRP O=C(NCC[NH2+]C1CC1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000642919735 376754739 /nfs/dbraw/zinc/75/47/39/376754739.db2.gz DZIWQFBXYXWWBT-UHFFFAOYSA-N 2 0 338.452 -0.575 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919795 376755073 /nfs/dbraw/zinc/75/50/73/376755073.db2.gz GSFWLJOBDVVBAG-CQSZACIVSA-N 2 0 326.441 -0.576 20 0 EBADRP CC[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@H](C)O1 ZINC000583426772 376796762 /nfs/dbraw/zinc/79/67/62/376796762.db2.gz RCGGMEMAJDUBHT-CABCVRRESA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@@H+](C2CCC2)C1 ZINC000561204241 376816259 /nfs/dbraw/zinc/81/62/59/376816259.db2.gz MSCRKYBQIWUXRX-AWEZNQCLSA-N 2 0 337.468 -0.066 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCOCC1 ZINC000561576058 376855368 /nfs/dbraw/zinc/85/53/68/376855368.db2.gz YIRWYGHQDMGRNB-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000642946652 377017760 /nfs/dbraw/zinc/01/77/60/377017760.db2.gz AVUGIXVVSAUNCH-HUUCEWRRSA-N 2 0 339.484 -0.676 20 0 EBADRP CN1CCN(C(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000569678094 377086964 /nfs/dbraw/zinc/08/69/64/377086964.db2.gz YAJKLXHEESOIKR-HZPDHXFCSA-N 2 0 347.463 -0.493 20 0 EBADRP COCCOCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000635929356 377138290 /nfs/dbraw/zinc/13/82/90/377138290.db2.gz UASXOEFMELFPBT-HZPDHXFCSA-N 2 0 343.468 -0.361 20 0 EBADRP Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000570161122 377212277 /nfs/dbraw/zinc/21/22/77/377212277.db2.gz UFWBRBPXWNUCDY-GFCCVEGCSA-N 2 0 346.435 -0.065 20 0 EBADRP COC(=O)CN1CCC[C@@H](CNC(=O)COC2CC[NH2+]CC2)C1 ZINC000570041271 377199573 /nfs/dbraw/zinc/19/95/73/377199573.db2.gz QMSDZYKOFWJHHJ-ZDUSSCGKSA-N 2 0 327.425 -0.244 20 0 EBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)C1 ZINC000642978844 377436939 /nfs/dbraw/zinc/43/69/39/377436939.db2.gz YRRWAKGEBPCNEE-AWEZNQCLSA-N 2 0 337.468 -0.778 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CC1 ZINC000563012385 377442957 /nfs/dbraw/zinc/44/29/57/377442957.db2.gz VAAREMLXNIGTDE-SQWLQELKSA-N 2 0 326.485 -0.122 20 0 EBADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000643012420 377445101 /nfs/dbraw/zinc/44/51/01/377445101.db2.gz ADSZWVBACIHESN-HNNXBMFYSA-N 2 0 338.452 -0.432 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627367437 377416765 /nfs/dbraw/zinc/41/67/65/377416765.db2.gz UEBLIHKBRYUSPC-ZFWWWQNUSA-N 2 0 340.468 -0.140 20 0 EBADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)c2)CC1 ZINC000580330699 377514433 /nfs/dbraw/zinc/51/44/33/377514433.db2.gz RQKIWBVGPHNCMX-INIZCTEOSA-N 2 0 345.447 -0.149 20 0 EBADRP COC(=O)C1(CS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000601336162 377525973 /nfs/dbraw/zinc/52/59/73/377525973.db2.gz YSDKOAVEGDPUNG-UHFFFAOYSA-N 2 0 335.470 -0.305 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CCSC1 ZINC000595269208 377988218 /nfs/dbraw/zinc/98/82/18/377988218.db2.gz QLYKGJBNTZVCHG-ZOWXZIJZSA-N 2 0 341.481 -0.623 20 0 EBADRP NC(=O)NC(=O)CC[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595910487 378035482 /nfs/dbraw/zinc/03/54/82/378035482.db2.gz ILNYXMISTJIOOH-GFCCVEGCSA-N 2 0 349.439 -0.416 20 0 EBADRP COC(=O)CCN1CCN(C(=O)NCCOCCC[NH3+])[C@@H](C)C1 ZINC000599935100 378284981 /nfs/dbraw/zinc/28/49/81/378284981.db2.gz QRJNUDZMMPVYRB-ZDUSSCGKSA-N 2 0 330.429 -0.369 20 0 EBADRP C[NH2+]CCOCCNC(=O)N1CCN(CCC(=O)OC)C[C@@H]1C ZINC000599934119 378285015 /nfs/dbraw/zinc/28/50/15/378285015.db2.gz DIDKFJBPIUZTOH-ZDUSSCGKSA-N 2 0 330.429 -0.499 20 0 EBADRP CCOC(=O)C1([C@H](C)[NH2+]CCCS(=O)(=O)NC)CC[NH2+]CC1 ZINC000602022043 378331452 /nfs/dbraw/zinc/33/14/52/378331452.db2.gz SHMRBJNBGBKAAM-LBPRGKRZSA-N 2 0 335.470 -0.163 20 0 EBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]([NH3+])CC(=O)OC)CC1 ZINC000602571928 378365007 /nfs/dbraw/zinc/36/50/07/378365007.db2.gz HOKKLXXZHJVJQU-ZDUSSCGKSA-N 2 0 327.425 -0.020 20 0 EBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)Cc3cccc4c3CC[NH2+]C4)CCN2C1=O ZINC000602525948 378361164 /nfs/dbraw/zinc/36/11/64/378361164.db2.gz NJGKUCOENJCFGA-GDBMZVCRSA-N 2 0 328.416 -0.355 20 0 EBADRP CCNC(=O)[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000604162079 378438049 /nfs/dbraw/zinc/43/80/49/378438049.db2.gz YTVDDXAVTQXAKA-CHWSQXEVSA-N 2 0 325.457 -0.021 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCC[NH2+]C2CC2)CC1 ZINC000637329939 378566004 /nfs/dbraw/zinc/56/60/04/378566004.db2.gz QHXMAHMOTIAQGZ-UHFFFAOYSA-N 2 0 325.457 -0.066 20 0 EBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000337619604 378668305 /nfs/dbraw/zinc/66/83/05/378668305.db2.gz AYNOTNMUSUWZJO-CZUORRHYSA-N 2 0 343.472 -0.814 20 0 EBADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCCN2CCOCC2)CC[N@@H+]1C ZINC000339496732 378931486 /nfs/dbraw/zinc/93/14/86/378931486.db2.gz USIKOUWGUKSMAX-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000533981296 378986320 /nfs/dbraw/zinc/98/63/20/378986320.db2.gz MVYZMGUBVUEQRE-MRXNPFEDSA-N 2 0 340.516 -0.443 20 0 EBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCCc3cn4ccccc4n3)CCN2C1=O ZINC000563457256 379028720 /nfs/dbraw/zinc/02/87/20/379028720.db2.gz KWEGYDCVFQDOIX-KGLIPLIRSA-N 2 0 342.403 -0.170 20 0 EBADRP C[C@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)C[NH+]1CCCCC1 ZINC000563551734 379046390 /nfs/dbraw/zinc/04/63/90/379046390.db2.gz UMWWMPSHVXLPOZ-CQSZACIVSA-N 2 0 325.457 -0.161 20 0 EBADRP CCCN(CC[NH+]1CCCC1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563595514 379051062 /nfs/dbraw/zinc/05/10/62/379051062.db2.gz OBVOMBAIMFHBKU-UHFFFAOYSA-N 2 0 325.457 -0.064 20 0 EBADRP CN1CCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)[C@H](C[NH3+])C1 ZINC000563611363 379053311 /nfs/dbraw/zinc/05/33/11/379053311.db2.gz UGHBQEAKFHWXRU-MRXNPFEDSA-N 2 0 347.463 -0.534 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000563648801 379067143 /nfs/dbraw/zinc/06/71/43/379067143.db2.gz QBIFIQZQALJZPI-CQSZACIVSA-N 3 0 327.473 -0.804 20 0 EBADRP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)[NH+](C)C)cc1 ZINC000627287435 379071301 /nfs/dbraw/zinc/07/13/01/379071301.db2.gz VMOOOZXEADNEGD-CVEARBPZSA-N 2 0 348.447 -0.181 20 0 EBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1=O ZINC000452780902 379094271 /nfs/dbraw/zinc/09/42/71/379094271.db2.gz IGWODGVTOWHHSP-GJZGRUSLSA-N 2 0 340.468 -0.641 20 0 EBADRP CC(C)(CNC(=O)C(=O)NCCOCCC[NH3+])[NH+]1CCCCC1 ZINC000627291111 379120725 /nfs/dbraw/zinc/12/07/25/379120725.db2.gz KOLYVFUUJJHGNE-UHFFFAOYSA-N 2 0 328.457 -0.151 20 0 EBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000571325236 379131935 /nfs/dbraw/zinc/13/19/35/379131935.db2.gz BULUWGIKDJZVHR-CYBMUJFWSA-N 2 0 327.425 -0.305 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000618306849 379135579 /nfs/dbraw/zinc/13/55/79/379135579.db2.gz KZKZCLSQWKPCPH-AWEZNQCLSA-N 2 0 328.457 -0.567 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000339980716 379118579 /nfs/dbraw/zinc/11/85/79/379118579.db2.gz LSNCZCJJRVFSJT-LBPRGKRZSA-N 2 0 327.429 -0.684 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000629794208 379137299 /nfs/dbraw/zinc/13/72/99/379137299.db2.gz NVONRMTXNJSLOW-UHFFFAOYSA-N 2 0 340.468 -0.246 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000629793337 379137504 /nfs/dbraw/zinc/13/75/04/379137504.db2.gz FXEGCQVXCWDZNA-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000629793395 379138608 /nfs/dbraw/zinc/13/86/08/379138608.db2.gz LLIYRJCCLGPYBO-UHFFFAOYSA-N 2 0 342.484 -0.129 20 0 EBADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627293190 379139840 /nfs/dbraw/zinc/13/98/40/379139840.db2.gz NIZMGCFQZLLKLN-HOTGVXAUSA-N 2 0 346.431 -0.518 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000629795312 379140952 /nfs/dbraw/zinc/14/09/52/379140952.db2.gz JAORTVZCIHBIOQ-OAHLLOKOSA-N 2 0 340.468 -0.103 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C[NH2+]1 ZINC000627296832 379142522 /nfs/dbraw/zinc/14/25/22/379142522.db2.gz URXXAOGDAUXWMB-KFWWJZLASA-N 2 0 340.468 -0.140 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000627296872 379142921 /nfs/dbraw/zinc/14/29/21/379142921.db2.gz VSSTZVALRJGMIJ-MELADBBJSA-N 2 0 326.441 -0.530 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000629801118 379144851 /nfs/dbraw/zinc/14/48/51/379144851.db2.gz BQSDPGUDSPVZFU-OAHLLOKOSA-N 2 0 340.468 -0.390 20 0 EBADRP CC[NH+]1CCC(CNC(=O)C(=O)N(C)CCOCC[NH2+]C)CC1 ZINC000627302851 379234144 /nfs/dbraw/zinc/23/41/44/379234144.db2.gz ZDTRDKHKDRGCOM-UHFFFAOYSA-N 2 0 328.457 -0.471 20 0 EBADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)NC[C@H]1CN(C2CC2)CCO1 ZINC000458795266 379234753 /nfs/dbraw/zinc/23/47/53/379234753.db2.gz MTKKLFNOHMSEST-HOTGVXAUSA-N 2 0 340.468 -0.004 20 0 EBADRP O=C(NCC[NH+]1CCCOCC1)NC[C@H]1CCC[N@H+]1CCCO ZINC000458838363 379238080 /nfs/dbraw/zinc/23/80/80/379238080.db2.gz HPOUVCPTKOSYKF-OAHLLOKOSA-N 2 0 328.457 -0.145 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000627301911 379228795 /nfs/dbraw/zinc/22/87/95/379228795.db2.gz SDHQDTBCAQBTHT-RHSMWYFYSA-N 2 0 342.484 -0.035 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627333075 379345719 /nfs/dbraw/zinc/34/57/19/379345719.db2.gz STBWLYLBSBOAOT-KBPBESRZSA-N 2 0 326.441 -0.672 20 0 EBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627311861 379304273 /nfs/dbraw/zinc/30/42/73/379304273.db2.gz JHGRTPJFEGFBBQ-MGPQQGTHSA-N 2 0 326.441 -0.672 20 0 EBADRP C[NH+](C)CCOCCNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000471632566 379376468 /nfs/dbraw/zinc/37/64/68/379376468.db2.gz BSKLMEIMRDYCPV-UHFFFAOYSA-N 2 0 329.489 -0.110 20 0 EBADRP CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627341032 379383214 /nfs/dbraw/zinc/38/32/14/379383214.db2.gz XPEFJPPAEGKJQN-CQSZACIVSA-N 2 0 326.441 -0.528 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000627334505 379352197 /nfs/dbraw/zinc/35/21/97/379352197.db2.gz SOKKSUMPXZWNDJ-UONOGXRCSA-N 2 0 339.484 -0.615 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CCSC1 ZINC000621842899 379366788 /nfs/dbraw/zinc/36/67/88/379366788.db2.gz BALKNQBNOKPNHN-UHOFOFEASA-N 2 0 340.493 -0.120 20 0 EBADRP CCN1CCO[C@@H](C(=O)N2CC[C@H](OCCN3CCOCC3)C2)C1 ZINC000479020086 379439778 /nfs/dbraw/zinc/43/97/78/379439778.db2.gz RCPSCUBTOZHLMO-JKSUJKDBSA-N 2 0 341.452 -0.343 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000642644434 379552181 /nfs/dbraw/zinc/55/21/81/379552181.db2.gz FWKCQUCXBLYNOU-QLFBSQMISA-N 2 0 340.468 -0.202 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000642644432 379551249 /nfs/dbraw/zinc/55/12/49/379551249.db2.gz FWKCQUCXBLYNOU-ILXRZTDVSA-N 2 0 340.468 -0.202 20 0 EBADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCOCCC[NH3+] ZINC000627394491 379581488 /nfs/dbraw/zinc/58/14/88/379581488.db2.gz IKEWOYQEGGVPND-ZDUSSCGKSA-N 2 0 328.457 -0.295 20 0 EBADRP [NH3+]C1(CNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CCOCC1 ZINC000627452247 379603299 /nfs/dbraw/zinc/60/32/99/379603299.db2.gz FWVVWNGCISEAEJ-AWEZNQCLSA-N 2 0 338.452 -0.445 20 0 EBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627423833 379590329 /nfs/dbraw/zinc/59/03/29/379590329.db2.gz XRWKRZAEXLEFIS-UHFFFAOYSA-N 2 0 328.457 -0.295 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000627425104 379593357 /nfs/dbraw/zinc/59/33/57/379593357.db2.gz FDFFHEQXXSVBFD-UONOGXRCSA-N 2 0 326.441 -0.528 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000627425105 379593386 /nfs/dbraw/zinc/59/33/86/379593386.db2.gz FDFFHEQXXSVBFD-ZIAGYGMSSA-N 2 0 326.441 -0.528 20 0 EBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000627363689 379565479 /nfs/dbraw/zinc/56/54/79/379565479.db2.gz UOBDFIZEFXMXRK-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627361049 379566389 /nfs/dbraw/zinc/56/63/89/379566389.db2.gz DLABZCXGJKTCKK-CALCHBBNSA-N 2 0 340.468 -0.471 20 0 EBADRP CC(C)(CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)C[NH+]1CCCC1 ZINC000627382411 379573835 /nfs/dbraw/zinc/57/38/35/379573835.db2.gz XSOKCMCOPCAYOZ-CYBMUJFWSA-N 2 0 326.441 -0.671 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000627380754 379574088 /nfs/dbraw/zinc/57/40/88/379574088.db2.gz XTKPKKLAAISDCD-AWEZNQCLSA-N 2 0 326.441 -0.719 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000627485734 379634987 /nfs/dbraw/zinc/63/49/87/379634987.db2.gz JIFONYQDGKQVNS-UHFFFAOYSA-N 2 0 340.468 -0.055 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCOCCC[NH3+])C[C@@H]1C ZINC000627487585 379635839 /nfs/dbraw/zinc/63/58/39/379635839.db2.gz GZDDIKNBOLLDJF-KBPBESRZSA-N 2 0 328.457 -0.201 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000627499885 379644135 /nfs/dbraw/zinc/64/41/35/379644135.db2.gz DUHXQCIBLOHDHU-SOUVJXGZSA-N 2 0 338.452 -0.576 20 0 EBADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627454049 379605486 /nfs/dbraw/zinc/60/54/86/379605486.db2.gz FTOWOIJUXAEHQL-AWEZNQCLSA-N 2 0 340.468 -0.295 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000627457686 379608281 /nfs/dbraw/zinc/60/82/81/379608281.db2.gz GBLMPTTZHPOTKR-APIJFGDWSA-N 2 0 340.468 -0.141 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000627463255 379612594 /nfs/dbraw/zinc/61/25/94/379612594.db2.gz RQALSAQYFQMRQC-UHFFFAOYSA-N 2 0 342.484 -0.081 20 0 EBADRP C[NH+](C)CCC1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627471971 379620624 /nfs/dbraw/zinc/62/06/24/379620624.db2.gz CPTGUZDOANVKJH-AWEZNQCLSA-N 2 0 326.441 -0.719 20 0 EBADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627473309 379622540 /nfs/dbraw/zinc/62/25/40/379622540.db2.gz LBIUJBNNGSZAQM-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627474968 379624365 /nfs/dbraw/zinc/62/43/65/379624365.db2.gz CIUYHPMXTFLYEF-GJZGRUSLSA-N 2 0 338.452 -0.719 20 0 EBADRP CC[NH2+]CCCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627064204 379790727 /nfs/dbraw/zinc/79/07/27/379790727.db2.gz WLUORWQJLITWHS-UHFFFAOYSA-N 2 0 326.445 -0.662 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CCO1 ZINC000631953816 379792234 /nfs/dbraw/zinc/79/22/34/379792234.db2.gz SRHNINFXCJTNMI-KGLIPLIRSA-N 2 0 335.470 -0.653 20 0 EBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000631958383 379793308 /nfs/dbraw/zinc/79/33/08/379793308.db2.gz RHNCEAYQEPYWBJ-HUUCEWRRSA-N 2 0 347.481 -0.605 20 0 EBADRP [NH3+]C[C@H]1Cc2ccccc2N(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631996351 379799071 /nfs/dbraw/zinc/79/90/71/379799071.db2.gz AOBMMMQUOJBLIA-OCCSQVGLSA-N 2 0 325.434 -0.058 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CCO1 ZINC000642298207 379799485 /nfs/dbraw/zinc/79/94/85/379799485.db2.gz QPABFJKIVVACBR-UONOGXRCSA-N 2 0 326.441 -0.447 20 0 EBADRP CCCC[C@@H](C[NH3+])NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627080674 379799624 /nfs/dbraw/zinc/79/96/24/379799624.db2.gz RTWCVWRWRMWCAJ-AWEZNQCLSA-N 2 0 340.472 -0.144 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000631839955 379761965 /nfs/dbraw/zinc/76/19/65/379761965.db2.gz NHYMZTREWLUXGL-BZUAXINKSA-N 2 0 326.485 -0.014 20 0 EBADRP C[NH+](C)CCCS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000631902379 379770167 /nfs/dbraw/zinc/77/01/67/379770167.db2.gz XUOBVEVJTHSLLO-CQSZACIVSA-N 2 0 346.497 -0.588 20 0 EBADRP C[NH2+]CCOCCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000627002281 379775694 /nfs/dbraw/zinc/77/56/94/379775694.db2.gz PGYZAMSIOANHNB-LSDHHAIUSA-N 2 0 328.457 -0.101 20 0 EBADRP CC[NH+](CC)CCN(CCOC)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631917461 379776005 /nfs/dbraw/zinc/77/60/05/379776005.db2.gz KQZFZUOVODTGPR-AWEZNQCLSA-N 2 0 337.486 -0.405 20 0 EBADRP C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631924965 379781496 /nfs/dbraw/zinc/78/14/96/379781496.db2.gz JNWMHUWAYXAPQE-CABCVRRESA-N 2 0 331.482 -0.032 20 0 EBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000631924901 379781642 /nfs/dbraw/zinc/78/16/42/379781642.db2.gz HOYQAIDCKPWYBQ-UHFFFAOYSA-N 2 0 347.529 -0.469 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631924705 379781649 /nfs/dbraw/zinc/78/16/49/379781649.db2.gz CACTVROTUOPZJH-HUUCEWRRSA-N 2 0 349.497 -0.263 20 0 EBADRP C[N@@H+]1CCN(CCNC(=O)NC2(C[NH3+])CCOCC2)CC1(C)C ZINC000627028128 379782181 /nfs/dbraw/zinc/78/21/81/379782181.db2.gz FWUVPHCJOCSXJB-UHFFFAOYSA-N 2 0 327.473 -0.181 20 0 EBADRP [NH3+]CCCOCCNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000627218843 379842487 /nfs/dbraw/zinc/84/24/87/379842487.db2.gz JCSSZWNKACSKPT-ZDUSSCGKSA-N 2 0 329.445 -0.619 20 0 EBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCCOCCC[NH3+])C1 ZINC000627484589 379857572 /nfs/dbraw/zinc/85/75/72/379857572.db2.gz BKFUUMLXVQHAGE-UONOGXRCSA-N 2 0 326.441 -0.589 20 0 EBADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC1([NH3+])CCOCC1 ZINC000627150391 379816103 /nfs/dbraw/zinc/81/61/03/379816103.db2.gz IODGJZBDUFVGEQ-CYBMUJFWSA-N 2 0 328.457 -0.019 20 0 EBADRP C[NH+](C)CCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000632112862 379816769 /nfs/dbraw/zinc/81/67/69/379816769.db2.gz LIAPDFSYPJDVFW-AWEZNQCLSA-N 2 0 346.497 -0.494 20 0 EBADRP CC(C)[NH+](C)CC(=O)NC1(CNC(=O)C[N@@H+](C)C(C)C)COC1 ZINC000633917346 379979159 /nfs/dbraw/zinc/97/91/59/379979159.db2.gz VNIOEKHMXSAMSX-UHFFFAOYSA-N 2 0 328.457 -0.332 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633088533 379932232 /nfs/dbraw/zinc/93/22/32/379932232.db2.gz HGXYXHRFNQOIMY-AWEZNQCLSA-N 2 0 328.457 -0.247 20 0 EBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000633115514 379944221 /nfs/dbraw/zinc/94/42/21/379944221.db2.gz LFAAFUAWTCJWLP-UONOGXRCSA-N 2 0 339.484 -0.581 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000627485825 380089171 /nfs/dbraw/zinc/08/91/71/380089171.db2.gz LPCCRHFNVUSDDT-HNNXBMFYSA-N 2 0 340.468 -0.055 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000354667408 380075630 /nfs/dbraw/zinc/07/56/30/380075630.db2.gz WTEFQDQBKIWSBM-CYBMUJFWSA-N 2 0 326.441 -0.576 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+]C(C)(C)C(=O)N(C)C)C1 ZINC000074286264 380099158 /nfs/dbraw/zinc/09/91/58/380099158.db2.gz GUMVHBBTLLMPOL-AWEZNQCLSA-N 2 0 342.484 -0.084 20 0 EBADRP C[N@@H+]1CC[C@](O)(CNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000545879425 380099427 /nfs/dbraw/zinc/09/94/27/380099427.db2.gz ICCBZMHZBWMREV-ROUUACIJSA-N 2 0 333.432 -0.194 20 0 EBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000638096825 380128255 /nfs/dbraw/zinc/12/82/55/380128255.db2.gz NELQXVWCZBIBQT-GRDNDAEWSA-N 2 0 340.468 -0.188 20 0 EBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000638097556 380130274 /nfs/dbraw/zinc/13/02/74/380130274.db2.gz FYOIFUHKPHCHIZ-WMLDXEAASA-N 2 0 338.452 -0.480 20 0 EBADRP [NH3+]C[C@]1(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CCCOC1 ZINC000638116490 380165047 /nfs/dbraw/zinc/16/50/47/380165047.db2.gz DOUGFBXVYPUBSH-DOTOQJQBSA-N 2 0 340.468 -0.735 20 0 EBADRP C[C@]1(CO)C[C@H](O)C[NH+]1CC1(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)CCC1 ZINC000639847563 380222834 /nfs/dbraw/zinc/22/28/34/380222834.db2.gz CGHGMQVHGJYUIF-LUKYLMHMSA-N 2 0 342.480 -0.208 20 0 EBADRP C[C@]1(CO)C[C@H](O)C[NH+]1CC1(C[N@H+]2C[C@H](O)C[C@@]2(C)CO)CCC1 ZINC000639847571 380223194 /nfs/dbraw/zinc/22/31/94/380223194.db2.gz CGHGMQVHGJYUIF-ZYGGUILKSA-N 2 0 342.480 -0.208 20 0 EBADRP C[C@@]1(CO)C[C@H](O)C[N@@H+]1CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000639853738 380226736 /nfs/dbraw/zinc/22/67/36/380226736.db2.gz LRVWXESDSOOWHW-YOEHRIQHSA-N 2 0 337.420 -0.259 20 0 EBADRP [NH3+]Cc1cc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)ccn1 ZINC000361627791 380328226 /nfs/dbraw/zinc/32/82/26/380328226.db2.gz PQKYSUCHVRDUTL-UHFFFAOYSA-N 2 0 331.420 -0.080 20 0 EBADRP CC[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)[C@@H](CC)[NH+](C)C)[NH+](C)C ZINC000615216513 380296021 /nfs/dbraw/zinc/29/60/21/380296021.db2.gz YWHHZPAPJNVYMJ-MGPQQGTHSA-N 2 0 330.473 -0.398 20 0 EBADRP CC[NH+](C)CCNC(=O)[C@@H]1CC[C@@H](C(=O)NCC[N@@H+](C)CC)O1 ZINC000249548652 380302949 /nfs/dbraw/zinc/30/29/49/380302949.db2.gz HCHITGZLZNCSSP-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP COCCOCC[N@H+](C)CCC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000638240288 380305446 /nfs/dbraw/zinc/30/54/46/380305446.db2.gz IKRMRWGIJXCXTI-MRXNPFEDSA-N 2 0 342.484 -0.523 20 0 EBADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000564552740 380374841 /nfs/dbraw/zinc/37/48/41/380374841.db2.gz JVMLFZBPEGVOJA-OAHLLOKOSA-N 2 0 341.500 -0.284 20 0 EBADRP CNC(=O)c1cccc(CC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000564650521 380376233 /nfs/dbraw/zinc/37/62/33/380376233.db2.gz BHMWCWVUVIKBSC-KRWDZBQOSA-N 2 0 334.464 -0.213 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000340265464 380386053 /nfs/dbraw/zinc/38/60/53/380386053.db2.gz XIUCLSSCKJBNKJ-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP COC[C@@]1(CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)CCC[NH2+]1 ZINC000565883348 380437284 /nfs/dbraw/zinc/43/72/84/380437284.db2.gz SPJWTCHFKVFJPE-INIZCTEOSA-N 2 0 328.457 -0.147 20 0 EBADRP CN1CCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)[C@@H](C[NH3+])C1 ZINC000566058805 380444113 /nfs/dbraw/zinc/44/41/13/380444113.db2.gz WUIXQTNAEXGAOW-AWEZNQCLSA-N 2 0 325.457 -0.922 20 0 EBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000566151333 380449781 /nfs/dbraw/zinc/44/97/81/380449781.db2.gz XULXLNCURUKPTG-AWEZNQCLSA-N 2 0 334.424 -0.689 20 0 EBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362567531 380412258 /nfs/dbraw/zinc/41/22/58/380412258.db2.gz INXRBPZGYQXCLW-CHWSQXEVSA-N 2 0 348.451 -0.196 20 0 EBADRP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638484520 380484543 /nfs/dbraw/zinc/48/45/43/380484543.db2.gz YOAVCNYHBAHPMS-CQSZACIVSA-N 2 0 337.468 -0.066 20 0 EBADRP CN1CCN(C(=O)CC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000638553774 380510462 /nfs/dbraw/zinc/51/04/62/380510462.db2.gz USHXTDZVQFZLKR-UHFFFAOYSA-N 2 0 326.485 -0.025 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340482308 380511945 /nfs/dbraw/zinc/51/19/45/380511945.db2.gz FPPROKSYLVYYMF-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000340482304 380512719 /nfs/dbraw/zinc/51/27/19/380512719.db2.gz FMOVCEKXMQLQSB-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[C@H]1C(F)(F)F ZINC000638560365 380514089 /nfs/dbraw/zinc/51/40/89/380514089.db2.gz TUCGVEIALMILMB-MXWKQRLJSA-N 2 0 336.358 -0.160 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000566378967 380468047 /nfs/dbraw/zinc/46/80/47/380468047.db2.gz HBBPOZHMCXSERS-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@H]1C[NH+]2CCN1CCC2 ZINC000638423730 380468038 /nfs/dbraw/zinc/46/80/38/380468038.db2.gz ANOFLLDGTHGJAX-ZWKOTPCHSA-N 2 0 345.491 -0.048 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000340356784 380472026 /nfs/dbraw/zinc/47/20/26/380472026.db2.gz YIUGXYKHWBDLDK-OAHLLOKOSA-N 2 0 340.468 -0.185 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638480284 380482884 /nfs/dbraw/zinc/48/28/84/380482884.db2.gz KETCQMCPRAQEFM-UHFFFAOYSA-N 2 0 346.435 -0.069 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000567589950 380527257 /nfs/dbraw/zinc/52/72/57/380527257.db2.gz KPKDIUSCDNWOCO-HNNXBMFYSA-N 2 0 327.473 -0.818 20 0 EBADRP COC(=O)C[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000567784896 380542966 /nfs/dbraw/zinc/54/29/66/380542966.db2.gz CDRGVSSFUXKHBW-HNNXBMFYSA-N 3 0 349.435 -0.400 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)n1 ZINC000568190900 380580772 /nfs/dbraw/zinc/58/07/72/380580772.db2.gz SLUUKKMKXJPPCO-CQSZACIVSA-N 2 0 336.440 -0.486 20 0 EBADRP COC[C@]1(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC[NH2+]C1 ZINC000569233563 380635037 /nfs/dbraw/zinc/63/50/37/380635037.db2.gz JGTQKROZFNKHBV-BBRMVZONSA-N 2 0 326.441 -0.684 20 0 EBADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@H](O)CN1CCOCC1 ZINC000371299543 380644437 /nfs/dbraw/zinc/64/44/37/380644437.db2.gz ICDUDYMJZQCQFI-VQHPVUNQSA-N 2 0 327.469 -0.137 20 0 EBADRP CN(CC[N@H+](C)C[C@H](O)CN1CCOCC1)C1CC[NH+](C)CC1 ZINC000119316408 380609427 /nfs/dbraw/zinc/60/94/27/380609427.db2.gz SCYHBSIFOGEZJJ-KRWDZBQOSA-N 2 0 328.501 -0.363 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000371341521 380647052 /nfs/dbraw/zinc/64/70/52/380647052.db2.gz OWSAKIMYASZYHL-INIZCTEOSA-N 2 0 349.479 -0.857 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000573570029 380678348 /nfs/dbraw/zinc/67/83/48/380678348.db2.gz PTSGNDCOSPVUOX-QLFBSQMISA-N 2 0 338.452 -0.530 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000573687176 380683537 /nfs/dbraw/zinc/68/35/37/380683537.db2.gz JYCKMIOKBGERLG-LSDHHAIUSA-N 3 0 339.484 -0.899 20 0 EBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCNC[C@@H]1c1cccnc1 ZINC000573801037 380686684 /nfs/dbraw/zinc/68/66/84/380686684.db2.gz NUOAQLDMCGNZHP-HUUCEWRRSA-N 2 0 331.420 -0.187 20 0 EBADRP O=C(NCCC[NH2+]C1CC1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418283710 380696582 /nfs/dbraw/zinc/69/65/82/380696582.db2.gz AMULXXAYLWFCNF-AWEZNQCLSA-N 2 0 337.468 -0.018 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccnc(-n3cccn3)c2)CC1 ZINC000574270641 380706602 /nfs/dbraw/zinc/70/66/02/380706602.db2.gz GAYVJWISKCYNBI-MRXNPFEDSA-N 2 0 330.436 -0.035 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000575984459 380752940 /nfs/dbraw/zinc/75/29/40/380752940.db2.gz VLEUSCCMPQCUGD-UONOGXRCSA-N 2 0 336.440 -0.129 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)[NH+](C)C1CC1 ZINC000341544308 380716435 /nfs/dbraw/zinc/71/64/35/380716435.db2.gz HJYGBUKTGYNSBU-DZGCQCFKSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000574813124 380724185 /nfs/dbraw/zinc/72/41/85/380724185.db2.gz QSPKGJZIHXFYAZ-KGLIPLIRSA-N 2 0 340.468 -0.010 20 0 EBADRP COC[C@@H](C)NC(=O)NC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000575046784 380726872 /nfs/dbraw/zinc/72/68/72/380726872.db2.gz BNWYILOERNEQJV-KYOSRNDESA-N 2 0 342.440 -0.325 20 0 EBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)C[NH2+]C[C@@H]3CCCO3)CC2)C1=O ZINC000638855548 380773011 /nfs/dbraw/zinc/77/30/11/380773011.db2.gz DQGXSSNEGVWQIA-GJZGRUSLSA-N 2 0 338.452 -0.434 20 0 EBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000627409430 380773123 /nfs/dbraw/zinc/77/31/23/380773123.db2.gz CINYBPUPFDKOPQ-AWEZNQCLSA-N 2 0 340.468 -0.199 20 0 EBADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000576492926 380773197 /nfs/dbraw/zinc/77/31/97/380773197.db2.gz VPEHBYDNCLVOCK-HNNXBMFYSA-N 2 0 337.468 -0.162 20 0 EBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)C1=O ZINC000638855364 380773665 /nfs/dbraw/zinc/77/36/65/380773665.db2.gz BZPUGPNPIUHNAR-QEORTHHSSA-N 2 0 336.436 -0.966 20 0 EBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@]3(C[NH3+])CCCOC3)CC2)C1=O ZINC000638856681 380775082 /nfs/dbraw/zinc/77/50/82/380775082.db2.gz RDSWYKDETLQRBZ-RHSMWYFYSA-N 2 0 338.452 -0.447 20 0 EBADRP C[C@@H]1C[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@@H](C)O1 ZINC000580639200 380806409 /nfs/dbraw/zinc/80/64/09/380806409.db2.gz BBTLTOSIKGLRPE-KFWWJZLASA-N 2 0 342.484 -0.132 20 0 EBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000580645103 380806458 /nfs/dbraw/zinc/80/64/58/380806458.db2.gz SYTPVHQXNMNFTR-LSDHHAIUSA-N 2 0 340.468 -0.546 20 0 EBADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C[C@H](C)[N@H+]1CCO ZINC000375745293 380868182 /nfs/dbraw/zinc/86/81/82/380868182.db2.gz QGNMDLFFRQBAND-QKPAOTATSA-N 2 0 340.468 -0.054 20 0 EBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000577849051 380846937 /nfs/dbraw/zinc/84/69/37/380846937.db2.gz UJZUDUQTHHONOQ-NRXISQOPSA-N 2 0 337.468 -0.813 20 0 EBADRP C[C@@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)N1CCNCC1=O ZINC000638986205 380854862 /nfs/dbraw/zinc/85/48/62/380854862.db2.gz WSMHFTFYJXIDNB-LBPRGKRZSA-N 2 0 332.408 -0.750 20 0 EBADRP O=C(CCN1C(=O)CCC1=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987672 380854939 /nfs/dbraw/zinc/85/49/39/380854939.db2.gz WDYHXRNSTQPWPY-UHFFFAOYSA-N 2 0 331.376 -0.031 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000375968306 380883950 /nfs/dbraw/zinc/88/39/50/380883950.db2.gz IMIIJCZBHIHUOX-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP CC[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC[N@@H+]1CCOC ZINC000580704534 380897285 /nfs/dbraw/zinc/89/72/85/380897285.db2.gz JEBURLFZVUBAEF-HUUCEWRRSA-N 2 0 327.473 -0.358 20 0 EBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)c1 ZINC000377394292 380970324 /nfs/dbraw/zinc/97/03/24/380970324.db2.gz WRCMAZLUDGVHNP-HIFRSBDPSA-N 2 0 338.433 -0.138 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[C@@H]1CCO ZINC000579175738 380975544 /nfs/dbraw/zinc/97/55/44/380975544.db2.gz ZDHOXXGUJJUTKE-CABCVRRESA-N 2 0 342.484 -0.395 20 0 EBADRP Cn1cc(N2CCC[C@H]([NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)C2)cn1 ZINC000579222679 380977402 /nfs/dbraw/zinc/97/74/02/380977402.db2.gz DCAZMRQMZAFBEQ-DOTOQJQBSA-N 2 0 336.484 -0.413 20 0 EBADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1[nH]nc2c1C[NH2+]CC2 ZINC000376757285 380932780 /nfs/dbraw/zinc/93/27/80/380932780.db2.gz HEZTZOXFTTXAJY-NSHDSACASA-N 2 0 346.357 -0.379 20 0 EBADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000579453906 380990267 /nfs/dbraw/zinc/99/02/67/380990267.db2.gz VZLUEOVYZRRCPL-OAHLLOKOSA-N 2 0 339.484 -0.674 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000579497429 380994303 /nfs/dbraw/zinc/99/43/03/380994303.db2.gz DTBZHFSBVKANAG-RDBSUJKOSA-N 2 0 339.440 -0.949 20 0 EBADRP C[C@H](CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])C[NH+]1CCN(C)CC1 ZINC000582606750 381053479 /nfs/dbraw/zinc/05/34/79/381053479.db2.gz UHMHHPHBTVVNQG-RDBSUJKOSA-N 2 0 327.473 -0.772 20 0 EBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C2)CC1 ZINC000581193644 381060660 /nfs/dbraw/zinc/06/06/60/381060660.db2.gz PCMIFQHCPYQSGR-HOCLYGCPSA-N 2 0 339.484 -0.676 20 0 EBADRP CN(C[C@@H]1CCCCO1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000582771342 381064974 /nfs/dbraw/zinc/06/49/74/381064974.db2.gz JSRWPIFKILLXLK-HNNXBMFYSA-N 2 0 342.484 -0.034 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000581355974 381069837 /nfs/dbraw/zinc/06/98/37/381069837.db2.gz NRUNETJNNWTOBS-SOUVJXGZSA-N 2 0 340.468 -0.833 20 0 EBADRP CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)[C@H](C[NH3+])C1 ZINC000580768544 381034177 /nfs/dbraw/zinc/03/41/77/381034177.db2.gz RTPTYSRGAGBXPR-RBSFLKMASA-N 2 0 337.468 -0.970 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC(=O)N2CCc3ccccc32)CC1 ZINC000581543418 381082909 /nfs/dbraw/zinc/08/29/09/381082909.db2.gz FPULOTAFRQTQOF-MRXNPFEDSA-N 2 0 332.448 -0.226 20 0 EBADRP O=C(NCC[N@@H+]1CCCOCC1)NCC1(N2CCOCC2)CC1 ZINC000583062304 381096953 /nfs/dbraw/zinc/09/69/53/381096953.db2.gz YJDXBFLNDNVQDB-UHFFFAOYSA-N 2 0 326.441 -0.127 20 0 EBADRP CC[NH+]1CCC(NC(=O)C[NH+]2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)CC1 ZINC000639949636 381155543 /nfs/dbraw/zinc/15/55/43/381155543.db2.gz LUHGDCMOKHQUPB-IRXDYDNUSA-N 2 0 336.436 -0.429 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000347063246 381163683 /nfs/dbraw/zinc/16/36/83/381163683.db2.gz DKSPXTGTZBBMAX-LSDHHAIUSA-N 2 0 327.473 -0.358 20 0 EBADRP C[C@@H]1CN(CCC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000583748374 381132587 /nfs/dbraw/zinc/13/25/87/381132587.db2.gz ZTYFPLKGQTZUSI-ZACQAIPSSA-N 2 0 328.501 -0.316 20 0 EBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000583763110 381135708 /nfs/dbraw/zinc/13/57/08/381135708.db2.gz QESKTAOPKXFYFF-HNNXBMFYSA-N 2 0 340.468 -0.423 20 0 EBADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000583861997 381168909 /nfs/dbraw/zinc/16/89/09/381168909.db2.gz KDLSFCIMPCEIFE-RBSFLKMASA-N 2 0 338.452 -0.434 20 0 EBADRP COC[C@@]1(CNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)CCC[NH2+]1 ZINC000418639133 381254020 /nfs/dbraw/zinc/25/40/20/381254020.db2.gz PIIDEJHAJUDPLB-HOCLYGCPSA-N 2 0 328.457 -0.099 20 0 EBADRP COC[C@]1(CNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CCC[NH2+]1 ZINC000418639131 381254568 /nfs/dbraw/zinc/25/45/68/381254568.db2.gz PIIDEJHAJUDPLB-GDBMZVCRSA-N 2 0 328.457 -0.099 20 0 EBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000418759330 381261709 /nfs/dbraw/zinc/26/17/09/381261709.db2.gz JCPLJUVIWDTHDI-MRXNPFEDSA-N 3 0 342.532 -0.195 20 0 EBADRP OC[C@H]1CSCC[NH+]1CCOCC[N@H+]1CCSC[C@@H]1CO ZINC000347494760 381224453 /nfs/dbraw/zinc/22/44/53/381224453.db2.gz XLTFEYLTXFUELM-KBPBESRZSA-N 2 0 336.523 -0.178 20 0 EBADRP COCC[NH2+]CCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000418511834 381244256 /nfs/dbraw/zinc/24/42/56/381244256.db2.gz RZYWQHXQRANNTN-UHFFFAOYSA-N 2 0 341.456 -0.828 20 0 EBADRP Cc1ccc([C@H](CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)[NH+](C)C)cc1 ZINC000418814585 381281547 /nfs/dbraw/zinc/28/15/47/381281547.db2.gz JYKCREANARZYBQ-HOTGVXAUSA-N 2 0 348.447 -0.100 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000418922816 381341827 /nfs/dbraw/zinc/34/18/27/381341827.db2.gz NCDVZJAVYPACPU-ZIAGYGMSSA-N 2 0 326.441 -0.687 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CCCO1 ZINC000418883654 381331133 /nfs/dbraw/zinc/33/11/33/381331133.db2.gz VNYRSVUKGKHELI-GJZGRUSLSA-N 2 0 340.468 -0.057 20 0 EBADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@@H]1c1ccccc1 ZINC000418902000 381336208 /nfs/dbraw/zinc/33/62/08/381336208.db2.gz GHSQSOBTFZGDQN-GJZGRUSLSA-N 2 0 334.420 -0.672 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCCC[NH2+]C2CC2)C1 ZINC000418919860 381339043 /nfs/dbraw/zinc/33/90/43/381339043.db2.gz KONPAVDBPINSJL-OAHLLOKOSA-N 2 0 340.468 -0.282 20 0 EBADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)[C@H]1c1ccccc1 ZINC000418918262 381339568 /nfs/dbraw/zinc/33/95/68/381339568.db2.gz ZIIQQQLCLVFGFL-OWCLPIDISA-N 2 0 346.431 -0.266 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000418917921 381339776 /nfs/dbraw/zinc/33/97/76/381339776.db2.gz IORZTBVGUFTRII-CABCVRRESA-N 2 0 340.468 -0.282 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000418910179 381345088 /nfs/dbraw/zinc/34/50/88/381345088.db2.gz BCQCVFVRWNSWDH-KBPBESRZSA-N 2 0 326.441 -0.672 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000418933298 381345313 /nfs/dbraw/zinc/34/53/13/381345313.db2.gz ZODQGEHWEUXFAP-CABCVRRESA-N 2 0 340.468 -0.425 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000418913406 381346423 /nfs/dbraw/zinc/34/64/23/381346423.db2.gz DVDHQXGJHCQPMR-KBPBESRZSA-N 2 0 326.441 -0.720 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C1 ZINC000418916721 381346998 /nfs/dbraw/zinc/34/69/98/381346998.db2.gz HPDNYMAEHXTFAC-KBPBESRZSA-N 2 0 326.441 -0.591 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000418913407 381348008 /nfs/dbraw/zinc/34/80/08/381348008.db2.gz DVDHQXGJHCQPMR-KGLIPLIRSA-N 2 0 326.441 -0.720 20 0 EBADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000418991093 381349145 /nfs/dbraw/zinc/34/91/45/381349145.db2.gz DKQRWCNSDWEZKJ-AWEZNQCLSA-N 2 0 326.441 -0.589 20 0 EBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419033201 381358093 /nfs/dbraw/zinc/35/80/93/381358093.db2.gz YDXOKIVXZNWOKA-MCIONIFRSA-N 2 0 326.441 -0.591 20 0 EBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419082240 381362744 /nfs/dbraw/zinc/36/27/44/381362744.db2.gz UEELEBOZYKXPSL-UONOGXRCSA-N 2 0 326.441 -0.447 20 0 EBADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC[NH3+] ZINC000419059591 381368934 /nfs/dbraw/zinc/36/89/34/381368934.db2.gz RUENEWAGCBTHIX-HZPDHXFCSA-N 2 0 348.447 -0.285 20 0 EBADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000419192732 381406043 /nfs/dbraw/zinc/40/60/43/381406043.db2.gz YLKCJOQBMMBQPK-CQSZACIVSA-N 2 0 341.500 -0.238 20 0 EBADRP CN(C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000419231532 381407969 /nfs/dbraw/zinc/40/79/69/381407969.db2.gz SBHQDLCUKCXFGB-ILXRZTDVSA-N 2 0 338.452 -0.842 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000419126425 381386340 /nfs/dbraw/zinc/38/63/40/381386340.db2.gz WPJKGRSOLLHWIB-CQSZACIVSA-N 2 0 328.457 -0.281 20 0 EBADRP CCC([NH3+])(CC)CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000419181057 381402056 /nfs/dbraw/zinc/40/20/56/381402056.db2.gz KLPDLHDFLUMHLT-UHFFFAOYSA-N 2 0 341.500 -0.238 20 0 EBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000419415588 381431671 /nfs/dbraw/zinc/43/16/71/381431671.db2.gz VHKWAWBUAPVFHA-KGLIPLIRSA-N 2 0 326.441 -0.589 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000419442873 381439223 /nfs/dbraw/zinc/43/92/23/381439223.db2.gz AOSMRMWLQOPPHG-CQSZACIVSA-N 2 0 342.484 -0.035 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2C[C@@H](C)[NH+](CCO)C[C@@H]2C)C1 ZINC000419463688 381441448 /nfs/dbraw/zinc/44/14/48/381441448.db2.gz NOZIRFPHDPRQMW-ILXRZTDVSA-N 2 0 328.457 -0.196 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)C1CC1 ZINC000419520906 381444338 /nfs/dbraw/zinc/44/43/38/381444338.db2.gz ISLPCJJAOQYWPB-WCQYABFASA-N 2 0 326.441 -0.184 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419533010 381449161 /nfs/dbraw/zinc/44/91/61/381449161.db2.gz IGTOGSIQRSISKF-ZIAGYGMSSA-N 2 0 326.441 -0.528 20 0 EBADRP CO[C@@H]1CCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)[C@H](C[NH3+])C1 ZINC000419691217 381472931 /nfs/dbraw/zinc/47/29/31/381472931.db2.gz DVEIKHZLLHPENZ-LSDHHAIUSA-N 2 0 340.468 -0.058 20 0 EBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419696889 381473493 /nfs/dbraw/zinc/47/34/93/381473493.db2.gz VTMGGVOHLPAAFB-LBPRGKRZSA-N 2 0 328.482 -0.072 20 0 EBADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000419700778 381474891 /nfs/dbraw/zinc/47/48/91/381474891.db2.gz SOQVHDABVLVONN-KKUMJFAQSA-N 2 0 340.468 -0.596 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000419718409 381478287 /nfs/dbraw/zinc/47/82/87/381478287.db2.gz AWMSWYKEBGNUBA-CQSZACIVSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@H](CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[NH+]1CCCCC1 ZINC000419719822 381478893 /nfs/dbraw/zinc/47/88/93/381478893.db2.gz XUXMWTJKIQUQMQ-KGLIPLIRSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@H](CCNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[NH+]1CCCCC1 ZINC000419715474 381479376 /nfs/dbraw/zinc/47/93/76/381479376.db2.gz PEZBOVKEHTZYLW-KGLIPLIRSA-N 2 0 326.441 -0.447 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000419678495 381481139 /nfs/dbraw/zinc/48/11/39/381481139.db2.gz OFDFKHXVNFQUKG-ZIAGYGMSSA-N 2 0 328.457 -0.343 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419681499 381482908 /nfs/dbraw/zinc/48/29/08/381482908.db2.gz RXDJTFJEKJAHHN-QWHCGFSZSA-N 2 0 344.456 -0.700 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000419549480 381452885 /nfs/dbraw/zinc/45/28/85/381452885.db2.gz VSLARDJJQIUOEZ-LSDHHAIUSA-N 2 0 340.468 -0.153 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000419549476 381453100 /nfs/dbraw/zinc/45/31/00/381453100.db2.gz VSLARDJJQIUOEZ-GJZGRUSLSA-N 2 0 340.468 -0.153 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000419550608 381453171 /nfs/dbraw/zinc/45/31/71/381453171.db2.gz WPSOMQZAXUFPOI-HZSPNIEDSA-N 2 0 326.441 -0.578 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000419547909 381453202 /nfs/dbraw/zinc/45/32/02/381453202.db2.gz SINKZOISVVWDGM-MELADBBJSA-N 2 0 326.441 -0.591 20 0 EBADRP CCCN(C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC)[C@H]1CC[NH2+]C1 ZINC000419552208 381453343 /nfs/dbraw/zinc/45/33/43/381453343.db2.gz YKYWRQGKDDGVDR-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419595738 381461653 /nfs/dbraw/zinc/46/16/53/381461653.db2.gz XBQXNGPAAZQJQA-ZIAGYGMSSA-N 2 0 326.441 -0.447 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000419672932 381468644 /nfs/dbraw/zinc/46/86/44/381468644.db2.gz GVOIJRNOWXZBPZ-KGLIPLIRSA-N 2 0 328.457 -0.201 20 0 EBADRP O=C(NCCCN1CC[NH2+]CC1)C(=O)NCCC[NH+]1CCCCC1 ZINC000419868551 381512529 /nfs/dbraw/zinc/51/25/29/381512529.db2.gz LZUYCNKIGRLVMZ-UHFFFAOYSA-N 2 0 339.484 -0.610 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419865726 381512599 /nfs/dbraw/zinc/51/25/99/381512599.db2.gz UBUXERKRDJHWDR-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH2+]CCNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000419870221 381514851 /nfs/dbraw/zinc/51/48/51/381514851.db2.gz JHEILWYRZJWWES-UHFFFAOYSA-N 2 0 340.468 -0.327 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000419770601 381488688 /nfs/dbraw/zinc/48/86/88/381488688.db2.gz FUOQIPXGEILAEV-CYBMUJFWSA-N 2 0 328.457 -0.425 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000419779703 381491175 /nfs/dbraw/zinc/49/11/75/381491175.db2.gz PPCZYLUPABYBQX-MJBXVCDLSA-N 2 0 326.441 -0.733 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000349890311 381491243 /nfs/dbraw/zinc/49/12/43/381491243.db2.gz DAOMLDBCMXAFMZ-CABCVRRESA-N 2 0 327.473 -0.358 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000419735349 381491726 /nfs/dbraw/zinc/49/17/26/381491726.db2.gz WCPHKPVHGOQXEK-HUUCEWRRSA-N 2 0 334.420 -0.361 20 0 EBADRP CC(C)[NH+](CCNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)C(C)C ZINC000419799175 381494519 /nfs/dbraw/zinc/49/45/19/381494519.db2.gz ZSUQQMIDXSNDTI-AWEZNQCLSA-N 2 0 328.457 -0.202 20 0 EBADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419782060 381495022 /nfs/dbraw/zinc/49/50/22/381495022.db2.gz STERVWBTAZPBJB-STQMWFEESA-N 2 0 326.441 -0.672 20 0 EBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000419811723 381497010 /nfs/dbraw/zinc/49/70/10/381497010.db2.gz MIKDDLHDZAYBIH-GJZGRUSLSA-N 2 0 334.420 -0.490 20 0 EBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000419807129 381497239 /nfs/dbraw/zinc/49/72/39/381497239.db2.gz IISOVGXAOPFBGK-HOTGVXAUSA-N 2 0 348.447 -0.018 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000419814305 381497437 /nfs/dbraw/zinc/49/74/37/381497437.db2.gz HGOYOMDFBRVPAQ-ILXRZTDVSA-N 2 0 339.484 -0.805 20 0 EBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NCCC[NH3+])CC2)CC1 ZINC000419832373 381500365 /nfs/dbraw/zinc/50/03/65/381500365.db2.gz NUBVDRZPKVHOJG-UHFFFAOYSA-N 2 0 339.484 -0.532 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000419837268 381501536 /nfs/dbraw/zinc/50/15/36/381501536.db2.gz WLEAJOAQFZRMBM-HUUCEWRRSA-N 2 0 339.484 -0.804 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000419836852 381501929 /nfs/dbraw/zinc/50/19/29/381501929.db2.gz CIYQMIQVPCOIQF-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000420115578 381542311 /nfs/dbraw/zinc/54/23/11/381542311.db2.gz KKMVQAFUKKNCEV-KBPBESRZSA-N 2 0 328.457 -0.425 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000420115576 381542986 /nfs/dbraw/zinc/54/29/86/381542986.db2.gz KJVZZBATMZDNJN-LSDHHAIUSA-N 2 0 342.484 -0.083 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C[C@H](C)O1 ZINC000420144640 381544624 /nfs/dbraw/zinc/54/46/24/381544624.db2.gz NLUMBWKJHVVBDO-APIJFGDWSA-N 2 0 340.468 -0.284 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000420028589 381532034 /nfs/dbraw/zinc/53/20/34/381532034.db2.gz DWQQDGLZUDYDCS-QWHCGFSZSA-N 2 0 326.441 -0.230 20 0 EBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000420031333 381532180 /nfs/dbraw/zinc/53/21/80/381532180.db2.gz RRIBFJRNMTUREJ-SOUVJXGZSA-N 2 0 339.484 -0.533 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000420031062 381533094 /nfs/dbraw/zinc/53/30/94/381533094.db2.gz GYQUETDZOBROCN-AAEUAGOBSA-N 2 0 326.441 -0.232 20 0 EBADRP C[C@@H]1CC[C@H](C(N)=O)C[NH+]1CC(O)C[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000245912622 381573108 /nfs/dbraw/zinc/57/31/08/381573108.db2.gz FYQKXTPEBJJCHD-MQYQWHSLSA-N 2 0 340.468 -0.481 20 0 EBADRP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420304736 381579797 /nfs/dbraw/zinc/57/97/97/381579797.db2.gz FOVOSOXXWFYAFO-WDEREUQCSA-N 2 0 337.424 -0.702 20 0 EBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420184200 381564704 /nfs/dbraw/zinc/56/47/04/381564704.db2.gz IBUUZAJFSOWLQD-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420172490 381571852 /nfs/dbraw/zinc/57/18/52/381571852.db2.gz VQAYTDMABSZIJN-CQSZACIVSA-N 2 0 342.484 -0.083 20 0 EBADRP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420421252 381586073 /nfs/dbraw/zinc/58/60/73/381586073.db2.gz YPFAHVSYTFDRHW-VWYCJHECSA-N 2 0 337.424 -0.846 20 0 EBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000643484246 381614244 /nfs/dbraw/zinc/61/42/44/381614244.db2.gz LLBIOIMNMBTUQS-OAHLLOKOSA-N 2 0 337.468 -0.953 20 0 EBADRP NS(=O)(=O)c1ccc(NC(=O)CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000351497878 381630922 /nfs/dbraw/zinc/63/09/22/381630922.db2.gz VEPFBGABZFWISO-LEWSCRJBSA-N 2 0 338.433 -0.058 20 0 EBADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351554011 381641086 /nfs/dbraw/zinc/64/10/86/381641086.db2.gz HBQUIXOVLZAYAB-HIFRSBDPSA-N 2 0 340.468 -0.594 20 0 EBADRP C[N@H+](C[C@H](O)CN1CCC(O)(C[NH+]2CCOCC2)CC1)C1CC1 ZINC000351573312 381645428 /nfs/dbraw/zinc/64/54/28/381645428.db2.gz IKPKCEMWCLTLKR-INIZCTEOSA-N 2 0 327.469 -0.399 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000351676599 381662546 /nfs/dbraw/zinc/66/25/46/381662546.db2.gz UTDXPGBNPPOTEL-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[NH+](CC)CCOCCNC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000351894039 381704258 /nfs/dbraw/zinc/70/42/58/381704258.db2.gz YGLWXYKHHDLSTM-HNNXBMFYSA-N 2 0 329.489 -0.110 20 0 EBADRP CN1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000331955406 381733687 /nfs/dbraw/zinc/73/36/87/381733687.db2.gz ABLFXPYRVPELJB-ZNMIVQPWSA-N 2 0 338.452 -0.624 20 0 EBADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000331943823 381733720 /nfs/dbraw/zinc/73/37/20/381733720.db2.gz IQJVENJYPPLPSM-KBPBESRZSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C[C@@H]1[NH3+] ZINC000332143784 381756129 /nfs/dbraw/zinc/75/61/29/381756129.db2.gz OCCOBVCSBHFIMA-NFAWXSAZSA-N 2 0 338.452 -0.496 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000331642102 381719735 /nfs/dbraw/zinc/71/97/35/381719735.db2.gz NGGYJJUXQFFETP-XJFOESAGSA-N 2 0 338.452 -0.089 20 0 EBADRP CN1CCO[C@H](C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)C1 ZINC000081395796 381768186 /nfs/dbraw/zinc/76/81/86/381768186.db2.gz UWQDLOMJBAJOPZ-HNNXBMFYSA-N 2 0 338.452 -0.526 20 0 EBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000332268188 381772210 /nfs/dbraw/zinc/77/22/10/381772210.db2.gz IDPRFASZEJZAPD-OAHLLOKOSA-N 2 0 338.452 -0.493 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000627395086 381801667 /nfs/dbraw/zinc/80/16/67/381801667.db2.gz ZQOVKUOKFFBBNP-CYBMUJFWSA-N 2 0 328.457 -0.343 20 0 EBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612600348 381843395 /nfs/dbraw/zinc/84/33/95/381843395.db2.gz FOYDDOFWLWODMZ-LSDHHAIUSA-N 2 0 338.452 -0.434 20 0 EBADRP O=C(NCC1C[NH2+]C1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612915714 381879512 /nfs/dbraw/zinc/87/95/12/381879512.db2.gz QVYAIOHSNLTZPC-CQSZACIVSA-N 2 0 347.467 -0.072 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)CNC(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000352087458 381870246 /nfs/dbraw/zinc/87/02/46/381870246.db2.gz NLMKPIXCCOKVJC-MRXNPFEDSA-N 2 0 341.500 -0.380 20 0 EBADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000627397139 381926975 /nfs/dbraw/zinc/92/69/75/381926975.db2.gz FMSHYLZTLAWIHG-LSDHHAIUSA-N 2 0 334.420 -0.490 20 0 EBADRP C[NH2+]CCOCCNC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000626929736 381958533 /nfs/dbraw/zinc/95/85/33/381958533.db2.gz QVKBQSSPNVSZMV-HNNXBMFYSA-N 2 0 329.489 -0.206 20 0 EBADRP CC[C@@H]1CN(C(=O)C(=O)N(CCOC)CC[NH+](C)C)CC[C@@H]1[NH3+] ZINC000643511239 381962829 /nfs/dbraw/zinc/96/28/29/381962829.db2.gz ZJJBCANNYKGLRG-KGLIPLIRSA-N 2 0 328.457 -0.391 20 0 EBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000617764412 381971867 /nfs/dbraw/zinc/97/18/67/381971867.db2.gz WAZYQBAJBVFYPQ-KRWDZBQOSA-N 2 0 338.452 -0.401 20 0 EBADRP C[C@@H]1[C@H](NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCC[N@@H+]1C ZINC000418013895 382067291 /nfs/dbraw/zinc/06/72/91/382067291.db2.gz ZZIUZDMHAFNAFF-MGPQQGTHSA-N 2 0 325.457 -0.034 20 0 EBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000643516787 382021684 /nfs/dbraw/zinc/02/16/84/382021684.db2.gz VCADIJJVACKIFX-OAGGEKHMSA-N 2 0 349.479 -0.812 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)cn1 ZINC000444269780 382145630 /nfs/dbraw/zinc/14/56/30/382145630.db2.gz NKBIDMFGZBNKPH-BBRMVZONSA-N 2 0 334.424 -0.501 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000629558992 382223210 /nfs/dbraw/zinc/22/32/10/382223210.db2.gz ORJSRHPCPRZAJX-HZPDHXFCSA-N 2 0 326.485 -0.025 20 0 EBADRP CN1CCN(C(=O)CC[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000330619999 155293666 /nfs/dbraw/zinc/29/36/66/155293666.db2.gz ZUGOBONMLPJNCO-ZIAGYGMSSA-N 2 0 346.497 -0.400 20 0 EBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000331454993 155371884 /nfs/dbraw/zinc/37/18/84/155371884.db2.gz MSJIVGLYINEABZ-ZIAGYGMSSA-N 2 0 338.452 -0.434 20 0 EBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000187935514 154149246 /nfs/dbraw/zinc/14/92/46/154149246.db2.gz NFBOHLWKFYZZNE-JKSUJKDBSA-N 2 0 348.447 -0.029 20 0 EBADRP OC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(C[NH+]2C[C@@H](O)C[C@H]2CO)cc1 ZINC000249293331 154191104 /nfs/dbraw/zinc/19/11/04/154191104.db2.gz LNBQWYASLWMKTL-MHORFTMASA-N 2 0 336.432 -0.458 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCCNC(=O)[C@@H]2C)C1 ZINC000249027918 154191464 /nfs/dbraw/zinc/19/14/64/154191464.db2.gz LDQOQSQKKSEMMC-GJZGRUSLSA-N 2 0 340.468 -0.330 20 0 EBADRP CCN1CCO[C@H](C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000261675752 154195847 /nfs/dbraw/zinc/19/58/47/154195847.db2.gz CGBTVDISTMFJGV-RYUDHWBXSA-N 2 0 338.374 -0.341 20 0 EBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000261709930 154198394 /nfs/dbraw/zinc/19/83/94/154198394.db2.gz PMYRSUUDLRNVGS-OAHLLOKOSA-N 2 0 348.447 -0.032 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CC[C@@H]2CC[NH2+]C2)cn1 ZINC000261885902 154203757 /nfs/dbraw/zinc/20/37/57/154203757.db2.gz SKCDOBGEMRJETN-CYBMUJFWSA-N 2 0 336.440 -0.111 20 0 EBADRP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262106841 154213342 /nfs/dbraw/zinc/21/33/42/154213342.db2.gz VITLOQFUNCGQGM-RYUDHWBXSA-N 2 0 338.374 -0.293 20 0 EBADRP CO[C@H](C[NH3+])CC(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000262865824 154250076 /nfs/dbraw/zinc/25/00/76/154250076.db2.gz LVWYGUQRZUGVEX-JKSUJKDBSA-N 2 0 342.484 -0.396 20 0 EBADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000342698809 156053546 /nfs/dbraw/zinc/05/35/46/156053546.db2.gz HXYHMRHPGWBYJF-TZMCWYRMSA-N 2 0 336.440 -0.113 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCC[NH+](C)C2CC2)CCCO1 ZINC000343308202 156122910 /nfs/dbraw/zinc/12/29/10/156122910.db2.gz KWSJYJCYZHFSSO-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP COC(=O)[C@@H]1CC[NH+](CCOCC[N@H+]2CC[C@H](C(=O)OC)C2)C1 ZINC000343594175 156146388 /nfs/dbraw/zinc/14/63/88/156146388.db2.gz HMDGARLCOPLCSN-OKILXGFUSA-N 2 0 328.409 -0.007 20 0 EBADRP COC(=O)[C@@H]1CC[NH+](CCOCC[N@H+]2CC[C@@H](C(=O)OC)C2)C1 ZINC000343594176 156146768 /nfs/dbraw/zinc/14/67/68/156146768.db2.gz HMDGARLCOPLCSN-ZIAGYGMSSA-N 2 0 328.409 -0.007 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000343897751 156181639 /nfs/dbraw/zinc/18/16/39/156181639.db2.gz YUEVKKIHIRLJAG-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000343922184 156186635 /nfs/dbraw/zinc/18/66/35/156186635.db2.gz UGQHSCUYSOLCLP-ILXRZTDVSA-N 2 0 340.468 -0.188 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000343912528 156186900 /nfs/dbraw/zinc/18/69/00/156186900.db2.gz NJUXPOXKCBOMKX-IHRRRGAJSA-N 2 0 326.441 -0.578 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3CC[NH+](C)C[C@@H]32)C1 ZINC000343909954 156188183 /nfs/dbraw/zinc/18/81/83/156188183.db2.gz LOAVSKWNWBLFGL-ILXRZTDVSA-N 2 0 338.452 -0.624 20 0 EBADRP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000344631218 156249695 /nfs/dbraw/zinc/24/96/95/156249695.db2.gz OYIXWBITCPEGGK-OAHLLOKOSA-N 2 0 340.468 -0.783 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)C(=O)NCC2CC[NH+](CCO)CC2)CCC[N@@H+]1C ZINC000344662251 156253758 /nfs/dbraw/zinc/25/37/58/156253758.db2.gz GPALYPSHWZOGOS-HIFRSBDPSA-N 2 0 340.468 -0.594 20 0 EBADRP Cn1cc(CN(CCC[NH+](C)C)CCC[NH+](C)C)c(=O)n(C)c1=O ZINC000348898581 156627270 /nfs/dbraw/zinc/62/72/70/156627270.db2.gz YBMGUOWNQVBHFH-UHFFFAOYSA-N 2 0 339.484 -0.211 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000355884602 157031473 /nfs/dbraw/zinc/03/14/73/157031473.db2.gz ALROORABGFYTJO-UHFFFAOYSA-N 2 0 328.457 -0.471 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NCCOCC[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000356413667 157064417 /nfs/dbraw/zinc/06/44/17/157064417.db2.gz DZUYCKIBDMGVBJ-HNNXBMFYSA-N 2 0 342.484 -0.083 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000357242196 157130912 /nfs/dbraw/zinc/13/09/12/157130912.db2.gz MDAZEPUHQPNLKB-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000357572702 157155600 /nfs/dbraw/zinc/15/56/00/157155600.db2.gz GGEDPIRJKADVBF-DZGCQCFKSA-N 2 0 340.468 -0.330 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H](C)C1=CC[NH+](C)CC1 ZINC000357572106 157156001 /nfs/dbraw/zinc/15/60/01/157156001.db2.gz FTBSPKORLGVGBB-CQSZACIVSA-N 2 0 340.468 -0.163 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000357572138 157156079 /nfs/dbraw/zinc/15/60/79/157156079.db2.gz FYDZYMRBIKUHAF-OAHLLOKOSA-N 2 0 342.484 -0.129 20 0 EBADRP C[NH+]1CCN(CCOc2ccc(NC(=O)[C@@H]3C[C@H](O)C[NH2+]3)cc2)CC1 ZINC000357917112 157187020 /nfs/dbraw/zinc/18/70/20/157187020.db2.gz IMRLBYZPHXMKLG-RDJZCZTQSA-N 2 0 348.447 -0.026 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000358565629 157260593 /nfs/dbraw/zinc/26/05/93/157260593.db2.gz UTBDQYWLJORKKM-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000358569406 157261534 /nfs/dbraw/zinc/26/15/34/157261534.db2.gz LJDJIHZCKFQZTM-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000358581795 157263229 /nfs/dbraw/zinc/26/32/29/157263229.db2.gz XZVYREZYXDEPLF-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000358669323 157269159 /nfs/dbraw/zinc/26/91/59/157269159.db2.gz ZERHUQWEQLXMQY-INIZCTEOSA-N 2 0 327.473 -0.622 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@]2(O)CC[NH+](C)C2)C[C@H](C)O1 ZINC000358686067 157271784 /nfs/dbraw/zinc/27/17/84/157271784.db2.gz TYUUBPYLLONUMD-LZWOXQAQSA-N 2 0 328.457 -0.149 20 0 EBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000359261052 157307762 /nfs/dbraw/zinc/30/77/62/157307762.db2.gz JHGBAXNFEFMODH-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+](CCOC)C1 ZINC000359259034 157307967 /nfs/dbraw/zinc/30/79/67/157307967.db2.gz FXQCHRADGHFAAJ-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCCOCC[NH+](C)C ZINC000360274446 157369896 /nfs/dbraw/zinc/36/98/96/157369896.db2.gz YFMBIAIYKWBNCH-CQSZACIVSA-N 2 0 342.484 -0.131 20 0 EBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCOCC[NH+](C)C)[C@@H](C)C1 ZINC000360273649 157370253 /nfs/dbraw/zinc/37/02/53/157370253.db2.gz TZWMCCARYGOMER-LSDHHAIUSA-N 2 0 342.484 -0.131 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000360273669 157370560 /nfs/dbraw/zinc/37/05/60/157370560.db2.gz UIKQWSSHKYDAMK-AWEZNQCLSA-N 2 0 342.484 -0.083 20 0 EBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000360278145 157371544 /nfs/dbraw/zinc/37/15/44/157371544.db2.gz IDNUOVQENMBEAQ-UHFFFAOYSA-N 2 0 328.457 -0.377 20 0 EBADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1=O ZINC000360339850 157375183 /nfs/dbraw/zinc/37/51/83/157375183.db2.gz VWURVGVTUIDOMF-CJNGLKHVSA-N 2 0 342.509 -0.050 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC[NH2+]1 ZINC000331840628 296775493 /nfs/dbraw/zinc/77/54/93/296775493.db2.gz UFEMVKXMPLADQL-CABCVRRESA-N 2 0 338.452 -0.623 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000418923740 418946064 /nfs/dbraw/zinc/94/60/64/418946064.db2.gz OCTJAZFMAFJRNV-RBSFLKMASA-N 2 0 340.468 -0.155 20 0 EBADRP CC[NH+]1CCC(NC(=O)CN2CCC[C@@H](S(=O)(=O)NC)C2)CC1 ZINC000533519124 418956955 /nfs/dbraw/zinc/95/69/55/418956955.db2.gz FGAFCFZULKEZEN-CQSZACIVSA-N 2 0 346.497 -0.400 20 0 EBADRP C[N@@H+]1CCC[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000531006824 419044235 /nfs/dbraw/zinc/04/42/35/419044235.db2.gz UPTJHWNNYQXCGW-KBPBESRZSA-N 2 0 325.457 -0.033 20 0 EBADRP CCCN(C(=O)C(=O)NCCOCC[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000647056689 418980385 /nfs/dbraw/zinc/98/03/85/418980385.db2.gz MALAYWZMXVRBIM-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662962860 419009084 /nfs/dbraw/zinc/00/90/84/419009084.db2.gz NNSWZTKTERNJAP-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000659024758 419066163 /nfs/dbraw/zinc/06/61/63/419066163.db2.gz JFWZUUFHTPWDEM-VIFPVBQESA-N 2 0 327.351 -0.463 20 0 EBADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@@H](O)CN3CCOCC3)C2)CC1 ZINC000644562010 419168772 /nfs/dbraw/zinc/16/87/72/419168772.db2.gz NZIYEOZZEBZAHM-DOTOQJQBSA-N 2 0 326.485 -0.562 20 0 EBADRP CN(Cc1ccccc1)C[C@@H](O)C[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000644627231 419170817 /nfs/dbraw/zinc/17/08/17/419170817.db2.gz WHTOPTYNIYUXPM-INIZCTEOSA-N 2 0 341.477 -0.040 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)[NH+](CC)CC)C[C@H]1C[NH3+] ZINC000652692771 419181727 /nfs/dbraw/zinc/18/17/27/419181727.db2.gz CDUIRNXHGZTCPH-MGPQQGTHSA-N 2 0 328.457 -0.345 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C[C@H]1C[NH3+] ZINC000652681184 419250877 /nfs/dbraw/zinc/25/08/77/419250877.db2.gz DCVRJJDEGXFQQU-QHSBEEBCSA-N 2 0 338.452 -0.593 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)[C@@H](C)CC)C[C@H]1C[NH3+] ZINC000652683906 419253388 /nfs/dbraw/zinc/25/33/88/419253388.db2.gz AOLLLJVWWUXDPH-BFHYXJOUSA-N 2 0 328.457 -0.345 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CC)C[C@H]1C[NH3+] ZINC000652686901 419256112 /nfs/dbraw/zinc/25/61/12/419256112.db2.gz QDSBAVSQNIMCID-RBSFLKMASA-N 2 0 340.468 -0.201 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@H]1C[NH3+] ZINC000652694115 419210229 /nfs/dbraw/zinc/21/02/29/419210229.db2.gz PBAPMPICXADUEY-APIJFGDWSA-N 2 0 338.452 -0.448 20 0 EBADRP CC[NH+](CC)CCS(=O)(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651793354 419220783 /nfs/dbraw/zinc/22/07/83/419220783.db2.gz JHSHYGQHXCARML-UHFFFAOYSA-N 2 0 334.486 -0.636 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cn1 ZINC000651837482 419224022 /nfs/dbraw/zinc/22/40/22/419224022.db2.gz FXIPRFRRPWZKAM-GXTWGEPZSA-N 2 0 334.424 -0.454 20 0 EBADRP [NH3+]CC1(CCNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000652153442 419229757 /nfs/dbraw/zinc/22/97/57/419229757.db2.gz JQKGNDHUFNXXNN-OAHLLOKOSA-N 2 0 339.484 -0.179 20 0 EBADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000652620168 419241710 /nfs/dbraw/zinc/24/17/10/419241710.db2.gz BSBIGSGDSYLTMJ-CYBMUJFWSA-N 2 0 336.440 -0.159 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000652622179 419241810 /nfs/dbraw/zinc/24/18/10/419241810.db2.gz COWMMMLVSKOCKX-CFVMTHIKSA-N 2 0 348.451 -0.031 20 0 EBADRP O=C1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CN1CCN1CCOCC1 ZINC000647790233 419298680 /nfs/dbraw/zinc/29/86/80/419298680.db2.gz UXVUHGLWGVKCOY-TWMKSMIVSA-N 2 0 336.480 -0.103 20 0 EBADRP O=C1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CN1CCN1CCOCC1 ZINC000647790234 419299172 /nfs/dbraw/zinc/29/91/72/419299172.db2.gz UXVUHGLWGVKCOY-VQHPVUNQSA-N 2 0 336.480 -0.103 20 0 EBADRP CC(C)[NH+](C)CC(=O)N(C)C[C@H](O)CNC(=O)C[N@@H+](C)C(C)C ZINC000647809936 419308506 /nfs/dbraw/zinc/30/85/06/419308506.db2.gz CMFNLJGTZHPIRF-CQSZACIVSA-N 2 0 330.473 -0.398 20 0 EBADRP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN(C)CCC[NH3+] ZINC000647849386 419310765 /nfs/dbraw/zinc/31/07/65/419310765.db2.gz QSFREETZTWCDFY-LLVKDONJSA-N 2 0 340.449 -0.108 20 0 EBADRP COC(=O)[C@]1(C)CCC[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000414102866 419313455 /nfs/dbraw/zinc/31/34/55/419313455.db2.gz DELMJFHKKLNHHN-MLGOLLRUSA-N 2 0 325.409 -0.049 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)C[C@H]1C[NH3+] ZINC000652730618 419329416 /nfs/dbraw/zinc/32/94/16/419329416.db2.gz JJBQOVFRVFRIPG-KBUPBQIOSA-N 2 0 338.452 -0.639 20 0 EBADRP CC[NH+]1CCN(CCC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000652735944 419350716 /nfs/dbraw/zinc/35/07/16/419350716.db2.gz XYPHVKKQZAGPFD-UHFFFAOYSA-N 2 0 339.484 -0.754 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000340484547 419361210 /nfs/dbraw/zinc/36/12/10/419361210.db2.gz BDTLNQNVJGVSMJ-UHFFFAOYSA-N 2 0 340.468 -0.329 20 0 EBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](C)C(=O)NCC[NH+]2CCCCC2)C1 ZINC000519772230 419541666 /nfs/dbraw/zinc/54/16/66/419541666.db2.gz QOQCTXDXFPSGRG-HZSPNIEDSA-N 2 0 326.441 -0.530 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000519771661 419542055 /nfs/dbraw/zinc/54/20/55/419542055.db2.gz YMTLJRIDNURBGX-IAGOWNOFSA-N 2 0 347.463 -0.225 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000519827288 419544357 /nfs/dbraw/zinc/54/43/57/419544357.db2.gz YRBAOELNVPIRNJ-MSOLQXFVSA-N 2 0 346.475 -0.015 20 0 EBADRP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)C(=O)NCC[NH+](C)C ZINC000520626660 419569795 /nfs/dbraw/zinc/56/97/95/419569795.db2.gz FPDLRUHRNPWAKY-HIFRSBDPSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CCO)[C@@H]1CN(C)CCO1 ZINC000655709595 419618265 /nfs/dbraw/zinc/61/82/65/419618265.db2.gz CUFURKOKEIWSLI-ZNMIVQPWSA-N 2 0 328.457 -0.149 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000659643279 419644948 /nfs/dbraw/zinc/64/49/48/419644948.db2.gz PUQXMXRNPVSIGY-BFHYXJOUSA-N 2 0 325.457 -0.116 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CCO1 ZINC000659716114 419787130 /nfs/dbraw/zinc/78/71/30/419787130.db2.gz VVXOPVVWFFZCIL-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP CNC(=O)[C@H](C)C[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000176385157 419773575 /nfs/dbraw/zinc/77/35/75/419773575.db2.gz KKGAZKBUCDHDLH-HUUCEWRRSA-N 2 0 342.484 -0.227 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000420064844 419838612 /nfs/dbraw/zinc/83/86/12/419838612.db2.gz OYEJTXXDLPDFPZ-RWMBFGLXSA-N 2 0 326.441 -0.374 20 0 EBADRP C[C@@H]1CC[C@@H](C(N)=O)C[NH+]1C[C@H](O)C[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000245912625 419843146 /nfs/dbraw/zinc/84/31/46/419843146.db2.gz FYQKXTPEBJJCHD-ZSAUSMIDSA-N 2 0 340.468 -0.481 20 0 EBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000422375251 419885330 /nfs/dbraw/zinc/88/53/30/419885330.db2.gz JCAMIUGMYSAQGV-AWEZNQCLSA-N 2 0 328.457 -0.378 20 0 EBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000423206081 419924028 /nfs/dbraw/zinc/92/40/28/419924028.db2.gz FTAWJXBOJJYEKV-KGLIPLIRSA-N 2 0 326.441 -0.624 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC[NH2+]1 ZINC000423127803 419919198 /nfs/dbraw/zinc/91/91/98/419919198.db2.gz KDANFYBTCNCYTM-CQSZACIVSA-N 2 0 339.484 -0.709 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000423271877 419929604 /nfs/dbraw/zinc/92/96/04/419929604.db2.gz YGVBYKJRNDNSJV-QGZVFWFLSA-N 2 0 340.468 -0.375 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000423285395 419934443 /nfs/dbraw/zinc/93/44/43/419934443.db2.gz ZFPJAOVMMULEKY-HUUCEWRRSA-N 2 0 337.468 -0.826 20 0 EBADRP C[NH2+]CCCN(C)C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000423216940 419925095 /nfs/dbraw/zinc/92/50/95/419925095.db2.gz SRRWOVAQMKUMRY-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C[C@@H](C)[NH2+]1 ZINC000423217778 419926023 /nfs/dbraw/zinc/92/60/23/419926023.db2.gz UTFHFJPHXFPXDT-RBSFLKMASA-N 2 0 340.468 -0.236 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423215607 419926104 /nfs/dbraw/zinc/92/61/04/419926104.db2.gz QVQLDPZSPCWNLZ-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000423260355 419927096 /nfs/dbraw/zinc/92/70/96/419927096.db2.gz HDIAAQVVEWEQSA-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP CN1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)[C@H](C[NH3+])C1 ZINC000514824413 419973753 /nfs/dbraw/zinc/97/37/53/419973753.db2.gz LMCORGTVVMCLNA-LSDHHAIUSA-N 2 0 337.468 -0.779 20 0 EBADRP COC[C@@]1(CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000516174733 420509835 /nfs/dbraw/zinc/50/98/35/420509835.db2.gz RZVBUMVIOPWMAP-LZWOXQAQSA-N 2 0 336.440 -0.375 20 0 EBADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)COCC[NH3+])c2)C1 ZINC000645952771 420529570 /nfs/dbraw/zinc/52/95/70/420529570.db2.gz SKJJMBFGDNNMAB-MRXNPFEDSA-N 2 0 348.447 -0.025 20 0 EBADRP COC[C@]1(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC[NH2+]C1 ZINC000646009564 420531747 /nfs/dbraw/zinc/53/17/47/420531747.db2.gz STIUFJXLJVBSJR-WBVHZDCISA-N 2 0 340.468 -0.865 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000646215937 420540842 /nfs/dbraw/zinc/54/08/42/420540842.db2.gz SWRWHPAETPRQSL-MELADBBJSA-N 2 0 325.457 -0.034 20 0 EBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCCC[NH2+]Cc1cccnc1 ZINC000646615269 420676660 /nfs/dbraw/zinc/67/66/60/420676660.db2.gz HVKIZZXLTMLQLI-HNNXBMFYSA-N 2 0 333.436 -0.064 20 0 EBADRP CNC(=O)[C@@]1(C(F)(F)F)CCN(C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000653777185 420667527 /nfs/dbraw/zinc/66/75/27/420667527.db2.gz KLBBQPKNGHUOSI-DGCLKSJQSA-N 2 0 341.374 -0.074 20 0 EBADRP Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)C[C@H]2C[NH2+]CCO2)cn1 ZINC000646546174 420670603 /nfs/dbraw/zinc/67/06/03/420670603.db2.gz OQHPQJRIJXLJDZ-KKUMJFAQSA-N 2 0 339.415 -0.173 20 0 EBADRP C[NH+]1CCN(c2cc(CNC(=O)NC[C@@H]3COCC[NH2+]3)ccn2)CC1 ZINC000529288616 420759695 /nfs/dbraw/zinc/75/96/95/420759695.db2.gz VKOTZZDNLXOVIR-OAHLLOKOSA-N 2 0 348.451 -0.379 20 0 EBADRP CN(CCN1CC[NH2+]CC1)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000649271737 420794460 /nfs/dbraw/zinc/79/44/60/420794460.db2.gz VDRORFPVLMRPLU-UHFFFAOYSA-N 2 0 346.479 -0.189 20 0 EBADRP [NH3+][C@@H]1CCCCN(CC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1=O ZINC000649321162 420799388 /nfs/dbraw/zinc/79/93/88/420799388.db2.gz NBHHNDPKJKJKBY-RBSFLKMASA-N 2 0 338.452 -0.616 20 0 EBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000649321260 420800934 /nfs/dbraw/zinc/80/09/34/420800934.db2.gz QQCCZIRISSICQR-RRFJBIMHSA-N 2 0 338.452 -0.698 20 0 EBADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649352274 420804759 /nfs/dbraw/zinc/80/47/59/420804759.db2.gz GZMDLKJVVCBWDH-ZSHCYNCHSA-N 2 0 344.463 -0.040 20 0 EBADRP C[NH+](C)C1CCN(CCNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000654508829 420831362 /nfs/dbraw/zinc/83/13/62/420831362.db2.gz MFFFJSIYABKTGH-JKSUJKDBSA-N 2 0 339.484 -0.527 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656024891 420866457 /nfs/dbraw/zinc/86/64/57/420866457.db2.gz UBRTXGWUHIASBP-QKGCVVFFSA-N 2 0 340.468 -0.286 20 0 EBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC[NH2+]CCOC)CC1 ZINC000656026020 420868275 /nfs/dbraw/zinc/86/82/75/420868275.db2.gz ZQEZSKURFIFDDX-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656039528 420868471 /nfs/dbraw/zinc/86/84/71/420868471.db2.gz CDSTZKRIPZDHET-BYNSBNAKSA-N 2 0 340.468 -0.332 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656039519 420869266 /nfs/dbraw/zinc/86/92/66/420869266.db2.gz BWMUSUQSWZNLBB-AIEDFZFUSA-N 2 0 340.468 -0.191 20 0 EBADRP C[C@H]1C[C@H](N(C)C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@@H+]1C ZINC000656077349 420875925 /nfs/dbraw/zinc/87/59/25/420875925.db2.gz UEMZYMVEVONNFR-LJISPDSOSA-N 2 0 338.452 -0.795 20 0 EBADRP CCCN(C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@H]1CC[N@H+](C)C1 ZINC000656086429 420877619 /nfs/dbraw/zinc/87/76/19/420877619.db2.gz YCTPLVVTDPEGBT-SOUVJXGZSA-N 2 0 338.452 -0.794 20 0 EBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656295417 420885032 /nfs/dbraw/zinc/88/50/32/420885032.db2.gz JELCXAZHDHOIFX-QLFBSQMISA-N 2 0 338.452 -0.888 20 0 EBADRP O=C(N[C@H]1CC[NH+]2CCCC[C@@H]12)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656299720 420885353 /nfs/dbraw/zinc/88/53/53/420885353.db2.gz BXRHDKCBPUHSNE-XGUBFFRZSA-N 2 0 336.436 -0.993 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656309666 420888178 /nfs/dbraw/zinc/88/81/78/420888178.db2.gz OIHVBIXZAROQSY-SOUVJXGZSA-N 2 0 338.452 -0.746 20 0 EBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656337088 420891827 /nfs/dbraw/zinc/89/18/27/420891827.db2.gz GITBPVJZLRTXSE-SOUVJXGZSA-N 2 0 338.452 -0.888 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659679601 421012831 /nfs/dbraw/zinc/01/28/31/421012831.db2.gz AJXKMQRKBYHQEX-XOYHFGRZSA-N 2 0 338.452 -0.591 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCC2([NH3+])CCCC2)CCCO1 ZINC000659676826 421014006 /nfs/dbraw/zinc/01/40/06/421014006.db2.gz JOHXZIIVNHLZMO-CQSZACIVSA-N 2 0 340.468 -0.009 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CCSC1 ZINC000659702965 421016511 /nfs/dbraw/zinc/01/65/11/421016511.db2.gz XJCMIRFZVOMPKN-XGTXGMFGSA-N 2 0 326.466 -0.510 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CCO1 ZINC000659716043 421019823 /nfs/dbraw/zinc/01/98/23/421019823.db2.gz UACXPLHHNBKRPC-RBSFLKMASA-N 2 0 340.468 -0.058 20 0 EBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000659721908 421020850 /nfs/dbraw/zinc/02/08/50/421020850.db2.gz LGDTXJOALGJPIQ-ILXRZTDVSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)[C@@H](C)C[NH2+]1 ZINC000659738491 421024259 /nfs/dbraw/zinc/02/42/59/421024259.db2.gz FFGLEWOPYJDIFW-IPYPFGDCSA-N 2 0 338.452 -0.435 20 0 EBADRP CN(CC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659746733 421027904 /nfs/dbraw/zinc/02/79/04/421027904.db2.gz PSLYOFJBCCNXQY-MRXNPFEDSA-N 2 0 347.463 -0.664 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000659756728 421030291 /nfs/dbraw/zinc/03/02/91/421030291.db2.gz SWIIOKJPFOLWST-OLZOCXBDSA-N 2 0 326.441 -0.578 20 0 EBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000662404353 421086947 /nfs/dbraw/zinc/08/69/47/421086947.db2.gz GOCQVWUPZMRVNZ-GWCFXTLKSA-N 2 0 336.358 -0.158 20 0 EBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000662446082 421087875 /nfs/dbraw/zinc/08/78/75/421087875.db2.gz VWFDGPXDOWKNCD-AWEZNQCLSA-N 2 0 326.441 -0.495 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000662526590 421090771 /nfs/dbraw/zinc/09/07/71/421090771.db2.gz ATHDZXSNEGBVQR-GASCZTMLSA-N 2 0 349.483 -0.133 20 0 EBADRP O=C(NCC[NH+]1CCCC1)c1ccc(NC(=O)C2(O)C[NH2+]C2)cc1 ZINC000662730793 421097801 /nfs/dbraw/zinc/09/78/01/421097801.db2.gz PNWNOPKMXUSISI-UHFFFAOYSA-N 2 0 332.404 -0.215 20 0 EBADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000662907046 421108134 /nfs/dbraw/zinc/10/81/34/421108134.db2.gz NEGWNHCIAAEBNR-CVEARBPZSA-N 2 0 332.452 -0.073 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000662931562 421112325 /nfs/dbraw/zinc/11/23/25/421112325.db2.gz FIGKAJUBTYYSDL-OAHLLOKOSA-N 2 0 339.484 -0.578 20 0 EBADRP C[NH+](C)[C@H]1CN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)C[C@@H]1O ZINC000663556126 421133203 /nfs/dbraw/zinc/13/32/03/421133203.db2.gz HYSDJPWVNFYYHK-KBPBESRZSA-N 2 0 327.473 -0.671 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000662931842 421113207 /nfs/dbraw/zinc/11/32/07/421113207.db2.gz HIXBKMZTIYEJIT-AWEZNQCLSA-N 2 0 325.457 -0.968 20 0 EBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)CC[C@H]21 ZINC000662944276 421114999 /nfs/dbraw/zinc/11/49/99/421114999.db2.gz KOBKEIRBLWKDQH-REWJHTLYSA-N 2 0 326.416 -0.173 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CCO1 ZINC000662948439 421116716 /nfs/dbraw/zinc/11/67/16/421116716.db2.gz KDWFAKUQQMKULB-ZIAGYGMSSA-N 2 0 326.441 -0.495 20 0 EBADRP [NH3+]CCOCC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663013673 421121596 /nfs/dbraw/zinc/12/15/96/421121596.db2.gz FPFWOEQWVKMZPS-CYBMUJFWSA-N 2 0 336.440 -0.499 20 0 EBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)C2)CC1 ZINC000664129806 421149279 /nfs/dbraw/zinc/14/92/79/421149279.db2.gz IVMIHIKEUGDXHI-BPUTZDHNSA-N 2 0 339.484 -0.529 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000441845902 421190055 /nfs/dbraw/zinc/19/00/55/421190055.db2.gz PEISEDIEKBDIHK-UHFFFAOYSA-N 2 0 346.391 -0.100 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)n1 ZINC000567822409 421194693 /nfs/dbraw/zinc/19/46/93/421194693.db2.gz VAKSRLUCDNWTIH-GFCCVEGCSA-N 2 0 332.412 0.041 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC000369780518 421195115 /nfs/dbraw/zinc/19/51/15/421195115.db2.gz RELRNOAQFPULNX-UONOGXRCSA-N 2 0 336.440 0.429 20 0 EBADRP C[C@H]1CN(C(=O)Nc2ccn(CC[NH+](C)C)n2)[C@@H](C)CN1CCO ZINC000416872331 421209035 /nfs/dbraw/zinc/20/90/35/421209035.db2.gz ZGDYGEDGCXXZRA-KBPBESRZSA-N 2 0 338.456 0.364 20 0 EBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000418936809 264842356 /nfs/dbraw/zinc/84/23/56/264842356.db2.gz KJOVPPNGDPMGQB-BFHYXJOUSA-N 2 0 328.457 -0.202 20 0 EBADRP C[NH2+]CCN(C)C(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000419159527 264853813 /nfs/dbraw/zinc/85/38/13/264853813.db2.gz ZLJWWGSDTSMMTO-UHFFFAOYSA-N 2 0 336.436 -0.079 20 0 EBADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419474077 264871196 /nfs/dbraw/zinc/87/11/96/264871196.db2.gz BKWZMWKOYXVKBA-GJZGRUSLSA-N 2 0 340.468 -0.057 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419595368 264881026 /nfs/dbraw/zinc/88/10/26/264881026.db2.gz WIYMMNWSLFLOAT-KBPBESRZSA-N 2 0 326.441 -0.528 20 0 EBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419870030 264898726 /nfs/dbraw/zinc/89/87/26/264898726.db2.gz NYGVUBUYKMBZKL-HUUCEWRRSA-N 2 0 339.484 -0.613 20 0 EBADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419878735 264900753 /nfs/dbraw/zinc/90/07/53/264900753.db2.gz YHXWTVMNAVNOKV-GJZGRUSLSA-N 2 0 339.484 -0.613 20 0 EBADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423084334 264986259 /nfs/dbraw/zinc/98/62/59/264986259.db2.gz HSNOKPSAVAHWET-HNNXBMFYSA-N 2 0 340.468 -0.247 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC[NH2+]1 ZINC000423219172 264990617 /nfs/dbraw/zinc/99/06/17/264990617.db2.gz WJJAZISFWVJACH-KBPBESRZSA-N 2 0 326.441 -0.624 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000423642768 265024436 /nfs/dbraw/zinc/02/44/36/265024436.db2.gz IMIDULTVEIHNTL-HUUCEWRRSA-N 2 0 340.468 -0.105 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)C[C@@H](C)[NH2+]1 ZINC000423677261 265031500 /nfs/dbraw/zinc/03/15/00/265031500.db2.gz JSSGMDWFXXOIPF-HUUCEWRRSA-N 2 0 341.500 -0.463 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000423736755 265039707 /nfs/dbraw/zinc/03/97/07/265039707.db2.gz BXWLJQMTHMTYIL-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP O=C(CC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CCOCC1 ZINC000430608768 265150348 /nfs/dbraw/zinc/15/03/48/265150348.db2.gz DYVCFTQPJYHBSG-OAHLLOKOSA-N 2 0 338.452 -0.621 20 0 EBADRP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430654548 265152391 /nfs/dbraw/zinc/15/23/91/265152391.db2.gz QDCXCOXSXQCVSJ-ZDUSSCGKSA-N 2 0 339.440 -0.634 20 0 EBADRP COCC[C@]1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC[NH2+]C1 ZINC000430896612 265156350 /nfs/dbraw/zinc/15/63/50/265156350.db2.gz IKXPPFAFFJXKBG-XJKSGUPXSA-N 2 0 326.441 -0.541 20 0 EBADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000430956334 265158203 /nfs/dbraw/zinc/15/82/03/265158203.db2.gz OGPDTRPIWAHZRA-AWEZNQCLSA-N 2 0 339.484 -0.722 20 0 EBADRP Cn1cc(N2CC[C@@H](NC(=O)CCC[NH+]3CCC([NH3+])CC3)C2=O)cn1 ZINC000433168674 265186422 /nfs/dbraw/zinc/18/64/22/265186422.db2.gz SXSKUOUVTCCOQC-OAHLLOKOSA-N 2 0 348.451 -0.155 20 0 EBADRP Cn1cnc2c1c(=O)n(CCC[N@H+](C)[C@@H]1CCC[NH2+]CC1)c(=O)n2C ZINC000435621195 265228782 /nfs/dbraw/zinc/22/87/82/265228782.db2.gz JQILWKHOGSBVHB-CYBMUJFWSA-N 2 0 348.451 -0.102 20 0 EBADRP C[C@@H]1CC(=O)C[C@@H](C(=O)NCC[NH+](C)C)[C@H]1C(=O)NCC[NH+](C)C ZINC000448543589 265389894 /nfs/dbraw/zinc/38/98/94/265389894.db2.gz SGTAIVTXCDFSCE-YUELXQCFSA-N 2 0 340.468 -0.427 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC2)c1 ZINC000419986560 272816781 /nfs/dbraw/zinc/81/67/81/272816781.db2.gz CHANKHOULMXGHU-LBPRGKRZSA-N 2 0 335.408 -0.408 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000353115937 289127103 /nfs/dbraw/zinc/12/71/03/289127103.db2.gz RXPXENBKGVACTG-UHFFFAOYSA-N 2 0 327.473 -0.851 20 0 EBADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCOCC[NH+](C)C ZINC000360271686 300215232 /nfs/dbraw/zinc/21/52/32/300215232.db2.gz KNEOFOJJMJVFBK-KBPBESRZSA-N 2 0 328.457 -0.521 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000670671964 545714410 /nfs/dbraw/zinc/71/44/10/545714410.db2.gz NCVYPNXXEQDWND-HUUCEWRRSA-N 2 0 340.468 -0.330 20 0 EBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCC[NH+]2CCOC)C1 ZINC000668786928 545760217 /nfs/dbraw/zinc/76/02/17/545760217.db2.gz KIWAFGITZQWFBM-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](CCOC)C2)C1 ZINC000668841227 545770488 /nfs/dbraw/zinc/77/04/88/545770488.db2.gz HRNKUOSZQFQGJQ-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP CN1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)[C@H](C[NH3+])C1 ZINC000669463860 545875768 /nfs/dbraw/zinc/87/57/68/545875768.db2.gz NZNAXZPKYSLTIB-OAHLLOKOSA-N 2 0 339.484 -0.084 20 0 EBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)C[NH+]1CCN(C)CC1 ZINC000671172515 545915571 /nfs/dbraw/zinc/91/55/71/545915571.db2.gz ZLMPIGJMMVFROA-HUUCEWRRSA-N 2 0 339.484 -0.804 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)C[NH+]1CCN(C)CC1 ZINC000671172514 545915909 /nfs/dbraw/zinc/91/59/09/545915909.db2.gz ZLMPIGJMMVFROA-GJZGRUSLSA-N 2 0 339.484 -0.804 20 0 EBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000672358303 545998164 /nfs/dbraw/zinc/99/81/64/545998164.db2.gz SYUIAZIFJPDBEB-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000672358304 545998804 /nfs/dbraw/zinc/99/88/04/545998804.db2.gz SYUIAZIFJPDBEB-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000667812050 546063102 /nfs/dbraw/zinc/06/31/02/546063102.db2.gz CBXADQLELYXQEU-OLZOCXBDSA-N 2 0 339.440 -0.541 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1)[N@H+](C)C1CC1 ZINC000672207768 546085104 /nfs/dbraw/zinc/08/51/04/546085104.db2.gz MPCGRAZSOZOFMD-OBJOEFQTSA-N 2 0 326.441 -0.579 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672308805 546091639 /nfs/dbraw/zinc/09/16/39/546091639.db2.gz DRLNPPFWVMHOFM-OAHLLOKOSA-N 2 0 340.468 -0.377 20 0 EBADRP O[C@@H]1C[C@H](O)C[NH+](Cc2cccc(C[N@H+]3C[C@H](O)C[C@H](O)C3)c2)C1 ZINC000674498570 546167290 /nfs/dbraw/zinc/16/72/90/546167290.db2.gz SDNLQUNSGUQOKH-USTZCAOPSA-N 2 0 336.432 -0.458 20 0 EBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3C[C@H](O)C[C@@H]3CO)C2)CC1 ZINC000680943087 546296132 /nfs/dbraw/zinc/29/61/32/546296132.db2.gz FTWKNOSKGNYWAS-NWANDNLSSA-N 2 0 326.441 -0.708 20 0 EBADRP CC(C)(CNC(=O)NCC[NH+]1CCC(O)CC1)N1CCOCC1 ZINC000891512471 582557020 /nfs/dbraw/zinc/55/70/20/582557020.db2.gz PXJJLCIPYKFESM-UHFFFAOYSA-N 2 0 328.457 -0.147 20 0 EBADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000891968482 582564165 /nfs/dbraw/zinc/56/41/65/582564165.db2.gz LEUFDWVGRCBPAA-AWEZNQCLSA-N 2 0 327.473 -0.574 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC000891971640 582564551 /nfs/dbraw/zinc/56/45/51/582564551.db2.gz WYGIBVFTMAOUFY-NXEZZACHSA-N 2 0 337.346 -0.803 20 0 EBADRP O=C(NC[C@H]1CCC[NH2+]C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891979733 582564917 /nfs/dbraw/zinc/56/49/17/582564917.db2.gz QWZHLUFWPQEFBD-DGAVXFQQSA-N 2 0 337.424 -0.438 20 0 EBADRP O=C(NCC[NH2+]C1CC1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000891984945 582565151 /nfs/dbraw/zinc/56/51/51/582565151.db2.gz PCGMRXVVLCFZIX-INIZCTEOSA-N 2 0 339.484 -0.166 20 0 EBADRP O=C(NCC[C@H]1CC[NH2+]C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891997916 582565662 /nfs/dbraw/zinc/56/56/62/582565662.db2.gz AYLGMPMUFJNCNW-SYQHCUMBSA-N 2 0 337.424 -0.438 20 0 EBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892095325 582567291 /nfs/dbraw/zinc/56/72/91/582567291.db2.gz WQUCUUKQJMGMQR-RGDJUOJXSA-N 2 0 337.424 -0.439 20 0 EBADRP COCCN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000892295531 582573583 /nfs/dbraw/zinc/57/35/83/582573583.db2.gz QYFSCTYXHLQEHU-OAHLLOKOSA-N 2 0 328.457 -0.025 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892303310 582573850 /nfs/dbraw/zinc/57/38/50/582573850.db2.gz ZLVABTUUYDQXIC-ARFHVFGLSA-N 2 0 339.484 -0.167 20 0 EBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892761073 582587138 /nfs/dbraw/zinc/58/71/38/582587138.db2.gz UFVVUCOLPNRELJ-KGLIPLIRSA-N 2 0 326.441 -0.489 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000892756095 582587144 /nfs/dbraw/zinc/58/71/44/582587144.db2.gz MOHODDARGABESX-MELADBBJSA-N 2 0 326.441 -0.097 20 0 EBADRP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000866920785 582676472 /nfs/dbraw/zinc/67/64/72/582676472.db2.gz HJWIUSADSIQFIG-BLLLJJGKSA-N 2 0 346.472 -0.130 20 0 EBADRP O=C(CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000728913497 582680044 /nfs/dbraw/zinc/68/00/44/582680044.db2.gz KZUCNPLSDOCWKI-STQMWFEESA-N 2 0 349.435 -0.186 20 0 EBADRP COCC(COC)N1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000897968173 582715982 /nfs/dbraw/zinc/71/59/82/582715982.db2.gz HVGBKMLNMYIXDU-OAHLLOKOSA-N 2 0 341.452 -0.487 20 0 EBADRP CCN1CCN(C(=O)CNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC000899139162 582745713 /nfs/dbraw/zinc/74/57/13/582745713.db2.gz AGPWLOSZRHIVOM-UHFFFAOYSA-N 2 0 326.441 -0.623 20 0 EBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900685605 582778859 /nfs/dbraw/zinc/77/88/59/582778859.db2.gz GIHLOMYVFPGKSL-DOTOQJQBSA-N 2 0 326.485 -0.025 20 0 EBADRP COC[C@@](C)(CNC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)[C@@H]1CCC[NH+]1C ZINC000900716241 582779764 /nfs/dbraw/zinc/77/97/64/582779764.db2.gz GHDYHHVCLKZBBS-GRDNDAEWSA-N 2 0 340.468 -0.188 20 0 EBADRP O=C([C@@H]1CCC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1)N1CC[NH2+]CC1 ZINC000903713146 582814888 /nfs/dbraw/zinc/81/48/88/582814888.db2.gz GHOGFUWXPUBGMM-NUJGCVRESA-N 3 0 336.480 -0.101 20 0 EBADRP CCN1CCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)CC1 ZINC000903711477 582814896 /nfs/dbraw/zinc/81/48/96/582814896.db2.gz ZOSLESSZBPGCSV-QWRGUYRKSA-N 2 0 336.358 -0.111 20 0 EBADRP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)N1CCOCC1 ZINC000903711290 582815060 /nfs/dbraw/zinc/81/50/60/582815060.db2.gz STNWHGUTQVYBMI-GASCZTMLSA-N 2 0 336.436 -0.728 20 0 EBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000903741806 582816728 /nfs/dbraw/zinc/81/67/28/582816728.db2.gz IBHZATCAKDFBED-AWEZNQCLSA-N 2 0 325.457 -0.968 20 0 EBADRP CN(C1CCOCC1)S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000739957907 583059976 /nfs/dbraw/zinc/05/99/76/583059976.db2.gz NTOSKZONWOVCMZ-UHFFFAOYSA-N 2 0 336.502 -0.233 20 0 EBADRP C[NH+]1CCC(O)(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000741085965 583069094 /nfs/dbraw/zinc/06/90/94/583069094.db2.gz ACOCENQNRVOFQR-KBPBESRZSA-N 2 0 326.441 -0.395 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000741087284 583069347 /nfs/dbraw/zinc/06/93/47/583069347.db2.gz WEERVVGNSBUGOG-JKSUJKDBSA-N 3 0 341.500 -0.016 20 0 EBADRP NC(=O)NC(=O)OCCC[NH+]1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000772218628 583355638 /nfs/dbraw/zinc/35/56/38/583355638.db2.gz QXRCCCPLCGQRNU-GFCCVEGCSA-N 2 0 341.412 -0.405 20 0 EBADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000774431143 583384488 /nfs/dbraw/zinc/38/44/88/583384488.db2.gz KDBAWUNLFPTNTC-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)CC[N@@H+]1C ZINC000804054728 583638560 /nfs/dbraw/zinc/63/85/60/583638560.db2.gz WBWHYPCKQUQLDX-KBXIAJHMSA-N 2 0 338.452 -0.435 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CCC1 ZINC000807026854 583657029 /nfs/dbraw/zinc/65/70/29/583657029.db2.gz FILZUADNJSIDKW-KBPBESRZSA-N 2 0 338.452 -0.434 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C[C@H]2[NH3+])cn1 ZINC000818647581 583746703 /nfs/dbraw/zinc/74/67/03/583746703.db2.gz AQLDABNSCPZDRK-LVQVYYBASA-N 2 0 348.451 -0.281 20 0 EBADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC1=O ZINC000820848304 583781954 /nfs/dbraw/zinc/78/19/54/583781954.db2.gz QLNSMRUCDCTKCU-KBPBESRZSA-N 2 0 326.441 -0.767 20 0 EBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000827706300 583926273 /nfs/dbraw/zinc/92/62/73/583926273.db2.gz KYBABFPQGUBZNN-ZNMIVQPWSA-N 2 0 338.452 -0.434 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000827936268 583929618 /nfs/dbraw/zinc/92/96/18/583929618.db2.gz IDJQGKZQWRQVKO-MGPQQGTHSA-N 2 0 334.424 -0.204 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)[NH+]1CCCCC1 ZINC000842016316 584056457 /nfs/dbraw/zinc/05/64/57/584056457.db2.gz UBHOJUWVWUJIRG-RDBSUJKOSA-N 2 0 326.441 -0.448 20 0 EBADRP CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000842165094 584058443 /nfs/dbraw/zinc/05/84/43/584058443.db2.gz RGVQHPVXDIHFRB-QWHCGFSZSA-N 2 0 326.441 -0.401 20 0 EBADRP C[C@]1(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCC[NH2+]C1 ZINC000842163956 584058570 /nfs/dbraw/zinc/05/85/70/584058570.db2.gz CRXMIPTXOXYTBX-CPUCHLNUSA-N 2 0 338.452 -0.528 20 0 EBADRP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[NH2+]1 ZINC000842164445 584058712 /nfs/dbraw/zinc/05/87/12/584058712.db2.gz LFWBJEUIFKOPMR-RBSFLKMASA-N 2 0 338.452 -0.578 20 0 EBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000842165543 584059011 /nfs/dbraw/zinc/05/90/11/584059011.db2.gz ZFTDBYWIKGKOCH-HZSPNIEDSA-N 2 0 326.441 -0.545 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H](O)COc2cccc(F)c2)CC1 ZINC000843064648 584070903 /nfs/dbraw/zinc/07/09/03/584070903.db2.gz HQNAVWRTIODMAV-HOTGVXAUSA-N 2 0 341.427 -0.237 20 0 EBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843472061 584079401 /nfs/dbraw/zinc/07/94/01/584079401.db2.gz SKPJJCIJSWXMJF-KBPBESRZSA-N 2 0 326.441 -0.399 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1(n2cccn2)CC[NH2+]CC1 ZINC000844180302 584090040 /nfs/dbraw/zinc/09/00/40/584090040.db2.gz QVFTWVNYYUSFRS-HUUCEWRRSA-N 2 0 333.436 -0.059 20 0 EBADRP CN(C)C(=O)CN1CCN(C(=O)C[N@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000844221368 584091338 /nfs/dbraw/zinc/09/13/38/584091338.db2.gz XTADCGSVDZELSI-UHFFFAOYSA-N 2 0 339.484 -0.580 20 0 EBADRP [NH3+]CCC1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000846327841 584124670 /nfs/dbraw/zinc/12/46/70/584124670.db2.gz DXQGJJPZWXZDDP-CABCVRRESA-N 2 0 338.452 -0.447 20 0 EBADRP O=C(NCCC1CC[NH2+]CC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000846331257 584124685 /nfs/dbraw/zinc/12/46/85/584124685.db2.gz SIMHERDENDJTMR-HUUCEWRRSA-N 2 0 338.452 -0.528 20 0 EBADRP [NH3+]CCN(CCO)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000851689862 584199594 /nfs/dbraw/zinc/19/95/94/584199594.db2.gz SSVLYVLKUWEYGC-CYBMUJFWSA-N 2 0 326.441 -0.711 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(C2=NCC(C)(C)S2)CC1 ZINC000851691044 584199936 /nfs/dbraw/zinc/19/99/36/584199936.db2.gz DLKIOWVJNKZZKC-NSHDSACASA-N 2 0 341.481 -0.264 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(C2=NCC(C)(C)S2)CC1 ZINC000851691031 584199991 /nfs/dbraw/zinc/19/99/91/584199991.db2.gz DLKIOWVJNKZZKC-LLVKDONJSA-N 2 0 341.481 -0.264 20 0 EBADRP CC(C)[C@@H](CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])N1CC[NH+](C)CC1 ZINC000861743415 584336707 /nfs/dbraw/zinc/33/67/07/584336707.db2.gz VWLLXTQWWPMEKX-UONOGXRCSA-N 2 0 327.473 -0.820 20 0 EBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000861767382 584338110 /nfs/dbraw/zinc/33/81/10/584338110.db2.gz QAIDTTWYRODKRA-CYBMUJFWSA-N 2 0 326.441 -0.447 20 0 EBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000866748459 584405539 /nfs/dbraw/zinc/40/55/39/584405539.db2.gz RDWLMRFTEMGSEU-UONOGXRCSA-N 2 0 332.470 -0.632 20 0 EBADRP Cn1cnc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000867589172 584411793 /nfs/dbraw/zinc/41/17/93/584411793.db2.gz MZOLZAZQKKEMQM-CHWSQXEVSA-N 2 0 329.470 -0.220 20 0 EBADRP CNC(=O)CN1CCC(NC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000868046621 584421689 /nfs/dbraw/zinc/42/16/89/584421689.db2.gz ZVMHPISMGDZYTQ-HIFRSBDPSA-N 2 0 337.468 -0.068 20 0 EBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)CC1=O ZINC000869780462 584441705 /nfs/dbraw/zinc/44/17/05/584441705.db2.gz KNMDJSRRLPCFKE-KGLIPLIRSA-N 2 0 340.468 -0.642 20 0 EBADRP COC(=O)[C@H](CCNC(=O)[C@H](C)[NH+](C)C)NC(=O)[C@H](C)[NH+](C)C ZINC000870863510 584449571 /nfs/dbraw/zinc/44/95/71/584449571.db2.gz LYBPMFUBROISOB-SRVKXCTJSA-N 2 0 330.429 -0.949 20 0 EBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000871809855 584457298 /nfs/dbraw/zinc/45/72/98/584457298.db2.gz GGNDIZMWDZQLHU-STQMWFEESA-N 2 0 333.454 -0.947 20 0 EBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000871811259 584457500 /nfs/dbraw/zinc/45/75/00/584457500.db2.gz NMTNFTPVBXMXQW-CABCVRRESA-N 2 0 325.434 -0.391 20 0 EBADRP [NH3+]C[C@@]1(C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCCOC1 ZINC000872302048 584461366 /nfs/dbraw/zinc/46/13/66/584461366.db2.gz NMXCSVYYERIZLG-ZWUHOBOKSA-N 2 0 338.408 -0.865 20 0 EBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872302183 584461381 /nfs/dbraw/zinc/46/13/81/584461381.db2.gz QWMJFHZVJZBJCP-ZMKDUNFASA-N 2 0 334.420 -0.208 20 0 EBADRP CN1CCN(C(=O)CCNC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000875068892 584488989 /nfs/dbraw/zinc/48/89/89/584488989.db2.gz QWDAXNXFQYLESE-CABCVRRESA-N 2 0 337.468 -0.114 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[NH+](C)C(C)(C)CC1 ZINC000875211039 584493683 /nfs/dbraw/zinc/49/36/83/584493683.db2.gz ZGQMOFBYUQAJLX-AWEZNQCLSA-N 2 0 339.484 -0.709 20 0 EBADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000875236170 584494497 /nfs/dbraw/zinc/49/44/97/584494497.db2.gz BCBIJUAYJGPEHE-KKUMJFAQSA-N 2 0 340.468 -0.006 20 0 EBADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000875236175 584494928 /nfs/dbraw/zinc/49/49/28/584494928.db2.gz BCBIJUAYJGPEHE-SOUVJXGZSA-N 2 0 340.468 -0.006 20 0 EBADRP C[C@@H](CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)S(C)(=O)=O ZINC000875420794 584498797 /nfs/dbraw/zinc/49/87/97/584498797.db2.gz DUSBNEUUULZLLH-BFHYXJOUSA-N 2 0 348.513 -0.200 20 0 EBADRP COC[C@@]1(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C[NH2+]CCO1 ZINC000876723563 584521718 /nfs/dbraw/zinc/52/17/18/584521718.db2.gz FCWVRHAWULJYML-QGZVFWFLSA-N 2 0 341.452 -0.438 20 0 EBADRP COC[C@]1(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)C[NH2+]CCO1 ZINC000876757407 584522346 /nfs/dbraw/zinc/52/23/46/584522346.db2.gz GBDNWESEVFNBGN-KRWDZBQOSA-N 2 0 343.468 -0.003 20 0 EBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000876769578 584523252 /nfs/dbraw/zinc/52/32/52/584523252.db2.gz UMXKZRHHWHBYHL-AYXMCGBSSA-N 2 0 336.480 -0.079 20 0 EBADRP COC[C@@]1(C(=O)NCCN2CCC([NH+](C)C)CC2)C[NH2+]CCO1 ZINC000876776935 584523499 /nfs/dbraw/zinc/52/34/99/584523499.db2.gz KRZOBNNMQFTHNJ-MRXNPFEDSA-N 2 0 328.457 -0.866 20 0 EBADRP CC[NH+]1CCN(CCCNC(=O)[C@]2(COC)C[NH2+]CCO2)CC1 ZINC000876781989 584523539 /nfs/dbraw/zinc/52/35/39/584523539.db2.gz UDDMGXUQSHAOBJ-MRXNPFEDSA-N 2 0 328.457 -0.865 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@]2(COC)C[NH2+]CCO2)C1 ZINC000876775616 584523609 /nfs/dbraw/zinc/52/36/09/584523609.db2.gz ZXILZQVBVOKELC-RDJZCZTQSA-N 2 0 343.468 -0.049 20 0 EBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1(F)F ZINC000876788384 584524129 /nfs/dbraw/zinc/52/41/29/584524129.db2.gz MSEZXHLKOAIPEO-QNWHQSFQSA-N 2 0 344.406 -0.067 20 0 EBADRP COC[C@@]1(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)C[NH2+]CCO1 ZINC000876955248 584527513 /nfs/dbraw/zinc/52/75/13/584527513.db2.gz VYLGYRZDRHSYOD-DOTOQJQBSA-N 2 0 341.452 -0.295 20 0 EBADRP COC[C@]1(C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000877018670 584528324 /nfs/dbraw/zinc/52/83/24/584528324.db2.gz PGFMHDUUMRAULB-MDZLAQPJSA-N 2 0 339.358 -0.023 20 0 EBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)c3[nH]nc4c3C[NH2+]CC4)CC2)C1=O ZINC000877146842 584529430 /nfs/dbraw/zinc/52/94/30/584529430.db2.gz WCNVSLLQHYORFA-CQSZACIVSA-N 2 0 346.435 -0.520 20 0 EBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)CO[C@@H]3CCC[NH2+]C3)CC2)C1=O ZINC000877146186 584529459 /nfs/dbraw/zinc/52/94/59/584529459.db2.gz PTSMMFQLDHEKNJ-HUUCEWRRSA-N 2 0 338.452 -0.434 20 0 EBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000877144498 584529462 /nfs/dbraw/zinc/52/94/62/584529462.db2.gz OEHYDXCCANAQQI-AIANPOQGSA-N 3 0 326.485 -0.049 20 0 EBADRP COC[C@@]1(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC[NH2+]C1 ZINC000877144796 584529556 /nfs/dbraw/zinc/52/95/56/584529556.db2.gz WOUNQECXGVGBBC-BFYDXBDKSA-N 3 0 326.485 -0.190 20 0 EBADRP C[N@H+](CCCO)C1CCN(CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000878109394 584537526 /nfs/dbraw/zinc/53/75/26/584537526.db2.gz QKRNHWCKSPAOOF-UHFFFAOYSA-N 2 0 326.485 -0.025 20 0 EBADRP CN1CC[NH+](CCCCCC[N@H+]2CCN(C)C[C@@H]2CO)[C@@H](CO)C1 ZINC000879001728 584546894 /nfs/dbraw/zinc/54/68/94/584546894.db2.gz GJINUZTVONOGFW-QZTJIDSGSA-N 2 0 342.528 -0.237 20 0 EBADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)CCn2ccnc2)C[C@H]1C[NH+](C)C ZINC000882470899 584590012 /nfs/dbraw/zinc/59/00/12/584590012.db2.gz CKWDLOKPVLFFPA-HUUCEWRRSA-N 2 0 343.497 -0.116 20 0 EBADRP C[C@@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CCN1c1cc[nH+]cc1 ZINC000883473028 584601778 /nfs/dbraw/zinc/60/17/78/584601778.db2.gz PCYVAFMSFGBCCU-HIFRSBDPSA-N 2 0 340.449 -0.090 20 0 EBADRP C[C@@H](CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1)N1CC[NH+](C)CC1 ZINC000884235254 584619832 /nfs/dbraw/zinc/61/98/32/584619832.db2.gz QESLOWZXRJPWLO-HNNXBMFYSA-N 2 0 346.479 -0.143 20 0 EBADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884557182 584626818 /nfs/dbraw/zinc/62/68/18/584626818.db2.gz JEEFSCDTOFEQLF-HOTGVXAUSA-N 2 0 343.431 -0.265 20 0 EBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000884560454 584627564 /nfs/dbraw/zinc/62/75/64/584627564.db2.gz XZDWUGRCXFXIJM-TUVASFSCSA-N 2 0 338.452 -0.401 20 0 EBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000884560147 584627703 /nfs/dbraw/zinc/62/77/03/584627703.db2.gz OILIPVQMGOISRT-RBSFLKMASA-N 2 0 338.452 -0.434 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000884562664 584627734 /nfs/dbraw/zinc/62/77/34/584627734.db2.gz HDMABLIUJAGNPG-UHFFFAOYSA-N 2 0 328.457 -0.199 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884587098 584629033 /nfs/dbraw/zinc/62/90/33/584629033.db2.gz AIVBAFMQEKUJFA-HDJSIYSDSA-N 2 0 328.457 -0.295 20 0 EBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NCCCC[NH+]1CCOCC1)C2 ZINC000884597917 584629068 /nfs/dbraw/zinc/62/90/68/584629068.db2.gz NZJRBHGFLALSEO-WMLDXEAASA-N 2 0 338.452 -0.717 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000884603647 584629195 /nfs/dbraw/zinc/62/91/95/584629195.db2.gz OGZJXOVOSUQEFM-CABCVRRESA-N 2 0 340.468 -0.057 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000884603629 584629382 /nfs/dbraw/zinc/62/93/82/584629382.db2.gz NOTNBGSLHGXUTB-CHWSQXEVSA-N 2 0 326.441 -0.448 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CCSC1 ZINC000884612646 584629902 /nfs/dbraw/zinc/62/99/02/584629902.db2.gz QOFLETHSAMIAEW-IOASZLSFSA-N 2 0 340.493 -0.107 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000884637589 584630688 /nfs/dbraw/zinc/63/06/88/584630688.db2.gz TWGCNJKNOHBHJC-AWEZNQCLSA-N 2 0 328.457 -0.199 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884662362 584632340 /nfs/dbraw/zinc/63/23/40/584632340.db2.gz ODXAWWGXLBEKRJ-ZDUSSCGKSA-N 2 0 328.457 -0.425 20 0 EBADRP CCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[C@H]1CC[NH2+]C1 ZINC000884669705 584632454 /nfs/dbraw/zinc/63/24/54/584632454.db2.gz DOQLAANGJRNTBE-GJZGRUSLSA-N 2 0 339.484 -0.804 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CCN1c1cc[nH+]cc1 ZINC000884674580 584632893 /nfs/dbraw/zinc/63/28/93/584632893.db2.gz ZTAJHDNMNGPYGZ-UONOGXRCSA-N 2 0 331.420 -0.013 20 0 EBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000884725697 584636312 /nfs/dbraw/zinc/63/63/12/584636312.db2.gz UBOWSSGRYKDHKN-ZDUSSCGKSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000884725190 584636484 /nfs/dbraw/zinc/63/64/84/584636484.db2.gz AJXVUGLZYMCSER-UYJPIKCFSA-N 2 0 326.441 -0.530 20 0 EBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000884787695 584637744 /nfs/dbraw/zinc/63/77/44/584637744.db2.gz ZCHRYERPAACLLM-NEPJUHHUSA-N 2 0 332.395 -0.052 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000884811899 584638233 /nfs/dbraw/zinc/63/82/33/584638233.db2.gz IFQRDXFFKWABDR-AWEZNQCLSA-N 2 0 349.435 -0.529 20 0 EBADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000884986130 584642310 /nfs/dbraw/zinc/64/23/10/584642310.db2.gz IVOKOFRWBBMIHR-XOYHFGRZSA-N 2 0 340.468 -0.058 20 0 EBADRP CN1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000885022220 584642810 /nfs/dbraw/zinc/64/28/10/584642810.db2.gz MLCHPIXSIDNMLZ-HIFRSBDPSA-N 2 0 332.404 -0.525 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885286482 584647267 /nfs/dbraw/zinc/64/72/67/584647267.db2.gz WQCGWWLLDURECW-NEPJUHHUSA-N 2 0 332.395 -0.052 20 0 EBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885290886 584647352 /nfs/dbraw/zinc/64/73/52/584647352.db2.gz JIDJJRASRSBKFE-NSHDSACASA-N 2 0 332.395 -0.100 20 0 EBADRP COC(=O)N[C@H]1CCN([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000887305882 584677552 /nfs/dbraw/zinc/67/75/52/584677552.db2.gz BZPZIDJLLCIJMF-NWDGAFQWSA-N 2 0 326.397 -0.504 20 0 EBADRP C[N@@H+]1CCC[C@](O)(CC(=O)N2CC[C@H]3[C@H]2CCC[NH+]3CCO)C1 ZINC000889745519 584688550 /nfs/dbraw/zinc/68/85/50/584688550.db2.gz VZASAEYBTIBNBR-UXLLHSPISA-N 2 0 325.453 -0.109 20 0 EBADRP CC[C@H](C)[C@H]([NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C(N)=O ZINC000154539865 649976933 /nfs/dbraw/zinc/97/69/33/649976933.db2.gz LEBFAUATTCQKPE-LZWOXQAQSA-N 2 0 342.484 -0.051 20 0 EBADRP C[C@H]1CN(S(=O)(=O)N2CC[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000904336969 650049236 /nfs/dbraw/zinc/04/92/36/650049236.db2.gz LHTGRPOBZQYUNU-ZQDZILKHSA-N 2 0 346.497 -0.305 20 0 EBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000904956618 650052075 /nfs/dbraw/zinc/05/20/75/650052075.db2.gz PDUAIDZTLDEUSQ-ZDUSSCGKSA-N 2 0 327.473 -0.866 20 0 EBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000904990120 650055408 /nfs/dbraw/zinc/05/54/08/650055408.db2.gz OKGGEEGCLJRLNL-QLFBSQMISA-N 2 0 338.452 -0.746 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000904988535 650055457 /nfs/dbraw/zinc/05/54/57/650055457.db2.gz URMPCQHWBOMUBW-OLZOCXBDSA-N 2 0 326.441 -0.760 20 0 EBADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000904988083 650055573 /nfs/dbraw/zinc/05/55/73/650055573.db2.gz SLVDWTRKMQGUON-KFWWJZLASA-N 2 0 338.452 -0.759 20 0 EBADRP CC1(C)CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C[C@H]1[NH3+] ZINC000904986308 650055745 /nfs/dbraw/zinc/05/57/45/650055745.db2.gz HMSVWQBCCMGNSS-MGPQQGTHSA-N 2 0 338.452 -0.760 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC[C@@H]1[NH3+] ZINC000904985658 650055796 /nfs/dbraw/zinc/05/57/96/650055796.db2.gz DDRWPFMBQVXGNI-BARDWOONSA-N 2 0 338.452 -0.760 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000904996414 650057635 /nfs/dbraw/zinc/05/76/35/650057635.db2.gz PVPPKIYUCIJJHR-CABCVRRESA-N 2 0 338.452 -0.480 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000905017746 650060676 /nfs/dbraw/zinc/06/06/76/650060676.db2.gz VUZBJGAUBFANMM-LSDHHAIUSA-N 2 0 338.452 -0.480 20 0 EBADRP C[NH+](C)C1CCN(CCNS(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000905338952 650063061 /nfs/dbraw/zinc/06/30/61/650063061.db2.gz VOGAJRMCRMSAMS-UHFFFAOYSA-N 2 0 332.514 -0.069 20 0 EBADRP CC(C)[NH+]1CCN(CCC(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000908027493 650095147 /nfs/dbraw/zinc/09/51/47/650095147.db2.gz HADTUMYIPWUMTR-QGZVFWFLSA-N 2 0 337.512 -0.091 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CSC[C@@H]2C1 ZINC000910613867 650116294 /nfs/dbraw/zinc/11/62/94/650116294.db2.gz QZPIHIRMWPRSIS-OKILXGFUSA-N 2 0 342.509 -0.240 20 0 EBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000910737037 650127889 /nfs/dbraw/zinc/12/78/89/650127889.db2.gz QSNMVTXHAAZQCJ-UONOGXRCSA-N 2 0 340.468 -0.690 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000910920970 650140274 /nfs/dbraw/zinc/14/02/74/650140274.db2.gz BTHSQKOHVBMJHF-HUUCEWRRSA-N 2 0 340.468 -0.546 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)CC1 ZINC000910999272 650144302 /nfs/dbraw/zinc/14/43/02/650144302.db2.gz JBABJSSVWIKBFL-ZIAGYGMSSA-N 2 0 340.468 -0.343 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC000911005288 650144644 /nfs/dbraw/zinc/14/46/44/650144644.db2.gz ZOABRYFGHKKBLT-GUYCJALGSA-N 2 0 338.452 -0.447 20 0 EBADRP CCC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000911002639 650144781 /nfs/dbraw/zinc/14/47/81/650144781.db2.gz CUQHXABDKNGMHY-KRWDZBQOSA-N 2 0 340.468 -0.463 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000911011623 650145227 /nfs/dbraw/zinc/14/52/27/650145227.db2.gz HJQRBGVLWZUICN-REBRKWNGSA-N 2 0 338.452 -0.796 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000911016515 650145782 /nfs/dbraw/zinc/14/57/82/650145782.db2.gz CQKYKBSBPWFACO-CQSZACIVSA-N 2 0 326.441 -0.576 20 0 EBADRP [NH3+]C1CCN(CCNC(=O)C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000911022388 650146108 /nfs/dbraw/zinc/14/61/08/650146108.db2.gz MMDCGLWPZUIPFF-UHFFFAOYSA-N 2 0 339.484 -0.482 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000911021961 650146146 /nfs/dbraw/zinc/14/61/46/650146146.db2.gz DXUBNRMISDZERD-AWEZNQCLSA-N 2 0 326.441 -0.575 20 0 EBADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000911022929 650146155 /nfs/dbraw/zinc/14/61/55/650146155.db2.gz PYHLVJBCLNNAGS-UHFFFAOYSA-N 2 0 339.484 -0.754 20 0 EBADRP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000911022115 650146377 /nfs/dbraw/zinc/14/63/77/650146377.db2.gz GEZQNLMVKSHIRH-MRXNPFEDSA-N 2 0 326.441 -0.709 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000911031400 650146697 /nfs/dbraw/zinc/14/66/97/650146697.db2.gz QKOIYIYHNNYMKP-PBHICJAKSA-N 2 0 337.468 -0.907 20 0 EBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000911053961 650147924 /nfs/dbraw/zinc/14/79/24/650147924.db2.gz FAKUJXZGCZLWPT-CJNGLKHVSA-N 2 0 326.441 -0.711 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000911145307 650153884 /nfs/dbraw/zinc/15/38/84/650153884.db2.gz DOKWEAMUEHZYGB-YUELXQCFSA-N 2 0 338.452 -0.578 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000911148280 650154449 /nfs/dbraw/zinc/15/44/49/650154449.db2.gz WEEDBZIKNUDNDY-KCQAQPDRSA-N 2 0 338.452 -0.435 20 0 EBADRP CC1CC[NH+](CCNC(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC000911162135 650155369 /nfs/dbraw/zinc/15/53/69/650155369.db2.gz PRZCVUVUCBYPHG-UHFFFAOYSA-N 2 0 339.484 -0.626 20 0 EBADRP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000911187339 650157576 /nfs/dbraw/zinc/15/75/76/650157576.db2.gz RYCOXCIBIHQCQB-WMLDXEAASA-N 2 0 338.452 -0.445 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000911194511 650158224 /nfs/dbraw/zinc/15/82/24/650158224.db2.gz OPAMWEXGUFZUEQ-ZDUSSCGKSA-N 2 0 326.441 -0.447 20 0 EBADRP O=C(NC1CC([NH+]2CCCCC2)C1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911193523 650158567 /nfs/dbraw/zinc/15/85/67/650158567.db2.gz BGTXNEHWJPJMMD-UHFFFAOYSA-N 2 0 337.468 -0.859 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CCSC1 ZINC000911198532 650159107 /nfs/dbraw/zinc/15/91/07/650159107.db2.gz HALQREFAGWUJCI-ABAIWWIYSA-N 2 0 328.482 -0.264 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC000911204350 650159626 /nfs/dbraw/zinc/15/96/26/650159626.db2.gz BGBBYSUQZUFOTR-JMJZKYOTSA-N 2 0 336.358 -0.067 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC000911206391 650159750 /nfs/dbraw/zinc/15/97/50/650159750.db2.gz DJVFUTCYDMBROL-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000911231550 650161379 /nfs/dbraw/zinc/16/13/79/650161379.db2.gz OFJCODYXCGEOHF-RHSMWYFYSA-N 2 0 340.468 -0.199 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000911232417 650161447 /nfs/dbraw/zinc/16/14/47/650161447.db2.gz VYQNJHNHKSYLOT-KRWDZBQOSA-N 2 0 340.468 -0.185 20 0 EBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911162426 650156006 /nfs/dbraw/zinc/15/60/06/650156006.db2.gz RIQAJKJFAVIXPT-CQSZACIVSA-N 2 0 339.484 -0.484 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000911269353 650164511 /nfs/dbraw/zinc/16/45/11/650164511.db2.gz JUCDFUDMPPCCRK-RBSFLKMASA-N 2 0 338.452 -0.434 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911268318 650164539 /nfs/dbraw/zinc/16/45/39/650164539.db2.gz CSJRIAZYNPCRSE-RBSFLKMASA-N 2 0 339.484 -0.900 20 0 EBADRP [NH3+]C1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000911269503 650164629 /nfs/dbraw/zinc/16/46/29/650164629.db2.gz LCGSPTSUXQBTQS-LSDHHAIUSA-N 2 0 337.468 -0.731 20 0 EBADRP C[C@H](CNC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1)C[NH+]1CCCC1 ZINC000911270306 650165064 /nfs/dbraw/zinc/16/50/64/650165064.db2.gz VLTOJXPYFKQCHR-CQSZACIVSA-N 2 0 340.468 -0.199 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)C[NH+](C)C ZINC000911278290 650165951 /nfs/dbraw/zinc/16/59/51/650165951.db2.gz ZHYWXTKECCXXQC-HZSPNIEDSA-N 2 0 328.457 -0.426 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1)C[NH+](C)C ZINC000911284913 650166842 /nfs/dbraw/zinc/16/68/42/650166842.db2.gz SONHIWZAKJWUAB-HUUCEWRRSA-N 2 0 336.436 -0.115 20 0 EBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911291674 650167364 /nfs/dbraw/zinc/16/73/64/650167364.db2.gz MRHDLZQRLJAVDU-QLFBSQMISA-N 2 0 340.468 -0.466 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000911293297 650167396 /nfs/dbraw/zinc/16/73/96/650167396.db2.gz DGSDFPZDOVJZQX-SMDDNHRTSA-N 2 0 349.435 -0.007 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911309483 650169619 /nfs/dbraw/zinc/16/96/19/650169619.db2.gz SOZABVYARMOXNG-CBBWQLFWSA-N 2 0 338.452 -0.842 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911309484 650169829 /nfs/dbraw/zinc/16/98/29/650169829.db2.gz SOZABVYARMOXNG-LXTVHRRPSA-N 2 0 338.452 -0.842 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911312968 650170318 /nfs/dbraw/zinc/17/03/18/650170318.db2.gz BNNOIYPJKYTYEU-XDQVBPFNSA-N 2 0 326.441 -0.714 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+](C)CC(C)C ZINC000911312834 650170377 /nfs/dbraw/zinc/17/03/77/650170377.db2.gz NGBCHBLZWSATLZ-AWEZNQCLSA-N 2 0 328.457 -0.473 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000911313168 650170582 /nfs/dbraw/zinc/17/05/82/650170582.db2.gz DEODZOODBASPDF-RUXDESIVSA-N 2 0 326.441 -0.578 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C[NH2+]1 ZINC000911347117 650173935 /nfs/dbraw/zinc/17/39/35/650173935.db2.gz JKFLCJKCMKKIPX-BARDWOONSA-N 2 0 338.452 -0.699 20 0 EBADRP CC1(C)CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[C@H]1[NH3+] ZINC000911336405 650172328 /nfs/dbraw/zinc/17/23/28/650172328.db2.gz IFQDBSQFMCAZHX-UONOGXRCSA-N 2 0 338.452 -0.448 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C[NH+](C)C ZINC000911357821 650174503 /nfs/dbraw/zinc/17/45/03/650174503.db2.gz JDQIFOJMLFVUFU-XGUBFFRZSA-N 2 0 340.468 -0.284 20 0 EBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCC3(F)F)C[C@]2(C)C1 ZINC000911368206 650175698 /nfs/dbraw/zinc/17/56/98/650175698.db2.gz OOQUDLCMUSUCDN-ZOWXZIJZSA-N 2 0 344.406 -0.243 20 0 EBADRP CC(C)([NH3+])CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911367436 650175929 /nfs/dbraw/zinc/17/59/29/650175929.db2.gz ZFGVRNUGOBMBJX-STQMWFEESA-N 2 0 326.441 -0.712 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)NCCN1CCC([NH3+])CC1)C(C)C ZINC000911412974 650180319 /nfs/dbraw/zinc/18/03/19/650180319.db2.gz QRKITUWBOQHYHU-UHFFFAOYSA-N 2 0 327.473 -0.628 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1)C[NH+](C)C ZINC000911436536 650184010 /nfs/dbraw/zinc/18/40/10/650184010.db2.gz VBEMNHQTJMVCER-JSGCOSHPSA-N 2 0 328.457 -0.345 20 0 EBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000911544735 650192034 /nfs/dbraw/zinc/19/20/34/650192034.db2.gz LJMMZYJQRWFCSE-CYBMUJFWSA-N 2 0 325.457 -0.942 20 0 EBADRP [NH3+]CCn1cc(Br)cc(C(=O)N2CC[NH2+]CC2)c1=O ZINC000911647144 650194978 /nfs/dbraw/zinc/19/49/78/650194978.db2.gz REAVDGNTYMKBFX-UHFFFAOYSA-N 2 0 329.198 -0.385 20 0 EBADRP CN(CC[N@H+](C)CCO)C(=O)c1cccn1CCN1CCOCC1 ZINC000912598987 650209191 /nfs/dbraw/zinc/20/91/91/650209191.db2.gz MTFSAKPNOMMMBR-UHFFFAOYSA-N 2 0 338.452 -0.184 20 0 EBADRP CCOC(=O)[C@@H]1CCCN(CC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000913351416 650232077 /nfs/dbraw/zinc/23/20/77/650232077.db2.gz GIRIIYABXNCSAU-KGLIPLIRSA-N 2 0 327.425 -0.556 20 0 EBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC(O)(C[NH+](C)C)CC2)CC1=O ZINC000913680390 650243026 /nfs/dbraw/zinc/24/30/26/650243026.db2.gz NFQCRANYGHGQLJ-AWEZNQCLSA-N 2 0 340.468 -0.688 20 0 EBADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COC[C@H]1CCCO1 ZINC000923343680 650338057 /nfs/dbraw/zinc/33/80/57/650338057.db2.gz FGMXXYPXFOXSTE-ARFHVFGLSA-N 2 0 343.468 -0.138 20 0 EBADRP C[C@@H]1C[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CC[C@H]1C[NH3+] ZINC000923496438 650342164 /nfs/dbraw/zinc/34/21/64/650342164.db2.gz IILOSHZXMGMJLA-OLZOCXBDSA-N 2 0 334.486 -0.699 20 0 EBADRP O=S(=O)(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000923639841 650349749 /nfs/dbraw/zinc/34/97/49/650349749.db2.gz VGEZGLGVMFICEM-GHMZBOCLSA-N 2 0 344.403 -0.506 20 0 EBADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923645496 650350544 /nfs/dbraw/zinc/35/05/44/650350544.db2.gz HFTVSQCTCJHEPI-ZIAGYGMSSA-N 2 0 332.470 -0.645 20 0 EBADRP O=S(=O)(NCc1ccncc1O[C@H]1CC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC000923669940 650351832 /nfs/dbraw/zinc/35/18/32/650351832.db2.gz MCDPTZUKLSSYSN-UONOGXRCSA-N 2 0 340.449 -0.006 20 0 EBADRP C[C@@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC[C@@H]1C[NH3+] ZINC000923704122 650353762 /nfs/dbraw/zinc/35/37/62/650353762.db2.gz STHLOUGVLTVISY-HUUCEWRRSA-N 2 0 332.514 -0.130 20 0 EBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000925168041 650374054 /nfs/dbraw/zinc/37/40/54/650374054.db2.gz GGATWFMWAHLTDZ-MGPQQGTHSA-N 2 0 328.482 -0.068 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C[C@H]1[NH3+] ZINC000926297487 650385111 /nfs/dbraw/zinc/38/51/11/650385111.db2.gz BJBRHSFCWNDAHH-UKRRQHHQSA-N 2 0 338.452 -0.637 20 0 EBADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)C1 ZINC000926329645 650386036 /nfs/dbraw/zinc/38/60/36/650386036.db2.gz GIGQHDYAHANZBW-KGLIPLIRSA-N 2 0 338.452 -0.495 20 0 EBADRP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000926322263 650386237 /nfs/dbraw/zinc/38/62/37/650386237.db2.gz VGQFILRAVXZYQD-HNNXBMFYSA-N 2 0 337.468 -0.905 20 0 EBADRP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000926332110 650386714 /nfs/dbraw/zinc/38/67/14/650386714.db2.gz JFAWIOOPCJWWIH-HNNXBMFYSA-N 2 0 337.468 -0.905 20 0 EBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000926353727 650388618 /nfs/dbraw/zinc/38/86/18/650388618.db2.gz LYFYVWSWGCWWCA-YOEHRIQHSA-N 2 0 340.468 -0.511 20 0 EBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000926381871 650390141 /nfs/dbraw/zinc/39/01/41/650390141.db2.gz YHXPXDUMBCUIDE-CZUORRHYSA-N 2 0 326.441 -0.760 20 0 EBADRP CCO[C@H](CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C[NH+](C)C ZINC000926848023 651496900 /nfs/dbraw/zinc/49/69/00/651496900.db2.gz QJGLAVGLHADEQC-CQSZACIVSA-N 2 0 343.472 -0.632 20 0 EBADRP CCO[C@@H](CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C[NH+](C)C ZINC000926848022 651497043 /nfs/dbraw/zinc/49/70/43/651497043.db2.gz QJGLAVGLHADEQC-AWEZNQCLSA-N 2 0 343.472 -0.632 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[C@@H]1C[NH3+] ZINC000927893555 651511397 /nfs/dbraw/zinc/51/13/97/651511397.db2.gz HSDBXYJSAZETIZ-QWHCGFSZSA-N 2 0 336.440 -0.174 20 0 EBADRP C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000929169822 651535731 /nfs/dbraw/zinc/53/57/31/651535731.db2.gz PXPIVIZFQMWHIB-CABCVRRESA-N 2 0 338.452 -0.746 20 0 EBADRP CS(=O)(=O)N1CC(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000929284102 651540446 /nfs/dbraw/zinc/54/04/46/651540446.db2.gz PJYGSNBOKULBCG-UHFFFAOYSA-N 2 0 331.482 -0.078 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO)C1CC1 ZINC000929712349 651560790 /nfs/dbraw/zinc/56/07/90/651560790.db2.gz MTWPJSPABURGGH-LSDHHAIUSA-N 2 0 338.452 -0.746 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)C[NH+](C)C ZINC000929748119 651563658 /nfs/dbraw/zinc/56/36/58/651563658.db2.gz NPGZXBGIMNIKQM-JSGCOSHPSA-N 2 0 326.441 -0.578 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC23CC[NH+](C)CC3)C1 ZINC000930008729 651576521 /nfs/dbraw/zinc/57/65/21/651576521.db2.gz GBALTZXWXFSQTI-AWEZNQCLSA-N 2 0 338.452 -0.480 20 0 EBADRP C[NH+](C)[C@@H]1[C@H]2CN(CC3(CN4C[C@H]5[C@@H](C4)[C@@H]5[NH+](C)C)COC3)C[C@H]21 ZINC000931278378 651628914 /nfs/dbraw/zinc/62/89/14/651628914.db2.gz AYJKIYUEICVIGI-HKCPWHJYSA-N 2 0 334.508 -0.013 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N(C)CC[NH+]1CCCC1)C[NH+](C)C ZINC000932466398 651680986 /nfs/dbraw/zinc/68/09/86/651680986.db2.gz AHEVNXKIUMCQSQ-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)C[NH+](C)C ZINC000932463661 651681027 /nfs/dbraw/zinc/68/10/27/651681027.db2.gz IIDYESXBYJEHSZ-JJRVBVJISA-N 2 0 340.468 -0.521 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000932955199 651703012 /nfs/dbraw/zinc/70/30/12/651703012.db2.gz QSQOMPNSWZRRNE-CQSZACIVSA-N 2 0 326.441 -0.624 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cncc(O)c1 ZINC000933115901 651716020 /nfs/dbraw/zinc/71/60/20/651716020.db2.gz JMJJQBPKGWBBGC-UHFFFAOYSA-N 2 0 337.424 -0.645 20 0 EBADRP C[C@H]1CN(CCS(C)(=O)=O)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944171094 652701233 /nfs/dbraw/zinc/70/12/33/652701233.db2.gz WFRHVSYIVGPBKT-UONOGXRCSA-N 2 0 343.493 -0.047 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCN(C2C[NH+](C[C@@H](C)O)C2)CC1)[NH+](C)C ZINC000941444432 652741275 /nfs/dbraw/zinc/74/12/75/652741275.db2.gz MATOVRZLPJBENM-ZBFHGGJFSA-N 2 0 326.485 -0.218 20 0 EBADRP O=C(N1CCN(C2C[NH+](CCCO)C2)CC1)C12CCC[NH+]1CCC2 ZINC000941475301 652759188 /nfs/dbraw/zinc/75/91/88/652759188.db2.gz OTVYHFPYWFIPFD-UHFFFAOYSA-N 2 0 336.480 -0.174 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000939549565 653004393 /nfs/dbraw/zinc/00/43/93/653004393.db2.gz BICMVWNVYTTXCW-CHWSQXEVSA-N 2 0 349.435 -0.930 20 0 EBADRP CC[C@@H](C(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC000944710823 653180071 /nfs/dbraw/zinc/18/00/71/653180071.db2.gz KBPMYTGAFVRRRA-SOUVJXGZSA-N 2 0 340.468 -0.236 20 0 EBADRP C[N@H+](CC(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1)C1CCC1 ZINC000946925040 653271547 /nfs/dbraw/zinc/27/15/47/653271547.db2.gz LQERLJULYSPWOH-CQSZACIVSA-N 2 0 338.452 -0.698 20 0 EBADRP CC(C)[C@H](C(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1)[NH+](C)C ZINC000946928000 653274878 /nfs/dbraw/zinc/27/48/78/653274878.db2.gz PJIOMEQWUMINAM-ZIAGYGMSSA-N 2 0 340.468 -0.596 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(O)(C[NH2+][C@H]3CCNC3=O)CC2)C1 ZINC000946929084 653276618 /nfs/dbraw/zinc/27/66/18/653276618.db2.gz ZGVMSEGNPOSGHD-KBPBESRZSA-N 2 0 338.452 -0.840 20 0 EBADRP CN1CC[C@@H]([NH2+]CC2(O)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000946932836 653277190 /nfs/dbraw/zinc/27/71/90/653277190.db2.gz NMXAAJJDYBPQTB-UONOGXRCSA-N 2 0 338.452 -0.888 20 0 EBADRP C[C@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@@H+]1C)CCO2 ZINC000949051246 653591369 /nfs/dbraw/zinc/59/13/69/653591369.db2.gz BMTSXTSFUPXNKR-ZIAGYGMSSA-N 2 0 338.452 -0.352 20 0 EBADRP Cn1nnnc1C[NH2+]C1CC2(CC(NC(=O)C[NH+]3CCCC3)C2)C1 ZINC000965922708 724540778 /nfs/dbraw/zinc/54/07/78/724540778.db2.gz GMSWOGGBVCNDOE-UHFFFAOYSA-N 2 0 333.440 -0.177 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000955352821 720139558 /nfs/dbraw/zinc/13/95/58/720139558.db2.gz YKKRAVIXTLDKNT-HIFRSBDPSA-N 2 0 334.464 -0.051 20 0 EBADRP Cn1cc(C[N@@H+]2C[C@@H](O)[C@@H](CNC(=O)C34CCC[NH+]3CCC4)C2)cn1 ZINC000958214585 722328434 /nfs/dbraw/zinc/32/84/34/722328434.db2.gz JTECBIFVJCKFSM-JKSUJKDBSA-N 2 0 347.463 -0.043 20 0 EBADRP Cn1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CN(C)CCO2)cc1=O ZINC000958469999 722371957 /nfs/dbraw/zinc/37/19/57/722371957.db2.gz QAMNRHFFINHQAB-DLTWYDFYSA-N 2 0 346.431 -0.738 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958595070 722398518 /nfs/dbraw/zinc/39/85/18/722398518.db2.gz PCZZHVITNWLTLQ-HUUCEWRRSA-N 2 0 333.436 -0.612 20 0 EBADRP CC[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1)[NH+](C)C ZINC000958850335 722617866 /nfs/dbraw/zinc/61/78/66/722617866.db2.gz WNEBYZZOYQLANY-QPSCCSFWSA-N 2 0 340.468 -0.692 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCN4CCCC4=O)C[C@H]32)CC[N@@H+]1C ZINC000959968044 722778585 /nfs/dbraw/zinc/77/85/85/722778585.db2.gz RFNJXWPLVQGATP-NPCUJANDSA-N 2 0 334.464 -0.005 20 0 EBADRP O=C(N1CCCC[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O)C12CC[NH+](CC1)C2 ZINC000960187713 722804754 /nfs/dbraw/zinc/80/47/54/722804754.db2.gz HVRRUYQAPWJEAG-UONOGXRCSA-N 2 0 348.447 -0.142 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)nc1=O ZINC000960187995 722804778 /nfs/dbraw/zinc/80/47/78/722804778.db2.gz JOBNHCXMKLCLGE-ZDUSSCGKSA-N 2 0 348.451 -0.325 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCN2CCCS2(=O)=O)C1)[NH+](C)C ZINC001019032322 728777091 /nfs/dbraw/zinc/77/70/91/728777091.db2.gz PVOFMAQPVOVLNZ-UONOGXRCSA-N 2 0 346.497 -0.447 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001019044700 728780671 /nfs/dbraw/zinc/78/06/71/728780671.db2.gz YDLCYILXPHVKMW-GJZGRUSLSA-N 2 0 338.452 -0.480 20 0 EBADRP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000962008803 723145193 /nfs/dbraw/zinc/14/51/93/723145193.db2.gz HQZPXGDEJDAMKP-BARDWOONSA-N 2 0 348.451 -0.631 20 0 EBADRP Cn1[nH]c(C[NH2+]CC2CC(NC(=O)C34CCC[NH+]3CCC4)C2)nc1=O ZINC000962032087 723152974 /nfs/dbraw/zinc/15/29/74/723152974.db2.gz BCYLJWXFFMCWLY-UHFFFAOYSA-N 2 0 348.451 -0.279 20 0 EBADRP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000962301278 723221619 /nfs/dbraw/zinc/22/16/19/723221619.db2.gz WFEGZHSNCAWVNV-RZFFKMDDSA-N 2 0 332.448 -0.204 20 0 EBADRP Cn1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[NH+](C)C2)cc1=O ZINC000962555374 723283515 /nfs/dbraw/zinc/28/35/15/723283515.db2.gz PBTXVORPHLPELG-LJIGWXMPSA-N 2 0 330.432 -0.117 20 0 EBADRP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001019151374 728809540 /nfs/dbraw/zinc/80/95/40/728809540.db2.gz WVPALLIPRBKURV-JSGCOSHPSA-N 2 0 341.371 -0.056 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1)[NH+](C)C ZINC000963473898 723431251 /nfs/dbraw/zinc/43/12/51/723431251.db2.gz QSMDQVNUYVSGAY-MCIONIFRSA-N 2 0 326.441 -0.890 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963486722 723433556 /nfs/dbraw/zinc/43/35/56/723433556.db2.gz OLPZOGYTAPJNAG-KFWWJZLASA-N 2 0 338.452 -0.746 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963498590 723434889 /nfs/dbraw/zinc/43/48/89/723434889.db2.gz LIPRNHCKDZGHJL-KFWWJZLASA-N 2 0 338.452 -0.746 20 0 EBADRP Cn1nnnc1C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000963624770 723458235 /nfs/dbraw/zinc/45/82/35/723458235.db2.gz NXPAHGIZUKIKPE-KSISSFPLSA-N 2 0 333.440 -0.179 20 0 EBADRP Cn1cncc1CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000964117925 723816375 /nfs/dbraw/zinc/81/63/75/723816375.db2.gz GCLXJVRLQMJCBN-LSDHHAIUSA-N 2 0 349.435 -0.600 20 0 EBADRP Cc1nccn1CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000964130732 723826520 /nfs/dbraw/zinc/82/65/20/723826520.db2.gz UZBPIPLKCYOMTJ-GJZGRUSLSA-N 2 0 349.435 -0.371 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001019380985 728875126 /nfs/dbraw/zinc/87/51/26/728875126.db2.gz UYTZTUPKOFKAOH-GJZGRUSLSA-N 2 0 338.452 -0.480 20 0 EBADRP CN1CC[C@H]([NH2+][C@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)C2)C1=O ZINC001019496892 728900943 /nfs/dbraw/zinc/90/09/43/728900943.db2.gz DYAPFYUXHZOOAF-GJZGRUSLSA-N 2 0 348.451 -0.521 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC000968701941 725105504 /nfs/dbraw/zinc/10/55/04/725105504.db2.gz BAVMSOVLZLKMQA-HUUCEWRRSA-N 2 0 335.452 -0.456 20 0 EBADRP Cn1cncc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@@H]1O ZINC000969076412 725148480 /nfs/dbraw/zinc/14/84/80/725148480.db2.gz VNWYIONQNGSKFO-ILXRZTDVSA-N 2 0 349.435 -0.865 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)[NH+](C)C ZINC000969077295 725148647 /nfs/dbraw/zinc/14/86/47/725148647.db2.gz PBOYCCSNUMTIBW-BFHYXJOUSA-N 2 0 331.482 -0.048 20 0 EBADRP CCN1CCO[C@H](C(=O)NC[C@H]2CCCCCN2CC(=O)NC)C1 ZINC000969153396 725156854 /nfs/dbraw/zinc/15/68/54/725156854.db2.gz GUYUMRDEVUSAPO-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@@H]1O ZINC000969547256 725191660 /nfs/dbraw/zinc/19/16/60/725191660.db2.gz MAGFZISIVZHSSO-KBXIAJHMSA-N 2 0 338.452 -0.747 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC000969595212 725195869 /nfs/dbraw/zinc/19/58/69/725195869.db2.gz PBZHATLDDVEAQW-MGPQQGTHSA-N 2 0 329.466 -0.294 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC000970482619 725295359 /nfs/dbraw/zinc/29/53/59/725295359.db2.gz XJVYSJRHIOJXTD-QWHCGFSZSA-N 2 0 337.424 -0.930 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC000970717191 725320178 /nfs/dbraw/zinc/32/01/78/725320178.db2.gz KQYYKWIOKOWWSA-ZIAGYGMSSA-N 2 0 329.466 -0.293 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC000976266449 726245595 /nfs/dbraw/zinc/24/55/95/726245595.db2.gz GEJBZCXHHKURFY-NRKLIOEPSA-N 2 0 346.475 -0.005 20 0 EBADRP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000976278884 726251374 /nfs/dbraw/zinc/25/13/74/726251374.db2.gz KUUGOIFOIANMGW-GAGVYUBLSA-N 2 0 334.464 -0.005 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000976286587 726254543 /nfs/dbraw/zinc/25/45/43/726254543.db2.gz QWEXWTNOCYGMMI-DGADGQDISA-N 2 0 334.464 -0.006 20 0 EBADRP CC1(C)CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@@H]1[NH2+]CC(N)=O ZINC000996069478 726329076 /nfs/dbraw/zinc/32/90/76/726329076.db2.gz JNNDXACGCYLMJC-HASVCBABSA-N 2 0 336.436 -0.839 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)C1 ZINC000976540232 726340254 /nfs/dbraw/zinc/34/02/54/726340254.db2.gz NOHAXLAVUKDGIU-BYNSBNAKSA-N 2 0 332.448 -0.393 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2C[C@H]([NH2+]CC(N)=O)C(C)(C)C2)cn1 ZINC000996403274 726387742 /nfs/dbraw/zinc/38/77/42/726387742.db2.gz VBAQCEOSQYDJRI-ZDUSSCGKSA-N 2 0 336.440 -0.630 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CC[NH+](C)CC2)C1 ZINC000976761355 726409168 /nfs/dbraw/zinc/40/91/68/726409168.db2.gz PKGYPBZWNKTJKH-CAOSSQGBSA-N 2 0 334.464 -0.147 20 0 EBADRP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000996821714 726428795 /nfs/dbraw/zinc/42/87/95/726428795.db2.gz HXGUMMSLDDESSK-TYTGLVAOSA-N 2 0 348.447 -0.681 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC([NH2+][C@H]3CCC(=O)NC3=O)CC2)C1 ZINC000997181935 726440307 /nfs/dbraw/zinc/44/03/07/726440307.db2.gz CRXYVJVMFDUGAX-OCCSQVGLSA-N 2 0 336.436 -0.286 20 0 EBADRP O=C(N1CCC([NH2+]CCN2C(=O)CNC2=O)CC1)C12CC[NH+](CC1)C2 ZINC000997189754 726440414 /nfs/dbraw/zinc/44/04/14/726440414.db2.gz UTDINEPYSHUNLO-UHFFFAOYSA-N 2 0 349.435 -0.785 20 0 EBADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1)C(N)=O ZINC000997313004 726445874 /nfs/dbraw/zinc/44/58/74/726445874.db2.gz MEFXJNBXXUKFFB-QWHCGFSZSA-N 2 0 326.441 -0.591 20 0 EBADRP Cn1nnnc1C[NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000997831633 726466936 /nfs/dbraw/zinc/46/69/36/726466936.db2.gz WEXHYIDKFKEQEG-HNNXBMFYSA-N 2 0 335.456 -0.122 20 0 EBADRP CC[C@H](C(=O)N1CCC(C[NH2+][C@H]2CCC(=O)NC2=O)CC1)[NH+](C)C ZINC000997854394 726467344 /nfs/dbraw/zinc/46/73/44/726467344.db2.gz CWFFWOZMNWOGRN-UONOGXRCSA-N 2 0 338.452 -0.040 20 0 EBADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000998550533 726490614 /nfs/dbraw/zinc/49/06/14/726490614.db2.gz MVOLZIGDYQFNTH-BPCQOVAHSA-N 2 0 337.424 -0.789 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000998730586 726496129 /nfs/dbraw/zinc/49/61/29/726496129.db2.gz KCLGKVCWRFIQRO-STQMWFEESA-N 2 0 337.424 -0.787 20 0 EBADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC([NH2+]CCN2CCNC2=O)C1 ZINC000998779921 726497633 /nfs/dbraw/zinc/49/76/33/726497633.db2.gz KGMXPYNOUQSVNB-GPANFISMSA-N 2 0 349.479 -0.068 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCN2CCNC2=O)C1)C1CC1 ZINC000999363074 726516331 /nfs/dbraw/zinc/51/63/31/726516331.db2.gz BYYUPAPHPMVOCQ-GJZGRUSLSA-N 2 0 337.468 -0.068 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1)C(N)=O ZINC000999493940 726520838 /nfs/dbraw/zinc/52/08/38/726520838.db2.gz NOQTVKVLFVFOFW-KGLIPLIRSA-N 2 0 340.468 -0.201 20 0 EBADRP Cn1nnnc1CN[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999596275 726523976 /nfs/dbraw/zinc/52/39/76/726523976.db2.gz KQYJYNOGXIPSMS-ZDUSSCGKSA-N 2 0 333.440 -0.081 20 0 EBADRP CN1CCO[C@@H](C(=O)NCc2cn([C@@H]3CCN(CCF)C3)nn2)C1 ZINC000999975240 726546345 /nfs/dbraw/zinc/54/63/45/726546345.db2.gz QFQRIOOEXHZSCK-ZIAGYGMSSA-N 2 0 340.403 -0.559 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCc2cn([C@H]3CC[NH+](CCO)C3)nn2)CC[N@@H+]1C ZINC000999988371 726547739 /nfs/dbraw/zinc/54/77/39/726547739.db2.gz UJWXJCCDXRPWBA-VHDGCEQUSA-N 2 0 336.440 -0.526 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1=CC[NH+](CCN2CCNC2=O)CC1 ZINC001000521971 726569557 /nfs/dbraw/zinc/56/95/57/726569557.db2.gz OZDHKYCMWOGELE-OAHLLOKOSA-N 2 0 335.452 -0.146 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001000688658 726575215 /nfs/dbraw/zinc/57/52/15/726575215.db2.gz LUKQLRLUDSXJAS-HUUCEWRRSA-N 2 0 337.468 -0.066 20 0 EBADRP O=C(NCC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1)C12CC[NH+](CC1)C2 ZINC001002043533 726630630 /nfs/dbraw/zinc/63/06/30/726630630.db2.gz QWZPROIMPSYHGM-CQSZACIVSA-N 2 0 348.447 -0.284 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001003160435 726662456 /nfs/dbraw/zinc/66/24/56/726662456.db2.gz POOLDVBSFZLZBF-ZIAGYGMSSA-N 2 0 336.436 -0.144 20 0 EBADRP O=C(NC1CC[NH+](CCN2C(=O)CNC2=O)CC1)C12CC[NH+](CC1)C2 ZINC001003984993 726696766 /nfs/dbraw/zinc/69/67/66/726696766.db2.gz JFORAVHOVBBMSP-UHFFFAOYSA-N 2 0 349.435 -0.785 20 0 EBADRP CN(C(=O)C12CC[NH+](CC1)C2)C1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001006297718 726762201 /nfs/dbraw/zinc/76/22/01/726762201.db2.gz GIPRXDKLZCMPNH-AWEZNQCLSA-N 2 0 348.447 -0.190 20 0 EBADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCN2CCNC2=O)CC1 ZINC001006401577 726767815 /nfs/dbraw/zinc/76/78/15/726767815.db2.gz SLJNDZQJPSRTKY-CQSZACIVSA-N 2 0 337.468 -0.114 20 0 EBADRP CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CCO2)C1=O ZINC001051902984 735455152 /nfs/dbraw/zinc/45/51/52/735455152.db2.gz NTTCDKLDXQQSAY-ZIAGYGMSSA-N 2 0 336.436 -0.870 20 0 EBADRP Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001051904153 735455690 /nfs/dbraw/zinc/45/56/90/735455690.db2.gz CLNXTUQTANEHDY-CQSZACIVSA-N 2 0 334.424 -0.772 20 0 EBADRP Cn1nccc1C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001051905137 735456278 /nfs/dbraw/zinc/45/62/78/735456278.db2.gz ZDSGFFRPTTYFLR-OAHLLOKOSA-N 2 0 333.436 -0.167 20 0 EBADRP COc1nccc(C[NH2+]C[C@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)n1 ZINC001051933618 735471927 /nfs/dbraw/zinc/47/19/27/735471927.db2.gz JUVDJUXLCCVEPY-HNNXBMFYSA-N 2 0 349.435 -0.102 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC001014482218 727960700 /nfs/dbraw/zinc/96/07/00/727960700.db2.gz DJHMPCRXNMNVFG-FRRDWIJNSA-N 2 0 337.424 -0.931 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@@H](N2CC[NH+](CCO)CC2)C1 ZINC001052027611 735511194 /nfs/dbraw/zinc/51/11/94/735511194.db2.gz HTQRFIAZFLSXBX-SJORKVTESA-N 2 0 336.480 -0.461 20 0 EBADRP C[NH+]1CCC(C(=O)N2CC[C@@H](N3CC[NH+](CCCO)CC3)C2)CC1 ZINC001052072790 735533205 /nfs/dbraw/zinc/53/32/05/735533205.db2.gz CCUGDBVPTFYNEW-QGZVFWFLSA-N 2 0 338.496 -0.071 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@H]([NH2+]CCn3cncn3)C2)n1 ZINC001018860294 728695928 /nfs/dbraw/zinc/69/59/28/728695928.db2.gz AVRYJPSNYAYAMY-AWEZNQCLSA-N 2 0 346.439 -0.460 20 0 EBADRP O=C(N[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001020161962 729088574 /nfs/dbraw/zinc/08/85/74/729088574.db2.gz VDUWEQRZIHVRGX-XDQVBPFNSA-N 2 0 334.420 -0.630 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001020302896 729127129 /nfs/dbraw/zinc/12/71/29/729127129.db2.gz WNRCVKBQAQTMQW-JHJVBQTASA-N 2 0 337.424 -0.741 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1)C(N)=O ZINC001020381584 729152410 /nfs/dbraw/zinc/15/24/10/729152410.db2.gz PPQSKXCYXYNDNT-SRVKXCTJSA-N 2 0 328.376 -0.009 20 0 EBADRP Cc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)[nH]1 ZINC001020407006 729160553 /nfs/dbraw/zinc/16/05/53/729160553.db2.gz KASVRXFNPLLFRM-DEWJTKQSSA-N 2 0 346.435 -0.287 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001020588843 729205661 /nfs/dbraw/zinc/20/56/61/729205661.db2.gz ODJNMHYVZCTYHU-RBSFLKMASA-N 2 0 338.452 -0.576 20 0 EBADRP Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001020721159 729223400 /nfs/dbraw/zinc/22/34/00/729223400.db2.gz MYEDNMPIXPMLTM-HDJSIYSDSA-N 2 0 346.439 -0.376 20 0 EBADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCO)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001021328940 729305730 /nfs/dbraw/zinc/30/57/30/729305730.db2.gz NCLVFBBMDJAKJV-QNUXYTHOSA-N 2 0 335.448 -0.047 20 0 EBADRP O=C(N[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001022090213 729453448 /nfs/dbraw/zinc/45/34/48/729453448.db2.gz VDUWEQRZIHVRGX-RQJABVFESA-N 2 0 334.420 -0.630 20 0 EBADRP O=C(N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001022090026 729453471 /nfs/dbraw/zinc/45/34/71/729453471.db2.gz RUZUFJJXWQLCQR-QLFBSQMISA-N 2 0 348.447 -0.286 20 0 EBADRP O=C(C[NH2+][C@@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1)N1CCC1 ZINC001022121410 729457684 /nfs/dbraw/zinc/45/76/84/729457684.db2.gz BYCNGPRXJNXGAN-BARDWOONSA-N 2 0 336.436 -0.681 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1)C(N)=O ZINC001022195575 729465378 /nfs/dbraw/zinc/46/53/78/729465378.db2.gz DIGOYUUPZFKGHB-XPCVCDNBSA-N 2 0 338.452 -0.260 20 0 EBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1)C(N)=O ZINC001022455633 729496019 /nfs/dbraw/zinc/49/60/19/729496019.db2.gz XJUSIPHQMPTLFO-WAVPBHNRSA-N 2 0 336.436 -0.650 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)nc1=O ZINC001022838474 729536528 /nfs/dbraw/zinc/53/65/28/729536528.db2.gz PHUCCLXAHHAZIL-CRWXNKLISA-N 2 0 348.451 -0.138 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)nc1=O ZINC001022838476 729536698 /nfs/dbraw/zinc/53/66/98/729536698.db2.gz PHUCCLXAHHAZIL-RQJABVFESA-N 2 0 348.451 -0.138 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnc4n3CCOC4)C2)C1 ZINC001022973322 729567592 /nfs/dbraw/zinc/56/75/92/729567592.db2.gz HEYQBKLEBDGOFR-MCIONIFRSA-N 2 0 348.451 -0.113 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@@H](NCc2nnn(C)n2)C1 ZINC001022984712 729570840 /nfs/dbraw/zinc/57/08/40/729570840.db2.gz LQKYYQUOFOEKAQ-PHIMTYICSA-N 2 0 330.396 -0.278 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnc4n3CCOC4)C2)C1 ZINC001023084574 729598192 /nfs/dbraw/zinc/59/81/92/729598192.db2.gz TYBMXMVSLIRAHK-UPJWGTAASA-N 2 0 334.424 -0.503 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)C[NH+]3CCCC3)C2)CCO1 ZINC001023090810 729599597 /nfs/dbraw/zinc/59/95/97/729599597.db2.gz ZNOCYFIZTPLCQX-KFWWJZLASA-N 2 0 338.452 -0.434 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001023793193 729799572 /nfs/dbraw/zinc/79/95/72/729799572.db2.gz ASOVYVJIJINPIM-RBSFLKMASA-N 2 0 338.452 -0.888 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001024018932 729829723 /nfs/dbraw/zinc/82/97/23/729829723.db2.gz URBTYXUOFMGRFK-WFASDCNBSA-N 2 0 335.456 -0.122 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001024018931 729829817 /nfs/dbraw/zinc/82/98/17/729829817.db2.gz URBTYXUOFMGRFK-SWLSCSKDSA-N 2 0 335.456 -0.122 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001024018930 729829887 /nfs/dbraw/zinc/82/98/87/729829887.db2.gz URBTYXUOFMGRFK-IUODEOHRSA-N 2 0 335.456 -0.122 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001024238425 729864897 /nfs/dbraw/zinc/86/48/97/729864897.db2.gz LGOLXVQHATXLDW-ZDUSSCGKSA-N 2 0 333.440 -0.366 20 0 EBADRP CN1CCC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+]3CCC2CC3)C1=O ZINC001025787511 730088489 /nfs/dbraw/zinc/08/84/89/730088489.db2.gz MXVOVZXVHBIOSX-FIDHJVLJSA-N 2 0 346.475 -0.005 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21)[C@H]1C[NH+]2CCC1CC2 ZINC001025787574 730088520 /nfs/dbraw/zinc/08/85/20/730088520.db2.gz UWAUBJSSTXBVFS-AALSBFMBSA-N 2 0 332.448 -0.347 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]21)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908439 730104709 /nfs/dbraw/zinc/10/47/09/730104709.db2.gz NHSPPDPQITXHFU-LNNSNTBGSA-N 2 0 347.459 -0.068 20 0 EBADRP CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC[NH+](C)C2)C1=O ZINC001026140354 730124326 /nfs/dbraw/zinc/12/43/26/730124326.db2.gz IQFSNRLVQQQMPA-GAGVYUBLSA-N 2 0 334.464 -0.005 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)nc1=O ZINC001026593376 730151769 /nfs/dbraw/zinc/15/17/69/730151769.db2.gz MCWCBSDUKIFSHP-UHFFFAOYSA-N 2 0 348.451 -0.279 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)nc1=O ZINC001026605546 730152305 /nfs/dbraw/zinc/15/23/05/730152305.db2.gz SSZFLJNBAIEMMY-HIFPTAJRSA-N 2 0 336.440 -0.423 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001026734554 730156711 /nfs/dbraw/zinc/15/67/11/730156711.db2.gz PGVSBALEJOCBPI-UONOGXRCSA-N 2 0 348.451 -0.159 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)nc1=O ZINC001026886329 730166960 /nfs/dbraw/zinc/16/69/60/730166960.db2.gz VONRDWXDJVBTBO-GFCCVEGCSA-N 2 0 336.440 -0.469 20 0 EBADRP C[C@@H]([NH2+]C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)c1nnnn1C ZINC001027173258 730194852 /nfs/dbraw/zinc/19/48/52/730194852.db2.gz NJRIMVNVDJMJJZ-CHWSQXEVSA-N 2 0 333.440 -0.195 20 0 EBADRP C[N@@H+]([C@@H]1CCC(=O)NC1=O)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001027681433 730233882 /nfs/dbraw/zinc/23/38/82/730233882.db2.gz WYFTTYKGSAHWHE-UONOGXRCSA-N 2 0 336.436 -0.190 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCN2C(=O)CNC2=O)C1 ZINC001028314387 730282788 /nfs/dbraw/zinc/28/27/88/730282788.db2.gz TXQLWLSTVSBGIO-STQMWFEESA-N 2 0 337.424 -0.930 20 0 EBADRP O=C(NC[C@@H]1CC[N@H+](CCN2CCNC2=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001028545434 730311674 /nfs/dbraw/zinc/31/16/74/730311674.db2.gz QCAUTXXABWJOCF-HOCLYGCPSA-N 2 0 349.479 -0.209 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028699281 730341899 /nfs/dbraw/zinc/34/18/99/730341899.db2.gz WLANUUCBSPFSIJ-ZBUZPQQSSA-N 2 0 336.436 -0.966 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001028778881 730355880 /nfs/dbraw/zinc/35/58/80/730355880.db2.gz NNQDTXVMUQVRBL-OCCSQVGLSA-N 2 0 336.436 -0.429 20 0 EBADRP CCN1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3[C@@H]2CCNC2=O)C1 ZINC001029591708 730412365 /nfs/dbraw/zinc/41/23/65/730412365.db2.gz IQXRTGYGDDCIAH-BARDWOONSA-N 2 0 336.436 -0.729 20 0 EBADRP Cn1[nH]c(C[N@H+](C)C[C@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)nc1=O ZINC001029902672 730522656 /nfs/dbraw/zinc/52/26/56/730522656.db2.gz UUBIDVPUVQBPQZ-OLZOCXBDSA-N 2 0 336.440 -0.660 20 0 EBADRP O=C(NCC1C[NH+](CCN2CCNC2=O)C1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001031668953 730748271 /nfs/dbraw/zinc/74/82/71/730748271.db2.gz UCIWXUKYRMNDOX-HOTGVXAUSA-N 2 0 349.479 -0.066 20 0 EBADRP Cn1cc(CC[NH+]2CC(CNC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)cn1 ZINC001031688350 730750821 /nfs/dbraw/zinc/75/08/21/730750821.db2.gz DGPRQQWMDCLWGC-DLBZAZTESA-N 2 0 347.463 -0.126 20 0 EBADRP O=C(NCC1C[NH+](CCCN2C(=O)CNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001032131748 730816826 /nfs/dbraw/zinc/81/68/26/730816826.db2.gz STTYGYSQOQDPKL-UHFFFAOYSA-N 2 0 349.435 -0.928 20 0 EBADRP CN1CCC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C23CC[NH+](CC2)C3)C1=O ZINC001032734064 730921405 /nfs/dbraw/zinc/92/14/05/730921405.db2.gz VCLVHIVRPITOOF-SOUVJXGZSA-N 2 0 332.448 -0.012 20 0 EBADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001033592502 731045120 /nfs/dbraw/zinc/04/51/20/731045120.db2.gz HWICZXSIKQHULF-AWEZNQCLSA-N 2 0 348.447 -0.236 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC001034792041 731157396 /nfs/dbraw/zinc/15/73/96/731157396.db2.gz CSKHIJAFARPYEH-AAVRWANBSA-N 2 0 336.436 -0.240 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CCCN2C(=O)C23CCC[NH+]2CCC3)nc1=O ZINC001034982628 731172555 /nfs/dbraw/zinc/17/25/55/731172555.db2.gz ZRYZTLOEIDOVEV-CYBMUJFWSA-N 2 0 348.451 -0.183 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001035020303 731177904 /nfs/dbraw/zinc/17/79/04/731177904.db2.gz ULNOJYRBKWXKST-RDBSUJKOSA-N 2 0 336.436 -0.144 20 0 EBADRP O=C(NC[C@@H]1CC[N@H+]1C[C@H](O)Cn1cccn1)C12CC[NH+](CC1)C2 ZINC001038922571 731393292 /nfs/dbraw/zinc/39/32/92/731393292.db2.gz XPNAWQXDNIJLIX-GJZGRUSLSA-N 2 0 333.436 -0.470 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039760763 731524202 /nfs/dbraw/zinc/52/42/02/731524202.db2.gz SNEYINIZSYREIB-WMLDXEAASA-N 2 0 340.468 -0.641 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001039760896 731524872 /nfs/dbraw/zinc/52/48/72/731524872.db2.gz VFKUZNJHWINELI-YOEHRIQHSA-N 2 0 340.468 -0.641 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001039763774 731525983 /nfs/dbraw/zinc/52/59/83/731525983.db2.gz KEPKQPMBSOPJMU-PBHICJAKSA-N 2 0 338.452 -0.744 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)C[NH+](CC)CC)C1 ZINC001039785835 731533526 /nfs/dbraw/zinc/53/35/26/731533526.db2.gz MHWIAHJALBPEMF-KRWDZBQOSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](CC)[NH+](C)C)C1)[NH+](C)C ZINC001040203517 731642646 /nfs/dbraw/zinc/64/26/46/731642646.db2.gz YUIBJUMEQWBMOW-CPUCHLNUSA-N 2 0 342.484 -0.254 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001040213943 731647492 /nfs/dbraw/zinc/64/74/92/731647492.db2.gz CWYZUDUGVUCBBR-KRWDZBQOSA-N 2 0 340.468 -0.641 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)CC)C1 ZINC001040448593 731737964 /nfs/dbraw/zinc/73/79/64/731737964.db2.gz AVKIYHOMPAIQJR-KRWDZBQOSA-N 2 0 342.484 -0.250 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001040494210 731757959 /nfs/dbraw/zinc/75/79/59/731757959.db2.gz CBOPHZCWMWLHJG-RHSMWYFYSA-N 2 0 340.468 -0.498 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001040494973 731758402 /nfs/dbraw/zinc/75/84/02/731758402.db2.gz HEIQPPQMNREVIT-RHSMWYFYSA-N 2 0 340.468 -0.500 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001040495564 731759027 /nfs/dbraw/zinc/75/90/27/731759027.db2.gz OEKCAMWWUMEJCX-PBHICJAKSA-N 2 0 338.452 -0.744 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040716988 731845444 /nfs/dbraw/zinc/84/54/44/731845444.db2.gz AAFCBKRRRVAFFJ-KRWDZBQOSA-N 2 0 342.484 -0.250 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040797404 731878773 /nfs/dbraw/zinc/87/87/73/731878773.db2.gz FYYWNLXHAPEPRS-YOEHRIQHSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040902020 731911449 /nfs/dbraw/zinc/91/14/49/731911449.db2.gz OORIYMIFLOOHED-INIZCTEOSA-N 2 0 328.457 -0.641 20 0 EBADRP NC(=O)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC001041487733 732139700 /nfs/dbraw/zinc/13/97/00/732139700.db2.gz DDZCCDPAZYURJD-VLNFIEOWSA-N 2 0 348.447 -0.741 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042098113 732308570 /nfs/dbraw/zinc/30/85/70/732308570.db2.gz NIJBGIKXAJJWQT-ZDUSSCGKSA-N 2 0 326.441 -0.888 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001042104911 732318012 /nfs/dbraw/zinc/31/80/12/732318012.db2.gz UISSJRDDTMDGSL-CYBMUJFWSA-N 2 0 338.452 -0.888 20 0 EBADRP CC[C@H](C(=O)N1CCOC[C@@H]1CNC(=O)C[NH+]1CCCC1)[NH+](C)C ZINC001061598681 738638809 /nfs/dbraw/zinc/63/88/09/738638809.db2.gz CGMQAPUXMRQNDS-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001061602631 738643313 /nfs/dbraw/zinc/64/33/13/738643313.db2.gz MRXYVGFTRYSMSQ-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001043160202 732796744 /nfs/dbraw/zinc/79/67/44/732796744.db2.gz YMRHXXXOLJCUBE-UHFFFAOYSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)C1(C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)CCC1 ZINC001043454948 732949448 /nfs/dbraw/zinc/94/94/48/732949448.db2.gz KIZGILQIKYRGEZ-UHFFFAOYSA-N 2 0 338.452 -0.744 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001043461105 732952168 /nfs/dbraw/zinc/95/21/68/732952168.db2.gz BSLQLNADPBGXRF-HNNXBMFYSA-N 2 0 340.468 -0.642 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001061651438 738672129 /nfs/dbraw/zinc/67/21/29/738672129.db2.gz PKIMYDJGNXEVIC-HUUCEWRRSA-N 2 0 340.468 -0.236 20 0 EBADRP CC[C@H](C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1)[NH+](C)C ZINC001043679386 733056689 /nfs/dbraw/zinc/05/66/89/733056689.db2.gz ZSKWDYJGTHOIFA-ZIAGYGMSSA-N 2 0 340.468 -0.500 20 0 EBADRP CC[C@H](C(=O)NCC1(O)CN(C(=O)C[N@H+](C)C2CCC2)C1)[NH+](C)C ZINC001043681085 733057547 /nfs/dbraw/zinc/05/75/47/733057547.db2.gz IVRFBNTTXMCWRT-CQSZACIVSA-N 2 0 340.468 -0.500 20 0 EBADRP CC[C@@H](C(=O)N1CC(O)(CNC(=O)C2CC[NH+](C)CC2)C1)[NH+](C)C ZINC001043709377 733070459 /nfs/dbraw/zinc/07/04/59/733070459.db2.gz WJTSIVQQDICUHX-AWEZNQCLSA-N 2 0 340.468 -0.642 20 0 EBADRP Cc1cncn1CC(=O)NCC1(O)CN(C(=O)CCn2ccnc2)C1 ZINC001043910064 733193341 /nfs/dbraw/zinc/19/33/41/733193341.db2.gz OAVXDXLAJSOJPT-UHFFFAOYSA-N 2 0 346.391 -0.832 20 0 EBADRP CC[C@H](C(=O)N1CC(O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1)[NH+](C)C ZINC001044007185 733241751 /nfs/dbraw/zinc/24/17/51/733241751.db2.gz HFMRUCISXIATMW-ZIAGYGMSSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[C@H](C(=O)N1CC(O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1)[NH+](C)C ZINC001044007184 733241789 /nfs/dbraw/zinc/24/17/89/733241789.db2.gz HFMRUCISXIATMW-UONOGXRCSA-N 2 0 340.468 -0.642 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001044041282 733258116 /nfs/dbraw/zinc/25/81/16/733258116.db2.gz GMIDHBRGRAZTEL-ZDUSSCGKSA-N 2 0 328.457 -0.642 20 0 EBADRP CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC001044041298 733258124 /nfs/dbraw/zinc/25/81/24/733258124.db2.gz GQOKETAPMJZRDO-STQMWFEESA-N 2 0 326.441 -0.890 20 0 EBADRP C[NH+](C)CCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001044251394 733340424 /nfs/dbraw/zinc/34/04/24/733340424.db2.gz KECLTGVARHTNRR-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001044251982 733341131 /nfs/dbraw/zinc/34/11/31/733341131.db2.gz WEDZZSPBUNHPFK-UHFFFAOYSA-N 2 0 342.484 -0.252 20 0 EBADRP CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC001044287951 733357575 /nfs/dbraw/zinc/35/75/75/733357575.db2.gz WUGUNUBZHXVICI-ZIAGYGMSSA-N 2 0 340.468 -0.644 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001044297670 733364050 /nfs/dbraw/zinc/36/40/50/733364050.db2.gz BFSOQKQQNNMZQH-UHFFFAOYSA-N 2 0 342.484 -0.252 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001044303421 733370063 /nfs/dbraw/zinc/37/00/63/733370063.db2.gz XPEUFOGPZAUMAN-UHFFFAOYSA-N 2 0 326.441 -0.887 20 0 EBADRP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC001044802038 733515037 /nfs/dbraw/zinc/51/50/37/733515037.db2.gz ZJFYZNJICHHLEJ-OLZOCXBDSA-N 2 0 326.441 -0.448 20 0 EBADRP C[N@H+](CC(=O)N1CCC[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O)C1CCC1 ZINC001045070838 733571316 /nfs/dbraw/zinc/57/13/16/733571316.db2.gz YSTFILPCFOOPTA-KBPBESRZSA-N 2 0 336.436 -0.144 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001045388773 733683008 /nfs/dbraw/zinc/68/30/08/733683008.db2.gz DOCTZSKGBQDWAZ-QWHCGFSZSA-N 2 0 336.436 -0.144 20 0 EBADRP C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001045413410 733689964 /nfs/dbraw/zinc/68/99/64/733689964.db2.gz NSKFAPNIDPHQAI-UHFFFAOYSA-N 2 0 340.468 -0.641 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2(C)CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC001045639290 733743696 /nfs/dbraw/zinc/74/36/96/733743696.db2.gz GMYIWSQZEVHVCA-CHWSQXEVSA-N 2 0 336.436 -0.286 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046028267 733814288 /nfs/dbraw/zinc/81/42/88/733814288.db2.gz XZESAQOSQVLWID-IRXDYDNUSA-N 2 0 336.480 -0.461 20 0 EBADRP O=C(N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1)[C@@]12CC[NH+](C1)CCC2 ZINC001046081377 733854023 /nfs/dbraw/zinc/85/40/23/733854023.db2.gz YRYMHXDXERJMTK-AEFFLSMTSA-N 2 0 336.480 -0.317 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CCN2C(=O)CCC2=O)C1 ZINC001046196798 733875209 /nfs/dbraw/zinc/87/52/09/733875209.db2.gz GPANQBXFMPSQSD-SUMWQHHRSA-N 2 0 336.436 -0.190 20 0 EBADRP C[C@@]1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+](CCN2CCNC2=O)C1 ZINC001046323155 733908587 /nfs/dbraw/zinc/90/85/87/733908587.db2.gz HYWLERVXELQTIL-MAUKXSAKSA-N 2 0 349.479 -0.066 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1 ZINC001046671980 733996219 /nfs/dbraw/zinc/99/62/19/733996219.db2.gz OJKGABGCFNUVKJ-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@@]1(NC(=O)C23CC[NH+](CC2)C3)CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001046776647 734025242 /nfs/dbraw/zinc/02/52/42/734025242.db2.gz HDIVUJFKSGPQRC-MRXNPFEDSA-N 2 0 349.435 -0.785 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1C[NH+](CCc2ccnn2C)C[C@@H]1O ZINC001047527351 734239526 /nfs/dbraw/zinc/23/95/26/734239526.db2.gz DBLZRLUEISNSTN-XIRDDKMYSA-N 2 0 349.479 -0.050 20 0 EBADRP CN(C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047537637 734245046 /nfs/dbraw/zinc/24/50/46/734245046.db2.gz VGCNVHLFWHPEEC-OWSLCNJRSA-N 2 0 347.459 -0.172 20 0 EBADRP CN(C(=O)Cc1cnc[nH]1)[C@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O ZINC001047545320 734247826 /nfs/dbraw/zinc/24/78/26/734247826.db2.gz PXHJZXVPPGWQMW-GJZGRUSLSA-N 2 0 332.408 -0.568 20 0 EBADRP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O ZINC001047629213 734290632 /nfs/dbraw/zinc/29/06/32/734290632.db2.gz TVMWZSSILJFEGD-KBMXLJTQSA-N 2 0 335.452 -0.582 20 0 EBADRP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001048278964 734379640 /nfs/dbraw/zinc/37/96/40/734379640.db2.gz FVYPBEWXJMFCTF-QWHCGFSZSA-N 2 0 335.456 -0.122 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2COCCN2C(=O)CC[NH+](C)C)C1 ZINC001061907595 738810386 /nfs/dbraw/zinc/81/03/86/738810386.db2.gz KJWYWOIIJVRKHQ-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048477866 734426218 /nfs/dbraw/zinc/42/62/18/734426218.db2.gz WTPPSTGYAWYSQS-CHWSQXEVSA-N 2 0 336.440 -0.612 20 0 EBADRP CC[C@@H](C(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC001061911884 738815302 /nfs/dbraw/zinc/81/53/02/738815302.db2.gz YXVJOZXTGWYJCF-SOUVJXGZSA-N 2 0 340.468 -0.236 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001048723295 734483488 /nfs/dbraw/zinc/48/34/88/734483488.db2.gz AQBROSIDAHPWRR-RFQIPJPRSA-N 2 0 334.420 -0.724 20 0 EBADRP CNC(=O)[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001048823409 734525633 /nfs/dbraw/zinc/52/56/33/734525633.db2.gz CGZRFPOYAXJRJG-ARLBYUKCSA-N 2 0 334.464 -0.147 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048824025 734525745 /nfs/dbraw/zinc/52/57/45/734525745.db2.gz QQTNDSIQMCUWKB-FZKCQIBNSA-N 2 0 332.448 -0.393 20 0 EBADRP CC[NH+](CC)CC(=O)N(C)[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1O ZINC001048880589 734555059 /nfs/dbraw/zinc/55/50/59/734555059.db2.gz HXTGUNCTOJCKQG-GJZGRUSLSA-N 2 0 342.484 -0.300 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2C1 ZINC001048897281 734561261 /nfs/dbraw/zinc/56/12/61/734561261.db2.gz WEINKARELMYXKX-XHSDSOJGSA-N 2 0 349.479 -0.114 20 0 EBADRP CC(C)[C@@H](C(=O)N(C)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O)[NH+](C)C ZINC001048996134 734605759 /nfs/dbraw/zinc/60/57/59/734605759.db2.gz QDGCUEVEICHOLZ-DZKIICNBSA-N 2 0 342.484 -0.446 20 0 EBADRP CN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@H]3C2)C1=O ZINC001049024898 734619081 /nfs/dbraw/zinc/61/90/81/734619081.db2.gz IAUMAVQVZOVIOH-XHSDSOJGSA-N 2 0 334.464 -0.051 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+]([C@H]4CCN(C)C4=O)C[C@@H]3C2)C1 ZINC001049058501 734630239 /nfs/dbraw/zinc/63/02/39/734630239.db2.gz FHAJDOPIBBZZSS-WCVJEAGWSA-N 2 0 334.464 -0.051 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2C1 ZINC001049059781 734630583 /nfs/dbraw/zinc/63/05/83/734630583.db2.gz GVNISCFVHAJVDX-CAOSSQGBSA-N 2 0 349.479 -0.401 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+](CCN4CCNC4=O)C[C@@H]3C2)C1 ZINC001049059090 734630820 /nfs/dbraw/zinc/63/08/20/734630820.db2.gz NGLNSUNHHVNXSP-HRCADAONSA-N 2 0 349.479 -0.256 20 0 EBADRP CC(C)[C@H](C(=O)N(C)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O)[NH+](C)C ZINC001049150067 734664150 /nfs/dbraw/zinc/66/41/50/734664150.db2.gz QDGCUEVEICHOLZ-OFQRWUPVSA-N 2 0 342.484 -0.446 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[NH+]([C@@H]4CCC(=O)NC4=O)C[C@@H]3C2)C1 ZINC001049171071 734674879 /nfs/dbraw/zinc/67/48/79/734674879.db2.gz JQUVIOKNGXVMNJ-APIJFGDWSA-N 2 0 348.447 -0.476 20 0 EBADRP CN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]3C2)C1=O ZINC001049173568 734675882 /nfs/dbraw/zinc/67/58/82/734675882.db2.gz DGYIULMCEGUADS-QLFBSQMISA-N 2 0 332.448 -0.297 20 0 EBADRP COCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001049216136 734688599 /nfs/dbraw/zinc/68/85/99/734688599.db2.gz UXSHSMXRZSFVKD-OAGGEKHMSA-N 2 0 325.453 -0.009 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001049434637 734729523 /nfs/dbraw/zinc/72/95/23/734729523.db2.gz DQNHHYYGGTZRHP-KBPBESRZSA-N 2 0 328.457 -0.690 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001049435880 734729895 /nfs/dbraw/zinc/72/98/95/734729895.db2.gz VFUGZXVLZPLMEM-KKUMJFAQSA-N 2 0 340.468 -0.548 20 0 EBADRP CC[N@H+](C)CCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@@H]1O ZINC001049542360 734750225 /nfs/dbraw/zinc/75/02/25/734750225.db2.gz JSHXOVXMCHFRIF-ILXRZTDVSA-N 2 0 340.468 -0.548 20 0 EBADRP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1CCC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001050099899 734841733 /nfs/dbraw/zinc/84/17/33/734841733.db2.gz NDGVXQRVAPDZKR-HNCZQISISA-N 2 0 335.448 -0.235 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCC[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001050203914 734868500 /nfs/dbraw/zinc/86/85/00/734868500.db2.gz MALKSVJSLCHINV-SOUVJXGZSA-N 2 0 348.447 -0.190 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCC[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001050203910 734868535 /nfs/dbraw/zinc/86/85/35/734868535.db2.gz MALKSVJSLCHINV-RRFJBIMHSA-N 2 0 348.447 -0.190 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@H]2CCC(=O)NC2=O)CC3)C1 ZINC001050754042 734954575 /nfs/dbraw/zinc/95/45/75/734954575.db2.gz NSSHDYKQKCQMDK-KGLIPLIRSA-N 2 0 348.447 -0.332 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cnns2)C1 ZINC001051493664 735196864 /nfs/dbraw/zinc/19/68/64/735196864.db2.gz PGFXTHKIMMTDNP-YPMHNXCESA-N 2 0 325.438 -0.051 20 0 EBADRP C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001051502723 735212365 /nfs/dbraw/zinc/21/23/65/735212365.db2.gz IOYKNRLDIQZCLL-HUUCEWRRSA-N 2 0 342.484 -0.131 20 0 EBADRP Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1 ZINC001051616524 735267920 /nfs/dbraw/zinc/26/79/20/735267920.db2.gz JMRSHTIFOCPFRI-CVEARBPZSA-N 2 0 348.451 -0.526 20 0 EBADRP COCCC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001055485969 736353249 /nfs/dbraw/zinc/35/32/49/736353249.db2.gz MQNKLOLQCFAYTJ-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP COCC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001055496100 736357811 /nfs/dbraw/zinc/35/78/11/736357811.db2.gz CDYRVTFDOQTCCI-HIFRSBDPSA-N 2 0 340.468 -0.473 20 0 EBADRP COCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001055496380 736357897 /nfs/dbraw/zinc/35/78/97/736357897.db2.gz HZPAOTYVJFQPSG-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP COCC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001055496102 736357920 /nfs/dbraw/zinc/35/79/20/736357920.db2.gz CDYRVTFDOQTCCI-ZFWWWQNUSA-N 2 0 340.468 -0.473 20 0 EBADRP CO[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001055577882 736391604 /nfs/dbraw/zinc/39/16/04/736391604.db2.gz DHIFQTWHYAXPGL-KGLIPLIRSA-N 2 0 340.468 -0.330 20 0 EBADRP O=C(C[NH+]1CCCC1)NCC[NH+]1CCC(NC(=O)c2ccn[nH]2)CC1 ZINC001055577810 736391763 /nfs/dbraw/zinc/39/17/63/736391763.db2.gz BJJHWZRAWDIPOE-UHFFFAOYSA-N 2 0 348.451 -0.184 20 0 EBADRP COCC(=O)NC1CC[NH+](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055601946 736400960 /nfs/dbraw/zinc/40/09/60/736400960.db2.gz ISJGYKZXAPTWSM-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP COC[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)CC[NH+](C)C)CC1 ZINC001055633284 736417269 /nfs/dbraw/zinc/41/72/69/736417269.db2.gz IMPLKMBWGXXUTO-AWEZNQCLSA-N 2 0 342.484 -0.083 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)c2ccncn2)CC1 ZINC001055633480 736417364 /nfs/dbraw/zinc/41/73/64/736417364.db2.gz PIGOSMVGOTWCLA-UHFFFAOYSA-N 2 0 348.451 -0.261 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)c2ncccn2)CC1 ZINC001055633335 736417641 /nfs/dbraw/zinc/41/76/41/736417641.db2.gz KHXODKKZCRUQHM-UHFFFAOYSA-N 2 0 348.451 -0.261 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001056104340 736642989 /nfs/dbraw/zinc/64/29/89/736642989.db2.gz CVLKEGMAJOOVGF-RHSMWYFYSA-N 2 0 342.484 -0.252 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001056104589 736643365 /nfs/dbraw/zinc/64/33/65/736643365.db2.gz DZBVKLAAEZZWDC-QGZVFWFLSA-N 2 0 342.484 -0.252 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCCN(CCO)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001057213032 737087328 /nfs/dbraw/zinc/08/73/28/737087328.db2.gz CLKHBDBTCVXQKV-HUUCEWRRSA-N 2 0 340.468 -0.641 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001057636080 737374818 /nfs/dbraw/zinc/37/48/18/737374818.db2.gz MPJPUPWCNPPNRK-CABCVRRESA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCCN(CCO)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001057636712 737377010 /nfs/dbraw/zinc/37/70/10/737377010.db2.gz XJUXUAABGJDDPM-CABCVRRESA-N 2 0 340.468 -0.783 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC001057741319 737428662 /nfs/dbraw/zinc/42/86/62/737428662.db2.gz PJWIJKCPRLAQNO-QLFBSQMISA-N 2 0 340.468 -0.785 20 0 EBADRP CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC001057741015 737428918 /nfs/dbraw/zinc/42/89/18/737428918.db2.gz JXDCUWLHYMJISZ-KFWWJZLASA-N 2 0 342.484 -0.396 20 0 EBADRP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)C[N@H+](C)C(C)C ZINC001057863449 737484084 /nfs/dbraw/zinc/48/40/84/737484084.db2.gz RZVRYBXHEAVPNQ-UHFFFAOYSA-N 2 0 330.473 -0.395 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001057876329 737495441 /nfs/dbraw/zinc/49/54/41/737495441.db2.gz HLVWKLLPIXGWHT-HUUCEWRRSA-N 2 0 340.468 -0.642 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001057876413 737495735 /nfs/dbraw/zinc/49/57/35/737495735.db2.gz JAGITKLKMQMOSG-MRXNPFEDSA-N 2 0 342.484 -0.395 20 0 EBADRP C[N@H+](CC(=O)N(CCO)CCNC(=O)[C@H]1CC[NH+](C)C1)C1CCC1 ZINC001057903716 737522869 /nfs/dbraw/zinc/52/28/69/737522869.db2.gz UULWKYLYZUZPEM-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)C(C)(C)[N@H+](C)CC ZINC001057942783 737546668 /nfs/dbraw/zinc/54/66/68/737546668.db2.gz USYHQCYGOYUFBC-UHFFFAOYSA-N 2 0 344.500 -0.004 20 0 EBADRP CC[C@H](C(=O)N(CCO)CCNC(=O)C[N@@H+]1CCC[C@H]1C)[NH+](C)C ZINC001057975473 737572516 /nfs/dbraw/zinc/57/25/16/737572516.db2.gz TUXLWASJKMIOBM-HUUCEWRRSA-N 2 0 342.484 -0.252 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C1CC[NH+](C)CC1 ZINC001057992078 737581620 /nfs/dbraw/zinc/58/16/20/737581620.db2.gz XRQZUZXFWCIRCG-HNNXBMFYSA-N 2 0 340.468 -0.641 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)C1CC[NH+](C)CC1 ZINC001057993984 737582076 /nfs/dbraw/zinc/58/20/76/737582076.db2.gz FLUOMOSZUNRUHA-UHFFFAOYSA-N 2 0 342.484 -0.393 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)C1CC[NH+](C)CC1 ZINC001057994270 737582537 /nfs/dbraw/zinc/58/25/37/737582537.db2.gz PVQDCJVDXJLTDQ-UHFFFAOYSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC001058038956 737601372 /nfs/dbraw/zinc/60/13/72/737601372.db2.gz LKMHFFMNHWQRBW-HUUCEWRRSA-N 2 0 342.484 -0.252 20 0 EBADRP C[NH+](C)CCC(=O)NCCN(CCO)C(=O)C12CCC[NH+]1CCC2 ZINC001058148374 737673786 /nfs/dbraw/zinc/67/37/86/737673786.db2.gz OPHYDUSLXZEUOC-UHFFFAOYSA-N 2 0 340.468 -0.496 20 0 EBADRP C[NH+](C)CCC(=O)NCCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001058158148 737681202 /nfs/dbraw/zinc/68/12/02/737681202.db2.gz QSYRTBFTSWKIKO-CQSZACIVSA-N 2 0 328.457 -0.783 20 0 EBADRP CC(C)[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001058251063 737734384 /nfs/dbraw/zinc/73/43/84/737734384.db2.gz UEEJHPKZCQDXHT-HUUCEWRRSA-N 2 0 342.484 -0.539 20 0 EBADRP CCC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001058252622 737735484 /nfs/dbraw/zinc/73/54/84/737735484.db2.gz QDWDWJQACLWNTO-HNNXBMFYSA-N 2 0 342.484 -0.250 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001058253747 737736013 /nfs/dbraw/zinc/73/60/13/737736013.db2.gz GTLOZPLDFKUTSW-OAHLLOKOSA-N 2 0 342.484 -0.393 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC001058255560 737738133 /nfs/dbraw/zinc/73/81/33/737738133.db2.gz UVYUXJYPCNTTJG-HUUCEWRRSA-N 2 0 342.484 -0.537 20 0 EBADRP C[NH+](C)CCC(=O)NCCN(CCO)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001058286297 737758210 /nfs/dbraw/zinc/75/82/10/737758210.db2.gz JRZLOFPUHFBHHQ-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP CC1CC[NH+](CC(=O)N(CCO)CCNC(=O)CC[NH+](C)C)CC1 ZINC001058540696 737887695 /nfs/dbraw/zinc/88/76/95/737887695.db2.gz PIEFYXIWJDYBMI-UHFFFAOYSA-N 2 0 342.484 -0.393 20 0 EBADRP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001058709080 737960044 /nfs/dbraw/zinc/96/00/44/737960044.db2.gz GYGOVYLQPSWABV-HNNXBMFYSA-N 2 0 328.457 -0.785 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058709442 737960322 /nfs/dbraw/zinc/96/03/22/737960322.db2.gz VMVGCSXTAAGDBQ-GJZGRUSLSA-N 2 0 342.484 -0.252 20 0 EBADRP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001058710868 737961439 /nfs/dbraw/zinc/96/14/39/737961439.db2.gz SJMHTDXODMXBCS-UHFFFAOYSA-N 2 0 347.419 -0.163 20 0 EBADRP CC[C@H](C(=O)N(CCO)CCNC(=O)CC[NH+](C)C)[NH+](CC)CC ZINC001058787318 737995207 /nfs/dbraw/zinc/99/52/07/737995207.db2.gz FJUWWHHTWAVAPF-OAHLLOKOSA-N 2 0 344.500 -0.004 20 0 EBADRP CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001058815048 738002833 /nfs/dbraw/zinc/00/28/33/738002833.db2.gz JHRUWSRLANGTHL-MRXNPFEDSA-N 2 0 344.500 -0.149 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC001058849362 738031675 /nfs/dbraw/zinc/03/16/75/738031675.db2.gz SMUAVQKPVUWLEG-GJZGRUSLSA-N 2 0 342.484 -0.539 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001063718509 739185613 /nfs/dbraw/zinc/18/56/13/739185613.db2.gz HWFVEBNSANXTGZ-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC1(NC(=O)C[NH+]2CCCC2)CCC1 ZINC001063718451 739185859 /nfs/dbraw/zinc/18/58/59/739185859.db2.gz FYKPOLUJQXSNRM-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001065259366 739616965 /nfs/dbraw/zinc/61/69/65/739616965.db2.gz AIWBSFOOCYGPPC-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CCO1 ZINC001065260096 739617347 /nfs/dbraw/zinc/61/73/47/739617347.db2.gz IAWFKNNNHTZYCZ-GOEBONIOSA-N 2 0 340.468 -0.378 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065574707 739771237 /nfs/dbraw/zinc/77/12/37/739771237.db2.gz MBVZUOGKYGMXET-CQSZACIVSA-N 2 0 328.457 -0.378 20 0 EBADRP C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001065576333 739772738 /nfs/dbraw/zinc/77/27/38/739772738.db2.gz PERGGCZDMFEROD-UONOGXRCSA-N 2 0 326.441 -0.767 20 0 EBADRP C[NH+](C)CCC(=O)N1CC2(C1)CN(C(=O)[C@H]1CC[N@H+](C)C1)CCO2 ZINC001068399123 740311131 /nfs/dbraw/zinc/31/11/31/740311131.db2.gz QZTWYOFMGJZXCM-AWEZNQCLSA-N 2 0 338.452 -0.670 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001069009782 740522913 /nfs/dbraw/zinc/52/29/13/740522913.db2.gz YZLDOVWRWBTAJV-KBPBESRZSA-N 2 0 338.452 -0.482 20 0 EBADRP O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1)[C@@H]1C[NH+]2CCC1CC2 ZINC001069928365 740621553 /nfs/dbraw/zinc/62/15/53/740621553.db2.gz BRFFWKVVNYFRGN-OAGGEKHMSA-N 2 0 348.451 -0.656 20 0 EBADRP O=C(C[NH+]1CCCC1)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001070328353 740787959 /nfs/dbraw/zinc/78/79/59/740787959.db2.gz YPFOXIRKYGCCQK-XHSDSOJGSA-N 2 0 348.451 -0.248 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070500735 740850478 /nfs/dbraw/zinc/85/04/78/740850478.db2.gz FHNUWICWOJMIOG-JGGQBBKZSA-N 2 0 348.451 -0.870 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001070689919 740920868 /nfs/dbraw/zinc/92/08/68/740920868.db2.gz XCOCIWXQDNGHOH-RBSFLKMASA-N 2 0 335.452 -0.219 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCO)C2)C1 ZINC001070689775 740920954 /nfs/dbraw/zinc/92/09/54/740920954.db2.gz OQXFPQAQIDZGOM-RRFJBIMHSA-N 2 0 335.452 -0.362 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001072150970 741322488 /nfs/dbraw/zinc/32/24/88/741322488.db2.gz WJWSLIFBVNDKKU-HUUCEWRRSA-N 2 0 342.484 -0.131 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@H](NC(=O)COCC[NH+](C)C)[C@@H](C)C1 ZINC001072477870 741410995 /nfs/dbraw/zinc/41/09/95/741410995.db2.gz CKCWCHSAPSSCKW-GJZGRUSLSA-N 2 0 342.484 -0.131 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CC[NH+](C[C@@H](O)Cn2cccn2)C3)C1 ZINC001073429733 741612322 /nfs/dbraw/zinc/61/23/22/741612322.db2.gz RGTSQRIUPYSDCQ-JKSUJKDBSA-N 2 0 347.463 -0.270 20 0 EBADRP C[NH+](C)CCC(=O)N1CC(N2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001073598519 741679050 /nfs/dbraw/zinc/67/90/50/741679050.db2.gz BELCKGODJPOWJX-UHFFFAOYSA-N 2 0 339.484 -0.755 20 0 EBADRP O=C(NC[C@@H]1C[N@H+](CCO)CCCO1)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001073700644 741713853 /nfs/dbraw/zinc/71/38/53/741713853.db2.gz SNQNGVVSRIEJDU-DGNOSDGRSA-N 2 0 339.436 -0.951 20 0 EBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1NC(=O)COCC[NH+](C)C ZINC001074080600 741826838 /nfs/dbraw/zinc/82/68/38/741826838.db2.gz UTJIQKBUPDXLJP-GJZGRUSLSA-N 2 0 342.484 -0.131 20 0 EBADRP C[NH+](C)CCC(=O)NCC1(O)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001074594410 742018275 /nfs/dbraw/zinc/01/82/75/742018275.db2.gz YPQBRPMEIRXZLE-UHFFFAOYSA-N 2 0 340.468 -0.496 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001075619559 742262585 /nfs/dbraw/zinc/26/25/85/742262585.db2.gz HXLHCNFSHLHKCZ-RRFJBIMHSA-N 2 0 335.452 -0.362 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@H]3C[N@H+](CCCO)C[C@H]32)n1 ZINC001075803924 742303079 /nfs/dbraw/zinc/30/30/79/742303079.db2.gz KMCVNCBMQXTAGF-GOEBONIOSA-N 2 0 335.452 -0.027 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21)[NH+](C)C ZINC001075940320 742334970 /nfs/dbraw/zinc/33/49/70/742334970.db2.gz JIOGYPCXWJJPPQ-RRFJBIMHSA-N 2 0 337.468 -0.116 20 0 EBADRP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC001076206417 742405666 /nfs/dbraw/zinc/40/56/66/742405666.db2.gz NQZYJJYRKWHMNK-RRFJBIMHSA-N 2 0 348.447 -0.334 20 0 EBADRP O=C(N1CC[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001076467312 742477354 /nfs/dbraw/zinc/47/73/54/742477354.db2.gz IVEJZKFYDQRXLL-BFHYXJOUSA-N 2 0 346.431 -0.580 20 0 EBADRP C[C@@H](CCNC(=O)C[NH+]1CCCC1)NC(=O)COCC[NH+](C)C ZINC001076595507 742508050 /nfs/dbraw/zinc/50/80/50/742508050.db2.gz QSJUIUCBBNITSF-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001077130127 742747235 /nfs/dbraw/zinc/74/72/35/742747235.db2.gz RHQTWHXHJIVZNO-OWCLPIDISA-N 2 0 325.453 -0.063 20 0 EBADRP C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)NC(=O)COCC[NH+](C)C ZINC001077182414 742772879 /nfs/dbraw/zinc/77/28/79/742772879.db2.gz PEDYPONMLPAMKD-AWEZNQCLSA-N 2 0 342.484 -0.083 20 0 EBADRP CC[C@@H](C(=O)NCC[C@H](C)NC(=O)COCC[NH+](C)C)[NH+](C)C ZINC001077516302 743044780 /nfs/dbraw/zinc/04/47/80/743044780.db2.gz KBJGXHYDSBHBLB-KBPBESRZSA-N 2 0 330.473 -0.084 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@H]2O)CC[N@@H+]1C ZINC001077571499 743084931 /nfs/dbraw/zinc/08/49/31/743084931.db2.gz OHLXAKRTQVQAIV-QMCVQRASSA-N 2 0 349.479 -0.146 20 0 EBADRP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012228 743415721 /nfs/dbraw/zinc/41/57/21/743415721.db2.gz YOORMWREFQYXSM-MGPQQGTHSA-N 2 0 346.435 -0.978 20 0 EBADRP C[C@@H]1C[C@@H](C[NH2+]Cc2nnnn2C)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000980768574 806011724 /nfs/dbraw/zinc/01/17/24/806011724.db2.gz VVFHJTKYRYEAHC-OLZOCXBDSA-N 2 0 333.440 -0.368 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CCC[NH+]([C@H]1CCC(=O)NC1=O)C2 ZINC000981666667 806228140 /nfs/dbraw/zinc/22/81/40/806228140.db2.gz YIYKSZBOPLTFRH-UONOGXRCSA-N 2 0 348.447 -0.190 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000977206605 804221746 /nfs/dbraw/zinc/22/17/46/804221746.db2.gz DVNWTPSANTYUGY-LEOABGAYSA-N 2 0 346.475 -0.147 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCCO)C[C@H]32)n1 ZINC000978172959 804705484 /nfs/dbraw/zinc/70/54/84/804705484.db2.gz DCFSRMVGSBXBHV-QKDCVEJESA-N 2 0 335.452 -0.265 20 0 EBADRP COCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC000978183058 804708817 /nfs/dbraw/zinc/70/88/17/804708817.db2.gz SSRFXSOSUKWAOZ-QKDCVEJESA-N 2 0 335.452 -0.001 20 0 EBADRP COCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978552046 804860115 /nfs/dbraw/zinc/86/01/15/804860115.db2.gz FHEWDNMAGROJCX-UAEIHBMGSA-N 2 0 335.448 -0.210 20 0 EBADRP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000978959982 805064138 /nfs/dbraw/zinc/06/41/38/805064138.db2.gz MGKSZBFVWYOWTK-TUVASFSCSA-N 2 0 334.464 -0.147 20 0 EBADRP O=C(NC[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000978989665 805075205 /nfs/dbraw/zinc/07/52/05/805075205.db2.gz VTBZTVLOFHHFPW-QKDCVEJESA-N 2 0 330.436 -0.332 20 0 EBADRP O=C(N[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC000983690204 807083483 /nfs/dbraw/zinc/08/34/83/807083483.db2.gz ARJRABRGYHDCLG-CYUUQNCZSA-N 2 0 348.447 -0.382 20 0 EBADRP O=C(N[C@H]1C[C@H](C[NH2+]Cc2cnon2)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000983715298 807087597 /nfs/dbraw/zinc/08/75/97/807087597.db2.gz HQUVYDUXDDWPAK-NZBPQXDJSA-N 2 0 335.408 -0.083 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC000984739710 807383300 /nfs/dbraw/zinc/38/33/00/807383300.db2.gz HXEVXDCWWXLHGP-MRVWCRGKSA-N 2 0 336.436 -0.382 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)CC1 ZINC000984739711 807384296 /nfs/dbraw/zinc/38/42/96/807384296.db2.gz HXEVXDCWWXLHGP-UBHSHLNASA-N 2 0 336.436 -0.382 20 0 EBADRP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC000989168819 808394008 /nfs/dbraw/zinc/39/40/08/808394008.db2.gz CFNZTVIFHNAQNY-VXGBXAGGSA-N 2 0 328.376 -0.055 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCC[NH+](CCN3CCNC3=O)C2)C1 ZINC001009204081 810234475 /nfs/dbraw/zinc/23/44/75/810234475.db2.gz UCWMYKYYJPJSRS-GJZGRUSLSA-N 2 0 337.468 -0.066 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214344708 810240167 /nfs/dbraw/zinc/24/01/67/810240167.db2.gz XFYHMTMTPWREEO-KFWWJZLASA-N 2 0 340.468 -0.330 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214343921 810240428 /nfs/dbraw/zinc/24/04/28/810240428.db2.gz JTFKTWYFPUKWOU-RBSFLKMASA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001214847508 810285725 /nfs/dbraw/zinc/28/57/25/810285725.db2.gz HNWGNBPGWCSKFF-IJLUTSLNSA-N 2 0 339.440 -0.509 20 0 EBADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214861158 810286832 /nfs/dbraw/zinc/28/68/32/810286832.db2.gz JVMCFQGWIOYNGM-ZYHUDNBSSA-N 2 0 325.413 -0.898 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001216226000 810363830 /nfs/dbraw/zinc/36/38/30/810363830.db2.gz KFZWLIVFICFTPY-ZIAGYGMSSA-N 2 0 348.513 -0.344 20 0 EBADRP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216401591 810371233 /nfs/dbraw/zinc/37/12/33/810371233.db2.gz NNHKKEBGNPXWKA-ZIAGYGMSSA-N 2 0 328.457 -0.474 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216750003 810384368 /nfs/dbraw/zinc/38/43/68/810384368.db2.gz KUFWMSWXKCQSQE-FVQBIDKESA-N 2 0 340.468 -0.473 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001216758082 810385517 /nfs/dbraw/zinc/38/55/17/810385517.db2.gz WXHKIIDBXSITAX-ZIAGYGMSSA-N 2 0 331.482 -0.047 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001216757805 810385982 /nfs/dbraw/zinc/38/59/82/810385982.db2.gz MPFDLLQHZMRWAN-CHWSQXEVSA-N 2 0 332.470 -0.932 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001216755902 810386290 /nfs/dbraw/zinc/38/62/90/810386290.db2.gz JPEGXYUZHJRTCQ-ZIAGYGMSSA-N 2 0 346.497 -0.590 20 0 EBADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1C[C@H]2C[NH2+]C[C@H]21 ZINC001218324220 810487661 /nfs/dbraw/zinc/48/76/61/810487661.db2.gz HLVISAZGVTUSOM-IVZWLZJFSA-N 2 0 336.392 -0.253 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1cncc(N2CCOCC2)n1 ZINC001218575061 810505604 /nfs/dbraw/zinc/50/56/04/810505604.db2.gz AYTZVCWAKDFUFO-JTQLQIEISA-N 2 0 326.426 -0.729 20 0 EBADRP COC(=O)c1c[nH]c(C(=O)OC)c1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218596600 810508246 /nfs/dbraw/zinc/50/82/46/810508246.db2.gz KAAPFPPAFAOGCE-SECBINFHSA-N 2 0 336.348 -0.665 20 0 EBADRP Nc1cccnc1N(C(=O)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)C1CC[NH2+]CC1 ZINC001218694697 810519940 /nfs/dbraw/zinc/51/99/40/810519940.db2.gz CWBZHARZLXPBQA-VNHYZAJKSA-N 2 0 331.420 -0.017 20 0 EBADRP Nc1cccnc1N(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC001218694810 810520411 /nfs/dbraw/zinc/52/04/11/810520411.db2.gz DREYHOLUQZJPIV-AWEZNQCLSA-N 2 0 346.435 -0.383 20 0 EBADRP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)N(c1ncccc1N)C1CC[NH2+]CC1 ZINC001218696100 810520477 /nfs/dbraw/zinc/52/04/77/810520477.db2.gz NGMKOEPSXWSHGB-HIFRSBDPSA-N 2 0 347.419 -0.100 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cncc(C[NH3+])c1 ZINC001218705001 810523124 /nfs/dbraw/zinc/52/31/24/810523124.db2.gz HYCLUILFCQZLBS-GJZGRUSLSA-N 3 0 348.451 -0.074 20 0 EBADRP COC(=O)/C=C/c1ccc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)nc1 ZINC001218801193 810533656 /nfs/dbraw/zinc/53/36/56/810533656.db2.gz OWGDXBVRNWIKKD-KQIUPUNMSA-N 2 0 347.419 -0.043 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC001218821715 810534412 /nfs/dbraw/zinc/53/44/12/810534412.db2.gz FIPHSOYTUMZDCV-OAHLLOKOSA-N 2 0 329.408 -0.044 20 0 EBADRP [NH3+]CCNC(=O)/C=C/C(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218879956 810538672 /nfs/dbraw/zinc/53/86/72/810538672.db2.gz NKDRPUUGVMBHEG-AATRIKPKSA-N 2 0 345.403 -0.698 20 0 EBADRP O=C(Nc1ccc(N2CCNC(=O)C2)cc1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218874153 810538956 /nfs/dbraw/zinc/53/89/56/810538956.db2.gz UAOSDGTXTYQCBG-CQSZACIVSA-N 2 0 329.404 -0.630 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001218996775 810552194 /nfs/dbraw/zinc/55/21/94/810552194.db2.gz OKTBVXATIXISTN-ZDUSSCGKSA-N 2 0 340.449 -0.078 20 0 EBADRP COc1cc2c(cc1NC(=O)C[C@@H](O)C[NH3+])NC(=O)[C@]21CC[NH2+]C1 ZINC001219497422 810721707 /nfs/dbraw/zinc/72/17/07/810721707.db2.gz CHSSRPRPXPMFMA-ABKXIKBNSA-N 2 0 334.376 -0.473 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])C(=O)C[C@@H]([NH3+])Cc1ccc(F)c(F)c1 ZINC001219595716 810764141 /nfs/dbraw/zinc/76/41/41/810764141.db2.gz LWNMHGWXHWWPBA-JTQLQIEISA-N 2 0 335.376 -0.028 20 0 EBADRP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)c1 ZINC001219617362 810773224 /nfs/dbraw/zinc/77/32/24/810773224.db2.gz LQTVHWWVYVEIMZ-OFQRWUPVSA-N 2 0 325.384 -0.256 20 0 EBADRP CC(C)C[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219631170 810780974 /nfs/dbraw/zinc/78/09/74/810780974.db2.gz SVKVIHRSIRCAEC-ILXRZTDVSA-N 2 0 342.484 -0.043 20 0 EBADRP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001033663226 810781345 /nfs/dbraw/zinc/78/13/45/810781345.db2.gz UPLOKBFIAUHKBD-ZIAGYGMSSA-N 2 0 336.436 -0.380 20 0 EBADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635466 810782369 /nfs/dbraw/zinc/78/23/69/810782369.db2.gz HRTLZGXYAWVXIT-GUBZILKMSA-N 2 0 342.337 -0.021 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)C1 ZINC001219637876 810782749 /nfs/dbraw/zinc/78/27/49/810782749.db2.gz IAHGAPGETBLJBC-XQQFMLRXSA-N 2 0 333.440 -0.714 20 0 EBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc2c(c1)[C@H]1C[NH2+]C[C@@H]1NC2=O ZINC001219638904 810782759 /nfs/dbraw/zinc/78/27/59/810782759.db2.gz RMUQONZBKMEJAJ-AZHAFVHUSA-N 2 0 332.379 -0.085 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219705020 810802496 /nfs/dbraw/zinc/80/24/96/810802496.db2.gz BNEYLSUSTXETDL-QGZVFWFLSA-N 3 0 331.464 -0.301 20 0 EBADRP CO[C@H]([C@@H](C)C(=O)NCc1nnc2n1CCC[NH2+]C2)[C@@H]1CCC[NH2+]1 ZINC001219749176 810823471 /nfs/dbraw/zinc/82/34/71/810823471.db2.gz JIBFXXQAKVUITD-TYNCELHUSA-N 2 0 336.440 -0.209 20 0 EBADRP [NH3+]C1(C(=O)NCc2nnc3n2CCC[NH2+]C3)Cc2ccccc2C1 ZINC001219750243 810824345 /nfs/dbraw/zinc/82/43/45/810824345.db2.gz YXRMVFZKISHEQP-UHFFFAOYSA-N 2 0 326.404 -0.116 20 0 EBADRP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)c1cccnc1O[C@@H]1CC[NH2+]C1 ZINC001219765936 810832080 /nfs/dbraw/zinc/83/20/80/810832080.db2.gz IOTNXKWPRMOKSQ-QLFBSQMISA-N 2 0 345.447 -0.154 20 0 EBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001219788979 810841393 /nfs/dbraw/zinc/84/13/93/810841393.db2.gz ULYFVTOXRZKMAG-BWFKNJDFSA-N 2 0 326.466 -0.190 20 0 EBADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001219791181 810841954 /nfs/dbraw/zinc/84/19/54/810841954.db2.gz ODQZOFPLNWSBAK-FVQBIDKESA-N 2 0 334.420 -0.135 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001219790901 810842335 /nfs/dbraw/zinc/84/23/35/810842335.db2.gz MFEZHSNWRJXNOT-YOEHRIQHSA-N 3 0 348.495 -0.536 20 0 EBADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@H]1C[NH2+]Cc2ccnn2C1 ZINC001219794401 810843917 /nfs/dbraw/zinc/84/39/17/810843917.db2.gz YRNCECAQQMVNCX-AWEZNQCLSA-N 3 0 346.479 -0.065 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCc1cc(=O)n2c(n1)CNCCC2 ZINC001219806240 810852351 /nfs/dbraw/zinc/85/23/51/810852351.db2.gz OZEZMOFZZLRNSC-ZDUSSCGKSA-N 2 0 336.440 -0.930 20 0 EBADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)c1cccnc1O[C@@H]1CC[NH2+]C1 ZINC001219815118 810857607 /nfs/dbraw/zinc/85/76/07/810857607.db2.gz SCAVXCSHLCQAGX-AHIWAGSCSA-N 2 0 332.404 -0.212 20 0 EBADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)c1csc(N2CC[NH2+]CC2)n1 ZINC001219814853 810858919 /nfs/dbraw/zinc/85/89/19/810858919.db2.gz OAUBFIBKFNOPFP-NHYWBVRUSA-N 2 0 337.449 -0.482 20 0 EBADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)c1cccnc1O[C@H]1CC[NH2+]C1 ZINC001219833760 810868498 /nfs/dbraw/zinc/86/84/98/810868498.db2.gz IVQZYRHDYUZPOQ-COMQUAJESA-N 2 0 332.404 -0.071 20 0 EBADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001219833755 810868960 /nfs/dbraw/zinc/86/89/60/810868960.db2.gz IRFJPRXLCWFSHH-JGFGOLAASA-N 2 0 339.436 -0.735 20 0 EBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838421 810870917 /nfs/dbraw/zinc/87/09/17/810870917.db2.gz QADMALGSVZAKOQ-VYDXJSESSA-N 3 0 342.484 -0.443 20 0 EBADRP CO[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)C1 ZINC001219838577 810871284 /nfs/dbraw/zinc/87/12/84/810871284.db2.gz RYSZKTSWSCQAIV-HGTKMLMNSA-N 2 0 327.425 -0.735 20 0 EBADRP CCn1nnc2c1[C@@H](C(=O)NC[C@H]1OC[C@@H]3CC[NH2+]C[C@@H]31)CNC2 ZINC001219849732 810878237 /nfs/dbraw/zinc/87/82/37/810878237.db2.gz HEPYPOVNMDWSQP-ZJQBRPOHSA-N 2 0 334.424 -0.775 20 0 EBADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC001219852004 810879408 /nfs/dbraw/zinc/87/94/08/810879408.db2.gz JVOMEQQXAWDAQV-YHUYYLMFSA-N 2 0 346.431 -0.604 20 0 EBADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)NCC[NH2+]CCO ZINC001219918461 810906746 /nfs/dbraw/zinc/90/67/46/810906746.db2.gz MVXKNTKYIHDUBD-AVGNSLFASA-N 2 0 348.513 -0.704 20 0 EBADRP C[NH+]1CCN(c2cccc(CNC(=O)CN3CC[NH2+]CC3)c2)CC1 ZINC001219959451 810926045 /nfs/dbraw/zinc/92/60/45/810926045.db2.gz VWEMCTAMXBHOJB-UHFFFAOYSA-N 2 0 331.464 -0.040 20 0 EBADRP CCn1c(N)c(NC(=O)[C@H](CCCC[NH3+])[NH2+]C)c(=O)n(CC)c1=O ZINC001219972240 810931132 /nfs/dbraw/zinc/93/11/32/810931132.db2.gz MYGFLUNFPZBOQG-JTQLQIEISA-N 2 0 340.428 -0.713 20 0 EBADRP COC(=O)C1(NC(=O)[C@H]2Cc3cc(O)ccc3C[NH2+]2)CC[NH2+]CC1 ZINC001219999414 810940490 /nfs/dbraw/zinc/94/04/90/810940490.db2.gz SNPMJUMGLUZDAJ-CQSZACIVSA-N 2 0 333.388 -0.182 20 0 EBADRP CCOC(=O)C(=CNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C(=O)OCC ZINC001220041582 810957168 /nfs/dbraw/zinc/95/71/68/810957168.db2.gz RQSJEXCXUPFPQC-LBPRGKRZSA-N 2 0 327.381 -0.560 20 0 EBADRP CC(=O)OC[C@H]([NH3+])C(=O)NC1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001220039936 810957517 /nfs/dbraw/zinc/95/75/17/810957517.db2.gz YZSNGSXAXQDLQQ-BGMSHATGSA-N 2 0 343.424 -0.025 20 0 EBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H](N)CC(=O)OCc1ccccc1 ZINC001220101256 810981008 /nfs/dbraw/zinc/98/10/08/810981008.db2.gz FQMVSOWPPPXANZ-ZDUSSCGKSA-N 2 0 335.408 -0.092 20 0 EBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC001220103005 810983024 /nfs/dbraw/zinc/98/30/24/810983024.db2.gz BZMTYYGOIQBAIV-ZDUSSCGKSA-N 3 0 334.424 -0.866 20 0 EBADRP N=C(NC(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)SCC[NH3+] ZINC001220106372 810984977 /nfs/dbraw/zinc/98/49/77/810984977.db2.gz LGYYOBKERCHRSB-ZETCQYMHSA-N 2 0 343.375 -0.095 20 0 EBADRP [NH3+][C@@H](C(=O)NCCCCCCN1C(=O)C=CC1=O)C1CC[NH2+]CC1 ZINC001220127412 810993160 /nfs/dbraw/zinc/99/31/60/810993160.db2.gz UHFIPJYEUMZDMS-MRXNPFEDSA-N 2 0 336.436 -0.085 20 0 EBADRP COC(=O)[C@@]1(NC(=O)C[C@H](O)C[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC001220225269 811022968 /nfs/dbraw/zinc/02/29/68/811022968.db2.gz FSCMQUBKPARSOE-WMLDXEAASA-N 2 0 335.404 -0.370 20 0 EBADRP COC(=O)[C@]1(NC(=O)[C@@H]2C[C@H]([NH3+])CN2)CC[N@H+](Cc2ccccc2)C1 ZINC001220228285 811025882 /nfs/dbraw/zinc/02/58/82/811025882.db2.gz HJEHTCKVPWNEKI-MPGHIAIKSA-N 2 0 346.431 -0.391 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCn1nnc2ccccc21 ZINC001220273053 811041940 /nfs/dbraw/zinc/04/19/40/811041940.db2.gz ZKQUFWZFSXPAIT-ZDUSSCGKSA-N 2 0 331.424 -0.702 20 0 EBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220313705 811051609 /nfs/dbraw/zinc/05/16/09/811051609.db2.gz SXZYLPRZQBCUOZ-ZDUSSCGKSA-N 2 0 336.440 -0.374 20 0 EBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220312741 811051773 /nfs/dbraw/zinc/05/17/73/811051773.db2.gz DSTLJILZJSBQGE-LBPRGKRZSA-N 2 0 336.440 -0.518 20 0 EBADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)N[C@H]2CO[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001220320260 811055935 /nfs/dbraw/zinc/05/59/35/811055935.db2.gz MCMSEOFJFLEJIN-VKJFTORMSA-N 2 0 346.431 -0.317 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCCC1COC1 ZINC001220340432 811061983 /nfs/dbraw/zinc/06/19/83/811061983.db2.gz DKMPQMUOIDTNJL-KBPBESRZSA-N 2 0 326.441 -0.414 20 0 EBADRP C[C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC[C@H]1[NH2+]CC(N)=O ZINC001036076218 811090251 /nfs/dbraw/zinc/09/02/51/811090251.db2.gz JLUVQQWPDVCNLU-UONOGXRCSA-N 2 0 340.468 -0.343 20 0 EBADRP CCOC(=O)c1cccc(CNC(=O)[C@@H]([NH3+])CSCC[NH3+])n1 ZINC001220403354 811097105 /nfs/dbraw/zinc/09/71/05/811097105.db2.gz OTXAYPAKXWMOIE-NSHDSACASA-N 2 0 326.422 -0.106 20 0 EBADRP CCCn1c(NC(=O)[C@@H]([NH3+])CCC[NH3+])cc(=O)n(CCC)c1=O ZINC001220424589 811102757 /nfs/dbraw/zinc/10/27/57/811102757.db2.gz LWQVKNMKZUXCSY-NSHDSACASA-N 2 0 325.413 -0.165 20 0 EBADRP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1[NH2+]Cc1nnnn1C ZINC001036162937 811112623 /nfs/dbraw/zinc/11/26/23/811112623.db2.gz XNYYBAVRCXUZJR-JSGCOSHPSA-N 2 0 335.456 -0.122 20 0 EBADRP CC(C)[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)C(=O)N1CCOCC1 ZINC001220453473 811112595 /nfs/dbraw/zinc/11/25/95/811112595.db2.gz DJAQSHABQUPQFS-JKIFEVAISA-N 2 0 338.452 -0.815 20 0 EBADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1[NH2+]CCN1CCNC1=O ZINC001036267446 811131649 /nfs/dbraw/zinc/13/16/49/811131649.db2.gz PPEFANKEIYUMOG-LSDHHAIUSA-N 2 0 349.479 -0.066 20 0 EBADRP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)NCCOCCOCC[NH3+] ZINC001220519638 811136019 /nfs/dbraw/zinc/13/60/19/811136019.db2.gz WCFLWHHUIMVTKN-GFCCVEGCSA-N 2 0 333.429 -0.456 20 0 EBADRP [NH3+]CCOCCOCCNC(=O)[C@H]([NH3+])C1CCC2(CC1)OCCO2 ZINC001220519634 811136097 /nfs/dbraw/zinc/13/60/97/811136097.db2.gz VUECBHVGTVXMKG-CQSZACIVSA-N 2 0 345.440 -0.645 20 0 EBADRP [NH3+]CCOCCOCCNC(=O)C1([NH3+])CCC2(CC1)OCCO2 ZINC001220519564 811136142 /nfs/dbraw/zinc/13/61/42/811136142.db2.gz SFDJMSYULKBDLT-UHFFFAOYSA-N 2 0 331.413 -0.891 20 0 EBADRP COC(=O)C[C@@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)c1cccnc1 ZINC001220530785 811142766 /nfs/dbraw/zinc/14/27/66/811142766.db2.gz XFSHFCLWCIIJOU-LSDHHAIUSA-N 2 0 349.435 -0.448 20 0 EBADRP COC(=O)C[C@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)c1cccnc1 ZINC001220530782 811143035 /nfs/dbraw/zinc/14/30/35/811143035.db2.gz XFSHFCLWCIIJOU-CABCVRRESA-N 2 0 349.435 -0.448 20 0 EBADRP CCOC(=O)[C@H](Cc1ccccn1)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220565903 811158176 /nfs/dbraw/zinc/15/81/76/811158176.db2.gz USDXDOANCHQGQC-KGLIPLIRSA-N 2 0 332.404 -0.519 20 0 EBADRP CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220654446 811191660 /nfs/dbraw/zinc/19/16/60/811191660.db2.gz SORUKTBLOUVWKS-RDJZCZTQSA-N 2 0 346.431 -0.137 20 0 EBADRP O=C(N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001220799375 811246269 /nfs/dbraw/zinc/24/62/69/811246269.db2.gz AANAQUZTLDPUQD-GMTAPVOTSA-N 2 0 348.369 -0.241 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])Cc2ccc(C(N)=O)cc2)C[NH2+]C1 ZINC001220828839 811257902 /nfs/dbraw/zinc/25/79/02/811257902.db2.gz VFVUKECVIKNSJT-ZDUSSCGKSA-N 2 0 346.387 -0.808 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@H](CC(C)C)NC(=O)C[NH3+])C[NH2+]C1 ZINC001220829896 811258785 /nfs/dbraw/zinc/25/87/85/811258785.db2.gz DYRFXVMSGKOHRU-NSHDSACASA-N 2 0 326.397 -0.987 20 0 EBADRP CCOC(=O)C1=C(NC(=O)c2cnc(N3CC[NH2+]CC3)cn2)C[NH2+]C1 ZINC001220831691 811261181 /nfs/dbraw/zinc/26/11/81/811261181.db2.gz BVEHRLQIQKYTED-UHFFFAOYSA-N 2 0 346.391 -0.964 20 0 EBADRP N[C@]1(C(=O)n2cc(Br)ccc2=NCC[NH3+])CC[NH2+]C1 ZINC001220870461 811276670 /nfs/dbraw/zinc/27/66/70/811276670.db2.gz KTPTYFFMLFHEPO-GFCCVEGCSA-N 2 0 328.214 -0.559 20 0 EBADRP O=C(NCC1CCN(c2cnccn2)CC1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220933062 811299280 /nfs/dbraw/zinc/29/92/80/811299280.db2.gz UULUCRGZYMBTKA-AWEZNQCLSA-N 2 0 330.436 -0.382 20 0 EBADRP [NH3+][C@@H](C(=O)NCCO[C@H]1CC[NH2+]C1)C1CCC2(CC1)OCCO2 ZINC001220936346 811301768 /nfs/dbraw/zinc/30/17/68/811301768.db2.gz FHFCESFTOZZARZ-UONOGXRCSA-N 2 0 327.425 -0.258 20 0 EBADRP [NH3+]C1(C(=O)NCc2ccccc2)CCN(C(=O)[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001220970829 811317821 /nfs/dbraw/zinc/31/78/21/811317821.db2.gz JCJYDKBZWXGXED-CABCVRRESA-N 2 0 346.431 -0.797 20 0 EBADRP [NH3+]C1(C(=O)NCc2ccccc2)CCN(C(=O)[C@@H]2C[NH2+]CCN2)CC1 ZINC001220971121 811318251 /nfs/dbraw/zinc/31/82/51/811318251.db2.gz UQAZJCLOMRBXPG-HNNXBMFYSA-N 2 0 345.447 -0.816 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O ZINC001220985988 811326483 /nfs/dbraw/zinc/32/64/83/811326483.db2.gz NIHLPSAZLWWJGA-IMJJTQAJSA-N 2 0 325.453 -0.084 20 0 EBADRP O=C(NCc1cccc(N2CCOCC2=O)c1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220990730 811330259 /nfs/dbraw/zinc/33/02/59/811330259.db2.gz WSWGRGQWFCPGCR-OAHLLOKOSA-N 2 0 344.415 -0.525 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@H]1CC[C@H](NC(=O)COC)CC1 ZINC001221006568 811340185 /nfs/dbraw/zinc/34/01/85/811340185.db2.gz JCAPNTMVSNAPPO-IHRRRGAJSA-N 2 0 328.457 -0.107 20 0 EBADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC001221007081 811341048 /nfs/dbraw/zinc/34/10/48/811341048.db2.gz UXCWDOAGVQEIEQ-IHRRRGAJSA-N 2 0 326.441 -0.530 20 0 EBADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001221062633 811357440 /nfs/dbraw/zinc/35/74/40/811357440.db2.gz VKVXDFZQBJKJEU-CVEARBPZSA-N 2 0 335.452 -0.080 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001037072356 811359697 /nfs/dbraw/zinc/35/96/97/811359697.db2.gz VKVANGFQTYSCMF-KGLIPLIRSA-N 2 0 335.456 -0.074 20 0 EBADRP CCC(CC)[C@@H](NC(=O)[C@@H](C)C[NH3+])[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221072535 811363124 /nfs/dbraw/zinc/36/31/24/811363124.db2.gz HLERODOKPDRXBA-FAWMDKCGSA-N 2 0 343.468 -0.001 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)C[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001221188022 811409404 /nfs/dbraw/zinc/40/94/04/811409404.db2.gz MQBCBSFBLSUKBJ-WWGRRREGSA-N 2 0 327.425 -0.068 20 0 EBADRP COC(=O)[C@@](C)(NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C(F)(F)F ZINC001221221705 811419132 /nfs/dbraw/zinc/41/91/32/811419132.db2.gz VPALAYVPAXJOOT-JOYOIKCWSA-N 2 0 340.346 -0.653 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCCCCCO ZINC001221283658 811432274 /nfs/dbraw/zinc/43/22/74/811432274.db2.gz ZSCOIAPJDHMSGZ-KBPBESRZSA-N 2 0 328.457 -0.288 20 0 EBADRP CCOC(=O)C1(C(=O)N2CCC(C3=CC=C(N)C[NH2+]3)CC2)C[NH2+]C1 ZINC001221391359 811449376 /nfs/dbraw/zinc/44/93/76/811449376.db2.gz LSOLIAHDXGJPCW-UHFFFAOYSA-N 2 0 334.420 -0.293 20 0 EBADRP COc1cccc([C@@H](C[NH3+])NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001221405713 811450772 /nfs/dbraw/zinc/45/07/72/811450772.db2.gz VRNWRDIXEZCDIF-HZPDHXFCSA-N 3 0 335.452 -0.438 20 0 EBADRP C[NH+]1CCC(CO)(NC(=O)[C@H](Cc2ccccc2)NC(=O)C[NH3+])CC1 ZINC001221406658 811451206 /nfs/dbraw/zinc/45/12/06/811451206.db2.gz SVZPVGSYCYOMJE-HNNXBMFYSA-N 2 0 348.447 -0.755 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]CCN1Cc1cccc(C(=O)NCC[NH3+])c1 ZINC001222080319 811593514 /nfs/dbraw/zinc/59/35/14/811593514.db2.gz JGIHYSKNJXYAFL-HNNXBMFYSA-N 2 0 334.420 -0.288 20 0 EBADRP CC1(C)O[C@@H]2O[C@@H](C[NH+]3CCC4(CC3)C[NH2+]CCO4)[C@@H](O)[C@@H]2O1 ZINC001222207688 811609654 /nfs/dbraw/zinc/60/96/54/811609654.db2.gz CYBAPUROFVRVIQ-CRWXNKLISA-N 2 0 328.409 -0.322 20 0 EBADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079707849 811676290 /nfs/dbraw/zinc/67/62/90/811676290.db2.gz WVQCMSSRUBIGPH-VNQPRFMTSA-N 2 0 349.479 -0.210 20 0 EBADRP CC[C@H](C(=O)NCC1CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1)[NH+](C)C ZINC001223596531 811715361 /nfs/dbraw/zinc/71/53/61/811715361.db2.gz COQZHEINNAIWPI-WCQYABFASA-N 2 0 341.456 -0.262 20 0 EBADRP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001079802356 811728080 /nfs/dbraw/zinc/72/80/80/811728080.db2.gz FSAUJTCLMMDWLY-CQSZACIVSA-N 2 0 340.468 -0.424 20 0 EBADRP CCN(C(=O)C[NH+]1CCCC1)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001079807352 811734721 /nfs/dbraw/zinc/73/47/21/811734721.db2.gz SKVMDXUNPFXHFW-UHFFFAOYSA-N 2 0 340.468 -0.280 20 0 EBADRP C[C@@H](C(N)=O)[NH+]1CCC(CNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001225020076 811788102 /nfs/dbraw/zinc/78/81/02/811788102.db2.gz NMWDJKZPHPDFJT-ZDUSSCGKSA-N 2 0 340.468 -0.201 20 0 EBADRP O=C(NCC1CC[NH+](CCOCCO)CC1)C12CC[NH+](CC1)C2 ZINC001225155406 811796176 /nfs/dbraw/zinc/79/61/76/811796176.db2.gz WICXHUNNYOUCIM-UHFFFAOYSA-N 2 0 325.453 -0.081 20 0 EBADRP CN1CC[C@H]([NH+]2CCC(CNC(=O)COCC[NH+](C)C)CC2)C1=O ZINC001225167911 811797052 /nfs/dbraw/zinc/79/70/52/811797052.db2.gz FPXYKCVPWWVKEG-HNNXBMFYSA-N 2 0 340.468 -0.377 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC001225251387 811800115 /nfs/dbraw/zinc/80/01/15/811800115.db2.gz FEQDAEHUQDNLRK-UHFFFAOYSA-N 2 0 348.513 -0.294 20 0 EBADRP COCCOC[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001226555511 811870133 /nfs/dbraw/zinc/87/01/33/811870133.db2.gz XKIDCZJPLXBPOA-HOTGVXAUSA-N 2 0 343.468 -0.315 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228354989 811975946 /nfs/dbraw/zinc/97/59/46/811975946.db2.gz GMXAQMIWYAUHOY-YNEHKIRRSA-N 2 0 341.456 -0.201 20 0 EBADRP COCCOC[C@@H](O)C[NH+]1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228904408 812003792 /nfs/dbraw/zinc/00/37/92/812003792.db2.gz DTPLBSHXQGRUIJ-INIZCTEOSA-N 2 0 345.484 -0.067 20 0 EBADRP CNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001229806318 812056728 /nfs/dbraw/zinc/05/67/28/812056728.db2.gz BOUGXXADLWFPSU-CYBMUJFWSA-N 2 0 340.468 -0.188 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001229877717 812060787 /nfs/dbraw/zinc/06/07/87/812060787.db2.gz YLSFMMMKNCILIW-YNEHKIRRSA-N 2 0 341.456 -0.071 20 0 EBADRP CS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001230147829 812080555 /nfs/dbraw/zinc/08/05/55/812080555.db2.gz RZAWBMBSPTWOFB-ZIAGYGMSSA-N 2 0 346.497 -0.352 20 0 EBADRP CN(CC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1)S(C)(=O)=O ZINC001230262974 812093417 /nfs/dbraw/zinc/09/34/17/812093417.db2.gz ZZZPLYMVZHFQET-ZDUSSCGKSA-N 2 0 346.497 -0.590 20 0 EBADRP CC(=O)NCCOCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001230262567 812093570 /nfs/dbraw/zinc/09/35/70/812093570.db2.gz GNZRCJQYVSUUDL-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001230275000 812096322 /nfs/dbraw/zinc/09/63/22/812096322.db2.gz XSVGQNAUYOZNFT-YNEHKIRRSA-N 2 0 341.456 -0.073 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001230284679 812097290 /nfs/dbraw/zinc/09/72/90/812097290.db2.gz QBZAKRMZPTUINE-VXGBXAGGSA-N 2 0 327.429 -0.462 20 0 EBADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080783661 812230208 /nfs/dbraw/zinc/23/02/08/812230208.db2.gz ZPZBJRWWNMDYOZ-QLFBSQMISA-N 2 0 337.468 -0.210 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC1(CO)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001080889958 812323589 /nfs/dbraw/zinc/32/35/89/812323589.db2.gz GESIYIHJNNETER-UHFFFAOYSA-N 2 0 342.484 -0.252 20 0 EBADRP [NH3+]CCNC(=O)c1cccc(CN2CCO[C@]3(C2)C[NH2+]CCOC3)c1 ZINC001234997830 812459273 /nfs/dbraw/zinc/45/92/73/812459273.db2.gz LFBVTTVZDCSHMT-SFHVURJKSA-N 2 0 348.447 -0.434 20 0 EBADRP Cn1ncc(Br)c1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870290 812514746 /nfs/dbraw/zinc/51/47/46/812514746.db2.gz JWEXCJSQUOTMFZ-UHFFFAOYSA-N 2 0 345.289 -0.233 20 0 EBADRP C[NH2+]CCN1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001236262279 812516078 /nfs/dbraw/zinc/51/60/78/812516078.db2.gz KSDAWDHWEFSGLD-KBPBESRZSA-N 2 0 345.438 -0.579 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cc2c(cn1)OCCO2 ZINC001236311907 812516739 /nfs/dbraw/zinc/51/67/39/812516739.db2.gz XFLXEJHTPQYZNY-UHFFFAOYSA-N 2 0 337.424 -0.531 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O)[C@H]1CCC[NH2+]C1 ZINC001236925455 812519873 /nfs/dbraw/zinc/51/98/73/812519873.db2.gz YAZSJLAHIXXXPM-QMHWVQJVSA-N 2 0 343.468 -0.161 20 0 EBADRP O=S(=O)(Nc1c(O)cccc1N1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC001237825624 812521829 /nfs/dbraw/zinc/52/18/29/812521829.db2.gz LAKMZSNZEGJGGZ-NSHDSACASA-N 2 0 326.422 -0.095 20 0 EBADRP CCOC(=O)C[C@H](NS(=O)(=O)C1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001238510944 812529221 /nfs/dbraw/zinc/52/92/21/812529221.db2.gz DQJLCMLOMWXKCK-AWEZNQCLSA-N 2 0 347.481 -0.021 20 0 EBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001239045745 812539753 /nfs/dbraw/zinc/53/97/53/812539753.db2.gz RBCIYCIISWTFHK-OAHLLOKOSA-N 2 0 347.481 -0.603 20 0 EBADRP O=S(=O)(C1CC[NH2+]CC1)N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001239045262 812539832 /nfs/dbraw/zinc/53/98/32/812539832.db2.gz OJSYJVOBRYUMPJ-AWEZNQCLSA-N 2 0 333.454 -0.851 20 0 EBADRP [NH3+]CCS(=O)(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001239081665 812542026 /nfs/dbraw/zinc/54/20/26/812542026.db2.gz NOEBIKDROCUYIE-GJZGRUSLSA-N 2 0 340.449 -0.355 20 0 EBADRP Cc1ccc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001239130770 812546153 /nfs/dbraw/zinc/54/61/53/812546153.db2.gz FMSXOECXFZNUGU-UHFFFAOYSA-N 2 0 342.465 -0.200 20 0 EBADRP C[NH+](C)CCN(C1CC[NH2+]CC1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC001239168386 812549841 /nfs/dbraw/zinc/54/98/41/812549841.db2.gz ZRMBJRFLNHCTCA-UHFFFAOYSA-N 3 0 332.514 -0.069 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(S(=O)(=O)CC1CC[NH2+]CC1)CC2 ZINC001239173560 812550155 /nfs/dbraw/zinc/55/01/55/812550155.db2.gz SMMRHERLQWYSID-ZFWWWQNUSA-N 2 0 345.465 -0.457 20 0 EBADRP c1nc(N2CC[NH2+]CC2)ncc1-c1cnc(N2CC[NH2+]CC2)nc1 ZINC001241897195 812555393 /nfs/dbraw/zinc/55/53/93/812555393.db2.gz BLDBXQKQVIPJLI-UHFFFAOYSA-N 2 0 326.408 -0.247 20 0 EBADRP O[C@@H](CNc1ccc(N2CC[NH2+]CC2)nc1)CC1(O)CC[NH2+]CC1 ZINC001245957419 812556224 /nfs/dbraw/zinc/55/62/24/812556224.db2.gz STACHEPZTNVKSI-OAHLLOKOSA-N 2 0 335.452 -0.231 20 0 EBADRP O[C@H](C[NH2+]C[C@@H]1COC2(C1)CC[NH2+]CC2)CC1(O)CC[NH2+]CC1 ZINC001245980189 812557035 /nfs/dbraw/zinc/55/70/35/812557035.db2.gz NBXGNULLGWDFMZ-CABCVRRESA-N 3 0 327.469 -0.400 20 0 EBADRP CCOC(=O)C1(C[NH2+]C[C@H](O)CC2(O)CC[NH2+]CC2)CC[NH2+]CC1 ZINC001246005025 812558161 /nfs/dbraw/zinc/55/81/61/812558161.db2.gz QJBKCEKYKQJQCZ-CQSZACIVSA-N 3 0 343.468 -0.626 20 0 EBADRP O[C@H](C[NH2+][C@@H]1CCOC2(CC[NH2+]CC2)C1)CC1(O)CC[NH2+]CC1 ZINC001245993342 812558254 /nfs/dbraw/zinc/55/82/54/812558254.db2.gz JFVVROGJSOIROW-CABCVRRESA-N 3 0 327.469 -0.257 20 0 EBADRP O[C@H](C[NH2+][C@H]1CCOC2(CC[NH2+]CC2)C1)CC1(O)CC[NH2+]CC1 ZINC001245993343 812558387 /nfs/dbraw/zinc/55/83/87/812558387.db2.gz JFVVROGJSOIROW-GJZGRUSLSA-N 3 0 327.469 -0.257 20 0 EBADRP CCOC(=O)C1=C(NC[C@@H](O)CC2(O)CC[NH2+]CC2)CC[NH2+]C1 ZINC001245996484 812558543 /nfs/dbraw/zinc/55/85/43/812558543.db2.gz RMMXANJWJLMXSO-LBPRGKRZSA-N 2 0 327.425 -0.748 20 0 EBADRP O[C@H](CN1CC[NH2+]C[C@]2(CCCCN2)C1)CC1(O)CC[NH2+]CC1 ZINC001246024288 812559230 /nfs/dbraw/zinc/55/92/30/812559230.db2.gz DXJKJJTYBJVURU-JKSUJKDBSA-N 2 0 326.485 -0.731 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCN2CC[NH2+]C[C@H]2C1 ZINC001246028294 812559529 /nfs/dbraw/zinc/55/95/29/812559529.db2.gz MLEXMJCQBNYOPV-YESZJQIVSA-N 2 0 340.418 -0.215 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC001246025238 812559987 /nfs/dbraw/zinc/55/99/87/812559987.db2.gz GUPWKLCUHAXABD-RCCFBDPRSA-N 2 0 335.448 -0.392 20 0 EBADRP COC(=O)[C@@H](N)C1CC[NH+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CC1 ZINC001246047238 812560471 /nfs/dbraw/zinc/56/04/71/812560471.db2.gz CBNMNDXCAVGMJH-KBPBESRZSA-N 2 0 329.441 -0.936 20 0 EBADRP CCOC(=O)[C@]12C[N@H+](C[C@H](O)CN3CCOCC3)C[C@H]1C[NH2+]CC2 ZINC001246046428 812561255 /nfs/dbraw/zinc/56/12/55/812561255.db2.gz NIMIMFJIUXIMJF-BFYDXBDKSA-N 2 0 341.452 -0.846 20 0 EBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)C[C@@H]1C(=O)OC ZINC001246085897 812565065 /nfs/dbraw/zinc/56/50/65/812565065.db2.gz AZZWIWPUVAHWOT-QKZHPOIUSA-N 2 0 332.372 -0.621 20 0 EBADRP O=C([C@@H]1C[C@H](N[C@@H]2COCCC23C[NH2+]C3)C[NH2+]1)N1CCSC1 ZINC001246140241 812566100 /nfs/dbraw/zinc/56/61/00/812566100.db2.gz ZUMZGZLYRFDKFP-RWMBFGLXSA-N 2 0 326.466 -0.782 20 0 EBADRP O=C([C@@H]1C[C@@H]([NH2+]CC[C@H]2CCOC23C[NH2+]C3)CN1)N1CCSC1 ZINC001246139486 812566253 /nfs/dbraw/zinc/56/62/53/812566253.db2.gz UVFBMUJLTQWFNW-MJBXVCDLSA-N 2 0 340.493 -0.392 20 0 EBADRP O=C([C@@H]1C[C@H](N[C@H]2COC3(C2)CC[NH2+]CC3)C[NH2+]1)N1CCSC1 ZINC001246186780 812567210 /nfs/dbraw/zinc/56/72/10/812567210.db2.gz ZCSREZIQKISJJW-MJBXVCDLSA-N 2 0 340.493 -0.250 20 0 EBADRP CCOC(=O)CC1(NC2C[C@H]3CC(C(=O)OC)C[C@@H](C2)[NH2+]3)C[NH2+]C1 ZINC001246245749 812569284 /nfs/dbraw/zinc/56/92/84/812569284.db2.gz ASQPXQIBHQPSLU-AKJUYKBHSA-N 2 0 339.436 -0.057 20 0 EBADRP [NH3+]CCCC[NH2+]CCCN[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246457167 812573060 /nfs/dbraw/zinc/57/30/60/812573060.db2.gz OFOULISNOSOKCO-KBPBESRZSA-N 3 0 329.514 -0.442 20 0 EBADRP C1COC2(CCC(N3CCO[C@]4(C3)C[NH2+]CCOC4)CC2)C[NH2+]1 ZINC001246632146 812577850 /nfs/dbraw/zinc/57/78/50/812577850.db2.gz UXNIMMUPZJVFJF-JCYILVPMSA-N 2 0 325.453 -0.022 20 0 EBADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CN1 ZINC001246675363 812580238 /nfs/dbraw/zinc/58/02/38/812580238.db2.gz XGLWMNXKCXRFTD-LZQHRPSPSA-N 2 0 337.420 -0.780 20 0 EBADRP COC(=O)[C@H]1C[C@H]([N@@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CN1 ZINC001246675358 812580459 /nfs/dbraw/zinc/58/04/59/812580459.db2.gz XGLWMNXKCXRFTD-AEMQQVFBSA-N 2 0 337.420 -0.780 20 0 EBADRP C[C@@H]1CC[C@H](N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)C[NH2+]1 ZINC001246740195 812585171 /nfs/dbraw/zinc/58/51/71/812585171.db2.gz UZZLVOPUYOCSSY-OLZOCXBDSA-N 2 0 341.481 -0.069 20 0 EBADRP COC(=O)C[C@H]1C[NH2+]CCN1C1C[C@H]2CC(C(=O)OC)C[C@@H](C1)[NH2+]2 ZINC001246817552 812589074 /nfs/dbraw/zinc/58/90/74/812589074.db2.gz LQKZIMXTWNPVFW-FTGKKSIPSA-N 2 0 339.436 -0.105 20 0 EBADRP COC(=O)[C@@H]1C[C@@H](C(=O)OC)C[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246823130 812589258 /nfs/dbraw/zinc/58/92/58/812589258.db2.gz NLJNEUFGCNZSLI-JHJVBQTASA-N 2 0 325.409 -0.636 20 0 EBADRP O=C([C@@H]1C[C@H](N2CC[C@H]3COC[C@@H](C2)[NH2+]3)C[NH2+]1)N1CCSC1 ZINC001246851425 812590869 /nfs/dbraw/zinc/59/08/69/812590869.db2.gz GAKGHWMTNJEYIY-CRWXNKLISA-N 2 0 326.466 -0.688 20 0 EBADRP O=C([C@@H]1C[C@H](N2CC(O)([C@@H]3CCCC[NH2+]3)C2)C[NH2+]1)N1CCSC1 ZINC001246898259 812591380 /nfs/dbraw/zinc/59/13/80/812591380.db2.gz MIJOLULODITHCC-IHRRRGAJSA-N 2 0 340.493 -0.561 20 0 EBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1C1C[C@H]2CC(C(=O)OC)C[C@@H](C1)[NH2+]2 ZINC001246903299 812591854 /nfs/dbraw/zinc/59/18/54/812591854.db2.gz JXBGSPBJVLATQN-AHMGJCLSSA-N 2 0 325.409 -0.367 20 0 EBADRP CN(CCN1CC[NH2+]CC1)[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246870060 812592244 /nfs/dbraw/zinc/59/22/44/812592244.db2.gz KAZUGJCJLGYUMQ-KBPBESRZSA-N 2 0 327.498 -0.913 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C1CCN(c2ncccn2)CC1 ZINC001246925688 812593013 /nfs/dbraw/zinc/59/30/13/812593013.db2.gz OPLAOBWZNFWXKH-UHFFFAOYSA-N 3 0 349.483 -0.439 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001246925814 812593279 /nfs/dbraw/zinc/59/32/79/812593279.db2.gz PRWVJTONUIHCNZ-UONOGXRCSA-N 3 0 325.457 -0.744 20 0 EBADRP C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@@H+]1C ZINC001253368265 812677884 /nfs/dbraw/zinc/67/78/84/812677884.db2.gz GDLMBBGZMUZMJT-QWHCGFSZSA-N 2 0 336.440 -0.018 20 0 EBADRP C[C@H](CC(=O)N1CCOCC1)[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001256342544 812731511 /nfs/dbraw/zinc/73/15/11/812731511.db2.gz HBFSFJIFWZEIRC-OAHLLOKOSA-N 2 0 340.468 -0.280 20 0 EBADRP [NH3+]CCN(CC[NH2+]C1CCC([NH+]2CCOCC2)CC1)N(O)N=O ZINC001256681685 812737312 /nfs/dbraw/zinc/73/73/12/812737312.db2.gz ZFVPNDOYTIHXLF-UHFFFAOYSA-N 3 0 330.433 -0.232 20 0 EBADRP CC(C)[NH+]1CCC(NC(=O)CN2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC001261503066 812920855 /nfs/dbraw/zinc/92/08/55/812920855.db2.gz LCHUYWRQWPYJKZ-KRWDZBQOSA-N 2 0 337.512 -0.045 20 0 EBADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001261636119 812957955 /nfs/dbraw/zinc/95/79/55/812957955.db2.gz ZHURMJIXFSSICA-YUELXQCFSA-N 2 0 336.436 -0.824 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc[nH]c1=O ZINC001261798942 812986125 /nfs/dbraw/zinc/98/61/25/812986125.db2.gz YOPJPCONYDNSNJ-UHFFFAOYSA-N 2 0 337.424 -0.645 20 0 EBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC001262068013 813031737 /nfs/dbraw/zinc/03/17/37/813031737.db2.gz PLWIONKYPIVGFJ-OKILXGFUSA-N 2 0 338.452 -0.399 20 0 EBADRP CC[NH+](CC)C1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC001262202937 813046639 /nfs/dbraw/zinc/04/66/39/813046639.db2.gz HCVDPULYXROFLK-UHFFFAOYSA-N 2 0 339.484 -0.659 20 0 EBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001262545676 813093020 /nfs/dbraw/zinc/09/30/20/813093020.db2.gz FWGZWCLZDNKSQB-MJBXVCDLSA-N 2 0 326.441 -0.984 20 0 EBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001262545675 813093411 /nfs/dbraw/zinc/09/34/11/813093411.db2.gz FWGZWCLZDNKSQB-MELADBBJSA-N 2 0 326.441 -0.984 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2C[C@@H](N3CCOCC3)C2(C)C)CC1 ZINC001262576728 813096630 /nfs/dbraw/zinc/09/66/30/813096630.db2.gz XHKBZDXCBPSOEQ-BRWVUGGUSA-N 2 0 340.512 -0.316 20 0 EBADRP C[C@@H]1CN(CCO)CCN1C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001262593552 813097508 /nfs/dbraw/zinc/09/75/08/813097508.db2.gz WUAPBTSKYDUFHH-MRXNPFEDSA-N 2 0 341.500 -0.230 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CCO1 ZINC001263161527 813108985 /nfs/dbraw/zinc/10/89/85/813108985.db2.gz IFPWKENXRRBIOA-HUUCEWRRSA-N 2 0 340.468 -0.247 20 0 EBADRP C/C(=C/C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC001263807237 813119440 /nfs/dbraw/zinc/11/94/40/813119440.db2.gz WSIIQSIYQBFFDW-PWKGVFITSA-N 2 0 346.475 -0.027 20 0 EBADRP CN(CCOCC[N@H+](C)[C@@H]1CCN(C)C1=O)C(=O)C[NH+]1CCCC1 ZINC001264111211 813155473 /nfs/dbraw/zinc/15/54/73/813155473.db2.gz BMTHPIBRURMENM-OAHLLOKOSA-N 2 0 340.468 -0.280 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001081553918 813168968 /nfs/dbraw/zinc/16/89/68/813168968.db2.gz PBUYXFBFYRMPNV-HUUCEWRRSA-N 2 0 342.484 -0.396 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081571204 813207151 /nfs/dbraw/zinc/20/71/51/813207151.db2.gz GIXRPYHFUUQIFD-KGLIPLIRSA-N 2 0 342.484 -0.396 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081571205 813207195 /nfs/dbraw/zinc/20/71/95/813207195.db2.gz GIXRPYHFUUQIFD-UONOGXRCSA-N 2 0 342.484 -0.396 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001264971041 813207638 /nfs/dbraw/zinc/20/76/38/813207638.db2.gz GZMCMKBAAWYQMR-NEPJUHHUSA-N 2 0 327.429 -0.637 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001081575739 813217208 /nfs/dbraw/zinc/21/72/08/813217208.db2.gz YHTWIPJSXWBOIV-HUUCEWRRSA-N 2 0 340.468 -0.785 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](C[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001265635297 813352460 /nfs/dbraw/zinc/35/24/60/813352460.db2.gz ULNTUGOGZBQHNI-KBPBESRZSA-N 2 0 331.482 -0.189 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081703695 813442302 /nfs/dbraw/zinc/44/23/02/813442302.db2.gz TXRRSHMDVVJEJU-CABCVRRESA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081732317 813486862 /nfs/dbraw/zinc/48/68/62/813486862.db2.gz GKFOSTWEXMCKQE-KGLIPLIRSA-N 2 0 328.457 -0.785 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CCNS(C)(=O)=O)C1CC1 ZINC001266415192 813562427 /nfs/dbraw/zinc/56/24/27/813562427.db2.gz RVJWPFCYWDOMRJ-KGLIPLIRSA-N 2 0 346.497 -0.496 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001266583044 813614086 /nfs/dbraw/zinc/61/40/86/813614086.db2.gz KQVCPUPQRZGVBV-KBUPBQIOSA-N 2 0 340.468 -0.141 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001266599333 813617914 /nfs/dbraw/zinc/61/79/14/813617914.db2.gz HJHHWYYOLWSIGT-AAVRWANBSA-N 2 0 336.436 -0.097 20 0 EBADRP CN(CC[NH2+]C[C@H]1CCS(=O)(=O)C1)C(=O)C1([NH+](C)C)CCC1 ZINC001266724176 813651488 /nfs/dbraw/zinc/65/14/88/813651488.db2.gz HCDNVBRYSHJSCE-CYBMUJFWSA-N 2 0 331.482 -0.047 20 0 EBADRP COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001081959458 813691896 /nfs/dbraw/zinc/69/18/96/813691896.db2.gz JIUHLECTBBTEHM-QJNCVLDKSA-N 2 0 339.436 -0.689 20 0 EBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001266927737 813702418 /nfs/dbraw/zinc/70/24/18/813702418.db2.gz LTRJDFRSCDQAHX-VXGBXAGGSA-N 2 0 339.440 -0.495 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001267025187 813738272 /nfs/dbraw/zinc/73/82/72/813738272.db2.gz MEEULTOCHJIJOZ-STQMWFEESA-N 2 0 332.470 -0.932 20 0 EBADRP CC(=O)NCCOCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267280380 813820663 /nfs/dbraw/zinc/82/06/63/813820663.db2.gz ADDXGKMEILETTA-HZPDHXFCSA-N 2 0 340.468 -0.329 20 0 EBADRP CN(CC[NH2+]CC(=O)NC[C@H]1CCCO1)C(=O)C12CC[NH+](CC1)C2 ZINC001267456892 813902449 /nfs/dbraw/zinc/90/24/49/813902449.db2.gz MOHZITWABSULLZ-CQSZACIVSA-N 2 0 338.452 -0.575 20 0 EBADRP COCCOC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267607215 813949983 /nfs/dbraw/zinc/94/99/83/813949983.db2.gz TWHOTUGQSKAGAH-HRCADAONSA-N 2 0 343.468 -0.315 20 0 EBADRP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001082518055 813961619 /nfs/dbraw/zinc/96/16/19/813961619.db2.gz XDNSIJYMCYUBJU-UMVBOHGHSA-N 2 0 348.451 -0.617 20 0 EBADRP CC(=O)NCCOCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267634819 813963453 /nfs/dbraw/zinc/96/34/53/813963453.db2.gz QONQSLJCUKGILZ-HOTGVXAUSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082861432 814016796 /nfs/dbraw/zinc/01/67/96/814016796.db2.gz AOMXPFLJXSJQCH-QLFBSQMISA-N 2 0 337.468 -0.210 20 0 EBADRP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCN1C(=O)CCC1=O ZINC001267820205 814049181 /nfs/dbraw/zinc/04/91/81/814049181.db2.gz OMQMIFYOHGYHDW-KGLIPLIRSA-N 2 0 338.452 -0.038 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267971258 814081708 /nfs/dbraw/zinc/08/17/08/814081708.db2.gz RWHRESXURABFRW-UONOGXRCSA-N 2 0 346.497 -0.542 20 0 EBADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001268142879 814133250 /nfs/dbraw/zinc/13/32/50/814133250.db2.gz RWBQZLXXCZXIEA-KBPBESRZSA-N 2 0 346.497 -0.542 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001268164084 814137945 /nfs/dbraw/zinc/13/79/45/814137945.db2.gz SUWPWLYLWUTHIB-ZDUSSCGKSA-N 2 0 341.456 -0.246 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCn1cc(Cl)cn1 ZINC001268301042 814177386 /nfs/dbraw/zinc/17/73/86/814177386.db2.gz VYZDAQKDXJLRCL-OLZOCXBDSA-N 2 0 329.832 -0.303 20 0 EBADRP C[C@H](CC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001268403247 814232639 /nfs/dbraw/zinc/23/26/39/814232639.db2.gz KXJQZZJTOUGQET-OLZOCXBDSA-N 2 0 341.456 -0.070 20 0 EBADRP CCN(CC[NH2+]CC(=O)NC(N)=O)C(=O)C12CCC[NH+](CCC1)C2 ZINC001268458153 814249214 /nfs/dbraw/zinc/24/92/14/814249214.db2.gz FVAQMULDGWZRQU-UHFFFAOYSA-N 2 0 339.440 -0.505 20 0 EBADRP C[C@@H](C[NH2+]CCN1CCCS1(=O)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268701273 814357075 /nfs/dbraw/zinc/35/70/75/814357075.db2.gz YWCCZHBRZFGCTC-QWHCGFSZSA-N 2 0 332.470 -0.790 20 0 EBADRP CC(C)[C@H](C(=O)N(C)CCC[NH2+][C@@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001268920915 814442983 /nfs/dbraw/zinc/44/29/83/814442983.db2.gz YWAVDSIVECCJAY-TZMCWYRMSA-N 2 0 326.441 -0.184 20 0 EBADRP CN(CCC[NH2+]CCN1CCCS1(=O)=O)C(=O)Cn1ccnc1 ZINC001268964593 814459571 /nfs/dbraw/zinc/45/95/71/814459571.db2.gz UJALBXMOFVSYMK-UHFFFAOYSA-N 2 0 343.453 -0.643 20 0 EBADRP CN(CC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccc(=O)[nH]1)C(N)=[NH2+] ZINC001268995818 814466551 /nfs/dbraw/zinc/46/65/51/814466551.db2.gz BXEOEOALOJQDDT-STQMWFEESA-N 2 0 332.408 -0.212 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccn(C)c(=O)c3)C[C@@H]2O)CC[N@@H+]1C ZINC001083472820 814467626 /nfs/dbraw/zinc/46/76/26/814467626.db2.gz RVSGWCIHRWPRQB-MIGQKNRLSA-N 2 0 348.447 -0.613 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@@H]2O)CC[N@@H+]1C ZINC001083472574 814467817 /nfs/dbraw/zinc/46/78/17/814467817.db2.gz FSQCTXUEXIUXKU-MIGQKNRLSA-N 2 0 335.452 -0.536 20 0 EBADRP CC(=O)NCCOCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001269220781 814583543 /nfs/dbraw/zinc/58/35/43/814583543.db2.gz CHDPIKVICPAMRA-JKSUJKDBSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCN1C(=O)CNC1=O ZINC001269407758 814679395 /nfs/dbraw/zinc/67/93/95/814679395.db2.gz HRYCWKKAIVHVES-JHJVBQTASA-N 2 0 339.440 -0.637 20 0 EBADRP C[C@@H](C(=O)N1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1)[NH+](C)C ZINC001269797028 815608505 /nfs/dbraw/zinc/60/85/05/815608505.db2.gz OJGKPHIZIUTUOY-GUYCJALGSA-N 2 0 338.452 -0.134 20 0 EBADRP O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001083937007 815723683 /nfs/dbraw/zinc/72/36/83/815723683.db2.gz HIQAXTNHTLNWRY-CVEARBPZSA-N 2 0 325.453 -0.348 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083954972 815737896 /nfs/dbraw/zinc/73/78/96/815737896.db2.gz QTJUSPKAARIHAO-OAGGEKHMSA-N 2 0 325.453 -0.084 20 0 EBADRP Cn1ccc(C[N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)cc1=O ZINC001083958755 815740437 /nfs/dbraw/zinc/74/04/37/815740437.db2.gz UTXPPBLOKXFJPQ-CABCVRRESA-N 2 0 346.431 -0.858 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CO)cc3)C[C@@H]2O)C1 ZINC001084053757 815798106 /nfs/dbraw/zinc/79/81/06/815798106.db2.gz JSDHRGRBKXHXJG-ZACQAIPSSA-N 2 0 333.432 -0.208 20 0 EBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CCN(C)S(C)(=O)=O ZINC001270568607 815814700 /nfs/dbraw/zinc/81/47/00/815814700.db2.gz NSABKOOCPMHPJS-ZDUSSCGKSA-N 2 0 346.497 -0.685 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C[C@@H]3C(=O)NC3CC[NH+](C)CC3)C2)C1 ZINC001271176347 816018969 /nfs/dbraw/zinc/01/89/69/816018969.db2.gz PPUCWCWTPYSFDP-UKRRQHHQSA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)[C@@H](C)C[NH2+]CCS(C)(=O)=O ZINC001271208391 816035928 /nfs/dbraw/zinc/03/59/28/816035928.db2.gz QDAWTSXNSRLHKF-KGLIPLIRSA-N 2 0 349.497 -0.564 20 0 EBADRP C[C@@H](C[NH2+]CCCS(=O)(=O)N(C)C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001271210601 816036403 /nfs/dbraw/zinc/03/64/03/816036403.db2.gz YMSDMMPNMAQTQF-UONOGXRCSA-N 2 0 348.513 -0.344 20 0 EBADRP Cn1nncc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001086091630 816226436 /nfs/dbraw/zinc/22/64/36/816226436.db2.gz HHCKDODCFSCNCN-FQLMCAECSA-N 2 0 348.451 -0.337 20 0 EBADRP Cn1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)nn1 ZINC001086091922 816227919 /nfs/dbraw/zinc/22/79/19/816227919.db2.gz SLKXMMPXSSKGIK-LQKXBSAESA-N 2 0 348.451 -0.337 20 0 EBADRP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001271939556 816259701 /nfs/dbraw/zinc/25/97/01/816259701.db2.gz FWJUXZLWUBDBCL-IKGGRYGDSA-N 2 0 336.480 -0.199 20 0 EBADRP CN1CC[NH+](CCCC(=O)N2CC3(CN(CC[NH+](C)C)C3)C2)CC1 ZINC001272018258 816290954 /nfs/dbraw/zinc/29/09/54/816290954.db2.gz RJSNAGLZDBWBRK-UHFFFAOYSA-N 2 0 337.512 -0.280 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001086327888 816299170 /nfs/dbraw/zinc/29/91/70/816299170.db2.gz SYTOZADPFGPNSD-RBSFLKMASA-N 2 0 338.452 -0.576 20 0 EBADRP O=C(NC[C@H]1C[C@H]([NH2+]CCn2cncn2)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001086373281 816310748 /nfs/dbraw/zinc/31/07/48/816310748.db2.gz RRHIHRBQOCMZML-KLHDSHLOSA-N 2 0 348.451 -0.374 20 0 EBADRP NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001086387341 816315151 /nfs/dbraw/zinc/31/51/51/816315151.db2.gz ZMRJQDOQOSYOQN-UMVBOHGHSA-N 2 0 338.452 -0.401 20 0 EBADRP CCn1nnc(C)c1C[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001272129770 816320320 /nfs/dbraw/zinc/32/03/20/816320320.db2.gz PRZFJLMQUILRDT-CQSZACIVSA-N 2 0 338.456 -0.389 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N(CCO)CC[NH2+]Cc2cnnn2C)CC[N@@H+]1C ZINC001272169354 816336595 /nfs/dbraw/zinc/33/65/95/816336595.db2.gz TWZDXVYVXZKJOS-LSDHHAIUSA-N 2 0 338.456 -0.544 20 0 EBADRP O=C(NC[C@@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)C12CC[NH+](CC1)C2 ZINC001086534469 816364863 /nfs/dbraw/zinc/36/48/63/816364863.db2.gz ISNSPLFFNCEIFU-HDJSIYSDSA-N 2 0 348.447 -0.284 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCNC(=O)NC(C)(C)C ZINC001272378451 816415250 /nfs/dbraw/zinc/41/52/50/816415250.db2.gz CIXPFLAEWGXXPL-QWHCGFSZSA-N 2 0 343.472 -0.755 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]CCn2cc(Cl)cn2)CC[N@@H+]1C ZINC001272426797 816428213 /nfs/dbraw/zinc/42/82/13/816428213.db2.gz XHUIVFHVFRTQMN-KWCYVHTRSA-N 2 0 343.859 -0.057 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@H](O)C[NH2+]CCN2CCCC2=O)CCC1 ZINC001272435531 816429659 /nfs/dbraw/zinc/42/96/59/816429659.db2.gz TYJBDSOQHJASAN-CYBMUJFWSA-N 2 0 326.441 -0.840 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1 ZINC001086996968 816440033 /nfs/dbraw/zinc/44/00/33/816440033.db2.gz DGCQPFMDNULRNY-CWRNSKLLSA-N 2 0 335.452 -0.219 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001272543951 816467851 /nfs/dbraw/zinc/46/78/51/816467851.db2.gz GZQYKSYDXUCDBH-ZIAGYGMSSA-N 2 0 338.452 -0.038 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CC[C@H]2C[NH+](CCn3ccnc3)C[C@H]21 ZINC001272565629 816476910 /nfs/dbraw/zinc/47/69/10/816476910.db2.gz NZVYFMYIFUQYEX-BBWFWOEESA-N 2 0 346.479 -0.338 20 0 EBADRP CCN1CCO[C@H](C(=O)N2CC[C@@H](CC[NH2+]CC(=O)N(C)C)C2)C1 ZINC001272642808 816499414 /nfs/dbraw/zinc/49/94/14/816499414.db2.gz XYYNSTQEDKCGMQ-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@H](CC[NH2+]Cc1nnnn1C1CC1)NC(=O)[C@H]1CN(C)CCO1 ZINC001272704904 816509069 /nfs/dbraw/zinc/50/90/69/816509069.db2.gz WQPAVPSFVIROGZ-DGCLKSJQSA-N 2 0 337.428 -0.677 20 0 EBADRP C[C@@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001273019314 816568686 /nfs/dbraw/zinc/56/86/86/816568686.db2.gz VHJCJMIAEZIWBY-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCN1CCOC[C@]2(CC(=O)N(CCn3ccnc3)C2)C1 ZINC001273106958 816587163 /nfs/dbraw/zinc/58/71/63/816587163.db2.gz BFFFVVNPXQSYFJ-QGZVFWFLSA-N 2 0 335.452 -0.004 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001087967871 816593868 /nfs/dbraw/zinc/59/38/68/816593868.db2.gz POSGZFQWWAUAJZ-PMPSAXMXSA-N 2 0 334.464 -0.146 20 0 EBADRP CCNC(=O)CN1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273698833 816729204 /nfs/dbraw/zinc/72/92/04/816729204.db2.gz DLRCHIPKGOMFJW-MRXNPFEDSA-N 2 0 326.441 -0.765 20 0 EBADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](C[C@H]3COCCO3)C2)OCC1=O ZINC001273773094 816755938 /nfs/dbraw/zinc/75/59/38/816755938.db2.gz BVBVEMJHRYTKMD-HOCLYGCPSA-N 2 0 327.425 -0.733 20 0 EBADRP CCN1CCO[C@@H](C(=O)N2CCC[C@@](CO)([NH2+]CCCOC)C2)C1 ZINC001273937522 816815529 /nfs/dbraw/zinc/81/55/29/816815529.db2.gz UMRNDSPGSSKQBI-NVXWUHKLSA-N 2 0 343.468 -0.313 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]C[C@@H](O)Cn2cccn2)CC[N@@H+]1C ZINC001274033990 816844941 /nfs/dbraw/zinc/84/49/41/816844941.db2.gz AXYYVKGJXKCKDO-ZZFUDSBHSA-N 2 0 335.452 -0.154 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC/C=C\C[NH2+][C@@H]2CCCNC2=O)n1 ZINC001274034899 816845517 /nfs/dbraw/zinc/84/55/17/816845517.db2.gz IZIIZCHZEIMEIS-VQTKUKTRSA-N 2 0 348.451 -0.401 20 0 EBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001274251705 816908912 /nfs/dbraw/zinc/90/89/12/816908912.db2.gz QMBIVDHIVGZVIW-STQMWFEESA-N 2 0 339.440 -0.684 20 0 EBADRP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1c[nH]ccc1=O)C2 ZINC001274453091 816965974 /nfs/dbraw/zinc/96/59/74/816965974.db2.gz RBKVMDFZMVPFDB-GOSISDBHSA-N 2 0 348.447 -0.013 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC(O)(C[NH2+]CCCO)CC1 ZINC001274521628 816990418 /nfs/dbraw/zinc/99/04/18/816990418.db2.gz WUEMJRIHQDFXEH-OAHLLOKOSA-N 2 0 325.453 -0.346 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CCN1CCCS1(=O)=O)[NH+](C)C ZINC001275417505 817211809 /nfs/dbraw/zinc/21/18/09/817211809.db2.gz KPIVULJKRSCBEJ-KBPBESRZSA-N 2 0 348.513 -0.298 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001090272470 817213697 /nfs/dbraw/zinc/21/36/97/817213697.db2.gz PFBGYUAZONHBEP-HIFRSBDPSA-N 2 0 339.440 -0.744 20 0 EBADRP C[NH+](C)CCN1C[C@@H]2OCCN(C(=O)[C@H]3CC4CC[NH+]3CC4)[C@H]2C1 ZINC001276456986 817407517 /nfs/dbraw/zinc/40/75/17/817407517.db2.gz BSMZJLFMMROBKG-IKGGRYGDSA-N 2 0 336.480 -0.056 20 0 EBADRP C[NH+](C)CCN1CCC2(CC1)NC(=O)[C@H]1C[N@H+](Cc3cn[nH]c3)C[C@@H]12 ZINC001276463331 817409360 /nfs/dbraw/zinc/40/93/60/817409360.db2.gz KFAJRCWRMROJBO-HOTGVXAUSA-N 2 0 346.479 -0.016 20 0 EBADRP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001277074638 817517974 /nfs/dbraw/zinc/51/79/74/817517974.db2.gz LGYHWAGXLSHHMX-JHJVBQTASA-N 2 0 339.440 -0.637 20 0 EBADRP C[N@H+](CCOCCNC(=O)[C@H]1CCCC[NH+]1C)[C@H]1CCNC1=O ZINC001277501729 817581907 /nfs/dbraw/zinc/58/19/07/817581907.db2.gz VRUWKSYOKUJZJO-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP COC[C@@H](C(=O)OC)[N@H+]1C[C@@H]2CC[NH+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001277572166 817600383 /nfs/dbraw/zinc/60/03/83/817600383.db2.gz WORLGELEIFIVHS-ZNMIVQPWSA-N 2 0 341.452 -0.094 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](O)C1 ZINC001090639782 817604438 /nfs/dbraw/zinc/60/44/38/817604438.db2.gz ZZSJSEVLWLPFBG-HUUCEWRRSA-N 2 0 339.440 -0.744 20 0 EBADRP COCCOC[C@H](O)CN1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001277617302 817609581 /nfs/dbraw/zinc/60/95/81/817609581.db2.gz FQLXFBFTCUQNSH-CVEARBPZSA-N 2 0 343.468 -0.363 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCN1CCNC1=O)[NH+](C)C ZINC001277883552 817652135 /nfs/dbraw/zinc/65/21/35/817652135.db2.gz KCVGZARVUMEKEJ-UONOGXRCSA-N 2 0 325.457 -0.068 20 0 EBADRP C[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)C1CC[NH+](C)CC1 ZINC001278399174 817752688 /nfs/dbraw/zinc/75/26/88/817752688.db2.gz VATFDTVNUCYZOO-JSGCOSHPSA-N 2 0 346.497 -0.544 20 0 EBADRP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC001278419962 817759025 /nfs/dbraw/zinc/75/90/25/817759025.db2.gz JBXDAHUVRVFYMX-MRXNPFEDSA-N 2 0 339.440 -0.539 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCNS(C)(=O)=O)C[C@H]1C ZINC001278424365 817759690 /nfs/dbraw/zinc/75/96/90/817759690.db2.gz QEAWXDUHSHPXJS-OLZOCXBDSA-N 2 0 334.486 -0.545 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCNS(C)(=O)=O)C[C@@H]1C ZINC001278424367 817759967 /nfs/dbraw/zinc/75/99/67/817759967.db2.gz QEAWXDUHSHPXJS-STQMWFEESA-N 2 0 334.486 -0.545 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NCC2CC([NH2+][C@H]3CCNC3=O)C2)n1 ZINC001091032928 817844556 /nfs/dbraw/zinc/84/45/56/817844556.db2.gz PWVJVMZOCGOARY-RUXDESIVSA-N 2 0 348.451 -0.569 20 0 EBADRP CN(CCOCC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001279430196 817930587 /nfs/dbraw/zinc/93/05/87/817930587.db2.gz XDWXQTJVCXBDMM-UONOGXRCSA-N 2 0 326.441 -0.624 20 0 EBADRP C[C@H]([NH2+]CCOCCN(C)C(=O)C12CC[NH+](CC1)C2)C(=O)N(C)C ZINC001279450457 817934751 /nfs/dbraw/zinc/93/47/51/817934751.db2.gz PIZTWUVIJABDGT-AWEZNQCLSA-N 2 0 340.468 -0.377 20 0 EBADRP COc1ccc(C[NH2+]CCN(CCO)C(=O)[C@H]2CCC[N@@H+]2C)nn1 ZINC001279672385 817966477 /nfs/dbraw/zinc/96/64/77/817966477.db2.gz IHURDJAHAVUOBN-CQSZACIVSA-N 2 0 337.424 -0.510 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC2CC([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001091365198 817970795 /nfs/dbraw/zinc/97/07/95/817970795.db2.gz SJKFIHXQOJRPML-MOKVOYLWSA-N 2 0 336.436 -0.429 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(CCO)CC[NH2+]CC(=O)N2CCCC2)C1 ZINC001279830515 817991231 /nfs/dbraw/zinc/99/12/31/817991231.db2.gz DPLCOWIEFGHAAV-OAHLLOKOSA-N 2 0 340.468 -0.639 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N(CCO)CC[NH2+]CC(=O)N2CCCC2)C1 ZINC001279886742 818002158 /nfs/dbraw/zinc/00/21/58/818002158.db2.gz UNXRNAJNQGLDND-HNNXBMFYSA-N 2 0 340.468 -0.639 20 0 EBADRP CC[C@@H](C(=O)NC1CC(C[NH2+]CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001282066481 818352770 /nfs/dbraw/zinc/35/27/70/818352770.db2.gz LGYHWAGXLSHHMX-BPCQOVAHSA-N 2 0 339.440 -0.637 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1C(=O)COCC[NH+](C)C ZINC001282347841 818395404 /nfs/dbraw/zinc/39/54/04/818395404.db2.gz DJMPTJMOCYDIGD-ILXRZTDVSA-N 2 0 340.468 -0.378 20 0 EBADRP COCCN1CC(N2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)CC2=O)C1 ZINC001094807838 818497565 /nfs/dbraw/zinc/49/75/65/818497565.db2.gz GFISKHCWYURNPI-KGLIPLIRSA-N 2 0 338.452 -0.624 20 0 EBADRP C[C@@H](CCC[NH2+]CCN1C(=O)CCC1=O)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283277882 818733660 /nfs/dbraw/zinc/73/36/60/818733660.db2.gz DPXZAJKCTIKWOC-UONOGXRCSA-N 2 0 338.452 -0.038 20 0 EBADRP C[C@@H](C(=O)N(C)C)[N@H+](C)CCOCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001283358512 818774296 /nfs/dbraw/zinc/77/42/96/818774296.db2.gz DCJFBSMJFVRWOK-KBPBESRZSA-N 2 0 328.457 -0.378 20 0 EBADRP C[N@H+](CCOCCNC(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CCCNC1=O ZINC001283389332 818790915 /nfs/dbraw/zinc/79/09/15/818790915.db2.gz WQKQKTSWROFWAW-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CNC2=O)C1 ZINC001096540420 818850095 /nfs/dbraw/zinc/85/00/95/818850095.db2.gz SVFICWTWAVFZRF-CRWXNKLISA-N 2 0 349.435 -0.789 20 0 EBADRP C[C@@H]1C[C@H]([NH2+]CCCS(=O)(=O)N(C)C)CN1C(=O)CC[NH+](C)C ZINC001284001632 819058477 /nfs/dbraw/zinc/05/84/77/819058477.db2.gz CDRQOTDOZAINMV-KGLIPLIRSA-N 2 0 348.513 -0.201 20 0 EBADRP C[NH+](C)CCOCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001284181386 819127959 /nfs/dbraw/zinc/12/79/59/819127959.db2.gz ZNFQTRMXJJXIQN-VIKVFOODSA-N 2 0 326.441 -0.911 20 0 EBADRP C[NH+](C)C1(C(=O)N2CCC([N@H+](CCO)CC(N)=O)CC2)CCC1 ZINC001098391873 819166041 /nfs/dbraw/zinc/16/60/41/819166041.db2.gz IUWTYAJAGZWKCS-UHFFFAOYSA-N 2 0 326.441 -0.759 20 0 EBADRP CNC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001098391335 819166058 /nfs/dbraw/zinc/16/60/58/819166058.db2.gz APVYYTUFPOBUQX-INIZCTEOSA-N 2 0 340.468 -0.642 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC([NH+](CCO)CC(N)=O)CC1 ZINC001098396123 819168597 /nfs/dbraw/zinc/16/85/97/819168597.db2.gz QMHBXVLYWJXTFS-AWEZNQCLSA-N 2 0 340.468 -0.369 20 0 EBADRP C[NH+](C)CCCC(=O)N1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C(C)(C)C1 ZINC001284313856 819180721 /nfs/dbraw/zinc/18/07/21/819180721.db2.gz TXIMXKRDJFIWOJ-STQMWFEESA-N 2 0 338.452 -0.040 20 0 EBADRP COC[C@H](O)C[N@H+](CCO)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001098449794 819194906 /nfs/dbraw/zinc/19/49/06/819194906.db2.gz NEHOXMVHXXPPAT-HZPDHXFCSA-N 2 0 343.468 -0.627 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC([NH+](CCO)CCCO)CC2)C1 ZINC001098477708 819208687 /nfs/dbraw/zinc/20/86/87/819208687.db2.gz FYSUEEZTHGSVHN-OAHLLOKOSA-N 2 0 327.469 -0.004 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098645499 819294256 /nfs/dbraw/zinc/29/42/56/819294256.db2.gz NYWMYVCJPIKXNH-GJZGRUSLSA-N 2 0 336.440 -0.382 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H](n2cc(C[NH2+]CCCO)nn2)C1)[NH+](C)C ZINC001098685570 819323639 /nfs/dbraw/zinc/32/36/39/819323639.db2.gz LPMWHRPGHUGKAG-HUUCEWRRSA-N 2 0 338.456 -0.136 20 0 EBADRP CN(CCOCC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001284870478 819382749 /nfs/dbraw/zinc/38/27/49/819382749.db2.gz QALGPMYBIBPBPP-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099871544 819805680 /nfs/dbraw/zinc/80/56/80/819805680.db2.gz GWWBJRQRDPDHIA-CVEARBPZSA-N 2 0 349.479 -0.002 20 0 EBADRP Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099880352 819823670 /nfs/dbraw/zinc/82/36/70/819823670.db2.gz YTZKTTBAEWNAFT-DLBZAZTESA-N 2 0 349.479 -0.002 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001286017397 819868013 /nfs/dbraw/zinc/86/80/13/819868013.db2.gz AYHDCWJRJDDQMT-UHFFFAOYSA-N 2 0 328.457 -0.426 20 0 EBADRP O=C(N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001099904238 819887011 /nfs/dbraw/zinc/88/70/11/819887011.db2.gz SABRJGKWYRAIMY-GJZGRUSLSA-N 2 0 341.452 -0.825 20 0 EBADRP O=C(N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O)c1ccc2c[nH+]cn2c1 ZINC001099916890 819912914 /nfs/dbraw/zinc/91/29/14/819912914.db2.gz VGJHXFQVZRYWIJ-HOTGVXAUSA-N 2 0 348.403 -0.492 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](CCn3cccn3)C[C@@H]2O)CC1 ZINC001099972347 819976734 /nfs/dbraw/zinc/97/67/34/819976734.db2.gz VKLVOWGSPAKPKC-CABCVRRESA-N 2 0 335.452 -0.224 20 0 EBADRP C[N@H+](CCc1ccccc1)CC(=O)N[C@@H]1CC[NH+](CCO)C[C@@H]1O ZINC001100013228 820038870 /nfs/dbraw/zinc/03/88/70/820038870.db2.gz JKEZIAYEPATLBT-SJORKVTESA-N 2 0 335.448 -0.295 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CCc2ccnn2C)C[C@@H]1O ZINC001100041101 820106918 /nfs/dbraw/zinc/10/69/18/820106918.db2.gz DZUKAHWHTWRMRS-CVEARBPZSA-N 2 0 337.468 -0.144 20 0 EBADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001100047196 820120515 /nfs/dbraw/zinc/12/05/15/820120515.db2.gz ZAKQALRWTXDULT-CVEARBPZSA-N 2 0 343.468 -0.721 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CCOCCOC)C[C@H]1O ZINC001100048510 820122113 /nfs/dbraw/zinc/12/21/13/820122113.db2.gz MTKRZHGYTZWDKC-HUUCEWRRSA-N 2 0 331.457 -0.457 20 0 EBADRP CCOCC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100050693 820125940 /nfs/dbraw/zinc/12/59/40/820125940.db2.gz LOGXHRIXPJEUTF-JKSUJKDBSA-N 2 0 343.468 -0.315 20 0 EBADRP CC(C)OCCC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076583 820170986 /nfs/dbraw/zinc/17/09/86/820170986.db2.gz NOZNBQMYKAITTF-HZPDHXFCSA-N 2 0 345.484 -0.069 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001100343617 820368708 /nfs/dbraw/zinc/36/87/08/820368708.db2.gz KYQNGPSMIOJMCQ-HBIQZDMRSA-N 2 0 325.413 -0.994 20 0 EBADRP C[NH+](C)C1(C(=O)NCC2CC([NH2+][C@@H]3CCC(=O)NC3=O)C2)CCC1 ZINC001100405707 820405791 /nfs/dbraw/zinc/40/57/91/820405791.db2.gz JVAYDZZAWDETOO-WXRRBKDZSA-N 2 0 336.436 -0.240 20 0 EBADRP C[NH+](C)C1(C(=O)NCC2CC([NH2+]CCN3CCNC3=O)C2)CCC1 ZINC001100405861 820406043 /nfs/dbraw/zinc/40/60/43/820406043.db2.gz PZLIUQGVJPIHDY-UHFFFAOYSA-N 2 0 337.468 -0.020 20 0 EBADRP C[C@H]([NH2+]C1CC(CNC(=O)C2([NH+](C)C)CCC2)C1)C(=O)NC(N)=O ZINC001100405810 820406072 /nfs/dbraw/zinc/40/60/72/820406072.db2.gz NJCDSRWELNQDGW-UNXYVOJBSA-N 2 0 339.440 -0.462 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCC1CC([NH2+]CCN2CCNC2=O)C1)C1CC1 ZINC001100407748 820407216 /nfs/dbraw/zinc/40/72/16/820407216.db2.gz IDSGCUKKZHUEAB-ZALBZXLWSA-N 2 0 337.468 -0.164 20 0 EBADRP CC[C@H](C(=O)NCC1CC([NH2+]CCN2CCNC2=O)C1)[NH+](C)C ZINC001100443444 820423536 /nfs/dbraw/zinc/42/35/36/820423536.db2.gz HQIDYFGIQNUTMN-JXQTWKCFSA-N 2 0 325.457 -0.164 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001100459290 820429823 /nfs/dbraw/zinc/42/98/23/820429823.db2.gz ZBTDYNLCNGQTIW-UHFFFAOYSA-N 2 0 338.456 -0.177 20 0 EBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001100522693 820455095 /nfs/dbraw/zinc/45/50/95/820455095.db2.gz BBMAWAJUUUMAHE-ZZTKBFGJSA-N 2 0 336.436 -0.920 20 0 EBADRP CCOCCNC(=O)C[NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100618822 820488779 /nfs/dbraw/zinc/48/87/79/820488779.db2.gz ZQDYKFMMIJHSLB-UHFFFAOYSA-N 2 0 342.484 -0.035 20 0 EBADRP C[NH+](C)CCCC(=O)NCC1CC([NH2+]CC(=O)N2CCOCC2)C1 ZINC001100619664 820489026 /nfs/dbraw/zinc/48/90/26/820489026.db2.gz ATUFUNLOSDIIML-UHFFFAOYSA-N 2 0 340.468 -0.329 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100621365 820489824 /nfs/dbraw/zinc/48/98/24/820489824.db2.gz ZNKLTWFIWRZGNF-PNESKVBLSA-N 2 0 341.456 -0.343 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]C2CC(CNC(=O)CC[NH+](C)C)C2)CCO1 ZINC001100638213 820496387 /nfs/dbraw/zinc/49/63/87/820496387.db2.gz AGROMZFSZVXVQO-NFOMZHRRSA-N 2 0 340.468 -0.330 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001100803616 820557502 /nfs/dbraw/zinc/55/75/02/820557502.db2.gz AIWKXIODMBYFDM-HSBZDZAISA-N 2 0 340.468 -0.284 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001100827707 820564364 /nfs/dbraw/zinc/56/43/64/820564364.db2.gz QKCGFVGVLCXATJ-UNXYVOJBSA-N 2 0 327.429 -0.604 20 0 EBADRP C[NH+](C)CCCCC(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100889949 820592245 /nfs/dbraw/zinc/59/22/45/820592245.db2.gz DXSMBEYSSFYHJZ-UHFFFAOYSA-N 2 0 327.429 -0.602 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+]CC(=O)NC(=O)NC)C1 ZINC001100898452 820593557 /nfs/dbraw/zinc/59/35/57/820593557.db2.gz GNFKPAGXIRCJHP-UHFFFAOYSA-N 2 0 341.456 -0.342 20 0 EBADRP O=C(C[NH+]1CCCC1)NCC1CC([NH2+]CC(=O)N2CCOCC2)C1 ZINC001100984832 820632987 /nfs/dbraw/zinc/63/29/87/820632987.db2.gz UUNQCJFBNVTNSC-UHFFFAOYSA-N 2 0 338.452 -0.575 20 0 EBADRP O=C(C[NH+]1CCCC1)NCC1CC([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001100984604 820633339 /nfs/dbraw/zinc/63/33/39/820633339.db2.gz OJXYYZKKXCRESG-UYSNPLJNSA-N 2 0 335.452 -0.176 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1CC([NH2+]CCN2CCNC2=O)C1 ZINC001101035830 820660176 /nfs/dbraw/zinc/66/01/76/820660176.db2.gz AXQHUBOLMFVOGN-UHFFFAOYSA-N 2 0 325.457 -0.164 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1 ZINC001101036196 820661568 /nfs/dbraw/zinc/66/15/68/820661568.db2.gz KCWMJZVBIITDKM-UHFFFAOYSA-N 2 0 334.486 -0.640 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC(N)=O)C[C@H]2C)CC[NH+]1C ZINC001101982821 820984142 /nfs/dbraw/zinc/98/41/42/820984142.db2.gz LBTAOJCNSVDSCT-FDYHWXHSSA-N 2 0 339.440 -0.794 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)COCC[NH+](C)C)C2)CC[N@@H+]1C ZINC001295038882 821039638 /nfs/dbraw/zinc/03/96/38/821039638.db2.gz NMQZBNZWAHRPGR-QLFBSQMISA-N 2 0 340.468 -0.378 20 0 EBADRP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102318762 821069737 /nfs/dbraw/zinc/06/97/37/821069737.db2.gz IVZGDIKGHURKEU-VXGBXAGGSA-N 2 0 327.429 -0.922 20 0 EBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)COCC[NH+](C)C ZINC001295575356 821127814 /nfs/dbraw/zinc/12/78/14/821127814.db2.gz RETNSYZMLOCCAA-ZDUSSCGKSA-N 2 0 326.441 -0.719 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579070 821160957 /nfs/dbraw/zinc/16/09/57/821160957.db2.gz HDOBYVPZLMLSLN-JHJVBQTASA-N 2 0 339.440 -0.650 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001102581028 821162721 /nfs/dbraw/zinc/16/27/21/821162721.db2.gz WBXDLOSCNRMMGR-HZSPNIEDSA-N 2 0 326.441 -0.876 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398107 821306378 /nfs/dbraw/zinc/30/63/78/821306378.db2.gz CWHAZFPXDQKDND-FRRDWIJNSA-N 2 0 341.456 -0.404 20 0 EBADRP C[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103641853 821336052 /nfs/dbraw/zinc/33/60/52/821336052.db2.gz GUFBGIIZWBLYPE-HZSPNIEDSA-N 2 0 328.457 -0.487 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001104621395 821524074 /nfs/dbraw/zinc/52/40/74/821524074.db2.gz DHEARCGWKFJXPU-MGPQQGTHSA-N 2 0 338.452 -0.183 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001105014741 821570855 /nfs/dbraw/zinc/57/08/55/821570855.db2.gz ZYZAVUPIEDZXCS-ZIAGYGMSSA-N 2 0 335.456 -0.120 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC(n3cc(C[NH2+]CCCO)nn3)C2)CC[N@@H+]1C ZINC001105243897 821643566 /nfs/dbraw/zinc/64/35/66/821643566.db2.gz LAOJQCBHAGWMOF-IUODEOHRSA-N 2 0 336.440 -0.526 20 0 EBADRP C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)C[N@H+](C)C3CCC3)C2)nn1 ZINC001105259738 821651796 /nfs/dbraw/zinc/65/17/96/821651796.db2.gz KLNYSCYHHZLIML-LBPRGKRZSA-N 2 0 336.440 -0.384 20 0 EBADRP C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001105268357 821658132 /nfs/dbraw/zinc/65/81/32/821658132.db2.gz KWRTYTQGICAQKK-SWLSCSKDSA-N 2 0 336.440 -0.384 20 0 EBADRP CC(C)[C@@H]1N(C(=O)CC[NH+](C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105660563 821789345 /nfs/dbraw/zinc/78/93/45/821789345.db2.gz WNZNUEYCWMAXJN-JHNDHUHGSA-N 2 0 327.469 -0.104 20 0 EBADRP Cc1nccn1CC(=O)N(C)C[C@H]1CCN1[C@H]1CCC(=O)NC1=O ZINC001316608194 821812622 /nfs/dbraw/zinc/81/26/22/821812622.db2.gz FUGHSHJDLOYPPQ-OLZOCXBDSA-N 2 0 333.392 -0.471 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)[NH+](C)C ZINC001316622428 821818748 /nfs/dbraw/zinc/81/87/48/821818748.db2.gz NVEJFKOYWNHUNE-QVHKTLOISA-N 2 0 338.452 -0.138 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001316823611 821869939 /nfs/dbraw/zinc/86/99/39/821869939.db2.gz GJYOPWIGQCMERX-NWDGAFQWSA-N 2 0 327.429 -0.650 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001317093465 822001843 /nfs/dbraw/zinc/00/18/43/822001843.db2.gz WTOBGRXEQLAXKR-AVGNSLFASA-N 2 0 332.470 -0.886 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001317111546 822005866 /nfs/dbraw/zinc/00/58/66/822005866.db2.gz HJHHWYYOLWSIGT-RQJABVFESA-N 2 0 336.436 -0.097 20 0 EBADRP COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317305650 822076851 /nfs/dbraw/zinc/07/68/51/822076851.db2.gz GIPBMXLVWBAGNU-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001317309467 822079199 /nfs/dbraw/zinc/07/91/99/822079199.db2.gz POMPDCHHSMSSIF-AWEZNQCLSA-N 2 0 346.497 -0.446 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001317321868 822082737 /nfs/dbraw/zinc/08/27/37/822082737.db2.gz KEOVHVFHVSBXPZ-ZBFHGGJFSA-N 2 0 349.479 -0.209 20 0 EBADRP C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCNS(C)(=O)=O ZINC001317413582 822104015 /nfs/dbraw/zinc/10/40/15/822104015.db2.gz YTIYPXGERVDNOW-GFCCVEGCSA-N 2 0 332.470 -0.884 20 0 EBADRP O=C(NC[C@@H]1CC[N@@H+](CCOCCO)C1)[C@@]12CC[NH+](C1)CCC2 ZINC001317536092 822149935 /nfs/dbraw/zinc/14/99/35/822149935.db2.gz UWRGHTSODHPIJO-RDJZCZTQSA-N 2 0 325.453 -0.081 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C2)CC[N@@H+]1C ZINC001106148464 822192777 /nfs/dbraw/zinc/19/27/77/822192777.db2.gz QIWKPKNSHQZIRP-FDYHWXHSSA-N 2 0 339.440 -0.794 20 0 EBADRP CC(C)NC(=O)C[NH2+]CCN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001317665439 822198561 /nfs/dbraw/zinc/19/85/61/822198561.db2.gz UJTXBWBYKBOXQM-CQSZACIVSA-N 2 0 328.457 -0.473 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106626963 822302166 /nfs/dbraw/zinc/30/21/66/822302166.db2.gz PJCMLUYPPXGYJX-CHWSQXEVSA-N 2 0 334.486 -0.829 20 0 EBADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+]CC(N)=O ZINC001106808494 822333877 /nfs/dbraw/zinc/33/38/77/822333877.db2.gz QLWNIUAFLDYHOJ-CHWSQXEVSA-N 2 0 326.441 -0.733 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)[C@H](C)C1 ZINC001106840058 822339356 /nfs/dbraw/zinc/33/93/56/822339356.db2.gz WFUVTPCDSGJWLK-MCIONIFRSA-N 2 0 338.452 -0.183 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106884491 822348066 /nfs/dbraw/zinc/34/80/66/822348066.db2.gz HMTSARQCVVZFBE-HUUCEWRRSA-N 2 0 349.479 -0.209 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1 ZINC001106910483 822352547 /nfs/dbraw/zinc/35/25/47/822352547.db2.gz ZWAKZABICGSSLX-CHWSQXEVSA-N 2 0 338.456 -0.366 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001128533858 828470907 /nfs/dbraw/zinc/47/09/07/828470907.db2.gz RYFFIHXXPUQKHK-LBPRGKRZSA-N 2 0 340.465 -0.737 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001128532911 828470970 /nfs/dbraw/zinc/47/09/70/828470970.db2.gz AVBHCUWGTKNSHK-LLVKDONJSA-N 2 0 333.408 -0.782 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001128774158 828524459 /nfs/dbraw/zinc/52/44/59/828524459.db2.gz NCQMPMOHRWUUMS-AWEZNQCLSA-N 2 0 326.441 -0.575 20 0 EBADRP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129220294 828582510 /nfs/dbraw/zinc/58/25/10/828582510.db2.gz UMNFRMVKVBQTQS-MJBXVCDLSA-N 2 0 336.440 -0.658 20 0 EBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001129333985 828599419 /nfs/dbraw/zinc/59/94/19/828599419.db2.gz KSSXAULHXYJPKM-VXGBXAGGSA-N 2 0 327.429 -0.747 20 0 EBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001129333984 828599781 /nfs/dbraw/zinc/59/97/81/828599781.db2.gz KSSXAULHXYJPKM-RYUDHWBXSA-N 2 0 327.429 -0.747 20 0 EBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001129338540 828600851 /nfs/dbraw/zinc/60/08/51/828600851.db2.gz BLHZYIMUMUHHRC-OAHLLOKOSA-N 2 0 340.468 -0.471 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129363487 828604549 /nfs/dbraw/zinc/60/45/49/828604549.db2.gz HTANBDPFTHGVGN-LBPRGKRZSA-N 2 0 341.456 -0.201 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)NC1CC1 ZINC001129363820 828604786 /nfs/dbraw/zinc/60/47/86/828604786.db2.gz KLEYLXXYUPPUIQ-HNNXBMFYSA-N 2 0 338.452 -0.386 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C)C(=O)NC(=O)NC1CC1 ZINC001129454505 828622799 /nfs/dbraw/zinc/62/27/99/828622799.db2.gz JVNKVRMUSSSWFH-ZWNOBZJWSA-N 2 0 339.440 -0.591 20 0 EBADRP CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433582 828618474 /nfs/dbraw/zinc/61/84/74/828618474.db2.gz HPMDCLOFZJVSAL-ZNMIVQPWSA-N 2 0 336.440 -0.392 20 0 EBADRP CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129433673 828619180 /nfs/dbraw/zinc/61/91/80/828619180.db2.gz LMYDKTVPWHIQQC-KFWWJZLASA-N 2 0 336.440 -0.392 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1)C1CC1 ZINC001129442430 828619935 /nfs/dbraw/zinc/61/99/35/828619935.db2.gz ACRNTQLMWNTDOR-IUODEOHRSA-N 2 0 326.441 -0.815 20 0 EBADRP Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)[C@@H](C3CC3)[NH+](C)C)C2=O)cn1 ZINC001129444608 828620100 /nfs/dbraw/zinc/62/01/00/828620100.db2.gz WHVNQOHFANFXSS-HUUCEWRRSA-N 2 0 348.451 -0.429 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1)C1CC1 ZINC001129444713 828620156 /nfs/dbraw/zinc/62/01/56/828620156.db2.gz XQBLMEXPKQQDGB-GXTWGEPZSA-N 2 0 331.482 -0.143 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C[N@H+](C)C1CCC1)C(=O)Nc1ncccn1 ZINC001129531735 828631153 /nfs/dbraw/zinc/63/11/53/828631153.db2.gz IESDUAWMZBFZHG-GFCCVEGCSA-N 2 0 334.424 -0.006 20 0 EBADRP COCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129685308 828656082 /nfs/dbraw/zinc/65/60/82/828656082.db2.gz QBTJHNIHJMTZOD-ILXRZTDVSA-N 2 0 336.440 -0.250 20 0 EBADRP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@@H]1n1ccnn1 ZINC001129846079 828680623 /nfs/dbraw/zinc/68/06/23/828680623.db2.gz WVUNLUYWRORQNJ-OAGGEKHMSA-N 2 0 348.451 -0.392 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129846490 828680797 /nfs/dbraw/zinc/68/07/97/828680797.db2.gz QRFVIQCDUBAPJD-RYUDHWBXSA-N 2 0 327.429 -0.589 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C)[NH+](C)C ZINC001129949386 828699743 /nfs/dbraw/zinc/69/97/43/828699743.db2.gz BZGPIVJFUKEQLA-ZDUSSCGKSA-N 2 0 336.502 -0.440 20 0 EBADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129983264 828707582 /nfs/dbraw/zinc/70/75/82/828707582.db2.gz UNCKVJWVYNVYIE-KFWWJZLASA-N 2 0 338.456 -0.004 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001129994379 828710405 /nfs/dbraw/zinc/71/04/05/828710405.db2.gz KTFILXQNIXPUPZ-KFWWJZLASA-N 2 0 336.440 -0.392 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130173846 828745396 /nfs/dbraw/zinc/74/53/96/828745396.db2.gz QGPFNXYMAFUCSV-OAHLLOKOSA-N 2 0 343.468 -0.408 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130169567 828743634 /nfs/dbraw/zinc/74/36/34/828743634.db2.gz GBUSUNZKVTYAPH-UHFFFAOYSA-N 2 0 325.413 -0.976 20 0 EBADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130125348 828737216 /nfs/dbraw/zinc/73/72/16/828737216.db2.gz IXFKOPSPLOVIEA-KFWWJZLASA-N 2 0 336.440 -0.250 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)N1CCOCC1 ZINC001130187113 828750195 /nfs/dbraw/zinc/75/01/95/828750195.db2.gz OSDJBYAHMCBZKJ-LSDHHAIUSA-N 2 0 338.452 -0.432 20 0 EBADRP CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001130201152 828754508 /nfs/dbraw/zinc/75/45/08/828754508.db2.gz WKRZIZDHZNEONI-ZIAGYGMSSA-N 2 0 330.473 -0.036 20 0 EBADRP COCCOCC[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130229834 828760277 /nfs/dbraw/zinc/76/02/77/828760277.db2.gz ARWAKHKXOQKIMI-UHFFFAOYSA-N 2 0 331.457 -0.286 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001130229829 828760513 /nfs/dbraw/zinc/76/05/13/828760513.db2.gz ARBKXZFHWLSCTJ-UHFFFAOYSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111864176 825330747 /nfs/dbraw/zinc/33/07/47/825330747.db2.gz DMODNMHGOUFYQH-MKBNYLNASA-N 2 0 339.440 -0.508 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CCO)CC1 ZINC001130298840 828777267 /nfs/dbraw/zinc/77/72/67/828777267.db2.gz INEBKCDUWATXIC-PBHICJAKSA-N 2 0 340.468 -0.594 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)NC(=O)NC1CC1 ZINC001130305566 828777742 /nfs/dbraw/zinc/77/77/42/828777742.db2.gz FIGQBLWZAMSNQP-AAEUAGOBSA-N 2 0 339.440 -0.447 20 0 EBADRP Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)[C@@H]3CCCC[N@@H+]3C)C2=O)cn1 ZINC001130303635 828777864 /nfs/dbraw/zinc/77/78/64/828777864.db2.gz GKLREQSENGFAJT-CABCVRRESA-N 2 0 348.451 -0.285 20 0 EBADRP Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)[C@@H]3CCCC[N@@H+]3C)C2=O)cn1 ZINC001130303636 828778583 /nfs/dbraw/zinc/77/85/83/828778583.db2.gz GKLREQSENGFAJT-GJZGRUSLSA-N 2 0 348.451 -0.285 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001130421793 828827459 /nfs/dbraw/zinc/82/74/59/828827459.db2.gz JLLUSTKQCZLTGB-LBPRGKRZSA-N 2 0 343.472 -0.985 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001130425152 828828744 /nfs/dbraw/zinc/82/87/44/828828744.db2.gz LQXOQISUHNVVFL-ZDUSSCGKSA-N 2 0 348.513 -0.296 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]C[C@@H](O)COCCOC)[C@@H]1C ZINC001179861491 833019181 /nfs/dbraw/zinc/01/91/81/833019181.db2.gz YQDOCTJTKWLMED-XHSDSOJGSA-N 2 0 345.484 -0.069 20 0 EBADRP CCCNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001114290263 826196161 /nfs/dbraw/zinc/19/61/61/826196161.db2.gz FFUWCQNVTXZEKR-AIANPOQGSA-N 2 0 334.464 -0.099 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001114496382 826265821 /nfs/dbraw/zinc/26/58/21/826265821.db2.gz LKKGZDQIQCAHGR-CBZIJGRNSA-N 2 0 348.447 -0.038 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)[C@@H]1C ZINC001179976238 833030235 /nfs/dbraw/zinc/03/02/35/833030235.db2.gz KPPMHGNHCDYFCT-STQMWFEESA-N 2 0 341.456 -0.247 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC001114924027 826373543 /nfs/dbraw/zinc/37/35/43/826373543.db2.gz CYZODYZSWYCBPA-AIANPOQGSA-N 2 0 325.453 -0.228 20 0 EBADRP Cc1nccnc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126092 826428382 /nfs/dbraw/zinc/42/83/82/826428382.db2.gz IFUOEEYAHLFZHI-HALDLXJZSA-N 2 0 333.436 -0.090 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001115126763 826428711 /nfs/dbraw/zinc/42/87/11/826428711.db2.gz ULAUFBYIXVTBRH-FOLVSLTJSA-N 2 0 338.452 -0.863 20 0 EBADRP CCN(C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001115241449 826466667 /nfs/dbraw/zinc/46/66/67/826466667.db2.gz IFUJQZXTAULXHI-UTXMOHQDSA-N 2 0 334.464 -0.005 20 0 EBADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115297267 826500276 /nfs/dbraw/zinc/50/02/76/826500276.db2.gz BOORGLAASMVWGF-QDEZUTFSSA-N 2 0 348.447 -0.286 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCCCCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001180265056 833066124 /nfs/dbraw/zinc/06/61/24/833066124.db2.gz NNXJLGLBKRBQDP-AWEZNQCLSA-N 2 0 348.513 -0.247 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001180260167 833064646 /nfs/dbraw/zinc/06/46/46/833064646.db2.gz VKNXTQKLXJLKET-CYBMUJFWSA-N 2 0 341.456 -0.340 20 0 EBADRP C[NH+](C)CCC(=O)NCC1([NH2+]CCNS(C)(=O)=O)CCCCC1 ZINC001115708063 826573588 /nfs/dbraw/zinc/57/35/88/826573588.db2.gz LRNCQVJEZWWDDW-UHFFFAOYSA-N 2 0 348.513 -0.104 20 0 EBADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)CN2CC[NH+](C(C)C)CC2)O1 ZINC001180351206 833076345 /nfs/dbraw/zinc/07/63/45/833076345.db2.gz SJCPHELUDCOJMX-INMHGKMJSA-N 2 0 342.484 -0.147 20 0 EBADRP COCCN(C)C(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001117140822 826693110 /nfs/dbraw/zinc/69/31/10/826693110.db2.gz MXQKKMKTEWJMCF-UHFFFAOYSA-N 2 0 340.468 -0.234 20 0 EBADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001118148226 826859696 /nfs/dbraw/zinc/85/96/96/826859696.db2.gz SNHWPXRECANZKA-HUUCEWRRSA-N 2 0 343.468 -0.280 20 0 EBADRP C[NH+]1CCN(CCNC(=O)CN(CC[NH3+])Cc2ccccc2)CC1 ZINC001118286996 826898134 /nfs/dbraw/zinc/89/81/34/826898134.db2.gz NWHQRDCISODLIE-UHFFFAOYSA-N 2 0 333.480 -0.189 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[C@H]1[NH3+] ZINC001118491462 826941827 /nfs/dbraw/zinc/94/18/27/826941827.db2.gz WFCRUSIYWFNEAO-VHDGCEQUSA-N 2 0 338.452 -0.448 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)C1CC1 ZINC001119354726 827100678 /nfs/dbraw/zinc/10/06/78/827100678.db2.gz LRFLBLKAZAKKLA-GXSJLCMTSA-N 2 0 336.358 -0.208 20 0 EBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC001119427231 827107815 /nfs/dbraw/zinc/10/78/15/827107815.db2.gz JCUMKMNVDGIENI-SOUVJXGZSA-N 2 0 338.452 -0.589 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1)C[NH+](C)C ZINC001119846208 827152106 /nfs/dbraw/zinc/15/21/06/827152106.db2.gz NOERBDDRGBOBDJ-KBPBESRZSA-N 2 0 328.457 -0.521 20 0 EBADRP CCN1CCO[C@H](C(=O)NCC2([NH2+]CC(=O)NC)CCCCC2)C1 ZINC001120170979 827178154 /nfs/dbraw/zinc/17/81/54/827178154.db2.gz ZCYFRUZYPMXOPP-AWEZNQCLSA-N 2 0 340.468 -0.138 20 0 EBADRP CN(C(=O)C(=O)NCCC1CC[NH+](C)CC1)C1(C[NH3+])CCOCC1 ZINC001120420120 827215677 /nfs/dbraw/zinc/21/56/77/827215677.db2.gz HAECMMXHSOZRJL-UHFFFAOYSA-N 2 0 340.468 -0.199 20 0 EBADRP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)N1CC[NH+](C)CC1 ZINC001120515047 827237366 /nfs/dbraw/zinc/23/73/66/827237366.db2.gz NUZYRONIYUXOKU-KKUMJFAQSA-N 2 0 339.484 -0.772 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC001181652198 833170791 /nfs/dbraw/zinc/17/07/91/833170791.db2.gz KGHDGQDEBXHNLK-MNOVXSKESA-N 2 0 336.358 -0.050 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NCCCC[NH+]1CCOCC1 ZINC001121991468 827496847 /nfs/dbraw/zinc/49/68/47/827496847.db2.gz RJVNQVMHMQLHGU-HNNXBMFYSA-N 2 0 328.457 -0.295 20 0 EBADRP CC[NH+]1CCN(CCCNC(=O)CCNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC001122009435 827501842 /nfs/dbraw/zinc/50/18/42/827501842.db2.gz PBWDLLTZZQIUET-INIZCTEOSA-N 2 0 341.500 -0.380 20 0 EBADRP C[C@@H]([NH2+]C1CC2(CC(NC(=O)COCC[NH+](C)C)C2)C1)C(N)=O ZINC001122064028 827513530 /nfs/dbraw/zinc/51/35/30/827513530.db2.gz UJCNHZADCZCZAR-MPXNVAGNSA-N 2 0 326.441 -0.545 20 0 EBADRP C[NH+](C)CCOCC(=O)NC1CC2(C1)CC([NH2+][C@H]1CCNC1=O)C2 ZINC001122063808 827513583 /nfs/dbraw/zinc/51/35/83/827513583.db2.gz OLFFCNAMXDNVQQ-XJIRZWNVSA-N 2 0 338.452 -0.530 20 0 EBADRP C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001182190682 833213444 /nfs/dbraw/zinc/21/34/44/833213444.db2.gz ITERJSPLGGJPAH-YPMHNXCESA-N 2 0 335.408 -0.373 20 0 EBADRP CC[NH2+][C@H](C)C(=O)N1CCNCCN(C(=O)[C@H](C)[NH2+]CC)CC1 ZINC001122265304 827562118 /nfs/dbraw/zinc/56/21/18/827562118.db2.gz KFFRUSUGYHGRAL-OKILXGFUSA-N 2 0 327.473 -0.757 20 0 EBADRP CC[NH2+][C@@H](C)C(=O)N1CCNCCN(C(=O)[C@H](C)[NH2+]CC)CC1 ZINC001122265303 827562145 /nfs/dbraw/zinc/56/21/45/827562145.db2.gz KFFRUSUGYHGRAL-KBPBESRZSA-N 2 0 327.473 -0.757 20 0 EBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC001123548903 827715008 /nfs/dbraw/zinc/71/50/08/827715008.db2.gz CXJXYVIWFJVRGN-QLFBSQMISA-N 2 0 337.468 -0.922 20 0 EBADRP O=C(NCCC[NH+]1CCCC1)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001123574784 827717221 /nfs/dbraw/zinc/71/72/21/827717221.db2.gz MAWJLNOTBJFFIR-DOTOQJQBSA-N 2 0 340.468 -0.003 20 0 EBADRP C[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)N1CC[NH+](C)CC1 ZINC001123885319 827735147 /nfs/dbraw/zinc/73/51/47/827735147.db2.gz FEVLGVBKPLLLDB-MRXNPFEDSA-N 3 0 342.532 -0.243 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182676105 833251731 /nfs/dbraw/zinc/25/17/31/833251731.db2.gz ADVGKUFCQOIKHT-JHJVBQTASA-N 2 0 339.440 -0.637 20 0 EBADRP CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124866562 827969386 /nfs/dbraw/zinc/96/93/86/827969386.db2.gz FVAFYUHQDNMBFY-QWHCGFSZSA-N 2 0 341.456 -0.343 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001183391317 833289148 /nfs/dbraw/zinc/28/91/48/833289148.db2.gz OAIDWEBEQMNLJD-OLZOCXBDSA-N 2 0 339.440 -0.493 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCCNS(=O)(=O)CC)C1)[NH+](C)C ZINC001183581157 833295691 /nfs/dbraw/zinc/29/56/91/833295691.db2.gz FTQVMFSERUSZCK-ZIAGYGMSSA-N 2 0 348.513 -0.154 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001183581868 833296137 /nfs/dbraw/zinc/29/61/37/833296137.db2.gz NMXBOGDLGCRFMM-VXGBXAGGSA-N 2 0 327.429 -0.637 20 0 EBADRP CN(CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)c1cc[nH+]cc1 ZINC001183818320 833307418 /nfs/dbraw/zinc/30/74/18/833307418.db2.gz XONHKWFQZAQMPO-GFCCVEGCSA-N 2 0 348.407 -0.707 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001183738641 833304927 /nfs/dbraw/zinc/30/49/27/833304927.db2.gz MUCKTYCLASRKCN-GHMZBOCLSA-N 2 0 327.429 -0.509 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001183738647 833305162 /nfs/dbraw/zinc/30/51/62/833305162.db2.gz MUCKTYCLASRKCN-WDEREUQCSA-N 2 0 327.429 -0.509 20 0 EBADRP CN(CCC(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1)c1cc[nH+]cc1 ZINC001183818102 833307280 /nfs/dbraw/zinc/30/72/80/833307280.db2.gz WKBMYTVTBUOHDC-HIFRSBDPSA-N 2 0 331.420 -0.013 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001127081779 828248640 /nfs/dbraw/zinc/24/86/40/828248640.db2.gz BIWRMSOBIIMYHA-HUUCEWRRSA-N 2 0 340.468 -0.282 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127254575 828268900 /nfs/dbraw/zinc/26/89/00/828268900.db2.gz GBJBIQSRJGXIDH-CHWSQXEVSA-N 2 0 332.470 -0.884 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[NH+]3CCC2CC3)on1 ZINC001127474168 828296586 /nfs/dbraw/zinc/29/65/86/828296586.db2.gz HZXNOGUSLFEYIJ-ZDUSSCGKSA-N 2 0 335.408 -0.031 20 0 EBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC[NH2+][C@H]2CCNC2=O)CC1 ZINC001127570944 828303697 /nfs/dbraw/zinc/30/36/97/828303697.db2.gz GTEJYAKICRZVPD-ILXRZTDVSA-N 2 0 338.452 -0.672 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NCC[NH2+]CCCS(C)(=O)=O)n1 ZINC001127563322 828303960 /nfs/dbraw/zinc/30/39/60/828303960.db2.gz WFOPBTKJQGKFIW-UHFFFAOYSA-N 2 0 345.469 -0.801 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+][C@@H]2CCN(c3ccn(C)n3)C2=O)CC[N@@H+]1C ZINC001127644083 828309634 /nfs/dbraw/zinc/30/96/34/828309634.db2.gz UFNFNPIQDWJCPU-MGPQQGTHSA-N 2 0 348.451 -0.429 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+][C@H]2CCN(c3ccn(C)n3)C2=O)CC[N@@H+]1C ZINC001127644082 828310080 /nfs/dbraw/zinc/31/00/80/828310080.db2.gz UFNFNPIQDWJCPU-MCIONIFRSA-N 2 0 348.451 -0.429 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127638770 828310209 /nfs/dbraw/zinc/31/02/09/828310209.db2.gz PMAFAGAKWWKIAT-CHWSQXEVSA-N 2 0 334.486 -0.638 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NCCCOC)CC[N@@H+]1C ZINC001127705796 828316093 /nfs/dbraw/zinc/31/60/93/828316093.db2.gz GLRZBILYRNTNNL-QLFBSQMISA-N 2 0 342.484 -0.036 20 0 EBADRP CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC1 ZINC001127760202 828320175 /nfs/dbraw/zinc/32/01/75/828320175.db2.gz GIMNJRPFMFPEQJ-GJZGRUSLSA-N 2 0 338.452 -0.434 20 0 EBADRP CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779271 828326755 /nfs/dbraw/zinc/32/67/55/828326755.db2.gz KKMWJZYIBJNJIS-HUUCEWRRSA-N 2 0 338.452 -0.576 20 0 EBADRP Cc1noc(CCC[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001127779554 828328174 /nfs/dbraw/zinc/32/81/74/828328174.db2.gz NUOQTIYJDSGICD-ZIAGYGMSSA-N 2 0 337.424 -0.120 20 0 EBADRP NC(=O)c1cccc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC001127779712 828328519 /nfs/dbraw/zinc/32/85/19/828328519.db2.gz QWZNVESTXBCSAI-CVEARBPZSA-N 2 0 346.431 -0.146 20 0 EBADRP CCC(C)(C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779243 828329147 /nfs/dbraw/zinc/32/91/47/828329147.db2.gz JXTVFYBMPDKGPE-KBPBESRZSA-N 2 0 340.468 -0.140 20 0 EBADRP Cc1nnsc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127785196 828329343 /nfs/dbraw/zinc/32/93/43/828329343.db2.gz GLEYTAKMNUVPIQ-RYUDHWBXSA-N 2 0 325.438 -0.084 20 0 EBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127786230 828331732 /nfs/dbraw/zinc/33/17/32/828331732.db2.gz WTEKPPRTXIEMIU-ZIAGYGMSSA-N 2 0 326.441 -0.672 20 0 EBADRP Cc1c(C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)ccc2c[nH+]cn21 ZINC001130656017 828907148 /nfs/dbraw/zinc/90/71/48/828907148.db2.gz FIAPXLHLSIKKJR-ZDUSSCGKSA-N 2 0 329.360 -0.233 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001130709178 828919903 /nfs/dbraw/zinc/91/99/03/828919903.db2.gz WJGDORAWSNMMTM-OLZOCXBDSA-N 2 0 341.456 -0.343 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(N)=O)C1 ZINC001130737239 828924825 /nfs/dbraw/zinc/92/48/25/828924825.db2.gz ZESVGWZRRJIQAN-GXTWGEPZSA-N 2 0 336.440 -0.870 20 0 EBADRP CN(CC[NH2+]CCNC(=O)C12CCC[NH+]1CCC2)S(C)(=O)=O ZINC001130808448 828944313 /nfs/dbraw/zinc/94/43/13/828944313.db2.gz BRKYTZMFJVNOLL-UHFFFAOYSA-N 2 0 332.470 -0.788 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130805720 828944502 /nfs/dbraw/zinc/94/45/02/828944502.db2.gz JVBXVBXYJPYYCI-UHFFFAOYSA-N 2 0 339.440 -0.444 20 0 EBADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001184962449 833344240 /nfs/dbraw/zinc/34/42/40/833344240.db2.gz XFHLRVCSGIJLKW-PMPSAXMXSA-N 2 0 343.468 -0.315 20 0 EBADRP C[C@@H](C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)CS(C)(=O)=O ZINC001184877986 833342340 /nfs/dbraw/zinc/34/23/40/833342340.db2.gz XIKBGDCEUOXWEP-BFHYXJOUSA-N 2 0 331.482 -0.048 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001185083695 833346246 /nfs/dbraw/zinc/34/62/46/833346246.db2.gz HTFBXMJWIGGIQZ-STQMWFEESA-N 2 0 341.456 -0.532 20 0 EBADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185230439 833350665 /nfs/dbraw/zinc/35/06/65/833350665.db2.gz SICIAOOQCQFKCV-CABCVRRESA-N 2 0 343.468 -0.457 20 0 EBADRP COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185265151 833353075 /nfs/dbraw/zinc/35/30/75/833353075.db2.gz MHRFUJYCJXRINJ-HUUCEWRRSA-N 2 0 331.457 -0.457 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001185264860 833353095 /nfs/dbraw/zinc/35/30/95/833353095.db2.gz IMSSKBVMJJWRKI-UONOGXRCSA-N 2 0 331.482 -0.047 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001185651130 833364841 /nfs/dbraw/zinc/36/48/41/833364841.db2.gz SXEVCJQMGYREMU-ZIAGYGMSSA-N 2 0 346.497 -0.400 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519648 829150368 /nfs/dbraw/zinc/15/03/68/829150368.db2.gz ILEDYQHGTQDQDD-XOYHFGRZSA-N 2 0 338.452 -0.578 20 0 EBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519660 829150702 /nfs/dbraw/zinc/15/07/02/829150702.db2.gz ISBSOEQHFGWDEG-XOYHFGRZSA-N 2 0 338.452 -0.576 20 0 EBADRP Cn1cc(CC[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)cn1 ZINC001131519607 829150992 /nfs/dbraw/zinc/15/09/92/829150992.db2.gz HLEKKAXPJFYSRE-ISXOHVOVSA-N 2 0 333.436 -0.468 20 0 EBADRP CCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519408 829151116 /nfs/dbraw/zinc/15/11/16/829151116.db2.gz DBQDWMLGUFOMSE-UUCFBXCCSA-N 2 0 338.452 -0.528 20 0 EBADRP C[N@H+](CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)CC(C)(C)C ZINC001185724245 833368430 /nfs/dbraw/zinc/36/84/30/833368430.db2.gz WERWTWKTDBPGBR-CHWSQXEVSA-N 2 0 338.452 -0.040 20 0 EBADRP CCCC[C@@H]([NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C(N)=O ZINC001131522234 829154887 /nfs/dbraw/zinc/15/48/87/829154887.db2.gz YKCPUNQKFWXOHL-DLOXAQCQSA-N 2 0 338.452 -0.401 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@]2(CC[N@H+](CCOCCO)C2)O1 ZINC001131682358 829184899 /nfs/dbraw/zinc/18/48/99/829184899.db2.gz NOCTWYLVYKFBGT-NVXWUHKLSA-N 2 0 343.468 -0.361 20 0 EBADRP C[NH+](C)CCc1ccccc1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001131799088 829224265 /nfs/dbraw/zinc/22/42/65/829224265.db2.gz HHZAHSLNNKMIGG-UHFFFAOYSA-N 2 0 335.408 -0.695 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001186082526 833388113 /nfs/dbraw/zinc/38/81/13/833388113.db2.gz KDLRKWUJQWUDJY-CHWSQXEVSA-N 2 0 339.440 -0.365 20 0 EBADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001186235296 833393119 /nfs/dbraw/zinc/39/31/19/833393119.db2.gz SQDAQFLVZPSABU-HUUCEWRRSA-N 2 0 339.440 -0.744 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001186459392 833402459 /nfs/dbraw/zinc/40/24/59/833402459.db2.gz VGHNPXAZKKBTQY-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H]([NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC12CCOCC2)C(N)=O ZINC001186473025 833402874 /nfs/dbraw/zinc/40/28/74/833402874.db2.gz NKKMZQXOVZWOPZ-KBPBESRZSA-N 2 0 340.468 -0.343 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CCN1C(=O)CNC1=O ZINC001132279592 829406063 /nfs/dbraw/zinc/40/60/63/829406063.db2.gz ZQJGYUQAGIYYKE-OLZOCXBDSA-N 2 0 339.440 -0.541 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2)[NH+](C)C ZINC001186502748 833403933 /nfs/dbraw/zinc/40/39/33/833403933.db2.gz BUSSJKTUPYKPGV-KGLIPLIRSA-N 2 0 340.468 -0.343 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186544756 833405300 /nfs/dbraw/zinc/40/53/00/833405300.db2.gz GXWMUJONCBOVBD-CQSZACIVSA-N 2 0 340.468 -0.342 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H](C[NH2+]CC(N)=O)C3(C2)CCOCC3)C1 ZINC001186552698 833405682 /nfs/dbraw/zinc/40/56/82/833405682.db2.gz KGSRQBLWBGXWFL-KGLIPLIRSA-N 2 0 338.452 -0.732 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186560651 833406072 /nfs/dbraw/zinc/40/60/72/833406072.db2.gz CESNLBDICNFOEZ-CQSZACIVSA-N 2 0 340.468 -0.343 20 0 EBADRP C[C@H]1CC[C@@H](NC(=O)COCC[NH+](C)C)C[N@@H+]1CCOCCO ZINC001132425507 829454404 /nfs/dbraw/zinc/45/44/04/829454404.db2.gz ILPRODFLFFQAMU-LSDHHAIUSA-N 2 0 331.457 -0.457 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+]CCNS(=O)(=O)CC)C1 ZINC001132738474 829512177 /nfs/dbraw/zinc/51/21/77/829512177.db2.gz FERWCFUMPSMODP-CQSZACIVSA-N 2 0 348.513 -0.247 20 0 EBADRP CCCC[C@@H]([NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C(N)=O ZINC001132848926 829534125 /nfs/dbraw/zinc/53/41/25/829534125.db2.gz WNELKSOCAIURIT-KGLIPLIRSA-N 2 0 328.457 -0.155 20 0 EBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132859013 829538831 /nfs/dbraw/zinc/53/88/31/829538831.db2.gz SJADUYNMSRQBMM-AWEZNQCLSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC001132995055 829568446 /nfs/dbraw/zinc/56/84/46/829568446.db2.gz KFRQPSSBYGBBHE-CABCVRRESA-N 2 0 343.468 -0.410 20 0 EBADRP Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)C3(C[NH+](C)C)CC3)C2=O)cn1 ZINC001132995106 829568461 /nfs/dbraw/zinc/56/84/61/829568461.db2.gz MBYWXCOCHMSZJR-AWEZNQCLSA-N 2 0 348.451 -0.427 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CC1)C(=O)NC[C@@H]1CCCO1 ZINC001132995535 829568763 /nfs/dbraw/zinc/56/87/63/829568763.db2.gz XABLSFIZVGLALY-KBPBESRZSA-N 2 0 340.468 -0.282 20 0 EBADRP CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133051705 829578479 /nfs/dbraw/zinc/57/84/79/829578479.db2.gz LTOABZATJPVQSZ-UHFFFAOYSA-N 2 0 330.473 -0.035 20 0 EBADRP C[NH+](C)CCCC(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001133051827 829578656 /nfs/dbraw/zinc/57/86/56/829578656.db2.gz QMZUHYLLFBOEEH-UHFFFAOYSA-N 2 0 327.429 -0.636 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001133245758 829610083 /nfs/dbraw/zinc/61/00/83/829610083.db2.gz KKHGXNVDDQLLSA-KBPBESRZSA-N 2 0 328.457 -0.615 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133285972 829614622 /nfs/dbraw/zinc/61/46/22/829614622.db2.gz QNMZXEGOYJQOPB-LLVKDONJSA-N 2 0 327.429 -0.732 20 0 EBADRP C[NH+]1CCC(C(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F)CC1 ZINC001133287268 829616266 /nfs/dbraw/zinc/61/62/66/829616266.db2.gz DYXNSVCXGOMBNN-LBPRGKRZSA-N 2 0 341.374 -0.026 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)N1CC(=O)Nc2ccccc21 ZINC001133294343 829617861 /nfs/dbraw/zinc/61/78/61/829617861.db2.gz DQLFMQURZUUVPZ-UHFFFAOYSA-N 2 0 347.419 -0.371 20 0 EBADRP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133310187 829619652 /nfs/dbraw/zinc/61/96/52/829619652.db2.gz LNLJVRHTZXZTON-OLZOCXBDSA-N 2 0 339.440 -0.649 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001186825077 833431763 /nfs/dbraw/zinc/43/17/63/833431763.db2.gz YCQCSSYZNIHFMM-CYBMUJFWSA-N 2 0 339.440 -0.493 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133434415 829631100 /nfs/dbraw/zinc/63/11/00/829631100.db2.gz PUYDTNNTNICZJB-UONOGXRCSA-N 2 0 330.473 -0.180 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001133684587 829661062 /nfs/dbraw/zinc/66/10/62/829661062.db2.gz KEJGUFLDNAVZJL-GFCCVEGCSA-N 2 0 329.445 -0.342 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O)[NH+](CC)CC ZINC001133685557 829662133 /nfs/dbraw/zinc/66/21/33/829662133.db2.gz VYNSAVDJPATVJM-LSDHHAIUSA-N 2 0 342.484 -0.204 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133823856 829680287 /nfs/dbraw/zinc/68/02/87/829680287.db2.gz QZSMKNQCMSYEGR-CYBMUJFWSA-N 2 0 341.456 -0.342 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001133831905 829680623 /nfs/dbraw/zinc/68/06/23/829680623.db2.gz WMJJEXNIFHVXAL-CYBMUJFWSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001133845664 829684386 /nfs/dbraw/zinc/68/43/86/829684386.db2.gz LFUNTQQKFMVMTI-CYBMUJFWSA-N 2 0 331.482 -0.141 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001133850364 829686698 /nfs/dbraw/zinc/68/66/98/829686698.db2.gz LMAWWNOWQLSJNY-LBPRGKRZSA-N 2 0 339.440 -0.636 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+][C@H]2CCN(c3ccn(C)n3)C2=O)C1 ZINC001133851125 829686751 /nfs/dbraw/zinc/68/67/51/829686751.db2.gz XHPNIWXQZUPQDA-KGLIPLIRSA-N 2 0 348.451 -0.427 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001133867459 829689174 /nfs/dbraw/zinc/68/91/74/829689174.db2.gz VCFZKLRVMSGRJL-VXGBXAGGSA-N 2 0 339.440 -0.780 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)NCc1cccnc1 ZINC001133866910 829689253 /nfs/dbraw/zinc/68/92/53/829689253.db2.gz PUDGSBFKZZWSOI-HIFRSBDPSA-N 2 0 333.436 -0.399 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133869126 829690632 /nfs/dbraw/zinc/69/06/32/829690632.db2.gz BIDPNCPPBUNWAF-NWDGAFQWSA-N 2 0 327.429 -0.874 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)s1 ZINC001133870678 829690779 /nfs/dbraw/zinc/69/07/79/829690779.db2.gz VGKKJEIRHSMJRH-KOLCDFICSA-N 2 0 340.453 -0.311 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCCNC(=O)C(F)(F)F ZINC001133869933 829691098 /nfs/dbraw/zinc/69/10/98/829691098.db2.gz OBDNJUUKUWQUJV-MNOVXSKESA-N 2 0 338.374 -0.042 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC1CCS(=O)(=O)CC1 ZINC001133869741 829691555 /nfs/dbraw/zinc/69/15/55/829691555.db2.gz KGWWZCPBGHKQCW-TZMCWYRMSA-N 2 0 331.482 -0.285 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133906452 829697503 /nfs/dbraw/zinc/69/75/03/829697503.db2.gz WLMOABSOJHUPPN-UHFFFAOYSA-N 2 0 330.473 -0.177 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NCC(C)C)[NH+](C)C ZINC001133968117 829708129 /nfs/dbraw/zinc/70/81/29/829708129.db2.gz OGSFFZKWOOIAOU-STQMWFEESA-N 2 0 343.472 -0.097 20 0 EBADRP C[C@H](COCC(=O)NCC[NH2+]CCN1CCNC1=O)[NH+]1CCCC1 ZINC001134021024 829713071 /nfs/dbraw/zinc/71/30/71/829713071.db2.gz ODLOJCAZGBNLNZ-CQSZACIVSA-N 2 0 341.456 -0.782 20 0 EBADRP C[C@@H](COCC(=O)NCC[NH2+][C@H]1CCCN(C)C1=O)[NH+]1CCCC1 ZINC001134021115 829713594 /nfs/dbraw/zinc/71/35/94/829713594.db2.gz RNWGXRDRGNUMGQ-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CCN1CC[C@H]([NH2+]CCNC(=O)COC[C@H](C)[NH+]2CCCC2)C1=O ZINC001134021229 829714055 /nfs/dbraw/zinc/71/40/55/829714055.db2.gz VNTZHQOBQIATIC-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H](COCC(=O)NCC[NH2+]CC(=O)NC1CC1)[NH+]1CCCC1 ZINC001134058343 829719916 /nfs/dbraw/zinc/71/99/16/829719916.db2.gz JWBKMEBTEHNMFS-ZDUSSCGKSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583678 829797170 /nfs/dbraw/zinc/79/71/70/829797170.db2.gz NDMQXTXJRHTOCC-QWRGUYRKSA-N 2 0 327.429 -0.462 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780767 829845143 /nfs/dbraw/zinc/84/51/43/829845143.db2.gz VSAXMJTZKSCZNJ-OAHLLOKOSA-N 2 0 331.457 -0.552 20 0 EBADRP C[NH+]1CCC(CC(=O)NCC[NH2+]CC(=O)Nc2cnccn2)CC1 ZINC001134780405 829845385 /nfs/dbraw/zinc/84/53/85/829845385.db2.gz FLAXGPNEPQLERG-UHFFFAOYSA-N 2 0 334.424 -0.147 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135093353 829897320 /nfs/dbraw/zinc/89/73/20/829897320.db2.gz LQFLFLPBJAESLY-LSDHHAIUSA-N 2 0 340.468 -0.138 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135095641 829898441 /nfs/dbraw/zinc/89/84/41/829898441.db2.gz MLYRKDLRFKQVSR-VXGBXAGGSA-N 2 0 325.413 -0.835 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)cn1 ZINC001135118230 829900490 /nfs/dbraw/zinc/90/04/90/829900490.db2.gz JPSHQOUTFPHAMC-HNNXBMFYSA-N 2 0 349.439 -0.978 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001135389601 829960219 /nfs/dbraw/zinc/96/02/19/829960219.db2.gz BCUGBTOJUWJQFP-NEPJUHHUSA-N 2 0 338.456 -0.177 20 0 EBADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O)C(C)C ZINC001135478023 829974094 /nfs/dbraw/zinc/97/40/94/829974094.db2.gz TWVFIFLVRSVUEK-OCCSQVGLSA-N 2 0 326.441 -0.136 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C ZINC001135513356 829979508 /nfs/dbraw/zinc/97/95/08/829979508.db2.gz MSKWMJSMESKTBI-LBPRGKRZSA-N 2 0 329.445 -0.343 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CCCS(=O)(=O)CCOC ZINC001135513703 829979965 /nfs/dbraw/zinc/97/99/65/829979965.db2.gz VHQHJRIBHZVPAW-UHFFFAOYSA-N 2 0 337.486 -0.515 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]Cc1cnnn1C)NC(=O)COCC[NH+](C)C ZINC001135922728 830046351 /nfs/dbraw/zinc/04/63/51/830046351.db2.gz AGPGGEVHWJYSNJ-STQMWFEESA-N 2 0 326.445 -0.234 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]Cc1cnn(C)n1)NC(=O)COCC[NH+](C)C ZINC001135924067 830047707 /nfs/dbraw/zinc/04/77/07/830047707.db2.gz POXOLABMQTUHLZ-QWHCGFSZSA-N 2 0 326.445 -0.234 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]Cc1cnn(C)n1)NC(=O)COCC[NH+](C)C ZINC001135924068 830048099 /nfs/dbraw/zinc/04/80/99/830048099.db2.gz POXOLABMQTUHLZ-STQMWFEESA-N 2 0 326.445 -0.234 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001135939196 830048560 /nfs/dbraw/zinc/04/85/60/830048560.db2.gz VZBPSHBQKXWYPP-QWRGUYRKSA-N 2 0 325.413 -0.850 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135959028 830052104 /nfs/dbraw/zinc/05/21/04/830052104.db2.gz JKIGIAVOWYIEIO-UHFFFAOYSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001135960108 830052181 /nfs/dbraw/zinc/05/21/81/830052181.db2.gz YUNXKNJNVGYWEO-CYBMUJFWSA-N 2 0 347.481 -0.762 20 0 EBADRP CC(C)COC[C@@H](O)C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135963531 830053028 /nfs/dbraw/zinc/05/30/28/830053028.db2.gz RRWVXGIBAGROOK-HNNXBMFYSA-N 2 0 345.484 -0.164 20 0 EBADRP CCN(C(=O)C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001135963394 830053676 /nfs/dbraw/zinc/05/36/76/830053676.db2.gz JHTORSYEWBTNLZ-UHFFFAOYSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001211279317 837421071 /nfs/dbraw/zinc/42/10/71/837421071.db2.gz WTFJXNOULSXTKP-CQSZACIVSA-N 2 0 348.513 -0.201 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146341544 830193330 /nfs/dbraw/zinc/19/33/30/830193330.db2.gz ZDWZHFRLCRQOKU-STQMWFEESA-N 2 0 341.456 -0.199 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)CC1 ZINC001146376709 830194926 /nfs/dbraw/zinc/19/49/26/830194926.db2.gz MLUVVFZFBBPTIG-UHFFFAOYSA-N 2 0 338.452 -0.038 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001146601109 830212760 /nfs/dbraw/zinc/21/27/60/830212760.db2.gz JYDKFDIZCKYYHK-STQMWFEESA-N 2 0 341.456 -0.249 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001146709775 830221519 /nfs/dbraw/zinc/22/15/19/830221519.db2.gz DIHCRTZEEATTTA-GJZGRUSLSA-N 2 0 331.457 -0.410 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001146704502 830221983 /nfs/dbraw/zinc/22/19/83/830221983.db2.gz CBUQREZIQFXYRH-ZDUSSCGKSA-N 2 0 334.486 -0.685 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001146711514 830223099 /nfs/dbraw/zinc/22/30/99/830223099.db2.gz ULFSMAMALMZXDL-NSHDSACASA-N 2 0 327.429 -0.589 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC001146747853 830225162 /nfs/dbraw/zinc/22/51/62/830225162.db2.gz YLXCOPMYACONTJ-UHFFFAOYSA-N 2 0 341.456 -0.246 20 0 EBADRP CC[N@H+](C)[C@@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)c1ccccc1 ZINC001147461423 830347316 /nfs/dbraw/zinc/34/73/16/830347316.db2.gz XEPKIRPSGFLNMF-CQSZACIVSA-N 2 0 335.408 -0.420 20 0 EBADRP CC[C@H](C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C2)[NH+](C)C ZINC001147774520 830410175 /nfs/dbraw/zinc/41/01/75/830410175.db2.gz XHRGWCGZWDNOFV-NWDGAFQWSA-N 2 0 339.440 -0.556 20 0 EBADRP C[C@H]1CCCN(C(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C)C1 ZINC001147842124 830419020 /nfs/dbraw/zinc/41/90/20/830419020.db2.gz OBUKTDDYKVCAEO-AWEZNQCLSA-N 2 0 328.457 -0.471 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001147884530 830425149 /nfs/dbraw/zinc/42/51/49/830425149.db2.gz DTFGIQNFRTZKNJ-AWEZNQCLSA-N 2 0 331.482 -0.141 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001147885971 830426059 /nfs/dbraw/zinc/42/60/59/830426059.db2.gz QRANKUDOSPVAKO-ZIAGYGMSSA-N 2 0 346.497 -0.685 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001147886585 830426559 /nfs/dbraw/zinc/42/65/59/830426559.db2.gz XZYHOJYDLZIDAO-KBPBESRZSA-N 2 0 331.482 -0.141 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C(=O)NCc1ccco1 ZINC001147893809 830427182 /nfs/dbraw/zinc/42/71/82/830427182.db2.gz UHTLUJGPNQCKMW-ZDUSSCGKSA-N 2 0 340.424 -0.432 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)NC(=O)NC1CC1 ZINC001147900626 830428470 /nfs/dbraw/zinc/42/84/70/830428470.db2.gz SWJOHNRIZWXKKR-NEPJUHHUSA-N 2 0 339.440 -0.589 20 0 EBADRP O=C(NCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1)C12CC[NH+](CC1)C2 ZINC001147977909 830434101 /nfs/dbraw/zinc/43/41/01/830434101.db2.gz ZQMCUQFETXVWMK-CYBMUJFWSA-N 2 0 329.466 -0.387 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C12CC[NH+](CC1)C2)C(=O)Nc1ncccn1 ZINC001147976801 830434246 /nfs/dbraw/zinc/43/42/46/830434246.db2.gz ALPVNVONQVOTBA-LBPRGKRZSA-N 2 0 332.408 -0.395 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C12CC[NH+](CC1)C2)C(=O)NC(=O)NC1CC1 ZINC001148000690 830437011 /nfs/dbraw/zinc/43/70/11/830437011.db2.gz UXDMDFVBONYEFX-LLVKDONJSA-N 2 0 337.424 -0.835 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001148205825 830456468 /nfs/dbraw/zinc/45/64/68/830456468.db2.gz PZEQXLALUOCQNA-OAHLLOKOSA-N 2 0 325.453 -0.130 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001148292752 830467106 /nfs/dbraw/zinc/46/71/06/830467106.db2.gz SDFAVDLFZYYOST-CABCVRRESA-N 2 0 325.453 -0.130 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)CCCC[NH+](C)C)C(=O)NC(=O)NC1CC1 ZINC001148365079 830475388 /nfs/dbraw/zinc/47/53/88/830475388.db2.gz GEQILWGZDUXULD-GFCCVEGCSA-N 2 0 341.456 -0.199 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148605343 830515871 /nfs/dbraw/zinc/51/58/71/830515871.db2.gz ONMBYKMIAABSKI-CQSZACIVSA-N 2 0 329.441 -0.894 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149848042 830762217 /nfs/dbraw/zinc/76/22/17/830762217.db2.gz IHVVHPCJFCQIHN-GJZGRUSLSA-N 2 0 343.468 -0.315 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149855233 830765492 /nfs/dbraw/zinc/76/54/92/830765492.db2.gz WSIKYHSUOAERFS-HZPDHXFCSA-N 2 0 343.468 -0.315 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001150092291 830817799 /nfs/dbraw/zinc/81/77/99/830817799.db2.gz RRRHBGGEFGXJNP-RBSFLKMASA-N 2 0 329.441 -0.705 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@H]1C[N@H+](CCOCCO)CCCO1 ZINC001150192138 830833315 /nfs/dbraw/zinc/83/33/15/830833315.db2.gz BAVGTHUUKJTIFK-HNNXBMFYSA-N 2 0 331.457 -0.456 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CCOCCO)CCCO1 ZINC001150318602 830861366 /nfs/dbraw/zinc/86/13/66/830861366.db2.gz SFIKYGNBCXGECO-HZPDHXFCSA-N 2 0 343.468 -0.313 20 0 EBADRP C[NH+](C)CCOCC(=O)NC[C@@H]1C[N@H+](C[C@@H]2CCOC2)CCCO1 ZINC001150588616 830940089 /nfs/dbraw/zinc/94/00/89/830940089.db2.gz PTPQKHBKOUWODN-JKSUJKDBSA-N 2 0 343.468 -0.192 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150714270 830968357 /nfs/dbraw/zinc/96/83/57/830968357.db2.gz CFLKYGZAIFLITC-CABCVRRESA-N 2 0 329.441 -0.703 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@H+](CCCO)CCCO1 ZINC001150725003 830971754 /nfs/dbraw/zinc/97/17/54/830971754.db2.gz SUDZLVDLVQMBKQ-CVEARBPZSA-N 2 0 343.468 -0.456 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@H+](CCO)CCCO1 ZINC001150724989 830972202 /nfs/dbraw/zinc/97/22/02/830972202.db2.gz SJDUOTAMVBSSSA-CABCVRRESA-N 2 0 329.441 -0.846 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CCN2C(=O)c3ccccc3C2=O)C1 ZINC001151056405 831016126 /nfs/dbraw/zinc/01/61/26/831016126.db2.gz MRDPQIFPKMDUSX-CYBMUJFWSA-N 2 0 344.415 -0.060 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)s1 ZINC001151049839 831017115 /nfs/dbraw/zinc/01/71/15/831017115.db2.gz ZWLNVYQKMPCPBK-SNVBAGLBSA-N 2 0 326.426 -0.557 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC001151064394 831017712 /nfs/dbraw/zinc/01/77/12/831017712.db2.gz BFJWGJJMPWMGOM-MNOVXSKESA-N 2 0 336.358 -0.193 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC001151064395 831018869 /nfs/dbraw/zinc/01/88/69/831018869.db2.gz BFJWGJJMPWMGOM-QWRGUYRKSA-N 2 0 336.358 -0.193 20 0 EBADRP Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)[C@H]3CC[N@H+](C)C3)C2=O)cn1 ZINC001151064727 831020570 /nfs/dbraw/zinc/02/05/70/831020570.db2.gz DRSBJAGAZPKPPQ-GXTWGEPZSA-N 2 0 334.424 -0.817 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001151064931 831020958 /nfs/dbraw/zinc/02/09/58/831020958.db2.gz FZIFOOPWBQOKAW-ZIAGYGMSSA-N 2 0 329.441 -0.800 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001151064927 831021227 /nfs/dbraw/zinc/02/12/27/831021227.db2.gz FZIFOOPWBQOKAW-KBPBESRZSA-N 2 0 329.441 -0.800 20 0 EBADRP O=C(C[NH+]1CCCC1)NCC[NH2+]C[C@@H](O)COCc1ccco1 ZINC001151100737 831025680 /nfs/dbraw/zinc/02/56/80/831025680.db2.gz GDLRFVZMNNMITD-CQSZACIVSA-N 2 0 325.409 -0.041 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C[NH+]1CCCC1)C(=O)NC(=O)NC1CC1 ZINC001151106922 831026033 /nfs/dbraw/zinc/02/60/33/831026033.db2.gz KTJBZLSFQXLQHB-LLVKDONJSA-N 2 0 325.413 -0.835 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151106778 831026079 /nfs/dbraw/zinc/02/60/79/831026079.db2.gz HFKGNPYXVPAENO-GFCCVEGCSA-N 2 0 327.429 -0.589 20 0 EBADRP O=C(C[NH+]1CCCC1)NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001151101090 831026531 /nfs/dbraw/zinc/02/65/31/831026531.db2.gz LHTQJSGMFOQBPB-HUUCEWRRSA-N 2 0 329.441 -0.656 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C[NH+]2CCCC2)C[C@@H](C)O1 ZINC001151101117 831026610 /nfs/dbraw/zinc/02/66/10/831026610.db2.gz MMQHMARMUCWCID-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151101564 831026653 /nfs/dbraw/zinc/02/66/53/831026653.db2.gz SNZUGZADPQHIAQ-CYBMUJFWSA-N 2 0 341.456 -0.342 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001151152881 831030973 /nfs/dbraw/zinc/03/09/73/831030973.db2.gz XAPWANXLDYMSCN-AWEZNQCLSA-N 2 0 348.447 -0.040 20 0 EBADRP CC(C)N1CC[C@H]([NH2+]CCNC(=O)[C@H](C)C[NH+]2CCOCC2)C1=O ZINC001151156436 831033259 /nfs/dbraw/zinc/03/32/59/831033259.db2.gz CLXJVHMGTDEBJD-CABCVRRESA-N 2 0 340.468 -0.330 20 0 EBADRP CCC(CC)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151156344 831033324 /nfs/dbraw/zinc/03/33/24/831033324.db2.gz APMSMAYDHKMZJY-AWEZNQCLSA-N 2 0 342.484 -0.035 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCCN1CCCC1=O ZINC001151156639 831033954 /nfs/dbraw/zinc/03/39/54/831033954.db2.gz FTADHJLRFOUFIA-HNNXBMFYSA-N 2 0 340.468 -0.327 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001151157452 831034716 /nfs/dbraw/zinc/03/47/16/831034716.db2.gz LOBCORNQNAHIAM-ZDUSSCGKSA-N 2 0 335.470 -0.905 20 0 EBADRP CCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151156489 831034792 /nfs/dbraw/zinc/03/47/92/831034792.db2.gz DOUWGVWJPWCQPX-HUUCEWRRSA-N 2 0 342.484 -0.035 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)NC1CCCC1 ZINC001151156626 831035288 /nfs/dbraw/zinc/03/52/88/831035288.db2.gz FMVNQWGRNATQIH-AWEZNQCLSA-N 2 0 340.468 -0.281 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001151159402 831036624 /nfs/dbraw/zinc/03/66/24/831036624.db2.gz STEOXFNCZWAHRS-ZIAGYGMSSA-N 2 0 326.441 -0.719 20 0 EBADRP CCC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151160812 831037547 /nfs/dbraw/zinc/03/75/47/831037547.db2.gz ZCTMDFOJTALHAE-CABCVRRESA-N 2 0 342.484 -0.035 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152146382 831134118 /nfs/dbraw/zinc/13/41/18/831134118.db2.gz JCJOVCRRZCYMSC-STQMWFEESA-N 2 0 334.486 -0.496 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152224277 831143533 /nfs/dbraw/zinc/14/35/33/831143533.db2.gz UEVQONKAZKHLOU-UHFFFAOYSA-N 2 0 348.513 -0.102 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152230867 831143936 /nfs/dbraw/zinc/14/39/36/831143936.db2.gz ORDIJJLZHWMJCD-HNNXBMFYSA-N 2 0 331.457 -0.408 20 0 EBADRP COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152339728 831153904 /nfs/dbraw/zinc/15/39/04/831153904.db2.gz AQBPZRJMCSFVIA-CVEARBPZSA-N 2 0 345.484 -0.019 20 0 EBADRP C[NH+](C)Cc1ccccc1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001152384821 831157682 /nfs/dbraw/zinc/15/76/82/831157682.db2.gz YXIRTQAARBFSTC-UHFFFAOYSA-N 2 0 342.465 -0.383 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC001152432557 831163405 /nfs/dbraw/zinc/16/34/05/831163405.db2.gz KXQUQVLYULKVIH-AWEZNQCLSA-N 2 0 336.440 -0.429 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001152452118 831163941 /nfs/dbraw/zinc/16/39/41/831163941.db2.gz SPZWKRSIYPAMCB-GJZGRUSLSA-N 2 0 340.468 -0.138 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CCN1C(=O)CCC1=O)[NH+]1CCCC1 ZINC001152471291 831165101 /nfs/dbraw/zinc/16/51/01/831165101.db2.gz KPHNFORNXJVJAG-INIZCTEOSA-N 2 0 338.452 -0.038 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152471617 831165711 /nfs/dbraw/zinc/16/57/11/831165711.db2.gz MWYKBMQIIOPBGG-MRXNPFEDSA-N 2 0 342.484 -0.035 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001152458590 831165851 /nfs/dbraw/zinc/16/58/51/831165851.db2.gz RGAOGPOYCCDNPT-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[C@H](C(=O)NCC[NH2+]CC(=O)N1CCOCC1)[NH+]1CCCC1 ZINC001152473554 831166452 /nfs/dbraw/zinc/16/64/52/831166452.db2.gz WMSYLZJPQNZLOY-MRXNPFEDSA-N 2 0 340.468 -0.329 20 0 EBADRP CN(CC[NH2+]CCNC(=O)CCCC[NH+]1CCCC1)S(C)(=O)=O ZINC001153314631 831222678 /nfs/dbraw/zinc/22/26/78/831222678.db2.gz PQYBWDZAQLPFHH-UHFFFAOYSA-N 2 0 348.513 -0.150 20 0 EBADRP C[C@@H]1C[C@@H](CNc2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C[NH2+]1 ZINC001155095601 831384340 /nfs/dbraw/zinc/38/43/40/831384340.db2.gz RCIWRUDLESGCJJ-GHMZBOCLSA-N 2 0 339.465 -0.022 20 0 EBADRP COC(=O)[C@@H]([NH3+])C1CCN(c2cncc(N3CC[NH2+]CC3)n2)CC1 ZINC001155154328 831388612 /nfs/dbraw/zinc/38/86/12/831388612.db2.gz UZYQINGUEMCHSD-HNNXBMFYSA-N 2 0 334.424 -0.397 20 0 EBADRP O=C(c1cccnc1N[C@@]12CC[NH2+][C@@H]1CC(=O)N2)N1CC[NH2+]CC1 ZINC001155574716 831414326 /nfs/dbraw/zinc/41/43/26/831414326.db2.gz JIJWJUQRXHZMOC-WBMJQRKESA-N 2 0 330.392 -0.883 20 0 EBADRP COCCS(=O)(=O)CCC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155814520 831433599 /nfs/dbraw/zinc/43/35/99/831433599.db2.gz YWQNTYJBPCNWME-CQSZACIVSA-N 2 0 349.497 -0.372 20 0 EBADRP CC[N@H+](CCN1CCNC1=O)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156890532 831512684 /nfs/dbraw/zinc/51/26/84/831512684.db2.gz OEGMIGUGUAINRE-KGLIPLIRSA-N 2 0 325.457 -0.210 20 0 EBADRP CC[N@H+](C[C@H](O)COCCOC)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156935785 831515354 /nfs/dbraw/zinc/51/53/54/831515354.db2.gz WYSHAGYPDNCHGD-CVEARBPZSA-N 2 0 345.484 -0.067 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001157336308 831554607 /nfs/dbraw/zinc/55/46/07/831554607.db2.gz MRZJSURVTMDYEC-QLFBSQMISA-N 2 0 339.484 -0.437 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001157335792 831555046 /nfs/dbraw/zinc/55/50/46/831555046.db2.gz JVTUNQWVAVAFNJ-CABCVRRESA-N 2 0 339.484 -0.580 20 0 EBADRP NC(=[NH2+])NCCCCC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157379363 831563347 /nfs/dbraw/zinc/56/33/47/831563347.db2.gz LUUHSOYCEFKQSK-ZDUSSCGKSA-N 2 0 340.472 -0.124 20 0 EBADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001157448688 831566498 /nfs/dbraw/zinc/56/64/98/831566498.db2.gz FZKVMYVYRQJEML-AWEZNQCLSA-N 3 0 326.441 -0.414 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001157496806 831571744 /nfs/dbraw/zinc/57/17/44/831571744.db2.gz HWQBZLGMGJOKCC-UONOGXRCSA-N 2 0 326.441 -0.447 20 0 EBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001157496770 831571753 /nfs/dbraw/zinc/57/17/53/831571753.db2.gz GUXJUWVNDLDKOS-LSDHHAIUSA-N 2 0 340.468 -0.105 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCn2nc(C(F)(F)F)nc2C1 ZINC001157521698 831576010 /nfs/dbraw/zinc/57/60/10/831576010.db2.gz JHHAIQOVQOQPFK-ZETCQYMHSA-N 2 0 338.359 -0.342 20 0 EBADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001157842134 831597186 /nfs/dbraw/zinc/59/71/86/831597186.db2.gz JPBALMDMMJKUHA-UPJWGTAASA-N 2 0 333.440 -0.490 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](O)[C@H](F)C1 ZINC001157856261 831598175 /nfs/dbraw/zinc/59/81/75/831598175.db2.gz UBCXDPWUTPVKNU-ZOBORPQBSA-N 2 0 344.431 -0.635 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001157886253 831602861 /nfs/dbraw/zinc/60/28/61/831602861.db2.gz DBSMXLCDGVLINW-GFCCVEGCSA-N 2 0 327.429 -0.589 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158091845 831626834 /nfs/dbraw/zinc/62/68/34/831626834.db2.gz IRJLQERZHWZDMA-ZDUSSCGKSA-N 2 0 340.468 -0.025 20 0 EBADRP [NH3+][C@]1(C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)CCc2cc(F)ccc2C1 ZINC001158101203 831628133 /nfs/dbraw/zinc/62/81/33/831628133.db2.gz HGQKTWDOFXPJII-ZWKOTPCHSA-N 2 0 346.406 -0.298 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102231 831628368 /nfs/dbraw/zinc/62/83/68/831628368.db2.gz PRKDXVYURLALFS-BBRMVZONSA-N 2 0 338.358 -0.475 20 0 EBADRP C[C@@H](OC(C)(C)C)[C@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158112203 831629158 /nfs/dbraw/zinc/62/91/58/831629158.db2.gz WWYIAUFPFURYOL-PEBVRCNWSA-N 2 0 338.452 -0.545 20 0 EBADRP [NH3+][C@H](C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)c1ccc(O)cc1 ZINC001158110372 831629249 /nfs/dbraw/zinc/62/92/49/831629249.db2.gz GSNFQXSXXFTXLI-SUMWQHHRSA-N 2 0 330.388 -0.670 20 0 EBADRP C[NH2+][C@H](Cc1ccccc1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119839 831629661 /nfs/dbraw/zinc/62/96/61/831629661.db2.gz HTFUPFZXUGHBHW-BEFAXECRSA-N 2 0 342.443 -0.245 20 0 EBADRP O=C([C@@H]1CC[C@@]2(C1)C[NH2+]CCO2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158118762 831629720 /nfs/dbraw/zinc/62/97/20/831629720.db2.gz DFGYYWHBRFZLBF-XWIAVFTESA-N 2 0 348.447 -0.917 20 0 EBADRP C[C@H](C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001158119353 831629977 /nfs/dbraw/zinc/62/99/77/831629977.db2.gz GEIYQEHXOKUHJR-KYZVSKTDSA-N 2 0 334.464 -0.051 20 0 EBADRP [NH3+][C@]1(C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CCc2ccccc21 ZINC001158121363 831630716 /nfs/dbraw/zinc/63/07/16/831630716.db2.gz RWSPTOMICOIQAV-RTBURBONSA-N 2 0 340.427 -0.275 20 0 EBADRP O=C(c1cncc2c1CC[NH2+]C2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158121179 831630754 /nfs/dbraw/zinc/63/07/54/831630754.db2.gz XCSJUNBVVHIYHT-GOSISDBHSA-N 2 0 341.415 -0.721 20 0 EBADRP [NH3+]C[C@H](Cc1ccccc1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120416 831631046 /nfs/dbraw/zinc/63/10/46/831631046.db2.gz MJPCGHOGTLEPHD-KXBFYZLASA-N 2 0 342.443 -0.258 20 0 EBADRP O=C([C@H]1CCSC12C[NH2+]C2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120967 831631174 /nfs/dbraw/zinc/63/11/74/831631174.db2.gz QGKVHVBRGBLREY-ABAIWWIYSA-N 2 0 336.461 -0.980 20 0 EBADRP O=C([C@@H]1CCC[NH2+]1)N1CCC[C@H]1C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158167918 831633978 /nfs/dbraw/zinc/63/39/78/831633978.db2.gz OVFCUJAHASLLKJ-CBBWQLFWSA-N 2 0 336.436 -0.824 20 0 EBADRP CCOC(=O)c1cc2n(n1)CCCN(C(=O)[C@]13C[NH2+]C[C@@H]1CCN3)C2 ZINC001158189998 831637754 /nfs/dbraw/zinc/63/77/54/831637754.db2.gz BTHFUNQHZVNROM-SJCJKPOMSA-N 2 0 347.419 -0.256 20 0 EBADRP O=C(NCCC[NH2+]C[C@H](O)Cn1cccn1)[C@H]1C[NH+]2CCC1CC2 ZINC001158202224 831638631 /nfs/dbraw/zinc/63/86/31/831638631.db2.gz HNTTWZRVGQLHAQ-HOTGVXAUSA-N 2 0 335.452 -0.318 20 0 EBADRP O=C(NCCC[NH2+]C[C@H]1CCS(=O)(=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001158196811 831638747 /nfs/dbraw/zinc/63/87/47/831638747.db2.gz OJGPSBWZSYGKGK-HIFRSBDPSA-N 2 0 343.493 -0.141 20 0 EBADRP O=C(NCCC[NH2+]Cc1nnnn1C1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001158197334 831638904 /nfs/dbraw/zinc/63/89/04/831638904.db2.gz WUCMJMJYTIMFLV-CQSZACIVSA-N 2 0 333.440 -0.054 20 0 EBADRP CO[C@@H]1CC[NH2+][C@@H](C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)C1 ZINC001158277088 831642773 /nfs/dbraw/zinc/64/27/73/831642773.db2.gz HZSZDUQPOTUCEV-CHWSQXEVSA-N 2 0 334.424 -0.534 20 0 EBADRP C[NH2+][C@@H]1CCCN(CC(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)C1 ZINC001158277130 831643130 /nfs/dbraw/zinc/64/31/30/831643130.db2.gz JNIUIDSPTIHOQV-CQSZACIVSA-N 2 0 347.467 -0.617 20 0 EBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001158288634 831644023 /nfs/dbraw/zinc/64/40/23/831644023.db2.gz ZBWPORGSTHHEET-UHFFFAOYSA-N 2 0 338.456 -0.321 20 0 EBADRP O=C([C@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158305942 831645113 /nfs/dbraw/zinc/64/51/13/831645113.db2.gz MFBGSYLJKHFBAU-XZKYRNBSSA-N 2 0 326.400 -0.084 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001158412111 831652738 /nfs/dbraw/zinc/65/27/38/831652738.db2.gz MUEWFGBCHKDUDH-UONOGXRCSA-N 2 0 338.452 -0.038 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158449515 831655588 /nfs/dbraw/zinc/65/55/88/831655588.db2.gz BVPDVUYJQHYURM-QWHCGFSZSA-N 2 0 341.456 -0.166 20 0 EBADRP CCn1ncnc1C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158486177 831658323 /nfs/dbraw/zinc/65/83/23/831658323.db2.gz HJIOTDKKADOUNI-KGLIPLIRSA-N 2 0 336.440 -0.243 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158486112 831658953 /nfs/dbraw/zinc/65/89/53/831658953.db2.gz FSUIJWCMWWABSN-LSDHHAIUSA-N 2 0 340.468 -0.188 20 0 EBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158487365 831660192 /nfs/dbraw/zinc/66/01/92/831660192.db2.gz YQJXGOCMVWUQCB-ZIAGYGMSSA-N 2 0 326.441 -0.530 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C[C@@H]1C[NH2+]CC1(F)F ZINC001158499106 831661145 /nfs/dbraw/zinc/66/11/45/831661145.db2.gz WIVGBWRRZNGIKJ-WHOHXGKFSA-N 2 0 331.363 -0.017 20 0 EBADRP COc1cncc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001158508862 831661997 /nfs/dbraw/zinc/66/19/97/831661997.db2.gz XFCXIHZMTQSIOK-LSDHHAIUSA-N 2 0 349.435 -0.056 20 0 EBADRP O=C(NCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC1 ZINC001158509156 831662035 /nfs/dbraw/zinc/66/20/35/831662035.db2.gz ZTNGPFGIPFFNFX-GJZGRUSLSA-N 2 0 338.452 -0.528 20 0 EBADRP COc1cncc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001158508859 831662173 /nfs/dbraw/zinc/66/21/73/831662173.db2.gz XFCXIHZMTQSIOK-CABCVRRESA-N 2 0 349.435 -0.056 20 0 EBADRP Cn1nccc1CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158505633 831662251 /nfs/dbraw/zinc/66/22/51/831662251.db2.gz DJAONQJCPSYUIV-CVEARBPZSA-N 2 0 335.452 -0.078 20 0 EBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158544366 831664142 /nfs/dbraw/zinc/66/41/42/831664142.db2.gz DTHNZRIWQKUIQK-JARXUMMXSA-N 2 0 338.452 -0.545 20 0 EBADRP O=C(c1cnc2n1CC[NH2+]CC2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158545418 831664437 /nfs/dbraw/zinc/66/44/37/831664437.db2.gz CTXNEZDXJOIUAB-PBFPGSCMSA-N 2 0 331.420 -0.378 20 0 EBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158548701 831664500 /nfs/dbraw/zinc/66/45/00/831664500.db2.gz XHNBZWUPVKUOHC-PNBKFKSVSA-N 2 0 338.452 -0.401 20 0 EBADRP [NH3+][C@H]1CCCCN(CC(=O)N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)C1=O ZINC001158577300 831667028 /nfs/dbraw/zinc/66/70/28/831667028.db2.gz HDBYUIWPVCSGCT-XQQFMLRXSA-N 2 0 326.416 -0.138 20 0 EBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158576252 831667043 /nfs/dbraw/zinc/66/70/43/831667043.db2.gz AVBGNSPNVBSVPI-TUAOUCFPSA-N 2 0 332.445 -0.324 20 0 EBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]1CCCC[NH2+]1 ZINC001158735527 831682037 /nfs/dbraw/zinc/68/20/37/831682037.db2.gz VELKSLUBBVIDHV-NSHDSACASA-N 2 0 342.421 -0.249 20 0 EBADRP CCn1nnc2c1[C@H](COC)CN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001158790369 831686594 /nfs/dbraw/zinc/68/65/94/831686594.db2.gz LLEMJNYIVHYKQQ-JSGCOSHPSA-N 2 0 336.440 -0.303 20 0 EBADRP N[C@]1(C(=O)N(c2ncccc2F)[C@H]2CO[C@]3(CC[NH2+]C3)C2)CC[NH2+]C1 ZINC001158905090 831694862 /nfs/dbraw/zinc/69/48/62/831694862.db2.gz WCDRUPOAJPEURP-CSMYWGQOSA-N 2 0 349.410 -0.235 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001158934971 831698079 /nfs/dbraw/zinc/69/80/79/831698079.db2.gz LZSPXOYTBNBOIF-RRFJBIMHSA-N 2 0 331.420 -0.150 20 0 EBADRP CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)C[NH2+]CCC[NH3+])C[C@@H]21 ZINC001159046744 831705347 /nfs/dbraw/zinc/70/53/47/831705347.db2.gz JTFTVSURZMKUGK-MGPQQGTHSA-N 2 0 326.441 -0.733 20 0 EBADRP C[C@@H]([NH3+])C(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001159124631 831710301 /nfs/dbraw/zinc/71/03/01/831710301.db2.gz OXRNTZBRCLJKEV-OCCSQVGLSA-N 2 0 336.440 -0.300 20 0 EBADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001159135715 831710670 /nfs/dbraw/zinc/71/06/70/831710670.db2.gz YACPQDFBXFQDBT-KGLIPLIRSA-N 2 0 348.451 -0.647 20 0 EBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1CCC[C@H]1[NH3+])CC2 ZINC001159191172 831717779 /nfs/dbraw/zinc/71/77/79/831717779.db2.gz RATGJCNVVLWRCO-DGCLKSJQSA-N 2 0 349.435 -0.022 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001159209837 831721654 /nfs/dbraw/zinc/72/16/54/831721654.db2.gz NHPIOGBGXIWGRF-ZJIFWQFVSA-N 2 0 334.420 -0.110 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H](O)COCCOC ZINC001159334804 831740841 /nfs/dbraw/zinc/74/08/41/831740841.db2.gz IRVMGKRGSPLSMK-CVEARBPZSA-N 2 0 345.484 -0.019 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O ZINC001159335399 831740929 /nfs/dbraw/zinc/74/09/29/831740929.db2.gz ZVMZHDNMWFTFRU-CQSZACIVSA-N 2 0 348.513 -0.152 20 0 EBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159402836 831750084 /nfs/dbraw/zinc/75/00/84/831750084.db2.gz KOIZXRVOKVSCGE-XPABHHOTSA-N 2 0 347.419 -0.843 20 0 EBADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)C[C@@H](O)C[NH3+])C2 ZINC001159472479 831756210 /nfs/dbraw/zinc/75/62/10/831756210.db2.gz USHLBYWVHYKXOK-BFYDXBDKSA-N 2 0 325.453 -0.097 20 0 EBADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159664141 831769813 /nfs/dbraw/zinc/76/98/13/831769813.db2.gz CMVUQVGKAMOOLI-TWMKSMIVSA-N 2 0 346.431 -0.536 20 0 EBADRP Cn1cc(N2C[C@]3(CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C3)CC2=O)cn1 ZINC001159750406 831778423 /nfs/dbraw/zinc/77/84/23/831778423.db2.gz KEEOKLCJGFUWBE-XJKSGUPXSA-N 2 0 334.424 -0.558 20 0 EBADRP CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001159868738 831791012 /nfs/dbraw/zinc/79/10/12/831791012.db2.gz KWHPMPIDQVTKKV-AWEZNQCLSA-N 2 0 326.441 -0.528 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CC(=O)Nc1nncs1)C1CC1 ZINC001159915751 831796663 /nfs/dbraw/zinc/79/66/63/831796663.db2.gz NBJHXEGNAXMDNQ-GFCCVEGCSA-N 2 0 340.453 -0.087 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159932427 831799355 /nfs/dbraw/zinc/79/93/55/831799355.db2.gz QXQSEZQBTRBHMC-CABCVRRESA-N 2 0 331.457 -0.554 20 0 EBADRP CN(CC[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1)S(C)(=O)=O ZINC001159997610 831804367 /nfs/dbraw/zinc/80/43/67/831804367.db2.gz UFSUMDMYEVJJDZ-UHFFFAOYSA-N 2 0 334.486 -0.542 20 0 EBADRP N[C@@H](CC[NH3+])C(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160137161 831818601 /nfs/dbraw/zinc/81/86/01/831818601.db2.gz ANXVASOIXVDQJU-AYDFFVQHSA-N 2 0 333.436 -0.142 20 0 EBADRP CC(=O)NCc1ncn2c1CN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)CCC2 ZINC001160323880 831838018 /nfs/dbraw/zinc/83/80/18/831838018.db2.gz OGLYKAPKACIAGV-CYBMUJFWSA-N 2 0 346.435 -0.940 20 0 EBADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)[C@H]2C[NH2+]C[C@@H]2N)CC1 ZINC001160390619 831842956 /nfs/dbraw/zinc/84/29/56/831842956.db2.gz DHCCQRQMICVYLD-KBPBESRZSA-N 2 0 337.468 -0.922 20 0 EBADRP CCOC(=O)[C@H]1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CCC1=O ZINC001160428376 831848499 /nfs/dbraw/zinc/84/84/99/831848499.db2.gz SWBITZJUVNLKTO-QWRGUYRKSA-N 2 0 331.438 -0.624 20 0 EBADRP CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001160439564 831850824 /nfs/dbraw/zinc/85/08/24/831850824.db2.gz MGNDHIZVSNPSIJ-QWHCGFSZSA-N 2 0 342.440 -0.674 20 0 EBADRP C[NH2+]CC1CCN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)CC1 ZINC001160456549 831853719 /nfs/dbraw/zinc/85/37/19/831853719.db2.gz MUVVKZIKXIQUPG-CYBMUJFWSA-N 2 0 333.440 -0.618 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC([NH3+])CC1 ZINC001160514486 831860332 /nfs/dbraw/zinc/86/03/32/831860332.db2.gz SXOVSOXEJNATJU-KBPBESRZSA-N 3 0 325.457 -0.617 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CC2(C1)CN(c1ccccc1)C2=O ZINC001160573885 831864959 /nfs/dbraw/zinc/86/49/59/831864959.db2.gz WZSYMVPZCCRNLK-ZDUSSCGKSA-N 2 0 334.445 -0.119 20 0 EBADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160588384 831867487 /nfs/dbraw/zinc/86/74/87/831867487.db2.gz ALWPHZNEVJRIIZ-OCCSQVGLSA-N 2 0 330.388 -0.577 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001160628230 831872395 /nfs/dbraw/zinc/87/23/95/831872395.db2.gz AJPVYEXUUVBTRE-OAHLLOKOSA-N 2 0 341.500 -0.951 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CN(c2ccccc2)C3)CCO1 ZINC001160644298 831874829 /nfs/dbraw/zinc/87/48/29/831874829.db2.gz YKIXCJNXXUZURP-QILLFSRXSA-N 2 0 330.432 -0.102 20 0 EBADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@@]23C(=O)Nc2ccccc23)C[C@H]1O ZINC001160652419 831876671 /nfs/dbraw/zinc/87/66/71/831876671.db2.gz DHZCVSYREYXFII-RKCSVJPLSA-N 2 0 330.388 -0.984 20 0 EBADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CC23C[NH2+]C3)C[C@H]1O ZINC001160656574 831877134 /nfs/dbraw/zinc/87/71/34/831877134.db2.gz YZXPIUKZTUVUJJ-BRWVUGGUSA-N 2 0 344.459 -0.372 20 0 EBADRP [NH3+][C@@H](C(=O)N1CCC(OCC(=O)NC2CC2)CC1)C1CC[NH2+]CC1 ZINC001160742515 831882069 /nfs/dbraw/zinc/88/20/69/831882069.db2.gz OMPDFARLXCPUNQ-MRXNPFEDSA-N 2 0 338.452 -0.401 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC001160766033 831885220 /nfs/dbraw/zinc/88/52/20/831885220.db2.gz HQWNCUMQTXLIIO-QLFBSQMISA-N 2 0 344.415 -0.304 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001160765708 831885267 /nfs/dbraw/zinc/88/52/67/831885267.db2.gz FCAUVJFNTQDYDP-WHOHXGKFSA-N 2 0 336.358 -0.333 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3CCC4(C[NH2+]C4)O3)C[C@H]1C2 ZINC001160791779 831887799 /nfs/dbraw/zinc/88/77/99/831887799.db2.gz BUYHBDLWCJTWLC-MTVAPTMQSA-N 2 0 349.431 -0.636 20 0 EBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001160791149 831887944 /nfs/dbraw/zinc/88/79/44/831887944.db2.gz XOZAQDVRWSULQL-KGLIPLIRSA-N 2 0 326.441 -0.448 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)C3(O)CC[NH+](C)CC3)C[C@H]1C[NH2+]CC2 ZINC001160811854 831890079 /nfs/dbraw/zinc/89/00/79/831890079.db2.gz VTCYXDDIEOHOKK-CZUORRHYSA-N 2 0 339.436 -0.556 20 0 EBADRP C[NH+](C)C[C@H]1COCCN1C(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC001160838974 831892891 /nfs/dbraw/zinc/89/28/91/831892891.db2.gz MGBDXNOZZLPQHT-HOTGVXAUSA-N 2 0 348.447 -0.538 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160870007 831901793 /nfs/dbraw/zinc/90/17/93/831901793.db2.gz UUMYTBCJSPPLPB-KGLIPLIRSA-N 2 0 346.497 -0.352 20 0 EBADRP CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC1CCOCC1)[NH+](C)C ZINC001160882985 831903203 /nfs/dbraw/zinc/90/32/03/831903203.db2.gz DBUDDAFJODVCGU-CQSZACIVSA-N 2 0 328.457 -0.282 20 0 EBADRP CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1)[NH+](C)C ZINC001160890176 831903754 /nfs/dbraw/zinc/90/37/54/831903754.db2.gz XSXIWGUTXASMPQ-UONOGXRCSA-N 2 0 328.457 -0.425 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC(Oc2cnccn2)CC1 ZINC001160889767 831903926 /nfs/dbraw/zinc/90/39/26/831903926.db2.gz AVJMPWISPGXODX-HNNXBMFYSA-N 2 0 348.451 -0.403 20 0 EBADRP COC[C@H](O)C[NH2+]CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001160951338 831909200 /nfs/dbraw/zinc/90/92/00/831909200.db2.gz HJISAMCRZGCEEK-CQSZACIVSA-N 2 0 331.457 -0.552 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001160951427 831909364 /nfs/dbraw/zinc/90/93/64/831909364.db2.gz KBOAVXJFZFDGOD-UHFFFAOYSA-N 2 0 340.468 -0.281 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCOC[C@@H]1c1cccnc1 ZINC001160952692 831910303 /nfs/dbraw/zinc/91/03/03/831910303.db2.gz YVMBKKWYRDCXPB-JKSUJKDBSA-N 2 0 333.436 -0.268 20 0 EBADRP C[N@@H+]1C[C@H](C(=O)N2C[C@@H]([NH3+])CC(F)(F)C2)OC2(CC[NH2+]CC2)C1 ZINC001160966886 831910939 /nfs/dbraw/zinc/91/09/39/831910939.db2.gz FDCQUOPDYGLTOR-NWDGAFQWSA-N 3 0 332.395 -0.366 20 0 EBADRP O=C([C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001160999540 831913344 /nfs/dbraw/zinc/91/33/44/831913344.db2.gz HGCRYZKZFVGZFU-BZUAXINKSA-N 2 0 336.480 -0.224 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001161041552 831915989 /nfs/dbraw/zinc/91/59/89/831915989.db2.gz KDLUPMRTJKJCMQ-AWEZNQCLSA-N 2 0 346.497 -0.398 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@H]2CCCC[N@@H+]2C)CCO1 ZINC001161053746 831918274 /nfs/dbraw/zinc/91/82/74/831918274.db2.gz YJGXZZNSMBPKDT-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1C[N@@H+](C(C)(C)C)CCN1 ZINC001161157597 831933078 /nfs/dbraw/zinc/93/30/78/831933078.db2.gz GGODWCTUWGFEJS-CYBMUJFWSA-N 2 0 328.457 -0.201 20 0 EBADRP CCC[NH+]1C[C@H]2CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)C[C@@H]2C1 ZINC001161176323 831935360 /nfs/dbraw/zinc/93/53/60/831935360.db2.gz SWBVCFPNGIJPND-STQMWFEESA-N 2 0 332.470 -0.993 20 0 EBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC[NH+](CCC(C)(C)O)CC1 ZINC001161176273 831935702 /nfs/dbraw/zinc/93/57/02/831935702.db2.gz RUYCSDGNQSPCJF-AWEZNQCLSA-N 2 0 342.484 -0.219 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001161227077 831938346 /nfs/dbraw/zinc/93/83/46/831938346.db2.gz UDGPKSCIJZGNGO-UHFFFAOYSA-N 2 0 327.429 -0.636 20 0 EBADRP [NH3+]C[C@@]1(F)CCN(C(=O)c2cnn3c2nccc3[C@@H]2C[NH2+]CCO2)C1 ZINC001161246964 831940385 /nfs/dbraw/zinc/94/03/85/831940385.db2.gz TXJYXTNEJGDFTH-BBRMVZONSA-N 2 0 348.382 -0.097 20 0 EBADRP O=C([C@H]1COC2(C[NH2+]C2)CN1)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161270732 831944012 /nfs/dbraw/zinc/94/40/12/831944012.db2.gz RARZSRSURMFXEP-JKSUJKDBSA-N 2 0 345.447 -0.507 20 0 EBADRP COc1cc(N2CCN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)CC2)ccn1 ZINC001161306796 831946118 /nfs/dbraw/zinc/94/61/18/831946118.db2.gz ZKFAGUVZQMXAAB-RDTXWAMCSA-N 2 0 345.447 -0.062 20 0 EBADRP COc1cc(C)nc(N(C(=O)[C@@H]2C[NH2+]C[C@@H]2O)C2CC[NH2+]CC2)n1 ZINC001161309468 831947022 /nfs/dbraw/zinc/94/70/22/831947022.db2.gz QHGNNKJTVNHIFB-OLZOCXBDSA-N 2 0 335.408 -0.541 20 0 EBADRP COc1cc(C)nc(N(C(=O)[C@@H]2C[NH2+]C[C@H]2O)C2CC[NH2+]CC2)n1 ZINC001161309461 831947410 /nfs/dbraw/zinc/94/74/10/831947410.db2.gz QHGNNKJTVNHIFB-CHWSQXEVSA-N 2 0 335.408 -0.541 20 0 EBADRP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001161388273 831952270 /nfs/dbraw/zinc/95/22/70/831952270.db2.gz XFUYRTZWTMANJV-AWEZNQCLSA-N 2 0 349.410 -0.364 20 0 EBADRP COc1cc(O[C@@H]2CCN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C2)ccn1 ZINC001161395004 831953154 /nfs/dbraw/zinc/95/31/54/831953154.db2.gz QTTOSSYAGLJIAP-ZIAGYGMSSA-N 2 0 332.404 -0.121 20 0 EBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3Cn4cnnc4C34CC[NH2+]CC4)C[C@@H]12 ZINC001161411939 831955439 /nfs/dbraw/zinc/95/54/39/831955439.db2.gz CVWVSABYWKOAOJ-AAVRWANBSA-N 2 0 330.436 -0.275 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161423995 831957036 /nfs/dbraw/zinc/95/70/36/831957036.db2.gz VLUFXXMQLRNDML-KKUMJFAQSA-N 3 0 337.468 -0.650 20 0 EBADRP C[NH+](C)CCN(C(=O)[C@@H]1C[NH2+]Cc2ccnn2C1)[C@H]1CCC[NH2+]C1 ZINC001161443445 831957846 /nfs/dbraw/zinc/95/78/46/831957846.db2.gz UTJXJYCJLOJPOL-CABCVRRESA-N 3 0 334.468 -0.255 20 0 EBADRP C[NH+](C)CCN(C(=O)CN1CCCC[C@H]([NH3+])C1=O)[C@@H]1CCC[NH2+]C1 ZINC001161444033 831957878 /nfs/dbraw/zinc/95/78/78/831957878.db2.gz AEICHKRNEWRFPA-CABCVRRESA-N 3 0 339.484 -0.532 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161445094 831958109 /nfs/dbraw/zinc/95/81/09/831958109.db2.gz NPLXUCNTUOXEKX-GJZGRUSLSA-N 3 0 341.500 -0.382 20 0 EBADRP CN(CC(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001161447451 831958223 /nfs/dbraw/zinc/95/82/23/831958223.db2.gz XOFDPCALUZWROK-CVEARBPZSA-N 3 0 325.501 -0.188 20 0 EBADRP C[NH2+][C@@H]1CCCN(CC(=O)N(CC[NH+](C)C)[C@H]2CCC[NH2+]C2)C1 ZINC001161448813 831958865 /nfs/dbraw/zinc/95/88/65/831958865.db2.gz HTJNEJBKVIIMHK-CVEARBPZSA-N 3 0 325.501 -0.188 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)CCCCNC(N)=[NH2+])CC2 ZINC001161477685 831963497 /nfs/dbraw/zinc/96/34/97/831963497.db2.gz FZAZNPUNNLAPSB-ABAIWWIYSA-N 2 0 325.413 -0.607 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[C@@H]3CC[NH2+]C[C@H]3O1)CC2 ZINC001161481283 831964102 /nfs/dbraw/zinc/96/41/02/831964102.db2.gz XJFJWGLPGHANSH-CNUKPYSBSA-N 2 0 337.420 -0.493 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@@](C)(C[NH3+])C1 ZINC001161487146 831965039 /nfs/dbraw/zinc/96/50/39/831965039.db2.gz DOCNHOAKQRWATO-LRDDRELGSA-N 2 0 328.457 -0.168 20 0 EBADRP CO[C@@H]1CN(C(=O)c2cnn3c2nccc3[C@@H]2C[NH2+]CCO2)C[C@@H]1[NH3+] ZINC001161493555 831966095 /nfs/dbraw/zinc/96/60/95/831966095.db2.gz OWWPPRWVOXJVFH-FPMFFAJLSA-N 2 0 346.391 -0.812 20 0 EBADRP C[N@H+](C1CN(C(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)C1)[C@H]1CCOC1 ZINC001161499548 831967012 /nfs/dbraw/zinc/96/70/12/831967012.db2.gz PPWLOGABBJEWNR-OAGGEKHMSA-N 2 0 336.480 -0.008 20 0 EBADRP COC(=O)c1cnc2c(c1)CN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)CC2 ZINC001161572311 831973812 /nfs/dbraw/zinc/97/38/12/831973812.db2.gz JQIZVOCGLNZQRW-RDTXWAMCSA-N 2 0 344.415 -0.048 20 0 EBADRP O=C(NCCC[NH2+]CCN1C(=O)CNC1=O)c1ccn2c[nH+]cc2c1 ZINC001161873016 832000394 /nfs/dbraw/zinc/00/03/94/832000394.db2.gz SORQXKYUXJTYEM-UHFFFAOYSA-N 2 0 344.375 -0.404 20 0 EBADRP CCOC(=O)c1c(C[NH3+])ncn1-c1nccc(N2CC[NH2+]CC2)n1 ZINC001162529667 832051002 /nfs/dbraw/zinc/05/10/02/832051002.db2.gz CUTASJGTMIJBIB-UHFFFAOYSA-N 2 0 331.380 -0.293 20 0 EBADRP CNC(=O)C[NH+]1CCC(CNC(=O)C[NH+]2CCCC2)(COC)CC1 ZINC001162604407 832055557 /nfs/dbraw/zinc/05/55/57/832055557.db2.gz RHULAKDATXVGRP-UHFFFAOYSA-N 2 0 340.468 -0.327 20 0 EBADRP O=C(NCCC[NH2+][C@@H]1CCCNC1=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872381 832068673 /nfs/dbraw/zinc/06/86/73/832068673.db2.gz QDLRRDNFEZNTKB-DLOXAQCQSA-N 2 0 336.436 -0.776 20 0 EBADRP c1cc(NCc2nnn3c2C[NH2+]CCC3)nc(N2CC[NH2+]CC2)n1 ZINC001162972966 832073067 /nfs/dbraw/zinc/07/30/67/832073067.db2.gz MWKYBDVOTQOXAX-UHFFFAOYSA-N 2 0 329.412 -0.417 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001163224748 832092103 /nfs/dbraw/zinc/09/21/03/832092103.db2.gz YJOLATGSUHJRMA-AWEZNQCLSA-N 2 0 339.440 -0.588 20 0 EBADRP O=C(NCCC[NH2+][C@@H]1CCC(=O)NC1=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001163232090 832092237 /nfs/dbraw/zinc/09/22/37/832092237.db2.gz MUIWRJTZSCNJEK-HIFRSBDPSA-N 2 0 336.436 -0.238 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001163851007 832145759 /nfs/dbraw/zinc/14/57/59/832145759.db2.gz DEGQXLOGXUIDEV-OAHLLOKOSA-N 2 0 345.484 -0.019 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001350332135 832155564 /nfs/dbraw/zinc/15/55/64/832155564.db2.gz GBCVIGUZDQOBLF-CYBMUJFWSA-N 2 0 339.484 -0.615 20 0 EBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001350353481 832158898 /nfs/dbraw/zinc/15/88/98/832158898.db2.gz HSYMGFJFYYYRCG-UHFFFAOYSA-N 2 0 338.412 -0.943 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001164455854 832188632 /nfs/dbraw/zinc/18/86/32/832188632.db2.gz GJOBEEQVRONFLQ-CHWSQXEVSA-N 2 0 341.456 -0.212 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001164536019 832194972 /nfs/dbraw/zinc/19/49/72/832194972.db2.gz KOPZUPWYQWOJEQ-UONOGXRCSA-N 2 0 326.441 -0.578 20 0 EBADRP CC(C)CNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001164535853 832195153 /nfs/dbraw/zinc/19/51/53/832195153.db2.gz IDYFEBZDVKEPRW-OAHLLOKOSA-N 2 0 342.484 -0.036 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCN2CCCC2=O)C1 ZINC001164535693 832195177 /nfs/dbraw/zinc/19/51/77/832195177.db2.gz ASSSIJAELCUZTG-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001164535822 832195196 /nfs/dbraw/zinc/19/51/96/832195196.db2.gz HAJMFMUWGLDUPM-DZGCQCFKSA-N 2 0 340.468 -0.141 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165367501 832217946 /nfs/dbraw/zinc/21/79/46/832217946.db2.gz WXSZFNSHKXKVGP-UHFFFAOYSA-N 2 0 329.445 -0.340 20 0 EBADRP COC[C@@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165776638 832237369 /nfs/dbraw/zinc/23/73/69/832237369.db2.gz MDTAPJITMDLYEX-ZBFHGGJFSA-N 2 0 345.484 -0.164 20 0 EBADRP COCCCNC(=O)C[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165772495 832237631 /nfs/dbraw/zinc/23/76/31/832237631.db2.gz SPOXTYOISPDPCQ-UHFFFAOYSA-N 2 0 328.457 -0.423 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165781277 832237713 /nfs/dbraw/zinc/23/77/13/832237713.db2.gz NVWSEVVBJZAWFU-UHFFFAOYSA-N 2 0 329.445 -0.484 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166626371 832275169 /nfs/dbraw/zinc/27/51/69/832275169.db2.gz FAGZPBFOBPHUBV-CYBMUJFWSA-N 2 0 334.486 -0.494 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC(=O)NC1CCOCC1 ZINC001166633325 832275220 /nfs/dbraw/zinc/27/52/20/832275220.db2.gz DHYPJDYYQPMJFZ-AWEZNQCLSA-N 2 0 340.468 -0.138 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001166627631 832275297 /nfs/dbraw/zinc/27/52/97/832275297.db2.gz XWVHOPBHFAISBD-AWEZNQCLSA-N 2 0 346.497 -0.398 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166668105 832277625 /nfs/dbraw/zinc/27/76/25/832277625.db2.gz RAWARDXSWLOJIW-GFCCVEGCSA-N 2 0 327.429 -0.730 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166668194 832277753 /nfs/dbraw/zinc/27/77/53/832277753.db2.gz UVFSEWGBXVURQG-OLZOCXBDSA-N 2 0 341.456 -0.342 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001166678579 832280386 /nfs/dbraw/zinc/28/03/86/832280386.db2.gz WNBQHAYVEGXKFT-ZIAGYGMSSA-N 2 0 331.482 -0.141 20 0 EBADRP CC(C)NC(=O)NCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001166690928 832280575 /nfs/dbraw/zinc/28/05/75/832280575.db2.gz IPTMFIHMPAKWFH-KBPBESRZSA-N 2 0 327.473 -0.012 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001166706808 832281773 /nfs/dbraw/zinc/28/17/73/832281773.db2.gz AHWVNFIWVXAQPP-RYUDHWBXSA-N 2 0 327.429 -0.874 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001166715178 832282050 /nfs/dbraw/zinc/28/20/50/832282050.db2.gz URNRMFZEQDVSHN-KGLIPLIRSA-N 2 0 348.513 -0.391 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001166708654 832282459 /nfs/dbraw/zinc/28/24/59/832282459.db2.gz VTHZAKCLPRFQDI-DGCLKSJQSA-N 2 0 339.440 -0.732 20 0 EBADRP CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)[NH+](C)C ZINC001166851457 832293690 /nfs/dbraw/zinc/29/36/90/832293690.db2.gz AVRBFXPPESBMGK-STQMWFEESA-N 2 0 343.472 -0.985 20 0 EBADRP CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NCC(C)C)[NH+](C)C ZINC001166866039 832294997 /nfs/dbraw/zinc/29/49/97/832294997.db2.gz LXRHPKPDLZZSMM-ZDUSSCGKSA-N 2 0 343.472 -0.096 20 0 EBADRP CC(=O)N(C(=O)C(=O)N1CC[NH2+]CC1)c1cccc2c1C[NH2+]CC2 ZINC001351986868 832301090 /nfs/dbraw/zinc/30/10/90/832301090.db2.gz XUJVWOXFUSYYMC-UHFFFAOYSA-N 2 0 330.388 -0.356 20 0 EBADRP CC(=O)NCCOCC[NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166970972 832304643 /nfs/dbraw/zinc/30/46/43/832304643.db2.gz AHANYKXTHGXTJZ-UHFFFAOYSA-N 2 0 342.484 -0.033 20 0 EBADRP Cn1nnnc1C[NH2+]CC1(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001166979151 832305343 /nfs/dbraw/zinc/30/53/43/832305343.db2.gz MIXKRSWGGNTIQH-UHFFFAOYSA-N 2 0 335.456 -0.072 20 0 EBADRP CNC(=O)C[NH2+]CC1(CCNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001167563534 832357901 /nfs/dbraw/zinc/35/79/01/832357901.db2.gz JWMUAFHXTHAXRB-UHFFFAOYSA-N 2 0 340.468 -0.281 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC1(C[NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001167835996 832377967 /nfs/dbraw/zinc/37/79/67/832377967.db2.gz NDTPWHRKQXUWHY-LBPRGKRZSA-N 2 0 341.456 -0.212 20 0 EBADRP CCCNC(=O)C[NH2+]CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001168043849 832389504 /nfs/dbraw/zinc/38/95/04/832389504.db2.gz MTPZJMFWZNSHGY-UHFFFAOYSA-N 2 0 338.456 -0.320 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)c1cnn(CC[NH+](C)C)c1)c1nnnn1C ZINC001168051739 832390884 /nfs/dbraw/zinc/39/08/84/832390884.db2.gz HXKDNNGSCAUUQQ-LBPRGKRZSA-N 2 0 349.443 -0.561 20 0 EBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001353583909 832434064 /nfs/dbraw/zinc/43/40/64/832434064.db2.gz VDDBNXAMUZDGMQ-GJZGRUSLSA-N 2 0 339.484 -0.674 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001168763574 832434634 /nfs/dbraw/zinc/43/46/34/832434634.db2.gz POPKIBDLLKXSCG-JKSUJKDBSA-N 2 0 345.484 -0.019 20 0 EBADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)C2 ZINC001169100044 832447960 /nfs/dbraw/zinc/44/79/60/832447960.db2.gz FEHOQMMPUOITOL-QKDCVEJESA-N 2 0 330.498 -0.222 20 0 EBADRP CC1CC[NH+](CC(=O)NCCC[NH2+]CC(=O)N2CCOCC2)CC1 ZINC001169127291 832450124 /nfs/dbraw/zinc/45/01/24/832450124.db2.gz KOEGIFGNRKZQES-UHFFFAOYSA-N 2 0 340.468 -0.327 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)COC1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001169530895 832467079 /nfs/dbraw/zinc/46/70/79/832467079.db2.gz ILDUIKFBTHWATB-CYBMUJFWSA-N 2 0 340.468 -0.140 20 0 EBADRP C[C@@H](CCCC[NH2+]CCNS(C)(=O)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169799919 832476357 /nfs/dbraw/zinc/47/63/57/832476357.db2.gz YDTCFRLYESGVGB-UONOGXRCSA-N 2 0 348.513 -0.106 20 0 EBADRP C[NH+]1CCC(NC(=O)c2ccc(NC[C@@H]3COCC[NH2+]3)nn2)CC1 ZINC001170043703 832488615 /nfs/dbraw/zinc/48/86/15/832488615.db2.gz XMNXPUFJAQELDJ-CYBMUJFWSA-N 2 0 334.424 -0.299 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001170222506 832493290 /nfs/dbraw/zinc/49/32/90/832493290.db2.gz LKEZYNAISMPUNK-CVEARBPZSA-N 2 0 345.484 -0.019 20 0 EBADRP C[NH+](C)CCOCC(=O)NC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001354861283 832527682 /nfs/dbraw/zinc/52/76/82/832527682.db2.gz NROBWCJTCBTTDR-HNNXBMFYSA-N 2 0 340.468 -0.375 20 0 EBADRP C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170863356 832530004 /nfs/dbraw/zinc/53/00/04/832530004.db2.gz VVESQXLFOHDKCK-JHJVBQTASA-N 2 0 341.456 -0.214 20 0 EBADRP COC[C@@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171205612 832550455 /nfs/dbraw/zinc/55/04/55/832550455.db2.gz UZLLGKVPHMBBEX-CABCVRRESA-N 2 0 349.472 -0.927 20 0 EBADRP CC(C)[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171205573 832550491 /nfs/dbraw/zinc/55/04/91/832550491.db2.gz TYQLZHKSSFGMRL-CQSZACIVSA-N 2 0 330.473 -0.179 20 0 EBADRP CCN(CC)C(=O)[C@@H](C)[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171216406 832551481 /nfs/dbraw/zinc/55/14/81/832551481.db2.gz IDAQSEDGHXSESB-CQSZACIVSA-N 2 0 330.473 -0.083 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+]CC(=O)Nc2cnccn2)C1 ZINC001171216834 832551639 /nfs/dbraw/zinc/55/16/39/832551639.db2.gz IYWSVHRXJXLCHO-CYBMUJFWSA-N 2 0 334.424 -0.147 20 0 EBADRP CC(C)NC(=O)NCC[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171293444 832554365 /nfs/dbraw/zinc/55/43/65/832554365.db2.gz JGIWEGLHFCVCPR-UHFFFAOYSA-N 2 0 325.457 -0.114 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001171293098 832554612 /nfs/dbraw/zinc/55/46/12/832554612.db2.gz FZGZRPZJTBTWTL-CQSZACIVSA-N 2 0 338.452 -0.575 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001171353778 832557623 /nfs/dbraw/zinc/55/76/23/832557623.db2.gz CHNYCHKYMNUUFX-LBPRGKRZSA-N 2 0 333.392 -0.338 20 0 EBADRP C[NH+](C)CCCCC(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001171579628 832565800 /nfs/dbraw/zinc/56/58/00/832565800.db2.gz ZHFQLSUTIYFTSL-HNNXBMFYSA-N 2 0 342.484 -0.203 20 0 EBADRP COCCCNC(=O)C[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171579250 832566091 /nfs/dbraw/zinc/56/60/91/832566091.db2.gz RQQLJIVWUNFSJU-UHFFFAOYSA-N 2 0 330.473 -0.033 20 0 EBADRP C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001171873668 832577551 /nfs/dbraw/zinc/57/75/51/832577551.db2.gz TULJWTVQJKBILL-XCCIUEIHSA-N 2 0 338.452 -0.401 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001175048008 832613543 /nfs/dbraw/zinc/61/35/43/832613543.db2.gz FJJICENKZPOJDC-GFCCVEGCSA-N 2 0 329.445 -0.342 20 0 EBADRP C[C@H](CCCC[NH2+][C@H](C)C(=O)NC(N)=O)NC(=O)CC[NH+](C)C ZINC001175056667 832613740 /nfs/dbraw/zinc/61/37/40/832613740.db2.gz MZZVWSBYLHJDPL-VXGBXAGGSA-N 2 0 329.445 -0.214 20 0 EBADRP C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175264269 832620149 /nfs/dbraw/zinc/62/01/49/832620149.db2.gz RNUWYVLAPOFSAE-STQMWFEESA-N 2 0 341.456 -0.212 20 0 EBADRP C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175257121 832620235 /nfs/dbraw/zinc/62/02/35/832620235.db2.gz VANSHZWSAXEZIX-CHWSQXEVSA-N 2 0 341.456 -0.070 20 0 EBADRP CN(C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C)C1(C[NH3+])CCOCC1 ZINC001356427218 832627972 /nfs/dbraw/zinc/62/79/72/832627972.db2.gz INCSVPBEGMCIOX-KGLIPLIRSA-N 2 0 340.468 -0.058 20 0 EBADRP CN(C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C)C1(C[NH3+])CCOCC1 ZINC001356427219 832628043 /nfs/dbraw/zinc/62/80/43/832628043.db2.gz INCSVPBEGMCIOX-UONOGXRCSA-N 2 0 340.468 -0.058 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)s1 ZINC001176049188 832654143 /nfs/dbraw/zinc/65/41/43/832654143.db2.gz KLEWQUSAVKWHBZ-LLVKDONJSA-N 2 0 340.453 -0.167 20 0 EBADRP Cn1ccc(N2CC[C@H]([NH2+]CCCNC(=O)[C@H]3CC[N@H+](C)C3)C2=O)n1 ZINC001176057528 832654241 /nfs/dbraw/zinc/65/42/41/832654241.db2.gz PRHZPITZGSBINY-KBPBESRZSA-N 2 0 348.451 -0.427 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176058147 832655151 /nfs/dbraw/zinc/65/51/51/832655151.db2.gz VLCXCLIVSGASCQ-ZDUSSCGKSA-N 2 0 334.486 -0.637 20 0 EBADRP O=C(C[NH+]1CCCC1)NCCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001176119276 832658977 /nfs/dbraw/zinc/65/89/77/832658977.db2.gz YVNCACRBGVOGQK-JKSUJKDBSA-N 2 0 343.468 -0.265 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@H]1CCCN(C)C1=O ZINC001176161426 832660233 /nfs/dbraw/zinc/66/02/33/832660233.db2.gz PRQLCCMHKOFLHB-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001176170489 832660935 /nfs/dbraw/zinc/66/09/35/832660935.db2.gz WOORQKFGPSXOPO-AWEZNQCLSA-N 2 0 340.468 -0.423 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@@H](C)c1nncn1C ZINC001176162544 832660943 /nfs/dbraw/zinc/66/09/43/832660943.db2.gz XCKVHXONMOSCPH-KGLIPLIRSA-N 2 0 338.456 -0.060 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)CCC[NH+]1CCCC1 ZINC001176884519 832700715 /nfs/dbraw/zinc/70/07/15/832700715.db2.gz LHIYJOPKSCDEEI-UHFFFAOYSA-N 2 0 348.513 -0.102 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001176972106 832722230 /nfs/dbraw/zinc/72/22/30/832722230.db2.gz OYKSMPNZVPETHU-AWEZNQCLSA-N 2 0 328.457 -0.594 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001176971806 832722457 /nfs/dbraw/zinc/72/24/57/832722457.db2.gz IORQPYJLVNPQCS-CQSZACIVSA-N 2 0 328.457 -0.282 20 0 EBADRP COC[C@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176971706 832722522 /nfs/dbraw/zinc/72/25/22/832722522.db2.gz FXOWFOLTGOMSQX-GJZGRUSLSA-N 2 0 333.473 -0.165 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001176975772 832723194 /nfs/dbraw/zinc/72/31/94/832723194.db2.gz YAZVWYZPTBBKHS-UHFFFAOYSA-N 2 0 327.429 -0.636 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176986493 832726209 /nfs/dbraw/zinc/72/62/09/832726209.db2.gz PTJVSJAVWJNMLI-AWEZNQCLSA-N 2 0 330.473 -0.036 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001176992768 832727631 /nfs/dbraw/zinc/72/76/31/832727631.db2.gz ZRDOPJLBAUQSKZ-RYUDHWBXSA-N 2 0 327.429 -0.460 20 0 EBADRP CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)[NH+]1CCCC1 ZINC001176999230 832730756 /nfs/dbraw/zinc/73/07/56/832730756.db2.gz RCXKRVVSZHACEC-CYBMUJFWSA-N 2 0 327.429 -0.602 20 0 EBADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)[NH+]1CCCCC1 ZINC001176996736 832730758 /nfs/dbraw/zinc/73/07/58/832730758.db2.gz AQSGTBDRMMNKCZ-AWEZNQCLSA-N 2 0 341.456 -0.212 20 0 EBADRP Cn1[nH]c(C[NH2+]CCCCCCNC(=O)[C@H]2CCC[N@@H+]2C)nc1=O ZINC001178045335 832817141 /nfs/dbraw/zinc/81/71/41/832817141.db2.gz ITZZNGAECLZKBA-CYBMUJFWSA-N 2 0 338.456 -0.031 20 0 EBADRP C[C@H]([NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)NC(N)=O ZINC001178045866 832817200 /nfs/dbraw/zinc/81/72/00/832817200.db2.gz XPENYZSRBCYSEE-STQMWFEESA-N 2 0 341.456 -0.070 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178356680 832852827 /nfs/dbraw/zinc/85/28/27/832852827.db2.gz PODJMIPBVQNJJZ-KKUMJFAQSA-N 2 0 340.468 -0.188 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001179303431 832968819 /nfs/dbraw/zinc/96/88/19/832968819.db2.gz BYICVCUVZANYGE-MROQNXINSA-N 2 0 339.440 -0.496 20 0 EBADRP C[C@H]([NH2+]CCCCCCNC(=O)CC[NH+](C)C)C(=O)NC(N)=O ZINC001179464067 832981328 /nfs/dbraw/zinc/98/13/28/832981328.db2.gz LKEZYLACHPQJND-LBPRGKRZSA-N 2 0 329.445 -0.212 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179472776 832981881 /nfs/dbraw/zinc/98/18/81/832981881.db2.gz XRAAYTQMMAIINP-AVGNSLFASA-N 2 0 341.456 -0.249 20 0 EBADRP COCCOC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179481445 832981980 /nfs/dbraw/zinc/98/19/80/832981980.db2.gz HJWPWXQNEFQINZ-ZNMIVQPWSA-N 2 0 331.457 -0.459 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)Nc2cnccn2)CCN1C(=O)CC[NH+](C)C ZINC001179472674 832982179 /nfs/dbraw/zinc/98/21/79/832982179.db2.gz RQLWJTIRNCYZOA-STQMWFEESA-N 2 0 334.424 -0.054 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001179546513 832987011 /nfs/dbraw/zinc/98/70/11/832987011.db2.gz SVXDRXKFJNITOD-RYUDHWBXSA-N 2 0 339.440 -0.508 20 0 EBADRP COCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001212458589 837691558 /nfs/dbraw/zinc/69/15/58/837691558.db2.gz KIACVZIYAIBDPD-HUUCEWRRSA-N 2 0 343.468 -0.193 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]CCCN2CCCC2=O)C1 ZINC001187106898 833901582 /nfs/dbraw/zinc/90/15/82/833901582.db2.gz QAUJGECXGFTJBE-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187106251 833901809 /nfs/dbraw/zinc/90/18/09/833901809.db2.gz CUKXDKGGKAEMBK-HUUCEWRRSA-N 2 0 342.484 -0.084 20 0 EBADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187121316 833902900 /nfs/dbraw/zinc/90/29/00/833902900.db2.gz HGZASBOKYGRUOM-CQSZACIVSA-N 2 0 337.468 -0.020 20 0 EBADRP O=C(N1CC[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001187126711 833903619 /nfs/dbraw/zinc/90/36/19/833903619.db2.gz LRPPAAIOLXGOQU-HUUCEWRRSA-N 2 0 333.436 -0.470 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001187298375 833917268 /nfs/dbraw/zinc/91/72/68/833917268.db2.gz FPIXTOWDQBLCLD-CQSZACIVSA-N 2 0 348.513 -0.200 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)COCCOC)C1 ZINC001187321931 833920107 /nfs/dbraw/zinc/92/01/07/833920107.db2.gz IQFQNGPABHTCPB-CABCVRRESA-N 2 0 331.457 -0.457 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187824946 833971474 /nfs/dbraw/zinc/97/14/74/833971474.db2.gz DAFKFGMYRMMNNV-ZIAGYGMSSA-N 2 0 326.441 -0.719 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001187851988 833974550 /nfs/dbraw/zinc/97/45/50/833974550.db2.gz YFWDYOYXTZEYAM-LSDHHAIUSA-N 2 0 329.441 -0.846 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001188106680 834004475 /nfs/dbraw/zinc/00/44/75/834004475.db2.gz QGSOOTSSIAQLIC-GFCCVEGCSA-N 2 0 325.413 -0.752 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001188139858 834013540 /nfs/dbraw/zinc/01/35/40/834013540.db2.gz STKHFAZXHZMJGZ-VXGBXAGGSA-N 2 0 325.413 -0.754 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188964212 834110507 /nfs/dbraw/zinc/11/05/07/834110507.db2.gz ZWAVGYIRIOIWCL-RRFJBIMHSA-N 2 0 325.453 -0.132 20 0 EBADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189054324 834119735 /nfs/dbraw/zinc/11/97/35/834119735.db2.gz CSFFOALIKZSLLN-HRCADAONSA-N 2 0 343.468 -0.505 20 0 EBADRP CC(=O)NCCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189389754 834149655 /nfs/dbraw/zinc/14/96/55/834149655.db2.gz LDTRFHLYHXTVIO-JKSUJKDBSA-N 2 0 340.468 -0.234 20 0 EBADRP CO[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374742 837759797 /nfs/dbraw/zinc/75/97/97/837759797.db2.gz VKLXSRLENWEVPO-RBSFLKMASA-N 2 0 339.440 -0.989 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192027910 834593866 /nfs/dbraw/zinc/59/38/66/834593866.db2.gz AUKYSMSZGDJQFU-VXGBXAGGSA-N 2 0 339.440 -0.556 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192029159 834594016 /nfs/dbraw/zinc/59/40/16/834594016.db2.gz INKPCWSDUKNINE-NWDGAFQWSA-N 2 0 327.429 -0.556 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192142034 834616848 /nfs/dbraw/zinc/61/68/48/834616848.db2.gz GPTXGQLYIVEEMP-AAEUAGOBSA-N 2 0 339.440 -0.556 20 0 EBADRP COC[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001193078393 834791496 /nfs/dbraw/zinc/79/14/96/834791496.db2.gz SFLKOICPONYWCR-GJZGRUSLSA-N 2 0 343.468 -0.363 20 0 EBADRP Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001193892573 834964208 /nfs/dbraw/zinc/96/42/08/834964208.db2.gz SRZCUXYBCMVQMR-DJIMGWMZSA-N 2 0 349.479 -0.002 20 0 EBADRP C[NH+]1CCN(c2cncc(C(=O)N(CC[NH3+])S(C)(=O)=O)c2)CC1 ZINC001193936942 834979995 /nfs/dbraw/zinc/97/99/95/834979995.db2.gz JRYSBHSRFQPJGD-UHFFFAOYSA-N 2 0 341.437 -0.806 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)[C@@H](C)C(=O)NC(N)=O)C1 ZINC001194294769 835075072 /nfs/dbraw/zinc/07/50/72/835075072.db2.gz MWDWVEWDJVSDAT-NWDGAFQWSA-N 2 0 327.429 -0.557 20 0 EBADRP COCCOC[C@H](O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001195267243 835207382 /nfs/dbraw/zinc/20/73/82/835207382.db2.gz HASUKTTYKHXECS-HZPDHXFCSA-N 2 0 343.468 -0.361 20 0 EBADRP CC(=O)NCCOCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001195268268 835207746 /nfs/dbraw/zinc/20/77/46/835207746.db2.gz RJGFCFYYUTYYLT-INIZCTEOSA-N 2 0 340.468 -0.232 20 0 EBADRP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195872033 835304396 /nfs/dbraw/zinc/30/43/96/835304396.db2.gz XEXRTLRPSDFOAU-RBSFLKMASA-N 2 0 331.457 -0.867 20 0 EBADRP COC[C@@H](C)OC[C@H](O)C[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197044967 835498180 /nfs/dbraw/zinc/49/81/80/835498180.db2.gz XSUXPSHZGDWWPI-HZPDHXFCSA-N 2 0 345.484 -0.115 20 0 EBADRP COC[C@H](C)OC[C@H](O)C[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197044968 835498212 /nfs/dbraw/zinc/49/82/12/835498212.db2.gz XSUXPSHZGDWWPI-JKSUJKDBSA-N 2 0 345.484 -0.115 20 0 EBADRP COC[C@@H](C)OC[C@@H](O)C[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197044961 835498296 /nfs/dbraw/zinc/49/82/96/835498296.db2.gz XSUXPSHZGDWWPI-CVEARBPZSA-N 2 0 345.484 -0.115 20 0 EBADRP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197320040 835536619 /nfs/dbraw/zinc/53/66/19/835536619.db2.gz TZMNKNLVOBXXTA-HZPDHXFCSA-N 2 0 343.468 -0.317 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCC(C)C)C[C@H]1O ZINC001197493364 835564840 /nfs/dbraw/zinc/56/48/40/835564840.db2.gz KCFVFPIKCWUBSQ-BZUAXINKSA-N 2 0 345.484 -0.477 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC[N@H+](C[C@@H](O)COCCOC)CC1 ZINC001197511047 835568212 /nfs/dbraw/zinc/56/82/12/835568212.db2.gz FWSORIOTNUBKNE-MRXNPFEDSA-N 2 0 345.484 -0.114 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@H]1O ZINC001197782954 835607321 /nfs/dbraw/zinc/60/73/21/835607321.db2.gz LJWZEMHUXHENBF-RRFJBIMHSA-N 2 0 329.441 -0.848 20 0 EBADRP CO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1)C1CCC1 ZINC001197826394 835613700 /nfs/dbraw/zinc/61/37/00/835613700.db2.gz VDGXAQBNAKMWGY-OAGGEKHMSA-N 2 0 343.468 -0.459 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O ZINC001197826349 835613803 /nfs/dbraw/zinc/61/38/03/835613803.db2.gz SYQBMBOVFXLXAG-HZPDHXFCSA-N 2 0 343.468 -0.457 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1O ZINC001198699338 835710674 /nfs/dbraw/zinc/71/06/74/835710674.db2.gz NIHLPSAZLWWJGA-FVQBIDKESA-N 2 0 325.453 -0.084 20 0 EBADRP CC(=O)NCCOCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001199788426 835861762 /nfs/dbraw/zinc/86/17/62/835861762.db2.gz PWLGOYHANDVODS-MRXNPFEDSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(=O)NC(N)=O ZINC001199827010 835866808 /nfs/dbraw/zinc/86/68/08/835866808.db2.gz QTIPLMWWSILBJP-JQWIXIFHSA-N 2 0 325.413 -0.755 20 0 EBADRP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200121913 835913192 /nfs/dbraw/zinc/91/31/92/835913192.db2.gz AABITWJMIBXOJJ-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200480240 835973389 /nfs/dbraw/zinc/97/33/89/835973389.db2.gz YLVCLUDBLYEIOY-CABCVRRESA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C(=O)NC(N)=O ZINC001200644842 836005119 /nfs/dbraw/zinc/00/51/19/836005119.db2.gz RVGFBPJAWLENDO-DMDPSCGWSA-N 2 0 339.440 -0.509 20 0 EBADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CCCO1 ZINC001200688067 836014443 /nfs/dbraw/zinc/01/44/43/836014443.db2.gz KCTOECWZXRDLLV-ZBFHGGJFSA-N 2 0 340.468 -0.330 20 0 EBADRP 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ZINC001201128271 836099069 /nfs/dbraw/zinc/09/90/69/836099069.db2.gz GQMFFBWGPGZZNM-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[C@H](C(=O)N1CCC([NH2+]CCNS(=O)(=O)CC)CC1)[NH+](C)C ZINC001201239844 836115606 /nfs/dbraw/zinc/11/56/06/836115606.db2.gz NZRLMFPDIXNBHW-CQSZACIVSA-N 2 0 348.513 -0.154 20 0 EBADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1)C(=O)NC(N)=O ZINC001201267972 836120046 /nfs/dbraw/zinc/12/00/46/836120046.db2.gz UMRKPBFNHVEBGG-DGCLKSJQSA-N 2 0 339.440 -0.365 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001201276644 836121914 /nfs/dbraw/zinc/12/19/14/836121914.db2.gz ISGHLPKHFIOMQO-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201276715 836122056 /nfs/dbraw/zinc/12/20/56/836122056.db2.gz KHXSMVHWNSJIMN-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP C[NH+](C)CCC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001201336587 836130639 /nfs/dbraw/zinc/13/06/39/836130639.db2.gz 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328.457 -0.330 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001201931197 836218942 /nfs/dbraw/zinc/21/89/42/836218942.db2.gz JANWWQZQMDWPGX-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CCn3cncn3)C2)C1 ZINC001202058281 836244702 /nfs/dbraw/zinc/24/47/02/836244702.db2.gz JPOMJLNMJHJDQF-GJZGRUSLSA-N 2 0 336.440 -0.563 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCn3cncn3)C2)C1 ZINC001202058284 836245298 /nfs/dbraw/zinc/24/52/98/836245298.db2.gz JPOMJLNMJHJDQF-LSDHHAIUSA-N 2 0 336.440 -0.563 20 0 EBADRP CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCCO1)C(N)=O ZINC001202165494 836266193 /nfs/dbraw/zinc/26/61/93/836266193.db2.gz RKVGNPGFIUGOGC-ZIAGYGMSSA-N 2 0 328.457 -0.202 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001202163620 836266614 /nfs/dbraw/zinc/26/66/14/836266614.db2.gz HQOPYOJPIROXKO-LSDHHAIUSA-N 2 0 340.468 -0.236 20 0 EBADRP CC[C@H]([NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCCO1)C(N)=O ZINC001202165491 836267014 /nfs/dbraw/zinc/26/70/14/836267014.db2.gz RKVGNPGFIUGOGC-KGLIPLIRSA-N 2 0 328.457 -0.202 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001202166851 836268358 /nfs/dbraw/zinc/26/83/58/836268358.db2.gz ZDSJQVRCOOKFGH-OAHLLOKOSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC([NH2+]CCS(C)(=O)=O)CC2)C1 ZINC001202496763 836307805 /nfs/dbraw/zinc/30/78/05/836307805.db2.gz XQFRNRBELCFRFV-ZDUSSCGKSA-N 2 0 331.482 -0.047 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1 ZINC001202504955 836309270 /nfs/dbraw/zinc/30/92/70/836309270.db2.gz XGIMZYNBGFLSGC-TZMCWYRMSA-N 2 0 346.497 -0.686 20 0 EBADRP CC[C@@H](C(=O)N1CCC([NH2+]CC(=O)NC(=O)NC)CC1)[NH+](C)C ZINC001202531870 836311571 /nfs/dbraw/zinc/31/15/71/836311571.db2.gz PHXBNVOACPSQCN-LBPRGKRZSA-N 2 0 327.429 -0.637 20 0 EBADRP CC[C@@H](C(=O)N1CCC([NH2+][C@@H](C)C(=O)NC(=O)NC)CC1)[NH+](C)C 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348.513 -0.152 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001203431665 836430745 /nfs/dbraw/zinc/43/07/45/836430745.db2.gz PDJHBFPPTBBDQW-UHFFFAOYSA-N 2 0 338.456 -0.079 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1 ZINC001203443072 836432223 /nfs/dbraw/zinc/43/22/23/836432223.db2.gz PXHRDWUBRNGBSN-UHFFFAOYSA-N 2 0 348.513 -0.152 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203579372 836450620 /nfs/dbraw/zinc/45/06/20/836450620.db2.gz ZJUIMTDDMXZASB-VXGBXAGGSA-N 2 0 339.440 -0.460 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]CCCS(C)(=O)=O)CC2)C1 ZINC001203699501 836463273 /nfs/dbraw/zinc/46/32/73/836463273.db2.gz NHMWZNQOJZHOMZ-CYBMUJFWSA-N 2 0 331.482 -0.047 20 0 EBADRP CNC(=O)C[NH2+]C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001203709698 836465442 /nfs/dbraw/zinc/46/54/42/836465442.db2.gz WVFDOOBBZFEBHI-ZDUSSCGKSA-N 2 0 326.441 -0.719 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001203924875 836488859 /nfs/dbraw/zinc/48/88/59/836488859.db2.gz GROPTYXBCOGVHO-UHFFFAOYSA-N 2 0 327.429 -0.637 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC([NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001203933238 836488879 /nfs/dbraw/zinc/48/88/79/836488879.db2.gz WIDUMBVZCOUBNE-NSHDSACASA-N 2 0 327.429 -0.509 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCNS(C)(=O)=O)CC1 ZINC001204798932 836529833 /nfs/dbraw/zinc/52/98/33/836529833.db2.gz OWFMGBIBGBXQLZ-CQSZACIVSA-N 2 0 346.497 -0.542 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCC(C[NH2+]CCNS(C)(=O)=O)CC1 ZINC001206075125 836621079 /nfs/dbraw/zinc/62/10/79/836621079.db2.gz ZUBDQUCFTGAVDM-UHFFFAOYSA-N 2 0 348.513 -0.294 20 0 EBADRP CCOCCNC(=O)C[NH2+]CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001206145767 836625863 /nfs/dbraw/zinc/62/58/63/836625863.db2.gz FPBMTBHLNJYOQK-UHFFFAOYSA-N 2 0 342.484 -0.081 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC(C[NH2+]CC(=O)N2CCOCC2)CC1 ZINC001206146285 836626534 /nfs/dbraw/zinc/62/65/34/836626534.db2.gz JMXQJZKXWWXXKX-UHFFFAOYSA-N 2 0 340.468 -0.375 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC(C[NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001206794824 836678900 /nfs/dbraw/zinc/67/89/00/836678900.db2.gz UZIZMSFRWVWPIF-UHFFFAOYSA-N 2 0 338.456 -0.222 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC(C[NH2+]CC(=O)NC(=O)NC)CC1 ZINC001206794535 836679017 /nfs/dbraw/zinc/67/90/17/836679017.db2.gz OBXRCVSQPARTOC-UHFFFAOYSA-N 2 0 341.456 -0.388 20 0 EBADRP CCNC(=O)C[NH2+]CC1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001206873743 836685650 /nfs/dbraw/zinc/68/56/50/836685650.db2.gz MAYYZCMENFQUBP-UHFFFAOYSA-N 2 0 328.457 -0.471 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC(C[NH2+]CCS(C)(=O)=O)CC1 ZINC001206873905 836685864 /nfs/dbraw/zinc/68/58/64/836685864.db2.gz VMKGEIQCMSSWIR-UHFFFAOYSA-N 2 0 349.497 -0.563 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC(C[NH2+]CC(=O)N2CCC2)CC1 ZINC001206873721 836686213 /nfs/dbraw/zinc/68/62/13/836686213.db2.gz LCHVSYVAJLGROE-UHFFFAOYSA-N 2 0 340.468 -0.375 20 0 EBADRP COC[C@H](O)C[NH2+]CC1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001206873822 836686316 /nfs/dbraw/zinc/68/63/16/836686316.db2.gz QTKLKKYESRYXAY-OAHLLOKOSA-N 2 0 331.457 -0.600 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]CCN3CCNC3=O)CC2)C1 ZINC001206929219 836715235 /nfs/dbraw/zinc/71/52/35/836715235.db2.gz ZSPYWCBMRNPILW-HNNXBMFYSA-N 2 0 337.468 -0.209 20 0 EBADRP CNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001206930089 836715284 /nfs/dbraw/zinc/71/52/84/836715284.db2.gz RSBMFVLBLVOKPK-AWEZNQCLSA-N 2 0 340.468 -0.471 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001206930003 836715978 /nfs/dbraw/zinc/71/59/78/836715978.db2.gz NJQDTIHTDHVMKV-ZDUSSCGKSA-N 2 0 326.441 -0.732 20 0 EBADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207550902 836816958 /nfs/dbraw/zinc/81/69/58/836816958.db2.gz NFCYPDUBBWOGMK-YUELXQCFSA-N 2 0 337.468 -0.212 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001207683642 836843500 /nfs/dbraw/zinc/84/35/00/836843500.db2.gz FVFXVIDJCKBAFC-KGLIPLIRSA-N 2 0 346.497 -0.400 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001207688734 836846010 /nfs/dbraw/zinc/84/60/10/836846010.db2.gz RYQYGSPCZAEFIQ-NEPJUHHUSA-N 2 0 325.413 -0.883 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001208070481 836941359 /nfs/dbraw/zinc/94/13/59/836941359.db2.gz NDHOWEVKZYZASU-IJLUTSLNSA-N 2 0 325.413 -0.898 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001208334510 836999384 /nfs/dbraw/zinc/99/93/84/836999384.db2.gz JFSRDDLUPWABJL-GXTWGEPZSA-N 2 0 339.440 -0.637 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001208422789 837029942 /nfs/dbraw/zinc/02/99/42/837029942.db2.gz AYKBHWWIZVXTLP-KGLIPLIRSA-N 2 0 346.497 -0.400 20 0 EBADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208447283 837041942 /nfs/dbraw/zinc/04/19/42/837041942.db2.gz BFOZOFORYIHWAV-BZUAXINKSA-N 2 0 345.484 -0.211 20 0 EBADRP C[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496067 837067196 /nfs/dbraw/zinc/06/71/96/837067196.db2.gz IYNLADKLHXKXIB-CHWSQXEVSA-N 2 0 339.440 -0.684 20 0 EBADRP C[C@@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208496469 837067239 /nfs/dbraw/zinc/06/72/39/837067239.db2.gz USYNKVITDHBKMN-ZIAGYGMSSA-N 2 0 348.513 -0.344 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209323806 837155769 /nfs/dbraw/zinc/15/57/69/837155769.db2.gz MLYMEGLGPXHOHP-ZDUSSCGKSA-N 2 0 341.456 -0.246 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CC1 ZINC001209408329 837165014 /nfs/dbraw/zinc/16/50/14/837165014.db2.gz LFKBKOUQKMQSQP-CQSZACIVSA-N 2 0 346.497 -0.542 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209455233 837167297 /nfs/dbraw/zinc/16/72/97/837167297.db2.gz RXYNOADFYVVCKY-AWEZNQCLSA-N 2 0 348.513 -0.200 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+][C@H]2CCCN(C(=O)CC[NH+](C)C)C2)CCO1 ZINC001209456216 837169405 /nfs/dbraw/zinc/16/94/05/837169405.db2.gz YEXYOZLXEVDVOU-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](O)COCCOC)C[C@H]1C ZINC001209634538 837184080 /nfs/dbraw/zinc/18/40/80/837184080.db2.gz FSALYPBRZFFWFF-BZUAXINKSA-N 2 0 345.484 -0.211 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001209632920 837184162 /nfs/dbraw/zinc/18/41/62/837184162.db2.gz PBLGPNNASBFCGS-NEPJUHHUSA-N 2 0 325.413 -0.754 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COCCOC)C[C@H]1C ZINC001210040175 837228182 /nfs/dbraw/zinc/22/81/82/837228182.db2.gz CBMMJYXOLWCZMK-OWCLPIDISA-N 2 0 345.484 -0.211 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001210493016 837289467 /nfs/dbraw/zinc/28/94/67/837289467.db2.gz HOYIWTSGBYEJIT-OLZOCXBDSA-N 2 0 341.456 -0.247 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001210674154 837315023 /nfs/dbraw/zinc/31/50/23/837315023.db2.gz OCXSGOACYITEFF-NWDGAFQWSA-N 2 0 325.413 -0.896 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001210676116 837318275 /nfs/dbraw/zinc/31/82/75/837318275.db2.gz CMWABCXMQUZQQJ-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1)C(=O)N(C)C ZINC001210685800 837320525 /nfs/dbraw/zinc/32/05/25/837320525.db2.gz ZTUUFBNLJKJLRX-UONOGXRCSA-N 2 0 328.457 -0.378 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001210742213 837327368 /nfs/dbraw/zinc/32/73/68/837327368.db2.gz BTJPZCHNWIGYIT-CHWSQXEVSA-N 2 0 341.456 -0.118 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001210743780 837327971 /nfs/dbraw/zinc/32/79/71/837327971.db2.gz LCJRHETZJWECDB-GFCCVEGCSA-N 2 0 327.429 -0.506 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211064065 837376302 /nfs/dbraw/zinc/37/63/02/837376302.db2.gz HRIKBNAYTCSUNE-JKSUJKDBSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211080820 837380224 /nfs/dbraw/zinc/38/02/24/837380224.db2.gz FTWOXSJVECEDHT-INIZCTEOSA-N 2 0 340.468 -0.185 20 0 EBADRP COCCOC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211081162 837380252 /nfs/dbraw/zinc/38/02/52/837380252.db2.gz IYPLNLBHSRDHSV-HOTGVXAUSA-N 2 0 343.468 -0.313 20 0 EBADRP COCCOC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211081163 837380291 /nfs/dbraw/zinc/38/02/91/837380291.db2.gz IYPLNLBHSRDHSV-HZPDHXFCSA-N 2 0 343.468 -0.313 20 0 EBADRP COCCOCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001213725581 837850515 /nfs/dbraw/zinc/85/05/15/837850515.db2.gz CYJIUVHHUSYTKI-HUUCEWRRSA-N 2 0 341.452 -0.439 20 0 EBADRP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001213719336 837852683 /nfs/dbraw/zinc/85/26/83/837852683.db2.gz YCXHLKOMAINBIB-RBSFLKMASA-N 2 0 329.441 -0.848 20 0 EBADRP CO[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730008 837853831 /nfs/dbraw/zinc/85/38/31/837853831.db2.gz BGOPFHDHLUGIMH-ARFHVFGLSA-N 2 0 343.468 -0.051 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1C[NH2+]CCN1CCNC1=O ZINC001319070066 838067348 /nfs/dbraw/zinc/06/73/48/838067348.db2.gz XNJWXRLICVRZFC-CVEARBPZSA-N 2 0 349.479 -0.066 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2C[NH2+]CCS(C)(=O)=O)C1 ZINC001319124845 838076292 /nfs/dbraw/zinc/07/62/92/838076292.db2.gz VKTLWKWDWIUNCE-UONOGXRCSA-N 2 0 331.482 -0.047 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCNS(C)(=O)=O)C1 ZINC001319130544 838077557 /nfs/dbraw/zinc/07/75/57/838077557.db2.gz ZAVJAMNNNARZCY-QWHCGFSZSA-N 2 0 332.470 -0.932 20 0 EBADRP C[NH+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001319774176 838176828 /nfs/dbraw/zinc/17/68/28/838176828.db2.gz HVDUDADKSULROK-LBPRGKRZSA-N 2 0 327.429 -0.506 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001319791637 838179190 /nfs/dbraw/zinc/17/91/90/838179190.db2.gz NKPWICURKPBLNV-STQMWFEESA-N 2 0 339.440 -0.506 20 0 EBADRP Cn1cc(CC[NH2+]C[C@H](O)CNC(=O)[C@@]23CC[N@H+](C2)CCC3)cn1 ZINC001320300045 838751089 /nfs/dbraw/zinc/75/10/89/838751089.db2.gz QFFSMOYCHLBKDU-RDJZCZTQSA-N 2 0 335.452 -0.485 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CCOCC(F)(F)F)C1 ZINC001320313046 838755314 /nfs/dbraw/zinc/75/53/14/838755314.db2.gz KXKZDKVORVIXGN-GHMZBOCLSA-N 2 0 327.347 -0.416 20 0 EBADRP C[C@@H](CC[NH2+]CCNS(C)(=O)=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001320530362 838785717 /nfs/dbraw/zinc/78/57/17/838785717.db2.gz TXSWOZFHVCYXCJ-IHRRRGAJSA-N 2 0 348.513 -0.250 20 0 EBADRP C[C@H](CC[NH2+]CC(=O)N1CCO[C@@H](C)C1)NC(=O)CC[NH+](C)C ZINC001320543142 838787992 /nfs/dbraw/zinc/78/79/92/838787992.db2.gz LZEJGCSVNFCHNZ-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP CCN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001320891668 838856331 /nfs/dbraw/zinc/85/63/31/838856331.db2.gz PCOORTZNVPRBDC-ZDUSSCGKSA-N 2 0 339.440 -0.682 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001320999974 838879920 /nfs/dbraw/zinc/87/99/20/838879920.db2.gz XAVYMTSKEIQFGU-XMXMHJJKSA-N 2 0 325.413 -0.813 20 0 EBADRP CC(C)(C(=O)NC/C=C\C[NH2+]CC(=O)NC(N)=O)[NH+]1CCCCC1 ZINC001321056621 838893680 /nfs/dbraw/zinc/89/36/80/838893680.db2.gz HXURUCLGRMHDPU-PLNGDYQASA-N 2 0 339.440 -0.292 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C/C=C\CNC(=O)C1([NH+](C)C)CCC1 ZINC001321093892 838905962 /nfs/dbraw/zinc/90/59/62/838905962.db2.gz ZJEKZVYHZMLQLI-PLNGDYQASA-N 2 0 325.413 -0.812 20 0 EBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC001321510059 839007460 /nfs/dbraw/zinc/00/74/60/839007460.db2.gz UPGDUCPGRLJDSD-CJNGLKHVSA-N 2 0 342.509 -0.050 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCC1CCOCC1 ZINC001322137439 839143161 /nfs/dbraw/zinc/14/31/61/839143161.db2.gz PCFGKTGPEBSRFD-UHFFFAOYSA-N 2 0 342.484 -0.129 20 0 EBADRP C[C@@H](C[N@H+](C)CCN1C(=O)CCC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001322280730 839166158 /nfs/dbraw/zinc/16/61/58/839166158.db2.gz JTWKEDIHPSEYQO-ZDUSSCGKSA-N 2 0 336.436 -0.332 20 0 EBADRP CN(CCC[NH2+]CC(=O)NC(N)=O)C(=O)CC1CC[NH+](C)CC1 ZINC001322723548 839243720 /nfs/dbraw/zinc/24/37/20/839243720.db2.gz LQXUKPMWTNRCHQ-UHFFFAOYSA-N 2 0 327.429 -0.649 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCNS(C)(=O)=O)C1CC1 ZINC001323046407 839334207 /nfs/dbraw/zinc/33/42/07/839334207.db2.gz DUEODOFRPWOXSM-QWHCGFSZSA-N 2 0 332.470 -0.886 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C2CC2)CC1 ZINC001323063462 839340486 /nfs/dbraw/zinc/34/04/86/839340486.db2.gz FCRTYVCLYQQHSF-KGLIPLIRSA-N 2 0 336.436 -0.382 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001323399900 839432332 /nfs/dbraw/zinc/43/23/32/839432332.db2.gz LAPFQHMPRFPRFB-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1COC(C)(C)O1 ZINC001323542352 839468213 /nfs/dbraw/zinc/46/82/13/839468213.db2.gz OKSUVNUGLBPBMG-CYBMUJFWSA-N 2 0 344.456 -0.794 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)CCO1 ZINC001325347308 839852390 /nfs/dbraw/zinc/85/23/90/839852390.db2.gz YJMXRQZBYXWCAM-FQUUOJAGSA-N 2 0 326.441 -0.450 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CCNS(C)(=O)=O ZINC001325561862 839890364 /nfs/dbraw/zinc/89/03/64/839890364.db2.gz PJCMLUYPPXGYJX-OLZOCXBDSA-N 2 0 334.486 -0.829 20 0 EBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001325561865 839890683 /nfs/dbraw/zinc/89/06/83/839890683.db2.gz PJCMLUYPPXGYJX-QWHCGFSZSA-N 2 0 334.486 -0.829 20 0 EBADRP C[N@H+](CC(=O)N1CC[C@H](CC[NH2+]CC(=O)NC(N)=O)C1)C1CCC1 ZINC001326290189 840081726 /nfs/dbraw/zinc/08/17/26/840081726.db2.gz UNSYQXVSZMESBF-LBPRGKRZSA-N 2 0 339.440 -0.506 20 0 EBADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001326597916 840144954 /nfs/dbraw/zinc/14/49/54/840144954.db2.gz CVTCRYZVYLZYMW-ZWKOTPCHSA-N 3 0 341.544 -0.542 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)cn1 ZINC001326847820 840218079 /nfs/dbraw/zinc/21/80/79/840218079.db2.gz UYGWVZCZTNRLNK-SECBINFHSA-N 2 0 336.318 -0.611 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCC[C@](CO)([NH2+]CCOCCO)C1 ZINC001327607408 840473247 /nfs/dbraw/zinc/47/32/47/840473247.db2.gz OELOFHGTLMNSEZ-INIZCTEOSA-N 2 0 329.441 -0.966 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2COC[C@]2(C)C1 ZINC001327669899 840489496 /nfs/dbraw/zinc/48/94/96/840489496.db2.gz AIBDQFYAHOZPNI-YOEHRIQHSA-N 2 0 340.468 -0.567 20 0 EBADRP Cc1c(C(=O)NCCCN2CC[NH2+]CC2)nnn1C1CC[NH2+]CC1 ZINC001328206163 840619930 /nfs/dbraw/zinc/61/99/30/840619930.db2.gz VNFDWYYKGXNZNE-UHFFFAOYSA-N 2 0 335.456 -0.464 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001328400997 840671141 /nfs/dbraw/zinc/67/11/41/840671141.db2.gz PXBXORSJMHMZGX-IAGOWNOFSA-N 3 0 328.501 -0.579 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001328452777 840679997 /nfs/dbraw/zinc/67/99/97/840679997.db2.gz ZPESWZOOEVGLAC-MJBXVCDLSA-N 2 0 340.468 -0.155 20 0 EBADRP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001329057208 840828976 /nfs/dbraw/zinc/82/89/76/840828976.db2.gz POFDDDKUHAJUQL-NWDGAFQWSA-N 2 0 339.440 -0.495 20 0 EBADRP CC[NH+](CC)C1CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC001329116279 840846529 /nfs/dbraw/zinc/84/65/29/840846529.db2.gz RKGJEHGZJQRNAH-UHFFFAOYSA-N 2 0 328.457 -0.199 20 0 EBADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001329170271 840862911 /nfs/dbraw/zinc/86/29/11/840862911.db2.gz IMTBAGHTNLPAFL-NWDGAFQWSA-N 2 0 332.470 -0.886 20 0 EBADRP CC[NH+](CC)C1CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC001329469489 840931468 /nfs/dbraw/zinc/93/14/68/840931468.db2.gz LHTMIHNOEBSZCP-UHFFFAOYSA-N 2 0 340.468 -0.057 20 0 EBADRP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001330528191 841229123 /nfs/dbraw/zinc/22/91/23/841229123.db2.gz KEBPEBZGAMSRAA-UKRRQHHQSA-N 2 0 338.452 -0.528 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001331104146 841336466 /nfs/dbraw/zinc/33/64/66/841336466.db2.gz QBSAKQGWUFQEOV-GXTWGEPZSA-N 2 0 326.441 -0.401 20 0 EBADRP CN(CCOCCNC(=O)[C@H]1CCCC[N@@H+]1C)CC(=O)N1CCC1 ZINC001331131275 841345285 /nfs/dbraw/zinc/34/52/85/841345285.db2.gz FHCZOPLWRCJKPU-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001331314942 841390209 /nfs/dbraw/zinc/39/02/09/841390209.db2.gz MHVBPHASDBRWTN-KGLIPLIRSA-N 2 0 326.441 -0.767 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001331314941 841390606 /nfs/dbraw/zinc/39/06/06/841390606.db2.gz MHVBPHASDBRWTN-KBPBESRZSA-N 2 0 326.441 -0.767 20 0 EBADRP C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCN1C(=O)CNC1=O ZINC001331489487 841415547 /nfs/dbraw/zinc/41/55/47/841415547.db2.gz LROULOHDBNGNQA-STQMWFEESA-N 2 0 339.440 -0.541 20 0 EBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC001331618933 841441119 /nfs/dbraw/zinc/44/11/19/841441119.db2.gz YKBMAQXBRPKLPQ-KGLIPLIRSA-N 2 0 326.441 -0.399 20 0 EBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001331670009 841455297 /nfs/dbraw/zinc/45/52/97/841455297.db2.gz SQVWZIGZAQLJKM-MELADBBJSA-N 2 0 338.452 -0.448 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCOCC(F)(F)F ZINC001331687008 841460020 /nfs/dbraw/zinc/46/00/20/841460020.db2.gz YGLPRGXXDLLJLC-QWRGUYRKSA-N 2 0 327.347 -0.274 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001331850786 841519723 /nfs/dbraw/zinc/51/97/23/841519723.db2.gz AHDMXKYYHVUOPS-OAHLLOKOSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC001331957233 841538542 /nfs/dbraw/zinc/53/85/42/841538542.db2.gz JZUKEJWRUACQJL-AWEZNQCLSA-N 2 0 339.484 -0.674 20 0 EBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001332303177 841610610 /nfs/dbraw/zinc/61/06/10/841610610.db2.gz DUFIJWJGOPDUDE-HNNXBMFYSA-N 2 0 339.484 -0.676 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCO1 ZINC001332331024 841617808 /nfs/dbraw/zinc/61/78/08/841617808.db2.gz GSWJGINUEJFDPM-IHRRRGAJSA-N 2 0 326.441 -0.591 20 0 EBADRP CC(C)[C@@H](CNC(=O)C(=O)NCC[C@H](C)[NH3+])N1CC[NH+](C)CC1 ZINC001333180188 841815425 /nfs/dbraw/zinc/81/54/25/841815425.db2.gz YUEIZQDQPMKECG-UONOGXRCSA-N 2 0 327.473 -0.772 20 0 EBADRP CN(CCOCC[NH2+][C@@H]1CCCN(C)C1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001333266200 841838185 /nfs/dbraw/zinc/83/81/85/841838185.db2.gz DDWJDYRYQQXRJZ-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP O=C(N[C@H]1CC[NH2+]C1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC001333534856 841900844 /nfs/dbraw/zinc/90/08/44/841900844.db2.gz IIATYKIZXVSRNL-HNNXBMFYSA-N 2 0 331.420 -0.360 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001333626575 841918143 /nfs/dbraw/zinc/91/81/43/841918143.db2.gz SEKQMHCRRVUAKA-STQMWFEESA-N 2 0 325.457 -0.875 20 0 EBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001333731559 841935335 /nfs/dbraw/zinc/93/53/35/841935335.db2.gz CYSMEIHDVIMKHJ-HOTGVXAUSA-N 2 0 341.500 -0.822 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](C(F)(F)F)[C@H]([NH3+])C3)C[C@@H]21 ZINC001334826764 842137335 /nfs/dbraw/zinc/13/73/35/842137335.db2.gz IMWZDYHALVMSDT-KXNHARMFSA-N 2 0 348.369 -0.113 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](C(F)(F)F)[C@@H]([NH3+])C3)C[C@@H]21 ZINC001334826766 842137608 /nfs/dbraw/zinc/13/76/08/842137608.db2.gz IMWZDYHALVMSDT-RHYQMDGZSA-N 2 0 348.369 -0.113 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](C(F)(F)F)[C@H]([NH3+])C3)C[C@@H]21 ZINC001334826760 842137810 /nfs/dbraw/zinc/13/78/10/842137810.db2.gz IMWZDYHALVMSDT-KKOKHZNYSA-N 2 0 348.369 -0.113 20 0 EBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001335233726 842235613 /nfs/dbraw/zinc/23/56/13/842235613.db2.gz HBGSHFKMLWUCRF-RDBSUJKOSA-N 2 0 326.441 -0.842 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001335301537 842255308 /nfs/dbraw/zinc/25/53/08/842255308.db2.gz INOOZELOIZBPNJ-ZIAGYGMSSA-N 2 0 326.441 -0.767 20 0 EBADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCNCC[NH2+]CC1 ZINC001335414538 842276025 /nfs/dbraw/zinc/27/60/25/842276025.db2.gz YEALPGFODLVRTF-UHFFFAOYSA-N 2 0 339.484 -0.164 20 0 EBADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@H]2COC)CC1 ZINC001335751695 842350416 /nfs/dbraw/zinc/35/04/16/842350416.db2.gz PPXYWCVTRDIYRE-AWEZNQCLSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)C(=O)NCCOCCC[NH3+])C[C@@H]2C1 ZINC001335793785 842355822 /nfs/dbraw/zinc/35/58/22/842355822.db2.gz CLCQUPFLEFJJSM-SOUVJXGZSA-N 2 0 340.468 -0.343 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnc2ccnn2c1 ZINC001336692915 842537080 /nfs/dbraw/zinc/53/70/80/842537080.db2.gz MMDWVZCOXZVWET-UHFFFAOYSA-N 2 0 347.423 -0.380 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001336963768 842565858 /nfs/dbraw/zinc/56/58/58/842565858.db2.gz CGUNEQRXLBSJCC-ZDUSSCGKSA-N 2 0 348.451 -0.697 20 0 EBADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001337531674 842628822 /nfs/dbraw/zinc/62/88/22/842628822.db2.gz OKNULYUFJJNJIS-IHRRRGAJSA-N 2 0 331.420 -0.028 20 0 EBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NCC[N@H+](C)CCCOC ZINC001338279394 842775855 /nfs/dbraw/zinc/77/58/55/842775855.db2.gz IUCBPKBXXNGOGG-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC001338354985 842787150 /nfs/dbraw/zinc/78/71/50/842787150.db2.gz LGQMIDPAPXZRKS-SHTZXODSSA-N 2 0 338.452 -0.589 20 0 EBADRP O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12)NCCC[NH+]1CCCC1 ZINC001340148981 842976097 /nfs/dbraw/zinc/97/60/97/842976097.db2.gz AMLDACANKLTPFD-HZSPNIEDSA-N 2 0 329.466 -0.389 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001340206395 842981552 /nfs/dbraw/zinc/98/15/52/842981552.db2.gz RWNVUTPNDOSJLG-YOEHRIQHSA-N 2 0 340.468 -0.450 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001340955778 843046934 /nfs/dbraw/zinc/04/69/34/843046934.db2.gz DDZMVYDPBBEFSX-LSDHHAIUSA-N 2 0 340.468 -0.247 20 0 EBADRP COCCOCC[N@H+](C)CCC(=O)N1NC(=O)CC12CC[NH2+]CC2 ZINC001341153288 843059415 /nfs/dbraw/zinc/05/94/15/843059415.db2.gz BGRZDSHAQLLTKY-UHFFFAOYSA-N 2 0 342.440 -0.643 20 0 EBADRP CN(CCCCO)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001342137416 843143055 /nfs/dbraw/zinc/14/30/55/843143055.db2.gz YAFWMDAXTMINHU-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP O=C(C[C@H]1CCC[NH2+]1)NCC[NH2+]CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC001343280085 843216260 /nfs/dbraw/zinc/21/62/60/843216260.db2.gz DPXKZFSDEYGVIX-ZIAGYGMSSA-N 3 0 325.457 -0.907 20 0 EBADRP COCC[NH+]1CCC(NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001343395917 843233506 /nfs/dbraw/zinc/23/35/06/843233506.db2.gz WGHLHQHUVMBDPW-AWEZNQCLSA-N 2 0 326.441 -0.589 20 0 EBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC001343438654 843236645 /nfs/dbraw/zinc/23/66/45/843236645.db2.gz ICDQMUVJHUJQCV-CABCVRRESA-N 2 0 338.452 -0.636 20 0 EBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001345199403 843375402 /nfs/dbraw/zinc/37/54/02/843375402.db2.gz YFZUSTMFYLQQDV-RDBSUJKOSA-N 2 0 328.457 -0.284 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC001345319218 843386523 /nfs/dbraw/zinc/38/65/23/843386523.db2.gz VNFASDDELSPDBY-HIFRSBDPSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H]1SCC[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001345919806 843462137 /nfs/dbraw/zinc/46/21/37/843462137.db2.gz OPVXSJWSZBLMTP-QWHCGFSZSA-N 2 0 330.498 -0.052 20 0 EBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)CC[NH+](C)C1CCN(C)CC1 ZINC001346495121 843522756 /nfs/dbraw/zinc/52/27/56/843522756.db2.gz KXLIMZMJHABSJD-WBVHZDCISA-N 2 0 337.512 -0.141 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC001348447856 843698830 /nfs/dbraw/zinc/69/88/30/843698830.db2.gz QSTPDKJRACHUAP-CABCVRRESA-N 2 0 339.484 -0.722 20 0 EBADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575144247 952164888 /nfs/dbraw/zinc/16/48/88/952164888.db2.gz HGTHEXPJPXDLPL-VXGBXAGGSA-N 2 0 344.423 -0.106 20 0 EBADRP C[N@H+](CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC001691098433 1125832723 /nfs/dbraw/zinc/83/27/23/1125832723.db2.gz LVGYUKVEHARGHZ-MBNYWOFBSA-N 2 0 336.436 -0.240 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1CCN1C(=O)CNC1=O ZINC001691113186 1125835008 /nfs/dbraw/zinc/83/50/08/1125835008.db2.gz PIUWIEUCNDMFIM-CYBMUJFWSA-N 2 0 339.440 -0.541 20 0 EBADRP CCN1CCO[C@@H](C(=O)N(C)CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001408575356 1125869790 /nfs/dbraw/zinc/86/97/90/1125869790.db2.gz VPXPYKGXIBJUGN-UONOGXRCSA-N 2 0 326.441 -0.767 20 0 EBADRP CN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)CC(=O)NC[C@@H]1CCOC1 ZINC001480935777 1125882468 /nfs/dbraw/zinc/88/24/68/1125882468.db2.gz RUNDXLVNCHIJSH-GJZGRUSLSA-N 2 0 340.468 -0.471 20 0 EBADRP CCN1CCO[C@@H](C(=O)NCCN(C)CC(=O)N2CCCCC2)C1 ZINC001480949620 1125890031 /nfs/dbraw/zinc/89/00/31/1125890031.db2.gz LVJSNYYEVFQFQS-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP CC[N@H+](CCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C[C@@H](C)O ZINC001480990351 1125904708 /nfs/dbraw/zinc/90/47/08/1125904708.db2.gz MEZQXWLKDVPRAW-OAGGEKHMSA-N 2 0 343.468 -0.315 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1CCCN1CC(=O)NC[C@@H]1CCOC1 ZINC001481056506 1125914671 /nfs/dbraw/zinc/91/46/71/1125914671.db2.gz QKWMXZITONSKFN-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP CN(C)C(=O)C[N@@H+]1CC[C@H](CNC(=O)CCN2CCOCC2)C1 ZINC001481115704 1125924794 /nfs/dbraw/zinc/92/47/94/1125924794.db2.gz LYRDPCARWNZGDY-CQSZACIVSA-N 2 0 326.441 -0.765 20 0 EBADRP CCOCCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001481124309 1125927560 /nfs/dbraw/zinc/92/75/60/1125927560.db2.gz ZKEURXAZWOEKRZ-LSDHHAIUSA-N 2 0 340.468 -0.471 20 0 EBADRP CN(CC[NH2+]CC(=O)NC[C@H]1CCOC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001481216361 1125945797 /nfs/dbraw/zinc/94/57/97/1125945797.db2.gz YTZWFURFALRDGP-KGLIPLIRSA-N 2 0 326.441 -0.719 20 0 EBADRP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CCN1C(=O)CNC1=O)[NH+](C)C ZINC001481243193 1125950858 /nfs/dbraw/zinc/95/08/58/1125950858.db2.gz IRJZQVYWEVOSFZ-ZDUSSCGKSA-N 2 0 327.429 -0.828 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001481246955 1125952027 /nfs/dbraw/zinc/95/20/27/1125952027.db2.gz DAPGGMGDGFQPLZ-CYBMUJFWSA-N 2 0 341.456 -0.246 20 0 EBADRP C[C@@H]([NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2)C(=O)NC(N)=O ZINC001481252197 1125953946 /nfs/dbraw/zinc/95/39/46/1125953946.db2.gz ZYGMSHKPXWHOCW-LLVKDONJSA-N 2 0 325.413 -0.754 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)CC[NH+](C)C)C[C@H](C)O1 ZINC001481276478 1125962550 /nfs/dbraw/zinc/96/25/50/1125962550.db2.gz BYQJZCNGGDYRAF-KBPBESRZSA-N 2 0 328.457 -0.378 20 0 EBADRP CN(CC[NH2+]CC(=O)NC[C@H]1CCCO1)C(=O)C1CC[NH+](C)CC1 ZINC001481277445 1125962732 /nfs/dbraw/zinc/96/27/32/1125962732.db2.gz OYWKBGIHISVBFO-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001481286810 1125965870 /nfs/dbraw/zinc/96/58/70/1125965870.db2.gz BZFGRVHTEHHKOQ-CHWSQXEVSA-N 2 0 341.456 -0.119 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CC(=O)NC(N)=O ZINC001481288245 1125966320 /nfs/dbraw/zinc/96/63/20/1125966320.db2.gz XPMAZSJPJHXERL-GFCCVEGCSA-N 2 0 327.429 -0.508 20 0 EBADRP C[C@H]([NH2+]CCN(C)C(=O)COC1CC[NH+](C)CC1)C(=O)N(C)C ZINC001481299754 1125968956 /nfs/dbraw/zinc/96/89/56/1125968956.db2.gz XTMMMRJVNVKELN-ZDUSSCGKSA-N 2 0 328.457 -0.378 20 0 EBADRP CN(CC[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)C(=O)C[NH+]1CCCC1 ZINC001481315365 1125971214 /nfs/dbraw/zinc/97/12/14/1125971214.db2.gz XPHMEGLRGJCWQU-OAHLLOKOSA-N 2 0 348.451 -0.331 20 0 EBADRP CN(CC[NH2+]CCc1nnn(C(C)(C)C)n1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001481315395 1125971261 /nfs/dbraw/zinc/97/12/61/1125971261.db2.gz YWADSIHFMZPIIX-ZDUSSCGKSA-N 2 0 337.472 -0.030 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001481319455 1125973087 /nfs/dbraw/zinc/97/30/87/1125973087.db2.gz FHARVSGADONFTG-AWEZNQCLSA-N 2 0 348.513 -0.344 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)CC(=O)NC(=O)NC)C1 ZINC001481505427 1126005053 /nfs/dbraw/zinc/00/50/53/1126005053.db2.gz QLSVEUQUNGJSPR-ZDUSSCGKSA-N 2 0 341.456 -0.436 20 0 EBADRP CCC[N@H+](C)CCC(=O)N(C)[C@H]1CCN(CC(=O)NC(=O)NC)C1 ZINC001481749329 1126051388 /nfs/dbraw/zinc/05/13/88/1126051388.db2.gz QVBRSCPAGPWHRR-ZDUSSCGKSA-N 2 0 341.456 -0.293 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@](C)(C[NH2+][C@H](C)C(=O)NC(N)=O)C1CC1 ZINC001481949818 1126069078 /nfs/dbraw/zinc/06/90/78/1126069078.db2.gz AXPONKCBMDAXLD-BZNIZROVSA-N 2 0 341.456 -0.216 20 0 EBADRP C[C@H](CNC(=O)COC1CC[NH+](C)CC1)C[NH2+]CC(=O)N1CCC1 ZINC001482156066 1126088237 /nfs/dbraw/zinc/08/82/37/1126088237.db2.gz LMRUFIMEKYTIKO-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP Cc1nnc(C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)C[NH+]2CCOCC2)[nH]1 ZINC001482167175 1126089443 /nfs/dbraw/zinc/08/94/43/1126089443.db2.gz CGSNNUCKFCVVEU-STQMWFEESA-N 2 0 338.456 -0.077 20 0 EBADRP C[C@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482283745 1126118906 /nfs/dbraw/zinc/11/89/06/1126118906.db2.gz PRLDWZBLILVVDI-OCCSQVGLSA-N 2 0 346.497 -0.686 20 0 EBADRP CC(C)C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001482397729 1126144326 /nfs/dbraw/zinc/14/43/26/1126144326.db2.gz CVMIPTHZRRMSPB-STQMWFEESA-N 2 0 341.456 -0.214 20 0 EBADRP CC(C)[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC(=O)NC(N)=O ZINC001482532281 1126191579 /nfs/dbraw/zinc/19/15/79/1126191579.db2.gz QUJQWTXVFYRIFB-QWHCGFSZSA-N 2 0 339.440 -0.747 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001648976256 1126210330 /nfs/dbraw/zinc/21/03/30/1126210330.db2.gz KNLJMCMICWUYDQ-WBVHZDCISA-N 2 0 326.485 -0.119 20 0 EBADRP O=C(Cn1ccnc1)NCC1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001409155450 1126218437 /nfs/dbraw/zinc/21/84/37/1126218437.db2.gz SCZZXWDSGFLBCL-HNNXBMFYSA-N 2 0 331.420 -0.201 20 0 EBADRP CC[C@H](C(=O)N(C)CC[N@H+](C)CCN1C(=O)CNC1=O)[NH+](C)C ZINC001482643525 1126244260 /nfs/dbraw/zinc/24/42/60/1126244260.db2.gz OZCZQTUYZYIKEU-GFCCVEGCSA-N 2 0 327.429 -0.731 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCN1CCNC1=O ZINC001482686058 1126252420 /nfs/dbraw/zinc/25/24/20/1126252420.db2.gz IIYQSLNLBBCVQX-KBPBESRZSA-N 2 0 325.457 -0.162 20 0 EBADRP CC(C)(C(=O)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O)[NH+]1CCCCC1 ZINC001482727863 1126268134 /nfs/dbraw/zinc/26/81/34/1126268134.db2.gz CZRRTYHVPLFQCU-UONOGXRCSA-N 2 0 340.468 -0.404 20 0 EBADRP Cn1cc(CC[NH2+]C[C@H](O)CNC(=O)[C@H]2C[NH+]3CCC2CC3)cn1 ZINC001482730201 1126269196 /nfs/dbraw/zinc/26/91/96/1126269196.db2.gz UTERIBKFCYGZRD-HOTGVXAUSA-N 2 0 335.452 -0.629 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCc2ccccc21 ZINC001482764906 1126281431 /nfs/dbraw/zinc/28/14/31/1126281431.db2.gz YTSXRIIOTOGYKX-HNNXBMFYSA-N 2 0 348.447 -0.406 20 0 EBADRP C[C@H](CC[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001482859842 1126298761 /nfs/dbraw/zinc/29/87/61/1126298761.db2.gz CAPNIXPHBPEHDN-QLFBSQMISA-N 2 0 340.468 -0.452 20 0 EBADRP C[C@@H](CC[NH2+]CCN1CCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001482866614 1126299001 /nfs/dbraw/zinc/29/90/01/1126299001.db2.gz BFOUQOOCBUEWPE-ZDUSSCGKSA-N 2 0 325.457 -0.162 20 0 EBADRP C[C@H](CC[NH2+]CCN1C(=O)CNC1=O)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482887931 1126299945 /nfs/dbraw/zinc/29/99/45/1126299945.db2.gz GGZSVYYCBIYDRT-OLZOCXBDSA-N 2 0 339.440 -0.636 20 0 EBADRP C[C@H](CC[NH2+]CCN1CCNC1=O)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001482896484 1126300131 /nfs/dbraw/zinc/30/01/31/1126300131.db2.gz ZUJXCOAOGDFCKO-PBHICJAKSA-N 2 0 337.468 -0.018 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001482888379 1126300622 /nfs/dbraw/zinc/30/06/22/1126300622.db2.gz KCYCDSXCFSUWKI-AAEUAGOBSA-N 2 0 329.445 -0.487 20 0 EBADRP CCN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001482914529 1126302547 /nfs/dbraw/zinc/30/25/47/1126302547.db2.gz PGYUNLAINALRIB-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP CCN(CC[NH2+]CCN(C)S(C)(=O)=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482944519 1126305149 /nfs/dbraw/zinc/30/51/49/1126305149.db2.gz HJCHACSZUCZUSD-AWEZNQCLSA-N 2 0 348.513 -0.200 20 0 EBADRP C[N@H+](CC(=O)NC1CC(C[NH2+]CC(=O)NC(N)=O)C1)C1CCC1 ZINC001409264204 1126320521 /nfs/dbraw/zinc/32/05/21/1126320521.db2.gz FYKXKQKLNUPXOP-UHFFFAOYSA-N 2 0 325.413 -0.850 20 0 EBADRP Cn1ccc(N2CC[C@@H]([NH2+]C/C=C\CNC(=O)CC[NH+](C)C)C2=O)n1 ZINC001483054725 1126326455 /nfs/dbraw/zinc/32/64/55/1126326455.db2.gz QUUVQSQQYRUJOC-ZRUQZJFASA-N 2 0 348.451 -0.261 20 0 EBADRP Cn1[nH]c(CNC/C=C/CNC(=O)CC2CC[NH+](C)CC2)nc1=O ZINC001483069132 1126328754 /nfs/dbraw/zinc/32/87/54/1126328754.db2.gz JWUXCYNGBKWPFM-ONEGZZNKSA-N 2 0 336.440 -0.398 20 0 EBADRP O=C(CC[NH+]1CCCCC1)NC/C=C\C[NH2+][C@H]1CCC(=O)NC1=O ZINC001483098736 1126332822 /nfs/dbraw/zinc/33/28/22/1126332822.db2.gz SSZVKOPXEROCMP-SFAKSCPVSA-N 2 0 336.436 -0.070 20 0 EBADRP C[C@H](C[NH2+]CC(=O)Nc1cnccn1)NC(=O)C1([NH+](C)C)CCC1 ZINC001483135997 1126344702 /nfs/dbraw/zinc/34/47/02/1126344702.db2.gz ZEEYXQKMUGOPQV-GFCCVEGCSA-N 2 0 334.424 -0.006 20 0 EBADRP C[NH+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001691628674 1126346515 /nfs/dbraw/zinc/34/65/15/1126346515.db2.gz ACTIQCIMZSDBCB-CQSZACIVSA-N 2 0 348.513 -0.152 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC[C@H]1CCOC1)NC(=O)C[NH+]1CCCC1 ZINC001483192622 1126352202 /nfs/dbraw/zinc/35/22/02/1126352202.db2.gz AQOFLQDSHUUVJO-ZIAGYGMSSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@H](C[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O)NC(=O)C[NH+]1CCCC1 ZINC001483193029 1126352230 /nfs/dbraw/zinc/35/22/30/1126352230.db2.gz OYXXDVOSBFMDSC-ZIAGYGMSSA-N 2 0 348.451 -0.285 20 0 EBADRP C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)[C@H](C)[NH2+]Cc1cnnn1C ZINC001409382739 1126361181 /nfs/dbraw/zinc/36/11/81/1126361181.db2.gz IPESKHMJTLXLSS-QWHCGFSZSA-N 2 0 348.455 -0.130 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001409481393 1126370713 /nfs/dbraw/zinc/37/07/13/1126370713.db2.gz WYHJNAQMFRRPDO-ZIAGYGMSSA-N 2 0 328.457 -0.332 20 0 EBADRP C[C@@H](C[NH2+]C[C@@H]1CCS(=O)(=O)C1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483260265 1126411257 /nfs/dbraw/zinc/41/12/57/1126411257.db2.gz GARHDJDAMCCCOA-STQMWFEESA-N 2 0 331.482 -0.143 20 0 EBADRP C[C@H](C(=O)N(C)CCC[NH2+]CC(=O)NC(N)=O)[NH+]1CCCCCC1 ZINC001483495930 1126430982 /nfs/dbraw/zinc/43/09/82/1126430982.db2.gz OFWLLDPHGWVDNB-CYBMUJFWSA-N 2 0 341.456 -0.116 20 0 EBADRP C[C@@H](C(=O)N(C)CCC[NH2+]CC(=O)NC(N)=O)[NH+]1CCCCCC1 ZINC001483495931 1126431061 /nfs/dbraw/zinc/43/10/61/1126431061.db2.gz OFWLLDPHGWVDNB-ZDUSSCGKSA-N 2 0 341.456 -0.116 20 0 EBADRP CCCNC(=O)NC(=O)CN(C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483417591 1126426140 /nfs/dbraw/zinc/42/61/40/1126426140.db2.gz MZSLHYLORHUSQI-CHWSQXEVSA-N 2 0 341.456 -0.390 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001483509365 1126432075 /nfs/dbraw/zinc/43/20/75/1126432075.db2.gz JSXKUECTNOJAFJ-LBPRGKRZSA-N 2 0 327.429 -0.778 20 0 EBADRP C[C@@H]([NH2+]C[C@H](NC(=O)COC1CC[NH+](C)CC1)C1CC1)C(N)=O ZINC001483597044 1126438885 /nfs/dbraw/zinc/43/88/85/1126438885.db2.gz UJUCMRIKSGRTQZ-RISCZKNCSA-N 2 0 326.441 -0.545 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](NC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001483596935 1126439011 /nfs/dbraw/zinc/43/90/11/1126439011.db2.gz RNJOESMIPROWCR-IUODEOHRSA-N 2 0 340.468 -0.284 20 0 EBADRP CC1CC[NH+](CC(=O)NCC2([NH2+][C@@H]3CCC(=O)NC3=O)CC2)CC1 ZINC001483780025 1126476380 /nfs/dbraw/zinc/47/63/80/1126476380.db2.gz XPMUVNLBBPVQEH-CYBMUJFWSA-N 2 0 336.436 -0.238 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C[C@@H]1C ZINC001483915549 1126489085 /nfs/dbraw/zinc/48/90/85/1126489085.db2.gz HHNNUXMRPKZZHO-UONOGXRCSA-N 2 0 348.513 -0.154 20 0 EBADRP C[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001483910481 1126490208 /nfs/dbraw/zinc/49/02/08/1126490208.db2.gz ZQKZDGQJQDKZBP-RYUDHWBXSA-N 2 0 339.440 -0.508 20 0 EBADRP C[C@@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001483910482 1126490264 /nfs/dbraw/zinc/49/02/64/1126490264.db2.gz ZQKZDGQJQDKZBP-VXGBXAGGSA-N 2 0 339.440 -0.508 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001484120636 1126507637 /nfs/dbraw/zinc/50/76/37/1126507637.db2.gz QNFDBXXUKUAPHE-SUMWQHHRSA-N 2 0 338.452 -0.038 20 0 EBADRP CC1CC[NH+](CC(=O)NC[C@]2(O)CC[N@H+](CCOCCO)C2)CC1 ZINC001484242041 1126538198 /nfs/dbraw/zinc/53/81/98/1126538198.db2.gz HIRLIHBFGQKAFC-QGZVFWFLSA-N 2 0 343.468 -0.720 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001484404515 1126569839 /nfs/dbraw/zinc/56/98/39/1126569839.db2.gz JNMCZMBGEHJONM-RVMXOQNASA-N 2 0 337.424 -0.946 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001484472879 1126588963 /nfs/dbraw/zinc/58/89/63/1126588963.db2.gz KBBHXFVYZZLVSA-RWMBFGLXSA-N 2 0 339.440 -0.556 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]CC(=O)N1CCCC1 ZINC001484478359 1126590824 /nfs/dbraw/zinc/59/08/24/1126590824.db2.gz NXAFEXIZLALFAX-AWEZNQCLSA-N 2 0 326.441 -0.887 20 0 EBADRP C[C@@H]([NH2+]CCN(C)C(=O)CC[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001493806814 1126594133 /nfs/dbraw/zinc/59/41/33/1126594133.db2.gz PFPLKKLPOFLQAE-GFCCVEGCSA-N 2 0 327.429 -0.506 20 0 EBADRP CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]CCN2CCNC2=O)C1)[NH+](C)C ZINC001484680601 1126616130 /nfs/dbraw/zinc/61/61/30/1126616130.db2.gz OIFFOEBCYPLJQE-UONOGXRCSA-N 2 0 341.456 -0.831 20 0 EBADRP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CC[NH+](C)C)CCO2)nn1 ZINC001484688005 1126621998 /nfs/dbraw/zinc/62/19/98/1126621998.db2.gz QZDMSHKKGFZGAV-CQSZACIVSA-N 2 0 337.424 -0.246 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001484695785 1126624638 /nfs/dbraw/zinc/62/46/38/1126624638.db2.gz IRSVTWYAOGXAAM-LSDHHAIUSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001484887139 1126649268 /nfs/dbraw/zinc/64/92/68/1126649268.db2.gz FJSKYQWYJSIMIP-WDEREUQCSA-N 2 0 325.413 -0.898 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CC1(O)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001484960361 1126659337 /nfs/dbraw/zinc/65/93/37/1126659337.db2.gz BYVKZOHPWRSRID-UONOGXRCSA-N 2 0 342.484 -0.350 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)CCN1CCNC1=O ZINC001485068563 1126670737 /nfs/dbraw/zinc/67/07/37/1126670737.db2.gz GKRVAUNCCCYAAA-AWEZNQCLSA-N 2 0 325.457 -0.114 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CC1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001485109952 1126675595 /nfs/dbraw/zinc/67/55/95/1126675595.db2.gz ORFYXTLXFDEKJZ-UHFFFAOYSA-N 2 0 339.440 -0.588 20 0 EBADRP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001485205315 1126681626 /nfs/dbraw/zinc/68/16/26/1126681626.db2.gz NOSMKKCOOGOOFM-NWDGAFQWSA-N 2 0 327.429 -0.604 20 0 EBADRP CN(CC(C)(C)C[NH2+][C@H]1CCC(=O)NC1=O)C(=O)CC[NH+](C)C ZINC001485259595 1126684177 /nfs/dbraw/zinc/68/41/77/1126684177.db2.gz YQSGDXLXCRAZPG-LBPRGKRZSA-N 2 0 326.441 -0.183 20 0 EBADRP O=C(NCCOCCC[NH2+][C@@H]1CCNC1=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001485796433 1126836800 /nfs/dbraw/zinc/83/68/00/1126836800.db2.gz KSOXZTAHQXAEFN-PBHICJAKSA-N 2 0 338.452 -0.527 20 0 EBADRP [NH3+]CCCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)nn1 ZINC001649062169 1126867341 /nfs/dbraw/zinc/86/73/41/1126867341.db2.gz FHKCGXXVTGAJDO-GASCZTMLSA-N 3 0 347.467 -0.332 20 0 EBADRP C[NH+]1CCN(c2cc(C(=O)N3CCC[C@]([NH3+])(CO)C3)ccn2)CC1 ZINC001649087872 1126869167 /nfs/dbraw/zinc/86/91/67/1126869167.db2.gz FLZPLMLUABITTQ-QGZVFWFLSA-N 2 0 333.436 -0.241 20 0 EBADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH2+]CCS(C)(=O)=O)C1CC1 ZINC001485833576 1126888721 /nfs/dbraw/zinc/88/87/21/1126888721.db2.gz JORAAYOJEGKURA-KGLIPLIRSA-N 2 0 331.482 -0.191 20 0 EBADRP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)[NH+](C)C ZINC001485891945 1126909447 /nfs/dbraw/zinc/90/94/47/1126909447.db2.gz LFNNWMVKXJBTAC-NWDGAFQWSA-N 2 0 327.429 -0.685 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001485909382 1126913801 /nfs/dbraw/zinc/91/38/01/1126913801.db2.gz LWXPILAFOUEXPE-QWHCGFSZSA-N 2 0 334.486 -0.544 20 0 EBADRP CCCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001486008495 1126982901 /nfs/dbraw/zinc/98/29/01/1126982901.db2.gz PIFLBTPSXKTRPW-CQSZACIVSA-N 2 0 340.468 -0.545 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cccc3c2OCCO3)C1 ZINC001486061336 1127010991 /nfs/dbraw/zinc/01/09/91/1127010991.db2.gz LGZNVOFASXDRHB-GJZGRUSLSA-N 2 0 349.431 -0.024 20 0 EBADRP CN(C[C@H](O)C[NH2+]CC1CCS(=O)(=O)CC1)C(=O)CC[NH+](C)C ZINC001486297281 1127104743 /nfs/dbraw/zinc/10/47/43/1127104743.db2.gz DQDMRIZFLIIHDV-CQSZACIVSA-N 2 0 349.497 -0.828 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)C1CC[NH+](C)CC1 ZINC001486298786 1127105748 /nfs/dbraw/zinc/10/57/48/1127105748.db2.gz XFXWQTJBBJBUOO-AWEZNQCLSA-N 2 0 326.441 -0.984 20 0 EBADRP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001486317385 1127119753 /nfs/dbraw/zinc/11/97/53/1127119753.db2.gz HEUKBBKSBUIVIU-ZFWWWQNUSA-N 2 0 328.457 -0.738 20 0 EBADRP C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+](C)CC(C)(C)C)C(=O)N(C)C ZINC001486310887 1127123645 /nfs/dbraw/zinc/12/36/45/1127123645.db2.gz NKYXTPNYDKXUFM-ZIAGYGMSSA-N 2 0 344.500 -0.150 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3[C@@H](CNC(=O)C[NH+]4CCCC4)[C@@H]3C2)C1 ZINC001487312020 1127462147 /nfs/dbraw/zinc/46/21/47/1127462147.db2.gz VLGXCHAHAPINGS-YHUYYLMFSA-N 2 0 334.464 -0.146 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001410114551 1127577919 /nfs/dbraw/zinc/57/79/19/1127577919.db2.gz ATGLWWNFOANZBZ-CYBMUJFWSA-N 2 0 342.484 -0.206 20 0 EBADRP C[C@H]([NH2+]CC(=O)N1CCCC1)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001410155490 1127616860 /nfs/dbraw/zinc/61/68/60/1127616860.db2.gz IDSJLMVQBFPHBX-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@@H](C)NC(=O)[C@H]1CN(C)CCO1)[NH+](C)C ZINC001410178430 1127631222 /nfs/dbraw/zinc/63/12/22/1127631222.db2.gz ZKQDXVYYMUNIEE-MCIONIFRSA-N 2 0 328.457 -0.476 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)Nc2cnccn2)C1 ZINC001410218554 1127645749 /nfs/dbraw/zinc/64/57/49/1127645749.db2.gz OXLLAJNBGGEVGX-JOCQHMNTSA-N 2 0 334.424 -0.149 20 0 EBADRP C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]C[C@H](O)Cn1cccn1 ZINC001410477847 1127725631 /nfs/dbraw/zinc/72/56/31/1127725631.db2.gz BSFQVOXBQSPGIV-GJZGRUSLSA-N 2 0 335.452 -0.224 20 0 EBADRP C[C@@H](CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]Cc1cnnn1C ZINC001410496062 1127729171 /nfs/dbraw/zinc/72/91/71/1127729171.db2.gz FRMZZPZVVCRSNW-KBPBESRZSA-N 2 0 338.456 -0.280 20 0 EBADRP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001410514677 1127732204 /nfs/dbraw/zinc/73/22/04/1127732204.db2.gz VKKPZDWKJMTXJB-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP COc1ccc(C[NH2+][C@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1 ZINC001410640645 1127785599 /nfs/dbraw/zinc/78/55/99/1127785599.db2.gz AUSWOYMFEBEKQW-VHDGCEQUSA-N 2 0 336.436 -0.003 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C(C)C)CC[N@@H+]1C ZINC001410646970 1127788053 /nfs/dbraw/zinc/78/80/53/1127788053.db2.gz FAOWXLYBBFOWFP-QLFBSQMISA-N 2 0 342.484 -0.350 20 0 EBADRP CC(C)(C)n1nnnc1CN[C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001410776093 1127880883 /nfs/dbraw/zinc/88/08/83/1127880883.db2.gz ATZHPGZZYSYMRE-GFCCVEGCSA-N 2 0 339.444 -0.909 20 0 EBADRP CCN1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cnccc2C)C1 ZINC001410782831 1127886722 /nfs/dbraw/zinc/88/67/22/1127886722.db2.gz KFHGJKYMYNVQOS-HOTGVXAUSA-N 2 0 336.436 -0.323 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001411055200 1127990397 /nfs/dbraw/zinc/99/03/97/1127990397.db2.gz DKMJLYHUEMKRNO-KBPBESRZSA-N 2 0 328.457 -0.644 20 0 EBADRP Cc1nn(C)cc1C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001411123847 1128024420 /nfs/dbraw/zinc/02/44/20/1128024420.db2.gz IJZSNRZKNVHSSC-OAHLLOKOSA-N 2 0 325.457 -0.022 20 0 EBADRP COc1ncccc1C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001411139278 1128033541 /nfs/dbraw/zinc/03/35/41/1128033541.db2.gz NAYIBVBKUPXQSJ-HUUCEWRRSA-N 2 0 336.436 -0.049 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001411156850 1128050163 /nfs/dbraw/zinc/05/01/63/1128050163.db2.gz OMOKFHFPQAHTAL-YOEHRIQHSA-N 2 0 340.468 -0.498 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC(n3cc(C[NH2+]C[C@@H]4CCOC4)nn3)C2)C1 ZINC001093343797 1128331086 /nfs/dbraw/zinc/33/10/86/1128331086.db2.gz QWAVMDJVRUKNRH-UONOGXRCSA-N 2 0 348.451 -0.261 20 0 EBADRP C[N@H+](CC(=O)N[C@H](CO)CNC(=O)[C@H]1CC[NH+](C)C1)C1CCC1 ZINC001488000237 1128536344 /nfs/dbraw/zinc/53/63/44/1128536344.db2.gz ODMZLFOVYPOTMY-STQMWFEESA-N 2 0 326.441 -0.984 20 0 EBADRP C[N@H+](CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CC[NH+](C)C1)C1CCC1 ZINC001488000234 1128536464 /nfs/dbraw/zinc/53/64/64/1128536464.db2.gz ODMZLFOVYPOTMY-CHWSQXEVSA-N 2 0 326.441 -0.984 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H](CO)CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001488049273 1128548377 /nfs/dbraw/zinc/54/83/77/1128548377.db2.gz MTGKHJGTCMLTGF-CQSZACIVSA-N 2 0 338.452 -0.983 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001488049267 1128548382 /nfs/dbraw/zinc/54/83/82/1128548382.db2.gz MTGKHJGTCMLTGF-AWEZNQCLSA-N 2 0 338.452 -0.983 20 0 EBADRP CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)C(C)(C)[NH+]1CCCC1)[NH+](C)C ZINC001488058228 1128557116 /nfs/dbraw/zinc/55/71/16/1128557116.db2.gz NZEJGIDZJLXYJH-KGLIPLIRSA-N 2 0 342.484 -0.206 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001488375006 1128712843 /nfs/dbraw/zinc/71/28/43/1128712843.db2.gz SZXZICZCIZOCNO-HNNXBMFYSA-N 2 0 342.484 -0.395 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1)C(=O)NC(N)=O ZINC001488774617 1128841505 /nfs/dbraw/zinc/84/15/05/1128841505.db2.gz XAOVLQDTDXECEL-XQHKEYJVSA-N 2 0 339.440 -0.604 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC(N)=O)C1 ZINC001488982381 1128894150 /nfs/dbraw/zinc/89/41/50/1128894150.db2.gz TWFWPKLJMCNVGJ-UONOGXRCSA-N 2 0 336.440 -0.870 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]([NH+](CCO)CCCO)C2)C1 ZINC001489173079 1128917105 /nfs/dbraw/zinc/91/71/05/1128917105.db2.gz ISAHDHWPEFVKAN-HZPDHXFCSA-N 2 0 327.469 -0.004 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]([N@@H+](CCO)CCCO)C1 ZINC001489161266 1128923641 /nfs/dbraw/zinc/92/36/41/1128923641.db2.gz UBCYOOAOLYYIFC-SJORKVTESA-N 2 0 339.480 -0.004 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@H]1O ZINC001489622544 1129031839 /nfs/dbraw/zinc/03/18/39/1129031839.db2.gz FWRWHDYFUCUOOC-MCIONIFRSA-N 2 0 326.441 -0.890 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001490197179 1129146706 /nfs/dbraw/zinc/14/67/06/1129146706.db2.gz UKTFJMMXSQOVBR-AAEUAGOBSA-N 2 0 339.440 -0.650 20 0 EBADRP C[C@H](C(=O)NCCC[N@H+](C)CC(=O)NC(N)=O)[NH+]1CCCCCC1 ZINC001490256691 1129153966 /nfs/dbraw/zinc/15/39/66/1129153966.db2.gz UEQVWMPDXJNQPY-CYBMUJFWSA-N 2 0 341.456 -0.116 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[N@H+](C)[C@H]1CCCNC1=O ZINC001490279329 1129156528 /nfs/dbraw/zinc/15/65/28/1129156528.db2.gz BXGICHVWWMXNPZ-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)CC(=O)NC(N)=O ZINC001490355761 1129172405 /nfs/dbraw/zinc/17/24/05/1129172405.db2.gz QAADEMBYTQMNON-LBPRGKRZSA-N 2 0 327.429 -0.649 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CC[C@H](C)C2)C[C@@H]1O ZINC001414048877 1131352743 /nfs/dbraw/zinc/35/27/43/1131352743.db2.gz CITZEZVLLMNPCF-ZNMIVQPWSA-N 2 0 340.468 -0.644 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@@H]1O ZINC001414054706 1131362876 /nfs/dbraw/zinc/36/28/76/1131362876.db2.gz PTZLUGCAVUCDHL-ILXRZTDVSA-N 2 0 340.468 -0.500 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001412087313 1129444325 /nfs/dbraw/zinc/44/43/25/1129444325.db2.gz DKWKLXGFRASZNS-LVQVYYBASA-N 2 0 334.464 -0.003 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C[NH+](C)C ZINC001412444832 1129529912 /nfs/dbraw/zinc/52/99/12/1129529912.db2.gz CRPHNVGAMCCYLX-YIYPIFLZSA-N 2 0 326.441 -0.783 20 0 EBADRP CNC(=O)CN1CCCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC001412662926 1129587799 /nfs/dbraw/zinc/58/77/99/1129587799.db2.gz KAAAHMMCCBNBRJ-ZDUSSCGKSA-N 2 0 328.482 -0.296 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001490835537 1129622001 /nfs/dbraw/zinc/62/20/01/1129622001.db2.gz JDQCMSPXSDKSFA-HOTGVXAUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H](C(=O)N[C@H](CO)CNC(=O)CC[NH+](C)C)[NH+]1CCCCCC1 ZINC001412964254 1129821177 /nfs/dbraw/zinc/82/11/77/1129821177.db2.gz FBPOKCIQBFXQKZ-GJZGRUSLSA-N 2 0 342.484 -0.204 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001413359182 1130045758 /nfs/dbraw/zinc/04/57/58/1130045758.db2.gz YSRHXTSBWFLUOU-QLFBSQMISA-N 2 0 342.484 -0.396 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(C(N)=O)nc2)C[C@H]1C[NH+](C)C ZINC001413413673 1130077943 /nfs/dbraw/zinc/07/79/43/1130077943.db2.gz HONOOFCAURUWAH-ZIAGYGMSSA-N 2 0 333.436 -0.008 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC001493232265 1130142104 /nfs/dbraw/zinc/14/21/04/1130142104.db2.gz DBROMQSOHZCBLV-CYBMUJFWSA-N 2 0 339.440 -0.682 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001490901942 1130233082 /nfs/dbraw/zinc/23/30/82/1130233082.db2.gz HCDVLYMRMKDUKD-KLHDSHLOSA-N 2 0 335.452 -0.035 20 0 EBADRP C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[NH+](C)C ZINC001413728297 1130244712 /nfs/dbraw/zinc/24/47/12/1130244712.db2.gz JRGOCMNCQZPBSE-LSDHHAIUSA-N 2 0 327.473 -0.358 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001490921828 1130268236 /nfs/dbraw/zinc/26/82/36/1130268236.db2.gz FHHASWZVKAGGRV-SRVKXCTJSA-N 2 0 339.440 -0.591 20 0 EBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001490935418 1130268298 /nfs/dbraw/zinc/26/82/98/1130268298.db2.gz VQZDWQLNSDUHLN-UBHSHLNASA-N 2 0 336.440 -0.570 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](O)CN3CCCC3=O)C2)C1 ZINC001490956459 1130273175 /nfs/dbraw/zinc/27/31/75/1130273175.db2.gz VYGJEMRDGKOBSM-AJNGGQMLSA-N 2 0 338.452 -0.842 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001490998568 1130283748 /nfs/dbraw/zinc/28/37/48/1130283748.db2.gz FFNCSTYCKGJVDM-CQSZACIVSA-N 2 0 326.441 -0.670 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001491548073 1130498284 /nfs/dbraw/zinc/49/82/84/1130498284.db2.gz NBIYUAYDWMEBRH-NEPJUHHUSA-N 2 0 341.456 -0.201 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001216494587 1130523318 /nfs/dbraw/zinc/52/33/18/1130523318.db2.gz NXKIGVAIAXLZJN-CHWSQXEVSA-N 2 0 341.456 -0.390 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001492049087 1130577439 /nfs/dbraw/zinc/57/74/39/1130577439.db2.gz WGXWIZNTQHZNGD-UHFFFAOYSA-N 2 0 342.484 -0.034 20 0 EBADRP C[C@@H](CCNC(=O)COC1CC[NH+](C)CC1)[NH2+]CC(=O)N(C)C ZINC001492105648 1130582250 /nfs/dbraw/zinc/58/22/50/1130582250.db2.gz VNIRVVQYCIHJIR-ZDUSSCGKSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCN1C(=O)CCC1=O ZINC001492110631 1130582833 /nfs/dbraw/zinc/58/28/33/1130582833.db2.gz MKVWNAGJGGVKEW-KGLIPLIRSA-N 2 0 338.452 -0.038 20 0 EBADRP C[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)CCN1CCNC1=O ZINC001492293324 1130634343 /nfs/dbraw/zinc/63/43/43/1130634343.db2.gz LMXMJUKTJHDJDM-AWEZNQCLSA-N 2 0 325.457 -0.066 20 0 EBADRP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001480530721 1130826819 /nfs/dbraw/zinc/82/68/19/1130826819.db2.gz MYDFJCYFUNVPIP-MNOVXSKESA-N 2 0 327.429 -0.591 20 0 EBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCN1CCC([NH3+])CC1 ZINC001356621813 1130887020 /nfs/dbraw/zinc/88/70/20/1130887020.db2.gz MZNVAQJSSZQYHP-AWEZNQCLSA-N 2 0 326.489 -0.655 20 0 EBADRP CC(C)[C@H](C(=O)NC1CN(C(=O)COCC[NH+](C)C)C1)[NH+](C)C ZINC001356780969 1130937565 /nfs/dbraw/zinc/93/75/65/1130937565.db2.gz QVHNHDZZMDSRBY-OAHLLOKOSA-N 2 0 328.457 -0.522 20 0 EBADRP O=C(CC[N@H+]1CC[C@@H](F)C1)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001361948284 1131485702 /nfs/dbraw/zinc/48/57/02/1131485702.db2.gz JAUOXMRSAXBRMA-CVEARBPZSA-N 2 0 342.459 -0.057 20 0 EBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](CCC(=O)OC)C[C@H]1C ZINC001365286431 1132607903 /nfs/dbraw/zinc/60/79/03/1132607903.db2.gz JFDKGTWZUFSZGY-HUUCEWRRSA-N 2 0 331.457 -0.505 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1)C(=O)NC(N)=O ZINC001365813699 1132814373 /nfs/dbraw/zinc/81/43/73/1132814373.db2.gz BBLPBNPBRWTHOA-NDBYEHHHSA-N 2 0 339.440 -0.462 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001365821073 1132818513 /nfs/dbraw/zinc/81/85/13/1132818513.db2.gz ALFYGTVTQRXUMW-RWMBFGLXSA-N 2 0 339.440 -0.732 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001365825216 1132819814 /nfs/dbraw/zinc/81/98/14/1132819814.db2.gz URRIOSKBRHPFHZ-MELADBBJSA-N 2 0 331.482 -0.143 20 0 EBADRP COC[C@H](O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001365876055 1132853902 /nfs/dbraw/zinc/85/39/02/1132853902.db2.gz OKVAZTGLFOXTMY-HZPDHXFCSA-N 2 0 343.468 -0.625 20 0 EBADRP C[C@H](O)C[NH+]1CCN(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001365960021 1132920764 /nfs/dbraw/zinc/92/07/64/1132920764.db2.gz BQXBQRMGIFMTJW-HNNXBMFYSA-N 2 0 326.485 -0.167 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC23CC[NH+](CC(=O)NC(N)=O)CC3)C1 ZINC001366014990 1132969920 /nfs/dbraw/zinc/96/99/20/1132969920.db2.gz OYBGVGZQFZUXHN-NWDGAFQWSA-N 2 0 337.424 -0.896 20 0 EBADRP CN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001366098523 1133003132 /nfs/dbraw/zinc/00/31/32/1133003132.db2.gz NFAXQPLSEYRSRA-ZDUSSCGKSA-N 2 0 326.441 -0.624 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001366107759 1133009860 /nfs/dbraw/zinc/00/98/60/1133009860.db2.gz DURLKOSWODKGEG-TUVASFSCSA-N 2 0 338.452 -0.387 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001366153895 1133029640 /nfs/dbraw/zinc/02/96/40/1133029640.db2.gz GUCMXQAMWRLZEM-SDDRHHMPSA-N 2 0 327.429 -0.591 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001366166909 1133036218 /nfs/dbraw/zinc/03/62/18/1133036218.db2.gz VRFYHFADDNJLRK-MCIONIFRSA-N 2 0 347.481 -0.764 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001366183718 1133045203 /nfs/dbraw/zinc/04/52/03/1133045203.db2.gz BJQVQZCMNDFFDX-LSDHHAIUSA-N 2 0 325.453 -0.082 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001366193744 1133050270 /nfs/dbraw/zinc/05/02/70/1133050270.db2.gz RRNGQHWPEBJURY-OLZOCXBDSA-N 2 0 339.440 -0.506 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001366207425 1133056321 /nfs/dbraw/zinc/05/63/21/1133056321.db2.gz OUCYWBKPCDTMSO-NEPJUHHUSA-N 2 0 327.429 -0.650 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001366208014 1133056361 /nfs/dbraw/zinc/05/63/61/1133056361.db2.gz OUCYWBKPCDTMSO-VXGBXAGGSA-N 2 0 327.429 -0.650 20 0 EBADRP CCNC(=O)C[NH2+][C@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001366300780 1133091400 /nfs/dbraw/zinc/09/14/00/1133091400.db2.gz SAWFSLWZCFIIRG-CYBMUJFWSA-N 2 0 328.457 -0.425 20 0 EBADRP Cn1ccc(N2CC[C@H]([NH2+][C@H]3CCN(C(=O)CC[NH+](C)C)C3)C2=O)n1 ZINC001366386332 1133123474 /nfs/dbraw/zinc/12/34/74/1133123474.db2.gz RJGXFMZRNINTOM-KBPBESRZSA-N 2 0 348.451 -0.332 20 0 EBADRP O=C(C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)NCC(F)(F)F ZINC001366388231 1133124854 /nfs/dbraw/zinc/12/48/54/1133124854.db2.gz PNQYAMJVDDBRKR-NSHDSACASA-N 2 0 348.369 -0.049 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001366419838 1133139588 /nfs/dbraw/zinc/13/95/88/1133139588.db2.gz AELKCXAZWWATEO-CHWSQXEVSA-N 2 0 339.440 -0.445 20 0 EBADRP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC1CCOCC1 ZINC001366510704 1133162119 /nfs/dbraw/zinc/16/21/19/1133162119.db2.gz QBFZAKMEQAKNQQ-KBPBESRZSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)Nc1nncs1 ZINC001366513006 1133162758 /nfs/dbraw/zinc/16/27/58/1133162758.db2.gz XXXDLXOOTLWXPO-QWRGUYRKSA-N 2 0 340.453 -0.087 20 0 EBADRP CN(CCN1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1)S(C)(=O)=O ZINC001366674253 1133240383 /nfs/dbraw/zinc/24/03/83/1133240383.db2.gz GOAAIWLIQIUKBJ-CQSZACIVSA-N 2 0 346.497 -0.446 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001366702040 1133261519 /nfs/dbraw/zinc/26/15/19/1133261519.db2.gz ZKSUBLQDJUHFJY-CYBMUJFWSA-N 2 0 326.441 -0.732 20 0 EBADRP CCS(=O)(=O)NCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001366704194 1133263673 /nfs/dbraw/zinc/26/36/73/1133263673.db2.gz ZZNRBGZYYQBCIJ-ZIAGYGMSSA-N 2 0 346.497 -0.542 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](CCN2CCNC2=O)C1 ZINC001366705069 1133264749 /nfs/dbraw/zinc/26/47/49/1133264749.db2.gz KLCJGWNXTJVLJR-AWEZNQCLSA-N 2 0 325.457 -0.209 20 0 EBADRP C[N@@H+](CC(N)=O)C[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001366883802 1133340613 /nfs/dbraw/zinc/34/06/13/1133340613.db2.gz XUBIVSWKXWBYBS-ZDUSSCGKSA-N 2 0 326.441 -0.637 20 0 EBADRP CC(C)[C@H](C(=O)NCC1C[NH+](C[C@@H](O)Cn2cccn2)C1)[NH+](C)C ZINC001366983350 1133402022 /nfs/dbraw/zinc/40/20/22/1133402022.db2.gz AVWVOMSTQXXTKT-HZPDHXFCSA-N 2 0 337.468 -0.122 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@@H](O)Cn1cccn1 ZINC001367003947 1133418297 /nfs/dbraw/zinc/41/82/97/1133418297.db2.gz NYPPPXHQQXUBSH-HRCADAONSA-N 2 0 335.452 -0.129 20 0 EBADRP CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001367124526 1133481987 /nfs/dbraw/zinc/48/19/87/1133481987.db2.gz AVBPKMJXKYNUGX-CYBMUJFWSA-N 2 0 338.456 -0.175 20 0 EBADRP C[C@H]([NH2+]C[C@](C)(NC(=O)C[NH+]1CCCC1)C1CC1)C(=O)NC(N)=O ZINC001367244599 1133513094 /nfs/dbraw/zinc/51/30/94/1133513094.db2.gz SFXZWSYBTLDXLQ-ZBEGNZNMSA-N 2 0 339.440 -0.460 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001367249422 1133515043 /nfs/dbraw/zinc/51/50/43/1133515043.db2.gz RSCYUUYARFNBSH-OLZOCXBDSA-N 2 0 341.456 -0.343 20 0 EBADRP Cc1c(C(=O)NC[C@H](C)C[NH2+]CC(=O)NC(N)=O)ccc2c[nH+]cn21 ZINC001367258620 1133517532 /nfs/dbraw/zinc/51/75/32/1133517532.db2.gz ZVYDTCABYRXVRS-SNVBAGLBSA-N 2 0 346.391 -0.207 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001367293240 1133528609 /nfs/dbraw/zinc/52/86/09/1133528609.db2.gz PMXCDWDZBJDLGN-OLZOCXBDSA-N 2 0 328.457 -0.426 20 0 EBADRP Cn1[nH]c(C[NH2+]C2(CNC(=O)CCC[NH+](C)C)CCCC2)nc1=O ZINC001367325537 1133550949 /nfs/dbraw/zinc/55/09/49/1133550949.db2.gz IGAATTHIIMEAIE-UHFFFAOYSA-N 2 0 338.456 -0.031 20 0 EBADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001367433769 1133588473 /nfs/dbraw/zinc/58/84/73/1133588473.db2.gz FKTFOGRTVNWUSF-NEPJUHHUSA-N 2 0 339.440 -0.508 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1 ZINC001367454265 1133594045 /nfs/dbraw/zinc/59/40/45/1133594045.db2.gz XSAKHJBGKMFVQC-CHWSQXEVSA-N 2 0 338.456 -0.223 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC(=O)NC(N)=O)C1 ZINC001367553106 1133626032 /nfs/dbraw/zinc/62/60/32/1133626032.db2.gz GJQFYOIBUFWMDC-OLZOCXBDSA-N 2 0 339.440 -0.554 20 0 EBADRP CCC(C)(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001367576256 1133643532 /nfs/dbraw/zinc/64/35/32/1133643532.db2.gz GRNGCYFAFGBELY-OLZOCXBDSA-N 2 0 328.457 -0.548 20 0 EBADRP CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCCCC1)C(N)=O ZINC001367579199 1133647158 /nfs/dbraw/zinc/64/71/58/1133647158.db2.gz JHVZGGIQYUWOPH-CHWSQXEVSA-N 2 0 328.457 -0.419 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cnnn2CC)CC[N@@H+]1C ZINC001367585533 1133654972 /nfs/dbraw/zinc/65/49/72/1133654972.db2.gz GEZGLDHLTIETSG-SOUVJXGZSA-N 2 0 338.456 -0.405 20 0 EBADRP COc1ncccc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001367588122 1133658274 /nfs/dbraw/zinc/65/82/74/1133658274.db2.gz ZFHWUYVXFQIZFG-HOTGVXAUSA-N 2 0 348.447 -0.001 20 0 EBADRP Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)C2(C[NH+](C)C)CC2)cc1=O ZINC001367597818 1133673689 /nfs/dbraw/zinc/67/36/89/1133673689.db2.gz CADLLLJEBNEMHG-CQSZACIVSA-N 2 0 336.436 -0.706 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC1CCCC1 ZINC001367602949 1133679850 /nfs/dbraw/zinc/67/98/50/1133679850.db2.gz IWTQNQZUQFFAEY-UONOGXRCSA-N 2 0 326.441 -0.794 20 0 EBADRP CN(CC1CC1)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001367607894 1133687783 /nfs/dbraw/zinc/68/77/83/1133687783.db2.gz NIJCAHRKUJFMRS-GJZGRUSLSA-N 2 0 340.468 -0.594 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccn(C)c(=O)c1)[NH+](C)C ZINC001367618346 1133700755 /nfs/dbraw/zinc/70/07/55/1133700755.db2.gz CYWQNWYSBFJGJQ-GDBMZVCRSA-N 2 0 338.452 -0.462 20 0 EBADRP CC1CCN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001367623359 1133709572 /nfs/dbraw/zinc/70/95/72/1133709572.db2.gz KEEKIHBNCAQOIE-LSDHHAIUSA-N 2 0 340.468 -0.737 20 0 EBADRP C[C@H](C[NH2+]CC1(CS(C)(=O)=O)CC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001367690725 1133748079 /nfs/dbraw/zinc/74/80/79/1133748079.db2.gz WGHNTEHTXBKMLQ-CHWSQXEVSA-N 2 0 331.482 0.000 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001367704203 1133753722 /nfs/dbraw/zinc/75/37/22/1133753722.db2.gz ORATXPBLMVYRMI-CYBMUJFWSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001367734591 1133764394 /nfs/dbraw/zinc/76/43/94/1133764394.db2.gz LVGODFARLMMAPZ-NSHDSACASA-N 2 0 327.429 -0.460 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001367735517 1133764695 /nfs/dbraw/zinc/76/46/95/1133764695.db2.gz IDJSNALDNJUPQP-OLZOCXBDSA-N 2 0 341.456 -0.199 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C ZINC001367751810 1133771133 /nfs/dbraw/zinc/77/11/33/1133771133.db2.gz CLLDVDLLPCWXDK-RYUDHWBXSA-N 2 0 329.445 -0.345 20 0 EBADRP C[C@H](C[N@H+](C)CCN1CCNC1=O)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001367812816 1133795649 /nfs/dbraw/zinc/79/56/49/1133795649.db2.gz CRRDVYBLLMSBCF-KGLIPLIRSA-N 2 0 325.457 -0.068 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCN2C(=O)CC[NH+](C)C)CCO1 ZINC001368111290 1133943052 /nfs/dbraw/zinc/94/30/52/1133943052.db2.gz VHERMXXPORXDQP-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CC[C@H](C(=O)NC[C@H]1CC2(CO1)CC[NH+](CC(N)=O)CC2)[NH+](C)C ZINC001368125663 1133950745 /nfs/dbraw/zinc/95/07/45/1133950745.db2.gz CMHNAUJURAKDCE-ZIAGYGMSSA-N 2 0 340.468 -0.201 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCN([C@@H]2CC[NH+](CC(=O)NC)C2)CC1 ZINC001368151620 1133962871 /nfs/dbraw/zinc/96/28/71/1133962871.db2.gz YRMJHTJQWHSUEB-OAHLLOKOSA-N 2 0 339.484 -0.707 20 0 EBADRP CCN1CC[C@H]([N@@H+]2CC[C@@](O)(CNC(=O)C[NH+](C)C(C)C)C2)C1=O ZINC001368276886 1134088270 /nfs/dbraw/zinc/08/82/70/1134088270.db2.gz QMUNUCRMCJHPDQ-WMLDXEAASA-N 2 0 340.468 -0.500 20 0 EBADRP COC[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001368279753 1134093628 /nfs/dbraw/zinc/09/36/28/1134093628.db2.gz ZWOZLYLQZYCEJU-NVXWUHKLSA-N 2 0 343.468 -0.577 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCCN1CCC([NH2+]CC(N)=O)CC1 ZINC001368373449 1134178720 /nfs/dbraw/zinc/17/87/20/1134178720.db2.gz YOQGRYLVBQZODA-HNNXBMFYSA-N 2 0 339.484 -0.484 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+][C@H]1CCCNC1=O ZINC001368393297 1134195726 /nfs/dbraw/zinc/19/57/26/1134195726.db2.gz CUNAHDDPJWCAKB-LSDHHAIUSA-N 2 0 340.468 -0.450 20 0 EBADRP CN1CCC[C@H]([NH2+]CCN(CCO)C(=O)C2([NH+](C)C)CCC2)C1=O ZINC001368394418 1134197267 /nfs/dbraw/zinc/19/72/67/1134197267.db2.gz GUVDUFQWOVWIDB-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCO[C@H](C[NH2+]CC(=O)N2CCCC2)C1 ZINC001368504140 1134256810 /nfs/dbraw/zinc/25/68/10/1134256810.db2.gz JIAHZVIRNYTWQL-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCO[C@@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001368507273 1134260192 /nfs/dbraw/zinc/26/01/92/1134260192.db2.gz PNQGJYMNXVJOQJ-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001368508922 1134262433 /nfs/dbraw/zinc/26/24/33/1134262433.db2.gz HAABOLWTSGAGPP-HZPDHXFCSA-N 2 0 343.468 -0.313 20 0 EBADRP CC[C@@H](C)NC(=O)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001368517950 1134270272 /nfs/dbraw/zinc/27/02/72/1134270272.db2.gz SCEFALONVDXECE-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]([NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1)C(N)=O ZINC001368523339 1134273916 /nfs/dbraw/zinc/27/39/16/1134273916.db2.gz XQBFBCCPBRCDOJ-CABCVRRESA-N 2 0 340.468 -0.057 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@H](O)Cn3cccn3)C2)C1 ZINC001368534901 1134279413 /nfs/dbraw/zinc/27/94/13/1134279413.db2.gz FJNXICHBARVJBP-WCVJEAGWSA-N 2 0 335.452 -0.320 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001368562564 1134291328 /nfs/dbraw/zinc/29/13/28/1134291328.db2.gz SDYYRXWOAQQRNE-OLZOCXBDSA-N 2 0 341.456 -0.308 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001368575017 1134299317 /nfs/dbraw/zinc/29/93/17/1134299317.db2.gz SNLRIQLJVOAWLG-JHJVBQTASA-N 2 0 339.440 -0.460 20 0 EBADRP C[NH+]1CCC(CC(=O)N2CCC[C@@](CO)([NH2+]CC(N)=O)C2)CC1 ZINC001368621441 1134333100 /nfs/dbraw/zinc/33/31/00/1134333100.db2.gz KJMAHIPWNFIFTO-MRXNPFEDSA-N 2 0 326.441 -0.853 20 0 EBADRP C[C@@H]([NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1)C(N)=O ZINC001368630618 1134342374 /nfs/dbraw/zinc/34/23/74/1134342374.db2.gz UHABCYJUROUOMP-JHJVBQTASA-N 2 0 326.441 -0.545 20 0 EBADRP CC(C)NC(=O)C[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCOCC1 ZINC001368633548 1134345961 /nfs/dbraw/zinc/34/59/61/1134345961.db2.gz LMXKIUMSMQBQIR-UHFFFAOYSA-N 2 0 340.468 -0.138 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2(C[NH2+]CC(=O)NC3CC3)CCOCC2)C1 ZINC001368639725 1134349882 /nfs/dbraw/zinc/34/98/82/1134349882.db2.gz ZTHGNXICRMEWGA-ZDUSSCGKSA-N 2 0 338.452 -0.528 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2(C[NH2+]CC(=O)NC3CC3)CCOCC2)C1 ZINC001368639721 1134350217 /nfs/dbraw/zinc/35/02/17/1134350217.db2.gz ZTHGNXICRMEWGA-CYBMUJFWSA-N 2 0 338.452 -0.528 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1)C(=O)NC(N)=O ZINC001368644611 1134351575 /nfs/dbraw/zinc/35/15/75/1134351575.db2.gz ROUXFJFNTJLJHH-FRRDWIJNSA-N 2 0 339.440 -0.460 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]CC(=O)NC(N)=O)CC1 ZINC001368659628 1134361179 /nfs/dbraw/zinc/36/11/79/1134361179.db2.gz BDIPOIUGGPFKHQ-UHFFFAOYSA-N 2 0 327.429 -0.506 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CC(=O)N2CCC2)CC1 ZINC001368678579 1134375954 /nfs/dbraw/zinc/37/59/54/1134375954.db2.gz KCCAYRVQSYJBKF-AWEZNQCLSA-N 2 0 338.452 -0.744 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCC(O)(C[NH2+]CC(=O)N(C)C)CC1)[NH+](C)C ZINC001368682901 1134380235 /nfs/dbraw/zinc/38/02/35/1134380235.db2.gz OJRRFGUQYIDWCA-HNNXBMFYSA-N 2 0 342.484 -0.396 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(O)(C[NH2+][C@H](C)C(N)=O)CC1 ZINC001368689294 1134389520 /nfs/dbraw/zinc/38/95/20/1134389520.db2.gz QWADEDMUVIWHIA-KGLIPLIRSA-N 2 0 340.468 -0.322 20 0 EBADRP C[NH+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]CC(=O)N1CCOCC1 ZINC001368775282 1134435097 /nfs/dbraw/zinc/43/50/97/1134435097.db2.gz QVKKMOZVVSJDEP-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001368846030 1134464169 /nfs/dbraw/zinc/46/41/69/1134464169.db2.gz SBYWYRRATJAYHR-KBPBESRZSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H]([NH2+]CC(=O)NC1CC1)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001369149419 1134593982 /nfs/dbraw/zinc/59/39/82/1134593982.db2.gz LBTBAKJODSGFFN-OCCSQVGLSA-N 2 0 326.441 -0.578 20 0 EBADRP C[C@H]([NH2+]CCN1CCCC1=O)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001369152584 1134595359 /nfs/dbraw/zinc/59/53/59/1134595359.db2.gz PDTZJOUTMZAGMF-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1)C(=O)NC(N)=O ZINC001369168521 1134604128 /nfs/dbraw/zinc/60/41/28/1134604128.db2.gz KSFPKBFVFXZDRA-FIQHERPVSA-N 2 0 325.413 -0.852 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001369180398 1134608288 /nfs/dbraw/zinc/60/82/88/1134608288.db2.gz OLEGIOQBWWJVCW-AAVRWANBSA-N 2 0 326.441 -0.687 20 0 EBADRP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C1)C(N)=O ZINC001369179774 1134608711 /nfs/dbraw/zinc/60/87/11/1134608711.db2.gz XUIKVNZTYHBVOK-JHJVBQTASA-N 2 0 326.441 -0.545 20 0 EBADRP CN(C(=O)CC[NH+](C)C)[C@@H](C[NH2+]CC(=O)N1CCOCC1)C1CC1 ZINC001369213048 1134618708 /nfs/dbraw/zinc/61/87/08/1134618708.db2.gz LOCHRIYIFXUGIC-HNNXBMFYSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N1CCOCC1 ZINC001369241813 1134626446 /nfs/dbraw/zinc/62/64/46/1134626446.db2.gz VMUXBPMOIGWWGE-KGLIPLIRSA-N 2 0 326.441 -0.624 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001369266092 1134635031 /nfs/dbraw/zinc/63/50/31/1134635031.db2.gz UKLZLOKNOBYMNX-ZIAGYGMSSA-N 2 0 342.484 -0.084 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001369277814 1134638349 /nfs/dbraw/zinc/63/83/49/1134638349.db2.gz PCCANELFOWXVTM-RYUDHWBXSA-N 2 0 329.445 -0.391 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001369278343 1134639070 /nfs/dbraw/zinc/63/90/70/1134639070.db2.gz QMTCQDNYNVNMEA-GFCCVEGCSA-N 2 0 341.456 -0.390 20 0 EBADRP C[C@H]([NH2+][C@@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2)C(=O)N(C)C ZINC001369330017 1134672985 /nfs/dbraw/zinc/67/29/85/1134672985.db2.gz MWKSJIUIFGZHIS-UONOGXRCSA-N 2 0 340.468 -0.594 20 0 EBADRP CN1CC[C@H]([NH2+][C@H](CO)CNC(=O)c2ccc(C[NH+](C)C)cc2)C1=O ZINC001369363489 1134716685 /nfs/dbraw/zinc/71/66/85/1134716685.db2.gz MAFWJJCQYLNHQW-HOTGVXAUSA-N 2 0 348.447 -0.341 20 0 EBADRP C[NH+](C)Cc1ccc(C(=O)NC[C@@H](CO)[NH2+][C@H]2CCNC2=O)cc1 ZINC001369367273 1134722648 /nfs/dbraw/zinc/72/26/48/1134722648.db2.gz XZYKRXHACJNMMP-GJZGRUSLSA-N 2 0 334.420 -0.683 20 0 EBADRP CC(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)CC1CC[NH+](C)CC1 ZINC001369367924 1134723583 /nfs/dbraw/zinc/72/35/83/1134723583.db2.gz ZHHVXOLXYVUKGW-AWEZNQCLSA-N 2 0 328.457 -0.690 20 0 EBADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H](CO)[NH2+][C@H]2CCNC2=O)c1 ZINC001369373641 1134730190 /nfs/dbraw/zinc/73/01/90/1134730190.db2.gz LRMMPHDQNQCTRT-CABCVRRESA-N 2 0 334.420 -0.683 20 0 EBADRP CNC(=O)c1cccc(C[NH2+][C@H](CO)CNC(=O)C[NH+]2CCCC2)c1 ZINC001369383417 1134745322 /nfs/dbraw/zinc/74/53/22/1134745322.db2.gz NXARARNRRCINPF-INIZCTEOSA-N 2 0 348.447 -0.291 20 0 EBADRP C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+](C)C)C(=O)NC(C)(C)C ZINC001369478624 1134842166 /nfs/dbraw/zinc/84/21/66/1134842166.db2.gz ALLPFCMTBIMRFL-QWHCGFSZSA-N 2 0 330.473 -0.350 20 0 EBADRP CN(C[C@@H](O)C[NH2+]Cc1ccc(C(N)=O)cc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369479062 1134842574 /nfs/dbraw/zinc/84/25/74/1134842574.db2.gz DPOVYLNBUDJHPO-CVEARBPZSA-N 2 0 348.447 -0.354 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001369480529 1134846782 /nfs/dbraw/zinc/84/67/82/1134846782.db2.gz OGTLJJJGYZXPBI-ZIAGYGMSSA-N 2 0 328.457 -0.785 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001369484925 1134854439 /nfs/dbraw/zinc/85/44/39/1134854439.db2.gz QPIHNBKDZBNKGE-UONOGXRCSA-N 2 0 342.484 -0.348 20 0 EBADRP CCN1CC[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)C23CC[NH+](CC2)C3)C1=O ZINC001369489592 1134862212 /nfs/dbraw/zinc/86/22/12/1134862212.db2.gz XRTXVMKZZOGHQN-ZIAGYGMSSA-N 2 0 338.452 -0.888 20 0 EBADRP C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+]1CCCCC1)C(=O)N(C)C ZINC001369490459 1134864639 /nfs/dbraw/zinc/86/46/39/1134864639.db2.gz PLCWOLFHOUMVRH-LSDHHAIUSA-N 2 0 342.484 -0.252 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)C1CC([NH2+]CCN2CCNC2=O)C1 ZINC001369577846 1134946608 /nfs/dbraw/zinc/94/66/08/1134946608.db2.gz KEUJXVWSEOHCST-UHFFFAOYSA-N 2 0 325.457 -0.068 20 0 EBADRP CCS(=O)(=O)NCCN1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001369988997 1135141488 /nfs/dbraw/zinc/14/14/88/1135141488.db2.gz VWGTVGAWYZRNLZ-CYBMUJFWSA-N 2 0 346.497 -0.400 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC(=O)Nc1cnccn1)C1CC1 ZINC001370151323 1135225875 /nfs/dbraw/zinc/22/58/75/1135225875.db2.gz QOXNWTUXNBOIFH-KBPBESRZSA-N 2 0 346.435 -0.006 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]([NH2+]CC(=O)N1CCOCC1)C1CC1 ZINC001370210580 1135251497 /nfs/dbraw/zinc/25/14/97/1135251497.db2.gz DLTPOANZMXFRSH-CQSZACIVSA-N 2 0 326.441 -0.719 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]([NH2+]CC(=O)NC(N)=O)C2CC2)C1 ZINC001370257316 1135272201 /nfs/dbraw/zinc/27/22/01/1135272201.db2.gz QJNSRPOARDRIKQ-PWSUYJOCSA-N 2 0 325.413 -0.993 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001370459599 1135359468 /nfs/dbraw/zinc/35/94/68/1135359468.db2.gz QSYMVYWTOCSUFC-LPWJVIDDSA-N 2 0 339.440 -0.321 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1)C(=O)NC(N)=O ZINC001370485121 1135370813 /nfs/dbraw/zinc/37/08/13/1135370813.db2.gz QHJNLIAVGSZYNB-FDYHWXHSSA-N 2 0 339.440 -0.319 20 0 EBADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)[NH+](C)C ZINC001370547128 1135403367 /nfs/dbraw/zinc/40/33/67/1135403367.db2.gz JUNNRXCVWWSFIY-XDQVBPFNSA-N 2 0 331.482 -0.002 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@@H](CO)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001370710353 1135531379 /nfs/dbraw/zinc/53/13/79/1135531379.db2.gz WVALWKJPRNOECP-LSDHHAIUSA-N 2 0 338.452 -0.983 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H](CO)CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001370728720 1135557409 /nfs/dbraw/zinc/55/74/09/1135557409.db2.gz JXWKYCYUHPLOFE-KGLIPLIRSA-N 2 0 340.468 -0.594 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@@H](CO)NC(=O)C2CC[NH+](C)CC2)CCC1 ZINC001370739121 1135573054 /nfs/dbraw/zinc/57/30/54/1135573054.db2.gz ZAZMSZUIMIZMCE-AWEZNQCLSA-N 2 0 340.468 -0.594 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H](CO)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001370756455 1135598391 /nfs/dbraw/zinc/59/83/91/1135598391.db2.gz HGYSIOUXWCUNSM-AWEZNQCLSA-N 2 0 347.419 -0.117 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)CC1CC[NH+](C)CC1 ZINC001370758221 1135600566 /nfs/dbraw/zinc/60/05/66/1135600566.db2.gz JVPITRGCONTLLL-LSDHHAIUSA-N 2 0 340.468 -0.594 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[NH+]1C ZINC001370760859 1135604625 /nfs/dbraw/zinc/60/46/25/1135604625.db2.gz NKRDACHZVPRDAX-CHWSQXEVSA-N 2 0 328.457 -0.596 20 0 EBADRP CC(C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CC(=O)NC(N)=O)[NH+](C)C ZINC001370964441 1135715257 /nfs/dbraw/zinc/71/52/57/1135715257.db2.gz OTKOBWDHXWCPEP-GXTWGEPZSA-N 2 0 341.456 -0.262 20 0 EBADRP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001370966081 1135715801 /nfs/dbraw/zinc/71/58/01/1135715801.db2.gz DQJGJAMOGNCWKZ-OLZOCXBDSA-N 2 0 341.456 -0.390 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001370985458 1135736174 /nfs/dbraw/zinc/73/61/74/1135736174.db2.gz OJIAHKIFTURKDP-ZIAGYGMSSA-N 2 0 328.457 -0.642 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001371178442 1135857146 /nfs/dbraw/zinc/85/71/46/1135857146.db2.gz LLDXFOPXNQNVJD-DGCLKSJQSA-N 2 0 339.440 -0.732 20 0 EBADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001371197784 1135862837 /nfs/dbraw/zinc/86/28/37/1135862837.db2.gz CCIZPARZSVEWHT-CHWSQXEVSA-N 2 0 331.482 0.000 20 0 EBADRP CN1CCO[C@H](C(=O)N2CC[C@H]3CN(C(=O)CC[NH+](C)C)C[C@H]32)C1 ZINC001371434323 1135909312 /nfs/dbraw/zinc/90/93/12/1135909312.db2.gz LIOBURBYZDQWOG-ZNMIVQPWSA-N 2 0 338.452 -0.672 20 0 EBADRP Cc1nc[nH]c1CC(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001371476976 1135932167 /nfs/dbraw/zinc/93/21/67/1135932167.db2.gz KENGJRUIDSTLFV-ZIAGYGMSSA-N 2 0 337.424 -0.710 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@@H]1O ZINC001371528163 1135952974 /nfs/dbraw/zinc/95/29/74/1135952974.db2.gz GJDAAVYVUBTYRC-KGLIPLIRSA-N 2 0 328.457 -0.642 20 0 EBADRP CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O)[NH+](C)C ZINC001371537949 1135960818 /nfs/dbraw/zinc/96/08/18/1135960818.db2.gz PJNMUMGWEJWPTD-IJEWVQPXSA-N 2 0 342.484 -0.398 20 0 EBADRP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1O)[NH+](C)C ZINC001371539912 1135962220 /nfs/dbraw/zinc/96/22/20/1135962220.db2.gz AIHQTXQINQYSGH-RDBSUJKOSA-N 2 0 328.457 -0.644 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001371557465 1135970174 /nfs/dbraw/zinc/97/01/74/1135970174.db2.gz WUIZPWLWMUSYST-GJZGRUSLSA-N 2 0 340.468 -0.330 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001371627730 1135988677 /nfs/dbraw/zinc/98/86/77/1135988677.db2.gz XNKDQFZYPDKGSQ-CHWSQXEVSA-N 2 0 339.440 -0.778 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001371763608 1136015919 /nfs/dbraw/zinc/01/59/19/1136015919.db2.gz CHBVNJIXFDUTLW-CHWSQXEVSA-N 2 0 341.456 -0.199 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001371883806 1136047387 /nfs/dbraw/zinc/04/73/87/1136047387.db2.gz BKOBJVGZOAVGKS-CYBMUJFWSA-N 2 0 341.456 -0.198 20 0 EBADRP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C[C@H](O)CN1CCCC1=O ZINC001372477558 1136209325 /nfs/dbraw/zinc/20/93/25/1136209325.db2.gz QTSVNCUEYCSHGY-CABCVRRESA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001372726983 1136280974 /nfs/dbraw/zinc/28/09/74/1136280974.db2.gz NTBJHOHYOCJOEU-FOLVSLTJSA-N 2 0 334.464 -0.003 20 0 EBADRP C[N@@H+](CC(=O)NC(N)=O)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001373330079 1136429832 /nfs/dbraw/zinc/42/98/32/1136429832.db2.gz NGQFQGNVYYVWPZ-CYBMUJFWSA-N 2 0 339.440 -0.697 20 0 EBADRP COC[C@H](O)C[NH+]1CC(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001373552384 1136493703 /nfs/dbraw/zinc/49/37/03/1136493703.db2.gz LQURQEHPPHRBQP-UKRRQHHQSA-N 2 0 329.441 -0.990 20 0 EBADRP CN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001373680996 1136535659 /nfs/dbraw/zinc/53/56/59/1136535659.db2.gz QMDLEMPQMYVPHV-AWEZNQCLSA-N 2 0 325.457 -0.114 20 0 EBADRP CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CCN2CCNC2=O)C1)[NH+](C)C ZINC001373690915 1136538398 /nfs/dbraw/zinc/53/83/98/1136538398.db2.gz QULQVBUIVNYWSA-KBPBESRZSA-N 2 0 325.457 -0.116 20 0 EBADRP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]CC(=O)NC(N)=O ZINC001373805648 1136564159 /nfs/dbraw/zinc/56/41/59/1136564159.db2.gz JKJPRHZSBSBEJV-CHWSQXEVSA-N 2 0 341.456 -0.071 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001374026539 1136608810 /nfs/dbraw/zinc/60/88/10/1136608810.db2.gz NBRFUHCONIQNGN-YPMHNXCESA-N 2 0 329.445 -0.630 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001374110573 1136623810 /nfs/dbraw/zinc/62/38/10/1136623810.db2.gz SOMUHMMACNVESH-ZIAGYGMSSA-N 2 0 338.456 -0.375 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)NC(=O)NC1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001374271261 1136663435 /nfs/dbraw/zinc/66/34/35/1136663435.db2.gz LODWJRKOXGBCCT-WCQYABFASA-N 2 0 339.440 -0.495 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001374303742 1136670096 /nfs/dbraw/zinc/67/00/96/1136670096.db2.gz JNNFIPPQNHFSIZ-ZDUSSCGKSA-N 2 0 341.456 -0.390 20 0 EBADRP CC(C)C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001374354848 1136677920 /nfs/dbraw/zinc/67/79/20/1136677920.db2.gz TVAMVYZJOCVOJB-STQMWFEESA-N 2 0 341.456 -0.356 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001374378691 1136680434 /nfs/dbraw/zinc/68/04/34/1136680434.db2.gz APIVBTZBJJTWNG-OLZOCXBDSA-N 2 0 341.456 -0.390 20 0 EBADRP C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001374395670 1136682634 /nfs/dbraw/zinc/68/26/34/1136682634.db2.gz PMIOPSDRBMLJOQ-NEPJUHHUSA-N 2 0 327.429 -0.650 20 0 EBADRP CC(C)[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001374431931 1136686965 /nfs/dbraw/zinc/68/69/65/1136686965.db2.gz PRXDJPZPELDPAF-AAEUAGOBSA-N 2 0 341.456 -0.358 20 0 EBADRP CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001374433878 1136687388 /nfs/dbraw/zinc/68/73/88/1136687388.db2.gz LIHUJXDTWCDOBW-CHWSQXEVSA-N 2 0 338.456 -0.319 20 0 EBADRP NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001374606767 1136742157 /nfs/dbraw/zinc/74/21/57/1136742157.db2.gz TVPMPWNBULCYPE-OCCSQVGLSA-N 2 0 326.441 -0.807 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)C[NH2+]CC(=O)NC(C)(C)C ZINC001374617792 1136752469 /nfs/dbraw/zinc/75/24/69/1136752469.db2.gz WONPAWSONIHAGG-UONOGXRCSA-N 2 0 342.484 -0.158 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001374633970 1136764030 /nfs/dbraw/zinc/76/40/30/1136764030.db2.gz ASAUPMQMSXORKU-KBPBESRZSA-N 2 0 328.457 -0.596 20 0 EBADRP C[NH+](C)CC1(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C)CC1 ZINC001374635876 1136765302 /nfs/dbraw/zinc/76/53/02/1136765302.db2.gz JBKLNVPOQCACTI-LBPRGKRZSA-N 2 0 328.457 -0.690 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001374654242 1136778031 /nfs/dbraw/zinc/77/80/31/1136778031.db2.gz WZISULMWTYRIKL-CABCVRRESA-N 2 0 342.484 -0.158 20 0 EBADRP C[NH+](C)CCC(=O)N1CC(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001374658069 1136780734 /nfs/dbraw/zinc/78/07/34/1136780734.db2.gz CYHHEQDKQGLSLG-UHFFFAOYSA-N 2 0 336.440 -0.663 20 0 EBADRP CC1CC[NH+](CC(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCCC2)CC1 ZINC001374658655 1136781756 /nfs/dbraw/zinc/78/17/56/1136781756.db2.gz MNXXZDZVNZIMBR-OAHLLOKOSA-N 2 0 340.468 -0.593 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C)[NH+](C)C ZINC001374672433 1136791266 /nfs/dbraw/zinc/79/12/66/1136791266.db2.gz NCQGCOHDEOKTRO-JSGCOSHPSA-N 2 0 330.473 -0.446 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCCCC2)C1 ZINC001374674709 1136793442 /nfs/dbraw/zinc/79/34/42/1136793442.db2.gz JUIKTPGKOYJMBL-KGLIPLIRSA-N 2 0 326.441 -0.983 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCCCCC1 ZINC001374679998 1136796913 /nfs/dbraw/zinc/79/69/13/1136796913.db2.gz APLUVWKNERGLNZ-OAHLLOKOSA-N 2 0 342.484 -0.204 20 0 EBADRP O=C(CCC[NH+]1CCCCC1)NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001374685976 1136801293 /nfs/dbraw/zinc/80/12/93/1136801293.db2.gz RQHXMWHQCXGWCF-HUUCEWRRSA-N 2 0 340.468 -0.402 20 0 EBADRP CCN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001374687475 1136803345 /nfs/dbraw/zinc/80/33/45/1136803345.db2.gz ZZGKIDFYPDIIKO-TZMCWYRMSA-N 2 0 326.441 -0.984 20 0 EBADRP CCN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001374721540 1136813891 /nfs/dbraw/zinc/81/38/91/1136813891.db2.gz DINCUVOXVWDHCH-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP CC(C)[C@H](C(=O)NC1CN(C(=O)[C@@H]2CN(C)CCO2)C1)[NH+](C)C ZINC001374758630 1136824040 /nfs/dbraw/zinc/82/40/40/1136824040.db2.gz SXRRJCUMFINNLK-UONOGXRCSA-N 2 0 326.441 -0.770 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001374773009 1136828519 /nfs/dbraw/zinc/82/85/19/1136828519.db2.gz UKRTYPHIDLUGPD-DGCLKSJQSA-N 2 0 339.440 -0.317 20 0 EBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000643558753 375902340 /nfs/dbraw/zinc/90/23/40/375902340.db2.gz XLQGIJFCGIGTRP-BFHYXJOUSA-N 2 0 326.441 -0.498 20 0 EBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000643570003 375909139 /nfs/dbraw/zinc/90/91/39/375909139.db2.gz YGRAMSVCLLCKFH-OAHLLOKOSA-N 2 0 331.420 -0.059 20 0 EBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)CCO1 ZINC000642780497 376119276 /nfs/dbraw/zinc/11/92/76/376119276.db2.gz HXSVNJFIZXMBHP-CJNGLKHVSA-N 2 0 348.447 -0.061 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000642758111 376081880 /nfs/dbraw/zinc/08/18/80/376081880.db2.gz INDLQXKOGDCAOA-HUUCEWRRSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@H]([NH3+])CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000642793137 376188212 /nfs/dbraw/zinc/18/82/12/376188212.db2.gz KBHYGWSXBRQDLJ-LBPRGKRZSA-N 2 0 328.482 -0.072 20 0 EBADRP CN(C[C@H]1CCCOC1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000556795345 376142091 /nfs/dbraw/zinc/14/20/91/376142091.db2.gz FMHKUADJAMTOPW-OAHLLOKOSA-N 2 0 342.484 -0.177 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CCO1 ZINC000642787612 376149262 /nfs/dbraw/zinc/14/92/62/376149262.db2.gz BOIXNDKYKWAAOA-UONOGXRCSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])C(C)(C)C[NH+](C)C ZINC000557292603 376169869 /nfs/dbraw/zinc/16/98/69/376169869.db2.gz WQABBQVEPHNCET-OLZOCXBDSA-N 2 0 327.473 -0.820 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000584187468 376218040 /nfs/dbraw/zinc/21/80/40/376218040.db2.gz INKFBSPZZWVXRN-UHFFFAOYSA-N 2 0 328.457 -0.377 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@H]1CCCOC1 ZINC000625465237 376232891 /nfs/dbraw/zinc/23/28/91/376232891.db2.gz LJVNTCTXLKYWPG-OAHLLOKOSA-N 2 0 342.484 -0.129 20 0 EBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCO1 ZINC000642801644 376297285 /nfs/dbraw/zinc/29/72/85/376297285.db2.gz PJHPXRAQJYASPT-YPMHNXCESA-N 2 0 340.468 -0.014 20 0 EBADRP CC(C)[NH+](CCNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000642855574 376430689 /nfs/dbraw/zinc/43/06/89/376430689.db2.gz XGWYRWGXKFLLIP-ZIAGYGMSSA-N 2 0 328.457 -0.204 20 0 EBADRP CN1CCN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)[C@@H](C[NH3+])C1 ZINC000569457956 376438247 /nfs/dbraw/zinc/43/82/47/376438247.db2.gz VRRTUWPYJUEDBY-AWEZNQCLSA-N 2 0 339.484 -0.674 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)C[NH+]1CCCC1 ZINC000642886787 376451309 /nfs/dbraw/zinc/45/13/09/376451309.db2.gz DTEKAOLLDSHLNW-RDBSUJKOSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@H](C[NH2+]C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000575116727 376525519 /nfs/dbraw/zinc/52/55/19/376525519.db2.gz KLTYYWHJWHQBRI-OWSLCNJRSA-N 2 0 342.528 -0.070 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000079049435 376793035 /nfs/dbraw/zinc/79/30/35/376793035.db2.gz RJJJKAHEWYVLFZ-ZDUSSCGKSA-N 2 0 325.457 -0.116 20 0 EBADRP C[C@H]1C[NH+](CC2CCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)C[C@H](C)O1 ZINC000561256700 376823919 /nfs/dbraw/zinc/82/39/19/376823919.db2.gz BOXUJEIJKLVOOH-STQMWFEESA-N 2 0 338.452 -0.578 20 0 EBADRP C[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000158357218 376940574 /nfs/dbraw/zinc/94/05/74/376940574.db2.gz BZBCLYMSAJKFAD-CYBMUJFWSA-N 2 0 325.457 -0.033 20 0 EBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CC2)C1=O ZINC000408472069 376943661 /nfs/dbraw/zinc/94/36/61/376943661.db2.gz UFPYOXOGDXGIFV-CVEARBPZSA-N 2 0 349.479 -0.812 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCn2c3ccccc3oc2=O)CC1 ZINC000564563939 377049950 /nfs/dbraw/zinc/04/99/50/377049950.db2.gz KOWMPNSPFMESCU-AWEZNQCLSA-N 2 0 334.420 -0.208 20 0 EBADRP C[C@H](C(=O)NC[C@H](NC(=O)[C@@H](C)[NH+](C)C)c1cnn(C)c1)[NH+](C)C ZINC000635726909 377114500 /nfs/dbraw/zinc/11/45/00/377114500.db2.gz YLROJFUVVRPNPE-BZPMIXESSA-N 2 0 338.456 -0.406 20 0 EBADRP C[NH+]1CCCC[C@H]1C(=O)N[C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635794769 377122941 /nfs/dbraw/zinc/12/29/41/377122941.db2.gz DEOIULLQIGRSJG-KKUMJFAQSA-N 2 0 340.468 -0.452 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000572712889 377065196 /nfs/dbraw/zinc/06/51/96/377065196.db2.gz JHOGZRJVKYHXIT-LSDHHAIUSA-N 2 0 340.468 -0.247 20 0 EBADRP O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000572643324 377234917 /nfs/dbraw/zinc/23/49/17/377234917.db2.gz RGQAJDUXJGGRKL-KGLIPLIRSA-N 2 0 347.415 -0.310 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000636255778 377265521 /nfs/dbraw/zinc/26/55/21/377265521.db2.gz NNRVCJGGBURMNK-AWEZNQCLSA-N 2 0 340.468 -0.199 20 0 EBADRP CC[C@@H]1CN(C(=O)NC[C@H]2C[NH+](C)CCN2C)CC[N@@H+]1C[C@H](C)O ZINC000332876310 377333070 /nfs/dbraw/zinc/33/30/70/377333070.db2.gz SSWOGMZUOFZDBI-XHSDSOJGSA-N 2 0 341.500 -0.281 20 0 EBADRP COCC[N@H+](C)C[C@H](O)CN1CCN(CC(=O)N2CCCC2)CC1 ZINC000570902821 377297018 /nfs/dbraw/zinc/29/70/18/377297018.db2.gz QLXITEDNUFSPLA-INIZCTEOSA-N 2 0 342.484 -0.835 20 0 EBADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000580205155 377397945 /nfs/dbraw/zinc/39/79/45/377397945.db2.gz TXWZAXNSXLDCAC-KRWDZBQOSA-N 2 0 326.485 -0.167 20 0 EBADRP COCC(C)(C)[NH+]1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000580063734 377348502 /nfs/dbraw/zinc/34/85/02/377348502.db2.gz IDAGCSVWXXGGLP-UHFFFAOYSA-N 2 0 327.473 -0.356 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627366982 377412778 /nfs/dbraw/zinc/41/27/78/377412778.db2.gz HJNVITHZZPOKAM-GXTWGEPZSA-N 2 0 326.441 -0.530 20 0 EBADRP C[NH+]1CCN(c2cc(C[NH2+]C[C@@H](O)CN3CCOCC3)ccn2)CC1 ZINC000562988511 377414423 /nfs/dbraw/zinc/41/44/23/377414423.db2.gz OYDVURXEYZDCTH-QGZVFWFLSA-N 2 0 349.479 -0.384 20 0 EBADRP C[NH+]1CCC(N2CCC([NH2+]C[C@@H](O)CN3CCOCC3)CC2)CC1 ZINC000562989715 377414553 /nfs/dbraw/zinc/41/45/53/377414553.db2.gz QQNDSXVBEAIKEQ-GOSISDBHSA-N 2 0 340.512 -0.172 20 0 EBADRP CN1CC[NH+](CC2(C)CC[NH+](CC(=O)N3CCNC3=O)CC2)CC1 ZINC000363804971 377489509 /nfs/dbraw/zinc/48/95/09/377489509.db2.gz WWEPILKHDKQJKD-UHFFFAOYSA-N 2 0 337.468 -0.112 20 0 EBADRP COC(=O)[C@@H]1C[N@@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C[C@H]1C ZINC000592442226 377833762 /nfs/dbraw/zinc/83/37/62/377833762.db2.gz KDRKCBDSOZTWBA-UPJWGTAASA-N 2 0 325.409 -0.194 20 0 EBADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCC(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000592984049 377866497 /nfs/dbraw/zinc/86/64/97/377866497.db2.gz DYXVXKSHEFGKOM-QGZVFWFLSA-N 3 0 337.512 -0.091 20 0 EBADRP CCN1C(=O)CO[C@H](C(=O)NCCN2CCC2)[C@H]1c1nccn1C ZINC000626241450 378327056 /nfs/dbraw/zinc/32/70/56/378327056.db2.gz PZNDEXPMPDUEHB-KBPBESRZSA-N 2 0 335.408 -0.470 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000636797989 378400067 /nfs/dbraw/zinc/40/00/67/378400067.db2.gz FRIMKYZOJASFDE-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H](CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)C[NH+]1CCN(C)CC1 ZINC000636850299 378415614 /nfs/dbraw/zinc/41/56/14/378415614.db2.gz ZBPKBNIQVRIHNI-LSDHHAIUSA-N 2 0 327.473 -0.764 20 0 EBADRP C[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000604643473 378466961 /nfs/dbraw/zinc/46/69/61/378466961.db2.gz MMBPYIVSEZSDQW-JKSUJKDBSA-N 2 0 339.484 -0.214 20 0 EBADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1=O ZINC000365415970 378528084 /nfs/dbraw/zinc/52/80/84/378528084.db2.gz SGRKJKYIJBOVSC-QLFBSQMISA-N 2 0 338.452 -0.624 20 0 EBADRP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CCOCC[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000571013291 378753969 /nfs/dbraw/zinc/75/39/69/378753969.db2.gz PUXAQAVGSSXYCL-KPWCQOOUSA-N 2 0 326.441 -0.769 20 0 EBADRP COCCO[C@@H]1C[C@H](CO)C[N@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000338342185 378760924 /nfs/dbraw/zinc/76/09/24/378760924.db2.gz HLIBCPZHKOJCBQ-JKSUJKDBSA-N 2 0 343.468 -0.504 20 0 EBADRP CC[NH+](CC)CCNC(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000339583030 378954976 /nfs/dbraw/zinc/95/49/76/378954976.db2.gz SRCORBGDSVACFU-UHFFFAOYSA-N 2 0 328.457 -0.735 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NC2CC[NH+](C)CC2)CCCO1 ZINC000339635368 378963413 /nfs/dbraw/zinc/96/34/13/378963413.db2.gz WOBJACHKWHLJGA-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[NH+]1CCC(NC(=O)C(=O)N(CCOC)CC[NH+](C)C)CC1 ZINC000339672447 378970445 /nfs/dbraw/zinc/97/04/45/378970445.db2.gz XDXWBTVYFQVSMB-UHFFFAOYSA-N 2 0 328.457 -0.377 20 0 EBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)NCCc3cn4ccccc4n3)CCN2C1=O ZINC000563457255 379028624 /nfs/dbraw/zinc/02/86/24/379028624.db2.gz KWEGYDCVFQDOIX-KBPBESRZSA-N 2 0 342.403 -0.170 20 0 EBADRP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+](C)CCOCC[NH3+] ZINC000629577303 379053088 /nfs/dbraw/zinc/05/30/88/379053088.db2.gz GIJGRIKKKYRUAR-AWEZNQCLSA-N 2 0 336.440 -0.579 20 0 EBADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CC1=O ZINC000452793208 379099104 /nfs/dbraw/zinc/09/91/04/379099104.db2.gz HHPDTRNWFOZVRJ-CABCVRRESA-N 2 0 340.468 -0.641 20 0 EBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)CCOCC[NH2+]C)C1 ZINC000629787680 379132643 /nfs/dbraw/zinc/13/26/43/379132643.db2.gz IYEKEFNLAUSEAI-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000629788729 379133675 /nfs/dbraw/zinc/13/36/75/379133675.db2.gz UAGGQPOPVRGUJK-UHFFFAOYSA-N 2 0 340.468 -0.232 20 0 EBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000629816774 379157363 /nfs/dbraw/zinc/15/73/63/379157363.db2.gz JCVLOPZANVKBAK-CQSZACIVSA-N 2 0 338.452 -0.351 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000629796059 379138005 /nfs/dbraw/zinc/13/80/05/379138005.db2.gz OJKRGJXKMKLLMK-HNNXBMFYSA-N 2 0 339.484 -0.580 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCOCC[NH2+]C)[C@H](C)C1 ZINC000629798161 379141177 /nfs/dbraw/zinc/14/11/77/379141177.db2.gz ISMFGUGOWQJNHN-CABCVRRESA-N 2 0 342.484 -0.131 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000629800188 379142684 /nfs/dbraw/zinc/14/26/84/379142684.db2.gz PYWHOZJBGCFQNQ-UONOGXRCSA-N 2 0 326.441 -0.637 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000629804318 379148874 /nfs/dbraw/zinc/14/88/74/379148874.db2.gz SUVPWSRYQIOFMH-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CCCCCC1 ZINC000627301029 379219449 /nfs/dbraw/zinc/21/94/49/379219449.db2.gz SHWSSZGQCYGPNO-CQSZACIVSA-N 2 0 340.468 -0.138 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000458447935 379222018 /nfs/dbraw/zinc/22/20/18/379222018.db2.gz XBPWZGXCGSYJBQ-HUUCEWRRSA-N 2 0 328.457 -0.147 20 0 EBADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)NC[C@H]1CN(C2CC2)CCO1 ZINC000458795264 379235167 /nfs/dbraw/zinc/23/51/67/379235167.db2.gz MTKKLFNOHMSEST-CVEARBPZSA-N 2 0 340.468 -0.004 20 0 EBADRP O=C(NCC[NH+]1CCCOCC1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000458843952 379237090 /nfs/dbraw/zinc/23/70/90/379237090.db2.gz NOFTXIZTJLDSTE-HNNXBMFYSA-N 2 0 328.457 -0.145 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000459904241 379291332 /nfs/dbraw/zinc/29/13/32/379291332.db2.gz ZCONBHGVEDFUNJ-UHFFFAOYSA-N 2 0 340.468 -0.423 20 0 EBADRP C[N@H+](CC(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C1CCC1 ZINC000629962975 379260988 /nfs/dbraw/zinc/26/09/88/379260988.db2.gz QMXXZKPWNSZODH-CQSZACIVSA-N 2 0 338.452 -0.480 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C[N@H+](C)C2CCC2)cn1 ZINC000629965740 379263313 /nfs/dbraw/zinc/26/33/13/379263313.db2.gz ZYNBHWFLIUGCST-UHFFFAOYSA-N 2 0 336.440 -0.016 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000627306008 379278423 /nfs/dbraw/zinc/27/84/23/379278423.db2.gz NGBGTJMXSHHPOH-CABCVRRESA-N 2 0 340.468 -0.322 20 0 EBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627319805 379323043 /nfs/dbraw/zinc/32/30/43/379323043.db2.gz HOCDRATZWQMGAY-CQSZACIVSA-N 2 0 328.457 -0.199 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NCCOCCC[NH3+])[NH+]1CCC(C)CC1 ZINC000627331568 379341736 /nfs/dbraw/zinc/34/17/36/379341736.db2.gz AZBIPGURBNSYRN-AWEZNQCLSA-N 2 0 328.457 -0.295 20 0 EBADRP C[NH+]1CCN(c2ncccc2CNC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000269296732 379358118 /nfs/dbraw/zinc/35/81/18/379358118.db2.gz ODRLBOJNOBXZSF-HNNXBMFYSA-N 2 0 333.436 -0.172 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621842921 379367672 /nfs/dbraw/zinc/36/76/72/379367672.db2.gz BBHAHWUCKGGSOY-CKEIUWERSA-N 2 0 338.452 -0.447 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000627349542 379410176 /nfs/dbraw/zinc/41/01/76/379410176.db2.gz RDJZKSDBNGVSAD-TZMCWYRMSA-N 2 0 326.441 -0.720 20 0 EBADRP COc1ccc([C@H](CNc2nc(N)[nH+]c(N)n2)[NH+](C)C)cc1OC ZINC000623797834 379465840 /nfs/dbraw/zinc/46/58/40/379465840.db2.gz CZVKYHPPIYVDDZ-JTQLQIEISA-N 2 0 333.396 -0.149 20 0 EBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000487650306 379501729 /nfs/dbraw/zinc/50/17/29/379501729.db2.gz GYSHGGFJCQSAHP-GJZGRUSLSA-N 2 0 340.468 -0.567 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000486969178 379480800 /nfs/dbraw/zinc/48/08/00/379480800.db2.gz OBENHMFPWAIEOW-GJZGRUSLSA-N 2 0 325.453 -0.130 20 0 EBADRP CN(C)S(=O)(=O)N1CC(NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000624284773 379535037 /nfs/dbraw/zinc/53/50/37/379535037.db2.gz AYGOAFXUGACQDG-CQSZACIVSA-N 2 0 332.470 -0.680 20 0 EBADRP Nc1nc(N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)nc(N)[nH+]1 ZINC000624048713 379502947 /nfs/dbraw/zinc/50/29/47/379502947.db2.gz SOVYGZAZKWCJEG-CHWSQXEVSA-N 2 0 329.408 -0.586 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000627389252 379579466 /nfs/dbraw/zinc/57/94/66/379579466.db2.gz XWHGPDVTBYMPEM-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627453377 379603976 /nfs/dbraw/zinc/60/39/76/379603976.db2.gz LQWVLGQCOGFOLF-UHFFFAOYSA-N 2 0 328.457 -0.343 20 0 EBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627411776 379585051 /nfs/dbraw/zinc/58/50/51/379585051.db2.gz SJXQBEMMOOELLF-CYBMUJFWSA-N 2 0 326.441 -0.447 20 0 EBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627452385 379603442 /nfs/dbraw/zinc/60/34/42/379603442.db2.gz JJMQENCWUWKRNT-UHFFFAOYSA-N 2 0 326.441 -0.445 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000627428632 379594647 /nfs/dbraw/zinc/59/46/47/379594647.db2.gz KTQKGPXVRGRKTO-AWEZNQCLSA-N 2 0 328.457 -0.425 20 0 EBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627452334 379603749 /nfs/dbraw/zinc/60/37/49/379603749.db2.gz HWRBTCQAYULVRM-UHFFFAOYSA-N 2 0 340.468 -0.055 20 0 EBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627358053 379563213 /nfs/dbraw/zinc/56/32/13/379563213.db2.gz ZDZAHRRYJGEWGX-ZDUSSCGKSA-N 2 0 326.441 -0.541 20 0 EBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627358052 379563763 /nfs/dbraw/zinc/56/37/63/379563763.db2.gz ZDZAHRRYJGEWGX-CYBMUJFWSA-N 2 0 326.441 -0.541 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000627367263 379568669 /nfs/dbraw/zinc/56/86/69/379568669.db2.gz OKHNSUBJIFDPBR-LSDHHAIUSA-N 2 0 340.468 -0.330 20 0 EBADRP CC(C)[NH+](CCCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)C(C)C ZINC000627381175 379573447 /nfs/dbraw/zinc/57/34/47/379573447.db2.gz KLWHRDVGNQAMQA-CQSZACIVSA-N 2 0 328.457 -0.284 20 0 EBADRP CC(C)(CNC(=O)C(=O)NCC1([NH3+])CCOCC1)C[NH+]1CCCC1 ZINC000627381474 379573597 /nfs/dbraw/zinc/57/35/97/379573597.db2.gz SBTQYSZGOKIWDC-UHFFFAOYSA-N 2 0 340.468 -0.151 20 0 EBADRP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CCOCC1 ZINC000627388946 379578419 /nfs/dbraw/zinc/57/84/19/379578419.db2.gz MNVBHAVZEGHHEA-AWEZNQCLSA-N 2 0 338.452 -0.256 20 0 EBADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627481940 379632147 /nfs/dbraw/zinc/63/21/47/379632147.db2.gz JZSVRWMJJDGIMP-UONOGXRCSA-N 2 0 328.457 -0.282 20 0 EBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCCOCCC[NH3+])CC[C@H]21 ZINC000627486846 379633488 /nfs/dbraw/zinc/63/34/88/379633488.db2.gz MRJGWDKDBMFEHV-UONOGXRCSA-N 2 0 326.441 -0.589 20 0 EBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCOCCC[NH3+])C[C@@H]1C ZINC000627487587 379638000 /nfs/dbraw/zinc/63/80/00/379638000.db2.gz GZDDIKNBOLLDJF-UONOGXRCSA-N 2 0 328.457 -0.201 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000627488904 379640313 /nfs/dbraw/zinc/64/03/13/379640313.db2.gz LSTNHVAURMGCIT-HNNXBMFYSA-N 2 0 340.468 -0.055 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000627502247 379646611 /nfs/dbraw/zinc/64/66/11/379646611.db2.gz PGWQTIWVLCLZRO-MELADBBJSA-N 2 0 326.441 -0.578 20 0 EBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCC3([NH3+])CCOCC3)CC[C@H]21 ZINC000627454812 379605705 /nfs/dbraw/zinc/60/57/05/379605705.db2.gz ZZNLCCGUDZKFJR-ZIAGYGMSSA-N 2 0 338.452 -0.447 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)C[NH+]1CCCCC1 ZINC000627468662 379615447 /nfs/dbraw/zinc/61/54/47/379615447.db2.gz ATFAXBLKQRHZFZ-ZIAGYGMSSA-N 2 0 326.441 -0.671 20 0 EBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627475989 379624763 /nfs/dbraw/zinc/62/47/63/379624763.db2.gz XYMQRYBFKPAYSK-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000631902450 379735447 /nfs/dbraw/zinc/73/54/47/379735447.db2.gz JGMSQUXHIFKZLQ-LSDHHAIUSA-N 2 0 332.514 -0.069 20 0 EBADRP CN(C)C1(CS(=O)(=O)N2CCN(Cc3nccn3C)CC2)CC1 ZINC000631908071 379737961 /nfs/dbraw/zinc/73/79/61/379737961.db2.gz ATOQFLUSLOEBFK-UHFFFAOYSA-N 2 0 341.481 -0.038 20 0 EBADRP [NH3+][C@@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C[C@H]1c1cccc(F)c1 ZINC000631945160 379789477 /nfs/dbraw/zinc/78/94/77/379789477.db2.gz QFSAERKLZIVNOK-QLFBSQMISA-N 2 0 343.424 -0.130 20 0 EBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000631953279 379792380 /nfs/dbraw/zinc/79/23/80/379792380.db2.gz GVEUGDFRYHKNFW-HNNXBMFYSA-N 2 0 348.513 -0.042 20 0 EBADRP CO[C@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1(C)C ZINC000564191379 379800095 /nfs/dbraw/zinc/80/00/95/379800095.db2.gz RSIHETKTZBUIDQ-KGLIPLIRSA-N 2 0 342.484 -0.132 20 0 EBADRP C[C@H](CCC[NH3+])NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627096066 379803495 /nfs/dbraw/zinc/80/34/95/379803495.db2.gz QHVFYFPACDJNDX-CYBMUJFWSA-N 2 0 326.445 -0.534 20 0 EBADRP CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632030792 379804251 /nfs/dbraw/zinc/80/42/51/379804251.db2.gz YLWMZVOUSDHLMI-HNNXBMFYSA-N 2 0 332.514 -0.020 20 0 EBADRP O=C(NC[C@@H]1C[NH2+]CCO1)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000627103802 379804951 /nfs/dbraw/zinc/80/49/51/379804951.db2.gz NJOHTAVCVRBYBO-HOTGVXAUSA-N 2 0 349.435 -0.430 20 0 EBADRP COC[C@H](CNC(=O)/C=C/C[NH+](C)C)NC(=O)/C=C/C[NH+](C)C ZINC000276056199 379806532 /nfs/dbraw/zinc/80/65/32/379806532.db2.gz UVGHUNLWGQHHJV-GTAWMXINSA-N 2 0 326.441 -0.531 20 0 EBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCCOCCC[NH3+])C2)CC1 ZINC000626978415 379771051 /nfs/dbraw/zinc/77/10/51/379771051.db2.gz CRYDESPKLQUPAV-CQSZACIVSA-N 2 0 327.473 -0.181 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000626986956 379772197 /nfs/dbraw/zinc/77/21/97/379772197.db2.gz RWSCVWZTVWZKBE-CABCVRRESA-N 2 0 327.473 -0.452 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N(C)CCOCC[NH3+])CC1 ZINC000626986885 379772564 /nfs/dbraw/zinc/77/25/64/379772564.db2.gz PQEYTJLVMSUQQL-HNNXBMFYSA-N 2 0 329.489 -0.123 20 0 EBADRP CN1CCO[C@H](CS(=O)(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000632066656 379808810 /nfs/dbraw/zinc/80/88/10/379808810.db2.gz LTBLZIPQHSMMMF-STQMWFEESA-N 2 0 337.511 -0.326 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631924703 379781002 /nfs/dbraw/zinc/78/10/02/379781002.db2.gz CACTVROTUOPZJH-CABCVRRESA-N 2 0 349.497 -0.263 20 0 EBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000631925028 379781048 /nfs/dbraw/zinc/78/10/48/379781048.db2.gz LBXWUGHFYQJPQP-UHFFFAOYSA-N 2 0 346.497 -0.288 20 0 EBADRP C[NH+](C)CCCS(=O)(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000631936001 379785380 /nfs/dbraw/zinc/78/53/80/379785380.db2.gz QEUCBQUKEQKTFP-LLVKDONJSA-N 2 0 346.419 -0.306 20 0 EBADRP CC1([NH+]2CCOCC2)CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627191956 379829633 /nfs/dbraw/zinc/82/96/33/379829633.db2.gz XKQXJNAKEWVYIL-CQSZACIVSA-N 2 0 326.441 -0.129 20 0 EBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCCOCCC[NH3+])CC2)C1 ZINC000627211818 379839093 /nfs/dbraw/zinc/83/90/93/379839093.db2.gz HOLZHXAQJNZTNF-HNNXBMFYSA-N 2 0 327.473 -0.227 20 0 EBADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCCOCCC[NH3+])C1 ZINC000627484588 379842268 /nfs/dbraw/zinc/84/22/68/379842268.db2.gz BKFUUMLXVQHAGE-KGLIPLIRSA-N 2 0 326.441 -0.589 20 0 EBADRP [NH3+]C[C@@]1(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCCOC1 ZINC000637816100 379863963 /nfs/dbraw/zinc/86/39/63/379863963.db2.gz XJHYBFGTXGMFIW-YOEHRIQHSA-N 2 0 338.452 -0.588 20 0 EBADRP C[NH2+]CCOCCNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000627176208 379820548 /nfs/dbraw/zinc/82/05/48/379820548.db2.gz NEJIHLMPHZINBF-HNNXBMFYSA-N 2 0 327.473 -0.356 20 0 EBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000633115515 379943765 /nfs/dbraw/zinc/94/37/65/379943765.db2.gz LFAAFUAWTCJWLP-ZIAGYGMSSA-N 2 0 339.484 -0.581 20 0 EBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000633116081 379944400 /nfs/dbraw/zinc/94/44/00/379944400.db2.gz ORWYVCPBSHZXIW-UKRRQHHQSA-N 2 0 338.452 -0.495 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN(C)C(=O)COC ZINC000340133685 380060185 /nfs/dbraw/zinc/06/01/85/380060185.db2.gz FNSFZYMVTOSYBB-HNNXBMFYSA-N 2 0 342.484 -0.034 20 0 EBADRP C[NH+](C)[C@@H]1CCN(CCn2cc(CCN3CCC([NH3+])CC3)nn2)C1 ZINC000630587117 380110181 /nfs/dbraw/zinc/11/01/81/380110181.db2.gz QCNIGLSUDIDCQC-QGZVFWFLSA-N 2 0 335.500 -0.120 20 0 EBADRP CNC(=O)Cn1cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000133377044 380114831 /nfs/dbraw/zinc/11/48/31/380114831.db2.gz SDWYKBXHPQLRGH-UHFFFAOYSA-N 2 0 339.444 -0.414 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cnc(C[NH3+])nc2)CC1 ZINC000638098479 380130384 /nfs/dbraw/zinc/13/03/84/380130384.db2.gz MRVFNJRLAUNEIH-UHFFFAOYSA-N 2 0 334.424 -0.439 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638098082 380133815 /nfs/dbraw/zinc/13/38/15/380133815.db2.gz ZAUYQASBDIECEC-CJNGLKHVSA-N 2 0 326.441 -0.576 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000355267967 380177044 /nfs/dbraw/zinc/17/70/44/380177044.db2.gz SAQBYUVHSOVERK-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000355324464 380183912 /nfs/dbraw/zinc/18/39/12/380183912.db2.gz UKQQWOKBZUAFOO-ZDUSSCGKSA-N 2 0 328.457 -0.737 20 0 EBADRP O=C(NCC1CC[NH+](CCO)CC1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000355136702 380150706 /nfs/dbraw/zinc/15/07/06/380150706.db2.gz POHORWPQWNKJQM-CQSZACIVSA-N 2 0 338.452 -0.840 20 0 EBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638111706 380157017 /nfs/dbraw/zinc/15/70/17/380157017.db2.gz GCBPTNZUCHSWHM-MRXNPFEDSA-N 2 0 326.441 -0.576 20 0 EBADRP CC1CC[NH+](CCNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000340207612 380251143 /nfs/dbraw/zinc/25/11/43/380251143.db2.gz FXNJZVGGJXLHNG-OAHLLOKOSA-N 2 0 339.484 -0.804 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@](C)(C(N)=O)C2)C1 ZINC000361556676 380319693 /nfs/dbraw/zinc/31/96/93/380319693.db2.gz JUQJZNJRWZMCLU-PBHICJAKSA-N 2 0 340.468 -0.343 20 0 EBADRP C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCc1nccn1C ZINC000286833396 380322934 /nfs/dbraw/zinc/32/29/34/380322934.db2.gz ZHLCVPOVKNOKNU-GFCCVEGCSA-N 2 0 337.424 -0.660 20 0 EBADRP COCCN1CCN(C(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000340217877 380274087 /nfs/dbraw/zinc/27/40/87/380274087.db2.gz SNVZACXIOPUFCQ-HNNXBMFYSA-N 2 0 340.468 -0.375 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000556168079 380370621 /nfs/dbraw/zinc/37/06/21/380370621.db2.gz DRECCEGBXXXYBM-UHFFFAOYSA-N 2 0 339.484 -0.659 20 0 EBADRP C[NH+](C)C1(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CCOCC1 ZINC000564918528 380385078 /nfs/dbraw/zinc/38/50/78/380385078.db2.gz WCJXJEWGVINDKO-ZDUSSCGKSA-N 2 0 336.440 -0.129 20 0 EBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000340267388 380394827 /nfs/dbraw/zinc/39/48/27/380394827.db2.gz HTJLVBSQBFKURO-LSDHHAIUSA-N 2 0 339.484 -0.661 20 0 EBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)C2)CC1 ZINC000363053118 380452862 /nfs/dbraw/zinc/45/28/62/380452862.db2.gz HWUGOFQMEPYTQK-GFCCVEGCSA-N 2 0 346.497 -0.401 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCS(=O)(=O)c2ccccc2)CC1 ZINC000567160423 380503121 /nfs/dbraw/zinc/50/31/21/380503121.db2.gz IBUDQNJZAJPBIX-HNNXBMFYSA-N 2 0 341.477 -0.342 20 0 EBADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000368504488 380511007 /nfs/dbraw/zinc/51/10/07/380511007.db2.gz VOUNSSLTRJEKIO-OAHLLOKOSA-N 2 0 341.500 -0.232 20 0 EBADRP CC[NH+](CC)CCOCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566511733 380480532 /nfs/dbraw/zinc/48/05/32/380480532.db2.gz AWGAKHNUJHBOFK-ZIAGYGMSSA-N 2 0 341.456 -0.702 20 0 EBADRP [NH3+]C[C@@H](C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000638476509 380481224 /nfs/dbraw/zinc/48/12/24/380481224.db2.gz ISVCSIRTFDXNFM-MRXNPFEDSA-N 2 0 345.447 -0.102 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC[C@@H](O)C[NH+](C)C1CC1 ZINC000567681987 380536105 /nfs/dbraw/zinc/53/61/05/380536105.db2.gz CNKBSIPVIHLERX-HZPDHXFCSA-N 3 0 326.485 -0.026 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC(=O)N2CCc3ccccc3C2)CC1 ZINC000567726064 380537901 /nfs/dbraw/zinc/53/79/01/380537901.db2.gz XBOSKSZVJLRIFF-GOSISDBHSA-N 2 0 346.475 -0.231 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000340554851 380540593 /nfs/dbraw/zinc/54/05/93/380540593.db2.gz YDCDRTNHQYNDGI-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000567806194 380545302 /nfs/dbraw/zinc/54/53/02/380545302.db2.gz VNPCBNWDKJTMEC-KBPBESRZSA-N 2 0 328.457 -0.345 20 0 EBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NCCNS(C)(=O)=O)C2)CC1 ZINC000369391909 380554204 /nfs/dbraw/zinc/55/42/04/380554204.db2.gz CUFMCBAVKMGTHB-LBPRGKRZSA-N 2 0 347.485 -0.997 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000340583731 380558322 /nfs/dbraw/zinc/55/83/22/380558322.db2.gz KCQSNWKQFVKKQV-ZDUSSCGKSA-N 2 0 326.441 -0.576 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCOCCC[NH3+])CC1=O ZINC000638660692 380565249 /nfs/dbraw/zinc/56/52/49/380565249.db2.gz IBNLZDWVEFJAMJ-LSDHHAIUSA-N 2 0 340.468 -0.199 20 0 EBADRP CN1CCN(C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H](C[NH3+])C1 ZINC000569094686 380630041 /nfs/dbraw/zinc/63/00/41/380630041.db2.gz CIWWTOHWMNHGJT-AWEZNQCLSA-N 2 0 339.484 -0.674 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000569095818 380630077 /nfs/dbraw/zinc/63/00/77/380630077.db2.gz ADEMXNIRBYEXHZ-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000569140122 380631182 /nfs/dbraw/zinc/63/11/82/380631182.db2.gz CXQJPVVFGUNMKC-UHFFFAOYSA-N 2 0 348.451 -0.743 20 0 EBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000569123993 380631200 /nfs/dbraw/zinc/63/12/00/380631200.db2.gz YJPXWGLACRBKRZ-LSDHHAIUSA-N 2 0 339.484 -0.676 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000572726935 380643019 /nfs/dbraw/zinc/64/30/19/380643019.db2.gz MEBXHIZKXKDCOK-ZDUSSCGKSA-N 2 0 349.501 -0.845 20 0 EBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)NC3[C@@H]4CCC[C@H]3CC([NH3+])C4)CCN2C1=O ZINC000568287556 380593269 /nfs/dbraw/zinc/59/32/69/380593269.db2.gz CNNRVVFXFVCCOH-LWWDWZNRSA-N 2 0 335.452 -0.154 20 0 EBADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NC2C[NH2+]C2)c1 ZINC000568845245 380618503 /nfs/dbraw/zinc/61/85/03/380618503.db2.gz NQPAXDJHKBKSOH-UHFFFAOYSA-N 2 0 347.419 -0.007 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000340793373 380626214 /nfs/dbraw/zinc/62/62/14/380626214.db2.gz GZQAGZYMTVBLLF-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP CN1CCN(CC(=O)N2CCN(Cc3ccco3)CC2)[C@@H](CO)C1 ZINC000639870383 380627139 /nfs/dbraw/zinc/62/71/39/380627139.db2.gz FWBDPKYMOAZJPW-OAHLLOKOSA-N 2 0 336.436 -0.468 20 0 EBADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000573206594 380663685 /nfs/dbraw/zinc/66/36/85/380663685.db2.gz GKZCDXLKJXWXHK-HUUCEWRRSA-N 3 0 339.484 -0.497 20 0 EBADRP C[NH+](C)CCOc1ccccc1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000573728648 380685455 /nfs/dbraw/zinc/68/54/55/380685455.db2.gz RYLGZTPMTTVMPR-UHFFFAOYSA-N 2 0 334.420 -0.211 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(CO)CC1 ZINC000574048202 380697186 /nfs/dbraw/zinc/69/71/86/380697186.db2.gz SQUISDBXYQBNGO-UHFFFAOYSA-N 2 0 328.457 -0.831 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000574278766 380707026 /nfs/dbraw/zinc/70/70/26/380707026.db2.gz DDYCFNBNQLRXJQ-CWRNSKLLSA-N 2 0 340.468 -0.169 20 0 EBADRP CN(CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)S(C)(=O)=O ZINC000342091763 380757588 /nfs/dbraw/zinc/75/75/88/380757588.db2.gz CPMLYAVTFLIRCH-BFHYXJOUSA-N 2 0 346.497 -0.557 20 0 EBADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000574466856 380712812 /nfs/dbraw/zinc/71/28/12/380712812.db2.gz UPITUQRNXNXPAR-AWEZNQCLSA-N 2 0 334.420 -0.279 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000341547176 380715668 /nfs/dbraw/zinc/71/56/68/380715668.db2.gz NAZZDYZMSLWVFH-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP Cn1cccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1=O ZINC000574831297 380726389 /nfs/dbraw/zinc/72/63/89/380726389.db2.gz APDFQZTZYFOMOM-UHFFFAOYSA-N 2 0 337.424 -0.724 20 0 EBADRP O=S(=O)(CCCN1CCOCC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000372804733 380726540 /nfs/dbraw/zinc/72/65/40/380726540.db2.gz QRECKTSKSBEAKZ-OAHLLOKOSA-N 2 0 329.466 -0.015 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000341693378 380727736 /nfs/dbraw/zinc/72/77/36/380727736.db2.gz RZHRTXRUCQLZPU-UHFFFAOYSA-N 2 0 328.457 -0.377 20 0 EBADRP CC[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC[N@@H+]1C[C@H](C)O ZINC000576808630 380786144 /nfs/dbraw/zinc/78/61/44/380786144.db2.gz HTVLYJDFMWJYIY-RRFJBIMHSA-N 2 0 327.473 -0.623 20 0 EBADRP C[NH+](C)Cc1cccc(CNC(=O)NCC(=O)N2CC[NH2+]CC2)c1 ZINC000576964617 380792004 /nfs/dbraw/zinc/79/20/04/380792004.db2.gz UIQRHDZEVTZIBE-UHFFFAOYSA-N 2 0 333.436 -0.021 20 0 EBADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)C1 ZINC000577373660 380820174 /nfs/dbraw/zinc/82/01/74/380820174.db2.gz WRQXOTNHYVWQFA-CABCVRRESA-N 2 0 337.468 -0.920 20 0 EBADRP CC(C)CN1CCO[C@H](C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000577841429 380844257 /nfs/dbraw/zinc/84/42/57/380844257.db2.gz NGCSWOFRSOXDOK-DLBZAZTESA-N 3 0 328.501 -0.459 20 0 EBADRP C[NH+]1CCN(c2cc(C(=O)NCCN3CC[NH2+]CC3)ccn2)CC1 ZINC000125853230 380850206 /nfs/dbraw/zinc/85/02/06/380850206.db2.gz XETHTPZOJJHHMP-UHFFFAOYSA-N 2 0 332.452 -0.532 20 0 EBADRP CN1CC[C@@H](C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)S1(=O)=O ZINC000638985701 380852542 /nfs/dbraw/zinc/85/25/42/380852542.db2.gz MQOSVDSDQVYVJE-LBPRGKRZSA-N 2 0 339.421 -0.536 20 0 EBADRP C[C@H](CN1CCOCC1)NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000161858390 380906357 /nfs/dbraw/zinc/90/63/57/380906357.db2.gz OKLDJKPXMPKIKI-CQSZACIVSA-N 2 0 328.457 -0.195 20 0 EBADRP COCCOC[C@H](O)C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000578740283 380950208 /nfs/dbraw/zinc/95/02/08/380950208.db2.gz ADYVVXFCEQITRX-MRXNPFEDSA-N 2 0 338.452 -0.053 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C[C@@H](C)O)[C@H](C)CO)C1 ZINC000377032096 380952398 /nfs/dbraw/zinc/95/23/98/380952398.db2.gz SWNZGMSFAMVEET-BZUAXINKSA-N 2 0 345.484 -0.477 20 0 EBADRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NCC[NH+](C)C)C2 ZINC000377257896 380962922 /nfs/dbraw/zinc/96/29/22/380962922.db2.gz ZGILVNQPRJWAJZ-AGUYFDCRSA-N 2 0 325.457 -0.069 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](CC(N)=O)C2)C1 ZINC000377526915 380976465 /nfs/dbraw/zinc/97/64/65/380976465.db2.gz VNXTXBJKJCINKJ-GJZGRUSLSA-N 2 0 340.468 -0.343 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](CC(N)=O)C2)C1 ZINC000377526917 380978660 /nfs/dbraw/zinc/97/86/60/380978660.db2.gz VNXTXBJKJCINKJ-LSDHHAIUSA-N 2 0 340.468 -0.343 20 0 EBADRP CN1C(=O)CC[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1=O ZINC000579346927 380984414 /nfs/dbraw/zinc/98/44/14/380984414.db2.gz YJZYGCJFSQNMFB-LBPRGKRZSA-N 2 0 327.429 -0.731 20 0 EBADRP CN1CC[C@@H]([N@H+](C)CCOCC[NH+](C)[C@H]2CCN(C)C2=O)C1=O ZINC000343734802 381012131 /nfs/dbraw/zinc/01/21/31/381012131.db2.gz FLKQXRSWTLZENO-OKILXGFUSA-N 2 0 326.441 -0.672 20 0 EBADRP C[C@@]1(C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)CC[NH2+]C1 ZINC000579833630 381016575 /nfs/dbraw/zinc/01/65/75/381016575.db2.gz HZLMMORWKUAZJG-CQSZACIVSA-N 2 0 326.422 -0.138 20 0 EBADRP C[C@@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)CC[N@@H+]1CC(C)(C)O ZINC000418294557 381032263 /nfs/dbraw/zinc/03/22/63/381032263.db2.gz GDIGRRYWWDCTPE-OAHLLOKOSA-N 2 0 341.500 -0.232 20 0 EBADRP NC(=O)NC(=O)CC[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000579582212 380999768 /nfs/dbraw/zinc/99/97/68/380999768.db2.gz POXAADSJNVCSQZ-UHFFFAOYSA-N 2 0 349.439 -0.447 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000582781275 381071188 /nfs/dbraw/zinc/07/11/88/381071188.db2.gz XLAJBVVJWQYRJN-DLBZAZTESA-N 2 0 332.448 -0.010 20 0 EBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000642439449 381095294 /nfs/dbraw/zinc/09/52/94/381095294.db2.gz HJLSMSIOVNEYQI-UONOGXRCSA-N 2 0 325.457 -0.922 20 0 EBADRP CC(C)[C@@H]([NH3+])CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000418393757 381122649 /nfs/dbraw/zinc/12/26/49/381122649.db2.gz YKEALYCHKWNQHJ-UONOGXRCSA-N 2 0 325.457 -0.082 20 0 EBADRP CC(C)[C@@H]([NH3+])CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000418393755 381123506 /nfs/dbraw/zinc/12/35/06/381123506.db2.gz YKEALYCHKWNQHJ-KBPBESRZSA-N 2 0 325.457 -0.082 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000584781839 381210083 /nfs/dbraw/zinc/21/00/83/381210083.db2.gz SUYNCQDHSPQUEL-UONOGXRCSA-N 2 0 340.468 -0.201 20 0 EBADRP CN1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)[C@H](C[NH3+])C1 ZINC000584829523 381215426 /nfs/dbraw/zinc/21/54/26/381215426.db2.gz TUBRXIQXJBAVMK-CYBMUJFWSA-N 2 0 325.457 -0.922 20 0 EBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000418760232 381263741 /nfs/dbraw/zinc/26/37/41/381263741.db2.gz JWKIRLTXNJAJOV-GJZGRUSLSA-N 2 0 327.473 -0.718 20 0 EBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000347957303 381294595 /nfs/dbraw/zinc/29/45/95/381294595.db2.gz DCFROSZFERTPRM-HNNXBMFYSA-N 2 0 341.500 -0.605 20 0 EBADRP CC(C)(CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[NH+]1CCCCC1 ZINC000418845082 381302186 /nfs/dbraw/zinc/30/21/86/381302186.db2.gz UTVKZTUCLFCFIC-ZDUSSCGKSA-N 2 0 326.441 -0.447 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000418923847 381341942 /nfs/dbraw/zinc/34/19/42/381341942.db2.gz OMHKHXVIXAMRBE-WMLDXEAASA-N 2 0 340.468 -0.343 20 0 EBADRP O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000643478888 381328216 /nfs/dbraw/zinc/32/82/16/381328216.db2.gz MBBDREOKLQICHT-HOCLYGCPSA-N 2 0 343.431 -0.059 20 0 EBADRP O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000643478911 381328271 /nfs/dbraw/zinc/32/82/71/381328271.db2.gz OQOBALMYQDQQOF-GOEBONIOSA-N 2 0 343.431 -0.059 20 0 EBADRP O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000643478887 381328909 /nfs/dbraw/zinc/32/89/09/381328909.db2.gz MBBDREOKLQICHT-GOEBONIOSA-N 2 0 343.431 -0.059 20 0 EBADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)([NH+](C)C)C1 ZINC000418925022 381342261 /nfs/dbraw/zinc/34/22/61/381342261.db2.gz PVYGSMQEIHIIBU-CKEIUWERSA-N 2 0 340.468 -0.282 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000418922736 381340808 /nfs/dbraw/zinc/34/08/08/381340808.db2.gz MYLNJLMJNHJCPQ-ZDUSSCGKSA-N 2 0 326.441 -0.543 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)C1 ZINC000418923852 381341316 /nfs/dbraw/zinc/34/13/16/381341316.db2.gz OMJLXQBIPQRKNE-ZNMIVQPWSA-N 2 0 340.468 -0.345 20 0 EBADRP COC(=O)CNC(=O)CC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000348004050 381309862 /nfs/dbraw/zinc/30/98/62/381309862.db2.gz ZHUQNOQCCWAVGO-UHFFFAOYSA-N 2 0 342.440 -0.945 20 0 EBADRP C[C@@H](NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)C(C)(C)C[NH+](C)C ZINC000348006649 381310200 /nfs/dbraw/zinc/31/02/00/381310200.db2.gz JCOCONOYDXBQGA-ZIAGYGMSSA-N 2 0 341.500 -0.559 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)C1 ZINC000418912734 381346147 /nfs/dbraw/zinc/34/61/47/381346147.db2.gz DLLKKPDBLGQCBQ-QLFBSQMISA-N 2 0 340.468 -0.332 20 0 EBADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000419023413 381356532 /nfs/dbraw/zinc/35/65/32/381356532.db2.gz MJMHTYHHERWEMJ-MRXNPFEDSA-N 2 0 348.447 -0.059 20 0 EBADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419033197 381357608 /nfs/dbraw/zinc/35/76/08/381357608.db2.gz YDUPBFFKSNGUMO-MCIONIFRSA-N 2 0 328.457 -0.751 20 0 EBADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000419192731 381405923 /nfs/dbraw/zinc/40/59/23/381405923.db2.gz YLKCJOQBMMBQPK-AWEZNQCLSA-N 2 0 341.500 -0.238 20 0 EBADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000419242815 381407454 /nfs/dbraw/zinc/40/74/54/381407454.db2.gz RPHQBUMCTCPTHO-NEPJUHHUSA-N 2 0 326.441 -0.184 20 0 EBADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(CC[NH3+])CCO ZINC000419172787 381393755 /nfs/dbraw/zinc/39/37/55/381393755.db2.gz RLASEDLEIPVZCK-AWEZNQCLSA-N 2 0 328.457 -0.463 20 0 EBADRP [NH3+]CCN(CCO)C(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000419134799 381395960 /nfs/dbraw/zinc/39/59/60/381395960.db2.gz LAQPPTVLCXHIRR-MRXNPFEDSA-N 2 0 348.447 -0.453 20 0 EBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)C[N@@H+]1C1CC1 ZINC000419321822 381416699 /nfs/dbraw/zinc/41/66/99/381416699.db2.gz ROYIJRHPTJWWJD-GFQSEFKGSA-N 2 0 338.452 -0.043 20 0 EBADRP CO[C@H]1CCN(C(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)[C@@H](C[NH3+])C1 ZINC000419225869 381401654 /nfs/dbraw/zinc/40/16/54/381401654.db2.gz PSYQRSSOUWSYLL-CABCVRRESA-N 2 0 338.452 -0.281 20 0 EBADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419230936 381402031 /nfs/dbraw/zinc/40/20/31/381402031.db2.gz QMKXMGCEVXBEOY-LSDHHAIUSA-N 2 0 338.452 -0.528 20 0 EBADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)CCOC2C[NH2+]C2)cc1 ZINC000349006906 381427679 /nfs/dbraw/zinc/42/76/79/381427679.db2.gz UHBGWRHRGVALHD-UHFFFAOYSA-N 2 0 348.447 -0.027 20 0 EBADRP C[NH+]1CCN(c2ccc(CNC(=O)CCOC3C[NH2+]C3)cn2)CC1 ZINC000348989665 381428984 /nfs/dbraw/zinc/42/89/84/381428984.db2.gz DDGMSFQXKLMMCH-UHFFFAOYSA-N 2 0 333.436 -0.172 20 0 EBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000419413118 381431099 /nfs/dbraw/zinc/43/10/99/381431099.db2.gz RRJNCTNXZSUHBX-KBPBESRZSA-N 2 0 326.441 -0.671 20 0 EBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000419538228 381450680 /nfs/dbraw/zinc/45/06/80/381450680.db2.gz OOSHPMZJXBWFJM-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419432640 381435581 /nfs/dbraw/zinc/43/55/81/381435581.db2.gz YKAQNNLZDHAMPR-KGLIPLIRSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419432642 381436965 /nfs/dbraw/zinc/43/69/65/381436965.db2.gz YKAQNNLZDHAMPR-ZIAGYGMSSA-N 2 0 326.441 -0.528 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000419451265 381441489 /nfs/dbraw/zinc/44/14/89/381441489.db2.gz MYSUFMLCHIYSQQ-ZIAGYGMSSA-N 2 0 328.457 -0.201 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000419536350 381451066 /nfs/dbraw/zinc/45/10/66/381451066.db2.gz LYDTXQOQYANONU-MGPQQGTHSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419474076 381445587 /nfs/dbraw/zinc/44/55/87/381445587.db2.gz BKWZMWKOYXVKBA-CABCVRRESA-N 2 0 340.468 -0.057 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000419694308 381472301 /nfs/dbraw/zinc/47/23/01/381472301.db2.gz KLGHHEJQRGQLFG-ZDUSSCGKSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@H](CCNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[NH+]1CCCCC1 ZINC000419712663 381476897 /nfs/dbraw/zinc/47/68/97/381476897.db2.gz LSHGTJZJYFEDOT-HUUCEWRRSA-N 2 0 340.468 -0.057 20 0 EBADRP C[C@H](CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[NH+]1CCCCC1 ZINC000419720310 381479062 /nfs/dbraw/zinc/47/90/62/381479062.db2.gz YNGDOFXHDWRWNR-CABCVRRESA-N 2 0 340.468 -0.138 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)C1 ZINC000419723962 381481200 /nfs/dbraw/zinc/48/12/00/381481200.db2.gz GLJLLZJJRRFOOW-MRXNPFEDSA-N 2 0 348.447 -0.189 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419550428 381452114 /nfs/dbraw/zinc/45/21/14/381452114.db2.gz WIWNBQYUBYILIR-ZNMIVQPWSA-N 2 0 338.452 -0.434 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000419548744 381453064 /nfs/dbraw/zinc/45/30/64/381453064.db2.gz UKNJTARIKIMGNS-KGLIPLIRSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C[C@H](C)[NH2+]1 ZINC000419591131 381461970 /nfs/dbraw/zinc/46/19/70/381461970.db2.gz VECCOORBNXCRKP-TYNCELHUSA-N 2 0 328.482 -0.251 20 0 EBADRP CC(C)[NH+](CCCNC(=O)C(=O)NCCN1CC[NH2+]CC1)C(C)C ZINC000419672260 381469019 /nfs/dbraw/zinc/46/90/19/381469019.db2.gz ZGIXQTICEPRWEG-UHFFFAOYSA-N 2 0 341.500 -0.367 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)NCCCN1CC[NH2+]CC1)C1CCCC1 ZINC000419843181 381505195 /nfs/dbraw/zinc/50/51/95/381505195.db2.gz CWIMIDGNZROZAE-UHFFFAOYSA-N 2 0 339.484 -0.612 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419850312 381506884 /nfs/dbraw/zinc/50/68/84/381506884.db2.gz FQZSNIKSPVNXIE-HNNXBMFYSA-N 2 0 339.484 -0.612 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419865729 381513507 /nfs/dbraw/zinc/51/35/07/381513507.db2.gz UBUXERKRDJHWDR-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419891822 381518890 /nfs/dbraw/zinc/51/88/90/381518890.db2.gz NQWDXKQBDOEMML-UONOGXRCSA-N 2 0 328.457 -0.473 20 0 EBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000419773696 381489600 /nfs/dbraw/zinc/48/96/00/381489600.db2.gz ZZFKAVIPXDOISG-KGLIPLIRSA-N 2 0 328.457 -0.201 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419891093 381519747 /nfs/dbraw/zinc/51/97/47/381519747.db2.gz MUVXTDFAKGSCLQ-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000419814306 381497716 /nfs/dbraw/zinc/49/77/16/381497716.db2.gz HGOYOMDFBRVPAQ-KFWWJZLASA-N 2 0 339.484 -0.805 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000419893457 381520094 /nfs/dbraw/zinc/52/00/94/381520094.db2.gz VMXWAWDFEDTYBL-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419835999 381501847 /nfs/dbraw/zinc/50/18/47/381501847.db2.gz BCXZSMSCNDCSHA-HZSPNIEDSA-N 2 0 326.441 -0.530 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000419837278 381502763 /nfs/dbraw/zinc/50/27/63/381502763.db2.gz WMYWLUMMVASIRP-ILXRZTDVSA-N 2 0 339.484 -0.805 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])C1 ZINC000420074292 381537253 /nfs/dbraw/zinc/53/72/53/381537253.db2.gz HOTCMNDKSJIGOL-ZDUSSCGKSA-N 2 0 328.457 -0.201 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000420150856 381548870 /nfs/dbraw/zinc/54/88/70/381548870.db2.gz AGUWAWALTBORRX-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP CN(C)S(=O)(=O)n1ccnc1CN(CC[NH+](C)C)CC[NH+](C)C ZINC000582212823 381577651 /nfs/dbraw/zinc/57/76/51/381577651.db2.gz AZRXJYCRSXELBH-UHFFFAOYSA-N 2 0 346.501 -0.537 20 0 EBADRP CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000420309994 381579736 /nfs/dbraw/zinc/57/97/36/381579736.db2.gz PGFIPEVGFXRCOE-ZDUSSCGKSA-N 2 0 332.470 -0.788 20 0 EBADRP Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(=O)n(C)c1=O ZINC000420328434 381581994 /nfs/dbraw/zinc/58/19/94/381581994.db2.gz MLTKLPJIWLVSLO-RYUDHWBXSA-N 2 0 349.435 -0.830 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000420161478 381553916 /nfs/dbraw/zinc/55/39/16/381553916.db2.gz GKPXEINKGYYCNV-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000420170991 381555749 /nfs/dbraw/zinc/55/57/49/381555749.db2.gz RNHDWZASQZRZOW-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000420177388 381563077 /nfs/dbraw/zinc/56/30/77/381563077.db2.gz CFEHXXORUSKXKE-CQSZACIVSA-N 2 0 326.441 -0.575 20 0 EBADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420189353 381564694 /nfs/dbraw/zinc/56/46/94/381564694.db2.gz DPEKBIJXKKTOLI-MJBXVCDLSA-N 2 0 326.441 -0.530 20 0 EBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000420204843 381568503 /nfs/dbraw/zinc/56/85/03/381568503.db2.gz DCSIJMDOWWXFGV-CABCVRRESA-N 2 0 338.452 -0.432 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000420201090 381569642 /nfs/dbraw/zinc/56/96/42/381569642.db2.gz NNKIVLHPGGSNMH-MGPQQGTHSA-N 2 0 326.441 -0.672 20 0 EBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000643483549 381612788 /nfs/dbraw/zinc/61/27/88/381612788.db2.gz JUNKPVYIMQTLQW-MGPQQGTHSA-N 2 0 326.441 -0.496 20 0 EBADRP CSCC[C@H]([NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000167408255 381624243 /nfs/dbraw/zinc/62/42/43/381624243.db2.gz BRPUZRAXARCUON-ZDUSSCGKSA-N 2 0 328.482 -0.167 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351530941 381637327 /nfs/dbraw/zinc/63/73/27/381637327.db2.gz CEQYXMAIIJSKHB-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000572111616 381640947 /nfs/dbraw/zinc/64/09/47/381640947.db2.gz MPHCNUWVJMCSAG-HUUCEWRRSA-N 3 0 339.484 -0.994 20 0 EBADRP C[C@H]1C[N@@H+](C2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC2)CCO1 ZINC000351554479 381643558 /nfs/dbraw/zinc/64/35/58/381643558.db2.gz IPQFTKSNLCRLJS-DZGCQCFKSA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000351563461 381645854 /nfs/dbraw/zinc/64/58/54/381645854.db2.gz KPUNMMQAYVJALH-HZSPNIEDSA-N 2 0 326.441 -0.530 20 0 EBADRP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000572228466 381652182 /nfs/dbraw/zinc/65/21/82/381652182.db2.gz XKIJWRHIVHUCEN-CABCVRRESA-N 3 0 341.500 -0.558 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000627457922 381802096 /nfs/dbraw/zinc/80/20/96/381802096.db2.gz NYTOUTGMYBYTFK-SOUVJXGZSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000332518227 381803551 /nfs/dbraw/zinc/80/35/51/381803551.db2.gz IPLWRTQZQHKESG-AWEZNQCLSA-N 2 0 338.452 -0.623 20 0 EBADRP O=C(NCC1C[NH2+]C1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612915486 381878046 /nfs/dbraw/zinc/87/80/46/381878046.db2.gz QVYAIOHSNLTZPC-AWEZNQCLSA-N 2 0 347.467 -0.072 20 0 EBADRP CC[NH+]1CCN(CCCNC(=O)CNC(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000352086473 381870074 /nfs/dbraw/zinc/87/00/74/381870074.db2.gz COPVXYAOSXNMPH-OAHLLOKOSA-N 2 0 327.473 -0.770 20 0 EBADRP CCN1CCN(C(=O)[C@H](C)N2CCC[C@]3(C2)NC(=O)NC3=O)CC1 ZINC000333199073 381897347 /nfs/dbraw/zinc/89/73/47/381897347.db2.gz YHBPRNWIDCNXFE-BLLLJJGKSA-N 2 0 337.424 -0.787 20 0 EBADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000333252895 381900435 /nfs/dbraw/zinc/90/04/35/381900435.db2.gz KQTXIUXFCQDNFG-GJZGRUSLSA-N 2 0 341.500 -0.281 20 0 EBADRP CN1CCO[C@@H]2CN(C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C[C@H]21 ZINC000333287392 381903152 /nfs/dbraw/zinc/90/31/52/381903152.db2.gz KGZMSSSUXGKBSZ-HUUCEWRRSA-N 2 0 339.484 -0.263 20 0 EBADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC000626880250 381914357 /nfs/dbraw/zinc/91/43/57/381914357.db2.gz VBBQKLWZEJFFRN-OAHLLOKOSA-N 2 0 334.420 -0.166 20 0 EBADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000626899733 381925030 /nfs/dbraw/zinc/92/50/30/381925030.db2.gz HPBYULISYJBAEL-OAHLLOKOSA-N 2 0 334.420 -0.083 20 0 EBADRP CC[C@H]1CN(C(=O)C(=O)N(CCOC)CC[NH+](C)C)CC[C@H]1[NH3+] ZINC000643511240 381962360 /nfs/dbraw/zinc/96/23/60/381962360.db2.gz ZJJBCANNYKGLRG-UONOGXRCSA-N 2 0 328.457 -0.391 20 0 EBADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1 ZINC000626915380 381940197 /nfs/dbraw/zinc/94/01/97/381940197.db2.gz HPBYULISYJBAEL-HNNXBMFYSA-N 2 0 334.420 -0.083 20 0 EBADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000626915558 381940842 /nfs/dbraw/zinc/94/08/42/381940842.db2.gz ONNXRNXPKXQDDN-AWEZNQCLSA-N 2 0 334.420 -0.083 20 0 EBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000643536193 382050080 /nfs/dbraw/zinc/05/00/80/382050080.db2.gz NRNQBFFYSUIYTI-LSDHHAIUSA-N 2 0 340.468 -0.105 20 0 EBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000643516771 382022251 /nfs/dbraw/zinc/02/22/51/382022251.db2.gz UGIAEIAGXPIEJO-OAGGEKHMSA-N 2 0 349.479 -0.812 20 0 EBADRP CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(OCCC[NH3+])CC2)CC1 ZINC000430567245 382022294 /nfs/dbraw/zinc/02/22/94/382022294.db2.gz ANZBZMKDNOJZPG-CQSZACIVSA-N 2 0 340.468 -0.105 20 0 EBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000643516770 382022342 /nfs/dbraw/zinc/02/23/42/382022342.db2.gz UGIAEIAGXPIEJO-BZUAXINKSA-N 2 0 349.479 -0.812 20 0 EBADRP Cn1cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1C(N)=O ZINC000104102403 382036904 /nfs/dbraw/zinc/03/69/04/382036904.db2.gz YNNWNEXVMBMHHD-UHFFFAOYSA-N 2 0 345.469 -0.762 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000353776313 382172063 /nfs/dbraw/zinc/17/20/63/382172063.db2.gz IGFBBRGFQVFQBI-CQSZACIVSA-N 2 0 328.457 -0.567 20 0 EBADRP CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1=O ZINC000629539488 382213798 /nfs/dbraw/zinc/21/37/98/382213798.db2.gz QYBQKLDXFDMPIT-LBPRGKRZSA-N 2 0 335.412 -0.296 20 0 EBADRP C[NH2+]CCC1CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000354284161 382227411 /nfs/dbraw/zinc/22/74/11/382227411.db2.gz WGLLIJAUSKRODD-UHFFFAOYSA-N 2 0 348.513 -0.294 20 0 EBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NCC[NH+](C)CCCOC)CC1 ZINC000357572712 285206906 /nfs/dbraw/zinc/20/69/06/285206906.db2.gz GMHNYJYAZGWOHR-UHFFFAOYSA-N 2 0 328.457 -0.375 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NCCC2(C[NH3+])CC2)CCSC1 ZINC000652685512 545831128 /nfs/dbraw/zinc/83/11/28/545831128.db2.gz NBKRCVCFNLLJDX-OAHLLOKOSA-N 2 0 328.482 -0.215 20 0 EBADRP O=S1(=O)C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H](N2CCOCC2)C1 ZINC000329403860 155224832 /nfs/dbraw/zinc/22/48/32/155224832.db2.gz WVHXQWJTGDNLNI-WCVJEAGWSA-N 2 0 343.493 -0.299 20 0 EBADRP Cn1cc(S(=O)(=O)NCC[NH+]2CCC(C[NH+](C)C)CC2)cn1 ZINC000330369457 155264814 /nfs/dbraw/zinc/26/48/14/155264814.db2.gz XZHRJWFHCKNXEM-UHFFFAOYSA-N 2 0 329.470 -0.028 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000331377706 155365577 /nfs/dbraw/zinc/36/55/77/155365577.db2.gz HQYSHOFZPCLWFU-ILXRZTDVSA-N 2 0 337.468 -0.909 20 0 EBADRP COCC[NH2+]CC(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000178885551 154121078 /nfs/dbraw/zinc/12/10/78/154121078.db2.gz VMTXIRKHKVLCEP-MRXNPFEDSA-N 2 0 342.484 -0.524 20 0 EBADRP COCC[N@H+](C)CCNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000185679298 154140166 /nfs/dbraw/zinc/14/01/66/154140166.db2.gz XMSJCRHFVHIUDR-OAHLLOKOSA-N 2 0 329.489 -0.110 20 0 EBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@H]2C[NH2+]CCO2)c1 ZINC000188135791 154148476 /nfs/dbraw/zinc/14/84/76/154148476.db2.gz BSMZGMMHXVMODZ-OAHLLOKOSA-N 2 0 334.420 -0.417 20 0 EBADRP O=C(NC[C@@H]1CCCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1)[C@H]1CCC[NH2+]1 ZINC000245559107 154180432 /nfs/dbraw/zinc/18/04/32/154180432.db2.gz UAVFXRVPZXKCHF-WOSRLPQWSA-N 2 0 326.416 -0.205 20 0 EBADRP COCC1(CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC[NH2+]CC1 ZINC000261739736 154199666 /nfs/dbraw/zinc/19/96/66/154199666.db2.gz NULCURQEELQEFP-CQSZACIVSA-N 2 0 340.468 -0.471 20 0 EBADRP NC(=O)NC(=O)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261962078 154206155 /nfs/dbraw/zinc/20/61/55/154206155.db2.gz XYHSSHNZOCYANL-RYUDHWBXSA-N 2 0 325.413 -0.848 20 0 EBADRP CS(=O)(=O)NCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261943368 154206334 /nfs/dbraw/zinc/20/63/34/154206334.db2.gz XSVBDPYJLHSCBO-STQMWFEESA-N 2 0 332.470 -0.884 20 0 EBADRP COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000262268795 154222021 /nfs/dbraw/zinc/22/20/21/154222021.db2.gz YHJRHVWAQULLAQ-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP COC[C@H]([NH3+])C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000262354658 154227215 /nfs/dbraw/zinc/22/72/15/154227215.db2.gz UVPRVBFTCJWIDD-HOTGVXAUSA-N 2 0 348.447 -0.026 20 0 EBADRP [NH3+]CC(=O)NCC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000262376490 154229026 /nfs/dbraw/zinc/22/90/26/154229026.db2.gz JQCDLXAKNCUGQG-UHFFFAOYSA-N 2 0 347.463 -0.220 20 0 EBADRP CO[C@H](C[NH3+])CC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000262785580 154246951 /nfs/dbraw/zinc/24/69/51/154246951.db2.gz COSAPAOMWDGVHA-HNNXBMFYSA-N 2 0 336.436 -0.042 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+](CCOC)CC1)C1CC1 ZINC000343027563 156088100 /nfs/dbraw/zinc/08/81/00/156088100.db2.gz YTHBHOBDOPIZFS-UHFFFAOYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NCC[NH+](C)C2CC2)CCCO1 ZINC000343308201 156122014 /nfs/dbraw/zinc/12/20/14/156122014.db2.gz KWSJYJCYZHFSSO-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP COC(=O)CC[C@H]([NH3+])C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000343454628 156136768 /nfs/dbraw/zinc/13/67/68/156136768.db2.gz IQVOCGBYEXWFDN-AWEZNQCLSA-N 2 0 349.435 -0.270 20 0 EBADRP CN1CC[C@H]([NH+](C)CCOCC[N@@H+](C)[C@H]2CCN(C)C2=O)C1=O ZINC000343734793 156163149 /nfs/dbraw/zinc/16/31/49/156163149.db2.gz FLKQXRSWTLZENO-KBPBESRZSA-N 2 0 326.441 -0.672 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C)CC[C@@H]2C)C1 ZINC000343887847 156177300 /nfs/dbraw/zinc/17/73/00/156177300.db2.gz KEASMFWOBHEFCX-UONOGXRCSA-N 2 0 326.441 -0.624 20 0 EBADRP C[C@H]1[C@@H](NC(=O)C(=O)NCC2CC[NH+](CCO)CC2)CCC[N@@H+]1C ZINC000344662253 156253196 /nfs/dbraw/zinc/25/31/96/156253196.db2.gz GPALYPSHWZOGOS-ZFWWWQNUSA-N 2 0 340.468 -0.594 20 0 EBADRP C[C@H]1[C@@H](NC(=O)NCCC(=O)N2CCN(C)CC2)CCC[N@@H+]1C ZINC000345550491 156342841 /nfs/dbraw/zinc/34/28/41/156342841.db2.gz QFRMTEAXKOKUBF-KBPBESRZSA-N 2 0 325.457 -0.068 20 0 EBADRP CC[NH+]1CCN(CC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000346057470 156380599 /nfs/dbraw/zinc/38/05/99/156380599.db2.gz GZUYMKXFVJSOPI-HNNXBMFYSA-N 2 0 339.484 -0.673 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000352045313 156745464 /nfs/dbraw/zinc/74/54/64/156745464.db2.gz OEGULSQOLBGTRY-KGLIPLIRSA-N 2 0 328.457 -0.249 20 0 EBADRP CC[NH+]1CCN(CCC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)CC1 ZINC000356925597 157104432 /nfs/dbraw/zinc/10/44/32/157104432.db2.gz URVLMCBVAVGYSH-HOTGVXAUSA-N 2 0 326.485 -0.073 20 0 EBADRP C[NH2+][C@@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1cnn(C)c1 ZINC000357240815 157128118 /nfs/dbraw/zinc/12/81/18/157128118.db2.gz KGOYRZCOHNPNIB-MRXNPFEDSA-N 2 0 348.451 -0.553 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000357242198 157130085 /nfs/dbraw/zinc/13/00/85/157130085.db2.gz MDAZEPUHQPNLKB-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000357579523 157155874 /nfs/dbraw/zinc/15/58/74/157155874.db2.gz PDHVGXAOXAPJKF-KGLIPLIRSA-N 2 0 340.468 -0.188 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000357574312 157156237 /nfs/dbraw/zinc/15/62/37/157156237.db2.gz JNVUAYROEXYJBF-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@H](C[NH+](C)C)NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000358503327 157251088 /nfs/dbraw/zinc/25/10/88/157251088.db2.gz QBOGEOVJEDEYSN-CQSZACIVSA-N 2 0 325.457 -0.114 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000358558483 157258832 /nfs/dbraw/zinc/25/88/32/157258832.db2.gz JFYQHEYWQBXWJE-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000358573434 157262910 /nfs/dbraw/zinc/26/29/10/157262910.db2.gz RNUZSCOXVXDQJE-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000359261764 157307859 /nfs/dbraw/zinc/30/78/59/157307859.db2.gz LJSRCRBHAMULMT-UONOGXRCSA-N 2 0 327.473 -0.805 20 0 EBADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCCOCC[NH+](C)C ZINC000360274445 157370823 /nfs/dbraw/zinc/37/08/23/157370823.db2.gz YFMBIAIYKWBNCH-AWEZNQCLSA-N 2 0 342.484 -0.131 20 0 EBADRP CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])N1CC[NH+](C)CC1 ZINC000517741595 418942990 /nfs/dbraw/zinc/94/29/90/418942990.db2.gz BSSBHASRSWRVIY-RRFJBIMHSA-N 2 0 341.500 -0.383 20 0 EBADRP CSC1(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000521311967 418952523 /nfs/dbraw/zinc/95/25/23/418952523.db2.gz MSNKKZKNYJNSIS-UHFFFAOYSA-N 2 0 330.498 -0.050 20 0 EBADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419900743 419021474 /nfs/dbraw/zinc/02/14/74/419021474.db2.gz STDCWGNRYVTYGN-ZIAGYGMSSA-N 2 0 328.457 -0.153 20 0 EBADRP CCCN(C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C)[C@@H]1CC[N@H+](C)C1 ZINC000647032978 418978013 /nfs/dbraw/zinc/97/80/13/418978013.db2.gz IVDJUTUNRRKHFF-CABCVRRESA-N 2 0 339.484 -0.709 20 0 EBADRP CN(CC1C[NH+](C)C1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000660864530 418997548 /nfs/dbraw/zinc/99/75/48/418997548.db2.gz OEXAGDHEIADUCL-INIZCTEOSA-N 2 0 339.484 -0.404 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCN(c3ncccc3F)C2)CC1 ZINC000518757527 419106423 /nfs/dbraw/zinc/10/64/23/419106423.db2.gz DOQVFLTVZHPZQH-LSDHHAIUSA-N 2 0 337.443 -0.003 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000647597090 419122414 /nfs/dbraw/zinc/12/24/14/419122414.db2.gz LLJCRJXPBSXSDP-SOUVJXGZSA-N 2 0 339.484 -0.533 20 0 EBADRP C[C@@H]1CN(C[C@H](O)C[NH2+]CCCN2C(=O)CCC2=O)C[C@@H](C)O1 ZINC000644547880 419169250 /nfs/dbraw/zinc/16/92/50/419169250.db2.gz DQCHYBSOMBSHEV-MGPQQGTHSA-N 2 0 327.425 -0.415 20 0 EBADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@H](O)CN3CCOCC3)C2)CC1 ZINC000644562012 419169301 /nfs/dbraw/zinc/16/93/01/419169301.db2.gz NZIYEOZZEBZAHM-RDJZCZTQSA-N 2 0 326.485 -0.562 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000644529415 419169448 /nfs/dbraw/zinc/16/94/48/419169448.db2.gz IGPCPVDQMUIKNS-RDJZCZTQSA-N 2 0 332.448 -0.010 20 0 EBADRP O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000516766874 419178324 /nfs/dbraw/zinc/17/83/24/419178324.db2.gz DDUINQQRMRIAIJ-LSDHHAIUSA-N 2 0 348.451 -0.176 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652692049 419180955 /nfs/dbraw/zinc/18/09/55/419180955.db2.gz HJWWUYHNDIFBCX-CQSZACIVSA-N 2 0 326.441 -0.671 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000652681510 419251217 /nfs/dbraw/zinc/25/12/17/419251217.db2.gz LWJZRJXVBZNFBK-NWANDNLSSA-N 2 0 340.468 -0.345 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)NCC[N@H+](CC)C2CC2)C[C@H]1C[NH3+] ZINC000652684044 419253568 /nfs/dbraw/zinc/25/35/68/419253568.db2.gz DNVNNWINJGIIBJ-TZMCWYRMSA-N 2 0 326.441 -0.591 20 0 EBADRP CC(C)(C(N)=O)N1CCN(C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652315380 419232600 /nfs/dbraw/zinc/23/26/00/419232600.db2.gz UGALJAMLORPVAN-UHFFFAOYSA-N 2 0 325.457 -0.033 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cn1 ZINC000652623214 419241452 /nfs/dbraw/zinc/24/14/52/419241452.db2.gz CSFXBRTWESZTDI-GXTWGEPZSA-N 2 0 334.424 -0.406 20 0 EBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000652704026 419301276 /nfs/dbraw/zinc/30/12/76/419301276.db2.gz DLXORTXMOLDNRY-CQSZACIVSA-N 2 0 328.457 -0.425 20 0 EBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000652705478 419301426 /nfs/dbraw/zinc/30/14/26/419301426.db2.gz IRRDDZFVFSSQAZ-KGLIPLIRSA-N 2 0 328.457 -0.345 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652712933 419303890 /nfs/dbraw/zinc/30/38/90/419303890.db2.gz DOTIUVLXNCGEAM-AWEZNQCLSA-N 2 0 340.468 -0.199 20 0 EBADRP COC(=O)[C@@H]1CN(C(=O)NCC[NH+]2CCCOCC2)CC[N@H+](C)C1 ZINC000413572898 419308557 /nfs/dbraw/zinc/30/85/57/419308557.db2.gz RZCGLBLTCDZPSS-AWEZNQCLSA-N 2 0 342.440 -0.545 20 0 EBADRP CC[C@H]1C[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC[C@@H]1[NH3+] ZINC000647936935 419328165 /nfs/dbraw/zinc/32/81/65/419328165.db2.gz NQPRRUWTZUHTRL-RYUDHWBXSA-N 2 0 334.424 -0.507 20 0 EBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)CCO1 ZINC000652731416 419331183 /nfs/dbraw/zinc/33/11/83/419331183.db2.gz JQJNWEVVNVXJEE-ZIAGYGMSSA-N 2 0 326.441 -0.495 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NCC[N@@H+](C)C2CC2)CCSC1 ZINC000340433810 419359509 /nfs/dbraw/zinc/35/95/09/419359509.db2.gz QPOPZYCDFUTHJV-HNNXBMFYSA-N 2 0 328.482 -0.250 20 0 EBADRP Cn1cnn(CCC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1=O ZINC000645407641 419459447 /nfs/dbraw/zinc/45/94/47/419459447.db2.gz LZGAMXOEVSBROL-ZDUSSCGKSA-N 2 0 336.440 -0.743 20 0 EBADRP COC(=O)[C@]1(C)CC[N@@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000532349530 419602518 /nfs/dbraw/zinc/60/25/18/419602518.db2.gz GEKRPDMGEFXINN-MLGOLLRUSA-N 2 0 325.409 -0.049 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000358578635 419674954 /nfs/dbraw/zinc/67/49/54/419674954.db2.gz TWODZCIEBWXFJD-UHFFFAOYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CCO1 ZINC000659708923 419768621 /nfs/dbraw/zinc/76/86/21/419768621.db2.gz CBVQUBUIWJTKRJ-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000419878543 419815192 /nfs/dbraw/zinc/81/51/92/419815192.db2.gz JKWXWHCKFJFEGU-HNNXBMFYSA-N 2 0 337.468 -0.905 20 0 EBADRP CCC[NH2+]CCNC(=O)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000419908646 419818261 /nfs/dbraw/zinc/81/82/61/419818261.db2.gz IZTUWJGHBDPPSR-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000419960552 419820397 /nfs/dbraw/zinc/82/03/97/419820397.db2.gz WILJGMUABYRDFK-KGLIPLIRSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000419959650 419820940 /nfs/dbraw/zinc/82/09/40/419820940.db2.gz RJHRCJMWTPPVCG-HUUCEWRRSA-N 2 0 339.484 -0.674 20 0 EBADRP CCC[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000419935511 419825435 /nfs/dbraw/zinc/82/54/35/419825435.db2.gz SGHOOWQHTDAAJN-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000419947953 419828490 /nfs/dbraw/zinc/82/84/90/419828490.db2.gz YFOOWAQFQABVRK-KBPBESRZSA-N 2 0 339.484 -0.676 20 0 EBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000419947954 419829898 /nfs/dbraw/zinc/82/98/98/419829898.db2.gz YFOOWAQFQABVRK-KGLIPLIRSA-N 2 0 339.484 -0.676 20 0 EBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000423064672 419920930 /nfs/dbraw/zinc/92/09/30/419920930.db2.gz ZKWZTYWFKVFDPA-KBPBESRZSA-N 2 0 326.441 -0.495 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)CC[NH2+]1 ZINC000423188895 419924046 /nfs/dbraw/zinc/92/40/46/419924046.db2.gz ZPQUKGZDHWTDBY-KBPBESRZSA-N 2 0 338.452 -0.482 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423202303 419924179 /nfs/dbraw/zinc/92/41/79/419924179.db2.gz AMVIRCVPUYMFKV-YOEHRIQHSA-N 2 0 340.468 -0.247 20 0 EBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000423206083 419924341 /nfs/dbraw/zinc/92/43/41/419924341.db2.gz FTAWJXBOJJYEKV-ZIAGYGMSSA-N 2 0 326.441 -0.624 20 0 EBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000423064674 419919857 /nfs/dbraw/zinc/91/98/57/419919857.db2.gz ZKWZTYWFKVFDPA-UONOGXRCSA-N 2 0 326.441 -0.495 20 0 EBADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000423265202 419929934 /nfs/dbraw/zinc/92/99/34/419929934.db2.gz ZOZYXBYFADGDDO-UHFFFAOYSA-N 2 0 349.435 -0.193 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C[C@H](C)[NH2+]1 ZINC000423289869 419934596 /nfs/dbraw/zinc/93/45/96/419934596.db2.gz BUYOAIBAACBDEA-OKILXGFUSA-N 2 0 340.468 -0.236 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCC([NH3+])CC1 ZINC000423262018 419925050 /nfs/dbraw/zinc/92/50/50/419925050.db2.gz LKMVXXPCMWOZMS-UHFFFAOYSA-N 2 0 328.457 -0.247 20 0 EBADRP O=C([C@@H]1CCn2ccnc2C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000527593637 419948606 /nfs/dbraw/zinc/94/86/06/419948606.db2.gz JXMRDUZDKCNODE-CQSZACIVSA-N 2 0 346.435 -0.385 20 0 EBADRP CC[NH+](CC)CCS(=O)(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000645835361 420520592 /nfs/dbraw/zinc/52/05/92/420520592.db2.gz OXOKIOTUZOOBFJ-ZDUSSCGKSA-N 2 0 334.486 -0.290 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529335097 420763119 /nfs/dbraw/zinc/76/31/19/420763119.db2.gz YDFPEZLODKCRLB-CYBMUJFWSA-N 2 0 326.445 -0.678 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000529386419 420765520 /nfs/dbraw/zinc/76/55/20/420765520.db2.gz KXQHAEVYSCXMFD-LSDHHAIUSA-N 2 0 326.441 -0.271 20 0 EBADRP CCN1CCO[C@@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)C1 ZINC000529753466 420771594 /nfs/dbraw/zinc/77/15/94/420771594.db2.gz RLFWRWMABXDRTR-RHSMWYFYSA-N 2 0 341.452 -0.561 20 0 EBADRP C[NH+]1CCN(CCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000522848735 420723692 /nfs/dbraw/zinc/72/36/92/420723692.db2.gz QEDWYHZUKMQKIF-LJQANCHMSA-N 2 0 346.475 -0.013 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000649320889 420799887 /nfs/dbraw/zinc/79/98/87/420799887.db2.gz DJHILGLGUNZOMO-GUTXKFCHSA-N 2 0 326.441 -0.857 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCO[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000649410464 420807590 /nfs/dbraw/zinc/80/75/90/420807590.db2.gz BYVQQHQTWAZKHR-OAGGEKHMSA-N 2 0 342.484 -0.493 20 0 EBADRP C[NH+](C)[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C[C@@H]1O ZINC000655096158 420852437 /nfs/dbraw/zinc/85/24/37/420852437.db2.gz FZGHEIAHNNGPKF-UGUYLWEFSA-N 2 0 325.453 -0.133 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656024393 420866114 /nfs/dbraw/zinc/86/61/14/420866114.db2.gz LXZYQXWOULMREY-QKGCVVFFSA-N 2 0 340.468 -0.143 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656023082 420866508 /nfs/dbraw/zinc/86/65/08/420866508.db2.gz UOBSWKMUQOQOHA-XQLPTFJDSA-N 2 0 340.468 -0.141 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NCC[NH2+]C1CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656022391 420867052 /nfs/dbraw/zinc/86/70/52/420867052.db2.gz YBJMYQYDRARYHR-RWMBFGLXSA-N 2 0 326.441 -0.532 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656039481 420868606 /nfs/dbraw/zinc/86/86/06/420868606.db2.gz AMZHKSUHFAEORT-MELADBBJSA-N 2 0 326.441 -0.578 20 0 EBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656062340 420871266 /nfs/dbraw/zinc/87/12/66/420871266.db2.gz FNZOULHGFIJSDE-QLFBSQMISA-N 2 0 338.452 -0.794 20 0 EBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656072642 420873130 /nfs/dbraw/zinc/87/31/30/420873130.db2.gz ULSMVHRGILGVET-LSDHHAIUSA-N 2 0 338.452 -0.792 20 0 EBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656075268 420873844 /nfs/dbraw/zinc/87/38/44/420873844.db2.gz HGTRRTNPMFEUJS-BARDWOONSA-N 2 0 338.452 -0.938 20 0 EBADRP CCN1C[C@@H](C)N(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@H]1C ZINC000656076657 420875316 /nfs/dbraw/zinc/87/53/16/420875316.db2.gz FNOZXIJPFYXBFL-APIJFGDWSA-N 2 0 338.452 -0.795 20 0 EBADRP CC(C)[NH+](CCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C(C)C ZINC000656281921 420884678 /nfs/dbraw/zinc/88/46/78/420884678.db2.gz HHWYGGGQXQIJCN-LSDHHAIUSA-N 2 0 340.468 -0.501 20 0 EBADRP O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656299427 420886434 /nfs/dbraw/zinc/88/64/34/420886434.db2.gz SPVBONCZHIGNDP-CBBWQLFWSA-N 2 0 336.436 -0.993 20 0 EBADRP C[C@H](NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C1=CC[NH+](C)CC1 ZINC000656336081 420892626 /nfs/dbraw/zinc/89/26/26/420892626.db2.gz UVNBGZZDZSHGTD-AEGPPILISA-N 2 0 336.436 -0.970 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C[N@@H+]1C1CC1 ZINC000656334705 420892761 /nfs/dbraw/zinc/89/27/61/420892761.db2.gz SALXHIYFLBWLNM-PAPYEOQZSA-N 2 0 336.436 -0.995 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000658537924 420960694 /nfs/dbraw/zinc/96/06/94/420960694.db2.gz YZRGHROIBRXSSX-CABCVRRESA-N 2 0 340.468 -0.567 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000659318658 420996360 /nfs/dbraw/zinc/99/63/60/420996360.db2.gz QDQCUVJAFLOZHR-OAHLLOKOSA-N 3 0 341.500 -0.509 20 0 EBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCC34CC(C3)C[NH2+]4)C2)CC1 ZINC000659681819 421012618 /nfs/dbraw/zinc/01/26/18/421012618.db2.gz ATBYFQLGNQEZJT-TXKKKEFDSA-N 2 0 349.479 -0.861 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000659679082 421013222 /nfs/dbraw/zinc/01/32/22/421013222.db2.gz DEUBNTOTHQJNGN-QEJZJMRPSA-N 2 0 340.468 -0.405 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000659680471 421013455 /nfs/dbraw/zinc/01/34/55/421013455.db2.gz NMFVXKUKRKPVQZ-CYBMUJFWSA-N 2 0 328.457 -0.345 20 0 EBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC4CC3(C[NH3+])C4)C2)CC1 ZINC000659683038 421013468 /nfs/dbraw/zinc/01/34/68/421013468.db2.gz RSWUIWNEGIFCBG-FVRSWCFKSA-N 2 0 349.479 -0.779 20 0 EBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659700057 421017023 /nfs/dbraw/zinc/01/70/23/421017023.db2.gz ZAFUZFPBMNXDMN-JTQLQIEISA-N 2 0 338.412 -0.896 20 0 EBADRP CC[NH2+]CCCNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000659709229 421017997 /nfs/dbraw/zinc/01/79/97/421017997.db2.gz AGQBNQNKQZIJTB-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCC2CC[NH2+]CC2)CCO1 ZINC000659708840 421018830 /nfs/dbraw/zinc/01/88/30/421018830.db2.gz AEEICQMKNIQNRE-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H](C[NH3+])NC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659716987 421020426 /nfs/dbraw/zinc/02/04/26/421020426.db2.gz DBWDXKACXQWRCN-CYBMUJFWSA-N 2 0 333.436 -0.127 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)CCO1 ZINC000659720147 421021428 /nfs/dbraw/zinc/02/14/28/421021428.db2.gz ANOLYQHCGUPWNN-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000659752213 421030279 /nfs/dbraw/zinc/03/02/79/421030279.db2.gz YMAKLEASQQIEFT-CQSZACIVSA-N 2 0 339.484 -0.804 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000663479254 421132573 /nfs/dbraw/zinc/13/25/73/421132573.db2.gz FABPELMNXOWSFO-KKUMJFAQSA-N 2 0 328.457 -0.341 20 0 EBADRP CN(CCC[NH+](C)C)CCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000662630417 421093333 /nfs/dbraw/zinc/09/33/33/421093333.db2.gz DQGDAYMREXJVLL-CQSZACIVSA-N 2 0 337.472 -0.184 20 0 EBADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C3(O)C[NH2+]C3)c2)CC1 ZINC000662683071 421095644 /nfs/dbraw/zinc/09/56/44/421095644.db2.gz MWTULGICJMRFPL-UHFFFAOYSA-N 2 0 332.404 -0.343 20 0 EBADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)C2(O)C[NH2+]C2)c1 ZINC000662712650 421097922 /nfs/dbraw/zinc/09/79/22/421097922.db2.gz VGHZYNXUWITUBQ-UHFFFAOYSA-N 2 0 337.420 -0.406 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC[C@H]1F ZINC000662934323 421113420 /nfs/dbraw/zinc/11/34/20/421113420.db2.gz LUIMARMYKBJSCD-MGPQQGTHSA-N 2 0 326.416 -0.172 20 0 EBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662947403 421115186 /nfs/dbraw/zinc/11/51/86/421115186.db2.gz OBMGBCQQLMUNGC-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000662951570 421116045 /nfs/dbraw/zinc/11/60/45/421116045.db2.gz MMGCCORNYPZEJO-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662977088 421120007 /nfs/dbraw/zinc/12/00/07/421120007.db2.gz SLHKVJSMVVAVLD-UHFFFAOYSA-N 2 0 339.484 -0.722 20 0 EBADRP C[C@@H]1CN(C)CCN1C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000440287638 421178673 /nfs/dbraw/zinc/17/86/73/421178673.db2.gz ARORJWQHZFMAKP-GFCCVEGCSA-N 2 0 328.376 0.368 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)n1 ZINC000371533131 421192164 /nfs/dbraw/zinc/19/21/64/421192164.db2.gz DNQPVJQZUOORCR-ZIAGYGMSSA-N 2 0 348.451 -0.064 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)n1 ZINC000371533129 421192485 /nfs/dbraw/zinc/19/24/85/421192485.db2.gz DNQPVJQZUOORCR-KGLIPLIRSA-N 2 0 348.451 -0.064 20 0 EBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000626847323 421222287 /nfs/dbraw/zinc/22/22/87/421222287.db2.gz RYUIPQJNBBPCMR-ZDUSSCGKSA-N 2 0 336.440 -0.160 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)n1 ZINC000433382936 421195238 /nfs/dbraw/zinc/19/52/38/421195238.db2.gz QPVJAXJKZDSTAJ-LBPRGKRZSA-N 2 0 332.412 0.213 20 0 EBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000439338515 421207423 /nfs/dbraw/zinc/20/74/23/421207423.db2.gz CKLJIQQRFQNDOY-ZDUSSCGKSA-N 2 0 336.440 -0.064 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2C[NH2+]CCN2C)C[C@@H](C)O1 ZINC000416937207 264810376 /nfs/dbraw/zinc/81/03/76/264810376.db2.gz CQVKWWPLQTWTSR-RBSFLKMASA-N 2 0 327.473 -0.312 20 0 EBADRP [NH3+]CCN(CCO)C(=O)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000418861766 264835010 /nfs/dbraw/zinc/83/50/10/264835010.db2.gz NMWNLOJAXZPTDK-MRXNPFEDSA-N 2 0 348.447 -0.281 20 0 EBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000419752868 264886701 /nfs/dbraw/zinc/88/67/01/264886701.db2.gz MRWTUVYHLLZHFZ-ZDUSSCGKSA-N 2 0 340.468 -0.188 20 0 EBADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419900742 264902889 /nfs/dbraw/zinc/90/28/89/264902889.db2.gz STDCWGNRYVTYGN-UONOGXRCSA-N 2 0 328.457 -0.153 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000423615163 265020064 /nfs/dbraw/zinc/02/00/64/265020064.db2.gz UMUADCAYKINYAU-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP CO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000423682605 265031588 /nfs/dbraw/zinc/03/15/88/265031588.db2.gz WEHLAPGWWGIFPB-RFQIPJPRSA-N 2 0 326.441 -0.498 20 0 EBADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000423723031 265037656 /nfs/dbraw/zinc/03/76/56/265037656.db2.gz GQTDDKYDPMHJLD-XHSDSOJGSA-N 2 0 334.464 -0.003 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2C[NH2+]CCO2)CC1=O ZINC000423984075 265043896 /nfs/dbraw/zinc/04/38/96/265043896.db2.gz BIAMUQSFKUFIQZ-RRFJBIMHSA-N 2 0 338.452 -0.576 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@H]1c1cccc(F)c1 ZINC000424003934 265046013 /nfs/dbraw/zinc/04/60/13/265046013.db2.gz ALKPTMLRIUXGOJ-ZNMIVQPWSA-N 2 0 334.395 -0.053 20 0 EBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000424062412 265048709 /nfs/dbraw/zinc/04/87/09/265048709.db2.gz VKSDQRFYZVBSQT-LBPRGKRZSA-N 2 0 334.424 -0.620 20 0 EBADRP CNC(=O)[C@]1(C)CC[N@H+](C[C@@H](O)C[NH+]2CC[C@](C)(C(=O)NC)C2)C1 ZINC000430254949 265145807 /nfs/dbraw/zinc/14/58/07/265145807.db2.gz VWWMLGNMCPXTIY-FFGGFLGDSA-N 2 0 340.468 -0.737 20 0 EBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCc2nnnn2-c2ccccc2)C1 ZINC000430602645 265150343 /nfs/dbraw/zinc/15/03/43/265150343.db2.gz HMEOVSBTKPOBQV-AWEZNQCLSA-N 2 0 343.435 -0.008 20 0 EBADRP COCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430652121 265152102 /nfs/dbraw/zinc/15/21/02/265152102.db2.gz MQJLWUWZYJWXEQ-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NC1CCOCC1 ZINC000430643372 265152653 /nfs/dbraw/zinc/15/26/53/265152653.db2.gz QWPQLHQQCJANSY-CQSZACIVSA-N 2 0 338.452 -0.575 20 0 EBADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000430924998 265156636 /nfs/dbraw/zinc/15/66/36/265156636.db2.gz JONXZVOAWMIZFQ-LBPRGKRZSA-N 2 0 334.486 -0.557 20 0 EBADRP C[C@@H]([NH3+])C1CC[NH+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000430936235 265156843 /nfs/dbraw/zinc/15/68/43/265156843.db2.gz TUFMJQZGTRNUBQ-GFCCVEGCSA-N 2 0 348.451 -0.117 20 0 EBADRP C[C@@H]1C[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[C@@H]1[NH3+] ZINC000430929204 265157282 /nfs/dbraw/zinc/15/72/82/265157282.db2.gz NWMYGZYKFOYDCV-NEPJUHHUSA-N 2 0 334.424 -0.507 20 0 EBADRP CCS(=O)(=O)NCCCNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433123117 265186419 /nfs/dbraw/zinc/18/64/19/265186419.db2.gz YEOPFRYWOKNFRC-UHFFFAOYSA-N 2 0 334.486 -0.365 20 0 EBADRP Cn1nncc1S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000440053572 265275798 /nfs/dbraw/zinc/27/57/98/265275798.db2.gz RBIRVGIDRGOZOQ-UHFFFAOYSA-N 2 0 332.474 -0.291 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnnn1C ZINC000440054931 265275999 /nfs/dbraw/zinc/27/59/99/265275999.db2.gz VVECYTYYPGZGIZ-CYBMUJFWSA-N 2 0 344.485 -0.148 20 0 EBADRP CN1CC[NH2+]C[C@H]1CNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529340922 265702595 /nfs/dbraw/zinc/70/25/95/265702595.db2.gz IZDDFSKKEPYTEG-HOTGVXAUSA-N 2 0 339.484 -0.310 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000420185312 272823285 /nfs/dbraw/zinc/82/32/85/272823285.db2.gz PCWBURGVNZWSNR-KGLIPLIRSA-N 2 0 328.457 -0.425 20 0 EBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000332699711 288307070 /nfs/dbraw/zinc/30/70/70/288307070.db2.gz XUBHLAAHVGXLKF-ILXRZTDVSA-N 2 0 338.452 -0.530 20 0 EBADRP CCN(C(=O)C(=O)NCCCC[NH+]1CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC000668513049 545706872 /nfs/dbraw/zinc/70/68/72/545706872.db2.gz XKHXKVAVDVKTME-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000670671962 545713809 /nfs/dbraw/zinc/71/38/09/545713809.db2.gz NCVYPNXXEQDWND-CABCVRRESA-N 2 0 340.468 -0.330 20 0 EBADRP CCN(C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C)[C@@H]1CC[N@H+](CC)C1 ZINC000668891697 545783120 /nfs/dbraw/zinc/78/31/20/545783120.db2.gz CHNPCPXOSYCLLT-CABCVRRESA-N 2 0 339.484 -0.709 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NCCC2(C[NH3+])CC2)CCSC1 ZINC000652685511 545831046 /nfs/dbraw/zinc/83/10/46/545831046.db2.gz NBKRCVCFNLLJDX-HNNXBMFYSA-N 2 0 328.482 -0.215 20 0 EBADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)[C@@H](C)C[NH2+]1 ZINC000669486535 545879387 /nfs/dbraw/zinc/87/93/87/545879387.db2.gz UQAIMRSKWJJBFW-OWCLPIDISA-N 2 0 339.484 -0.215 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000671033640 545899101 /nfs/dbraw/zinc/89/91/01/545899101.db2.gz QJOHKHSMDHVBHL-OAHLLOKOSA-N 2 0 339.484 -0.659 20 0 EBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000342979007 545920649 /nfs/dbraw/zinc/92/06/49/545920649.db2.gz SBSBQWMVSVAQCY-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH+](C)CCCN1C(=O)C[C@H]([NH+]2CCC3(CNC(=O)C3)CC2)C1=O ZINC000531442373 545996112 /nfs/dbraw/zinc/99/61/12/545996112.db2.gz NKSFHIRJYJFFKZ-ZDUSSCGKSA-N 2 0 336.436 -0.332 20 0 EBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666975528 546046986 /nfs/dbraw/zinc/04/69/86/546046986.db2.gz QYNORQCLWBDBTC-ZBFHGGJFSA-N 2 0 328.457 -0.149 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000672004477 546077498 /nfs/dbraw/zinc/07/74/98/546077498.db2.gz WCJVTOGQDNFYCI-AWEZNQCLSA-N 2 0 328.457 -0.330 20 0 EBADRP Cc1cc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ncn1 ZINC000672631272 546114160 /nfs/dbraw/zinc/11/41/60/546114160.db2.gz QITQIVYVSGTVJJ-UHFFFAOYSA-N 2 0 336.440 -0.647 20 0 EBADRP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CC1 ZINC000677875845 546238567 /nfs/dbraw/zinc/23/85/67/546238567.db2.gz WAIFHBXVBJMINU-HOTGVXAUSA-N 2 0 349.479 -0.683 20 0 EBADRP Cc1cn(C)c(CC(=O)NCC[NH+](C)C)c1C(=O)NCC[NH+](C)C ZINC000279733704 546380502 /nfs/dbraw/zinc/38/05/02/546380502.db2.gz NVLCERNONPJBFI-UHFFFAOYSA-N 2 0 337.468 -0.155 20 0 EBADRP COCCC1(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC[NH2+]CC1 ZINC000891540267 582557786 /nfs/dbraw/zinc/55/77/86/582557786.db2.gz PPOYGVKJWVHALV-CQSZACIVSA-N 2 0 327.473 -0.310 20 0 EBADRP C[C@H](C[NH3+])CNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892044995 582566472 /nfs/dbraw/zinc/56/64/72/582566472.db2.gz QVYZMPWUHBHVFR-CABCVRRESA-N 2 0 327.473 -0.323 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892198752 582569435 /nfs/dbraw/zinc/56/94/35/582569435.db2.gz FOSBCEPNXHBJDC-YYHQMBLXSA-N 2 0 325.413 -0.311 20 0 EBADRP [NH3+]C1(CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCCC1 ZINC000892248144 582571894 /nfs/dbraw/zinc/57/18/94/582571894.db2.gz BQKXMEMECVJKBE-XQQFMLRXSA-N 2 0 337.424 -0.166 20 0 EBADRP COCCN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000892295530 582573455 /nfs/dbraw/zinc/57/34/55/582573455.db2.gz QYFSCTYXHLQEHU-HNNXBMFYSA-N 2 0 328.457 -0.025 20 0 EBADRP C[NH+]1CCC(O)(CNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892776649 582587688 /nfs/dbraw/zinc/58/76/88/582587688.db2.gz HGKOIFCJGYZVMD-AWEZNQCLSA-N 2 0 340.468 -0.099 20 0 EBADRP O=C(NCC[NH+]1CCCOCC1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000895045951 582638476 /nfs/dbraw/zinc/63/84/76/582638476.db2.gz CZWVSXBABXIZPU-HOTGVXAUSA-N 2 0 340.468 -0.051 20 0 EBADRP NC(=O)CNC(=S)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000727081607 582643785 /nfs/dbraw/zinc/64/37/85/582643785.db2.gz BGZWZVWESPRRGT-UHFFFAOYSA-N 2 0 336.465 -0.457 20 0 EBADRP C[C@@H]1CC[N@H+](CCNC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C1 ZINC000895968485 582655512 /nfs/dbraw/zinc/65/55/12/582655512.db2.gz OKBZXBCTXYIPDS-KGLIPLIRSA-N 2 0 325.457 -0.033 20 0 EBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C3C[NH+]([C@@H]4CCOC4)C3)CC2)C1 ZINC000896390506 582663010 /nfs/dbraw/zinc/66/30/10/582663010.db2.gz SGIMGPHVYJXXPH-IAGOWNOFSA-N 2 0 336.480 -0.055 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000897514589 582694516 /nfs/dbraw/zinc/69/45/16/582694516.db2.gz UFFQPQGMWCJECM-CQSZACIVSA-N 2 0 325.457 -0.114 20 0 EBADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000900693479 582779237 /nfs/dbraw/zinc/77/92/37/582779237.db2.gz UFVSNXFZRRKKQE-DOTOQJQBSA-N 2 0 326.485 -0.074 20 0 EBADRP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000901107537 582792646 /nfs/dbraw/zinc/79/26/46/582792646.db2.gz YHVBZXKIJQKOBM-VBQJREDUSA-N 2 0 338.452 -0.794 20 0 EBADRP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1C[C@@H]3CCC[C@]3(C(N)=O)C1)C2=O ZINC000902618078 582804420 /nfs/dbraw/zinc/80/44/20/582804420.db2.gz ZMHNHOFBGDGKNS-LRDDRELGSA-N 2 0 349.435 -0.453 20 0 EBADRP COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903491954 582809252 /nfs/dbraw/zinc/80/92/52/582809252.db2.gz HNHQWTDAHQSTAQ-IATRGZMQSA-N 2 0 327.425 -0.260 20 0 EBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCCS(=O)(=O)N(C)C)C2 ZINC000903492623 582809831 /nfs/dbraw/zinc/80/98/31/582809831.db2.gz HYPIXXSMSOCLJM-SCRDCRAPSA-N 2 0 333.454 -0.520 20 0 EBADRP C[NH+](C)CC[C@@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)c1cccnc1 ZINC000903591205 582813715 /nfs/dbraw/zinc/81/37/15/582813715.db2.gz JINBFTQWVSJRCW-LSDHHAIUSA-N 2 0 342.465 -0.018 20 0 EBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000903719463 582814283 /nfs/dbraw/zinc/81/42/83/582814283.db2.gz LQLMCUYBSORQEQ-GHMZBOCLSA-N 2 0 336.358 -0.111 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903735767 582815885 /nfs/dbraw/zinc/81/58/85/582815885.db2.gz DJZUXKZFJZZCCC-FUHWJXTLSA-N 2 0 336.480 -0.005 20 0 EBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H]3COCCO3)C2)CC1 ZINC000734274963 582870514 /nfs/dbraw/zinc/87/05/14/582870514.db2.gz UYYPTTGETTUFJW-DZGCQCFKSA-N 2 0 326.441 -0.131 20 0 EBADRP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000838301447 583053460 /nfs/dbraw/zinc/05/34/60/583053460.db2.gz DLHWXGXZDBYNKT-HRCADAONSA-N 2 0 340.468 -0.004 20 0 EBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804058360 583640432 /nfs/dbraw/zinc/64/04/32/583640432.db2.gz ZYYOBVPTSNUQHG-RRFJBIMHSA-N 2 0 340.468 -0.188 20 0 EBADRP COCC[N@H+](C)CCNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000825924731 583870954 /nfs/dbraw/zinc/87/09/54/583870954.db2.gz DXCAVLHMYZRMPW-CYBMUJFWSA-N 2 0 329.445 -0.674 20 0 EBADRP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841851455 584055311 /nfs/dbraw/zinc/05/53/11/584055311.db2.gz WHZMMECVEQASAN-VXGBXAGGSA-N 2 0 338.374 -0.293 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)[NH+]1CCCCC1 ZINC000842016311 584056460 /nfs/dbraw/zinc/05/64/60/584056460.db2.gz UBHOJUWVWUJIRG-HZSPNIEDSA-N 2 0 326.441 -0.448 20 0 EBADRP CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC[NH2+]1 ZINC000842164447 584058665 /nfs/dbraw/zinc/05/86/65/584058665.db2.gz LFWBJEUIFKOPMR-RRFJBIMHSA-N 2 0 338.452 -0.578 20 0 EBADRP Cn1nc(Br)c2c1ncnc2NCCNC(=O)C[NH3+] ZINC000843431679 584077766 /nfs/dbraw/zinc/07/77/66/584077766.db2.gz 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GJQQUBKWKFRFCL-TUAOUCFPSA-N 2 0 332.395 -0.115 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877143914 584529141 /nfs/dbraw/zinc/52/91/41/584529141.db2.gz YIACXQIQESUDEJ-FMKPAKJESA-N 3 0 341.500 -0.716 20 0 EBADRP COC(=O)CN(C)C(=O)CC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879593349 584554969 /nfs/dbraw/zinc/55/49/69/584554969.db2.gz YCWJFKJWLPWGFP-UHFFFAOYSA-N 2 0 340.468 -0.280 20 0 EBADRP CC[N@@H+]1CC[C@H]1CNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000883421480 584600900 /nfs/dbraw/zinc/60/09/00/584600900.db2.gz NEWBRPPPHZRZED-HOTGVXAUSA-N 2 0 339.484 -0.214 20 0 EBADRP c1nnnn1CC[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000883437661 584601367 /nfs/dbraw/zinc/60/13/67/584601367.db2.gz XTSPBXWUMZCDAB-ZDUSSCGKSA-N 2 0 331.428 -0.315 20 0 EBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000883638397 584603923 /nfs/dbraw/zinc/60/39/23/584603923.db2.gz LDQDSYDCFKYRKH-KBPBESRZSA-N 2 0 331.420 -0.061 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CCN1c1cc[nH+]cc1 ZINC000883640305 584604054 /nfs/dbraw/zinc/60/40/54/584604054.db2.gz LUECEFGWVJFGMR-HIFRSBDPSA-N 2 0 347.419 -0.695 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N2CCC[NH2+]CC2)CCN1c1cc[nH+]cc1 ZINC000883638254 584604075 /nfs/dbraw/zinc/60/40/75/584604075.db2.gz HHULQADDNVQMRA-AWEZNQCLSA-N 2 0 331.420 -0.059 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CCN1c1cc[nH+]cc1 ZINC000883638436 584604102 /nfs/dbraw/zinc/60/41/02/584604102.db2.gz MJKSHFWQPKROKD-ZIAGYGMSSA-N 2 0 331.420 -0.074 20 0 EBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000884516890 584625618 /nfs/dbraw/zinc/62/56/18/584625618.db2.gz XKWRAGJYEPNXRI-HUUCEWRRSA-N 2 0 338.452 -0.304 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884587814 584628878 /nfs/dbraw/zinc/62/88/78/584628878.db2.gz RBVMLDPYTHYTQV-AWEZNQCLSA-N 2 0 342.484 -0.035 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000884643160 584631464 /nfs/dbraw/zinc/63/14/64/584631464.db2.gz YQWVDASZFSKHEH-MGPQQGTHSA-N 2 0 326.441 -0.543 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000884662543 584632326 /nfs/dbraw/zinc/63/23/26/584632326.db2.gz SFYKRBOPDQXTKR-KRWDZBQOSA-N 2 0 340.468 -0.327 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NCC[NH2+]C2CC2)CCN1c1cc[nH+]cc1 ZINC000884690308 584634351 /nfs/dbraw/zinc/63/43/51/584634351.db2.gz UQJBLNOYEJTZPN-CYBMUJFWSA-N 2 0 331.420 -0.013 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000884721583 584635728 /nfs/dbraw/zinc/63/57/28/584635728.db2.gz OMNHOEZYXODMQT-AWEZNQCLSA-N 2 0 349.435 -0.529 20 0 EBADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000884726620 584636580 /nfs/dbraw/zinc/63/65/80/584636580.db2.gz XWGOSZZXSORHHC-ZFWWWQNUSA-N 2 0 347.419 -0.777 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000884824737 584639372 /nfs/dbraw/zinc/63/93/72/584639372.db2.gz LAZHXWZWQSBQBL-GBJTYRQASA-N 3 0 339.484 -0.949 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884884200 584640306 /nfs/dbraw/zinc/64/03/06/584640306.db2.gz YJNXLXGFAOSRRQ-AWEZNQCLSA-N 2 0 342.484 -0.083 20 0 EBADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000884966837 584641607 /nfs/dbraw/zinc/64/16/07/584641607.db2.gz VFHFBZCFICFARM-HZSPNIEDSA-N 2 0 338.452 -0.842 20 0 EBADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000884986171 584642193 /nfs/dbraw/zinc/64/21/93/584642193.db2.gz JXFDPQDFLPPSFC-MFOWVQHXSA-N 2 0 326.441 -0.448 20 0 EBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885138156 584644064 /nfs/dbraw/zinc/64/40/64/584644064.db2.gz QZDPUGGSHWUHGF-KGLIPLIRSA-N 2 0 338.452 -0.528 20 0 EBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCC(C)(C)[NH3+])CC2)C1 ZINC000885203869 584645855 /nfs/dbraw/zinc/64/58/55/584645855.db2.gz CLZHFBNXCJMXFU-CQSZACIVSA-N 2 0 339.484 -0.532 20 0 EBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885290884 584647491 /nfs/dbraw/zinc/64/74/91/584647491.db2.gz JIDJJRASRSBKFE-LLVKDONJSA-N 2 0 332.395 -0.100 20 0 EBADRP CCN(C(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)[C@@H]1CC[NH2+]C1 ZINC000887068508 584674920 /nfs/dbraw/zinc/67/49/20/584674920.db2.gz MSANVOSLDVVYQH-OAHLLOKOSA-N 2 0 339.484 -0.707 20 0 EBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000887088226 584676389 /nfs/dbraw/zinc/67/63/89/584676389.db2.gz ZDCDLZHUOLSVGB-LSDHHAIUSA-N 2 0 338.452 -0.493 20 0 EBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N(C)CCN1CCOCC1 ZINC000410908100 584702507 /nfs/dbraw/zinc/70/25/07/584702507.db2.gz GIQPJWUYGORKKP-UHFFFAOYSA-N 2 0 342.484 -0.033 20 0 EBADRP O[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)C[NH+]1CCCC1 ZINC000738383020 598524989 /nfs/dbraw/zinc/52/49/89/598524989.db2.gz UYCPMTGFZZGHHU-RYUDHWBXSA-N 2 0 347.427 -0.849 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000446363054 650011090 /nfs/dbraw/zinc/01/10/90/650011090.db2.gz MCDOCRGGYALPDB-CQSZACIVSA-N 2 0 348.451 -0.272 20 0 EBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000904961242 650052340 /nfs/dbraw/zinc/05/23/40/650052340.db2.gz NZRHCRVMZKQXSU-ZDUSSCGKSA-N 2 0 328.457 -0.391 20 0 EBADRP CN(C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1)C1(C[NH3+])CCOCC1 ZINC000904971827 650053361 /nfs/dbraw/zinc/05/33/61/650053361.db2.gz RBFVUBXNQVKMHC-AWEZNQCLSA-N 2 0 336.436 -0.575 20 0 EBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2CCOC)C1 ZINC000904986318 650055430 /nfs/dbraw/zinc/05/54/30/650055430.db2.gz HPFUIKDPWMTKBK-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000904988081 650055507 /nfs/dbraw/zinc/05/55/07/650055507.db2.gz SLVDWTRKMQGUON-ILXRZTDVSA-N 2 0 338.452 -0.759 20 0 EBADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000904990581 650055612 /nfs/dbraw/zinc/05/56/12/650055612.db2.gz PPJIFFXWMIRZFC-KBPBESRZSA-N 2 0 340.468 -0.513 20 0 EBADRP C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000904989054 650055813 /nfs/dbraw/zinc/05/58/13/650055813.db2.gz YCPKPYPBKZALGI-GRDNDAEWSA-N 2 0 338.452 -0.759 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000904995179 650056667 /nfs/dbraw/zinc/05/66/67/650056667.db2.gz KHRMDMDAEJWWAV-OAHLLOKOSA-N 2 0 340.468 -0.188 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000904995745 650057597 /nfs/dbraw/zinc/05/75/97/650057597.db2.gz NJPTVYQEULJYJD-OAHLLOKOSA-N 2 0 340.468 -0.377 20 0 EBADRP CC[NH+]1CCN(CCCNC(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000906125824 650066446 /nfs/dbraw/zinc/06/64/46/650066446.db2.gz MBHGFMZRMAMMPJ-UHFFFAOYSA-N 2 0 325.501 -0.376 20 0 EBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2COC)CC1 ZINC000905021456 650061251 /nfs/dbraw/zinc/06/12/51/650061251.db2.gz LKFDZUTUYJCCGF-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000905025674 650061590 /nfs/dbraw/zinc/06/15/90/650061590.db2.gz ZJDQPNVRECWPDX-LSDHHAIUSA-N 2 0 338.452 -0.623 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@]23CCC[C@H]2C[NH2+]C3)n1 ZINC000906778115 650071735 /nfs/dbraw/zinc/07/17/35/650071735.db2.gz IXFCVNRAVZCPLO-LRDDRELGSA-N 2 0 334.424 -0.359 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC000909321306 650105377 /nfs/dbraw/zinc/10/53/77/650105377.db2.gz OLQGMWSTBGUZKC-HNNXBMFYSA-N 2 0 340.468 -0.327 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000910954280 650142038 /nfs/dbraw/zinc/14/20/38/650142038.db2.gz YRQUKBYKJOHFHA-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000910959830 650142650 /nfs/dbraw/zinc/14/26/50/650142650.db2.gz RSWFTWKUOYJFJS-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000910975775 650143176 /nfs/dbraw/zinc/14/31/76/650143176.db2.gz GQRFHHJJNALABA-ZDUSSCGKSA-N 2 0 327.473 -0.628 20 0 EBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000911005222 650144610 /nfs/dbraw/zinc/14/46/10/650144610.db2.gz XHDYRCWEDYCDBD-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000911003340 650144772 /nfs/dbraw/zinc/14/47/72/650144772.db2.gz JGZZNSZQSSCQJY-OAHLLOKOSA-N 2 0 340.468 -0.138 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000911014388 650145548 /nfs/dbraw/zinc/14/55/48/650145548.db2.gz JSLJRSOREUXYMD-KBPBESRZSA-N 2 0 326.441 -0.719 20 0 EBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1COC ZINC000911054973 650148058 /nfs/dbraw/zinc/14/80/58/650148058.db2.gz NESMRTVTMHKWMN-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1COC ZINC000911056170 650148865 /nfs/dbraw/zinc/14/88/65/650148865.db2.gz SFLZHBFFSMHGGA-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911072445 650149094 /nfs/dbraw/zinc/14/90/94/650149094.db2.gz LMAPJEGWRMGIQH-KBPBESRZSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000911072243 650149358 /nfs/dbraw/zinc/14/93/58/650149358.db2.gz HOYVDEBGPQKBFR-KBPBESRZSA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911081391 650149771 /nfs/dbraw/zinc/14/97/71/650149771.db2.gz XFRUGHAAVHDDRT-LSDHHAIUSA-N 2 0 339.484 -0.485 20 0 EBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1(C)C ZINC000911096302 650151346 /nfs/dbraw/zinc/15/13/46/650151346.db2.gz JQVOCVJQSHUVLT-AWEZNQCLSA-N 2 0 339.484 -0.674 20 0 EBADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)NCC2([NH3+])CC2)cc1 ZINC000911103255 650151793 /nfs/dbraw/zinc/15/17/93/650151793.db2.gz WPCPGLUNGRRMFN-UHFFFAOYSA-N 2 0 334.420 -0.149 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911177812 650157184 /nfs/dbraw/zinc/15/71/84/650157184.db2.gz XCYOORKXIRSAMU-HZPDHXFCSA-N 2 0 348.447 -0.188 20 0 EBADRP C[NH+](C)CC1CCC(NC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000911185673 650157810 /nfs/dbraw/zinc/15/78/10/650157810.db2.gz BLBCRLSNMIWQKW-MQBCKMQZSA-N 2 0 340.468 -0.465 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911195030 650158300 /nfs/dbraw/zinc/15/83/00/650158300.db2.gz SDSDCQHWVXWURO-STQMWFEESA-N 2 0 326.441 -0.672 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000911189230 650158460 /nfs/dbraw/zinc/15/84/60/650158460.db2.gz ZDJCQMKAPNCMBP-NRXISQOPSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC[C@@H]1C[NH3+] ZINC000911198117 650159026 /nfs/dbraw/zinc/15/90/26/650159026.db2.gz GAPAHKFJSRQUPA-IOASZLSFSA-N 2 0 342.509 -0.017 20 0 EBADRP C[C@H](CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)[N@H+](C)C1CC1 ZINC000911204292 650159772 /nfs/dbraw/zinc/15/97/72/650159772.db2.gz ACIUIVSSWUQUOZ-GFCCVEGCSA-N 2 0 325.457 -0.875 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000911222311 650160702 /nfs/dbraw/zinc/16/07/02/650160702.db2.gz CNPUKITYZPBXFS-CABCVRRESA-N 2 0 338.452 -0.576 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000911231548 650161348 /nfs/dbraw/zinc/16/13/48/650161348.db2.gz OFJCODYXCGEOHF-PBHICJAKSA-N 2 0 340.468 -0.199 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000911163842 650156117 /nfs/dbraw/zinc/15/61/17/650156117.db2.gz ZUWSFGICZRAIDP-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CCCCC1 ZINC000911267509 650164276 /nfs/dbraw/zinc/16/42/76/650164276.db2.gz KOYRWTUFHJSRMS-INIZCTEOSA-N 2 0 340.468 -0.321 20 0 EBADRP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000911277519 650165673 /nfs/dbraw/zinc/16/56/73/650165673.db2.gz UXFURQIFDQHRDG-QLFBSQMISA-N 2 0 338.452 -0.840 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)C[NH+](C)C ZINC000911284912 650166704 /nfs/dbraw/zinc/16/67/04/650166704.db2.gz SONHIWZAKJWUAB-GJZGRUSLSA-N 2 0 336.436 -0.115 20 0 EBADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000911293296 650167187 /nfs/dbraw/zinc/16/71/87/650167187.db2.gz DGSDFPZDOVJZQX-RISCZKNCSA-N 2 0 349.435 -0.007 20 0 EBADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911310867 650169516 /nfs/dbraw/zinc/16/95/16/650169516.db2.gz WMIBVUCWMVSVHW-QLFBSQMISA-N 2 0 340.468 -0.322 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC[NH2+]1 ZINC000911309479 650169637 /nfs/dbraw/zinc/16/96/37/650169637.db2.gz SNNVWPBUJQBAEV-KBUPBQIOSA-N 2 0 338.452 -0.699 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)C[NH+](C)C ZINC000911321328 650170714 /nfs/dbraw/zinc/17/07/14/650170714.db2.gz LFBXRKYTDJMDEX-CQSZACIVSA-N 2 0 328.457 -0.425 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)C[NH+](C)C ZINC000911346498 650173264 /nfs/dbraw/zinc/17/32/64/650173264.db2.gz PBVPCGNJGYMGGG-STQMWFEESA-N 2 0 326.441 -0.530 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1)C[NH+](C)C ZINC000911359734 650174827 /nfs/dbraw/zinc/17/48/27/650174827.db2.gz WDISEYBVBIUQIS-UONOGXRCSA-N 2 0 342.484 -0.036 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911393086 650178433 /nfs/dbraw/zinc/17/84/33/650178433.db2.gz UWSXAHGHQALBOX-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000911403199 650178823 /nfs/dbraw/zinc/17/88/23/650178823.db2.gz OGLLNGRSQWXEGH-QWHCGFSZSA-N 2 0 331.420 -0.168 20 0 EBADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCSC[C@@H]23)C1 ZINC000911421889 650182797 /nfs/dbraw/zinc/18/27/97/650182797.db2.gz XWEFKBYIAOCJKB-XQQFMLRXSA-N 2 0 326.466 -0.510 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)C[NH+](C)C ZINC000911435307 650183457 /nfs/dbraw/zinc/18/34/57/650183457.db2.gz LFENPIBKTUDEOR-HZSPNIEDSA-N 2 0 328.457 -0.345 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)C[NH+](C)C ZINC000911434966 650183567 /nfs/dbraw/zinc/18/35/67/650183567.db2.gz LASZLKPJFVUJQT-LJISPDSOSA-N 2 0 340.468 -0.345 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+])C[NH+](C)C ZINC000911435429 650183759 /nfs/dbraw/zinc/18/37/59/650183759.db2.gz MPFNMQFHXBDIOA-ZENOOKHLSA-N 2 0 326.441 -0.591 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)C[NH+](C)C ZINC000911436558 650183909 /nfs/dbraw/zinc/18/39/09/650183909.db2.gz VJASVOCZDRFULH-YOEHRIQHSA-N 2 0 340.468 -0.329 20 0 EBADRP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000911560280 650193917 /nfs/dbraw/zinc/19/39/17/650193917.db2.gz MRIXURYKPUFDOC-SHTZXODSSA-N 2 0 338.452 -0.589 20 0 EBADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911563363 650194055 /nfs/dbraw/zinc/19/40/55/650194055.db2.gz KFJHOJOWNFPDIX-IHRRRGAJSA-N 2 0 331.420 -0.028 20 0 EBADRP CC(C)[NH+]1CCN(CCCC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000913172531 650222441 /nfs/dbraw/zinc/22/24/41/650222441.db2.gz YOUYXSHGDVAZGQ-MRXNPFEDSA-N 2 0 326.485 -0.025 20 0 EBADRP CC[NH+]1CC[C@@H]1CNC(=O)CC(O)CC(=O)NC[C@H]1CC[N@H+]1CC ZINC000922159340 650329991 /nfs/dbraw/zinc/32/99/91/650329991.db2.gz PJLVOKQJQRSHOV-ZIAGYGMSSA-N 2 0 340.468 -0.452 20 0 EBADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000923398753 650338700 /nfs/dbraw/zinc/33/87/00/650338700.db2.gz LUEUCMWDVOPQBI-ZNMIVQPWSA-N 2 0 335.408 -0.499 20 0 EBADRP COC[C@H](C)OC[C@@H](O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923416268 650339513 /nfs/dbraw/zinc/33/95/13/650339513.db2.gz VACQPBAIVGZNGY-LXFSFDBISA-N 2 0 343.424 -0.734 20 0 EBADRP COC[C@@H](C)OC[C@H](O)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000923429468 650340016 /nfs/dbraw/zinc/34/00/16/650340016.db2.gz UXAOMWIHNHUCKM-SGPHBRAGSA-N 2 0 330.425 -0.389 20 0 EBADRP C[C@@H]1C[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC[C@@H]1C[NH3+] ZINC000923496152 650341846 /nfs/dbraw/zinc/34/18/46/650341846.db2.gz HGBWICUOVGMGEX-VXGBXAGGSA-N 2 0 334.424 -0.650 20 0 EBADRP [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923645485 650350607 /nfs/dbraw/zinc/35/06/07/650350607.db2.gz HFTVSQCTCJHEPI-KBPBESRZSA-N 2 0 332.470 -0.645 20 0 EBADRP [NH3+]C[C@@]1(c2ccccc2)C[C@H](NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000923738316 650354167 /nfs/dbraw/zinc/35/41/67/650354167.db2.gz ADQCECLJZRRNOP-HRCADAONSA-N 2 0 339.461 -0.047 20 0 EBADRP C[N@@H+]1CC[C@H]1CNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000924026052 650359917 /nfs/dbraw/zinc/35/99/17/650359917.db2.gz UVOPBCUVLLWGDL-CVEARBPZSA-N 2 0 339.484 -0.214 20 0 EBADRP C[NH+](C)C[C@@H]1NC(=O)N(Cc2ccc(N3CC[NH+](C)CC3)nc2)C1=O ZINC000924453812 650362796 /nfs/dbraw/zinc/36/27/96/650362796.db2.gz DMWUAJLBCRYSKP-AWEZNQCLSA-N 2 0 346.435 -0.185 20 0 EBADRP CCN1CC[NH+](CCCCN2C(=O)N[C@H](C[NH+](C)C)C2=O)CC1 ZINC000924479169 650364068 /nfs/dbraw/zinc/36/40/68/650364068.db2.gz ZEVOYPFCTQKBRO-CQSZACIVSA-N 2 0 325.457 -0.114 20 0 EBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000925168045 650373568 /nfs/dbraw/zinc/37/35/68/650373568.db2.gz GGATWFMWAHLTDZ-RDBSUJKOSA-N 2 0 328.482 -0.068 20 0 EBADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)N[C@@H]1C[NH2+]CCOC1 ZINC000925636068 650380275 /nfs/dbraw/zinc/38/02/75/650380275.db2.gz ZSVDRPMIWWPROI-SJORKVTESA-N 2 0 334.464 -0.147 20 0 EBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926341713 650387400 /nfs/dbraw/zinc/38/74/00/650387400.db2.gz HDWIRNYHHCUREO-RHSMWYFYSA-N 2 0 340.468 -0.369 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926299948 650384939 /nfs/dbraw/zinc/38/49/39/650384939.db2.gz SDRBHJNXUXYJMT-AWEZNQCLSA-N 2 0 340.468 -0.247 20 0 EBADRP O=C(C(=O)N1CCNCC[NH2+]CC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000926310349 650385508 /nfs/dbraw/zinc/38/55/08/650385508.db2.gz PFLIVUJECYOIPU-HNNXBMFYSA-N 2 0 337.468 -0.905 20 0 EBADRP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000926321225 650386081 /nfs/dbraw/zinc/38/60/81/650386081.db2.gz PWYHVYMSAVLKKR-RHSMWYFYSA-N 2 0 338.452 -0.615 20 0 EBADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926321546 650386084 /nfs/dbraw/zinc/38/60/84/650386084.db2.gz QYNYFBUFACPUEB-CQSZACIVSA-N 2 0 339.484 -0.804 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000926335307 650387082 /nfs/dbraw/zinc/38/70/82/650387082.db2.gz XLXNTMSLDNKQKG-UONOGXRCSA-N 2 0 328.457 -0.534 20 0 EBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000926353725 650388324 /nfs/dbraw/zinc/38/83/24/650388324.db2.gz LYFYVWSWGCWWCA-RHSMWYFYSA-N 2 0 340.468 -0.511 20 0 EBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@]([NH3+])(CO)C3)CC[C@@H]21 ZINC000926367295 650389372 /nfs/dbraw/zinc/38/93/72/650389372.db2.gz KQGNKPXEYQVURJ-JKIFEVAISA-N 2 0 338.452 -0.759 20 0 EBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000926388852 650390669 /nfs/dbraw/zinc/39/06/69/650390669.db2.gz AQGBOSISSUWLRK-MRXNPFEDSA-N 2 0 340.468 -0.369 20 0 EBADRP CCO[C@@H](CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)C[NH+](C)C ZINC000926852740 651497162 /nfs/dbraw/zinc/49/71/62/651497162.db2.gz ZPQWQPOVOGAHGX-KBPBESRZSA-N 2 0 343.472 -0.286 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1)C[NH+](C)C ZINC000929399888 651545866 /nfs/dbraw/zinc/54/58/66/651545866.db2.gz WURXCMOWFWLZOM-GJZGRUSLSA-N 2 0 342.484 -0.083 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)C[NH+](C)C ZINC000929399887 651545933 /nfs/dbraw/zinc/54/59/33/651545933.db2.gz WURXCMOWFWLZOM-CABCVRRESA-N 2 0 342.484 -0.083 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO)C1CC1 ZINC000929712348 651560013 /nfs/dbraw/zinc/56/00/13/651560013.db2.gz MTWPJSPABURGGH-HUUCEWRRSA-N 2 0 338.452 -0.746 20 0 EBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000929749452 651563452 /nfs/dbraw/zinc/56/34/52/651563452.db2.gz GAASFGGQIRIJSW-UKRRQHHQSA-N 2 0 340.468 -0.188 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000929893522 651570093 /nfs/dbraw/zinc/57/00/93/651570093.db2.gz WLGMDQORVFARKU-UHFFFAOYSA-N 2 0 326.441 -0.623 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C[NH+](C)C ZINC000930479707 651599240 /nfs/dbraw/zinc/59/92/40/651599240.db2.gz MVYVRERDIXXEOS-VNHYZAJKSA-N 2 0 340.468 -0.189 20 0 EBADRP C[C@@H](CNC(=O)C[N@H+](C)C[C@H]1C[C@@H](O)C1)[NH+](C)C[C@H]1C[C@@H](O)C1 ZINC000931269187 651627719 /nfs/dbraw/zinc/62/77/19/651627719.db2.gz JSXTXGDUKMDUDB-RFBLXINOSA-N 2 0 327.469 -0.104 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC000931396551 651631443 /nfs/dbraw/zinc/63/14/43/651631443.db2.gz AYSCERWBKLHUHU-UONOGXRCSA-N 2 0 338.452 -0.086 20 0 EBADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931485569 651634237 /nfs/dbraw/zinc/63/42/37/651634237.db2.gz NJHMUEACNQHQMQ-KGLIPLIRSA-N 2 0 340.468 -0.513 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H]2C(=O)NCC2(C)C)C1 ZINC000931667465 651642003 /nfs/dbraw/zinc/64/20/03/651642003.db2.gz KDTZEMICYJFHCH-DZGCQCFKSA-N 2 0 340.468 -0.426 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)C[NH+](C)C ZINC000932465267 651680845 /nfs/dbraw/zinc/68/08/45/651680845.db2.gz FCXRPOGTHMLXQI-KFWWJZLASA-N 2 0 340.468 -0.378 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1)C[NH+](C)C ZINC000932463618 651681181 /nfs/dbraw/zinc/68/11/81/651681181.db2.gz HHCHFWZSSIYMSR-CQSZACIVSA-N 2 0 342.484 -0.083 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCN(C2C[NH+](CCCO)C2)CC1 ZINC000941408619 652720524 /nfs/dbraw/zinc/72/05/24/652720524.db2.gz NGVRWZFZQZXWPT-KRWDZBQOSA-N 2 0 336.480 -0.461 20 0 EBADRP CO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000941856689 652930839 /nfs/dbraw/zinc/93/08/39/652930839.db2.gz VWTGWOUMJVHAOL-RBSFLKMASA-N 2 0 338.452 -0.624 20 0 EBADRP CC[C@@H](C(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1)[NH+](C)C ZINC000946927592 653273541 /nfs/dbraw/zinc/27/35/41/653273541.db2.gz LEURXWMPGWOSSQ-STQMWFEESA-N 2 0 326.441 -0.842 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1 ZINC000946927914 653275337 /nfs/dbraw/zinc/27/53/37/653275337.db2.gz OYKAYMXFKYSWEU-KGLIPLIRSA-N 2 0 338.452 -0.698 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCOC2(CC[NH+](CCO)CC2)C1 ZINC000949189576 653826595 /nfs/dbraw/zinc/82/65/95/653826595.db2.gz ZLBZALLUILRLIE-GJZGRUSLSA-N 2 0 325.453 -0.130 20 0 EBADRP O=C(NC[C@H]1CCN1C(=O)C12CC[NH+](CC1)C2)C12CC[NH+](CC1)C2 ZINC000951237803 654429395 /nfs/dbraw/zinc/42/93/95/654429395.db2.gz FSKMQYQZFQSGRT-CQSZACIVSA-N 2 0 332.448 -0.105 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CC3(CC(NC(=O)[C@H]4CC[N@H+](C)C4)C3)C2)nc1=O ZINC000965912630 724538851 /nfs/dbraw/zinc/53/88/51/724538851.db2.gz OSYHGLGKEWZTCC-WVAMNSNQSA-N 2 0 348.451 -0.423 20 0 EBADRP Cn1nnnc1C[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000965912229 724539145 /nfs/dbraw/zinc/53/91/45/724539145.db2.gz ISKHOJFPJWAQLF-KWDKGFIESA-N 2 0 333.440 -0.321 20 0 EBADRP C[NH+](C)CCN1C[C@H](C(=O)N(CCO)C2CC[NH+](C)CC2)CC1=O ZINC000911938374 719426270 /nfs/dbraw/zinc/42/62/70/719426270.db2.gz HDARRJVOCCLXIJ-CQSZACIVSA-N 2 0 340.468 -0.688 20 0 EBADRP C[NH+](C)CCc1ccc(C(=O)NC[C@@H]2C[N@H+](CCO)C[C@H]2O)cc1 ZINC000958400495 722360650 /nfs/dbraw/zinc/36/06/50/722360650.db2.gz VQNGXLCUTJIXQH-IAGOWNOFSA-N 2 0 335.448 -0.195 20 0 EBADRP Cc1nn(C)cc1C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958592160 722397378 /nfs/dbraw/zinc/39/73/78/722397378.db2.gz MGBNOWRUYCQPOL-HOCLYGCPSA-N 2 0 347.463 -0.267 20 0 EBADRP CC[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1)[NH+](C)C ZINC000958850334 722617766 /nfs/dbraw/zinc/61/77/66/722617766.db2.gz WNEBYZZOYQLANY-AJNGGQMLSA-N 2 0 340.468 -0.692 20 0 EBADRP CC[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1)[NH+](C)C ZINC000958851342 722619250 /nfs/dbraw/zinc/61/92/50/722619250.db2.gz NFVVHBQCTYASMF-ILXRZTDVSA-N 2 0 340.468 -0.548 20 0 EBADRP C[N@H+](CC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)C1CCC1 ZINC001018971518 728758724 /nfs/dbraw/zinc/75/87/24/728758724.db2.gz DPDHURDEELELMN-LBPRGKRZSA-N 2 0 337.424 -0.787 20 0 EBADRP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000959950259 722777287 /nfs/dbraw/zinc/77/72/87/722777287.db2.gz GURBIMWSMPRZBA-OSRDXIQISA-N 2 0 348.451 -0.631 20 0 EBADRP CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000959954084 722777478 /nfs/dbraw/zinc/77/74/78/722777478.db2.gz OQEVWNSQXBVLCO-RMRHIDDWSA-N 2 0 348.451 -0.761 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)C12CCC[NH+]1CCC2 ZINC000960767975 722862911 /nfs/dbraw/zinc/86/29/11/722862911.db2.gz GDAONUXRRLRXAX-SFDCQRBFSA-N 2 0 346.431 -0.534 20 0 EBADRP CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000961762842 723074435 /nfs/dbraw/zinc/07/44/35/723074435.db2.gz IQJJBKCEAIDRKQ-CXUUEIJPSA-N 2 0 340.443 -0.009 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCC4)C[C@H]32)C1 ZINC000961776364 723079065 /nfs/dbraw/zinc/07/90/65/723079065.db2.gz CIENNOPFKITLDR-HALDLXJZSA-N 2 0 334.464 -0.003 20 0 EBADRP CN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCC(C)(C)C2)C1=O ZINC000961793195 723084788 /nfs/dbraw/zinc/08/47/88/723084788.db2.gz ZICAVWHPCCXNLQ-KNCOVGOOSA-N 2 0 334.464 -0.005 20 0 EBADRP C[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)CC1 ZINC000963487434 723433754 /nfs/dbraw/zinc/43/37/54/723433754.db2.gz UEGJTDZUPMMTPX-CABCVRRESA-N 2 0 338.452 -0.888 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CC3(CC(NC(=O)[C@H]4CCC[N@@H+]4C)C3)C2)nc1=O ZINC000963629825 723458693 /nfs/dbraw/zinc/45/86/93/723458693.db2.gz CDVBSBVRKYHFIU-NMTWWBQDSA-N 2 0 348.451 -0.280 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001019386112 728876424 /nfs/dbraw/zinc/87/64/24/728876424.db2.gz CQZNYUMDNYSPFT-AWEZNQCLSA-N 2 0 337.468 -0.066 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC000968701939 725105468 /nfs/dbraw/zinc/10/54/68/725105468.db2.gz BAVMSOVLZLKMQA-CABCVRRESA-N 2 0 335.452 -0.456 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000969099589 725151642 /nfs/dbraw/zinc/15/16/42/725151642.db2.gz PYQCJGODEOQDSX-OLZOCXBDSA-N 2 0 337.424 -0.787 20 0 EBADRP CCN1CCO[C@H](C(=O)NC[C@@H]2CCCCCN2CC(=O)NC)C1 ZINC000969153397 725156787 /nfs/dbraw/zinc/15/67/87/725156787.db2.gz GUYUMRDEVUSAPO-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000969403717 725176794 /nfs/dbraw/zinc/17/67/94/725176794.db2.gz PIODVJUYXYOGJW-NDUQDZPOSA-N 2 0 345.447 -0.063 20 0 EBADRP CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC000969845245 725222362 /nfs/dbraw/zinc/22/23/62/725222362.db2.gz XDSQRGGIBRTAMN-TZMCWYRMSA-N 2 0 339.440 -0.685 20 0 EBADRP C[C@H](NC(=O)[C@H]1CN(C)C[C@@H](C)O1)C1C[NH+](CCn2cncn2)C1 ZINC000969945972 725230786 /nfs/dbraw/zinc/23/07/86/725230786.db2.gz ZBMPIVXQIPSVJJ-VNHYZAJKSA-N 2 0 336.440 -0.566 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)C1 ZINC000970713490 725319958 /nfs/dbraw/zinc/31/99/58/725319958.db2.gz YYNDZSXTKJPTCG-HUUCEWRRSA-N 2 0 343.493 -0.047 20 0 EBADRP Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001051653842 735295092 /nfs/dbraw/zinc/29/50/92/735295092.db2.gz AISXSBNAIQKLCF-CQSZACIVSA-N 2 0 336.440 -0.384 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000991725786 725580051 /nfs/dbraw/zinc/58/00/51/725580051.db2.gz ZZMKGXWCMSQZRY-ZDUSSCGKSA-N 2 0 348.451 -0.663 20 0 EBADRP C[N@H+]([C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1CCC(=O)NC1=O ZINC000972735552 725588266 /nfs/dbraw/zinc/58/82/66/725588266.db2.gz NSPPSVRSSFTFIC-CHWSQXEVSA-N 2 0 334.420 -0.580 20 0 EBADRP C[N@H+]([C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@H]1CCC(=O)NC1=O ZINC000972735592 725588642 /nfs/dbraw/zinc/58/86/42/725588642.db2.gz NSPPSVRSSFTFIC-STQMWFEESA-N 2 0 334.420 -0.580 20 0 EBADRP O=C(Cc1ncc[nH]1)N[C@@]12CCC[C@@H]1[N@@H+]([C@H]1CCC(=O)NC1=O)CC2 ZINC000992376629 725789475 /nfs/dbraw/zinc/78/94/75/725789475.db2.gz KKRBVNXIEGDMFP-NVGCLXPQSA-N 2 0 345.403 -0.129 20 0 EBADRP CN1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000974000664 725844840 /nfs/dbraw/zinc/84/48/40/725844840.db2.gz SUNFKICIKBQDEK-BYNSBNAKSA-N 2 0 338.452 -0.578 20 0 EBADRP O=C(Cc1ncc[nH]1)N1CC(NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000993573677 725907745 /nfs/dbraw/zinc/90/77/45/725907745.db2.gz ZXRAIDKNRGWFMC-QWHCGFSZSA-N 2 0 333.392 -0.858 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)nc1=O ZINC000995219846 726192646 /nfs/dbraw/zinc/19/26/46/726192646.db2.gz ZMAANBFEIRFPIM-CHWSQXEVSA-N 2 0 336.440 -0.421 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)nc1=O ZINC000995219853 726192692 /nfs/dbraw/zinc/19/26/92/726192692.db2.gz ZMAANBFEIRFPIM-STQMWFEESA-N 2 0 336.440 -0.421 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCN2CCNC2=O)C(C)(C)C1 ZINC000995550644 726274226 /nfs/dbraw/zinc/27/42/26/726274226.db2.gz KHSRVIFXDXFSGZ-UONOGXRCSA-N 2 0 337.468 -0.068 20 0 EBADRP CC1(C)CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CC(N)=O ZINC000996069481 726329301 /nfs/dbraw/zinc/32/93/01/726329301.db2.gz JNNDXACGCYLMJC-SBUZTJRASA-N 2 0 336.436 -0.839 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCCC[NH+]4C)C[C@H]32)C1 ZINC000976532083 726336916 /nfs/dbraw/zinc/33/69/16/726336916.db2.gz JNICSZRMLRQZFW-OWYFMNJBSA-N 2 0 334.464 -0.005 20 0 EBADRP Cc1nccn1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C[C@H]21 ZINC000976542883 726341761 /nfs/dbraw/zinc/34/17/61/726341761.db2.gz QUPAONQSQQJFMS-DHWSYENGSA-N 2 0 345.447 -0.038 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@]45CC[NH+](C4)CCC5)C[C@H]32)C1 ZINC000976542574 726341785 /nfs/dbraw/zinc/34/17/85/726341785.db2.gz XLZNPPKXBPHOKF-CLLBMXBRSA-N 2 0 346.475 -0.003 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000976550492 726345882 /nfs/dbraw/zinc/34/58/82/726345882.db2.gz YNKLKSGKHUMEOR-NPCUJANDSA-N 2 0 334.464 -0.147 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@H]32)CC[N@@H+]1C ZINC000976601904 726358690 /nfs/dbraw/zinc/35/86/90/726358690.db2.gz YOFJMFWAGGYOHV-UKRFAEJPSA-N 2 0 334.464 -0.149 20 0 EBADRP CC(C)(C(=O)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1)[NH+]1CCCC1 ZINC001051749646 735370148 /nfs/dbraw/zinc/37/01/48/735370148.db2.gz HVAPOSOENOAMEO-KBPBESRZSA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+][C@@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC000996606423 726419975 /nfs/dbraw/zinc/41/99/75/726419975.db2.gz ILSOGILHPSJTPH-MRVWCRGKSA-N 2 0 336.436 -0.288 20 0 EBADRP Cn1cc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)nn1 ZINC000996618227 726420240 /nfs/dbraw/zinc/42/02/40/726420240.db2.gz FEUNUAWMAHOMBJ-CVEARBPZSA-N 2 0 348.451 -0.241 20 0 EBADRP Cn1cc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)nn1 ZINC000996618234 726420259 /nfs/dbraw/zinc/42/02/59/726420259.db2.gz FEUNUAWMAHOMBJ-HZPDHXFCSA-N 2 0 348.451 -0.241 20 0 EBADRP Cn1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)n1 ZINC000996619792 726420358 /nfs/dbraw/zinc/42/03/58/726420358.db2.gz LAJGHZALAFKIND-CVEARBPZSA-N 2 0 348.451 -0.241 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000996622391 726420503 /nfs/dbraw/zinc/42/05/03/726420503.db2.gz MGVXKVAUPQOBDZ-QWHCGFSZSA-N 2 0 326.441 -0.733 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC000996993800 726434279 /nfs/dbraw/zinc/43/42/79/726434279.db2.gz FOQNKJBDORDDLV-LBPRGKRZSA-N 2 0 336.440 -0.327 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC000996998559 726434400 /nfs/dbraw/zinc/43/44/00/726434400.db2.gz KPBPDGGCQONTBG-TZMCWYRMSA-N 2 0 336.436 -0.144 20 0 EBADRP O=C(N1CCC([NH2+]CCN2CCNC2=O)CC1)C12CC[NH+](CC1)C2 ZINC000997190438 726440485 /nfs/dbraw/zinc/44/04/85/726440485.db2.gz YNARAKBMQMWLFZ-UHFFFAOYSA-N 2 0 335.452 -0.312 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)nc1=O ZINC000997192092 726440561 /nfs/dbraw/zinc/44/05/61/726440561.db2.gz JVZDZRSOXMDELW-UHFFFAOYSA-N 2 0 334.424 -0.715 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000998730584 726496168 /nfs/dbraw/zinc/49/61/68/726496168.db2.gz KCLGKVCWRFIQRO-QWHCGFSZSA-N 2 0 337.424 -0.787 20 0 EBADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000998779892 726497606 /nfs/dbraw/zinc/49/76/06/726497606.db2.gz ISKIGYOOOPWSPG-RUXDESIVSA-N 2 0 348.451 -0.471 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC000999176470 726509938 /nfs/dbraw/zinc/50/99/38/726509938.db2.gz WNUSQLNOTZOWND-HOTGVXAUSA-N 2 0 349.479 -0.066 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC000999189576 726510416 /nfs/dbraw/zinc/51/04/16/726510416.db2.gz LPJXSCGKLWZYEV-FRRDWIJNSA-N 2 0 336.440 -0.471 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCN2CCNC2=O)C1)C1CC1 ZINC000999363082 726516435 /nfs/dbraw/zinc/51/64/35/726516435.db2.gz BYYUPAPHPMVOCQ-LSDHHAIUSA-N 2 0 337.468 -0.068 20 0 EBADRP CN1CCO[C@H](C(=O)NCc2cn([C@H]3CCN(CCF)C3)nn2)C1 ZINC000999975227 726546232 /nfs/dbraw/zinc/54/62/32/726546232.db2.gz QFQRIOOEXHZSCK-KBPBESRZSA-N 2 0 340.403 -0.559 20 0 EBADRP C[NH+]1CCC(C(=O)NCc2cn([C@H]3CC[N@H+](CCO)C3)nn2)CC1 ZINC001000019785 726551053 /nfs/dbraw/zinc/55/10/53/726551053.db2.gz GJJFDGPIQFVGIC-HNNXBMFYSA-N 2 0 336.440 -0.525 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001000688657 726575225 /nfs/dbraw/zinc/57/52/25/726575225.db2.gz LUKQLRLUDSXJAS-GJZGRUSLSA-N 2 0 337.468 -0.066 20 0 EBADRP O=C(N1CCC[C@H]([NH2+]CCN2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001000711619 726575750 /nfs/dbraw/zinc/57/57/50/726575750.db2.gz OZNITBYPLLRFPK-AWEZNQCLSA-N 2 0 335.452 -0.312 20 0 EBADRP O=C(NCC1=CC[N@H+](CCCO)CC1)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001000972884 726585616 /nfs/dbraw/zinc/58/56/16/726585616.db2.gz GLWHZTKEFBVQPG-UPTPFMHGSA-N 2 0 335.448 -0.020 20 0 EBADRP C[C@H](O)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001000979395 726585976 /nfs/dbraw/zinc/58/59/76/726585976.db2.gz ZIADBCDYTLWTAP-VADGTKANSA-N 2 0 335.448 -0.021 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001001263271 726599716 /nfs/dbraw/zinc/59/97/16/726599716.db2.gz JCFQDXDBOPCNIG-ZIAGYGMSSA-N 2 0 336.436 -0.286 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCN2CCNC2=O)CC1 ZINC001001265492 726599850 /nfs/dbraw/zinc/59/98/50/726599850.db2.gz TZGLPVGZSZGBBC-HNNXBMFYSA-N 2 0 337.468 -0.066 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NCC2CC[NH+](CC(N)=O)CC2)cn1 ZINC001001924664 726627232 /nfs/dbraw/zinc/62/72/32/726627232.db2.gz NKVWHROWUQQEKL-UHFFFAOYSA-N 2 0 336.440 -0.628 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001002083631 726631976 /nfs/dbraw/zinc/63/19/76/726631976.db2.gz LFNGQTLRUJFRLO-MRXNPFEDSA-N 2 0 334.464 -0.001 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC2CN(C(=O)Cc3cnc[nH]3)C2)C1 ZINC001003793680 726690651 /nfs/dbraw/zinc/69/06/51/726690651.db2.gz OZVUCJBVNLHKOJ-OAHLLOKOSA-N 2 0 349.435 -0.364 20 0 EBADRP CNC(=O)CN1CCC(N(C)C(=O)[C@H]2CN(C(C)C)CCO2)CC1 ZINC001005868861 726746298 /nfs/dbraw/zinc/74/62/98/726746298.db2.gz FRHNOOZZLOWUBX-OAHLLOKOSA-N 2 0 340.468 -0.236 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001007371096 726792906 /nfs/dbraw/zinc/79/29/06/726792906.db2.gz DCVQCDAJLJFKGX-RBSFLKMASA-N 2 0 337.468 -0.068 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCO[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001051823691 735415754 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/nfs/dbraw/zinc/08/97/62/729089762.db2.gz DQPSYYKLRCSCQZ-XLWJZTARSA-N 2 0 343.493 -0.002 20 0 EBADRP Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020178652 729091875 /nfs/dbraw/zinc/09/18/75/729091875.db2.gz ANKXNJKCSYTYBO-RGCMKSIDSA-N 2 0 334.424 -0.585 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001020587775 729205166 /nfs/dbraw/zinc/20/51/66/729205166.db2.gz UGFDXWNAWZURBZ-JHJVBQTASA-N 2 0 337.424 -0.741 20 0 EBADRP O=C(C[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)N1CCOCC1 ZINC001020934331 729258169 /nfs/dbraw/zinc/25/81/69/729258169.db2.gz RHVYBDNSGTXTKR-HDJSIYSDSA-N 2 0 336.436 -0.822 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001021904725 729344971 /nfs/dbraw/zinc/34/49/71/729344971.db2.gz CCBZVQWTWJYPED-MQYQWHSLSA-N 2 0 329.466 -0.248 20 0 EBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC001022098242 729454669 /nfs/dbraw/zinc/45/46/69/729454669.db2.gz IIKATVLMQAXQID-CTASWTNQSA-N 2 0 338.452 -0.545 20 0 EBADRP Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001022119356 729457116 /nfs/dbraw/zinc/45/71/16/729457116.db2.gz FBRUKEAYNYDCOO-CRWXNKLISA-N 2 0 334.424 -0.585 20 0 EBADRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001022809775 729534869 /nfs/dbraw/zinc/53/48/69/729534869.db2.gz RFRRYGSKTVBUIO-HZSPNIEDSA-N 2 0 336.436 -0.240 20 0 EBADRP Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001022838621 729536860 /nfs/dbraw/zinc/53/68/60/729536860.db2.gz UHGUBVOWNYDNTL-OKILXGFUSA-N 2 0 346.439 -0.376 20 0 EBADRP CC1CC[NH+](CC(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)CC1 ZINC001022885911 729547673 /nfs/dbraw/zinc/54/76/73/729547673.db2.gz VVXPEBPKEJDSRJ-GASCZTMLSA-N 2 0 337.468 -0.020 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001022973756 729567157 /nfs/dbraw/zinc/56/71/57/729567157.db2.gz XCWSBFBPSQKMSB-KFWWJZLASA-N 2 0 338.452 -0.576 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001022973757 729567399 /nfs/dbraw/zinc/56/73/99/729567399.db2.gz XCWSBFBPSQKMSB-SOUVJXGZSA-N 2 0 338.452 -0.576 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001023086742 729598974 /nfs/dbraw/zinc/59/89/74/729598974.db2.gz VWDNMSPAUNILQI-XDQVBPFNSA-N 2 0 329.466 -0.390 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CCN2CCNC2=O)C1 ZINC001023274111 729654917 /nfs/dbraw/zinc/65/49/17/729654917.db2.gz SUBIRIINWVXWAM-LSDHHAIUSA-N 2 0 337.468 -0.066 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+](CCN3CCNC3=O)C2)C1 ZINC001023750252 729792616 /nfs/dbraw/zinc/79/26/16/729792616.db2.gz IZEKJLOENXHRSN-LSDHHAIUSA-N 2 0 337.468 -0.209 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001024414101 729884035 /nfs/dbraw/zinc/88/40/35/729884035.db2.gz IHCRZEXZGYGTSI-RBSFLKMASA-N 2 0 338.452 -0.890 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)C1 ZINC001025686730 730071445 /nfs/dbraw/zinc/07/14/45/730071445.db2.gz IRSZOLLMTQQDOR-RBSFLKMASA-N 2 0 338.452 -0.888 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)[C@@H]1C[NH+]2CCC1CC2 ZINC001025787209 730088182 /nfs/dbraw/zinc/08/81/82/730088182.db2.gz ADHGTRCFPYBBGN-NJURLYQPSA-N 2 0 346.431 -0.820 20 0 EBADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001025787556 730088482 /nfs/dbraw/zinc/08/84/82/730088482.db2.gz RKXMVTPARZGIQV-PJGLDBICSA-N 2 0 334.464 -0.149 20 0 EBADRP Cn1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)cn1 ZINC001025798899 730090563 /nfs/dbraw/zinc/09/05/63/730090563.db2.gz ONHYIJLYGCMZBW-NRKLIOEPSA-N 2 0 345.447 -0.170 20 0 EBADRP COC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908381 730104848 /nfs/dbraw/zinc/10/48/48/730104848.db2.gz DSPMHCLWVUFWKO-KCZDAYQYSA-N 2 0 335.448 -0.069 20 0 EBADRP CO[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908728 730105001 /nfs/dbraw/zinc/10/50/01/730105001.db2.gz WFASTDMUTWAGLB-HTRNMQKXSA-N 2 0 335.448 -0.069 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[NH+](C[C@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001026140477 730124343 /nfs/dbraw/zinc/12/43/43/730124343.db2.gz SYHSAVKFGIEYFS-OCABDXPQSA-N 2 0 347.463 -0.368 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001026145988 730125550 /nfs/dbraw/zinc/12/55/50/730125550.db2.gz DGCBJPXQSHHXMD-SUJAAXHWSA-N 2 0 333.436 -0.758 20 0 EBADRP Cn1nnnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001026419674 730144224 /nfs/dbraw/zinc/14/42/24/730144224.db2.gz BEEGHHSDHZFRGQ-MELADBBJSA-N 2 0 333.440 -0.368 20 0 EBADRP Cn1[nH]c(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]23)nc1=O ZINC001026421346 730144485 /nfs/dbraw/zinc/14/44/85/730144485.db2.gz RWRGIUUQYVOSOZ-HZSPNIEDSA-N 2 0 348.451 -0.469 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NC2CCC([NH2+]CC(N)=O)CC2)cn1 ZINC001026575465 730150986 /nfs/dbraw/zinc/15/09/86/730150986.db2.gz UAKZUXKKBXVTEX-UHFFFAOYSA-N 2 0 336.440 -0.439 20 0 EBADRP Cn1nnnc1C[NH2+]C1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001026593302 730151839 /nfs/dbraw/zinc/15/18/39/730151839.db2.gz JSRHGNZVYLUNKY-UHFFFAOYSA-N 2 0 333.440 -0.177 20 0 EBADRP C[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001027035628 730184690 /nfs/dbraw/zinc/18/46/90/730184690.db2.gz HQWVIXYSIVYNTH-TZMCWYRMSA-N 2 0 336.436 -0.429 20 0 EBADRP CCCn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001027215644 730199773 /nfs/dbraw/zinc/19/97/73/730199773.db2.gz KSIXFMZVNRHECO-KBPBESRZSA-N 2 0 335.456 -0.027 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCN2C(=O)CCC2=O)C1 ZINC001028445879 730293593 /nfs/dbraw/zinc/29/35/93/730293593.db2.gz WMKRWZUVKAQPQB-ZIAGYGMSSA-N 2 0 336.436 -0.332 20 0 EBADRP CCn1nncc1CN1CC[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001028466256 730296696 /nfs/dbraw/zinc/29/66/96/730296696.db2.gz PCJOEAKLBJBLCQ-UKRRQHHQSA-N 2 0 336.440 -0.433 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028757172 730352044 /nfs/dbraw/zinc/35/20/44/730352044.db2.gz AVTFKUHTJPGOPC-KBPBESRZSA-N 2 0 326.441 -0.720 20 0 EBADRP C[N@H+](C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)[C@@H]1CCC(=O)NC1=O ZINC001029905944 730523466 /nfs/dbraw/zinc/52/34/66/730523466.db2.gz XZEWANYYEVPWOI-UONOGXRCSA-N 2 0 336.436 -0.332 20 0 EBADRP O=C(NCC1C[NH+](CCN2CCNC2=O)C1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001031668952 730748176 /nfs/dbraw/zinc/74/81/76/730748176.db2.gz UCIWXUKYRMNDOX-CVEARBPZSA-N 2 0 349.479 -0.066 20 0 EBADRP O=C(NCC1C[NH+](CCN2CCCC2=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001031673189 730748990 /nfs/dbraw/zinc/74/89/90/730748990.db2.gz ZQCRUVQQPRGQTB-INIZCTEOSA-N 2 0 334.464 -0.001 20 0 EBADRP O=C(NCC1C[NH+](CCn2cccn2)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001031688517 730750470 /nfs/dbraw/zinc/75/04/70/730750470.db2.gz HCRYZVZUNYNRPD-HOTGVXAUSA-N 2 0 333.436 -0.206 20 0 EBADRP O=C(NCC1C[NH+](C[C@@H]2CCOC2)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001031857454 730781386 /nfs/dbraw/zinc/78/13/86/730781386.db2.gz VNIDIBVLPRIILX-QBPRILJRSA-N 2 0 335.448 -0.066 20 0 EBADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001032960287 730952081 /nfs/dbraw/zinc/95/20/81/730952081.db2.gz QORBFEZNZSIOAR-KBPBESRZSA-N 2 0 336.436 -0.238 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](CCN3CCNC3=O)C2)C1 ZINC001033420095 731020881 /nfs/dbraw/zinc/02/08/81/731020881.db2.gz LXLJRKWUAXMLEI-HUUCEWRRSA-N 2 0 337.468 -0.114 20 0 EBADRP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001033665077 731058601 /nfs/dbraw/zinc/05/86/01/731058601.db2.gz LEZPCSAHFRUSHG-JKSUJKDBSA-N 2 0 335.452 -0.128 20 0 EBADRP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001033664309 731058734 /nfs/dbraw/zinc/05/87/34/731058734.db2.gz FQZWOOSQAGIOCG-AWEZNQCLSA-N 2 0 336.436 -0.236 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[NH+](CCN3CCNC3=O)C2)C1 ZINC001034526094 731138138 /nfs/dbraw/zinc/13/81/38/731138138.db2.gz UEAYHIWYBVYACT-LSDHHAIUSA-N 2 0 337.468 -0.066 20 0 EBADRP O=C(N[C@@H]1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)CC1)C12CC[NH+](CC1)C2 ZINC001034777798 731156304 /nfs/dbraw/zinc/15/63/04/731156304.db2.gz KSBLJWKWJQFOEB-IHRRRGAJSA-N 2 0 348.447 -0.096 20 0 EBADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]2C[NH2+][C@H]2CCC(=O)NC2=O)CCC1 ZINC001034957104 731168180 /nfs/dbraw/zinc/16/81/80/731168180.db2.gz JXZJUFKSBDJYGG-OLZOCXBDSA-N 2 0 336.436 -0.144 20 0 EBADRP CC[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001037969278 731275578 /nfs/dbraw/zinc/27/55/78/731275578.db2.gz JUMRZODPEYGEPG-ZFWWWQNUSA-N 2 0 340.468 -0.201 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001040098757 731596858 /nfs/dbraw/zinc/59/68/58/731596858.db2.gz FCERUVFPUWOXKE-RHSMWYFYSA-N 2 0 340.468 -0.500 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@](O)(CNC(=O)C[N@H+](C)C(C)C)C1)[NH+](C)C ZINC001040100028 731598292 /nfs/dbraw/zinc/59/82/92/731598292.db2.gz MJQQHPQJSGDKQU-YOEHRIQHSA-N 2 0 342.484 -0.254 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001040198049 731639781 /nfs/dbraw/zinc/63/97/81/731639781.db2.gz IADFEWBIAGBYEA-RHSMWYFYSA-N 2 0 342.484 -0.252 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001040349964 731706019 /nfs/dbraw/zinc/70/60/19/731706019.db2.gz AHGCOEQRDMKFQI-PBHICJAKSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001040358263 731711735 /nfs/dbraw/zinc/71/17/35/731711735.db2.gz DYHWFKJVNCHNFN-XJKSGUPXSA-N 2 0 328.457 -0.642 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001040449984 731738725 /nfs/dbraw/zinc/73/87/25/731738725.db2.gz NKFPJNOTQCBBJV-RHSMWYFYSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC001040935701 731930071 /nfs/dbraw/zinc/93/00/71/731930071.db2.gz ISNRJVZXZOBEAA-VBQJREDUSA-N 2 0 340.468 -0.500 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@@]2(CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001041830460 732235030 /nfs/dbraw/zinc/23/50/30/732235030.db2.gz IGKUXENTOYIKTL-KBXCAEBGSA-N 2 0 348.447 -0.188 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042098112 732308718 /nfs/dbraw/zinc/30/87/18/732308718.db2.gz NIJBGIKXAJJWQT-CYBMUJFWSA-N 2 0 326.441 -0.888 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)CCc2ncc[nH]2)C1 ZINC001042827224 732610905 /nfs/dbraw/zinc/61/09/05/732610905.db2.gz QIOIVQMSHJJCCX-CYBMUJFWSA-N 2 0 349.435 -0.484 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCOC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061599382 738639860 /nfs/dbraw/zinc/63/98/60/738639860.db2.gz QRVUILVCUDOZKD-GJZGRUSLSA-N 2 0 338.452 -0.480 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001061595967 738635550 /nfs/dbraw/zinc/63/55/50/738635550.db2.gz RUUAQHCMDNGUJS-HUUCEWRRSA-N 2 0 340.468 -0.378 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCOC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061600739 738642302 /nfs/dbraw/zinc/64/23/02/738642302.db2.gz UDXCGDMHUWBXEO-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043124651 732773035 /nfs/dbraw/zinc/77/30/35/732773035.db2.gz SUWASLFOOGYCJD-UHFFFAOYSA-N 2 0 340.468 -0.496 20 0 EBADRP C[NH+](C)C1(C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CCC1 ZINC001043448334 732946162 /nfs/dbraw/zinc/94/61/62/732946162.db2.gz DZQDLXRBNUDBGD-CYBMUJFWSA-N 2 0 338.452 -0.746 20 0 EBADRP CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1)[NH+](C)C ZINC001043463189 732955498 /nfs/dbraw/zinc/95/54/98/732955498.db2.gz LTWZKNPEPYDFLD-KBPBESRZSA-N 2 0 340.468 -0.644 20 0 EBADRP C[N@H+](CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[NH+](C)C2)C1)C1CCC1 ZINC001043529916 732994125 /nfs/dbraw/zinc/99/41/25/732994125.db2.gz BWNFYFIJPNCLMR-ZDUSSCGKSA-N 2 0 338.452 -0.888 20 0 EBADRP CC[C@H](C(=O)NCC1(O)CN(C(=O)C2([NH+](C)C)CCC2)C1)[NH+](C)C ZINC001043678977 733056386 /nfs/dbraw/zinc/05/63/86/733056386.db2.gz VTUKRQZCPUULIQ-CYBMUJFWSA-N 2 0 340.468 -0.500 20 0 EBADRP CC[C@H](C(=O)N1CC(O)(CNC(=O)C2CC[NH+](C)CC2)C1)[NH+](C)C ZINC001043709381 733070580 /nfs/dbraw/zinc/07/05/80/733070580.db2.gz WJTSIVQQDICUHX-CQSZACIVSA-N 2 0 340.468 -0.642 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)Cn2ccnc2)C1 ZINC001043712731 733072927 /nfs/dbraw/zinc/07/29/27/733072927.db2.gz BIJPKNIHTREZBJ-AWEZNQCLSA-N 2 0 349.435 -0.553 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)Cn2cncc2C)C1 ZINC001043910156 733193325 /nfs/dbraw/zinc/19/33/25/733193325.db2.gz PXXRHQVYQUMNMV-UHFFFAOYSA-N 2 0 337.424 -0.777 20 0 EBADRP CC[C@H](C(=O)NC[C@H]1COCCN1C(=O)C[NH+]1CCCC1)[NH+](C)C ZINC001061680225 738691071 /nfs/dbraw/zinc/69/10/71/738691071.db2.gz CJNORNZPYKBFNM-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001044000243 733238618 /nfs/dbraw/zinc/23/86/18/733238618.db2.gz CYRCTNVQNQLIFH-ZIAGYGMSSA-N 2 0 338.452 -0.888 20 0 EBADRP CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1)[NH+](C)C ZINC001044042228 733259304 /nfs/dbraw/zinc/25/93/04/733259304.db2.gz YIJLQVNXNQVQEP-UONOGXRCSA-N 2 0 342.484 -0.398 20 0 EBADRP CC[C@@H](C(=O)N1CC(O)(CNC(=O)CCCC[NH+](C)C)C1)[NH+](C)C ZINC001044246543 733338559 /nfs/dbraw/zinc/33/85/59/733338559.db2.gz NNKZZCVYYGFNNO-AWEZNQCLSA-N 2 0 342.484 -0.252 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001044298381 733365065 /nfs/dbraw/zinc/36/50/65/733365065.db2.gz KWWDEHYSOUHIPM-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001044298937 733366871 /nfs/dbraw/zinc/36/68/71/733366871.db2.gz SLZMOUKVCCIUPP-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001044772591 733502373 /nfs/dbraw/zinc/50/23/73/733502373.db2.gz WQQGCKSOCWGXEA-GXTWGEPZSA-N 2 0 336.440 -0.487 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2C[NH+]3CCC2CC3)nc1=O ZINC001045039615 733563367 /nfs/dbraw/zinc/56/33/67/733563367.db2.gz LVENDWBHXCJWSE-KBPBESRZSA-N 2 0 348.451 -0.469 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001045392005 733684670 /nfs/dbraw/zinc/68/46/70/733684670.db2.gz NAWYNIMQCXEEAG-UHFFFAOYSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045412552 733689566 /nfs/dbraw/zinc/68/95/66/733689566.db2.gz DJTTYWJJRQAITH-UHFFFAOYSA-N 2 0 328.457 -0.641 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC2(CO1)CC[NH+](CC(N)=O)CC2 ZINC001045662803 733749093 /nfs/dbraw/zinc/74/90/93/733749093.db2.gz FWNRGURZEPRUCE-KGLIPLIRSA-N 2 0 338.452 -0.447 20 0 EBADRP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001045716558 733758555 /nfs/dbraw/zinc/75/85/55/733758555.db2.gz KCUARPBDRNWZIV-UHFFFAOYSA-N 2 0 326.441 -0.888 20 0 EBADRP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001045720784 733760014 /nfs/dbraw/zinc/76/00/14/733760014.db2.gz XGRUAXAGAKECLW-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045720477 733760052 /nfs/dbraw/zinc/76/00/52/733760052.db2.gz RVCRXMKYGNRPCX-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001046672085 733995816 /nfs/dbraw/zinc/99/58/16/733995816.db2.gz PNYRBUJCNYQFQA-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001061829512 738773788 /nfs/dbraw/zinc/77/37/88/738773788.db2.gz SHQJVOTYNUTPBB-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@]1(C[NH2+][C@@H]2CCC(=O)NC2=O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001046906766 734058987 /nfs/dbraw/zinc/05/89/87/734058987.db2.gz QBUSZLRCFPQCCQ-CXAGYDPISA-N 2 0 336.436 -0.284 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](CCn3cccn3)C[C@@H]2O)CC[N@@H+]1C ZINC001047384923 734167765 /nfs/dbraw/zinc/16/77/65/734167765.db2.gz NVCLOJNGGMZRBX-WCVJEAGWSA-N 2 0 335.452 -0.273 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001061858939 738789020 /nfs/dbraw/zinc/78/90/20/738789020.db2.gz ASWCDTMPJVYPJA-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001061862668 738791480 /nfs/dbraw/zinc/79/14/80/738791480.db2.gz WTDUPOSJSABMPX-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O ZINC001047511662 734233141 /nfs/dbraw/zinc/23/31/41/734233141.db2.gz NBJACIYUGXEIDM-IRXDYDNUSA-N 2 0 349.479 -0.192 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001061898496 738802968 /nfs/dbraw/zinc/80/29/68/738802968.db2.gz JMRHOPIIPJGQLS-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001048037558 734337118 /nfs/dbraw/zinc/33/71/18/734337118.db2.gz IOWGEWVQLYNAKI-CHWSQXEVSA-N 2 0 348.451 -0.469 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061907153 738809904 /nfs/dbraw/zinc/80/99/04/738809904.db2.gz BHQUXWHUVOMNMC-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2C[C@@H]3C[N@@H+](CCCO)C[C@@H]3C2)n1 ZINC001048825360 734527387 /nfs/dbraw/zinc/52/73/87/734527387.db2.gz RQMFVSDZGDKBNV-GASCZTMLSA-N 2 0 335.452 -0.169 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001048873878 734549971 /nfs/dbraw/zinc/54/99/71/734549971.db2.gz NYXPDDNKYOUDRK-KKUMJFAQSA-N 2 0 340.468 -0.690 20 0 EBADRP C[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944223 734579560 /nfs/dbraw/zinc/57/95/60/734579560.db2.gz RTJDCLHNBQFBMZ-GVBXBTQWSA-N 2 0 335.448 -0.379 20 0 EBADRP C[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCC4)C[C@@H]3C2)CC1 ZINC001049024814 734618866 /nfs/dbraw/zinc/61/88/66/734618866.db2.gz DAAPOGJZTSAWSM-IYBDPMFKSA-N 2 0 334.464 -0.049 20 0 EBADRP CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1O)[NH+](C)C ZINC001049027040 734619470 /nfs/dbraw/zinc/61/94/70/734619470.db2.gz BWHPFNBUEJJHOL-KBXIAJHMSA-N 2 0 340.468 -0.549 20 0 EBADRP CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O)[NH+](C)C ZINC001049027584 734619997 /nfs/dbraw/zinc/61/99/97/734619997.db2.gz PVZVDQIOHKGSNL-ILXRZTDVSA-N 2 0 342.484 -0.302 20 0 EBADRP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001049031284 734621408 /nfs/dbraw/zinc/62/14/08/734621408.db2.gz UPJCVZGPKAVXMN-GJZGRUSLSA-N 2 0 340.468 -0.690 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+]([C@H]4CCC(=O)NC4=O)C[C@@H]3C2)C1 ZINC001049058809 734630215 /nfs/dbraw/zinc/63/02/15/734630215.db2.gz IMMYIQIOGICOQR-KBXIAJHMSA-N 2 0 348.447 -0.476 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2C1 ZINC001049059783 734630810 /nfs/dbraw/zinc/63/08/10/734630810.db2.gz GVNISCFVHAJVDX-LVQVYYBASA-N 2 0 349.479 -0.401 20 0 EBADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001049111033 734647698 /nfs/dbraw/zinc/64/76/98/734647698.db2.gz CSCGNKLHGHFOCH-KKUMJFAQSA-N 2 0 340.468 -0.690 20 0 EBADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001049111031 734647798 /nfs/dbraw/zinc/64/77/98/734647798.db2.gz CSCGNKLHGHFOCH-ILXRZTDVSA-N 2 0 340.468 -0.690 20 0 EBADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@@H]2C1 ZINC001049215014 734687547 /nfs/dbraw/zinc/68/75/47/734687547.db2.gz GBSJBQPGDDVFOB-IXDOHACOSA-N 2 0 347.463 -0.270 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](C[C@@H](O)Cn4cccn4)C[C@@H]3C2)C1 ZINC001049215117 734687599 /nfs/dbraw/zinc/68/75/99/734687599.db2.gz JTEXFSVUNZFFBU-WCXIOVBPSA-N 2 0 347.463 -0.414 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001049215899 734688141 /nfs/dbraw/zinc/68/81/41/734688141.db2.gz OYYAOSYIYQNXQD-OAGGEKHMSA-N 2 0 325.453 -0.273 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@@H]2C1 ZINC001049216083 734688184 /nfs/dbraw/zinc/68/81/84/734688184.db2.gz SHSPMYRPWTXHSN-BARDWOONSA-N 2 0 338.452 -0.781 20 0 EBADRP CN(C(=O)C1(C[NH+](C)C)CC1)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001049344847 734712401 /nfs/dbraw/zinc/71/24/01/734712401.db2.gz NNPHZIGXYSXMFP-KBPBESRZSA-N 2 0 340.468 -0.690 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001050109814 734843690 /nfs/dbraw/zinc/84/36/90/734843690.db2.gz BEMMWNFOKBTTLN-GBJTYRQASA-N 2 0 348.447 -0.191 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(N)=O)CC3)C1 ZINC001050634233 734938725 /nfs/dbraw/zinc/93/87/25/734938725.db2.gz WEFJBNIJQFLIOC-CQSZACIVSA-N 2 0 338.452 -0.495 20 0 EBADRP O=C(N[C@@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1)C12CC[NH+](CC1)C2 ZINC001052871233 735708520 /nfs/dbraw/zinc/70/85/20/735708520.db2.gz FGOIKPCFXCJMMH-ZIAGYGMSSA-N 2 0 348.447 -0.142 20 0 EBADRP Cn1nccc1CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)CO2 ZINC001054008564 736147919 /nfs/dbraw/zinc/14/79/19/736147919.db2.gz YYECJTDUBINMMF-CABCVRRESA-N 2 0 347.463 -0.126 20 0 EBADRP CCC[N@H+](C)CC(=O)NC1CC[NH+](CCNC(=O)COC)CC1 ZINC001055495550 736357850 /nfs/dbraw/zinc/35/78/50/736357850.db2.gz YVIZGLXDFDZIHW-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP COCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001055496099 736358101 /nfs/dbraw/zinc/35/81/01/736358101.db2.gz CDYRVTFDOQTCCI-DZGCQCFKSA-N 2 0 340.468 -0.473 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCC(NC(=O)c3nnc[nH]3)CC2)C1 ZINC001055577875 736391227 /nfs/dbraw/zinc/39/12/27/736391227.db2.gz DEPGIUJGKPZXJG-LBPRGKRZSA-N 2 0 349.439 -0.933 20 0 EBADRP CC(=O)NC1CC[NH+](CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001055578418 736391582 /nfs/dbraw/zinc/39/15/82/736391582.db2.gz MZRLEKPQGMJNMF-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP CCOCC(=O)NC1CC[NH+](CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001055577873 736391694 /nfs/dbraw/zinc/39/16/94/736391694.db2.gz DEEIKDNGDBXLGR-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP COCC(=O)NC1CC[NH+](CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001055601947 736402038 /nfs/dbraw/zinc/40/20/38/736402038.db2.gz ISJGYKZXAPTWSM-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)c2ncc[nH]2)CC1 ZINC001055633288 736417454 /nfs/dbraw/zinc/41/74/54/736417454.db2.gz IWHKEEJSLQUADA-UHFFFAOYSA-N 2 0 336.440 -0.328 20 0 EBADRP C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001057212734 737085912 /nfs/dbraw/zinc/08/59/12/737085912.db2.gz UTARZWFKGUOZEL-AWEZNQCLSA-N 2 0 328.457 -0.641 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCCN(CCO)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001057213033 737087463 /nfs/dbraw/zinc/08/74/63/737087463.db2.gz CLKHBDBTCVXQKV-LSDHHAIUSA-N 2 0 340.468 -0.641 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001057635685 737375051 /nfs/dbraw/zinc/37/50/51/737375051.db2.gz HBUQLUCWKFLFIT-HNNXBMFYSA-N 2 0 340.468 -0.783 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001057636084 737375803 /nfs/dbraw/zinc/37/58/03/737375803.db2.gz MPJPUPWCNPPNRK-HUUCEWRRSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCN(CCO)C(=O)[C@H]1CC[NH+](C)C1 ZINC001057636709 737377180 /nfs/dbraw/zinc/37/71/80/737377180.db2.gz XIUYLPQHSITRCA-GJZGRUSLSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057641927 737382921 /nfs/dbraw/zinc/38/29/21/737382921.db2.gz DMRTYTRZADSMMH-GJZGRUSLSA-N 2 0 340.468 -0.783 20 0 EBADRP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001057658938 737395963 /nfs/dbraw/zinc/39/59/63/737395963.db2.gz HQSUKJJXKKVKCM-HUUCEWRRSA-N 2 0 342.484 -0.537 20 0 EBADRP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001057659250 737396324 /nfs/dbraw/zinc/39/63/24/737396324.db2.gz NELSRVPJDWJQRH-INIZCTEOSA-N 2 0 342.484 -0.395 20 0 EBADRP C[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001057676828 737407706 /nfs/dbraw/zinc/40/77/06/737407706.db2.gz RCECVJLJUUYOKW-OAHLLOKOSA-N 2 0 340.468 -0.783 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(CCO)CCNC(=O)CCC[NH+](C)C ZINC001057863292 737484315 /nfs/dbraw/zinc/48/43/15/737484315.db2.gz MHEAJPJLZXJDLI-UHFFFAOYSA-N 2 0 330.473 -0.395 20 0 EBADRP C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001057876355 737495766 /nfs/dbraw/zinc/49/57/66/737495766.db2.gz HUDZCXXVZFTQCP-INIZCTEOSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001057882645 737503081 /nfs/dbraw/zinc/50/30/81/737503081.db2.gz WWHQQVARHBXINR-INIZCTEOSA-N 2 0 344.500 -0.149 20 0 EBADRP CC[NH+](C)C(C)(C)C(=O)N(CCO)CCNC(=O)CC[N@@H+](C)CC ZINC001057942524 737546331 /nfs/dbraw/zinc/54/63/31/737546331.db2.gz JSFMPRFICZOAMJ-UHFFFAOYSA-N 2 0 344.500 -0.004 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCN(CCO)C(=O)C2CC[NH+](C)CC2)C1 ZINC001057993897 737581537 /nfs/dbraw/zinc/58/15/37/737581537.db2.gz AYPUMVYKHOBKFS-HNNXBMFYSA-N 2 0 340.468 -0.783 20 0 EBADRP C[NH+](C)CCC(=O)NCCN(CCO)C(=O)c1ccc2c[nH+]cn2c1 ZINC001058092566 737643832 /nfs/dbraw/zinc/64/38/32/737643832.db2.gz RTOSVHDPFLXCAZ-UHFFFAOYSA-N 2 0 347.419 -0.163 20 0 EBADRP CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC001058168446 737690093 /nfs/dbraw/zinc/69/00/93/737690093.db2.gz FJDCLZKRHOAHEE-UONOGXRCSA-N 2 0 328.457 -0.642 20 0 EBADRP C[NH+](C)CCCCC(=O)N(CCO)CCNC(=O)CCC[NH+](C)C ZINC001058236850 737727137 /nfs/dbraw/zinc/72/71/37/737727137.db2.gz HVGYTJDQJKLEHA-UHFFFAOYSA-N 2 0 344.500 -0.003 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001058253922 737736212 /nfs/dbraw/zinc/73/62/12/737736212.db2.gz NNSHRZXHUFTWGB-MRXNPFEDSA-N 2 0 344.500 -0.149 20 0 EBADRP C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001058610168 737920839 /nfs/dbraw/zinc/92/08/39/737920839.db2.gz BZUZVIZFKTWQIW-HNNXBMFYSA-N 2 0 342.484 -0.393 20 0 EBADRP C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001058610561 737921397 /nfs/dbraw/zinc/92/13/97/737921397.db2.gz LRVTZUOWRNUVFY-HNNXBMFYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001058709296 737960559 /nfs/dbraw/zinc/96/05/59/737960559.db2.gz POULLUNDZWNASG-AWEZNQCLSA-N 2 0 328.457 -0.641 20 0 EBADRP CC[C@H](C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)[NH+](CC)CC ZINC001058712233 737962819 /nfs/dbraw/zinc/96/28/19/737962819.db2.gz PXRHKQIOIJKIRT-OAHLLOKOSA-N 2 0 344.500 -0.004 20 0 EBADRP CC[C@@H](C(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)C ZINC001058845167 738024619 /nfs/dbraw/zinc/02/46/19/738024619.db2.gz GVAVTNBDGPVIKY-CABCVRRESA-N 2 0 342.484 -0.395 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)CCO1 ZINC001065169317 739573599 /nfs/dbraw/zinc/57/35/99/739573599.db2.gz KHHWLKWSLXLPBO-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)CCO1 ZINC001065169554 739574366 /nfs/dbraw/zinc/57/43/66/739574366.db2.gz NQXMZMZUVWPYHP-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)CCO1 ZINC001065169557 739574677 /nfs/dbraw/zinc/57/46/77/739574677.db2.gz NQXMZMZUVWPYHP-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001065570056 739767656 /nfs/dbraw/zinc/76/76/56/739767656.db2.gz HKMHPNZMOWLWRO-KGLIPLIRSA-N 2 0 326.441 -0.624 20 0 EBADRP C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001065571730 739768046 /nfs/dbraw/zinc/76/80/46/739768046.db2.gz ARYPIDHWHZRXMN-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1)[NH+](C)C ZINC001065572750 739768966 /nfs/dbraw/zinc/76/89/66/739768966.db2.gz WQNPQYCGTHPXRV-HOCLYGCPSA-N 2 0 342.484 -0.132 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CN(C(=O)CC[NH+](C)C)CCO2)CC[N@@H+]1C ZINC001065574495 739771161 /nfs/dbraw/zinc/77/11/61/739771161.db2.gz IMJCDSNLEZQROV-RBSFLKMASA-N 2 0 340.468 -0.378 20 0 EBADRP C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001065576987 739772612 /nfs/dbraw/zinc/77/26/12/739772612.db2.gz ZEENJIUDFINSIE-GDBMZVCRSA-N 2 0 340.468 -0.378 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@H](CNC(=O)CC[NH+](C)C)C2)C1 ZINC001065622985 739810863 /nfs/dbraw/zinc/81/08/63/739810863.db2.gz YHWGLXPMIOJXSU-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)C[NH+]1CCCC1)CO2 ZINC001068873999 740477329 /nfs/dbraw/zinc/47/73/29/740477329.db2.gz JHLAQMSHEDTASZ-AWEZNQCLSA-N 2 0 338.452 -0.480 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068878135 740479312 /nfs/dbraw/zinc/47/93/12/740479312.db2.gz CBURZCZPATVYNC-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[C@@H](C(=O)N[C@@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1)[NH+](C)C ZINC001068935598 740500101 /nfs/dbraw/zinc/50/01/01/740500101.db2.gz SIBBMNHRVSQEBR-KBPBESRZSA-N 2 0 340.468 -0.236 20 0 EBADRP CC[C@H](C(=O)N1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)CO2)[NH+](C)C ZINC001069012508 740522759 /nfs/dbraw/zinc/52/27/59/740522759.db2.gz FRBJLRVPOXWHED-ZIAGYGMSSA-N 2 0 340.468 -0.236 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001069009785 740522780 /nfs/dbraw/zinc/52/27/80/740522780.db2.gz YZLDOVWRWBTAJV-ZIAGYGMSSA-N 2 0 338.452 -0.482 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)C1 ZINC001070275574 740776169 /nfs/dbraw/zinc/77/61/69/740776169.db2.gz STPSCHNZFHTRGS-KGLIPLIRSA-N 2 0 336.440 -0.656 20 0 EBADRP O=C(NCc1c[nH]nc1[C@H]1CC[N@@H+](CCO)C1)C12CC[NH+](CC1)C2 ZINC001070432493 740823346 /nfs/dbraw/zinc/82/33/46/740823346.db2.gz HIZUVGOQXXJYQO-ZDUSSCGKSA-N 2 0 333.436 -0.097 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001070650256 740909062 /nfs/dbraw/zinc/90/90/62/740909062.db2.gz QOPSNSNORWCZJL-AAVRWANBSA-N 2 0 348.451 -0.870 20 0 EBADRP Cn1cncc1[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CCO ZINC001070655662 740911052 /nfs/dbraw/zinc/91/10/52/740911052.db2.gz XFWJVDIVBWZFPR-IIAWOOMASA-N 2 0 335.452 -0.363 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001070689922 740921074 /nfs/dbraw/zinc/92/10/74/740921074.db2.gz XEZSQGOJTBHATD-BFHYXJOUSA-N 2 0 348.451 -0.869 20 0 EBADRP Cn1cncc1[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(N)=O ZINC001070710575 740924313 /nfs/dbraw/zinc/92/43/13/740924313.db2.gz HTKNASRVDPCNKM-MGPQQGTHSA-N 2 0 348.451 -0.869 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001070756485 740938536 /nfs/dbraw/zinc/93/85/36/740938536.db2.gz PUGAUAQGQYIGMM-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1C ZINC001072431840 741397450 /nfs/dbraw/zinc/39/74/50/741397450.db2.gz BDQFZQPYMGHYCT-GJZGRUSLSA-N 2 0 342.484 -0.131 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001072477872 741411040 /nfs/dbraw/zinc/41/10/40/741411040.db2.gz CKCWCHSAPSSCKW-LSDHHAIUSA-N 2 0 342.484 -0.131 20 0 EBADRP C[NH+](C)C1(C(=O)N2CC3(C2)CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C3)CCC1 ZINC001072812162 741492144 /nfs/dbraw/zinc/49/21/44/741492144.db2.gz USBZLWOFVKMLFE-CYBMUJFWSA-N 2 0 348.447 -0.190 20 0 EBADRP CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+]([C@@H]1CCC(=O)NC1=O)C2)[NH+](C)C ZINC001072991134 741536736 /nfs/dbraw/zinc/53/67/36/741536736.db2.gz OBVQHTSCKCMMQE-QWHCGFSZSA-N 2 0 336.436 -0.334 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC2(C1)CC[N@@H+](C[C@H](C)O)C2 ZINC001073433532 741612898 /nfs/dbraw/zinc/61/28/98/741612898.db2.gz BEIPRLYPXSFFJD-CABCVRRESA-N 2 0 325.453 -0.130 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCn2cncn2)CCCO1 ZINC001073555280 741650792 /nfs/dbraw/zinc/65/07/92/741650792.db2.gz ZEXZPDKRESATIR-GJZGRUSLSA-N 2 0 336.440 -0.421 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2C[N@H+](CCO)CCCO2)n1 ZINC001073603823 741681771 /nfs/dbraw/zinc/68/17/71/741681771.db2.gz PPJVKPSTXDDOEZ-AWEZNQCLSA-N 2 0 339.440 -0.742 20 0 EBADRP C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001074654757 742048180 /nfs/dbraw/zinc/04/81/80/742048180.db2.gz BIZXZDCIHABUQT-YUTCNCBUSA-N 2 0 348.451 -0.471 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001075619560 742262549 /nfs/dbraw/zinc/26/25/49/742262549.db2.gz HXLHCNFSHLHKCZ-SOUVJXGZSA-N 2 0 335.452 -0.362 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CCN4CCNC4=O)C[C@H]32)CC[N@@H+]1C ZINC001075808869 742304030 /nfs/dbraw/zinc/30/40/30/742304030.db2.gz GTJOQFLWHLSYAM-QKPAOTATSA-N 2 0 349.479 -0.116 20 0 EBADRP CNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070463 742371587 /nfs/dbraw/zinc/37/15/87/742371587.db2.gz KNHIAPPXQVTCFQ-YUGHPYOKSA-N 2 0 348.447 -0.872 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001076575022 742501003 /nfs/dbraw/zinc/50/10/03/742501003.db2.gz WMOWQYJYBRCJID-BFHYXJOUSA-N 2 0 334.420 -0.580 20 0 EBADRP O=C(N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)[C@H]1C[NH+]2CCC1CC2 ZINC001077002641 742689970 /nfs/dbraw/zinc/68/99/70/742689970.db2.gz AJFFYOMJPZUWES-GVDBMIGSSA-N 2 0 337.464 -0.084 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](CCCF)C[C@H]2O)n1 ZINC001077014214 742695529 /nfs/dbraw/zinc/69/55/29/742695529.db2.gz JKQOOBNJDRLJRK-ZIAGYGMSSA-N 2 0 327.404 -0.421 20 0 EBADRP C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001077494105 743016786 /nfs/dbraw/zinc/01/67/86/743016786.db2.gz AJEDESPSEIEINY-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)COCC[NH+](C)C ZINC001077494410 743017116 /nfs/dbraw/zinc/01/71/16/743017116.db2.gz MMFXLWFKRAWAMQ-AWEZNQCLSA-N 2 0 346.472 -0.846 20 0 EBADRP C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001077495901 743020361 /nfs/dbraw/zinc/02/03/61/743020361.db2.gz VWNLPSULINQAOT-XJKSGUPXSA-N 2 0 342.484 -0.084 20 0 EBADRP C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001077495907 743020704 /nfs/dbraw/zinc/02/07/04/743020704.db2.gz VYKHBRYXHMAQHT-GJZGRUSLSA-N 2 0 342.484 -0.083 20 0 EBADRP Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001078005378 743408879 /nfs/dbraw/zinc/40/88/79/743408879.db2.gz BPCLQKUTXBTEJQ-NUEKZKHPSA-N 2 0 335.452 -0.534 20 0 EBADRP Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001078005548 743409375 /nfs/dbraw/zinc/40/93/75/743409375.db2.gz DTENDUCADAGTSL-FVQBIDKESA-N 2 0 335.452 -0.534 20 0 EBADRP Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001078356300 743602082 /nfs/dbraw/zinc/60/20/82/743602082.db2.gz HLLIPLSOFVPQCK-CABCVRRESA-N 2 0 336.440 -0.384 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001078460215 743660949 /nfs/dbraw/zinc/66/09/49/743660949.db2.gz NTVZAQSPMUTCQA-GJZGRUSLSA-N 2 0 338.452 -0.576 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000982783274 806701522 /nfs/dbraw/zinc/70/15/22/806701522.db2.gz ROGUXVCGQMBBCU-LSDHHAIUSA-N 2 0 334.464 -0.001 20 0 EBADRP O=C1N[C@@H](CO)C(=O)N1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000349376716 803770096 /nfs/dbraw/zinc/77/00/96/803770096.db2.gz ZAMDKDSLYHVEQE-AWEZNQCLSA-N 2 0 333.392 -0.494 20 0 EBADRP [NH3+]CCS(=O)(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000722251174 803785146 /nfs/dbraw/zinc/78/51/46/803785146.db2.gz GTHYVSZOEQIBIJ-UHFFFAOYSA-N 2 0 327.450 -0.108 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000976868950 803921320 /nfs/dbraw/zinc/92/13/20/803921320.db2.gz KLCZXGQMMMUPAL-RFBLXINOSA-N 2 0 346.475 -0.147 20 0 EBADRP CN(C)C(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000978151540 804695933 /nfs/dbraw/zinc/69/59/33/804695933.db2.gz XZARRRMQUOGSRB-FPCVCCKLSA-N 2 0 334.464 -0.290 20 0 EBADRP C[C@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC000978183411 804709070 /nfs/dbraw/zinc/70/90/70/804709070.db2.gz UWWICZDTKQBUCO-ZQDZILKHSA-N 2 0 335.452 -0.267 20 0 EBADRP COCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978552048 804859662 /nfs/dbraw/zinc/85/96/62/804859662.db2.gz FHEWDNMAGROJCX-UEIJKTBSSA-N 2 0 335.448 -0.210 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)CC1 ZINC000978681408 804922711 /nfs/dbraw/zinc/92/27/11/804922711.db2.gz TZOXIWMSDJCSKB-LVQVYYBASA-N 2 0 334.464 -0.099 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000978967818 805066193 /nfs/dbraw/zinc/06/61/93/805066193.db2.gz CLMQKNJIQSAQFR-OEYIWLLWSA-N 2 0 343.431 -0.056 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCN4CCNC4=O)C[C@H]32)C1 ZINC000979089164 805130044 /nfs/dbraw/zinc/13/00/44/805130044.db2.gz RMMGKUFJLZXUOG-TUVASFSCSA-N 2 0 335.452 -0.743 20 0 EBADRP Cc1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)[nH]1 ZINC000983717194 807089047 /nfs/dbraw/zinc/08/90/47/807089047.db2.gz YXVAUKBNADLKJU-KBUPBQIOSA-N 2 0 348.451 -0.039 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2C[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)nc1=O ZINC000984201899 807214563 /nfs/dbraw/zinc/21/45/63/807214563.db2.gz BCYLJWXFFMCWLY-JOCQHMNTSA-N 2 0 348.451 -0.279 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000985120208 807448958 /nfs/dbraw/zinc/44/89/58/807448958.db2.gz POONEMQFVWDNHH-APIJFGDWSA-N 2 0 343.493 -0.143 20 0 EBADRP C[C@@H]1[C@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)C[NH+]1CCCC1 ZINC000987525593 807953369 /nfs/dbraw/zinc/95/33/69/807953369.db2.gz PFHNJGRLLILQJC-HUUCEWRRSA-N 2 0 338.452 -0.480 20 0 EBADRP C[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989685422 808557066 /nfs/dbraw/zinc/55/70/66/808557066.db2.gz BLLXXEAZZRXHSE-KBPBESRZSA-N 2 0 348.447 -0.190 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000990519963 808822159 /nfs/dbraw/zinc/82/21/59/808822159.db2.gz UWJDODWYJPUTPH-HBSJQHRPSA-N 2 0 348.447 -0.729 20 0 EBADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)O1 ZINC001001997667 809682162 /nfs/dbraw/zinc/68/21/62/809682162.db2.gz BYAKBYLYVAZZHG-VHDGCEQUSA-N 2 0 338.452 -0.768 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC001002458610 809718430 /nfs/dbraw/zinc/71/84/30/809718430.db2.gz DRDGTYALPMQTIE-JKSUJKDBSA-N 2 0 335.452 -0.081 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001214335944 810239229 /nfs/dbraw/zinc/23/92/29/810239229.db2.gz OKWLCILDJMGSMB-MCIONIFRSA-N 2 0 331.482 -0.048 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001215000052 810298522 /nfs/dbraw/zinc/29/85/22/810298522.db2.gz VVJYSOZJKWEMMS-IJLUTSLNSA-N 2 0 341.456 -0.263 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215421454 810327018 /nfs/dbraw/zinc/32/70/18/810327018.db2.gz FGCVCBXRCOPXMX-HUUCEWRRSA-N 2 0 342.484 -0.083 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423578 810327620 /nfs/dbraw/zinc/32/76/20/810327620.db2.gz PNRFIVMTVBFANC-ZIAGYGMSSA-N 2 0 348.513 -0.296 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001215539957 810334514 /nfs/dbraw/zinc/33/45/14/810334514.db2.gz FHPQDDIDMHHAMN-MGPQQGTHSA-N 2 0 346.497 -0.686 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001216001621 810354508 /nfs/dbraw/zinc/35/45/08/810354508.db2.gz GGBLOKYOGAHATL-CHWSQXEVSA-N 2 0 334.486 -0.686 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001216503653 810375254 /nfs/dbraw/zinc/37/52/54/810375254.db2.gz UDZOPDPYONHAST-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754095 810386035 /nfs/dbraw/zinc/38/60/35/810386035.db2.gz HGWJUWAXQBKUSJ-QLFBSQMISA-N 2 0 340.468 -0.473 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1n[nH]c(-c2ccncc2)n1 ZINC001218521970 810498487 /nfs/dbraw/zinc/49/84/87/810498487.db2.gz DEZGEQSQNIFQKU-GFCCVEGCSA-N 2 0 330.396 -0.444 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218533308 810499846 /nfs/dbraw/zinc/49/98/46/810499846.db2.gz OBDWKFBAOWQEKS-MRVPVSSYSA-N 2 0 347.466 -0.882 20 0 EBADRP NC(=O)NCCC[C@H]([NH3+])C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218532673 810500097 /nfs/dbraw/zinc/50/00/97/810500097.db2.gz IEEYXZGNWWOYGO-SFYZADRCSA-N 2 0 326.426 -0.327 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1ncnn2c(Br)ccc12 ZINC001218566396 810504331 /nfs/dbraw/zinc/50/43/31/810504331.db2.gz HGUQWLWEZFPWMN-SSDOTTSWSA-N 2 0 327.186 -0.082 20 0 EBADRP COC(=O)c1c[nH]c(C(=O)OC)c1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218597228 810509663 /nfs/dbraw/zinc/50/96/63/810509663.db2.gz SBGOAZZZXLMVSG-JTQLQIEISA-N 2 0 338.364 -0.147 20 0 EBADRP CCN1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)CC[NH+](C)C)[C@H]3C2)C1=O ZINC001218600017 810509807 /nfs/dbraw/zinc/50/98/07/810509807.db2.gz FLWBPFCIEQXPFA-SOUVJXGZSA-N 2 0 338.452 -0.530 20 0 EBADRP Cn1nccc1CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218601132 810509916 /nfs/dbraw/zinc/50/99/16/810509916.db2.gz XPAHIHCONGBQSD-JKSUJKDBSA-N 2 0 335.452 -0.174 20 0 EBADRP Cc1nc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)cc(N2CCOCC2)n1 ZINC001218619405 810511663 /nfs/dbraw/zinc/51/16/63/810511663.db2.gz GXUVRHVNIBUYBR-HNNXBMFYSA-N 2 0 334.424 -0.113 20 0 EBADRP Cc1nc(S(C)(=O)=O)ccc1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218661537 810518423 /nfs/dbraw/zinc/51/84/23/810518423.db2.gz OFQXLKUSFNDTRA-IAQYHMDHSA-N 2 0 338.433 -0.069 20 0 EBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N(c1ncccc1N)C1CC[NH2+]CC1 ZINC001218696800 810520204 /nfs/dbraw/zinc/52/02/04/810520204.db2.gz YIYQWILHTPDAAW-NPMABZOXSA-N 2 0 339.465 -0.155 20 0 EBADRP [NH3+]CCNC(=O)/C=C/C(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218725514 810523948 /nfs/dbraw/zinc/52/39/48/810523948.db2.gz WLHKPGNTBOQUHJ-ONEGZZNKSA-N 2 0 332.408 -0.421 20 0 EBADRP COC(=O)/C=C/c1ccc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)nc1 ZINC001218801195 810533781 /nfs/dbraw/zinc/53/37/81/810533781.db2.gz OWGDXBVRNWIKKD-LYKUJDHUSA-N 2 0 347.419 -0.043 20 0 EBADRP O=C(Nc1ccc(N2CC[NH+](CCO)CC2)cc1)[C@@H]1C[NH2+]C[C@H]1O ZINC001218872943 810538454 /nfs/dbraw/zinc/53/84/54/810538454.db2.gz DFAQALJKCBSKCF-HZPDHXFCSA-N 2 0 334.420 -0.680 20 0 EBADRP O=C(Nc1ccc(N2CC[NH+](CCO)CC2)cc1)[C@@H]1C[NH2+]CCN1 ZINC001218873576 810538548 /nfs/dbraw/zinc/53/85/48/810538548.db2.gz KUIGXPNNLJLBLZ-INIZCTEOSA-N 2 0 333.436 -0.699 20 0 EBADRP COC(=O)c1cc(O)c(OC)cc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218883937 810540506 /nfs/dbraw/zinc/54/05/06/810540506.db2.gz ZKCAXAYLFHURHQ-SNVBAGLBSA-N 2 0 335.360 -0.065 20 0 EBADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001218880179 810540518 /nfs/dbraw/zinc/54/05/18/810540518.db2.gz SPOSAMICPGYKJY-FZKQIMNGSA-N 2 0 343.431 -0.378 20 0 EBADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@H]1C[NH2+]CC[C@@H]1O ZINC001218880206 810540758 /nfs/dbraw/zinc/54/07/58/810540758.db2.gz UNRYWJXLDGRUMJ-ZFWWWQNUSA-N 2 0 332.404 -0.359 20 0 EBADRP CO[C@H](C)C[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970201 810551032 /nfs/dbraw/zinc/55/10/32/810551032.db2.gz GFXQNTXAEXVQFS-QLFBSQMISA-N 2 0 329.441 -0.489 20 0 EBADRP C[C@@H](O)CCC[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970004 810551405 /nfs/dbraw/zinc/55/14/05/810551405.db2.gz AOLLWACNMNULFW-OWCLPIDISA-N 2 0 343.468 -0.363 20 0 EBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC001219022332 810555475 /nfs/dbraw/zinc/55/54/75/810555475.db2.gz GDUSGUMKJAABQJ-FZMZJTMJSA-N 2 0 349.435 -0.563 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@@H]([NH3+])[C@@H](C)O)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219498376 810722681 /nfs/dbraw/zinc/72/26/81/810722681.db2.gz XLULVHUUOACQBC-NQEWKILCSA-N 2 0 334.376 -0.475 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@H]1[NH2+]CC[C@H]1O)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219503716 810724973 /nfs/dbraw/zinc/72/49/73/810724973.db2.gz MZCYALGLSNBMNR-HACGYAERSA-N 2 0 346.387 -0.460 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@H]1C[NH2+]C[C@@H]1N)NC(=O)[C@]21CC[NH2+]C1 ZINC001219504685 810726129 /nfs/dbraw/zinc/72/61/29/810726129.db2.gz WEOWICGQFXJKKQ-NSTVUXKKSA-N 2 0 345.403 -0.636 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@@H]1C[NH2+]C[C@@H]1O)NC(=O)[C@]21CC[NH2+]C1 ZINC001219504620 810726315 /nfs/dbraw/zinc/72/63/15/810726315.db2.gz VOXPXVQBSUTVOK-JEIZZZKLSA-N 2 0 346.387 -0.603 20 0 EBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001219617596 810773304 /nfs/dbraw/zinc/77/33/04/810773304.db2.gz MSSSTWZSOZNZSA-HGTKMLMNSA-N 2 0 328.432 -0.761 20 0 EBADRP [NH3+][C@H](C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F)C1CCC2(CC1)OCCO2 ZINC001219621586 810775031 /nfs/dbraw/zinc/77/50/31/810775031.db2.gz DTPVAYQMQKITQZ-KCQAQPDRSA-N 2 0 345.415 -0.574 20 0 EBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001219635977 810781551 /nfs/dbraw/zinc/78/15/51/810781551.db2.gz UJBUCODZVUDEOC-BTIUKSQHSA-N 2 0 332.379 -0.088 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2Cn3cnnc3C23CC[NH2+]CC3)C1 ZINC001219638576 810783421 /nfs/dbraw/zinc/78/34/21/810783421.db2.gz NLQYKZIINYNVKN-MJBXVCDLSA-N 2 0 332.452 -0.109 20 0 EBADRP CCOC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219693092 810799672 /nfs/dbraw/zinc/79/96/72/810799672.db2.gz NCFMFSUWEXZJOW-STQMWFEESA-N 2 0 342.440 -0.497 20 0 EBADRP O=C(NCc1ccc2c(c1)CC[NH2+]C2)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219703872 810802439 /nfs/dbraw/zinc/80/24/39/810802439.db2.gz RVSZKVWQOBGWPY-OAHLLOKOSA-N 2 0 349.456 -0.275 20 0 EBADRP Cc1ccc([C@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2O)N2CCC[NH2+]CC2)cc1 ZINC001219714682 810804861 /nfs/dbraw/zinc/80/48/61/810804861.db2.gz TXFXRBVZFDPDOS-BRWVUGGUSA-N 2 0 332.448 -0.220 20 0 EBADRP CC(C)(C)OC(=O)c1ccc(C[C@H]([NH3+])C(=O)N[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC001219714647 810804966 /nfs/dbraw/zinc/80/49/66/810804966.db2.gz RQGPZOFBBRNFPG-RRFJBIMHSA-N 2 0 349.431 -0.039 20 0 EBADRP [NH3+][C@H]1COC[C@H]1NC(=O)c1ccc2ccc(N3CC[NH2+]CC3)n2c1 ZINC001219720703 810808207 /nfs/dbraw/zinc/80/82/07/810808207.db2.gz PNSRSQABIKBNRK-LSDHHAIUSA-N 2 0 329.404 -0.195 20 0 EBADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743582 810820554 /nfs/dbraw/zinc/82/05/54/810820554.db2.gz HGUVJYZNXFMKPM-HZSPNIEDSA-N 2 0 325.409 -0.445 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743441 810820903 /nfs/dbraw/zinc/82/09/03/810820903.db2.gz DRWIGPRWFFAELV-BFHYXJOUSA-N 2 0 339.436 -0.198 20 0 EBADRP O=C(C[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219765068 810832102 /nfs/dbraw/zinc/83/21/02/810832102.db2.gz UARCJXASYSARHS-DFGXFYAUSA-N 2 0 336.480 -0.055 20 0 EBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219796174 810845504 /nfs/dbraw/zinc/84/55/04/810845504.db2.gz PABNYSXESQOTML-HNNXBMFYSA-N 3 0 337.468 -0.731 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219803197 810848791 /nfs/dbraw/zinc/84/87/91/810848791.db2.gz NGUMUAMQFLGONC-YNEHKIRRSA-N 2 0 325.409 -0.730 20 0 EBADRP [NH3+][C@H](C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1ccc(O)cc1 ZINC001219834356 810868337 /nfs/dbraw/zinc/86/83/37/810868337.db2.gz QBQMZXMQDYIOEH-PVUWLOKVSA-N 2 0 335.404 -0.097 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219834897 810869310 /nfs/dbraw/zinc/86/93/10/810869310.db2.gz UFNWYIUHXOKGIA-IJEWVQPXSA-N 3 0 328.457 -0.785 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219834898 810869481 /nfs/dbraw/zinc/86/94/81/810869481.db2.gz UFNWYIUHXOKGIA-OFQRWUPVSA-N 3 0 328.457 -0.785 20 0 EBADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1ccc2c(n1)CC[NH2+]C2 ZINC001219843843 810875552 /nfs/dbraw/zinc/87/55/52/810875552.db2.gz DPTAALXWLGXADW-FZKQIMNGSA-N 2 0 346.431 -0.148 20 0 EBADRP N[C@@H](C[NH3+])c1ccc(C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)cc1 ZINC001219844976 810875593 /nfs/dbraw/zinc/87/55/93/810875593.db2.gz STSPMCCYLUUMMW-RPVQJOFSSA-N 2 0 348.447 -0.230 20 0 EBADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1ncn2c1C[NH2+]CC2 ZINC001219844695 810875712 /nfs/dbraw/zinc/87/57/12/810875712.db2.gz PXPDREYIUZHHBU-LRDDRELGSA-N 2 0 335.408 -0.889 20 0 EBADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001219852249 810879825 /nfs/dbraw/zinc/87/98/25/810879825.db2.gz PDRCOLZVICXNRI-BPKGMFCQSA-N 2 0 336.480 -0.199 20 0 EBADRP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877875 810891603 /nfs/dbraw/zinc/89/16/03/810891603.db2.gz TXPGYVVQROWNGP-ZNMIVQPWSA-N 2 0 343.468 -0.459 20 0 EBADRP [NH3+]CCNC(=O)/C=C/C(=O)NCc1cccnc1C1CC[NH2+]CC1 ZINC001219929591 810912218 /nfs/dbraw/zinc/91/22/18/810912218.db2.gz OGAPICMNLPGKKG-ONEGZZNKSA-N 2 0 331.420 -0.204 20 0 EBADRP COC(=O)C1(NC(=O)C[C@H]2CO[C@]3(C2)CCC[NH2+]C3)CC[NH2+]CC1 ZINC001219999225 810940331 /nfs/dbraw/zinc/94/03/31/810940331.db2.gz NOIIBBXPFZTETB-CJNGLKHVSA-N 2 0 339.436 -0.053 20 0 EBADRP COC(=O)C1(NC(=O)[C@@H]2C[C@@H](OC(C)(C)C)C[NH2+]2)CC[NH2+]CC1 ZINC001220001014 810942377 /nfs/dbraw/zinc/94/23/77/810942377.db2.gz COHYHMNHQVGWFZ-NEPJUHHUSA-N 2 0 327.425 -0.057 20 0 EBADRP CC(C)(C)OC(=O)C1(NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)CCC([NH3+])CC1 ZINC001220039689 810957844 /nfs/dbraw/zinc/95/78/44/810957844.db2.gz OLFFAYIVXMLDGO-QNGPIJNLSA-N 2 0 326.441 -0.226 20 0 EBADRP COc1ncnc(OC)c1CNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220045202 810958736 /nfs/dbraw/zinc/95/87/36/810958736.db2.gz PUOVNEGSEYCDRV-LBPRGKRZSA-N 2 0 335.408 -0.016 20 0 EBADRP N=c1cc(C[NH3+])ccn1C(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+] ZINC001220044936 810958776 /nfs/dbraw/zinc/95/87/76/810958776.db2.gz FFYCWACPXQOTAQ-AWEZNQCLSA-N 2 0 327.388 -0.247 20 0 EBADRP N=c1cc(C[NH3+])ccn1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220044915 810959063 /nfs/dbraw/zinc/95/90/63/810959063.db2.gz DMCDVNCHVSFGNJ-KBPBESRZSA-N 3 0 348.451 -0.486 20 0 EBADRP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)[C@@H]2C[NH2+]CCN2)c1 ZINC001220120573 810990545 /nfs/dbraw/zinc/99/05/45/810990545.db2.gz HXOVMVAWGBFQQR-LBPRGKRZSA-N 2 0 333.392 -0.040 20 0 EBADRP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)[C@H]2C[NH2+]C[C@@H]2N)c1 ZINC001220120820 810990968 /nfs/dbraw/zinc/99/09/68/810990968.db2.gz QXAMIGMSTZKFQD-RYUDHWBXSA-N 2 0 333.392 -0.055 20 0 EBADRP O=C(N[C@@H]1COCCC12OCCO2)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220172791 811005667 /nfs/dbraw/zinc/00/56/67/811005667.db2.gz BQFOAVSADVUKNX-CHWSQXEVSA-N 2 0 325.409 -0.491 20 0 EBADRP CCC1(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])COC1 ZINC001220170656 811005743 /nfs/dbraw/zinc/00/57/43/811005743.db2.gz QYVTZKCZULSEGG-KBPBESRZSA-N 2 0 340.468 -0.024 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1cc(OC2COC2)ccn1 ZINC001220185333 811009724 /nfs/dbraw/zinc/00/97/24/811009724.db2.gz FZNNAOQZFVXWRG-MRXNPFEDSA-N 2 0 349.435 -0.774 20 0 EBADRP CCOC(=O)CC1(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)COC1 ZINC001220214985 811018300 /nfs/dbraw/zinc/01/83/00/811018300.db2.gz IILWLUASEIXVJH-GFCCVEGCSA-N 2 0 325.409 -0.301 20 0 EBADRP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@@H](O)C1 ZINC001220373001 811077015 /nfs/dbraw/zinc/07/70/15/811077015.db2.gz VHZJQTFFSONBOS-OIISXLGYSA-N 2 0 335.448 -0.297 20 0 EBADRP C[C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036076215 811090205 /nfs/dbraw/zinc/09/02/05/811090205.db2.gz JLUVQQWPDVCNLU-KBPBESRZSA-N 2 0 340.468 -0.343 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)c1ccc(C(=O)NC2CC[NH2+]CC2)cc1 ZINC001220431883 811105840 /nfs/dbraw/zinc/10/58/40/811105840.db2.gz SGRILWFKWLDHTR-MRXNPFEDSA-N 2 0 346.431 -0.113 20 0 EBADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001220431721 811106077 /nfs/dbraw/zinc/10/60/77/811106077.db2.gz NRHXRYYSYFYTLX-UWVGGRQHSA-N 2 0 340.346 -0.733 20 0 EBADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036242922 811127549 /nfs/dbraw/zinc/12/75/49/811127549.db2.gz YGZXBDPOVBKERE-OCCSQVGLSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC[C@H]1[NH2+]CC(N)=O ZINC001036242920 811127692 /nfs/dbraw/zinc/12/76/92/811127692.db2.gz YGZXBDPOVBKERE-GXTWGEPZSA-N 2 0 326.441 -0.591 20 0 EBADRP CN(CC[NH3+])CCNC(=O)[C@H]([NH3+])Cc1cn(C=O)c2ccccc12 ZINC001220516011 811133967 /nfs/dbraw/zinc/13/39/67/811133967.db2.gz OQMQCANDNBBBMU-OAHLLOKOSA-N 2 0 331.420 -0.444 20 0 EBADRP [NH3+]CCOCCOCCNC(=O)c1csc(N2CC[NH2+]CC2)n1 ZINC001220519539 811135691 /nfs/dbraw/zinc/13/56/91/811135691.db2.gz RLPCUCQMNIKGFF-UHFFFAOYSA-N 2 0 343.453 -0.726 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]CCN1CCNC1=O ZINC001036299760 811136922 /nfs/dbraw/zinc/13/69/22/811136922.db2.gz SCAKIRODCVELDR-CABCVRRESA-N 2 0 337.468 -0.066 20 0 EBADRP C[C@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)[C@H](O)c1cccc(O)c1 ZINC001220549087 811149887 /nfs/dbraw/zinc/14/98/87/811149887.db2.gz YRZONCPBWQGUNM-XZJROXQQSA-N 2 0 336.436 -0.319 20 0 EBADRP CC[C@H](C[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1)OC ZINC001220642508 811186249 /nfs/dbraw/zinc/18/62/49/811186249.db2.gz FKLVSPDIMQTYLU-BMFZPTHFSA-N 2 0 343.468 -0.317 20 0 EBADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220651816 811190532 /nfs/dbraw/zinc/19/05/32/811190532.db2.gz PYWOURALEIYUJZ-HNNXBMFYSA-N 3 0 329.448 -0.479 20 0 EBADRP NC(=O)c1ccccc1OCCNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220718698 811217317 /nfs/dbraw/zinc/21/73/17/811217317.db2.gz GOKZJXSZIWXSMS-SJKOYZFVSA-N 2 0 332.404 -0.520 20 0 EBADRP O=C(NC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220743909 811224624 /nfs/dbraw/zinc/22/46/24/811224624.db2.gz VEHFSSDMDPSDBS-HNNXBMFYSA-N 2 0 331.420 -0.503 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CCO)C2)n1 ZINC001036719575 811230217 /nfs/dbraw/zinc/23/02/17/811230217.db2.gz GXJXEEXHBJIDOG-GDBMZVCRSA-N 2 0 335.452 -0.027 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1O ZINC001220768708 811234150 /nfs/dbraw/zinc/23/41/50/811234150.db2.gz ZFFDTYRGHYDBFV-KFWWJZLASA-N 2 0 343.468 -0.459 20 0 EBADRP [NH3+][C@@]12CC[C@@](NC(=O)[C@@H]3CCS(=O)(=O)C34C[NH2+]C4)(C1)CCC2 ZINC001220777228 811238141 /nfs/dbraw/zinc/23/81/41/811238141.db2.gz JFSCXSXQBQSHTP-FPMFFAJLSA-N 2 0 327.450 -0.317 20 0 EBADRP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)C[NH2+]C1 ZINC001220851406 811266216 /nfs/dbraw/zinc/26/62/16/811266216.db2.gz VGTFNZTVWMFJNM-LBPRGKRZSA-N 2 0 327.331 -0.144 20 0 EBADRP CCOC(=O)C1(NC(=O)[C@H]([NH3+])C2CCC3(CC2)OCCO3)C[NH2+]C1 ZINC001220850961 811266641 /nfs/dbraw/zinc/26/66/41/811266641.db2.gz BNVPIQOPJXUCSP-GFCCVEGCSA-N 2 0 341.408 -0.732 20 0 EBADRP CCOC(=O)C1(NC(=O)c2cccc(CN3CC[NH2+]CC3)c2)C[NH2+]C1 ZINC001220853181 811268339 /nfs/dbraw/zinc/26/83/39/811268339.db2.gz OUIUGTXSZJLRHG-UHFFFAOYSA-N 2 0 346.431 -0.273 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CCO)C2)cn1 ZINC001036840524 811283217 /nfs/dbraw/zinc/28/32/17/811283217.db2.gz JJOBZCJRLKYJFE-GOEBONIOSA-N 2 0 335.452 -0.027 20 0 EBADRP [NH3+]CCN(CCNC(=O)[C@@H]([NH3+])C1Cc2ccccc2C1)N(O)N=O ZINC001220900482 811287147 /nfs/dbraw/zinc/28/71/47/811287147.db2.gz KVFDPZWMIBUCNN-AWEZNQCLSA-N 2 0 336.396 -0.607 20 0 EBADRP COC(=O)C[C@@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)c1ccccn1 ZINC001220900721 811289168 /nfs/dbraw/zinc/28/91/68/811289168.db2.gz OQARRNVQVCHASK-DZGCQCFKSA-N 2 0 349.435 -0.448 20 0 EBADRP [NH3+][C@@H](C(=O)N[C@@H]1CCN(C(=O)c2ccncc2)C1)C1CC[NH2+]CC1 ZINC001220921095 811294920 /nfs/dbraw/zinc/29/49/20/811294920.db2.gz ZPFGQGUSRROFLF-HUUCEWRRSA-N 2 0 331.420 -0.261 20 0 EBADRP COc1ccc(CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)nc1OC ZINC001220955989 811310767 /nfs/dbraw/zinc/31/07/67/811310767.db2.gz SSNSFKVBAUPBAT-CYBMUJFWSA-N 2 0 337.424 -0.535 20 0 EBADRP CCc1nnc2ccc(CNC(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)cn21 ZINC001220992118 811331751 /nfs/dbraw/zinc/33/17/51/811331751.db2.gz FCXCZCZGHDFSDI-AWEZNQCLSA-N 2 0 345.451 -0.342 20 0 EBADRP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001220994317 811334371 /nfs/dbraw/zinc/33/43/71/811334371.db2.gz LLFFVHVUDYFZNA-CVEARBPZSA-N 2 0 343.468 -0.577 20 0 EBADRP C[C@@H](C[NH3+])C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148568 811392353 /nfs/dbraw/zinc/39/23/53/811392353.db2.gz GZGALZSLMNNDJW-NSHDSACASA-N 2 0 326.422 -0.473 20 0 EBADRP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221154529 811396933 /nfs/dbraw/zinc/39/69/33/811396933.db2.gz QJAPAUAJJYYRJS-OAGGEKHMSA-N 2 0 343.468 -0.579 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001221188366 811411381 /nfs/dbraw/zinc/41/13/81/811411381.db2.gz UBOBEEUZFSQIBS-HEHGZKQESA-N 2 0 327.425 -0.068 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])CC(=O)OC1CCCCC1 ZINC001221188632 811411518 /nfs/dbraw/zinc/41/15/18/811411518.db2.gz ZUOHTOPNMUWWEO-STQMWFEESA-N 2 0 343.424 -0.024 20 0 EBADRP COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001221257025 811427464 /nfs/dbraw/zinc/42/74/64/811427464.db2.gz VJVMOCSRMVRSPH-KBPBESRZSA-N 2 0 337.424 -0.663 20 0 EBADRP CCOC(=O)/C=C(/NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)OCC ZINC001221262670 811429089 /nfs/dbraw/zinc/42/90/89/811429089.db2.gz MIIBINJQCUSTNO-VWLVURMCSA-N 2 0 328.413 -0.706 20 0 EBADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001221398360 811450447 /nfs/dbraw/zinc/45/04/47/811450447.db2.gz YHPVCODWLGDBDB-JKSUJKDBSA-N 2 0 342.443 -0.067 20 0 EBADRP O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001221410069 811452799 /nfs/dbraw/zinc/45/27/99/811452799.db2.gz PVXRWEUAIZXVDP-KBPBESRZSA-N 2 0 345.451 -0.572 20 0 EBADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001221408311 811452866 /nfs/dbraw/zinc/45/28/66/811452866.db2.gz IHXCJQCREAPIMD-CHWSQXEVSA-N 2 0 327.450 -0.733 20 0 EBADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772749 811531666 /nfs/dbraw/zinc/53/16/66/811531666.db2.gz LFBRCRXDRSZJDM-RBSFLKMASA-N 2 0 325.453 -0.132 20 0 EBADRP CCOC(=O)[C@H]1C[NH2+]CCN1Cc1cccc(C(=O)NCC[NH3+])c1 ZINC001222080324 811593166 /nfs/dbraw/zinc/59/31/66/811593166.db2.gz JGIHYSKNJXYAFL-OAHLLOKOSA-N 2 0 334.420 -0.288 20 0 EBADRP c1cc(N2CC[NH2+]CC2)ncc1CN1CCOC[C@]2(C[NH2+]CCO2)C1 ZINC001222190447 811608719 /nfs/dbraw/zinc/60/87/19/811608719.db2.gz BOEOALBSUSPAGQ-SFHVURJKSA-N 2 0 347.463 -0.318 20 0 EBADRP CN(CC[NH+]1CCC(CNC(=O)CC[NH+](C)C)CC1)S(C)(=O)=O ZINC001224338576 811757657 /nfs/dbraw/zinc/75/76/57/811757657.db2.gz WFEKRVNAFIWHSO-UHFFFAOYSA-N 2 0 348.513 -0.342 20 0 EBADRP C[NH+]1CCC(C(=O)NCC2CC[NH+](CC(=O)NC(N)=O)CC2)CC1 ZINC001224326299 811758056 /nfs/dbraw/zinc/75/80/56/811758056.db2.gz OCDURUCCZMHALW-UHFFFAOYSA-N 2 0 339.440 -0.649 20 0 EBADRP CCN(C(=O)COCC[NH+](C)C)C1CN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001080138143 811911927 /nfs/dbraw/zinc/91/19/27/811911927.db2.gz AGBYQCXOWSJJRX-UHFFFAOYSA-N 2 0 342.484 -0.036 20 0 EBADRP CCN(C(=O)COCC[NH+](C)C)C1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001080138939 811913145 /nfs/dbraw/zinc/91/31/45/811913145.db2.gz UKTJNTBJKHVOQV-HNNXBMFYSA-N 2 0 340.468 -0.282 20 0 EBADRP O=C(NC1CC[NH+](CCOCCO)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001227408055 811920429 /nfs/dbraw/zinc/92/04/29/811920429.db2.gz DUTGLKZRJVDXPI-INIZCTEOSA-N 2 0 325.453 -0.082 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)CC1 ZINC001228238649 811971477 /nfs/dbraw/zinc/97/14/77/811971477.db2.gz IMZFJQJNTUTANT-VXGBXAGGSA-N 2 0 339.440 -0.460 20 0 EBADRP COCCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228377005 811977909 /nfs/dbraw/zinc/97/79/09/811977909.db2.gz JYFNFQGZEJTOSL-BZUAXINKSA-N 2 0 345.484 -0.021 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)C1 ZINC001228603769 811990874 /nfs/dbraw/zinc/99/08/74/811990874.db2.gz UVCDHQSJFKSGDJ-JHJVBQTASA-N 2 0 339.440 -0.460 20 0 EBADRP COCCOC[C@@H](O)C[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001229008760 812008583 /nfs/dbraw/zinc/00/85/83/812008583.db2.gz WIAQYWCOJOXAPL-HNNXBMFYSA-N 2 0 331.457 -0.457 20 0 EBADRP CC(C)[C@H](C(=O)NC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1)[NH+](C)C ZINC001229058037 812010848 /nfs/dbraw/zinc/01/08/48/812010848.db2.gz DOKAMPINGFNERS-DZGCQCFKSA-N 2 0 338.452 -0.042 20 0 EBADRP CC[NH+](CC)CC(=O)NC1CC[NH+](C[C@@H](O)COCCOC)CC1 ZINC001229678918 812048686 /nfs/dbraw/zinc/04/86/86/812048686.db2.gz NMSFOLMHAYXWGF-MRXNPFEDSA-N 2 0 345.484 -0.067 20 0 EBADRP CCN(C(=O)CC[N@H+](C)CC)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001080533792 812048982 /nfs/dbraw/zinc/04/89/82/812048982.db2.gz SRWNRWKMDSRVSS-UHFFFAOYSA-N 2 0 342.484 -0.034 20 0 EBADRP C[C@@H](C(=O)NC1CC1)[NH+]1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001230034404 812070960 /nfs/dbraw/zinc/07/09/60/812070960.db2.gz KMPVWSMJOOPAME-ZDUSSCGKSA-N 2 0 340.468 -0.188 20 0 EBADRP CCN1CC[C@@H]([NH+]2CCC(NC(=O)COCC[NH+](C)C)CC2)C1=O ZINC001230048892 812072550 /nfs/dbraw/zinc/07/25/50/812072550.db2.gz XXTHPMFSLLCEHV-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP CCC[N@H+](C)CC(=O)NC1CC[NH+](C[C@H](O)COCCOC)CC1 ZINC001230113023 812077020 /nfs/dbraw/zinc/07/70/20/812077020.db2.gz NIBQNDRGORLMFM-INIZCTEOSA-N 2 0 345.484 -0.067 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001230149882 812080105 /nfs/dbraw/zinc/08/01/05/812080105.db2.gz TWBPVDDSMOTKEG-RBSFLKMASA-N 2 0 340.468 -0.282 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001230141553 812080532 /nfs/dbraw/zinc/08/05/32/812080532.db2.gz PFSQAMNONZEQJM-VXGBXAGGSA-N 2 0 325.413 -0.706 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC1CC[NH+](CCN2CCNC2=O)CC1 ZINC001230366660 812108660 /nfs/dbraw/zinc/10/86/60/812108660.db2.gz BEWPXWUJFMZVJV-UHFFFAOYSA-N 2 0 325.457 -0.068 20 0 EBADRP Cn1cc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c(=O)n(C)c1=O ZINC001231769341 812306877 /nfs/dbraw/zinc/30/68/77/812306877.db2.gz OJOUPLNDATYONC-UHFFFAOYSA-N 2 0 335.452 -0.704 20 0 EBADRP CN(C[C@H]1CC[N@@H+]1CCOCCO)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001234346510 812413413 /nfs/dbraw/zinc/41/34/13/812413413.db2.gz WQEQRNPXISOLJE-CVEARBPZSA-N 2 0 325.453 -0.130 20 0 EBADRP c1cc(N2CC[NH2+]CC2)ncc1CN1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC001235000707 812459969 /nfs/dbraw/zinc/45/99/69/812459969.db2.gz AAESEWNPQRFFOG-SFHVURJKSA-N 2 0 347.463 -0.318 20 0 EBADRP O=C(C1CC[NH+](Cc2cnc3n2CC[NH2+]CC3)CC1)N1CC[NH2+]CC1 ZINC001235301775 812480154 /nfs/dbraw/zinc/48/01/54/812480154.db2.gz ZVXVYHKFHOAQBK-UHFFFAOYSA-N 3 0 346.479 -0.327 20 0 EBADRP [NH3+]CCN1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001236265363 812515390 /nfs/dbraw/zinc/51/53/90/812515390.db2.gz YMZMLPZCOLXSGA-STQMWFEESA-N 2 0 331.411 -0.839 20 0 EBADRP Nc1nccc(Cl)c1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236309394 812516867 /nfs/dbraw/zinc/51/68/67/812516867.db2.gz NFCDCMGKPNCIBN-UHFFFAOYSA-N 2 0 328.848 -0.067 20 0 EBADRP CC(=O)N1CCC[C@H](CN(CCC[NH3+])CC(=O)NCCC[NH3+])C1 ZINC001236310408 812517349 /nfs/dbraw/zinc/51/73/49/812517349.db2.gz YLZNJMDUQCSFCI-OAHLLOKOSA-N 2 0 327.473 -0.639 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O)[C@@H]1CCC[NH2+]C1 ZINC001236925454 812519888 /nfs/dbraw/zinc/51/98/88/812519888.db2.gz YAZSJLAHIXXXPM-LEOABGAYSA-N 2 0 343.468 -0.161 20 0 EBADRP O=S(=O)(NC1CCN(C2CC[NH2+]CC2)CC1)C1CC[NH2+]CC1 ZINC001238277910 812525247 /nfs/dbraw/zinc/52/52/47/812525247.db2.gz YCRMVIFKGZYPFV-UHFFFAOYSA-N 2 0 330.498 -0.126 20 0 EBADRP CCOC(=O)C[C@@]1(NS(=O)(=O)CC2CC[NH2+]CC2)CC[NH2+]C1 ZINC001238222052 812525416 /nfs/dbraw/zinc/52/54/16/812525416.db2.gz RCHQTBAXTTZXBP-AWEZNQCLSA-N 2 0 333.454 -0.409 20 0 EBADRP O=S(=O)(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)C1CC[NH2+]CC1 ZINC001238326331 812526070 /nfs/dbraw/zinc/52/60/70/812526070.db2.gz KOOOKAZHMZHEQQ-GXTWGEPZSA-N 2 0 333.454 -0.947 20 0 EBADRP CN1CCC(CNS(=O)(=O)CC2CC[NH2+]CC2)([NH+](C)C)CC1 ZINC001238377877 812528276 /nfs/dbraw/zinc/52/82/76/812528276.db2.gz CQVNSFPNRYHYFS-UHFFFAOYSA-N 2 0 332.514 -0.069 20 0 EBADRP [NH3+]CCC[NH2+]CCCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC001238878609 812535084 /nfs/dbraw/zinc/53/50/84/812535084.db2.gz IPYQFQQZWJGRDG-UHFFFAOYSA-N 2 0 339.425 -0.527 20 0 EBADRP O=S(=O)(C1CC[NH2+]CC1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001239044121 812539775 /nfs/dbraw/zinc/53/97/75/812539775.db2.gz WGJRWBNFJFZCHC-UHFFFAOYSA-N 2 0 340.453 -0.746 20 0 EBADRP O=S(=O)(C1CC[NH2+]CC1)N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001239045264 812539872 /nfs/dbraw/zinc/53/98/72/812539872.db2.gz OJSYJVOBRYUMPJ-CQSZACIVSA-N 2 0 333.454 -0.851 20 0 EBADRP O=C(C1CCN(S(=O)(=O)C2CC[NH2+]CC2)CC1)N1CC[NH2+]CC1 ZINC001239061100 812540164 /nfs/dbraw/zinc/54/01/64/812540164.db2.gz SXCQBAGOCUFQMR-UHFFFAOYSA-N 2 0 344.481 -0.788 20 0 EBADRP C[NH+](C)CCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC001239168220 812549889 /nfs/dbraw/zinc/54/98/89/812549889.db2.gz UXDJLGQWVLOOQN-OAHLLOKOSA-N 3 0 332.514 -0.069 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(S(=O)(=O)CC1CC[NH2+]CC1)CC2 ZINC001239173559 812549912 /nfs/dbraw/zinc/54/99/12/812549912.db2.gz SMMRHERLQWYSID-UKRRQHHQSA-N 2 0 345.465 -0.457 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C(=O)NC(=O)c1ccccc1 ZINC001239295798 812550635 /nfs/dbraw/zinc/55/06/35/812550635.db2.gz MESQVBIZSBLGMV-UHFFFAOYSA-N 2 0 335.408 -0.348 20 0 EBADRP [NH3+]CCNC(=S)N1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001239426900 812551751 /nfs/dbraw/zinc/55/17/51/812551751.db2.gz PNZLXDRYNIGHCJ-UHFFFAOYSA-N 2 0 326.470 -0.707 20 0 EBADRP O[C@H](CNc1ccc(N2CC[NH2+]CC2)cn1)CC1(O)CC[NH2+]CC1 ZINC001245954353 812556067 /nfs/dbraw/zinc/55/60/67/812556067.db2.gz BKMXVWXCQSYMKX-HNNXBMFYSA-N 2 0 335.452 -0.231 20 0 EBADRP O[C@H](C[NH2+][C@@H]1CCCC[C@@]12CNCCO2)CC1(O)CC[NH2+]CC1 ZINC001245981299 812557015 /nfs/dbraw/zinc/55/70/15/812557015.db2.gz CNCUNLVKDDMIEZ-ZMSDIMECSA-N 2 0 327.469 -0.257 20 0 EBADRP O[C@H](C[NH2+]C[C@H]1COC2(C1)CC[NH2+]CC2)CC1(O)CC[NH2+]CC1 ZINC001245980190 812557659 /nfs/dbraw/zinc/55/76/59/812557659.db2.gz NBXGNULLGWDFMZ-GJZGRUSLSA-N 3 0 327.469 -0.400 20 0 EBADRP [NH3+]CCCOCCOCCOCCC[NH2+]CC1(O)CC[NH2+]CC1 ZINC001245984021 812558130 /nfs/dbraw/zinc/55/81/30/812558130.db2.gz LRESCIKAWIMGGF-UHFFFAOYSA-N 3 0 333.473 -0.521 20 0 EBADRP COC(=O)CC1(NC[C@@H](O)CC2(O)CC[NH2+]CC2)CC[NH2+]CC1 ZINC001246009735 812559372 /nfs/dbraw/zinc/55/93/72/812559372.db2.gz GTHXHSOBKGOZFG-ZDUSSCGKSA-N 2 0 329.441 -0.873 20 0 EBADRP O[C@@H](CN1CC[NH2+]C[C@]2(CCCCN2)C1)CC1(O)CC[NH2+]CC1 ZINC001246024286 812559778 /nfs/dbraw/zinc/55/97/78/812559778.db2.gz DXJKJJTYBJVURU-HZPDHXFCSA-N 2 0 326.485 -0.731 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCO[C@@H]2C[NH2+]C[C@H]21 ZINC001246030577 812560018 /nfs/dbraw/zinc/56/00/18/812560018.db2.gz SVRKZQMBEUVCJZ-ZJIFWQFVSA-N 2 0 327.375 -0.132 20 0 EBADRP O[C@@]1(C[N@H+](CCCN2CCOCC2)CC2CC[NH2+]CC2)CC[NH2+]C1 ZINC001246053184 812562570 /nfs/dbraw/zinc/56/25/70/812562570.db2.gz QBLINPFODUVMRK-SFHVURJKSA-N 3 0 340.512 -0.265 20 0 EBADRP O=C([C@@H]1C[C@@H](NC[C@@H]2CC3(CC[NH2+]CC3)O2)C[NH2+]1)N1CCSC1 ZINC001246132705 812566110 /nfs/dbraw/zinc/56/61/10/812566110.db2.gz NANLDDJSJVPRBJ-RDBSUJKOSA-N 2 0 340.493 -0.250 20 0 EBADRP COC(=O)C1C[C@@H]2CC(NCc3nnn4c3C[NH2+]CCC4)C[C@H](C1)[NH2+]2 ZINC001246134091 812566324 /nfs/dbraw/zinc/56/63/24/812566324.db2.gz PAQSDWNFMNFGDZ-LLZFXZEUSA-N 2 0 348.451 -0.067 20 0 EBADRP O=C([C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)CN1)N1CCSC1 ZINC001246132954 812566453 /nfs/dbraw/zinc/56/64/53/812566453.db2.gz GQOJGZQJYCYGNQ-QMVSFRDZSA-N 2 0 326.466 -0.784 20 0 EBADRP O=C([C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)CN1)N1CCSC1 ZINC001246151136 812567387 /nfs/dbraw/zinc/56/73/87/812567387.db2.gz ZACQACAAUDIXAY-HOSILWTGSA-N 2 0 340.493 -0.250 20 0 EBADRP [NH3+]CCCOCCOCCOCCC[NH2+][C@H]1CCOC2(C[NH2+]C2)C1 ZINC001246201100 812568004 /nfs/dbraw/zinc/56/80/04/812568004.db2.gz FBUDCYLORGJHAK-INIZCTEOSA-N 3 0 345.484 -0.114 20 0 EBADRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246217818 812568622 /nfs/dbraw/zinc/56/86/22/812568622.db2.gz XMSBDTBBIYKCDL-FVQHAEBGSA-N 3 0 345.484 -0.401 20 0 EBADRP CC(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246266962 812569905 /nfs/dbraw/zinc/56/99/05/812569905.db2.gz LSWAYQNGSJQBSV-CQSZACIVSA-N 2 0 330.498 -0.127 20 0 EBADRP COC(=O)[C@H](NC1C[C@H]2CC(C(=O)OC)C[C@@H](C1)[NH2+]2)[C@@H]1CC[NH2+]C1 ZINC001246493934 812574094 /nfs/dbraw/zinc/57/40/94/812574094.db2.gz BLLLNFPTRUCSQL-KVXIRKCPSA-N 2 0 339.436 -0.201 20 0 EBADRP COC(=O)[C@@H]1C[C@H]([N@@H+]2CCNC3(CC[NH2+]CC3)C2)C[C@@H]1C(=O)OC ZINC001246594043 812576207 /nfs/dbraw/zinc/57/62/07/812576207.db2.gz IVZOEYGALFGIKW-BTTYYORXSA-N 2 0 339.436 -0.245 20 0 EBADRP CCOC(=O)[C@@]12C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]1C[NH2+]CCC2 ZINC001246596648 812576975 /nfs/dbraw/zinc/57/69/75/812576975.db2.gz QIIVSYBNIPLKJQ-MPGHIAIKSA-N 3 0 336.480 -0.055 20 0 EBADRP O=C([C@@H]1C[C@H](N2CCC3(CC2)C[NH2+]CCO3)C[NH2+]1)N1CCSC1 ZINC001246604496 812577072 /nfs/dbraw/zinc/57/70/72/812577072.db2.gz QTCOTLPBMRQKNV-KBPBESRZSA-N 2 0 340.493 -0.296 20 0 EBADRP O=C([C@@H]1C[C@@H](N2CCOCC23CC[NH2+]CC3)C[NH2+]1)N1CCSC1 ZINC001246642094 812577900 /nfs/dbraw/zinc/57/79/00/812577900.db2.gz GPVLNFDNLPXVLS-KGLIPLIRSA-N 2 0 340.493 -0.296 20 0 EBADRP CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CN[C@@H](C(=O)OC)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246683281 812580879 /nfs/dbraw/zinc/58/08/79/812580879.db2.gz QIGWDPHGJDMZIY-ZJOBFFGXSA-N 2 0 339.436 -0.245 20 0 EBADRP C[C@@H]1C[C@@H](N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)CC[NH2+]1 ZINC001246736660 812584463 /nfs/dbraw/zinc/58/44/63/812584463.db2.gz NIPACKMQTKQBBY-OLZOCXBDSA-N 2 0 341.481 -0.069 20 0 EBADRP COC(=O)C1C[C@@H]2CC(N3C[C@H](C(=O)OC)C[C@H]([NH3+])C3)C[C@H](C1)[NH2+]2 ZINC001246797227 812587865 /nfs/dbraw/zinc/58/78/65/812587865.db2.gz NIDNPIGRIOKZLD-DLYHETSESA-N 2 0 339.436 -0.119 20 0 EBADRP COCCN([C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)C1CC[NH2+]CC1 ZINC001246835211 812590829 /nfs/dbraw/zinc/59/08/29/812590829.db2.gz HUHZBTIQAPEINK-GJZGRUSLSA-N 2 0 342.509 -0.050 20 0 EBADRP [NH3+]C1CN([C@H]2CCCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)C1 ZINC001246867469 812591367 /nfs/dbraw/zinc/59/13/67/812591367.db2.gz HZWAINBGFUGJKY-KKUMJFAQSA-N 2 0 339.509 -0.643 20 0 EBADRP CCOC(=O)[C@@H]1CC[C@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])C1 ZINC001246925548 812592998 /nfs/dbraw/zinc/59/29/98/812592998.db2.gz NLXQBFXUNKGVPQ-KGLIPLIRSA-N 3 0 328.457 -0.166 20 0 EBADRP CCOC(=O)[C@H]1C[N@@H+]([C@H]2CC[C@@H](C(=O)OC)NC2)CCC12C[NH2+]C2 ZINC001247009131 812596071 /nfs/dbraw/zinc/59/60/71/812596071.db2.gz OKVBOZCVTCIRHU-MJBXVCDLSA-N 2 0 339.436 -0.245 20 0 EBADRP C[NH+](C)Cc1ccc(-c2noc(CNC(=O)CNC(=O)C[NH3+])n2)cc1 ZINC001248460812 812606033 /nfs/dbraw/zinc/60/60/33/812606033.db2.gz RZBJHMYPXOAIGW-UHFFFAOYSA-N 2 0 346.391 -0.511 20 0 EBADRP C[C@H](NC(=O)[C@H](C)[NH2+]C1CCC([NH+]2CCOCC2)CC1)C(N)=O ZINC001256687879 812737472 /nfs/dbraw/zinc/73/74/72/812737472.db2.gz JEHREORTJGGENF-FEPKRQSRSA-N 2 0 326.441 -0.402 20 0 EBADRP CCC[NH+]1CCC([NH2+]CCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)CC1 ZINC001258771675 812798142 /nfs/dbraw/zinc/79/81/42/812798142.db2.gz OBMQOAQIVPHLDI-BPKBQXTESA-N 2 0 332.441 -0.706 20 0 EBADRP CC(C)[NH+]1CCC(NC(=O)CN2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC001261503067 812921243 /nfs/dbraw/zinc/92/12/43/812921243.db2.gz LCHUYWRQWPYJKZ-QGZVFWFLSA-N 2 0 337.512 -0.045 20 0 EBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001261819751 812991031 /nfs/dbraw/zinc/99/10/31/812991031.db2.gz IPKGAWYVPJZWQW-STQMWFEESA-N 2 0 326.441 -0.401 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001262592973 813098345 /nfs/dbraw/zinc/09/83/45/813098345.db2.gz GNEITTDDSDHZPT-HNNXBMFYSA-N 2 0 327.473 -0.308 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1O ZINC001081506617 813098761 /nfs/dbraw/zinc/09/87/61/813098761.db2.gz UZNOWEGZIYIPQY-GJZGRUSLSA-N 2 0 342.484 -0.396 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CCO1 ZINC001263161525 813109226 /nfs/dbraw/zinc/10/92/26/813109226.db2.gz IFPWKENXRRBIOA-CABCVRRESA-N 2 0 340.468 -0.247 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001081553917 813168649 /nfs/dbraw/zinc/16/86/49/813168649.db2.gz PBUYXFBFYRMPNV-GJZGRUSLSA-N 2 0 342.484 -0.396 20 0 EBADRP CC(C)[NH+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001081554605 813170743 /nfs/dbraw/zinc/17/07/43/813170743.db2.gz XIZUQYZLGHAPPZ-GJZGRUSLSA-N 2 0 342.484 -0.398 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001081564022 813189426 /nfs/dbraw/zinc/18/94/26/813189426.db2.gz FKWBGMNTEHYMSO-DZGCQCFKSA-N 2 0 340.468 -0.642 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001265043189 813227154 /nfs/dbraw/zinc/22/71/54/813227154.db2.gz DYYMOKMWBOEGJM-GFCCVEGCSA-N 2 0 341.456 -0.260 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1O ZINC001081634329 813334882 /nfs/dbraw/zinc/33/48/82/813334882.db2.gz GDJOUVPLGCTSIQ-HUUCEWRRSA-N 2 0 342.484 -0.395 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001265636550 813352979 /nfs/dbraw/zinc/35/29/79/813352979.db2.gz LHNUWANMJOEABC-KGLIPLIRSA-N 2 0 338.452 -0.040 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CCN1C(=O)CNC1=O)[NH+](C)C ZINC001265852647 813386634 /nfs/dbraw/zinc/38/66/34/813386634.db2.gz GWQTXAVJSGGRTL-WCQYABFASA-N 2 0 327.429 -0.781 20 0 EBADRP C[N@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CC(=O)NC(N)=O ZINC001265871678 813395036 /nfs/dbraw/zinc/39/50/36/813395036.db2.gz DMBTZKYOJQYSBT-OLZOCXBDSA-N 2 0 339.440 -0.364 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001265869725 813395103 /nfs/dbraw/zinc/39/51/03/813395103.db2.gz ATDATOZBZSPLME-CHWSQXEVSA-N 2 0 339.440 -0.493 20 0 EBADRP CCNC(=O)NC(=O)C[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001265902755 813410653 /nfs/dbraw/zinc/41/06/53/813410653.db2.gz VAQCRPGRZNWDTM-GFCCVEGCSA-N 2 0 327.429 -0.636 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001265989076 813433915 /nfs/dbraw/zinc/43/39/15/813433915.db2.gz AZHPOMQDDVKUIV-GJZGRUSLSA-N 2 0 337.468 -0.066 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081700759 813438747 /nfs/dbraw/zinc/43/87/47/813438747.db2.gz LAYKAGUSJSKNPA-CABCVRRESA-N 2 0 342.484 -0.395 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001081701564 813440619 /nfs/dbraw/zinc/44/06/19/813440619.db2.gz XHFPEFNKYYEMEO-HUUCEWRRSA-N 2 0 342.484 -0.395 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081703696 813442464 /nfs/dbraw/zinc/44/24/64/813442464.db2.gz TXRRSHMDVVJEJU-GJZGRUSLSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]CCN1C(=O)CNC1=O ZINC001266173307 813471751 /nfs/dbraw/zinc/47/17/51/813471751.db2.gz YKVFWUVKQGCBSO-GFCCVEGCSA-N 2 0 339.440 -0.636 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC(=O)NC(N)=O ZINC001266204880 813478575 /nfs/dbraw/zinc/47/85/75/813478575.db2.gz ZMZCETGZXJIWMI-STQMWFEESA-N 2 0 339.440 -0.364 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1O ZINC001081736015 813494432 /nfs/dbraw/zinc/49/44/32/813494432.db2.gz SAUPNUXZWJXEEI-ZFWWWQNUSA-N 2 0 340.468 -0.642 20 0 EBADRP COCCOC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001266353115 813545564 /nfs/dbraw/zinc/54/55/64/813545564.db2.gz ONLIYGYIMBADGD-LSDHHAIUSA-N 2 0 341.452 -0.703 20 0 EBADRP O=C(NC[C@@H]([NH2+]CCN1C(=O)CCC1=O)C1CC1)C12CC[NH+](CC1)C2 ZINC001266438904 813570788 /nfs/dbraw/zinc/57/07/88/813570788.db2.gz GHGGFYJOBNQSGO-CQSZACIVSA-N 2 0 348.447 -0.284 20 0 EBADRP CN(CC[NH2+]CCNS(C)(=O)=O)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001266741556 813657808 /nfs/dbraw/zinc/65/78/08/813657808.db2.gz YIGOBBGIXWXDJJ-KGLIPLIRSA-N 2 0 346.497 -0.400 20 0 EBADRP CN(CC[NH2+]CCNS(C)(=O)=O)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001266741557 813658232 /nfs/dbraw/zinc/65/82/32/813658232.db2.gz YIGOBBGIXWXDJJ-UONOGXRCSA-N 2 0 346.497 -0.400 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267025186 813738463 /nfs/dbraw/zinc/73/84/63/813738463.db2.gz MEEULTOCHJIJOZ-OLZOCXBDSA-N 2 0 332.470 -0.932 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001267048758 813746403 /nfs/dbraw/zinc/74/64/03/813746403.db2.gz ZQPKGDNCXONHIP-ZIAGYGMSSA-N 2 0 331.482 -0.047 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001267064027 813750160 /nfs/dbraw/zinc/75/01/60/813750160.db2.gz BVIYSJRIZDSNMH-AWEZNQCLSA-N 2 0 338.452 -0.085 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001267068083 813751600 /nfs/dbraw/zinc/75/16/00/813751600.db2.gz CRZXKBVCGGSWJR-KGLIPLIRSA-N 2 0 346.497 -0.685 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267068084 813751759 /nfs/dbraw/zinc/75/17/59/813751759.db2.gz CRZXKBVCGGSWJR-UONOGXRCSA-N 2 0 346.497 -0.685 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)CCN2C(=O)CNC2=O)C1 ZINC001267110670 813761594 /nfs/dbraw/zinc/76/15/94/813761594.db2.gz HAXFLQXDONERMU-CYBMUJFWSA-N 2 0 339.440 -0.587 20 0 EBADRP CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)CC[NH+](C)C ZINC001267175416 813778679 /nfs/dbraw/zinc/77/86/79/813778679.db2.gz VDEXPRSSSNIDTE-ZDUSSCGKSA-N 2 0 341.456 -0.246 20 0 EBADRP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCN1C(=O)CNC1=O)[NH+](C)C ZINC001267275986 813814745 /nfs/dbraw/zinc/81/47/45/813814745.db2.gz LMPZTCOEHCDFJS-STQMWFEESA-N 2 0 339.440 -0.541 20 0 EBADRP CN(CC[NH2+]CC(=O)NC[C@@H]1CCOC1)C(=O)C12CC[NH+](CC1)C2 ZINC001267456562 813902466 /nfs/dbraw/zinc/90/24/66/813902466.db2.gz BDJLGHIJEXWHRI-AWEZNQCLSA-N 2 0 338.452 -0.717 20 0 EBADRP CO[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001082368700 813923765 /nfs/dbraw/zinc/92/37/65/813923765.db2.gz LAJLZGUWJBFSFS-ARFHVFGLSA-N 2 0 348.447 -0.348 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[N@H+](CCOCCO)C1 ZINC001267622364 813957502 /nfs/dbraw/zinc/95/75/02/813957502.db2.gz XARUMAMVUYWDNG-HZPDHXFCSA-N 2 0 343.468 -0.456 20 0 EBADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001082557599 813967406 /nfs/dbraw/zinc/96/74/06/813967406.db2.gz RYSBBKPKBSOHTM-FRRDWIJNSA-N 2 0 336.436 -0.288 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001082742946 814003149 /nfs/dbraw/zinc/00/31/49/814003149.db2.gz XYZHBVCQHHUJMX-RBSFLKMASA-N 2 0 337.468 -0.210 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1)[NH+](C)C ZINC001082748476 814004204 /nfs/dbraw/zinc/00/42/04/814004204.db2.gz NOCICXURBYJDST-MCIONIFRSA-N 2 0 325.457 -0.212 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001267749994 814023331 /nfs/dbraw/zinc/02/33/31/814023331.db2.gz WMOBUCNKGOFGLU-GFCCVEGCSA-N 2 0 339.440 -0.541 20 0 EBADRP C[C@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001268095014 814124027 /nfs/dbraw/zinc/12/40/27/814124027.db2.gz RLHLCFDTTBYYQK-GFCCVEGCSA-N 2 0 332.470 -0.932 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001268142882 814134092 /nfs/dbraw/zinc/13/40/92/814134092.db2.gz RWBQZLXXCZXIEA-ZIAGYGMSSA-N 2 0 346.497 -0.542 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001268152345 814135241 /nfs/dbraw/zinc/13/52/41/814135241.db2.gz XHKBYSVFBXSJPZ-OLZOCXBDSA-N 2 0 339.440 -0.364 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001268152347 814135841 /nfs/dbraw/zinc/13/58/41/814135841.db2.gz XHKBYSVFBXSJPZ-STQMWFEESA-N 2 0 339.440 -0.364 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001268371365 814225015 /nfs/dbraw/zinc/22/50/15/814225015.db2.gz QOBMRHJJQSZWGX-STQMWFEESA-N 2 0 338.456 -0.033 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001268631054 814331420 /nfs/dbraw/zinc/33/14/20/814331420.db2.gz VTIVWKMYLHPNPL-IYKSTZQJSA-N 2 0 340.468 -0.164 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001268631057 814331860 /nfs/dbraw/zinc/33/18/60/814331860.db2.gz VTIVWKMYLHPNPL-YVACAVLKSA-N 2 0 340.468 -0.164 20 0 EBADRP C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268711836 814361544 /nfs/dbraw/zinc/36/15/44/814361544.db2.gz WXIKLWMMZDLXAY-STQMWFEESA-N 2 0 334.486 -0.686 20 0 EBADRP O=C(NCC1C[NH+](CCOCCO)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001268854892 814415694 /nfs/dbraw/zinc/41/56/94/814415694.db2.gz WSLPTNWAMQHHCT-UHFFFAOYSA-N 2 0 345.403 -0.062 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1C[NH+](CCCN2C(=O)CNC2=O)C1 ZINC001268911306 814440048 /nfs/dbraw/zinc/44/00/48/814440048.db2.gz KTWZBLKFSUYDIB-UHFFFAOYSA-N 2 0 339.440 -0.684 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001268920834 814442852 /nfs/dbraw/zinc/44/28/52/814442852.db2.gz XRULPPWJBKIWAI-OLZOCXBDSA-N 2 0 343.472 -0.145 20 0 EBADRP CN(CC(=O)N1CCC[C@]2(CN(CC[NH+](C)C)CCO2)C1)C(N)=[NH2+] ZINC001268996544 814467715 /nfs/dbraw/zinc/46/77/15/814467715.db2.gz MQULMYIVKOYPPZ-INIZCTEOSA-N 2 0 340.472 -0.933 20 0 EBADRP O=C(CC[NH+]1CCCCC1)NC[C@@H]1CCN1[C@H]1CCC(=O)NC1=O ZINC001269352176 814656666 /nfs/dbraw/zinc/65/66/66/814656666.db2.gz SDWIJAMZAZPYIU-KBPBESRZSA-N 2 0 336.436 -0.142 20 0 EBADRP Cn1cc(CC[N@H+]2C[C@@H](NC(=O)CC3CC[NH+](C)CC3)[C@@H](O)C2)cn1 ZINC001083833016 815638566 /nfs/dbraw/zinc/63/85/66/815638566.db2.gz FUQSOYQBCHEHLT-SJORKVTESA-N 2 0 349.479 -0.144 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001269958906 815651662 /nfs/dbraw/zinc/65/16/62/815651662.db2.gz KTZIJXRTISUJPP-UONOGXRCSA-N 2 0 348.513 -0.154 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001269958907 815651872 /nfs/dbraw/zinc/65/18/72/815651872.db2.gz KTZIJXRTISUJPP-ZIAGYGMSSA-N 2 0 348.513 -0.154 20 0 EBADRP CCOCCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001270021806 815664186 /nfs/dbraw/zinc/66/41/86/815664186.db2.gz INVHLLSEKLNVHL-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001083937338 815723974 /nfs/dbraw/zinc/72/39/74/815723974.db2.gz YQWAHTKHKCCJKF-MAZHCROVSA-N 2 0 325.453 -0.350 20 0 EBADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]CCN1C(=O)CCC1=O ZINC001270418972 815772371 /nfs/dbraw/zinc/77/23/71/815772371.db2.gz FBEGZHMTRGFJMC-CYBMUJFWSA-N 2 0 338.452 -0.038 20 0 EBADRP CN(C[C@H]1CC[N@@H+]1C[C@@H](O)Cn1cccn1)C(=O)C12CC[NH+](CC1)C2 ZINC001085928173 816181210 /nfs/dbraw/zinc/18/12/10/816181210.db2.gz PQSSIDORUQGZIR-HZPDHXFCSA-N 2 0 347.463 -0.128 20 0 EBADRP C[NH+](C)CCN1CC2(C1)CCN(C(=O)C1(O)CC[NH+](C)CC1)CC2 ZINC001271803264 816216191 /nfs/dbraw/zinc/21/61/91/816216191.db2.gz AEUPARVHRZAYAC-UHFFFAOYSA-N 2 0 338.496 -0.071 20 0 EBADRP Cc1nnc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)[nH]1 ZINC001086091828 816226730 /nfs/dbraw/zinc/22/67/30/816226730.db2.gz PBKWLUUOTVZKJD-LJISPDSOSA-N 2 0 348.451 -0.039 20 0 EBADRP C[NH+](C)CCN1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H](C1)O2 ZINC001271939453 816259286 /nfs/dbraw/zinc/25/92/86/816259286.db2.gz FTKBSROELYHIQV-BBWFWOEESA-N 2 0 336.480 -0.199 20 0 EBADRP Cn1cc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)nn1 ZINC001086373305 816310366 /nfs/dbraw/zinc/31/03/66/816310366.db2.gz SLKXMMPXSSKGIK-XOUADPBQSA-N 2 0 348.451 -0.337 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]CC(=O)NC(C)(C)C ZINC001272129772 816320764 /nfs/dbraw/zinc/32/07/64/816320764.db2.gz PSTSDEIDKNCWHZ-CYBMUJFWSA-N 2 0 328.457 -0.594 20 0 EBADRP CN(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H](O)C[NH+]1C)CC2 ZINC001272273796 816382202 /nfs/dbraw/zinc/38/22/02/816382202.db2.gz YHGXQHZSXQVAHE-HOTGVXAUSA-N 2 0 338.496 -0.073 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2[NH2+]CCO)cn1 ZINC001086982547 816433838 /nfs/dbraw/zinc/43/38/38/816433838.db2.gz PQOLPKHUSDHTFI-ARFHVFGLSA-N 2 0 335.452 -0.363 20 0 EBADRP O=C(NC[C@H](O)C[NH2+]CCn1cccn1)C12CCC[NH+](CCC1)C2 ZINC001272453025 816435567 /nfs/dbraw/zinc/43/55/67/816435567.db2.gz KAIZEGOELDVTIF-OAHLLOKOSA-N 2 0 335.452 -0.174 20 0 EBADRP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@H+](C[C@@H]3CCC(=O)N3)C2)C1=O ZINC001272524612 816457456 /nfs/dbraw/zinc/45/74/56/816457456.db2.gz KXDSZRARWDYODS-GUYCJALGSA-N 2 0 336.436 -0.332 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CC[NH+](C)C[C@@]2(CCCC(=O)N2)C1 ZINC001272556112 816472733 /nfs/dbraw/zinc/47/27/33/816472733.db2.gz VVRVWEHCZJXTDO-PBHICJAKSA-N 2 0 337.468 -0.955 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001272704702 816508931 /nfs/dbraw/zinc/50/89/31/816508931.db2.gz UJHLLGDYGDNOIT-KGLIPLIRSA-N 2 0 328.457 -0.332 20 0 EBADRP C[C@H](CC[NH2+]Cc1nnnn1C1CC1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001272704906 816509188 /nfs/dbraw/zinc/50/91/88/816509188.db2.gz WQPAVPSFVIROGZ-YPMHNXCESA-N 2 0 337.428 -0.677 20 0 EBADRP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088172129 816641257 /nfs/dbraw/zinc/64/12/57/816641257.db2.gz XDUIXJFXHNPLAX-KFWWJZLASA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(N1C[C@@H]2C[N@H+]([C@H]3CCNC3=O)CC[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001088172186 816642896 /nfs/dbraw/zinc/64/28/96/816642896.db2.gz ZHLIYVCEUYWZOZ-ILXRZTDVSA-N 2 0 332.448 -0.249 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NC4CC4)CC[C@@H]3C2)C1 ZINC001088200259 816648218 /nfs/dbraw/zinc/64/82/18/816648218.db2.gz VMXKDBHHYVUKBY-ILXRZTDVSA-N 2 0 334.464 -0.003 20 0 EBADRP CCCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001273359364 816653490 /nfs/dbraw/zinc/65/34/90/816653490.db2.gz WNWUNGPCHMGKRX-OAHLLOKOSA-N 2 0 340.468 -0.185 20 0 EBADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](C[C@H]3COCCO3)C2)OCC1=O ZINC001273773093 816756446 /nfs/dbraw/zinc/75/64/46/816756446.db2.gz BVBVEMJHRYTKMD-GOEBONIOSA-N 2 0 327.425 -0.733 20 0 EBADRP C[NH+](C)CCN1CC2(CN(C[C@H](O)C[NH2+]C(C)(C)C)C2)OCC1=O ZINC001273863278 816788741 /nfs/dbraw/zinc/78/87/41/816788741.db2.gz GWEYECFEDUQEKW-CQSZACIVSA-N 2 0 342.484 -0.790 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@](CO)([NH2+]CCOCCO)C2)C1 ZINC001273910742 816806863 /nfs/dbraw/zinc/80/68/63/816806863.db2.gz KNTLFIRGGINJRK-DOTOQJQBSA-N 2 0 343.468 -0.720 20 0 EBADRP C[NH+](C)CCN1CC[C@]2(CC[N@H+](Cc3c[nH]c(=O)[nH]c3=O)C2)C1=O ZINC001274174753 816885644 /nfs/dbraw/zinc/88/56/44/816885644.db2.gz PYPBVVAOZDHHBZ-INIZCTEOSA-N 2 0 335.408 -0.126 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C/C=C\CNC(=O)C1(C[NH+](C)C)CC1 ZINC001274318284 816930327 /nfs/dbraw/zinc/93/03/27/816930327.db2.gz NIDZRXDHHUVJEQ-PLNGDYQASA-N 2 0 325.413 -0.954 20 0 EBADRP NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001089892444 816935009 /nfs/dbraw/zinc/93/50/09/816935009.db2.gz JPMHOAXPJKAKGA-YJNKXOJESA-N 2 0 332.448 -0.264 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[NH+](CCO)CC3(CCOCC3)C2)C1 ZINC001089969486 816957108 /nfs/dbraw/zinc/95/71/08/816957108.db2.gz UFEQQYXYVNIWGO-LSDHHAIUSA-N 2 0 325.453 -0.082 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)COC1CC[NH+](C)CC1 ZINC001274471531 816974761 /nfs/dbraw/zinc/97/47/61/816974761.db2.gz IAQNBOPCPLKLMN-ZFDPJTLLSA-N 2 0 326.441 -0.506 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(O)(C[NH2+]CCOCCO)CC1 ZINC001274528853 816992573 /nfs/dbraw/zinc/99/25/73/816992573.db2.gz PZMBPYSCMINKPP-OAHLLOKOSA-N 2 0 343.468 -0.577 20 0 EBADRP C[NH+](C)CCN1c2ccccc2[C@@]2(CC[N@H+](C[C@H](O)CO)C2)C1=O ZINC001274566104 817011625 /nfs/dbraw/zinc/01/16/25/817011625.db2.gz VLOOWTYEGAFVRQ-KSSFIOAISA-N 2 0 333.432 -0.109 20 0 EBADRP CCOC[C@H](O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001274568578 817015118 /nfs/dbraw/zinc/01/51/18/817015118.db2.gz WBKPUOQUJMJIJR-WBVHZDCISA-N 2 0 343.468 -0.504 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC/C=C\CNCc1nncn1C ZINC001274577553 817018730 /nfs/dbraw/zinc/01/87/30/817018730.db2.gz ATPVBBOQEDUMSH-NQHOJNORSA-N 2 0 336.440 -0.455 20 0 EBADRP COCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]12 ZINC001274980189 817136257 /nfs/dbraw/zinc/13/62/57/817136257.db2.gz GSPHLNCPJMRDRM-ZIAGYGMSSA-N 2 0 338.452 -0.767 20 0 EBADRP C[C@@H](C[NH2+]CCOCC(F)(F)F)NC(=O)[C@H]1CN(C)CCO1 ZINC001275105247 817150351 /nfs/dbraw/zinc/15/03/51/817150351.db2.gz PEUCFHRIXNUJHS-WDEREUQCSA-N 2 0 327.347 -0.010 20 0 EBADRP C[NH+]1CCC(C[NH+]2CC3(CN(C(=O)Cn4cccnc4=O)C3)C2)CC1 ZINC001276689039 817452880 /nfs/dbraw/zinc/45/28/80/817452880.db2.gz ZDQATAZUMLZGAC-UHFFFAOYSA-N 2 0 345.447 -0.271 20 0 EBADRP C[NH+](C)CCN1CC2(C1)C[NH+](CC1CCN(S(C)(=O)=O)CC1)C2 ZINC001276714134 817459185 /nfs/dbraw/zinc/45/91/85/817459185.db2.gz XBUXWPGLCVPQLA-UHFFFAOYSA-N 2 0 344.525 -0.163 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C[C@@H]2O)CC1 ZINC001090537390 817519834 /nfs/dbraw/zinc/51/98/34/817519834.db2.gz KUSBCMYFZGDPEU-GJZGRUSLSA-N 2 0 336.440 -0.829 20 0 EBADRP Cc1cncn1CC(=O)N[C@@H](C)CCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001277247511 817538006 /nfs/dbraw/zinc/53/80/06/817538006.db2.gz VYPUQARSHPMMEA-JQWIXIFHSA-N 2 0 338.412 -0.351 20 0 EBADRP C[NH+](C)CCNC(=S)N1CC[N@H+](C)C[C@]2(CCCC(=O)N2)C1 ZINC001277452996 817572519 /nfs/dbraw/zinc/57/25/19/817572519.db2.gz YRXGQGZHAUTBHH-OAHLLOKOSA-N 2 0 327.498 -0.291 20 0 EBADRP CC(=O)NCCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001277824113 817641372 /nfs/dbraw/zinc/64/13/72/817641372.db2.gz TWHBESDYWIQCER-CVEARBPZSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3cn[nH]c3)C[C@H]12 ZINC001277957757 817662971 /nfs/dbraw/zinc/66/29/71/817662971.db2.gz CYDBQANZEYGQOR-NWANDNLSSA-N 2 0 333.436 -0.197 20 0 EBADRP CCC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001277994925 817671163 /nfs/dbraw/zinc/67/11/63/817671163.db2.gz KYTGEQNURWXOQW-QWHCGFSZSA-N 2 0 326.441 -0.040 20 0 EBADRP O=C(N[C@H]1CC[N@@H+](CCO)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001090708438 817682315 /nfs/dbraw/zinc/68/23/15/817682315.db2.gz SFVBXINANGCFBM-JKSUJKDBSA-N 2 0 325.453 -0.348 20 0 EBADRP C[C@@H]1[C@H]([NH2+]CCCS(=O)(=O)N(C)C)CCN1C(=O)CC[NH+](C)C ZINC001278293869 817737772 /nfs/dbraw/zinc/73/77/72/817737772.db2.gz PQOACTJWZKOYBN-ZIAGYGMSSA-N 2 0 348.513 -0.201 20 0 EBADRP C[C@@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001278416511 817758799 /nfs/dbraw/zinc/75/87/99/817758799.db2.gz NOFNRQCUCGLXRZ-CHWSQXEVSA-N 2 0 344.481 -0.790 20 0 EBADRP Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H](O)C2)cn1 ZINC001090818960 817776075 /nfs/dbraw/zinc/77/60/75/817776075.db2.gz YMBNVJCWZRJFJF-JKSUJKDBSA-N 2 0 335.452 -0.390 20 0 EBADRP C[NH+](C)CCCCC(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)C(C)(C)C1 ZINC001278684993 817793980 /nfs/dbraw/zinc/79/39/80/817793980.db2.gz PPNJAEKJKYWGDP-GFCCVEGCSA-N 2 0 341.456 -0.260 20 0 EBADRP Cc1noc(CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001278737580 817801438 /nfs/dbraw/zinc/80/14/38/817801438.db2.gz QDFIFMZCLTXKIS-ZIAGYGMSSA-N 2 0 339.440 -0.186 20 0 EBADRP CN(C[C@H](O)C[NH2+]CCc1cnn(C)c1)C(=O)C12CCC[NH+]1CCC2 ZINC001278778640 817824895 /nfs/dbraw/zinc/82/48/95/817824895.db2.gz AJFADFQDUSSNPH-MRXNPFEDSA-N 2 0 349.479 0.000 20 0 EBADRP CN(CCOCC[NH2+]CC(=O)N1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001279393884 817924235 /nfs/dbraw/zinc/92/42/35/817924235.db2.gz XHGKDEYRMUUHHT-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP O=C(NCC1CC([NH2+][C@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001091327568 817960213 /nfs/dbraw/zinc/96/02/13/817960213.db2.gz RVBKCHICCAEVRH-BPCQOVAHSA-N 2 0 334.420 -0.628 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001094219381 818180461 /nfs/dbraw/zinc/18/04/61/818180461.db2.gz IVGYZXOFMCPLJM-FRRDWIJNSA-N 2 0 336.440 -0.756 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCc1cn(C2C[NH+](C[C@@H]3CCOC3)C2)nn1 ZINC001094279077 818200180 /nfs/dbraw/zinc/20/01/80/818200180.db2.gz WRMZZEBDYLHRHI-BBRMVZONSA-N 2 0 348.451 -0.118 20 0 EBADRP CC[C@@H](C(=O)N1CCC(C)([NH2+]CCNS(C)(=O)=O)CC1)[NH+](C)C ZINC001281518582 818208077 /nfs/dbraw/zinc/20/80/77/818208077.db2.gz ROEHSUKGINSDEI-ZDUSSCGKSA-N 2 0 348.513 -0.154 20 0 EBADRP C[C@@H]([NH2+]CCN1C(=O)CCC1=O)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001282185780 818373245 /nfs/dbraw/zinc/37/32/45/818373245.db2.gz QZQHQVUTFSGVQM-OLZOCXBDSA-N 2 0 338.452 -0.040 20 0 EBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CCN1C(=O)CNC1=O ZINC001282495176 818440868 /nfs/dbraw/zinc/44/08/68/818440868.db2.gz RORBHXNOASXWSI-LBPRGKRZSA-N 2 0 325.413 -0.930 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CC(=O)N(C3CN(CCCO)C3)C2)C1 ZINC001094809556 818500640 /nfs/dbraw/zinc/50/06/40/818500640.db2.gz MNGOAYYSKSQSTR-UONOGXRCSA-N 2 0 338.452 -0.888 20 0 EBADRP CNC(=O)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001282927697 818534047 /nfs/dbraw/zinc/53/40/47/818534047.db2.gz HCMLMMGVDKZUCH-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001283938795 819036277 /nfs/dbraw/zinc/03/62/77/819036277.db2.gz JZJPCRVSOWDUSN-ZBFHGGJFSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001284079204 819089235 /nfs/dbraw/zinc/08/92/35/819089235.db2.gz FWVVHFLLOGYEEY-MJBXVCDLSA-N 2 0 326.441 -0.578 20 0 EBADRP NC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001098368192 819154756 /nfs/dbraw/zinc/15/47/56/819154756.db2.gz HIZKAHNSNOHKFM-HNNXBMFYSA-N 2 0 338.452 -0.901 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCC([N@H+](CCO)CC(N)=O)CC2)CC1 ZINC001098466634 819203947 /nfs/dbraw/zinc/20/39/47/819203947.db2.gz PSDYDACEUMLENM-UHFFFAOYSA-N 2 0 326.441 -0.901 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCC([N@H+](CCO)CCCO)CC2)CC1 ZINC001098466444 819204352 /nfs/dbraw/zinc/20/43/52/819204352.db2.gz FAJKXMIVYAEIOE-UHFFFAOYSA-N 2 0 327.469 -0.004 20 0 EBADRP CNC(=O)C[N@H+](CCO)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001098477595 819208038 /nfs/dbraw/zinc/20/80/38/819208038.db2.gz BBLMZRQFBVGDTJ-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@@H](C(=O)N1CCC([N@H+](CCO)CC(N)=O)CC1)[NH+](CC)CC ZINC001098476559 819208127 /nfs/dbraw/zinc/20/81/27/819208127.db2.gz MINKNNDFWUUTKM-HNNXBMFYSA-N 2 0 342.484 -0.123 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH+](CCO)CCCO)CC1 ZINC001098478979 819209249 /nfs/dbraw/zinc/20/92/49/819209249.db2.gz MWJNKMSKDBTSPG-GDBMZVCRSA-N 2 0 327.469 -0.148 20 0 EBADRP CC[C@@H](C(=O)N1CCC([N@H+](CCO)C[C@H](O)COC)CC1)[NH+](C)C ZINC001098479837 819209431 /nfs/dbraw/zinc/20/94/31/819209431.db2.gz BQWYOVCICRKZGX-HOTGVXAUSA-N 2 0 345.484 -0.381 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC([NH+](CCO)CCOCCO)CC1 ZINC001098524958 819230760 /nfs/dbraw/zinc/23/07/60/819230760.db2.gz WVCTYDDPQFCQSH-UHFFFAOYSA-N 2 0 345.484 -0.378 20 0 EBADRP C[C@@H](O)C[N@H+](CCO)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001098533048 819233751 /nfs/dbraw/zinc/23/37/51/819233751.db2.gz QERQZDMQFBMKDU-CABCVRRESA-N 2 0 327.469 -0.006 20 0 EBADRP C[C@@H](O)C[N@H+](CCO)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001098536355 819235558 /nfs/dbraw/zinc/23/55/58/819235558.db2.gz GOJPCNSEVXWQLG-CQSZACIVSA-N 2 0 325.453 -0.252 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CCC([N@H+](CCO)CC(N)=O)CC1 ZINC001098536608 819235782 /nfs/dbraw/zinc/23/57/82/819235782.db2.gz OQLSSZAXSWMJOT-UHFFFAOYSA-N 2 0 328.457 -0.511 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H](C[NH2+][C@@H]1CCC(=O)NC1=O)C(C)(C)C ZINC001284623822 819306532 /nfs/dbraw/zinc/30/65/32/819306532.db2.gz BKKJQPWXASIZQH-NEPJUHHUSA-N 2 0 326.441 -0.136 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098751198 819353678 /nfs/dbraw/zinc/35/36/78/819353678.db2.gz JJLVAIOWUORBKK-OAHLLOKOSA-N 2 0 338.456 -0.135 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H](n2cc(C[NH2+]C[C@H](C)O)nn2)C1 ZINC001098762544 819357365 /nfs/dbraw/zinc/35/73/65/819357365.db2.gz NOQXFURWQMCCTN-ZFWWWQNUSA-N 2 0 338.456 -0.136 20 0 EBADRP CN(CCOCC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001284870477 819382172 /nfs/dbraw/zinc/38/21/72/819382172.db2.gz QALGPMYBIBPBPP-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)cn1 ZINC001099871404 819804345 /nfs/dbraw/zinc/80/43/45/819804345.db2.gz CVNYPGOHJUTWHU-CVEARBPZSA-N 2 0 349.479 -0.002 20 0 EBADRP COCCOCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099872113 819808620 /nfs/dbraw/zinc/80/86/20/819808620.db2.gz PCNHFWLETMZHHC-GJZGRUSLSA-N 2 0 343.468 -0.315 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[NH+](CCOCCOC)C[C@@H]1O ZINC001099899245 819865226 /nfs/dbraw/zinc/86/52/26/819865226.db2.gz PBVTYVHEOCFQKG-CABCVRRESA-N 2 0 345.484 -0.069 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[NH+](CCOCCOC)C[C@@H]1O ZINC001099899246 819867159 /nfs/dbraw/zinc/86/71/59/819867159.db2.gz PBVTYVHEOCFQKG-GJZGRUSLSA-N 2 0 345.484 -0.069 20 0 EBADRP O=C(N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O)c1ccn2c[nH+]cc2c1 ZINC001099907327 819895275 /nfs/dbraw/zinc/89/52/75/819895275.db2.gz ULTXBJMAFSPYEZ-JKSUJKDBSA-N 2 0 348.403 -0.492 20 0 EBADRP Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971930 819975186 /nfs/dbraw/zinc/97/51/86/819975186.db2.gz OFWUTUJVOQAELB-JKSUJKDBSA-N 2 0 349.479 -0.144 20 0 EBADRP COCCOCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099972142 819976261 /nfs/dbraw/zinc/97/62/61/819976261.db2.gz RXHKURYQASGJSC-LSDHHAIUSA-N 2 0 343.468 -0.457 20 0 EBADRP CCCCOCC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074671 820165609 /nfs/dbraw/zinc/16/56/09/820165609.db2.gz QXFWQWUTSPPYLT-CVEARBPZSA-N 2 0 345.484 -0.067 20 0 EBADRP COCCOCC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001100075047 820167315 /nfs/dbraw/zinc/16/73/15/820167315.db2.gz XSOABMAHVDECOG-CABCVRRESA-N 2 0 341.452 -0.703 20 0 EBADRP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](CCn2cncn2)C[C@@H]1O ZINC001100080205 820176901 /nfs/dbraw/zinc/17/69/01/820176901.db2.gz FWNLFEHSEWLJLO-GJZGRUSLSA-N 2 0 338.456 -0.439 20 0 EBADRP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001100080206 820177157 /nfs/dbraw/zinc/17/71/57/820177157.db2.gz FWNLFEHSEWLJLO-HUUCEWRRSA-N 2 0 338.456 -0.439 20 0 EBADRP COCCOCC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100081385 820178878 /nfs/dbraw/zinc/17/88/78/820178878.db2.gz RGTXZYQUODRTAD-HZPDHXFCSA-N 2 0 345.484 -0.067 20 0 EBADRP O=C(CCC[NH+]1CCCC1)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100125347 820256716 /nfs/dbraw/zinc/25/67/16/820256716.db2.gz WNLQWVMAEZPDNF-JKSUJKDBSA-N 2 0 343.468 -0.577 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)Nc2cnccn2)C1 ZINC001100185488 820306942 /nfs/dbraw/zinc/30/69/42/820306942.db2.gz CHBWSZPURMICTJ-RUXDESIVSA-N 2 0 346.435 -0.006 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100319203 820355295 /nfs/dbraw/zinc/35/52/95/820355295.db2.gz BJNCAVOHBNHOLA-WXRRBKDZSA-N 2 0 339.440 -0.462 20 0 EBADRP C[NH+](C)C1(C(=O)NCC2CC([NH2+][C@H]3CCC(=O)NC3=O)C2)CCC1 ZINC001100405706 820405696 /nfs/dbraw/zinc/40/56/96/820405696.db2.gz JVAYDZZAWDETOO-BPCQOVAHSA-N 2 0 336.436 -0.240 20 0 EBADRP C[N@H+](CC(=O)NCC1CC([NH2+]CCN2CCNC2=O)C1)C1CCC1 ZINC001100410838 820408289 /nfs/dbraw/zinc/40/82/89/820408289.db2.gz PKXHFBFEXOCCTK-UHFFFAOYSA-N 2 0 337.468 -0.020 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100419275 820414129 /nfs/dbraw/zinc/41/41/29/820414129.db2.gz SNLRIQLJVOAWLG-WXRRBKDZSA-N 2 0 339.440 -0.460 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CCOCCO)C2)C1 ZINC001100605918 820484838 /nfs/dbraw/zinc/48/48/38/820484838.db2.gz ZWNCIRPFOVTQMY-UYSNPLJNSA-N 2 0 343.468 -0.411 20 0 EBADRP C[NH+](C)CCC(=O)NCC1CC([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001100638305 820495952 /nfs/dbraw/zinc/49/59/52/820495952.db2.gz FVVGMMORFDCSDJ-WLYUNCDWSA-N 2 0 340.468 -0.425 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1CC([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001100770901 820546795 /nfs/dbraw/zinc/54/67/95/820546795.db2.gz PGRYFKXFVDFUBC-UHFFFAOYSA-N 2 0 339.440 -0.636 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1CC([NH2+]CC(=O)N2CCOCC2)C1 ZINC001100769566 820546866 /nfs/dbraw/zinc/54/68/66/820546866.db2.gz PYHBQPFXDGFVQD-UHFFFAOYSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCC2CC([NH2+]CCOCCO)C2)CC1 ZINC001100804143 820557929 /nfs/dbraw/zinc/55/79/29/820557929.db2.gz JQSFFLUKHWQTFB-UHFFFAOYSA-N 2 0 343.468 -0.410 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100876233 820587618 /nfs/dbraw/zinc/58/76/18/820587618.db2.gz RALAUPDVASKTLG-UHFFFAOYSA-N 2 0 348.407 -0.560 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001100896948 820593149 /nfs/dbraw/zinc/59/31/49/820593149.db2.gz SMZXHHJKJHZKBQ-UHFFFAOYSA-N 2 0 338.456 -0.175 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001100904712 820595819 /nfs/dbraw/zinc/59/58/19/820595819.db2.gz CPPRNJCSYOKWLS-UNXYVOJBSA-N 2 0 327.429 -0.604 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100984297 820632560 /nfs/dbraw/zinc/63/25/60/820632560.db2.gz CQZRKNUARYWRFB-UHFFFAOYSA-N 2 0 346.497 -0.494 20 0 EBADRP CS(=O)(=O)NCC[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100984980 820633076 /nfs/dbraw/zinc/63/30/76/820633076.db2.gz WTZPIWSKAAKBIU-UHFFFAOYSA-N 2 0 332.470 -0.884 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100984364 820633138 /nfs/dbraw/zinc/63/31/38/820633138.db2.gz GZYATBSIXXIGAE-PNESKVBLSA-N 2 0 339.440 -0.589 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001101257538 820739495 /nfs/dbraw/zinc/73/94/95/820739495.db2.gz ZBHXXNXEGSQMMQ-WWGRRREGSA-N 2 0 328.432 -0.068 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H](N(C)C(=O)COCC[NH+](C)C)C1)[NH+](C)C ZINC001293683643 820809296 /nfs/dbraw/zinc/80/92/96/820809296.db2.gz BGUWIWVZBUWXHJ-HUUCEWRRSA-N 2 0 342.484 -0.036 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001294758148 820990590 /nfs/dbraw/zinc/99/05/90/820990590.db2.gz MKNFOAMHUMLWJM-CQSZACIVSA-N 2 0 328.457 -0.378 20 0 EBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001102051772 821014005 /nfs/dbraw/zinc/01/40/05/821014005.db2.gz MEPRJXMMBVCLDD-VXGBXAGGSA-N 2 0 339.440 -0.650 20 0 EBADRP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)NC(=O)COCC[NH+](C)C ZINC001295572813 821126754 /nfs/dbraw/zinc/12/67/54/821126754.db2.gz CWNHSPCWOJYKAX-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP COC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513314 821133968 /nfs/dbraw/zinc/13/39/68/821133968.db2.gz FHMNNFFSKCYVIZ-KFWWJZLASA-N 2 0 331.457 -0.744 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102600474 821170331 /nfs/dbraw/zinc/17/03/31/821170331.db2.gz HFBKCGZVXDSIAA-MGPQQGTHSA-N 2 0 338.452 -0.184 20 0 EBADRP C[C@@H]1C[N@H+](CCO)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001103250030 821279093 /nfs/dbraw/zinc/27/90/93/821279093.db2.gz YQFZKEDGGLKDOD-MYPHYYIGSA-N 2 0 337.464 -0.084 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103550376 821324309 /nfs/dbraw/zinc/32/43/09/821324309.db2.gz MPRCNVPVSKLJSL-CHWSQXEVSA-N 2 0 341.456 -0.403 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001105064309 821576465 /nfs/dbraw/zinc/57/64/65/821576465.db2.gz IWUPWOAHTKELBT-CHWSQXEVSA-N 2 0 341.456 -0.404 20 0 EBADRP CC(C)[C@@H](C(=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1)[NH+](C)C ZINC001105264460 821654150 /nfs/dbraw/zinc/65/41/50/821654150.db2.gz JLEIMJLGDMKAGU-HNNXBMFYSA-N 2 0 338.456 -0.280 20 0 EBADRP CC(C)[C@H](C(=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1)[NH+](C)C ZINC001105320786 821690741 /nfs/dbraw/zinc/69/07/41/821690741.db2.gz JLEIMJLGDMKAGU-OAHLLOKOSA-N 2 0 338.456 -0.280 20 0 EBADRP C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001105361084 821718538 /nfs/dbraw/zinc/71/85/38/821718538.db2.gz QIWTVQSGXDJNON-LBPRGKRZSA-N 2 0 334.424 -0.772 20 0 EBADRP Cc1nccn1CC(=O)N(C)C[C@@H]1CCN1[C@@H]1CCC(=O)NC1=O ZINC001316608195 821813303 /nfs/dbraw/zinc/81/33/03/821813303.db2.gz FUGHSHJDLOYPPQ-QWHCGFSZSA-N 2 0 333.392 -0.471 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001316828376 821872366 /nfs/dbraw/zinc/87/23/66/821872366.db2.gz CLQBANVFMFSYJE-STQMWFEESA-N 2 0 341.456 -0.118 20 0 EBADRP C[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CC(=O)NC(N)=O ZINC001316853361 821888635 /nfs/dbraw/zinc/88/86/35/821888635.db2.gz GNJMSDRWKUTSLC-CHWSQXEVSA-N 2 0 339.440 -0.364 20 0 EBADRP CCN(CCCNC(=O)[C@H]1CN(C)CCO1)Cc1cnnn1CC ZINC001316887480 821905333 /nfs/dbraw/zinc/90/53/33/821905333.db2.gz HUHVWPSWJBLCRX-OAHLLOKOSA-N 2 0 338.456 -0.043 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCCCN2CC[NH+](CCCO)CC2)C1 ZINC001316961922 821943321 /nfs/dbraw/zinc/94/33/21/821943321.db2.gz GAIGFSNEYLOWAH-INIZCTEOSA-N 2 0 326.485 -0.166 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCNS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001317078730 821995889 /nfs/dbraw/zinc/99/58/89/821995889.db2.gz RJFMQJOYVQJUKW-FDYHWXHSSA-N 2 0 332.470 -0.887 20 0 EBADRP Cc1nccn1CC(=O)N[C@H]1C[C@@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001317125950 822011105 /nfs/dbraw/zinc/01/11/05/822011105.db2.gz GHVCGEQNGDIXDF-BETUJISGSA-N 2 0 328.438 -0.137 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001105945797 822016071 /nfs/dbraw/zinc/01/60/71/822016071.db2.gz DWKMXUTYMYCSQL-UPJWGTAASA-N 2 0 339.440 -0.780 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC1 ZINC001317304657 822076671 /nfs/dbraw/zinc/07/66/71/822076671.db2.gz DKQZFCHDTGYSHU-ZDUSSCGKSA-N 2 0 336.436 -0.332 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@H](C[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001317335604 822086351 /nfs/dbraw/zinc/08/63/51/822086351.db2.gz RPJAGGHVJZYCHM-CQSZACIVSA-N 2 0 346.497 -0.588 20 0 EBADRP CC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)CCN1C(=O)CCC1=O ZINC001317487285 822129525 /nfs/dbraw/zinc/12/95/25/822129525.db2.gz JLUWHUFKFNPMNK-AWEZNQCLSA-N 2 0 338.452 -0.085 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCN1C(=O)CCC1=O)C1CC1 ZINC001317548872 822153107 /nfs/dbraw/zinc/15/31/07/822153107.db2.gz DPSARRRWVUXHLI-AWEZNQCLSA-N 2 0 336.436 -0.190 20 0 EBADRP CN(CC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001317587465 822166394 /nfs/dbraw/zinc/16/63/94/822166394.db2.gz KUBRDLZTCKDXHE-DZGCQCFKSA-N 2 0 343.493 -0.189 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001317589292 822166549 /nfs/dbraw/zinc/16/65/49/822166549.db2.gz OYLAQJGMSQLZFF-QWHCGFSZSA-N 2 0 339.440 -0.684 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C1)[NH+](C)C ZINC001106312348 822245201 /nfs/dbraw/zinc/24/52/01/822245201.db2.gz CXOFSJWPSWTHDX-MGPQQGTHSA-N 2 0 348.513 -0.440 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C[NH2+]CC(N)=O ZINC001106455333 822272633 /nfs/dbraw/zinc/27/26/33/822272633.db2.gz NNRSKOSULOZNEL-LZLPTKFFSA-N 2 0 336.436 -0.981 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cccc(C[NH2+]CCO)n2)C1 ZINC001128107093 828416387 /nfs/dbraw/zinc/41/63/87/828416387.db2.gz MBTCRPPMDZYRFZ-HOTGVXAUSA-N 2 0 347.463 -0.047 20 0 EBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001106623249 822303200 /nfs/dbraw/zinc/30/32/00/822303200.db2.gz OVXWYQYSNOMSBC-IJLUTSLNSA-N 2 0 327.429 -0.794 20 0 EBADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C[NH2+]CC(N)=O ZINC001106751351 822320314 /nfs/dbraw/zinc/32/03/14/822320314.db2.gz GJJFYISAEMSUFV-CHWSQXEVSA-N 2 0 336.440 -0.772 20 0 EBADRP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCN1C(=O)CNC1=O ZINC001318593826 822341111 /nfs/dbraw/zinc/34/11/11/822341111.db2.gz CGYKFKIBPIXMEU-CHWSQXEVSA-N 2 0 339.440 -0.636 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001106878253 822347139 /nfs/dbraw/zinc/34/71/39/822347139.db2.gz JIMKUFIRIGOKMT-RBSFLKMASA-N 2 0 340.468 -0.473 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001106878375 822347264 /nfs/dbraw/zinc/34/72/64/822347264.db2.gz OBFRXRNZIDJTOS-MGPQQGTHSA-N 2 0 326.441 -0.863 20 0 EBADRP C[NH+](C)Cc1ccsc1C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001128551427 828473878 /nfs/dbraw/zinc/47/38/78/828473878.db2.gz CMGIUMIQHFZMQF-LLVKDONJSA-N 2 0 338.433 -0.066 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001128774159 828524393 /nfs/dbraw/zinc/52/43/93/828524393.db2.gz NCQMPMOHRWUUMS-CQSZACIVSA-N 2 0 326.441 -0.575 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001128774227 828524551 /nfs/dbraw/zinc/52/45/51/828524551.db2.gz PLUKMFOWDSPVOC-HNNXBMFYSA-N 2 0 340.468 -0.138 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001128773801 828524689 /nfs/dbraw/zinc/52/46/89/828524689.db2.gz DYEBEICPXDXRHE-LSDHHAIUSA-N 2 0 340.468 -0.138 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCNS(=O)(=O)CC ZINC001128779103 828525765 /nfs/dbraw/zinc/52/57/65/828525765.db2.gz NWNVYOAOUBIDAB-AWEZNQCLSA-N 2 0 348.513 -0.104 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001128784938 828526632 /nfs/dbraw/zinc/52/66/32/828526632.db2.gz PHIZTZJNMAKZQW-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCC(=O)NCc1cn(C2C[NH+](C[C@H]3CCOC3)C2)nn1 ZINC001107202621 823796132 /nfs/dbraw/zinc/79/61/32/823796132.db2.gz NXYMJXBUIGUICJ-CYBMUJFWSA-N 2 0 336.440 -0.261 20 0 EBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001129334413 828599836 /nfs/dbraw/zinc/59/98/36/828599836.db2.gz MEMLADXNHIMILF-JKSUJKDBSA-N 2 0 337.468 -0.072 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129341450 828601617 /nfs/dbraw/zinc/60/16/17/828601617.db2.gz VCVBSJOYLGIEJK-CYBMUJFWSA-N 2 0 341.456 -0.484 20 0 EBADRP COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129356058 828603727 /nfs/dbraw/zinc/60/37/27/828603727.db2.gz AWCPCHPDEZOLQQ-UONOGXRCSA-N 2 0 331.457 -0.411 20 0 EBADRP COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129356060 828604808 /nfs/dbraw/zinc/60/48/08/828604808.db2.gz AWCPCHPDEZOLQQ-ZIAGYGMSSA-N 2 0 331.457 -0.411 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129358760 828604828 /nfs/dbraw/zinc/60/48/28/828604828.db2.gz WYFDJCBCWQLIEB-UHFFFAOYSA-N 2 0 334.486 -0.542 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1n1ccnn1 ZINC001129385122 828610101 /nfs/dbraw/zinc/61/01/01/828610101.db2.gz IZGXFBVUZMKHET-CABCVRRESA-N 2 0 336.440 -0.392 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001129421887 828615550 /nfs/dbraw/zinc/61/55/50/828615550.db2.gz DNRYBNNCXPOEGX-CYBMUJFWSA-N 2 0 339.440 -0.493 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O)C1CC1 ZINC001129435497 828618351 /nfs/dbraw/zinc/61/83/51/828618351.db2.gz GYJXGYFGLHKNQJ-DZGCQCFKSA-N 2 0 326.441 -0.984 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1)C1CC1 ZINC001129436475 828618985 /nfs/dbraw/zinc/61/89/85/828618985.db2.gz PLMQUYKUKSNNOX-ZDUSSCGKSA-N 2 0 325.413 -0.979 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 ZINC001129444846 828619749 /nfs/dbraw/zinc/61/97/49/828619749.db2.gz ZBHFSYMACYYTCF-GXTWGEPZSA-N 2 0 346.497 -0.686 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129535094 828632234 /nfs/dbraw/zinc/63/22/34/828632234.db2.gz IZUXWWCMUFHLTR-GFCCVEGCSA-N 2 0 341.456 -0.201 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001129842532 828680269 /nfs/dbraw/zinc/68/02/69/828680269.db2.gz ZLQMSRNIZMHBSK-LBPRGKRZSA-N 2 0 325.413 -0.882 20 0 EBADRP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129854889 828681390 /nfs/dbraw/zinc/68/13/90/828681390.db2.gz BZYKMWIAVXBRTB-TUVASFSCSA-N 2 0 336.440 -0.394 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001129856569 828682667 /nfs/dbraw/zinc/68/26/67/828682667.db2.gz UMCMTDQDLWSQRX-CABCVRRESA-N 2 0 340.468 -0.138 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCO[C@@H](C)C1)[NH+](C)C ZINC001129950185 828699505 /nfs/dbraw/zinc/69/95/05/828699505.db2.gz NZXQBQNEEUMOSD-ZFWWWQNUSA-N 2 0 328.457 -0.474 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001111277585 825043636 /nfs/dbraw/zinc/04/36/36/825043636.db2.gz YQZMEIFREAACFH-KFWWJZLASA-N 2 0 329.441 -0.705 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@H](C)OC)[C@@H](n2ccnn2)C1 ZINC001130081493 828729978 /nfs/dbraw/zinc/72/99/78/828729978.db2.gz RNHRSFOBJYNPTI-ZNMIVQPWSA-N 2 0 338.456 -0.004 20 0 EBADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130125541 828737229 /nfs/dbraw/zinc/73/72/29/828737229.db2.gz SLOVVGFRNOPOPE-ZNMIVQPWSA-N 2 0 336.440 -0.250 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130188984 828751706 /nfs/dbraw/zinc/75/17/06/828751706.db2.gz LFHKIYMTKKBTQC-OLZOCXBDSA-N 2 0 332.470 -0.742 20 0 EBADRP O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130188804 828752355 /nfs/dbraw/zinc/75/23/55/828752355.db2.gz KBLZKNJGTXXOLL-STQMWFEESA-N 2 0 337.424 -0.739 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001179585470 832991174 /nfs/dbraw/zinc/99/11/74/832991174.db2.gz IOQZIRQKNVRIBJ-CHWSQXEVSA-N 2 0 341.456 -0.355 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1)C(=O)N(C)C ZINC001130231713 828761313 /nfs/dbraw/zinc/76/13/13/828761313.db2.gz DIROWPCFIRUWQB-CYBMUJFWSA-N 2 0 328.457 -0.473 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCS(C)(=O)=O ZINC001130230912 828761525 /nfs/dbraw/zinc/76/15/25/828761525.db2.gz ZNAHLYOYOIJQRJ-UHFFFAOYSA-N 2 0 335.470 -0.905 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001130298198 828776497 /nfs/dbraw/zinc/77/64/97/828776497.db2.gz YBWLMARMMKUEJX-GFCCVEGCSA-N 2 0 325.413 -0.835 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001130303337 828776612 /nfs/dbraw/zinc/77/66/12/828776612.db2.gz AGRKORJVDJUDMJ-UONOGXRCSA-N 2 0 326.441 -0.671 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001130296914 828777228 /nfs/dbraw/zinc/77/72/28/828777228.db2.gz FBEZGXIEFUYZQN-UONOGXRCSA-N 2 0 326.441 -0.528 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C)n(C)n1 ZINC001130306285 828777835 /nfs/dbraw/zinc/77/78/35/828777835.db2.gz USFMFVVJSJDGHQ-CYBMUJFWSA-N 2 0 336.440 -0.143 20 0 EBADRP C[NH+](C)CCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(N)=O)C1 ZINC001112563834 825457009 /nfs/dbraw/zinc/45/70/09/825457009.db2.gz PSJLSFKQGIMUCF-BBRMVZONSA-N 2 0 326.441 -0.732 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001130426987 828832166 /nfs/dbraw/zinc/83/21/66/828832166.db2.gz FTKOZORVDDLEEL-UHFFFAOYSA-N 2 0 327.429 -0.636 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001179744576 833006322 /nfs/dbraw/zinc/00/63/22/833006322.db2.gz WSUMEODGNSSQCI-WOPDTQHZSA-N 2 0 327.429 -0.509 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001114357855 826214038 /nfs/dbraw/zinc/21/40/38/826214038.db2.gz KZSZRPFFWPDPMY-CTASWTNQSA-N 2 0 340.443 -0.055 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]21)C1CC1 ZINC001114404693 826235696 /nfs/dbraw/zinc/23/56/96/826235696.db2.gz FXLUFMHZKLNQHZ-OSRSDYAFSA-N 2 0 348.447 -0.478 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]21)C1CC1 ZINC001114405693 826236287 /nfs/dbraw/zinc/23/62/87/826236287.db2.gz YIJLWAGNIFBBPG-YQFWSFKMSA-N 2 0 334.464 -0.005 20 0 EBADRP C[NH+](C)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](CCN4CCNC4=O)C[C@H]32)CCC1 ZINC001114406465 826236637 /nfs/dbraw/zinc/23/66/37/826236637.db2.gz DCBHMCBNMBIWQK-WDNDVIMCSA-N 2 0 335.452 -0.458 20 0 EBADRP C[NH+](C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21)C1CC1 ZINC001114410369 826236993 /nfs/dbraw/zinc/23/69/93/826236993.db2.gz URZVVUFDBOBEQS-YJNKXOJESA-N 2 0 335.452 -0.602 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001179925564 833026696 /nfs/dbraw/zinc/02/66/96/833026696.db2.gz RDBXPJKAICZUEW-MJBXVCDLSA-N 2 0 346.497 -0.544 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCNC(=O)C2CC2)CCN1C(=O)COCC[NH+](C)C ZINC001179934324 833027663 /nfs/dbraw/zinc/02/76/63/833027663.db2.gz YKCCDJFFHCBVTF-ZFWWWQNUSA-N 2 0 340.468 -0.330 20 0 EBADRP CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C ZINC001179934192 833027740 /nfs/dbraw/zinc/02/77/40/833027740.db2.gz VJTSRYSLALBBAC-KBPBESRZSA-N 2 0 328.457 -0.332 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)[C@@H]1C ZINC001179976014 833030049 /nfs/dbraw/zinc/03/00/49/833030049.db2.gz FQCVQMKMEANMOA-STQMWFEESA-N 2 0 338.456 -0.081 20 0 EBADRP C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)CCCC[NH+](C)C ZINC001179967426 833030485 /nfs/dbraw/zinc/03/04/85/833030485.db2.gz AXOJALIBHZEPDO-STQMWFEESA-N 2 0 338.456 -0.081 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001179976856 833031091 /nfs/dbraw/zinc/03/10/91/833031091.db2.gz ZVZZSAFCFNOSKR-RYUDHWBXSA-N 2 0 327.429 -0.508 20 0 EBADRP Cn1nnnc1C[NH2+]CCCCCCNC(=O)COCC[NH+](C)C ZINC001180060990 833038947 /nfs/dbraw/zinc/03/89/47/833038947.db2.gz XANCGUCCZSOGPL-UHFFFAOYSA-N 2 0 341.460 -0.446 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CCNC(=O)C4CC4)C[C@H]32)CC1 ZINC001114769173 826338726 /nfs/dbraw/zinc/33/87/26/826338726.db2.gz CALLYMUKCTYMDX-ZSHCYNCHSA-N 2 0 334.464 -0.099 20 0 EBADRP C[C@H](COCC(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)[NH+]1CCCC1 ZINC001114853082 826356576 /nfs/dbraw/zinc/35/65/76/826356576.db2.gz XSFJYPXGLDLGNQ-AIANPOQGSA-N 2 0 325.453 -0.084 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCCS(C)(=O)=O)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001180138941 833046480 /nfs/dbraw/zinc/04/64/80/833046480.db2.gz SAFLKYRLUXGNOY-IHRRRGAJSA-N 2 0 331.482 -0.048 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001180204661 833055280 /nfs/dbraw/zinc/05/52/80/833055280.db2.gz YEJKVPLTYLOCEU-STQMWFEESA-N 2 0 339.440 -0.364 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H]1C ZINC001180226649 833059715 /nfs/dbraw/zinc/05/97/15/833059715.db2.gz FCKNXORHGPTTNN-STQMWFEESA-N 2 0 339.440 -0.543 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCOCCO)C[C@H]21 ZINC001115300323 826502359 /nfs/dbraw/zinc/50/23/59/826502359.db2.gz PPAICBNEZRZFMC-XUWVNRHRSA-N 2 0 325.453 -0.084 20 0 EBADRP C[N@H+](C1CN(C(=O)CC[NH+]2CCC(C(N)=O)CC2)C1)[C@H]1CCOC1 ZINC001180610555 833096210 /nfs/dbraw/zinc/09/62/10/833096210.db2.gz LEJZTMNDWNTJDK-AWEZNQCLSA-N 2 0 338.452 -0.495 20 0 EBADRP CC[C@]1(O)CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001117858686 826812205 /nfs/dbraw/zinc/81/22/05/826812205.db2.gz PQCSXBKQKDCGPR-INIZCTEOSA-N 2 0 328.457 -0.688 20 0 EBADRP O=C(NCCC[NH+]1CCC(O)CC1)C1(n2cccn2)CC[NH2+]CC1 ZINC001118218172 826878807 /nfs/dbraw/zinc/87/88/07/826878807.db2.gz CFVWTUMFCOZWEI-UHFFFAOYSA-N 2 0 335.452 -0.075 20 0 EBADRP C[NH+]1CCN(CCCNC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC001118222387 826879433 /nfs/dbraw/zinc/87/94/33/826879433.db2.gz ZMQFVSFLPVUTCI-UHFFFAOYSA-N 2 0 334.468 -0.285 20 0 EBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCC2C[NH2+]C2)CC1 ZINC001118866134 827011046 /nfs/dbraw/zinc/01/10/46/827011046.db2.gz CGGUXGKUZVHJEP-UHFFFAOYSA-N 2 0 338.452 -0.575 20 0 EBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)CC2)CC1 ZINC001118975281 827039167 /nfs/dbraw/zinc/03/91/67/827039167.db2.gz HSKDVYBAJBQGPM-ZBFHGGJFSA-N 2 0 349.479 -0.955 20 0 EBADRP C[NH+](C)C1CCN(CC[NH2+]C[C@@H](O)CC2(O)CCOCC2)CC1 ZINC001119067701 827055231 /nfs/dbraw/zinc/05/52/31/827055231.db2.gz MSBPPIOTWTWECA-INIZCTEOSA-N 2 0 329.485 -0.106 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC001119295203 827098412 /nfs/dbraw/zinc/09/84/12/827098412.db2.gz SNCDUBZWGHRTAF-NWANDNLSSA-N 2 0 340.468 -0.276 20 0 EBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001119704101 827135831 /nfs/dbraw/zinc/13/58/31/827135831.db2.gz ZNGZYCHCYHQIPO-WWGRRREGSA-N 2 0 326.441 -0.903 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC001120515858 827238834 /nfs/dbraw/zinc/23/88/34/827238834.db2.gz VCAXADNNKGOORT-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCNCC[NH2+]CC2)C[C@H](C)O1 ZINC001120567177 827246264 /nfs/dbraw/zinc/24/62/64/827246264.db2.gz WZQJYDFYBRYFQH-GASCZTMLSA-N 2 0 327.473 -0.310 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001181651399 833170728 /nfs/dbraw/zinc/17/07/28/833170728.db2.gz BUEUMDZJOYXTOD-ZIAGYGMSSA-N 2 0 346.497 -0.400 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2cnccn2)C1 ZINC001181652077 833170985 /nfs/dbraw/zinc/17/09/85/833170985.db2.gz IJJHIPRLRICWGX-CHWSQXEVSA-N 2 0 332.408 -0.300 20 0 EBADRP CC(C)(O)[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001121927279 827483744 /nfs/dbraw/zinc/48/37/44/827483744.db2.gz CZZVIJDCLABTGL-OAHLLOKOSA-N 3 0 335.452 -0.192 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NCCCN1CC[NH+](C)CC1 ZINC001122004863 827502012 /nfs/dbraw/zinc/50/20/12/827502012.db2.gz CJZMBDNBPHYKDC-HNNXBMFYSA-N 2 0 327.473 -0.770 20 0 EBADRP COC[C@@H](O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001122178137 827537652 /nfs/dbraw/zinc/53/76/52/827537652.db2.gz WRJSQETZLGLECL-BJOWLINFSA-N 2 0 325.453 -0.038 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC3(C2)CC([NH2+]CCOCCO)C3)C1 ZINC001122177946 827538096 /nfs/dbraw/zinc/53/80/96/827538096.db2.gz OOOMNMWCNIAQSG-HOUHCIJLSA-N 2 0 325.453 -0.036 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC001122185855 827540560 /nfs/dbraw/zinc/54/05/60/827540560.db2.gz BXYQUNIQUYKALO-FBVPLBQTSA-N 2 0 338.452 -0.543 20 0 EBADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)N1CC[NH+](C)CC1 ZINC001123885318 827734571 /nfs/dbraw/zinc/73/45/71/827734571.db2.gz FEVLGVBKPLLLDB-INIZCTEOSA-N 3 0 342.532 -0.243 20 0 EBADRP Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)[C@@H]3CCC[N@@H+]3C)C2=O)n1 ZINC001124866377 827969793 /nfs/dbraw/zinc/96/97/93/827969793.db2.gz BHRBNKYVOFMQHJ-OLZOCXBDSA-N 2 0 334.424 -0.675 20 0 EBADRP C[NH+](C)C1(C(=O)N2CC[C@@H]([NH2+]C[C@H](O)Cn3cccn3)C2)CCC1 ZINC001183240694 833284517 /nfs/dbraw/zinc/28/45/17/833284517.db2.gz PPUKODVZLNZGBD-CABCVRRESA-N 2 0 335.452 -0.081 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001183268738 833285707 /nfs/dbraw/zinc/28/57/07/833285707.db2.gz WBGOJDBKQPWZFP-CVEARBPZSA-N 2 0 340.468 -0.330 20 0 EBADRP C[N@H+](CC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1)C1CCC1 ZINC001183289077 833286052 /nfs/dbraw/zinc/28/60/52/833286052.db2.gz SCKZEUCNVIROKL-GDBMZVCRSA-N 2 0 335.452 -0.081 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001183289378 833286119 /nfs/dbraw/zinc/28/61/19/833286119.db2.gz VJZNPRXSBJSJAE-CYBMUJFWSA-N 2 0 346.497 -0.400 20 0 EBADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183435921 833290442 /nfs/dbraw/zinc/29/04/42/833290442.db2.gz HYNCCEDOJWCGKY-PMPSAXMXSA-N 2 0 345.484 -0.213 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1)[NH+](C)C ZINC001183582503 833296324 /nfs/dbraw/zinc/29/63/24/833296324.db2.gz ZTFLWZBFVNEHJO-QLFBSQMISA-N 2 0 340.468 -0.188 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001127082841 828249184 /nfs/dbraw/zinc/24/91/84/828249184.db2.gz ZXWHCYKQCNVUQN-AWEZNQCLSA-N 2 0 348.513 -0.154 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127082435 828249272 /nfs/dbraw/zinc/24/92/72/828249272.db2.gz QQPWUIJWKHGLAD-ZDUSSCGKSA-N 2 0 334.486 -0.496 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCOCC1 ZINC001127255354 828268443 /nfs/dbraw/zinc/26/84/43/828268443.db2.gz IVQQPJUGBJRRAM-HUUCEWRRSA-N 2 0 338.452 -0.575 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127256653 828269966 /nfs/dbraw/zinc/26/99/66/828269966.db2.gz QIOQWBULAUKQJR-LSDHHAIUSA-N 2 0 340.468 -0.281 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001127327662 828279055 /nfs/dbraw/zinc/27/90/55/828279055.db2.gz SXRXJEIOYPORMY-LBPRGKRZSA-N 2 0 341.456 -0.199 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127473628 828297314 /nfs/dbraw/zinc/29/73/14/828297314.db2.gz AWGZPHVLMDKBOE-CYBMUJFWSA-N 2 0 339.440 -0.730 20 0 EBADRP O=C(NCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001127480450 828298070 /nfs/dbraw/zinc/29/80/70/828298070.db2.gz KARVTZGNKYTRGL-UKRRQHHQSA-N 2 0 343.493 -0.141 20 0 EBADRP O=C(NCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001127481056 828298232 /nfs/dbraw/zinc/29/82/32/828298232.db2.gz ODWJCEYQGNCMFH-ZFWWWQNUSA-N 2 0 343.493 -0.141 20 0 EBADRP COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571017 828303302 /nfs/dbraw/zinc/30/33/02/828303302.db2.gz KWCCJXISYIBDGA-OAGGEKHMSA-N 2 0 343.468 -0.554 20 0 EBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127576820 828304680 /nfs/dbraw/zinc/30/46/80/828304680.db2.gz XYBDNBPROZPHPD-UHFFFAOYSA-N 2 0 338.456 -0.368 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)CC[N@@H+]1C ZINC001127644294 828309355 /nfs/dbraw/zinc/30/93/55/828309355.db2.gz YRVTZJYEYSGXHX-BPLDGKMQSA-N 2 0 348.451 -0.429 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC)CC[N@@H+]1C ZINC001127706167 828316945 /nfs/dbraw/zinc/31/69/45/828316945.db2.gz JJAKKDQSILUNCJ-SDDRHHMPSA-N 2 0 327.429 -0.733 20 0 EBADRP CCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127777705 828324252 /nfs/dbraw/zinc/32/42/52/828324252.db2.gz BGIZSRIQZJSPPX-ZIAGYGMSSA-N 2 0 326.441 -0.528 20 0 EBADRP COc1nccc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001127777675 828325567 /nfs/dbraw/zinc/32/55/67/828325567.db2.gz BAWLUQKZXGDXNY-KGLIPLIRSA-N 2 0 335.408 -0.446 20 0 EBADRP COc1nccc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001127777674 828326285 /nfs/dbraw/zinc/32/62/85/828326285.db2.gz BAWLUQKZXGDXNY-KBPBESRZSA-N 2 0 335.408 -0.446 20 0 EBADRP Cc1nnsc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127785194 828329710 /nfs/dbraw/zinc/32/97/10/828329710.db2.gz GLEYTAKMNUVPIQ-NEPJUHHUSA-N 2 0 325.438 -0.084 20 0 EBADRP CC(C)(C)CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127784982 828330158 /nfs/dbraw/zinc/33/01/58/828330158.db2.gz CUGRVABMXPLJKC-UONOGXRCSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)CCC(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCO)O2)n[nH]1 ZINC001130805158 828943648 /nfs/dbraw/zinc/94/36/48/828943648.db2.gz VSGGLDGCJGPVLF-NWDGAFQWSA-N 2 0 340.428 -0.825 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001130809540 828945603 /nfs/dbraw/zinc/94/56/03/828945603.db2.gz DURPMJJOMBRCLM-CQSZACIVSA-N 2 0 338.452 -0.432 20 0 EBADRP O=C(C[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1)NC[C@@H]1CCOC1 ZINC001130874604 828985694 /nfs/dbraw/zinc/98/56/94/828985694.db2.gz GNVPVOUFHDRKNL-ZDUSSCGKSA-N 2 0 345.403 -0.194 20 0 EBADRP O=C(NCC[NH2+]C[C@@H](O)Cn1cccn1)c1ccn2c[nH+]cc2c1 ZINC001130874858 828985972 /nfs/dbraw/zinc/98/59/72/828985972.db2.gz QSXHRCHVRBQDCX-OAHLLOKOSA-N 2 0 328.376 -0.089 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1 ZINC001131100960 829042833 /nfs/dbraw/zinc/04/28/33/829042833.db2.gz FJRDVAGBYXMLLL-CHWSQXEVSA-N 2 0 336.440 -0.869 20 0 EBADRP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1cncn1C ZINC001131121118 829047365 /nfs/dbraw/zinc/04/73/65/829047365.db2.gz NGXXMGBFSWFQTN-RRFJBIMHSA-N 2 0 335.452 -0.098 20 0 EBADRP Cn1cncc1[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CCCO ZINC001131121011 829048108 /nfs/dbraw/zinc/04/81/08/829048108.db2.gz INSDLZRFFKZACN-HUUCEWRRSA-N 2 0 335.452 -0.218 20 0 EBADRP O=C(NCC[NH2+][C@@H]1CCCNC1=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001131196656 829069553 /nfs/dbraw/zinc/06/95/53/829069553.db2.gz QBUCPWJEXRIXRW-CYBMUJFWSA-N 2 0 328.376 -0.135 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C(=O)NC(N)=O ZINC001131196505 829070081 /nfs/dbraw/zinc/07/00/81/829070081.db2.gz IJROPANJBZGFRZ-SNVBAGLBSA-N 2 0 345.363 -0.830 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001185650873 833365103 /nfs/dbraw/zinc/36/51/03/833365103.db2.gz QDGRWKXVNADDHQ-CHWSQXEVSA-N 2 0 332.470 -0.790 20 0 EBADRP C[C@H]1CN(C(=O)COCC[NH+](C)C)CC[C@@H]1C[NH2+]CCOCCO ZINC001185504800 833360400 /nfs/dbraw/zinc/36/04/00/833360400.db2.gz WVJLYLWBGAZNRB-JKSUJKDBSA-N 2 0 345.484 -0.352 20 0 EBADRP CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001185505289 833360783 /nfs/dbraw/zinc/36/07/83/833360783.db2.gz ZZPKBKZQHZWGOJ-CABCVRRESA-N 2 0 342.484 -0.225 20 0 EBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cccc(N2CCCNC(=O)C2)n1 ZINC001185614248 833362937 /nfs/dbraw/zinc/36/29/37/833362937.db2.gz ZJMAWDMIDNINLX-UHFFFAOYSA-N 2 0 347.423 -0.518 20 0 EBADRP O=C(C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1)NC1CCOCC1 ZINC001131370124 829116715 /nfs/dbraw/zinc/11/67/15/829116715.db2.gz DYZDBSFLRDYCQO-UHFFFAOYSA-N 2 0 345.403 -0.051 20 0 EBADRP CN(CC[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1)S(C)(=O)=O ZINC001131372343 829117393 /nfs/dbraw/zinc/11/73/93/829117393.db2.gz BPKTWKJDAIAURU-UHFFFAOYSA-N 2 0 339.421 -0.455 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131374448 829118340 /nfs/dbraw/zinc/11/83/40/829118340.db2.gz AQSREVNWONLZJD-HNNXBMFYSA-N 2 0 336.392 -0.322 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131375365 829118380 /nfs/dbraw/zinc/11/83/80/829118380.db2.gz ZRLQDFBZXXIBNA-JTQLQIEISA-N 2 0 332.364 -0.502 20 0 EBADRP O=C(NCC[NH2+]CCCN1C(=O)CNC1=O)c1ccc2c[nH+]cn2c1 ZINC001131375361 829118865 /nfs/dbraw/zinc/11/88/65/829118865.db2.gz ZLCROFXNNOTQOL-UHFFFAOYSA-N 2 0 344.375 -0.404 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1)C(=O)NC(N)=O ZINC001185676109 833366567 /nfs/dbraw/zinc/36/65/67/833366567.db2.gz LQGVNHVEGOWACD-VXGBXAGGSA-N 2 0 339.440 -0.508 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001185706666 833367975 /nfs/dbraw/zinc/36/79/75/833367975.db2.gz QRBJLJGVHUAHNQ-UPJWGTAASA-N 2 0 341.456 -0.249 20 0 EBADRP CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1=O ZINC001131522151 829153611 /nfs/dbraw/zinc/15/36/11/829153611.db2.gz UPTRAMPKNVAUPV-CWVKQELPSA-N 2 0 336.436 -0.824 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1)[NH+](C)C ZINC001185716586 833368478 /nfs/dbraw/zinc/36/84/78/833368478.db2.gz ZTFLWZBFVNEHJO-KFWWJZLASA-N 2 0 340.468 -0.188 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790231 829218228 /nfs/dbraw/zinc/21/82/28/829218228.db2.gz JCYJQVREIDOHDX-AWEZNQCLSA-N 2 0 339.440 -0.588 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)CC[N@H+](C)C1CCCCC1)C(=O)NC(N)=O ZINC001131822131 829228895 /nfs/dbraw/zinc/22/88/95/829228895.db2.gz JSABSMUXJSUSNI-LBPRGKRZSA-N 2 0 341.456 -0.070 20 0 EBADRP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H](C[NH+]3CCCC3)C2)C1 ZINC001186106939 833389254 /nfs/dbraw/zinc/38/92/54/833389254.db2.gz KESFLHFURDPNBY-GJZGRUSLSA-N 2 0 339.436 -0.196 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001186234076 833393161 /nfs/dbraw/zinc/39/31/61/833393161.db2.gz GTZGWYHAUGUGDG-TZMCWYRMSA-N 2 0 336.440 -0.617 20 0 EBADRP CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211093650 837387085 /nfs/dbraw/zinc/38/70/85/837387085.db2.gz YGGUDZJXMGZYEU-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186311938 833396699 /nfs/dbraw/zinc/39/66/99/833396699.db2.gz XVNCBEOXOZNGTK-KGLIPLIRSA-N 2 0 338.452 -0.589 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]CCCNS(=O)(=O)CC)C1 ZINC001186486751 833403434 /nfs/dbraw/zinc/40/34/34/833403434.db2.gz DHHSKUNANWBHLB-CQSZACIVSA-N 2 0 348.513 -0.152 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001186452377 833402228 /nfs/dbraw/zinc/40/22/28/833402228.db2.gz OCGDGWDBGLVJIJ-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCCC(=O)N1C[C@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186464930 833402735 /nfs/dbraw/zinc/40/27/35/833402735.db2.gz SCKHYUJAACEZDN-AWEZNQCLSA-N 2 0 340.468 -0.342 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001186497129 833403394 /nfs/dbraw/zinc/40/33/94/833403394.db2.gz XSQMKLTYADVEOM-VXGBXAGGSA-N 2 0 327.429 -0.637 20 0 EBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848313 829533398 /nfs/dbraw/zinc/53/33/98/829533398.db2.gz DUDVAQUMLMGCDF-AWEZNQCLSA-N 2 0 328.457 -0.426 20 0 EBADRP CCCC[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C(N)=O ZINC001132848928 829534398 /nfs/dbraw/zinc/53/43/98/829534398.db2.gz WNELKSOCAIURIT-ZIAGYGMSSA-N 2 0 328.457 -0.155 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C2CC2)C1 ZINC001132852256 829537927 /nfs/dbraw/zinc/53/79/27/829537927.db2.gz KKMNITMLMAGSPK-DZGCQCFKSA-N 2 0 340.468 -0.284 20 0 EBADRP C[NH+](C)Cc1ccoc1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001132985153 829566133 /nfs/dbraw/zinc/56/61/33/829566133.db2.gz ABBZPHQFTYCXDR-UHFFFAOYSA-N 2 0 332.426 -0.790 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132983668 829566222 /nfs/dbraw/zinc/56/62/22/829566222.db2.gz GSNGKEDVGVTJLV-UHFFFAOYSA-N 2 0 325.369 -0.884 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)CC1 ZINC001132993588 829568530 /nfs/dbraw/zinc/56/85/30/829568530.db2.gz ZFRHVLADFNXSCQ-UHFFFAOYSA-N 2 0 332.470 -0.931 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001132995282 829569109 /nfs/dbraw/zinc/56/91/09/829569109.db2.gz QBWBTAQBBQYNBH-ZDUSSCGKSA-N 2 0 331.482 -0.141 20 0 EBADRP CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132998399 829570100 /nfs/dbraw/zinc/57/01/00/829570100.db2.gz SSJWDFYOCHPYGU-CQSZACIVSA-N 2 0 342.484 -0.035 20 0 EBADRP C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CCNS(C)(=O)=O ZINC001133091515 829582291 /nfs/dbraw/zinc/58/22/91/829582291.db2.gz RXQYPCJKITULOA-KBPBESRZSA-N 2 0 348.513 -0.439 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133285870 829614602 /nfs/dbraw/zinc/61/46/02/829614602.db2.gz MBGPSONYDDYGGH-GFCCVEGCSA-N 2 0 341.456 -0.343 20 0 EBADRP C[NH+]1CCC(C(=O)NCC[NH2+]C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC001133285993 829614676 /nfs/dbraw/zinc/61/46/76/829614676.db2.gz RKXFKRZQYINTHA-HZPDHXFCSA-N 2 0 343.468 -0.410 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001133275694 829614728 /nfs/dbraw/zinc/61/47/28/829614728.db2.gz WGKOUHCISOPLNX-QWHCGFSZSA-N 2 0 341.456 -0.403 20 0 EBADRP CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133285975 829615044 /nfs/dbraw/zinc/61/50/44/829615044.db2.gz QPTSIQUMGLXJQB-UHFFFAOYSA-N 2 0 342.484 -0.035 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC001133285905 829615193 /nfs/dbraw/zinc/61/51/93/829615193.db2.gz NSFLSPRFWIXZGU-ZIAGYGMSSA-N 2 0 340.468 -0.330 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001186824942 833431684 /nfs/dbraw/zinc/43/16/84/833431684.db2.gz ROSOCRZWVYKZTR-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133415718 829630011 /nfs/dbraw/zinc/63/00/11/829630011.db2.gz LKLASUJYWHCEFV-NWDGAFQWSA-N 2 0 329.445 -0.487 20 0 EBADRP CC(C)[C@H](C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O)[NH+](C)C ZINC001133418705 829630313 /nfs/dbraw/zinc/63/03/13/829630313.db2.gz DPEPAPODKLRUEK-DZGCQCFKSA-N 2 0 328.457 -0.738 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133434706 829630872 /nfs/dbraw/zinc/63/08/72/829630872.db2.gz ZRAVBFAXYXLSTL-CHWSQXEVSA-N 2 0 343.472 -0.099 20 0 EBADRP CC(C)[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001133434535 829631560 /nfs/dbraw/zinc/63/15/60/829631560.db2.gz WBSWINYMNBTIAZ-WCQYABFASA-N 2 0 341.456 -0.345 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O ZINC001133823578 829679646 /nfs/dbraw/zinc/67/96/46/829679646.db2.gz JSXAQLZMWBKPJA-KBPBESRZSA-N 2 0 348.451 -0.285 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133833922 829680875 /nfs/dbraw/zinc/68/08/75/829680875.db2.gz JPKPLHPEPZRICF-GFCCVEGCSA-N 2 0 327.429 -0.588 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001133824072 829681190 /nfs/dbraw/zinc/68/11/90/829681190.db2.gz XGEWOUQPPMRODZ-LBPRGKRZSA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F)C1 ZINC001133846366 829684523 /nfs/dbraw/zinc/68/45/23/829684523.db2.gz ZLGWRWJIMKSLAJ-NEPJUHHUSA-N 2 0 341.374 -0.026 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133853687 829686771 /nfs/dbraw/zinc/68/67/71/829686771.db2.gz OMTADQDRXAYGLM-RYUDHWBXSA-N 2 0 327.429 -0.732 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)n(C)n1 ZINC001133866739 829689440 /nfs/dbraw/zinc/68/94/40/829689440.db2.gz OOAAXDMVFKDXNM-DGCLKSJQSA-N 2 0 336.440 -0.429 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001133868133 829689929 /nfs/dbraw/zinc/68/99/29/829689929.db2.gz ZPTPWQWLAAECPS-GXTWGEPZSA-N 2 0 326.441 -0.815 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCNC(=O)NC(C)(C)C ZINC001133869889 829690953 /nfs/dbraw/zinc/69/09/53/829690953.db2.gz NFXMXTXPYQGVEK-STQMWFEESA-N 2 0 327.473 -0.012 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133899339 829694853 /nfs/dbraw/zinc/69/48/53/829694853.db2.gz CPAFEGSCHOORIL-UHFFFAOYSA-N 2 0 330.473 -0.177 20 0 EBADRP CCCNC(=O)C[NH2+]CCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134020889 829713097 /nfs/dbraw/zinc/71/30/97/829713097.db2.gz JPTUXALCCKSVBV-AWEZNQCLSA-N 2 0 328.457 -0.281 20 0 EBADRP C[C@H](COCC(=O)NCC[NH2+]CC(=O)NC1CC1)[NH+]1CCCC1 ZINC001134058342 829719901 /nfs/dbraw/zinc/71/99/01/829719901.db2.gz JWBKMEBTEHNMFS-CYBMUJFWSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583676 829796634 /nfs/dbraw/zinc/79/66/34/829796634.db2.gz NDMQXTXJRHTOCC-GHMZBOCLSA-N 2 0 327.429 -0.462 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)C[N@H+](C)C1CCC1)[NH2+]CC(=O)NC(N)=O ZINC001134613265 829804708 /nfs/dbraw/zinc/80/47/08/829804708.db2.gz UKERFGMNYLFBLM-MNOVXSKESA-N 2 0 327.429 -0.462 20 0 EBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135118132 829900066 /nfs/dbraw/zinc/90/00/66/829900066.db2.gz HCENLJGZSOPNCO-UHFFFAOYSA-N 2 0 338.456 -0.464 20 0 EBADRP COc1cncc(C[NH2+]CCNC(=O)c2cnn(CC[NH+](C)C)c2)n1 ZINC001135118114 829900306 /nfs/dbraw/zinc/90/03/06/829900306.db2.gz GOYMQHXRRBYZMQ-UHFFFAOYSA-N 2 0 347.423 -0.237 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NCC[NH2+]CCN2CCCC2=O)cn1 ZINC001135119107 829901216 /nfs/dbraw/zinc/90/12/16/829901216.db2.gz XLUDJRDPRKBXRO-UHFFFAOYSA-N 2 0 336.440 -0.614 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135298450 829941635 /nfs/dbraw/zinc/94/16/35/829941635.db2.gz MRYFGZREXSHMJH-GHMZBOCLSA-N 2 0 327.429 -0.604 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135298456 829941799 /nfs/dbraw/zinc/94/17/99/829941799.db2.gz MRYFGZREXSHMJH-QWRGUYRKSA-N 2 0 327.429 -0.604 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001135378034 829956491 /nfs/dbraw/zinc/95/64/91/829956491.db2.gz HDCQHQOCWGPBNY-GHMZBOCLSA-N 2 0 327.429 -0.604 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135390570 829960948 /nfs/dbraw/zinc/96/09/48/829960948.db2.gz LFFLQNGRRDIHCQ-VXGBXAGGSA-N 2 0 341.456 -0.343 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC001135513063 829980019 /nfs/dbraw/zinc/98/00/19/829980019.db2.gz FKEXGVINYYNVOU-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)NC(=O)NCC(C)C ZINC001135513653 829980114 /nfs/dbraw/zinc/98/01/14/829980114.db2.gz SYYPCDQUSOSFCC-UHFFFAOYSA-N 2 0 329.445 -0.484 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC001135512896 829980281 /nfs/dbraw/zinc/98/02/81/829980281.db2.gz AXERQGHAOCEORX-CQSZACIVSA-N 2 0 336.440 -0.427 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135688507 830009093 /nfs/dbraw/zinc/00/90/93/830009093.db2.gz TXQJHMRVGYZEAL-HNNXBMFYSA-N 2 0 331.457 -0.552 20 0 EBADRP CC1CC[NH+](CC(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)CC1 ZINC001135702188 830012058 /nfs/dbraw/zinc/01/20/58/830012058.db2.gz ANBPQELAJJUFMH-OAHLLOKOSA-N 2 0 340.468 -0.423 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001135744159 830019058 /nfs/dbraw/zinc/01/90/58/830019058.db2.gz XATKWROGWOZOCL-NEPJUHHUSA-N 2 0 329.445 -0.343 20 0 EBADRP CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001135804980 830028903 /nfs/dbraw/zinc/02/89/03/830028903.db2.gz SFCKFPKIOODZMF-CHWSQXEVSA-N 2 0 328.457 -0.284 20 0 EBADRP CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001135804983 830029013 /nfs/dbraw/zinc/02/90/13/830029013.db2.gz SFCKFPKIOODZMF-STQMWFEESA-N 2 0 328.457 -0.284 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211229598 837411474 /nfs/dbraw/zinc/41/14/74/837411474.db2.gz XVZRLWZMILALTR-ZDUSSCGKSA-N 2 0 339.440 -0.362 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)COCC[NH+](C)C)[NH2+]Cc1cnnn1C ZINC001135922726 830046262 /nfs/dbraw/zinc/04/62/62/830046262.db2.gz AGPGGEVHWJYSNJ-OLZOCXBDSA-N 2 0 326.445 -0.234 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)COCC[NH+](C)C)[NH2+]CCn1cncn1 ZINC001135925050 830047184 /nfs/dbraw/zinc/04/71/84/830047184.db2.gz XMHHWCVPGHECAL-KGLIPLIRSA-N 2 0 326.445 -0.271 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)COCC[NH+](C)C ZINC001135923431 830048007 /nfs/dbraw/zinc/04/80/07/830048007.db2.gz KBSGCTGYQFJQOK-RYUDHWBXSA-N 2 0 342.444 -0.941 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CCS(C)(=O)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001135939417 830048737 /nfs/dbraw/zinc/04/87/37/830048737.db2.gz ZWFOGCLKDMITQH-STQMWFEESA-N 2 0 331.482 0.000 20 0 EBADRP CCCCNC(=O)C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135959941 830051531 /nfs/dbraw/zinc/05/15/31/830051531.db2.gz WNXAWPFFQDFYSI-UHFFFAOYSA-N 2 0 328.457 -0.281 20 0 EBADRP COc1cncc(C[NH2+]CCNC(=O)COC2CC[NH+](C)CC2)n1 ZINC001135959273 830051777 /nfs/dbraw/zinc/05/17/77/830051777.db2.gz NKPFWMBMBINNTK-UHFFFAOYSA-N 2 0 337.424 -0.198 20 0 EBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135958726 830052416 /nfs/dbraw/zinc/05/24/16/830052416.db2.gz DKCUSSYSRXJPLR-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]CCCS(C)(=O)=O)CC1 ZINC001135963399 830053130 /nfs/dbraw/zinc/05/31/30/830053130.db2.gz JSKHIAMKPMKZOC-UHFFFAOYSA-N 2 0 335.470 -0.762 20 0 EBADRP C[C@@H](NC(=O)C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001135963571 830053549 /nfs/dbraw/zinc/05/35/49/830053549.db2.gz USMFURVSHPAPLE-CYBMUJFWSA-N 2 0 340.468 -0.282 20 0 EBADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2CN(Cc3cnc(N)nc3)CC[C@@H]2C1 ZINC001138162773 830097482 /nfs/dbraw/zinc/09/74/82/830097482.db2.gz PWEMNBMPIJQWKF-HUUCEWRRSA-N 2 0 348.451 -0.330 20 0 EBADRP C[NH+]1CC(C(=O)N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)C1 ZINC001142593769 830132255 /nfs/dbraw/zinc/13/22/55/830132255.db2.gz MDSAQSMVROICNB-UHFFFAOYSA-N 2 0 332.452 -0.466 20 0 EBADRP CN(CC(=O)N(CC(C)(C)[NH3+])S(=O)(=O)c1ccccc1)C(N)=[NH2+] ZINC001144141143 830159881 /nfs/dbraw/zinc/15/98/81/830159881.db2.gz AOIVVBDMRUTMMA-UHFFFAOYSA-N 2 0 341.437 -0.234 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCCC1)[NH2+]CCNS(C)(=O)=O ZINC001146409174 830197391 /nfs/dbraw/zinc/19/73/91/830197391.db2.gz VGCYMYYKZJBUJY-OLZOCXBDSA-N 2 0 334.486 -0.496 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146590951 830211403 /nfs/dbraw/zinc/21/14/03/830211403.db2.gz DXHFWXOTCYIFAY-NEPJUHHUSA-N 2 0 329.445 -0.345 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC001146710655 830222070 /nfs/dbraw/zinc/22/20/70/830222070.db2.gz KOYYANCAXJQMDP-UONOGXRCSA-N 2 0 328.457 -0.282 20 0 EBADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001147833701 830417413 /nfs/dbraw/zinc/41/74/13/830417413.db2.gz AKNAROKMOCAYAZ-KBPBESRZSA-N 2 0 338.452 -0.038 20 0 EBADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001147833705 830418127 /nfs/dbraw/zinc/41/81/27/830418127.db2.gz AKNAROKMOCAYAZ-KGLIPLIRSA-N 2 0 338.452 -0.038 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001147885616 830425812 /nfs/dbraw/zinc/42/58/12/830425812.db2.gz NQWLNMQWCUEUON-ZDUSSCGKSA-N 2 0 332.470 -0.931 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001147884934 830426022 /nfs/dbraw/zinc/42/60/22/830426022.db2.gz INJJZAQMPBQAHV-KGLIPLIRSA-N 2 0 331.482 -0.141 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C(=O)NCC(F)(F)F ZINC001147891549 830426848 /nfs/dbraw/zinc/42/68/48/830426848.db2.gz CGWBSCJSDYPJEX-SNVBAGLBSA-N 2 0 342.362 -0.663 20 0 EBADRP Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)C[C@H]3CC[N@H+](C)C3)C2=O)n1 ZINC001147892579 830426881 /nfs/dbraw/zinc/42/68/81/830426881.db2.gz KFPGHFWPNMEYBT-KGLIPLIRSA-N 2 0 348.451 -0.427 20 0 EBADRP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147893963 830427002 /nfs/dbraw/zinc/42/70/02/830427002.db2.gz WEGLXNOKNQXVFU-CABCVRRESA-N 2 0 342.484 -0.035 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C(=O)NC1CCCC1 ZINC001147892432 830427016 /nfs/dbraw/zinc/42/70/16/830427016.db2.gz IDRRHHPIMIGDHV-CYBMUJFWSA-N 2 0 328.457 -0.282 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC(=O)NCc1cccs1 ZINC001147892940 830427320 /nfs/dbraw/zinc/42/73/20/830427320.db2.gz LYIVKRDDUIATFC-UHFFFAOYSA-N 2 0 342.465 -0.352 20 0 EBADRP CN(C(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2)c1nccs1 ZINC001147994520 830435348 /nfs/dbraw/zinc/43/53/48/830435348.db2.gz ILWRXKOVWVLJAO-UHFFFAOYSA-N 2 0 337.449 -0.093 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001148051195 830444098 /nfs/dbraw/zinc/44/40/98/830444098.db2.gz BTEXGKTZYINHKT-UHFFFAOYSA-N 2 0 349.435 -0.238 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CC3(C2)CC[N@H+](CCN2CCNC2=O)C3)CC1 ZINC001148161223 830450185 /nfs/dbraw/zinc/45/01/85/830450185.db2.gz QIJOLBNOBMPSHX-UHFFFAOYSA-N 2 0 349.479 -0.112 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC2(C1)CC[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001148469583 830493074 /nfs/dbraw/zinc/49/30/74/830493074.db2.gz OAYWJQNHBMFGRY-CYBMUJFWSA-N 2 0 336.436 -0.332 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001148570370 830510865 /nfs/dbraw/zinc/51/08/65/830510865.db2.gz BSSWMLSLYJONIW-AWEZNQCLSA-N 2 0 328.457 -0.281 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001148577919 830511824 /nfs/dbraw/zinc/51/18/24/830511824.db2.gz JSAXLAMMBNMHIJ-UHFFFAOYSA-N 2 0 336.502 -0.294 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148605381 830516090 /nfs/dbraw/zinc/51/60/90/830516090.db2.gz QILKPBODTKDAEN-GJZGRUSLSA-N 2 0 325.453 -0.130 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC2(C1)CC[N@H+](CCn1cncn1)C2 ZINC001148611900 830518228 /nfs/dbraw/zinc/51/82/28/830518228.db2.gz RGPZRHWGDULRAN-UHFFFAOYSA-N 2 0 336.440 -0.609 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001148655843 830524280 /nfs/dbraw/zinc/52/42/80/830524280.db2.gz SSBPOYANURRULX-CABCVRRESA-N 2 0 331.457 -0.410 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+]([C@@H](C)C(=O)NC(N)=O)C2 ZINC001148651642 830524415 /nfs/dbraw/zinc/52/44/15/830524415.db2.gz LSNORNQCMLGCLI-LBPRGKRZSA-N 2 0 339.440 -0.554 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@H]2C[N@H+](CCOCCO)CCCO2)CCC1 ZINC001149842776 830761376 /nfs/dbraw/zinc/76/13/76/830761376.db2.gz ZLIHDASKXUZGTK-HNNXBMFYSA-N 2 0 343.468 -0.313 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149848044 830762983 /nfs/dbraw/zinc/76/29/83/830762983.db2.gz IHVVHPCJFCQIHN-HUUCEWRRSA-N 2 0 343.468 -0.315 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150193752 830834244 /nfs/dbraw/zinc/83/42/44/830834244.db2.gz OSAQLGRDQRGGGA-HUUCEWRRSA-N 2 0 343.468 -0.457 20 0 EBADRP C[NH+](C)CC1(C(=O)NC[C@@H]2C[N@H+](CCOCCO)CCCO2)CC1 ZINC001150192609 830835178 /nfs/dbraw/zinc/83/51/78/830835178.db2.gz GUJQWRRVDNIQLF-OAHLLOKOSA-N 2 0 343.468 -0.456 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150193747 830835403 /nfs/dbraw/zinc/83/54/03/830835403.db2.gz OSAQLGRDQRGGGA-GJZGRUSLSA-N 2 0 343.468 -0.457 20 0 EBADRP C[C@@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001150508047 830919803 /nfs/dbraw/zinc/91/98/03/830919803.db2.gz NJYJVKJUFIIZRY-GDBMZVCRSA-N 2 0 343.468 -0.315 20 0 EBADRP CCOCC[N@@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150586957 830939200 /nfs/dbraw/zinc/93/92/00/830939200.db2.gz CYXKGPGJKKRVMB-HNNXBMFYSA-N 2 0 331.457 -0.192 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[NH+](CCOCCO)CCCO1 ZINC001150620818 830947499 /nfs/dbraw/zinc/94/74/99/830947499.db2.gz XOSAULJGTQBOFR-HNNXBMFYSA-N 2 0 331.457 -0.456 20 0 EBADRP COCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001150725353 830970916 /nfs/dbraw/zinc/97/09/16/830970916.db2.gz ULIQQVMZRYVBJF-HZPDHXFCSA-N 2 0 343.468 -0.192 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[NH+](CCn2cncn2)CCCO1 ZINC001150795079 830985065 /nfs/dbraw/zinc/98/50/65/830985065.db2.gz NFAAANFTTXESSV-HNNXBMFYSA-N 2 0 338.456 -0.175 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F)C1 ZINC001151066760 831019197 /nfs/dbraw/zinc/01/91/97/831019197.db2.gz YLQJAPOPUYKBFA-MNOVXSKESA-N 2 0 327.347 -0.416 20 0 EBADRP CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151072925 831019659 /nfs/dbraw/zinc/01/96/59/831019659.db2.gz AKOWDJDKFHQVAN-ZIAGYGMSSA-N 2 0 328.457 -0.425 20 0 EBADRP Cn1cc(N2CCC[C@H]([NH2+]CCNC(=O)[C@H]3CC[N@H+](C)C3)C2=O)cn1 ZINC001151066990 831020693 /nfs/dbraw/zinc/02/06/93/831020693.db2.gz ZTJJUFYZIHHLAQ-ZFWWWQNUSA-N 2 0 348.451 -0.427 20 0 EBADRP Cn1ccc(N2CCC[C@H]([NH2+]CCNC(=O)[C@@H]3CC[N@H+](C)C3)C2=O)n1 ZINC001151066508 831020722 /nfs/dbraw/zinc/02/07/22/831020722.db2.gz VFAVWJCXHSMNQG-KGLIPLIRSA-N 2 0 348.451 -0.427 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(=O)NC1CC1 ZINC001151073924 831021628 /nfs/dbraw/zinc/02/16/28/831021628.db2.gz SNJZANXKEOFSPS-WDEREUQCSA-N 2 0 325.413 -0.979 20 0 EBADRP O=C(C[NH+]1CCCC1)NCC[NH2+]CC(=O)N1CCOC[C@H]1C1CC1 ZINC001151097320 831024354 /nfs/dbraw/zinc/02/43/54/831024354.db2.gz NJOPGDCLFOVJTN-HNNXBMFYSA-N 2 0 338.452 -0.575 20 0 EBADRP Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)C[NH+]3CCCC3)C2=O)n1 ZINC001151101026 831026408 /nfs/dbraw/zinc/02/64/08/831026408.db2.gz JARGNLLKBJQSMS-CYBMUJFWSA-N 2 0 334.424 -0.673 20 0 EBADRP Cn1cc(N2CCC[C@@H]([NH2+]CCNC(=O)C[NH+]3CCCC3)C2=O)cn1 ZINC001151101197 831026443 /nfs/dbraw/zinc/02/64/43/831026443.db2.gz PZEPZLCZRXARAR-OAHLLOKOSA-N 2 0 348.451 -0.283 20 0 EBADRP CC(C)COC[C@H](O)C[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151156468 831034914 /nfs/dbraw/zinc/03/49/14/831034914.db2.gz DEDXQJIWGCLFQI-HZPDHXFCSA-N 2 0 345.484 -0.306 20 0 EBADRP CCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151156490 831035381 /nfs/dbraw/zinc/03/53/81/831035381.db2.gz DOUWGVWJPWCQPX-LSDHHAIUSA-N 2 0 342.484 -0.035 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1)C(=O)NC1CC1 ZINC001151160634 831035945 /nfs/dbraw/zinc/03/59/45/831035945.db2.gz WXBCLUTVSPLAEQ-QWHCGFSZSA-N 2 0 326.441 -0.672 20 0 EBADRP C[C@H](C[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1)CS(C)(=O)=O ZINC001151159922 831036826 /nfs/dbraw/zinc/03/68/26/831036826.db2.gz VLHKWGWXXMRNHU-ZIAGYGMSSA-N 2 0 349.497 -0.659 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]C[C@@H](O)CC(F)(F)F ZINC001151160020 831037279 /nfs/dbraw/zinc/03/72/79/831037279.db2.gz WRQCUFBNDVTPID-RYUDHWBXSA-N 2 0 341.374 -0.026 20 0 EBADRP O=C(CCC[NH+]1CCCCC1)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001151361460 831061849 /nfs/dbraw/zinc/06/18/49/831061849.db2.gz HHEBYUIWDYHCOT-UHFFFAOYSA-N 2 0 340.468 -0.183 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001152146373 831133713 /nfs/dbraw/zinc/13/37/13/831133713.db2.gz IUHJXZWPCQZCIP-VXGBXAGGSA-N 2 0 325.413 -0.883 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152145308 831134511 /nfs/dbraw/zinc/13/45/11/831134511.db2.gz AEFJJVIYNQQJDK-ZIAGYGMSSA-N 2 0 328.457 -0.282 20 0 EBADRP COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152230693 831143127 /nfs/dbraw/zinc/14/31/27/831143127.db2.gz GDSFRPXVFXNZRU-JKSUJKDBSA-N 2 0 345.484 -0.019 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccccc1C[NH+](C)C ZINC001152384282 831156438 /nfs/dbraw/zinc/15/64/38/831156438.db2.gz PGOBXSHHHPEPII-LBPRGKRZSA-N 2 0 349.435 -0.088 20 0 EBADRP CC[N@H+](CCN(C)S(C)(=O)=O)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152391700 831157705 /nfs/dbraw/zinc/15/77/05/831157705.db2.gz DLJXZTIOOZAHFC-ZIAGYGMSSA-N 2 0 348.513 -0.201 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC001152432558 831163154 /nfs/dbraw/zinc/16/31/54/831163154.db2.gz KXQUQVLYULKVIH-CQSZACIVSA-N 2 0 336.440 -0.429 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152445845 831164062 /nfs/dbraw/zinc/16/40/62/831164062.db2.gz PCRNWZVRFPSRMB-UHFFFAOYSA-N 2 0 329.445 -0.342 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001152446464 831164257 /nfs/dbraw/zinc/16/42/57/831164257.db2.gz ZCBKSPHFUWYJRV-KGLIPLIRSA-N 2 0 328.457 -0.284 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)COCCOC ZINC001152458598 831165209 /nfs/dbraw/zinc/16/52/09/831165209.db2.gz RLXAZUNYNZUTLA-GJZGRUSLSA-N 2 0 331.457 -0.410 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCNS(=O)(=O)CC ZINC001152458162 831165452 /nfs/dbraw/zinc/16/54/52/831165452.db2.gz LTGPPKDTZWJNFJ-ZDUSSCGKSA-N 2 0 334.486 -0.494 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152479530 831166216 /nfs/dbraw/zinc/16/62/16/831166216.db2.gz HAESWKWCIRMVNB-HZPDHXFCSA-N 2 0 345.484 -0.164 20 0 EBADRP CC[N@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001154836549 831366193 /nfs/dbraw/zinc/36/61/93/831366193.db2.gz DWEWMUUZMVMUIH-BZUAXINKSA-N 2 0 345.484 -0.071 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001155790682 831430447 /nfs/dbraw/zinc/43/04/47/831430447.db2.gz MABIGWMASQOBIL-GFCCVEGCSA-N 2 0 325.413 -0.835 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)NC(=O)NC1CC1 ZINC001155821842 831433491 /nfs/dbraw/zinc/43/34/91/831433491.db2.gz DCNVTHFPJCASHG-DGCLKSJQSA-N 2 0 339.440 -0.447 20 0 EBADRP CC[N@H+](CCn1cncn1)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156374319 831472197 /nfs/dbraw/zinc/47/21/97/831472197.db2.gz NZOFISPTWRVRLZ-CQSZACIVSA-N 2 0 326.445 -0.317 20 0 EBADRP CC[N@H+](CCN(C)S(C)(=O)=O)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156927247 831515486 /nfs/dbraw/zinc/51/54/86/831515486.db2.gz HYVVWRVWEANNPG-CQSZACIVSA-N 2 0 348.513 -0.200 20 0 EBADRP CO[C@@H]1CC[NH2+][C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)C1 ZINC001157386870 831563215 /nfs/dbraw/zinc/56/32/15/831563215.db2.gz RBLSPXQBEDXBJQ-QLFBSQMISA-N 2 0 340.468 -0.010 20 0 EBADRP CC1([NH3+])CN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C[NH3+])C1 ZINC001157651355 831584252 /nfs/dbraw/zinc/58/42/52/831584252.db2.gz MUEAYUMZOWWAFB-AWEZNQCLSA-N 2 0 329.404 -0.287 20 0 EBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CCC[C@@H](C[NH3+])[C@H]2C)COC1(C)C ZINC001157841208 831596517 /nfs/dbraw/zinc/59/65/17/831596517.db2.gz FQQCQEFKVUQTIX-RNJOBUHISA-N 2 0 326.441 -0.117 20 0 EBADRP C[C@H]1[C@H](C[NH3+])CCCN1C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001157845193 831597476 /nfs/dbraw/zinc/59/74/76/831597476.db2.gz BAQYWRZEQQISBX-AVGNSLFASA-N 2 0 328.457 -0.169 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158036256 831622141 /nfs/dbraw/zinc/62/21/41/831622141.db2.gz BBFPVTTVRCWODY-KGLIPLIRSA-N 2 0 346.497 -0.494 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001158073935 831624844 /nfs/dbraw/zinc/62/48/44/831624844.db2.gz TYHMMTFUZHNUBU-UHFFFAOYSA-N 2 0 341.456 -0.198 20 0 EBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158076307 831625073 /nfs/dbraw/zinc/62/50/73/831625073.db2.gz CUVSAXWXBAFNKZ-JSGCOSHPSA-N 2 0 326.441 -0.543 20 0 EBADRP [NH3+]C1CC2(C1)CCN(C(=O)[C@H]1Cn3nnnc3C13CC[NH2+]CC3)CC2 ZINC001158082816 831625604 /nfs/dbraw/zinc/62/56/04/831625604.db2.gz SIASLEFLYAVHAI-CYBMUJFWSA-N 2 0 345.451 -0.346 20 0 EBADRP O=C(c1csc([C@@H]2CCC[NH2+]2)n1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102517 831628036 /nfs/dbraw/zinc/62/80/36/831628036.db2.gz SYPZXRLZRIFCEH-BONVTDFDSA-N 2 0 335.433 -0.128 20 0 EBADRP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158110760 831629285 /nfs/dbraw/zinc/62/92/85/831629285.db2.gz IRMJXPRCPFNTBX-GOSISDBHSA-N 2 0 328.416 -0.321 20 0 EBADRP O=C([C@H]1C[NH2+]CCC1(F)F)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158118636 831629842 /nfs/dbraw/zinc/62/98/42/831629842.db2.gz CBLZTSYTPICUOO-YGRLFVJLSA-N 2 0 328.363 -0.831 20 0 EBADRP C[C@@H](C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001158119354 831630005 /nfs/dbraw/zinc/63/00/05/831630005.db2.gz GEIYQEHXOKUHJR-MMQJMDILSA-N 2 0 334.464 -0.051 20 0 EBADRP C[C@@H](C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001158119356 831630155 /nfs/dbraw/zinc/63/01/55/831630155.db2.gz GEIYQEHXOKUHJR-UHQDVWGKSA-N 2 0 334.464 -0.051 20 0 EBADRP O=C([C@@H]1CCSC12C[NH2+]C2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120970 831630706 /nfs/dbraw/zinc/63/07/06/831630706.db2.gz QGKVHVBRGBLREY-XHDPSFHLSA-N 2 0 336.461 -0.980 20 0 EBADRP COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)[NH2+]1)C2 ZINC001158236275 831639700 /nfs/dbraw/zinc/63/97/00/831639700.db2.gz ZPFCNHBMIQEKAX-AHIWAGSCSA-N 2 0 337.420 -0.491 20 0 EBADRP O=C([C@H]1CC[C@H]2[NH2+]CC[C@H]2O1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158263212 831641449 /nfs/dbraw/zinc/64/14/49/831641449.db2.gz ZZEPWQOBPVOBRZ-MGPQQGTHSA-N 2 0 346.435 -0.392 20 0 EBADRP O=C(C1=NO[C@@]2(CC[NH2+]C2)C1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158262653 831641687 /nfs/dbraw/zinc/64/16/87/831641687.db2.gz USPBLSDEXDKRRF-INIZCTEOSA-N 2 0 345.407 -0.793 20 0 EBADRP Cn1nncc1C[NH2+]CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001158287251 831643522 /nfs/dbraw/zinc/64/35/22/831643522.db2.gz BFUPPKJNCYQOCO-UHFFFAOYSA-N 2 0 334.428 -0.517 20 0 EBADRP O=C(c1ccc2c(c1)[C@H]1C[NH2+]C[C@@H]1NC2=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158313227 831645314 /nfs/dbraw/zinc/64/53/14/831645314.db2.gz IDDTXBOTCBBPTQ-BJKJVOPESA-N 2 0 326.400 -0.081 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158380300 831650569 /nfs/dbraw/zinc/65/05/69/831650569.db2.gz PDAJEUYCOKQSQS-CHWSQXEVSA-N 2 0 334.486 -0.638 20 0 EBADRP CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(=O)[C@@H](N)C[NH3+])C2 ZINC001158468784 831657744 /nfs/dbraw/zinc/65/77/44/831657744.db2.gz SMARVCXJJFNLRP-GDZNZVCISA-N 2 0 338.452 -0.556 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[NH2+]Cc2ccnn2C1 ZINC001158496558 831660784 /nfs/dbraw/zinc/66/07/84/831660784.db2.gz SFMWFDODGGBVMG-MYZSUADSSA-N 2 0 347.419 -0.646 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)CCCCNC(N)=[NH2+] ZINC001158497560 831660850 /nfs/dbraw/zinc/66/08/50/831660850.db2.gz CBAKOLJBUMKNRD-SDDRHHMPSA-N 2 0 325.413 -0.608 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC001158497770 831660963 /nfs/dbraw/zinc/66/09/63/831660963.db2.gz HEFRWHALZOFYBT-FQUUOJAGSA-N 2 0 325.409 -0.508 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)CN1CCC[C@H]([NH2+]C)C1 ZINC001158497507 831661157 /nfs/dbraw/zinc/66/11/57/831661157.db2.gz ANWFHZUDYKPQCX-ZQDZILKHSA-N 2 0 338.452 -0.578 20 0 EBADRP Cn1cc(CC[NH2+]CCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cn1 ZINC001158506097 831661804 /nfs/dbraw/zinc/66/18/04/831661804.db2.gz GVGAHASBDBSSEJ-HOTGVXAUSA-N 2 0 335.452 -0.078 20 0 EBADRP COCCOCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158508898 831662005 /nfs/dbraw/zinc/66/20/05/831662005.db2.gz YBBYHRVDFXFRFR-LSDHHAIUSA-N 2 0 329.441 -0.392 20 0 EBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158545526 831664377 /nfs/dbraw/zinc/66/43/77/831664377.db2.gz HDMFUHYSVBLBAU-QSJFSLAZSA-N 2 0 338.452 -0.401 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(c1cncc(N3CC[NH2+]CC3)n1)CC2 ZINC001158637617 831672860 /nfs/dbraw/zinc/67/28/60/831672860.db2.gz VHPLKLHXPFSWKJ-SUMWQHHRSA-N 2 0 346.435 -0.382 20 0 EBADRP COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@@H]1CC[NH2+]1 ZINC001159078097 831706722 /nfs/dbraw/zinc/70/67/22/831706722.db2.gz UPRHAROOIKILMP-DVOMOZLQSA-N 2 0 325.409 -0.397 20 0 EBADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C1 ZINC001159135735 831710905 /nfs/dbraw/zinc/71/09/05/831710905.db2.gz YGWYQBCLEDEFJJ-PSVOKBTDSA-N 2 0 341.481 -0.501 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCCC[NH2+]CC(=O)NCCCOC ZINC001159155504 831712881 /nfs/dbraw/zinc/71/28/81/831712881.db2.gz PAPIKLIMQZBPSH-AWEZNQCLSA-N 2 0 348.463 -0.085 20 0 EBADRP CO[C@@H]1CCN(C(=O)[C@@H](N)CC[NH3+])[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001159317894 831739474 /nfs/dbraw/zinc/73/94/74/831739474.db2.gz ZOBAQXURPSPWHZ-MWDXBVQZSA-N 2 0 347.463 -0.195 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC(=O)NC ZINC001159329074 831741108 /nfs/dbraw/zinc/74/11/08/831741108.db2.gz YFCODTLIPXUUQJ-GFCCVEGCSA-N 2 0 327.429 -0.588 20 0 EBADRP CCOC[C@H]1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])Cc2cnn(C)c21 ZINC001159402530 831749685 /nfs/dbraw/zinc/74/96/85/831749685.db2.gz HHBHYGRLCHXTAH-OLZOCXBDSA-N 2 0 341.481 -0.098 20 0 EBADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@H]1C[NH2+]CCN1)C2 ZINC001159481249 831755826 /nfs/dbraw/zinc/75/58/26/831755826.db2.gz KUIKZAYDQMQAAR-JFIYKMOQSA-N 2 0 336.480 -0.245 20 0 EBADRP [NH3+][C@@H]1CN[C@H](C(=O)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)C1 ZINC001159667151 831771846 /nfs/dbraw/zinc/77/18/46/831771846.db2.gz SZFASHQSZVCQPC-NXOAAHMSSA-N 2 0 345.447 -0.428 20 0 EBADRP CC(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)CC[C@@H]21 ZINC001159782432 831782472 /nfs/dbraw/zinc/78/24/72/831782472.db2.gz QQSVZQMRYVNMBL-ILXRZTDVSA-N 2 0 334.464 -0.099 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159862159 831788867 /nfs/dbraw/zinc/78/88/67/831788867.db2.gz XSOXZJLGAANLDP-NSHDSACASA-N 2 0 327.429 -0.589 20 0 EBADRP C[NH+](C)C1(C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCCO2)CCC1 ZINC001159854709 831788988 /nfs/dbraw/zinc/78/89/88/831788988.db2.gz REFDAFUGHLGQJL-AWEZNQCLSA-N 2 0 340.468 -0.138 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)C(N)=O ZINC001159868689 831789490 /nfs/dbraw/zinc/78/94/90/831789490.db2.gz JZFVHWRGGYTNQN-JSGCOSHPSA-N 2 0 326.441 -0.401 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC001159874611 831791102 /nfs/dbraw/zinc/79/11/02/831791102.db2.gz UIVHVMCHDZSCNU-YOEHRIQHSA-N 2 0 348.451 -0.259 20 0 EBADRP [NH3+]CCC[NH2+]CC(=O)N1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001159885669 831793604 /nfs/dbraw/zinc/79/36/04/831793604.db2.gz HSSSALGEXUZCJO-QGZVFWFLSA-N 2 0 348.451 -0.387 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1)C1CC1 ZINC001159915229 831797194 /nfs/dbraw/zinc/79/71/94/831797194.db2.gz HUEGWIQKOLSPML-ZBFHGGJFSA-N 2 0 340.468 -0.282 20 0 EBADRP Cn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])[C@@H]2COC[C@H]12 ZINC001160084450 831813510 /nfs/dbraw/zinc/81/35/10/831813510.db2.gz FTGCYCFIPTUSDY-QVHKTLOISA-N 2 0 349.435 -0.953 20 0 EBADRP CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)CCO2 ZINC001160179505 831823006 /nfs/dbraw/zinc/82/30/06/831823006.db2.gz LNKYLLTUULVMHF-WBVHZDCISA-N 2 0 338.452 -0.447 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001160275143 831830834 /nfs/dbraw/zinc/83/08/34/831830834.db2.gz ZVZGYHXECILMTN-HZPDHXFCSA-N 2 0 345.484 -0.019 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(=O)NC(N)=O ZINC001160274744 831830886 /nfs/dbraw/zinc/83/08/86/831830886.db2.gz WMWSAKHFOJSWHU-NEPJUHHUSA-N 2 0 327.429 -0.460 20 0 EBADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)[C@H]([NH3+])CCC[NH3+])CC1 ZINC001160389191 831842694 /nfs/dbraw/zinc/84/26/94/831842694.db2.gz XNCYWBNWYHOSDY-CQSZACIVSA-N 3 0 339.484 -0.402 20 0 EBADRP [NH3+]CCC[NH2+]CC(=O)N1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 ZINC001160419809 831846651 /nfs/dbraw/zinc/84/66/51/831846651.db2.gz VEGUMEVNTQMSSY-QGZVFWFLSA-N 2 0 346.435 -0.240 20 0 EBADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1)[NH+](C)C ZINC001160428270 831848389 /nfs/dbraw/zinc/84/83/89/831848389.db2.gz YJFSXIYNRQQUSW-HOCLYGCPSA-N 2 0 342.484 -0.179 20 0 EBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC001160611807 831870697 /nfs/dbraw/zinc/87/06/97/831870697.db2.gz WIJGEDKVUKIYNF-GJZGRUSLSA-N 2 0 349.456 -0.130 20 0 EBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCn2c(Cc3ccc(F)cc3)nnc2C1 ZINC001160628226 831872097 /nfs/dbraw/zinc/87/20/97/831872097.db2.gz AIMJHIWHEWLLFF-KBPBESRZSA-N 2 0 344.394 -0.103 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@]23C(=O)Nc2ccccc23)CCO1 ZINC001160644159 831873736 /nfs/dbraw/zinc/87/37/36/831873736.db2.gz VEEULWRGRICMSL-PLQHRBFRSA-N 2 0 330.388 -0.718 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2CN(Cc3ccccc3)CC23C[NH2+]C3)CCO1 ZINC001160644137 831873765 /nfs/dbraw/zinc/87/37/65/831873765.db2.gz UHORTXMLFYSBJS-DLBZAZTESA-N 2 0 344.459 -0.106 20 0 EBADRP [NH3+][C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CN(c2ccccc2)C3)C[C@H]1O ZINC001160655470 831876652 /nfs/dbraw/zinc/87/66/52/831876652.db2.gz NEXFNTDFLFEBKZ-AAJLLMFJSA-N 2 0 330.432 -0.367 20 0 EBADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160652773 831876899 /nfs/dbraw/zinc/87/68/99/831876899.db2.gz LEEDZQNQCXBTDH-IXDOHACOSA-N 2 0 343.431 -0.278 20 0 EBADRP [NH3+][C@@H]1CCN(C(=O)c2ccc3c(c2)[C@H]2C[NH2+]C[C@@H]2NC3=O)C[C@H]1O ZINC001160655134 831877044 /nfs/dbraw/zinc/87/70/44/831877044.db2.gz HDHHLHSMKKAOGW-APIJFGDWSA-N 2 0 330.388 -0.981 20 0 EBADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)CC1 ZINC001160669712 831877276 /nfs/dbraw/zinc/87/72/76/831877276.db2.gz KJTYDVYYHIWYKU-CYBMUJFWSA-N 2 0 341.456 -0.525 20 0 EBADRP C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C[C@H]2C1 ZINC001160704680 831879423 /nfs/dbraw/zinc/87/94/23/831879423.db2.gz MWIIVIJGEDWIKL-HZSPNIEDSA-N 2 0 341.477 -0.579 20 0 EBADRP O=C(N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001160779935 831886063 /nfs/dbraw/zinc/88/60/63/831886063.db2.gz LMBDSDFIDFABKW-NBMJBFSESA-N 2 0 326.444 -0.063 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@]34CC[C@@H](N3)[C@H]([NH3+])C4)C[C@H]1C2 ZINC001160791787 831887736 /nfs/dbraw/zinc/88/77/36/831887736.db2.gz CFRDZGOGLLLDAV-XCGMJGIDSA-N 2 0 348.447 -0.935 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)[C@H](CCCC[NH3+])[NH2+]C)C[C@H]1C[NH2+]CC2 ZINC001160810841 831889451 /nfs/dbraw/zinc/88/94/51/831889451.db2.gz IDHITBOUYGXSDC-JKIFEVAISA-N 3 0 340.468 -0.295 20 0 EBADRP CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001160825041 831892561 /nfs/dbraw/zinc/89/25/61/831892561.db2.gz RZKPCLXXWRLLFU-GXTWGEPZSA-N 2 0 335.408 -0.275 20 0 EBADRP CC[C@H](C(=O)NCCC[NH2+]CCCNS(=O)(=O)CC)[NH+](C)C ZINC001160883259 831903100 /nfs/dbraw/zinc/90/31/00/831903100.db2.gz JARCEYFLDJRIMU-CYBMUJFWSA-N 2 0 336.502 -0.248 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC(Oc2cnccn2)CC1 ZINC001160890582 831904052 /nfs/dbraw/zinc/90/40/52/831904052.db2.gz MZWTZLKOPCBVOH-LBPRGKRZSA-N 2 0 325.438 -0.134 20 0 EBADRP O=C([C@H]1CCCN([C@H]2CC[NH2+]C2)C1)N(c1ncccn1)C1C[NH2+]C1 ZINC001160916119 831906133 /nfs/dbraw/zinc/90/61/33/831906133.db2.gz VGNHHIGKYBYUSZ-KBPBESRZSA-N 2 0 330.436 -0.145 20 0 EBADRP CN1CC[C@H]([NH2+]CCCNC(=O)C(C)(C)C[NH+]2CCOCC2)C1=O ZINC001160951332 831909320 /nfs/dbraw/zinc/90/93/20/831909320.db2.gz HGTJTYUOTPPILV-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP O=C(c1cccnc1N1CC[NH2+]CC1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161008530 831913417 /nfs/dbraw/zinc/91/34/17/831913417.db2.gz PPPGACYHQHSGAU-HNNXBMFYSA-N 2 0 345.447 -0.180 20 0 EBADRP O=C(C1CCN([C@H]2CC[NH2+]C2)CC1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161009197 831913879 /nfs/dbraw/zinc/91/38/79/831913879.db2.gz UKKONWCZZVQEQT-HOTGVXAUSA-N 2 0 336.480 -0.224 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001161040817 831916163 /nfs/dbraw/zinc/91/61/63/831916163.db2.gz DFMWRUHUXVRHMG-HNNXBMFYSA-N 2 0 328.457 -0.281 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161066889 831919321 /nfs/dbraw/zinc/91/93/21/831919321.db2.gz DAWLWXBTIKUXGO-VXGBXAGGSA-N 2 0 341.437 -0.973 20 0 EBADRP CCOC(=O)[C@@H]1COCCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001161093460 831923671 /nfs/dbraw/zinc/92/36/71/831923671.db2.gz OOPJPTBFYURILL-STQMWFEESA-N 2 0 325.409 -0.349 20 0 EBADRP C[NH+]1CCN(c2cccc(NCCN(CC[NH3+])N(O)N=O)n2)CC1 ZINC001161092194 831923708 /nfs/dbraw/zinc/92/37/08/831923708.db2.gz MXCUALGDYJWHEJ-UHFFFAOYSA-N 2 0 338.416 -0.206 20 0 EBADRP N[C@@H](C[NH3+])C(=O)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001161152219 831932102 /nfs/dbraw/zinc/93/21/02/831932102.db2.gz BUEHVVYDHIIFCF-VIFPVBQESA-N 2 0 332.330 -0.134 20 0 EBADRP CCOC(=O)CN(CCC[NH3+])C(=O)c1cccnc1N1CC[NH2+]CC1 ZINC001161159165 831933468 /nfs/dbraw/zinc/93/34/68/831933468.db2.gz XCQOQJMMVAKREV-UHFFFAOYSA-N 2 0 349.435 -0.155 20 0 EBADRP CCOC(=O)CN(CCC[NH3+])C(=O)C1([NH3+])CCC2(CC1)OCCO2 ZINC001161157964 831933990 /nfs/dbraw/zinc/93/39/90/831933990.db2.gz MMQPKOFTYPEYRW-UHFFFAOYSA-N 2 0 343.424 -0.259 20 0 EBADRP C[NH2+][C@@H](CO)C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198803 831937701 /nfs/dbraw/zinc/93/77/01/831937701.db2.gz YRZPSJBNQYGWFP-INIZCTEOSA-N 2 0 342.484 -0.883 20 0 EBADRP COc1cnc(O[C@H]2CCN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C2)nc1 ZINC001161298200 831945404 /nfs/dbraw/zinc/94/54/04/831945404.db2.gz ILMXPAGCVKKLAJ-AAEUAGOBSA-N 2 0 333.392 -0.726 20 0 EBADRP COc1cc(C)nc(N(C(=O)[C@@]2(N)CCC[NH2+]C2)C2CC[NH2+]CC2)n1 ZINC001161309459 831947415 /nfs/dbraw/zinc/94/74/15/831947415.db2.gz QELVSEAHFNXHLI-QGZVFWFLSA-N 2 0 348.451 -0.040 20 0 EBADRP [NH3+]C1CCN([C@H]2CCN(C(=O)[C@H]3CNC(=O)C34CC[NH2+]CC4)C2)CC1 ZINC001161381707 831951217 /nfs/dbraw/zinc/95/12/17/831951217.db2.gz YUUGSHHROVFGHP-LSDHHAIUSA-N 2 0 349.479 -0.874 20 0 EBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161380781 831951499 /nfs/dbraw/zinc/95/14/99/831951499.db2.gz VIXRICIKMQVRFN-HOTGVXAUSA-N 2 0 339.484 -0.356 20 0 EBADRP C[NH+](C)CCN(C(=O)[C@H]1C[NH2+]Cc2ccnn2C1)[C@H]1CCC[NH2+]C1 ZINC001161443446 831957906 /nfs/dbraw/zinc/95/79/06/831957906.db2.gz UTJXJYCJLOJPOL-GJZGRUSLSA-N 3 0 334.468 -0.255 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1C[C@H]3C[NH2+]CC[C@@H]3O1)CC2 ZINC001161477043 831962141 /nfs/dbraw/zinc/96/21/41/831962141.db2.gz GTHRXNRYANYZHD-REVBEMBVSA-N 2 0 337.420 -0.493 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1C[C@H]3C[NH2+]CC[C@@H]3O1)CC2 ZINC001161477042 831962476 /nfs/dbraw/zinc/96/24/76/831962476.db2.gz GTHRXNRYANYZHD-LHLGERLTSA-N 2 0 337.420 -0.493 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)CC2 ZINC001161475975 831962811 /nfs/dbraw/zinc/96/28/11/831962811.db2.gz ABHKBVFVXGXUNJ-ZQIUZPCESA-N 3 0 340.468 -0.201 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)CN(C)[C@H]1CCC[NH2+]C1)CC2 ZINC001161480645 831964547 /nfs/dbraw/zinc/96/45/47/831964547.db2.gz PVMHJPOOJMPNDW-ZQIUZPCESA-N 2 0 338.452 -0.576 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1CC[C@H]3[NH2+]CC[C@H]3O1)CC2 ZINC001161481271 831964604 /nfs/dbraw/zinc/96/46/04/831964604.db2.gz XIUNAUXJTMDHQQ-CVXDVXMKSA-N 2 0 337.420 -0.351 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)c1[nH]nc3c1C[NH2+]CC3)CC2 ZINC001161483982 831965103 /nfs/dbraw/zinc/96/51/03/831965103.db2.gz REQNPJNQGYDIRC-LRDDRELGSA-N 2 0 333.392 -0.577 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)[C@H](c2ccco2)N2CCC([NH3+])CC2)CC12COC2 ZINC001161498966 831966782 /nfs/dbraw/zinc/96/67/82/831966782.db2.gz DJEXLIQFXMNCQC-CABCVRRESA-N 2 0 334.420 -0.070 20 0 EBADRP C[C@@H]1CN(C2CN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)C2)C[C@H](C)O1 ZINC001161499120 831967080 /nfs/dbraw/zinc/96/70/80/831967080.db2.gz NYFRSJNKDWOQHM-ZENOOKHLSA-N 2 0 339.484 -0.943 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC([N@H+](C)[C@H]2CCOC2)C1 ZINC001161500678 831967087 /nfs/dbraw/zinc/96/70/87/831967087.db2.gz XXICQSDSGHYPFD-YDHLFZDLSA-N 2 0 340.468 -0.204 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)c2ccc3c(c2)[C@@H]2C[NH2+]C[C@H]2NC3=O)CC12COC2 ZINC001161506891 831967845 /nfs/dbraw/zinc/96/78/45/831967845.db2.gz PSGVZIVOEDMPBE-RRFJBIMHSA-N 2 0 342.399 -0.715 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161550691 831971192 /nfs/dbraw/zinc/97/11/92/831971192.db2.gz OWPSOOWXKTWSSH-KBPBESRZSA-N 3 0 337.468 -0.602 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001161564329 831972883 /nfs/dbraw/zinc/97/28/83/831972883.db2.gz YRPOJRDZIBJNQH-UHFFFAOYSA-N 2 0 346.391 -0.192 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)C12CCC[NH+]1CCC2)C(=O)NC(N)=O ZINC001161796040 831992651 /nfs/dbraw/zinc/99/26/51/831992651.db2.gz YAIMBDCFYPCSGX-NSHDSACASA-N 2 0 325.413 -0.706 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)c1ccn2c[nH+]cc2c1)C(=O)NC(N)=O ZINC001161872726 831999179 /nfs/dbraw/zinc/99/91/79/831999179.db2.gz KYDJRZNOADRDRC-JTQLQIEISA-N 2 0 332.364 -0.373 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])c1cccc2nc([C@@H]3C[NH2+]CCO3)cn21 ZINC001162131351 832020625 /nfs/dbraw/zinc/02/06/25/832020625.db2.gz SYDWBJLZZISOKE-LBPRGKRZSA-N 2 0 339.421 -0.280 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)c1nnnn1C ZINC001162872462 832068395 /nfs/dbraw/zinc/06/83/95/832068395.db2.gz SPISAXZRSXRLBY-OPXGVBIBSA-N 2 0 349.439 -0.770 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)c1nncn1C ZINC001162872598 832069616 /nfs/dbraw/zinc/06/96/16/832069616.db2.gz XQLWSUWGPQQLLH-SMOJQAGNSA-N 2 0 348.451 -0.165 20 0 EBADRP c1cc(N2CC[NH2+]CC2)nc(NCc2nnc3n2CCC[NH2+]C3)n1 ZINC001163011840 832075180 /nfs/dbraw/zinc/07/51/80/832075180.db2.gz XXTAGFRTUWOECD-UHFFFAOYSA-N 2 0 329.412 -0.417 20 0 EBADRP COc1c(NCc2nnc3n2CCC[NH2+]C3)ncnc1C1C[NH2+]C1 ZINC001163016393 832076038 /nfs/dbraw/zinc/07/60/38/832076038.db2.gz COKBUWHEMJVNEM-UHFFFAOYSA-N 2 0 330.396 -0.131 20 0 EBADRP Cc1cnc(N2CCC(C[NH3+])CC2)nc1N[C@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001163239707 832092930 /nfs/dbraw/zinc/09/29/30/832092930.db2.gz VPRUUVUCUAOMQR-SUMWQHHRSA-N 2 0 345.451 -0.050 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C(=O)NC(N)=O ZINC001163242927 832093570 /nfs/dbraw/zinc/09/35/70/832093570.db2.gz PFYGZXXZPUYWGR-DGCLKSJQSA-N 2 0 339.440 -0.460 20 0 EBADRP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001350340975 832156264 /nfs/dbraw/zinc/15/62/64/832156264.db2.gz GAUGWJRQUNBTML-UKRRQHHQSA-N 2 0 338.452 -0.528 20 0 EBADRP CN(c1cccc2nc([C@@H]3C[NH2+]CCO3)cn21)S(=O)(=O)CC[NH3+] ZINC001164297522 832182941 /nfs/dbraw/zinc/18/29/41/832182941.db2.gz WVPVQSANOLOVFK-LBPRGKRZSA-N 2 0 339.421 -0.280 20 0 EBADRP CN(c1ccc(C(=O)N2CC[NH2+]CC2)cc1)S(=O)(=O)CC[NH3+] ZINC001164300318 832183090 /nfs/dbraw/zinc/18/30/90/832183090.db2.gz MDXAJUKVPRKQLD-UHFFFAOYSA-N 2 0 326.422 -0.543 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001164536048 832194941 /nfs/dbraw/zinc/19/49/41/832194941.db2.gz LKCLILVBSQAHET-OAHLLOKOSA-N 2 0 340.468 -0.282 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001164538428 832195898 /nfs/dbraw/zinc/19/58/98/832195898.db2.gz GVNUSIBMKIGURO-ZIAGYGMSSA-N 2 0 326.441 -0.530 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@@H](C)c2nnnn2C)C1 ZINC001164539155 832196219 /nfs/dbraw/zinc/19/62/19/832196219.db2.gz TWZVSRULBCABNF-STQMWFEESA-N 2 0 339.444 -0.524 20 0 EBADRP Cn1ccc(N2CC[C@H]([NH2+]CCCNC(=O)CC[NH+](C)C)C2=O)n1 ZINC001165781219 832237475 /nfs/dbraw/zinc/23/74/75/832237475.db2.gz LGVDGJLMEWWJJF-ZDUSSCGKSA-N 2 0 336.440 -0.427 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)CC[NH+](C)C)C(=O)NC[C@H]1CCCO1 ZINC001165788697 832238058 /nfs/dbraw/zinc/23/80/58/832238058.db2.gz RUILRCTXURJPKJ-ZIAGYGMSSA-N 2 0 328.457 -0.282 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001166627664 832274604 /nfs/dbraw/zinc/27/46/04/832274604.db2.gz ZAEBBQPYCYGTOZ-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001166626937 832274954 /nfs/dbraw/zinc/27/49/54/832274954.db2.gz MPVYWFHGONTPEU-CQSZACIVSA-N 2 0 348.513 -0.152 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC(=O)Nc1cnccn1 ZINC001166634448 832275845 /nfs/dbraw/zinc/27/58/45/832275845.db2.gz SDIAVARUPIPBLJ-ZDUSSCGKSA-N 2 0 334.424 -0.005 20 0 EBADRP CC(C)NC(=O)NCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001166690929 832279734 /nfs/dbraw/zinc/27/97/34/832279734.db2.gz IPTMFIHMPAKWFH-KGLIPLIRSA-N 2 0 327.473 -0.012 20 0 EBADRP CC(C)NC(=O)NCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001166690930 832279801 /nfs/dbraw/zinc/27/98/01/832279801.db2.gz IPTMFIHMPAKWFH-UONOGXRCSA-N 2 0 327.473 -0.012 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001166690410 832280360 /nfs/dbraw/zinc/28/03/60/832280360.db2.gz AAAUUSVJKSZESA-KGLIPLIRSA-N 2 0 348.513 -0.439 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001166692361 832280379 /nfs/dbraw/zinc/28/03/79/832280379.db2.gz OUHGBFISFCZEJC-HIFRSBDPSA-N 2 0 328.457 -0.567 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCc1cccnc1 ZINC001166706990 832281442 /nfs/dbraw/zinc/28/14/42/832281442.db2.gz BYOWCZXWDIWUDC-HOCLYGCPSA-N 2 0 347.463 -0.009 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O ZINC001166714394 832282439 /nfs/dbraw/zinc/28/24/39/832282439.db2.gz KBLBRXGTNVABLX-QWHCGFSZSA-N 2 0 334.486 -0.829 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001166750940 832286847 /nfs/dbraw/zinc/28/68/47/832286847.db2.gz NGLSFOZDKIGJHF-LBPRGKRZSA-N 2 0 343.472 -0.096 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC2(C[NH2+]CC(N)=O)CC2)C1 ZINC001166814981 832290673 /nfs/dbraw/zinc/29/06/73/832290673.db2.gz WRXDTMVSJRMWIP-ZDUSSCGKSA-N 2 0 326.441 -0.543 20 0 EBADRP CC[C@@H](C(=O)NCCC[NH2+]C[C@@H](O)COC1CCOCC1)[NH+](C)C ZINC001166852954 832294156 /nfs/dbraw/zinc/29/41/56/832294156.db2.gz ZYGZSAGVUPECFY-ZBFHGGJFSA-N 2 0 345.484 -0.021 20 0 EBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001166931043 832300047 /nfs/dbraw/zinc/30/00/47/832300047.db2.gz QHMUNRWLRFOTON-CABCVRRESA-N 2 0 331.457 -0.410 20 0 EBADRP C[C@@H](COCC(=O)NCCC[NH2+]Cc1cnn(C)n1)[NH+]1CCCC1 ZINC001166930996 832300469 /nfs/dbraw/zinc/30/04/69/832300469.db2.gz OSFVEVNKPZBGNA-AWEZNQCLSA-N 2 0 338.456 -0.088 20 0 EBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001166966867 832303099 /nfs/dbraw/zinc/30/30/99/832303099.db2.gz IZGALLMDHYBZQG-YPMHNXCESA-N 2 0 333.392 -0.794 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCCC2(C[NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001167232842 832318950 /nfs/dbraw/zinc/31/89/50/832318950.db2.gz RUIMDCRQCIBWEA-LBPRGKRZSA-N 2 0 339.440 -0.601 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC2(C[NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001167232841 832319444 /nfs/dbraw/zinc/31/94/44/832319444.db2.gz RUIMDCRQCIBWEA-GFCCVEGCSA-N 2 0 339.440 -0.601 20 0 EBADRP CCNC(=O)C[NH2+]CC1(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001167732534 832368211 /nfs/dbraw/zinc/36/82/11/832368211.db2.gz GLQSSCJGWCHBOD-UHFFFAOYSA-N 2 0 328.457 -0.423 20 0 EBADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc(C(=O)N2CCNC(=O)C2)cn1 ZINC001167880309 832380410 /nfs/dbraw/zinc/38/04/10/832380410.db2.gz HLMYSNRAKQXELQ-UHFFFAOYSA-N 2 0 333.396 -0.671 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC2(C[NH2+]CCS(C)(=O)=O)CC2)C1 ZINC001168138163 832399497 /nfs/dbraw/zinc/39/94/97/832399497.db2.gz SDNNAKYMGWCAOK-ZDUSSCGKSA-N 2 0 331.482 -0.141 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001353314195 832421510 /nfs/dbraw/zinc/42/15/10/832421510.db2.gz YHEMPRHMHJQIGS-MCIONIFRSA-N 2 0 325.457 -0.164 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001168762510 832434450 /nfs/dbraw/zinc/43/44/50/832434450.db2.gz DPYJVJZNFSMTTO-LBPRGKRZSA-N 2 0 341.456 -0.199 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]C[C@H](O)CO[C@@H](C)COC ZINC001168754808 832434626 /nfs/dbraw/zinc/43/46/26/832434626.db2.gz CBTBCPIAXFBCTC-GJZGRUSLSA-N 2 0 333.473 -0.164 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001169127354 832449727 /nfs/dbraw/zinc/44/97/27/832449727.db2.gz MOBPQFJBGRCLLC-UHFFFAOYSA-N 2 0 342.484 -0.033 20 0 EBADRP CC(=O)N1CC[C@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C1 ZINC001169513264 832466028 /nfs/dbraw/zinc/46/60/28/832466028.db2.gz KZEXVESOLKMSHB-INIZCTEOSA-N 2 0 347.456 -0.778 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCCC[NH2+]CCCS(C)(=O)=O)CC1 ZINC001169530605 832466147 /nfs/dbraw/zinc/46/61/47/832466147.db2.gz FIVMWGWLBZJNGW-UHFFFAOYSA-N 2 0 349.497 -0.372 20 0 EBADRP C[NH+]1CCC(NC(=O)c2ccc(N[C@@H]3C[NH2+]C[C@H]3CO)nn2)CC1 ZINC001170778081 832525079 /nfs/dbraw/zinc/52/50/79/832525079.db2.gz KUXMYSIQEXZKBH-SMDDNHRTSA-N 2 0 334.424 -0.707 20 0 EBADRP C[NH+](C)[C@](C)(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)c1ccccc1 ZINC001170819739 832528153 /nfs/dbraw/zinc/52/81/53/832528153.db2.gz OQKXFLDBQHXRHZ-KRWDZBQOSA-N 2 0 349.435 -0.246 20 0 EBADRP C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001170842188 832529149 /nfs/dbraw/zinc/52/91/49/832529149.db2.gz PFFKPWBEOXNJFW-ZDUSSCGKSA-N 2 0 338.456 -0.192 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]C[C@H](O)CC(F)(F)F ZINC001171205178 832550429 /nfs/dbraw/zinc/55/04/29/832550429.db2.gz PLBVFGHGNRNAQF-LLVKDONJSA-N 2 0 329.363 -0.026 20 0 EBADRP Cc1csc(=O)n1CC[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171205196 832550538 /nfs/dbraw/zinc/55/05/38/832550538.db2.gz QLBFQPLMGKPXFJ-UHFFFAOYSA-N 2 0 344.481 -0.108 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171215913 832551538 /nfs/dbraw/zinc/55/15/38/832551538.db2.gz GDCMDJNXQLSZSO-CQSZACIVSA-N 2 0 348.513 -0.247 20 0 EBADRP CC(C)N1CC[C@@H]([NH2+]CCCNC(=O)COCC[NH+](C)C)C1=O ZINC001171215883 832551601 /nfs/dbraw/zinc/55/16/01/832551601.db2.gz FKMAVIDECFEOMA-CQSZACIVSA-N 2 0 328.457 -0.330 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2)NC[C@H]1CCOC1 ZINC001171303366 832555570 /nfs/dbraw/zinc/55/55/70/832555570.db2.gz HOCJEBAPOAJJHH-CQSZACIVSA-N 2 0 338.452 -0.669 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171303186 832555734 /nfs/dbraw/zinc/55/57/34/832555734.db2.gz AAYCBZZGZNQMGG-LLVKDONJSA-N 2 0 325.413 -0.978 20 0 EBADRP COC[C@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171294693 832555955 /nfs/dbraw/zinc/55/59/55/832555955.db2.gz VWBJVUCQJRRQGS-LSDHHAIUSA-N 2 0 343.468 -0.410 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)c1c[nH+]ccc1N(C)C)C(=O)NC(N)=O ZINC001171363399 832558862 /nfs/dbraw/zinc/55/88/62/832558862.db2.gz VHYROLMLQYZOTR-SNVBAGLBSA-N 2 0 336.396 -0.560 20 0 EBADRP CN(CC[NH2+]CCCNC(=O)CCCC[NH+](C)C)S(C)(=O)=O ZINC001171579308 832565853 /nfs/dbraw/zinc/56/58/53/832565853.db2.gz TXFGVVGIKNAYCV-UHFFFAOYSA-N 2 0 336.502 -0.294 20 0 EBADRP C[NH+](C)CCCCC(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001171578967 832566163 /nfs/dbraw/zinc/56/61/63/832566163.db2.gz NSGGVRIGBMZVDA-UHFFFAOYSA-N 2 0 341.456 -0.244 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@H](C)C(=O)NCCCOC ZINC001171770591 832575900 /nfs/dbraw/zinc/57/59/00/832575900.db2.gz UGFKQWFQTJENSJ-CQSZACIVSA-N 2 0 330.473 -0.035 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001171770572 832575973 /nfs/dbraw/zinc/57/59/73/832575973.db2.gz SXZGBJXMZUPEPO-UHFFFAOYSA-N 2 0 339.440 -0.978 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001176057169 832654407 /nfs/dbraw/zinc/65/44/07/832654407.db2.gz MSDYRMRZXYDNCG-ZIAGYGMSSA-N 2 0 331.482 -0.141 20 0 EBADRP Cn1cc(N2CC[C@H]([NH2+]CCCNC(=O)[C@H]3CC[N@H+](C)C3)C2=O)cn1 ZINC001176057687 832654441 /nfs/dbraw/zinc/65/44/41/832654441.db2.gz QZMHBZLVPZJACY-ZFWWWQNUSA-N 2 0 348.451 -0.427 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176071811 832655651 /nfs/dbraw/zinc/65/56/51/832655651.db2.gz IIZGCCDCMCLQAO-GFCCVEGCSA-N 2 0 327.429 -0.730 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176110303 832658058 /nfs/dbraw/zinc/65/80/58/832658058.db2.gz KEJCJESEGYBOHO-UHFFFAOYSA-N 2 0 334.486 -0.540 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)C[NH+]1CCCC1)NC[C@@H]1CCOC1 ZINC001176110299 832658061 /nfs/dbraw/zinc/65/80/61/832658061.db2.gz KAGOQGJUFCDSJD-AWEZNQCLSA-N 2 0 326.441 -0.669 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)C[NH+]1CCCC1)C(=O)NC[C@@H]1CCCO1 ZINC001176118378 832658223 /nfs/dbraw/zinc/65/82/23/832658223.db2.gz NQOPOJSYIZUVPG-GJZGRUSLSA-N 2 0 340.468 -0.138 20 0 EBADRP C[C@H](CCCC[NH2+][C@@H]1CCNC1=O)NC(=O)COCC[NH+](C)C ZINC001176156012 832660185 /nfs/dbraw/zinc/66/01/85/832660185.db2.gz FGUDROBLQYCOIE-ZIAGYGMSSA-N 2 0 328.457 -0.282 20 0 EBADRP C[C@@H](CCCC[NH2+][C@H]1CCNC1=O)NC(=O)COCC[NH+](C)C ZINC001176156004 832660524 /nfs/dbraw/zinc/66/05/24/832660524.db2.gz FGUDROBLQYCOIE-KBPBESRZSA-N 2 0 328.457 -0.282 20 0 EBADRP C[C@@H](CCCC[NH2+]Cc1nnnn1C)NC(=O)COCC[NH+](C)C ZINC001176165264 832660997 /nfs/dbraw/zinc/66/09/97/832660997.db2.gz KPBIXWJMOGOSQW-ZDUSSCGKSA-N 2 0 341.460 -0.447 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001176170055 832661251 /nfs/dbraw/zinc/66/12/51/832661251.db2.gz SCHIQMZQPCLSST-CYBMUJFWSA-N 2 0 335.470 -0.905 20 0 EBADRP Cn1[nH]c(C[NH2+]CCCNC(=O)CCC[NH+]2CCCCC2)nc1=O ZINC001176318006 832666415 /nfs/dbraw/zinc/66/64/15/832666415.db2.gz JDODTNDCQWTVGW-UHFFFAOYSA-N 2 0 338.456 -0.030 20 0 EBADRP C[C@H](CCCC[NH2+]CCNS(C)(=O)=O)NC(=O)C[NH+]1CCCC1 ZINC001176591773 832680322 /nfs/dbraw/zinc/68/03/22/832680322.db2.gz ORBWSPWKIOOAKO-CQSZACIVSA-N 2 0 348.513 -0.104 20 0 EBADRP C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176600773 832681797 /nfs/dbraw/zinc/68/17/97/832681797.db2.gz PMMANRMGQYMQCX-UONOGXRCSA-N 2 0 328.457 -0.295 20 0 EBADRP O=C(CC[NH+]1CCCCC1)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001176931253 832712919 /nfs/dbraw/zinc/71/29/19/832712919.db2.gz XVBNGEBJKABGBO-UHFFFAOYSA-N 2 0 340.468 -0.183 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001176986849 832726112 /nfs/dbraw/zinc/72/61/12/832726112.db2.gz XBQQYQMBXVTCNI-OAHLLOKOSA-N 2 0 345.484 -0.021 20 0 EBADRP C[C@H]([NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)NC(N)=O ZINC001178045865 832816197 /nfs/dbraw/zinc/81/61/97/832816197.db2.gz XPENYZSRBCYSEE-QWHCGFSZSA-N 2 0 341.456 -0.070 20 0 EBADRP NC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001178535438 832879142 /nfs/dbraw/zinc/87/91/42/832879142.db2.gz JNTVWGUWIQSIFN-KGLIPLIRSA-N 2 0 326.441 -0.399 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)[C@@H]1C)[NH+](C)C ZINC001178985409 832938270 /nfs/dbraw/zinc/93/82/70/832938270.db2.gz IDZZBWAILLUASY-FIQHERPVSA-N 2 0 327.429 -0.511 20 0 EBADRP CC(=O)N1CCC([NH+]2CCC(C(=O)NC3(C[NH3+])COC3)CC2)CC1 ZINC001179014400 832941028 /nfs/dbraw/zinc/94/10/28/832941028.db2.gz GMVATHXXKJRCDJ-UHFFFAOYSA-N 2 0 338.452 -0.447 20 0 EBADRP NC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001179080800 832950767 /nfs/dbraw/zinc/95/07/67/832950767.db2.gz KINBSNPOIOHHOV-UUCFBXCCSA-N 2 0 338.452 -0.399 20 0 EBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C)C(=O)NC(N)=O ZINC001179303505 832968368 /nfs/dbraw/zinc/96/83/68/832968368.db2.gz FSJQFBDMTBCJOT-FIQHERPVSA-N 2 0 325.413 -0.757 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001179337520 832970568 /nfs/dbraw/zinc/97/05/68/832970568.db2.gz PSTSAJWLOAZKAN-AVGNSLFASA-N 2 0 339.440 -0.495 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)CCC[NH+](C)C ZINC001179439373 832978253 /nfs/dbraw/zinc/97/82/53/832978253.db2.gz MGAKWXJYNMQEGM-KBPBESRZSA-N 2 0 325.457 -0.068 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C)C(=O)NC(N)=O ZINC001179439822 832979177 /nfs/dbraw/zinc/97/91/77/832979177.db2.gz ZIWSZDAWIKGCIX-WOPDTQHZSA-N 2 0 327.429 -0.509 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179472125 832981986 /nfs/dbraw/zinc/98/19/86/832981986.db2.gz HBKJHSSMHSUILN-RYUDHWBXSA-N 2 0 327.429 -0.637 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCCN2C(=O)CNC2=O)CCN1C(=O)CC[NH+](C)C ZINC001179486695 832982662 /nfs/dbraw/zinc/98/26/62/832982662.db2.gz PNPVEPMVRLIPBJ-STQMWFEESA-N 2 0 339.440 -0.541 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@@H](O)COCCOC)[C@@H]1C)[NH+](C)C ZINC001179553912 832988782 /nfs/dbraw/zinc/98/87/82/832988782.db2.gz FOHKEHNGSIOAOT-FZKCQIBNSA-N 2 0 345.484 -0.071 20 0 EBADRP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212410597 837677231 /nfs/dbraw/zinc/67/72/31/837677231.db2.gz TUUYSINLOGYNGD-OAGGEKHMSA-N 2 0 343.468 -0.195 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001187083455 833898821 /nfs/dbraw/zinc/89/88/21/833898821.db2.gz JJUHPPBXTMBNHQ-ZIAGYGMSSA-N 2 0 346.497 -0.542 20 0 EBADRP COc1nccc(C[NH2+][C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)n1 ZINC001187115538 833902532 /nfs/dbraw/zinc/90/25/32/833902532.db2.gz LFKHPOSWQICBFR-CQSZACIVSA-N 2 0 337.424 -0.246 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CCC2)C1 ZINC001187115567 833902728 /nfs/dbraw/zinc/90/27/28/833902728.db2.gz MPJVWZVIOVJGTR-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP Cn1ccc(C[NH2+][C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)cc1=O ZINC001187115513 833902775 /nfs/dbraw/zinc/90/27/75/833902775.db2.gz KCOIFMXXOWPOCC-OAHLLOKOSA-N 2 0 336.436 -0.346 20 0 EBADRP CCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115333 833903275 /nfs/dbraw/zinc/90/32/75/833903275.db2.gz JFMVSZZHUIJQTF-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP CN(CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)S(C)(=O)=O ZINC001187122661 833903846 /nfs/dbraw/zinc/90/38/46/833903846.db2.gz YHTYHODNTXASBW-CYBMUJFWSA-N 2 0 344.481 -0.836 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187232159 833912203 /nfs/dbraw/zinc/91/22/03/833912203.db2.gz WJDNYGIMHOKANG-CHWSQXEVSA-N 2 0 341.456 -0.247 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]C[C@H](O)COCCOC)C1 ZINC001187298315 833917168 /nfs/dbraw/zinc/91/71/68/833917168.db2.gz BHORGCDJLOMPAZ-CVEARBPZSA-N 2 0 345.484 -0.067 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001187307167 833918971 /nfs/dbraw/zinc/91/89/71/833918971.db2.gz XKWKAERONYBFTN-CHWSQXEVSA-N 2 0 341.456 -0.247 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCNS(=O)(=O)CC)C1 ZINC001187328748 833921242 /nfs/dbraw/zinc/92/12/42/833921242.db2.gz KSHUHECQSQILNH-CYBMUJFWSA-N 2 0 334.486 -0.542 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3cnccn3)C2)C1 ZINC001187817817 833970161 /nfs/dbraw/zinc/97/01/61/833970161.db2.gz JZPFKAWIYBQJJR-QWHCGFSZSA-N 2 0 332.408 -0.443 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3cnccn3)C2)C1 ZINC001187817816 833970658 /nfs/dbraw/zinc/97/06/58/833970658.db2.gz JZPFKAWIYBQJJR-CHWSQXEVSA-N 2 0 332.408 -0.443 20 0 EBADRP C[C@@H](C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)CS(C)(=O)=O ZINC001187842812 833973159 /nfs/dbraw/zinc/97/31/59/833973159.db2.gz PKKOXHIITYMAPI-UONOGXRCSA-N 2 0 331.482 -0.047 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001187851979 833973551 /nfs/dbraw/zinc/97/35/51/833973551.db2.gz XZFZCZILYQHEFV-UKRRQHHQSA-N 2 0 338.452 -0.576 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187842820 833973775 /nfs/dbraw/zinc/97/37/75/833973775.db2.gz POMPDCHHSMSSIF-CQSZACIVSA-N 2 0 346.497 -0.446 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001190675473 834315555 /nfs/dbraw/zinc/31/55/55/834315555.db2.gz OMPNBZZZJUWVGU-AAEUAGOBSA-N 2 0 339.440 -0.413 20 0 EBADRP CO[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378451 837761632 /nfs/dbraw/zinc/76/16/32/837761632.db2.gz RFEUWGQVAQNLBE-MGPQQGTHSA-N 2 0 336.440 -0.468 20 0 EBADRP CO[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378459 837761718 /nfs/dbraw/zinc/76/17/18/837761718.db2.gz RPGMOUVMHRHKFW-ARFHVFGLSA-N 2 0 343.468 -0.051 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)[C@@H](C)C(=O)NC(N)=O)C1 ZINC001190996461 834392944 /nfs/dbraw/zinc/39/29/44/834392944.db2.gz FBEUTKUQURQUJA-RYUDHWBXSA-N 2 0 341.456 -0.167 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)[C@H](C)C(=O)NC(N)=O)C1 ZINC001190996459 834393173 /nfs/dbraw/zinc/39/31/73/834393173.db2.gz FBEUTKUQURQUJA-NEPJUHHUSA-N 2 0 341.456 -0.167 20 0 EBADRP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001213456004 837778566 /nfs/dbraw/zinc/77/85/66/837778566.db2.gz YUKXJKFSHJOLTM-BZUAXINKSA-N 2 0 343.468 -0.315 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192027908 834594057 /nfs/dbraw/zinc/59/40/57/834594057.db2.gz AUKYSMSZGDJQFU-NWDGAFQWSA-N 2 0 339.440 -0.556 20 0 EBADRP COCCOC[C@H](O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001192253106 834631829 /nfs/dbraw/zinc/63/18/29/834631829.db2.gz PMUBEUOBPXQECI-GVDBMIGSSA-N 2 0 329.485 -0.032 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)C(=O)NC(=O)NC)C1 ZINC001192948598 834770325 /nfs/dbraw/zinc/77/03/25/834770325.db2.gz TXWRLWBBPKDAHD-STQMWFEESA-N 2 0 341.456 -0.295 20 0 EBADRP CNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001193077934 834791982 /nfs/dbraw/zinc/79/19/82/834791982.db2.gz OYLSHYHGGMTBEE-ZIAGYGMSSA-N 2 0 340.468 -0.236 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)[C@H](C)C(=O)NC(=O)NC)C1 ZINC001193643345 834921822 /nfs/dbraw/zinc/92/18/22/834921822.db2.gz SQZUPTYSMGXXCS-CHWSQXEVSA-N 2 0 341.456 -0.295 20 0 EBADRP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638363 837826714 /nfs/dbraw/zinc/82/67/14/837826714.db2.gz LECKWOINAWRACD-HUUCEWRRSA-N 2 0 329.441 -0.705 20 0 EBADRP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213638637 837827236 /nfs/dbraw/zinc/82/72/36/837827236.db2.gz XVJVLFDXGCZOCX-NUEKZKHPSA-N 2 0 343.468 -0.053 20 0 EBADRP CC(C)COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708641 835275347 /nfs/dbraw/zinc/27/53/47/835275347.db2.gz QWKBLNWJVHRIHY-BZUAXINKSA-N 2 0 345.484 -0.477 20 0 EBADRP CC(C)N1CC[C@H](N2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001195709097 835275548 /nfs/dbraw/zinc/27/55/48/835275548.db2.gz WPGLWJZWYHOYHX-QLFBSQMISA-N 2 0 340.468 -0.501 20 0 EBADRP C[C@@H](C(=O)NC(C)(C)C)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708050 835275571 /nfs/dbraw/zinc/27/55/71/835275571.db2.gz CYLLYVUPICQGFF-BFHYXJOUSA-N 2 0 342.484 -0.207 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1O ZINC001195708245 835276142 /nfs/dbraw/zinc/27/61/42/835276142.db2.gz KAOYQHUOFDWIOG-ZIAGYGMSSA-N 2 0 326.441 -0.984 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001195859113 835301184 /nfs/dbraw/zinc/30/11/84/835301184.db2.gz FKBPLBWBEMCJNR-BFHYXJOUSA-N 2 0 326.441 -0.984 20 0 EBADRP C[C@H]1CN(C(=O)CN2CCCN(C(=O)CC[NH+](C)C)CC2)CCO1 ZINC001197048690 835498468 /nfs/dbraw/zinc/49/84/68/835498468.db2.gz IXOVLWOCBPIAAO-HNNXBMFYSA-N 2 0 340.468 -0.280 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001197404617 835551709 /nfs/dbraw/zinc/55/17/09/835551709.db2.gz SNWIHRSSVXKDDH-BZUAXINKSA-N 2 0 343.468 -0.725 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1O ZINC001197825983 835613663 /nfs/dbraw/zinc/61/36/63/835613663.db2.gz KDQHOBAWTWFOJH-CHWSQXEVSA-N 2 0 335.395 -0.229 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCCOC)C[C@H]1O ZINC001198003807 835630291 /nfs/dbraw/zinc/63/02/91/835630291.db2.gz HNLRKIXHIZHIGK-HUUCEWRRSA-N 2 0 331.457 -0.457 20 0 EBADRP CN1CCN(c2ccncc2C(=O)N(CCCC[NH3+])C(N)=[NH2+])CC1 ZINC001199360952 835799738 /nfs/dbraw/zinc/79/97/38/835799738.db2.gz OIEWFTNSFHLRFO-UHFFFAOYSA-N 2 0 333.440 -0.092 20 0 EBADRP CC(=O)NCCOCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001199788425 835861613 /nfs/dbraw/zinc/86/16/13/835861613.db2.gz PWLGOYHANDVODS-INIZCTEOSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001200722381 836022372 /nfs/dbraw/zinc/02/23/72/836022372.db2.gz WIUMHDUWQIUPSO-KGLIPLIRSA-N 2 0 326.441 -0.447 20 0 EBADRP CC[C@H](C(=O)N1CCCO[C@H](C[NH2+]CCn2cncn2)C1)[NH+](C)C ZINC001200796517 836037978 /nfs/dbraw/zinc/03/79/78/836037978.db2.gz ZJYMIYIQJIKKAU-HUUCEWRRSA-N 2 0 338.456 -0.175 20 0 EBADRP CN(CCC(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1)c1cc[nH+]cc1 ZINC001200843080 836046053 /nfs/dbraw/zinc/04/60/53/836046053.db2.gz WUBOZXPBRPOMFF-HNNXBMFYSA-N 2 0 349.435 -0.400 20 0 EBADRP C[N@H+](CC(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1)C1CCC1 ZINC001201066288 836088024 /nfs/dbraw/zinc/08/80/24/836088024.db2.gz JSGVOZFSDCVASA-UHFFFAOYSA-N 2 0 346.497 -0.400 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001201246682 836117945 /nfs/dbraw/zinc/11/79/45/836117945.db2.gz UJERGDJVPDCSMB-MELADBBJSA-N 2 0 326.441 -0.591 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001201277312 836122079 /nfs/dbraw/zinc/12/20/79/836122079.db2.gz QBQVIVNMBZQKGA-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCCO[C@@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001201277798 836122212 /nfs/dbraw/zinc/12/22/12/836122212.db2.gz XPTPSUIYZUNVDR-AWEZNQCLSA-N 2 0 349.497 -0.420 20 0 EBADRP C[C@@H](COCC(=O)N1CCCO[C@H](C[NH2+]CCO)C1)[NH+]1CCCC1 ZINC001201429971 836145451 /nfs/dbraw/zinc/14/54/51/836145451.db2.gz JPTSCKYEFQXEEX-JKSUJKDBSA-N 2 0 343.468 -0.313 20 0 EBADRP NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001201440759 836147402 /nfs/dbraw/zinc/14/74/02/836147402.db2.gz ICDLJNYLTSPHNR-UHFFFAOYSA-N 2 0 337.424 -0.610 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCCO[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001201678795 836174382 /nfs/dbraw/zinc/17/43/82/836174382.db2.gz OWQTVGNPTWDUEM-HNNXBMFYSA-N 2 0 338.456 -0.173 20 0 EBADRP CC[C@H]([NH2+]C[C@H]1CN(C(=O)C[NH+](CC)CC)CCCO1)C(N)=O ZINC001201677775 836174448 /nfs/dbraw/zinc/17/44/48/836174448.db2.gz DCKYYJWDUBUJNY-KBPBESRZSA-N 2 0 328.457 -0.201 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCCO[C@H](C[NH2+]CCn2cncn2)C1 ZINC001201808882 836196385 /nfs/dbraw/zinc/19/63/85/836196385.db2.gz IMOSSWISFQQGBH-OAHLLOKOSA-N 2 0 338.456 -0.173 20 0 EBADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCCO1)C(N)=O ZINC001201891092 836211712 /nfs/dbraw/zinc/21/17/12/836211712.db2.gz JIVUFQYHBHWDCJ-UONOGXRCSA-N 2 0 328.457 -0.201 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001201908958 836213498 /nfs/dbraw/zinc/21/34/98/836213498.db2.gz SFNXVZNFDYCGOS-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCCO1 ZINC001201908634 836214069 /nfs/dbraw/zinc/21/40/69/836214069.db2.gz NRIWGCGLIYUJLQ-HZPDHXFCSA-N 2 0 345.484 -0.067 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCCO[C@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001201931657 836217844 /nfs/dbraw/zinc/21/78/44/836217844.db2.gz NPZHLUYJDIYTLN-CQSZACIVSA-N 2 0 349.497 -0.420 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CCn3cncn3)C2)C1 ZINC001202058283 836244590 /nfs/dbraw/zinc/24/45/90/836244590.db2.gz JPOMJLNMJHJDQF-HUUCEWRRSA-N 2 0 336.440 -0.563 20 0 EBADRP CCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202060537 836246346 /nfs/dbraw/zinc/24/63/46/836246346.db2.gz ZLZDMTAKERIKPO-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202060245 836247339 /nfs/dbraw/zinc/24/73/39/836247339.db2.gz VYJBMQYUOJBKCB-KGLIPLIRSA-N 2 0 326.441 -0.767 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC)C1 ZINC001202147791 836260864 /nfs/dbraw/zinc/26/08/64/836260864.db2.gz JWAFPTQGEDPCLL-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001202147792 836261659 /nfs/dbraw/zinc/26/16/59/836261659.db2.gz JWAFPTQGEDPCLL-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]([NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1)C(=O)NC(N)=O ZINC001202504698 836308121 /nfs/dbraw/zinc/30/81/21/836308121.db2.gz VPDIOOBZPQQSBB-VXGBXAGGSA-N 2 0 339.440 -0.508 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1 ZINC001202496521 836308879 /nfs/dbraw/zinc/30/88/79/836308879.db2.gz UJSKXBOHEKTKEY-ZDUSSCGKSA-N 2 0 346.497 -0.400 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC([NH2+]C[C@H](O)COCCOC)CC1 ZINC001203010835 836384410 /nfs/dbraw/zinc/38/44/10/836384410.db2.gz WTAZVYYVDJLJAH-INIZCTEOSA-N 2 0 345.484 -0.067 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC([NH2+][C@H]2CCCNC2=O)CC1 ZINC001203349377 836423684 /nfs/dbraw/zinc/42/36/84/836423684.db2.gz MCEYVPVVHQGWBU-AWEZNQCLSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@H]([NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1)c1nnnn1C ZINC001203349424 836424416 /nfs/dbraw/zinc/42/44/16/836424416.db2.gz OGQZMHKLIXVKKK-LBPRGKRZSA-N 2 0 339.444 -0.570 20 0 EBADRP C[C@H]([NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1)C(=O)N(C)C ZINC001203355379 836424641 /nfs/dbraw/zinc/42/46/41/836424641.db2.gz RQQFGXGVQYOCPM-ZDUSSCGKSA-N 2 0 328.457 -0.378 20 0 EBADRP C[C@@H]([NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1)C(=O)NC(N)=O ZINC001203354678 836424664 /nfs/dbraw/zinc/42/46/64/836424664.db2.gz FLVDIYZNPXYTOF-LLVKDONJSA-N 2 0 337.424 -0.754 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C12CCC2 ZINC001203358488 836425108 /nfs/dbraw/zinc/42/51/08/836425108.db2.gz JYDSBNHNPRSMKQ-KGLIPLIRSA-N 2 0 337.468 -0.020 20 0 EBADRP CN(C)C(=O)C[NH2+][C@@H]1C[C@H](NC(=O)COCC[NH+](C)C)C12CCC2 ZINC001203614069 836453052 /nfs/dbraw/zinc/45/30/52/836453052.db2.gz HPOZGRZCVHYGML-KGLIPLIRSA-N 2 0 340.468 -0.330 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]CCNS(C)(=O)=O)CC2)C1 ZINC001203699924 836463858 /nfs/dbraw/zinc/46/38/58/836463858.db2.gz XPCYQRJGYCPCAU-LBPRGKRZSA-N 2 0 332.470 -0.932 20 0 EBADRP CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001203708865 836464226 /nfs/dbraw/zinc/46/42/26/836464226.db2.gz FXXQHKQNXZQDBF-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001203924660 836488591 /nfs/dbraw/zinc/48/85/91/836488591.db2.gz FSRNHEWQJYEAFF-UHFFFAOYSA-N 2 0 348.513 -0.154 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC([NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001203933237 836488684 /nfs/dbraw/zinc/48/86/84/836488684.db2.gz WIDUMBVZCOUBNE-LLVKDONJSA-N 2 0 327.429 -0.509 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001204799535 836530076 /nfs/dbraw/zinc/53/00/76/836530076.db2.gz ZTUVBBLEJWYYEB-GFCCVEGCSA-N 2 0 325.413 -0.896 20 0 EBADRP C[NH+](C)CCC(=O)N1CC2(CC[NH+](CCO)CC2)[C@H]2COC[C@H]21 ZINC001205511055 836574594 /nfs/dbraw/zinc/57/45/94/836574594.db2.gz VDFQKHALULEKOF-LSDHHAIUSA-N 2 0 325.453 -0.130 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC(C[NH2+]CCNS(C)(=O)=O)CC1 ZINC001206138101 836626127 /nfs/dbraw/zinc/62/61/27/836626127.db2.gz HJGQTQRZHVJNPJ-UHFFFAOYSA-N 2 0 334.486 -0.685 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001206275616 836634960 /nfs/dbraw/zinc/63/49/60/836634960.db2.gz XBDKCQVFYBUCGB-LBPRGKRZSA-N 2 0 339.440 -0.506 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC(C[NH2+]CCOCCO)CC1 ZINC001206872679 836686058 /nfs/dbraw/zinc/68/60/58/836686058.db2.gz POLMRBINZGSLOP-UHFFFAOYSA-N 2 0 331.457 -0.598 20 0 EBADRP O=C(N1CCC(C[NH2+]CCOCCO)CC1)C12CC[NH+](CC1)C2 ZINC001206875003 836687907 /nfs/dbraw/zinc/68/79/07/836687907.db2.gz RQFNTUFCDFHHBC-UHFFFAOYSA-N 2 0 325.453 -0.081 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001206928824 836716257 /nfs/dbraw/zinc/71/62/57/836716257.db2.gz JXFREBQDSFKEEA-CYBMUJFWSA-N 2 0 339.440 -0.778 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCC(C[NH2+]CCN2CCNC2=O)CC1 ZINC001206929177 836716268 /nfs/dbraw/zinc/71/62/68/836716268.db2.gz XQWXSNOHYAILIT-UHFFFAOYSA-N 2 0 337.468 -0.064 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001206928825 836716495 /nfs/dbraw/zinc/71/64/95/836716495.db2.gz JXFREBQDSFKEEA-ZDUSSCGKSA-N 2 0 339.440 -0.778 20 0 EBADRP C[N@H+](CCN1CC[NH+](C)CC1)CC1CCN(S(C)(=O)=O)CC1 ZINC001207447553 836800149 /nfs/dbraw/zinc/80/01/49/836800149.db2.gz CTASOYYKXQBLGX-UHFFFAOYSA-N 2 0 332.514 -0.163 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001207683646 836844003 /nfs/dbraw/zinc/84/40/03/836844003.db2.gz FVFXVIDJCKBAFC-ZIAGYGMSSA-N 2 0 346.497 -0.400 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001208070480 836940633 /nfs/dbraw/zinc/94/06/33/836940633.db2.gz NDHOWEVKZYZASU-GRYCIOLGSA-N 2 0 325.413 -0.898 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001208372968 837010389 /nfs/dbraw/zinc/01/03/89/837010389.db2.gz FKKWNOVCKOCPSX-KBPBESRZSA-N 2 0 348.513 -0.298 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208423930 837028300 /nfs/dbraw/zinc/02/83/00/837028300.db2.gz RDGOSQPSWNFNQZ-RYUDHWBXSA-N 2 0 325.413 -0.754 20 0 EBADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208441434 837041033 /nfs/dbraw/zinc/04/10/33/837041033.db2.gz GCBLNKFMWJJYNH-ZIAGYGMSSA-N 2 0 338.452 -0.086 20 0 EBADRP C[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208493140 837065797 /nfs/dbraw/zinc/06/57/97/837065797.db2.gz USMUZBKIEINPFJ-QLFBSQMISA-N 2 0 340.468 -0.642 20 0 EBADRP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001208638592 837095078 /nfs/dbraw/zinc/09/50/78/837095078.db2.gz JCXOIIFAEFURRG-YRTQGLMCSA-N 2 0 336.436 -0.824 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001209244375 837144313 /nfs/dbraw/zinc/14/43/13/837144313.db2.gz ZNHSAHOZZCVUIZ-RWMBFGLXSA-N 2 0 339.440 -0.508 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001209323924 837155895 /nfs/dbraw/zinc/15/58/95/837155895.db2.gz NHSHSKIAILZJCI-ZDUSSCGKSA-N 2 0 339.440 -0.539 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001209323002 837155972 /nfs/dbraw/zinc/15/59/72/837155972.db2.gz CTTORSHRMAJEDQ-AWEZNQCLSA-N 2 0 325.457 -0.066 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]CC(=O)Nc2cnccn2)C1 ZINC001209444428 837167740 /nfs/dbraw/zinc/16/77/40/837167740.db2.gz GOJGUEUKQRMZFZ-ZDUSSCGKSA-N 2 0 334.424 -0.053 20 0 EBADRP CN(CC[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)S(C)(=O)=O ZINC001209456115 837169693 /nfs/dbraw/zinc/16/96/93/837169693.db2.gz XSSZQGFPFUGUKP-CYBMUJFWSA-N 2 0 334.486 -0.590 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1)[NH+](C)C ZINC001209669348 837188447 /nfs/dbraw/zinc/18/84/47/837188447.db2.gz PFMRNHFQYGHIFA-KGLIPLIRSA-N 2 0 348.513 -0.201 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCNS(=O)(=O)CC)C1)[NH+](C)C ZINC001209669800 837188461 /nfs/dbraw/zinc/18/84/61/837188461.db2.gz UOTLUPYOUBKEOE-KGLIPLIRSA-N 2 0 348.513 -0.154 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001210217151 837256884 /nfs/dbraw/zinc/25/68/84/837256884.db2.gz DKUTZOROSQVALH-CYBMUJFWSA-N 2 0 334.486 -0.542 20 0 EBADRP CC1CC[NH+](CC(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001210282791 837265416 /nfs/dbraw/zinc/26/54/16/837265416.db2.gz KCKKRLDPSRSIHZ-ZDUSSCGKSA-N 2 0 339.440 -0.506 20 0 EBADRP C[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210322716 837272041 /nfs/dbraw/zinc/27/20/41/837272041.db2.gz VMKNZOCHPQTROL-UKRRQHHQSA-N 2 0 340.468 -0.473 20 0 EBADRP O[C@@H]1C[NH2+]CCN(Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)C1 ZINC001210400835 837279427 /nfs/dbraw/zinc/27/94/27/837279427.db2.gz UPPWSUVUHQNUFX-OAHLLOKOSA-N 2 0 330.436 -0.038 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001210676317 837319060 /nfs/dbraw/zinc/31/90/60/837319060.db2.gz DXRVPVZTAWPIFI-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211082284 837383082 /nfs/dbraw/zinc/38/30/82/837383082.db2.gz RJDBEIWYDAIHHV-LBPRGKRZSA-N 2 0 325.413 -0.882 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1OC ZINC001213763213 837862752 /nfs/dbraw/zinc/86/27/52/837862752.db2.gz HWYRVUPQZAIMDR-HUUCEWRRSA-N 2 0 331.457 -0.457 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](O)COC)C[C@H]1OC ZINC001213763232 837864088 /nfs/dbraw/zinc/86/40/88/837864088.db2.gz JLPWYBPBQYFJLN-RBSFLKMASA-N 2 0 331.457 -0.459 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](CC[NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001318853214 838041245 /nfs/dbraw/zinc/04/12/45/838041245.db2.gz BJIMRJNNPCGHRZ-QWHCGFSZSA-N 2 0 339.440 -0.649 20 0 EBADRP C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319460529 838132138 /nfs/dbraw/zinc/13/21/38/838132138.db2.gz OCHWKOAWGHFARD-BFHYXJOUSA-N 2 0 348.513 -0.346 20 0 EBADRP C[C@H]1C[N@H+](CCCN2C(=O)CNC2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC001319716604 838170669 /nfs/dbraw/zinc/17/06/69/838170669.db2.gz IOLFSIWPHFJDFZ-GJZGRUSLSA-N 2 0 337.468 -0.114 20 0 EBADRP C[C@@H](CC[NH2+]CCN1C(=O)CNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001320544855 838787743 /nfs/dbraw/zinc/78/77/43/838787743.db2.gz VCZDWCQDCMRGLV-LBPRGKRZSA-N 2 0 339.440 -0.636 20 0 EBADRP CCN(CC[NH2+]CC(=O)NC(=O)NC)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001320734730 838826152 /nfs/dbraw/zinc/82/61/52/838826152.db2.gz MKQZYUANKSWSDK-ZDUSSCGKSA-N 2 0 341.456 -0.247 20 0 EBADRP CCN(CC[NH2+]CC(=O)NC(=O)NC)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001320841295 838846882 /nfs/dbraw/zinc/84/68/82/838846882.db2.gz SSGDQXDZAGCHEM-GFCCVEGCSA-N 2 0 327.429 -0.778 20 0 EBADRP CN1CCC([NH+]2CCC(NC(=O)CN3C(=O)CNC3=O)CC2)CC1 ZINC001320872469 838852909 /nfs/dbraw/zinc/85/29/09/838852909.db2.gz NDTJTLMXEVLFDT-UHFFFAOYSA-N 2 0 337.424 -0.787 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001321394433 838980749 /nfs/dbraw/zinc/98/07/49/838980749.db2.gz WODQYJOUWNBXBB-ZZKXABKFSA-N 2 0 337.424 -0.812 20 0 EBADRP CN(CCC[NH2+]C[C@H](O)CN1CCCC1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001322442129 839182645 /nfs/dbraw/zinc/18/26/45/839182645.db2.gz JFXYDYNJFWNPFS-LSDHHAIUSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC2([NH2+]CCN3C(=O)CCC3=O)CC2)CC1 ZINC001323526407 839464119 /nfs/dbraw/zinc/46/41/19/839464119.db2.gz ZEPTZKUUYUIINH-UHFFFAOYSA-N 2 0 336.436 -0.284 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CSC1(C)C ZINC001324882483 839731058 /nfs/dbraw/zinc/73/10/58/839731058.db2.gz JQUNRCUCNQDSFL-LBPRGKRZSA-N 2 0 330.498 -0.052 20 0 EBADRP CCOCCCNC(=O)C1CC[NH+](CC(=O)N2CC[NH2+]CC2)CC1 ZINC001326277066 840078562 /nfs/dbraw/zinc/07/85/62/840078562.db2.gz HKZLIJIQROHAOM-UHFFFAOYSA-N 2 0 340.468 -0.327 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001326364342 840092199 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0 340.468 -0.295 20 0 EBADRP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001327898939 840543327 /nfs/dbraw/zinc/54/33/27/840543327.db2.gz DFPDVYDDNOCDST-STQMWFEESA-N 2 0 346.497 -0.686 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001327940699 840553866 /nfs/dbraw/zinc/55/38/66/840553866.db2.gz CCOILQGYAYTWNA-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001328452776 840679680 /nfs/dbraw/zinc/67/96/80/840679680.db2.gz ZPESWZOOEVGLAC-MELADBBJSA-N 2 0 340.468 -0.155 20 0 EBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001328731925 840736963 /nfs/dbraw/zinc/73/69/63/840736963.db2.gz GKFLPXFJWNTBEX-BFHYXJOUSA-N 2 0 326.441 -0.530 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC1CC(C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001328961686 840800370 /nfs/dbraw/zinc/80/03/70/840800370.db2.gz UVMIACCHHPWXTQ-UHFFFAOYSA-N 2 0 339.440 -0.637 20 0 EBADRP CC1[C@H](C(=O)NCC[NH+]2CC=CC2)[C@H]1C(=O)NCC[NH+]1CC=CC1 ZINC001328995388 840811005 /nfs/dbraw/zinc/81/10/05/840811005.db2.gz BVDXJZHPFKGXAN-HOTGVXAUSA-N 2 0 332.448 -0.156 20 0 EBADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001329093654 840839969 /nfs/dbraw/zinc/83/99/69/840839969.db2.gz KAJBBMZYNAGOMP-CYBMUJFWSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001329148064 840857399 /nfs/dbraw/zinc/85/73/99/840857399.db2.gz PMVCMMQPMRCXGU-CHWSQXEVSA-N 2 0 348.513 -0.250 20 0 EBADRP C[C@@H]([NH2+]CCNS(C)(=O)=O)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001329170270 840862781 /nfs/dbraw/zinc/86/27/81/840862781.db2.gz IMTBAGHTNLPAFL-NEPJUHHUSA-N 2 0 332.470 -0.886 20 0 EBADRP CN(CC(F)F)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001329353355 840900576 /nfs/dbraw/zinc/90/05/76/840900576.db2.gz RXTHOXUMQMPDEN-VXGBXAGGSA-N 2 0 334.411 -0.092 20 0 EBADRP CC[NH+](CC)C1CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC001329609128 840964303 /nfs/dbraw/zinc/96/43/03/840964303.db2.gz QOAHAAMRFKJUPT-UHFFFAOYSA-N 2 0 328.457 -0.247 20 0 EBADRP C[C@@H]([NH2+]CCCOC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(N)=O ZINC001329773247 841014753 /nfs/dbraw/zinc/01/47/53/841014753.db2.gz ISWMJYYKJZPMIJ-HIFRSBDPSA-N 2 0 340.468 -0.058 20 0 EBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001330568293 841237451 /nfs/dbraw/zinc/23/74/51/841237451.db2.gz SAIFIFHYKSQHGX-ZIAGYGMSSA-N 2 0 337.468 -0.827 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC001330593161 841242560 /nfs/dbraw/zinc/24/25/60/841242560.db2.gz YSURSCSEHIHAET-OAHLLOKOSA-N 2 0 340.468 -0.138 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCO1 ZINC001331115199 841338879 /nfs/dbraw/zinc/33/88/79/841338879.db2.gz KZXAWSUNMJROMO-SOUVJXGZSA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001331147362 841354047 /nfs/dbraw/zinc/35/40/47/841354047.db2.gz UOXJMXWBOXWATB-HZSPNIEDSA-N 2 0 337.468 -0.781 20 0 EBADRP COCC[NH2+]CCNC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001331396081 841402228 /nfs/dbraw/zinc/40/22/28/841402228.db2.gz OROZELPMVCHWNO-UHFFFAOYSA-N 2 0 327.473 -0.356 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001331616905 841441021 /nfs/dbraw/zinc/44/10/21/841441021.db2.gz DYSRTYABLRQPNN-CABCVRRESA-N 2 0 339.484 -0.484 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCc2cn3c(n2)SCC3)CC1 ZINC001331969178 841540223 /nfs/dbraw/zinc/54/02/23/841540223.db2.gz BJKBZTCFZMNOQO-AWEZNQCLSA-N 2 0 325.482 -0.271 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC001332092878 841569905 /nfs/dbraw/zinc/56/99/05/841569905.db2.gz GRGLYIBRZCKIMN-HNNXBMFYSA-N 2 0 349.483 -0.040 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CCCN1CCCC1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001332606506 841688092 /nfs/dbraw/zinc/68/80/92/841688092.db2.gz NUGSVXCTJHTZQP-GJZGRUSLSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@@H]([NH3+])CC(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 ZINC001332976323 841773217 /nfs/dbraw/zinc/77/32/17/841773217.db2.gz OUVFOPGJPNQGCF-CQSZACIVSA-N 2 0 340.468 -0.199 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC001332976824 841774367 /nfs/dbraw/zinc/77/43/67/841774367.db2.gz SVIWPFRJHMSCCV-RHSMWYFYSA-N 2 0 340.468 -0.140 20 0 EBADRP CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C)N1CC[NH+](C)CC1 ZINC001333401166 841866468 /nfs/dbraw/zinc/86/64/68/841866468.db2.gz CIHVQPLSAOMZBE-ILXRZTDVSA-N 2 0 339.484 -0.677 20 0 EBADRP O=C(C[NH+]1CCCC1)NCC1=CC[N@H+](CCN2C(=O)CNC2=O)CC1 ZINC001333447361 841880403 /nfs/dbraw/zinc/88/04/03/841880403.db2.gz KRLBXCBEJRXDTM-UHFFFAOYSA-N 2 0 349.435 -0.618 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC001333534903 841900183 /nfs/dbraw/zinc/90/01/83/841900183.db2.gz IPFKTOJFANBQGM-ZIAGYGMSSA-N 2 0 343.447 -0.972 20 0 EBADRP CCOCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001333528970 841900635 /nfs/dbraw/zinc/90/06/35/841900635.db2.gz KCVSJSZUFRZROL-HRCADAONSA-N 2 0 340.468 -0.006 20 0 EBADRP C[NH2+]CCCN(C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001333566647 841906865 /nfs/dbraw/zinc/90/68/65/841906865.db2.gz NRFJDVFGJJCXRE-AWEZNQCLSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCCO1 ZINC001333898273 841962842 /nfs/dbraw/zinc/96/28/42/841962842.db2.gz MKSZESWQXIRHIZ-MGPQQGTHSA-N 2 0 326.441 -0.543 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1)C1CC1 ZINC001333941175 841972056 /nfs/dbraw/zinc/97/20/56/841972056.db2.gz RTJSZNPKDUSYMW-UHFFFAOYSA-N 2 0 337.449 -0.303 20 0 EBADRP [NH3+][C@H]1CCc2ncc(NC(=O)C(=O)NCC[N@@H+]3CC[C@@H](O)C3)cc2C1 ZINC001335198813 842222322 /nfs/dbraw/zinc/22/23/22/842222322.db2.gz IGTKTKPLCTYIMO-GXTWGEPZSA-N 2 0 347.419 -0.981 20 0 EBADRP [NH3+][C@@H]1CCc2ncc(NC(=O)C(=O)NCC[N@@H+]3CC[C@H](O)C3)cc2C1 ZINC001335201284 842222840 /nfs/dbraw/zinc/22/28/40/842222840.db2.gz IGTKTKPLCTYIMO-OCCSQVGLSA-N 2 0 347.419 -0.981 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)N2CCNCC[NH2+]CC2)CC1 ZINC001335375030 842268790 /nfs/dbraw/zinc/26/87/90/842268790.db2.gz JTRDZUQBLFOHCV-UHFFFAOYSA-N 2 0 326.489 -0.783 20 0 EBADRP C[NH2+]CCN(C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C(C)C ZINC001335795205 842356367 /nfs/dbraw/zinc/35/63/67/842356367.db2.gz SRQNPYIYAKLDFQ-OAHLLOKOSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H](NC(=O)C(=O)NCCN1CCC([NH3+])CC1)C1=CC[N@H+](C)CC1 ZINC001336573744 842497164 /nfs/dbraw/zinc/49/71/64/842497164.db2.gz RNFVTNAUFBDOJO-ZDUSSCGKSA-N 2 0 337.468 -0.708 20 0 EBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3COCC[NH2+]3)C[C@@H]2C1 ZINC001336659514 842531236 /nfs/dbraw/zinc/53/12/36/842531236.db2.gz UJTXLVRMCSPURK-LXTVHRRPSA-N 2 0 338.452 -0.720 20 0 EBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001337471540 842617858 /nfs/dbraw/zinc/61/78/58/842617858.db2.gz QGSNHFOQLDCBOU-CYBMUJFWSA-N 2 0 325.457 -0.922 20 0 EBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001340248247 842984533 /nfs/dbraw/zinc/98/45/33/842984533.db2.gz HYQQQPFJESKXLS-RDJZCZTQSA-N 3 0 349.479 -0.074 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001340955774 843046302 /nfs/dbraw/zinc/04/63/02/843046302.db2.gz DDZMVYDPBBEFSX-GJZGRUSLSA-N 2 0 340.468 -0.247 20 0 EBADRP C[C@@H](CC[NH+]1CCN(C)[C@H](CO)C1)CC[N@@H+]1CCN(C)[C@@H](CO)C1 ZINC001341801924 843115025 /nfs/dbraw/zinc/11/50/25/843115025.db2.gz RPMYCCWDISTSJI-NNZMDNLPSA-N 2 0 342.528 -0.381 20 0 EBADRP C[C@H](CNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001342171988 843146133 /nfs/dbraw/zinc/14/61/33/843146133.db2.gz HKKAIJHZVPOCQF-KBXIAJHMSA-N 2 0 340.468 -0.202 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001342171982 843146218 /nfs/dbraw/zinc/14/62/18/843146218.db2.gz HKKAIJHZVPOCQF-BYNSBNAKSA-N 2 0 340.468 -0.202 20 0 EBADRP CN1CC[NH2+]C[C@H]1C(=O)NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001342548291 843169101 /nfs/dbraw/zinc/16/91/01/843169101.db2.gz CNVKPCAXSOFMHD-KRWDZBQOSA-N 2 0 331.464 -0.388 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001345941167 843463050 /nfs/dbraw/zinc/46/30/50/843463050.db2.gz AHJLAVWZLCSAIE-IXDOHACOSA-N 2 0 337.512 -0.236 20 0 EBADRP CN(CCN1CC[NH2+]CC1)C(=O)CN(CC[NH3+])Cc1ccccc1 ZINC001346015839 843472460 /nfs/dbraw/zinc/47/24/60/843472460.db2.gz WQSAOIBREWJTAQ-UHFFFAOYSA-N 2 0 333.480 -0.189 20 0 EBADRP [NH3+]CCN(CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC001346029334 843473720 /nfs/dbraw/zinc/47/37/20/843473720.db2.gz XTOYQNXYIJPJRQ-GOSISDBHSA-N 2 0 345.491 -0.047 20 0 EBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@@H+]1C ZINC001346156025 843482388 /nfs/dbraw/zinc/48/23/88/843482388.db2.gz LUOYOUJZKMGGRK-OLZOCXBDSA-N 2 0 336.440 -0.018 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001346208149 843487772 /nfs/dbraw/zinc/48/77/72/843487772.db2.gz NKZBFENGRRXDKZ-OAHLLOKOSA-N 2 0 327.473 -0.358 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCN1C ZINC001348463235 843700766 /nfs/dbraw/zinc/70/07/66/843700766.db2.gz RKIRJNSLQJHSKZ-GJZGRUSLSA-N 2 0 329.489 -0.112 20 0 EBADRP C[C@H](CNC(=O)N1CCN(C)CC[N@H+](C)CC1)N1CC[NH+](C)CC1 ZINC001348662797 843727719 /nfs/dbraw/zinc/72/77/19/843727719.db2.gz FFVYAAZTDIYFTL-MRXNPFEDSA-N 2 0 340.516 -0.489 20 0 EBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC001348843527 843756895 /nfs/dbraw/zinc/75/68/95/843756895.db2.gz QEDFMPUVXVPJFU-WBVHZDCISA-N 2 0 337.512 -0.236 20 0 EBADRP CC1(C)CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]1 ZINC001348851737 843758688 /nfs/dbraw/zinc/75/86/88/843758688.db2.gz GRJKWZSWBXKCMU-UHFFFAOYSA-N 2 0 331.420 -0.059 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001349023520 843792494 /nfs/dbraw/zinc/79/24/94/843792494.db2.gz HOFVBEPZPKHWOU-KBPBESRZSA-N 2 0 326.441 -0.861 20 0 EBADRP CC[C@H](C(=O)NCCNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC001349030125 843794491 /nfs/dbraw/zinc/79/44/91/843794491.db2.gz BCTDVFLFIZQIEF-UONOGXRCSA-N 2 0 328.457 -0.473 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H](CC[NH3+])C(F)F)cn1 ZINC001349622800 843922396 /nfs/dbraw/zinc/92/23/96/843922396.db2.gz GLSGMTGSDYHGAR-SNVBAGLBSA-N 2 0 332.355 -0.518 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC001349809257 843939844 /nfs/dbraw/zinc/93/98/44/843939844.db2.gz YMNONLZJEQIFGU-ZDUSSCGKSA-N 2 0 328.457 -0.201 20 0 EBADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CC[NH+](C)C ZINC001575145858 952189804 /nfs/dbraw/zinc/18/98/04/952189804.db2.gz DYFXXKNJYCBKRB-LLVKDONJSA-N 2 0 332.412 -0.106 20 0 EBADRP C[N@H+](CCOCCO)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001691989571 1125809726 /nfs/dbraw/zinc/80/97/26/1125809726.db2.gz JPMOIDUMIZIJFJ-HNNXBMFYSA-N 2 0 325.453 -0.129 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001687261904 1125821805 /nfs/dbraw/zinc/82/18/05/1125821805.db2.gz WQPAEBJKVTVTMC-UHFFFAOYSA-N 2 0 342.484 -0.033 20 0 EBADRP CN(CC[NH2+]CC(=O)NC(=O)NC1CC1)C(=O)C[N@H+](C)C1CCC1 ZINC001691347299 1125852689 /nfs/dbraw/zinc/85/26/89/1125852689.db2.gz AXWFHQWLCROGCT-UHFFFAOYSA-N 2 0 339.440 -0.493 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCN(C)C(=O)C[NH+]1CCCC1 ZINC001408576026 1125870143 /nfs/dbraw/zinc/87/01/43/1125870143.db2.gz VIFRUYIGLCYNHF-OAHLLOKOSA-N 2 0 340.468 -0.375 20 0 EBADRP CCNC(=O)CN1CCC[C@H]1CNC(=O)CCN1CCOCC1 ZINC001481064887 1125916100 /nfs/dbraw/zinc/91/61/00/1125916100.db2.gz MKZYAOGAAHPQNY-AWEZNQCLSA-N 2 0 326.441 -0.575 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001481095903 1125920791 /nfs/dbraw/zinc/92/07/91/1125920791.db2.gz NHDNGGQXAMXSPB-NEPJUHHUSA-N 2 0 345.419 -0.701 20 0 EBADRP CCC[N@H+](CCNC(=O)CCn1ccnc1)[C@H]1CCC(=O)NC1=O ZINC001481144176 1125930581 /nfs/dbraw/zinc/93/05/81/1125930581.db2.gz WZLABGDFKAEEBN-ZDUSSCGKSA-N 2 0 335.408 -0.093 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCN(CC(=O)NC(N)=O)C2CC2)CC[N@@H+]1C ZINC001481170874 1125933212 /nfs/dbraw/zinc/93/32/12/1125933212.db2.gz VMTZDFYXEMZXHN-ZYHUDNBSSA-N 2 0 325.413 -0.898 20 0 EBADRP CN(CC[NH2+]CCN1C(=O)NC(C)(C)C1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001481215935 1125945532 /nfs/dbraw/zinc/94/55/32/1125945532.db2.gz PPPPHZXSCUCETN-GFCCVEGCSA-N 2 0 339.440 -0.541 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@](C)(C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001481951413 1126069226 /nfs/dbraw/zinc/06/92/26/1126069226.db2.gz LAPSWTLHGKYUGO-OAHLLOKOSA-N 2 0 327.429 -0.604 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@](C)(C[NH2+][C@H](C)C(=O)NC(N)=O)C1CC1 ZINC001481949817 1126069299 /nfs/dbraw/zinc/06/92/99/1126069299.db2.gz AXPONKCBMDAXLD-BDJLRTHQSA-N 2 0 341.456 -0.216 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001482008144 1126071663 /nfs/dbraw/zinc/07/16/63/1126071663.db2.gz LAAPKKFGGNYTOC-UHFFFAOYSA-N 2 0 339.440 -0.505 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001482060389 1126074625 /nfs/dbraw/zinc/07/46/25/1126074625.db2.gz DVYRNWDPXSUBPI-JHJVBQTASA-N 2 0 339.440 -0.495 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482159214 1126088697 /nfs/dbraw/zinc/08/86/97/1126088697.db2.gz NEFKFEPNEADHIJ-STQMWFEESA-N 2 0 341.456 -0.484 20 0 EBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]C[C@@H](O)Cn1cccn1 ZINC001482161438 1126089282 /nfs/dbraw/zinc/08/92/82/1126089282.db2.gz SAUKWXZKBLJGJT-HUUCEWRRSA-N 2 0 335.452 -0.318 20 0 EBADRP Cc1nnc(C[NH2+]C[C@H](C)CNC(=O)[C@H](C)C[NH+]2CCOCC2)[nH]1 ZINC001482167173 1126089588 /nfs/dbraw/zinc/08/95/88/1126089588.db2.gz CGSNNUCKFCVVEU-QWHCGFSZSA-N 2 0 338.456 -0.077 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CCCC1 ZINC001482234016 1126109364 /nfs/dbraw/zinc/10/93/64/1126109364.db2.gz MPWQROJAJKIXMC-UHFFFAOYSA-N 2 0 338.456 -0.031 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001280295169 1126132686 /nfs/dbraw/zinc/13/26/86/1126132686.db2.gz HLCOVHFNDKQARS-LBPRGKRZSA-N 2 0 325.413 -0.895 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001482365911 1126139268 /nfs/dbraw/zinc/13/92/68/1126139268.db2.gz MYNAFNKJJHECEQ-CABCVRRESA-N 2 0 342.484 -0.131 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]([NH2+][C@H]1CCC(=O)NC1=O)C(C)C ZINC001482565612 1126198219 /nfs/dbraw/zinc/19/82/19/1126198219.db2.gz JGIVAIRHVMGJKM-QWHCGFSZSA-N 2 0 326.441 -0.136 20 0 EBADRP CC[N@H+](C)CCC(=O)NC1CN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001409108126 1126203960 /nfs/dbraw/zinc/20/39/60/1126203960.db2.gz GEMQPTTYXJDOLH-HNNXBMFYSA-N 2 0 340.468 -0.236 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001648976252 1126210373 /nfs/dbraw/zinc/21/03/73/1126210373.db2.gz KNLJMCMICWUYDQ-NVXWUHKLSA-N 2 0 326.485 -0.119 20 0 EBADRP C[NH+]1CCN(c2cc(CNC(=O)[C@]3(C)C[C@H](O)C[NH2+]3)ccn2)CC1 ZINC001648976594 1126217908 /nfs/dbraw/zinc/21/79/08/1126217908.db2.gz QAOBXDZKANDTQN-YOEHRIQHSA-N 2 0 333.436 -0.438 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]CC(=O)Nc2ccon2)C1 ZINC001482767174 1126277366 /nfs/dbraw/zinc/27/73/66/1126277366.db2.gz LKGLUMYKAHEDAU-VXGBXAGGSA-N 2 0 339.396 -0.978 20 0 EBADRP CC(C)N(C)C(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001482764960 1126281329 /nfs/dbraw/zinc/28/13/29/1126281329.db2.gz ZSOLYFZEOHCKDK-UKRRQHHQSA-N 2 0 342.484 -0.350 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCC2)CC1 ZINC001482781051 1126282322 /nfs/dbraw/zinc/28/23/22/1126282322.db2.gz LJMCWYKUFLTIFL-OAHLLOKOSA-N 2 0 340.468 -0.594 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001482775118 1126284969 /nfs/dbraw/zinc/28/49/69/1126284969.db2.gz OGMOOCYXMKEDCI-HUUCEWRRSA-N 2 0 340.468 -0.452 20 0 EBADRP CC[C@H](C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001482787884 1126291186 /nfs/dbraw/zinc/29/11/86/1126291186.db2.gz XJHOUTIARHCRAC-STQMWFEESA-N 2 0 326.441 -0.936 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cnns1 ZINC001482798502 1126294581 /nfs/dbraw/zinc/29/45/81/1126294581.db2.gz HVFZJQRJLPGYMK-WCQYABFASA-N 2 0 327.454 -0.021 20 0 EBADRP CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+](C)C ZINC001482867706 1126299147 /nfs/dbraw/zinc/29/91/47/1126299147.db2.gz LEUFQTFDZVMUHI-DGCLKSJQSA-N 2 0 326.445 -0.321 20 0 EBADRP C[C@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)COC1CC[NH+](C)CC1 ZINC001482883610 1126299823 /nfs/dbraw/zinc/29/98/23/1126299823.db2.gz RVKJQIHLEXWKDD-OCCSQVGLSA-N 2 0 326.441 -0.530 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CCNS(C)(=O)=O)CC[N@@H+]1C ZINC001483007527 1126311962 /nfs/dbraw/zinc/31/19/62/1126311962.db2.gz AZUXOLQVDCPRNN-DIABFLQPSA-N 2 0 332.470 -0.862 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001483014935 1126312682 /nfs/dbraw/zinc/31/26/82/1126312682.db2.gz CAFFAQXLSIOOIS-OEFFGFFESA-N 2 0 339.440 -0.294 20 0 EBADRP O=C(NC/C=C\C[NH2+][C@@H]1CCC(=O)NC1=O)C12CCC[NH+](CCC1)C2 ZINC001483025412 1126314579 /nfs/dbraw/zinc/31/45/79/1126314579.db2.gz WMIUSXKVDWJQMB-DDGIKZQJSA-N 2 0 348.447 -0.070 20 0 EBADRP CN(CC[NH2+]CC(=O)NC[C@@H]1CCOC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001691556861 1126321791 /nfs/dbraw/zinc/32/17/91/1126321791.db2.gz ZLPXCRFLRIJRHZ-GJZGRUSLSA-N 2 0 340.468 -0.471 20 0 EBADRP CN(CCOCC[N@H+](C)[C@@H]1CCNC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001691603935 1126325140 /nfs/dbraw/zinc/32/51/40/1126325140.db2.gz WNLITRQSSNZCNW-OAHLLOKOSA-N 2 0 340.468 -0.377 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]CCN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001691605596 1126325195 /nfs/dbraw/zinc/32/51/95/1126325195.db2.gz AQDGMFNFEGNDTG-HNNXBMFYSA-N 2 0 342.484 -0.131 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)s1 ZINC001483116239 1126334403 /nfs/dbraw/zinc/33/44/03/1126334403.db2.gz FDNWWESZZVXKHW-KOLCDFICSA-N 2 0 340.453 -0.026 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001483193070 1126352463 /nfs/dbraw/zinc/35/24/63/1126352463.db2.gz QBVPYSFEJXTNNK-NEPJUHHUSA-N 2 0 327.429 -0.589 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001409360211 1126358314 /nfs/dbraw/zinc/35/83/14/1126358314.db2.gz JOUIIYGBEDYBGG-VXGBXAGGSA-N 2 0 341.456 -0.343 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001483236763 1126384948 /nfs/dbraw/zinc/38/49/48/1126384948.db2.gz SLWIZSAHLTWXQD-RYUDHWBXSA-N 2 0 327.429 -0.589 20 0 EBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CCCS(=O)(=O)N(C)C ZINC001409692610 1126393400 /nfs/dbraw/zinc/39/34/00/1126393400.db2.gz WEYQWQDIHGDUEB-KGLIPLIRSA-N 2 0 348.513 -0.344 20 0 EBADRP CCCNC(=O)NC(=O)CN(C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001409683867 1126391961 /nfs/dbraw/zinc/39/19/61/1126391961.db2.gz OUHOLKQEXRYAMR-STQMWFEESA-N 2 0 341.456 -0.390 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN1CC[NH+](C[C@H](C)O)CC1 ZINC001490494296 1129193775 /nfs/dbraw/zinc/19/37/75/1129193775.db2.gz XNRCPUKYSSPXIZ-JKSUJKDBSA-N 2 0 326.485 -0.025 20 0 EBADRP CN(CCC[NH2+]CCN1CCNC1=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483485993 1126430591 /nfs/dbraw/zinc/43/05/91/1126430591.db2.gz QOUKUFGQZZNWGP-AWEZNQCLSA-N 2 0 325.457 -0.066 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001483504179 1126431805 /nfs/dbraw/zinc/43/18/05/1126431805.db2.gz ILOJKGAHMNSSGT-LBPRGKRZSA-N 2 0 339.440 -0.636 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001483571493 1126436277 /nfs/dbraw/zinc/43/62/77/1126436277.db2.gz QSGSUZXZDUZNNZ-CHWSQXEVSA-N 2 0 339.440 -0.589 20 0 EBADRP O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001649010953 1126458562 /nfs/dbraw/zinc/45/85/62/1126458562.db2.gz NNUNCQKLMYEWCD-HUBLWGQQSA-N 2 0 327.450 -0.589 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]C2(CNC(=O)[C@H]3CCC[N@@H+]3C)CC2)n(C)n1 ZINC001483721946 1126463621 /nfs/dbraw/zinc/46/36/21/1126463621.db2.gz NUDPMXHXMOMYTE-CYBMUJFWSA-N 2 0 348.451 0.000 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001493546512 1126466867 /nfs/dbraw/zinc/46/68/67/1126466867.db2.gz OZSGGFXXOXKIBU-NWDGAFQWSA-N 2 0 327.429 -0.509 20 0 EBADRP CC[C@H](C(=O)NCC1([NH2+]CC(=O)N2CCOCC2)CC1)[NH+](C)C ZINC001483748034 1126468488 /nfs/dbraw/zinc/46/84/88/1126468488.db2.gz ZEOGPOPBLCEJHP-CYBMUJFWSA-N 2 0 326.441 -0.576 20 0 EBADRP CN1CC[NH2+]C[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001649027260 1126471188 /nfs/dbraw/zinc/47/11/88/1126471188.db2.gz MFKATDSQNCOXMH-IAGOWNOFSA-N 2 0 332.448 -0.227 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001483789988 1126477366 /nfs/dbraw/zinc/47/73/66/1126477366.db2.gz AGZFNBFTKPYBQD-NWDGAFQWSA-N 2 0 339.440 -0.589 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+]C[C@H](O)Cn3cccn3)CC2)C1 ZINC001483768005 1126474557 /nfs/dbraw/zinc/47/45/57/1126474557.db2.gz UJEDAOZCLAKNGX-CABCVRRESA-N 2 0 335.452 -0.176 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001483932389 1126490526 /nfs/dbraw/zinc/49/05/26/1126490526.db2.gz FMZFLPSLCHEYDP-STQMWFEESA-N 2 0 339.440 -0.364 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CCn2cncn2)C1 ZINC001484225905 1126527142 /nfs/dbraw/zinc/52/71/42/1126527142.db2.gz VHNCWUIKBUPDIG-GDBMZVCRSA-N 2 0 336.440 -0.685 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](CCOCC(F)F)C1 ZINC001484229668 1126532204 /nfs/dbraw/zinc/53/22/04/1126532204.db2.gz MYFKCSQFWPBTMM-IUODEOHRSA-N 2 0 335.395 -0.085 20 0 EBADRP CNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484233940 1126533734 /nfs/dbraw/zinc/53/37/34/1126533734.db2.gz PKEVMRJTCZZDAT-WBMJQRKESA-N 2 0 326.441 -0.984 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@]1(O)CC[NH+]([C@@H]2CCCN(C)C2=O)C1 ZINC001484249509 1126543490 /nfs/dbraw/zinc/54/34/90/1126543490.db2.gz XEPZVHHAZRVELM-PBHICJAKSA-N 2 0 340.468 -0.498 20 0 EBADRP CN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@H]3C2)C1=O ZINC001484411097 1126570737 /nfs/dbraw/zinc/57/07/37/1126570737.db2.gz YUJKYFNXRLDQHB-QLFBSQMISA-N 2 0 334.464 -0.051 20 0 EBADRP COCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001484436106 1126578341 /nfs/dbraw/zinc/57/83/41/1126578341.db2.gz UHLLXFOYFWBNDW-NVXWUHKLSA-N 2 0 325.453 -0.082 20 0 EBADRP Cc1nc(C)n(CC[NH2+]CCN(CCO)C(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001484478416 1126590604 /nfs/dbraw/zinc/59/06/04/1126590604.db2.gz PEBRLPFDMNAGSM-OAHLLOKOSA-N 2 0 338.456 -0.600 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]CC(=O)NCC(C)(C)C ZINC001484478391 1126590766 /nfs/dbraw/zinc/59/07/66/1126590766.db2.gz ONRFMFFIJHIUOM-CQSZACIVSA-N 2 0 342.484 -0.347 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N(CCO)CC[NH2+]CC(=O)N(C)C)CC[N@@H+]1C ZINC001484483154 1126592744 /nfs/dbraw/zinc/59/27/44/1126592744.db2.gz CAZDYRRWPKSFQG-UONOGXRCSA-N 2 0 328.457 -0.785 20 0 EBADRP CN1CC[C@@H]([NH2+]CCN(CCO)C(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001484490255 1126593498 /nfs/dbraw/zinc/59/34/98/1126593498.db2.gz VSOFHHBHENUHRV-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP CN(C)C(=O)C[NH2+]CCN(CCO)C(=O)C12CCC[NH+]1CCC2 ZINC001484486448 1126595855 /nfs/dbraw/zinc/59/58/55/1126595855.db2.gz PSPIHRNTUVBNPM-UHFFFAOYSA-N 2 0 326.441 -0.887 20 0 EBADRP C[C@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(C)(C)C ZINC001484499747 1126598901 /nfs/dbraw/zinc/59/89/01/1126598901.db2.gz DGKYKKOXAIJMHQ-UONOGXRCSA-N 2 0 342.484 -0.348 20 0 EBADRP O=C(C[NH+]1CCCC1)N(CCO)CC[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC001484501399 1126599419 /nfs/dbraw/zinc/59/94/19/1126599419.db2.gz UUDSWAJPLYWKHP-DOTOQJQBSA-N 2 0 325.453 -0.081 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCN2CCNC2=O)C1 ZINC001484619587 1126611961 /nfs/dbraw/zinc/61/19/61/1126611961.db2.gz ITGHESGHEBMHOF-HUUCEWRRSA-N 2 0 337.468 -0.066 20 0 EBADRP C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CCO1 ZINC001484680381 1126616157 /nfs/dbraw/zinc/61/61/57/1126616157.db2.gz MKLVKKHNGPAWQV-CABCVRRESA-N 2 0 343.468 -0.457 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]CC(=O)NCC)C1 ZINC001484678318 1126618748 /nfs/dbraw/zinc/61/87/48/1126618748.db2.gz KPENFQJJLOMABI-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCO[C@H](C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001484692934 1126620018 /nfs/dbraw/zinc/62/00/18/1126620018.db2.gz QEYLIXIKKYRPCJ-UONOGXRCSA-N 2 0 326.441 -0.767 20 0 EBADRP Cn1nccc1C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001484836093 1126640845 /nfs/dbraw/zinc/64/08/45/1126640845.db2.gz MQKFBBOGLWWIIG-RDJZCZTQSA-N 2 0 335.452 -0.043 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CCC[C@](CO)([NH2+]CCF)C2)cn1 ZINC001484852193 1126642761 /nfs/dbraw/zinc/64/27/61/1126642761.db2.gz YPBMKUGNPFDNPO-INIZCTEOSA-N 2 0 341.431 -0.029 20 0 EBADRP Cn1cc(C[NH2+]CC2(NC(=O)C[NH+]3CCCC3)CCOCC2)nn1 ZINC001484871948 1126647930 /nfs/dbraw/zinc/64/79/30/1126647930.db2.gz MODXBUVCOSVROD-UHFFFAOYSA-N 2 0 336.440 -0.334 20 0 EBADRP C[C@@H]([NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1)C(=O)N(C)C ZINC001484964159 1126657158 /nfs/dbraw/zinc/65/71/58/1126657158.db2.gz FGLCHASMCIILLP-KGLIPLIRSA-N 2 0 340.468 -0.642 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCC(O)(C[NH2+]CC(=O)NC2CC2)CC1 ZINC001484960134 1126659295 /nfs/dbraw/zinc/65/92/95/1126659295.db2.gz ZKOVDIHIOPMTQH-UHFFFAOYSA-N 2 0 340.468 -0.450 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001485069575 1126671030 /nfs/dbraw/zinc/67/10/30/1126671030.db2.gz QFEWVEPPVCKOJL-CHWSQXEVSA-N 2 0 341.456 -0.295 20 0 EBADRP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001485226708 1126682250 /nfs/dbraw/zinc/68/22/50/1126682250.db2.gz NJJYFLQMXJWHSP-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CCCN1C(=O)CNC1=O ZINC001485229656 1126682900 /nfs/dbraw/zinc/68/29/00/1126682900.db2.gz ZSVBGXLTCHOOTC-STQMWFEESA-N 2 0 339.440 -0.493 20 0 EBADRP C[NH+](C)CCC(=O)NC1(CCO)C[NH+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001485415352 1126706738 /nfs/dbraw/zinc/70/67/38/1126706738.db2.gz PJZRAXFSHGJGFU-AWEZNQCLSA-N 2 0 340.468 -0.593 20 0 EBADRP CCCC[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485463992 1126719872 /nfs/dbraw/zinc/71/98/72/1126719872.db2.gz RTLAMRLSAOFKBL-JHJVBQTASA-N 2 0 341.456 -0.214 20 0 EBADRP CNC(=O)[C@@H](C)[N@H+](C)CCOCCNC(=O)C1CC[NH+](C)CC1 ZINC001485777378 1126824098 /nfs/dbraw/zinc/82/40/98/1126824098.db2.gz SXBQOFFYOKCMCJ-CYBMUJFWSA-N 2 0 328.457 -0.473 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC([NH+](C)CC(=O)NC(N)=O)CC2)C1 ZINC001485764196 1126827511 /nfs/dbraw/zinc/82/75/11/1126827511.db2.gz YNZCTOHRGJLLSO-GFCCVEGCSA-N 2 0 339.440 -0.554 20 0 EBADRP C[C@@H](C(=O)N(C)C)[N@H+](C)CCOCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001485773066 1126832295 /nfs/dbraw/zinc/83/22/95/1126832295.db2.gz PHGKYBWCEMNLKM-QLFBSQMISA-N 2 0 342.484 -0.132 20 0 EBADRP O=C(C1=NOC2(C1)CC[NH2+]CC2)N1CCc2[nH]cnc2[C@@]12CC[NH2+]C2 ZINC001649079328 1126868599 /nfs/dbraw/zinc/86/85/99/1126868599.db2.gz UDIIFJDSONDYPB-KRWDZBQOSA-N 2 0 344.419 -0.119 20 0 EBADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)C1CC1 ZINC001485833527 1126888706 /nfs/dbraw/zinc/88/87/06/1126888706.db2.gz VEBQIJCSDMHBSD-ZDUSSCGKSA-N 2 0 348.451 -0.469 20 0 EBADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H](C[NH2+]CCN1CCNC1=O)C1CC1 ZINC001485835557 1126890395 /nfs/dbraw/zinc/89/03/95/1126890395.db2.gz YZXCRUFETIRTBW-LSDHHAIUSA-N 2 0 337.468 -0.210 20 0 EBADRP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1C[NH+](CCN2CCNC2=O)C1 ZINC001409945056 1126891252 /nfs/dbraw/zinc/89/12/52/1126891252.db2.gz ZMLDMKNRDPWHNQ-CYBMUJFWSA-N 2 0 337.468 -0.068 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCCC1 ZINC001486005878 1126980098 /nfs/dbraw/zinc/98/00/98/1126980098.db2.gz ZTYUQPRBHXBMOM-LSDHHAIUSA-N 2 0 340.468 -0.450 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]C[C@H]1COc2ccccc2O1 ZINC001486031138 1127001712 /nfs/dbraw/zinc/00/17/12/1127001712.db2.gz OWCBISHGMDVYQC-KGLIPLIRSA-N 2 0 337.420 -0.155 20 0 EBADRP CCN(C(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001486062888 1127012774 /nfs/dbraw/zinc/01/27/74/1127012774.db2.gz ZZVOGCKFXWEERW-OLZOCXBDSA-N 2 0 326.441 -0.984 20 0 EBADRP CC(C)N1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)C[NH+]2CCCC2)C1=O ZINC001486062723 1127013213 /nfs/dbraw/zinc/01/32/13/1127013213.db2.gz YPOVZBMEYQHDEP-ZIAGYGMSSA-N 2 0 326.441 -0.842 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H]2C1 ZINC001486159999 1127051645 /nfs/dbraw/zinc/05/16/45/1127051645.db2.gz DZAUMQDQHACHMH-RWMBFGLXSA-N 2 0 339.440 -0.650 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CCN2CCNC2=O)C(C)(C)C1 ZINC001486240450 1127064821 /nfs/dbraw/zinc/06/48/21/1127064821.db2.gz MMPQTQDXAXQOPJ-CYBMUJFWSA-N 2 0 325.457 -0.210 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001486241750 1127065837 /nfs/dbraw/zinc/06/58/37/1127065837.db2.gz XUEUMDNUTZNLSU-NEPJUHHUSA-N 2 0 339.440 -0.637 20 0 EBADRP CN(C[C@@H](O)C[NH2+]Cc1ccnn1C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001486277918 1127073884 /nfs/dbraw/zinc/07/38/84/1127073884.db2.gz JVOATDBJAQPMOJ-JKSUJKDBSA-N 2 0 335.452 -0.329 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CCn1cncn1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001486293494 1127101830 /nfs/dbraw/zinc/10/18/30/1127101830.db2.gz XCHMDMCMXITJMI-AWEZNQCLSA-N 2 0 338.456 -0.439 20 0 EBADRP CN(C[C@@H](O)C[NH2+]C[C@@H]1CCCS(=O)(=O)C1)C(=O)CC[NH+](C)C ZINC001486296642 1127104382 /nfs/dbraw/zinc/10/43/82/1127104382.db2.gz AABPLIHAXDIZGZ-KBPBESRZSA-N 2 0 349.497 -0.828 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001486309998 1127115078 /nfs/dbraw/zinc/11/50/78/1127115078.db2.gz HWJMORJUHCEDEU-DZGCQCFKSA-N 2 0 340.468 -0.642 20 0 EBADRP CCN(CC)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001486312021 1127125127 /nfs/dbraw/zinc/12/51/27/1127125127.db2.gz SHAKLZVIEJPPAQ-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@@H](C(=O)NC[C@H](O)CNC(=O)CC[NH+](C)C)[NH+]1CCCCCC1 ZINC001410106487 1127569611 /nfs/dbraw/zinc/56/96/11/1127569611.db2.gz FAXGHCJAMOUWHI-LSDHHAIUSA-N 2 0 342.484 -0.204 20 0 EBADRP C[C@H]([NH2+]CC(N)=O)[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001410127369 1127591879 /nfs/dbraw/zinc/59/18/79/1127591879.db2.gz COPLUEYQHTUSJE-KBPBESRZSA-N 2 0 326.441 -0.447 20 0 EBADRP C[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001410166385 1127623966 /nfs/dbraw/zinc/62/39/66/1127623966.db2.gz ZAZARKIXONQGLC-KBPBESRZSA-N 2 0 340.468 -0.236 20 0 EBADRP CC(C)NC(=O)C[NH2+][C@@H](C)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001410150334 1127628335 /nfs/dbraw/zinc/62/83/35/1127628335.db2.gz FIDBETUQVLFXDQ-UONOGXRCSA-N 2 0 328.457 -0.332 20 0 EBADRP C[NH+](CC(=O)NC(N)=O)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001410226052 1127649613 /nfs/dbraw/zinc/64/96/13/1127649613.db2.gz YDODEWUXOVRAQA-UHFFFAOYSA-N 2 0 339.440 -0.412 20 0 EBADRP O=C(NC[C@@H](CO)[NH2+]C[C@H](O)CC(F)(F)F)C12CC[NH+](CC1)C2 ZINC001410760961 1127867518 /nfs/dbraw/zinc/86/75/18/1127867518.db2.gz YZSFNKLTLYAYTA-WDEREUQCSA-N 2 0 339.358 -0.538 20 0 EBADRP CCN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)C[NH+]2CCC(C)CC2)C1=O ZINC001410767471 1127872627 /nfs/dbraw/zinc/87/26/27/1127872627.db2.gz XHPDMILOWOLOSM-HUUCEWRRSA-N 2 0 340.468 -0.594 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)[C@H]1C ZINC001410870359 1127923651 /nfs/dbraw/zinc/92/36/51/1127923651.db2.gz WLFXNWXEOCRGMI-ZIAGYGMSSA-N 2 0 348.513 -0.203 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@H](C[NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001410930179 1127945796 /nfs/dbraw/zinc/94/57/96/1127945796.db2.gz BGIIWZMGKLIUJT-NWDGAFQWSA-N 2 0 339.440 -0.602 20 0 EBADRP CC(C)NC(=O)C[NH2+][C@H]1CN(C(=O)[C@H]2CN(C)CCO2)CC1(C)C ZINC001410939520 1127949238 /nfs/dbraw/zinc/94/92/38/1127949238.db2.gz NGGNKYOHKHICDT-KGLIPLIRSA-N 2 0 340.468 -0.332 20 0 EBADRP C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1)C(=O)NC1CC1 ZINC001411051229 1127988037 /nfs/dbraw/zinc/98/80/37/1127988037.db2.gz ZZMAFRQKWWHIIN-JSGCOSHPSA-N 2 0 340.468 -0.453 20 0 EBADRP CN(C[C@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)CC[NH+]1CCCCC1 ZINC001411122187 1128024064 /nfs/dbraw/zinc/02/40/64/1128024064.db2.gz GVQCYLBEURKTPB-CABCVRRESA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)C[NH+]1CCC(C)CC1)C(=O)N(C)C ZINC001411134456 1128030963 /nfs/dbraw/zinc/03/09/63/1128030963.db2.gz ZFTWRHLFPAUFNJ-GJZGRUSLSA-N 2 0 342.484 -0.396 20 0 EBADRP CCN1CC[C@@H](N(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CCOC)C1=O ZINC001411220771 1128095056 /nfs/dbraw/zinc/09/50/56/1128095056.db2.gz IIUQXAZCQWKLIQ-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001488004898 1128541508 /nfs/dbraw/zinc/54/15/08/1128541508.db2.gz JRILQDSOVBZEJU-HUUCEWRRSA-N 2 0 340.468 -0.737 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@H](CO)NC(=O)C12CC[NH+](CC1)C2 ZINC001488078834 1128613741 /nfs/dbraw/zinc/61/37/41/1128613741.db2.gz AIQYKNRRDIENTK-CYBMUJFWSA-N 2 0 326.441 -0.983 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001488368339 1128705455 /nfs/dbraw/zinc/70/54/55/1128705455.db2.gz ALWPNRKSAVVHSG-ZIAGYGMSSA-N 2 0 328.457 -0.786 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)C2)nc1=O ZINC001488764987 1128840632 /nfs/dbraw/zinc/84/06/32/1128840632.db2.gz ZQGKWQHJIINMEI-TXEJJXNPSA-N 2 0 336.440 -0.565 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCNS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001488827786 1128852843 /nfs/dbraw/zinc/85/28/43/1128852843.db2.gz GTPARARSSGYHHE-AAVRWANBSA-N 2 0 346.497 -0.640 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001488794428 1128855817 /nfs/dbraw/zinc/85/58/17/1128855817.db2.gz QXBHLULHLMUUKE-LJISPDSOSA-N 2 0 340.468 -0.426 20 0 EBADRP CO[C@H](C)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001489080001 1128907928 /nfs/dbraw/zinc/90/79/28/1128907928.db2.gz BUCPWGUEQUNNNR-NEPJUHHUSA-N 2 0 337.424 -0.125 20 0 EBADRP CNC(=O)NC(=O)CN1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001489285585 1128942181 /nfs/dbraw/zinc/94/21/81/1128942181.db2.gz ANFOXASZBDDEKO-NEPJUHHUSA-N 2 0 327.429 -0.637 20 0 EBADRP C[NH+](C)CCOCC(=O)NC1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001358652794 1131243852 /nfs/dbraw/zinc/24/38/52/1131243852.db2.gz KCFKFAWLUFBCKE-ZDUSSCGKSA-N 2 0 326.441 -0.576 20 0 EBADRP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)CC(=O)NC(=O)NC1CC1 ZINC001490279884 1129156815 /nfs/dbraw/zinc/15/68/15/1129156815.db2.gz PQYBFGAPPHDTEV-UHFFFAOYSA-N 2 0 339.440 -0.492 20 0 EBADRP O=C(NC[C@@H]([NH2+][C@H]1CCC(=O)NC1=O)C1CC1)C12CCC[NH+]1CCC2 ZINC001490681750 1129240300 /nfs/dbraw/zinc/24/03/00/1129240300.db2.gz RPAFRWNHTULMHP-UONOGXRCSA-N 2 0 348.447 -0.096 20 0 EBADRP O=C(NC[C@@H]([NH2+]CCN1CCNC1=O)C1CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001490737064 1129250913 /nfs/dbraw/zinc/25/09/13/1129250913.db2.gz IOHSFVJOXUADAN-QAPCUYQASA-N 2 0 349.479 -0.018 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H](O)C2CCOCC2)C[C@H]1C[NH+](C)C ZINC000870021601 1129265194 /nfs/dbraw/zinc/26/51/94/1129265194.db2.gz QJGKIFUOXHWCLD-BZUAXINKSA-N 2 0 327.469 -0.028 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001414061997 1131368989 /nfs/dbraw/zinc/36/89/89/1131368989.db2.gz ONWKNYCKCWLAKF-KGLIPLIRSA-N 2 0 328.457 -0.642 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001412994203 1129844334 /nfs/dbraw/zinc/84/43/34/1129844334.db2.gz VTQORDOVQUZKLB-HZSPNIEDSA-N 2 0 328.457 -0.738 20 0 EBADRP CN(C[C@@H](O)CNC(=O)CCC[NH+](C)C)C(=O)C12CC[NH+](CC1)C2 ZINC001413300220 1129998898 /nfs/dbraw/zinc/99/88/98/1129998898.db2.gz HVMFCHBHCRBGEJ-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP CN1C[C@@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCC1=O ZINC001413729018 1130244405 /nfs/dbraw/zinc/24/44/05/1130244405.db2.gz ILUWKHUMZJVCCG-KFWWJZLASA-N 2 0 339.484 -0.012 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001490940204 1130269540 /nfs/dbraw/zinc/26/95/40/1130269540.db2.gz FFZGRFSZKUINEI-JHJVBQTASA-N 2 0 326.441 -0.532 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001491061499 1130308368 /nfs/dbraw/zinc/30/83/68/1130308368.db2.gz LVTSEMGUYNMCPZ-FRRDWIJNSA-N 2 0 339.440 -0.319 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001491079701 1130314630 /nfs/dbraw/zinc/31/46/30/1130314630.db2.gz DSVPHCVVNHXEKG-GRYCIOLGSA-N 2 0 325.413 -0.708 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CCC[C@H](C[NH2+]CC(N)=O)C2)cn1 ZINC001491177007 1130349588 /nfs/dbraw/zinc/34/95/88/1130349588.db2.gz KSXMGUSEITXNRQ-CYBMUJFWSA-N 2 0 336.440 -0.628 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001491318770 1130397746 /nfs/dbraw/zinc/39/77/46/1130397746.db2.gz ATKXQUANXLYBKG-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCOC)C1 ZINC001216502431 1130523011 /nfs/dbraw/zinc/52/30/11/1130523011.db2.gz AETHLWPZEZTLJC-HUUCEWRRSA-N 2 0 342.484 -0.083 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001216490428 1130523186 /nfs/dbraw/zinc/52/31/86/1130523186.db2.gz CMXRBAAQVQPSDZ-CHWSQXEVSA-N 2 0 338.456 -0.223 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001216494580 1130523237 /nfs/dbraw/zinc/52/32/37/1130523237.db2.gz NVFRBMUDZDBQDL-VXGBXAGGSA-N 2 0 327.429 -0.650 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC(=O)NC)C1 ZINC001491557673 1130528331 /nfs/dbraw/zinc/52/83/31/1130528331.db2.gz HCIRTCYNVUKYGT-STQMWFEESA-N 2 0 341.456 -0.342 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](CC[NH2+]CC(N)=O)C1 ZINC001280295985 1130558018 /nfs/dbraw/zinc/55/80/18/1130558018.db2.gz LNZPJXFECFYDGK-UONOGXRCSA-N 2 0 326.441 -0.732 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001492176933 1130589967 /nfs/dbraw/zinc/58/99/67/1130589967.db2.gz BBMALQKFRBNJLL-LSDHHAIUSA-N 2 0 340.468 -0.199 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001492176932 1130590427 /nfs/dbraw/zinc/59/04/27/1130590427.db2.gz BBMALQKFRBNJLL-HUUCEWRRSA-N 2 0 340.468 -0.199 20 0 EBADRP Cc1cncn1CC(=O)NCCN(C)CC(=O)NC[C@@H]1CCOC1 ZINC001492342996 1130652354 /nfs/dbraw/zinc/65/23/54/1130652354.db2.gz YSFMWUNPANTZKK-AWEZNQCLSA-N 2 0 337.424 -0.608 20 0 EBADRP C[C@@](C[NH2+][C@@H]1CCC(=O)NC1=O)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001318726764 1130689091 /nfs/dbraw/zinc/68/90/91/1130689091.db2.gz BNVCWMVVPROGKU-DYVFJYSZSA-N 2 0 348.447 -0.238 20 0 EBADRP C[C@H](C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1)CS(C)(=O)=O ZINC001480196509 1130763466 /nfs/dbraw/zinc/76/34/66/1130763466.db2.gz JLONBXBTQNLQBN-MQYQWHSLSA-N 2 0 331.482 -0.002 20 0 EBADRP C[N@H+](CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)C[C@H]1O)C1CCC1 ZINC001413975644 1131162187 /nfs/dbraw/zinc/16/21/87/1131162187.db2.gz UNMUSSWBCUHZQQ-NWANDNLSSA-N 2 0 338.452 -0.890 20 0 EBADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCCN1CCC([NH3+])CC1 ZINC001358111140 1131166991 /nfs/dbraw/zinc/16/69/91/1131166991.db2.gz HUKITPJHOVNBQS-KRWDZBQOSA-N 2 0 333.480 -0.015 20 0 EBADRP C[C@@H](C(=O)N1CCNCCN(C(=O)[C@H](C)[NH+](C)C)CC1)[NH+](C)C ZINC001358183228 1131170808 /nfs/dbraw/zinc/17/08/08/1131170808.db2.gz MXMJMMXZCOUYQX-KBPBESRZSA-N 2 0 327.473 -0.853 20 0 EBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCCCCCN1CC[NH2+]CC1 ZINC001358213269 1131172523 /nfs/dbraw/zinc/17/25/23/1131172523.db2.gz GQNGVRVTVIXPQA-OAHLLOKOSA-N 2 0 339.484 -0.564 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001413982345 1131194985 /nfs/dbraw/zinc/19/49/85/1131194985.db2.gz YZKYAAMWVZPTLY-ZIAGYGMSSA-N 2 0 328.457 -0.642 20 0 EBADRP CC[NH+]1CCN(CCC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001362481817 1131592571 /nfs/dbraw/zinc/59/25/71/1131592571.db2.gz ODZOTGANPFTGKX-INIZCTEOSA-N 2 0 326.485 -0.023 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cccnc2C(N)=O)C[C@H]1C[NH+](C)C ZINC001363514583 1131985322 /nfs/dbraw/zinc/98/53/22/1131985322.db2.gz VWWIVQVKGDFQOX-CHWSQXEVSA-N 2 0 333.436 -0.008 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1C[NH+](C)C ZINC001364448722 1132320148 /nfs/dbraw/zinc/32/01/48/1132320148.db2.gz LDMUMEKVDWGACK-MGPQQGTHSA-N 2 0 331.482 -0.381 20 0 EBADRP C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001364647609 1132384031 /nfs/dbraw/zinc/38/40/31/1132384031.db2.gz ZRSFSNDLTXKHEU-UONOGXRCSA-N 2 0 335.456 -0.120 20 0 EBADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](CCC(=O)OC)C[C@H]1C ZINC001365286425 1132607729 /nfs/dbraw/zinc/60/77/29/1132607729.db2.gz JFDKGTWZUFSZGY-CABCVRRESA-N 2 0 331.457 -0.505 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC[C@H]2CNC(=O)C2)C[C@H]1C[NH+](C)C ZINC001365429566 1132668819 /nfs/dbraw/zinc/66/88/19/1132668819.db2.gz JQRBYNKGJWWZSM-RBSFLKMASA-N 2 0 339.484 -0.107 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC001365558835 1132721084 /nfs/dbraw/zinc/72/10/84/1132721084.db2.gz VIDXDFPVEZTAJQ-GJZGRUSLSA-N 2 0 327.473 -0.622 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001365817402 1132816408 /nfs/dbraw/zinc/81/64/08/1132816408.db2.gz OYLNHDNXDMUBHR-HZSPNIEDSA-N 2 0 331.482 0.000 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001365854347 1132834620 /nfs/dbraw/zinc/83/46/20/1132834620.db2.gz YRUBILQNYBUPKM-HAQNSBGRSA-N 2 0 327.429 -0.733 20 0 EBADRP C[NH+](C)CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@@H+](CC(N)=O)C2)CC1 ZINC001365875180 1132851828 /nfs/dbraw/zinc/85/18/28/1132851828.db2.gz NJMVXKYOMIEMAK-AJNGGQMLSA-N 2 0 334.464 -0.018 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001365926603 1132890660 /nfs/dbraw/zinc/89/06/60/1132890660.db2.gz JZTYUWVHZDGBSA-QWHCGFSZSA-N 2 0 341.456 -0.119 20 0 EBADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCCN2CC[NH+](CCO)CC2)C1 ZINC001365966444 1132930552 /nfs/dbraw/zinc/93/05/52/1132930552.db2.gz YVDLEKMEIUFBQP-KRWDZBQOSA-N 2 0 344.475 -0.075 20 0 EBADRP CC[C@H](C(=O)NC[C@H]([NH2+]CC(=O)N1CCOCC1)C1CC1)[NH+](C)C ZINC001366061156 1132985653 /nfs/dbraw/zinc/98/56/53/1132985653.db2.gz LGOPKQWYNYNSDJ-LSDHHAIUSA-N 2 0 340.468 -0.330 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCc2cccnc2)C1 ZINC001366091176 1132997994 /nfs/dbraw/zinc/99/79/94/1132997994.db2.gz QSTIZDOGGRYROA-HOTGVXAUSA-N 2 0 345.447 -0.018 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001366121552 1133016262 /nfs/dbraw/zinc/01/62/62/1133016262.db2.gz RWFHROIUYVBMGM-MGPQQGTHSA-N 2 0 343.493 0.000 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)C(=O)Nc1ncccn1 ZINC001366125180 1133016963 /nfs/dbraw/zinc/01/69/63/1133016963.db2.gz QPWPIKFDDDCQBZ-AVGNSLFASA-N 2 0 334.424 -0.008 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001366123536 1133017390 /nfs/dbraw/zinc/01/73/90/1133017390.db2.gz ZJEGCFIQJBRTKY-HDJSIYSDSA-N 2 0 326.441 -0.576 20 0 EBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001366128982 1133019925 /nfs/dbraw/zinc/01/99/25/1133019925.db2.gz YUJLPSAXPRGXQF-JOCQHMNTSA-N 2 0 326.441 -0.578 20 0 EBADRP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCN1CCNC1=O ZINC001366276215 1133080666 /nfs/dbraw/zinc/08/06/66/1133080666.db2.gz KGMGPNGKPGHMFS-KBPBESRZSA-N 2 0 325.457 -0.021 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001366408812 1133135122 /nfs/dbraw/zinc/13/51/22/1133135122.db2.gz KOHJCMUYZQGIKL-HUUCEWRRSA-N 2 0 340.468 -0.471 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001366440068 1133145975 /nfs/dbraw/zinc/14/59/75/1133145975.db2.gz YTOZRXIMLKTUER-QWHCGFSZSA-N 2 0 339.440 -0.412 20 0 EBADRP C[C@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCN1CCNC1=O ZINC001366460226 1133149060 /nfs/dbraw/zinc/14/90/60/1133149060.db2.gz AXTZECJXSSHPFC-UKRRQHHQSA-N 2 0 337.468 -0.162 20 0 EBADRP CC[C@H](C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)[NH+](C)C ZINC001366814528 1133304377 /nfs/dbraw/zinc/30/43/77/1133304377.db2.gz IVJCGKHFPSIMRL-QWHCGFSZSA-N 2 0 343.472 -0.003 20 0 EBADRP CS(=O)(=O)NCC[N@@H+]1CC[C@@H](CCNC(=O)Cc2c[nH]cn2)C1 ZINC001366844762 1133315676 /nfs/dbraw/zinc/31/56/76/1133315676.db2.gz WQAZALHTIRFMNN-GFCCVEGCSA-N 2 0 343.453 -0.670 20 0 EBADRP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001366848701 1133318474 /nfs/dbraw/zinc/31/84/74/1133318474.db2.gz ATYDSQOZVOISIF-STQMWFEESA-N 2 0 339.440 -0.778 20 0 EBADRP CNC(=O)NC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001366875891 1133335534 /nfs/dbraw/zinc/33/55/34/1133335534.db2.gz XAULIUGVCDYLAY-OLZOCXBDSA-N 2 0 339.440 -0.826 20 0 EBADRP CNC(=O)NC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001366875872 1133335574 /nfs/dbraw/zinc/33/55/74/1133335574.db2.gz XAULIUGVCDYLAY-CHWSQXEVSA-N 2 0 339.440 -0.826 20 0 EBADRP C[C@H](CNC(=O)COC1CC[NH+](C)CC1)C[NH2+]Cc1nnnn1C ZINC001367292401 1133528037 /nfs/dbraw/zinc/52/80/37/1133528037.db2.gz NTYBZWLCZJEVRY-LBPRGKRZSA-N 2 0 339.444 -0.837 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCC1 ZINC001367327521 1133551997 /nfs/dbraw/zinc/55/19/97/1133551997.db2.gz NYGHKLIEHGFKQP-UHFFFAOYSA-N 2 0 339.440 -0.444 20 0 EBADRP C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001367419312 1133585409 /nfs/dbraw/zinc/58/54/09/1133585409.db2.gz ZPHSDXDZNHICEC-STQMWFEESA-N 2 0 341.456 -0.118 20 0 EBADRP CC(C)[C@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CC(=O)NC(N)=O ZINC001367479851 1133598851 /nfs/dbraw/zinc/59/88/51/1133598851.db2.gz FNAWVIPWXILKFT-LRDDRELGSA-N 2 0 339.440 -0.602 20 0 EBADRP CC(C)[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC(=O)NC(N)=O ZINC001367480810 1133599261 /nfs/dbraw/zinc/59/92/61/1133599261.db2.gz INABPPPLWSOQJC-ZDUSSCGKSA-N 2 0 341.456 -0.356 20 0 EBADRP CN(CC[N@H+](C)CCN1CCNC1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001367517687 1133611187 /nfs/dbraw/zinc/61/11/87/1133611187.db2.gz VMAZLITYIYAPCP-UHFFFAOYSA-N 2 0 325.457 -0.114 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccn(C)c(=O)c1)[NH+](C)C ZINC001367618364 1133700663 /nfs/dbraw/zinc/70/06/63/1133700663.db2.gz CYWQNWYSBFJGJQ-HOCLYGCPSA-N 2 0 338.452 -0.462 20 0 EBADRP O=C(CCC[NH+]1CCCCC1)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001367624742 1133710891 /nfs/dbraw/zinc/71/08/91/1133710891.db2.gz BYWSSBDZBKUEAY-UONOGXRCSA-N 2 0 326.441 -0.792 20 0 EBADRP O=C(CCC[NH+]1CCCCC1)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001367624740 1133711439 /nfs/dbraw/zinc/71/14/39/1133711439.db2.gz BYWSSBDZBKUEAY-KBPBESRZSA-N 2 0 326.441 -0.792 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](O)C[NH2+]Cc1cncs1 ZINC001367628510 1133717400 /nfs/dbraw/zinc/71/74/00/1133717400.db2.gz VBJVMLBIGRRXOD-CHWSQXEVSA-N 2 0 342.465 -0.322 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H](O)C[NH2+]CC1CCOCC1 ZINC001367629567 1133718240 /nfs/dbraw/zinc/71/82/40/1133718240.db2.gz XPYLOWIRMQIOAD-GOEBONIOSA-N 2 0 343.468 -0.552 20 0 EBADRP CCN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)COC1CC[NH+](C)CC1 ZINC001367660836 1133733891 /nfs/dbraw/zinc/73/38/91/1133733891.db2.gz UQOZKUGWXPOABC-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC[C@H]1CCOC1)NC(=O)C1CC[NH+](C)CC1 ZINC001367695844 1133750302 /nfs/dbraw/zinc/75/03/02/1133750302.db2.gz MPOUAMSCHZFQPO-ZIAGYGMSSA-N 2 0 340.468 -0.425 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001367746437 1133769451 /nfs/dbraw/zinc/76/94/51/1133769451.db2.gz RZLKWLGFYBSLSI-GXTWGEPZSA-N 2 0 333.392 -0.018 20 0 EBADRP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCO[C@H](C)C1)[NH+](C)C ZINC001367754869 1133772315 /nfs/dbraw/zinc/77/23/15/1133772315.db2.gz GSRROFFJGFLEKQ-SQWLQELKSA-N 2 0 342.484 -0.086 20 0 EBADRP O=C(NCC1([NH2+]C[C@@H](O)Cn2cccn2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001368004174 1133890459 /nfs/dbraw/zinc/89/04/59/1133890459.db2.gz VZMHSUUVYSEKRE-CVEARBPZSA-N 2 0 347.463 -0.176 20 0 EBADRP CC[C@@H](C(=O)NCC1([NH2+]CC(=O)N2CCOCC2)CC1)[NH+](C)C ZINC001368021820 1133900101 /nfs/dbraw/zinc/90/01/01/1133900101.db2.gz ZEOGPOPBLCEJHP-ZDUSSCGKSA-N 2 0 326.441 -0.576 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001368021733 1133900693 /nfs/dbraw/zinc/90/06/93/1133900693.db2.gz XWKNDBDACBUCMP-NEPJUHHUSA-N 2 0 339.440 -0.589 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC(=O)Nc2cnccn2)CC1 ZINC001368046794 1133911524 /nfs/dbraw/zinc/91/15/24/1133911524.db2.gz ZIUIOQYXGBUMQK-UHFFFAOYSA-N 2 0 334.424 -0.006 20 0 EBADRP CNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3ccnc3)C2)C1 ZINC001368058015 1133915623 /nfs/dbraw/zinc/91/56/23/1133915623.db2.gz GCSDPNKMFAFJNV-MRXNPFEDSA-N 2 0 348.407 -0.737 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001368193441 1133985829 /nfs/dbraw/zinc/98/58/29/1133985829.db2.gz DPPRFRYQENFSGG-CZUORRHYSA-N 2 0 335.456 -0.120 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CCNC(=O)C2CC2)C1 ZINC001368251503 1134031256 /nfs/dbraw/zinc/03/12/56/1134031256.db2.gz ZLJAWCYIAOHUCN-WMLDXEAASA-N 2 0 338.452 -0.840 20 0 EBADRP Cc1nn(C)cc1C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001368251967 1134032267 /nfs/dbraw/zinc/03/22/67/1134032267.db2.gz BXGSEMHPLJPLIM-NVXWUHKLSA-N 2 0 335.452 -0.124 20 0 EBADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001368273437 1134081101 /nfs/dbraw/zinc/08/11/01/1134081101.db2.gz VVIVROMZELIXFW-WMLDXEAASA-N 2 0 340.468 -0.465 20 0 EBADRP COCC[N@@H+]1CC[C@@](O)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001368276336 1134087695 /nfs/dbraw/zinc/08/76/95/1134087695.db2.gz KLMJYQVXNCEWOK-MRXNPFEDSA-N 2 0 329.441 -0.703 20 0 EBADRP CCN1CC[C@@H]([N@@H+]2CC[C@@](O)(CNC(=O)C[NH+](C)C(C)C)C2)C1=O ZINC001368276885 1134088778 /nfs/dbraw/zinc/08/87/78/1134088778.db2.gz QMUNUCRMCJHPDQ-RHSMWYFYSA-N 2 0 340.468 -0.500 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001368350405 1134159267 /nfs/dbraw/zinc/15/92/67/1134159267.db2.gz KQDXWLNLTAXSOT-RYUDHWBXSA-N 2 0 327.429 -0.794 20 0 EBADRP COC[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001368358645 1134163175 /nfs/dbraw/zinc/16/31/75/1134163175.db2.gz VQSBSVKRPKLJMH-YYIAUSFCSA-N 2 0 337.464 -0.274 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+][C@@H]1CCCNC1=O ZINC001368393287 1134195912 /nfs/dbraw/zinc/19/59/12/1134195912.db2.gz CUNAHDDPJWCAKB-CABCVRRESA-N 2 0 340.468 -0.450 20 0 EBADRP CN(CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCC1)S(C)(=O)=O ZINC001368489135 1134250609 /nfs/dbraw/zinc/25/06/09/1134250609.db2.gz VRNLQRLHBKLQNJ-CYBMUJFWSA-N 2 0 346.497 -0.400 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCO[C@@H](C[NH2+]CC(=O)NC)C2)C1 ZINC001368502757 1134255376 /nfs/dbraw/zinc/25/53/76/1134255376.db2.gz DZGCNGWUVGDXGW-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCO[C@H](C[NH2+]CC(=O)NC)C2)C1 ZINC001368502759 1134255528 /nfs/dbraw/zinc/25/55/28/1134255528.db2.gz DZGCNGWUVGDXGW-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001368508412 1134261114 /nfs/dbraw/zinc/26/11/14/1134261114.db2.gz HJXABSRDGOIVMF-CABCVRRESA-N 2 0 338.452 -0.434 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001368510078 1134263182 /nfs/dbraw/zinc/26/31/82/1134263182.db2.gz IKRPLZMMFVGZAO-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1 ZINC001368523286 1134273995 /nfs/dbraw/zinc/27/39/95/1134273995.db2.gz XLSRKVKNAIVBGF-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001368532621 1134278857 /nfs/dbraw/zinc/27/88/57/1134278857.db2.gz AXQHUBOLMFVOGN-OKILXGFUSA-N 2 0 325.457 -0.164 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001368536818 1134282565 /nfs/dbraw/zinc/28/25/65/1134282565.db2.gz OJXYYZKKXCRESG-OWCLPIDISA-N 2 0 335.452 -0.176 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001368569430 1134295533 /nfs/dbraw/zinc/29/55/33/1134295533.db2.gz AGRSGTZVBCEENS-GVXVVHGQSA-N 2 0 327.429 -0.748 20 0 EBADRP CNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001368618757 1134330535 /nfs/dbraw/zinc/33/05/35/1134330535.db2.gz WFLDUFQUACORPH-WMLDXEAASA-N 2 0 338.452 -0.983 20 0 EBADRP CNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001368620122 1134331478 /nfs/dbraw/zinc/33/14/78/1134331478.db2.gz DCLRAUFXPIUFTE-CZUORRHYSA-N 2 0 326.441 -0.840 20 0 EBADRP CC[C@@H](C(=O)NC1(C[NH2+][C@H]2CCN(C)C2=O)CCOCC1)[NH+](C)C ZINC001368636128 1134347612 /nfs/dbraw/zinc/34/76/12/1134347612.db2.gz IGSFPRJJKRLSRM-KBPBESRZSA-N 2 0 340.468 -0.188 20 0 EBADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)NC ZINC001368653140 1134356942 /nfs/dbraw/zinc/35/69/42/1134356942.db2.gz NCRAWVYOUUNCNH-HZSPNIEDSA-N 2 0 326.441 -0.720 20 0 EBADRP C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001368673833 1134370604 /nfs/dbraw/zinc/37/06/04/1134370604.db2.gz NQMQGPMKWUCSEE-UPJWGTAASA-N 2 0 339.440 -0.650 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CCN(C2C[NH+](C[C@@H](C)O)C2)CC1 ZINC001368674905 1134372180 /nfs/dbraw/zinc/37/21/80/1134372180.db2.gz XQDNBTPCCYLKQO-GDBMZVCRSA-N 2 0 344.475 -0.125 20 0 EBADRP CC[C@H](C(=O)N1CCC(O)(C[NH2+]CC(=O)NC2CC2)CC1)[NH+](C)C ZINC001368683027 1134380539 /nfs/dbraw/zinc/38/05/39/1134380539.db2.gz QATXAIGKGMFUHQ-CQSZACIVSA-N 2 0 340.468 -0.452 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCC(O)(C[NH2+][C@@H](C)C(N)=O)CC1)[NH+](C)C ZINC001368684083 1134383124 /nfs/dbraw/zinc/38/31/24/1134383124.db2.gz RZNAGEKNDDILOC-STQMWFEESA-N 2 0 328.457 -0.611 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C[NH2+][C@@H](C)C(N)=O)CC2)CC[N@@H+]1C ZINC001368685462 1134385115 /nfs/dbraw/zinc/38/51/15/1134385115.db2.gz HYGHDMNEFGUKSA-MELADBBJSA-N 2 0 340.468 -0.466 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC(N)=O)CC[C@@H]2C1 ZINC001368733968 1134412890 /nfs/dbraw/zinc/41/28/90/1134412890.db2.gz MDGONRFHTKOSPY-FRRDWIJNSA-N 2 0 337.424 -0.944 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001368751508 1134418120 /nfs/dbraw/zinc/41/81/20/1134418120.db2.gz BCGGQUGNLCFDFY-QWHCGFSZSA-N 2 0 341.456 -0.118 20 0 EBADRP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC(=O)NC(=O)NC)[NH+](C)C ZINC001368777678 1134435780 /nfs/dbraw/zinc/43/57/80/1134435780.db2.gz PGGJRPCXCOXXBL-STQMWFEESA-N 2 0 341.456 -0.247 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC1CC(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001368808568 1134450524 /nfs/dbraw/zinc/45/05/24/1134450524.db2.gz HQLHHNIIWPTRCH-BPCQOVAHSA-N 2 0 339.440 -0.460 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2(CCO)C[NH+](C[C@@H]3CCCOC3)C2)C1 ZINC001369035563 1134542081 /nfs/dbraw/zinc/54/20/81/1134542081.db2.gz QVNRLGHYRDLXPA-LSDHHAIUSA-N 2 0 325.453 -0.082 20 0 EBADRP CCCC[C@@H](C[NH2+]CC(=O)NC(=O)NC)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001369060083 1134547839 /nfs/dbraw/zinc/54/78/39/1134547839.db2.gz RIEDYQFALDDSPE-QWHCGFSZSA-N 2 0 341.456 -0.199 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)CC1(C)C ZINC001369121617 1134575993 /nfs/dbraw/zinc/57/59/93/1134575993.db2.gz YFCUMDUVUNOMBC-CYBMUJFWSA-N 2 0 325.457 -0.210 20 0 EBADRP C[C@H]([NH2+]CC(=O)N(C)C)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001369158614 1134599273 /nfs/dbraw/zinc/59/92/73/1134599273.db2.gz NAJGTBTYPRKAJA-UONOGXRCSA-N 2 0 338.452 -0.624 20 0 EBADRP CNC(=O)C[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001369158241 1134599448 /nfs/dbraw/zinc/59/94/48/1134599448.db2.gz VWMDSJPUNHKLQC-OCCSQVGLSA-N 2 0 326.441 -0.578 20 0 EBADRP CC[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1)C(N)=O ZINC001369176172 1134606838 /nfs/dbraw/zinc/60/68/38/1134606838.db2.gz AVSJRHLOILNMGG-ZQDZILKHSA-N 2 0 340.468 -0.297 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001369175924 1134606914 /nfs/dbraw/zinc/60/69/14/1134606914.db2.gz IYPSTNIXUGIFHL-IJLUTSLNSA-N 2 0 327.429 -0.604 20 0 EBADRP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C1CCC1)C(=O)NC(N)=O ZINC001369248771 1134629072 /nfs/dbraw/zinc/62/90/72/1134629072.db2.gz BSDUKFPNERLVMX-WDEREUQCSA-N 2 0 327.429 -0.509 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001369263355 1134634497 /nfs/dbraw/zinc/63/44/97/1134634497.db2.gz FHWCDLYVYUEAQC-OLZOCXBDSA-N 2 0 341.456 -0.247 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001369278346 1134638976 /nfs/dbraw/zinc/63/89/76/1134638976.db2.gz QMTCQDNYNVNMEA-LBPRGKRZSA-N 2 0 341.456 -0.390 20 0 EBADRP C[C@@H](CN(C)C(=O)COC1CC[NH+](C)CC1)[NH2+]CCS(C)(=O)=O ZINC001369280581 1134639091 /nfs/dbraw/zinc/63/90/91/1134639091.db2.gz FRPXEJRLYCYFFA-ZDUSSCGKSA-N 2 0 349.497 -0.422 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001369293390 1134642608 /nfs/dbraw/zinc/64/26/08/1134642608.db2.gz MTDWEIRXYOLWQD-VXGBXAGGSA-N 2 0 329.445 -0.391 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001369321796 1134661842 /nfs/dbraw/zinc/66/18/42/1134661842.db2.gz FPFTWVMJTVAQTF-ZDUSSCGKSA-N 2 0 328.457 -0.596 20 0 EBADRP CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001369350154 1134699846 /nfs/dbraw/zinc/69/98/46/1134699846.db2.gz RNHKXOWOANOIEE-HIFRSBDPSA-N 2 0 342.484 -0.350 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC001369359172 1134710431 /nfs/dbraw/zinc/71/04/31/1134710431.db2.gz FBOLEUPSSJXYKM-BBRMVZONSA-N 2 0 348.447 -0.306 20 0 EBADRP CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC1CCS(=O)(=O)CC1)[NH+](C)C ZINC001369364951 1134719827 /nfs/dbraw/zinc/71/98/27/1134719827.db2.gz OHPHPJAZLGDJHL-KGLIPLIRSA-N 2 0 349.497 -0.782 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccn(C)c(=O)c1)[NH+](C)C ZINC001369369609 1134725594 /nfs/dbraw/zinc/72/55/94/1134725594.db2.gz LHEHAKOXRGGCBU-GOEBONIOSA-N 2 0 338.452 -0.462 20 0 EBADRP C[C@H]([NH2+][C@@H](CO)CNC(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001369375964 1134734140 /nfs/dbraw/zinc/73/41/40/1134734140.db2.gz CVHWLNBEIBYBBH-SMDDNHRTSA-N 2 0 326.441 -0.951 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001369376865 1134735391 /nfs/dbraw/zinc/73/53/91/1134735391.db2.gz XQEHXEWMIMADFS-QWHCGFSZSA-N 2 0 341.456 -0.247 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)[NH2+]CCN2CCCC2=O)C1 ZINC001369382335 1134743375 /nfs/dbraw/zinc/74/33/75/1134743375.db2.gz POGMZPCVYDAYLW-KBPBESRZSA-N 2 0 326.441 -0.983 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)[NH2+]CCN2CCCC2=O)C1 ZINC001369382340 1134743482 /nfs/dbraw/zinc/74/34/82/1134743482.db2.gz POGMZPCVYDAYLW-KGLIPLIRSA-N 2 0 326.441 -0.983 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C(C)(C)C1 ZINC001369455341 1134794150 /nfs/dbraw/zinc/79/41/50/1134794150.db2.gz IHGQFMRVJJYQAZ-NWDGAFQWSA-N 2 0 341.456 -0.263 20 0 EBADRP Cc1nn(C)cc1C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001369467181 1134813955 /nfs/dbraw/zinc/81/39/55/1134813955.db2.gz LJVHWVRPSJFFKK-IAGOWNOFSA-N 2 0 349.479 -0.021 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001369476312 1134836496 /nfs/dbraw/zinc/83/64/96/1134836496.db2.gz ZJCDOJXZWDSQNE-OAHLLOKOSA-N 2 0 342.484 -0.348 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001369477698 1134840079 /nfs/dbraw/zinc/84/00/79/1134840079.db2.gz VWLUELZHMPGENV-MLGOLLRUSA-N 2 0 346.447 -0.646 20 0 EBADRP C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)CC[NH+](C)C)C(=O)NC(C)(C)C ZINC001369478629 1134843340 /nfs/dbraw/zinc/84/33/40/1134843340.db2.gz ALLPFCMTBIMRFL-STQMWFEESA-N 2 0 330.473 -0.350 20 0 EBADRP CC1CC[NH+](CC(=O)N(C)C[C@H](O)C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001369483376 1134851783 /nfs/dbraw/zinc/85/17/83/1134851783.db2.gz NBINFUNUDRPXIN-ZIAGYGMSSA-N 2 0 326.441 -0.984 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC2CC2)C1 ZINC001369484223 1134852671 /nfs/dbraw/zinc/85/26/71/1134852671.db2.gz PTKVKORFRYPFLZ-JSGCOSHPSA-N 2 0 326.441 -0.984 20 0 EBADRP CC(C)(C(=O)NCCN1CC[NH+](CCCO)CC1)[NH+]1CCCC1 ZINC001369921435 1135095292 /nfs/dbraw/zinc/09/52/92/1135095292.db2.gz VZTQHTHZWZNKCO-UHFFFAOYSA-N 2 0 326.485 -0.023 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1)C(=O)NC(N)=O ZINC001370485123 1135370269 /nfs/dbraw/zinc/37/02/69/1135370269.db2.gz QHJNLIAVGSZYNB-ZDEQEGDKSA-N 2 0 339.440 -0.319 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001370560272 1135409658 /nfs/dbraw/zinc/40/96/58/1135409658.db2.gz IHPPJNPQFYHLLB-SRVKXCTJSA-N 2 0 325.413 -0.979 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001370669749 1135475014 /nfs/dbraw/zinc/47/50/14/1135475014.db2.gz HCDVLYMRMKDUKD-FZKCQIBNSA-N 2 0 335.452 -0.035 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001370670202 1135475852 /nfs/dbraw/zinc/47/58/52/1135475852.db2.gz VSUOTXIDUUWYFH-MELADBBJSA-N 2 0 331.482 0.000 20 0 EBADRP CC(C)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001370714228 1135536550 /nfs/dbraw/zinc/53/65/50/1135536550.db2.gz GBDQDYPWWFQYPU-KFWWJZLASA-N 2 0 340.468 -0.284 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCc3cccnc3)C2)C1 ZINC001370718623 1135542095 /nfs/dbraw/zinc/54/20/95/1135542095.db2.gz VSQQOEVBUUWNKU-OAGGEKHMSA-N 2 0 345.447 -0.114 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@@H](CO)NC(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001370728251 1135556321 /nfs/dbraw/zinc/55/63/21/1135556321.db2.gz HSERAVWKMZYWSH-KBPBESRZSA-N 2 0 340.468 -0.594 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001370811871 1135653398 /nfs/dbraw/zinc/65/33/98/1135653398.db2.gz YZIVYZJMZXHBHH-RYUDHWBXSA-N 2 0 325.413 -0.896 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001370982226 1135732847 /nfs/dbraw/zinc/73/28/47/1135732847.db2.gz KHTYLHGENRKOMV-KGLIPLIRSA-N 2 0 342.484 -0.254 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1O ZINC001371467503 1135926872 /nfs/dbraw/zinc/92/68/72/1135926872.db2.gz FWRWHDYFUCUOOC-HZSPNIEDSA-N 2 0 326.441 -0.890 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]CC(=O)NC1CCOCC1 ZINC001371474868 1135931333 /nfs/dbraw/zinc/93/13/33/1135931333.db2.gz OQHQYZAIVQDTGA-ZDUSSCGKSA-N 2 0 328.457 -0.284 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001371512934 1135942276 /nfs/dbraw/zinc/94/22/76/1135942276.db2.gz PPXWIBILENUNEX-RYUDHWBXSA-N 2 0 325.413 -0.755 20 0 EBADRP C[NH+](C)CCCC(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001371531384 1135955548 /nfs/dbraw/zinc/95/55/48/1135955548.db2.gz UZEANPPQBDJDFC-MCIONIFRSA-N 2 0 326.441 -0.890 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001371533824 1135957668 /nfs/dbraw/zinc/95/76/68/1135957668.db2.gz BAWAXWZKPHSCMI-KFWWJZLASA-N 2 0 340.468 -0.642 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001371543517 1135964577 /nfs/dbraw/zinc/96/45/77/1135964577.db2.gz FHKQTVCGLDSQGL-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@H+](CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1)C1CCC1 ZINC001371567843 1135972030 /nfs/dbraw/zinc/97/20/30/1135972030.db2.gz OPULIWHBCXGVHH-NSHDSACASA-N 2 0 325.413 -0.896 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001371835835 1136030109 /nfs/dbraw/zinc/03/01/09/1136030109.db2.gz DHYFFDGZJZLFEW-CABCVRRESA-N 2 0 342.484 -0.254 20 0 EBADRP C[C@H](CCNC(=O)COC1CC[NH+](C)CC1)[NH2+][C@H]1CCCNC1=O ZINC001371862641 1136043817 /nfs/dbraw/zinc/04/38/17/1136043817.db2.gz NHBWXHGPHMMHSD-HIFRSBDPSA-N 2 0 340.468 -0.140 20 0 EBADRP COC[C@H](O)C[N@@H+]1CC[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001373238642 1136405633 /nfs/dbraw/zinc/40/56/33/1136405633.db2.gz PFBUHFRVGPULQN-HUUCEWRRSA-N 2 0 325.453 -0.082 20 0 EBADRP C[N@H+](CCN1CCNC1=O)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001373312025 1136425881 /nfs/dbraw/zinc/42/58/81/1136425881.db2.gz KOEFHAIKYPODQR-HUUCEWRRSA-N 2 0 337.468 -0.256 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](C[C@H](O)CN2CCCC2=O)C1 ZINC001373608559 1136513581 /nfs/dbraw/zinc/51/35/81/1136513581.db2.gz NBELWLCFFROCBX-GJZGRUSLSA-N 2 0 340.468 -0.498 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001373961359 1136593613 /nfs/dbraw/zinc/59/36/13/1136593613.db2.gz OJEPGGBVXXRAGJ-BZUAXINKSA-N 2 0 325.453 -0.084 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001373971173 1136596043 /nfs/dbraw/zinc/59/60/43/1136596043.db2.gz WNGGOSIWWHEPSP-NWDGAFQWSA-N 2 0 327.429 -0.508 20 0 EBADRP C[C@H](CNC(=O)[C@H]1CCc2nccn2C1)C[NH2+]Cc1nnnn1C ZINC001374041700 1136611828 /nfs/dbraw/zinc/61/18/28/1136611828.db2.gz XWGOACKVDNIPMJ-RYUDHWBXSA-N 2 0 332.412 -0.489 20 0 EBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001374108908 1136624120 /nfs/dbraw/zinc/62/41/20/1136624120.db2.gz MPAFWYOHUXHLGD-ZIAGYGMSSA-N 2 0 331.482 -0.141 20 0 EBADRP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C[NH2+]CC(=O)NC(N)=O ZINC001374112314 1136624381 /nfs/dbraw/zinc/62/43/81/1136624381.db2.gz NDTCSCHDNYDWTF-GFCCVEGCSA-N 2 0 349.435 -0.101 20 0 EBADRP C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001374227098 1136653064 /nfs/dbraw/zinc/65/30/64/1136653064.db2.gz UZPGOGGZNGLHAZ-AAEUAGOBSA-N 2 0 336.440 -0.613 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001374323542 1136673782 /nfs/dbraw/zinc/67/37/82/1136673782.db2.gz CPJBRJUYZCGBQM-NWDGAFQWSA-N 2 0 327.429 -0.637 20 0 EBADRP C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001374326370 1136674835 /nfs/dbraw/zinc/67/48/35/1136674835.db2.gz GHOKIFLZXPZSOM-CYBMUJFWSA-N 2 0 338.456 -0.079 20 0 EBADRP C[C@H](C[NH2+]CC(=O)Nc1cnccn1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001374329926 1136675409 /nfs/dbraw/zinc/67/54/09/1136675409.db2.gz ZJZBDXSBNXVIJN-OLZOCXBDSA-N 2 0 334.424 -0.197 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001374378687 1136680167 /nfs/dbraw/zinc/68/01/67/1136680167.db2.gz APIVBTZBJJTWNG-CHWSQXEVSA-N 2 0 341.456 -0.390 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001374385424 1136681188 /nfs/dbraw/zinc/68/11/88/1136681188.db2.gz PBAKXWBFKGVJJL-STQMWFEESA-N 2 0 339.440 -0.636 20 0 EBADRP C[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001374395678 1136682672 /nfs/dbraw/zinc/68/26/72/1136682672.db2.gz PMIOPSDRBMLJOQ-NWDGAFQWSA-N 2 0 327.429 -0.650 20 0 EBADRP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001374433879 1136687613 /nfs/dbraw/zinc/68/76/13/1136687613.db2.gz LIHUJXDTWCDOBW-OLZOCXBDSA-N 2 0 338.456 -0.319 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCNS(C)(=O)=O)C1 ZINC001374560704 1136719086 /nfs/dbraw/zinc/71/90/86/1136719086.db2.gz DUNGHRGOYKNDAL-ZIAGYGMSSA-N 2 0 346.497 -0.590 20 0 EBADRP COc1ccnc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001374607354 1136742921 /nfs/dbraw/zinc/74/29/21/1136742921.db2.gz VSKJSDGCBFLFHX-WBVHZDCISA-N 2 0 348.447 -0.001 20 0 EBADRP CC(C)CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001374616338 1136749738 /nfs/dbraw/zinc/74/97/38/1136749738.db2.gz GFIRIVRKDCSXRZ-ZIAGYGMSSA-N 2 0 328.457 -0.690 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)C[NH2+]CC(=O)NC(C)(C)C ZINC001374617793 1136752101 /nfs/dbraw/zinc/75/21/01/1136752101.db2.gz WONPAWSONIHAGG-ZIAGYGMSSA-N 2 0 342.484 -0.158 20 0 EBADRP Cc1cnc(C[NH2+]C[C@H](O)CNC(=O)C23CCC[NH+]2CCC3)cn1 ZINC001374624157 1136756176 /nfs/dbraw/zinc/75/61/76/1136756176.db2.gz MQIHRCDKXPFSOL-HNNXBMFYSA-N 2 0 333.436 -0.020 20 0 EBADRP Cc1c(C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C)ccc2c[nH+]cn21 ZINC001374626076 1136757935 /nfs/dbraw/zinc/75/79/35/1136757935.db2.gz SQEQNFVKQGXIOC-CYBMUJFWSA-N 2 0 333.392 -0.589 20 0 EBADRP COc1nccc(C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+]2CC[C@H](C)C2)n1 ZINC001374652022 1136775800 /nfs/dbraw/zinc/77/58/00/1136775800.db2.gz HSGWKLPQPOAHGU-GXTWGEPZSA-N 2 0 337.424 -0.606 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001374654628 1136777777 /nfs/dbraw/zinc/77/77/77/1136777777.db2.gz WFGQFUYIQYQZLR-ZIAGYGMSSA-N 2 0 338.452 -0.767 20 0 EBADRP COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+]2CC[C@@H](C)C2)nn1 ZINC001374656992 1136779892 /nfs/dbraw/zinc/77/98/92/1136779892.db2.gz QBEDRXAMPJWCKA-TZMCWYRMSA-N 2 0 337.424 -0.606 20 0 EBADRP CN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)CC[NH+]2CCCCC2)C1=O ZINC001374680651 1136797706 /nfs/dbraw/zinc/79/77/06/1136797706.db2.gz BQLYVLBGYXFASC-ZIAGYGMSSA-N 2 0 326.441 -0.840 20 0 EBADRP O=C(CC[NH+]1CCCCC1)NC[C@@H](O)C[NH2+]Cc1cnns1 ZINC001374685608 1136800994 /nfs/dbraw/zinc/80/09/94/1136800994.db2.gz PLYJWRIABKBVBS-LBPRGKRZSA-N 2 0 327.454 -0.019 20 0 EBADRP C[C@H](CC[NH2+][C@@H]1CCN(C)C1=O)NC(=O)COC1CC[NH+](C)CC1 ZINC001374705471 1136808712 /nfs/dbraw/zinc/80/87/12/1136808712.db2.gz OONIITIIPBLEGW-UKRRQHHQSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC[C@@H]1CCCO1)NC(=O)C1([NH+](C)C)CCC1 ZINC001374769550 1136827299 /nfs/dbraw/zinc/82/72/99/1136827299.db2.gz DJOLDXALBOIWPD-KGLIPLIRSA-N 2 0 340.468 -0.140 20 0 EBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000343769674 291078813 /nfs/dbraw/zinc/07/88/13/291078813.db2.gz AZWSBENVWLAUBA-AWEZNQCLSA-N 2 0 326.441 -0.670 20 0 EBADRP CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000246182250 283381998 /nfs/dbraw/zinc/38/19/98/283381998.db2.gz KKGAZKBUCDHDLH-LSDHHAIUSA-N 2 0 342.484 -0.227 20 0 EBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000643543683 375890415 /nfs/dbraw/zinc/89/04/15/375890415.db2.gz FBFOGZPUDDZXKG-KGLIPLIRSA-N 2 0 328.457 -0.249 20 0 EBADRP CN1CCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)[C@@H](C[NH3+])C1 ZINC000643577709 375910032 /nfs/dbraw/zinc/91/00/32/375910032.db2.gz RBGBDGALFWQFDN-GJZGRUSLSA-N 2 0 337.468 -0.826 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000625025081 375956421 /nfs/dbraw/zinc/95/64/21/375956421.db2.gz LADBPWOERDMUOX-ZNMIVQPWSA-N 2 0 340.468 -0.106 20 0 EBADRP O[C@@H]1CC[NH+](CCNc2cnc(NCC[N@H+]3CC[C@@H](O)C3)cn2)C1 ZINC000624683725 375929391 /nfs/dbraw/zinc/92/93/91/375929391.db2.gz ZZSAIJIUNNXAGG-ZIAGYGMSSA-N 2 0 336.440 -0.566 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CCSC1 ZINC000642768873 376088228 /nfs/dbraw/zinc/08/82/28/376088228.db2.gz MXEMNAXYHRFHSX-ZWUHOBOKSA-N 2 0 340.493 -0.264 20 0 EBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000642782927 376121249 /nfs/dbraw/zinc/12/12/49/376121249.db2.gz GWHQDLCQQVLADG-CYBMUJFWSA-N 2 0 336.436 -0.251 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)CCO1 ZINC000642780499 376119838 /nfs/dbraw/zinc/11/98/38/376119838.db2.gz HXSVNJFIZXMBHP-XJKSGUPXSA-N 2 0 348.447 -0.061 20 0 EBADRP OC[C@@]1(O)CCC[NH+](CCCCC[N@H+]2CCC[C@](O)(CO)C2)C1 ZINC000568779005 376188521 /nfs/dbraw/zinc/18/85/21/376188521.db2.gz JXSBAOMWPZEFMG-IAGOWNOFSA-N 2 0 330.469 -0.205 20 0 EBADRP Cn1nnnc1SCCC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000557026482 376157344 /nfs/dbraw/zinc/15/73/44/376157344.db2.gz CNQSSDQMMRCQJB-UHFFFAOYSA-N 2 0 329.474 -0.356 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000565882980 376226810 /nfs/dbraw/zinc/22/68/10/376226810.db2.gz XSPGTGYXHRWWFO-CABCVRRESA-N 2 0 339.484 -0.676 20 0 EBADRP CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000564933468 376411105 /nfs/dbraw/zinc/41/11/05/376411105.db2.gz ABXNZSUMDAEWHN-AWEZNQCLSA-N 2 0 337.472 -0.370 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)C[NH+]1CCCC1 ZINC000642886786 376451335 /nfs/dbraw/zinc/45/13/35/376451335.db2.gz DTEKAOLLDSHLNW-MGPQQGTHSA-N 2 0 326.441 -0.591 20 0 EBADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)[NH+](C)C1 ZINC000410478630 376470591 /nfs/dbraw/zinc/47/05/91/376470591.db2.gz OFBMGVXOHAQKDY-ILXRZTDVSA-N 2 0 340.468 -0.284 20 0 EBADRP C[C@H](C[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000575116726 376512806 /nfs/dbraw/zinc/51/28/06/376512806.db2.gz KLTYYWHJWHQBRI-BDXSIMOUSA-N 2 0 342.528 -0.070 20 0 EBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000642909526 376705613 /nfs/dbraw/zinc/70/56/13/376705613.db2.gz ORIYCXIJFNXMOQ-CQSZACIVSA-N 2 0 340.468 -0.199 20 0 EBADRP Cc1ccnc(N2CCN(C(=O)C(=O)NCC[NH2+]C3CC3)CC2)c1 ZINC000642917690 376750289 /nfs/dbraw/zinc/75/02/89/376750289.db2.gz CWSHIMFQRCXGLG-UHFFFAOYSA-N 2 0 331.420 -0.093 20 0 EBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919123 376752908 /nfs/dbraw/zinc/75/29/08/376752908.db2.gz OYSFXBDZKFLKKP-CYBMUJFWSA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@H](NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)C(C)(C)C[NH+](C)C ZINC000566513090 376858010 /nfs/dbraw/zinc/85/80/10/376858010.db2.gz TZYBFIHEBZNWHW-RWMBFGLXSA-N 2 0 325.457 -0.084 20 0 EBADRP C[C@H](NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)C(C)(C)C[NH+](C)C ZINC000566513093 376858321 /nfs/dbraw/zinc/85/83/21/376858321.db2.gz TZYBFIHEBZNWHW-XQQFMLRXSA-N 2 0 325.457 -0.084 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000564716585 376863610 /nfs/dbraw/zinc/86/36/10/376863610.db2.gz GZXFZCGWZSXRQG-QLFBSQMISA-N 2 0 337.468 -0.162 20 0 EBADRP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1cnn(C)c1 ZINC000561850312 376884748 /nfs/dbraw/zinc/88/47/48/376884748.db2.gz NIOGICFSTSWNRZ-ZDUSSCGKSA-N 2 0 338.456 -0.451 20 0 EBADRP C[NH+](C)CC(=O)N1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635264027 376921017 /nfs/dbraw/zinc/92/10/17/376921017.db2.gz UDBBFOCPFCNRTH-UHFFFAOYSA-N 2 0 340.468 -0.423 20 0 EBADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC1=O ZINC000635933486 377140673 /nfs/dbraw/zinc/14/06/73/377140673.db2.gz IIRIKXKEMOHBQD-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000569957973 377188078 /nfs/dbraw/zinc/18/80/78/377188078.db2.gz YIOODFHFNJSFLC-RBSFLKMASA-N 2 0 338.452 -0.352 20 0 EBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCc3ccc4c[nH+]cn4c3)CCN2C1=O ZINC000570409692 377244622 /nfs/dbraw/zinc/24/46/22/377244622.db2.gz BBPUFCLYYXLVJY-UONOGXRCSA-N 2 0 328.376 -0.212 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000570030474 377199811 /nfs/dbraw/zinc/19/98/11/377199811.db2.gz OBYZLEWBOSATPM-CQSZACIVSA-N 3 0 327.473 -0.804 20 0 EBADRP C[C@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC[N@@H+]1C ZINC000572790743 377292405 /nfs/dbraw/zinc/29/24/05/377292405.db2.gz LLIFKSRTOYOFEH-LSDHHAIUSA-N 3 0 341.500 -0.463 20 0 EBADRP CN(C[C@H](O)C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)C1CC1 ZINC000580305689 377454860 /nfs/dbraw/zinc/45/48/60/377454860.db2.gz QUBQVQLJCAMRLL-QGZVFWFLSA-N 2 0 340.512 -0.172 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627372086 377510324 /nfs/dbraw/zinc/51/03/24/377510324.db2.gz BTZGCADWUODRAT-CYBMUJFWSA-N 2 0 326.441 -0.399 20 0 EBADRP CC[NH+]1CCN([C@@H]2CCN(S(=O)(=O)C[C@H]3C[NH2+]CCO3)C2)CC1 ZINC000601339386 377529208 /nfs/dbraw/zinc/52/92/08/377529208.db2.gz CKHJYNLPWYEWCN-HUUCEWRRSA-N 2 0 346.497 -0.984 20 0 EBADRP COC(=O)[C@@H]1C[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C[C@H]1C1CC1 ZINC000592999887 377869133 /nfs/dbraw/zinc/86/91/33/377869133.db2.gz FUFAODDBMWXKHV-MJBXVCDLSA-N 2 0 337.420 -0.194 20 0 EBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)CCN2C1=O ZINC000594879655 377967554 /nfs/dbraw/zinc/96/75/54/377967554.db2.gz FTKXHFXRGNSBLL-RBSFLKMASA-N 2 0 336.436 -0.600 20 0 EBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CCN2C1=O ZINC000595270604 377987523 /nfs/dbraw/zinc/98/75/23/377987523.db2.gz FPOCBJDKXGSUQF-KBUPBQIOSA-N 2 0 335.452 -0.043 20 0 EBADRP C[NH2+]Cc1ccccc1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595271234 377987787 /nfs/dbraw/zinc/98/77/87/377987787.db2.gz JLJQTHGBTOMTOD-LSDHHAIUSA-N 2 0 331.420 -0.141 20 0 EBADRP C[NH2+]Cc1ccccc1CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595271228 377988000 /nfs/dbraw/zinc/98/80/00/377988000.db2.gz JLJQTHGBTOMTOD-CABCVRRESA-N 2 0 331.420 -0.141 20 0 EBADRP COC(=O)CCN1CCN(C(=O)NCCOCCC[NH3+])[C@H](C)C1 ZINC000599935099 378284878 /nfs/dbraw/zinc/28/48/78/378284878.db2.gz QRJNUDZMMPVYRB-CYBMUJFWSA-N 2 0 330.429 -0.369 20 0 EBADRP COC(=O)c1cnn(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000599346596 378228759 /nfs/dbraw/zinc/22/87/59/378228759.db2.gz LFPOUUQUYIDNSD-UHFFFAOYSA-N 2 0 325.413 -0.379 20 0 EBADRP CC1(O)CCN(c2cc(N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)ncn2)CC1 ZINC000601983190 378329962 /nfs/dbraw/zinc/32/99/62/378329962.db2.gz LMFGJGUQRLPGDU-CHWSQXEVSA-N 2 0 346.435 -0.424 20 0 EBADRP CCOC[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000563147739 378453508 /nfs/dbraw/zinc/45/35/08/378453508.db2.gz YEADCRNEKSFEDB-OAHLLOKOSA-N 2 0 342.484 -0.177 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000637129020 378500016 /nfs/dbraw/zinc/50/00/16/378500016.db2.gz DOXGZGZLMVLYEI-GJZGRUSLSA-N 2 0 340.468 -0.378 20 0 EBADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000338278928 378751592 /nfs/dbraw/zinc/75/15/92/378751592.db2.gz IOBBSTGGFJWXBF-HNNXBMFYSA-N 2 0 332.514 -0.163 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)CN1CCOCC1 ZINC000339632914 378961408 /nfs/dbraw/zinc/96/14/08/378961408.db2.gz XPVPURACSOPZMF-ZDUSSCGKSA-N 2 0 326.441 -0.719 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000563648783 379066543 /nfs/dbraw/zinc/06/65/43/379066543.db2.gz QBIFIQZQALJZPI-AWEZNQCLSA-N 3 0 327.473 -0.804 20 0 EBADRP Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)[NH+](C)C)cc1 ZINC000627287438 379073636 /nfs/dbraw/zinc/07/36/36/379073636.db2.gz VMOOOZXEADNEGD-JKSUJKDBSA-N 2 0 348.447 -0.181 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000339964059 379110460 /nfs/dbraw/zinc/11/04/60/379110460.db2.gz KAVSYKBEHULNIL-AWEZNQCLSA-N 2 0 338.452 -0.434 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000627291288 379121863 /nfs/dbraw/zinc/12/18/63/379121863.db2.gz PSKPOPWQXFTSTE-UHFFFAOYSA-N 2 0 328.457 -0.281 20 0 EBADRP CCOC1CC(CNC(=O)N[C@H]2CC[NH2+]C2)(N2CCOCC2)C1 ZINC000571299925 379124817 /nfs/dbraw/zinc/12/48/17/379124817.db2.gz OQETXONWDOKCIY-HLIUYOAVSA-N 2 0 326.441 -0.083 20 0 EBADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N1CC[C@@H]([NH+]3CC=CC3)C1)C2 ZINC000629821775 379162758 /nfs/dbraw/zinc/16/27/58/379162758.db2.gz CXSJZSJYJNWXPC-OLMNPRSZSA-N 2 0 332.448 -0.083 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000629793796 379138755 /nfs/dbraw/zinc/13/87/55/379138755.db2.gz LSRQARBHAAYGSQ-UHFFFAOYSA-N 2 0 328.457 -0.377 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000629799653 379142964 /nfs/dbraw/zinc/14/29/64/379142964.db2.gz SMHIUZMCFTWXHE-CQSZACIVSA-N 2 0 326.441 -0.636 20 0 EBADRP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627296230 379143610 /nfs/dbraw/zinc/14/36/10/379143610.db2.gz ALZHUSQSMUHFIB-CVEARBPZSA-N 2 0 346.431 -0.653 20 0 EBADRP CN(CCOCCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCC[NH+]1C ZINC000619325606 379183563 /nfs/dbraw/zinc/18/35/63/379183563.db2.gz VCRGHQOAMREGND-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000571538418 379212603 /nfs/dbraw/zinc/21/26/03/379212603.db2.gz WAVFIGCZTGKMMP-AWEZNQCLSA-N 2 0 341.456 -0.926 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)NCC1([NH3+])CCOCC1)Cc1ccccc1 ZINC000627303429 379233883 /nfs/dbraw/zinc/23/38/83/379233883.db2.gz RFXWEAFMQPWDGT-UHFFFAOYSA-N 2 0 348.447 -0.141 20 0 EBADRP O=C(NC[C@H]1CN(C2CC2)CCO1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000458805271 379235395 /nfs/dbraw/zinc/23/53/95/379235395.db2.gz XVZAUZVZPWRHLB-HOTGVXAUSA-N 2 0 340.468 -0.004 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH+]2CCCO)C1 ZINC000458443769 379223182 /nfs/dbraw/zinc/22/31/82/379223182.db2.gz UIGMMUXPGWPEDL-LSDHHAIUSA-N 2 0 328.457 -0.147 20 0 EBADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)([NH+](C)C)C1 ZINC000627301706 379228485 /nfs/dbraw/zinc/22/84/85/379228485.db2.gz LZOLJWXWZOZUPF-CKEIUWERSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCC(=O)N1CCOCC1 ZINC000607229129 379244383 /nfs/dbraw/zinc/24/43/83/379244383.db2.gz DOMKFSPJYPSBJG-UHFFFAOYSA-N 2 0 343.472 -0.630 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000627306391 379279696 /nfs/dbraw/zinc/27/96/96/379279696.db2.gz YIFWDELPDDBOPB-GXTWGEPZSA-N 2 0 349.435 -0.495 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000627323877 379327535 /nfs/dbraw/zinc/32/75/35/379327535.db2.gz JPQDVWXUJDRDTM-UHFFFAOYSA-N 2 0 342.484 -0.083 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000627338737 379376356 /nfs/dbraw/zinc/37/63/56/379376356.db2.gz OUNBFPRATKWBOK-UHFFFAOYSA-N 2 0 333.436 -0.031 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622027455 379397207 /nfs/dbraw/zinc/39/72/07/379397207.db2.gz CLHRASCEMIIOFL-WMLDXEAASA-N 3 0 339.484 -0.722 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622028714 379399976 /nfs/dbraw/zinc/39/99/76/379399976.db2.gz VBNFFHAKAMWEQJ-CJNGLKHVSA-N 2 0 326.441 -0.637 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000627394826 379579711 /nfs/dbraw/zinc/57/97/11/379579711.db2.gz RANRHPFPFFSIKM-UHFFFAOYSA-N 2 0 326.441 -0.589 20 0 EBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000627400139 379583702 /nfs/dbraw/zinc/58/37/02/379583702.db2.gz KVHKUGOPDUUVFT-CQSZACIVSA-N 2 0 338.452 -0.432 20 0 EBADRP [NH3+]C1(CNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CCOCC1 ZINC000627452248 379603345 /nfs/dbraw/zinc/60/33/45/379603345.db2.gz FWVVWNGCISEAEJ-CQSZACIVSA-N 2 0 338.452 -0.445 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000627428588 379591874 /nfs/dbraw/zinc/59/18/74/379591874.db2.gz JGQDULATJFXWJK-OAHLLOKOSA-N 2 0 342.484 -0.083 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000627425690 379592423 /nfs/dbraw/zinc/59/24/23/379592423.db2.gz XFAYCLATZFUNLO-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000627427408 379592932 /nfs/dbraw/zinc/59/29/32/379592932.db2.gz DNAVPTISSZGVRP-CQSZACIVSA-N 2 0 340.468 -0.138 20 0 EBADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627429841 379595261 /nfs/dbraw/zinc/59/52/61/379595261.db2.gz BGZPEXCIGKILGV-HNNXBMFYSA-N 2 0 338.452 -0.671 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)CCO1 ZINC000642080373 379560388 /nfs/dbraw/zinc/56/03/88/379560388.db2.gz PDJHETZSKNTRPB-STQMWFEESA-N 2 0 326.441 -0.448 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000627376813 379571550 /nfs/dbraw/zinc/57/15/50/379571550.db2.gz OKRONOYDQPAVDN-CYBMUJFWSA-N 2 0 326.441 -0.553 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)C1 ZINC000627386820 379576039 /nfs/dbraw/zinc/57/60/39/379576039.db2.gz XZRSKQKPAKQQOV-UONOGXRCSA-N 2 0 326.441 -0.720 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2C(C)C)C1 ZINC000627386818 379577195 /nfs/dbraw/zinc/57/71/95/379577195.db2.gz XZRSKQKPAKQQOV-KBPBESRZSA-N 2 0 326.441 -0.720 20 0 EBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627453394 379606852 /nfs/dbraw/zinc/60/68/52/379606852.db2.gz MNPHUCBUUBXKHR-AWEZNQCLSA-N 2 0 340.468 -0.057 20 0 EBADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000627470157 379617491 /nfs/dbraw/zinc/61/74/91/379617491.db2.gz MKVJRNWTGHXNEJ-GJZGRUSLSA-N 2 0 338.452 -0.432 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000627472825 379618902 /nfs/dbraw/zinc/61/89/02/379618902.db2.gz ZUFZUIYCDYPKTB-CQSZACIVSA-N 2 0 338.452 -0.432 20 0 EBADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627472541 379619047 /nfs/dbraw/zinc/61/90/47/379619047.db2.gz SGBPUPHSWQCMDF-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627472699 379619387 /nfs/dbraw/zinc/61/93/87/379619387.db2.gz WOTOXPUEJZNIPH-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000627474877 379622711 /nfs/dbraw/zinc/62/27/11/379622711.db2.gz ZPPVZAKPNCSNTO-CQSZACIVSA-N 2 0 338.452 -0.432 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C[C@@H]1C ZINC000627473297 379622995 /nfs/dbraw/zinc/62/29/95/379622995.db2.gz KWNXFOABTANMPR-IHRRRGAJSA-N 2 0 326.441 -0.578 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CCCO1 ZINC000642190885 379733795 /nfs/dbraw/zinc/73/37/95/379733795.db2.gz AKANHFKKDKJSLP-LSDHHAIUSA-N 2 0 340.468 -0.138 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CCCO1 ZINC000642190882 379734495 /nfs/dbraw/zinc/73/44/95/379734495.db2.gz AKANHFKKDKJSLP-CABCVRRESA-N 2 0 340.468 -0.138 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000631953234 379791853 /nfs/dbraw/zinc/79/18/53/379791853.db2.gz GCVPFPUBJGPERY-LSDHHAIUSA-N 2 0 330.498 -0.233 20 0 EBADRP CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631953076 379791993 /nfs/dbraw/zinc/79/19/93/379791993.db2.gz BUCQLEWSQSGWCD-LLVKDONJSA-N 2 0 346.419 -0.225 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000631954375 379792019 /nfs/dbraw/zinc/79/20/19/379792019.db2.gz JWCAARADVLHPNS-AWEZNQCLSA-N 2 0 330.498 -0.172 20 0 EBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000631958381 379793524 /nfs/dbraw/zinc/79/35/24/379793524.db2.gz RHNCEAYQEPYWBJ-CABCVRRESA-N 2 0 347.481 -0.605 20 0 EBADRP [NH3+][C@@H](CCNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000631963751 379793884 /nfs/dbraw/zinc/79/38/84/379793884.db2.gz KMQZHHZVXSFERV-GJZGRUSLSA-N 2 0 327.450 -0.146 20 0 EBADRP CO[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1(C)C ZINC000564191380 379798969 /nfs/dbraw/zinc/79/89/69/379798969.db2.gz RSIHETKTZBUIDQ-UONOGXRCSA-N 2 0 342.484 -0.132 20 0 EBADRP [NH3+]C[C@H]1Cc2ccccc2N(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631996352 379799601 /nfs/dbraw/zinc/79/96/01/379799601.db2.gz AOBMMMQUOJBLIA-TZMCWYRMSA-N 2 0 325.434 -0.058 20 0 EBADRP C[C@H]1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@@H]1C[NH3+] ZINC000631944268 379759981 /nfs/dbraw/zinc/75/99/81/379759981.db2.gz RYWNIJUKEVAUNG-GJZGRUSLSA-N 2 0 332.514 -0.130 20 0 EBADRP [NH3+]CCCOCCNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000626979449 379769745 /nfs/dbraw/zinc/76/97/45/379769745.db2.gz BRGOGWQWSGFOKC-HNNXBMFYSA-N 2 0 343.472 -0.943 20 0 EBADRP C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CCO1 ZINC000631907082 379771006 /nfs/dbraw/zinc/77/10/06/379771006.db2.gz CPCQWGXCGAGABQ-ZIAGYGMSSA-N 2 0 334.486 -0.998 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000626986957 379772644 /nfs/dbraw/zinc/77/26/44/379772644.db2.gz RWSCVWZTVWZKBE-GJZGRUSLSA-N 2 0 327.473 -0.452 20 0 EBADRP C[N@@H+]1CCC[C@H](N2CCN(S(=O)(=O)C[C@@H]3C[NH2+]CCO3)CC2)C1 ZINC000631920310 379779819 /nfs/dbraw/zinc/77/98/19/379779819.db2.gz XCUNLWMDJVUMRZ-GJZGRUSLSA-N 2 0 346.497 -0.984 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000631929266 379784218 /nfs/dbraw/zinc/78/42/18/379784218.db2.gz ARBMGNADOQAGQT-OAHLLOKOSA-N 2 0 330.498 -0.361 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000631934477 379785013 /nfs/dbraw/zinc/78/50/13/379785013.db2.gz BXDZMQPWOYWMPX-UHFFFAOYSA-N 2 0 332.514 -0.067 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000631938889 379787641 /nfs/dbraw/zinc/78/76/41/379787641.db2.gz OQWWNBJBXOSNHK-CABCVRRESA-N 2 0 330.498 -0.363 20 0 EBADRP C[C@H]1CC[C@@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C[NH2+]1 ZINC000627210127 379838575 /nfs/dbraw/zinc/83/85/75/379838575.db2.gz MMQKQOPPLRRPFL-UONOGXRCSA-N 2 0 338.456 -0.521 20 0 EBADRP C[NH2+]CCOCCNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000627173780 379820750 /nfs/dbraw/zinc/82/07/50/379820750.db2.gz FFQNUDKWLZNLKF-JKSUJKDBSA-N 2 0 341.500 -0.110 20 0 EBADRP C[NH2+]CCOCCNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000627173779 379821206 /nfs/dbraw/zinc/82/12/06/379821206.db2.gz FFQNUDKWLZNLKF-HZPDHXFCSA-N 2 0 341.500 -0.110 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000633086359 379930598 /nfs/dbraw/zinc/93/05/98/379930598.db2.gz QEEKTWPKPZRISX-RBSFLKMASA-N 2 0 340.468 -0.391 20 0 EBADRP CN1CC[NH+](CC2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)CC1 ZINC000633083972 379930829 /nfs/dbraw/zinc/93/08/29/379930829.db2.gz XZSRPQGWUOJQFJ-HOTGVXAUSA-N 2 0 349.479 -0.955 20 0 EBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000633119136 379945896 /nfs/dbraw/zinc/94/58/96/379945896.db2.gz ORYIMHDYEVUAEQ-QLFBSQMISA-N 2 0 338.452 -0.495 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000633146447 379949360 /nfs/dbraw/zinc/94/93/60/379949360.db2.gz ORYIMHDYEVUAEQ-KFWWJZLASA-N 2 0 338.452 -0.495 20 0 EBADRP O=C(NC[C@@H]1CCCC[NH2+]1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000634271648 379992566 /nfs/dbraw/zinc/99/25/66/379992566.db2.gz VIDJTLOVGAJVNH-GJZGRUSLSA-N 2 0 337.468 -0.018 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000540960316 380020721 /nfs/dbraw/zinc/02/07/21/380020721.db2.gz LTPCYDNUAVEWCK-UHFFFAOYSA-N 2 0 339.444 -0.726 20 0 EBADRP CC[NH+]1CCN(CCCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000354730808 380089816 /nfs/dbraw/zinc/08/98/16/380089816.db2.gz ASRDFGYFLUPMIP-HNNXBMFYSA-N 2 0 339.484 -0.612 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000354691425 380081969 /nfs/dbraw/zinc/08/19/69/380081969.db2.gz MORHUQCREXYTTD-GJZGRUSLSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@@]2(C)C[NH2+]CCO2)c1 ZINC000638086507 380109768 /nfs/dbraw/zinc/10/97/68/380109768.db2.gz SJNVHKMSXGLMOI-GOSISDBHSA-N 2 0 348.447 -0.027 20 0 EBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)CN2CC[NH2+]CC2)c1 ZINC000638086770 380110719 /nfs/dbraw/zinc/11/07/19/380110719.db2.gz WGMVXXGNGPLCOJ-UHFFFAOYSA-N 2 0 347.463 -0.501 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638098967 380130233 /nfs/dbraw/zinc/13/02/33/380130233.db2.gz QVLFXSINPYUIMF-PBHICJAKSA-N 2 0 340.468 -0.234 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NCC[NH+]1CCC[C@H](C)C1 ZINC000340214317 380261168 /nfs/dbraw/zinc/26/11/68/380261168.db2.gz ULOBWGWTAYCOTL-AWEZNQCLSA-N 2 0 328.457 -0.471 20 0 EBADRP C[C@]1(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C[NH2+]CCO1 ZINC000638149645 380216175 /nfs/dbraw/zinc/21/61/75/380216175.db2.gz SHYWCYXNSRTYGJ-JKIFEVAISA-N 2 0 338.452 -0.528 20 0 EBADRP C[NH+]1CCN(c2cc(C(=O)NC[C@H]3C[NH2+]CCCO3)ccn2)CC1 ZINC000565040569 380396707 /nfs/dbraw/zinc/39/67/07/380396707.db2.gz NENRVCLHYPWYFS-OAHLLOKOSA-N 2 0 333.436 -0.058 20 0 EBADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000565962404 380441371 /nfs/dbraw/zinc/44/13/71/380441371.db2.gz QFIQLVKMLGVRAA-AWEZNQCLSA-N 2 0 331.420 -0.108 20 0 EBADRP C[C@H](CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)C[NH+]1CCN(C)CC1 ZINC000362564382 380411674 /nfs/dbraw/zinc/41/16/74/380411674.db2.gz KERNBHIAQCTRIQ-CABCVRRESA-N 2 0 349.483 -0.184 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H](CO)Cc2ccc(F)cc2)CC1 ZINC000566974264 380496388 /nfs/dbraw/zinc/49/63/88/380496388.db2.gz WZSCMDZSOLCRCZ-IRXDYDNUSA-N 2 0 325.428 -0.073 20 0 EBADRP CC[NH+]1CCC(CCNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000567337454 380511542 /nfs/dbraw/zinc/51/15/42/380511542.db2.gz VDBRPRNZFAPASD-HNNXBMFYSA-N 2 0 339.484 -0.674 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000340482305 380512134 /nfs/dbraw/zinc/51/21/34/380512134.db2.gz FMOVCEKXMQLQSB-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000340489676 380515769 /nfs/dbraw/zinc/51/57/69/380515769.db2.gz ZELLWTFVLFXTTK-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H]1[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)CCC[N@@H+]1C ZINC000340352367 380470171 /nfs/dbraw/zinc/47/01/71/380470171.db2.gz UUOCFBCLRPFPRR-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)NCCCC[NH+]1CCOCC1)C1CC1 ZINC000340359060 380474646 /nfs/dbraw/zinc/47/46/46/380474646.db2.gz GOJVEDFIYGLXTQ-UHFFFAOYSA-N 2 0 326.441 -0.575 20 0 EBADRP [NH3+]C[C@H](C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000638476502 380480011 /nfs/dbraw/zinc/48/00/11/380480011.db2.gz ISVCSIRTFDXNFM-INIZCTEOSA-N 2 0 345.447 -0.102 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000340553222 380539407 /nfs/dbraw/zinc/53/94/07/380539407.db2.gz WYAJXSMVKBGGJU-OAHLLOKOSA-N 2 0 342.484 -0.131 20 0 EBADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638624984 380542773 /nfs/dbraw/zinc/54/27/73/380542773.db2.gz KVXNXLFPJJISEZ-IRXDYDNUSA-N 2 0 343.431 -0.094 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000567881084 380553875 /nfs/dbraw/zinc/55/38/75/380553875.db2.gz SJSPVVZDQNPHAA-INIZCTEOSA-N 2 0 348.447 -0.235 20 0 EBADRP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000369400397 380557756 /nfs/dbraw/zinc/55/77/56/380557756.db2.gz HHFSACJJBBAWGK-HOTGVXAUSA-N 2 0 339.484 -0.214 20 0 EBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@@]3(c4ccccc4)CC[NH2+]C3)CCN2C1=O ZINC000568109013 380575262 /nfs/dbraw/zinc/57/52/62/380575262.db2.gz WKJCODWJQGRFOU-DAYGRLMNSA-N 2 0 328.416 -0.312 20 0 EBADRP COC[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC[NH2+]C1 ZINC000569233566 380635163 /nfs/dbraw/zinc/63/51/63/380635163.db2.gz JGTQKROZFNKHBV-XJKSGUPXSA-N 2 0 326.441 -0.684 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000569324101 380639225 /nfs/dbraw/zinc/63/92/25/380639225.db2.gz GPIHMBNMCHSOLW-OAHLLOKOSA-N 3 0 341.500 -0.556 20 0 EBADRP C[C@H](CNC(=O)C(=O)NCCN1CCOC[C@@H]1C)C[NH+]1CCCC1 ZINC000340768624 380625442 /nfs/dbraw/zinc/62/54/42/380625442.db2.gz FMVAADKTRXBMME-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000569095816 380629053 /nfs/dbraw/zinc/62/90/53/380629053.db2.gz ADEMXNIRBYEXHZ-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000371724610 380669908 /nfs/dbraw/zinc/66/99/08/380669908.db2.gz SEZGDNRRBSQAAU-SOUVJXGZSA-N 2 0 326.441 -0.131 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000341155769 380672092 /nfs/dbraw/zinc/67/20/92/380672092.db2.gz GGGSUQKJAGKPFT-HZPDHXFCSA-N 2 0 341.500 -0.110 20 0 EBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000341161636 380675098 /nfs/dbraw/zinc/67/50/98/380675098.db2.gz KQLWLBOLZFUXRF-CQSZACIVSA-N 2 0 348.451 -0.198 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000574040552 380698171 /nfs/dbraw/zinc/69/81/71/380698171.db2.gz OBODDBYQUPVSBG-STQMWFEESA-N 2 0 327.473 -0.629 20 0 EBADRP CC(C)[C@@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000121161896 380705300 /nfs/dbraw/zinc/70/53/00/380705300.db2.gz LHHUOCKXNQKOIJ-NVXWUHKLSA-N 2 0 343.516 -0.130 20 0 EBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000574324319 380708276 /nfs/dbraw/zinc/70/82/76/380708276.db2.gz XGUIWFCSEFJKHX-ZIAGYGMSSA-N 2 0 327.473 -0.676 20 0 EBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000576123237 380758388 /nfs/dbraw/zinc/75/83/88/380758388.db2.gz ALFQPRXODSMNEC-KBPBESRZSA-N 2 0 326.441 -0.591 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000576302242 380766635 /nfs/dbraw/zinc/76/66/35/380766635.db2.gz IDHDXFMCCVLPMK-UHFFFAOYSA-N 2 0 341.500 -0.461 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)[NH+](C)C1CC1 ZINC000341544309 380716771 /nfs/dbraw/zinc/71/67/71/380716771.db2.gz HJYGBUKTGYNSBU-HIFRSBDPSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000341623057 380720775 /nfs/dbraw/zinc/72/07/75/380720775.db2.gz XIQGAZFFSUAETO-LSDHHAIUSA-N 2 0 340.468 -0.342 20 0 EBADRP O=C(NCC(=O)N1CC[NH2+]CC1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000574742285 380721774 /nfs/dbraw/zinc/72/17/74/380721774.db2.gz KPPQLVPYCHWPGC-OAHLLOKOSA-N 2 0 331.420 -0.396 20 0 EBADRP O=C(NCC[C@H]1CCC[NH2+]1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000575236048 380734382 /nfs/dbraw/zinc/73/43/82/380734382.db2.gz DKRWDBQYQBDZTB-HUUCEWRRSA-N 2 0 337.468 -0.018 20 0 EBADRP CC(C)[C@@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000575920028 380751525 /nfs/dbraw/zinc/75/15/25/380751525.db2.gz HUWDBROXITYQLG-HUUCEWRRSA-N 2 0 339.484 -0.757 20 0 EBADRP O=C1NC[C@@H]2C[NH+](CCCC[N@@H+]3CCN4C(=O)NC[C@@H]4C3)CCN12 ZINC000175877976 380774678 /nfs/dbraw/zinc/77/46/78/380774678.db2.gz WPCWCRHNDQVXAQ-ZIAGYGMSSA-N 2 0 336.440 -0.815 20 0 EBADRP C[C@H]1C[NH+](CCCNC(=O)NCCN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000416937740 380796422 /nfs/dbraw/zinc/79/64/22/380796422.db2.gz DLESFKUPPHOVRC-GJZGRUSLSA-N 2 0 327.473 -0.310 20 0 EBADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)C1 ZINC000577373663 380819983 /nfs/dbraw/zinc/81/99/83/380819983.db2.gz WRQXOTNHYVWQFA-LSDHHAIUSA-N 2 0 337.468 -0.920 20 0 EBADRP CC[NH+](C)C[C@@H](O)CN1CCN(C[C@H](O)C[N@@H+](C)CC)CC(C)C1 ZINC000578024198 380876232 /nfs/dbraw/zinc/87/62/32/380876232.db2.gz QJDXBFGBXVEUOM-QZTJIDSGSA-N 2 0 344.544 -0.135 20 0 EBADRP C[C@@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)C[C@H](C)[N@H+]1CCO ZINC000418291348 380831212 /nfs/dbraw/zinc/83/12/12/380831212.db2.gz VRPVNHMMVAQFTN-GASCZTMLSA-N 2 0 327.473 -0.622 20 0 EBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000583692604 380842031 /nfs/dbraw/zinc/84/20/31/380842031.db2.gz PMTIIGIHRRGREC-AWEZNQCLSA-N 2 0 346.435 -0.312 20 0 EBADRP Cc1nn(CC(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c(=O)n1C ZINC000638985966 380853449 /nfs/dbraw/zinc/85/34/49/380853449.db2.gz PYGXCEGDNTXBRQ-UHFFFAOYSA-N 2 0 331.380 -0.666 20 0 EBADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)CC[NH2+]CC1 ZINC000578365895 380926067 /nfs/dbraw/zinc/92/60/67/380926067.db2.gz GFFKPXORMVZGOI-QWHCGFSZSA-N 2 0 347.481 -0.069 20 0 EBADRP C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H]1[NH3+] ZINC000417428943 380886720 /nfs/dbraw/zinc/88/67/20/380886720.db2.gz MDEHQPRFBQKODE-MGPQQGTHSA-N 2 0 325.457 -0.082 20 0 EBADRP COCC[N@H+](C)CCNC(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000417437268 380889475 /nfs/dbraw/zinc/88/94/75/380889475.db2.gz GSNJANYHBFZILM-CQSZACIVSA-N 2 0 341.456 -0.830 20 0 EBADRP C[NH+](C)[C@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C[C@@H]1O ZINC000579729091 381011325 /nfs/dbraw/zinc/01/13/25/381011325.db2.gz DSGGEONQMOUAQO-GJZGRUSLSA-N 2 0 333.436 -0.420 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000377769624 380991847 /nfs/dbraw/zinc/99/18/47/380991847.db2.gz MMJCRLVGTVYOML-JYJNAYRXSA-N 2 0 340.468 -0.052 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(C)C[C@H]2C[NH3+])C[C@H](C)O1 ZINC000581000877 381048374 /nfs/dbraw/zinc/04/83/74/381048374.db2.gz VVKLGYPTQVLKIB-QLFBSQMISA-N 2 0 327.473 -0.230 20 0 EBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCC([NH2+]CCOC)CC2)CC1 ZINC000581018067 381050546 /nfs/dbraw/zinc/05/05/46/381050546.db2.gz RJWQBLCJTIEJRQ-UHFFFAOYSA-N 2 0 340.468 -0.232 20 0 EBADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000582650906 381057346 /nfs/dbraw/zinc/05/73/46/381057346.db2.gz KNZUJVFPWASTHR-AWEZNQCLSA-N 2 0 325.457 -0.114 20 0 EBADRP C[NH2+]CCNC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000418326894 381039245 /nfs/dbraw/zinc/03/92/45/381039245.db2.gz LQWQTAJJVWURFD-HNNXBMFYSA-N 2 0 335.452 -0.206 20 0 EBADRP CC1CC[NH+](C[C@H](O)CNC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000581723907 381098091 /nfs/dbraw/zinc/09/80/91/381098091.db2.gz FARWNRVHMLKQGC-CQSZACIVSA-N 2 0 338.456 -0.160 20 0 EBADRP C[NH+]1CCN(c2ccc(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)nc2)CC1 ZINC000583142474 381103273 /nfs/dbraw/zinc/10/32/73/381103273.db2.gz YBKMMAFOMRLMGK-AWEZNQCLSA-N 2 0 346.435 -0.360 20 0 EBADRP COC[C@@](C)(CO)[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000639953425 381156157 /nfs/dbraw/zinc/15/61/57/381156157.db2.gz XEHQTFAERGPDMM-GDBMZVCRSA-N 2 0 331.457 -0.554 20 0 EBADRP CC[NH+](C)C[C@H](O)CN1C[C@@H]2C[C@H]1CN2C[C@@H](O)C[N@@H+](C)CC ZINC000640049902 381197844 /nfs/dbraw/zinc/19/78/44/381197844.db2.gz TUVPVEIJIIAGBJ-QAETUUGQSA-N 2 0 328.501 -0.630 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@]1(C)C[NH3+] ZINC000584714900 381202729 /nfs/dbraw/zinc/20/27/29/381202729.db2.gz NFGMWYZVOAJIIM-RHSMWYFYSA-N 3 0 341.500 -0.619 20 0 EBADRP CNC(=O)CN1CCC(NC(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000347037791 381169644 /nfs/dbraw/zinc/16/96/44/381169644.db2.gz GSOIJWIOJZHZMR-CQSZACIVSA-N 2 0 341.456 -0.783 20 0 EBADRP COC[C@]1(CNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)CCC[NH2+]1 ZINC000418640990 381253548 /nfs/dbraw/zinc/25/35/48/381253548.db2.gz RMCWAFQVGCUTAS-GDBMZVCRSA-N 2 0 328.457 -0.099 20 0 EBADRP CN1CC[NH2+]C[C@H]1CNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000418756468 381261064 /nfs/dbraw/zinc/26/10/64/381261064.db2.gz GZUVVKBIZILHBQ-LSDHHAIUSA-N 2 0 327.473 -0.358 20 0 EBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000418760231 381263969 /nfs/dbraw/zinc/26/39/69/381263969.db2.gz JWKIRLTXNJAJOV-CABCVRRESA-N 2 0 327.473 -0.718 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000418589370 381250014 /nfs/dbraw/zinc/25/00/14/381250014.db2.gz AMMBJBYYQQGGQU-KGLIPLIRSA-N 2 0 325.457 -0.068 20 0 EBADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000347968669 381303968 /nfs/dbraw/zinc/30/39/68/381303968.db2.gz OPDYIOLAPGFKRV-UONOGXRCSA-N 2 0 327.473 -0.805 20 0 EBADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418870305 381321569 /nfs/dbraw/zinc/32/15/69/381321569.db2.gz YKCGCJXYJIWADO-HOTGVXAUSA-N 2 0 346.431 -0.518 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CCCO1 ZINC000418883881 381330518 /nfs/dbraw/zinc/33/05/18/381330518.db2.gz VTOYAWRYFVWOIT-GJZGRUSLSA-N 2 0 340.468 -0.138 20 0 EBADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)([NH+](C)C)C1 ZINC000418925024 381340961 /nfs/dbraw/zinc/34/09/61/381340961.db2.gz PVYGSMQEIHIIBU-JKIFEVAISA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000418921555 381340980 /nfs/dbraw/zinc/34/09/80/381340980.db2.gz MCCZHYIYZIYVGI-AWEZNQCLSA-N 2 0 328.457 -0.473 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000418926494 381341169 /nfs/dbraw/zinc/34/11/69/381341169.db2.gz RKDZNDCMMYHTQY-RBSFLKMASA-N 2 0 340.468 -0.345 20 0 EBADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000347971998 381313516 /nfs/dbraw/zinc/31/35/16/381313516.db2.gz RTVUAVAIZJLMOR-CABCVRRESA-N 2 0 339.484 -0.804 20 0 EBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000418863251 381314679 /nfs/dbraw/zinc/31/46/79/381314679.db2.gz BLVWQHCEGRIUAQ-RBSFLKMASA-N 2 0 340.468 -0.201 20 0 EBADRP COc1cccc([C@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[NH+](C)C)c1 ZINC000418870243 381320723 /nfs/dbraw/zinc/32/07/23/381320723.db2.gz YAGKRNIPLYNBGC-HIFRSBDPSA-N 2 0 334.420 -0.108 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000418932820 381345165 /nfs/dbraw/zinc/34/51/65/381345165.db2.gz ALYXJLNGUDMFJI-INIZCTEOSA-N 2 0 348.447 -0.189 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)C1 ZINC000418912755 381346501 /nfs/dbraw/zinc/34/65/01/381346501.db2.gz DLLKKPDBLGQCBQ-RRFJBIMHSA-N 2 0 340.468 -0.332 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000418913409 381346793 /nfs/dbraw/zinc/34/67/93/381346793.db2.gz DVDHQXGJHCQPMR-ZIAGYGMSSA-N 2 0 326.441 -0.720 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[N@H+](C)Cc1ccccc1 ZINC000418953801 381348855 /nfs/dbraw/zinc/34/88/55/381348855.db2.gz VPHFCUYSYBTOND-ZBFHGGJFSA-N 2 0 348.447 -0.272 20 0 EBADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419026305 381356246 /nfs/dbraw/zinc/35/62/46/381356246.db2.gz NJDUEPZBPICSSW-LSDHHAIUSA-N 2 0 339.484 -0.756 20 0 EBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419019858 381356621 /nfs/dbraw/zinc/35/66/21/381356621.db2.gz FARZRPPMCBTZKN-MCIONIFRSA-N 2 0 326.441 -0.672 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000419041948 381365274 /nfs/dbraw/zinc/36/52/74/381365274.db2.gz HBBPOYXUSVQTPP-AWEZNQCLSA-N 2 0 339.484 -0.484 20 0 EBADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000419048314 381365326 /nfs/dbraw/zinc/36/53/26/381365326.db2.gz ZZJUDQFJHFNDMW-AWEZNQCLSA-N 2 0 340.468 -0.188 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000418943142 381343081 /nfs/dbraw/zinc/34/30/81/381343081.db2.gz MLZFSAIPRZDRPG-OAHLLOKOSA-N 2 0 334.420 -0.579 20 0 EBADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000419133640 381388572 /nfs/dbraw/zinc/38/85/72/381388572.db2.gz GEAWEZXSYPULPU-AWEZNQCLSA-N 2 0 334.420 -0.197 20 0 EBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419164165 381390893 /nfs/dbraw/zinc/39/08/93/381390893.db2.gz LNEXKMQZMIIPLB-GOEBONIOSA-N 2 0 348.447 -0.143 20 0 EBADRP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419164167 381391499 /nfs/dbraw/zinc/39/14/99/381391499.db2.gz LNEXKMQZMIIPLB-ZBFHGGJFSA-N 2 0 348.447 -0.143 20 0 EBADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C(=O)NCC[NH3+])cc2)C[C@H](C)O1 ZINC000419196008 381396693 /nfs/dbraw/zinc/39/66/93/381396693.db2.gz AEXXOXXLDJFKKM-OKILXGFUSA-N 2 0 348.447 -0.013 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000419145588 381397646 /nfs/dbraw/zinc/39/76/46/381397646.db2.gz GTCKAMRSOXVUEB-KBPBESRZSA-N 2 0 326.441 -0.591 20 0 EBADRP CCN(CC)C(=O)CN1CCCN(C(=O)CCOC2C[NH2+]C2)CC1 ZINC000348999420 381427962 /nfs/dbraw/zinc/42/79/62/381427962.db2.gz LNNZXGWBZOXHCC-UHFFFAOYSA-N 2 0 340.468 -0.232 20 0 EBADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CC[NH2+]CC1 ZINC000419426673 381436724 /nfs/dbraw/zinc/43/67/24/381436724.db2.gz QTNZYVZPKSMWIT-UHFFFAOYSA-N 2 0 330.432 -0.017 20 0 EBADRP C[C@H]1CCCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)[C@@H]1C[NH3+] ZINC000419485109 381446525 /nfs/dbraw/zinc/44/65/25/381446525.db2.gz UYMGQRXAYVKMHD-LSDHHAIUSA-N 2 0 340.468 -0.199 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000349211637 381447136 /nfs/dbraw/zinc/44/71/36/381447136.db2.gz HNMFXBSAXRYBKM-AWEZNQCLSA-N 2 0 328.457 -0.195 20 0 EBADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419532766 381448680 /nfs/dbraw/zinc/44/86/80/381448680.db2.gz NLUGZPCZUWFHQN-GDBMZVCRSA-N 2 0 348.447 -0.597 20 0 EBADRP C[C@H](C[NH3+])NC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419696886 381473010 /nfs/dbraw/zinc/47/30/10/381473010.db2.gz VTMGGVOHLPAAFB-GFCCVEGCSA-N 2 0 328.482 -0.072 20 0 EBADRP C[C@H]1C[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)C[N@@H+]1Cc1ccccc1 ZINC000419714741 381476757 /nfs/dbraw/zinc/47/67/57/381476757.db2.gz XZFJRTXKVMSDLN-HOCLYGCPSA-N 2 0 348.447 -0.455 20 0 EBADRP C[C@@H](CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[NH+]1CCCCC1 ZINC000419719821 381478684 /nfs/dbraw/zinc/47/86/84/381478684.db2.gz XUXMWTJKIQUQMQ-KBPBESRZSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@@H](CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[NH+]1CCCCC1 ZINC000419720311 381478801 /nfs/dbraw/zinc/47/88/01/381478801.db2.gz YNGDOFXHDWRWNR-GJZGRUSLSA-N 2 0 340.468 -0.138 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000419548126 381452602 /nfs/dbraw/zinc/45/26/02/381452602.db2.gz SJRUHXKLNVWVSO-RBSFLKMASA-N 2 0 340.468 -0.058 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CCSC1 ZINC000419593265 381461043 /nfs/dbraw/zinc/46/10/43/381461043.db2.gz XUBUJOAFIMAVNR-IUODEOHRSA-N 2 0 328.482 -0.202 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C[C@H](C)[NH2+]1 ZINC000419591132 381462420 /nfs/dbraw/zinc/46/24/20/381462420.db2.gz VECCOORBNXCRKP-ZOWXZIJZSA-N 2 0 328.482 -0.251 20 0 EBADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2CC[NH2+]CC2)cc1 ZINC000419648082 381464605 /nfs/dbraw/zinc/46/46/05/381464605.db2.gz AVEYSOCKPSTQNO-UHFFFAOYSA-N 2 0 348.447 -0.283 20 0 EBADRP CC(C)(CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)C[NH+]1CCCC1 ZINC000419664438 381465991 /nfs/dbraw/zinc/46/59/91/381465991.db2.gz MJUBDIBCHZHKOQ-CQSZACIVSA-N 2 0 340.468 -0.199 20 0 EBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419865209 381512800 /nfs/dbraw/zinc/51/28/00/381512800.db2.gz JMGJKISBHBQKAE-CABCVRRESA-N 2 0 337.468 -0.907 20 0 EBADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419783970 381494501 /nfs/dbraw/zinc/49/45/01/381494501.db2.gz WCMIKOCWUQRGLU-ZIAGYGMSSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000419811727 381497485 /nfs/dbraw/zinc/49/74/85/381497485.db2.gz MIKDDLHDZAYBIH-LSDHHAIUSA-N 2 0 334.420 -0.490 20 0 EBADRP C[N@H+](CCN1CCN(C(=O)C(=O)NCC[NH3+])CC1)Cc1ccccc1 ZINC000419820827 381498818 /nfs/dbraw/zinc/49/88/18/381498818.db2.gz SKJDFYQOMXIMSM-UHFFFAOYSA-N 2 0 347.463 -0.663 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCCC[NH3+])CC1 ZINC000419832862 381499450 /nfs/dbraw/zinc/49/94/50/381499450.db2.gz KIMGSRWKDJWNGO-CQSZACIVSA-N 2 0 325.457 -0.920 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])CC2)c1 ZINC000419986559 381525391 /nfs/dbraw/zinc/52/53/91/381525391.db2.gz CHANKHOULMXGHU-GFCCVEGCSA-N 2 0 335.408 -0.408 20 0 EBADRP CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420282563 381576258 /nfs/dbraw/zinc/57/62/58/381576258.db2.gz BPJQNKZSOSJJCF-CQSZACIVSA-N 2 0 346.497 -0.540 20 0 EBADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000420192457 381566054 /nfs/dbraw/zinc/56/60/54/381566054.db2.gz BIALDHGYLXUDQQ-HUUCEWRRSA-N 2 0 338.452 -0.432 20 0 EBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000643482848 381607853 /nfs/dbraw/zinc/60/78/53/381607853.db2.gz CQWHGBXHEQUFAO-ZIAGYGMSSA-N 2 0 328.457 -0.393 20 0 EBADRP O[C@H](CN1CCOCC1)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000076682612 381614225 /nfs/dbraw/zinc/61/42/25/381614225.db2.gz CUAFMOGOUQAZPH-KRWDZBQOSA-N 2 0 327.469 -0.276 20 0 EBADRP CN(C)CC[NH+]1CCC(CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351561538 381643711 /nfs/dbraw/zinc/64/37/11/381643711.db2.gz YXRSACXPQPWKTL-OAHLLOKOSA-N 2 0 339.484 -0.756 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000351563463 381645348 /nfs/dbraw/zinc/64/53/48/381645348.db2.gz KPUNMMQAYVJALH-MGPQQGTHSA-N 2 0 326.441 -0.530 20 0 EBADRP CCN(CC)C(=O)CN1CCCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000081395782 381768424 /nfs/dbraw/zinc/76/84/24/381768424.db2.gz AJUHXEZVZLALGP-HNNXBMFYSA-N 2 0 340.468 -0.280 20 0 EBADRP CN1CCO[C@@H](C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)C1 ZINC000081395798 381768498 /nfs/dbraw/zinc/76/84/98/381768498.db2.gz UWQDLOMJBAJOPZ-OAHLLOKOSA-N 2 0 338.452 -0.526 20 0 EBADRP Cn1c2ncn(CC[NH+]3CCC(C[NH+](C)C)CC3)c2c(=O)n(C)c1=O ZINC000332309827 381778078 /nfs/dbraw/zinc/77/80/78/381778078.db2.gz XBTYJAUQBLLNRU-UHFFFAOYSA-N 2 0 348.451 -0.293 20 0 EBADRP CN1CCN(C(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)CC1 ZINC000093192654 381880638 /nfs/dbraw/zinc/88/06/38/381880638.db2.gz CDXUCBQTWOVHGS-UHFFFAOYSA-N 2 0 339.484 -0.850 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000352087558 381870173 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CNBNYDPIBOYDBL-LSDHHAIUSA-N 2 0 337.468 -0.066 20 0 EBADRP COCC(C)(C)N1CCN(C(=O)C(=O)NCCn2ccnc2)CC1 ZINC000425858360 381945600 /nfs/dbraw/zinc/94/56/00/381945600.db2.gz CMXVADIHCMMWQZ-UHFFFAOYSA-N 2 0 337.424 -0.432 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000333729018 381952608 /nfs/dbraw/zinc/95/26/08/381952608.db2.gz VVFBYYFGQZAWAE-HNNXBMFYSA-N 2 0 335.452 -0.146 20 0 EBADRP C[C@H](O)CN1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)[C@H](C)C1 ZINC000430437137 382017082 /nfs/dbraw/zinc/01/70/82/382017082.db2.gz UMNYYWSJOVZTLF-QLFBSQMISA-N 2 0 340.468 -0.690 20 0 EBADRP COC[C@H](C)NC(=O)NC(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000352774034 382031175 /nfs/dbraw/zinc/03/11/75/382031175.db2.gz UTEDRGNVJBKFMI-AWEZNQCLSA-N 2 0 343.472 -0.584 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000104533494 382039123 /nfs/dbraw/zinc/03/91/23/382039123.db2.gz NGHVFELOTCADGK-UHFFFAOYSA-N 2 0 348.407 -0.823 20 0 EBADRP CC[NH+]1CCC(NC(=O)CN2CCC[C@](O)(C[NH+](C)C)C2)CC1 ZINC000639768560 382122641 /nfs/dbraw/zinc/12/26/41/382122641.db2.gz ZTKCTTLEQKDCRZ-KRWDZBQOSA-N 2 0 326.485 -0.025 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])[NH+]1CCC(C)CC1 ZINC000563946425 382093489 /nfs/dbraw/zinc/09/34/89/382093489.db2.gz BKDUUCRWMMCKOK-CABCVRRESA-N 2 0 339.484 -0.676 20 0 EBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)CC1 ZINC000563946667 382094461 /nfs/dbraw/zinc/09/44/61/382094461.db2.gz QCDFBZCAVGZUML-UHFFFAOYSA-N 2 0 337.468 -0.909 20 0 EBADRP C[NH+](C)[C@@H]1CCN(C(=O)COCC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000105600182 382095097 /nfs/dbraw/zinc/09/50/97/382095097.db2.gz MNGRPWCRSQSPQI-ZIAGYGMSSA-N 2 0 326.441 -0.672 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000341547166 285031094 /nfs/dbraw/zinc/03/10/94/285031094.db2.gz NAZZDYZMSLWVFH-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CS(=O)(=O)N(C)C ZINC000344893609 285243587 /nfs/dbraw/zinc/24/35/87/285243587.db2.gz SXOIGBOWHBEEAS-CQSZACIVSA-N 2 0 348.513 -0.248 20 0 EBADRP C[NH+]1CCCN(C(=O)CC(O)CC(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000329087765 155205653 /nfs/dbraw/zinc/20/56/53/155205653.db2.gz HNZWVEZOCNOMRW-UHFFFAOYSA-N 2 0 340.468 -0.544 20 0 EBADRP C[NH+](C)CC(=O)N1CCN(CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000330629299 155293983 /nfs/dbraw/zinc/29/39/83/155293983.db2.gz AODDJLUUORPBHX-UHFFFAOYSA-N 2 0 339.440 -0.383 20 0 EBADRP CN1CCN(S(=O)(=O)N2CC[NH+](CC3CC[NH2+]CC3)CC2)CC1 ZINC000178958880 154123178 /nfs/dbraw/zinc/12/31/78/154123178.db2.gz UJBPNNMMZGWLAA-UHFFFAOYSA-N 2 0 345.513 -0.904 20 0 EBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000187952715 154148912 /nfs/dbraw/zinc/14/89/12/154148912.db2.gz BKUHZPUFSQQVJZ-JKSUJKDBSA-N 2 0 348.447 -0.029 20 0 EBADRP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000195519142 154165852 /nfs/dbraw/zinc/16/58/52/154165852.db2.gz WIEFBAPSXKUQNN-UHFFFAOYSA-N 2 0 326.441 -0.765 20 0 EBADRP O=C(CCC(=O)N1CCN(c2ccccn2)CC1)N1CC[NH2+]CC1 ZINC000237930770 154176087 /nfs/dbraw/zinc/17/60/87/154176087.db2.gz BIELRTJVPIWMAR-UHFFFAOYSA-N 2 0 331.420 -0.058 20 0 EBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000261718850 154197923 /nfs/dbraw/zinc/19/79/23/154197923.db2.gz QLIRUIXNBPRNGT-ZDUSSCGKSA-N 2 0 329.404 -0.019 20 0 EBADRP CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261817698 154202205 /nfs/dbraw/zinc/20/22/05/154202205.db2.gz KACPHYDZCZPXNB-UONOGXRCSA-N 2 0 346.497 -0.494 20 0 EBADRP [NH3+][C@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C1CCOCC1 ZINC000261868414 154203541 /nfs/dbraw/zinc/20/35/41/154203541.db2.gz SSKRYTABPKTZBU-INIZCTEOSA-N 2 0 338.452 -0.493 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000261980717 154207272 /nfs/dbraw/zinc/20/72/72/154207272.db2.gz HVTLNDXOQSHMOJ-CJNGLKHVSA-N 2 0 342.484 -0.363 20 0 EBADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262016238 154209020 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157119972 /nfs/dbraw/zinc/11/99/72/157119972.db2.gz PLXWDAPXGFUOGL-UHFFFAOYSA-N 2 0 328.438 -0.569 20 0 EBADRP C[NH+](C)CCN1C[C@H](C(=O)NCCCN2CC[NH+](C)CC2)CC1=O ZINC000357787817 157175651 /nfs/dbraw/zinc/17/56/51/157175651.db2.gz BYGYMKPDUKYCNV-OAHLLOKOSA-N 2 0 339.484 -0.850 20 0 EBADRP C[NH+](C)CCN1C[C@@H](C(=O)NCCCN2CC[NH+](C)CC2)CC1=O ZINC000357787788 157176872 /nfs/dbraw/zinc/17/68/72/157176872.db2.gz BYGYMKPDUKYCNV-HNNXBMFYSA-N 2 0 339.484 -0.850 20 0 EBADRP C[N@@H+]1CC[C@](O)(CNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000358061636 157204491 /nfs/dbraw/zinc/20/44/91/157204491.db2.gz GYNVHGIDFTXSRE-KRWDZBQOSA-N 2 0 333.436 -0.370 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000358573871 157263196 /nfs/dbraw/zinc/26/31/96/157263196.db2.gz SJNLMFYNNXZLOX-CQSZACIVSA-N 2 0 326.441 -0.624 20 0 EBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+](CCOC)C1 ZINC000359259035 157308583 /nfs/dbraw/zinc/30/85/83/157308583.db2.gz FXQCHRADGHFAAJ-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCOCC[NH+](C)C)[C@H](C)C1 ZINC000360273646 157369840 /nfs/dbraw/zinc/36/98/40/157369840.db2.gz TZWMCCARYGOMER-CABCVRRESA-N 2 0 342.484 -0.131 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CCSC1 ZINC000419583473 419017520 /nfs/dbraw/zinc/01/75/20/419017520.db2.gz LDZDOEAHIJTUQI-ZOWXZIJZSA-N 2 0 328.482 -0.074 20 0 EBADRP C[N@@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000531006827 419044653 /nfs/dbraw/zinc/04/46/53/419044653.db2.gz UPTJHWNNYQXCGW-ZIAGYGMSSA-N 2 0 325.457 -0.033 20 0 EBADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653137691 418993486 /nfs/dbraw/zinc/99/34/86/418993486.db2.gz OBJIFCZMFYQLDC-GVXVVHGQSA-N 2 0 336.358 -0.825 20 0 EBADRP CN(CC1C[NH+](C)C1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000660864531 418997733 /nfs/dbraw/zinc/99/77/33/418997733.db2.gz OEXAGDHEIADUCL-MRXNPFEDSA-N 2 0 339.484 -0.404 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000662933569 419007244 /nfs/dbraw/zinc/00/72/44/419007244.db2.gz YTFQFYOUEJCPCW-AWEZNQCLSA-N 2 0 339.484 -0.580 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000647594196 419120738 /nfs/dbraw/zinc/12/07/38/419120738.db2.gz PIPXCAFZNAIKGK-MELADBBJSA-N 2 0 339.484 -0.487 20 0 EBADRP C[NH+](C)CCN1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1=O ZINC000650670828 419061742 /nfs/dbraw/zinc/06/17/42/419061742.db2.gz BFCUTYPIISOFPB-AWEZNQCLSA-N 2 0 337.468 -0.114 20 0 EBADRP C[C@@H](NC(=O)C(=O)N1CCC(CC[NH3+])CC1)[C@@H](C)N1CCOCC1 ZINC000652690757 419062723 /nfs/dbraw/zinc/06/27/23/419062723.db2.gz NHWDYKSACFVCMY-ZIAGYGMSSA-N 2 0 340.468 -0.201 20 0 EBADRP Cn1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c(=O)n(C)c1=O ZINC000650723497 419066137 /nfs/dbraw/zinc/06/61/37/419066137.db2.gz PGMZSLOFTIJRQV-KFWWJZLASA-N 2 0 336.436 -0.055 20 0 EBADRP CN(Cc1ccccc1)C[C@H](O)C[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000644627271 419170728 /nfs/dbraw/zinc/17/07/28/419170728.db2.gz WHTOPTYNIYUXPM-MRXNPFEDSA-N 2 0 341.477 -0.040 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652671854 419247652 /nfs/dbraw/zinc/24/76/52/419247652.db2.gz QLUGWRZQSWTEIA-RFQIPJPRSA-N 2 0 326.441 -0.593 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1C[NH3+] ZINC000652676320 419249671 /nfs/dbraw/zinc/24/96/71/419249671.db2.gz UYEKXDYYZNEGBG-IUODEOHRSA-N 2 0 338.452 -0.448 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C[C@H]1C[NH3+] ZINC000652681182 419250657 /nfs/dbraw/zinc/25/06/57/419250657.db2.gz DCVRJJDEGXFQQU-CTHBEMJXSA-N 2 0 338.452 -0.593 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)C[C@H]1C[NH3+] ZINC000652686661 419255839 /nfs/dbraw/zinc/25/58/39/419255839.db2.gz MEFWSNQELZPOES-OUCADQQQSA-N 2 0 326.441 -0.593 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)C[C@H]1C[NH3+] ZINC000652688014 419259184 /nfs/dbraw/zinc/25/91/84/419259184.db2.gz TXODJVRQVYYZFQ-NWANDNLSSA-N 2 0 338.452 -0.425 20 0 EBADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1=O ZINC000644893973 419261257 /nfs/dbraw/zinc/26/12/57/419261257.db2.gz BIQLCKBWRRUXQG-GDBMZVCRSA-N 2 0 342.484 -0.132 20 0 EBADRP O=C([C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)C1)N1CC[NH2+]CC1 ZINC000647692212 419210180 /nfs/dbraw/zinc/21/01/80/419210180.db2.gz DREALZKKSCIPAQ-OLZOCXBDSA-N 2 0 344.406 -0.098 20 0 EBADRP COC[C@@]1(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCC[NH2+]1 ZINC000647693094 419211343 /nfs/dbraw/zinc/21/13/43/419211343.db2.gz RLLHRPNHTNUXFK-RHSMWYFYSA-N 2 0 338.452 -0.575 20 0 EBADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)NCCN3CC[NH2+]CC3)C2)C1 ZINC000652201755 419230862 /nfs/dbraw/zinc/23/08/62/419230862.db2.gz OSAODVOAEKBCFR-OAGGEKHMSA-N 2 0 339.484 -0.181 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000645260561 419318230 /nfs/dbraw/zinc/31/82/30/419318230.db2.gz KDDSIVBMUHHRJS-CQSZACIVSA-N 2 0 343.472 -0.284 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000531857146 419273755 /nfs/dbraw/zinc/27/37/55/419273755.db2.gz YFSQIXAJXTUGFC-OLZOCXBDSA-N 2 0 329.445 -0.846 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000645241904 419301822 /nfs/dbraw/zinc/30/18/22/419301822.db2.gz JDMJKDDJPRFDNU-CQSZACIVSA-N 2 0 343.472 -0.284 20 0 EBADRP COC(=O)[C@H]1CN(C(=O)NCCOCC[NH+](C)C)CC[N@H+](C)C1 ZINC000413476100 419306300 /nfs/dbraw/zinc/30/63/00/419306300.db2.gz LSQYKONNTRKHBG-CYBMUJFWSA-N 2 0 330.429 -0.689 20 0 EBADRP CC(C)([NH3+])c1noc(CN2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000647824816 419309637 /nfs/dbraw/zinc/30/96/37/419309637.db2.gz BDZJURYRANEHBQ-GFCCVEGCSA-N 2 0 336.440 -0.093 20 0 EBADRP C[NH+](C)CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000531571312 419271120 /nfs/dbraw/zinc/27/11/20/419271120.db2.gz UNHQACJQSOLJRR-ZIAGYGMSSA-N 2 0 331.482 -0.095 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)CC1 ZINC000652728841 419323137 /nfs/dbraw/zinc/32/31/37/419323137.db2.gz CWUQQQPKXGQUHX-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000340267386 419340322 /nfs/dbraw/zinc/34/03/22/419340322.db2.gz HTJLVBSQBFKURO-GJZGRUSLSA-N 2 0 339.484 -0.661 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000340805276 419380478 /nfs/dbraw/zinc/38/04/78/419380478.db2.gz UTKABLYTPYDACL-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000346537428 419487709 /nfs/dbraw/zinc/48/77/09/419487709.db2.gz UICBIRSNWXEMQG-ZFWWWQNUSA-N 2 0 340.468 -0.378 20 0 EBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)CCn3cnccc3=O)C2)CC1 ZINC000645407740 419459982 /nfs/dbraw/zinc/45/99/82/419459982.db2.gz XSCDLQUHSAEJOB-CQSZACIVSA-N 2 0 333.436 -0.082 20 0 EBADRP CC(C)[C@@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)N1CCOCC1 ZINC000519697265 419534852 /nfs/dbraw/zinc/53/48/52/419534852.db2.gz GGTQLZPQHAPHSF-IAGOWNOFSA-N 2 0 328.501 -0.459 20 0 EBADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000519654249 419535090 /nfs/dbraw/zinc/53/50/90/419535090.db2.gz UPZGDEQGKPKJQE-KKUMJFAQSA-N 2 0 340.468 -0.282 20 0 EBADRP CC(C)[C@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)N1CCOCC1 ZINC000519697266 419538228 /nfs/dbraw/zinc/53/82/28/419538228.db2.gz GGTQLZPQHAPHSF-IRXDYDNUSA-N 2 0 328.501 -0.459 20 0 EBADRP C[C@@H](NC(=O)[C@H]([NH3+])C1CCOCC1)C(=O)NCC[NH+]1CCCCC1 ZINC000519824561 419547431 /nfs/dbraw/zinc/54/74/31/419547431.db2.gz KFTSKICDZZJYGX-UKRRQHHQSA-N 2 0 340.468 -0.153 20 0 EBADRP Cc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(=O)[nH]1 ZINC000526132173 419599094 /nfs/dbraw/zinc/59/90/94/419599094.db2.gz RYKSIHRFGDPFNB-UHFFFAOYSA-N 2 0 337.424 -0.014 20 0 EBADRP C[NH+](C)CCOc1cc(C(=O)N2CC(N3CC[C@@H](O)C3)C2)ccn1 ZINC000652890508 419616155 /nfs/dbraw/zinc/61/61/55/419616155.db2.gz BZJPKUXSQIDHQG-OAHLLOKOSA-N 2 0 334.420 -0.087 20 0 EBADRP C[C@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CCO)[C@H]1CN(C)CCO1 ZINC000655709593 419619301 /nfs/dbraw/zinc/61/93/01/419619301.db2.gz CUFURKOKEIWSLI-RRFJBIMHSA-N 2 0 328.457 -0.149 20 0 EBADRP COCCn1cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000532669709 419623720 /nfs/dbraw/zinc/62/37/20/419623720.db2.gz VKIAQAVMEMHMBO-UHFFFAOYSA-N 2 0 347.485 -0.357 20 0 EBADRP CC1(OCC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C[NH2+]C1 ZINC000648105587 419642125 /nfs/dbraw/zinc/64/21/25/419642125.db2.gz LLGIHRFRHHMMCE-ZIAGYGMSSA-N 2 0 338.452 -0.528 20 0 EBADRP CO[C@H](C[NH3+])C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000353444826 419648061 /nfs/dbraw/zinc/64/80/61/419648061.db2.gz IAHKXXBYWMZJIP-CQSZACIVSA-N 2 0 336.440 -0.531 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCCC[NH2+]C2CC2)CCO1 ZINC000659709616 419768270 /nfs/dbraw/zinc/76/82/70/419768270.db2.gz GESYWHYLRGHPMS-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH2+]CCNC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000419899747 419813746 /nfs/dbraw/zinc/81/37/46/419813746.db2.gz RMHASZXOJLQQDC-GJZGRUSLSA-N 2 0 339.484 -0.661 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419937536 419824085 /nfs/dbraw/zinc/82/40/85/419824085.db2.gz VTRNWERWPGHIFJ-HNNXBMFYSA-N 2 0 336.436 -0.161 20 0 EBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000419942707 419825945 /nfs/dbraw/zinc/82/59/45/419825945.db2.gz GLZIVMRPGCFQPK-CYBMUJFWSA-N 2 0 349.435 -0.290 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000420055230 419835308 /nfs/dbraw/zinc/83/53/08/419835308.db2.gz HWVIQBKHKNHSHS-FPMFFAJLSA-N 2 0 338.452 -0.089 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000420055231 419836079 /nfs/dbraw/zinc/83/60/79/419836079.db2.gz HWVIQBKHKNHSHS-IACUBPJLSA-N 2 0 338.452 -0.089 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000420023261 419839692 /nfs/dbraw/zinc/83/96/92/419839692.db2.gz XMDZTAACBCKJEK-CYBMUJFWSA-N 2 0 349.435 -0.162 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000422355455 419884381 /nfs/dbraw/zinc/88/43/81/419884381.db2.gz WAHCKZUDLAZCEZ-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)CC[NH2+]1 ZINC000423195601 419922282 /nfs/dbraw/zinc/92/22/82/419922282.db2.gz ZPQUKGZDHWTDBY-ZIAGYGMSSA-N 2 0 338.452 -0.482 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423265067 419930005 /nfs/dbraw/zinc/93/00/05/419930005.db2.gz QPYPMHWHSAWHDO-ZIAGYGMSSA-N 2 0 326.441 -0.767 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000423265686 419930389 /nfs/dbraw/zinc/93/03/89/419930389.db2.gz RECKXINUCRVAPF-CYBMUJFWSA-N 2 0 328.457 -0.391 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000423262672 419930885 /nfs/dbraw/zinc/93/08/85/419930885.db2.gz NCRYASCLOCNRJJ-HUUCEWRRSA-N 2 0 342.484 -0.001 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC[NH2+]1 ZINC000423219174 419925524 /nfs/dbraw/zinc/92/55/24/419925524.db2.gz WJJAZISFWVJACH-UONOGXRCSA-N 2 0 326.441 -0.624 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000423262418 419926319 /nfs/dbraw/zinc/92/63/19/419926319.db2.gz MLGCPDKGFHQYQK-ZIAGYGMSSA-N 2 0 328.457 -0.534 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423260653 419926741 /nfs/dbraw/zinc/92/67/41/419926741.db2.gz HWKPBGUTORGLDR-ZIAGYGMSSA-N 2 0 326.441 -0.909 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC[NH2+]1 ZINC000423219175 419927232 /nfs/dbraw/zinc/92/72/32/419927232.db2.gz WJJAZISFWVJACH-ZIAGYGMSSA-N 2 0 326.441 -0.624 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000423216627 419927331 /nfs/dbraw/zinc/92/73/31/419927331.db2.gz RZBRQJFFQDGPTO-ZNMIVQPWSA-N 2 0 340.468 -0.249 20 0 EBADRP [NH3+]CCOCC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000645932384 420527605 /nfs/dbraw/zinc/52/76/05/420527605.db2.gz IBFPXGCTASRLRC-UHFFFAOYSA-N 2 0 336.440 -0.530 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000167212139 420528051 /nfs/dbraw/zinc/52/80/51/420528051.db2.gz GOZQPSJOROOHGE-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)COCC[NH3+])c2)C1 ZINC000645952770 420529019 /nfs/dbraw/zinc/52/90/19/420529019.db2.gz SKJJMBFGDNNMAB-INIZCTEOSA-N 2 0 348.447 -0.025 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000646215938 420541283 /nfs/dbraw/zinc/54/12/83/420541283.db2.gz SWRWHPAETPRQSL-MJBXVCDLSA-N 2 0 325.457 -0.034 20 0 EBADRP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CC[C@H](CN3CCOC3=O)C2)C1=O ZINC000496987246 420656335 /nfs/dbraw/zinc/65/63/35/420656335.db2.gz RZVBFVDHQHQOCT-QWHCGFSZSA-N 2 0 338.408 -0.550 20 0 EBADRP C[NH+](C)CCOc1cc(CNC(=O)NC[C@@H]2COCC[NH2+]2)ccn1 ZINC000529324239 420760700 /nfs/dbraw/zinc/76/07/00/420760700.db2.gz VUOREUAYJJHUST-CQSZACIVSA-N 2 0 337.424 -0.190 20 0 EBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529345209 420762579 /nfs/dbraw/zinc/76/25/79/420762579.db2.gz WHGKTBNNFVEQHV-CHWSQXEVSA-N 2 0 326.445 -0.535 20 0 EBADRP O=C(NC[C@@H]1C[NH2+]CCO1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529341673 420763639 /nfs/dbraw/zinc/76/36/39/420763639.db2.gz KCJOLEPGTTUOMB-GJZGRUSLSA-N 2 0 326.441 -0.225 20 0 EBADRP CN1CC[NH2+]C[C@H]1CNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529340924 420764013 /nfs/dbraw/zinc/76/40/13/420764013.db2.gz IZDDFSKKEPYTEG-JKSUJKDBSA-N 2 0 339.484 -0.310 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000529374889 420764304 /nfs/dbraw/zinc/76/43/04/420764304.db2.gz OXVMKPUDHOMXDZ-OAHLLOKOSA-N 2 0 326.441 -0.271 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000524466044 420732601 /nfs/dbraw/zinc/73/26/01/420732601.db2.gz MHUHRWISKYZYCQ-OAHLLOKOSA-N 2 0 341.500 -0.016 20 0 EBADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1=O ZINC000649224312 420793384 /nfs/dbraw/zinc/79/33/84/420793384.db2.gz GMYKULINHBEHFD-RBSFLKMASA-N 2 0 340.468 -0.378 20 0 EBADRP CC[C@@H]1C[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[C@H]1[NH3+] ZINC000649416537 420808510 /nfs/dbraw/zinc/80/85/10/420808510.db2.gz CZMHMWGDTMAYEG-CHWSQXEVSA-N 2 0 348.451 -0.117 20 0 EBADRP CN1CCN(S(=O)(=O)N2CCN(C[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000649486340 420809911 /nfs/dbraw/zinc/80/99/11/420809911.db2.gz HXMWZHIVHIUDRR-OAHLLOKOSA-N 2 0 345.513 -0.810 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCSC1 ZINC000654473103 420830290 /nfs/dbraw/zinc/83/02/90/420830290.db2.gz AUAOQUWXNGOZRB-GZBFAFLISA-N 2 0 328.482 -0.116 20 0 EBADRP CC[NH+](CC)CCOCCNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654527999 420832146 /nfs/dbraw/zinc/83/21/46/420832146.db2.gz JXMAZMFFNGTYGL-LSDHHAIUSA-N 2 0 328.457 -0.195 20 0 EBADRP O=C(NCC[N@@H+]1CCCOCC1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000655971721 420860548 /nfs/dbraw/zinc/86/05/48/420860548.db2.gz DYVKLLGDKUJOSB-HZPDHXFCSA-N 2 0 340.468 -0.051 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656023512 420866715 /nfs/dbraw/zinc/86/67/15/420866715.db2.gz BYKVAIZQBXOSFE-XQLPTFJDSA-N 2 0 340.468 -0.141 20 0 EBADRP CC[NH2+]CCCNC(=O)C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656019730 420867463 /nfs/dbraw/zinc/86/74/63/420867463.db2.gz HXRQDNAXMFSEHC-MCIONIFRSA-N 2 0 328.457 -0.284 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CCCO1 ZINC000656027158 420868320 /nfs/dbraw/zinc/86/83/20/420868320.db2.gz BOMJNGNCUSMUFW-ILXRZTDVSA-N 2 0 338.452 -0.304 20 0 EBADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCN1C ZINC000656075659 420874551 /nfs/dbraw/zinc/87/45/51/420874551.db2.gz QRFZCZLUVHBWID-RRFJBIMHSA-N 2 0 338.452 -0.938 20 0 EBADRP CCN1C[C@@H](C)N(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@@H]1C ZINC000656076660 420874579 /nfs/dbraw/zinc/87/45/79/420874579.db2.gz FNOZXIJPFYXBFL-LJISPDSOSA-N 2 0 338.452 -0.795 20 0 EBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656296099 420885498 /nfs/dbraw/zinc/88/54/98/420885498.db2.gz QBQFMPVBNUWHPW-QLFBSQMISA-N 2 0 338.452 -0.746 20 0 EBADRP COCCN1CCN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000658447479 420956866 /nfs/dbraw/zinc/95/68/66/420956866.db2.gz QYONCMKFLWWZSC-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)n1 ZINC000659109015 420992057 /nfs/dbraw/zinc/99/20/57/420992057.db2.gz XGARDMWHBXXCBP-GHMZBOCLSA-N 2 0 326.376 -0.719 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659679709 421013150 /nfs/dbraw/zinc/01/31/50/421013150.db2.gz CFFOBRKLUKPUNM-UUCFBXCCSA-N 2 0 338.452 -0.672 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000659675869 421013532 /nfs/dbraw/zinc/01/35/32/421013532.db2.gz CHVCBAIAUWAHAJ-MRXNPFEDSA-N 2 0 348.447 -0.323 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000659677068 421013925 /nfs/dbraw/zinc/01/39/25/421013925.db2.gz MOXQOEUZSYKSFP-XJKSGUPXSA-N 2 0 348.447 -0.407 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000659688719 421014467 /nfs/dbraw/zinc/01/44/67/421014467.db2.gz HUQBNKWLVCKKJF-CYBMUJFWSA-N 2 0 348.451 -0.826 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])C1 ZINC000659706186 421016038 /nfs/dbraw/zinc/01/60/38/421016038.db2.gz FXJOGTPALHDERD-MCIONIFRSA-N 2 0 326.441 -0.591 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000659704989 421016522 /nfs/dbraw/zinc/01/65/22/421016522.db2.gz UVNUVQSHRSOBGQ-CYBMUJFWSA-N 2 0 326.441 -0.528 20 0 EBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000659698789 421017108 /nfs/dbraw/zinc/01/71/08/421017108.db2.gz MGDJVTBDNPQTDY-OAHLLOKOSA-N 2 0 341.500 -0.380 20 0 EBADRP C[C@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])C[NH+]1CCN(C)CC1 ZINC000659710725 421018061 /nfs/dbraw/zinc/01/80/61/421018061.db2.gz SZSGIVZUTBQCJZ-CYBMUJFWSA-N 2 0 327.473 -0.818 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]CC2)CCO1 ZINC000659720149 421020993 /nfs/dbraw/zinc/02/09/93/421020993.db2.gz ANOLYQHCGUPWNN-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659719560 421021469 /nfs/dbraw/zinc/02/14/69/421021469.db2.gz WNBHTNOVMTWIJI-GJZGRUSLSA-N 2 0 340.468 -0.155 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CCO1 ZINC000659723826 421022494 /nfs/dbraw/zinc/02/24/94/421022494.db2.gz KZINUNYHDFNXGH-QLFBSQMISA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC[NH2+]1 ZINC000659725098 421022937 /nfs/dbraw/zinc/02/29/37/421022937.db2.gz ZWKCIYRKYNMMKG-KFWWJZLASA-N 2 0 340.468 -0.188 20 0 EBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000659738613 421024519 /nfs/dbraw/zinc/02/45/19/421024519.db2.gz GVVIIYDAQGWRME-QLFBSQMISA-N 2 0 348.451 -0.726 20 0 EBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([NH2+]CCOC)CC2)C1 ZINC000659739463 421026450 /nfs/dbraw/zinc/02/64/50/421026450.db2.gz UUSXBKRKZIZACS-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CCO1 ZINC000659755951 421029958 /nfs/dbraw/zinc/02/99/58/421029958.db2.gz NYODUEGBOYUMMV-OAHLLOKOSA-N 2 0 338.452 -0.589 20 0 EBADRP C[NH+]1CCN(c2ncccc2CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662759204 421100018 /nfs/dbraw/zinc/10/00/18/421100018.db2.gz UHDXNLPPMNSFMP-LSDHHAIUSA-N 2 0 333.436 -0.187 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662929444 421109967 /nfs/dbraw/zinc/10/99/67/421109967.db2.gz APPJCEYOMCWKSS-HNNXBMFYSA-N 3 0 339.484 -0.580 20 0 EBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662947405 421114267 /nfs/dbraw/zinc/11/42/67/421114267.db2.gz OBMGBCQQLMUNGC-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CCO1 ZINC000662977343 421120452 /nfs/dbraw/zinc/12/04/52/421120452.db2.gz JCJALZNEOOOVEJ-XOYHFGRZSA-N 2 0 338.452 -0.495 20 0 EBADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)C2)C1 ZINC000662990749 421121962 /nfs/dbraw/zinc/12/19/62/421121962.db2.gz WKVFNUNCFJACFB-IOASZLSFSA-N 2 0 326.416 -0.172 20 0 EBADRP CN(C)C(=O)Cn1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)n1 ZINC000433143119 421177801 /nfs/dbraw/zinc/17/78/01/421177801.db2.gz GVSSWCWHDXWSFQ-UHFFFAOYSA-N 2 0 336.440 0.113 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000448484717 421191987 /nfs/dbraw/zinc/19/19/87/421191987.db2.gz FVIBDVMKGTXEJX-KGLIPLIRSA-N 2 0 348.451 0.126 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)n1 ZINC000454856257 421195343 /nfs/dbraw/zinc/19/53/43/421195343.db2.gz FJLOQVGZWHYLAQ-AWEZNQCLSA-N 2 0 338.456 0.413 20 0 EBADRP O=C(Nc1ccn(CCN2CCOCC2)n1)[C@H]1CCNCC1(F)F ZINC000342692734 421271261 /nfs/dbraw/zinc/27/12/61/421271261.db2.gz LGVOFMZSWCYSJQ-GFCCVEGCSA-N 2 0 343.378 0.399 20 0 EBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423380461 265000850 /nfs/dbraw/zinc/00/08/50/265000850.db2.gz DQZRSRUHFWBMOP-KGLIPLIRSA-N 2 0 326.441 -0.495 20 0 EBADRP COC[C@]1(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC[NH2+]C1 ZINC000423384991 265001431 /nfs/dbraw/zinc/00/14/31/265001431.db2.gz QSQABNHDQOQADE-KRWDZBQOSA-N 2 0 338.452 -0.621 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@]2(COC)CC[NH2+]C2)CC1 ZINC000423401801 265002673 /nfs/dbraw/zinc/00/26/73/265002673.db2.gz XLDFERWXXGPASQ-KRWDZBQOSA-N 2 0 340.468 -0.375 20 0 EBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423421863 265002712 /nfs/dbraw/zinc/00/27/12/265002712.db2.gz CCEALTZQKMHBSL-OAHLLOKOSA-N 2 0 339.484 -0.707 20 0 EBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423428556 265004537 /nfs/dbraw/zinc/00/45/37/265004537.db2.gz KIHWPAATPSRKBL-CQSZACIVSA-N 2 0 326.441 -0.493 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000423447044 265004616 /nfs/dbraw/zinc/00/46/16/265004616.db2.gz OQPCNYWWVYSQIC-UONOGXRCSA-N 2 0 326.441 -0.495 20 0 EBADRP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000423435430 265004679 /nfs/dbraw/zinc/00/46/79/265004679.db2.gz YUMJZNNOFLNNDI-OCCSQVGLSA-N 2 0 336.440 -0.113 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000423447042 265004682 /nfs/dbraw/zinc/00/46/82/265004682.db2.gz OQPCNYWWVYSQIC-KGLIPLIRSA-N 2 0 326.441 -0.495 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2C[NH2+]CCO2)CC1=O ZINC000423984071 265044617 /nfs/dbraw/zinc/04/46/17/265044617.db2.gz BIAMUQSFKUFIQZ-KFWWJZLASA-N 2 0 338.452 -0.576 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[C@H]1c1ccccc1F ZINC000424034081 265046340 /nfs/dbraw/zinc/04/63/40/265046340.db2.gz ZKSOATTULLZGTC-NWANDNLSSA-N 2 0 334.395 -0.053 20 0 EBADRP C[NH+](C)C1CCN(CCNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424143464 265049992 /nfs/dbraw/zinc/04/99/92/265049992.db2.gz JUXNJLULMPTIBG-HNNXBMFYSA-N 2 0 349.483 -0.042 20 0 EBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000424155198 265050538 /nfs/dbraw/zinc/05/05/38/265050538.db2.gz MLFJLYVGKQGBGD-OCCSQVGLSA-N 2 0 348.451 -0.054 20 0 EBADRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000430963233 265159121 /nfs/dbraw/zinc/15/91/21/265159121.db2.gz SXMJWIXSPRHMPG-OLZOCXBDSA-N 2 0 348.451 -0.117 20 0 EBADRP CC[NH+]1CCN(CCNC(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433161710 265185602 /nfs/dbraw/zinc/18/56/02/265185602.db2.gz RZKQETCYFFQDBO-UHFFFAOYSA-N 3 0 325.501 -0.057 20 0 EBADRP CC(C)(C(N)=O)N1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433154014 265186193 /nfs/dbraw/zinc/18/61/93/265186193.db2.gz YDLKIIAAQGUGKT-UHFFFAOYSA-N 2 0 339.484 -0.402 20 0 EBADRP CC(C)[C@@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)N1CCOCC1 ZINC000519697243 265641960 /nfs/dbraw/zinc/64/19/60/265641960.db2.gz GGTQLZPQHAPHSF-DLBZAZTESA-N 2 0 328.501 -0.459 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000419893455 272816559 /nfs/dbraw/zinc/81/65/59/272816559.db2.gz VMXWAWDFEDTYBL-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000516925474 272888695 /nfs/dbraw/zinc/88/86/95/272888695.db2.gz PSZNZMDGAPOCQO-HOTGVXAUSA-N 2 0 332.452 -0.073 20 0 EBADRP O=C(C[NH2+]C[C@H]1CCCO1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000516866269 272888700 /nfs/dbraw/zinc/88/87/00/272888700.db2.gz JRTYYQNWIBROFH-LSDHHAIUSA-N 2 0 338.452 -0.575 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1=O ZINC000195243489 276378301 /nfs/dbraw/zinc/37/83/01/276378301.db2.gz PDWPMKRICAYGMR-WCVJEAGWSA-N 2 0 334.464 -0.003 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)C1 ZINC000347019900 277226314 /nfs/dbraw/zinc/22/63/14/277226314.db2.gz UJYKTRIEPAHTJS-ZIAGYGMSSA-N 2 0 341.456 -0.654 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC[NH2+]1 ZINC000331840632 300097837 /nfs/dbraw/zinc/09/78/37/300097837.db2.gz UFEMVKXMPLADQL-LSDHHAIUSA-N 2 0 338.452 -0.623 20 0 EBADRP C[C@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[N@@H+]1CC(C)(C)O ZINC000333786772 300145761 /nfs/dbraw/zinc/14/57/61/300145761.db2.gz FMSPFZQGLYOBFA-KBPBESRZSA-N 2 0 328.457 -0.149 20 0 EBADRP O=C(C[C@]1(C(=O)NC[C@H]2CCC[NH2+]2)CC[NH2+]C1)NC[C@H]1CCC[NH2+]1 ZINC000370925584 303653601 /nfs/dbraw/zinc/65/36/01/303653601.db2.gz WNEDJVYYUBVZMP-CKEIUWERSA-N 3 0 337.468 -0.907 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672003474 545721019 /nfs/dbraw/zinc/72/10/19/545721019.db2.gz JKMPZZTWMABWQP-ZDUSSCGKSA-N 2 0 328.457 -0.473 20 0 EBADRP CCN(C(=O)C(=O)NCC[NH+](C)CCCOC)[C@@H]1CC[N@H+](C)C1 ZINC000669104609 545811692 /nfs/dbraw/zinc/81/16/92/545811692.db2.gz LWAQCDXRZMWRNJ-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)CCSC1 ZINC000671071649 545905782 /nfs/dbraw/zinc/90/57/82/545905782.db2.gz DUJVUXAQCQBGRX-DOMZBBRYSA-N 2 0 328.482 -0.250 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000672166109 545962961 /nfs/dbraw/zinc/96/29/61/545962961.db2.gz SMLZZBFZWFKUME-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC000667812182 546063611 /nfs/dbraw/zinc/06/36/11/546063611.db2.gz GHBOSOOERGELNY-ZIAGYGMSSA-N 2 0 325.457 -0.116 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000672004478 546078496 /nfs/dbraw/zinc/07/84/96/546078496.db2.gz WCJVTOGQDNFYCI-CQSZACIVSA-N 2 0 328.457 -0.330 20 0 EBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+](CCO)CC3)[C@H]2C1 ZINC000672414113 546099493 /nfs/dbraw/zinc/09/94/93/546099493.db2.gz FGWJVPVECOHQHU-HIFRSBDPSA-N 2 0 338.452 -0.888 20 0 EBADRP CCN1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC000677217913 546226695 /nfs/dbraw/zinc/22/66/95/546226695.db2.gz PBZVMMPFTDIAQX-CYBMUJFWSA-N 2 0 336.440 -0.064 20 0 EBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3C[NH+]4CCN3CCC4)CC2)C1 ZINC000677891823 546239626 /nfs/dbraw/zinc/23/96/26/546239626.db2.gz SJHHQMWSSLTRGO-IAGOWNOFSA-N 2 0 335.496 -0.385 20 0 EBADRP NC(=O)[C@@H]1CCCN1C1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000678080098 546246922 /nfs/dbraw/zinc/24/69/22/546246922.db2.gz NVSAYKUBVWSPFC-CVEARBPZSA-N 2 0 340.468 -0.906 20 0 EBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@]3(O)CC[NH+](C)C3)C2)CC1 ZINC000680835142 546293458 /nfs/dbraw/zinc/29/34/58/546293458.db2.gz XBZGXYBETUJZPT-YOEHRIQHSA-N 2 0 339.484 -0.479 20 0 EBADRP CC[NH+]1CCC(NC(=O)CN2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000682035918 546321315 /nfs/dbraw/zinc/32/13/15/546321315.db2.gz WGXJVDHZSSTIKY-UHFFFAOYSA-N 2 0 326.485 -0.025 20 0 EBADRP C[NH+](C)CCOCCNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000682613540 546336979 /nfs/dbraw/zinc/33/69/79/546336979.db2.gz JVUZRFMZJNLLCB-HUUCEWRRSA-N 2 0 328.457 -0.195 20 0 EBADRP O=C(NC1CC[NH2+]CC1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000891962124 582564027 /nfs/dbraw/zinc/56/40/27/582564027.db2.gz OMNROIMOEUMRAJ-MRXNPFEDSA-N 2 0 339.484 -0.166 20 0 EBADRP COCCC1(NC(=O)NCCCN2CC[NH2+]CC2)CC[NH2+]CC1 ZINC000891968427 582564290 /nfs/dbraw/zinc/56/42/90/582564290.db2.gz KNFCVMBGYVYWBJ-UHFFFAOYSA-N 2 0 327.473 -0.260 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@@H]1C(F)(F)F ZINC000891971648 582564635 /nfs/dbraw/zinc/56/46/35/582564635.db2.gz WYGIBVFTMAOUFY-ZJUUUORDSA-N 2 0 337.346 -0.803 20 0 EBADRP O=C(NCC1CC[NH2+]CC1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891975717 582564990 /nfs/dbraw/zinc/56/49/90/582564990.db2.gz BSVVPEVUVKXUFH-MJBXVCDLSA-N 2 0 337.424 -0.438 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892079325 582566914 /nfs/dbraw/zinc/56/69/14/582566914.db2.gz VRCXTLCNDUFRTH-RGDJUOJXSA-N 2 0 337.424 -0.439 20 0 EBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000892088165 582567173 /nfs/dbraw/zinc/56/71/73/582567173.db2.gz JYWGZAKMJHVXNA-RGDJUOJXSA-N 2 0 337.424 -0.167 20 0 EBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892095323 582567251 /nfs/dbraw/zinc/56/72/51/582567251.db2.gz WQUCUUKQJMGMQR-ITGHMWBKSA-N 2 0 337.424 -0.439 20 0 EBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000892088160 582567306 /nfs/dbraw/zinc/56/73/06/582567306.db2.gz JYWGZAKMJHVXNA-HTOAHKCRSA-N 2 0 337.424 -0.167 20 0 EBADRP COCCN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000892180674 582569045 /nfs/dbraw/zinc/56/90/45/582569045.db2.gz OOCAUGMPRZEXQC-HNNXBMFYSA-N 2 0 328.457 -0.025 20 0 EBADRP C[NH+](C)C[C@@](C)(O)CNc1ccnc(NC[C@](C)(O)C[NH+](C)C)n1 ZINC000892955982 582590967 /nfs/dbraw/zinc/59/09/67/582590967.db2.gz QGYYOJTXXPHAAD-HOTGVXAUSA-N 2 0 340.472 -0.074 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)N1CCN(C)CC[NH+](C)CC1 ZINC000893223020 582594364 /nfs/dbraw/zinc/59/43/64/582594364.db2.gz AQUBTEPLESQAAG-UHFFFAOYSA-N 2 0 329.489 -0.157 20 0 EBADRP C[C@H](CNC(=O)NCC[NH+]1CCC(O)CC1)C[NH+]1CCN(C)CC1 ZINC000893236649 582594658 /nfs/dbraw/zinc/59/46/58/582594658.db2.gz JALYCKDLJYHDQI-OAHLLOKOSA-N 2 0 341.500 -0.374 20 0 EBADRP C[NH+](C)CCOCCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000894367244 582629430 /nfs/dbraw/zinc/62/94/30/582629430.db2.gz RLTQLQTZHXYKRC-GJZGRUSLSA-N 2 0 328.457 -0.195 20 0 EBADRP CCO[C@H](CNC(=O)N1CCN(C)CC[N@H+](C)CC1)C[NH+](C)C ZINC000896682579 582667934 /nfs/dbraw/zinc/66/79/34/582667934.db2.gz MRRBCOXFSJCVII-OAHLLOKOSA-N 2 0 329.489 -0.158 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1CCNC(=O)C1 ZINC000900481103 582770357 /nfs/dbraw/zinc/77/03/57/582770357.db2.gz MQIBQCKMKXSLID-HNNXBMFYSA-N 2 0 339.484 -0.707 20 0 EBADRP C[N@@H+]1CCC[C@](O)(CC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000900603195 582773966 /nfs/dbraw/zinc/77/39/66/582773966.db2.gz WBGQOEJYGCOPBT-VYDXJSESSA-N 2 0 325.453 -0.109 20 0 EBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCC(=O)N1CCOCC1)C2 ZINC000903492033 582809258 /nfs/dbraw/zinc/80/92/58/582809258.db2.gz ILSOFQKILBDLLN-ZENOOKHLSA-N 2 0 325.409 -0.552 20 0 EBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)N1CCO[C@H](C)C1)C2 ZINC000903492744 582809668 /nfs/dbraw/zinc/80/96/68/582809668.db2.gz RWBPQXNRDJJEJJ-IATRGZMQSA-N 2 0 325.409 -0.554 20 0 EBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903735676 582816014 /nfs/dbraw/zinc/81/60/14/582816014.db2.gz OKGIVTAGBZBXJK-GMTAPVOTSA-N 2 0 336.358 -0.113 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)CC[C@H]21 ZINC000903775885 582819889 /nfs/dbraw/zinc/81/98/89/582819889.db2.gz HOXMPGUGOSAUCD-DDHJBXDOSA-N 2 0 348.369 -0.113 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000903875578 582822668 /nfs/dbraw/zinc/82/26/68/582822668.db2.gz FOGKXGSHSMDKEL-JKSUJKDBSA-N 2 0 342.484 -0.620 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000732245943 582846369 /nfs/dbraw/zinc/84/63/69/582846369.db2.gz KKNZTKWRPHRZLQ-KFWWJZLASA-N 2 0 325.457 -0.605 20 0 EBADRP COCC[N@H+](C)CCC[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736987855 582979628 /nfs/dbraw/zinc/97/96/28/582979628.db2.gz GTCYFDKEYWBSFE-LBPRGKRZSA-N 2 0 349.443 -0.337 20 0 EBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000763074031 583256892 /nfs/dbraw/zinc/25/68/92/583256892.db2.gz SUSZAYNRXVYICU-NVXWUHKLSA-N 2 0 340.468 -0.004 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCC=CO1 ZINC000805511733 583385860 /nfs/dbraw/zinc/38/58/60/583385860.db2.gz IVTWVVNZBQCYEU-CQSZACIVSA-N 2 0 326.441 -0.253 20 0 EBADRP C[C@H](Cn1ccnc1)NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000789751703 583538767 /nfs/dbraw/zinc/53/87/67/583538767.db2.gz DRMVECVAYAOSGS-MGPQQGTHSA-N 2 0 335.408 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COC[C@@H](CNC(=O)C[NH+]1CCCC1)NC(=O)C[NH+]1CCCC1 ZINC000822292505 583809202 /nfs/dbraw/zinc/80/92/02/583809202.db2.gz VICPZZGKHFOAMN-CQSZACIVSA-N 2 0 326.441 -0.575 20 0 EBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000827706295 583926450 /nfs/dbraw/zinc/92/64/50/583926450.db2.gz KYBABFPQGUBZNN-KKUMJFAQSA-N 2 0 338.452 -0.434 20 0 EBADRP Cc1cc([C@H]([NH3+])CC(=O)NCC(=O)N2CC[NH2+]CC2)cc(Cl)n1 ZINC000832409975 583998060 /nfs/dbraw/zinc/99/80/60/583998060.db2.gz OZIQYUXBYJHEFS-GFCCVEGCSA-N 2 0 339.827 -0.019 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CCO1 ZINC000842130384 584057161 /nfs/dbraw/zinc/05/71/61/584057161.db2.gz OGQXHTQHOLABKR-CRWXNKLISA-N 2 0 326.441 -0.450 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000842165537 584058927 /nfs/dbraw/zinc/05/89/27/584058927.db2.gz ZBOANASRNDLQFF-AJNGGQMLSA-N 2 0 338.452 -0.306 20 0 EBADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000842165567 584058969 /nfs/dbraw/zinc/05/89/69/584058969.db2.gz ZKDAXTTWUPGPCK-RDBSUJKOSA-N 2 0 326.441 -0.401 20 0 EBADRP [NH3+]CCCCCCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000843259191 584074237 /nfs/dbraw/zinc/07/42/37/584074237.db2.gz LNVGOMVISUWMAW-KGLIPLIRSA-N 2 0 326.441 -0.399 20 0 EBADRP Cn1c2ncn(CC[N@H+](C)C3CCC([NH3+])CC3)c2c(=O)n(C)c1=O ZINC000843354667 584076377 /nfs/dbraw/zinc/07/63/77/584076377.db2.gz BIUZWJGGOYFURQ-UHFFFAOYSA-N 2 0 334.424 -0.365 20 0 EBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCO1 ZINC000843348016 584076409 /nfs/dbraw/zinc/07/64/09/584076409.db2.gz ZTCIANCTHYFTCN-HUUCEWRRSA-N 2 0 338.452 -0.623 20 0 EBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843472063 584079535 /nfs/dbraw/zinc/07/95/35/584079535.db2.gz SKPJJCIJSWXMJF-UONOGXRCSA-N 2 0 326.441 -0.399 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852865311 584217984 /nfs/dbraw/zinc/21/79/84/584217984.db2.gz YWTKAWVPPFTRBR-AAEUAGOBSA-N 2 0 325.413 -0.851 20 0 EBADRP CC(C)([NH3+])CNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861639563 584332145 /nfs/dbraw/zinc/33/21/45/584332145.db2.gz FFJQDAACAQEAGP-NEPJUHHUSA-N 2 0 325.413 -0.310 20 0 EBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000861730449 584335571 /nfs/dbraw/zinc/33/55/71/584335571.db2.gz WINJWKPPMVLDPT-ZBFHGGJFSA-N 2 0 348.447 -0.191 20 0 EBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000861742211 584336733 /nfs/dbraw/zinc/33/67/33/584336733.db2.gz CTPDRDWSNWCGCM-CYBMUJFWSA-N 2 0 348.451 -0.745 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000863770035 584378078 /nfs/dbraw/zinc/37/80/78/584378078.db2.gz GYKAOWPUDSVJRR-ZDUSSCGKSA-N 2 0 326.441 -0.495 20 0 EBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000866748457 584405320 /nfs/dbraw/zinc/40/53/20/584405320.db2.gz RDWLMRFTEMGSEU-KBPBESRZSA-N 2 0 332.470 -0.632 20 0 EBADRP CN(CC(C)(C)O)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867477575 584409017 /nfs/dbraw/zinc/40/90/17/584409017.db2.gz XNOSEZNADDEEHT-ZIAGYGMSSA-N 2 0 342.484 -0.587 20 0 EBADRP Cn1cc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cn1 ZINC000867588946 584411868 /nfs/dbraw/zinc/41/18/68/584411868.db2.gz KHRDRVMSHNFPQU-CHWSQXEVSA-N 2 0 329.470 -0.220 20 0 EBADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1=O ZINC000868387283 584427111 /nfs/dbraw/zinc/42/71/11/584427111.db2.gz ADXNNAGESTWLAL-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)C[C@H]1C[NH+](C)C ZINC000868388975 584427424 /nfs/dbraw/zinc/42/74/24/584427424.db2.gz WMWPYGYPERAGQT-KFWWJZLASA-N 3 0 339.484 -0.866 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000868397297 584428233 /nfs/dbraw/zinc/42/82/33/584428233.db2.gz RJTCBTGJMVFRQN-UHFFFAOYSA-N 2 0 340.468 -0.246 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)CC[C@H]21 ZINC000868410927 584429016 /nfs/dbraw/zinc/42/90/16/584429016.db2.gz QNJQHFVXZHAKHZ-OWCLPIDISA-N 2 0 349.479 -0.955 20 0 EBADRP C[NH+]1C[C@H]2CCN(C(=O)[C@H](F)C(=O)N3CC[C@H]4C[N@@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000868520169 584431262 /nfs/dbraw/zinc/43/12/62/584431262.db2.gz KEQMOQRBXCQRRB-OYQDBORRSA-N 2 0 338.427 -0.351 20 0 EBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870997491 584450782 /nfs/dbraw/zinc/45/07/82/584450782.db2.gz UMNDLHCHVNOWBJ-XQHKEYJVSA-N 2 0 326.397 -0.868 20 0 EBADRP COC(=O)[C@@H]1CC(=O)N(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000872636457 584464325 /nfs/dbraw/zinc/46/43/25/584464325.db2.gz PATPTJUIHSBNDT-RBSFLKMASA-N 2 0 340.468 -0.363 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C[C@H]2CCCN(C(=O)C[NH3+])C2)C[C@H]1C[NH+](C)C ZINC000873217249 584473527 /nfs/dbraw/zinc/47/35/27/584473527.db2.gz LAKZSQXHCIOTRA-BRWVUGGUSA-N 3 0 339.528 -0.145 20 0 EBADRP CN1CCC[C@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1=O ZINC000875343079 584497496 /nfs/dbraw/zinc/49/74/96/584497496.db2.gz SYTLKQBHZYUYIO-KFWWJZLASA-N 2 0 339.484 -0.012 20 0 EBADRP CN1CCOC[C@@H]1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875864680 584507668 /nfs/dbraw/zinc/50/76/68/584507668.db2.gz VHZVGMRFFKFRPP-OAGGEKHMSA-N 2 0 341.500 -0.302 20 0 EBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1(F)F ZINC000876512577 584517629 /nfs/dbraw/zinc/51/76/29/584517629.db2.gz SMPRPYSRYHNJIC-QJPTWQEYSA-N 2 0 330.379 -0.503 20 0 EBADRP COC[C@]1(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C[NH2+]CCO1 ZINC000876713578 584520940 /nfs/dbraw/zinc/52/09/40/584520940.db2.gz RCGISGBDBAICDR-HOCLYGCPSA-N 2 0 329.441 -0.536 20 0 EBADRP COC[C@]1(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C[NH2+]CCO1 ZINC000876866921 584525177 /nfs/dbraw/zinc/52/51/77/584525177.db2.gz NNTKUTXMGSWYMP-YCPHGPKFSA-N 2 0 327.425 -0.654 20 0 EBADRP C[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)N1CCNCC1=O ZINC000877144914 584529551 /nfs/dbraw/zinc/52/95/51/584529551.db2.gz ZIKJZFSQCASMHI-RBSFLKMASA-N 2 0 339.484 -0.996 20 0 EBADRP COC[C@@]1(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C[NH2+]CCO1 ZINC000877326815 584531604 /nfs/dbraw/zinc/53/16/04/584531604.db2.gz GXCNPBWRPWYPRH-CZUORRHYSA-N 2 0 327.425 -0.734 20 0 EBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877330851 584531655 /nfs/dbraw/zinc/53/16/55/584531655.db2.gz HZQUPRXSKGQSNH-KBPBESRZSA-N 2 0 338.452 -0.480 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)CC[NH2+]1 ZINC000883639056 584603948 /nfs/dbraw/zinc/60/39/48/584603948.db2.gz FAMWJGBLHVVEAU-ZIAGYGMSSA-N 2 0 331.420 -0.061 20 0 EBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884234851 584619946 /nfs/dbraw/zinc/61/99/46/584619946.db2.gz GHOHXFQZSVTGED-OAHLLOKOSA-N 2 0 346.479 -0.143 20 0 EBADRP CCN(C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)[C@H]1CC[NH2+]C1 ZINC000884517269 584625673 /nfs/dbraw/zinc/62/56/73/584625673.db2.gz JFRRALQZXOBUJO-HNNXBMFYSA-N 2 0 339.484 -0.661 20 0 EBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884555505 584626957 /nfs/dbraw/zinc/62/69/57/584626957.db2.gz SMZGEFVUFLMWMR-NQBHXWOUSA-N 2 0 344.406 -0.054 20 0 EBADRP CN(CCCCCC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000884560522 584627666 /nfs/dbraw/zinc/62/76/66/584627666.db2.gz ZMCLOJZXMFQZIW-HUUCEWRRSA-N 2 0 340.468 -0.057 20 0 EBADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000884598358 584629224 /nfs/dbraw/zinc/62/92/24/584629224.db2.gz ZAIDOHHWFZHYFG-CQSZACIVSA-N 2 0 326.441 -0.445 20 0 EBADRP CCN(C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC)[C@H]1CC[NH2+]C1 ZINC000884603224 584629392 /nfs/dbraw/zinc/62/93/92/584629392.db2.gz FHZIXDALEFNNNU-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C[C@H]1C[NH3+] ZINC000884612284 584629743 /nfs/dbraw/zinc/62/97/43/584629743.db2.gz IVEYXGWBJXZLNF-JMSVASOKSA-N 2 0 328.482 -0.407 20 0 EBADRP CCN(C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@@H]1CC[NH2+]C1 ZINC000884612325 584629891 /nfs/dbraw/zinc/62/98/91/584629891.db2.gz JKSBCTGJQPTGRC-DOMZBBRYSA-N 2 0 328.482 -0.250 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000884643159 584631416 /nfs/dbraw/zinc/63/14/16/584631416.db2.gz YQWVDASZFSKHEH-IHRRRGAJSA-N 2 0 326.441 -0.543 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)NC2CC[NH2+]CC2)CCN1c1cc[nH+]cc1 ZINC000884674608 584632975 /nfs/dbraw/zinc/63/29/75/584632975.db2.gz AIBCILQPMOBRKR-ZDUSSCGKSA-N 2 0 331.420 -0.013 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C[C@H]1C[NH+](C)C ZINC000884688782 584634340 /nfs/dbraw/zinc/63/43/40/584634340.db2.gz PBMALJMIJKXLAY-KFWWJZLASA-N 3 0 339.484 -0.948 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C[C@H]1C[NH+](C)C ZINC000884688783 584634466 /nfs/dbraw/zinc/63/44/66/584634466.db2.gz PBMALJMIJKXLAY-RBSFLKMASA-N 3 0 339.484 -0.948 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C[C@H]1C[NH+](C)C ZINC000884706397 584634992 /nfs/dbraw/zinc/63/49/92/584634992.db2.gz BIBSOQNEQZPIPB-KFWWJZLASA-N 3 0 339.484 -0.962 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CCN1c1cc[nH+]cc1 ZINC000884725921 584636576 /nfs/dbraw/zinc/63/65/76/584636576.db2.gz CIDKBYSHSRSGDC-ZFWWWQNUSA-N 2 0 347.419 -0.777 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884974002 584641724 /nfs/dbraw/zinc/64/17/24/584641724.db2.gz KLBLWWSTZUBKCT-CQSZACIVSA-N 2 0 342.484 -0.083 20 0 EBADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000887093382 584676561 /nfs/dbraw/zinc/67/65/61/584676561.db2.gz JERIVCLNZBSPSF-AWEZNQCLSA-N 2 0 349.435 -0.448 20 0 EBADRP O=C(NCC[NH+]1CCC1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000890138445 584693069 /nfs/dbraw/zinc/69/30/69/584693069.db2.gz ZIQOENXQLHTLKL-MRXNPFEDSA-N 2 0 339.484 -0.212 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+]C2(C(N)=O)CCCC2)C1 ZINC000081099937 649972032 /nfs/dbraw/zinc/97/20/32/649972032.db2.gz RMCOGHITLPEVIE-AWEZNQCLSA-N 2 0 340.468 -0.153 20 0 EBADRP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262106840 649986355 /nfs/dbraw/zinc/98/63/55/649986355.db2.gz VITLOQFUNCGQGM-NWDGAFQWSA-N 2 0 338.374 -0.293 20 0 EBADRP C[C@@H](O)[C@@H]1NC(=O)N(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000349295798 650004782 /nfs/dbraw/zinc/00/47/82/650004782.db2.gz MKCCECMATODAAZ-HIFRSBDPSA-N 2 0 347.419 -0.105 20 0 EBADRP CC1(C)CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C[C@H]1[NH3+] ZINC000904986306 650055788 /nfs/dbraw/zinc/05/57/88/650055788.db2.gz HMSVWQBCCMGNSS-HZSPNIEDSA-N 2 0 338.452 -0.760 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000904995208 650056988 /nfs/dbraw/zinc/05/69/88/650056988.db2.gz KQIPRAAMMXQMDA-WMLDXEAASA-N 2 0 338.452 -0.623 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000905013298 650059606 /nfs/dbraw/zinc/05/96/06/650059606.db2.gz GBZKTCRACPQMER-AWEZNQCLSA-N 2 0 326.441 -0.767 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000905016571 650059787 /nfs/dbraw/zinc/05/97/87/650059787.db2.gz SRDVIDXULOAQPC-UONOGXRCSA-N 2 0 326.441 -0.767 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000905023028 650061254 /nfs/dbraw/zinc/06/12/54/650061254.db2.gz SRFZMORHGRZVED-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@@H](O)C3(O)CCOCC3)C2)CC1 ZINC000905111239 650061732 /nfs/dbraw/zinc/06/17/32/650061732.db2.gz VBZOGUHUJAXMDJ-GOEBONIOSA-N 2 0 327.469 -0.353 20 0 EBADRP CC(C)[C@H](C[NH2+]C[C@H](O)C[C@]1(O)CCOC1)N1CC[NH+](C)CC1 ZINC000905110237 650062106 /nfs/dbraw/zinc/06/21/06/650062106.db2.gz LHADOJARHAJYKZ-IXDOHACOSA-N 2 0 329.485 -0.250 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000905396508 650063535 /nfs/dbraw/zinc/06/35/35/650063535.db2.gz OIGSBDJKTFGBMI-MRXNPFEDSA-N 2 0 326.485 -0.047 20 0 EBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C3CN(C)CC[NH+](C)C3)C2)CC1 ZINC000906661662 650069503 /nfs/dbraw/zinc/06/95/03/650069503.db2.gz SJRFLVMQPGYAMX-MRXNPFEDSA-N 2 0 337.512 -0.236 20 0 EBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)CC2)C1=O ZINC000908186549 650097957 /nfs/dbraw/zinc/09/79/57/650097957.db2.gz WXMJLSJVEIQPEM-KEYYUXOJSA-N 2 0 338.452 -0.747 20 0 EBADRP COC(=O)[C@H]1CN(C(=O)C2C[NH+](C3CCOCC3)C2)CC[N@H+](C)C1 ZINC000910413006 650110819 /nfs/dbraw/zinc/11/08/19/650110819.db2.gz CWTYNHRVKLHJHH-CQSZACIVSA-N 2 0 339.436 -0.340 20 0 EBADRP COC(=O)[C@@H]1CN(C(=O)C2CN(C)CC[NH+](C)C2)CC[N@H+](C)C1 ZINC000910412795 650110923 /nfs/dbraw/zinc/11/09/23/650110923.db2.gz DEWZOLDGIAFDRK-AWEZNQCLSA-N 2 0 326.441 -0.957 20 0 EBADRP CCN1CC[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000910595646 650115129 /nfs/dbraw/zinc/11/51/29/650115129.db2.gz AFGHAEUGAXJWLT-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000910955357 650142056 /nfs/dbraw/zinc/14/20/56/650142056.db2.gz CWMGOEZJLIJDCC-GHMZBOCLSA-N 2 0 336.358 -0.065 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CCCC1 ZINC000910953326 650142085 /nfs/dbraw/zinc/14/20/85/650142085.db2.gz RRQFXXMBHMSNNJ-HNNXBMFYSA-N 2 0 326.441 -0.711 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CCCO1 ZINC000910982107 650143574 /nfs/dbraw/zinc/14/35/74/650143574.db2.gz AKIXPCPDXOUWSK-KGLIPLIRSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000910985218 650143872 /nfs/dbraw/zinc/14/38/72/650143872.db2.gz UHSSAZSZDGROJT-KFWWJZLASA-N 2 0 340.468 -0.425 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000911003019 650144630 /nfs/dbraw/zinc/14/46/30/650144630.db2.gz FZUWKDYENYATSK-CYBMUJFWSA-N 2 0 326.441 -0.672 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000911009095 650144899 /nfs/dbraw/zinc/14/48/99/650144899.db2.gz QJMYTAJECBMCSW-GWOFURMSSA-N 2 0 336.358 -0.067 20 0 EBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000911011393 650145382 /nfs/dbraw/zinc/14/53/82/650145382.db2.gz GBSISJRNYVFBLA-NWANDNLSSA-N 2 0 338.452 -0.570 20 0 EBADRP C[N@H+](CCCCNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)C1CC1 ZINC000911016806 650145523 /nfs/dbraw/zinc/14/55/23/650145523.db2.gz GYONWVFQKYWKRJ-MRXNPFEDSA-N 2 0 326.441 -0.711 20 0 EBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000911027947 650146212 /nfs/dbraw/zinc/14/62/12/650146212.db2.gz GBWLKBCYLYLHSW-CKEIUWERSA-N 2 0 340.468 -0.465 20 0 EBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC[C@H]([NH3+])C3)C2)CC1 ZINC000911032611 650146680 /nfs/dbraw/zinc/14/66/80/650146680.db2.gz FRJBNEHVTNAZTI-UONOGXRCSA-N 2 0 337.468 -0.779 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911031777 650146798 /nfs/dbraw/zinc/14/67/98/650146798.db2.gz TWTWFWNIUZTHKK-FVQBIDKESA-N 2 0 345.447 -0.911 20 0 EBADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000911065272 650148911 /nfs/dbraw/zinc/14/89/11/650148911.db2.gz ACMNJDUDUIJIEC-QGZVFWFLSA-N 2 0 340.468 -0.465 20 0 EBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1(C)C ZINC000911097143 650151036 /nfs/dbraw/zinc/15/10/36/650151036.db2.gz NQZLHRYXUGBWFN-CYBMUJFWSA-N 2 0 339.484 -0.676 20 0 EBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1(C)C ZINC000911097695 650151095 /nfs/dbraw/zinc/15/10/95/650151095.db2.gz VJRDPIRKVGBSNN-BFHYXJOUSA-N 2 0 337.468 -0.862 20 0 EBADRP C[C@H](NC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2)[C@@H]1CN(C)CCO1 ZINC000911161291 650155893 /nfs/dbraw/zinc/15/58/93/650155893.db2.gz FWAVYAGDLADVFX-GRDNDAEWSA-N 2 0 338.452 -0.434 20 0 EBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000911148443 650154329 /nfs/dbraw/zinc/15/43/29/650154329.db2.gz OILIPVQMGOISRT-SOUVJXGZSA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C[C@H]1CC[NH3+] ZINC000911148818 650154492 /nfs/dbraw/zinc/15/44/92/650154492.db2.gz RBOFPPBQQWTMCI-KBXIAJHMSA-N 2 0 338.452 -0.591 20 0 EBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000911161944 650155551 /nfs/dbraw/zinc/15/55/51/650155551.db2.gz MZJOFZPPBLEVOF-HZSPNIEDSA-N 2 0 326.441 -0.578 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)NCC2([NH3+])CC2)Cc2ccccc2C1 ZINC000911159278 650155661 /nfs/dbraw/zinc/15/56/61/650155661.db2.gz QEQBYRPMWRISSR-UHFFFAOYSA-N 2 0 330.432 -0.191 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000911197060 650158844 /nfs/dbraw/zinc/15/88/44/650158844.db2.gz ZJVDKGAJJSMKRC-AWEZNQCLSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C[C@H]1CC[NH3+] ZINC000911200091 650159197 /nfs/dbraw/zinc/15/91/97/650159197.db2.gz PFVKNDODXHKCNT-IOASZLSFSA-N 2 0 342.509 -0.017 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1CCOC ZINC000911206392 650159778 /nfs/dbraw/zinc/15/97/78/650159778.db2.gz DJVFUTCYDMBROL-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[C@H]1C(F)(F)F ZINC000911224405 650160647 /nfs/dbraw/zinc/16/06/47/650160647.db2.gz XZQDJZOOJSJSLT-IJLUTSLNSA-N 2 0 348.369 -0.065 20 0 EBADRP CC(C)(CNC(=O)C(=O)N1CCNCC[NH2+]CC1)C[NH+]1CCCC1 ZINC000911230088 650161051 /nfs/dbraw/zinc/16/10/51/650161051.db2.gz NDWKKAFNFXUGNI-UHFFFAOYSA-N 2 0 339.484 -0.754 20 0 EBADRP COCCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000911246830 650162787 /nfs/dbraw/zinc/16/27/87/650162787.db2.gz KJIZLVMHTVAJKN-GASCZTMLSA-N 2 0 338.452 -0.434 20 0 EBADRP O=C(NCCCN1CCOCC1)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911248121 650162934 /nfs/dbraw/zinc/16/29/34/650162934.db2.gz TZKREEZBCLWFSE-AWEZNQCLSA-N 2 0 326.441 -0.527 20 0 EBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000911256230 650163533 /nfs/dbraw/zinc/16/35/33/650163533.db2.gz UAKXSCRMUOCWME-ZDUSSCGKSA-N 2 0 340.468 -0.058 20 0 EBADRP CC(C)[NH+](CCNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)C(C)C ZINC000911266372 650163914 /nfs/dbraw/zinc/16/39/14/650163914.db2.gz HYYLIDRUPGUGCP-MRXNPFEDSA-N 2 0 328.457 -0.466 20 0 EBADRP CC[NH2+]CCCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911270624 650164850 /nfs/dbraw/zinc/16/48/50/650164850.db2.gz OGWANZNINVDPRP-ZIAGYGMSSA-N 2 0 326.441 -0.840 20 0 EBADRP O=C(NCCC[NH2+]C1CC1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911270362 650164941 /nfs/dbraw/zinc/16/49/41/650164941.db2.gz KVTDVTRZKMALOT-GJZGRUSLSA-N 2 0 338.452 -0.698 20 0 EBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000911273967 650165281 /nfs/dbraw/zinc/16/52/81/650165281.db2.gz NQJFIEWULUQTLB-UHFFFAOYSA-N 2 0 341.500 -0.556 20 0 EBADRP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000911277520 650165829 /nfs/dbraw/zinc/16/58/29/650165829.db2.gz UXFURQIFDQHRDG-RBSFLKMASA-N 2 0 338.452 -0.840 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)C[NH+](C)C ZINC000911284911 650166652 /nfs/dbraw/zinc/16/66/52/650166652.db2.gz SONHIWZAKJWUAB-CABCVRRESA-N 2 0 336.436 -0.115 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)C[NH+](C)C ZINC000911299800 650167623 /nfs/dbraw/zinc/16/76/23/650167623.db2.gz ZUIKHBGHZQYWLW-CJNGLKHVSA-N 2 0 328.457 -0.425 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000911242495 650162327 /nfs/dbraw/zinc/16/23/27/650162327.db2.gz ISTLPUALHLIKDI-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC[NH2+]1 ZINC000911309478 650169818 /nfs/dbraw/zinc/16/98/18/650169818.db2.gz SNNVWPBUJQBAEV-APIJFGDWSA-N 2 0 338.452 -0.699 20 0 EBADRP [NH3+]CCCCCCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911313709 650170611 /nfs/dbraw/zinc/17/06/11/650170611.db2.gz TVOBPCVEBXTUAJ-GJZGRUSLSA-N 2 0 340.468 -0.321 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C[NH2+]1 ZINC000911347121 650173860 /nfs/dbraw/zinc/17/38/60/650173860.db2.gz JKFLCJKCMKKIPX-LXTVHRRPSA-N 2 0 338.452 -0.699 20 0 EBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000911335878 650171742 /nfs/dbraw/zinc/17/17/42/650171742.db2.gz BZOPRLDBMAOPIA-KGLIPLIRSA-N 2 0 338.452 -0.530 20 0 EBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000911330365 650171904 /nfs/dbraw/zinc/17/19/04/650171904.db2.gz JSLACFDMAMTUNU-WMLDXEAASA-N 2 0 340.468 -0.465 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000911373615 650176267 /nfs/dbraw/zinc/17/62/67/650176267.db2.gz HPBDUHHOASKJBV-TZMCWYRMSA-N 2 0 326.441 -0.720 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911373290 650176385 /nfs/dbraw/zinc/17/63/85/650176385.db2.gz CDKGSNPPKPSKMW-QLFBSQMISA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1cccnc1 ZINC000911418424 650181074 /nfs/dbraw/zinc/18/10/74/650181074.db2.gz GRQCYCOXYVXTEO-KKUMJFAQSA-N 2 0 331.420 -0.237 20 0 EBADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCSC[C@@H]23)C1 ZINC000911419369 650181852 /nfs/dbraw/zinc/18/18/52/650181852.db2.gz MSWXQJNOWICGQL-MJBXVCDLSA-N 2 0 340.493 -0.250 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C[NH+](C)C ZINC000911433021 650183074 /nfs/dbraw/zinc/18/30/74/650183074.db2.gz ATEDWZGUIFJAFE-XYPHTWIQSA-N 2 0 340.468 -0.473 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)C[NH+](C)C ZINC000911433746 650183514 /nfs/dbraw/zinc/18/35/14/650183514.db2.gz CZWGTNJOLKILDF-XJKSGUPXSA-N 2 0 326.441 -0.719 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CCC(C[NH2+]C)CC1)C[NH+](C)C ZINC000911435593 650183803 /nfs/dbraw/zinc/18/38/03/650183803.db2.gz NMAHBDADFNJNJK-AWEZNQCLSA-N 2 0 328.457 -0.473 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CCC(CC[NH3+])CC1)C[NH+](C)C ZINC000911436846 650183866 /nfs/dbraw/zinc/18/38/66/650183866.db2.gz WUWXSKOVRFGKCW-AWEZNQCLSA-N 2 0 328.457 -0.343 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000911487560 650188175 /nfs/dbraw/zinc/18/81/75/650188175.db2.gz VFWLBVFWOSXZKA-TUVASFSCSA-N 2 0 340.468 -0.155 20 0 EBADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911505367 650188578 /nfs/dbraw/zinc/18/85/78/650188578.db2.gz BKTPAWWGXCCWAS-UHFFFAOYSA-N 2 0 326.441 -0.447 20 0 EBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000911528794 650190504 /nfs/dbraw/zinc/19/05/04/650190504.db2.gz RSCMGHGYDARDLM-CQSZACIVSA-N 2 0 331.420 -0.156 20 0 EBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000911519856 650189499 /nfs/dbraw/zinc/18/94/99/650189499.db2.gz LJLBSGYPOYLJNS-AWEZNQCLSA-N 2 0 340.468 -0.594 20 0 EBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000911533727 650190915 /nfs/dbraw/zinc/19/09/15/650190915.db2.gz QMESKZVMVVFPLP-ZDUSSCGKSA-N 2 0 326.441 -0.589 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CCO1 ZINC000911535931 650191420 /nfs/dbraw/zinc/19/14/20/650191420.db2.gz WBQSLTZNZUTFHG-UONOGXRCSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000911559397 650193410 /nfs/dbraw/zinc/19/34/10/650193410.db2.gz DOONWJWFKLSZON-AAVRWANBSA-N 2 0 326.441 -0.545 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911563525 650193868 /nfs/dbraw/zinc/19/38/68/650193868.db2.gz OMRUCNARRMXDEK-IHRRRGAJSA-N 2 0 326.441 -0.591 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1ccnn1CC[NH+](C)C ZINC000912460596 650205741 /nfs/dbraw/zinc/20/57/41/650205741.db2.gz DYUOAJMUFLZYCO-UHFFFAOYSA-N 2 0 338.456 -0.463 20 0 EBADRP C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000912715603 650211493 /nfs/dbraw/zinc/21/14/93/650211493.db2.gz ZWLOPGMCOFTVOV-DOTOQJQBSA-N 2 0 325.453 -0.109 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)CC2C(=O)N=CNC2=O)C[C@H]1C[NH+](C)C ZINC000913438596 650233518 /nfs/dbraw/zinc/23/35/18/650233518.db2.gz SINXFJAFCXBGOE-VXGBXAGGSA-N 2 0 337.424 -0.372 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)[C@@H]1COC[C@H]1O ZINC000913832596 650246317 /nfs/dbraw/zinc/24/63/17/650246317.db2.gz ZGHGAKJHGNLJFG-ZIAGYGMSSA-N 2 0 337.486 -0.719 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@H](CO)NC(=O)[C@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC000913915596 650248381 /nfs/dbraw/zinc/24/83/81/650248381.db2.gz INQPNFMSEMRWQA-KFWWJZLASA-N 2 0 344.500 -0.248 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)[C@@H]1COC[C@H]1O ZINC000914030823 650250544 /nfs/dbraw/zinc/25/05/44/650250544.db2.gz HDFYUDWKABYVSW-RBSFLKMASA-N 2 0 349.497 -0.576 20 0 EBADRP O=S1(=O)CCCN1[C@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923371888 650339089 /nfs/dbraw/zinc/33/90/89/650339089.db2.gz AUTQMPLDLDWXCO-UONOGXRCSA-N 2 0 329.466 -0.135 20 0 EBADRP COCCN(C)C[C@@H](O)C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000923378274 650339217 /nfs/dbraw/zinc/33/92/17/650339217.db2.gz UBUHOTJCVDQISZ-OAGGEKHMSA-N 2 0 327.469 -0.374 20 0 EBADRP C[C@@H]1C[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[C@@H]1C[NH3+] ZINC000923500777 650342287 /nfs/dbraw/zinc/34/22/87/650342287.db2.gz YBCJSNGNHIFLBE-CHWSQXEVSA-N 2 0 348.451 -0.260 20 0 EBADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923652270 650350498 /nfs/dbraw/zinc/35/04/98/650350498.db2.gz KLTJVTAQVZTWMR-MGPQQGTHSA-N 2 0 332.470 -0.503 20 0 EBADRP [NH3+]C[C@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CC[C@H]1C(F)(F)F ZINC000923661499 650351448 /nfs/dbraw/zinc/35/14/48/650351448.db2.gz KRMVZZOGJWIEIU-VHSXEESVSA-N 2 0 330.376 -0.405 20 0 EBADRP C[C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CCN1c1cc[nH+]cc1 ZINC000923670813 650351744 /nfs/dbraw/zinc/35/17/44/650351744.db2.gz GVAPLKOINXPUGI-CYBMUJFWSA-N 2 0 325.438 -0.258 20 0 EBADRP C[NH+](C)CC[C@@H](NS(=O)(=O)N1CC[NH2+]CC1)c1cccnc1 ZINC000923676788 650352011 /nfs/dbraw/zinc/35/20/11/650352011.db2.gz NPIWGIDZYKBQQT-CQSZACIVSA-N 2 0 327.454 -0.186 20 0 EBADRP C[C@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CCN1c1cc[nH+]cc1 ZINC000923670815 650352046 /nfs/dbraw/zinc/35/20/46/650352046.db2.gz GVAPLKOINXPUGI-ZDUSSCGKSA-N 2 0 325.438 -0.258 20 0 EBADRP CC(C)[C@@H](CN1C(=O)N[C@H](C[NH+](C)C)C1=O)[NH+]1CCN(C)CC1 ZINC000924454409 650363199 /nfs/dbraw/zinc/36/31/99/650363199.db2.gz BBFBLVQODYZVER-ZIAGYGMSSA-N 2 0 325.457 -0.260 20 0 EBADRP C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000925169753 650373840 /nfs/dbraw/zinc/37/38/40/650373840.db2.gz KOGOLZUQYSIAGZ-MQYQWHSLSA-N 2 0 328.482 -0.070 20 0 EBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926305812 650385267 /nfs/dbraw/zinc/38/52/67/650385267.db2.gz DLTSGEJRBRJEHF-CJNGLKHVSA-N 2 0 326.441 -0.901 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)CC[C@@H]1C[NH3+] ZINC000926336531 650386829 /nfs/dbraw/zinc/38/68/29/650386829.db2.gz XYFMGXMLRMOOCE-MGPQQGTHSA-N 2 0 326.441 -0.781 20 0 EBADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000926348621 650388085 /nfs/dbraw/zinc/38/80/85/650388085.db2.gz SZORDLYYKUNAEK-MRXNPFEDSA-N 2 0 338.452 -0.615 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)[C@@H](C)C1 ZINC000926348903 650388174 /nfs/dbraw/zinc/38/81/74/650388174.db2.gz WMDRGWQJURMAPQ-ZQIUZPCESA-N 2 0 340.468 -0.513 20 0 EBADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)[N@H+](C)C1 ZINC000926413263 650392084 /nfs/dbraw/zinc/39/20/84/650392084.db2.gz FTLONWAVVWLMRT-RDBSUJKOSA-N 2 0 326.441 -0.639 20 0 EBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000927639754 651506579 /nfs/dbraw/zinc/50/65/79/651506579.db2.gz FNYMFIPCPHXRQG-GDBMZVCRSA-N 2 0 326.441 -0.395 20 0 EBADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)c1 ZINC000927883529 651511303 /nfs/dbraw/zinc/51/13/03/651511303.db2.gz AQUKPKHUIBJQRK-QGZVFWFLSA-N 2 0 334.420 -0.001 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[C@H]1C[NH3+] ZINC000927893554 651511798 /nfs/dbraw/zinc/51/17/98/651511798.db2.gz HSDBXYJSAZETIZ-OLZOCXBDSA-N 2 0 336.440 -0.174 20 0 EBADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000929090606 651531212 /nfs/dbraw/zinc/53/12/12/651531212.db2.gz JSDNDEVEFJGULI-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000929526650 651552688 /nfs/dbraw/zinc/55/26/88/651552688.db2.gz UFDJGXDCUGGXDL-UHFFFAOYSA-N 2 0 340.468 -0.232 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)C[NH+](C)C ZINC000929568813 651554748 /nfs/dbraw/zinc/55/47/48/651554748.db2.gz QETOGRSFKSWGHG-QLFBSQMISA-N 2 0 340.468 -0.188 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1 ZINC000931282438 651628897 /nfs/dbraw/zinc/62/88/97/651628897.db2.gz AVWTURZNFFRQKE-CBZIJGRNSA-N 2 0 338.496 -0.049 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@H]1CC(=O)NC1=O ZINC000931396550 651631121 /nfs/dbraw/zinc/63/11/21/651631121.db2.gz AYSCERWBKLHUHU-KGLIPLIRSA-N 2 0 338.452 -0.086 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)C[NH+](C)C ZINC000932465269 651681137 /nfs/dbraw/zinc/68/11/37/651681137.db2.gz FCXRPOGTHMLXQI-RBSFLKMASA-N 2 0 340.468 -0.378 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CC)C[NH+](C)C ZINC000932467519 651681825 /nfs/dbraw/zinc/68/18/25/651681825.db2.gz JNUCZEWOTBXYDV-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC)C1)C[NH+](C)C ZINC000932469065 651683056 /nfs/dbraw/zinc/68/30/56/651683056.db2.gz SQXMCDINGSULST-CABCVRRESA-N 2 0 342.484 -0.131 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N(C)CC1CC[NH+](C)CC1)C[NH+](C)C ZINC000932473533 651683746 /nfs/dbraw/zinc/68/37/46/651683746.db2.gz XIPPNRSNDQMWJE-OAHLLOKOSA-N 2 0 342.484 -0.131 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)C[NH+](C)C ZINC000932471671 651684052 /nfs/dbraw/zinc/68/40/52/651684052.db2.gz IHPNDGSYGLCWNQ-ZIAGYGMSSA-N 2 0 328.457 -0.378 20 0 EBADRP C[C@H]1C[N@H+](CCN2CCNC2=O)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944170842 652701173 /nfs/dbraw/zinc/70/11/73/652701173.db2.gz VNXXGSPLYQFUHQ-GJZGRUSLSA-N 2 0 349.479 -0.066 20 0 EBADRP CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)CC2)C1 ZINC000941494392 652769411 /nfs/dbraw/zinc/76/94/11/652769411.db2.gz KCQUFYBRSYRQIR-HQVVEAJESA-N 2 0 334.464 -0.302 20 0 EBADRP CC[NH+]1CC(N2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)CC2)C1 ZINC000941603246 652828165 /nfs/dbraw/zinc/82/81/65/652828165.db2.gz HAOMEMRTNRFRAQ-UHFFFAOYSA-N 2 0 334.468 -0.093 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H](OC)C1)[NH+](C)C ZINC000944529703 652837435 /nfs/dbraw/zinc/83/74/35/652837435.db2.gz XDORJAOPOSGCQZ-LXTVHRRPSA-N 2 0 340.468 -0.237 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)C1 ZINC000944598968 652900176 /nfs/dbraw/zinc/90/01/76/652900176.db2.gz DVTMCDKZVSFASF-LSDHHAIUSA-N 2 0 338.452 -0.623 20 0 EBADRP CC[C@H](C(=O)N1CCC(O)(C[NH2+][C@H]2CCN(C)C2=O)CC1)[NH+](C)C ZINC000946924838 653270624 /nfs/dbraw/zinc/27/06/24/653270624.db2.gz KGCUGIVKYSUPNM-UONOGXRCSA-N 2 0 340.468 -0.500 20 0 EBADRP CC[C@@H](C(=O)N1CCC(O)(C[NH2+][C@H]2CCN(C)C2=O)CC1)[NH+](C)C ZINC000946927569 653274194 /nfs/dbraw/zinc/27/41/94/653274194.db2.gz KGCUGIVKYSUPNM-KBPBESRZSA-N 2 0 340.468 -0.500 20 0 EBADRP CN1CC[C@@H]([NH2+]CC2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000946932837 653277181 /nfs/dbraw/zinc/27/71/81/653277181.db2.gz NMXAAJJDYBPQTB-ZIAGYGMSSA-N 2 0 338.452 -0.888 20 0 EBADRP C[C@@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)C[NH+]1CCCC1)CCO2 ZINC000949244727 653849159 /nfs/dbraw/zinc/84/91/59/653849159.db2.gz WLOFHDJPZZDEKQ-AWEZNQCLSA-N 2 0 338.452 -0.351 20 0 EBADRP C[NH+]1CCN(c2cccc(N3CC(=O)NC4(CC[NH2+]CC4)C3)n2)CC1 ZINC001164390544 718809122 /nfs/dbraw/zinc/80/91/22/718809122.db2.gz QYNQBCXVMYMDOM-UHFFFAOYSA-N 2 0 344.463 -0.108 20 0 EBADRP O=C(C[NH+]1CCCC1)NC1CC2(C1)CC([NH2+][C@H]1CCC(=O)NC1=O)C2 ZINC000965915752 724539625 /nfs/dbraw/zinc/53/96/25/724539625.db2.gz KARVPFWCVRZKSK-VYWJUGDHSA-N 2 0 348.447 -0.096 20 0 EBADRP C[NH+]1CCC(Oc2ccnc(N3CCNC(=O)C34C[NH2+]C4)c2)CC1 ZINC001164414811 718879600 /nfs/dbraw/zinc/87/96/00/718879600.db2.gz XKNDUDRCELVSEP-UHFFFAOYSA-N 2 0 331.420 -0.167 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000954843494 719934866 /nfs/dbraw/zinc/93/48/66/719934866.db2.gz VEJJGPIRUUSQDR-ZFWWWQNUSA-N 2 0 334.464 -0.051 20 0 EBADRP Cn1cc(C[N@H+]2C[C@@H](CNC(=O)C34CCC[NH+]3CCC4)[C@H](O)C2)cn1 ZINC000958214584 722328506 /nfs/dbraw/zinc/32/85/06/722328506.db2.gz JTECBIFVJCKFSM-HZPDHXFCSA-N 2 0 347.463 -0.043 20 0 EBADRP O=C(NC[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC000958215259 722328761 /nfs/dbraw/zinc/32/87/61/722328761.db2.gz VHNUMKKMOCBAJH-HOTGVXAUSA-N 2 0 347.463 -0.080 20 0 EBADRP Cn1nccc1CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958375660 722354346 /nfs/dbraw/zinc/35/43/46/722354346.db2.gz VKQGOUONGYXQHD-RDJZCZTQSA-N 2 0 349.479 -0.287 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC000958415516 722362798 /nfs/dbraw/zinc/36/27/98/722362798.db2.gz WHNOVMGHCJURGG-RSUWNVLCSA-N 2 0 334.420 -0.724 20 0 EBADRP Cn1cc(C[N@@H+]2C[C@@H](O)[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC000958592565 722397613 /nfs/dbraw/zinc/39/76/13/722397613.db2.gz RTXPJWJMQILAER-LSDHHAIUSA-N 2 0 333.436 -0.575 20 0 EBADRP CN(C(=O)Cn1ccnc1)[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000958881372 722634885 /nfs/dbraw/zinc/63/48/85/722634885.db2.gz UFLJPSHTBUGNSC-IHRRRGAJSA-N 2 0 335.408 -0.993 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)nc1=O ZINC000960216420 722807367 /nfs/dbraw/zinc/80/73/67/722807367.db2.gz HQILXKWCBZLSEG-STQMWFEESA-N 2 0 336.440 -0.469 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)C12CCC[NH+](CCC1)C2 ZINC000960520497 722835991 /nfs/dbraw/zinc/83/59/91/722835991.db2.gz BFGVXTHDLJKNNQ-LJISPDSOSA-N 2 0 332.448 -0.203 20 0 EBADRP C[N@H+](C[C@H]1CCCN1C(=O)Cc1cnc[nH]1)[C@@H]1CCC(=O)NC1=O ZINC000960910574 722878712 /nfs/dbraw/zinc/87/87/12/722878712.db2.gz MKFLDVKNDVSGCB-CHWSQXEVSA-N 2 0 333.392 -0.320 20 0 EBADRP C[N@H+](C[C@H]1CCCN1C(=O)Cc1cnc[nH]1)[C@H]1CCC(=O)NC1=O ZINC000960910578 722878871 /nfs/dbraw/zinc/87/88/71/722878871.db2.gz MKFLDVKNDVSGCB-OLZOCXBDSA-N 2 0 333.392 -0.320 20 0 EBADRP C[NH+]1CC[C@H](C(=O)N2CC3CN(C(=O)[C@H]4CC[N@@H+](C)C4)CC3C2)C1 ZINC000961601488 723043965 /nfs/dbraw/zinc/04/39/65/723043965.db2.gz YCCOVESGIOUJBH-FXQLRMTLSA-N 2 0 334.464 -0.193 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2nnc3n2CCOC3)C1 ZINC000961642839 723051228 /nfs/dbraw/zinc/05/12/28/723051228.db2.gz XGBNEXYNICEECN-RUXDESIVSA-N 2 0 348.451 -0.113 20 0 EBADRP O=C(N1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)C12CCC[NH+]1CCC2 ZINC001019087226 728792434 /nfs/dbraw/zinc/79/24/34/728792434.db2.gz JBITXRQMDADGGW-AWEZNQCLSA-N 2 0 348.447 -0.046 20 0 EBADRP O=C(N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)C12CCC[NH+]1CCC2 ZINC001019088445 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FNVQYJHPZCIMIY-STQMWFEESA-N 2 0 337.424 -0.787 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC000968452549 725065551 /nfs/dbraw/zinc/06/55/51/725065551.db2.gz IHCRZEXZGYGTSI-KFWWJZLASA-N 2 0 338.452 -0.890 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)C1CC1 ZINC000968915300 725128537 /nfs/dbraw/zinc/12/85/37/725128537.db2.gz HNJAPDDPWZXOEN-CZUORRHYSA-N 2 0 336.436 -0.334 20 0 EBADRP O=C(CCc1ncc[nH]1)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC000969090193 725150421 /nfs/dbraw/zinc/15/04/21/725150421.db2.gz PANWBKKAPQLEJX-OLZOCXBDSA-N 2 0 347.419 -0.874 20 0 EBADRP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC000969403878 725176787 /nfs/dbraw/zinc/17/67/87/725176787.db2.gz QAMCQZIANAZZSD-GYMHETDLSA-N 2 0 346.435 -0.668 20 0 EBADRP CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1)[NH+](C)C ZINC000969535271 725189734 /nfs/dbraw/zinc/18/97/34/725189734.db2.gz LHJHFLLXAZDJDU-KBXIAJHMSA-N 2 0 340.468 -0.645 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC000969955342 725231767 /nfs/dbraw/zinc/23/17/67/725231767.db2.gz PKUWSXDJPUECCS-HUUCEWRRSA-N 2 0 338.452 -0.623 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)[NH+](C)C ZINC000969985943 725235238 /nfs/dbraw/zinc/23/52/38/725235238.db2.gz PBOYCCSNUMTIBW-MCIONIFRSA-N 2 0 331.482 -0.048 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC000970727607 725320837 /nfs/dbraw/zinc/32/08/37/725320837.db2.gz LTMBRCACOIEPFB-LSDHHAIUSA-N 2 0 338.452 -0.623 20 0 EBADRP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](CCN2C(=O)CCC2=O)C1 ZINC000970877673 725336799 /nfs/dbraw/zinc/33/67/99/725336799.db2.gz IDECVONCNCEVKO-OLZOCXBDSA-N 2 0 336.436 -0.476 20 0 EBADRP C[N@H+](CCN1CCNC1=O)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000971544881 725419938 /nfs/dbraw/zinc/41/99/38/725419938.db2.gz FQDHHDQOXILGSO-HOTGVXAUSA-N 2 0 349.479 -0.114 20 0 EBADRP C[N@H+](CC(=O)N1CCO[C@H](C[NH2+][C@H]2CCCNC2=O)C1)C1CCC1 ZINC001051654316 735295331 /nfs/dbraw/zinc/29/53/31/735295331.db2.gz LEHLFLFAKIVIOG-CABCVRRESA-N 2 0 338.452 -0.434 20 0 EBADRP C[N@H+]([C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1)[C@H]1CCNC1=O ZINC000972629288 725565506 /nfs/dbraw/zinc/56/55/06/725565506.db2.gz UMQGTEXXXAZPNF-HIFRSBDPSA-N 2 0 338.452 -0.482 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2CN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC000991720298 725573532 /nfs/dbraw/zinc/57/35/32/725573532.db2.gz ZKNZMSRENZKFKP-ZDUSSCGKSA-N 2 0 338.452 -0.624 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CC(NC(=O)C[NH+]3CCCC3)C2)CC1 ZINC000991741644 725595824 /nfs/dbraw/zinc/59/58/24/725595824.db2.gz JOLYYNQLIHTCJI-UHFFFAOYSA-N 2 0 338.452 -0.480 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NC2CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC000992014736 725701932 /nfs/dbraw/zinc/70/19/32/725701932.db2.gz DZNTVTYALWRCRV-OAHLLOKOSA-N 2 0 348.451 -0.521 20 0 EBADRP Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCO1 ZINC001051686344 735324039 /nfs/dbraw/zinc/32/40/39/735324039.db2.gz WJXBDGHHWWIUMC-HUUCEWRRSA-N 2 0 336.440 -0.384 20 0 EBADRP Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCO1 ZINC001051686346 735323550 /nfs/dbraw/zinc/32/35/50/735323550.db2.gz WJXBDGHHWWIUMC-LSDHHAIUSA-N 2 0 336.440 -0.384 20 0 EBADRP Cc1cncn1CC(=O)N1CC(NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000993573781 725907932 /nfs/dbraw/zinc/90/79/32/725907932.db2.gz BVERUGKCWYHDKW-LSDHHAIUSA-N 2 0 347.419 -0.618 20 0 EBADRP O=C(Cc1cnc[nH]1)N1CC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000993573627 725907966 /nfs/dbraw/zinc/90/79/66/725907966.db2.gz ZPSBKSSEXUZZRY-KGLIPLIRSA-N 2 0 333.392 -0.858 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)C[C@H]32)C1 ZINC000976539901 726340389 /nfs/dbraw/zinc/34/03/89/726340389.db2.gz LBWPSRWJTBEWNN-SMLCLMEVSA-N 2 0 346.475 -0.147 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000976542787 726341753 /nfs/dbraw/zinc/34/17/53/726341753.db2.gz ZHOBJBCUGWMDST-FOLVSLTJSA-N 2 0 332.448 -0.249 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)nc1=O ZINC000996559759 726418452 /nfs/dbraw/zinc/41/84/52/726418452.db2.gz DPPPFSRJNAIDDH-CQSZACIVSA-N 2 0 348.451 -0.469 20 0 EBADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1)C(N)=O ZINC000996821809 726428818 /nfs/dbraw/zinc/42/88/18/726428818.db2.gz JHTFMFSCDOGZQV-DXMOGKONSA-N 2 0 336.436 -0.696 20 0 EBADRP O=C(Cn1ccnc1)N1CC(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000997048874 726435738 /nfs/dbraw/zinc/43/57/38/726435738.db2.gz FDUKBGLFGJLNHZ-TVIZTDCDSA-N 2 0 345.403 -0.927 20 0 EBADRP Cn1[nH]c(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nc1=O ZINC000997605157 726457306 /nfs/dbraw/zinc/45/73/06/726457306.db2.gz DLANTIUZMNWRPX-CYBMUJFWSA-N 2 0 336.440 -0.469 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC000997611785 726457464 /nfs/dbraw/zinc/45/74/64/726457464.db2.gz HKJGMBGIODGVIN-UONOGXRCSA-N 2 0 336.436 -0.286 20 0 EBADRP CC[C@@H](C(=O)N1CCC(C[NH2+][C@@H]2CCC(=O)NC2=O)CC1)[NH+](C)C ZINC000998084579 726475382 /nfs/dbraw/zinc/47/53/82/726475382.db2.gz CWFFWOZMNWOGRN-KGLIPLIRSA-N 2 0 338.452 -0.040 20 0 EBADRP Cn1nnnc1C[NH2+]CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000998216751 726481314 /nfs/dbraw/zinc/48/13/14/726481314.db2.gz KKAXZLHZRHXXBX-CQSZACIVSA-N 2 0 335.456 -0.120 20 0 EBADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000998992915 726503934 /nfs/dbraw/zinc/50/39/34/726503934.db2.gz BJPKVYSXKDTOBT-BPCQOVAHSA-N 2 0 336.440 -0.328 20 0 EBADRP CN(C(=O)C12CCC[NH+]1CCC2)C1CC([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC000999050008 726505611 /nfs/dbraw/zinc/50/56/11/726505611.db2.gz HVDQONSKWZFHNO-JXQTWKCFSA-N 2 0 348.447 -0.001 20 0 EBADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1)C(N)=O ZINC000999493937 726520892 /nfs/dbraw/zinc/52/08/92/726520892.db2.gz NOQTVKVLFVFOFW-KBPBESRZSA-N 2 0 340.468 -0.201 20 0 EBADRP 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ZINC001000919743 726583891 /nfs/dbraw/zinc/58/38/91/726583891.db2.gz QOSYVHHWRAELCW-LSDHHAIUSA-N 2 0 338.452 -0.623 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001001263266 726599692 /nfs/dbraw/zinc/59/96/92/726599692.db2.gz JCFQDXDBOPCNIG-KGLIPLIRSA-N 2 0 336.436 -0.286 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001003333110 726670041 /nfs/dbraw/zinc/67/00/41/726670041.db2.gz IGQDPOKJLZUGHF-UKRRQHHQSA-N 2 0 334.464 -0.146 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001003333109 726670062 /nfs/dbraw/zinc/67/00/62/726670062.db2.gz IGQDPOKJLZUGHF-HIFRSBDPSA-N 2 0 334.464 -0.146 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001003629350 726682657 /nfs/dbraw/zinc/68/26/57/726682657.db2.gz ZOZXGXCUXBGLGP-JSGCOSHPSA-N 2 0 336.436 -0.144 20 0 EBADRP O=C(C[NH+]1CCCC1)NC1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001004148381 726701539 /nfs/dbraw/zinc/70/15/39/726701539.db2.gz RJLHLJZKTHTFHF-UHFFFAOYSA-N 2 0 337.424 -0.785 20 0 EBADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001009226481 726874566 /nfs/dbraw/zinc/87/45/66/726874566.db2.gz QWZRIDJORLMEOG-CQSZACIVSA-N 2 0 335.452 -0.312 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001051825661 735417352 /nfs/dbraw/zinc/41/73/52/735417352.db2.gz VCNGHDFBSGYQRB-UONOGXRCSA-N 2 0 338.452 -0.576 20 0 EBADRP Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCO1 ZINC001051902125 735454687 /nfs/dbraw/zinc/45/46/87/735454687.db2.gz VLIVQEPVDXPGGF-UKRRQHHQSA-N 2 0 336.440 -0.526 20 0 EBADRP CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CCO2)C1=O ZINC001051902982 735455403 /nfs/dbraw/zinc/45/54/03/735455403.db2.gz NTTCDKLDXQQSAY-KGLIPLIRSA-N 2 0 336.436 -0.870 20 0 EBADRP COc1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CCO2)nn1 ZINC001051932139 735469778 /nfs/dbraw/zinc/46/97/78/735469778.db2.gz LMUILGMMYSPSPX-ZFWWWQNUSA-N 2 0 349.435 -0.246 20 0 EBADRP CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001051932144 735469885 /nfs/dbraw/zinc/46/98/85/735469885.db2.gz LOSMOABUGPZCAB-DZGCQCFKSA-N 2 0 336.440 -0.433 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C2)n1 ZINC001014459105 727957173 /nfs/dbraw/zinc/95/71/73/727957173.db2.gz JZIOWXNQQFGKAN-AWEZNQCLSA-N 2 0 346.439 -0.460 20 0 EBADRP O=C(N[C@@H]1CC[N@H+](CCN2CCNC2=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001014459615 727957195 /nfs/dbraw/zinc/95/71/95/727957195.db2.gz VTIQBIVCKWHZFD-HUUCEWRRSA-N 2 0 335.452 -0.456 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CC[C@H](N2CC[NH+](CCCO)CC2)C1)C1CC1 ZINC001052036312 735513857 /nfs/dbraw/zinc/51/38/57/735513857.db2.gz LCIKUTLAVXNMKA-DLBZAZTESA-N 2 0 338.496 -0.073 20 0 EBADRP NC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001016741340 728500248 /nfs/dbraw/zinc/50/02/48/728500248.db2.gz VMKDAEJZFDVLOC-RYTBJUFESA-N 2 0 348.447 -0.694 20 0 EBADRP C[C@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001017747914 728608412 /nfs/dbraw/zinc/60/84/12/728608412.db2.gz LWICEKMMXMRUSK-GVBXBTQWSA-N 2 0 335.448 -0.094 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N2CC[C@@H](N3CC[NH+](CCO)CC3)C2)CC[N@@H+]1C ZINC001052070443 735532210 /nfs/dbraw/zinc/53/22/10/735532210.db2.gz IJRAQULMGYBFOK-YESZJQIVSA-N 2 0 338.496 -0.073 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC001018867116 728696488 /nfs/dbraw/zinc/69/64/88/728696488.db2.gz GVWVSIGEOCQQKV-FRRDWIJNSA-N 2 0 337.424 -0.931 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001019664490 728969661 /nfs/dbraw/zinc/96/96/61/728969661.db2.gz BUHQJRZVMNMLQX-AAEUAGOBSA-N 2 0 345.403 -0.243 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)CCO1 ZINC001020028803 729059035 /nfs/dbraw/zinc/05/90/35/729059035.db2.gz KBNSYANVDZAIPG-KBUPBQIOSA-N 2 0 338.452 -0.435 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)CCO1 ZINC001020028802 729059081 /nfs/dbraw/zinc/05/90/81/729059081.db2.gz KBNSYANVDZAIPG-AJNGGQMLSA-N 2 0 338.452 -0.435 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)nc1=O ZINC001020150641 729086446 /nfs/dbraw/zinc/08/64/46/729086446.db2.gz ZQQHTWARKLAFIE-SYQHCUMBSA-N 2 0 348.451 -0.280 20 0 EBADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1)C(N)=O ZINC001020165278 729089369 /nfs/dbraw/zinc/08/93/69/729089369.db2.gz RATHPXCREQRLEP-AVGNSLFASA-N 2 0 336.440 -0.441 20 0 EBADRP Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020178783 729092427 /nfs/dbraw/zinc/09/24/27/729092427.db2.gz FBRUKEAYNYDCOO-SYQHCUMBSA-N 2 0 334.424 -0.585 20 0 EBADRP O=C(N[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)c1ccn2c[nH+]cc2c1 ZINC001020354709 729144981 /nfs/dbraw/zinc/14/49/81/729144981.db2.gz DRYLUUIMKQAPBO-YRGRVCCFSA-N 2 0 341.371 -0.010 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)nc1=O ZINC001020719702 729222752 /nfs/dbraw/zinc/22/27/52/729222752.db2.gz PHUCCLXAHHAZIL-AAVRWANBSA-N 2 0 348.451 -0.138 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]CCn3cncn3)C2)cn1 ZINC001020721459 729223465 /nfs/dbraw/zinc/22/34/65/729223465.db2.gz OJKWBSUUPRIHGU-SHTZXODSSA-N 2 0 346.439 -0.413 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001021047641 729274667 /nfs/dbraw/zinc/27/46/67/729274667.db2.gz KCLGKKWTNKIBLR-AJNGGQMLSA-N 2 0 343.493 0.000 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(N)=O)cn1 ZINC001021406608 729310938 /nfs/dbraw/zinc/31/09/38/729310938.db2.gz RYGNMLIWSSWVOY-GOOCMWNKSA-N 2 0 348.451 -0.345 20 0 EBADRP CCN1CCO[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)NC)C1 ZINC001021464704 729315326 /nfs/dbraw/zinc/31/53/26/729315326.db2.gz JCRGELBIXFCDMA-JALIKCBVSA-N 2 0 338.452 -0.435 20 0 EBADRP O=C(N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001022118959 729457223 /nfs/dbraw/zinc/45/72/23/729457223.db2.gz BBSBLSSICPQTKP-BARDWOONSA-N 2 0 334.424 -0.622 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001022293719 729474282 /nfs/dbraw/zinc/47/42/82/729474282.db2.gz WNRCVKBQAQTMQW-FRRDWIJNSA-N 2 0 337.424 -0.741 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001022289959 729474437 /nfs/dbraw/zinc/47/44/37/729474437.db2.gz DDLHHLDKUFVMGK-HZSPNIEDSA-N 2 0 336.436 -0.144 20 0 EBADRP O=C(N[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)c1ccn2c[nH+]cc2c1 ZINC001022370289 729486456 /nfs/dbraw/zinc/48/64/56/729486456.db2.gz DRYLUUIMKQAPBO-MBNYWOFBSA-N 2 0 341.371 -0.010 20 0 EBADRP Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001022452021 729495678 /nfs/dbraw/zinc/49/56/78/729495678.db2.gz JGVYSWKBHWBMGT-DFSBOIMQSA-N 2 0 346.435 -0.585 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001022646885 729521166 /nfs/dbraw/zinc/52/11/66/729521166.db2.gz YKVGSYOHDLJPEO-YUELXQCFSA-N 2 0 343.493 0.000 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001022715932 729524465 /nfs/dbraw/zinc/52/44/65/729524465.db2.gz OHOOISMYVISCIG-LJISPDSOSA-N 2 0 343.493 0.000 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)cn1 ZINC001022838770 729536588 /nfs/dbraw/zinc/53/65/88/729536588.db2.gz ZLOQWLBLBHCNGJ-QLFBSQMISA-N 2 0 348.451 -0.426 20 0 EBADRP Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001022838059 729536718 /nfs/dbraw/zinc/53/67/18/729536718.db2.gz BFZSVVZGRCRRFK-OKILXGFUSA-N 2 0 346.439 -0.376 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)CCO1 ZINC001023086365 729598530 /nfs/dbraw/zinc/59/85/30/729598530.db2.gz JTKXHGFTNKVVAV-LJISPDSOSA-N 2 0 338.452 -0.578 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)CCO1 ZINC001023086366 729598635 /nfs/dbraw/zinc/59/86/35/729598635.db2.gz JTKXHGFTNKVVAV-TUVASFSCSA-N 2 0 338.452 -0.578 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001023086740 729598827 /nfs/dbraw/zinc/59/88/27/729598827.db2.gz VWDNMSPAUNILQI-RQJABVFESA-N 2 0 329.466 -0.390 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001023086471 729598882 /nfs/dbraw/zinc/59/88/82/729598882.db2.gz NBMFIYGDBKWDEY-ZQDZILKHSA-N 2 0 343.493 0.000 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1)[NH+](C)C ZINC001023793776 729800174 /nfs/dbraw/zinc/80/01/74/729800174.db2.gz QSMDQVNUYVSGAY-MGPQQGTHSA-N 2 0 326.441 -0.890 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023796878 729801271 /nfs/dbraw/zinc/80/12/71/729801271.db2.gz OLPZOGYTAPJNAG-RRFJBIMHSA-N 2 0 338.452 -0.746 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)nc1=O ZINC001024266737 729867850 /nfs/dbraw/zinc/86/78/50/729867850.db2.gz SIQCXSQVBJOGKZ-ZDUSSCGKSA-N 2 0 336.440 -0.468 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1)[NH+](C)C ZINC001024416691 729884688 /nfs/dbraw/zinc/88/46/88/729884688.db2.gz VIUMRJQWMWMPBA-QLFBSQMISA-N 2 0 340.468 -0.644 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)[NH+](C)C ZINC001024787535 729929271 /nfs/dbraw/zinc/92/92/71/729929271.db2.gz QWVNWDBKBDQOHT-HZSPNIEDSA-N 2 0 338.452 -0.890 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001025707999 730076798 /nfs/dbraw/zinc/07/67/98/730076798.db2.gz IEHRRRUBZFPLEF-AALSBFMBSA-N 2 0 333.436 -0.615 20 0 EBADRP CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001025781742 730086955 /nfs/dbraw/zinc/08/69/55/730086955.db2.gz LYSXDOWLJRNZLP-NBFUAULTSA-N 2 0 334.464 -0.005 20 0 EBADRP Cn1cncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025799058 730090098 /nfs/dbraw/zinc/09/00/98/730090098.db2.gz RCSCZUUBTKCUQT-ZUOZUFPHSA-N 2 0 345.447 -0.170 20 0 EBADRP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908418 730104715 /nfs/dbraw/zinc/10/47/15/730104715.db2.gz JOEXZRLRDSDRQE-NCASIDJTSA-N 2 0 348.447 -0.840 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001026045542 730117956 /nfs/dbraw/zinc/11/79/56/730117956.db2.gz GMHQWUKEMPGQED-CKENWRIRSA-N 2 0 348.447 -0.621 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001026045544 730117993 /nfs/dbraw/zinc/11/79/93/730117993.db2.gz GMHQWUKEMPGQED-RBUCKAEESA-N 2 0 348.447 -0.621 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CCC(NC(=O)C[NH+]3CCCC3)CC2)nc1=O ZINC001026606747 730152611 /nfs/dbraw/zinc/15/26/11/730152611.db2.gz RRXXCDIRAOAGMA-UHFFFAOYSA-N 2 0 336.440 -0.279 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001026847879 730163213 /nfs/dbraw/zinc/16/32/13/730163213.db2.gz RACHXMZQMJHBET-TZMCWYRMSA-N 2 0 333.440 -0.510 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nc1=O ZINC001026921794 730170568 /nfs/dbraw/zinc/17/05/68/730170568.db2.gz XGNMCWGOJPNPAX-OLZOCXBDSA-N 2 0 336.440 -0.469 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnnn3C3CC3)C2)C1 ZINC001027214953 730199793 /nfs/dbraw/zinc/19/97/93/730199793.db2.gz AUGSNHQPGWAGJG-STQMWFEESA-N 2 0 333.440 -0.102 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCN1C(=O)CNC1=O ZINC001027790315 730238720 /nfs/dbraw/zinc/23/87/20/730238720.db2.gz QIMYLSFSWQKTDI-STQMWFEESA-N 2 0 337.424 -0.787 20 0 EBADRP COc1nccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3CN(C)CCO3)C2)n1 ZINC001028465090 730297210 /nfs/dbraw/zinc/29/72/10/730297210.db2.gz IKHQKEPDBJMDCV-ZFWWWQNUSA-N 2 0 349.435 -0.246 20 0 EBADRP O=C(NC[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001028933374 730372202 /nfs/dbraw/zinc/37/22/02/730372202.db2.gz OYFNNXXJMVKRNB-CHWSQXEVSA-N 2 0 334.420 -0.675 20 0 EBADRP Cn1[nH]c(C[N@H+](C)C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)nc1=O ZINC001029902673 730522210 /nfs/dbraw/zinc/52/22/10/730522210.db2.gz UUBIDVPUVQBPQZ-QWHCGFSZSA-N 2 0 336.440 -0.660 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001030025728 730536911 /nfs/dbraw/zinc/53/69/11/730536911.db2.gz UIWJDBBFUUWLKP-OWCLPIDISA-N 2 0 335.452 -0.081 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](C[C@H](O)CN2CCCC2=O)C1 ZINC001031584693 730737586 /nfs/dbraw/zinc/73/75/86/730737586.db2.gz HUYSAUFWHLGPJG-LSDHHAIUSA-N 2 0 338.452 -0.888 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001031685907 730750095 /nfs/dbraw/zinc/75/00/95/730750095.db2.gz GWXSTAFHAALBSN-LSDHHAIUSA-N 2 0 337.468 -0.210 20 0 EBADRP Cn1cc(CC[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)cn1 ZINC001031688352 730750554 /nfs/dbraw/zinc/75/05/54/730750554.db2.gz DGPRQQWMDCLWGC-IRXDYDNUSA-N 2 0 347.463 -0.126 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCN2CCNC2=O)C1 ZINC001032205519 730829367 /nfs/dbraw/zinc/82/93/67/730829367.db2.gz AVZRDZCYZOJJDP-HNNXBMFYSA-N 2 0 337.468 -0.066 20 0 EBADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001033596400 731045357 /nfs/dbraw/zinc/04/53/57/731045357.db2.gz ZNDSHGXUPJEWGU-ZDUSSCGKSA-N 2 0 349.435 -0.833 20 0 EBADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001034040467 731099763 /nfs/dbraw/zinc/09/97/63/731099763.db2.gz UDKZNZSFWVIQLI-HUUCEWRRSA-N 2 0 337.468 -0.114 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nnnn2C)CC1 ZINC001034738892 731154768 /nfs/dbraw/zinc/15/47/68/731154768.db2.gz XJTTYAGGSLDGCO-XUXIUFHCSA-N 2 0 335.456 -0.075 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)CCc2ncc[nH]2)C1 ZINC001039591720 731456009 /nfs/dbraw/zinc/45/60/09/731456009.db2.gz WVHBOYHWROSVJN-GUYCJALGSA-N 2 0 349.435 -0.484 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001039763777 731526352 /nfs/dbraw/zinc/52/63/52/731526352.db2.gz KEPKQPMBSOPJMU-YOEHRIQHSA-N 2 0 338.452 -0.744 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040101101 731599261 /nfs/dbraw/zinc/59/92/61/731599261.db2.gz SBGUWEKGSUIJPW-MRXNPFEDSA-N 2 0 328.457 -0.642 20 0 EBADRP CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1)[NH+](C)C ZINC001040203393 731642857 /nfs/dbraw/zinc/64/28/57/731642857.db2.gz XYMLSFNROHEUJP-PBHICJAKSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001040349969 731706449 /nfs/dbraw/zinc/70/64/49/731706449.db2.gz AHGCOEQRDMKFQI-WMLDXEAASA-N 2 0 340.468 -0.641 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001040447731 731737413 /nfs/dbraw/zinc/73/74/13/731737413.db2.gz SQVWOWPXQDEZDP-YOEHRIQHSA-N 2 0 342.484 -0.252 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)CC)C1 ZINC001040448594 731737910 /nfs/dbraw/zinc/73/79/10/731737910.db2.gz AVKIYHOMPAIQJR-QGZVFWFLSA-N 2 0 342.484 -0.250 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001040449846 731738459 /nfs/dbraw/zinc/73/84/59/731738459.db2.gz MSAHORAJWXDNTA-KRWDZBQOSA-N 2 0 342.484 -0.252 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001061426442 738537206 /nfs/dbraw/zinc/53/72/06/738537206.db2.gz PBTACNZFDZBXTK-KGLIPLIRSA-N 2 0 326.441 -0.624 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1)[NH+](C)C ZINC001040718472 731846173 /nfs/dbraw/zinc/84/61/73/731846173.db2.gz LILJMHMSEQHDTM-RHSMWYFYSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040719845 731846657 /nfs/dbraw/zinc/84/66/57/731846657.db2.gz YGYDHZDLDVXXLJ-KRWDZBQOSA-N 2 0 342.484 -0.250 20 0 EBADRP CC(C)[C@H](C(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001040797615 731879262 /nfs/dbraw/zinc/87/92/62/731879262.db2.gz KLBNJBURWWHJQO-WBVHZDCISA-N 2 0 342.484 -0.396 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001040801270 731880996 /nfs/dbraw/zinc/88/09/96/731880996.db2.gz PAJYPZNNBKNNDP-RHSMWYFYSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001040801781 731881422 /nfs/dbraw/zinc/88/14/22/731881422.db2.gz UUZSXVDIRRNJFH-QGZVFWFLSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001040900986 731910583 /nfs/dbraw/zinc/91/05/83/731910583.db2.gz DFHWJNFSBARJML-QGZVFWFLSA-N 2 0 340.468 -0.496 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001040903005 731912105 /nfs/dbraw/zinc/91/21/05/731912105.db2.gz WFCSYUUEDBIMHT-RHSMWYFYSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@H](C(=O)N1CC[C@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1)[NH+](C)C ZINC001040937531 731930506 /nfs/dbraw/zinc/93/05/06/731930506.db2.gz YUIBJUMEQWBMOW-VBQJREDUSA-N 2 0 342.484 -0.254 20 0 EBADRP CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC001042096793 732305724 /nfs/dbraw/zinc/30/57/24/732305724.db2.gz BNYFADLNZMTBNX-UONOGXRCSA-N 2 0 340.468 -0.644 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001042097476 732307116 /nfs/dbraw/zinc/30/71/16/732307116.db2.gz IBVOKOBJYMDGHZ-ZDUSSCGKSA-N 2 0 326.441 -0.888 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001042103697 732313880 /nfs/dbraw/zinc/31/38/80/732313880.db2.gz HEYIWMQRTXZRNF-UONOGXRCSA-N 2 0 338.452 -0.746 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001042104328 732316164 /nfs/dbraw/zinc/31/61/64/732316164.db2.gz NRDHNCAIIADKMO-CYBMUJFWSA-N 2 0 326.441 -0.888 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@H]3CC[N@H+](CCO)[C@H]3C2)cn1 ZINC001042266386 732381878 /nfs/dbraw/zinc/38/18/78/732381878.db2.gz MEGQGZODYDZIHA-ZBFHGGJFSA-N 2 0 335.452 -0.027 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001043118389 732767967 /nfs/dbraw/zinc/76/79/67/732767967.db2.gz GSFUXEONHSXMMY-CYBMUJFWSA-N 2 0 340.468 -0.642 20 0 EBADRP C[N@H+](CC(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1)C1CCC1 ZINC001043126747 732775044 /nfs/dbraw/zinc/77/50/44/732775044.db2.gz COOJZVAPJARBQA-UHFFFAOYSA-N 2 0 338.452 -0.744 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043126717 732775239 /nfs/dbraw/zinc/77/52/39/732775239.db2.gz BVEWAKOUNHGAAI-AWEZNQCLSA-N 2 0 338.452 -0.744 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1)C1CC1 ZINC001043127667 732775677 /nfs/dbraw/zinc/77/56/77/732775677.db2.gz MEGQBSNFCICZLG-HNNXBMFYSA-N 2 0 338.452 -0.888 20 0 EBADRP CC[C@@H](C(=O)N1CC(O)(CNC(=O)C[NH+](CC)CC)C1)[NH+](C)C ZINC001043158438 732795269 /nfs/dbraw/zinc/79/52/69/732795269.db2.gz YHQCKYAVFWGRNE-ZDUSSCGKSA-N 2 0 328.457 -0.642 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001043430194 732934641 /nfs/dbraw/zinc/93/46/41/732934641.db2.gz ITMVHOGXYVDXNA-UHFFFAOYSA-N 2 0 328.457 -0.642 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001043432390 732937044 /nfs/dbraw/zinc/93/70/44/732937044.db2.gz YUCRTNSTEQZSCI-HNNXBMFYSA-N 2 0 340.468 -0.644 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001043464869 732956459 /nfs/dbraw/zinc/95/64/59/732956459.db2.gz QDFPYACONFIWSS-OAHLLOKOSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001043613696 733024293 /nfs/dbraw/zinc/02/42/93/733024293.db2.gz WAPQVXTVOPVRRT-UHFFFAOYSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[C@H](C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1)[NH+](C)C ZINC001043679385 733056422 /nfs/dbraw/zinc/05/64/22/733056422.db2.gz ZSKWDYJGTHOIFA-UONOGXRCSA-N 2 0 340.468 -0.500 20 0 EBADRP CC[C@H](C(=O)NCC1(O)CN(C(=O)CCCC[NH+](C)C)C1)[NH+](C)C ZINC001043679208 733056650 /nfs/dbraw/zinc/05/66/50/733056650.db2.gz WLDLFDFKPMSYDR-CQSZACIVSA-N 2 0 342.484 -0.252 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001043766533 733102159 /nfs/dbraw/zinc/10/21/59/733102159.db2.gz LNTUPBUVZKVIAG-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001043771414 733105466 /nfs/dbraw/zinc/10/54/66/733105466.db2.gz VMAWHPFZMDUORD-KBPBESRZSA-N 2 0 338.452 -0.746 20 0 EBADRP CC[C@H](C(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC001061679775 738691184 /nfs/dbraw/zinc/69/11/84/738691184.db2.gz YXVJOZXTGWYJCF-RRFJBIMHSA-N 2 0 340.468 -0.236 20 0 EBADRP CC[C@@H](C(=O)NCC1(O)CN(C(=O)C[N@H+](C)C2CCC2)C1)[NH+](C)C ZINC001044043975 733260031 /nfs/dbraw/zinc/26/00/31/733260031.db2.gz IVRFBNTTXMCWRT-AWEZNQCLSA-N 2 0 340.468 -0.500 20 0 EBADRP CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1)[NH+](C)C ZINC001044291280 733360676 /nfs/dbraw/zinc/36/06/76/733360676.db2.gz PMTCVZNGKYPJLD-OAHLLOKOSA-N 2 0 340.468 -0.642 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CCC[C@H]2C[NH2+][C@H]2CCNC2=O)cn1 ZINC001045236617 733631304 /nfs/dbraw/zinc/63/13/04/733631304.db2.gz OZTGXMMKTUVCMB-GJZGRUSLSA-N 2 0 348.451 -0.473 20 0 EBADRP CC[C@@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001045398301 733686531 /nfs/dbraw/zinc/68/65/31/733686531.db2.gz ZZAMUNGMYUASHV-STQMWFEESA-N 2 0 326.441 -0.448 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045412895 733689485 /nfs/dbraw/zinc/68/94/85/733689485.db2.gz IDZWPLBFMRGSNG-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001045417706 733691302 /nfs/dbraw/zinc/69/13/02/733691302.db2.gz LMDGSWKKAUOUKK-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046028100 733814021 /nfs/dbraw/zinc/81/40/21/733814021.db2.gz XZESAQOSQVLWID-IAGOWNOFSA-N 2 0 336.480 -0.461 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCN([C@@H]3CC[NH+](CCCO)C3)CC2)C1 ZINC001046076629 733850779 /nfs/dbraw/zinc/85/07/79/733850779.db2.gz NVIKUODFTKJHCP-DLBZAZTESA-N 2 0 338.496 -0.071 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@H](N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001046076226 733850813 /nfs/dbraw/zinc/85/08/13/733850813.db2.gz KXBCJMURLKFGQI-HNNXBMFYSA-N 2 0 349.479 -0.953 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCN([C@@H]3CC[NH+](CCCO)C3)CC2)C1 ZINC001046076631 733850970 /nfs/dbraw/zinc/85/09/70/733850970.db2.gz NVIKUODFTKJHCP-IAGOWNOFSA-N 2 0 338.496 -0.071 20 0 EBADRP Cc1nc[nH]c1CC(=O)N1CCN([C@@H]2CC[N@@H+](C[C@@H](C)O)C2)CC1 ZINC001046081821 733854067 /nfs/dbraw/zinc/85/40/67/733854067.db2.gz PFIXWLRCRBWDRZ-UKRRQHHQSA-N 2 0 335.452 -0.140 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001046530682 733955289 /nfs/dbraw/zinc/95/52/89/733955289.db2.gz AGPVOEZZLZTCHL-UHFFFAOYSA-N 2 0 326.441 -0.887 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)C1 ZINC001046531947 733956208 /nfs/dbraw/zinc/95/62/08/733956208.db2.gz XSSBBPFQVQSBKE-UONOGXRCSA-N 2 0 340.468 -0.785 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1 ZINC001046690746 734006021 /nfs/dbraw/zinc/00/60/21/734006021.db2.gz DJJIXLQHJOUSBX-KGLIPLIRSA-N 2 0 340.468 -0.785 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)C1CC[NH+](C)CC1 ZINC001061860729 738790641 /nfs/dbraw/zinc/79/06/41/738790641.db2.gz BIYNRKWCRDRWNE-OAHLLOKOSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001047424237 734188337 /nfs/dbraw/zinc/18/83/37/734188337.db2.gz DFCSPFAIWNZKTG-KKUMJFAQSA-N 2 0 325.453 -0.253 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001061860276 738790158 /nfs/dbraw/zinc/79/01/58/738790158.db2.gz VPVQPJMOUCQHGW-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP CN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001047463913 734207863 /nfs/dbraw/zinc/20/78/63/734207863.db2.gz VTFBVGJDCIOUAV-WHJSIAKGSA-N 2 0 341.427 -0.287 20 0 EBADRP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001047472923 734211704 /nfs/dbraw/zinc/21/17/04/734211704.db2.gz MZOCRMLESMWIHS-JYJNAYRXSA-N 2 0 325.453 -0.253 20 0 EBADRP CN(C(=O)C[NH+]1CCCC1)[C@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O ZINC001047627611 734289731 /nfs/dbraw/zinc/28/97/31/734289731.db2.gz RVBQVEJREYCNIL-KKUMJFAQSA-N 2 0 348.451 -0.635 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2COCCN2C(=O)CC[NH+](C)C)C1 ZINC001061907594 738810965 /nfs/dbraw/zinc/81/09/65/738810965.db2.gz KJWYWOIIJVRKHQ-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048443361 734419418 /nfs/dbraw/zinc/41/94/18/734419418.db2.gz YYHVOVCJGDUOKW-STQMWFEESA-N 2 0 348.451 -0.612 20 0 EBADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001048558835 734444602 /nfs/dbraw/zinc/44/46/02/734444602.db2.gz YJXJWPVCFINVHJ-IHRRRGAJSA-N 2 0 326.441 -0.938 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@@H]2C1 ZINC001048724394 734484179 /nfs/dbraw/zinc/48/41/79/734484179.db2.gz YXJVNZWJIOGHJK-ZNMIVQPWSA-N 2 0 348.447 -0.380 20 0 EBADRP CN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)C[C@H]3C2)C1=O ZINC001048823448 734525499 /nfs/dbraw/zinc/52/54/99/734525499.db2.gz DISPBLAHFAOIEO-TWMKSMIVSA-N 2 0 346.475 -0.051 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2C1)C1CC1 ZINC001048863822 734543934 /nfs/dbraw/zinc/54/39/34/734543934.db2.gz MEPHSPDGYTVNIB-OWCLPIDISA-N 2 0 349.479 -0.258 20 0 EBADRP CC[NH+](CC)CC(=O)N(C)[C@H]1CN(C(=O)C[NH+](CC)CC)C[C@@H]1O ZINC001048880827 734555718 /nfs/dbraw/zinc/55/57/18/734555718.db2.gz RTMAPCIMYMLMCC-GJZGRUSLSA-N 2 0 342.484 -0.300 20 0 EBADRP CC[NH+](CC)CC(=O)N(C)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001048880778 734555753 /nfs/dbraw/zinc/55/57/53/734555753.db2.gz PMRJKKIOVMUZOL-KBPBESRZSA-N 2 0 328.457 -0.690 20 0 EBADRP O=C(N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2C1)C12CCC[NH+]1CCC2 ZINC001048917442 734569995 /nfs/dbraw/zinc/56/99/95/734569995.db2.gz GHTJUNAWIBATHE-QLFBSQMISA-N 2 0 332.448 -0.107 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001048976786 734593963 /nfs/dbraw/zinc/59/39/63/734593963.db2.gz GRLJWKSXMXEWPF-GJZGRUSLSA-N 2 0 340.468 -0.548 20 0 EBADRP C[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC4CC4)C[C@@H]3C2)CC1 ZINC001049025816 734618832 /nfs/dbraw/zinc/61/88/32/734618832.db2.gz XTDBCCGCIQRVCY-GASCZTMLSA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+]([C@@H]4CCCNC4=O)C[C@@H]3C2)C1 ZINC001049059205 734630905 /nfs/dbraw/zinc/63/09/05/734630905.db2.gz NRIPFYUICNWBGC-CAOSSQGBSA-N 2 0 334.464 -0.003 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2C1)[NH+](C)C ZINC001049064262 734633559 /nfs/dbraw/zinc/63/35/59/734633559.db2.gz BCZOWUVMHUVDAK-ZNMIVQPWSA-N 2 0 337.468 -0.258 20 0 EBADRP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]2C1 ZINC001049108357 734646842 /nfs/dbraw/zinc/64/68/42/734646842.db2.gz HAJCPFOTPQNGNS-GASCZTMLSA-N 2 0 348.451 -0.806 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(N)=O)C[C@@H]2C1 ZINC001049216085 734688072 /nfs/dbraw/zinc/68/80/72/734688072.db2.gz SHSPMYRPWTXHSN-TUVASFSCSA-N 2 0 338.452 -0.781 20 0 EBADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001049216368 734688078 /nfs/dbraw/zinc/68/80/78/734688078.db2.gz BOEYABOFUMMWMI-OKILXGFUSA-N 2 0 349.435 -0.976 20 0 EBADRP CC[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCC[NH+](C)C)C1)[NH+](C)C ZINC001049348880 734712992 /nfs/dbraw/zinc/71/29/92/734712992.db2.gz DBOSUHPWPAHSBZ-ILXRZTDVSA-N 2 0 342.484 -0.302 20 0 EBADRP CN(C(=O)CCC[NH+](C)C)[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC001049345555 734713114 /nfs/dbraw/zinc/71/31/14/734713114.db2.gz YWGFQSGCFDFBSV-KKUMJFAQSA-N 2 0 340.468 -0.548 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001049349274 734713393 /nfs/dbraw/zinc/71/33/93/734713393.db2.gz NDJYRXRRBANMKJ-GJZGRUSLSA-N 2 0 342.484 -0.300 20 0 EBADRP CN(C(=O)CCC[NH+](C)C)[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001049349265 734713472 /nfs/dbraw/zinc/71/34/72/734713472.db2.gz MRSHMTZKTVRQLH-GJZGRUSLSA-N 2 0 342.484 -0.300 20 0 EBADRP CN(C(=O)CCC[NH+](C)C)[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC001049349359 734713520 /nfs/dbraw/zinc/71/35/20/734713520.db2.gz QHDDQCMNKZTXGC-KKUMJFAQSA-N 2 0 340.468 -0.690 20 0 EBADRP CC[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[N@H+](C)CC)C1)[NH+](C)C ZINC001049542106 734749575 /nfs/dbraw/zinc/74/95/75/734749575.db2.gz FZGPODVJPOIGTD-KKUMJFAQSA-N 2 0 342.484 -0.302 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC3(C2)CC[NH+](CCO)CC3)n1 ZINC001050525605 734918714 /nfs/dbraw/zinc/91/87/14/734918714.db2.gz ZVIAAQHWTGYLRE-UHFFFAOYSA-N 2 0 335.452 -0.025 20 0 EBADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1[NH2+]CCN1CCNC1=O ZINC001054734678 736236544 /nfs/dbraw/zinc/23/65/44/736236544.db2.gz CNKHXIOKAOCIIN-HIFRSBDPSA-N 2 0 337.468 -0.068 20 0 EBADRP C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054854087 736256354 /nfs/dbraw/zinc/25/63/54/736256354.db2.gz OGTMCHRTPKOXKE-STQMWFEESA-N 2 0 348.451 -0.327 20 0 EBADRP COCCC(=O)NCC[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001055477166 736350024 /nfs/dbraw/zinc/35/00/24/736350024.db2.gz HTTDHYNOZIGYKR-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP COCC(=O)NCC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001055495504 736357736 /nfs/dbraw/zinc/35/77/36/736357736.db2.gz WWFUPTWYVYBBBW-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CCOC2)CC1 ZINC001055539941 736375075 /nfs/dbraw/zinc/37/50/75/736375075.db2.gz SDWSNVPSGWROQU-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP COC[C@@H](C)C(=O)NCC[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001055544354 736376638 /nfs/dbraw/zinc/37/66/38/736376638.db2.gz RXSHMEAZGRIYSO-CQSZACIVSA-N 2 0 342.484 -0.083 20 0 EBADRP COCCC(=O)NC1CC[NH+](CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001055578423 736391571 /nfs/dbraw/zinc/39/15/71/736391571.db2.gz NHFHRKYSFYJCJS-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP COCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055577826 736391775 /nfs/dbraw/zinc/39/17/75/736391775.db2.gz BXTWDZFMZCYRQH-CYBMUJFWSA-N 2 0 326.441 -0.719 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)c3cn[nH]c3)CC2)C1 ZINC001055578666 736392019 /nfs/dbraw/zinc/39/20/19/736392019.db2.gz SSPCVMZXRWWQDO-CYBMUJFWSA-N 2 0 348.451 -0.328 20 0 EBADRP COCCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055578665 736392146 /nfs/dbraw/zinc/39/21/46/736392146.db2.gz SRPOWVUYNQLNAQ-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP COCC(=O)NC1CC[NH+](CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001055626546 736411918 /nfs/dbraw/zinc/41/19/18/736411918.db2.gz XSJQCKKBTKJQDA-UHFFFAOYSA-N 2 0 340.468 -0.329 20 0 EBADRP CCOCC(=O)NC1CC[NH+](CCNC(=O)CC[NH+](C)C)CC1 ZINC001055633104 736417141 /nfs/dbraw/zinc/41/71/41/736417141.db2.gz ARQBPGGRKAIYKG-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001056103378 736642247 /nfs/dbraw/zinc/64/22/47/736642247.db2.gz CFWKOMHWHWYUNI-PBHICJAKSA-N 2 0 340.468 -0.498 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[NH+]1C ZINC001057212361 737084441 /nfs/dbraw/zinc/08/44/41/737084441.db2.gz MRQFXBXSPKDKCB-HNNXBMFYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)CCC(=O)NCCN(CCO)C(=O)CC1CC[NH+](C)CC1 ZINC001057573513 737338313 /nfs/dbraw/zinc/33/83/13/737338313.db2.gz NUTCLKZTLXTHJU-UHFFFAOYSA-N 2 0 342.484 -0.393 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001057587837 737346787 /nfs/dbraw/zinc/34/67/87/737346787.db2.gz MVVKMGJJPWAKGX-HNNXBMFYSA-N 2 0 342.484 -0.252 20 0 EBADRP C[NH+]1CC[C@H](C(=O)N(CCO)CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001057632227 737370410 /nfs/dbraw/zinc/37/04/10/737370410.db2.gz JZGINBLVYCFAMI-GJZGRUSLSA-N 2 0 340.468 -0.783 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001057636711 737377055 /nfs/dbraw/zinc/37/70/55/737377055.db2.gz XIUYLPQHSITRCA-LSDHHAIUSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001057876330 737495611 /nfs/dbraw/zinc/49/56/11/737495611.db2.gz HLVWKLLPIXGWHT-LSDHHAIUSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[C@H](C(=O)N(CCO)CCNC(=O)C1([NH+](C)C)CCC1)[NH+](C)C ZINC001057975069 737572183 /nfs/dbraw/zinc/57/21/83/737572183.db2.gz DTWYKIRNKBCUFT-CQSZACIVSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[C@H](C(=O)NCCN(CCO)C(=O)C1CC[NH+](C)CC1)[NH+](C)C ZINC001057994378 737582363 /nfs/dbraw/zinc/58/23/63/737582363.db2.gz VVQQBNYHYHFHSV-OAHLLOKOSA-N 2 0 342.484 -0.395 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1 ZINC001058038601 737601218 /nfs/dbraw/zinc/60/12/18/737601218.db2.gz AEKDLNSNMOBIJV-OAHLLOKOSA-N 2 0 340.468 -0.496 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H]1CCCC[NH+]1C ZINC001058039273 737601818 /nfs/dbraw/zinc/60/18/18/737601818.db2.gz VFKHTWVODHODIH-HNNXBMFYSA-N 2 0 342.484 -0.252 20 0 EBADRP C[NH+](C)CCCCC(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001058236835 737726921 /nfs/dbraw/zinc/72/69/21/737726921.db2.gz HMEWPHOKLZMXTG-OAHLLOKOSA-N 2 0 342.484 -0.250 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001058255092 737736886 /nfs/dbraw/zinc/73/68/86/737736886.db2.gz BNURSASLCQTQLU-CQSZACIVSA-N 2 0 328.457 -0.783 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001058255404 737737496 /nfs/dbraw/zinc/73/74/96/737737496.db2.gz OOKVOLDQEJIMNN-HUUCEWRRSA-N 2 0 342.484 -0.395 20 0 EBADRP C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058607619 737920095 /nfs/dbraw/zinc/92/00/95/737920095.db2.gz IUQRCLXQKBWJFE-UHFFFAOYSA-N 2 0 330.473 -0.393 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058607899 737920558 /nfs/dbraw/zinc/92/05/58/737920558.db2.gz SMCPFJODSXEGSH-OAHLLOKOSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058611106 737921282 /nfs/dbraw/zinc/92/12/82/737921282.db2.gz YUPFLKPQHYZQRP-UHFFFAOYSA-N 2 0 330.473 -0.393 20 0 EBADRP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001058707781 737959540 /nfs/dbraw/zinc/95/95/40/737959540.db2.gz NXQAYVNOFVBTOX-AWEZNQCLSA-N 2 0 328.457 -0.783 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)CC[N@@H+]1C ZINC001058709159 737959838 /nfs/dbraw/zinc/95/98/38/737959838.db2.gz JPQLKYSAUDYKCY-GJZGRUSLSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001058815047 738002706 /nfs/dbraw/zinc/00/27/06/738002706.db2.gz JHRUWSRLANGTHL-INIZCTEOSA-N 2 0 344.500 -0.149 20 0 EBADRP CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)C[NH+]1CCC[C@@H]1C ZINC001058815909 738003478 /nfs/dbraw/zinc/00/34/78/738003478.db2.gz ABRGSRXJRGLIJN-HNNXBMFYSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[NH+](C)CCC(=O)N(CCO)CCNC(=O)CC[N@@H+](C)CC ZINC001058816322 738004076 /nfs/dbraw/zinc/00/40/76/738004076.db2.gz RPHMDEDZDYVRRG-UHFFFAOYSA-N 2 0 330.473 -0.393 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1 ZINC001058845747 738026498 /nfs/dbraw/zinc/02/64/98/738026498.db2.gz VQCUBGOXMHCKNK-HNNXBMFYSA-N 2 0 340.468 -0.496 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001064977208 739455299 /nfs/dbraw/zinc/45/52/99/739455299.db2.gz CQTGYORVDAISAN-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001064978690 739457423 /nfs/dbraw/zinc/45/74/23/739457423.db2.gz XCJKYHZIYFCOLA-CABCVRRESA-N 2 0 338.452 -0.480 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001065169062 739573787 /nfs/dbraw/zinc/57/37/87/739573787.db2.gz HCZQVXMFFPDOOZ-KGLIPLIRSA-N 2 0 326.441 -0.767 20 0 EBADRP CC[C@@H](C(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1)[NH+](C)C ZINC001065171827 739577210 /nfs/dbraw/zinc/57/72/10/739577210.db2.gz MKBSDEIWHCGCFL-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065172392 739578552 /nfs/dbraw/zinc/57/85/52/739578552.db2.gz YJAMCAZOURCGNH-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001065254406 739614867 /nfs/dbraw/zinc/61/48/67/739614867.db2.gz UVGWITFJQLKWAL-HUUCEWRRSA-N 2 0 340.468 -0.236 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001065611263 739798622 /nfs/dbraw/zinc/79/86/22/739798622.db2.gz BGQOXPFJSNGFNK-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001068456484 740331829 /nfs/dbraw/zinc/33/18/29/740331829.db2.gz RJICBBWLVLHADP-UHFFFAOYSA-N 2 0 338.452 -0.526 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069015268 740524021 /nfs/dbraw/zinc/52/40/21/740524021.db2.gz PTVZJSDCUMNAJI-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001069014944 740524134 /nfs/dbraw/zinc/52/41/34/740524134.db2.gz NEUQTWKESFVZQA-ZIAGYGMSSA-N 2 0 338.452 -0.624 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001069014937 740524250 /nfs/dbraw/zinc/52/42/50/740524250.db2.gz NEUQTWKESFVZQA-KGLIPLIRSA-N 2 0 338.452 -0.624 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070191652 740741194 /nfs/dbraw/zinc/74/11/94/740741194.db2.gz LFJDCNGKCQADMH-ILXRZTDVSA-N 2 0 336.440 -0.515 20 0 EBADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1n1ccnn1 ZINC001070226192 740758212 /nfs/dbraw/zinc/75/82/12/740758212.db2.gz UHCKBXUJGUIYOR-KFWWJZLASA-N 2 0 348.451 -0.371 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001070535016 740857435 /nfs/dbraw/zinc/85/74/35/740857435.db2.gz ZTGOJQDXTDVCBH-VNHYZAJKSA-N 2 0 348.451 -0.869 20 0 EBADRP Cn1cncc1[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CC(N)=O ZINC001070655535 740911107 /nfs/dbraw/zinc/91/11/07/740911107.db2.gz QIIASPQIFHQVHP-IOASZLSFSA-N 2 0 348.451 -0.870 20 0 EBADRP Cn1cncc1[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCO ZINC001070710600 740924250 /nfs/dbraw/zinc/92/42/50/740924250.db2.gz IWCJMUXLVFJATF-RRFJBIMHSA-N 2 0 335.452 -0.362 20 0 EBADRP COCCN1CCNC(=O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001070975143 741010374 /nfs/dbraw/zinc/01/03/74/741010374.db2.gz FWYLVBNZSYWEAI-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1NC(=O)COCC[NH+](C)C ZINC001072135671 741316540 /nfs/dbraw/zinc/31/65/40/741316540.db2.gz LUECGZQUUPAXNK-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NC(=O)COCC[NH+](C)C ZINC001072624002 741445399 /nfs/dbraw/zinc/44/53/99/741445399.db2.gz HPSWWQAUNUCVEG-CABCVRRESA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+]([C@@H]2CCC(=O)NC2=O)C3)CC[N@@H+]1C ZINC001072752165 741473119 /nfs/dbraw/zinc/47/31/19/741473119.db2.gz XPJQDLFHAOCEMH-MGPQQGTHSA-N 2 0 348.447 -0.334 20 0 EBADRP CC[C@H](C(=O)N1CC2(C1)CC[N@H+](CCN1CCNC1=O)C2)[NH+](C)C ZINC001072850985 741503305 /nfs/dbraw/zinc/50/33/05/741503305.db2.gz GXEWEGAPJYHPPW-CQSZACIVSA-N 2 0 337.468 -0.114 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CCO)CCCO2)C1 ZINC001073740099 741728509 /nfs/dbraw/zinc/72/85/09/741728509.db2.gz BPHNWKXPFIDURQ-CABCVRRESA-N 2 0 329.441 -0.705 20 0 EBADRP COCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073740055 741728789 /nfs/dbraw/zinc/72/87/89/741728789.db2.gz BDQFFWQXSLOBRZ-HZPDHXFCSA-N 2 0 343.468 -0.051 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001074562817 741999245 /nfs/dbraw/zinc/99/92/45/741999245.db2.gz KGADWWOCYFEJEK-KKUMJFAQSA-N 2 0 338.452 -0.482 20 0 EBADRP C[NH+](C)CCC(=O)NCC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001074592957 742015864 /nfs/dbraw/zinc/01/58/64/742015864.db2.gz BTLQSAUPQLDAIS-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001074713178 742083687 /nfs/dbraw/zinc/08/36/87/742083687.db2.gz LVUPSTJDIPWDQR-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP O=C(N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001076467259 742477243 /nfs/dbraw/zinc/47/72/43/742477243.db2.gz HCJHXIYTIBJHOA-LSDHHAIUSA-N 2 0 347.463 -0.360 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001076569525 742498663 /nfs/dbraw/zinc/49/86/63/742498663.db2.gz ZLXFFXBKHSFMRS-SOUVJXGZSA-N 2 0 348.447 -0.380 20 0 EBADRP C[NH+](C)CCc1ccccc1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001077443934 742979023 /nfs/dbraw/zinc/97/90/23/742979023.db2.gz CTHQLPCQBZFHRA-IAGOWNOFSA-N 2 0 335.448 -0.052 20 0 EBADRP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001078005833 743409071 /nfs/dbraw/zinc/40/90/71/743409071.db2.gz KLSHINXRJUABID-USXIJHARSA-N 2 0 349.479 -0.051 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CO)cc3)C[C@H]2O)C1 ZINC001078174382 743515929 /nfs/dbraw/zinc/51/59/29/743515929.db2.gz JSDHRGRBKXHXJG-BRWVUGGUSA-N 2 0 333.432 -0.208 20 0 EBADRP Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001078498318 743680056 /nfs/dbraw/zinc/68/00/56/743680056.db2.gz LSDXHHRNAYMEHP-HNNXBMFYSA-N 2 0 348.451 -0.382 20 0 EBADRP CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)C[NH+]3CCCC3)CCCO2)C1=O ZINC001078508743 743685291 /nfs/dbraw/zinc/68/52/91/743685291.db2.gz XESGQKXVEPPUKK-GJZGRUSLSA-N 2 0 338.452 -0.480 20 0 EBADRP C[N@H+](CCN1C(=O)CCC1=O)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980410123 805884150 /nfs/dbraw/zinc/88/41/50/805884150.db2.gz YUQPWLPCGQAWQN-AWEZNQCLSA-N 2 0 336.436 -0.236 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2CCC[C@H](NC(=O)C[NH+]3CCCC3)C2)nc1=O ZINC000981528236 806192437 /nfs/dbraw/zinc/19/24/37/806192437.db2.gz PCHSRMKVFXOVOH-STQMWFEESA-N 2 0 336.440 -0.279 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C ZINC000976869876 803922453 /nfs/dbraw/zinc/92/24/53/803922453.db2.gz MVFNOQNLYOFTAY-SUJAAXHWSA-N 2 0 346.475 -0.005 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC000976919746 803958580 /nfs/dbraw/zinc/95/85/80/803958580.db2.gz BYBJYPPHFKUFMF-CLLBMXBRSA-N 2 0 346.475 -0.003 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]21 ZINC000977197500 804205343 /nfs/dbraw/zinc/20/53/43/804205343.db2.gz SUOFIQZFFARBST-NPCUJANDSA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)C[C@H]32)C1 ZINC000977207457 804223559 /nfs/dbraw/zinc/22/35/59/804223559.db2.gz JASSSCGSXWLIMZ-NBFUAULTSA-N 2 0 334.464 -0.147 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3nnnn3C3CC3)C[C@H]21 ZINC000977916638 804562979 /nfs/dbraw/zinc/56/29/79/804562979.db2.gz FMWQNSAJHBFWQU-APIJFGDWSA-N 2 0 345.451 -0.104 20 0 EBADRP CN(C(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1)C1CC1 ZINC000977917632 804563112 /nfs/dbraw/zinc/56/31/12/804563112.db2.gz GPGOYOWLJAHUDH-LVQVYYBASA-N 2 0 334.464 -0.005 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCN3CCCC3=O)C[C@H]21 ZINC000977920031 804565127 /nfs/dbraw/zinc/56/51/27/804565127.db2.gz LDCCXFJCFNKQIH-LVQVYYBASA-N 2 0 334.464 -0.003 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCCO)C[C@H]32)C1 ZINC000978634594 804895661 /nfs/dbraw/zinc/89/56/61/804895661.db2.gz HDPVKMDNYJXMGS-JONQDZQNSA-N 2 0 325.453 -0.228 20 0 EBADRP CN1CC[C@H]([N@H+]2C[C@@H]3[C@@H](CNC(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1=O ZINC000978983465 805071973 /nfs/dbraw/zinc/07/19/73/805071973.db2.gz HZKVERDZELVFOJ-XQLPTFJDSA-N 2 0 332.448 -0.393 20 0 EBADRP O=C(NC[C@@H]1[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000978986773 805072825 /nfs/dbraw/zinc/07/28/25/805072825.db2.gz NZBRQFJKWXOEPQ-PHZGNYQRSA-N 2 0 346.475 -0.001 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC000984805500 807391595 /nfs/dbraw/zinc/39/15/95/807391595.db2.gz SXZVIYNUUKBXKD-XUXIUFHCSA-N 2 0 336.436 -0.240 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CCC([N@H+](C)CC(N)=O)CC2)n1 ZINC000985434668 807511630 /nfs/dbraw/zinc/51/16/30/807511630.db2.gz FFMRHBONRUJEDV-UHFFFAOYSA-N 2 0 336.440 -0.534 20 0 EBADRP C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCOCC2)CN1C(=O)C[NH+]1CCCC1 ZINC000989800076 808598476 /nfs/dbraw/zinc/59/84/76/808598476.db2.gz PQFAMHAQOWGLKN-CABCVRRESA-N 2 0 338.452 -0.480 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC000990513110 808818975 /nfs/dbraw/zinc/81/89/75/808818975.db2.gz ITWLBBIXMQMBRD-HNNXBMFYSA-N 2 0 348.451 -0.521 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCN(C(=O)Cn2ccnc2)C[C@@H]1O ZINC000991491349 809558508 /nfs/dbraw/zinc/55/85/08/809558508.db2.gz YFOQPUODXQCBID-KGLIPLIRSA-N 2 0 335.408 -0.943 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC2=CC[NH+](CCN3C(=O)CNC3=O)CC2)C1 ZINC001001447550 809678408 /nfs/dbraw/zinc/67/84/08/809678408.db2.gz CGFUDSDITDXFOB-AWEZNQCLSA-N 2 0 349.435 -0.762 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001214344010 810240319 /nfs/dbraw/zinc/24/03/19/810240319.db2.gz MGMUUVKRLOHOSV-MCIONIFRSA-N 2 0 346.435 -0.054 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001214855670 810286201 /nfs/dbraw/zinc/28/62/01/810286201.db2.gz KNADKYGKLPKDSX-MPKXVKKWSA-N 2 0 339.440 -0.781 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C ZINC001214855671 810286677 /nfs/dbraw/zinc/28/66/77/810286677.db2.gz KNADKYGKLPKDSX-QKCSRTOESA-N 2 0 339.440 -0.781 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001214952576 810294781 /nfs/dbraw/zinc/29/47/81/810294781.db2.gz BXXWNWVZXNWSBB-RBSFLKMASA-N 2 0 342.484 -0.084 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001215474436 810330685 /nfs/dbraw/zinc/33/06/85/810330685.db2.gz RMXVSPXPBKWOKT-YRGRVCCFSA-N 2 0 341.456 -0.535 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC001215571159 810336356 /nfs/dbraw/zinc/33/63/56/810336356.db2.gz BXXWNWVZXNWSBB-KFWWJZLASA-N 2 0 342.484 -0.084 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCNC(C)=O)C1)[NH+](C)C ZINC001215571445 810336529 /nfs/dbraw/zinc/33/65/29/810336529.db2.gz OJYCQOSPKZEECF-BMFZPTHFSA-N 2 0 342.484 -0.084 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001216002235 810354972 /nfs/dbraw/zinc/35/49/72/810354972.db2.gz PDHOWPJGUXKSEW-CHWSQXEVSA-N 2 0 339.440 -0.684 20 0 EBADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001216382833 810371752 /nfs/dbraw/zinc/37/17/52/810371752.db2.gz DKBQFVLKMSZDKI-MGPQQGTHSA-N 2 0 331.482 -0.191 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001216511559 810375319 /nfs/dbraw/zinc/37/53/19/810375319.db2.gz UDGKSZRKCMLKQP-FRRDWIJNSA-N 2 0 341.456 -0.262 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC001216757895 810385695 /nfs/dbraw/zinc/38/56/95/810385695.db2.gz QAYWZGDGHOHZQK-HZSPNIEDSA-N 2 0 326.441 -0.863 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216757593 810386267 /nfs/dbraw/zinc/38/62/67/810386267.db2.gz DTRFLFXWNIUEFL-JHJVBQTASA-N 2 0 339.440 -0.637 20 0 EBADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1[C@@H]2C[C@H]1C[NH2+]C2 ZINC001218146181 810479071 /nfs/dbraw/zinc/47/90/71/810479071.db2.gz WMLDWJONTPHAIY-JZYVYDRUSA-N 2 0 336.392 -0.253 20 0 EBADRP CCOC(=O)c1c(C)[nH]nc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218512569 810497347 /nfs/dbraw/zinc/49/73/47/810497347.db2.gz NUHOFCPMXZIOPB-LLVKDONJSA-N 2 0 338.412 -0.416 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC001218552042 810501123 /nfs/dbraw/zinc/50/11/23/810501123.db2.gz XMRJXCLWXZRCLL-LBPRGKRZSA-N 2 0 325.438 -0.124 20 0 EBADRP Nc1cn(C(=O)C[C@@H]2COCC[NH2+]2)ccc1=[NH+]CCN1CCOCC1 ZINC001218619433 810510788 /nfs/dbraw/zinc/51/07/88/810510788.db2.gz HMAJPKRQMANUHX-CQSZACIVSA-N 2 0 349.435 -0.678 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640584 810514929 /nfs/dbraw/zinc/51/49/29/810514929.db2.gz KCEXYTKHBOLOKW-HNNXBMFYSA-N 2 0 342.403 -0.348 20 0 EBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)Nc2cnn(C3C[NH2+]C3)c2)COC1(C)C ZINC001218641809 810515422 /nfs/dbraw/zinc/51/54/22/810515422.db2.gz VZALIRRNAGIYNM-CABZTGNLSA-N 2 0 336.396 -0.723 20 0 EBADRP CCOC(=O)c1ncncc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218680733 810520182 /nfs/dbraw/zinc/52/01/82/810520182.db2.gz IFLJPOHYJOYNKP-LLVKDONJSA-N 2 0 336.396 -0.658 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218724898 810523619 /nfs/dbraw/zinc/52/36/19/810523619.db2.gz OTDHNIVKQCZHEL-ZDUSSCGKSA-N 3 0 338.481 -0.033 20 0 EBADRP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001218727173 810524165 /nfs/dbraw/zinc/52/41/65/810524165.db2.gz UUYYHHZWACYQLV-RISCZKNCSA-N 2 0 331.376 -0.761 20 0 EBADRP [NH3+]C1CCN(c2ccc(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)cn2)CC1 ZINC001218723849 810524328 /nfs/dbraw/zinc/52/43/28/810524328.db2.gz GCIJYWSKYRHYEO-AWEZNQCLSA-N 2 0 346.435 -0.184 20 0 EBADRP [NH3+]CCOCCOCC(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218724549 810524435 /nfs/dbraw/zinc/52/44/35/810524435.db2.gz JBCBJLWEMLVRAN-UHFFFAOYSA-N 2 0 337.424 -0.061 20 0 EBADRP COC(=O)c1ccc(OC)nc1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218790341 810530704 /nfs/dbraw/zinc/53/07/04/810530704.db2.gz GWFHNJXCQGKBIC-VIFPVBQESA-N 2 0 328.394 -0.166 20 0 EBADRP C[C@@H](C[NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218778027 810531136 /nfs/dbraw/zinc/53/11/36/810531136.db2.gz GUWIKIRIFUJZNH-IVZWLZJFSA-N 2 0 342.831 -0.775 20 0 EBADRP O=C(Nc1ccc(N2CC[NH+](CCO)CC2)cc1)[C@H]1C[NH2+]CCN1 ZINC001218873577 810538599 /nfs/dbraw/zinc/53/85/99/810538599.db2.gz KUIGXPNNLJLBLZ-MRXNPFEDSA-N 2 0 333.436 -0.699 20 0 EBADRP CNS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c1 ZINC001218901598 810542762 /nfs/dbraw/zinc/54/27/62/810542762.db2.gz KOJLFUXFYBQTQR-CYBMUJFWSA-N 2 0 342.421 -0.434 20 0 EBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(C(C)(C)C[NH3+])cc1 ZINC001218895353 810542887 /nfs/dbraw/zinc/54/28/87/810542887.db2.gz NFEUFVAZRGLFMD-GWCFXTLKSA-N 2 0 349.435 -0.431 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@H]3CCN(C)C3=O)C[C@@H]21 ZINC001218919058 810543777 /nfs/dbraw/zinc/54/37/77/810543777.db2.gz MVSUVPBFVTUTAZ-SOUVJXGZSA-N 2 0 338.452 -0.530 20 0 EBADRP COC(=O)c1c(O)cccc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218987758 810550608 /nfs/dbraw/zinc/55/06/08/810550608.db2.gz NDFXVOGIPZJDTN-LLVKDONJSA-N 2 0 336.392 -0.132 20 0 EBADRP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@H+](CCN3CCNC3=O)C2)CC1 ZINC001015796986 810583709 /nfs/dbraw/zinc/58/37/09/810583709.db2.gz VBGYQBILUADORP-HNNXBMFYSA-N 2 0 337.468 -0.066 20 0 EBADRP C[NH2+][C@@H](CO)C(=O)Nc1cc2c(cc1OC)[C@@]1(CC[NH2+]C1)C(=O)N2 ZINC001219500726 810723615 /nfs/dbraw/zinc/72/36/15/810723615.db2.gz HKEGAFYPTKPIBZ-LRDDRELGSA-N 2 0 334.376 -0.603 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@@]1(N)CC[NH2+]C1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219503361 810725561 /nfs/dbraw/zinc/72/55/61/810725561.db2.gz HUBGIQFCJDCPEW-IAGOWNOFSA-N 2 0 345.403 -0.492 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@@H]1C[C@H]([NH3+])CN1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219504417 810726196 /nfs/dbraw/zinc/72/61/96/810726196.db2.gz TXPWIINFQIAQKF-SIXIKZCJSA-N 2 0 345.403 -0.494 20 0 EBADRP O=C(C[C@H]1CO[C@]2(C1)CCC[NH2+]C2)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617678 810773029 /nfs/dbraw/zinc/77/30/29/810773029.db2.gz OHEWGWXJZWRYCD-BFJAYTPKSA-N 2 0 329.416 -0.286 20 0 EBADRP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643506 810784006 /nfs/dbraw/zinc/78/40/06/810784006.db2.gz WQYGFBLSSQOLPG-OAGGEKHMSA-N 2 0 325.453 -0.084 20 0 EBADRP [NH3+][C@H]1COC[C@H]1NC(=O)[C@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1 ZINC001219720817 810807238 /nfs/dbraw/zinc/80/72/38/810807238.db2.gz RONGSFUXFUXENU-XKQJLSEDSA-N 2 0 343.431 -0.044 20 0 EBADRP [NH3+][C@H]1COC[C@H]1NC(=O)[C@@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001219720825 810807262 /nfs/dbraw/zinc/80/72/62/810807262.db2.gz RYLJSQGVVQNNQH-HRCADAONSA-N 2 0 330.432 -0.450 20 0 EBADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001219737015 810817859 /nfs/dbraw/zinc/81/78/59/810817859.db2.gz MSMSNHVHQBWSJS-UONOGXRCSA-N 2 0 345.447 -0.371 20 0 EBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NCc1nnc2n1CCC[NH2+]C2 ZINC001219748744 810823238 /nfs/dbraw/zinc/82/32/38/810823238.db2.gz ADKKHFSRDSCALI-LBPRGKRZSA-N 2 0 337.428 -0.979 20 0 EBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@]12CCCO[C@@H]1CC[NH2+]C2 ZINC001219749530 810823359 /nfs/dbraw/zinc/82/33/59/810823359.db2.gz ONVDNMQDBZDOLJ-MLGOLLRUSA-N 2 0 334.424 -0.454 20 0 EBADRP O=C(NCC[C@H]1C[NH2+]Cc2cccn2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219787462 810840348 /nfs/dbraw/zinc/84/03/48/810840348.db2.gz DYQBDPVVVDOKRV-HDMKZQKVSA-N 3 0 331.464 -0.087 20 0 EBADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@@H]1C[NH2+]Cc2ccnn2C1 ZINC001219794402 810843805 /nfs/dbraw/zinc/84/38/05/810843805.db2.gz YRNCECAQQMVNCX-CQSZACIVSA-N 3 0 346.479 -0.065 20 0 EBADRP Nc1cccn(CC(=O)NC2CC[NH+](C3CC[NH2+]CC3)CC2)c1=O ZINC001219795500 810846184 /nfs/dbraw/zinc/84/61/84/810846184.db2.gz AXJXHXNVXQBAOG-UHFFFAOYSA-N 2 0 333.436 -0.237 20 0 EBADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)c1cccnc1N1CC[NH2+]CC1 ZINC001219803412 810851691 /nfs/dbraw/zinc/85/16/91/810851691.db2.gz SVELQFHHRARICG-CQSZACIVSA-N 2 0 345.447 -0.010 20 0 EBADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1C[NH2+]CCC1(F)F ZINC001219836619 810871161 /nfs/dbraw/zinc/87/11/61/810871161.db2.gz AYKFNEJLMBZNBY-YRGRVCCFSA-N 2 0 333.379 -0.258 20 0 EBADRP O=C(COC1CC[NH2+]CC1)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219836742 810871208 /nfs/dbraw/zinc/87/12/08/810871208.db2.gz DLDJCJCHFQCJCU-CZUORRHYSA-N 2 0 327.425 -0.734 20 0 EBADRP O=C(C[C@@H]1CC[NH2+]C[C@@H]1F)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219839355 810872377 /nfs/dbraw/zinc/87/23/77/810872377.db2.gz YWZACXLOJYWOJW-ORIJERBGSA-N 2 0 329.416 -0.165 20 0 EBADRP [NH3+]C1(CC(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)CCOCC1 ZINC001219839195 810872728 /nfs/dbraw/zinc/87/27/28/810872728.db2.gz XXKDBVZKQDISKI-XJKSGUPXSA-N 2 0 327.425 -0.604 20 0 EBADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1ccc2c(n1)CC[NH2+]C2 ZINC001219843844 810874704 /nfs/dbraw/zinc/87/47/04/810874704.db2.gz DPTAALXWLGXADW-SCLBCKFNSA-N 2 0 346.431 -0.148 20 0 EBADRP [NH3+]C1CCN([C@H](C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)c2ccco2)CC1 ZINC001219854127 810880827 /nfs/dbraw/zinc/88/08/27/810880827.db2.gz DLLCVWCGORTBHZ-CLWVCHIJSA-N 2 0 334.420 -0.153 20 0 EBADRP CCN1CC[C@H](N2C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C2)C1=O ZINC001219903288 810902162 /nfs/dbraw/zinc/90/21/62/810902162.db2.gz XJDIFMDTUKBRST-RDBSUJKOSA-N 2 0 340.468 -0.501 20 0 EBADRP COC(=O)C1(NC(=O)c2cccnc2O[C@@H]2CC[NH2+]C2)CC[NH2+]CC1 ZINC001220001067 810941824 /nfs/dbraw/zinc/94/18/24/810941824.db2.gz GOCHCVDJPQUQKP-GFCCVEGCSA-N 2 0 348.403 -0.153 20 0 EBADRP COC(=O)C1(NC(=O)[C@H](C)[C@@H](OC)[C@@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC001220001291 810941974 /nfs/dbraw/zinc/94/19/74/810941974.db2.gz OVPYESVGWUGKLC-FRRDWIJNSA-N 2 0 327.425 -0.199 20 0 EBADRP COC(=O)C1(NC(=O)[C@@H]2CC[C@@]3(C2)C[NH2+]CCO3)CC[NH2+]CC1 ZINC001220001116 810942303 /nfs/dbraw/zinc/94/23/03/810942303.db2.gz HZQSTLSNGUABGB-IUODEOHRSA-N 2 0 325.409 -0.444 20 0 EBADRP [NH3+]CC1(N(Cc2ccccc2)C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)COC1 ZINC001220020487 810950625 /nfs/dbraw/zinc/95/06/25/810950625.db2.gz KUFCFRDCAPOWEF-HNNXBMFYSA-N 2 0 346.431 -0.927 20 0 EBADRP COC(=O)[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)C1CCOCC1 ZINC001220025621 810953668 /nfs/dbraw/zinc/95/36/68/810953668.db2.gz TVVMGNNRNMQAOF-DVOMOZLQSA-N 2 0 325.409 -0.730 20 0 EBADRP CCOC(=O)C(=CNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C(=O)OCC ZINC001220041581 810957153 /nfs/dbraw/zinc/95/71/53/810957153.db2.gz RQSJEXCXUPFPQC-GFCCVEGCSA-N 2 0 327.381 -0.560 20 0 EBADRP COC(=O)[C@H](COC(C)(C)C)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220088813 810978749 /nfs/dbraw/zinc/97/87/49/810978749.db2.gz QEICYPLFNAGLJY-STQMWFEESA-N 2 0 344.456 -0.790 20 0 EBADRP O=C(NCCCCCCN1C(=O)C=CC1=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220126759 810992800 /nfs/dbraw/zinc/99/28/00/810992800.db2.gz CKGHLBLXHLZSJU-ZDUSSCGKSA-N 2 0 334.420 -0.603 20 0 EBADRP Cn1cc2cccc(CNC(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)c2n1 ZINC001220143770 811000767 /nfs/dbraw/zinc/00/07/67/811000767.db2.gz UOGJUDUJGLWTCH-HNNXBMFYSA-N 2 0 330.436 -0.060 20 0 EBADRP [NH3+]CC1(NC(=O)[C@@H]([NH3+])CCc2cc(=O)oc3cc(O)ccc23)COC1 ZINC001220157029 811002961 /nfs/dbraw/zinc/00/29/61/811002961.db2.gz UZVLLQZTEKQLCA-ZDUSSCGKSA-N 2 0 347.371 -0.398 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220161502 811004848 /nfs/dbraw/zinc/00/48/48/811004848.db2.gz CSLZWVHKVXUDRN-JSGCOSHPSA-N 2 0 332.470 -0.755 20 0 EBADRP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCC2(C[NH+](CCO)C2)CC1 ZINC001035757323 811012927 /nfs/dbraw/zinc/01/29/27/811012927.db2.gz HUIWWVRUMBLBEH-CSLYMUCUSA-N 2 0 335.448 -0.234 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001220237742 811030287 /nfs/dbraw/zinc/03/02/87/811030287.db2.gz DBZZDLKBGGUJJP-XHSDSOJGSA-N 2 0 343.468 -0.315 20 0 EBADRP O=C(NCCc1nc(-c2ccccc2)n[nH]1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220243718 811033339 /nfs/dbraw/zinc/03/33/39/811033339.db2.gz WXQYGPHUKOONPN-ZDUSSCGKSA-N 2 0 326.404 -0.061 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC2(C[NH+](CCO)C2)CC1 ZINC001035851987 811041547 /nfs/dbraw/zinc/04/15/47/811041547.db2.gz CGEYJNWXZKGEHF-OAHLLOKOSA-N 2 0 325.453 -0.129 20 0 EBADRP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220367424 811075217 /nfs/dbraw/zinc/07/52/17/811075217.db2.gz XQGSSMVCEDTTNR-MCIONIFRSA-N 2 0 331.457 -0.867 20 0 EBADRP NC(=[NH2+])N(C(=O)CNCCC[NH3+])c1ccc(N2CCOCC2)cc1 ZINC001220460388 811116526 /nfs/dbraw/zinc/11/65/26/811116526.db2.gz KFBGAQAXQUJXIL-UHFFFAOYSA-N 2 0 334.424 -0.312 20 0 EBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)CN2CCCC[C@H]([NH3+])C2=O)O1 ZINC001220481432 811123392 /nfs/dbraw/zinc/12/33/92/811123392.db2.gz HBEPCFNPPDAXIH-VPWBDBDCSA-N 2 0 342.440 -0.833 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1[NH2+]Cc1nnnn1C ZINC001036268489 811131335 /nfs/dbraw/zinc/13/13/35/811131335.db2.gz RVAZYRMVETXZNB-CHWSQXEVSA-N 2 0 333.440 -0.368 20 0 EBADRP CN(CC[NH3+])CCNC(=O)c1ccc(C(=O)N2CCC([NH3+])CC2)cc1 ZINC001220517290 811134675 /nfs/dbraw/zinc/13/46/75/811134675.db2.gz FQHWIVMWIDPZSN-UHFFFAOYSA-N 2 0 347.463 -0.130 20 0 EBADRP [NH3+]CCOCCOCCNC(=O)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001220519707 811135440 /nfs/dbraw/zinc/13/54/40/811135440.db2.gz YNQROYDZHRLWMP-ZBFHGGJFSA-N 2 0 329.441 -0.357 20 0 EBADRP [NH3+]CCOCCOCCNC(=O)C1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001220519656 811135517 /nfs/dbraw/zinc/13/55/17/811135517.db2.gz WSTYFBDLCLZFBP-OAHLLOKOSA-N 2 0 328.457 -0.832 20 0 EBADRP [NH3+]CCOCCOCCNC(=O)C[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220519577 811135744 /nfs/dbraw/zinc/13/57/44/811135744.db2.gz SQGIZHSDBHVDJW-ZBFHGGJFSA-N 2 0 329.441 -0.357 20 0 EBADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]CCN1CCNC1=O ZINC001036299764 811137119 /nfs/dbraw/zinc/13/71/19/811137119.db2.gz SCAKIRODCVELDR-LSDHHAIUSA-N 2 0 337.468 -0.066 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]C[C@H]2OC(C)=O)CC[NH2+]C1 ZINC001220523521 811138751 /nfs/dbraw/zinc/13/87/51/811138751.db2.gz RCNWSELIEWEDRY-DGCLKSJQSA-N 2 0 325.365 -0.936 20 0 EBADRP CC(C)([NH3+])CN(C(=O)[C@H]1C[NH2+]C[C@H]1O)S(=O)(=O)c1ccccc1 ZINC001220535572 811143845 /nfs/dbraw/zinc/14/38/45/811143845.db2.gz GCTZWBWMMMARNL-QWHCGFSZSA-N 2 0 341.433 -0.479 20 0 EBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@@H]([NH3+])Cc1c[nH]c2ncccc12 ZINC001220583601 811165886 /nfs/dbraw/zinc/16/58/86/811165886.db2.gz PXTIVDSUDQSDLD-ZDUSSCGKSA-N 2 0 333.392 -0.217 20 0 EBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H](CC(=O)OC(C)(C)C)[NH2+]C ZINC001220583659 811166331 /nfs/dbraw/zinc/16/63/31/811166331.db2.gz SUUWHAPMDLAFRZ-NSHDSACASA-N 2 0 331.413 -0.343 20 0 EBADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001220652301 811189787 /nfs/dbraw/zinc/18/97/87/811189787.db2.gz YNVDGCSXWRXGRR-YJBOKZPZSA-N 2 0 330.432 -0.052 20 0 EBADRP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001220667854 811196230 /nfs/dbraw/zinc/19/62/30/811196230.db2.gz SNWIHRSSVXKDDH-OAGGEKHMSA-N 2 0 343.468 -0.725 20 0 EBADRP O=C(N[C@H]1CCC(=O)N[C@H]1c1ccccc1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220727462 811220282 /nfs/dbraw/zinc/22/02/82/811220282.db2.gz GYOFLXNIXSDMQD-YCPHGPKFSA-N 2 0 328.416 -0.069 20 0 EBADRP O=C(NC1CCN(c2cc[nH+]cc2)CC1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220743910 811224841 /nfs/dbraw/zinc/22/48/41/811224841.db2.gz VEHFSSDMDPSDBS-OAHLLOKOSA-N 2 0 331.420 -0.503 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@H](C)[C@@H](OC)[C@@H]2CCC[NH2+]2)C[NH2+]C1 ZINC001220829108 811258909 /nfs/dbraw/zinc/25/89/09/811258909.db2.gz XTZZKNMNBYBTBD-SCDSUCTJSA-N 2 0 325.409 -0.074 20 0 EBADRP CCOC(=O)C1=C(NC(=O)c2cccnc2O[C@@H]2CC[NH2+]C2)C[NH2+]C1 ZINC001220834066 811262594 /nfs/dbraw/zinc/26/25/94/811262594.db2.gz GLRDZJMLMDGTJP-LLVKDONJSA-N 2 0 346.387 -0.028 20 0 EBADRP [NH3+]Cc1ccccc1CNC(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001220852918 811266656 /nfs/dbraw/zinc/26/66/56/811266656.db2.gz CPZVSJFVESBNCZ-CQSZACIVSA-N 2 0 341.419 -0.301 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)NCCc1c[nH]c2cc[nH+]cc12 ZINC001220866313 811273230 /nfs/dbraw/zinc/27/32/30/811273230.db2.gz UYICBSNPNOSKIY-UHFFFAOYSA-N 2 0 339.421 -0.558 20 0 EBADRP [NH3+]CCN(CCNC(=O)[C@H]1CC[C@@H](C(F)(F)F)C[NH2+]1)N(O)N=O ZINC001220900336 811286577 /nfs/dbraw/zinc/28/65/77/811286577.db2.gz HIQKIPKQFBDWTE-RKDXNWHRSA-N 2 0 342.322 -0.419 20 0 EBADRP COC(=O)C[C@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)c1ccccn1 ZINC001220900723 811288335 /nfs/dbraw/zinc/28/83/35/811288335.db2.gz OQARRNVQVCHASK-HIFRSBDPSA-N 2 0 349.435 -0.448 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CC(N)=O)C2)CC1 ZINC001036858077 811291212 /nfs/dbraw/zinc/29/12/12/811291212.db2.gz SZPUMZGTLGBBJS-UKRRQHHQSA-N 2 0 338.452 -0.495 20 0 EBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001220916802 811293447 /nfs/dbraw/zinc/29/34/47/811293447.db2.gz BMJQJSBTNQKKJR-QEJZJMRPSA-N 2 0 340.468 -0.419 20 0 EBADRP CS(=O)(=O)N1CCC(CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001220926489 811296123 /nfs/dbraw/zinc/29/61/23/811296123.db2.gz OLIPHMHDGSMMLA-ZDUSSCGKSA-N 2 0 332.470 -0.899 20 0 EBADRP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220936060 811301047 /nfs/dbraw/zinc/30/10/47/811301047.db2.gz BZBKRDMGMIHIIW-GJZGRUSLSA-N 2 0 335.404 -0.058 20 0 EBADRP O=C(NCCO[C@H]1CC[NH2+]C1)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001220936067 811301393 /nfs/dbraw/zinc/30/13/93/811301393.db2.gz BZXCWWGHBBDIKR-QWHCGFSZSA-N 2 0 334.424 -0.976 20 0 EBADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001220936065 811301679 /nfs/dbraw/zinc/30/16/79/811301679.db2.gz BZXCWWGHBBDIKR-OLZOCXBDSA-N 2 0 334.424 -0.976 20 0 EBADRP [NH3+]CC(=O)NCC(=O)NCC1(Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC001220975426 811319450 /nfs/dbraw/zinc/31/94/50/811319450.db2.gz WHROHXZLZXYXGG-UHFFFAOYSA-N 2 0 336.411 -0.071 20 0 EBADRP COC(=O)CC[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)C(N)=O ZINC001221018747 811345929 /nfs/dbraw/zinc/34/59/29/811345929.db2.gz JLAXGVKJXMZEQJ-RYUDHWBXSA-N 2 0 330.429 -0.595 20 0 EBADRP COCCC1(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])CCS(=O)(=O)CC1 ZINC001221025693 811350563 /nfs/dbraw/zinc/35/05/63/811350563.db2.gz CZXQOWJIERXAFX-ZDUSSCGKSA-N 2 0 349.497 -0.067 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N(CC[NH3+])c1ccc(F)cc1 ZINC001221060979 811357105 /nfs/dbraw/zinc/35/71/05/811357105.db2.gz VURRSGGOBVTFLO-UHFFFAOYSA-N 2 0 332.401 -0.662 20 0 EBADRP COc1cccc(CNC(=O)CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c1 ZINC001221060950 811357511 /nfs/dbraw/zinc/35/75/11/811357511.db2.gz UUQSDQJZLWNBGA-RDTXWAMCSA-N 2 0 346.431 -0.373 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)C[NH+]2CCCC2)nc1=O ZINC001037127718 811371285 /nfs/dbraw/zinc/37/12/85/811371285.db2.gz XCKRMMSVZPAOKI-QWHCGFSZSA-N 2 0 336.440 -0.421 20 0 EBADRP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)C1=NO[C@@H]2C[NH2+]C[C@H]12 ZINC001221113887 811382897 /nfs/dbraw/zinc/38/28/97/811382897.db2.gz FJCCLNLOBWSLJX-QWHCGFSZSA-N 2 0 329.404 -0.207 20 0 EBADRP NC(=O)CC[C@H]([NH3+])CC(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221114118 811383822 /nfs/dbraw/zinc/38/38/22/811383822.db2.gz NJKUMGAESCBEKP-ZDUSSCGKSA-N 2 0 333.436 -0.198 20 0 EBADRP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221124177 811384748 /nfs/dbraw/zinc/38/47/48/811384748.db2.gz YUZUPIUOBOKYSB-CABCVRRESA-N 2 0 332.404 -0.072 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1cn(CC(F)(F)F)cn1 ZINC001221146356 811393381 /nfs/dbraw/zinc/39/33/81/811393381.db2.gz GBVJNCGKBPRGMC-LBPRGKRZSA-N 2 0 348.373 -0.188 20 0 EBADRP C[N@@H+]1CCC[C@@](C)(NC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001221244362 811424698 /nfs/dbraw/zinc/42/46/98/811424698.db2.gz XSQJEQGHUWPXPF-BLLLJJGKSA-N 2 0 328.457 -0.155 20 0 EBADRP CCCC(C[NH3+])(CCC)NC(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O ZINC001221375358 811447176 /nfs/dbraw/zinc/44/71/76/811447176.db2.gz XUSPATVUWVAQOA-NWDGAFQWSA-N 2 0 343.472 -0.502 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCCC(=O)c1cccnc1 ZINC001221394842 811449757 /nfs/dbraw/zinc/44/97/57/811449757.db2.gz VHERYDUWBHKQFD-HNNXBMFYSA-N 2 0 333.436 -0.089 20 0 EBADRP COc1cccc([C@H](C[NH3+])NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001221405712 811450665 /nfs/dbraw/zinc/45/06/65/811450665.db2.gz VRNWRDIXEZCDIF-HOTGVXAUSA-N 3 0 335.452 -0.438 20 0 EBADRP C[N@@H+]1C[C@@H](C(=O)N[C@H](C2CCC2)C2C[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001221408253 811451646 /nfs/dbraw/zinc/45/16/46/811451646.db2.gz HNOHMWGQZOPOST-JKSUJKDBSA-N 3 0 336.480 -0.057 20 0 EBADRP [NH3+]CCNC(=O)c1cccc(CN2CC(=O)NC3(CC[NH2+]CC3)C2)c1 ZINC001222515039 811637480 /nfs/dbraw/zinc/63/74/80/811637480.db2.gz JXVDPGJNDIYAKV-UHFFFAOYSA-N 2 0 345.447 -0.571 20 0 EBADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079707848 811676958 /nfs/dbraw/zinc/67/69/58/811676958.db2.gz WVQCMSSRUBIGPH-FVQBIDKESA-N 2 0 349.479 -0.210 20 0 EBADRP CC[C@H](C(=O)NCC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1)[NH+](C)C ZINC001223597936 811715094 /nfs/dbraw/zinc/71/50/94/811715094.db2.gz RYDKNRKTFGKHKR-KGLIPLIRSA-N 2 0 338.452 -0.040 20 0 EBADRP CC[C@H](C(=O)NCC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1)[NH+](C)C ZINC001223597937 811715125 /nfs/dbraw/zinc/71/51/25/811715125.db2.gz RYDKNRKTFGKHKR-ZIAGYGMSSA-N 2 0 338.452 -0.040 20 0 EBADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916972 811736354 /nfs/dbraw/zinc/73/63/54/811736354.db2.gz XOZJEONQJZUGJR-OAGGEKHMSA-N 2 0 343.468 -0.505 20 0 EBADRP C[C@H](C(=O)N(C)C)[NH+]1CCC(CNC(=O)COCC[NH+](C)C)CC1 ZINC001225162550 811797015 /nfs/dbraw/zinc/79/70/15/811797015.db2.gz HLHCDZFDCSBGAA-CQSZACIVSA-N 2 0 342.484 -0.131 20 0 EBADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O)[NH+](C)C ZINC001227056205 811900543 /nfs/dbraw/zinc/90/05/43/811900543.db2.gz BCZOJRMRJDRUAN-MGPQQGTHSA-N 2 0 348.513 -0.107 20 0 EBADRP COC[C@H](O)C[NH+]1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001227408826 811922311 /nfs/dbraw/zinc/92/23/11/811922311.db2.gz YPMVGADWTIZXJP-CVEARBPZSA-N 2 0 325.453 -0.084 20 0 EBADRP C[N@H+](CC(=O)NC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1)C1CCC1 ZINC001227833016 811944460 /nfs/dbraw/zinc/94/44/60/811944460.db2.gz PORGJTCAHBXTBS-CQSZACIVSA-N 2 0 336.436 -0.144 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001228595445 811989274 /nfs/dbraw/zinc/98/92/74/811989274.db2.gz XDZLVYPBBNHUDW-JHJVBQTASA-N 2 0 339.440 -0.317 20 0 EBADRP C[NH+](C)CC1(C(=O)NC2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)CC1 ZINC001228888491 812002767 /nfs/dbraw/zinc/00/27/67/812002767.db2.gz GWXFWIBNAMDQPD-CYBMUJFWSA-N 2 0 336.436 -0.286 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCS(C)(=O)=O)C1 ZINC001230138750 812080067 /nfs/dbraw/zinc/08/00/67/812080067.db2.gz QZWHVGBRUMGPJZ-BFHYXJOUSA-N 2 0 331.482 0.000 20 0 EBADRP CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001230275259 812095898 /nfs/dbraw/zinc/09/58/98/812095898.db2.gz KGCGURXXJHRBKD-HIFRSBDPSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC1CC[NH+](CCOCCO)CC1 ZINC001230275600 812097019 /nfs/dbraw/zinc/09/70/19/812097019.db2.gz UBBHVNFMHIOHKS-HNNXBMFYSA-N 2 0 343.468 -0.456 20 0 EBADRP CN(C[C@H]1CC[N@@H+]1CCOCCO)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001234346517 812413556 /nfs/dbraw/zinc/41/35/56/812413556.db2.gz WQEQRNPXISOLJE-HZPDHXFCSA-N 2 0 325.453 -0.130 20 0 EBADRP CCN1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2C)C1 ZINC001080976584 812415804 /nfs/dbraw/zinc/41/58/04/812415804.db2.gz CEIUTWUJDHOPGS-KFWWJZLASA-N 2 0 336.440 -0.565 20 0 EBADRP O=C1CCC[C@@]2(C[NH2+]CCN(Cc3cnc4n3CC[NH2+]CC4)C2)N1 ZINC001235177651 812473782 /nfs/dbraw/zinc/47/37/82/812473782.db2.gz RYMFQRVLQLUMPO-KRWDZBQOSA-N 2 0 332.452 -0.527 20 0 EBADRP OC[C@H]1C[NH2+]CCN1Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001235445818 812487958 /nfs/dbraw/zinc/48/79/58/812487958.db2.gz UUIDSYXVPRSNKQ-OAHLLOKOSA-N 2 0 330.436 -0.038 20 0 EBADRP COC(=O)C[C@H]1C[NH2+]CCN1Cc1cccc(C(=O)NCC[NH3+])c1 ZINC001235848464 812513889 /nfs/dbraw/zinc/51/38/89/812513889.db2.gz BWRLUXKXBQMGGM-HNNXBMFYSA-N 2 0 334.420 -0.288 20 0 EBADRP CCOC(=O)c1nc[nH]c1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310900 812516619 /nfs/dbraw/zinc/51/66/19/812516619.db2.gz AYFNSBSNZWAZBH-UHFFFAOYSA-N 2 0 340.428 -0.798 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cccc(-c2nn[nH]n2)c1 ZINC001236310651 812516852 /nfs/dbraw/zinc/51/68/52/812516852.db2.gz LHASVGMJVLBGKM-UHFFFAOYSA-N 2 0 346.439 -0.518 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccc2c(c1)C[NH2+]CC2 ZINC001236315733 812516887 /nfs/dbraw/zinc/51/68/87/812516887.db2.gz RGAODXMZZHBKFO-UHFFFAOYSA-N 3 0 333.480 -0.052 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(Cc1cnc3n1CC[NH2+]CC3)CC2 ZINC001237058352 812519867 /nfs/dbraw/zinc/51/98/67/812519867.db2.gz FJAACAFUBCBKSB-PBHICJAKSA-N 2 0 333.436 -0.244 20 0 EBADRP COC(=O)c1ccc([C@@H]([NH3+])CNS(=O)(=O)[C@H]2CC[NH2+]C2)cc1 ZINC001238919188 812535591 /nfs/dbraw/zinc/53/55/91/812535591.db2.gz JAQVEWALRFDAAL-STQMWFEESA-N 2 0 327.406 -0.246 20 0 EBADRP C[NH+](C)CCn1c(=O)ccc2c1CCN(S(=O)(=O)CC[NH3+])CC2 ZINC001239074897 812540822 /nfs/dbraw/zinc/54/08/22/812540822.db2.gz IBSIKKAFRYUOOZ-UHFFFAOYSA-N 2 0 342.465 -0.901 20 0 EBADRP Cc1ccsc1S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239130930 812545757 /nfs/dbraw/zinc/54/57/57/812545757.db2.gz ILFYTPUTNYCQCB-UHFFFAOYSA-N 2 0 348.494 -0.139 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(S(=O)(=O)C1CC[NH2+]CC1)CC2 ZINC001239173504 812549391 /nfs/dbraw/zinc/54/93/91/812549391.db2.gz RMMBZODDRHPQQZ-GXTWGEPZSA-N 2 0 331.438 -0.705 20 0 EBADRP c1cnc(N2CC[NH2+]CC2)c(-c2cnc(N3CC[NH2+]CC3)nc2)n1 ZINC001241894502 812553412 /nfs/dbraw/zinc/55/34/12/812553412.db2.gz CERBJLWWRKKUSE-UHFFFAOYSA-N 2 0 326.408 -0.247 20 0 EBADRP CSCCCNC(=S)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239450632 812553697 /nfs/dbraw/zinc/55/36/97/812553697.db2.gz GTPUQBDUMBMZQO-UHFFFAOYSA-N 2 0 335.543 -0.270 20 0 EBADRP O[C@H](CNc1nccnc1N1CC[NH2+]CC1)CC1(O)CC[NH2+]CC1 ZINC001245955124 812556600 /nfs/dbraw/zinc/55/66/00/812556600.db2.gz BYMXLKMARCWCSF-ZDUSSCGKSA-N 2 0 336.440 -0.836 20 0 EBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)N1 ZINC001245982232 812557083 /nfs/dbraw/zinc/55/70/83/812557083.db2.gz JFEWBZQKZMZORJ-RYQLBKOJSA-N 2 0 330.432 -0.209 20 0 EBADRP COC(=O)[C@H](CC[NH3+])NC[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001245976009 812557111 /nfs/dbraw/zinc/55/71/11/812557111.db2.gz CIZZFZZAEBISCS-MELADBBJSA-N 2 0 331.363 -0.325 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CO)CC[NH2+]CC1 ZINC001245976175 812557618 /nfs/dbraw/zinc/55/76/18/812557618.db2.gz BQPYYVPLOTZPLH-LSDHHAIUSA-N 2 0 329.391 -0.100 20 0 EBADRP O[C@H](C[NH2+]CC[C@H]1CCOC12CC[NH2+]CC2)CC1(O)CC[NH2+]CC1 ZINC001245987331 812558084 /nfs/dbraw/zinc/55/80/84/812558084.db2.gz ZJNGFXBVSTUJSU-HOTGVXAUSA-N 3 0 341.496 -0.010 20 0 EBADRP O[C@@H](C[NH2+]CC[C@H]1CCOC12CC[NH2+]CC2)CC1(O)CC[NH2+]CC1 ZINC001245987333 812558184 /nfs/dbraw/zinc/55/81/84/812558184.db2.gz ZJNGFXBVSTUJSU-JKSUJKDBSA-N 3 0 341.496 -0.010 20 0 EBADRP O[C@@H](C[NH2+]C1CCN([C@H]2CC[NH2+]C2)CC1)CC1(O)CC[NH2+]CC1 ZINC001246003381 812558752 /nfs/dbraw/zinc/55/87/52/812558752.db2.gz IHLBPOUSDYXWGB-JKSUJKDBSA-N 3 0 326.485 -0.732 20 0 EBADRP O[C@]1(CN2CCN(C3=NOC4(C3)CC[NH2+]CC4)CC2)CCC[NH2+]C1 ZINC001246030188 812559248 /nfs/dbraw/zinc/55/92/48/812559248.db2.gz CUKIMLWHNPJUNM-MRXNPFEDSA-N 2 0 337.468 -0.426 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246023350 812559363 /nfs/dbraw/zinc/55/93/63/812559363.db2.gz CNXYJEBJZMTEFK-GVDBMIGSSA-N 2 0 340.418 -0.167 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1CCOC[C@]2(C[NH2+]CCO2)C1 ZINC001246026833 812559390 /nfs/dbraw/zinc/55/93/90/812559390.db2.gz FHNNYDFWNAOODR-KSZLIROESA-N 2 0 335.448 -0.392 20 0 EBADRP O[C@@]1(CN2CCN(C3=NOC4(C3)CC[NH2+]CC4)CC2)CCC[NH2+]C1 ZINC001246030185 812559569 /nfs/dbraw/zinc/55/95/69/812559569.db2.gz CUKIMLWHNPJUNM-INIZCTEOSA-N 2 0 337.468 -0.426 20 0 EBADRP O[C@@H](COCc1ccccc1)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246058446 812562146 /nfs/dbraw/zinc/56/21/46/812562146.db2.gz VLJQKBLHWHTCIO-GOSISDBHSA-N 2 0 336.480 -0.352 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@H](O)COCc1ccco1 ZINC001246056907 812562250 /nfs/dbraw/zinc/56/22/50/812562250.db2.gz WWFHRAOPVXCTEZ-AWEZNQCLSA-N 2 0 342.440 -0.727 20 0 EBADRP O=C([C@@H]1C[C@@H]([NH2+]CCCOC2CC[NH2+]CC2)CN1)N1CCSC1 ZINC001246115063 812564907 /nfs/dbraw/zinc/56/49/07/812564907.db2.gz QHFUBWSSFRWHAZ-HIFRSBDPSA-N 2 0 342.509 -0.002 20 0 EBADRP O=S(=O)(CC[NH2+]C1CCC2(CC1)C[NH2+]CCO2)N1CCNCC1 ZINC001246098484 812565131 /nfs/dbraw/zinc/56/51/31/812565131.db2.gz BQTNRFYQEBXJHT-UHFFFAOYSA-N 2 0 346.497 -0.888 20 0 EBADRP COC(=O)C1C[C@@H]2CC([NH2+]C[C@H]3C[C@H]4C[NH2+]CCN4C3)C[C@H](C1)[NH2+]2 ZINC001246124314 812565295 /nfs/dbraw/zinc/56/52/95/812565295.db2.gz ALOVTXDWLCQDBH-HYEQQMJUSA-N 3 0 336.480 -0.058 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CCN1 ZINC001246140522 812566308 /nfs/dbraw/zinc/56/63/08/812566308.db2.gz ACEVIMIWOYIPKR-AIANPOQGSA-N 2 0 341.452 -0.345 20 0 EBADRP O=C([C@@H]1C[C@H]([NH2+]C[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)CN1)N1CCSC1 ZINC001246147787 812567137 /nfs/dbraw/zinc/56/71/37/812567137.db2.gz JVHPSFYZRFADIB-SEBNEYGDSA-N 2 0 340.493 -0.536 20 0 EBADRP O=C([C@@H]1C[C@H](N[C@H]2CO[C@]3(CC[NH2+]C3)C2)C[NH2+]1)N1CCSC1 ZINC001246152928 812567421 /nfs/dbraw/zinc/56/74/21/812567421.db2.gz NZMSIZRDNXQFEB-SFDCQRBFSA-N 2 0 326.466 -0.640 20 0 EBADRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC001246217688 812568031 /nfs/dbraw/zinc/56/80/31/812568031.db2.gz VRTSQSWMIWGJMZ-INIZCTEOSA-N 3 0 333.473 -0.257 20 0 EBADRP COC(=O)[C@H](CCCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)NC(C)=O ZINC001246484625 812573980 /nfs/dbraw/zinc/57/39/80/812573980.db2.gz VWTJLLCIGGHZEL-KGLIPLIRSA-N 2 0 326.441 -0.482 20 0 EBADRP COC(=O)C1C[C@@H]2CC(N3CC(=O)NC[C@@]34CC[NH2+]C4)C[C@H](C1)[NH2+]2 ZINC001246623395 812576239 /nfs/dbraw/zinc/57/62/39/812576239.db2.gz SSDACELILPJMFK-GMOAHTMHSA-N 2 0 336.436 -0.778 20 0 EBADRP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CCNC3(CC[NH2+]CC3)C2)C[C@@H]1C(=O)OC ZINC001246594044 812576512 /nfs/dbraw/zinc/57/65/12/812576512.db2.gz IVZOEYGALFGIKW-ZSOGYDGISA-N 2 0 339.436 -0.245 20 0 EBADRP O=C1NCC[C@]12C[N@@H+](C1CCC3(CC1)C[NH2+]CCO3)CC21C[NH2+]C1 ZINC001246623277 812576916 /nfs/dbraw/zinc/57/69/16/812576916.db2.gz BQJAKUOXAOICOG-UYJHFMRCSA-N 3 0 334.464 -0.301 20 0 EBADRP CCOC(=O)[C@@]12C[N@@H+]([C@H]3CN[C@H](C(=O)OC)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246683275 812580339 /nfs/dbraw/zinc/58/03/39/812580339.db2.gz QIGWDPHGJDMZIY-LOUJCGABSA-N 2 0 339.436 -0.245 20 0 EBADRP c1ncc(O[C@@H]2C[C@@H]3CN([C@@H]4CCNC5(C[NH2+]C5)C4)CC[N@@H+]3C2)cn1 ZINC001246706176 812581355 /nfs/dbraw/zinc/58/13/55/812581355.db2.gz BOJAZWCQMKUGBM-BZUAXINKSA-N 2 0 344.463 -0.292 20 0 EBADRP O=C(N[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2COC[C@H]12)C1CCC1 ZINC001246728049 812584881 /nfs/dbraw/zinc/58/48/81/812584881.db2.gz JYAXVRXPPWNKOQ-ZJIFWQFVSA-N 2 0 334.464 -0.304 20 0 EBADRP CC(C)NC(=O)c1nn([C@H]2CCNC3(C[NH2+]C3)C2)c2c1C[NH2+]CC2 ZINC001246753160 812586385 /nfs/dbraw/zinc/58/63/85/812586385.db2.gz BNLZYSMQMAWKBT-LBPRGKRZSA-N 2 0 332.452 -0.067 20 0 EBADRP COC(=O)C[C@H]1C[NH2+]CCN1[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246817912 812588661 /nfs/dbraw/zinc/58/86/61/812588661.db2.gz OHHCRTZIAPZAPU-AGIUHOORSA-N 2 0 342.465 -0.913 20 0 EBADRP O=S1(=O)CCN(C2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)CC1 ZINC001246820421 812588740 /nfs/dbraw/zinc/58/87/40/812588740.db2.gz OQRGQNYKAITCIR-HNNXBMFYSA-N 2 0 342.509 -0.725 20 0 EBADRP CCOC(=O)[C@@H]1CC[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)CO1 ZINC001246824544 812590122 /nfs/dbraw/zinc/59/01/22/812590122.db2.gz YVGPXVWGZBHATM-GJZGRUSLSA-N 2 0 328.457 -0.819 20 0 EBADRP CCOC(=O)[C@]12C[N@@H+]([C@H]3CCN[C@H](C(=O)OC)C3)C[C@H]1C[NH2+]CC2 ZINC001246856399 812590778 /nfs/dbraw/zinc/59/07/78/812590778.db2.gz VCUDNRKKOOJYSS-XJIUQZFPSA-N 2 0 339.436 -0.245 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C1CC[NH+](CC2CC2)CC1 ZINC001246925086 812592924 /nfs/dbraw/zinc/59/29/24/812592924.db2.gz LBAMFIGAHQVVGC-UHFFFAOYSA-N 3 0 325.501 -0.023 20 0 EBADRP CCN(CC)C(=O)C[C@@H](C)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246925677 812593180 /nfs/dbraw/zinc/59/31/80/812593180.db2.gz OLNZWPCSWXFTFJ-CQSZACIVSA-N 3 0 329.489 -0.251 20 0 EBADRP C[N@@H+]1CCC[C@@H](n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001255479256 812714945 /nfs/dbraw/zinc/71/49/45/812714945.db2.gz FMTFVMIMOVKCSV-SNPRPXQTSA-N 2 0 348.451 -0.504 20 0 EBADRP CC[NH+](CC)CC[C@H](C)[NH2+]CCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001255954283 812724215 /nfs/dbraw/zinc/72/42/15/812724215.db2.gz CFDIPLNIPOJHCE-UGYDUONOSA-N 2 0 334.457 -0.460 20 0 EBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001256491000 812733869 /nfs/dbraw/zinc/73/38/69/812733869.db2.gz ZVNABMJIFTUBPI-WOPDTQHZSA-N 2 0 331.413 -0.163 20 0 EBADRP CS(=O)(=O)N1CCC([NH2+]CCCOCCOCCC[NH3+])CC1 ZINC001257224889 812754965 /nfs/dbraw/zinc/75/49/65/812754965.db2.gz SAWBWZIWUNTUES-UHFFFAOYSA-N 2 0 337.486 -0.228 20 0 EBADRP COC(=O)[C@@H]1CC[C@H]([NH+]2CCN(CC[NH3+])CC2)C[C@H]1C(=O)OC ZINC001257723061 812771233 /nfs/dbraw/zinc/77/12/33/812771233.db2.gz VZGMCGAONZCHTB-BFHYXJOUSA-N 2 0 327.425 -0.306 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001261437953 812905908 /nfs/dbraw/zinc/90/59/08/812905908.db2.gz QHBPFKRIFOJUFR-MRXNPFEDSA-N 3 0 327.517 -0.790 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)cn1 ZINC001261522887 812926982 /nfs/dbraw/zinc/92/69/82/812926982.db2.gz GZCKVFJEMFBCBH-UHFFFAOYSA-N 2 0 334.424 -0.262 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC001262035058 813029531 /nfs/dbraw/zinc/02/95/31/813029531.db2.gz WYLRGODOLFHFAA-SMDDNHRTSA-N 2 0 334.424 -0.045 20 0 EBADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)NCC3([NH3+])CC3)CC2)CC1 ZINC001262543950 813091479 /nfs/dbraw/zinc/09/14/79/813091479.db2.gz OZSALIGHWUYBSX-UHFFFAOYSA-N 2 0 337.468 -0.731 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081505252 813092135 /nfs/dbraw/zinc/09/21/35/813092135.db2.gz CZQZGFIESXBFBY-KGLIPLIRSA-N 2 0 328.457 -0.785 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1O ZINC001081505452 813094324 /nfs/dbraw/zinc/09/43/24/813094324.db2.gz GKMWLUCOXAGPSU-GJZGRUSLSA-N 2 0 342.484 -0.395 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)C[NH+](C)C ZINC001262550552 813096024 /nfs/dbraw/zinc/09/60/24/813096024.db2.gz XKWKUQTZWAZMFM-VBQJREDUSA-N 2 0 340.468 -0.343 20 0 EBADRP CS(=O)(=O)NCC[NH2+][C@H]1C[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001263879437 813133168 /nfs/dbraw/zinc/13/31/68/813133168.db2.gz WTZPIWSKAAKBIU-JOCQHMNTSA-N 2 0 332.470 -0.884 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081553095 813165264 /nfs/dbraw/zinc/16/52/64/813165264.db2.gz FLUJYDPLSBLBSL-LSDHHAIUSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001081553354 813165986 /nfs/dbraw/zinc/16/59/86/813165986.db2.gz IJNYIUCSHJDAOW-HUUCEWRRSA-N 2 0 342.484 -0.396 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081553710 813168089 /nfs/dbraw/zinc/16/80/89/813168089.db2.gz MIWJKVAFMNFKHR-UONOGXRCSA-N 2 0 328.457 -0.786 20 0 EBADRP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NC(=O)NC1CC1 ZINC001265069012 813234313 /nfs/dbraw/zinc/23/43/13/813234313.db2.gz XXNHHODHRLSUKJ-GFCCVEGCSA-N 2 0 339.440 -0.636 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001265073061 813236757 /nfs/dbraw/zinc/23/67/57/813236757.db2.gz OIPWOWWKOGUGGT-ZDUSSCGKSA-N 2 0 341.456 -0.116 20 0 EBADRP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)NC(=O)NC ZINC001265114650 813240492 /nfs/dbraw/zinc/24/04/92/813240492.db2.gz IZMCLDKNIKUFKS-CHWSQXEVSA-N 2 0 341.456 -0.390 20 0 EBADRP C[C@@H](O)C[NH+]1CCN(CCCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001265244740 813272846 /nfs/dbraw/zinc/27/28/46/813272846.db2.gz OKBAJJWJHRVYIU-OAHLLOKOSA-N 2 0 326.485 -0.025 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081635121 813339665 /nfs/dbraw/zinc/33/96/65/813339665.db2.gz PTLPXBCGOCAKHA-HUUCEWRRSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001265862885 813390639 /nfs/dbraw/zinc/39/06/39/813390639.db2.gz KMPREEFQIHVUSY-LLVKDONJSA-N 2 0 327.429 -0.508 20 0 EBADRP CS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001265905864 813409751 /nfs/dbraw/zinc/40/97/51/813409751.db2.gz XZYBGNKYUYQVJM-UONOGXRCSA-N 2 0 344.481 -0.932 20 0 EBADRP CC(C)[C@H](C(=O)NCCC[N@H+](C)CC(=O)NC(N)=O)[NH+]1CCCC1 ZINC001265978277 813433218 /nfs/dbraw/zinc/43/32/18/813433218.db2.gz HHKDVCKVVSAGSP-CQSZACIVSA-N 2 0 341.456 -0.260 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081733169 813488847 /nfs/dbraw/zinc/48/88/47/813488847.db2.gz PXUVWJAOGMTXJD-KGLIPLIRSA-N 2 0 328.457 -0.785 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001081775065 813544812 /nfs/dbraw/zinc/54/48/12/813544812.db2.gz WVPPSIOGAAWKMT-CABCVRRESA-N 2 0 342.484 -0.395 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001266730961 813653782 /nfs/dbraw/zinc/65/37/82/813653782.db2.gz MDVNTWPTXQINTK-ZDUSSCGKSA-N 2 0 341.456 -0.246 20 0 EBADRP CC[C@H](C(=O)N(C)CC[NH2+]CC(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001266741416 813658147 /nfs/dbraw/zinc/65/81/47/813658147.db2.gz TUCCNZINLDTWTR-GFCCVEGCSA-N 2 0 327.429 -0.637 20 0 EBADRP CS(=O)(=O)CC[NH2+]C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001266817877 813677909 /nfs/dbraw/zinc/67/79/09/813677909.db2.gz UNWOURUVODEBJR-AWEZNQCLSA-N 2 0 343.493 -0.045 20 0 EBADRP CC[C@H](C(=O)N(C)CC[NH2+][C@H]1CCC(=O)NC1=O)[NH+](CC)CC ZINC001266833982 813680401 /nfs/dbraw/zinc/68/04/01/813680401.db2.gz CBINEASBBXFPTQ-QWHCGFSZSA-N 2 0 326.441 -0.040 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@H](C(=O)NCC[NH2+]CCO)C1)[NH+](C)C ZINC001267001829 813727904 /nfs/dbraw/zinc/72/79/04/813727904.db2.gz BJYDQVHTEXMZOZ-KBPBESRZSA-N 2 0 328.457 -0.737 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H](C(=O)NCC[NH2+]CCO)C2)C1 ZINC001267002644 813730018 /nfs/dbraw/zinc/73/00/18/813730018.db2.gz QIYSALSOFWBTGB-CABCVRRESA-N 2 0 340.468 -0.735 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001267068082 813751225 /nfs/dbraw/zinc/75/12/25/813751225.db2.gz CRZXKBVCGGSWJR-KBPBESRZSA-N 2 0 346.497 -0.685 20 0 EBADRP O=C(NC[C@H]1CCC[N@H+]1CCOCCO)[C@H]1C[NH+]2CCC1CC2 ZINC001267266256 813810860 /nfs/dbraw/zinc/81/08/60/813810860.db2.gz CBVPJADKWYJRCG-CVEARBPZSA-N 2 0 325.453 -0.082 20 0 EBADRP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001082223198 813829833 /nfs/dbraw/zinc/82/98/33/813829833.db2.gz ILRFBQGSHOWGAT-HUUCEWRRSA-N 2 0 339.440 -0.744 20 0 EBADRP CC(=O)NCCOCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267306593 813837898 /nfs/dbraw/zinc/83/78/98/813837898.db2.gz WLSNNEQQJCTZQL-JKSUJKDBSA-N 2 0 340.468 -0.471 20 0 EBADRP CC(=O)NCCOCC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267306590 813839395 /nfs/dbraw/zinc/83/93/95/813839395.db2.gz WLSNNEQQJCTZQL-CVEARBPZSA-N 2 0 340.468 -0.471 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001267412654 813883878 /nfs/dbraw/zinc/88/38/78/813883878.db2.gz OMCKBWDEILOPNF-UHFFFAOYSA-N 2 0 341.456 -0.246 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001267418283 813886143 /nfs/dbraw/zinc/88/61/43/813886143.db2.gz DPQQQHDKDCSALH-RYUDHWBXSA-N 2 0 327.429 -0.780 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082448152 813947875 /nfs/dbraw/zinc/94/78/75/813947875.db2.gz GGILYDDNAYBQCW-KFWWJZLASA-N 2 0 338.452 -0.624 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1[NH2+]CC(N)=O ZINC001082558183 813967381 /nfs/dbraw/zinc/96/73/81/813967381.db2.gz CWRDTFSERGGXJK-YUELXQCFSA-N 2 0 338.452 -0.448 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1[NH2+]CC(N)=O ZINC001082558182 813967612 /nfs/dbraw/zinc/96/76/12/813967612.db2.gz CWRDTFSERGGXJK-BPLDGKMQSA-N 2 0 338.452 -0.448 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001082919731 814024443 /nfs/dbraw/zinc/02/44/43/814024443.db2.gz CSEISJCZTPIDID-RBSFLKMASA-N 2 0 338.452 -0.767 20 0 EBADRP Cn1nnnc1C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267900586 814066387 /nfs/dbraw/zinc/06/63/87/814066387.db2.gz ZZCXCUPRBNBIJA-ZIAGYGMSSA-N 2 0 335.456 -0.120 20 0 EBADRP C[C@@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268087059 814121197 /nfs/dbraw/zinc/12/11/97/814121197.db2.gz PEOOQPPEGNVRGU-OLZOCXBDSA-N 2 0 334.486 -0.686 20 0 EBADRP CC[C@H](C(=O)N(C)CC[N@H+](C)CCN1C(=O)CCC1=O)[NH+](C)C ZINC001268255221 814162156 /nfs/dbraw/zinc/16/21/56/814162156.db2.gz TTYKYZXJMJSVQS-CYBMUJFWSA-N 2 0 326.441 -0.134 20 0 EBADRP CCN(CC[NH2+]CC(=O)Nc1cnccn1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268497291 814265394 /nfs/dbraw/zinc/26/53/94/814265394.db2.gz KFWGTEZGFOUJLQ-ZDUSSCGKSA-N 2 0 334.424 -0.195 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001268628227 814328417 /nfs/dbraw/zinc/32/84/17/814328417.db2.gz ZUAYDXIRTIBXIQ-MQQKUOPWSA-N 2 0 338.452 -0.505 20 0 EBADRP C[C@H](C[NH2+]CCN1C(=O)NC(C)(C)C1=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268659576 814341482 /nfs/dbraw/zinc/34/14/82/814341482.db2.gz WQMLQSVTRBXLAM-VXGBXAGGSA-N 2 0 339.440 -0.495 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001268660589 814342303 /nfs/dbraw/zinc/34/23/03/814342303.db2.gz RKIBOIQDPOOPKU-GFCCVEGCSA-N 2 0 334.486 -0.638 20 0 EBADRP CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCN1C(=O)CNC1=O)[NH+](C)C ZINC001268747292 814374887 /nfs/dbraw/zinc/37/48/87/814374887.db2.gz QCUZVYVIJVOGFU-RYUDHWBXSA-N 2 0 327.429 -0.685 20 0 EBADRP CN(CCC[NH2+]Cc1nnc2n1CCOC2)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268784277 814385085 /nfs/dbraw/zinc/38/50/85/814385085.db2.gz SEWWALCCVUHIGK-ZDUSSCGKSA-N 2 0 336.440 -0.159 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268793988 814387622 /nfs/dbraw/zinc/38/76/22/814387622.db2.gz VDKPZHCCAYAWFU-JHJVBQTASA-N 2 0 341.456 -0.391 20 0 EBADRP CN(CCC[NH2+]CCN(C)S(C)(=O)=O)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001268801648 814390858 /nfs/dbraw/zinc/39/08/58/814390858.db2.gz HKIYMGOYIJHPCI-CQSZACIVSA-N 2 0 348.513 -0.200 20 0 EBADRP C[C@H]([NH2+]CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)NC(N)=O ZINC001268848144 814412852 /nfs/dbraw/zinc/41/28/52/814412852.db2.gz RSBJEFADTLZCBA-NEPJUHHUSA-N 2 0 327.429 -0.650 20 0 EBADRP CN(CC(=O)N1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1)C(N)=[NH2+] ZINC001268996492 814467678 /nfs/dbraw/zinc/46/76/78/814467678.db2.gz LYVGMJDEDSVKEJ-OKILXGFUSA-N 2 0 333.440 -0.095 20 0 EBADRP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H](O)C2)cn1 ZINC001083472702 814467668 /nfs/dbraw/zinc/46/76/68/814467668.db2.gz MAKBJPCPRKJIPD-DZUCGIPZSA-N 2 0 349.479 -0.053 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@@H]2O)CC[N@@H+]1C ZINC001083472843 814467873 /nfs/dbraw/zinc/46/78/73/814467873.db2.gz SYNVHDKCOCXZCB-MIGQKNRLSA-N 2 0 335.452 -0.536 20 0 EBADRP CC[N@H+](C)CC(=O)N1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001269095409 814530182 /nfs/dbraw/zinc/53/01/82/814530182.db2.gz SQSARGXQIIGVJE-QGZVFWFLSA-N 2 0 340.468 -0.423 20 0 EBADRP O=C(N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654898 814664867 /nfs/dbraw/zinc/66/48/67/814664867.db2.gz LMCIVJKSEHRXFK-OWQJAQGESA-N 2 0 335.448 -0.189 20 0 EBADRP O=C(N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654899 814665230 /nfs/dbraw/zinc/66/52/30/814665230.db2.gz LMCIVJKSEHRXFK-PLQZLIEUSA-N 2 0 335.448 -0.189 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CCNS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001269415278 814682660 /nfs/dbraw/zinc/68/26/60/814682660.db2.gz BTWGHMVOAMRYJT-QWHCGFSZSA-N 2 0 346.497 -0.496 20 0 EBADRP Cn1ccc(C[N@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)cc1=O ZINC001083749389 814753511 /nfs/dbraw/zinc/75/35/11/814753511.db2.gz WIERHEAQMSKASF-CVEARBPZSA-N 2 0 348.447 -0.612 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+]CCNS(C)(=O)=O)C1 ZINC001270847437 815913162 /nfs/dbraw/zinc/91/31/62/815913162.db2.gz NBDKAJFEONZYSF-HNNXBMFYSA-N 2 0 348.513 -0.296 20 0 EBADRP C[NH+](C)CCN1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)C[N@@H+]3C)C2)C1=O ZINC001271098468 815985248 /nfs/dbraw/zinc/98/52/48/815985248.db2.gz HNYGKFJCTIRDPT-ZQIUZPCESA-N 2 0 338.452 -0.936 20 0 EBADRP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001084831938 815991041 /nfs/dbraw/zinc/99/10/41/815991041.db2.gz GQBQZVAQLUVJBG-BRWVUGGUSA-N 2 0 347.463 -0.128 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001271171410 816016010 /nfs/dbraw/zinc/01/60/10/816016010.db2.gz RUDPRBLAEPBGIP-ZDUSSCGKSA-N 2 0 346.497 -0.542 20 0 EBADRP NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085279611 816036021 /nfs/dbraw/zinc/03/60/21/816036021.db2.gz UKFCRURPGZGTME-JEFPAAPESA-N 2 0 336.436 -0.648 20 0 EBADRP C[C@H](C[NH2+]CCCS(=O)(=O)N(C)C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001271210599 816036614 /nfs/dbraw/zinc/03/66/14/816036614.db2.gz YMSDMMPNMAQTQF-KGLIPLIRSA-N 2 0 348.513 -0.344 20 0 EBADRP CN(C[C@@H]1CC[N@@H+]1C[C@@H](O)Cn1cccn1)C(=O)C12CC[NH+](CC1)C2 ZINC001085928174 816180973 /nfs/dbraw/zinc/18/09/73/816180973.db2.gz PQSSIDORUQGZIR-JKSUJKDBSA-N 2 0 347.463 -0.128 20 0 EBADRP C[NH+]1CCC(O)(C(=O)N2CC[C@H]3C[N@H+](CCn4ccnc4)C[C@H]32)CC1 ZINC001271802158 816216616 /nfs/dbraw/zinc/21/66/16/816216616.db2.gz RJCVCJWQQVYPCQ-JKSUJKDBSA-N 2 0 347.463 -0.128 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC[N@@H+]1C ZINC001086090114 816226841 /nfs/dbraw/zinc/22/68/41/816226841.db2.gz IAJBTXTUIGBSNR-RKQHYHRCSA-N 2 0 336.436 -0.384 20 0 EBADRP CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1)C(N)=O ZINC001086177456 816260953 /nfs/dbraw/zinc/26/09/53/816260953.db2.gz USVVOAZRNBNYSQ-XGUBFFRZSA-N 2 0 340.468 -0.156 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnc4n3CCOC4)C2)C1 ZINC001086271523 816285469 /nfs/dbraw/zinc/28/54/69/816285469.db2.gz BYGXQGTXIJXZGC-MELADBBJSA-N 2 0 348.451 -0.256 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001086327835 816299033 /nfs/dbraw/zinc/29/90/33/816299033.db2.gz RLJMVKMMIMNIIE-ZQDZILKHSA-N 2 0 343.493 0.000 20 0 EBADRP Cn1ncc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)n1 ZINC001086373183 816310315 /nfs/dbraw/zinc/31/03/15/816310315.db2.gz ORXPCIYOILJHQW-SDADXPQNSA-N 2 0 348.451 -0.337 20 0 EBADRP Cn1ncnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001086373290 816311438 /nfs/dbraw/zinc/31/14/38/816311438.db2.gz RZSNBMSAMDOMBA-AJNGGQMLSA-N 2 0 348.451 -0.337 20 0 EBADRP Cn1ccc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CCC[N@@H+]2C)cc1=O ZINC001272129786 816321322 /nfs/dbraw/zinc/32/13/22/816321322.db2.gz PZGPKINIEOMAGF-HNNXBMFYSA-N 2 0 336.436 -0.610 20 0 EBADRP O=C(NC[C@@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001086432569 816333108 /nfs/dbraw/zinc/33/31/08/816333108.db2.gz YTCDLSGPKLKELD-YGBQRXDESA-N 2 0 348.447 -0.778 20 0 EBADRP CCn1nncc1C[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272197498 816348644 /nfs/dbraw/zinc/34/86/44/816348644.db2.gz SNAPIZGVBDAYIV-HNNXBMFYSA-N 2 0 338.456 -0.307 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2[NH2+]CCO)cn1 ZINC001086984398 816434811 /nfs/dbraw/zinc/43/48/11/816434811.db2.gz NLXKLKZRVXPUKY-XHSDSOJGSA-N 2 0 335.452 -0.219 20 0 EBADRP Cc1nc[nH]c1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001087007557 816443442 /nfs/dbraw/zinc/44/34/42/816443442.db2.gz JVGXKDHBWCZION-DIOULYMOSA-N 2 0 346.435 -0.041 20 0 EBADRP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCN1C ZINC001272565977 816478269 /nfs/dbraw/zinc/47/82/69/816478269.db2.gz UNYAQPSLIBFIKB-HMQMGEFJSA-N 2 0 337.512 -0.095 20 0 EBADRP CCN1CCO[C@H](C(=O)N2CC[C@H](CC[NH2+]CC(=O)N(C)C)C2)C1 ZINC001272642809 816499766 /nfs/dbraw/zinc/49/97/66/816499766.db2.gz XYYNSTQEDKCGMQ-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP O=C1CC[C@@H](CN2C(=O)COCC23C[NH+](CC2CC[NH2+]CC2)C3)N1 ZINC001273029347 816570573 /nfs/dbraw/zinc/57/05/73/816570573.db2.gz BMRNEQSGIZHCQY-AWEZNQCLSA-N 2 0 336.436 -0.822 20 0 EBADRP O=C(C[N@H+]1CC[C@H](O)C1)N1CC2(C1)CC[NH+](Cc1cccc(=O)[nH]1)C2 ZINC001273069550 816577591 /nfs/dbraw/zinc/57/75/91/816577591.db2.gz JKBHJRHJDDQQAO-HNNXBMFYSA-N 2 0 346.431 -0.112 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001087967870 816593832 /nfs/dbraw/zinc/59/38/32/816593832.db2.gz POSGZFQWWAUAJZ-OWCLPIDISA-N 2 0 334.464 -0.146 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)CC[NH2+]Cc1nnnn1C ZINC001273184882 816602650 /nfs/dbraw/zinc/60/26/50/816602650.db2.gz UTAHQYHEVMOPEJ-OLZOCXBDSA-N 2 0 339.444 -0.837 20 0 EBADRP COC(=O)[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273415838 816670803 /nfs/dbraw/zinc/67/08/03/816670803.db2.gz UGCLLXVIHMVYMM-XJKSGUPXSA-N 2 0 327.425 -0.340 20 0 EBADRP COCOCCC[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273466439 816679521 /nfs/dbraw/zinc/67/95/21/816679521.db2.gz JDLAXBXVZLAHBJ-INIZCTEOSA-N 2 0 329.441 -0.138 20 0 EBADRP CCN(CC[NH2+]CCN1CCCS1(=O)=O)C(=O)C[NH+]1CCCC1 ZINC001273753581 816749483 /nfs/dbraw/zinc/74/94/83/816749483.db2.gz VUVMIJRGLFCVJF-UHFFFAOYSA-N 2 0 346.497 -0.444 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCN1CCNC1=O ZINC001088835835 816752484 /nfs/dbraw/zinc/75/24/84/816752484.db2.gz QSROJDYPAIJPOK-HIFRSBDPSA-N 2 0 337.468 -0.068 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC001088984102 816774348 /nfs/dbraw/zinc/77/43/48/816774348.db2.gz HGEBRRWOALEGBM-PMPSAXMXSA-N 2 0 347.463 -0.081 20 0 EBADRP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@H+](CC(=O)NC3CC3)C2)C1=O ZINC001273829932 816777026 /nfs/dbraw/zinc/77/70/26/816777026.db2.gz RNUXPFSNEQBTPG-KRWDZBQOSA-N 2 0 336.436 -0.332 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@](CO)([NH2+]CCOCCO)C1 ZINC001273866562 816790176 /nfs/dbraw/zinc/79/01/76/816790176.db2.gz KGXPGMARTZQKPJ-ZBFHGGJFSA-N 2 0 329.441 -0.967 20 0 EBADRP Cn1c(C[N@@H+]2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cccc1=O ZINC001273944167 816818366 /nfs/dbraw/zinc/81/83/66/816818366.db2.gz HGCWWCPEDJJLGP-GOSISDBHSA-N 2 0 348.447 -0.250 20 0 EBADRP COC(=O)CC[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001273966806 816826325 /nfs/dbraw/zinc/82/63/25/816826325.db2.gz ZHDAEUOYZGRJIW-MRXNPFEDSA-N 2 0 325.409 -0.048 20 0 EBADRP CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001089894465 816935107 /nfs/dbraw/zinc/93/51/07/816935107.db2.gz UZFDVVNQZFGADC-JJXSEGSLSA-N 2 0 346.475 -0.003 20 0 EBADRP CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001089894467 816935151 /nfs/dbraw/zinc/93/51/51/816935151.db2.gz UZFDVVNQZFGADC-JONQDZQNSA-N 2 0 346.475 -0.003 20 0 EBADRP CCOC[C@H](O)C[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001274568575 817015397 /nfs/dbraw/zinc/01/53/97/817015397.db2.gz WBKPUOQUJMJIJR-NVXWUHKLSA-N 2 0 343.468 -0.504 20 0 EBADRP COC(=O)[C@@H](O)C[N@@H+]1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001274603769 817029428 /nfs/dbraw/zinc/02/94/28/817029428.db2.gz GXMBLKUYKBIBCW-BBRMVZONSA-N 2 0 327.425 -0.461 20 0 EBADRP COC(=O)[C@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001274604016 817030451 /nfs/dbraw/zinc/03/04/51/817030451.db2.gz MRIRTAJLRDJPNG-CHWSQXEVSA-N 2 0 327.425 -0.700 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[N@H+](CCCF)C[C@@H]2O)n1 ZINC001090270906 817212419 /nfs/dbraw/zinc/21/24/19/817212419.db2.gz CVSSEUNSTPGEKC-ZFWWWQNUSA-N 2 0 341.431 -0.031 20 0 EBADRP C[C@H](C[N@H+](C)CCN1C(=O)CCC1=O)NC(=O)CCc1c[nH]cn1 ZINC001275573635 817253385 /nfs/dbraw/zinc/25/33/85/817253385.db2.gz FTNDYYUXZCQVFO-GFCCVEGCSA-N 2 0 335.408 -0.072 20 0 EBADRP CN(CCC[NH2+]CC(=O)NC(C)(C)C)C(=O)[C@H]1CN(C)CCO1 ZINC001275931694 817319389 /nfs/dbraw/zinc/31/93/89/817319389.db2.gz XJEIWKBAHFFUMB-CYBMUJFWSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+][C@H](C)C(=O)NC(N)=O)CC[N@@H+]1C ZINC001276013018 817339598 /nfs/dbraw/zinc/33/95/98/817339598.db2.gz ZKZIVKWFZVTSIS-FRRDWIJNSA-N 2 0 341.456 -0.262 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001276048729 817347791 /nfs/dbraw/zinc/34/77/91/817347791.db2.gz XBTCKGSBACNOEF-GFCCVEGCSA-N 2 0 341.456 -0.247 20 0 EBADRP O=C(C1=CNN2C=CNC=C12)N1CC2(C1)C[NH+](CC1CC[NH2+]CC1)C2 ZINC001276709507 817458380 /nfs/dbraw/zinc/45/83/80/817458380.db2.gz LAXUEVWUVWHMIJ-UHFFFAOYSA-N 2 0 342.447 -0.250 20 0 EBADRP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001090519450 817500932 /nfs/dbraw/zinc/50/09/32/817500932.db2.gz HMXYJIHBHVGPOB-KBPBESRZSA-N 2 0 325.409 -0.111 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001277026856 817511620 /nfs/dbraw/zinc/51/16/20/817511620.db2.gz JJPZGJZFYQDKCC-JHJVBQTASA-N 2 0 337.424 -0.883 20 0 EBADRP C[NH+](C)CCNC(=S)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001277452529 817571704 /nfs/dbraw/zinc/57/17/04/817571704.db2.gz UWDJVMRADNAPBG-KGLIPLIRSA-N 2 0 329.514 -0.631 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CC[N@H+](CCCF)C[C@H]2O)cn1 ZINC001090637219 817602689 /nfs/dbraw/zinc/60/26/89/817602689.db2.gz IUQFIBQGWGGNAS-HUUCEWRRSA-N 2 0 341.431 -0.031 20 0 EBADRP CNC(=O)CN1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](O)C1 ZINC001090642470 817605918 /nfs/dbraw/zinc/60/59/18/817605918.db2.gz XANOVJGIEZBRBW-HZPDHXFCSA-N 2 0 348.447 -0.341 20 0 EBADRP Cn1nnnc1NC(=O)[C@@H]1COCCC12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001277824022 817641422 /nfs/dbraw/zinc/64/14/22/817641422.db2.gz OETKXYHDOBOGCQ-ZDUSSCGKSA-N 2 0 349.439 -0.513 20 0 EBADRP CCC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+][C@H]1CCC(=O)NC1=O ZINC001277994924 817671504 /nfs/dbraw/zinc/67/15/04/817671504.db2.gz KYTGEQNURWXOQW-OLZOCXBDSA-N 2 0 326.441 -0.040 20 0 EBADRP C[NH+](C)CCN1C[C@@H]2C(C(=O)N3CCC([NH+](C)C)CC3)=NO[C@@H]2C1 ZINC001278046491 817685081 /nfs/dbraw/zinc/68/50/81/817685081.db2.gz OQZWVGMJJJTASP-LSDHHAIUSA-N 2 0 337.468 -0.213 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001278582732 817783493 /nfs/dbraw/zinc/78/34/93/817783493.db2.gz OWZILTPPUFPOJS-GUYCJALGSA-N 2 0 338.452 -0.040 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CCN2CCCC2=O)CC[N@@H+]1C ZINC001278756600 817812009 /nfs/dbraw/zinc/81/20/09/817812009.db2.gz SEHPXVBHKQTUGI-RBSFLKMASA-N 2 0 340.468 -0.642 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CCS(C)(=O)=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001278789767 817832325 /nfs/dbraw/zinc/83/23/25/817832325.db2.gz ACPKXUWTTJCALJ-ZDUSSCGKSA-N 2 0 349.497 -0.686 20 0 EBADRP CN(C[C@H](O)C[NH2+]CCNC(=O)C1CC1)C(=O)C1CC[NH+](C)CC1 ZINC001278803522 817840192 /nfs/dbraw/zinc/84/01/92/817840192.db2.gz AHXNJYRKEYLIBR-OAHLLOKOSA-N 2 0 340.468 -0.737 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2C[C@H]3C[N@H+](CCO)C[C@@]3(C)C2)n1 ZINC001091678321 818031699 /nfs/dbraw/zinc/03/16/99/818031699.db2.gz BQIIQHBNQAJXEP-PBHICJAKSA-N 2 0 335.452 -0.169 20 0 EBADRP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)[C@H]1CCC(=O)NC1=O ZINC001282486523 818440114 /nfs/dbraw/zinc/44/01/14/818440114.db2.gz QODXVURHAWLNRM-OLZOCXBDSA-N 2 0 326.441 -0.040 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC(=O)N(C3CN(CCCO)C3)C2)C1 ZINC001094809554 818501125 /nfs/dbraw/zinc/50/11/25/818501125.db2.gz MNGOAYYSKSQSTR-KBPBESRZSA-N 2 0 338.452 -0.888 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001283138740 818672414 /nfs/dbraw/zinc/67/24/14/818672414.db2.gz GQUYGSMNPFWHLP-ZIAGYGMSSA-N 2 0 326.441 -0.578 20 0 EBADRP CN1CC[C@@H]([NH2+]CCCOCCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1=O ZINC001283472996 818822665 /nfs/dbraw/zinc/82/26/65/818822665.db2.gz QYCXGVBTXXMDDX-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)[C@H](C[NH2+][C@H]1CCC(=O)NC1=O)C1CC1 ZINC001283553572 818853802 /nfs/dbraw/zinc/85/38/02/818853802.db2.gz NTBFAPXPDKXKCI-UONOGXRCSA-N 2 0 338.452 -0.040 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCNS(C)(=O)=O)CC[N@@H+]1C ZINC001283613394 818880453 /nfs/dbraw/zinc/88/04/53/818880453.db2.gz WUQPJDMLDFTGEL-HZSPNIEDSA-N 2 0 348.513 -0.298 20 0 EBADRP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCS(=O)(=O)N(C)C ZINC001283652139 818896168 /nfs/dbraw/zinc/89/61/68/818896168.db2.gz JAAJMZZQGKYAGF-ZIAGYGMSSA-N 2 0 348.513 -0.201 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCNC(=O)C1CC1 ZINC001283770862 818941266 /nfs/dbraw/zinc/94/12/66/818941266.db2.gz GAIJSWROGTUWTN-UONOGXRCSA-N 2 0 326.441 -0.936 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001283891451 819020767 /nfs/dbraw/zinc/02/07/67/819020767.db2.gz YOQKDRLMRPDICK-CQSZACIVSA-N 2 0 340.468 -0.377 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001283938794 819036349 /nfs/dbraw/zinc/03/63/49/819036349.db2.gz JZJPCRVSOWDUSN-GOEBONIOSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)CCC[NH+](C)C ZINC001284004980 819060082 /nfs/dbraw/zinc/06/00/82/819060082.db2.gz UUSXRUBWQOYKHE-CHWSQXEVSA-N 2 0 334.486 -0.544 20 0 EBADRP O=C([C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC([NH+](CCO)CCO)CC1 ZINC001098373643 819156791 /nfs/dbraw/zinc/15/67/91/819156791.db2.gz JDRCPQWEUDTLNN-HZPDHXFCSA-N 2 0 341.452 -0.873 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](CCO)CC(N)=O)CC2)CC[N@@H+]1C ZINC001098371316 819156858 /nfs/dbraw/zinc/15/68/58/819156858.db2.gz NSAHTQHOKWKOCF-LSDHHAIUSA-N 2 0 340.468 -0.513 20 0 EBADRP COC[C@@H](O)C[N@H+](CCO)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001098462416 819199592 /nfs/dbraw/zinc/19/95/92/819199592.db2.gz SRXHHAIWUGPKIF-INIZCTEOSA-N 2 0 345.484 -0.379 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC([NH+](CCO)CC(N)=O)CC1 ZINC001098479195 819208571 /nfs/dbraw/zinc/20/85/71/819208571.db2.gz WTFIQAFOCAIMGH-ZDUSSCGKSA-N 2 0 326.441 -0.759 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC([NH+](CCO)CC(N)=O)CC1 ZINC001098479194 819208997 /nfs/dbraw/zinc/20/89/97/819208997.db2.gz WTFIQAFOCAIMGH-CYBMUJFWSA-N 2 0 326.441 -0.759 20 0 EBADRP CCNC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001098480141 819210178 /nfs/dbraw/zinc/21/01/78/819210178.db2.gz RKEHYNGHBOLPCF-HNNXBMFYSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CCS(C)(=O)=O)CC[N@@H+]1C ZINC001284419064 819222995 /nfs/dbraw/zinc/22/29/95/819222995.db2.gz YJEGTRRGINBVQU-HZSPNIEDSA-N 2 0 349.497 -0.830 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC([NH+](CCO)CC(N)=O)CC1 ZINC001098570562 819249607 /nfs/dbraw/zinc/24/96/07/819249607.db2.gz DBAZAZFFLJVETE-OKILXGFUSA-N 2 0 340.468 -0.370 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC([NH+](CCO)CCOCCO)CC1 ZINC001098572650 819251952 /nfs/dbraw/zinc/25/19/52/819251952.db2.gz SPYHEPNAHSPHGA-UHFFFAOYSA-N 2 0 345.484 -0.379 20 0 EBADRP CN(CCOCC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001284870475 819382726 /nfs/dbraw/zinc/38/27/26/819382726.db2.gz QALGPMYBIBPBPP-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCOCC[NH2+][C@@H]1CCNC1=O ZINC001284878792 819387387 /nfs/dbraw/zinc/38/73/87/819387387.db2.gz VGUSKVADZBQXDJ-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001285881328 819805131 /nfs/dbraw/zinc/80/51/31/819805131.db2.gz VLLKSLJQEBRPSA-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)[C@@H](O)C2)cn1 ZINC001099871405 819805303 /nfs/dbraw/zinc/80/53/03/819805303.db2.gz CVNYPGOHJUTWHU-HOTGVXAUSA-N 2 0 349.479 -0.002 20 0 EBADRP Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099871546 819806666 /nfs/dbraw/zinc/80/66/66/819806666.db2.gz GWWBJRQRDPDHIA-HZPDHXFCSA-N 2 0 349.479 -0.002 20 0 EBADRP O=C(N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O)c1ccc2c[nH+]cn2c1 ZINC001099916889 819914261 /nfs/dbraw/zinc/91/42/61/819914261.db2.gz VGJHXFQVZRYWIJ-CVEARBPZSA-N 2 0 348.403 -0.492 20 0 EBADRP Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971929 819975360 /nfs/dbraw/zinc/97/53/60/819975360.db2.gz OFWUTUJVOQAELB-HZPDHXFCSA-N 2 0 349.479 -0.144 20 0 EBADRP CCn1cc(CC[N@@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C2)cn1 ZINC001099985445 819991111 /nfs/dbraw/zinc/99/11/11/819991111.db2.gz CLIXOEJBWZRYRU-HZPDHXFCSA-N 2 0 337.468 -0.051 20 0 EBADRP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001100047197 820120951 /nfs/dbraw/zinc/12/09/51/820120951.db2.gz ZAKQALRWTXDULT-HOTGVXAUSA-N 2 0 343.468 -0.721 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCc2ccnn2C)C[C@@H]1O ZINC001100063666 820144914 /nfs/dbraw/zinc/14/49/14/820144914.db2.gz AWQWXCMIXWVLCX-CVEARBPZSA-N 2 0 337.468 -0.144 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@H+](CCOCC2CC2)C[C@H]1O ZINC001100075058 820167591 /nfs/dbraw/zinc/16/75/91/820167591.db2.gz XTUOMPHABFOYDH-JKSUJKDBSA-N 2 0 343.468 -0.457 20 0 EBADRP CC[C@H](C(=O)NCC1CC([NH2+]CCN(C)S(C)(=O)=O)C1)[NH+](C)C ZINC001100442416 820423767 /nfs/dbraw/zinc/42/37/67/820423767.db2.gz GUKVIAOKYDIJOK-JXQTWKCFSA-N 2 0 348.513 -0.298 20 0 EBADRP C[NH+](C)CCCC(=O)NCC1CC([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001100621091 820488697 /nfs/dbraw/zinc/48/86/97/820488697.db2.gz LRQBDUANJOBETI-UHFFFAOYSA-N 2 0 339.440 -0.636 20 0 EBADRP C[NH+](C)CCC(=O)NCC1CC([NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001100637177 820496322 /nfs/dbraw/zinc/49/63/22/820496322.db2.gz FUKFSJOCSWXWHG-YMAMQOFZSA-N 2 0 340.468 -0.282 20 0 EBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001100686675 820511544 /nfs/dbraw/zinc/51/15/44/820511544.db2.gz MNAAMANYHMTKIF-WLYUNCDWSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@@H]([NH2+]C1CC(CNC(=O)COC2CC[NH+](C)CC2)C1)C(N)=O ZINC001100800023 820555697 /nfs/dbraw/zinc/55/56/97/820555697.db2.gz RPQVTRFOUPHRFK-PNESKVBLSA-N 2 0 326.441 -0.545 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC1CC([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001100867067 820583366 /nfs/dbraw/zinc/58/33/66/820583366.db2.gz FCDIKOLBYZCYCO-UHFFFAOYSA-N 2 0 342.484 -0.036 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC1CC([NH2+][C@H]2CCCNC2=O)C1 ZINC001100870914 820585597 /nfs/dbraw/zinc/58/55/97/820585597.db2.gz RNLDOMIUQYHDEC-RUXDESIVSA-N 2 0 326.441 -0.672 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+]CC(=O)NCCCOC)C1 ZINC001100901677 820593960 /nfs/dbraw/zinc/59/39/60/820593960.db2.gz IUASJCSTZRMVLY-UHFFFAOYSA-N 2 0 342.484 -0.035 20 0 EBADRP COCCOC[C@H](O)C[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100986098 820632545 /nfs/dbraw/zinc/63/25/45/820632545.db2.gz MNSTWADCTSUTNO-UYSNPLJNSA-N 2 0 343.468 -0.410 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001101036401 820661379 /nfs/dbraw/zinc/66/13/79/820661379.db2.gz PSGZXSZQWHYAMT-BPCQOVAHSA-N 2 0 339.440 -0.460 20 0 EBADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101431508 820788840 /nfs/dbraw/zinc/78/88/40/820788840.db2.gz QVXWDNSVJPKOEI-CJNGLKHVSA-N 2 0 326.441 -0.909 20 0 EBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102288384 821059064 /nfs/dbraw/zinc/05/90/64/821059064.db2.gz ANVMBZWVWZUNDH-VXGBXAGGSA-N 2 0 339.440 -0.793 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC(=O)NC)C[C@H]1C ZINC001102473992 821119045 /nfs/dbraw/zinc/11/90/45/821119045.db2.gz ZUJPFPUMEDHHPF-CHWSQXEVSA-N 2 0 341.456 -0.532 20 0 EBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001102514504 821135216 /nfs/dbraw/zinc/13/52/16/821135216.db2.gz ZGAATTCPEDKDBI-JHJVBQTASA-N 2 0 339.440 -0.793 20 0 EBADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580680 821163580 /nfs/dbraw/zinc/16/35/80/821163580.db2.gz GYLQLRMSBPIMEN-QLFBSQMISA-N 2 0 340.468 -0.615 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001103724446 821344411 /nfs/dbraw/zinc/34/44/11/821344411.db2.gz CMPUIRTXQADAKU-RBSFLKMASA-N 2 0 340.468 -0.486 20 0 EBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)COC1CC[NH+](C)CC1 ZINC001103584484 821331240 /nfs/dbraw/zinc/33/12/40/821331240.db2.gz WALCWTKETKKSPG-ZIAGYGMSSA-N 2 0 340.468 -0.343 20 0 EBADRP C[C@H]([NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001104625552 821523952 /nfs/dbraw/zinc/52/39/52/821523952.db2.gz RXBVSTURIAPZFQ-FRRDWIJNSA-N 2 0 341.456 -0.404 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC(n2cc(C[NH2+]C[C@H](C)O)nn2)C1 ZINC001105272586 821660308 /nfs/dbraw/zinc/66/03/08/821660308.db2.gz NGZKXDOWDMVHOS-LBPRGKRZSA-N 2 0 338.456 -0.138 20 0 EBADRP C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)CCCC[NH+](C)C)C2)nn1 ZINC001105362645 821720599 /nfs/dbraw/zinc/72/05/99/821720599.db2.gz GPPQSKTVEJCWBE-CYBMUJFWSA-N 2 0 338.456 -0.136 20 0 EBADRP CNC(=O)C[NH2+]C1CCC2(CC1)CN(C(=O)CC[NH+](C)C)CCO2 ZINC001105479052 821759890 /nfs/dbraw/zinc/75/98/90/821759890.db2.gz LLDUSYLDWHIFMQ-UHFFFAOYSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[C@H]1N(C(=O)CC[NH+](C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105660565 821789616 /nfs/dbraw/zinc/78/96/16/821789616.db2.gz WNZNUEYCWMAXJN-SRABZTEZSA-N 2 0 327.469 -0.104 20 0 EBADRP CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)[NH+](C)C ZINC001316623694 821819884 /nfs/dbraw/zinc/81/98/84/821819884.db2.gz HVWFFSVTLAIGLN-MJBXVCDLSA-N 2 0 338.452 -0.040 20 0 EBADRP CC(=O)NCCOCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001316778224 821856215 /nfs/dbraw/zinc/85/62/15/821856215.db2.gz JBONBDJZIZQJNE-KBMXLJTQSA-N 2 0 340.468 -0.188 20 0 EBADRP C[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)CCN1CCNC1=O ZINC001316858144 821895274 /nfs/dbraw/zinc/89/52/74/821895274.db2.gz CFXJBFUQZJQOEK-AWEZNQCLSA-N 2 0 325.457 -0.209 20 0 EBADRP O=C(N[C@@H]1CCC[N@@H+](CCOCCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001316945100 821928785 /nfs/dbraw/zinc/92/87/85/821928785.db2.gz PETAOQMOPSIDIQ-HZPDHXFCSA-N 2 0 325.453 -0.082 20 0 EBADRP CC(=O)NCCOCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001316992603 821965532 /nfs/dbraw/zinc/96/55/32/821965532.db2.gz RUNNBEATFWCFCM-HOTGVXAUSA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001317111545 822006451 /nfs/dbraw/zinc/00/64/51/822006451.db2.gz HJHHWYYOLWSIGT-RFQIPJPRSA-N 2 0 336.436 -0.097 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001105941914 822012916 /nfs/dbraw/zinc/01/29/16/822012916.db2.gz QAJHJRJQDBPCPG-KFWWJZLASA-N 2 0 337.468 -0.210 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001317332417 822085352 /nfs/dbraw/zinc/08/53/52/822085352.db2.gz BRFWYYILEUMDRC-CQSZACIVSA-N 2 0 325.457 -0.209 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001317334522 822086475 /nfs/dbraw/zinc/08/64/75/822086475.db2.gz BJBNMHNDOMRXJM-OLZOCXBDSA-N 2 0 334.486 -0.686 20 0 EBADRP CC[C@H](C(=O)N(C)CC[NH2+]CCN1CCCS1(=O)=O)[NH+](C)C ZINC001317654469 822192829 /nfs/dbraw/zinc/19/28/29/822192829.db2.gz LKKYOKPBQZHJCM-CYBMUJFWSA-N 2 0 334.486 -0.590 20 0 EBADRP CC(C)[C@H](C(=O)N(C)CC[NH2+]CC(=O)NC(N)=O)[NH+]1CCCCC1 ZINC001317664051 822197084 /nfs/dbraw/zinc/19/70/84/822197084.db2.gz IEGNHSARWJAHRU-CQSZACIVSA-N 2 0 341.456 -0.260 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106249257 822237833 /nfs/dbraw/zinc/23/78/33/822237833.db2.gz DSLBRVHQGVOCRB-QKCSRTOESA-N 2 0 339.440 -0.794 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001106623606 822303311 /nfs/dbraw/zinc/30/33/11/822303311.db2.gz WQFRUWHDOIMTNW-ZIAGYGMSSA-N 2 0 338.452 -0.229 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CCNS(C)(=O)=O)[C@H](C)C1 ZINC001106840117 822340151 /nfs/dbraw/zinc/34/01/51/822340151.db2.gz YWRNZUZRWHSPIR-ZIAGYGMSSA-N 2 0 348.513 -0.439 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCN(c3cccc(C[NH2+]CCO)n3)C2)C1 ZINC001128132294 828419726 /nfs/dbraw/zinc/41/97/26/828419726.db2.gz BXVOXBVIFNMZOM-ZBFHGGJFSA-N 2 0 347.463 -0.190 20 0 EBADRP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129204854 828580693 /nfs/dbraw/zinc/58/06/93/828580693.db2.gz MYGOSNMGRPZZBS-KFWWJZLASA-N 2 0 338.456 -0.004 20 0 EBADRP CC[C@@H](C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1)OC ZINC001129228106 828583671 /nfs/dbraw/zinc/58/36/71/828583671.db2.gz CKOSKQVXVXRPMA-ZNMIVQPWSA-N 2 0 338.456 -0.004 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129339562 828600388 /nfs/dbraw/zinc/60/03/88/828600388.db2.gz GPMIVURHBZCQDR-LBPRGKRZSA-N 2 0 327.429 -0.874 20 0 EBADRP COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129356057 828603259 /nfs/dbraw/zinc/60/32/59/828603259.db2.gz AWCPCHPDEZOLQQ-KGLIPLIRSA-N 2 0 331.457 -0.411 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129351093 828603405 /nfs/dbraw/zinc/60/34/05/828603405.db2.gz KOSLUUQQCLLAHK-LLVKDONJSA-N 2 0 327.429 -0.589 20 0 EBADRP C[NH+](C)C1(C(=O)NCC[NH2+]C[C@H](O)COC[C@H]2CCCO2)CCC1 ZINC001129363011 828604379 /nfs/dbraw/zinc/60/43/79/828604379.db2.gz DGTFLZBRLBIXGL-LSDHHAIUSA-N 2 0 343.468 -0.267 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129369797 828607679 /nfs/dbraw/zinc/60/76/79/828607679.db2.gz GQBAIYRZEWFKBD-ZNMIVQPWSA-N 2 0 338.456 -0.004 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C)C(=O)Nc1ncccn1 ZINC001129436193 828619097 /nfs/dbraw/zinc/61/90/97/828619097.db2.gz NEUKTKFYRIGXKD-DGCLKSJQSA-N 2 0 334.424 -0.150 20 0 EBADRP CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129433674 828619303 /nfs/dbraw/zinc/61/93/03/828619303.db2.gz LMYDKTVPWHIQQC-ZNMIVQPWSA-N 2 0 336.440 -0.392 20 0 EBADRP Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)[C@@H](C3CC3)[NH+](C)C)C2=O)cn1 ZINC001129444610 828619916 /nfs/dbraw/zinc/61/99/16/828619916.db2.gz WHVNQOHFANFXSS-LSDHHAIUSA-N 2 0 348.451 -0.429 20 0 EBADRP C[N@H+](CC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O)C1CCC1 ZINC001129535059 828632156 /nfs/dbraw/zinc/63/21/56/828632156.db2.gz HTRSKBUSOOULKW-UHFFFAOYSA-N 2 0 325.413 -0.882 20 0 EBADRP C[N@H+](CC(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)C1CCC1 ZINC001129531723 828630825 /nfs/dbraw/zinc/63/08/25/828630825.db2.gz HOPZDMJJMQQTLE-CYBMUJFWSA-N 2 0 346.497 -0.542 20 0 EBADRP C[N@H+](CC(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)C1CCC1 ZINC001129531724 828630960 /nfs/dbraw/zinc/63/09/60/828630960.db2.gz HOPZDMJJMQQTLE-ZDUSSCGKSA-N 2 0 346.497 -0.542 20 0 EBADRP CN(CC[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C)S(C)(=O)=O ZINC001129840441 828680421 /nfs/dbraw/zinc/68/04/21/828680421.db2.gz GHNGSFWWIHGMKD-CYBMUJFWSA-N 2 0 334.486 -0.542 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129950265 828699225 /nfs/dbraw/zinc/69/92/25/828699225.db2.gz PUYDTNNTNICZJB-KBPBESRZSA-N 2 0 330.473 -0.180 20 0 EBADRP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1)OC ZINC001129992318 828709884 /nfs/dbraw/zinc/70/98/84/828709884.db2.gz YLIDZPYKJKRQHY-ZNMIVQPWSA-N 2 0 338.456 -0.004 20 0 EBADRP CC(C)OCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129994361 828710058 /nfs/dbraw/zinc/71/00/58/828710058.db2.gz JWSCFMJDSIMYFL-CABCVRRESA-N 2 0 338.456 -0.004 20 0 EBADRP CCOCCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129994482 828710562 /nfs/dbraw/zinc/71/05/62/828710562.db2.gz QNDYIEJZJKIPMT-CABCVRRESA-N 2 0 338.456 -0.002 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+]C[C@H](C)OC)[C@@H](n2ccnn2)C1 ZINC001130047555 828721875 /nfs/dbraw/zinc/72/18/75/828721875.db2.gz GSMHBOYNVBEONO-ZNMIVQPWSA-N 2 0 338.456 -0.004 20 0 EBADRP O=C(N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)C12CC[NH+](CC1)C2 ZINC001130091288 828730342 /nfs/dbraw/zinc/73/03/42/828730342.db2.gz JROVAHIOJPJDTD-KGLIPLIRSA-N 2 0 334.424 -0.902 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2)C(=O)NC(N)=O ZINC001130173214 828745453 /nfs/dbraw/zinc/74/54/53/828745453.db2.gz BRAFFDNWKIKJKW-LLVKDONJSA-N 2 0 325.413 -0.848 20 0 EBADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130125349 828737402 /nfs/dbraw/zinc/73/74/02/828737402.db2.gz IXFKOPSPLOVIEA-ZNMIVQPWSA-N 2 0 336.440 -0.250 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NCC(C)C)[NH+](C)C ZINC001130200824 828754070 /nfs/dbraw/zinc/75/40/70/828754070.db2.gz OGSFFZKWOOIAOU-CHWSQXEVSA-N 2 0 343.472 -0.097 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130186134 828749479 /nfs/dbraw/zinc/74/94/79/828749479.db2.gz BHRIYXFAJBGDNR-NEPJUHHUSA-N 2 0 325.413 -0.835 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130189005 828752159 /nfs/dbraw/zinc/75/21/59/828752159.db2.gz LOSSEPZMBBTBAH-KGLIPLIRSA-N 2 0 346.497 -0.352 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130189006 828752307 /nfs/dbraw/zinc/75/23/07/828752307.db2.gz LOSSEPZMBBTBAH-UONOGXRCSA-N 2 0 346.497 -0.352 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F)[NH+](C)C ZINC001130203704 828755272 /nfs/dbraw/zinc/75/52/72/828755272.db2.gz UGOZSZLBWOKZJG-WDEREUQCSA-N 2 0 329.363 -0.028 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)[NH+](C)C ZINC001130205057 828755346 /nfs/dbraw/zinc/75/53/46/828755346.db2.gz FPBICTRWJRWFIS-UONOGXRCSA-N 2 0 336.440 -0.429 20 0 EBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130230582 828761459 /nfs/dbraw/zinc/76/14/59/828761459.db2.gz OCECBAGMYVYABB-UHFFFAOYSA-N 2 0 328.457 -0.425 20 0 EBADRP COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130304025 828778059 /nfs/dbraw/zinc/77/80/59/828778059.db2.gz QMYZMQOBHDJBLA-CQSZACIVSA-N 2 0 349.497 -0.372 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+][C@H](C)C(=O)NCCCOC ZINC001130421919 828827620 /nfs/dbraw/zinc/82/76/20/828827620.db2.gz ORQIIBGAEMWIQO-CYBMUJFWSA-N 2 0 330.473 -0.036 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CCCNS(=O)(=O)CC ZINC001130424812 828830108 /nfs/dbraw/zinc/83/01/08/828830108.db2.gz CHZQKGRUOYKGKQ-UHFFFAOYSA-N 2 0 336.502 -0.248 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001179852350 833017764 /nfs/dbraw/zinc/01/77/64/833017764.db2.gz LCHNPENENSLPIH-SRVKXCTJSA-N 2 0 327.429 -0.509 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001179925563 833026039 /nfs/dbraw/zinc/02/60/39/833026039.db2.gz RDBXPJKAICZUEW-IHRRRGAJSA-N 2 0 346.497 -0.544 20 0 EBADRP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001114467488 826257775 /nfs/dbraw/zinc/25/77/75/826257775.db2.gz ZIBBPSHWNFQIHO-KBXIAJHMSA-N 2 0 325.453 -0.228 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001114488562 826264465 /nfs/dbraw/zinc/26/44/65/826264465.db2.gz PDAMNFHDZWADRT-CZXHOFHRSA-N 2 0 336.436 -0.432 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001114732663 826326804 /nfs/dbraw/zinc/32/68/04/826326804.db2.gz LTOYKNQYZBGWHY-OSLXHZNNSA-N 2 0 325.453 -0.230 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CCNC(=O)C4CC4)C[C@H]32)C1 ZINC001114832431 826350611 /nfs/dbraw/zinc/35/06/11/826350611.db2.gz RHSJQHKYLVZVNJ-UTXMOHQDSA-N 2 0 334.464 -0.099 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001180131591 833045522 /nfs/dbraw/zinc/04/55/22/833045522.db2.gz HNUBLHIAFFZIEM-AVGNSLFASA-N 2 0 339.440 -0.495 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CCN(C)S(C)(=O)=O)C[C@H]21 ZINC001115081668 826415469 /nfs/dbraw/zinc/41/54/69/826415469.db2.gz VIPXUVFNZMBMAL-NHAGDIPZSA-N 2 0 346.497 -0.734 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21 ZINC001115125727 826427982 /nfs/dbraw/zinc/42/79/82/826427982.db2.gz BDMNVVFOYJWBKV-HALDLXJZSA-N 2 0 338.452 -0.767 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)C[NH+]1CCCC1 ZINC001180274559 833067401 /nfs/dbraw/zinc/06/74/01/833067401.db2.gz KCWLRHGSFIBRLI-UHFFFAOYSA-N 2 0 341.456 -0.196 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC2([NH2+]CC(N)=O)CCCCC2)C1 ZINC001115691137 826570866 /nfs/dbraw/zinc/57/08/66/826570866.db2.gz LOABXKSLFSOCOQ-CQSZACIVSA-N 2 0 340.468 -0.010 20 0 EBADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001118148224 826859864 /nfs/dbraw/zinc/85/98/64/826859864.db2.gz SNHWPXRECANZKA-CABCVRRESA-N 2 0 343.468 -0.280 20 0 EBADRP CC1(C)CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[NH2+]1 ZINC001118490865 826940560 /nfs/dbraw/zinc/94/05/60/826940560.db2.gz PKDDTCZMZKUJPW-AWEZNQCLSA-N 2 0 338.452 -0.434 20 0 EBADRP C[NH+]1CCN(C2CC[NH+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CC2)CC1 ZINC001119030906 827050760 /nfs/dbraw/zinc/05/07/60/827050760.db2.gz DUBVAHWTIRPAOI-INIZCTEOSA-N 3 0 337.512 -0.105 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CC1 ZINC001119354731 827101256 /nfs/dbraw/zinc/10/12/56/827101256.db2.gz LRFLBLKAZAKKLA-ONGXEEELSA-N 2 0 336.358 -0.208 20 0 EBADRP C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC001119402580 827105499 /nfs/dbraw/zinc/10/54/99/827105499.db2.gz QVMYXDSDCYLJPX-MWLCHTKSSA-N 2 0 336.358 -0.208 20 0 EBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC001119608636 827125575 /nfs/dbraw/zinc/12/55/75/827125575.db2.gz WCPUKKGXUKZKCF-HBNTYKKESA-N 2 0 336.358 -0.256 20 0 EBADRP COC[C@H](O)C[NH2+]C1(CNC(=O)COCC[NH+](C)C)CCCCC1 ZINC001120004905 827168498 /nfs/dbraw/zinc/16/84/98/827168498.db2.gz JGOZGJJKVUTQAX-OAHLLOKOSA-N 2 0 345.484 -0.019 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC001120515857 827238303 /nfs/dbraw/zinc/23/83/03/827238303.db2.gz VCAXADNNKGOORT-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001120652315 827252575 /nfs/dbraw/zinc/25/25/75/827252575.db2.gz DFNOCPRDHHHHMG-CYBMUJFWSA-N 2 0 342.440 -0.451 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2nncs2)C1 ZINC001181652944 833170672 /nfs/dbraw/zinc/17/06/72/833170672.db2.gz RXLIOZUBZMGVEN-MNOVXSKESA-N 2 0 338.437 -0.239 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2C[NH2+]CCN2C)CC1 ZINC001121996092 827499522 /nfs/dbraw/zinc/49/95/22/827499522.db2.gz CMGQSAWZOUPWAY-BRWVUGGUSA-N 2 0 337.512 -0.093 20 0 EBADRP COC[C@@H](O)C[NH2+]C1CC2(CC(NC(=O)COCC[NH+](C)C)C2)C1 ZINC001122063928 827513508 /nfs/dbraw/zinc/51/35/08/827513508.db2.gz PEZFXGGRCAZXNZ-LETWWHAPSA-N 2 0 343.468 -0.411 20 0 EBADRP C[NH+](C)CCOCC(=O)NC1CC2(C1)CC([NH2+][C@@H]1CCNC1=O)C2 ZINC001122063807 827513645 /nfs/dbraw/zinc/51/36/45/827513645.db2.gz OLFFCNAMXDNVQQ-OPFKTAGGSA-N 2 0 338.452 -0.530 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001182692454 833252343 /nfs/dbraw/zinc/25/23/43/833252343.db2.gz KFANBARFIYZJKB-GRYCIOLGSA-N 2 0 325.413 -0.898 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)NC(=O)NC1CC1 ZINC001124866466 827969057 /nfs/dbraw/zinc/96/90/57/827969057.db2.gz DFLFYRFSPWEEAU-JQWIXIFHSA-N 2 0 325.413 -0.837 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)NC(=O)NC(C)(C)C ZINC001124872553 827972376 /nfs/dbraw/zinc/97/23/76/827972376.db2.gz KFTUYXFUTYDKSC-RYUDHWBXSA-N 2 0 341.456 -0.201 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)NC(=O)NC(C)(C)C ZINC001124872551 827972395 /nfs/dbraw/zinc/97/23/95/827972395.db2.gz KFTUYXFUTYDKSC-NEPJUHHUSA-N 2 0 341.456 -0.201 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001183039435 833277738 /nfs/dbraw/zinc/27/77/38/833277738.db2.gz KBKRHJNGGAENBL-ZIAGYGMSSA-N 2 0 346.497 -0.400 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1)C(=O)NC(N)=O ZINC001183240542 833284702 /nfs/dbraw/zinc/28/47/02/833284702.db2.gz JZSMGMOOSWCHQV-WDEREUQCSA-N 2 0 325.413 -0.755 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001183391316 833289167 /nfs/dbraw/zinc/28/91/67/833289167.db2.gz OAIDWEBEQMNLJD-CHWSQXEVSA-N 2 0 339.440 -0.493 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1)[NH+](C)C ZINC001183592220 833296035 /nfs/dbraw/zinc/29/60/35/833296035.db2.gz OTIMYZJTUBGBTP-IJLUTSLNSA-N 2 0 327.429 -0.639 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001183581502 833296215 /nfs/dbraw/zinc/29/62/15/833296215.db2.gz LABFDMQXRKKLTI-CHWSQXEVSA-N 2 0 341.456 -0.247 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001183869156 833310017 /nfs/dbraw/zinc/31/00/17/833310017.db2.gz TWJJFCMQJOYRGA-OLZOCXBDSA-N 2 0 339.440 -0.508 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001183869155 833310163 /nfs/dbraw/zinc/31/01/63/833310163.db2.gz TWJJFCMQJOYRGA-CHWSQXEVSA-N 2 0 339.440 -0.508 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001127066614 828246903 /nfs/dbraw/zinc/24/69/03/828246903.db2.gz QPCIGVPOBQVMPO-CYBMUJFWSA-N 2 0 339.440 -0.447 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127257230 828269154 /nfs/dbraw/zinc/26/91/54/828269154.db2.gz WQAOWJJNKNLDEE-NWDGAFQWSA-N 2 0 325.413 -0.978 20 0 EBADRP O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127257522 828269187 /nfs/dbraw/zinc/26/91/87/828269187.db2.gz ZABAMIOUYGRSSL-STQMWFEESA-N 2 0 337.424 -0.882 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001127327256 828279154 /nfs/dbraw/zinc/27/91/54/828279154.db2.gz IVEOYOYWZCSKSU-NSHDSACASA-N 2 0 327.429 -0.460 20 0 EBADRP O=C(NCC[NH2+]CC[C@H]1CCS(=O)(=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001127480448 828297848 /nfs/dbraw/zinc/29/78/48/828297848.db2.gz KARVTZGNKYTRGL-DZGCQCFKSA-N 2 0 343.493 -0.141 20 0 EBADRP C[C@H](C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CS(C)(=O)=O ZINC001127481642 828298226 /nfs/dbraw/zinc/29/82/26/828298226.db2.gz VUEOXBLCXZSWIQ-OCCSQVGLSA-N 2 0 331.482 -0.285 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127575875 828303732 /nfs/dbraw/zinc/30/37/32/828303732.db2.gz CWWFSRCNYZNOIU-UHFFFAOYSA-N 2 0 338.456 -0.369 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1)C(=O)NC1CC1 ZINC001127562353 828303979 /nfs/dbraw/zinc/30/39/79/828303979.db2.gz IGRZXEARQJZNQA-GFCCVEGCSA-N 2 0 336.440 -0.569 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)Nc1ncccn1 ZINC001127639067 828309212 /nfs/dbraw/zinc/30/92/12/828309212.db2.gz TXCYIMRGFTWRDZ-YNEHKIRRSA-N 2 0 334.424 -0.150 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(=O)NC(=O)NC1CC1 ZINC001127659413 828312538 /nfs/dbraw/zinc/31/25/38/828312538.db2.gz AFQAJDZTTUTVRW-DMDPSCGWSA-N 2 0 339.440 -0.591 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779957 828328192 /nfs/dbraw/zinc/32/81/92/828328192.db2.gz UKRXOLQIRQHXRW-UONOGXRCSA-N 2 0 326.441 -0.578 20 0 EBADRP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001184424808 833330204 /nfs/dbraw/zinc/33/02/04/833330204.db2.gz MRJMGZKEJDLFOM-DGNOSDGRSA-N 2 0 339.436 -0.951 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2[NH2+]CCO)c1 ZINC001130654801 828907463 /nfs/dbraw/zinc/90/74/63/828907463.db2.gz VEROGYZQHZJMFD-DZGCQCFKSA-N 2 0 335.452 -0.362 20 0 EBADRP Cc1c(C(=O)NCC[NH2+]CCN2CCNC2=O)ccc2c[nH+]cn21 ZINC001130658669 828908364 /nfs/dbraw/zinc/90/83/64/828908364.db2.gz JNEJKFIBDLKEQN-UHFFFAOYSA-N 2 0 330.392 -0.013 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(N)=O)C1 ZINC001130706842 828918828 /nfs/dbraw/zinc/91/88/28/828918828.db2.gz WVKFOJRQQFNQAN-GXTWGEPZSA-N 2 0 336.440 -0.869 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130809856 828945359 /nfs/dbraw/zinc/94/53/59/828945359.db2.gz JNEDTSVEFNBHLE-UHFFFAOYSA-N 2 0 332.470 -0.740 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)C(=O)NC(N)=O ZINC001184806951 833340695 /nfs/dbraw/zinc/34/06/95/833340695.db2.gz MIMAKQAVJTZHKB-VXGBXAGGSA-N 2 0 339.440 -0.365 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130868105 828983337 /nfs/dbraw/zinc/98/33/37/828983337.db2.gz ZJFRDJYZNXDBCH-NSHDSACASA-N 2 0 346.391 -0.112 20 0 EBADRP C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185028814 833345374 /nfs/dbraw/zinc/34/53/74/833345374.db2.gz FKYMCOABHWBGTR-STQMWFEESA-N 2 0 341.456 -0.403 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001185158178 833348459 /nfs/dbraw/zinc/34/84/59/833348459.db2.gz OSDFVINMPJBEMH-MELADBBJSA-N 2 0 331.482 -0.048 20 0 EBADRP C[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCS(C)(=O)=O)C2)CC1 ZINC001185385900 833357210 /nfs/dbraw/zinc/35/72/10/833357210.db2.gz WOXGMOHBHMBDHA-CQSZACIVSA-N 2 0 331.482 -0.047 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001185408400 833357959 /nfs/dbraw/zinc/35/79/59/833357959.db2.gz RTDREPNIHSXQST-UONOGXRCSA-N 2 0 331.482 -0.047 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001185416414 833358452 /nfs/dbraw/zinc/35/84/52/833358452.db2.gz VCSMTHPYYGLVJM-ZIAGYGMSSA-N 2 0 331.482 -0.047 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001185492374 833360082 /nfs/dbraw/zinc/36/00/82/833360082.db2.gz OBJLDHADRYFCTB-KGLIPLIRSA-N 2 0 328.457 -0.615 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)CC[C@H]1C[NH2+]CCOCCO ZINC001185504797 833360541 /nfs/dbraw/zinc/36/05/41/833360541.db2.gz WVJLYLWBGAZNRB-CVEARBPZSA-N 2 0 345.484 -0.352 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1)[NH+](CC)CC ZINC001185608954 833362946 /nfs/dbraw/zinc/36/29/46/833362946.db2.gz ACHWEDUXZPONOH-KGLIPLIRSA-N 2 0 348.513 -0.154 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131375348 829118915 /nfs/dbraw/zinc/11/89/15/829118915.db2.gz ZCQQCCKHAGMPLW-UHFFFAOYSA-N 2 0 325.394 -0.797 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001185651085 833365065 /nfs/dbraw/zinc/36/50/65/833365065.db2.gz RBLLHPGBFSRRGU-UONOGXRCSA-N 2 0 346.497 -0.447 20 0 EBADRP Cn1nccc1CC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520023 829151810 /nfs/dbraw/zinc/15/18/10/829151810.db2.gz RHIWLMOJQQGJOR-GNHJJJEISA-N 2 0 333.436 -0.468 20 0 EBADRP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131525647 829153541 /nfs/dbraw/zinc/15/35/41/829153541.db2.gz DGLCQHIWKHAUDJ-XCCIUEIHSA-N 2 0 338.452 -0.530 20 0 EBADRP O=C(NCC[NH2+]C[C@H]1CCc2ncnn21)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131521790 829154173 /nfs/dbraw/zinc/15/41/73/829154173.db2.gz HSICVQGQSAULBL-YXXKGXSTSA-N 2 0 346.435 -0.666 20 0 EBADRP CC(C)(C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131525599 829154507 /nfs/dbraw/zinc/15/45/07/829154507.db2.gz BFHIBQQRYBTHCI-JZLYGMAVSA-N 2 0 338.452 -0.530 20 0 EBADRP C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@]2(CC[N@H+](CCCO)C2)O1 ZINC001131692522 829187505 /nfs/dbraw/zinc/18/75/05/829187505.db2.gz IDAGCXAWGOAXQW-RDJZCZTQSA-N 2 0 343.468 -0.361 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790811 829217872 /nfs/dbraw/zinc/21/78/72/829217872.db2.gz WHNNBQWNZSYDFQ-AAEUAGOBSA-N 2 0 339.440 -0.589 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131836887 829239615 /nfs/dbraw/zinc/23/96/15/829239615.db2.gz FKJOOIXPASGZGC-UHFFFAOYSA-N 2 0 327.429 -0.588 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131840606 829241964 /nfs/dbraw/zinc/24/19/64/829241964.db2.gz PTZAKEWXWZOLBO-OAHLLOKOSA-N 2 0 345.484 -0.019 20 0 EBADRP C[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+]1CCCCCC1 ZINC001186074962 833388140 /nfs/dbraw/zinc/38/81/40/833388140.db2.gz MMIAVLCXXGMMKU-QWHCGFSZSA-N 2 0 339.440 -0.364 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC([C@@H]2C[C@@H]([NH2+]CC(N)=O)CCO2)CC1 ZINC001186094013 833388356 /nfs/dbraw/zinc/38/83/56/833388356.db2.gz GSIUAEMKAKVXBY-GJZGRUSLSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C(C)(C)[NH+]2CCCC2)CCO1 ZINC001132283769 829405743 /nfs/dbraw/zinc/40/57/43/829405743.db2.gz IFGCEDMDNOGQFD-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132280424 829405854 /nfs/dbraw/zinc/40/58/54/829405854.db2.gz IIINOKLNNIJBOM-LBPRGKRZSA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)COCC[NH+](C)C)C[N@@H+]1CCn1cncn1 ZINC001132426284 829454255 /nfs/dbraw/zinc/45/42/55/829454255.db2.gz VEJUXJFUDKDXOC-CABCVRRESA-N 2 0 338.456 -0.175 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1)C(=O)N(C)C ZINC001186622826 833409953 /nfs/dbraw/zinc/40/99/53/833409953.db2.gz SDSXFNODMVIOIS-UONOGXRCSA-N 2 0 340.468 -0.236 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001132742741 829512806 /nfs/dbraw/zinc/51/28/06/829512806.db2.gz FUIJEGMJMXKZKN-NEPJUHHUSA-N 2 0 327.429 -0.602 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001132848345 829535274 /nfs/dbraw/zinc/53/52/74/829535274.db2.gz FZQLTHXUNYVBPH-UONOGXRCSA-N 2 0 326.441 -0.578 20 0 EBADRP CC(C)N1CC[C@H]([NH2+]CCNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1=O ZINC001132852109 829536729 /nfs/dbraw/zinc/53/67/29/829536729.db2.gz HYKCYFOZWLAIOB-GJZGRUSLSA-N 2 0 340.468 -0.189 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001132853354 829537899 /nfs/dbraw/zinc/53/78/99/829537899.db2.gz ZTOUHPSWLUEQEN-CABCVRRESA-N 2 0 339.440 -0.941 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001132859086 829538965 /nfs/dbraw/zinc/53/89/65/829538965.db2.gz VHTUKXJLOSSPNJ-AWEZNQCLSA-N 2 0 326.441 -0.672 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)CC[N@@H+]1C ZINC001132886701 829544523 /nfs/dbraw/zinc/54/45/23/829544523.db2.gz RTQDEVXODUHCBD-SOUVJXGZSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)C[C@H](C)O1 ZINC001132995590 829568716 /nfs/dbraw/zinc/56/87/16/829568716.db2.gz ZUKWUHYRZOVUGJ-KBPBESRZSA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001132994800 829568914 /nfs/dbraw/zinc/56/89/14/829568914.db2.gz BZMQHTBWMZMDKQ-CYBMUJFWSA-N 2 0 346.497 -0.685 20 0 EBADRP COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132994749 829569272 /nfs/dbraw/zinc/56/92/72/829569272.db2.gz ALWVJCGUPKEYIL-UONOGXRCSA-N 2 0 331.457 -0.554 20 0 EBADRP C[NH+](C)CCCC(=O)NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001133051407 829577400 /nfs/dbraw/zinc/57/74/00/829577400.db2.gz FUGQIOIRECAXKC-GJZGRUSLSA-N 2 0 331.457 -0.410 20 0 EBADRP Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)CCC[NH+](C)C)C2=O)cn1 ZINC001133051863 829578580 /nfs/dbraw/zinc/57/85/80/829578580.db2.gz SELVSEICLIIFRZ-AWEZNQCLSA-N 2 0 336.440 -0.427 20 0 EBADRP C[C@H]1CCN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001133245457 829610553 /nfs/dbraw/zinc/61/05/53/829610553.db2.gz FFWYSIRCGPZAGL-LSDHHAIUSA-N 2 0 342.484 -0.273 20 0 EBADRP C[NH+]1CCC(C(=O)NCC[NH2+]C[C@@H](O)COC2CCOCC2)CC1 ZINC001133285866 829614933 /nfs/dbraw/zinc/61/49/33/829614933.db2.gz LXZCBAZEVORLDD-OAHLLOKOSA-N 2 0 343.468 -0.410 20 0 EBADRP Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)C3CC[NH+](C)CC3)C2=O)cn1 ZINC001133281623 829614956 /nfs/dbraw/zinc/61/49/56/829614956.db2.gz FEQNIKRHVCQGQL-OAHLLOKOSA-N 2 0 348.451 -0.427 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C1CC[NH+](C)CC1)C(=O)Nc1ncccn1 ZINC001133288504 829615780 /nfs/dbraw/zinc/61/57/80/829615780.db2.gz YJHWJTOONGFYGG-LBPRGKRZSA-N 2 0 334.424 -0.149 20 0 EBADRP C[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)CC1 ZINC001133286980 829616012 /nfs/dbraw/zinc/61/60/12/829616012.db2.gz AQFUJOVYNAGMQM-CQSZACIVSA-N 2 0 326.441 -0.671 20 0 EBADRP CC(C)[C@H](C(=O)NCC[NH2+]CC(=O)NCC(F)(F)F)[NH+](C)C ZINC001133415861 829630084 /nfs/dbraw/zinc/63/00/84/829630084.db2.gz RMYXHPCEFKQXFQ-LLVKDONJSA-N 2 0 326.363 -0.043 20 0 EBADRP CC(C)[C@H](C(=O)NCC[NH2+]CC(=O)NC1CCOCC1)[NH+](C)C ZINC001133415602 829630191 /nfs/dbraw/zinc/63/01/91/829630191.db2.gz GNNJGJZCGFEPAQ-OAHLLOKOSA-N 2 0 328.457 -0.426 20 0 EBADRP CC(C)[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1)[NH+](C)C ZINC001133415750 829630403 /nfs/dbraw/zinc/63/04/03/829630403.db2.gz MSQDIYOWODJXRM-UKRRQHHQSA-N 2 0 328.457 -0.426 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)[NH+](CC)CC ZINC001133683908 829661049 /nfs/dbraw/zinc/66/10/49/829661049.db2.gz AOXQXSFHFIAIMX-ZDUSSCGKSA-N 2 0 336.502 -0.296 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC001133823276 829679634 /nfs/dbraw/zinc/67/96/34/829679634.db2.gz AKVVRFMXELYJPD-HIFRSBDPSA-N 2 0 348.451 -0.285 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001133831906 829680744 /nfs/dbraw/zinc/68/07/44/829680744.db2.gz WMJJEXNIFHVXAL-ZDUSSCGKSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C)C(=O)NC(=O)NC1CC1 ZINC001133834236 829680896 /nfs/dbraw/zinc/68/08/96/829680896.db2.gz RSVMWEZMTRKLNM-NEPJUHHUSA-N 2 0 339.440 -0.447 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133834259 829681319 /nfs/dbraw/zinc/68/13/19/829681319.db2.gz SHWBMVZHFAKMKB-QWHCGFSZSA-N 2 0 341.456 -0.201 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133834258 829681392 /nfs/dbraw/zinc/68/13/92/829681392.db2.gz SHWBMVZHFAKMKB-OLZOCXBDSA-N 2 0 341.456 -0.201 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133846330 829685661 /nfs/dbraw/zinc/68/56/61/829685661.db2.gz YZDXGUIJXKVMCJ-GFCCVEGCSA-N 2 0 327.429 -0.730 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133850689 829686782 /nfs/dbraw/zinc/68/67/82/829686782.db2.gz QAHQHNUCAXALIG-ZIAGYGMSSA-N 2 0 328.457 -0.425 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)NC(=O)NC1CC1 ZINC001133849609 829687220 /nfs/dbraw/zinc/68/72/20/829687220.db2.gz AMFFHENVGFPYMO-RYUDHWBXSA-N 2 0 339.440 -0.589 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCCNC(=O)C(F)(F)F ZINC001133869932 829690645 /nfs/dbraw/zinc/69/06/45/829690645.db2.gz OBDNJUUKUWQUJV-GHMZBOCLSA-N 2 0 338.374 -0.042 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCCNC(=O)C(F)(F)F ZINC001133869935 829690971 /nfs/dbraw/zinc/69/09/71/829690971.db2.gz OBDNJUUKUWQUJV-WDEREUQCSA-N 2 0 338.374 -0.042 20 0 EBADRP COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133896725 829694964 /nfs/dbraw/zinc/69/49/64/829694964.db2.gz QLMNTYWNSMCHMQ-GJZGRUSLSA-N 2 0 345.484 -0.164 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001133894050 829695027 /nfs/dbraw/zinc/69/50/27/829695027.db2.gz UYEJUZHLXAZTKQ-UHFFFAOYSA-N 2 0 326.441 -0.717 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)Nc1ccccc1C(N)=O)[NH+](C)C ZINC001133963380 829706882 /nfs/dbraw/zinc/70/68/82/829706882.db2.gz TVIHSRJXTRWJMM-AWEZNQCLSA-N 2 0 349.435 -0.230 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)Cc1cnn(C)c1)[NH+](C)C ZINC001133965705 829706986 /nfs/dbraw/zinc/70/69/86/829706986.db2.gz GLGYBZUZVUEPLQ-AWEZNQCLSA-N 2 0 338.456 -0.576 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F)[NH+](C)C ZINC001133966024 829707991 /nfs/dbraw/zinc/70/79/91/829707991.db2.gz UGOZSZLBWOKZJG-MNOVXSKESA-N 2 0 329.363 -0.028 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+]CCCN1C(=O)NC(C)(C)C1=O)[NH+](C)C ZINC001133967962 829708050 /nfs/dbraw/zinc/70/80/50/829708050.db2.gz IXLYBWYEAZZFIN-LBPRGKRZSA-N 2 0 341.456 -0.247 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001133968069 829708079 /nfs/dbraw/zinc/70/80/79/829708079.db2.gz MTYGXBARDGXWTQ-PWSUYJOCSA-N 2 0 327.429 -0.591 20 0 EBADRP C[C@@H](COCC(=O)NCC[NH2+]CCNC(=O)C1CC1)[NH+]1CCCC1 ZINC001134020496 829713379 /nfs/dbraw/zinc/71/33/79/829713379.db2.gz CCSNYWZEBMJSGT-AWEZNQCLSA-N 2 0 340.468 -0.281 20 0 EBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001134021256 829714602 /nfs/dbraw/zinc/71/46/02/829714602.db2.gz WHKZAFRCPJJMBL-OAHLLOKOSA-N 2 0 342.484 -0.035 20 0 EBADRP C[N@@H+]1C[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)[C@@H](c2ccccc2)C1 ZINC001134126274 829729638 /nfs/dbraw/zinc/72/96/38/829729638.db2.gz IYWUHOSLOOEDHM-KGLIPLIRSA-N 2 0 347.419 -0.768 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134774270 829844056 /nfs/dbraw/zinc/84/40/56/829844056.db2.gz WZQRUOSPZSEUSW-WDEREUQCSA-N 2 0 329.445 -0.216 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858843 829859212 /nfs/dbraw/zinc/85/92/12/829859212.db2.gz ZCMRWEZUPGHANV-NWDGAFQWSA-N 2 0 339.440 -0.317 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)N1CCOCC1 ZINC001135095204 829897408 /nfs/dbraw/zinc/89/74/08/829897408.db2.gz AHHBSXLWXFICCZ-LSDHHAIUSA-N 2 0 338.452 -0.432 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135297848 829941619 /nfs/dbraw/zinc/94/16/19/829941619.db2.gz IDUQPNWXVLPVGF-NEPJUHHUSA-N 2 0 341.456 -0.343 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135314758 829943979 /nfs/dbraw/zinc/94/39/79/829943979.db2.gz GQWGWBCKKIYVNS-VXGBXAGGSA-N 2 0 329.445 -0.343 20 0 EBADRP COCCCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135370815 829955198 /nfs/dbraw/zinc/95/51/98/829955198.db2.gz BDCLBVMRQAPSGE-KGLIPLIRSA-N 2 0 330.473 -0.036 20 0 EBADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)C(C)C ZINC001135474318 829973077 /nfs/dbraw/zinc/97/30/77/829973077.db2.gz NEJVBFAVPOKVHJ-CQSZACIVSA-N 2 0 341.456 -0.390 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001135706238 830013052 /nfs/dbraw/zinc/01/30/52/830013052.db2.gz QOTYERZWAKKGMN-STQMWFEESA-N 2 0 341.456 -0.247 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001135706432 830014177 /nfs/dbraw/zinc/01/41/77/830014177.db2.gz UTINZUVXAGHJLU-OLZOCXBDSA-N 2 0 336.502 -0.250 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135710110 830014314 /nfs/dbraw/zinc/01/43/14/830014314.db2.gz UEKMHCYUAJYXMZ-HNNXBMFYSA-N 2 0 342.484 -0.035 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]Cc1ncnn1C)NC(=O)COCC[NH+](C)C ZINC001135923049 830047063 /nfs/dbraw/zinc/04/70/63/830047063.db2.gz GKLGJPWLNKCTQE-CHWSQXEVSA-N 2 0 326.445 -0.234 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001135937978 830048370 /nfs/dbraw/zinc/04/83/70/830048370.db2.gz CHEIPVSBCIJVSU-NEPJUHHUSA-N 2 0 336.440 -0.423 20 0 EBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)COC2CC[NH+](C)CC2)C1=O ZINC001135959293 830051630 /nfs/dbraw/zinc/05/16/30/830051630.db2.gz NMBDIYPVPRETCA-CQSZACIVSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]CC(=O)NCC(C)(C)C)CC1 ZINC001135959065 830052433 /nfs/dbraw/zinc/05/24/33/830052433.db2.gz JXXSSQAVXHPTDI-UHFFFAOYSA-N 2 0 342.484 -0.035 20 0 EBADRP CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135963276 830053709 /nfs/dbraw/zinc/05/37/09/830053709.db2.gz DHEGEXJWAKVUTB-CQSZACIVSA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CCCC[NH+](C)C ZINC001135967517 830054346 /nfs/dbraw/zinc/05/43/46/830054346.db2.gz VNLBWHKSOQKALG-NWDGAFQWSA-N 2 0 329.445 -0.214 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001135995805 830057720 /nfs/dbraw/zinc/05/77/20/830057720.db2.gz LCFBKATYZVUBSG-VXGBXAGGSA-N 2 0 329.445 -0.214 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211269740 837420013 /nfs/dbraw/zinc/42/00/13/837420013.db2.gz VCSRRVXMTAGMHS-CYBMUJFWSA-N 2 0 341.456 -0.247 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCCC1)[NH2+]CCN1C(=O)CNC1=O ZINC001146408398 830196511 /nfs/dbraw/zinc/19/65/11/830196511.db2.gz IQOKJFLHLAAIBO-OLZOCXBDSA-N 2 0 339.440 -0.493 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CC[NH+]1CCCCC1 ZINC001146613170 830212537 /nfs/dbraw/zinc/21/25/37/830212537.db2.gz ROKBZRMLZHUDHP-CHWSQXEVSA-N 2 0 341.456 -0.070 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001146711513 830222372 /nfs/dbraw/zinc/22/23/72/830222372.db2.gz ULFSMAMALMZXDL-LLVKDONJSA-N 2 0 327.429 -0.589 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001147333733 830323299 /nfs/dbraw/zinc/32/32/99/830323299.db2.gz WZTSHEZWZOWLMA-UHFFFAOYSA-N 2 0 339.440 -0.730 20 0 EBADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001147359328 830328092 /nfs/dbraw/zinc/32/80/92/830328092.db2.gz OKCKGHMNTDIUEN-STQMWFEESA-N 2 0 341.456 -0.070 20 0 EBADRP C[NH+](C)[C@](C)(C(=O)NCC[NH2+]CC(=O)NC(N)=O)c1ccccc1 ZINC001147409640 830337004 /nfs/dbraw/zinc/33/70/04/830337004.db2.gz GHKCIKUEHDWVHW-INIZCTEOSA-N 2 0 335.408 -0.636 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001147409426 830337354 /nfs/dbraw/zinc/33/73/54/830337354.db2.gz CURUDEDSHOCVRG-QGZVFWFLSA-N 2 0 349.435 -0.375 20 0 EBADRP C[NH+](C)[C@](C)(C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O)c1ccccc1 ZINC001147410799 830338764 /nfs/dbraw/zinc/33/87/64/830338764.db2.gz VQOPJBWGKBUPCV-KSSFIOAISA-N 2 0 346.431 -0.026 20 0 EBADRP CCCN(CCC)C(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147841816 830418383 /nfs/dbraw/zinc/41/83/83/830418383.db2.gz IZDTWUPBAWFGCS-UHFFFAOYSA-N 2 0 330.473 -0.081 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C(=O)Nc1nccs1 ZINC001147847909 830421453 /nfs/dbraw/zinc/42/14/53/830421453.db2.gz ACZSMOVYONXMSP-NSHDSACASA-N 2 0 343.453 -0.246 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147877582 830425096 /nfs/dbraw/zinc/42/50/96/830425096.db2.gz MFMRUTDBRTXJIG-NWDGAFQWSA-N 2 0 327.429 -0.732 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F)C1 ZINC001147886311 830425786 /nfs/dbraw/zinc/42/57/86/830425786.db2.gz UDPZPXOQFLIMTM-NEPJUHHUSA-N 2 0 341.374 -0.026 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001147891498 830425849 /nfs/dbraw/zinc/42/58/49/830425849.db2.gz AGLHHUBMUUPOKO-AWEZNQCLSA-N 2 0 326.441 -0.576 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001147885970 830425866 /nfs/dbraw/zinc/42/58/66/830425866.db2.gz QRANKUDOSPVAKO-UONOGXRCSA-N 2 0 346.497 -0.685 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001147886603 830426029 /nfs/dbraw/zinc/42/60/29/830426029.db2.gz YMVGAEHUZUCCRI-NSHDSACASA-N 2 0 325.413 -0.978 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)Nc1ncccn1 ZINC001147885864 830426237 /nfs/dbraw/zinc/42/62/37/830426237.db2.gz PXAFJGKMGIOCCO-QWHCGFSZSA-N 2 0 334.424 -0.149 20 0 EBADRP COc1coc(C[NH2+]CCNC(=O)COCC[NH+](C)C)cc1=O ZINC001147893005 830427337 /nfs/dbraw/zinc/42/73/37/830427337.db2.gz NJZUXXZRKNRLKZ-UHFFFAOYSA-N 2 0 327.381 -0.568 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001147900766 830428529 /nfs/dbraw/zinc/42/85/29/830428529.db2.gz VOYAUKKMUVGLBB-KGLIPLIRSA-N 2 0 326.441 -0.813 20 0 EBADRP Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)C34CC[NH+](CC3)C4)C2=O)cn1 ZINC001147995100 830435559 /nfs/dbraw/zinc/43/55/59/830435559.db2.gz YUKXWHSJMOVUPN-AWEZNQCLSA-N 2 0 346.435 -0.673 20 0 EBADRP O=C(NCC[NH2+][C@H]1CCN(CC(F)(F)F)C1=O)C12CC[NH+](CC1)C2 ZINC001147994388 830435867 /nfs/dbraw/zinc/43/58/67/830435867.db2.gz GIRIJVFOZXCOSH-NSHDSACASA-N 2 0 348.369 -0.049 20 0 EBADRP O=C(NCC[NH2+]C[C@@H](O)COCc1ccco1)C12CC[NH+](CC1)C2 ZINC001147999693 830436239 /nfs/dbraw/zinc/43/62/39/830436239.db2.gz CRSIJFMZFGIDLH-CQSZACIVSA-N 2 0 337.420 -0.041 20 0 EBADRP C[NH+](C)CCCCC(=O)NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001148365563 830477101 /nfs/dbraw/zinc/47/71/01/830477101.db2.gz SOZHPXSQQATNBB-JKSUJKDBSA-N 2 0 345.484 -0.019 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001148572681 830512625 /nfs/dbraw/zinc/51/26/25/830512625.db2.gz IZBSRGBBYAKMQS-AWEZNQCLSA-N 2 0 348.513 -0.294 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001148611775 830517007 /nfs/dbraw/zinc/51/70/07/830517007.db2.gz NBPCDYBZFCQOEC-GFCCVEGCSA-N 2 0 349.435 -0.800 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001149881606 830774388 /nfs/dbraw/zinc/77/43/88/830774388.db2.gz PILSDJJARFWVTQ-XHSDSOJGSA-N 2 0 345.484 -0.213 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCOCCO)CCCO1 ZINC001149888007 830776127 /nfs/dbraw/zinc/77/61/27/830776127.db2.gz ITSPZOZPMQWCSN-HZPDHXFCSA-N 2 0 343.468 -0.313 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCOCCO)CCCO1 ZINC001149888008 830776235 /nfs/dbraw/zinc/77/62/35/830776235.db2.gz ITSPZOZPMQWCSN-JKSUJKDBSA-N 2 0 343.468 -0.313 20 0 EBADRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](C[C@H](O)COC)CCCO1)[NH+](C)C ZINC001149889475 830777548 /nfs/dbraw/zinc/77/75/48/830777548.db2.gz OHPCEENIWBOSNC-RRFJBIMHSA-N 2 0 331.457 -0.459 20 0 EBADRP O=C(CCn1ccnc1)NC[C@@H]1C[N@H+](CCOCCO)CCCO1 ZINC001150052811 830805691 /nfs/dbraw/zinc/80/56/91/830805691.db2.gz AWKSLXWMKSXGNU-OAHLLOKOSA-N 2 0 340.424 -0.511 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001150099601 830819426 /nfs/dbraw/zinc/81/94/26/830819426.db2.gz HPDCFZNXVMGOQV-OAGGEKHMSA-N 2 0 343.468 -0.315 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150193742 830834553 /nfs/dbraw/zinc/83/45/53/830834553.db2.gz OSAQLGRDQRGGGA-CABCVRRESA-N 2 0 343.468 -0.457 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCOCCO)CCCO2)CC1 ZINC001150218237 830841348 /nfs/dbraw/zinc/84/13/48/830841348.db2.gz FJTUGHDWEDFZCK-MRXNPFEDSA-N 2 0 343.468 -0.456 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001150219275 830843036 /nfs/dbraw/zinc/84/30/36/830843036.db2.gz NUEDBTZBFQXHDZ-HOTGVXAUSA-N 2 0 343.468 -0.457 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CCOCCO)CCCO1 ZINC001150318603 830861676 /nfs/dbraw/zinc/86/16/76/830861676.db2.gz SFIKYGNBCXGECO-JKSUJKDBSA-N 2 0 343.468 -0.313 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@H](O)COC)CCCO1 ZINC001150546569 830929258 /nfs/dbraw/zinc/92/92/58/830929258.db2.gz GMDSGSGELZZDOC-LSDHHAIUSA-N 2 0 331.457 -0.457 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[NH+](CCOCCO)CCCO2)C1 ZINC001150586826 830938831 /nfs/dbraw/zinc/93/88/31/830938831.db2.gz AYFZFOHRMDMZRI-HOTGVXAUSA-N 2 0 343.468 -0.456 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2cc(=O)n3ccsc3n2)C1 ZINC001151049700 831016649 /nfs/dbraw/zinc/01/66/49/831016649.db2.gz WMQPWBNYVKNRQE-LLVKDONJSA-N 2 0 335.433 -0.087 20 0 EBADRP Cn1ccc(N2CCC[C@@H]([NH2+]CCNC(=O)[C@@H]3CC[N@H+](C)C3)C2=O)n1 ZINC001151066510 831019309 /nfs/dbraw/zinc/01/93/09/831019309.db2.gz VFAVWJCXHSMNQG-ZIAGYGMSSA-N 2 0 348.451 -0.427 20 0 EBADRP Cn1cc(N2CCC[C@@H]([NH2+]CCNC(=O)[C@@H]3CC[N@H+](C)C3)C2=O)cn1 ZINC001151066989 831020182 /nfs/dbraw/zinc/02/01/82/831020182.db2.gz ZTJJUFYZIHHLAQ-UKRRQHHQSA-N 2 0 348.451 -0.427 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001151064928 831020756 /nfs/dbraw/zinc/02/07/56/831020756.db2.gz FZIFOOPWBQOKAW-KGLIPLIRSA-N 2 0 329.441 -0.800 20 0 EBADRP CS(=O)(=O)N1CC[C@@H](C[NH2+]CCNC(=O)C[NH+]2CCCC2)C1 ZINC001151096769 831024581 /nfs/dbraw/zinc/02/45/81/831024581.db2.gz GBPGYEBHXUDYJF-ZDUSSCGKSA-N 2 0 332.470 -0.931 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCOC[C@H]1CCCO1 ZINC001151156506 831034206 /nfs/dbraw/zinc/03/42/06/831034206.db2.gz DWANACLLIWMHMC-JKSUJKDBSA-N 2 0 343.468 -0.144 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001151157949 831034667 /nfs/dbraw/zinc/03/46/67/831034667.db2.gz NNNVFCJGBKOMGG-JKSUJKDBSA-N 2 0 343.468 -0.144 20 0 EBADRP C[C@@H](NC(=O)C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001151156722 831034886 /nfs/dbraw/zinc/03/48/86/831034886.db2.gz GNWKGBFOGAXXMA-UONOGXRCSA-N 2 0 340.468 -0.425 20 0 EBADRP CC(C)COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151156467 831035148 /nfs/dbraw/zinc/03/51/48/831035148.db2.gz DEDXQJIWGCLFQI-HOTGVXAUSA-N 2 0 345.484 -0.306 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCCO[C@H]1CCOC1 ZINC001151157947 831035193 /nfs/dbraw/zinc/03/51/93/831035193.db2.gz NNNVFCJGBKOMGG-HOTGVXAUSA-N 2 0 343.468 -0.144 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCOC[C@@H]1CCCO1 ZINC001151156503 831035418 /nfs/dbraw/zinc/03/54/18/831035418.db2.gz DWANACLLIWMHMC-CVEARBPZSA-N 2 0 343.468 -0.144 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151160822 831035762 /nfs/dbraw/zinc/03/57/62/831035762.db2.gz ZIHVNPPSDRYOTE-AWEZNQCLSA-N 2 0 328.457 -0.473 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001151160626 831036676 /nfs/dbraw/zinc/03/66/76/831036676.db2.gz WUUPSCQUIUFGHC-LBPRGKRZSA-N 2 0 339.396 -0.713 20 0 EBADRP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151159959 831037188 /nfs/dbraw/zinc/03/71/88/831037188.db2.gz VRZVISGZVCTJME-KBPBESRZSA-N 2 0 328.457 -0.425 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001152147983 831133946 /nfs/dbraw/zinc/13/39/46/831133946.db2.gz NRJGMXJZQYQVAE-CHWSQXEVSA-N 2 0 339.440 -0.493 20 0 EBADRP O=C(CC[NH+]1CCCCC1)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001152348941 831154464 /nfs/dbraw/zinc/15/44/64/831154464.db2.gz TXSGTONVYRSIQH-UHFFFAOYSA-N 2 0 325.413 -0.880 20 0 EBADRP CC[N@H+](CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152392278 831156829 /nfs/dbraw/zinc/15/68/29/831156829.db2.gz KVKXIZPMHWWMJY-OLZOCXBDSA-N 2 0 339.440 -0.541 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001152451703 831164037 /nfs/dbraw/zinc/16/40/37/831164037.db2.gz DXMZETWYXHZGPY-CYBMUJFWSA-N 2 0 339.440 -0.445 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001152446463 831164047 /nfs/dbraw/zinc/16/40/47/831164047.db2.gz ZCBKSPHFUWYJRV-KBPBESRZSA-N 2 0 328.457 -0.284 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC001152445652 831164345 /nfs/dbraw/zinc/16/43/45/831164345.db2.gz LYJGDLYWZAOOGZ-UHFFFAOYSA-N 2 0 341.456 -0.247 20 0 EBADRP CC[N@H+](CCN1C(=O)CCC1=O)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155011059 831380528 /nfs/dbraw/zinc/38/05/28/831380528.db2.gz FKYABZBDEAJCJL-CYBMUJFWSA-N 2 0 326.441 -0.086 20 0 EBADRP Cn1ccc(N2CC[C@H]([NH2+]CCCNC(=O)[C@@H]3CCC[N@@H+]3C)C2=O)n1 ZINC001155813680 831432446 /nfs/dbraw/zinc/43/24/46/831432446.db2.gz TWDPBEBOJWLXMD-KBPBESRZSA-N 2 0 348.451 -0.285 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001155814505 831433301 /nfs/dbraw/zinc/43/33/01/831433301.db2.gz YOOFRPBKPUBJHJ-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155822492 831433721 /nfs/dbraw/zinc/43/37/21/831433721.db2.gz RZTVVJZYHRDBRO-STQMWFEESA-N 2 0 341.456 -0.201 20 0 EBADRP CC[N@H+](CCNC(=O)C1CC1)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156390796 831473516 /nfs/dbraw/zinc/47/35/16/831473516.db2.gz XJHXHVHUHJAFMV-CQSZACIVSA-N 2 0 342.484 -0.083 20 0 EBADRP CC[N@H+](CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156890635 831512609 /nfs/dbraw/zinc/51/26/09/831512609.db2.gz QYIYVEYPOBXQMP-CHWSQXEVSA-N 2 0 339.440 -0.684 20 0 EBADRP CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001157082981 831533503 /nfs/dbraw/zinc/53/35/03/831533503.db2.gz RKCBCNZPHQQKEN-KBPBESRZSA-N 2 0 349.435 -0.126 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001157324543 831553923 /nfs/dbraw/zinc/55/39/23/831553923.db2.gz ZWUAAKYTJZFKMR-DVOMOZLQSA-N 2 0 326.441 -0.495 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)C(=O)N1CCCC1 ZINC001157370825 831562176 /nfs/dbraw/zinc/56/21/76/831562176.db2.gz IISAPNILTXSORD-KBPBESRZSA-N 3 0 337.468 -0.968 20 0 EBADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC1 ZINC001157448665 831566351 /nfs/dbraw/zinc/56/63/51/831566351.db2.gz FFWJWIDSYNWRKD-NSHDSACASA-N 3 0 332.470 -0.721 20 0 EBADRP C[C@H]1C[C@@H](CO)N(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001157853541 831598143 /nfs/dbraw/zinc/59/81/43/831598143.db2.gz FWUGXJGTUAXIEX-AJNGGQMLSA-N 2 0 340.468 -0.337 20 0 EBADRP CN1CCN(C(=[NH2+])Nc2ncccc2C(=O)N2CC[NH2+]CC2)CC1 ZINC001157915235 831606935 /nfs/dbraw/zinc/60/69/35/831606935.db2.gz MLCNRWMZQHWDIR-UHFFFAOYSA-N 2 0 331.424 -0.279 20 0 EBADRP Cn1[nH]c(C[NH2+]CCCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)nc1=O ZINC001158040472 831622883 /nfs/dbraw/zinc/62/28/83/831622883.db2.gz WZCFVMDASANMFW-OLZOCXBDSA-N 2 0 336.440 -0.421 20 0 EBADRP O=C(c1cccnc1O[C@H]1CC[NH2+]C1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158101259 831628308 /nfs/dbraw/zinc/62/83/08/831628308.db2.gz IKSPRGCXTMBWKO-YVEFUNNKSA-N 2 0 345.403 -0.874 20 0 EBADRP CC(C)C1(C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CC[NH2+]CC1 ZINC001158120193 831629934 /nfs/dbraw/zinc/62/99/34/831629934.db2.gz KCMYLNGKKFVTIN-GOSISDBHSA-N 2 0 334.464 -0.050 20 0 EBADRP O=C([C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120378 831630824 /nfs/dbraw/zinc/63/08/24/831630824.db2.gz LKSDXJTUQVSFOF-UGSOOPFHSA-N 2 0 348.447 -0.917 20 0 EBADRP O=C(C1CCC2(C[NH2+]C2)CC1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120684 831630829 /nfs/dbraw/zinc/63/08/29/831630829.db2.gz PHUHWZQRCZPSSU-GOSISDBHSA-N 2 0 332.448 -0.296 20 0 EBADRP O=C([C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120376 831631016 /nfs/dbraw/zinc/63/10/16/831631016.db2.gz LKSDXJTUQVSFOF-SCLBCKFNSA-N 2 0 348.447 -0.917 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158202397 831638604 /nfs/dbraw/zinc/63/86/04/831638604.db2.gz SOMFMUBMXLTSEW-AWEZNQCLSA-N 2 0 346.497 -0.637 20 0 EBADRP [NH3+][C@@H](C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1)C1CC[NH2+]CC1 ZINC001158277173 831642870 /nfs/dbraw/zinc/64/28/70/831642870.db2.gz LNXKFPHPIXGJOQ-CQSZACIVSA-N 3 0 333.440 -0.974 20 0 EBADRP O=C(c1cnn2c1nccc2[C@H]1C[NH2+]CCO1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158313928 831644876 /nfs/dbraw/zinc/64/48/76/831644876.db2.gz KHVOPHAYOKSJGQ-NJZAAPMLSA-N 2 0 342.403 -0.176 20 0 EBADRP O=C([C@@H]1NC(=O)CC12C[NH2+]C2)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158327500 831647219 /nfs/dbraw/zinc/64/72/19/831647219.db2.gz JZIZTELCRUGGEF-LZWOXQAQSA-N 2 0 326.400 -0.438 20 0 EBADRP O=C([C@H]1COC2(C[NH2+]C2)CN1)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158327679 831647255 /nfs/dbraw/zinc/64/72/55/831647255.db2.gz MJGIPPSYPUDUIG-ARFHVFGLSA-N 2 0 328.416 -0.585 20 0 EBADRP O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158423049 831653212 /nfs/dbraw/zinc/65/32/12/831653212.db2.gz MHZHPLWYAACPOI-XQQFMLRXSA-N 2 0 327.450 -0.636 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158420473 831653324 /nfs/dbraw/zinc/65/33/24/831653324.db2.gz FPQDPYXHPOUTPS-CHWSQXEVSA-N 2 0 341.456 -0.342 20 0 EBADRP CCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158486285 831658201 /nfs/dbraw/zinc/65/82/01/831658201.db2.gz JASHCGFHMJCSJW-KGLIPLIRSA-N 2 0 326.441 -0.528 20 0 EBADRP CN(C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC1 ZINC001158487320 831659689 /nfs/dbraw/zinc/65/96/89/831659689.db2.gz XYRQLTAIBYJNQK-HUUCEWRRSA-N 2 0 338.452 -0.434 20 0 EBADRP CCn1ncc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001158487268 831659709 /nfs/dbraw/zinc/65/97/09/831659709.db2.gz XNIQSOSYIQZYKO-CABCVRRESA-N 2 0 336.440 -0.243 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCCC1 ZINC001158487191 831660040 /nfs/dbraw/zinc/66/00/40/831660040.db2.gz WOYRWDGTTWDPIR-CABCVRRESA-N 2 0 338.452 -0.432 20 0 EBADRP CCn1nncc1C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158487000 831660203 /nfs/dbraw/zinc/66/02/03/831660203.db2.gz UUJJVCYXYFHUDW-HIFRSBDPSA-N 2 0 336.440 -0.243 20 0 EBADRP O=C(NCCC[NH2+]Cc1nncs1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158507076 831661829 /nfs/dbraw/zinc/66/18/29/831661829.db2.gz PHCQACJYUXPCMA-VXGBXAGGSA-N 2 0 325.438 -0.003 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158548458 831664243 /nfs/dbraw/zinc/66/42/43/831664243.db2.gz UHFCZMJOUSIYEW-CVXDVXMKSA-N 2 0 337.420 -0.636 20 0 EBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158661127 831676611 /nfs/dbraw/zinc/67/66/11/831676611.db2.gz WGCKYALUMKRBHQ-ZYHUDNBSSA-N 2 0 344.375 -0.634 20 0 EBADRP CC(C)N(C(=O)C1(N)CC[NH2+]CC1)c1ncnc2c1CC[NH2+]CC2 ZINC001158758533 831683755 /nfs/dbraw/zinc/68/37/55/831683755.db2.gz AIVOECGYBJGNCO-UHFFFAOYSA-N 2 0 332.452 -0.013 20 0 EBADRP CC(C)N(C(=O)[C@]12C[NH2+]C[C@H]1CCN2)c1ncnc2c1CC[NH2+]CC2 ZINC001158759364 831683781 /nfs/dbraw/zinc/68/37/81/831683781.db2.gz NCAWKGKHVVPNKN-ACJLOTCBSA-N 2 0 344.463 -0.142 20 0 EBADRP O=C([C@H]1C[NH2+]CCN1)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158903250 831694532 /nfs/dbraw/zinc/69/45/32/831694532.db2.gz MWUBIFAMDJWUAM-MRRJBJDNSA-N 2 0 349.410 -0.364 20 0 EBADRP N[C@]1(C(=O)N(c2ncccc2F)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)CC[NH2+]C1 ZINC001158905095 831694907 /nfs/dbraw/zinc/69/49/07/831694907.db2.gz WCDRUPOAJPEURP-JCURWCKSSA-N 2 0 349.410 -0.235 20 0 EBADRP O=C([C@@H]1C[NH2+]CCN1)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158903254 831695043 /nfs/dbraw/zinc/69/50/43/831695043.db2.gz MWUBIFAMDJWUAM-RVSPLBMKSA-N 2 0 349.410 -0.364 20 0 EBADRP COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@@H](C)C[NH3+] ZINC001159078559 831706269 /nfs/dbraw/zinc/70/62/69/831706269.db2.gz XMZZZPCTSPCEFG-WOSRLPQWSA-N 2 0 327.425 -0.164 20 0 EBADRP Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)C[C@@H]([NH3+])CCCC[NH3+])cn1 ZINC001159083910 831707026 /nfs/dbraw/zinc/70/70/26/831707026.db2.gz BUCJOPXWTYNHID-AEGPPILISA-N 2 0 348.451 -0.027 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCc2nnc(Cn3cccc3)n2CC1 ZINC001159103225 831708714 /nfs/dbraw/zinc/70/87/14/831708714.db2.gz MSOGPJMFKOZWMG-CYBMUJFWSA-N 2 0 331.424 -0.421 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001159148464 831710625 /nfs/dbraw/zinc/71/06/25/831710625.db2.gz GTQZJMQLTWALRP-GFCCVEGCSA-N 2 0 340.465 -0.689 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001159154751 831712741 /nfs/dbraw/zinc/71/27/41/831712741.db2.gz BVCDXRNUBBMZMX-QWRGUYRKSA-N 2 0 333.408 -0.654 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001159155639 831712751 /nfs/dbraw/zinc/71/27/51/831712751.db2.gz RWRFMZLGMWZNKO-AWEZNQCLSA-N 2 0 346.447 -0.379 20 0 EBADRP O=C([C@H]1C[NH2+]C[C@@H]1O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159158047 831713298 /nfs/dbraw/zinc/71/32/98/831713298.db2.gz LAMVWFKCIXICBN-GJZGRUSLSA-N 2 0 333.436 -0.556 20 0 EBADRP NC1(C(=O)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)CC[NH2+]CC1 ZINC001159158934 831713651 /nfs/dbraw/zinc/71/36/51/831713651.db2.gz UXNAQHNFQIBWGF-UHFFFAOYSA-N 2 0 346.479 -0.056 20 0 EBADRP [NH3+][C@H]1CN[C@H](C(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)C1 ZINC001159401695 831749737 /nfs/dbraw/zinc/74/97/37/831749737.db2.gz BARQJIOFKOIIHR-AIEDFZFUSA-N 2 0 346.435 -0.877 20 0 EBADRP [NH3+][C@@H]1CN[C@H](C(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)C1 ZINC001159401696 831749755 /nfs/dbraw/zinc/74/97/55/831749755.db2.gz BARQJIOFKOIIHR-YYFQZIEXSA-N 2 0 346.435 -0.877 20 0 EBADRP O=C([C@H]1C[NH2+]CCN1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159665999 831770170 /nfs/dbraw/zinc/77/01/70/831770170.db2.gz NPOKSLZBMVIOIY-GVDBMIGSSA-N 2 0 345.447 -0.555 20 0 EBADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159668541 831771472 /nfs/dbraw/zinc/77/14/72/831771472.db2.gz XTWNWPQUYPJIKY-YVSFHVDLSA-N 2 0 346.431 -0.394 20 0 EBADRP CN(C)C(=O)[C@H]1CC12CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC2 ZINC001159862785 831788680 /nfs/dbraw/zinc/78/86/80/831788680.db2.gz CHZCJXTWONFGJC-NEPJUHHUSA-N 2 0 328.482 -0.278 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159853769 831788694 /nfs/dbraw/zinc/78/86/94/831788694.db2.gz KIUQMHFEXGYVRW-UHFFFAOYSA-N 2 0 327.429 -0.588 20 0 EBADRP CN(C)C(=O)[C@H]1CC12CCN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)CC2 ZINC001159863463 831790291 /nfs/dbraw/zinc/79/02/91/831790291.db2.gz UOFGLZAQJZSTFY-HBUWYVDXSA-N 2 0 334.464 -0.098 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001159908728 831796021 /nfs/dbraw/zinc/79/60/21/831796021.db2.gz JJVAQNWHEPWQEK-ZDUSSCGKSA-N 2 0 339.440 -0.316 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159917546 831796897 /nfs/dbraw/zinc/79/68/97/831796897.db2.gz ZFVNTRXKHWLDCT-CQSZACIVSA-N 2 0 348.513 -0.248 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159997308 831802640 /nfs/dbraw/zinc/80/26/40/831802640.db2.gz LICDDCHVQVFRFZ-OAHLLOKOSA-N 2 0 331.457 -0.410 20 0 EBADRP CS(=O)(=O)N1C[C@H]2CCCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])[C@H]2C1 ZINC001159999427 831804711 /nfs/dbraw/zinc/80/47/11/831804711.db2.gz RYKVKFONBGWRJN-RDBSUJKOSA-N 2 0 346.497 -0.285 20 0 EBADRP [NH3+]CCC[NH2+]CC(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001160085791 831813062 /nfs/dbraw/zinc/81/30/62/831813062.db2.gz NNVRTKDAAWQOQJ-CRAIPNDOSA-N 2 0 345.447 -0.125 20 0 EBADRP [NH3+]CCC[NH2+]CC(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001160085800 831813374 /nfs/dbraw/zinc/81/33/74/831813374.db2.gz NNVRTKDAAWQOQJ-MAUKXSAKSA-N 2 0 345.447 -0.125 20 0 EBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@@H]2C(=O)N(c3ccsc3)C[C@@H]2C1 ZINC001160111308 831815243 /nfs/dbraw/zinc/81/52/43/831815243.db2.gz VTGUFXFERFWQIG-UBHSHLNASA-N 2 0 346.456 -0.022 20 0 EBADRP CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)CCO2 ZINC001160178228 831821939 /nfs/dbraw/zinc/82/19/39/831821939.db2.gz GNVBMEHXUUXORF-YOEHRIQHSA-N 2 0 336.436 -0.965 20 0 EBADRP CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)CCO2 ZINC001160178223 831822072 /nfs/dbraw/zinc/82/20/72/831822072.db2.gz GNVBMEHXUUXORF-PBHICJAKSA-N 2 0 336.436 -0.965 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001160274157 831831103 /nfs/dbraw/zinc/83/11/03/831831103.db2.gz POYGKWMSNQCBJG-OLZOCXBDSA-N 2 0 341.456 -0.199 20 0 EBADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)[C@H]2[NH2+]CC[C@H]2O)CC1 ZINC001160390431 831842619 /nfs/dbraw/zinc/84/26/19/831842619.db2.gz ALGKZDBXKPKNGE-HIFRSBDPSA-N 2 0 338.452 -0.746 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 ZINC001160414830 831845745 /nfs/dbraw/zinc/84/57/45/831845745.db2.gz DJVGUUCTRXTALG-RHSMWYFYSA-N 2 0 346.435 -0.112 20 0 EBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCn2c(Br)cnc2C1 ZINC001160542216 831861838 /nfs/dbraw/zinc/86/18/38/831861838.db2.gz QCSHNVVXZGIOFV-SECBINFHSA-N 2 0 340.225 -0.203 20 0 EBADRP [NH3+][C@@H]1CN[C@H](C(=O)N2c3ccccc3C(=O)NC23CC[NH2+]CC3)C1 ZINC001160589517 831866935 /nfs/dbraw/zinc/86/69/35/831866935.db2.gz XHHRHDPZOFXZFT-AAEUAGOBSA-N 2 0 329.404 -0.468 20 0 EBADRP COC(=O)C[C@@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCO1 ZINC001160595780 831869086 /nfs/dbraw/zinc/86/90/86/831869086.db2.gz ILPAXYVRGIWTQI-OLZOCXBDSA-N 2 0 325.409 -0.349 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCN(C2CCOCC2)C(=O)C1 ZINC001160638272 831872779 /nfs/dbraw/zinc/87/27/79/831872779.db2.gz RLUVWCGYDVBTNW-ZDUSSCGKSA-N 2 0 326.441 -0.317 20 0 EBADRP [NH3+][C@@H]1CCN(C(=O)c2cnn3c2nccc3[C@@H]2C[NH2+]CCO2)C[C@@H]1F ZINC001160648842 831875801 /nfs/dbraw/zinc/87/58/01/831875801.db2.gz FFOJLEUOLGLSFU-SCRDCRAPSA-N 2 0 348.382 -0.099 20 0 EBADRP CC1(C)CN(C2CN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)C2)CCO1 ZINC001160663046 831877739 /nfs/dbraw/zinc/87/77/39/831877739.db2.gz HLNHYJFBBGCLIX-HNNXBMFYSA-N 2 0 339.484 -0.942 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CC[NH+]2CCC1CC2 ZINC001160726837 831880592 /nfs/dbraw/zinc/88/05/92/831880592.db2.gz XSOLCHNAGTYCJI-INIZCTEOSA-N 2 0 330.432 -0.021 20 0 EBADRP CCNC(=O)CO[C@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001160747834 831882417 /nfs/dbraw/zinc/88/24/17/831882417.db2.gz WOQNELJXSNLFBI-JKIFEVAISA-N 2 0 338.452 -0.671 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001160760725 831884342 /nfs/dbraw/zinc/88/43/42/831884342.db2.gz PVDJEOKXTFLCDB-NTZNESFSSA-N 2 0 332.395 -0.523 20 0 EBADRP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160780724 831885574 /nfs/dbraw/zinc/88/55/74/831885574.db2.gz UQSIJSWJUSFKIL-GJYPPUQNSA-N 2 0 342.443 -0.684 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3C[NH2+]CCC3=O)C[C@H]1C2 ZINC001160795284 831888125 /nfs/dbraw/zinc/88/81/25/831888125.db2.gz WADFMOPJMXZCAR-GUFWIUQMSA-N 2 0 335.404 -0.978 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@H]1C[NH2+]CC2 ZINC001160811864 831890042 /nfs/dbraw/zinc/89/00/42/831890042.db2.gz WDPJSQCPSUBHQO-DVOMOZLQSA-N 3 0 326.441 -0.556 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]3CC[NH2+]C[C@@H]3F)C[C@H]1C[NH2+]CC2 ZINC001160814313 831890450 /nfs/dbraw/zinc/89/04/50/831890450.db2.gz YUBQZKBZQOGTDL-NFFDBFGFSA-N 2 0 327.400 -0.065 20 0 EBADRP COC(=O)C[C@H]1CCCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001160833761 831892449 /nfs/dbraw/zinc/89/24/49/831892449.db2.gz UASSSBJIXHHVMU-TZMCWYRMSA-N 2 0 326.441 -0.462 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CCOCCO ZINC001160951423 831909485 /nfs/dbraw/zinc/90/94/85/831909485.db2.gz JZQCHMZAFOUTJE-UHFFFAOYSA-N 2 0 331.457 -0.550 20 0 EBADRP COC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161026618 831915119 /nfs/dbraw/zinc/91/51/19/831915119.db2.gz SCGUQPCUONNGEG-HUUCEWRRSA-N 2 0 329.400 -0.078 20 0 EBADRP COCCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161042370 831917552 /nfs/dbraw/zinc/91/75/52/831917552.db2.gz PGIJBEMNZRHWQT-CQSZACIVSA-N 2 0 328.457 -0.281 20 0 EBADRP [NH3+]CCN(CCNc1nc(Cl)nc2c1C[NH2+]CC2)N(O)N=O ZINC001161086751 831921276 /nfs/dbraw/zinc/92/12/76/831921276.db2.gz DFAVUCQKXGOZLH-UHFFFAOYSA-N 2 0 330.780 -0.264 20 0 EBADRP COC(=O)[C@@]1(N)CCN(C(=O)[C@@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)C1 ZINC001161137729 831930680 /nfs/dbraw/zinc/93/06/80/831930680.db2.gz GLZSIAKKJAFGCO-CXAGYDPISA-N 2 0 338.452 -0.447 20 0 EBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001161158241 831933563 /nfs/dbraw/zinc/93/35/63/831933563.db2.gz RWHOLJZXCPAWQP-ZDUSSCGKSA-N 2 0 327.425 -0.114 20 0 EBADRP CN(C(=O)[C@@H]1C[NH2+]C[C@@]12c1ccccc1NC2=O)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219999 831937322 /nfs/dbraw/zinc/93/73/22/831937322.db2.gz VIXGMGZZFHALRW-KIPCWYNTSA-N 2 0 326.400 -0.228 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001161226597 831938792 /nfs/dbraw/zinc/93/87/92/831938792.db2.gz KNTPTKDWICUENG-LLVKDONJSA-N 2 0 329.445 -0.343 20 0 EBADRP [NH3+]C[C@]1(F)CCN(C(=O)c2ccc3c(c2)[C@@H]2C[NH2+]C[C@H]2NC3=O)C1 ZINC001161245345 831940460 /nfs/dbraw/zinc/94/04/60/831940460.db2.gz CRDRJFJDWAPXSE-JJRVBVJISA-N 2 0 332.379 -0.002 20 0 EBADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@@H]3CNC(=O)C34CC[NH2+]CC4)C2)CC1 ZINC001161381668 831951507 /nfs/dbraw/zinc/95/15/07/831951507.db2.gz YUUGSHHROVFGHP-CABCVRRESA-N 2 0 349.479 -0.874 20 0 EBADRP [NH3+][C@H]1CCCCN(CC(=O)N2CCO[C@@H](C[NH+]3CCCC3)C2)C1=O ZINC001161390280 831952358 /nfs/dbraw/zinc/95/23/58/831952358.db2.gz XEOOITSKJRFZDH-GJZGRUSLSA-N 2 0 338.452 -0.351 20 0 EBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161382285 831952611 /nfs/dbraw/zinc/95/26/11/831952611.db2.gz WMINTVJWUPVUQZ-CHWSQXEVSA-N 2 0 327.429 -0.915 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161412185 831954901 /nfs/dbraw/zinc/95/49/01/831954901.db2.gz HGWCMYITGODRTD-RVMXOQNASA-N 2 0 326.441 -0.559 20 0 EBADRP CCOC(=O)C1(C(=O)N(CC[NH+](C)C)[C@@H]2CCC[NH2+]C2)C[NH2+]C1 ZINC001161444185 831957868 /nfs/dbraw/zinc/95/78/68/831957868.db2.gz DPJPFWDGTRXTKE-CYBMUJFWSA-N 3 0 326.441 -0.719 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1C[C@H]3C[NH2+]CC[C@@H]3O1)CC2 ZINC001161477040 831962185 /nfs/dbraw/zinc/96/21/85/831962185.db2.gz GTHRXNRYANYZHD-CNUKPYSBSA-N 2 0 337.420 -0.493 20 0 EBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@]2(C(=O)OC)CC[NH2+][C@@H]2C1 ZINC001161476788 831962400 /nfs/dbraw/zinc/96/24/00/831962400.db2.gz DPJLADLOEHAMHV-FIXISWKDSA-N 2 0 327.381 -0.980 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)CC2 ZINC001161475973 831962853 /nfs/dbraw/zinc/96/28/53/831962853.db2.gz ABHKBVFVXGXUNJ-JJRVBVJISA-N 3 0 340.468 -0.201 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)CN(C)[C@@H]1CCC[NH2+]C1)CC2 ZINC001161480643 831964448 /nfs/dbraw/zinc/96/44/48/831964448.db2.gz PVMHJPOOJMPNDW-KEYYUXOJSA-N 2 0 338.452 -0.576 20 0 EBADRP [NH3+][C@@H](CC(=O)OC1CCCCC1)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161499376 831967053 /nfs/dbraw/zinc/96/70/53/831967053.db2.gz GUQBVJKXSLDQAT-QWHCGFSZSA-N 2 0 325.409 -0.234 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@]23C(=O)Nc2ccccc23)CC12COC2 ZINC001161508665 831967491 /nfs/dbraw/zinc/96/74/91/831967491.db2.gz GAELQAAVJISQKY-DFHBCGBQSA-N 2 0 342.399 -0.718 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])c1ccc(OCC[NH+]2CCCC2)nn1 ZINC001162123867 832019560 /nfs/dbraw/zinc/01/95/60/832019560.db2.gz HHXGHPRPBPGVBW-UHFFFAOYSA-N 2 0 329.426 -0.324 20 0 EBADRP CC[C@H](C(=O)NCC1(COC)CC[NH+](CC(=O)NC)CC1)[NH+](C)C ZINC001162319826 832033994 /nfs/dbraw/zinc/03/39/94/832033994.db2.gz CQXHLHRDGFXRKR-CQSZACIVSA-N 2 0 342.484 -0.083 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCC1 ZINC001162872040 832068536 /nfs/dbraw/zinc/06/85/36/832068536.db2.gz DYLBXJQMHNODBC-XOYHFGRZSA-N 2 0 336.436 -0.822 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)c1nncn1C ZINC001162872599 832070119 /nfs/dbraw/zinc/07/01/19/832070119.db2.gz XQLWSUWGPQQLLH-XCCIUEIHSA-N 2 0 348.451 -0.165 20 0 EBADRP c1cc(NCc2nnc3n2CCC[NH2+]C3)nc(N2CC[NH2+]CC2)n1 ZINC001163011558 832075661 /nfs/dbraw/zinc/07/56/61/832075661.db2.gz TZKKDEHUJMTAOM-UHFFFAOYSA-N 2 0 329.412 -0.417 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001163224416 832092192 /nfs/dbraw/zinc/09/21/92/832092192.db2.gz UXSCSMFHSVAUMG-ZDUSSCGKSA-N 2 0 325.413 -0.848 20 0 EBADRP C[NH+](C)CCCNC(=O)c1cccnc1N[C@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001163238981 832092815 /nfs/dbraw/zinc/09/28/15/832092815.db2.gz PVJSNYIKDIKMHK-SUMWQHHRSA-N 2 0 346.435 -0.247 20 0 EBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ccc3nc([C@@H]4CC[NH2+]C4)nn3c2)N1 ZINC001163252584 832093690 /nfs/dbraw/zinc/09/36/90/832093690.db2.gz ANLMOXPHDJCVOP-XAGWURHQSA-N 2 0 327.392 -0.204 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])Nc1ccc(N2CC[NH+](C)CC2)nn1 ZINC001163438527 832115317 /nfs/dbraw/zinc/11/53/17/832115317.db2.gz KNCGBRDTYOQAIH-ZDUSSCGKSA-N 2 0 335.456 -0.116 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001163822193 832142251 /nfs/dbraw/zinc/14/22/51/832142251.db2.gz VGDAIKBCCASRBK-GFCCVEGCSA-N 2 0 339.440 -0.588 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001163821322 832142286 /nfs/dbraw/zinc/14/22/86/832142286.db2.gz MRATZSNCDMWBFJ-STQMWFEESA-N 2 0 336.436 -0.238 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001163850922 832145654 /nfs/dbraw/zinc/14/56/54/832145654.db2.gz BUIBPYJRSNIHQL-UHFFFAOYSA-N 2 0 348.513 -0.104 20 0 EBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001164538714 832195785 /nfs/dbraw/zinc/19/57/85/832195785.db2.gz MGVLRYWSRXRKNF-AWEZNQCLSA-N 2 0 328.457 -0.330 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@H](C)c2nnnn2C)C1 ZINC001164539150 832196020 /nfs/dbraw/zinc/19/60/20/832196020.db2.gz TWZVSRULBCABNF-OLZOCXBDSA-N 2 0 339.444 -0.524 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NCCC[NH2+]CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001164574583 832198682 /nfs/dbraw/zinc/19/86/82/832198682.db2.gz REDHPUWKCAJZTQ-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP CS(=O)(=O)c1nc2c(c(-n3ncc4c3CC[NH2+]C4)n1)CC[NH2+]CC2 ZINC001165219314 832207734 /nfs/dbraw/zinc/20/77/34/832207734.db2.gz VPQVURDSRDSUFR-UHFFFAOYSA-N 2 0 348.432 -0.600 20 0 EBADRP O=C1CN(c2ccc(OC3CC[NH2+]CC3)nn2)CC2(CC[NH2+]CC2)N1 ZINC001165255102 832208463 /nfs/dbraw/zinc/20/84/63/832208463.db2.gz NIGFFNRWBKOUBR-UHFFFAOYSA-N 2 0 346.435 -0.334 20 0 EBADRP O=C(c1cccnc1N1C[C@H]2C[NH2+]C[C@@]2(CO)C1)N1CC[NH2+]CC1 ZINC001165282721 832210627 /nfs/dbraw/zinc/21/06/27/832210627.db2.gz BJBAIJUSKNOBBN-DYVFJYSZSA-N 2 0 331.420 -0.855 20 0 EBADRP C[NH+](C)CCCC(=O)NCCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001165359535 832217694 /nfs/dbraw/zinc/21/76/94/832217694.db2.gz DHALEMDVDAERRH-CQSZACIVSA-N 2 0 348.513 -0.294 20 0 EBADRP C[NH+]1CCC(C(=O)NCCC[NH2+]CC(=O)NC(=O)NC2CC2)CC1 ZINC001165772066 832236753 /nfs/dbraw/zinc/23/67/53/832236753.db2.gz IDEITSAJUSOGDO-UHFFFAOYSA-N 2 0 339.440 -0.588 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165772741 832237465 /nfs/dbraw/zinc/23/74/65/832237465.db2.gz VUYLICVUIABDHE-UHFFFAOYSA-N 2 0 328.457 -0.423 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165776632 832237471 /nfs/dbraw/zinc/23/74/71/832237471.db2.gz MDLOOFVJJDCVAJ-NSHDSACASA-N 2 0 327.429 -0.732 20 0 EBADRP C[NH+](C)CCC(=O)NCCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001165781034 832237590 /nfs/dbraw/zinc/23/75/90/832237590.db2.gz CXEFWCGOCUQLJK-CYBMUJFWSA-N 2 0 334.486 -0.685 20 0 EBADRP C[NH+](C)CCC(=O)NCCC[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC001165801478 832238201 /nfs/dbraw/zinc/23/82/01/832238201.db2.gz VSRYUCYXVBVZAZ-UHFFFAOYSA-N 2 0 341.456 -0.246 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166009903 832245629 /nfs/dbraw/zinc/24/56/29/832245629.db2.gz BVWQNZAVTMXZLV-LSDHHAIUSA-N 2 0 333.473 -0.308 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166004335 832245999 /nfs/dbraw/zinc/24/59/99/832245999.db2.gz LWCHOZLWUYYQDZ-CQSZACIVSA-N 2 0 343.472 -0.096 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)NC2(C[NH3+])CCOCC2)CC1 ZINC001351539732 832248988 /nfs/dbraw/zinc/24/89/88/832248988.db2.gz QOMQMLVGPLJOFZ-UHFFFAOYSA-N 2 0 327.473 -0.179 20 0 EBADRP NC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001166249869 832253582 /nfs/dbraw/zinc/25/35/82/832253582.db2.gz KOSHBPDWETYFGI-JZLYGMAVSA-N 2 0 336.436 -0.789 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001166634175 832275893 /nfs/dbraw/zinc/27/58/93/832275893.db2.gz PZJQGPJTBZZRMF-AWEZNQCLSA-N 2 0 326.441 -0.575 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166677752 832278753 /nfs/dbraw/zinc/27/87/53/832278753.db2.gz MJXQIMGDNWFKIR-ZDUSSCGKSA-N 2 0 334.486 -0.637 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001166678577 832279971 /nfs/dbraw/zinc/27/99/71/832279971.db2.gz WNBQHAYVEGXKFT-UONOGXRCSA-N 2 0 331.482 -0.141 20 0 EBADRP N=c1nc([C@@H]2CCC[NH2+]2)ccn1-c1ccc(N2CC[NH2+]CC2)nn1 ZINC001166699718 832280972 /nfs/dbraw/zinc/28/09/72/832280972.db2.gz CTHVPIUHQANDJI-LBPRGKRZSA-N 2 0 326.408 -0.024 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC1CCOCC1 ZINC001166707724 832281518 /nfs/dbraw/zinc/28/15/18/832281518.db2.gz IHWAEQRFHWBRTB-ZFWWWQNUSA-N 2 0 340.468 -0.425 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001166708653 832282749 /nfs/dbraw/zinc/28/27/49/832282749.db2.gz VTHZAKCLPRFQDI-AAEUAGOBSA-N 2 0 339.440 -0.732 20 0 EBADRP Cn1nnnc1C[NH2+]CCCNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001166750261 832286639 /nfs/dbraw/zinc/28/66/39/832286639.db2.gz APBLPSPRGFBABM-UHFFFAOYSA-N 2 0 345.451 -0.020 20 0 EBADRP CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1)[NH+](C)C ZINC001166858438 832295038 /nfs/dbraw/zinc/29/50/38/832295038.db2.gz UWQKXOZPYHMQOS-KBPBESRZSA-N 2 0 328.457 -0.282 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001166896848 832295456 /nfs/dbraw/zinc/29/54/56/832295456.db2.gz OYUKSBGFJZSGCP-UHFFFAOYSA-N 2 0 341.456 -0.340 20 0 EBADRP C[NH+]1CCC(C(=O)NCCC2(C[NH2+]CC(=O)NC(N)=O)CC2)CC1 ZINC001166979401 832305440 /nfs/dbraw/zinc/30/54/40/832305440.db2.gz UTCZXTMJCSLTJX-UHFFFAOYSA-N 2 0 339.440 -0.601 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCCC2(C[NH2+]CC(N)=O)CC2)CC1 ZINC001167563057 832357986 /nfs/dbraw/zinc/35/79/86/832357986.db2.gz DKWFYQRVAVBLLO-UHFFFAOYSA-N 2 0 326.441 -0.541 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1)C(=O)NC(N)=O ZINC001167620352 832360390 /nfs/dbraw/zinc/36/03/90/832360390.db2.gz RSPANYMHLIWLGK-CHWSQXEVSA-N 2 0 341.456 -0.070 20 0 EBADRP Cn1nnnc1C[NH2+]CC1(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001167737181 832368726 /nfs/dbraw/zinc/36/87/26/832368726.db2.gz NZIMVCPBEVFIFY-ZDUSSCGKSA-N 2 0 335.456 -0.072 20 0 EBADRP Cc1cnc(N2CCC(C[NH3+])CC2)nc1NC(CO)(CO)CO ZINC001167924567 832383076 /nfs/dbraw/zinc/38/30/76/832383076.db2.gz ZKWCVIXERFTWRI-UHFFFAOYSA-N 2 0 325.413 -0.912 20 0 EBADRP Cn1ncc(C[NH2+]CCCNC(=O)c2cnn(CC[NH+](C)C)c2)n1 ZINC001168044498 832390384 /nfs/dbraw/zinc/39/03/84/832390384.db2.gz WTNBVCFQYWUXQX-UHFFFAOYSA-N 2 0 334.428 -0.517 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC2(C[NH2+]CCN3CCNC3=O)CC2)C1 ZINC001168136036 832398844 /nfs/dbraw/zinc/39/88/44/832398844.db2.gz DZQUILQVOMSZON-CQSZACIVSA-N 2 0 337.468 -0.161 20 0 EBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC001353130969 832405942 /nfs/dbraw/zinc/40/59/42/832405942.db2.gz FDVNKXFCCVSCFJ-UONOGXRCSA-N 2 0 326.441 -0.541 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC001353252372 832417969 /nfs/dbraw/zinc/41/79/69/832417969.db2.gz NWFQGAKRGQVHLW-CQSZACIVSA-N 2 0 340.468 -0.057 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC[N@@H+]1C ZINC001353263246 832418821 /nfs/dbraw/zinc/41/88/21/832418821.db2.gz XXJJMGKNPPLSFA-IJLUTSLNSA-N 2 0 332.395 -0.054 20 0 EBADRP C[NH2+]CCOCCNC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001353490350 832431236 /nfs/dbraw/zinc/43/12/36/832431236.db2.gz JWZYODQQNFMVGU-UHFFFAOYSA-N 2 0 327.473 -0.356 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001168755774 832434583 /nfs/dbraw/zinc/43/45/83/832434583.db2.gz RZFJEIZNKSYIBN-AWEZNQCLSA-N 2 0 328.457 -0.593 20 0 EBADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC001353585227 832434857 /nfs/dbraw/zinc/43/48/57/832434857.db2.gz ZOLHNLVWBWBHMT-MSOLQXFVSA-N 2 0 345.491 -0.005 20 0 EBADRP [NH3+][C@@H](CO)Cc1cncn1-c1ccc(OCC[NH+]2CCCC2)nn1 ZINC001169071911 832446316 /nfs/dbraw/zinc/44/63/16/832446316.db2.gz PMVZCXIQPPVYNO-CYBMUJFWSA-N 2 0 332.408 -0.001 20 0 EBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001169541128 832467083 /nfs/dbraw/zinc/46/70/83/832467083.db2.gz CDPIRVBECSKELM-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169810852 832477116 /nfs/dbraw/zinc/47/71/16/832477116.db2.gz RYFISIBDILMMSK-STQMWFEESA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@H](CCCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169811133 832477270 /nfs/dbraw/zinc/47/72/70/832477270.db2.gz UHBPLQGDOCSRSB-OLZOCXBDSA-N 2 0 338.456 -0.033 20 0 EBADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001170784889 832525704 /nfs/dbraw/zinc/52/57/04/832525704.db2.gz MCZRIXHTOMVYFU-ZDUSSCGKSA-N 2 0 341.456 -0.068 20 0 EBADRP CC[N@H+](C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)c1ccccc1 ZINC001170868937 832530044 /nfs/dbraw/zinc/53/00/44/832530044.db2.gz XCEJWRKQVFNQLD-OAHLLOKOSA-N 2 0 349.435 -0.030 20 0 EBADRP Cn1[nH]c(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)nc1=O ZINC001171162072 832549631 /nfs/dbraw/zinc/54/96/31/832549631.db2.gz UBCMZSIVAFFJPL-OLZOCXBDSA-N 2 0 338.456 -0.175 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CC(=O)NC1CCCC1 ZINC001171206069 832550391 /nfs/dbraw/zinc/55/03/91/832550391.db2.gz ZFLBRSPUDZBACL-UHFFFAOYSA-N 2 0 328.457 -0.281 20 0 EBADRP CC(C)n1nnnc1C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171198679 832550460 /nfs/dbraw/zinc/55/04/60/832550460.db2.gz RPXAIDXLNSQWTN-UHFFFAOYSA-N 2 0 327.433 -0.572 20 0 EBADRP CCC(C)(C)NC(=O)C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171204527 832550485 /nfs/dbraw/zinc/55/04/85/832550485.db2.gz BOAKJANSTKQAFD-UHFFFAOYSA-N 2 0 330.473 -0.035 20 0 EBADRP CCc1nnc(C[NH2+]CCCNC(=O)COCC[NH+](C)C)n1C ZINC001171198156 832550510 /nfs/dbraw/zinc/55/05/10/832550510.db2.gz LWSMMFYJYUDTJN-UHFFFAOYSA-N 2 0 326.445 -0.448 20 0 EBADRP COCCCNC(=O)C[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171216380 832551194 /nfs/dbraw/zinc/55/11/94/832551194.db2.gz HLDMIFSJTJZVGP-CQSZACIVSA-N 2 0 328.457 -0.423 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001171217389 832551371 /nfs/dbraw/zinc/55/13/71/832551371.db2.gz LSEPMFNUMHYNLK-CYBMUJFWSA-N 2 0 336.440 -0.254 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CC(=O)Nc1ccon1 ZINC001171216328 832551456 /nfs/dbraw/zinc/55/14/56/832551456.db2.gz GHFWGHVQNYKSPV-UHFFFAOYSA-N 2 0 327.385 -0.713 20 0 EBADRP C[C@H](C[NH2+]CCCNC(=O)COCC[NH+](C)C)CS(C)(=O)=O ZINC001171215865 832551719 /nfs/dbraw/zinc/55/17/19/832551719.db2.gz DVLWPUMLVSPUSO-CYBMUJFWSA-N 2 0 337.486 -0.659 20 0 EBADRP CC(C)N(C)C(=O)[C@H](C)[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171217990 832552360 /nfs/dbraw/zinc/55/23/60/832552360.db2.gz QDJMZRGSYWZPKJ-AWEZNQCLSA-N 2 0 330.473 -0.084 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001171227049 832552600 /nfs/dbraw/zinc/55/26/00/832552600.db2.gz MBAKCDFBUYAPMJ-CABCVRRESA-N 2 0 340.468 -0.593 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171294674 832555323 /nfs/dbraw/zinc/55/53/23/832555323.db2.gz VPZKGDBOQBDIJR-AWEZNQCLSA-N 2 0 329.441 -0.798 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001171354960 832557058 /nfs/dbraw/zinc/55/70/58/832557058.db2.gz UGVUDHSUULISLL-UHFFFAOYSA-N 2 0 328.438 -0.098 20 0 EBADRP C[NH+](C)CCCCC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001171578863 832566169 /nfs/dbraw/zinc/56/61/69/832566169.db2.gz JXOQYDJNQJXZGR-HNNXBMFYSA-N 2 0 342.484 -0.033 20 0 EBADRP C[C@H](CCCC[NH2+]CCNS(C)(=O)=O)NC(=O)CC[NH+](C)C ZINC001175049247 832613733 /nfs/dbraw/zinc/61/37/33/832613733.db2.gz RBXUYJHHVIQBRF-CYBMUJFWSA-N 2 0 336.502 -0.248 20 0 EBADRP C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175257122 832620109 /nfs/dbraw/zinc/62/01/09/832620109.db2.gz VANSHZWSAXEZIX-OLZOCXBDSA-N 2 0 341.456 -0.070 20 0 EBADRP C[C@H]1C[C@H](NC(=O)C(=O)NCCN2CCC([NH3+])CC2)CC[N@@H+]1C ZINC001356427639 832628004 /nfs/dbraw/zinc/62/80/04/832628004.db2.gz LYLADYFZDXVLHU-GXTWGEPZSA-N 2 0 325.457 -0.875 20 0 EBADRP C[NH2+]CCN(C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)C(C)C ZINC001356437554 832628993 /nfs/dbraw/zinc/62/89/93/832628993.db2.gz LZYGUHHKBYKFTC-UHFFFAOYSA-N 2 0 341.500 -0.413 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001176056862 832654021 /nfs/dbraw/zinc/65/40/21/832654021.db2.gz LHCLANYEZQNQRT-UONOGXRCSA-N 2 0 331.482 -0.141 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]C[C@H](O)COCC(F)(F)F)C1 ZINC001176056838 832654092 /nfs/dbraw/zinc/65/40/92/832654092.db2.gz KZBJBOMUHFQOOI-NEPJUHHUSA-N 2 0 341.374 -0.026 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001176057039 832654484 /nfs/dbraw/zinc/65/44/84/832654484.db2.gz MHKORMXXVCOXLR-KGLIPLIRSA-N 2 0 326.441 -0.983 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001176057753 832654914 /nfs/dbraw/zinc/65/49/14/832654914.db2.gz SAQMDGVOCUNTJO-LSDHHAIUSA-N 2 0 343.468 -0.410 20 0 EBADRP CCOCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176095883 832657485 /nfs/dbraw/zinc/65/74/85/832657485.db2.gz KGVDJCDPCYFSOD-CABCVRRESA-N 2 0 342.484 -0.035 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176095894 832657507 /nfs/dbraw/zinc/65/75/07/832657507.db2.gz KLXSAOYYSPSQGI-KGLIPLIRSA-N 2 0 328.457 -0.425 20 0 EBADRP CCn1cc(C[NH2+]CCCNC(=O)[C@H](C)C[NH+]2CCOCC2)nn1 ZINC001176160494 832660244 /nfs/dbraw/zinc/66/02/44/832660244.db2.gz HJCNBPPQEAZQLI-CQSZACIVSA-N 2 0 338.456 -0.138 20 0 EBADRP CCCCNC(=O)C[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176169842 832661065 /nfs/dbraw/zinc/66/10/65/832661065.db2.gz OFVPSYQCQNZFTG-OAHLLOKOSA-N 2 0 342.484 -0.033 20 0 EBADRP C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001176184162 832661846 /nfs/dbraw/zinc/66/18/46/832661846.db2.gz HLFCQBCEKLBMGS-LBPRGKRZSA-N 2 0 339.440 -0.458 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CCCNC(=O)CCC[NH+]1CCCCC1 ZINC001176319585 832666680 /nfs/dbraw/zinc/66/66/80/832666680.db2.gz ZAIKUDATAGBOJW-UHFFFAOYSA-N 2 0 327.429 -0.457 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001176856039 832696494 /nfs/dbraw/zinc/69/64/94/832696494.db2.gz GYFYQTYBNWKFPF-STQMWFEESA-N 2 0 339.440 -0.493 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CC[NH+]1CCCCC1 ZINC001176938305 832714170 /nfs/dbraw/zinc/71/41/70/832714170.db2.gz QCYNQLNYJGHZCA-ZDUSSCGKSA-N 2 0 341.456 -0.198 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001176992499 832727910 /nfs/dbraw/zinc/72/79/10/832727910.db2.gz ROFNIFZLIKCOLG-ZDUSSCGKSA-N 2 0 339.440 -0.492 20 0 EBADRP CC(C)[C@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)[NH+]1CCCC1 ZINC001176998953 832730534 /nfs/dbraw/zinc/73/05/34/832730534.db2.gz NMBLDAZQVIHRKC-CQSZACIVSA-N 2 0 348.513 -0.248 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001178716192 832904003 /nfs/dbraw/zinc/90/40/03/832904003.db2.gz LQXWZZVRMYEURI-BPUTZDHNSA-N 2 0 325.453 -0.084 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001178926547 832931552 /nfs/dbraw/zinc/93/15/52/832931552.db2.gz YYCSGHULARHYJM-AVGNSLFASA-N 2 0 339.440 -0.365 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C)C(=O)NC(N)=O ZINC001179434913 832978590 /nfs/dbraw/zinc/97/85/90/832978590.db2.gz DCAGYSQIAYXXKE-WOPDTQHZSA-N 2 0 339.440 -0.509 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001179471885 832982153 /nfs/dbraw/zinc/98/21/53/832982153.db2.gz FHJKGNMECRWJCP-JQWIXIFHSA-N 2 0 325.413 -0.898 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001179472090 832982681 /nfs/dbraw/zinc/98/26/81/832982681.db2.gz GDDLEDQYCMIPSR-JSGCOSHPSA-N 2 0 346.497 -0.544 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001187107213 833901359 /nfs/dbraw/zinc/90/13/59/833901359.db2.gz XOFKWWIQUQXEBH-QWHCGFSZSA-N 2 0 339.440 -0.636 20 0 EBADRP O=C(C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)Nc1cnccn1 ZINC001187121800 833902981 /nfs/dbraw/zinc/90/29/81/833902981.db2.gz LSTZJDLWPHSFQL-CYBMUJFWSA-N 2 0 344.419 -0.299 20 0 EBADRP O=C(N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001187122487 833904044 /nfs/dbraw/zinc/90/40/44/833904044.db2.gz UQLVJUJSLQNRSR-CYBMUJFWSA-N 2 0 349.435 -0.785 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187121817 833904284 /nfs/dbraw/zinc/90/42/84/833904284.db2.gz MFUJTWAZYDVYMJ-CQSZACIVSA-N 2 0 338.452 -0.575 20 0 EBADRP C[C@@H](C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)CS(C)(=O)=O ZINC001187126946 833905455 /nfs/dbraw/zinc/90/54/55/833905455.db2.gz QIBWGNGAPCUYGJ-UONOGXRCSA-N 2 0 343.493 -0.047 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](OC)C1 ZINC001213164207 837715380 /nfs/dbraw/zinc/71/53/80/837715380.db2.gz OTTYMJOCWACBKP-ARFHVFGLSA-N 2 0 348.403 -0.229 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187221383 833912378 /nfs/dbraw/zinc/91/23/78/833912378.db2.gz XZXSMIMVHPGTOP-GFCCVEGCSA-N 2 0 327.429 -0.636 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCNS(=O)(=O)CC)C1 ZINC001187307315 833918425 /nfs/dbraw/zinc/91/84/25/833918425.db2.gz ZSPAPMHCMWINPB-CQSZACIVSA-N 2 0 348.513 -0.152 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCNS(=O)(=O)CC)C1 ZINC001187322203 833920047 /nfs/dbraw/zinc/92/00/47/833920047.db2.gz NQEXWCOZMGZULT-CQSZACIVSA-N 2 0 348.513 -0.152 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C2)C1 ZINC001187817472 833970185 /nfs/dbraw/zinc/97/01/85/833970185.db2.gz FXAJFGWNSGIFSA-GHMZBOCLSA-N 2 0 336.358 -0.193 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3nncs3)C2)C1 ZINC001187826387 833972003 /nfs/dbraw/zinc/97/20/03/833972003.db2.gz ZIDPFMWVONMBNQ-WDEREUQCSA-N 2 0 338.437 -0.381 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001188145979 834013638 /nfs/dbraw/zinc/01/36/38/834013638.db2.gz UJQLNDJSJIRPRJ-GFCCVEGCSA-N 2 0 327.429 -0.637 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001188145947 834014229 /nfs/dbraw/zinc/01/42/29/834014229.db2.gz SEVZIQITYDOLMU-CQSZACIVSA-N 2 0 328.457 -0.330 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001188158324 834017757 /nfs/dbraw/zinc/01/77/57/834017757.db2.gz KYIRWDAYOLPXDC-ZIAGYGMSSA-N 2 0 331.482 -0.048 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC001188962789 834110741 /nfs/dbraw/zinc/11/07/41/834110741.db2.gz FWNIMAFRPIXDMH-MELADBBJSA-N 2 0 348.447 -0.334 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001189801442 834193044 /nfs/dbraw/zinc/19/30/44/834193044.db2.gz GNGNPRUJZATYAD-RRFJBIMHSA-N 2 0 338.452 -0.624 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CCNC(=O)C4CC4)C[C@H]32)C1 ZINC001190148300 834235827 /nfs/dbraw/zinc/23/58/27/834235827.db2.gz FMTOCNCYRADRTE-HRCADAONSA-N 2 0 334.464 -0.003 20 0 EBADRP COCCOCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213348410 837753280 /nfs/dbraw/zinc/75/32/80/837753280.db2.gz LTEUVVUHHSYOEY-HUUCEWRRSA-N 2 0 331.457 -0.193 20 0 EBADRP CC(C)OCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001193024172 834782462 /nfs/dbraw/zinc/78/24/62/834782462.db2.gz DXBFKTXHYPUPPR-ARFHVFGLSA-N 2 0 325.453 -0.086 20 0 EBADRP COC[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001193078394 834791717 /nfs/dbraw/zinc/79/17/17/834791717.db2.gz SFLKOICPONYWCR-HUUCEWRRSA-N 2 0 343.468 -0.363 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)[C@@H](C)C(=O)NC(N)=O)C1 ZINC001194294770 835076158 /nfs/dbraw/zinc/07/61/58/835076158.db2.gz MWDWVEWDJVSDAT-RYUDHWBXSA-N 2 0 327.429 -0.557 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001194309936 835078244 /nfs/dbraw/zinc/07/82/44/835078244.db2.gz XEEZCCOJNDVMGJ-FVQBIDKESA-N 2 0 348.403 -0.575 20 0 EBADRP C[C@H](CN1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1)CS(C)(=O)=O ZINC001195708365 835275632 /nfs/dbraw/zinc/27/56/32/835275632.db2.gz MHNWRTUKSYXNIP-MGPQQGTHSA-N 2 0 349.497 -0.830 20 0 EBADRP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195872042 835305177 /nfs/dbraw/zinc/30/51/77/835305177.db2.gz XEXRTLRPSDFOAU-RRFJBIMHSA-N 2 0 331.457 -0.867 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(Cc2ccn(C)c(=O)c2)C[C@H]1O ZINC001197048584 835498133 /nfs/dbraw/zinc/49/81/33/835498133.db2.gz DNUNTGPSDDIBDA-HUUCEWRRSA-N 2 0 336.436 -0.612 20 0 EBADRP CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319933 835537173 /nfs/dbraw/zinc/53/71/73/835537173.db2.gz QXNWRPDAEOLYKZ-NWANDNLSSA-N 2 0 329.441 -0.707 20 0 EBADRP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319658 835537247 /nfs/dbraw/zinc/53/72/47/835537247.db2.gz NJXOQTZBVKCAGE-HZPDHXFCSA-N 2 0 343.468 -0.315 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])C(=O)c1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001197586980 835582423 /nfs/dbraw/zinc/58/24/23/835582423.db2.gz XXGOUXHUMGFLAZ-CQSZACIVSA-N 2 0 341.433 -0.386 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@H]1O ZINC001197782952 835607270 /nfs/dbraw/zinc/60/72/70/835607270.db2.gz LJWZEMHUXHENBF-RBSFLKMASA-N 2 0 329.441 -0.848 20 0 EBADRP CCCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197791238 835608970 /nfs/dbraw/zinc/60/89/70/835608970.db2.gz DITVLRREYPUZGL-HUUCEWRRSA-N 2 0 331.457 -0.457 20 0 EBADRP CCO[C@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1)C1CC1 ZINC001197825717 835612840 /nfs/dbraw/zinc/61/28/40/835612840.db2.gz HIQQOUKXXRPJKT-BZUAXINKSA-N 2 0 343.468 -0.459 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001199111844 835766464 /nfs/dbraw/zinc/76/64/64/835766464.db2.gz OTWSIBIFFWRWHA-RBSFLKMASA-N 2 0 340.468 -0.596 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001199787882 835861219 /nfs/dbraw/zinc/86/12/19/835861219.db2.gz GURMGHWGBHHGGN-DGCLKSJQSA-N 2 0 339.440 -0.495 20 0 EBADRP CN(CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)S(C)(=O)=O ZINC001199788747 835861911 /nfs/dbraw/zinc/86/19/11/835861911.db2.gz YTXPHRRDKYQONK-CQSZACIVSA-N 2 0 346.497 -0.447 20 0 EBADRP CCOCCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001199826189 835867182 /nfs/dbraw/zinc/86/71/82/835867182.db2.gz IDIRATIAJSRSFN-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)N(C)C)C2)CC[N@@H+]1C ZINC001200536176 835982657 /nfs/dbraw/zinc/98/26/57/835982657.db2.gz AVGVFFFPQFFJSH-RBSFLKMASA-N 2 0 340.468 -0.378 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NC)C2)CC[N@@H+]1C ZINC001200553876 835985320 /nfs/dbraw/zinc/98/53/20/835985320.db2.gz BHKYMGLWCACDKI-QLFBSQMISA-N 2 0 340.468 -0.330 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001200554987 835985810 /nfs/dbraw/zinc/98/58/10/835985810.db2.gz OEORPMRENWEKEZ-HZSPNIEDSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)CC[N@@H+]1C ZINC001200636748 836000328 /nfs/dbraw/zinc/00/03/28/836000328.db2.gz NDCOKFYSODLIPB-ZYHUDNBSSA-N 2 0 325.413 -0.898 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CCCO[C@@H](C[NH2+]CCOCCO)C1)C1CC1 ZINC001200688630 836017185 /nfs/dbraw/zinc/01/71/85/836017185.db2.gz SNXNNKFILXILCX-HOTGVXAUSA-N 2 0 343.468 -0.457 20 0 EBADRP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1 ZINC001200704726 836020069 /nfs/dbraw/zinc/02/00/69/836020069.db2.gz PJNNVPIQDFTJKS-JKSUJKDBSA-N 2 0 343.468 -0.315 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001200722382 836023617 /nfs/dbraw/zinc/02/36/17/836023617.db2.gz WIUMHDUWQIUPSO-UONOGXRCSA-N 2 0 326.441 -0.447 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200720938 836024043 /nfs/dbraw/zinc/02/40/43/836024043.db2.gz FCNWNQCRVHBJSZ-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCCO1 ZINC001200736956 836028552 /nfs/dbraw/zinc/02/85/52/836028552.db2.gz HUDUTJNEJOYDBE-XHSDSOJGSA-N 2 0 345.484 -0.213 20 0 EBADRP CC[C@H](C(=O)N1CCCO[C@@H](C[NH2+]C[C@H](O)COC)C1)[NH+](C)C ZINC001200795442 836034909 /nfs/dbraw/zinc/03/49/09/836034909.db2.gz KBLLNNBGAAPXBV-SOUVJXGZSA-N 2 0 331.457 -0.459 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC([NH2+]Cc2nnnn2C)CC1 ZINC001200850198 836046922 /nfs/dbraw/zinc/04/69/22/836046922.db2.gz HHXQQGGDBFAVDY-CYBMUJFWSA-N 2 0 341.435 -0.029 20 0 EBADRP NC(=O)C[NH2+]C[C@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CCCO1 ZINC001200895870 836065203 /nfs/dbraw/zinc/06/52/03/836065203.db2.gz ZWLZTTJZCRJEIH-AWEZNQCLSA-N 2 0 331.376 -0.360 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)C1 ZINC001201226156 836112569 /nfs/dbraw/zinc/11/25/69/836112569.db2.gz VJAPHMYWQWQAHM-HUUCEWRRSA-N 2 0 340.468 -0.199 20 0 EBADRP CC[C@H](C(=O)N1CCC([NH2+][C@H](C)C(=O)NC(=O)NC)CC1)[NH+](C)C ZINC001201238982 836115762 /nfs/dbraw/zinc/11/57/62/836115762.db2.gz FTPPTKBXTXSTHM-DGCLKSJQSA-N 2 0 341.456 -0.249 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CCCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001201263276 836120338 /nfs/dbraw/zinc/12/03/38/836120338.db2.gz YICMCBCHSAFYOF-KBPBESRZSA-N 2 0 338.452 -0.576 20 0 EBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1)C(N)=O ZINC001201310202 836127424 /nfs/dbraw/zinc/12/74/24/836127424.db2.gz YDLOVXWWKYJVGH-TZMCWYRMSA-N 2 0 326.441 -0.591 20 0 EBADRP CC(C)CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201335432 836131031 /nfs/dbraw/zinc/13/10/31/836131031.db2.gz ONHPIBVLBOZGTF-HNNXBMFYSA-N 2 0 342.484 -0.083 20 0 EBADRP CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CC[NH+](C)C)CCCO2)C1=O ZINC001201334992 836131233 /nfs/dbraw/zinc/13/12/33/836131233.db2.gz MDCAWQCTCSSTQE-KGLIPLIRSA-N 2 0 326.441 -0.624 20 0 EBADRP CC[C@H](C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1)[NH+](CC)CC ZINC001201389839 836138044 /nfs/dbraw/zinc/13/80/44/836138044.db2.gz NCVUNVVZPYNXOS-UONOGXRCSA-N 2 0 328.457 -0.201 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCCO[C@H](C[NH2+]CCOCCO)C2)C1 ZINC001201401981 836139858 /nfs/dbraw/zinc/13/98/58/836139858.db2.gz AGADTDPQTPRRNL-HZPDHXFCSA-N 2 0 343.468 -0.456 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CCCO1 ZINC001201404499 836140876 /nfs/dbraw/zinc/14/08/76/836140876.db2.gz WBIUITZBOFKTSB-KGLIPLIRSA-N 2 0 326.441 -0.719 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001201403083 836141303 /nfs/dbraw/zinc/14/13/03/836141303.db2.gz HMXFUKYUIMFMMF-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCCO1 ZINC001201429955 836144942 /nfs/dbraw/zinc/14/49/42/836144942.db2.gz JLWZJGIIRMFOLZ-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP CC1CC[NH+](CC(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001201712106 836182342 /nfs/dbraw/zinc/18/23/42/836182342.db2.gz LIKPSFHMSRJFPL-CQSZACIVSA-N 2 0 326.441 -0.589 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CCCO[C@H](C[NH2+]CCO)C2)CC1 ZINC001201727416 836184264 /nfs/dbraw/zinc/18/42/64/836184264.db2.gz XCGRAXXGYAGGKM-OAHLLOKOSA-N 2 0 329.441 -0.703 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001201774533 836191009 /nfs/dbraw/zinc/19/10/09/836191009.db2.gz LSZVZMSTRZNIBU-OAHLLOKOSA-N 2 0 340.468 -0.201 20 0 EBADRP COCCOCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202057652 836243278 /nfs/dbraw/zinc/24/32/78/836243278.db2.gz GDOCLLCYPISQMR-HOTGVXAUSA-N 2 0 343.468 -0.192 20 0 EBADRP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202060541 836246802 /nfs/dbraw/zinc/24/68/02/836246802.db2.gz ZLZDMTAKERIKPO-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202060544 836247817 /nfs/dbraw/zinc/24/78/17/836247817.db2.gz ZLZDMTAKERIKPO-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCCO[C@@H](C[NH2+]CCCO)C1 ZINC001202071152 836248568 /nfs/dbraw/zinc/24/85/68/836248568.db2.gz WZVHWGKIQLRAFU-HOTGVXAUSA-N 2 0 343.468 -0.456 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC)C1 ZINC001202147719 836260907 /nfs/dbraw/zinc/26/09/07/836260907.db2.gz JWAFPTQGEDPCLL-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)nc1=O ZINC001202207288 836272719 /nfs/dbraw/zinc/27/27/19/836272719.db2.gz NPAZICAWBANVTA-UHFFFAOYSA-N 2 0 336.440 -0.469 20 0 EBADRP NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CCCO1 ZINC001202208159 836274227 /nfs/dbraw/zinc/27/42/27/836274227.db2.gz JRCUOGHTQPPIHI-OAHLLOKOSA-N 2 0 340.468 -0.055 20 0 EBADRP CCOCCNC(=O)C[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202316287 836290840 /nfs/dbraw/zinc/29/08/40/836290840.db2.gz UPBXNKJYDNUYMW-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP COCCOC[C@H](O)C[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202330073 836291977 /nfs/dbraw/zinc/29/19/77/836291977.db2.gz AQDLLKHSTDJSMO-OAHLLOKOSA-N 2 0 331.457 -0.457 20 0 EBADRP CC[C@@H](C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1)[NH+](CC)CC ZINC001202472782 836305434 /nfs/dbraw/zinc/30/54/34/836305434.db2.gz CPMZDHBULSXBAE-ZDUSSCGKSA-N 2 0 341.456 -0.118 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001202496529 836309005 /nfs/dbraw/zinc/30/90/05/836309005.db2.gz UUEXZWQYBSSMOS-LLVKDONJSA-N 2 0 325.413 -0.754 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203356809 836424336 /nfs/dbraw/zinc/42/43/36/836424336.db2.gz BSYHOKMDLDKBKI-GHMZBOCLSA-N 2 0 325.413 -0.850 20 0 EBADRP CN1CC[C@H]([NH2+]C2CCN(C(=O)COCC[NH+](C)C)CC2)C1=O ZINC001203354843 836424857 /nfs/dbraw/zinc/42/48/57/836424857.db2.gz IZDPZDOCYRSBKP-AWEZNQCLSA-N 2 0 326.441 -0.624 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CCS(C)(=O)=O)C12CCC2 ZINC001203359257 836425848 /nfs/dbraw/zinc/42/58/48/836425848.db2.gz QSSNYCOQCIQRKP-QWHCGFSZSA-N 2 0 331.482 0.000 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203359947 836426057 /nfs/dbraw/zinc/42/60/57/836426057.db2.gz VODGDDWYJCOLSI-VXGBXAGGSA-N 2 0 339.440 -0.589 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C12CCC2 ZINC001203358510 836426129 /nfs/dbraw/zinc/42/61/29/836426129.db2.gz JYDSBNHNPRSMKQ-ZIAGYGMSSA-N 2 0 337.468 -0.020 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203359946 836426542 /nfs/dbraw/zinc/42/65/42/836426542.db2.gz VODGDDWYJCOLSI-RYUDHWBXSA-N 2 0 339.440 -0.589 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC([NH2+]CCN2CCNC2=O)CC1 ZINC001203460692 836433460 /nfs/dbraw/zinc/43/34/60/836433460.db2.gz VRROJHDFQXYIIT-UHFFFAOYSA-N 2 0 325.457 -0.066 20 0 EBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)COCC[NH+](C)C)C12CCC2 ZINC001203614040 836453164 /nfs/dbraw/zinc/45/31/64/836453164.db2.gz HHUUYQGHLFHSQZ-KBPBESRZSA-N 2 0 340.468 -0.282 20 0 EBADRP CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)COCC[NH+](C)C)C12CCC2 ZINC001203614829 836454303 /nfs/dbraw/zinc/45/43/03/836454303.db2.gz LFXDUGFZJGLDSW-STQMWFEESA-N 2 0 326.441 -0.672 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203652210 836458192 /nfs/dbraw/zinc/45/81/92/836458192.db2.gz SGAMXCYQRTVSED-VXGBXAGGSA-N 2 0 339.440 -0.460 20 0 EBADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)C(=O)NC(N)=O ZINC001203699724 836462796 /nfs/dbraw/zinc/46/27/96/836462796.db2.gz QYHJFOMGFDPAGK-GHMZBOCLSA-N 2 0 325.413 -0.898 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]CCCS(C)(=O)=O)CC2)C1 ZINC001203699502 836463041 /nfs/dbraw/zinc/46/30/41/836463041.db2.gz NHMWZNQOJZHOMZ-ZDUSSCGKSA-N 2 0 331.482 -0.047 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001203709452 836465668 /nfs/dbraw/zinc/46/56/68/836465668.db2.gz RQEOFTPDOYWMFK-KGLIPLIRSA-N 2 0 340.468 -0.330 20 0 EBADRP CNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001205345735 836559891 /nfs/dbraw/zinc/55/98/91/836559891.db2.gz XMLPJUXDVKTPMA-CABCVRRESA-N 2 0 338.452 -0.576 20 0 EBADRP NC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001205719158 836590174 /nfs/dbraw/zinc/59/01/74/836590174.db2.gz BTBKTDAPOXRKSK-UUCFBXCCSA-N 2 0 336.436 -0.837 20 0 EBADRP CC[C@@H](C(=O)N1CCC(C[NH2+]CCNS(C)(=O)=O)CC1)[NH+](C)C ZINC001206301812 836637959 /nfs/dbraw/zinc/63/79/59/836637959.db2.gz RNKZIYMNOCTEBG-AWEZNQCLSA-N 2 0 348.513 -0.296 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC(C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001206930240 836716063 /nfs/dbraw/zinc/71/60/63/836716063.db2.gz YXGSKYFWMIBLSB-KGLIPLIRSA-N 2 0 340.468 -0.343 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCNS(=O)(=O)CC)C1)[NH+](C)C ZINC001208414639 837027275 /nfs/dbraw/zinc/02/72/75/837027275.db2.gz UOTLUPYOUBKEOE-ZIAGYGMSSA-N 2 0 348.513 -0.154 20 0 EBADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208494038 837065418 /nfs/dbraw/zinc/06/54/18/837065418.db2.gz CBHARPGOAAAYNM-QLFBSQMISA-N 2 0 331.457 -0.602 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CCC[C@H]([NH2+]CCS(C)(=O)=O)C2)CC1 ZINC001209277730 837150111 /nfs/dbraw/zinc/15/01/11/837150111.db2.gz KHPLVLUQBWZXPY-ZDUSSCGKSA-N 2 0 331.482 -0.047 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001209323922 837155762 /nfs/dbraw/zinc/15/57/62/837155762.db2.gz NHSHSKIAILZJCI-CYBMUJFWSA-N 2 0 339.440 -0.539 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001209447370 837167549 /nfs/dbraw/zinc/16/75/49/837167549.db2.gz ZIQJURMYFQWSLQ-ZDUSSCGKSA-N 2 0 339.440 -0.493 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001209454448 837168309 /nfs/dbraw/zinc/16/83/09/837168309.db2.gz LMUNTXMHLHJPSR-LBPRGKRZSA-N 2 0 325.413 -0.930 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001209446481 837168320 /nfs/dbraw/zinc/16/83/20/837168320.db2.gz RQHCJVZNBFSPDN-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001209631568 837183241 /nfs/dbraw/zinc/18/32/41/837183241.db2.gz DYJRWSCDFGMSQG-UONOGXRCSA-N 2 0 346.497 -0.400 20 0 EBADRP C[N@H+](CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1)CC(C)(C)C ZINC001209691499 837190337 /nfs/dbraw/zinc/19/03/37/837190337.db2.gz WKSFDUDXKXNDFS-LBPRGKRZSA-N 2 0 341.456 -0.260 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001209715782 837193808 /nfs/dbraw/zinc/19/38/08/837193808.db2.gz LFUBQGYETZDFGZ-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209835893 837202848 /nfs/dbraw/zinc/20/28/48/837202848.db2.gz DUJJGCJIIPLRRO-IJEWVQPXSA-N 2 0 343.468 -0.459 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1C ZINC001210040438 837228393 /nfs/dbraw/zinc/22/83/93/837228393.db2.gz HHAAIMAMCSTXIB-GDBMZVCRSA-N 2 0 342.484 -0.083 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001210221314 837255970 /nfs/dbraw/zinc/25/59/70/837255970.db2.gz ZOFZSCGALBTXSI-CQSZACIVSA-N 2 0 348.513 -0.200 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001210219833 837256649 /nfs/dbraw/zinc/25/66/49/837256649.db2.gz UNEJBSBRBAXWTD-NWDGAFQWSA-N 2 0 327.429 -0.508 20 0 EBADRP C[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315198 837269848 /nfs/dbraw/zinc/26/98/48/837269848.db2.gz LWCCWOFWVJVXJX-MGPQQGTHSA-N 2 0 326.441 -0.720 20 0 EBADRP CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001210338749 837273391 /nfs/dbraw/zinc/27/33/91/837273391.db2.gz IMIXZWQNWWGKJD-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001210493169 837290975 /nfs/dbraw/zinc/29/09/75/837290975.db2.gz IBEQFIZHRLWUOV-CYBMUJFWSA-N 2 0 341.456 -0.246 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001210494016 837291069 /nfs/dbraw/zinc/29/10/69/837291069.db2.gz RAFONSUBACYBNG-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001210674578 837315075 /nfs/dbraw/zinc/31/50/75/837315075.db2.gz ZNWANJAHHCBXTH-ZIAGYGMSSA-N 2 0 331.482 -0.047 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001210674577 837315121 /nfs/dbraw/zinc/31/51/21/837315121.db2.gz ZNWANJAHHCBXTH-UONOGXRCSA-N 2 0 331.482 -0.047 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001210674153 837317195 /nfs/dbraw/zinc/31/71/95/837317195.db2.gz OCXSGOACYITEFF-NEPJUHHUSA-N 2 0 325.413 -0.896 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001210685368 837320794 /nfs/dbraw/zinc/32/07/94/837320794.db2.gz UPFIDSLGTRWEQI-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)COCC[NH+](C)C)C2)C1=O ZINC001210685732 837320797 /nfs/dbraw/zinc/32/07/97/837320797.db2.gz YBRDTGXTSJNDIS-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001210743615 837327731 /nfs/dbraw/zinc/32/77/31/837327731.db2.gz JYDCDWSAJLTPQX-AWEZNQCLSA-N 2 0 348.513 -0.152 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001211046630 837374729 /nfs/dbraw/zinc/37/47/29/837374729.db2.gz SGMINWCGNAFJFC-BZUAXINKSA-N 2 0 343.468 -0.600 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)Nc3cnccn3)C2)C1 ZINC001211063812 837376907 /nfs/dbraw/zinc/37/69/07/837376907.db2.gz APOCSDJLCZEUPF-KBPBESRZSA-N 2 0 346.435 -0.053 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213922151 837902078 /nfs/dbraw/zinc/90/20/78/837902078.db2.gz UVEYRLFUTNIQSV-BZUAXINKSA-N 2 0 343.468 -0.315 20 0 EBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]CCN(C)S(C)(=O)=O ZINC001319224431 838089133 /nfs/dbraw/zinc/08/91/33/838089133.db2.gz HIHZSAXGJPMFHE-QWHCGFSZSA-N 2 0 334.486 -0.686 20 0 EBADRP C[C@@H](C[NH2+]CCCN1C(=O)CNC1=O)N(C)C(=O)C[NH+]1CCCC1 ZINC001319572240 838151208 /nfs/dbraw/zinc/15/12/08/838151208.db2.gz BYZCHIRCFKPHAM-ZDUSSCGKSA-N 2 0 339.440 -0.539 20 0 EBADRP C[C@H](CC[NH2+]CCN1CCCS1(=O)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320514821 838783273 /nfs/dbraw/zinc/78/32/73/838783273.db2.gz BARDANWKDMAQAD-ZIAGYGMSSA-N 2 0 346.497 -0.400 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCN(CC)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001320840490 838847189 /nfs/dbraw/zinc/84/71/89/838847189.db2.gz KZRWBYSNPAVBQV-CYBMUJFWSA-N 2 0 341.456 -0.388 20 0 EBADRP CS(=O)(=O)NCC[NH2+]C/C=C\CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001321065936 838896335 /nfs/dbraw/zinc/89/63/35/838896335.db2.gz WZIKIAFRXRUHAF-PYLYLYNFSA-N 2 0 344.481 -0.861 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NC(N)=O ZINC001321137503 838919326 /nfs/dbraw/zinc/91/93/26/838919326.db2.gz SGPWWFHCIAUBDA-SCOBNMCVSA-N 2 0 339.440 -0.436 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NC(N)=O ZINC001321279685 838949185 /nfs/dbraw/zinc/94/91/85/838949185.db2.gz JYVWHWKQCJHIAN-DSYXLKISSA-N 2 0 339.440 -0.294 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001321394087 838981518 /nfs/dbraw/zinc/98/15/18/838981518.db2.gz VJWCBASNYSHTJE-JQSFKPKSSA-N 2 0 339.440 -0.566 20 0 EBADRP C[C@H]([NH2+]C/C=C/CNC(=O)CC[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001321418027 838987814 /nfs/dbraw/zinc/98/78/14/838987814.db2.gz XHZIYWDYHBGQFZ-OOPCZODUSA-N 2 0 339.440 -0.292 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCN1C(=O)CNC1=O ZINC001321756246 839069775 /nfs/dbraw/zinc/06/97/75/839069775.db2.gz KZFXQJTVEDGQFP-OLZOCXBDSA-N 2 0 339.440 -0.493 20 0 EBADRP CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCN1C(=O)CCC1=O)[NH+](C)C ZINC001322281341 839166366 /nfs/dbraw/zinc/16/63/66/839166366.db2.gz NUCTZBFKDRDWTE-STQMWFEESA-N 2 0 326.441 -0.088 20 0 EBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC001322696465 839236140 /nfs/dbraw/zinc/23/61/40/839236140.db2.gz XCZRNTIDOKBUKQ-HUUCEWRRSA-N 2 0 339.484 -0.851 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C2CC2)CC1 ZINC001323063465 839339642 /nfs/dbraw/zinc/33/96/42/839339642.db2.gz FCRTYVCLYQQHSF-UONOGXRCSA-N 2 0 336.436 -0.382 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001323399898 839432133 /nfs/dbraw/zinc/43/21/33/839432133.db2.gz LAPFQHMPRFPRFB-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2C[NH2+]CCS(C)(=O)=O)C1 ZINC001324261926 839618515 /nfs/dbraw/zinc/61/85/15/839618515.db2.gz VKTLWKWDWIUNCE-KBPBESRZSA-N 2 0 331.482 -0.047 20 0 EBADRP Cc1ncc(C[NH2+]CCN(CCO)C(=O)C23CC[NH+](CC2)C3)cn1 ZINC001326135034 840044591 /nfs/dbraw/zinc/04/45/91/840044591.db2.gz NHMFHGBGHGIJHN-UHFFFAOYSA-N 2 0 333.436 -0.209 20 0 EBADRP [NH3+]Cc1ccccc1CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001326807374 840205337 /nfs/dbraw/zinc/20/53/37/840205337.db2.gz NHCTVOIZMHCRKD-LSDHHAIUSA-N 2 0 332.404 -0.961 20 0 EBADRP CC(C)[C@H](C(=O)N1CCO[C@H](C[NH2+]CCn2cncn2)C1)[NH+](C)C ZINC001327033053 840278541 /nfs/dbraw/zinc/27/85/41/840278541.db2.gz AOLDUFMCWZMZIX-HUUCEWRRSA-N 2 0 338.456 -0.319 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CCO1 ZINC001327078555 840293001 /nfs/dbraw/zinc/29/30/01/840293001.db2.gz FHJQPJNPOUIGNA-OAHLLOKOSA-N 2 0 340.468 -0.185 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cn(CCCC[NH3+])nn1 ZINC001327569993 840459322 /nfs/dbraw/zinc/45/93/22/840459322.db2.gz LXPVNFYRFMWZPQ-UHFFFAOYSA-N 2 0 339.444 -0.891 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@](CO)([NH2+]CCOCCO)C2)C1 ZINC001327603019 840470557 /nfs/dbraw/zinc/47/05/57/840470557.db2.gz JZMGUXJPSVONFN-DOTOQJQBSA-N 2 0 343.468 -0.720 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001327940703 840553794 /nfs/dbraw/zinc/55/37/94/840553794.db2.gz CCOILQGYAYTWNA-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CCN2CCNC2=O)C1 ZINC001328875429 840775960 /nfs/dbraw/zinc/77/59/60/840775960.db2.gz GFXHFLQYODBQCI-NRXISQOPSA-N 2 0 337.468 -0.020 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC001329551206 840950726 /nfs/dbraw/zinc/95/07/26/840950726.db2.gz CXMNMGYWPGHMQP-HRCADAONSA-N 2 0 345.447 -0.198 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001330532815 841230726 /nfs/dbraw/zinc/23/07/26/841230726.db2.gz SLTIWTVXLGVESH-SCRDCRAPSA-N 2 0 326.441 -0.402 20 0 EBADRP C[NH+]1CCC(NC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC001330820413 841278580 /nfs/dbraw/zinc/27/85/80/841278580.db2.gz AZVBQQWILDKITP-HNNXBMFYSA-N 2 0 338.452 -0.746 20 0 EBADRP C[C@H](CCC[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001330834412 841279687 /nfs/dbraw/zinc/27/96/87/841279687.db2.gz CEKFCQBEVBCYCV-NEPJUHHUSA-N 2 0 341.456 -0.071 20 0 EBADRP C[C@@H](CCC[NH2+]CC(=O)NC(N)=O)NC(=O)C[NH+]1CCC(C)CC1 ZINC001330943722 841300293 /nfs/dbraw/zinc/30/02/93/841300293.db2.gz APZTZPFHMABWOR-ZDUSSCGKSA-N 2 0 341.456 -0.212 20 0 EBADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC001331591135 841434619 /nfs/dbraw/zinc/43/46/19/841434619.db2.gz WVSYGZKRQSCGTD-OAHLLOKOSA-N 2 0 340.468 -0.058 20 0 EBADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC001331604801 841437050 /nfs/dbraw/zinc/43/70/50/841437050.db2.gz VIOKIEHUAFSQPD-KKUMJFAQSA-N 2 0 339.484 -0.772 20 0 EBADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC001331730879 841474576 /nfs/dbraw/zinc/47/45/76/841474576.db2.gz ILEQFDCZBCTSAT-CYBMUJFWSA-N 2 0 326.441 -0.541 20 0 EBADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001331960055 841538954 /nfs/dbraw/zinc/53/89/54/841538954.db2.gz PXLGHXFQMUQNJN-GOSISDBHSA-N 3 0 341.544 -0.398 20 0 EBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cn(CCCC[NH3+])nn3)CC2)C1 ZINC001332124542 841578886 /nfs/dbraw/zinc/57/88/86/841578886.db2.gz ILOMPXSAERUBQC-OAHLLOKOSA-N 2 0 349.483 -0.131 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC001332251138 841599470 /nfs/dbraw/zinc/59/94/70/841599470.db2.gz PXBDPFQHQUXCIH-ZIAGYGMSSA-N 2 0 339.484 -0.757 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)C[C@H]1[NH3+] ZINC001332415524 841636723 /nfs/dbraw/zinc/63/67/23/841636723.db2.gz DFBDLLBSGXBKON-TZMCWYRMSA-N 2 0 331.420 -0.028 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2CNC(=O)CC[NH2+]CCO)C1 ZINC001333165793 841809099 /nfs/dbraw/zinc/80/90/99/841809099.db2.gz NDZPVGZJDYLGFJ-GJZGRUSLSA-N 2 0 340.468 -0.593 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH2+]CCO)C1 ZINC001333165795 841809784 /nfs/dbraw/zinc/80/97/84/841809784.db2.gz NDZPVGZJDYLGFJ-HUUCEWRRSA-N 2 0 340.468 -0.593 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC001333448842 841883773 /nfs/dbraw/zinc/88/37/73/841883773.db2.gz SVTHXIJNOLVXDZ-AAVRWANBSA-N 2 0 326.441 -0.545 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001333627350 841919731 /nfs/dbraw/zinc/91/97/31/841919731.db2.gz WLCDQFHWKVKEFA-ZFWWWQNUSA-N 3 0 339.484 -0.533 20 0 EBADRP CCN(C(=O)C(=O)NC1CC[NH+](CCOC)CC1)[C@@H]1CC[NH2+]C1 ZINC001333909913 841964117 /nfs/dbraw/zinc/96/41/17/841964117.db2.gz OIHUSTSGXFZJRE-CQSZACIVSA-N 2 0 326.441 -0.576 20 0 EBADRP COC[C@H](C)NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001333943212 841972240 /nfs/dbraw/zinc/97/22/40/841972240.db2.gz WQAUCZIHMLRJCJ-ZFWWWQNUSA-N 2 0 340.468 -0.236 20 0 EBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001334018828 841984387 /nfs/dbraw/zinc/98/43/87/841984387.db2.gz IFGOUCWWHLNVQB-ZIAGYGMSSA-N 2 0 340.468 -0.322 20 0 EBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)C1 ZINC001334055663 841990078 /nfs/dbraw/zinc/99/00/78/841990078.db2.gz NUNYFXNCGJOEND-CYBMUJFWSA-N 2 0 331.420 -0.013 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC([NH2+]C2CCN(CC[NH3+])CC2)CC1 ZINC001334754199 842125687 /nfs/dbraw/zinc/12/56/87/842125687.db2.gz LXOPLYNAAVFOPY-UHFFFAOYSA-N 3 0 325.501 -0.010 20 0 EBADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC001334788622 842131692 /nfs/dbraw/zinc/13/16/92/842131692.db2.gz QLSDYJMXMMIQEG-RRFJBIMHSA-N 2 0 338.452 -0.888 20 0 EBADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)NCCCC[NH+]1CCOCC1)C2 ZINC001335220027 842230534 /nfs/dbraw/zinc/23/05/34/842230534.db2.gz ATNHACBZVOVHNP-KKUMJFAQSA-N 2 0 338.452 -0.447 20 0 EBADRP O=C(NCC[NH+]1CC=CC1)[C@@H]1CC[C@H]1C(=O)NCC[NH+]1CC=CC1 ZINC001335513965 842297717 /nfs/dbraw/zinc/29/77/17/842297717.db2.gz YXTHLAAGMIRDAV-HZPDHXFCSA-N 2 0 332.448 -0.011 20 0 EBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCCCCCN2CC[NH2+]CC2)CCO1 ZINC001335626822 842318733 /nfs/dbraw/zinc/31/87/33/842318733.db2.gz CCTHAKKNLAFQRO-CABCVRRESA-N 2 0 327.473 -0.181 20 0 EBADRP C[NH2+]C1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC001336293461 842430465 /nfs/dbraw/zinc/43/04/65/842430465.db2.gz CXDMUOOSMUVMRG-LSDHHAIUSA-N 2 0 338.452 -0.746 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001336660318 842531161 /nfs/dbraw/zinc/53/11/61/842531161.db2.gz WNDUJWIDWTWVAY-SOUVJXGZSA-N 2 0 340.468 -0.473 20 0 EBADRP CC1(C)CN(C(=O)C(=O)N[C@H]2CCCN3CCSC[C@H]23)CC[NH2+]1 ZINC001336669918 842532396 /nfs/dbraw/zinc/53/23/96/842532396.db2.gz DRKKWXPNMMLAPG-QWHCGFSZSA-N 2 0 340.493 -0.107 20 0 EBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@H]1CNOC1 ZINC001336800349 842544865 /nfs/dbraw/zinc/54/48/65/842544865.db2.gz GSRNOIYLLUOQON-AWEZNQCLSA-N 2 0 334.424 -0.204 20 0 EBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H]3C[NH3+])C2)CC1 ZINC001337388880 842608727 /nfs/dbraw/zinc/60/87/27/842608727.db2.gz ZALJMKCZZKSDGV-UKRRQHHQSA-N 2 0 337.468 -0.779 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001337486558 842619855 /nfs/dbraw/zinc/61/98/55/842619855.db2.gz VVIMJVWGSUVHAT-HPCHECBXSA-N 2 0 326.441 -0.546 20 0 EBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)CC1 ZINC001337851559 842709178 /nfs/dbraw/zinc/70/91/78/842709178.db2.gz VQICMVSOEHCDAH-UHFFFAOYSA-N 2 0 340.468 -0.058 20 0 EBADRP C[C@H]1C[C@H](NC(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)CC[N@@H+]1C ZINC001338276693 842774969 /nfs/dbraw/zinc/77/49/69/842774969.db2.gz FCXOUXOBLBDSMX-QWHCGFSZSA-N 2 0 326.441 -0.448 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC001338352761 842785963 /nfs/dbraw/zinc/78/59/63/842785963.db2.gz CXDQWPBNTQTELZ-UHFFFAOYSA-N 2 0 328.457 -0.471 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001340076518 842968733 /nfs/dbraw/zinc/96/87/33/842968733.db2.gz FLMBLDJHRYQTLL-HNNXBMFYSA-N 2 0 340.468 -0.199 20 0 EBADRP O=C(C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21)NCCC[NH+]1CCCC1 ZINC001340148982 842976238 /nfs/dbraw/zinc/97/62/38/842976238.db2.gz AMLDACANKLTPFD-MCIONIFRSA-N 2 0 329.466 -0.389 20 0 EBADRP CN1CC[NH2+]C[C@@H]1C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC001340471618 843000330 /nfs/dbraw/zinc/00/03/30/843000330.db2.gz NFFYGKMDFRNJBH-MRXNPFEDSA-N 2 0 347.463 -0.187 20 0 EBADRP C[C@@H]1COCC[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001342765313 843179529 /nfs/dbraw/zinc/17/95/29/843179529.db2.gz DCRMWHMZOCXKRU-ZIAGYGMSSA-N 2 0 328.457 -0.521 20 0 EBADRP C[C@H]1SCC[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001345919803 843462212 /nfs/dbraw/zinc/46/22/12/843462212.db2.gz OPVXSJWSZBLMTP-OLZOCXBDSA-N 2 0 330.498 -0.052 20 0 EBADRP C[C@H](NC(=O)NCCN(C)CCC[NH+](C)C)[C@H]1C[N@H+](C)CCN1C ZINC001346766433 843550118 /nfs/dbraw/zinc/55/01/18/843550118.db2.gz INFQVVPAFRLGKL-JKSUJKDBSA-N 2 0 342.532 -0.197 20 0 EBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)CCC[NH+](C)CCN(C)C ZINC001346983020 843574984 /nfs/dbraw/zinc/57/49/84/843574984.db2.gz AEYVKMNIDAPRGB-CVEARBPZSA-N 2 0 325.501 -0.283 20 0 EBADRP C[C@@H]1C[NH+](CCO)CCN1C/C=C/CN1CC[N@@H+](CCO)C[C@@H]1C ZINC001347194020 843599684 /nfs/dbraw/zinc/59/96/84/843599684.db2.gz NWSJSXSFBNDJJQ-GEWVGOBGSA-N 2 0 340.512 -0.461 20 0 EBADRP CN1CCO[C@H](C(=O)NCCNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001348702719 843738246 /nfs/dbraw/zinc/73/82/46/843738246.db2.gz WOZZTLWTOZDBIM-AWEZNQCLSA-N 2 0 331.376 -0.489 20 0 EBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC001348843520 843756942 /nfs/dbraw/zinc/75/69/42/843756942.db2.gz QEDFMPUVXVPJFU-DOTOQJQBSA-N 2 0 337.512 -0.236 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001349023526 843792270 /nfs/dbraw/zinc/79/22/70/843792270.db2.gz HOFVBEPZPKHWOU-UONOGXRCSA-N 2 0 326.441 -0.861 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)C[C@H]2[NH3+])cn1 ZINC001349844606 843943571 /nfs/dbraw/zinc/94/35/71/843943571.db2.gz IOLCTVZFOJMXAX-PMOUVXMZSA-N 2 0 348.451 -0.870 20 0 EBADRP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001349890295 843946864 /nfs/dbraw/zinc/94/68/64/843946864.db2.gz QLHHSGSOESUESL-XGUBFFRZSA-N 2 0 338.452 -0.747 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574925960 948978789 /nfs/dbraw/zinc/97/87/89/948978789.db2.gz FMPCMHVQQMKGLX-NSHDSACASA-N 2 0 332.412 -0.060 20 0 EBADRP Cc1c(C(=O)N(C)CC[NH2+]CC(=O)NC(N)=O)ccc2c[nH+]cn21 ZINC001691374001 1125855134 /nfs/dbraw/zinc/85/51/34/1125855134.db2.gz LZGGXSFGSCUEEF-UHFFFAOYSA-N 2 0 332.364 -0.501 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001408575971 1125870391 /nfs/dbraw/zinc/87/03/91/1125870391.db2.gz SQWAIFNFVXOGOV-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)CC(=O)NCc1cccnc1 ZINC001480946278 1125889009 /nfs/dbraw/zinc/88/90/09/1125889009.db2.gz LTHMQKMSPBBXLX-HNNXBMFYSA-N 2 0 333.436 -0.303 20 0 EBADRP C[N@H+](CCNC(=O)C[NH+]1CCCC1)CC[C@@H]1CCS(=O)(=O)C1 ZINC001480946823 1125889068 /nfs/dbraw/zinc/88/90/68/1125889068.db2.gz AYUXAYPVKNNZMU-CQSZACIVSA-N 2 0 331.482 -0.045 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)N(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001480946181 1125889089 /nfs/dbraw/zinc/88/90/89/1125889089.db2.gz LKLQJUUMIITEED-NEPJUHHUSA-N 2 0 327.429 -0.780 20 0 EBADRP CN(CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CN(C)CCO1 ZINC001408618387 1125891859 /nfs/dbraw/zinc/89/18/59/1125891859.db2.gz YHZPDZOYLVQYRJ-ZIAGYGMSSA-N 2 0 326.441 -0.624 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001481095915 1125920863 /nfs/dbraw/zinc/92/08/63/1125920863.db2.gz NHDNGGQXAMXSPB-RYUDHWBXSA-N 2 0 345.419 -0.701 20 0 EBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)CCO1 ZINC001481109581 1125923471 /nfs/dbraw/zinc/92/34/71/1125923471.db2.gz SJAGLMLULWHCJD-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP CN(CC[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001481215494 1125945186 /nfs/dbraw/zinc/94/51/86/1125945186.db2.gz JREBLYXXXVNOQJ-KBPBESRZSA-N 2 0 348.451 -0.332 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001481275038 1125961730 /nfs/dbraw/zinc/96/17/30/1125961730.db2.gz AWPOZYOIPVMDGI-LBPRGKRZSA-N 2 0 341.456 -0.390 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001481280023 1125963147 /nfs/dbraw/zinc/96/31/47/1125963147.db2.gz NEVRWKORBXZZTP-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001481286811 1125966009 /nfs/dbraw/zinc/96/60/09/1125966009.db2.gz BZFGRVHTEHHKOQ-OLZOCXBDSA-N 2 0 341.456 -0.119 20 0 EBADRP CCN(C)C(=O)C[NH2+]CCN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001481315413 1125971198 /nfs/dbraw/zinc/97/11/98/1125971198.db2.gz ZKJHCKUQZIVUOZ-CQSZACIVSA-N 2 0 328.457 -0.519 20 0 EBADRP C[C@H](C(=O)NC(N)=O)N1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001481527612 1126008366 /nfs/dbraw/zinc/00/83/66/1126008366.db2.gz XWVXNSGJDMWANM-IJLUTSLNSA-N 2 0 325.413 -0.755 20 0 EBADRP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC(=O)N1CCOCC1 ZINC001481812321 1126058723 /nfs/dbraw/zinc/05/87/23/1126058723.db2.gz KSCBKTUTWGJFBI-RBSFLKMASA-N 2 0 340.468 -0.330 20 0 EBADRP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCOCC1 ZINC001481873529 1126063677 /nfs/dbraw/zinc/06/36/77/1126063677.db2.gz AQOQHMGLZGEXRP-ZIAGYGMSSA-N 2 0 326.441 -0.719 20 0 EBADRP C[C@@H]([NH2+]C[C@@](C)(NC(=O)CC[NH+](C)C)C1CC1)C(=O)NC(N)=O ZINC001481940864 1126068490 /nfs/dbraw/zinc/06/84/90/1126068490.db2.gz KQIUYSSYEGOQQQ-MEBBXXQBSA-N 2 0 327.429 -0.604 20 0 EBADRP C[C@@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482282967 1126118620 /nfs/dbraw/zinc/11/86/20/1126118620.db2.gz HFZIXEQNSASTTH-BFHYXJOUSA-N 2 0 325.457 -0.212 20 0 EBADRP CCN1CCO[C@H](C(=O)N[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001409022147 1126156211 /nfs/dbraw/zinc/15/62/11/1126156211.db2.gz DCFJHMABHVJQQC-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001409053453 1126166200 /nfs/dbraw/zinc/16/62/00/1126166200.db2.gz LYHOVSDPHOHNNN-OCCSQVGLSA-N 2 0 328.432 -0.055 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001409053452 1126166350 /nfs/dbraw/zinc/16/63/50/1126166350.db2.gz LYHOVSDPHOHNNN-JSGCOSHPSA-N 2 0 328.432 -0.055 20 0 EBADRP CC[C@H](C(=O)NC1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1)[NH+](C)C ZINC001409082786 1126187463 /nfs/dbraw/zinc/18/74/63/1126187463.db2.gz IUCOILKMBOCNRM-UKRRQHHQSA-N 2 0 340.468 -0.378 20 0 EBADRP CC(C)[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC(=O)NC(N)=O ZINC001482532274 1126191525 /nfs/dbraw/zinc/19/15/25/1126191525.db2.gz QUJQWTXVFYRIFB-CHWSQXEVSA-N 2 0 339.440 -0.747 20 0 EBADRP CCNC(=O)NC(=O)CN(C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001482585389 1126202953 /nfs/dbraw/zinc/20/29/53/1126202953.db2.gz QVXOLRXRQYFCJK-LBPRGKRZSA-N 2 0 327.429 -0.684 20 0 EBADRP O=C(Cn1ccnc1)NCC1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001409155451 1126218217 /nfs/dbraw/zinc/21/82/17/1126218217.db2.gz SCZZXWDSGFLBCL-OAHLLOKOSA-N 2 0 331.420 -0.201 20 0 EBADRP Cc1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cn1 ZINC001482730086 1126269110 /nfs/dbraw/zinc/26/91/10/1126269110.db2.gz SLFQFGKZFBFZKJ-JKSUJKDBSA-N 2 0 333.436 -0.306 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cnns1 ZINC001482798503 1126294398 /nfs/dbraw/zinc/29/43/98/1126294398.db2.gz HVFZJQRJLPGYMK-YPMHNXCESA-N 2 0 327.454 -0.021 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001482868013 1126299238 /nfs/dbraw/zinc/29/92/38/1126299238.db2.gz ONTRYIKHYVJXAI-NEPJUHHUSA-N 2 0 341.456 -0.343 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001482875879 1126299319 /nfs/dbraw/zinc/29/93/19/1126299319.db2.gz CEXUZHGDXNSCBI-LBPRGKRZSA-N 2 0 341.456 -0.342 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001482875878 1126299438 /nfs/dbraw/zinc/29/94/38/1126299438.db2.gz CEXUZHGDXNSCBI-GFCCVEGCSA-N 2 0 341.456 -0.342 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001482892255 1126300782 /nfs/dbraw/zinc/30/07/82/1126300782.db2.gz RZBILJHYWWOCQD-LLVKDONJSA-N 2 0 325.413 -0.978 20 0 EBADRP C[C@@H](CC[NH2+]CCN1C(=O)CCC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001482893109 1126301153 /nfs/dbraw/zinc/30/11/53/1126301153.db2.gz WUAAKDWNRBIOQT-ZDUSSCGKSA-N 2 0 336.436 -0.284 20 0 EBADRP CCN(CC[NH2+]CC(=O)N1CCO[C@H](C)C1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001482913768 1126302453 /nfs/dbraw/zinc/30/24/53/1126302453.db2.gz CAYATPGAOIHUOB-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001409481383 1126370667 /nfs/dbraw/zinc/37/06/67/1126370667.db2.gz WYHJNAQMFRRPDO-KGLIPLIRSA-N 2 0 328.457 -0.332 20 0 EBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001409645173 1126387216 /nfs/dbraw/zinc/38/72/16/1126387216.db2.gz OLQQRVYTJOUWFC-QWRGUYRKSA-N 2 0 325.413 -0.898 20 0 EBADRP C[C@H](CNC(=O)CCN1CCOCC1)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001409654671 1126388714 /nfs/dbraw/zinc/38/87/14/1126388714.db2.gz ABCUJDNJWYIMLI-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001483296500 1126415046 /nfs/dbraw/zinc/41/50/46/1126415046.db2.gz IUJCRTFKSFAIOW-RYUDHWBXSA-N 2 0 329.445 -0.345 20 0 EBADRP CN(CCC[NH2+]CC(=O)N1CCOCC1)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001483471965 1126429569 /nfs/dbraw/zinc/42/95/69/1126429569.db2.gz NVQPPXTYBMCAAJ-ZIAGYGMSSA-N 2 0 349.435 -0.190 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCS(C)(=O)=O)C1CC1 ZINC001483551386 1126433123 /nfs/dbraw/zinc/43/31/23/1126433123.db2.gz ZIMZFZXTVPJTQD-KBPBESRZSA-N 2 0 331.482 0.000 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]CC(=O)N1CCOCC1)C1CC1 ZINC001483605720 1126439317 /nfs/dbraw/zinc/43/93/17/1126439317.db2.gz QSJBWVRJKQNCMW-HNNXBMFYSA-N 2 0 338.452 -0.575 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001483789995 1126477318 /nfs/dbraw/zinc/47/73/18/1126477318.db2.gz AGZFNBFTKPYBQD-VXGBXAGGSA-N 2 0 339.440 -0.589 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1([NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001483790800 1126477650 /nfs/dbraw/zinc/47/76/50/1126477650.db2.gz MNAJIMPMLBNMKM-KGLIPLIRSA-N 2 0 338.452 -0.576 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCN(C)S(C)(=O)=O)[NH+](C)C ZINC001483933607 1126490735 /nfs/dbraw/zinc/49/07/35/1126490735.db2.gz DFWBZGUWTQZXDP-UONOGXRCSA-N 2 0 348.513 -0.201 20 0 EBADRP CC1(NC(=O)C[NH+]2CCCC2)CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001483975751 1126494507 /nfs/dbraw/zinc/49/45/07/1126494507.db2.gz PALDHJVZIUVTKI-ZDUSSCGKSA-N 2 0 336.436 -0.142 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CCOCC1 ZINC001484191528 1126512952 /nfs/dbraw/zinc/51/29/52/1126512952.db2.gz SWXZETWATXWKGQ-ZDUSSCGKSA-N 2 0 326.441 -0.399 20 0 EBADRP CNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001484235588 1126535276 /nfs/dbraw/zinc/53/52/76/1126535276.db2.gz KVXKDGPZINWWRB-DYVFJYSZSA-N 2 0 342.484 -0.348 20 0 EBADRP C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001484339639 1126564012 /nfs/dbraw/zinc/56/40/12/1126564012.db2.gz YTWSYRLPVYYGTG-VXGBXAGGSA-N 2 0 339.440 -0.508 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NC(N)=O)C2 ZINC001484319041 1126563037 /nfs/dbraw/zinc/56/30/37/1126563037.db2.gz VJNKSQPFGUBXAW-TUAOUCFPSA-N 2 0 325.413 -0.898 20 0 EBADRP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001484378278 1126566375 /nfs/dbraw/zinc/56/63/75/1126566375.db2.gz WNEJZPGRUSIRBS-AAEUAGOBSA-N 2 0 339.440 -0.793 20 0 EBADRP CC[C@H]([NH2+]C1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001484423589 1126573872 /nfs/dbraw/zinc/57/38/72/1126573872.db2.gz PZFJSMTYUHSBPJ-HIFRSBDPSA-N 2 0 339.484 -0.628 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C[C@@H]2C1 ZINC001484411689 1126570985 /nfs/dbraw/zinc/57/09/85/1126570985.db2.gz CPTFCFMMMBWEAI-SOUVJXGZSA-N 2 0 343.493 -0.237 20 0 EBADRP CCS(=O)(=O)NCC[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001484411653 1126571127 /nfs/dbraw/zinc/57/11/27/1126571127.db2.gz AVYUPRFCCGLMBT-OKILXGFUSA-N 2 0 346.497 -0.732 20 0 EBADRP COCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001484436109 1126578288 /nfs/dbraw/zinc/57/82/88/1126578288.db2.gz UHLLXFOYFWBNDW-RDJZCZTQSA-N 2 0 325.453 -0.082 20 0 EBADRP Cc1nccn1CC(=O)N[C@@]1(CO)CCC[N@H+](CCOCCO)C1 ZINC001484448800 1126585594 /nfs/dbraw/zinc/58/55/94/1126585594.db2.gz BEBCAVSFVVKWLR-INIZCTEOSA-N 2 0 340.424 -0.856 20 0 EBADRP CNC(=O)C[NH2+]CCN(CCO)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001484488969 1126592937 /nfs/dbraw/zinc/59/29/37/1126592937.db2.gz XJTMMPIQWJUGIH-UHFFFAOYSA-N 2 0 346.391 -0.963 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)N(CCO)CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001484491487 1126594231 /nfs/dbraw/zinc/59/42/31/1126594231.db2.gz RLZCBJJLWLKFEQ-LSDHHAIUSA-N 2 0 340.468 -0.593 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N(CCO)CC[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001484499618 1126598658 /nfs/dbraw/zinc/59/86/58/1126598658.db2.gz AZRBRJBYXINOPX-ZIAGYGMSSA-N 2 0 336.440 -0.872 20 0 EBADRP C[C@@H]([NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(C)(C)C ZINC001484499751 1126599091 /nfs/dbraw/zinc/59/90/91/1126599091.db2.gz DGKYKKOXAIJMHQ-ZIAGYGMSSA-N 2 0 342.484 -0.348 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001484575433 1126604888 /nfs/dbraw/zinc/60/48/88/1126604888.db2.gz VIJCHUYQJIZKLY-JOCQHMNTSA-N 2 0 341.456 -0.214 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001484574904 1126604967 /nfs/dbraw/zinc/60/49/67/1126604967.db2.gz IGDSPXYFKHFFFC-JOCQHMNTSA-N 2 0 341.456 -0.212 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCN2CCNC2=O)C1 ZINC001484619588 1126611772 /nfs/dbraw/zinc/61/17/72/1126611772.db2.gz ITGHESGHEBMHOF-LSDHHAIUSA-N 2 0 337.468 -0.066 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCN2C(=O)CNC2=O)CCC1 ZINC001484628787 1126612303 /nfs/dbraw/zinc/61/23/03/1126612303.db2.gz ZNGFRDZBCFJLIF-LBPRGKRZSA-N 2 0 337.424 -0.739 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCO[C@H](C[NH2+]CCn3cncn3)C2)C1 ZINC001484692907 1126620081 /nfs/dbraw/zinc/62/00/81/1126620081.db2.gz PWWCQZYBANAULA-LSDHHAIUSA-N 2 0 336.440 -0.563 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCC1 ZINC001484663350 1126614909 /nfs/dbraw/zinc/61/49/09/1126614909.db2.gz QKTNOCVUIIMSCP-UHFFFAOYSA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CCO1 ZINC001484680387 1126616080 /nfs/dbraw/zinc/61/60/80/1126616080.db2.gz MKLVKKHNGPAWQV-LSDHHAIUSA-N 2 0 343.468 -0.457 20 0 EBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1)C(N)=O ZINC001484700859 1126622736 /nfs/dbraw/zinc/62/27/36/1126622736.db2.gz UOUZOSOCZUVFGB-ZIAGYGMSSA-N 2 0 326.441 -0.447 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H](C[NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001484697857 1126625005 /nfs/dbraw/zinc/62/50/05/1126625005.db2.gz YJSLSBMZHJMQOY-KGLIPLIRSA-N 2 0 328.457 -0.378 20 0 EBADRP CCn1nncc1C[NH2+][C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001484846604 1126643539 /nfs/dbraw/zinc/64/35/39/1126643539.db2.gz DNLXPZVDSOIMQW-INIZCTEOSA-N 2 0 338.456 -0.307 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@](CO)([NH2+]Cc2cnnn2C)C1 ZINC001484856875 1126645345 /nfs/dbraw/zinc/64/53/45/1126645345.db2.gz VQDOEVNBJPMSPD-INIZCTEOSA-N 2 0 338.456 -0.400 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCC[C@@](CO)([NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001484857362 1126645516 /nfs/dbraw/zinc/64/55/16/1126645516.db2.gz YINBWZQOQLUQAH-DOTOQJQBSA-N 2 0 340.468 -0.465 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@H](C)C2)CCOCC1 ZINC001484868256 1126648713 /nfs/dbraw/zinc/64/87/13/1126648713.db2.gz GOLGDNZVHCAUIQ-UONOGXRCSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001484903991 1126651740 /nfs/dbraw/zinc/65/17/40/1126651740.db2.gz OTAAYXZPNOVCAB-QWHCGFSZSA-N 2 0 339.440 -0.650 20 0 EBADRP CCNC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001484964438 1126657221 /nfs/dbraw/zinc/65/72/21/1126657221.db2.gz MARYEIFYEVEDQO-ZDUSSCGKSA-N 2 0 326.441 -0.983 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(O)(C[NH2+]CC(=O)N3CCC3)CC2)C1 ZINC001484964915 1126657245 /nfs/dbraw/zinc/65/72/45/1126657245.db2.gz WSZFVDQNQLEHKS-CQSZACIVSA-N 2 0 338.452 -0.887 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC(C)([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001484926443 1126653049 /nfs/dbraw/zinc/65/30/49/1126653049.db2.gz CMFMLRAWHCNDBP-UHFFFAOYSA-N 2 0 338.456 -0.079 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC(O)(C[NH2+]CC(=O)N(C)C)CC1 ZINC001484962811 1126656792 /nfs/dbraw/zinc/65/67/92/1126656792.db2.gz HXGQHNVWFHVEFO-UHFFFAOYSA-N 2 0 328.457 -0.641 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+][C@H](C)C(N)=O)CC1 ZINC001484953628 1126658077 /nfs/dbraw/zinc/65/80/77/1126658077.db2.gz WQODOZDGVGMQIV-KGLIPLIRSA-N 2 0 340.468 -0.324 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCC(O)(C[NH2+]CCOCCO)CC2)CC1 ZINC001484958912 1126659118 /nfs/dbraw/zinc/65/91/18/1126659118.db2.gz AFKFSRLHXXSMLW-UHFFFAOYSA-N 2 0 343.468 -0.720 20 0 EBADRP C[C@@H]([NH2+]CC1(O)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1)C(N)=O ZINC001484959217 1126659187 /nfs/dbraw/zinc/65/91/87/1126659187.db2.gz LGSZTKYBJSXPFF-GFCCVEGCSA-N 2 0 326.441 -0.855 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CC1(O)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001484960362 1126659384 /nfs/dbraw/zinc/65/93/84/1126659384.db2.gz BYVKZOHPWRSRID-ZIAGYGMSSA-N 2 0 342.484 -0.350 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CC1(O)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001484959788 1126659458 /nfs/dbraw/zinc/65/94/58/1126659458.db2.gz URWBBZQIPQFXBW-ZDUSSCGKSA-N 2 0 328.457 -0.594 20 0 EBADRP C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCNS(C)(=O)=O ZINC001484982805 1126660535 /nfs/dbraw/zinc/66/05/35/1126660535.db2.gz NKTPUJKDMOIEHS-STQMWFEESA-N 2 0 334.486 -0.544 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC1CC(C[NH2+]CCN2CCNC2=O)C1 ZINC001485110844 1126675825 /nfs/dbraw/zinc/67/58/25/1126675825.db2.gz YIUHJCGDNMRGQJ-UHFFFAOYSA-N 2 0 325.457 -0.164 20 0 EBADRP CNC(=O)C[NH2+][C@H](CCN(C)C(=O)[C@H]1CN(C)CCO1)C(C)C ZINC001485430853 1126716466 /nfs/dbraw/zinc/71/64/66/1126716466.db2.gz DVBFVVWSFQNKCR-ZIAGYGMSSA-N 2 0 328.457 -0.474 20 0 EBADRP CN(CC[NH2+]CCCN1C(=O)CNC1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001493574426 1126719024 /nfs/dbraw/zinc/71/90/24/1126719024.db2.gz ILHSDSFPTOQRFM-UHFFFAOYSA-N 2 0 339.440 -0.539 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@H]([C@H](C)[NH2+]CCn2cncn2)C1 ZINC001485648469 1126776691 /nfs/dbraw/zinc/77/66/91/1126776691.db2.gz AJDVNBBEIGRRPS-GJZGRUSLSA-N 2 0 338.456 -0.176 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CC(=O)N(C)C)C1 ZINC001485647260 1126789122 /nfs/dbraw/zinc/78/91/22/1126789122.db2.gz AEMGMUAFYYIVNX-UONOGXRCSA-N 2 0 328.457 -0.378 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001485694378 1126804796 /nfs/dbraw/zinc/80/47/96/1126804796.db2.gz HBTWHXWRAWVPQI-JHJVBQTASA-N 2 0 341.456 -0.343 20 0 EBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1CCOC3)C2 ZINC001649062215 1126867218 /nfs/dbraw/zinc/86/72/18/1126867218.db2.gz KUPMIHMXZGMRLO-PJSWFKRJSA-N 2 0 337.420 -0.649 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC001649041710 1126862461 /nfs/dbraw/zinc/86/24/61/1126862461.db2.gz RMOWPPVXWNWWKP-QMMMGPOBSA-N 2 0 331.214 -0.011 20 0 EBADRP COC[C@@]1(C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)C[NH2+]CCO1 ZINC001649086920 1126869309 /nfs/dbraw/zinc/86/93/09/1126869309.db2.gz OYRLATGZWXVYRJ-XJKSGUPXSA-N 2 0 327.425 -0.652 20 0 EBADRP C[NH+]1CCN(c2cc(C(=O)N3CCC[C@@]([NH3+])(CO)C3)ccn2)CC1 ZINC001649087871 1126869322 /nfs/dbraw/zinc/86/93/22/1126869322.db2.gz FLZPLMLUABITTQ-KRWDZBQOSA-N 2 0 333.436 -0.241 20 0 EBADRP CC(C)(C[NH3+])C1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)CC1 ZINC001649108845 1126874552 /nfs/dbraw/zinc/87/45/52/1126874552.db2.gz WFRLTZLQWDMTJW-BBRMVZONSA-N 2 0 343.493 -0.156 20 0 EBADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H](C[NH2+]CCS(C)(=O)=O)C1CC1 ZINC001485833579 1126888550 /nfs/dbraw/zinc/88/85/50/1126888550.db2.gz JORAAYOJEGKURA-ZIAGYGMSSA-N 2 0 331.482 -0.191 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001485913964 1126914514 /nfs/dbraw/zinc/91/45/14/1126914514.db2.gz IKADTJGBPQIFRX-NSHDSACASA-N 2 0 327.429 -0.780 20 0 EBADRP Cc1nn(C)cc1C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001485998750 1126961614 /nfs/dbraw/zinc/96/16/14/1126961614.db2.gz ZNKRVCAQBIAEDC-JKSUJKDBSA-N 2 0 335.452 -0.363 20 0 EBADRP C[C@@H](C(=O)NC[C@H](CO)[NH2+]CCn1cncn1)[NH+]1CCCCCC1 ZINC001486040998 1126987389 /nfs/dbraw/zinc/98/73/89/1126987389.db2.gz HZYLHPJKDICTKX-LSDHHAIUSA-N 2 0 338.456 -0.391 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001486131090 1127043285 /nfs/dbraw/zinc/04/32/85/1127043285.db2.gz POXNNUJEYNXQKC-QWHCGFSZSA-N 2 0 326.441 -0.578 20 0 EBADRP CS(=O)(=O)NCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001486222164 1127064199 /nfs/dbraw/zinc/06/41/99/1127064199.db2.gz XLJXDQKPADUBIN-KBPBESRZSA-N 2 0 346.497 -0.494 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCS(C)(=O)=O)CC[N@@H+]1C ZINC001486294340 1127103265 /nfs/dbraw/zinc/10/32/65/1127103265.db2.gz GUBKAQKJDXVZMC-IHRRRGAJSA-N 2 0 349.497 -0.830 20 0 EBADRP CN(C[C@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)C1CC[NH+](C)CC1 ZINC001486298787 1127105499 /nfs/dbraw/zinc/10/54/99/1127105499.db2.gz XFXWQTJBBJBUOO-CQSZACIVSA-N 2 0 326.441 -0.984 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001486304077 1127108844 /nfs/dbraw/zinc/10/88/44/1127108844.db2.gz YHEUJXDDTUXYPM-CABCVRRESA-N 2 0 342.484 -0.254 20 0 EBADRP CN(CCOCC[NH2+][C@@H]1CCCNC1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001486494464 1127188303 /nfs/dbraw/zinc/18/83/03/1127188303.db2.gz LATNVBUEZPUTIH-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP CN(CCOCC[NH2+]CC(N)=O)C(=O)C12CCC[NH+](CCC1)C2 ZINC001486494673 1127188368 /nfs/dbraw/zinc/18/83/68/1127188368.db2.gz TZPXZOYJRAAHIG-UHFFFAOYSA-N 2 0 326.441 -0.588 20 0 EBADRP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001487179665 1127422136 /nfs/dbraw/zinc/42/21/36/1127422136.db2.gz OLISSFXORUXKFN-KGLIPLIRSA-N 2 0 340.468 -0.521 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001410127132 1127592055 /nfs/dbraw/zinc/59/20/55/1127592055.db2.gz JFNPUPUKDFMAIT-GJZGRUSLSA-N 2 0 340.468 -0.593 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@H](O)Cn3cccn3)C2)C1 ZINC001410225968 1127648800 /nfs/dbraw/zinc/64/88/00/1127648800.db2.gz VKTDVVDKIKGMIY-VGWMRTNUSA-N 2 0 335.452 -0.320 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001410392147 1127698799 /nfs/dbraw/zinc/69/87/99/1127698799.db2.gz YZHOZUREPHXDDD-JHJVBQTASA-N 2 0 341.456 -0.391 20 0 EBADRP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001410514668 1127732139 /nfs/dbraw/zinc/73/21/39/1127732139.db2.gz VKKPZDWKJMTXJB-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)NC(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001410628486 1127780116 /nfs/dbraw/zinc/78/01/16/1127780116.db2.gz RBZAUGBJCOATSV-KGLIPLIRSA-N 2 0 328.457 -0.550 20 0 EBADRP CN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001410728581 1127846599 /nfs/dbraw/zinc/84/65/99/1127846599.db2.gz NYXYEMQLACXANL-UONOGXRCSA-N 2 0 326.441 -0.984 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001410748027 1127859711 /nfs/dbraw/zinc/85/97/11/1127859711.db2.gz DZOYQBSSXILIQJ-QWHCGFSZSA-N 2 0 328.457 -0.690 20 0 EBADRP C[NH+]1CCC(OCC(=O)NC[C@H](CO)[NH2+]Cc2cncs2)CC1 ZINC001410759300 1127866509 /nfs/dbraw/zinc/86/65/09/1127866509.db2.gz NHQSKLHYFBTREK-GFCCVEGCSA-N 2 0 342.465 -0.179 20 0 EBADRP CC(C)(C)n1nnnc1CN[C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001410776103 1127881055 /nfs/dbraw/zinc/88/10/55/1127881055.db2.gz ATZHPGZZYSYMRE-LBPRGKRZSA-N 2 0 339.444 -0.909 20 0 EBADRP Cc1cncn1CC(=O)N(C)C[C@@H](O)CNCc1ncc(C)cn1 ZINC001411042838 1127984369 /nfs/dbraw/zinc/98/43/69/1127984369.db2.gz BNAATOGXKFILIT-AWEZNQCLSA-N 2 0 332.408 -0.101 20 0 EBADRP CN(C[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)C12CCC[NH+](CCC1)C2 ZINC001411082641 1128007325 /nfs/dbraw/zinc/00/73/25/1128007325.db2.gz PJSAVZAFAFHFEB-UONOGXRCSA-N 2 0 338.452 -0.840 20 0 EBADRP C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)C[NH+]1CCC(C)CC1)C(=O)N(C)C ZINC001411134461 1128030501 /nfs/dbraw/zinc/03/05/01/1128030501.db2.gz ZFTWRHLFPAUFNJ-HUUCEWRRSA-N 2 0 342.484 -0.396 20 0 EBADRP COc1ncccc1C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001411139274 1128033749 /nfs/dbraw/zinc/03/37/49/1128033749.db2.gz NAYIBVBKUPXQSJ-GJZGRUSLSA-N 2 0 336.436 -0.049 20 0 EBADRP C[C@@H]([NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C)C(=O)NC(N)=O ZINC001411228262 1128098950 /nfs/dbraw/zinc/09/89/50/1128098950.db2.gz ZZFXNPIMWSEUQL-VXGBXAGGSA-N 2 0 341.456 -0.214 20 0 EBADRP CN(C(=O)C1CC[NH+](C)CC1)C1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001411249264 1128104168 /nfs/dbraw/zinc/10/41/68/1128104168.db2.gz VJQUQXPHGNHNFY-UHFFFAOYSA-N 2 0 325.413 -0.898 20 0 EBADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093194204 1128303087 /nfs/dbraw/zinc/30/30/87/1128303087.db2.gz XMNQHUBSQHEQKN-FRRDWIJNSA-N 2 0 336.440 -0.756 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187835575 1128355892 /nfs/dbraw/zinc/35/58/92/1128355892.db2.gz YRDXQMNPSKDBQW-CQSZACIVSA-N 2 0 326.441 -0.575 20 0 EBADRP C[NH+]1CCC[C@@H]1C(=O)NCCOCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001487622480 1128387486 /nfs/dbraw/zinc/38/74/86/1128387486.db2.gz WCXSNDYGAZIHGZ-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001487893679 1128444175 /nfs/dbraw/zinc/44/41/75/1128444175.db2.gz RUCFPHOXBHSWIT-CABCVRRESA-N 2 0 342.484 -0.131 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001488019700 1128533057 /nfs/dbraw/zinc/53/30/57/1128533057.db2.gz YPWIWGIJYLVHEZ-CYBMUJFWSA-N 2 0 328.457 -0.596 20 0 EBADRP C[N@H+](CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CC[NH+](C)C1)C1CCC1 ZINC001488000236 1128536612 /nfs/dbraw/zinc/53/66/12/1128536612.db2.gz ODMZLFOVYPOTMY-QWHCGFSZSA-N 2 0 326.441 -0.984 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H](CO)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001488078615 1128613040 /nfs/dbraw/zinc/61/30/40/1128613040.db2.gz UPMILKIOYKUDOL-HNNXBMFYSA-N 2 0 342.484 -0.348 20 0 EBADRP CN(C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)C12CC[NH+](CC1)C2 ZINC001488382376 1128759287 /nfs/dbraw/zinc/75/92/87/1128759287.db2.gz MNDNPYUTEVFZMN-KBPBESRZSA-N 2 0 338.452 -0.888 20 0 EBADRP C[N@H+](CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1)C1CCC1 ZINC001488739135 1128834138 /nfs/dbraw/zinc/83/41/38/1128834138.db2.gz BDZNIEJMKZAOEC-PHIMTYICSA-N 2 0 325.413 -0.850 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001489579638 1129016110 /nfs/dbraw/zinc/01/61/10/1129016110.db2.gz PYFJUEPFUOGCOC-ILXRZTDVSA-N 2 0 340.468 -0.501 20 0 EBADRP CN(CC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1)S(C)(=O)=O ZINC001490279991 1129156552 /nfs/dbraw/zinc/15/65/52/1129156552.db2.gz SHTZZMWTXZYCSG-CYBMUJFWSA-N 2 0 334.486 -0.732 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[N@H+](C)[C@H]1CCCNC1=O ZINC001490279327 1129156589 /nfs/dbraw/zinc/15/65/89/1129156589.db2.gz BXGICHVWWMXNPZ-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP CC[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)CC(=O)NC(N)=O ZINC001490355760 1129172571 /nfs/dbraw/zinc/17/25/71/1129172571.db2.gz QAADEMBYTQMNON-GFCCVEGCSA-N 2 0 327.429 -0.649 20 0 EBADRP C[C@@H](O)C[NH+]1CCN(CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001490515211 1129218142 /nfs/dbraw/zinc/21/81/42/1129218142.db2.gz NSVQAXUGWUBVQO-JKSUJKDBSA-N 2 0 342.484 -0.931 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCN1CC[NH+](C[C@@H](C)O)CC1 ZINC001490517430 1129220148 /nfs/dbraw/zinc/22/01/48/1129220148.db2.gz XOAGLVCSWBNQSK-HZPDHXFCSA-N 2 0 326.485 -0.025 20 0 EBADRP C[NH+](C)CCC(=O)N1CCO[C@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001490527286 1129224784 /nfs/dbraw/zinc/22/47/84/1129224784.db2.gz OMDIOUVURUYPLP-RHSMWYFYSA-N 2 0 340.468 -0.377 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1O ZINC001414053245 1131360040 /nfs/dbraw/zinc/36/00/40/1131360040.db2.gz FKKMXRBAIHQOPO-KGLIPLIRSA-N 2 0 340.468 -0.642 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CCNS(C)(=O)=O)C2CC2)CC1 ZINC001490698995 1129249062 /nfs/dbraw/zinc/24/90/62/1129249062.db2.gz BMEURMMQWMLFTC-CQSZACIVSA-N 2 0 346.497 -0.638 20 0 EBADRP CN(CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1)S(C)(=O)=O ZINC001493186770 1129527474 /nfs/dbraw/zinc/52/74/74/1129527474.db2.gz ZPVCLPICJMMPGF-ZIAGYGMSSA-N 2 0 346.497 -0.590 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]CCCN3C(=O)CNC3=O)C2)C1 ZINC001490857568 1129687143 /nfs/dbraw/zinc/68/71/43/1129687143.db2.gz PEEKBANHFSNGRA-OLZOCXBDSA-N 2 0 337.424 -0.930 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)NC(=O)CCn1ccnc1 ZINC001412966008 1129822120 /nfs/dbraw/zinc/82/21/20/1129822120.db2.gz XDTHGAKXMAVVLP-KGLIPLIRSA-N 2 0 337.424 -0.649 20 0 EBADRP CN(C[C@H](O)CNC(=O)C1(C[NH+](C)C)CC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001413264076 1129973087 /nfs/dbraw/zinc/97/30/87/1129973087.db2.gz JQCAEKROVGOTQM-UONOGXRCSA-N 2 0 340.468 -0.785 20 0 EBADRP CN(C[C@H](O)CNC(=O)CCC[NH+](C)C)C(=O)C12CC[NH+](CC1)C2 ZINC001413300223 1129998931 /nfs/dbraw/zinc/99/89/31/1129998931.db2.gz HVMFCHBHCRBGEJ-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001490939977 1130269107 /nfs/dbraw/zinc/26/91/07/1130269107.db2.gz DAUOYSROEYPXRC-JOCQHMNTSA-N 2 0 339.440 -0.447 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001491071247 1130312380 /nfs/dbraw/zinc/31/23/80/1130312380.db2.gz XOFNIXPNDAAYDO-TXEJJXNPSA-N 2 0 325.413 -0.883 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001491185022 1130352155 /nfs/dbraw/zinc/35/21/55/1130352155.db2.gz OMXPKRHFKSKGPB-ZDUSSCGKSA-N 2 0 339.440 -0.634 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001491183900 1130352349 /nfs/dbraw/zinc/35/23/49/1130352349.db2.gz HPZWZDCBKDOEFU-KBPBESRZSA-N 2 0 326.441 -0.732 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001491319530 1130398128 /nfs/dbraw/zinc/39/81/28/1130398128.db2.gz RGTXLIPPLOZJSL-LSDHHAIUSA-N 2 0 340.468 -0.471 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001491319614 1130398352 /nfs/dbraw/zinc/39/83/52/1130398352.db2.gz UNHIRRHPKSRBCD-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC(=O)NC1CCOCC1 ZINC001491479273 1130462936 /nfs/dbraw/zinc/46/29/36/1130462936.db2.gz BFKWYQZIVDGASZ-ZDUSSCGKSA-N 2 0 340.468 -0.140 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001491548078 1130498579 /nfs/dbraw/zinc/49/85/79/1130498579.db2.gz NBIYUAYDWMEBRH-RYUDHWBXSA-N 2 0 341.456 -0.201 20 0 EBADRP C[NH+](C)CCOCC(=O)NC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001492074322 1130579547 /nfs/dbraw/zinc/57/95/47/1130579547.db2.gz BIEDXQYSQPUIKH-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001480459975 1130816497 /nfs/dbraw/zinc/81/64/97/1130816497.db2.gz QIJAMOPSOYYENE-CHWSQXEVSA-N 2 0 334.486 -0.497 20 0 EBADRP O=C(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)N1CCNCC[NH2+]CC1 ZINC001353457655 1130820959 /nfs/dbraw/zinc/82/09/59/1130820959.db2.gz HZFWZXBLQXBMBZ-AWEZNQCLSA-N 2 0 325.457 -0.651 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1O ZINC001413970250 1130875249 /nfs/dbraw/zinc/87/52/49/1130875249.db2.gz KEJHGQYWTKVCMK-ZIAGYGMSSA-N 2 0 340.468 -0.501 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001356609568 1130883372 /nfs/dbraw/zinc/88/33/72/1130883372.db2.gz QSEDBNILONIKOI-IHRRRGAJSA-N 2 0 325.457 -0.034 20 0 EBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2[NH2+]CC23CCOCC3)C1 ZINC001357150194 1131054488 /nfs/dbraw/zinc/05/44/88/1131054488.db2.gz FJKVMRZZSARRCJ-UONOGXRCSA-N 2 0 338.452 -0.541 20 0 EBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCCCCCN1CC[NH2+]CC1 ZINC001358213268 1131172233 /nfs/dbraw/zinc/17/22/33/1131172233.db2.gz GQNGVRVTVIXPQA-HNNXBMFYSA-N 2 0 339.484 -0.564 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001413981205 1131192526 /nfs/dbraw/zinc/19/25/26/1131192526.db2.gz QNZKLNJWSNYYJT-RBSFLKMASA-N 2 0 340.468 -0.642 20 0 EBADRP CC1CC[NH+](CC(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001365824535 1132820289 /nfs/dbraw/zinc/82/02/89/1132820289.db2.gz SGDRRNXLJDOUFV-BETUJISGSA-N 2 0 339.440 -0.602 20 0 EBADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001365864364 1132841651 /nfs/dbraw/zinc/84/16/51/1132841651.db2.gz TUNCNFKJQILHJG-TZMCWYRMSA-N 2 0 326.441 -0.591 20 0 EBADRP COC[C@@H](O)C[N@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001365876053 1132853094 /nfs/dbraw/zinc/85/30/94/1132853094.db2.gz OKVAZTGLFOXTMY-HOTGVXAUSA-N 2 0 343.468 -0.625 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001366092641 1132999966 /nfs/dbraw/zinc/99/99/66/1132999966.db2.gz NTSUYLXKBKIJDE-XHSDSOJGSA-N 2 0 335.452 -0.081 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001366101977 1133005208 /nfs/dbraw/zinc/00/52/08/1133005208.db2.gz JYHQTSNYHMDEBQ-ZDUSSCGKSA-N 2 0 334.486 -0.590 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001366107758 1133009569 /nfs/dbraw/zinc/00/95/69/1133009569.db2.gz DURLKOSWODKGEG-KBUPBQIOSA-N 2 0 338.452 -0.387 20 0 EBADRP O=C(N[C@H]1C[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001366115869 1133013644 /nfs/dbraw/zinc/01/36/44/1133013644.db2.gz LPRBJKRLVIDNOF-LUKYLMHMSA-N 2 0 347.463 -0.177 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001366131992 1133020356 /nfs/dbraw/zinc/02/03/56/1133020356.db2.gz WGBZKWXONMKYJD-SRVKXCTJSA-N 2 0 325.413 -0.837 20 0 EBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001366152473 1133028946 /nfs/dbraw/zinc/02/89/46/1133028946.db2.gz XSOGRNWLWGESQG-BETUJISGSA-N 2 0 336.440 -0.569 20 0 EBADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1)[NH+](C)C ZINC001366163751 1133033960 /nfs/dbraw/zinc/03/39/60/1133033960.db2.gz SWKXWLJBARPFKB-FRRDWIJNSA-N 2 0 334.486 -0.545 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001366210286 1133057898 /nfs/dbraw/zinc/05/78/98/1133057898.db2.gz BVROLIWGZYCPGZ-JHJVBQTASA-N 2 0 339.440 -0.508 20 0 EBADRP CNC(=O)C[NH2+]C1CCC(NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001366243986 1133071818 /nfs/dbraw/zinc/07/18/18/1133071818.db2.gz QGERLUBLVYUWLD-WLYUNCDWSA-N 2 0 340.468 -0.282 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001366333464 1133102618 /nfs/dbraw/zinc/10/26/18/1133102618.db2.gz UAXRDAFKDAQHMF-GFCCVEGCSA-N 2 0 341.456 -0.342 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CCN1CCCS1(=O)=O)[NH+](C)C ZINC001366346484 1133106971 /nfs/dbraw/zinc/10/69/71/1133106971.db2.gz MUSJLXZACWGVHC-UONOGXRCSA-N 2 0 348.513 -0.298 20 0 EBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCN1CCCS1(=O)=O ZINC001366356917 1133109889 /nfs/dbraw/zinc/10/98/89/1133109889.db2.gz JMVRXXOOFIJELJ-ZDUSSCGKSA-N 2 0 332.470 -0.788 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001366367231 1133113588 /nfs/dbraw/zinc/11/35/88/1133113588.db2.gz WFRBMFHDNLKHNP-CHWSQXEVSA-N 2 0 341.456 -0.199 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)[C@@H](C)C(=O)NC(N)=O)C1 ZINC001366446097 1133146441 /nfs/dbraw/zinc/14/64/41/1133146441.db2.gz GGWUUSWDYCUKCK-STQMWFEESA-N 2 0 341.456 -0.166 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001366460008 1133148940 /nfs/dbraw/zinc/14/89/40/1133148940.db2.gz KGMKLWMMIQPAHF-NWDGAFQWSA-N 2 0 327.429 -0.460 20 0 EBADRP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001366848698 1133318160 /nfs/dbraw/zinc/31/81/60/1133318160.db2.gz ATYDSQOZVOISIF-CHWSQXEVSA-N 2 0 339.440 -0.778 20 0 EBADRP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)NC(=O)NC ZINC001367096205 1133473812 /nfs/dbraw/zinc/47/38/12/1133473812.db2.gz ALXOEEAJUXWMMT-NEPJUHHUSA-N 2 0 327.429 -0.589 20 0 EBADRP C[C@H]([NH2+]CC[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001367192834 1133497925 /nfs/dbraw/zinc/49/79/25/1133497925.db2.gz PWWUNGVGTYSLCG-QWHCGFSZSA-N 2 0 341.456 -0.260 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001367200159 1133499560 /nfs/dbraw/zinc/49/95/60/1133499560.db2.gz SOJPBUCJUQZTJX-AVGNSLFASA-N 2 0 341.456 -0.071 20 0 EBADRP C[C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)C[NH2+]Cc1cnn(C)n1 ZINC001367287058 1133526581 /nfs/dbraw/zinc/52/65/81/1133526581.db2.gz PIXXOAGKNLWUQI-KGLIPLIRSA-N 2 0 338.456 -0.375 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001480806896 1133588528 /nfs/dbraw/zinc/58/85/28/1133588528.db2.gz SIZVRUPQOUIMIP-WBMJQRKESA-N 2 0 339.440 -0.588 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)N(C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001367547838 1133623920 /nfs/dbraw/zinc/62/39/20/1133623920.db2.gz OZGDOFYAJQXOEV-STQMWFEESA-N 2 0 343.472 -0.193 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC(=O)NC(N)=O)C1 ZINC001367553108 1133626322 /nfs/dbraw/zinc/62/63/22/1133626322.db2.gz GJQFYOIBUFWMDC-STQMWFEESA-N 2 0 339.440 -0.554 20 0 EBADRP Cn1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1=O ZINC001367581960 1133650514 /nfs/dbraw/zinc/65/05/14/1133650514.db2.gz NBWNNKIQXBCGNO-CVEARBPZSA-N 2 0 348.447 -0.706 20 0 EBADRP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)C23CCC[NH+]2CCC3)nn1C ZINC001367609095 1133688434 /nfs/dbraw/zinc/68/84/34/1133688434.db2.gz QKHCWIZEKBHWLC-OAHLLOKOSA-N 2 0 335.452 -0.076 20 0 EBADRP COc1ccc(C[NH2+]C[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)cn1 ZINC001367615483 1133696228 /nfs/dbraw/zinc/69/62/28/1133696228.db2.gz BZGBJDXAYSPLRD-AWEZNQCLSA-N 2 0 334.420 -0.247 20 0 EBADRP CC1CCN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)C[NH+]2CCCC2)CC1 ZINC001367629667 1133719283 /nfs/dbraw/zinc/71/92/83/1133719283.db2.gz XZBAHVJUTRVXEB-OAHLLOKOSA-N 2 0 340.468 -0.593 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC1CCOCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001367693507 1133749936 /nfs/dbraw/zinc/74/99/36/1133749936.db2.gz ZSMZNPUWQQWFQG-CYBMUJFWSA-N 2 0 340.468 -0.282 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001367712594 1133756082 /nfs/dbraw/zinc/75/60/82/1133756082.db2.gz MZUVYHKIEWMTLE-GFCCVEGCSA-N 2 0 327.429 -0.588 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001368105284 1133940563 /nfs/dbraw/zinc/94/05/63/1133940563.db2.gz UNQKVMUANBHZGE-QWHCGFSZSA-N 2 0 339.440 -0.365 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001368109746 1133942002 /nfs/dbraw/zinc/94/20/02/1133942002.db2.gz SQNGIOASCPPERQ-CHWSQXEVSA-N 2 0 339.440 -0.493 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001368109592 1133942346 /nfs/dbraw/zinc/94/23/46/1133942346.db2.gz NSJOFZCLWRDEFC-QWHCGFSZSA-N 2 0 341.456 -0.247 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001368110406 1133943320 /nfs/dbraw/zinc/94/33/20/1133943320.db2.gz QMBWOYZYANCPFS-GFCCVEGCSA-N 2 0 339.440 -0.636 20 0 EBADRP O=C(CCCn1ccnc1)N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001368359748 1134164229 /nfs/dbraw/zinc/16/42/29/1134164229.db2.gz TWOLBDLATBDYSK-QLFBSQMISA-N 2 0 331.420 -0.058 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001368381213 1134186181 /nfs/dbraw/zinc/18/61/81/1134186181.db2.gz QAZCPVVAJALBLP-LSDHHAIUSA-N 2 0 337.468 -0.114 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCC1 ZINC001368475229 1134245737 /nfs/dbraw/zinc/24/57/37/1134245737.db2.gz TZDCZCSHEXEVTJ-LBPRGKRZSA-N 2 0 339.440 -0.316 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001368506864 1134259209 /nfs/dbraw/zinc/25/92/09/1134259209.db2.gz QKCGFVGVLCXATJ-SDDRHHMPSA-N 2 0 327.429 -0.604 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H](C[NH2+]CC(=O)N2CCCC2)C1 ZINC001368514591 1134266598 /nfs/dbraw/zinc/26/65/98/1134266598.db2.gz NUDAZQCXLQDRQB-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC(=O)NC(N)=O)CC1 ZINC001368523815 1134273831 /nfs/dbraw/zinc/27/38/31/1134273831.db2.gz WNSQCXOBBYBSKC-NEPJUHHUSA-N 2 0 325.413 -0.754 20 0 EBADRP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC)CC1)[NH+](C)C ZINC001368530898 1134277224 /nfs/dbraw/zinc/27/72/24/1134277224.db2.gz HKGNSYNJEPOJQB-OLZOCXBDSA-N 2 0 341.456 -0.247 20 0 EBADRP CCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CCO1 ZINC001368532274 1134278287 /nfs/dbraw/zinc/27/82/87/1134278287.db2.gz KJMJXDXLCZUOIC-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP CC[C@@H](C(=O)N(C)CCC[N@H+](C)[C@@H](C)C(=O)NC(=O)NC)[NH+](C)C ZINC001368557803 1134290289 /nfs/dbraw/zinc/29/02/89/1134290289.db2.gz NTSMSMXZCYRTGO-STQMWFEESA-N 2 0 343.472 -0.049 20 0 EBADRP COC[C@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001368609689 1134321526 /nfs/dbraw/zinc/32/15/26/1134321526.db2.gz APUODOXQPVOGKZ-ZBFHGGJFSA-N 2 0 343.468 -0.579 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CC(=O)NC)C1 ZINC001368623519 1134334905 /nfs/dbraw/zinc/33/49/05/1134334905.db2.gz BSEGWVWXUKDBAH-WMLDXEAASA-N 2 0 340.468 -0.450 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@](CO)([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001368627997 1134340102 /nfs/dbraw/zinc/34/01/02/1134340102.db2.gz WCFBOMABKPFPDF-KRWDZBQOSA-N 2 0 342.484 -0.204 20 0 EBADRP C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1)C(=O)NC(N)=O ZINC001368644612 1134351685 /nfs/dbraw/zinc/35/16/85/1134351685.db2.gz ROUXFJFNTJLJHH-RWMBFGLXSA-N 2 0 339.440 -0.460 20 0 EBADRP CC[C@H](C(=O)N1CCC(O)(C[NH2+]CC(=O)N2CCC2)CC1)[NH+](C)C ZINC001368680406 1134378600 /nfs/dbraw/zinc/37/86/00/1134378600.db2.gz FVGXKZLYKHYVGF-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP CCN(C)C(=O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001368685018 1134384099 /nfs/dbraw/zinc/38/40/99/1134384099.db2.gz LUVOTAOIQBKILR-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(O)(C[NH2+]CC(N)=O)CC1 ZINC001368688480 1134388804 /nfs/dbraw/zinc/38/88/04/1134388804.db2.gz PHJDDGBMGPGTSY-CHWSQXEVSA-N 2 0 326.441 -0.712 20 0 EBADRP C[C@H]([NH2+]CC1(O)CCN(C(=O)CC[NH+]2CCCCC2)CC1)C(N)=O ZINC001368693117 1134394257 /nfs/dbraw/zinc/39/42/57/1134394257.db2.gz ZTUOFQAUHJWIPP-AWEZNQCLSA-N 2 0 340.468 -0.321 20 0 EBADRP CC[C@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)N1CCOCC1)[NH+](C)C ZINC001368723988 1134408142 /nfs/dbraw/zinc/40/81/42/1134408142.db2.gz SIWVUDCKCSJOSQ-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001368740645 1134415077 /nfs/dbraw/zinc/41/50/77/1134415077.db2.gz FLQYIQBQFXEOPV-STQMWFEESA-N 2 0 341.456 -0.342 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001368746360 1134416501 /nfs/dbraw/zinc/41/65/01/1134416501.db2.gz BCMLQETZRQXSEK-STQMWFEESA-N 2 0 341.456 -0.199 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001368745151 1134416531 /nfs/dbraw/zinc/41/65/31/1134416531.db2.gz UFEPRJORCISNIB-QWHCGFSZSA-N 2 0 339.440 -0.364 20 0 EBADRP C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)CCC[NH+](C)C)C(=O)NC(N)=O ZINC001368781035 1134438102 /nfs/dbraw/zinc/43/81/02/1134438102.db2.gz WZDKMGJUOKULMX-STQMWFEESA-N 2 0 341.456 -0.118 20 0 EBADRP CN1CC[C@H]([N@H+]2C[C@@H]3[C@@H](CNC(=O)C[NH+](C)C4CCC4)[C@@H]3C2)C1=O ZINC001369131288 1134580692 /nfs/dbraw/zinc/58/06/92/1134580692.db2.gz KACCDTQZMIWSKU-JONQDZQNSA-N 2 0 334.464 -0.005 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCN3CCNC3=O)C[C@H]21 ZINC001369131834 1134582187 /nfs/dbraw/zinc/58/21/87/1134582187.db2.gz TUCIECAGAWJNTL-QKDCVEJESA-N 2 0 337.468 -0.353 20 0 EBADRP C[C@@H]([NH2+]CC(=O)N1CCC1)[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001369146824 1134591881 /nfs/dbraw/zinc/59/18/81/1134591881.db2.gz GXQHOOGHLIPFEC-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001369169740 1134604813 /nfs/dbraw/zinc/60/48/13/1134604813.db2.gz PZMQEVRIVQFMIW-HAQNSBGRSA-N 2 0 339.440 -0.589 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001369175243 1134606762 /nfs/dbraw/zinc/60/67/62/1134606762.db2.gz KQXUCKSERACWMJ-JOCQHMNTSA-N 2 0 336.440 -0.256 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001369351965 1134701316 /nfs/dbraw/zinc/70/13/16/1134701316.db2.gz KDNHPSVXTVEAGU-MELADBBJSA-N 2 0 342.484 -0.302 20 0 EBADRP Cn1cc(C[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)CC(C)(C)C)cn1 ZINC001369358040 1134708155 /nfs/dbraw/zinc/70/81/55/1134708155.db2.gz BDUSIAMNPNVQFM-CQSZACIVSA-N 2 0 325.457 -0.035 20 0 EBADRP CCn1cc(CC[NH2+][C@@H](CO)CNC(=O)[C@@]23CC[N@H+](C2)CCC3)cn1 ZINC001369371353 1134727547 /nfs/dbraw/zinc/72/75/47/1134727547.db2.gz CYTFXFNTLMGJQH-AEFFLSMTSA-N 2 0 349.479 -0.002 20 0 EBADRP C[C@@H]1[C@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC001369390586 1134751076 /nfs/dbraw/zinc/75/10/76/1134751076.db2.gz LPHYQVYNXNXUHS-UKRRQHHQSA-N 2 0 340.468 -0.236 20 0 EBADRP C[C@H]1C[C@@H]([NH2+]CCS(C)(=O)=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001369409380 1134766629 /nfs/dbraw/zinc/76/66/29/1134766629.db2.gz WSBHTHZFKGSPOK-QWHCGFSZSA-N 2 0 329.466 -0.294 20 0 EBADRP C[N@H+](CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1)C1CCC1 ZINC001369420694 1134772930 /nfs/dbraw/zinc/77/29/30/1134772930.db2.gz LCMWXHUCNPNOPH-NWDGAFQWSA-N 2 0 339.440 -0.460 20 0 EBADRP C[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001369467349 1134815205 /nfs/dbraw/zinc/81/52/05/1134815205.db2.gz CJKQKBHRSVMJAO-ZIAGYGMSSA-N 2 0 331.457 -0.866 20 0 EBADRP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001369477696 1134840621 /nfs/dbraw/zinc/84/06/21/1134840621.db2.gz VWLUELZHMPGENV-LRDDRELGSA-N 2 0 346.447 -0.646 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C)C(=O)C1([NH+](C)C)CCC1 ZINC001369479320 1134841326 /nfs/dbraw/zinc/84/13/26/1134841326.db2.gz ZQELNGOVVWWPKZ-ZDUSSCGKSA-N 2 0 342.484 -0.206 20 0 EBADRP CN(C[C@H](O)C[NH2+]Cc1cc2n(n1)CCC2)C(=O)C[NH+]1CCCC1 ZINC001369483420 1134852434 /nfs/dbraw/zinc/85/24/34/1134852434.db2.gz MFINAVQIPZVRIE-MRXNPFEDSA-N 2 0 335.452 -0.166 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001369484927 1134854194 /nfs/dbraw/zinc/85/41/94/1134854194.db2.gz QPIHNBKDZBNKGE-ZIAGYGMSSA-N 2 0 342.484 -0.348 20 0 EBADRP C[C@H](C(=O)NC(N)=O)N1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001369844737 1135043945 /nfs/dbraw/zinc/04/39/45/1135043945.db2.gz QVTQQGQFSIAKOO-VXGBXAGGSA-N 2 0 327.429 -0.508 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001370402102 1135336558 /nfs/dbraw/zinc/33/65/58/1135336558.db2.gz BRUAUECDMZCTGH-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP O=C(C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)Nc1cnccn1 ZINC001370404252 1135337168 /nfs/dbraw/zinc/33/71/68/1135337168.db2.gz LSTZJDLWPHSFQL-ZDUSSCGKSA-N 2 0 344.419 -0.299 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001370408662 1135340179 /nfs/dbraw/zinc/34/01/79/1135340179.db2.gz MEOHSEJMSGUPRW-KBPBESRZSA-N 2 0 347.481 -0.810 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001370452901 1135356382 /nfs/dbraw/zinc/35/63/82/1135356382.db2.gz AQJBPXFGZYBXAP-FDYHWXHSSA-N 2 0 339.440 -0.591 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)C(=O)NC(N)=O ZINC001370673599 1135479356 /nfs/dbraw/zinc/47/93/56/1135479356.db2.gz OOLSFWVICZLDDA-WYUUTHIRSA-N 2 0 325.413 -0.709 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001370710842 1135532984 /nfs/dbraw/zinc/53/29/84/1135532984.db2.gz ZHXGXRRRHYDERD-GJZGRUSLSA-N 2 0 340.468 -0.593 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001370750169 1135589439 /nfs/dbraw/zinc/58/94/39/1135589439.db2.gz WZKBTCJKEVADDJ-KBPBESRZSA-N 2 0 328.457 -0.594 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001370790054 1135634282 /nfs/dbraw/zinc/63/42/82/1135634282.db2.gz OFRRCHADZXCFKS-VXGBXAGGSA-N 2 0 337.424 -0.625 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001370994907 1135748556 /nfs/dbraw/zinc/74/85/56/1135748556.db2.gz JULXLEZQLOBCFX-HUUCEWRRSA-N 2 0 342.484 -0.254 20 0 EBADRP CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)CCC[NH+](C)C ZINC001371017704 1135781467 /nfs/dbraw/zinc/78/14/67/1135781467.db2.gz GUZKDBGAJOOCKW-KBPBESRZSA-N 2 0 328.457 -0.785 20 0 EBADRP CN(C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(=O)CCC[NH+](C)C ZINC001371059351 1135828983 /nfs/dbraw/zinc/82/89/83/1135828983.db2.gz WMEICDRERMALOE-LSDHHAIUSA-N 2 0 342.484 -0.300 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001371178445 1135857161 /nfs/dbraw/zinc/85/71/61/1135857161.db2.gz LLDXFOPXNQNVJD-YPMHNXCESA-N 2 0 339.440 -0.732 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001371473250 1135930758 /nfs/dbraw/zinc/93/07/58/1135930758.db2.gz XTBZSYSIXIESGN-CHWSQXEVSA-N 2 0 328.457 -0.644 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001371521965 1135947709 /nfs/dbraw/zinc/94/77/09/1135947709.db2.gz TWJJFCMQJOYRGA-STQMWFEESA-N 2 0 339.440 -0.508 20 0 EBADRP CC[C@H](C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1O)[NH+](C)C ZINC001371529302 1135954179 /nfs/dbraw/zinc/95/41/79/1135954179.db2.gz IPLRIBNKWNRSJS-KFWWJZLASA-N 2 0 340.468 -0.501 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001371627737 1135988732 /nfs/dbraw/zinc/98/87/32/1135988732.db2.gz XNKDQFZYPDKGSQ-STQMWFEESA-N 2 0 339.440 -0.778 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC001372642071 1136256868 /nfs/dbraw/zinc/25/68/68/1136256868.db2.gz AKXBJUSONRDJOV-CQSZACIVSA-N 2 0 346.497 -0.588 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001372936684 1136330944 /nfs/dbraw/zinc/33/09/44/1136330944.db2.gz DXDFJPDYVCZKSA-YNEHKIRRSA-N 2 0 341.456 -0.391 20 0 EBADRP C[C@@H]([NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001372943150 1136333578 /nfs/dbraw/zinc/33/35/78/1136333578.db2.gz RLCYZEPRVBINRX-GFCCVEGCSA-N 2 0 341.456 -0.118 20 0 EBADRP CN(CC[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001372987578 1136347086 /nfs/dbraw/zinc/34/70/86/1136347086.db2.gz FJBWCXWILWBTTD-KGLIPLIRSA-N 2 0 348.451 -0.475 20 0 EBADRP CC[C@@H](C(=O)NCC1C[NH+](C[C@H](O)CN2CCCC2=O)C1)[NH+](C)C ZINC001373539680 1136489517 /nfs/dbraw/zinc/48/95/17/1136489517.db2.gz RXKOSLSIAWRKHK-GJZGRUSLSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[C@H](C(=O)N[C@@H]1CC[N@H+](C[C@H](O)CN2CCCC2=O)C1)[NH+](C)C ZINC001373646147 1136524623 /nfs/dbraw/zinc/52/46/23/1136524623.db2.gz NMMIUGZSEJPONG-QLFBSQMISA-N 2 0 340.468 -0.500 20 0 EBADRP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CCN1CCNC1=O ZINC001373756931 1136553752 /nfs/dbraw/zinc/55/37/52/1136553752.db2.gz AVLORKITPGGMRO-CYBMUJFWSA-N 2 0 325.457 -0.020 20 0 EBADRP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)N1CCOCC1 ZINC001373788153 1136560611 /nfs/dbraw/zinc/56/06/11/1136560611.db2.gz IFIHSONAWLZQMS-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)C[NH2+][C@H]1CCNC1=O ZINC001374084992 1136619922 /nfs/dbraw/zinc/61/99/22/1136619922.db2.gz NCVOOOJRBBMTMB-JSGCOSHPSA-N 2 0 336.440 -0.711 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374106170 1136623623 /nfs/dbraw/zinc/62/36/23/1136623623.db2.gz GUCGVJXGRFIFJP-VXGBXAGGSA-N 2 0 327.429 -0.874 20 0 EBADRP C[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)C[NH2+]Cc1cn(C)nn1 ZINC001374110569 1136623900 /nfs/dbraw/zinc/62/39/00/1136623900.db2.gz SOMUHMMACNVESH-KBPBESRZSA-N 2 0 338.456 -0.375 20 0 EBADRP C[C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)C[NH2+]Cc1cn(C)nn1 ZINC001374110570 1136623928 /nfs/dbraw/zinc/62/39/28/1136623928.db2.gz SOMUHMMACNVESH-KGLIPLIRSA-N 2 0 338.456 -0.375 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001374231474 1136654001 /nfs/dbraw/zinc/65/40/01/1136654001.db2.gz FJBCNGBSZFBJTO-NWDGAFQWSA-N 2 0 341.456 -0.249 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001374385303 1136681166 /nfs/dbraw/zinc/68/11/66/1136681166.db2.gz OOELZXZZSKZURJ-RYUDHWBXSA-N 2 0 327.429 -0.652 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCCC2)CC[N@@H+]1C ZINC001374603623 1136740332 /nfs/dbraw/zinc/74/03/32/1136740332.db2.gz IUGVZWKOILCYCE-HZSPNIEDSA-N 2 0 326.441 -0.984 20 0 EBADRP CCN(CC)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001374616164 1136749781 /nfs/dbraw/zinc/74/97/81/1136749781.db2.gz DKKCRGACGGTEPG-ZIAGYGMSSA-N 2 0 328.457 -0.594 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374667145 1136787596 /nfs/dbraw/zinc/78/75/96/1136787596.db2.gz BAUFOPGNCJJZQT-KGLIPLIRSA-N 2 0 328.457 -0.738 20 0 EBADRP O=C(NC[C@@H](O)C[NH2+]C[C@H](O)Cc1ccccc1)C12CC[NH+](CC1)C2 ZINC001374667078 1136787772 /nfs/dbraw/zinc/78/77/72/1136787772.db2.gz ALZVMFZULFTTLI-SJORKVTESA-N 2 0 347.459 -0.248 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001374681718 1136798367 /nfs/dbraw/zinc/79/83/67/1136798367.db2.gz DVLYLJSXRNWVIO-HUUCEWRRSA-N 2 0 340.468 -0.453 20 0 EBADRP CN(C)c1cc(C[NH2+]C[C@@H](O)CNC(=O)C[NH+]2CCCC2)ccn1 ZINC001374686615 1136801846 /nfs/dbraw/zinc/80/18/46/1136801846.db2.gz WFSWLIZBWDPZFN-OAHLLOKOSA-N 2 0 335.452 -0.190 20 0 EBADRP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cc(=O)n(C)c(=O)n1C)[NH+](C)C ZINC001374835349 1136846237 /nfs/dbraw/zinc/84/62/37/1136846237.db2.gz SEWILKAFNOTWRO-DGCLKSJQSA-N 2 0 339.440 -0.982 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)n(C)n1 ZINC001374848859 1136852460 /nfs/dbraw/zinc/85/24/60/1136852460.db2.gz ZFGHEQUTYWLSNT-OLZOCXBDSA-N 2 0 336.440 -0.287 20 0 EBADRP C[C@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)CCC[NH+]1CCCC1 ZINC001374854731 1136854675 /nfs/dbraw/zinc/85/46/75/1136854675.db2.gz TYMVPXNUNCDVRK-NEPJUHHUSA-N 2 0 327.429 -0.460 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001374894805 1136867269 /nfs/dbraw/zinc/86/72/69/1136867269.db2.gz OVDQHWZKSQQTHX-ZDUSSCGKSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)NC[C@@H]1CCOC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001374922851 1136875402 /nfs/dbraw/zinc/87/54/02/1136875402.db2.gz WKMFSIVEGWKHLM-MELADBBJSA-N 2 0 326.441 -0.672 20 0 EBADRP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001374932005 1136878424 /nfs/dbraw/zinc/87/84/24/1136878424.db2.gz SVYONIIKDXCCCY-SMDDNHRTSA-N 2 0 341.456 -0.345 20 0 EBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000643543684 375890296 /nfs/dbraw/zinc/89/02/96/375890296.db2.gz FBFOGZPUDDZXKG-UONOGXRCSA-N 2 0 328.457 -0.249 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCSC1 ZINC000642768809 376088645 /nfs/dbraw/zinc/08/86/45/376088645.db2.gz GFXYFKNEGYCGTK-DVOMOZLQSA-N 2 0 340.493 -0.107 20 0 EBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)CCO1 ZINC000642733344 376058492 /nfs/dbraw/zinc/05/84/92/376058492.db2.gz FUWGBTPNKZWVIS-MGPQQGTHSA-N 2 0 326.441 -0.448 20 0 EBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CS1 ZINC000564820267 376149399 /nfs/dbraw/zinc/14/93/99/376149399.db2.gz ZMEUUGUJRMXGRC-QWHCGFSZSA-N 2 0 330.498 -0.052 20 0 EBADRP CN1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000642789080 376153626 /nfs/dbraw/zinc/15/36/26/376153626.db2.gz PITWGYLWCJCAJG-DZGCQCFKSA-N 2 0 332.404 -0.525 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000584229941 376219859 /nfs/dbraw/zinc/21/98/59/376219859.db2.gz ZONCVELRCQLTIM-OAHLLOKOSA-N 2 0 349.483 -0.131 20 0 EBADRP Cc1noc(C)c1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000559296531 376407396 /nfs/dbraw/zinc/40/73/96/376407396.db2.gz RCSHFDCQAKZIEB-UHFFFAOYSA-N 2 0 339.440 -0.141 20 0 EBADRP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000569367021 376421087 /nfs/dbraw/zinc/42/10/87/376421087.db2.gz WLRMPRRUMWHJTF-AWEZNQCLSA-N 2 0 348.451 -0.701 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000627354911 376359806 /nfs/dbraw/zinc/35/98/06/376359806.db2.gz RHLNMTIFNWEQCQ-GOOCMWNKSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000642854644 376426299 /nfs/dbraw/zinc/42/62/99/376426299.db2.gz OBANYWKZWZPFTI-NUEKZKHPSA-N 2 0 348.447 -0.020 20 0 EBADRP CN1CCN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)[C@H](C[NH3+])C1 ZINC000569457960 376437242 /nfs/dbraw/zinc/43/72/42/376437242.db2.gz VRRTUWPYJUEDBY-CQSZACIVSA-N 2 0 339.484 -0.674 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000410481660 376470142 /nfs/dbraw/zinc/47/01/42/376470142.db2.gz GDAPVVDXVVYVBT-OAHLLOKOSA-N 2 0 340.468 -0.280 20 0 EBADRP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000600729735 376487137 /nfs/dbraw/zinc/48/71/37/376487137.db2.gz XJVBUVCGZHTLFV-VIFPVBQESA-N 2 0 328.335 -0.069 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1nccs1 ZINC000560310154 376672194 /nfs/dbraw/zinc/67/21/94/376672194.db2.gz ZBVUSBZBJKUCFA-UHFFFAOYSA-N 2 0 341.481 -0.246 20 0 EBADRP CC[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H](C)O1 ZINC000583426773 376796340 /nfs/dbraw/zinc/79/63/40/376796340.db2.gz RCGGMEMAJDUBHT-GJZGRUSLSA-N 2 0 342.484 -0.036 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000561145604 376809879 /nfs/dbraw/zinc/80/98/79/376809879.db2.gz XEDOXYQIGKQEJH-AWEZNQCLSA-N 2 0 326.441 -0.273 20 0 EBADRP CN1CCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)[C@H](C[NH3+])C1 ZINC000561244537 376821017 /nfs/dbraw/zinc/82/10/17/376821017.db2.gz DHYNVEQBWZNJOC-OAHLLOKOSA-N 2 0 337.468 -0.922 20 0 EBADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000561256699 376824331 /nfs/dbraw/zinc/82/43/31/376824331.db2.gz BOXUJEIJKLVOOH-CHWSQXEVSA-N 2 0 338.452 -0.578 20 0 EBADRP CS(=O)(=O)N[C@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000635002554 376862997 /nfs/dbraw/zinc/86/29/97/376862997.db2.gz UKQNHBFWYGVDFS-OLZOCXBDSA-N 2 0 332.470 -0.803 20 0 EBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000562961588 377068511 /nfs/dbraw/zinc/06/85/11/377068511.db2.gz CTCBUJJDQBBXLA-GJZGRUSLSA-N 2 0 339.484 -0.580 20 0 EBADRP COC(=O)c1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n(C)n1 ZINC000601040039 377105916 /nfs/dbraw/zinc/10/59/16/377105916.db2.gz UQZIIQYBKWDZLD-UHFFFAOYSA-N 2 0 325.413 -0.228 20 0 EBADRP C[C@H](C(=O)NCCN1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1)[NH+](C)C ZINC000635935652 377141999 /nfs/dbraw/zinc/14/19/99/377141999.db2.gz ODATYGQNHDDZCX-ZIAGYGMSSA-N 2 0 327.473 -0.853 20 0 EBADRP CCN1CCN(C(=O)[C@H](C)N2CCC[C@H](S(N)(=O)=O)C2)CC1 ZINC000364109045 377155134 /nfs/dbraw/zinc/15/51/34/377155134.db2.gz QVBKYZACQVXFIX-STQMWFEESA-N 2 0 332.470 -0.708 20 0 EBADRP CC(C)(C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)N1CC[NH2+]CC1 ZINC000570713400 377273647 /nfs/dbraw/zinc/27/36/47/377273647.db2.gz NSOKZFOLFJUWEU-CYBMUJFWSA-N 2 0 325.457 -0.874 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000642986984 377441211 /nfs/dbraw/zinc/44/12/11/377441211.db2.gz ZHBNHEOMZLMDLX-UKRRQHHQSA-N 2 0 331.420 -0.156 20 0 EBADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000580320661 377470802 /nfs/dbraw/zinc/47/08/02/377470802.db2.gz QFLFBXKUWXUGNC-INIZCTEOSA-N 2 0 340.468 -0.330 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627372087 377510498 /nfs/dbraw/zinc/51/04/98/377510498.db2.gz BTZGCADWUODRAT-ZDUSSCGKSA-N 2 0 326.441 -0.399 20 0 EBADRP [NH3+][C@@H]1C[C@H]2CN(S(=O)(=O)CCC[NH+]3CCCC3)CCN2C1=O ZINC000601342255 377527769 /nfs/dbraw/zinc/52/77/69/377527769.db2.gz ANGRMXCKEQKCMP-QWHCGFSZSA-N 2 0 330.454 -0.954 20 0 EBADRP CC(C)[C@H](CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)[NH+]1CCN(C)CC1 ZINC000636524632 377551449 /nfs/dbraw/zinc/55/14/49/377551449.db2.gz RFCDEOHPTMCVLG-HOTGVXAUSA-N 2 0 341.500 -0.376 20 0 EBADRP COC(=O)CNC(=O)CC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000111231234 377638038 /nfs/dbraw/zinc/63/80/38/377638038.db2.gz XGKQBSHPFIYRPJ-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP CC[NH+]1CCN(CCC(=O)N2CCC[NH2+]C[C@H]2C(=O)OC)CC1 ZINC000592962369 377866329 /nfs/dbraw/zinc/86/63/29/377866329.db2.gz CVYJQQNKDQFLMX-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP COC(=O)[C@H]1C[NH2+]CCCN1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000592984477 377867160 /nfs/dbraw/zinc/86/71/60/377867160.db2.gz NHMSKXKXLMSXOZ-OAHLLOKOSA-N 2 0 340.468 -0.188 20 0 EBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000592553970 377842501 /nfs/dbraw/zinc/84/25/01/377842501.db2.gz YXCSUHRSZAOLQH-UONOGXRCSA-N 2 0 335.408 -0.215 20 0 EBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000592553972 377842586 /nfs/dbraw/zinc/84/25/86/377842586.db2.gz YXCSUHRSZAOLQH-ZIAGYGMSSA-N 2 0 335.408 -0.215 20 0 EBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)CCN2C1=O ZINC000594879656 377967662 /nfs/dbraw/zinc/96/76/62/377967662.db2.gz FTKXHFXRGNSBLL-RRFJBIMHSA-N 2 0 336.436 -0.600 20 0 EBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCc3ccc4c(c3)C[NH2+]C4)CCN2C1=O ZINC000595265890 377984274 /nfs/dbraw/zinc/98/42/74/377984274.db2.gz WIOVLEAOKZUMDP-CABCVRRESA-N 2 0 329.404 -0.257 20 0 EBADRP COC(=O)CCN1CCC[C@H]([N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1=O ZINC000595890805 378032830 /nfs/dbraw/zinc/03/28/30/378032830.db2.gz FGMZADLBPSSRBQ-CABCVRRESA-N 2 0 338.452 -0.480 20 0 EBADRP CCOC(=O)[C@@H](N)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000595947447 378042666 /nfs/dbraw/zinc/04/26/66/378042666.db2.gz LUMSELFWCXJPMK-HNNXBMFYSA-N 2 0 349.435 -0.400 20 0 EBADRP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000595670508 378022935 /nfs/dbraw/zinc/02/29/35/378022935.db2.gz VISBUTZIVQETJW-DZGCQCFKSA-N 2 0 325.409 -0.351 20 0 EBADRP CN(CC1C[NH+](C)C1)C(=O)CSCC(=O)N(C)CC1C[NH+](C)C1 ZINC000598161966 378158109 /nfs/dbraw/zinc/15/81/09/378158109.db2.gz FCBLYSVFSWAWNA-UHFFFAOYSA-N 2 0 342.509 -0.240 20 0 EBADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000602524015 378362010 /nfs/dbraw/zinc/36/20/10/378362010.db2.gz JSJAAPSPRLMRMG-PMPSAXMXSA-N 2 0 345.447 -0.784 20 0 EBADRP C[C@@H](CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)C[NH+]1CCN(C)CC1 ZINC000636850296 378413089 /nfs/dbraw/zinc/41/30/89/378413089.db2.gz ZBPKBNIQVRIHNI-GJZGRUSLSA-N 2 0 327.473 -0.764 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000563145164 378452006 /nfs/dbraw/zinc/45/20/06/378452006.db2.gz UXLMMNYGVBRNCO-JURCDPSOSA-N 2 0 340.468 -0.278 20 0 EBADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000563109471 378431695 /nfs/dbraw/zinc/43/16/95/378431695.db2.gz DAROOZKEGJPGCT-VHSXEESVSA-N 2 0 340.346 -0.781 20 0 EBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000636945354 378436047 /nfs/dbraw/zinc/43/60/47/378436047.db2.gz WTQDGVOEJAULID-ARFHVFGLSA-N 2 0 340.468 -0.270 20 0 EBADRP Cc1ncccc1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000637092140 378476188 /nfs/dbraw/zinc/47/61/88/378476188.db2.gz HPKZZKMZZCZHGZ-UHFFFAOYSA-N 2 0 335.452 -0.042 20 0 EBADRP C[NH+](C)C[C@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000637376001 378568055 /nfs/dbraw/zinc/56/80/55/378568055.db2.gz XNPUAVRNTMINPE-KGLIPLIRSA-N 2 0 325.457 -0.081 20 0 EBADRP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CCOCC[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000571013290 378753601 /nfs/dbraw/zinc/75/36/01/378753601.db2.gz PUXAQAVGSSXYCL-AAVRWANBSA-N 2 0 326.441 -0.769 20 0 EBADRP CN1CCN(C(=O)CCNC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000366209412 378834569 /nfs/dbraw/zinc/83/45/69/378834569.db2.gz VJBSZTHVXXLRRT-KRWDZBQOSA-N 2 0 337.468 -0.112 20 0 EBADRP C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCCN2CCOCC2)CC[N@@H+]1C ZINC000339496731 378930476 /nfs/dbraw/zinc/93/04/76/378930476.db2.gz USIKOUWGUKSMAX-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)ccc1=O ZINC000534284148 378989181 /nfs/dbraw/zinc/98/91/81/378989181.db2.gz SZEXPUOLFNXLKY-HNNXBMFYSA-N 2 0 333.436 -0.262 20 0 EBADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1=O ZINC000452794306 379097258 /nfs/dbraw/zinc/09/72/58/379097258.db2.gz GFAVFVSHNQUAKY-LSDHHAIUSA-N 2 0 340.468 -0.641 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629788334 379131472 /nfs/dbraw/zinc/13/14/72/379131472.db2.gz PGJFRJYVKROESO-MNOVXSKESA-N 2 0 338.374 -0.008 20 0 EBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCCC[NH2+]C)CC1 ZINC000627401177 379133325 /nfs/dbraw/zinc/13/33/25/379133325.db2.gz OMGRFPMWAJDISR-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP CC[NH+]1CCN(CC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)CC1 ZINC000618306009 379135749 /nfs/dbraw/zinc/13/57/49/379135749.db2.gz PTEFICAYRCHCNB-UHFFFAOYSA-N 2 0 327.473 -0.898 20 0 EBADRP CC(C)Nc1nc(NCCO)nc(NCC[NH+]2CCC(C)CC2)n1 ZINC000339973296 379113373 /nfs/dbraw/zinc/11/33/73/379113373.db2.gz MUCWLDOJBSATSD-UHFFFAOYSA-N 2 0 337.472 -0.494 20 0 EBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627473475 379120125 /nfs/dbraw/zinc/12/01/25/379120125.db2.gz NWQOPEDPLADMPC-ZIAGYGMSSA-N 2 0 326.441 -0.719 20 0 EBADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627293626 379140057 /nfs/dbraw/zinc/14/00/57/379140057.db2.gz YHVQNALTMPYKAX-HZPDHXFCSA-N 2 0 348.447 -0.620 20 0 EBADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627293624 379140526 /nfs/dbraw/zinc/14/05/26/379140526.db2.gz YHVQNALTMPYKAX-CVEARBPZSA-N 2 0 348.447 -0.620 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000629798758 379141908 /nfs/dbraw/zinc/14/19/08/379141908.db2.gz ZPLJVOZTQIPMNY-AWEZNQCLSA-N 2 0 325.457 -0.968 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000629799861 379142711 /nfs/dbraw/zinc/14/27/11/379142711.db2.gz VPFSWDJVAXKJLI-OAHLLOKOSA-N 2 0 340.468 -0.375 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000629799652 379142847 /nfs/dbraw/zinc/14/28/47/379142847.db2.gz SMHIUZMCFTWXHE-AWEZNQCLSA-N 2 0 326.441 -0.636 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000629800861 379144094 /nfs/dbraw/zinc/14/40/94/379144094.db2.gz CHHXFPDWVOKRLI-CQSZACIVSA-N 2 0 328.457 -0.247 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000629801590 379144577 /nfs/dbraw/zinc/14/45/77/379144577.db2.gz BBEWVUKBQMKDEM-UONOGXRCSA-N 2 0 326.441 -0.767 20 0 EBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000629808956 379145559 /nfs/dbraw/zinc/14/55/59/379145559.db2.gz LROZQKLXGWBGAW-UHFFFAOYSA-N 2 0 326.441 -0.493 20 0 EBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCOCC[NH3+])[C@H](C)C1 ZINC000629797188 379145801 /nfs/dbraw/zinc/14/58/01/379145801.db2.gz AYMGVNIEQICUKO-ZIAGYGMSSA-N 2 0 328.457 -0.391 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000629803289 379148400 /nfs/dbraw/zinc/14/84/00/379148400.db2.gz MPQFVWFMFSIXTQ-ZIAGYGMSSA-N 2 0 326.441 -0.637 20 0 EBADRP CN(CCOCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCC[NH+]1C ZINC000619325607 379184199 /nfs/dbraw/zinc/18/41/99/379184199.db2.gz VCRGHQOAMREGND-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP COC[C@]1(CNC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CCC[NH2+]1 ZINC000571507252 379199071 /nfs/dbraw/zinc/19/90/71/379199071.db2.gz FWHGZMFPWSMILB-IJEWVQPXSA-N 2 0 328.457 -0.149 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000627301912 379229023 /nfs/dbraw/zinc/22/90/23/379229023.db2.gz SDHQDTBCAQBTHT-WMLDXEAASA-N 2 0 342.484 -0.035 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627302393 379232214 /nfs/dbraw/zinc/23/22/14/379232214.db2.gz KPMDBMNTEZEJSI-CQSZACIVSA-N 2 0 338.452 -0.386 20 0 EBADRP [NH3+]C1(CNC(=O)C(=O)NCCC[NH+]2CCCCC2)CCOCC1 ZINC000627309628 379299174 /nfs/dbraw/zinc/29/91/74/379299174.db2.gz WCERVYJQNGQRDP-UHFFFAOYSA-N 2 0 326.441 -0.397 20 0 EBADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627312398 379303684 /nfs/dbraw/zinc/30/36/84/379303684.db2.gz XTWLBUOFNRNVJL-KFWWJZLASA-N 2 0 342.484 -0.097 20 0 EBADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627312238 379304971 /nfs/dbraw/zinc/30/49/71/379304971.db2.gz UGWJTRALHXFMNV-XGUBFFRZSA-N 2 0 340.468 -0.426 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000627344357 379385722 /nfs/dbraw/zinc/38/57/22/379385722.db2.gz CKFWAYZDZDWORQ-CQSZACIVSA-N 2 0 338.452 -0.386 20 0 EBADRP C[NH+]1CCN(c2ccc(CNC(=O)C[C@H]3C[NH2+]CCO3)cn2)CC1 ZINC000269279951 379355954 /nfs/dbraw/zinc/35/59/54/379355954.db2.gz DRPHYWSNIRDLPO-HNNXBMFYSA-N 2 0 333.436 -0.172 20 0 EBADRP C[NH+]1CCN(c2cc(CNC(=O)C[C@@H]3C[NH2+]CCO3)ccn2)CC1 ZINC000269310388 379362232 /nfs/dbraw/zinc/36/22/32/379362232.db2.gz WPCCMCWPJOVXHP-OAHLLOKOSA-N 2 0 333.436 -0.172 20 0 EBADRP CC[NH+]1CCC(NC(=O)Cn2cc(CN3CC[NH+](C)CC3)nn2)CC1 ZINC000640870199 379362688 /nfs/dbraw/zinc/36/26/88/379362688.db2.gz VUHZATYXRRGRTH-UHFFFAOYSA-N 2 0 349.483 -0.374 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621845676 379368950 /nfs/dbraw/zinc/36/89/50/379368950.db2.gz NMYXWHXASVVQKQ-CJNGLKHVSA-N 2 0 326.441 -0.589 20 0 EBADRP C[C@@H]([NH3+])CNC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000641494745 379431134 /nfs/dbraw/zinc/43/11/34/379431134.db2.gz YSYZWVAGGNBOPA-HIFRSBDPSA-N 2 0 335.452 -0.078 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000627349539 379408491 /nfs/dbraw/zinc/40/84/91/379408491.db2.gz RDJZKSDBNGVSAD-GXTWGEPZSA-N 2 0 326.441 -0.720 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000627349540 379410012 /nfs/dbraw/zinc/41/00/12/379410012.db2.gz RDJZKSDBNGVSAD-JSGCOSHPSA-N 2 0 326.441 -0.720 20 0 EBADRP Nc1nc(NCc2ccccc2C[NH+]2CCC(O)CC2)nc(N)[nH+]1 ZINC000624003959 379499599 /nfs/dbraw/zinc/49/95/99/379499599.db2.gz PWXGLXFNVNBCMQ-UHFFFAOYSA-N 2 0 329.408 -0.313 20 0 EBADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000641823881 379475781 /nfs/dbraw/zinc/47/57/81/379475781.db2.gz BLENPYVOAVGYOL-HNNXBMFYSA-N 2 0 340.468 -0.103 20 0 EBADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)c1nc(N)[nH+]c(N)n1 ZINC000624210162 379527182 /nfs/dbraw/zinc/52/71/82/379527182.db2.gz DWPQUBPZEUFLFN-UHFFFAOYSA-N 2 0 342.451 -0.049 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000627392763 379579123 /nfs/dbraw/zinc/57/91/23/379579123.db2.gz FBHHZBKDMYPUNI-UHFFFAOYSA-N 2 0 328.457 -0.201 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000627397824 379579888 /nfs/dbraw/zinc/57/98/88/379579888.db2.gz WRBUBNZTOIKXCD-UHFFFAOYSA-N 2 0 328.457 -0.199 20 0 EBADRP C[NH2+]CCCNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627401343 379582589 /nfs/dbraw/zinc/58/25/89/379582589.db2.gz VCUGITDJWGZDOY-UHFFFAOYSA-N 2 0 326.441 -0.575 20 0 EBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000627404570 379583778 /nfs/dbraw/zinc/58/37/78/379583778.db2.gz JSWJUKOETIFOGM-CYBMUJFWSA-N 2 0 326.441 -0.447 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000627425356 379592130 /nfs/dbraw/zinc/59/21/30/379592130.db2.gz NANVOIRDMYMLKI-UONOGXRCSA-N 2 0 326.441 -0.399 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000627425687 379593146 /nfs/dbraw/zinc/59/31/46/379593146.db2.gz XFAYCLATZFUNLO-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CC1(C)C ZINC000642647790 379560032 /nfs/dbraw/zinc/56/00/32/379560032.db2.gz UURFRVRRFUUZPQ-CQSZACIVSA-N 2 0 339.484 -0.613 20 0 EBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1(C)C ZINC000642647789 379560154 /nfs/dbraw/zinc/56/01/54/379560154.db2.gz UURFRVRRFUUZPQ-AWEZNQCLSA-N 2 0 339.484 -0.613 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000627355099 379562385 /nfs/dbraw/zinc/56/23/85/379562385.db2.gz XYTADMZKDRPYEK-AGUYFDCRSA-N 2 0 326.441 -0.448 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000627358107 379566021 /nfs/dbraw/zinc/56/60/21/379566021.db2.gz ARIHYMUPCBTZLB-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000627367010 379568945 /nfs/dbraw/zinc/56/89/45/379568945.db2.gz IBLGVECDFJRGIO-UHFFFAOYSA-N 2 0 340.468 -0.186 20 0 EBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627452115 379603902 /nfs/dbraw/zinc/60/39/02/379603902.db2.gz BCNLIEGEFDSMLL-UHFFFAOYSA-N 2 0 340.468 -0.057 20 0 EBADRP C[C@H](CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[NH+]1CCCCC1 ZINC000627387029 379576642 /nfs/dbraw/zinc/57/66/42/379576642.db2.gz CZGRLERNQURNTF-ZIAGYGMSSA-N 2 0 326.441 -0.528 20 0 EBADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627488182 379635800 /nfs/dbraw/zinc/63/58/00/379635800.db2.gz SWLNGCXLXDGSEM-UHFFFAOYSA-N 2 0 328.457 -0.199 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000627488536 379636418 /nfs/dbraw/zinc/63/64/18/379636418.db2.gz BJUZNHDPHOBWEA-AWEZNQCLSA-N 2 0 326.441 -0.445 20 0 EBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000627493598 379641294 /nfs/dbraw/zinc/64/12/94/379641294.db2.gz MHMLSTXVQUNWJW-HIFRSBDPSA-N 2 0 349.435 -0.796 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000627493779 379642429 /nfs/dbraw/zinc/64/24/29/379642429.db2.gz QLVMBXRLQSPRJE-HNNXBMFYSA-N 2 0 349.435 -0.794 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000627501313 379645497 /nfs/dbraw/zinc/64/54/97/379645497.db2.gz FFELFOILFIWKHD-SOUVJXGZSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000627501402 379646414 /nfs/dbraw/zinc/64/64/14/379646414.db2.gz JDZADVIQSGNJDL-DZGCQCFKSA-N 2 0 338.452 -0.576 20 0 EBADRP CN(C(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627507373 379647636 /nfs/dbraw/zinc/64/76/36/379647636.db2.gz PQHGPQMOULNYGO-HIFRSBDPSA-N 2 0 337.468 -0.909 20 0 EBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCC3([NH3+])CCOCC3)CC[C@@H]21 ZINC000627454809 379605504 /nfs/dbraw/zinc/60/55/04/379605504.db2.gz ZZNLCCGUDZKFJR-KBPBESRZSA-N 2 0 338.452 -0.447 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000627459260 379607327 /nfs/dbraw/zinc/60/73/27/379607327.db2.gz DWOSYHJFKKAGMT-LSDHHAIUSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CCCO1 ZINC000642190883 379734353 /nfs/dbraw/zinc/73/43/53/379734353.db2.gz AKANHFKKDKJSLP-GJZGRUSLSA-N 2 0 340.468 -0.138 20 0 EBADRP C[C@H](CNC(=O)[C@@H]1CC[C@@H](C(=O)NC[C@H](C)[NH+](C)C)O1)[NH+](C)C ZINC000495014160 379702041 /nfs/dbraw/zinc/70/20/41/379702041.db2.gz BVWBNCJDWGTBBD-CRWXNKLISA-N 2 0 328.457 -0.333 20 0 EBADRP [NH3+][C@@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C[C@H]1c1cccc(F)c1 ZINC000631945161 379789287 /nfs/dbraw/zinc/78/92/87/379789287.db2.gz QFSAERKLZIVNOK-SOUVJXGZSA-N 2 0 343.424 -0.130 20 0 EBADRP CCO[C@@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000631947618 379790474 /nfs/dbraw/zinc/79/04/74/379790474.db2.gz ISDRZBZPYCYKEJ-HUUCEWRRSA-N 2 0 348.513 -0.751 20 0 EBADRP CN([C@@H](C[NH3+])C(F)(F)F)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631953077 379792176 /nfs/dbraw/zinc/79/21/76/379792176.db2.gz BUCQLEWSQSGWCD-NSHDSACASA-N 2 0 346.419 -0.225 20 0 EBADRP C[NH+](C)CCCS(=O)(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000631898813 379768662 /nfs/dbraw/zinc/76/86/62/379768662.db2.gz USVBXRSYIMFTCY-UHFFFAOYSA-N 2 0 346.497 -0.492 20 0 EBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NCCOCCC[NH3+])C2)CC1 ZINC000626978413 379770742 /nfs/dbraw/zinc/77/07/42/379770742.db2.gz CRYDESPKLQUPAV-AWEZNQCLSA-N 2 0 327.473 -0.181 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CC1 ZINC000631908377 379771665 /nfs/dbraw/zinc/77/16/65/379771665.db2.gz MKNPJLQMMCUIOB-HNNXBMFYSA-N 2 0 330.498 -0.220 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631918302 379776644 /nfs/dbraw/zinc/77/66/44/379776644.db2.gz YPCCOAWZTZDTQT-CQSZACIVSA-N 2 0 334.486 -0.385 20 0 EBADRP [NH3+]CCN(CCc1ccccc1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631936715 379785042 /nfs/dbraw/zinc/78/50/42/379785042.db2.gz JTMXGINZCBUEBD-OAHLLOKOSA-N 2 0 327.450 -0.192 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000631938380 379787729 /nfs/dbraw/zinc/78/77/29/379787729.db2.gz BWYYKRFXQYBVJV-AWEZNQCLSA-N 2 0 330.498 -0.315 20 0 EBADRP O=C(NC[C@H]1COCC[NH2+]1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000627192155 379829350 /nfs/dbraw/zinc/82/93/50/379829350.db2.gz OMAQFFLWEKXVLC-LSDHHAIUSA-N 2 0 326.441 -0.225 20 0 EBADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632500424 379870136 /nfs/dbraw/zinc/87/01/36/379870136.db2.gz WFGCZOPDTMYAEY-AWEZNQCLSA-N 2 0 346.497 -0.146 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC000642329775 379812704 /nfs/dbraw/zinc/81/27/04/379812704.db2.gz OKYDEQKRJVOIDA-CBBWQLFWSA-N 2 0 340.468 -0.202 20 0 EBADRP C[C@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@H]1[NH+](C)C ZINC000632092378 379814710 /nfs/dbraw/zinc/81/47/10/379814710.db2.gz BSVGKIHITHBFOD-LSDHHAIUSA-N 2 0 332.514 -0.164 20 0 EBADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627190828 379827518 /nfs/dbraw/zinc/82/75/18/379827518.db2.gz WEFSHETTXBNESG-CQSZACIVSA-N 2 0 327.473 -0.310 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633087207 379930223 /nfs/dbraw/zinc/93/02/23/379930223.db2.gz HEJLKTNUYQIZEK-OAHLLOKOSA-N 3 0 341.500 -0.332 20 0 EBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637834777 379877232 /nfs/dbraw/zinc/87/72/32/379877232.db2.gz HGSUIPFSKWOMRB-QGZVFWFLSA-N 2 0 333.480 -0.191 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633088878 379932382 /nfs/dbraw/zinc/93/23/82/379932382.db2.gz IYUVQKBEXLEMKA-KBPBESRZSA-N 2 0 326.441 -0.624 20 0 EBADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1=O ZINC000633106196 379940020 /nfs/dbraw/zinc/94/00/20/379940020.db2.gz LONQZPSLQPBXTG-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C[C@H]1C[NH3+] ZINC000633107830 379942739 /nfs/dbraw/zinc/94/27/39/379942739.db2.gz AVPNLOYDRYCEHJ-RBSFLKMASA-N 2 0 340.468 -0.391 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@H]([NH3+])C[C@@H]3C)CC2)c1 ZINC000633115171 379944581 /nfs/dbraw/zinc/94/45/81/379944581.db2.gz GWPLCXURJYGDOB-QWHCGFSZSA-N 2 0 347.419 -0.313 20 0 EBADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cn(C)c(=O)n(C)c3=O)C2)CC1 ZINC000539861489 380003386 /nfs/dbraw/zinc/00/33/86/380003386.db2.gz AOZQUSKQWZLUDI-INIZCTEOSA-N 2 0 349.479 -0.316 20 0 EBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000354711543 380085814 /nfs/dbraw/zinc/08/58/14/380085814.db2.gz MAHVCNOWSYARGX-GJZGRUSLSA-N 2 0 338.452 -0.575 20 0 EBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@]2(C)C[NH2+]CCO2)c1 ZINC000638086508 380108983 /nfs/dbraw/zinc/10/89/83/380108983.db2.gz SJNVHKMSXGLMOI-SFHVURJKSA-N 2 0 348.447 -0.027 20 0 EBADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)nn1 ZINC000630702911 380205064 /nfs/dbraw/zinc/20/50/64/380205064.db2.gz DJEXRNPRMTYWTP-FIRUKDTASA-N 2 0 334.424 -0.762 20 0 EBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000355277506 380178617 /nfs/dbraw/zinc/17/86/17/380178617.db2.gz VZSICUVHDMGDEX-HNNXBMFYSA-N 2 0 341.500 -0.461 20 0 EBADRP C[N@H+](CCCO)C1CCN(C(=O)NCCN2CCOCC2)CC1 ZINC000360935970 380277623 /nfs/dbraw/zinc/27/76/23/380277623.db2.gz ZAZZMRWGWAEZLF-UHFFFAOYSA-N 2 0 328.457 -0.193 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH+]2CCC[C@H](C)C2)C1 ZINC000340221497 380285327 /nfs/dbraw/zinc/28/53/27/380285327.db2.gz XCWMWMYPBHPWSM-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[C@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@H](CC)[NH+](C)C)[NH+](C)C ZINC000615216514 380296330 /nfs/dbraw/zinc/29/63/30/380296330.db2.gz YWHHZPAPJNVYMJ-MJBXVCDLSA-N 2 0 330.473 -0.398 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000362825942 380435182 /nfs/dbraw/zinc/43/51/82/380435182.db2.gz LABMEIMLCUBAIF-JSGCOSHPSA-N 2 0 336.440 -0.303 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000362825941 380435781 /nfs/dbraw/zinc/43/57/81/380435781.db2.gz LABMEIMLCUBAIF-GXTWGEPZSA-N 2 0 336.440 -0.303 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000362943373 380444951 /nfs/dbraw/zinc/44/49/51/380444951.db2.gz YECLWYPMVISCGD-CVEARBPZSA-N 2 0 326.485 -0.310 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000565294494 380414338 /nfs/dbraw/zinc/41/43/38/380414338.db2.gz NJDHRACGUMPCRR-OAHLLOKOSA-N 2 0 337.468 -0.064 20 0 EBADRP CN1CC[NH+](CC2(C)CC[NH+](CCC(=O)NC(N)=O)CC2)CC1 ZINC000368331792 380502908 /nfs/dbraw/zinc/50/29/08/380502908.db2.gz KUOSPWRJIBEYTH-UHFFFAOYSA-N 2 0 325.457 -0.079 20 0 EBADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000567249380 380508754 /nfs/dbraw/zinc/50/87/54/380508754.db2.gz BSBILSRQDCMYJA-UKRRQHHQSA-N 2 0 346.497 -0.113 20 0 EBADRP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@@H](O)CN2CCOCC2)CC1 ZINC000567262391 380509196 /nfs/dbraw/zinc/50/91/96/380509196.db2.gz MWUDZXXQUHBBFX-QGZVFWFLSA-N 2 0 349.479 -0.384 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340482309 380512937 /nfs/dbraw/zinc/51/29/37/380512937.db2.gz FPPROKSYLVYYMF-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP O=C(C[C@H]1CSCC[NH2+]1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638480303 380482921 /nfs/dbraw/zinc/48/29/21/380482921.db2.gz KVQQYAJLHXCOJC-ZDUSSCGKSA-N 2 0 341.481 -0.749 20 0 EBADRP CN1CCN(C(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)[C@H](C[NH3+])C1 ZINC000567604250 380530326 /nfs/dbraw/zinc/53/03/26/380530326.db2.gz CYPHQOHKSASMBU-OAHLLOKOSA-N 2 0 339.484 -0.722 20 0 EBADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC[C@H]1COCC[NH2+]1 ZINC000638616829 380534731 /nfs/dbraw/zinc/53/47/31/380534731.db2.gz BPAZRDCRXRWGQF-HNNXBMFYSA-N 2 0 333.436 -0.302 20 0 EBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000567818325 380546385 /nfs/dbraw/zinc/54/63/85/380546385.db2.gz SZMGFSSRNDSXDQ-KBPBESRZSA-N 2 0 326.441 -0.496 20 0 EBADRP CCCNC(=O)CNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369388517 380554369 /nfs/dbraw/zinc/55/43/69/380554369.db2.gz XVZMUTVSVWCCSD-CYBMUJFWSA-N 2 0 325.457 -0.020 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000340584278 380556756 /nfs/dbraw/zinc/55/67/56/380556756.db2.gz PHUOATPXFZQTST-HNNXBMFYSA-N 2 0 342.484 -0.129 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000340585308 380557485 /nfs/dbraw/zinc/55/74/85/380557485.db2.gz VWJVRXZIBQBFAZ-LSDHHAIUSA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000340783341 380630421 /nfs/dbraw/zinc/63/04/21/380630421.db2.gz WGLBHWAZHCUVDQ-AWEZNQCLSA-N 2 0 327.473 -0.994 20 0 EBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000569123985 380631253 /nfs/dbraw/zinc/63/12/53/380631253.db2.gz YJPXWGLACRBKRZ-CABCVRRESA-N 2 0 339.484 -0.676 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000340802987 380635072 /nfs/dbraw/zinc/63/50/72/380635072.db2.gz RSESLCQRMKHQQN-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000572617434 380639388 /nfs/dbraw/zinc/63/93/88/380639388.db2.gz MXOCRCOKWNRJPF-HUUCEWRRSA-N 3 0 327.473 -0.373 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000572712886 380641450 /nfs/dbraw/zinc/64/14/50/380641450.db2.gz JHOGZRJVKYHXIT-CABCVRRESA-N 2 0 340.468 -0.247 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000568492050 380604826 /nfs/dbraw/zinc/60/48/26/380604826.db2.gz AFULYESVXTXWPX-RFQIPJPRSA-N 2 0 338.452 -0.089 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000572842076 380646953 /nfs/dbraw/zinc/64/69/53/380646953.db2.gz PSFDPTLCYVJMBA-RFQIPJPRSA-N 2 0 328.457 -0.156 20 0 EBADRP CCC[C@@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+]1CCOC ZINC000568751873 380615632 /nfs/dbraw/zinc/61/56/32/380615632.db2.gz LOGPEOFSOFVYHV-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000569111843 380629530 /nfs/dbraw/zinc/62/95/30/380629530.db2.gz XWDVBVXELYHFLL-CQSZACIVSA-N 2 0 346.431 -0.520 20 0 EBADRP O=C(NC1C[NH2+]C1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000573226190 380663414 /nfs/dbraw/zinc/66/34/14/380663414.db2.gz AOBOKTUYDDMBQP-UHFFFAOYSA-N 2 0 330.432 -0.102 20 0 EBADRP C[C@H]1CC[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)O1 ZINC000573234667 380665341 /nfs/dbraw/zinc/66/53/41/380665341.db2.gz DUHNFVMMZQSGRL-UONOGXRCSA-N 2 0 328.457 -0.378 20 0 EBADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C(=O)NC1C[NH2+]C1 ZINC000573549575 380678089 /nfs/dbraw/zinc/67/80/89/380678089.db2.gz QCRDTVFPQAEAJT-UHFFFAOYSA-N 2 0 338.452 -0.527 20 0 EBADRP O=C(CCOC1C[NH2+]C1)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000573916208 380692666 /nfs/dbraw/zinc/69/26/66/380692666.db2.gz LUOPATQENNBQBN-UKRRQHHQSA-N 2 0 338.452 -0.528 20 0 EBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)C2)CC1 ZINC000372234734 380698114 /nfs/dbraw/zinc/69/81/14/380698114.db2.gz XQESNQXTNAXMQL-YOEHRIQHSA-N 2 0 341.500 -0.233 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccnc(-n3cccn3)c2)CC1 ZINC000574270640 380707029 /nfs/dbraw/zinc/70/70/29/380707029.db2.gz GAYVJWISKCYNBI-INIZCTEOSA-N 2 0 330.436 -0.035 20 0 EBADRP CN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)[C@@H](C[NH3+])C1 ZINC000582410617 380757460 /nfs/dbraw/zinc/75/74/60/380757460.db2.gz IHRYYCJZWKUSEY-ZFWWWQNUSA-N 2 0 337.468 -0.779 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638784938 380757787 /nfs/dbraw/zinc/75/77/87/380757787.db2.gz YCFKNFWEDAKSKF-ZBFHGGJFSA-N 2 0 340.468 -0.297 20 0 EBADRP C[N@H+](CCNC(=O)NCC(=O)N1CC[NH2+]CC1)Cc1ccccc1 ZINC000574503880 380714353 /nfs/dbraw/zinc/71/43/53/380714353.db2.gz JTYBOGSQORYJFO-UHFFFAOYSA-N 2 0 333.436 -0.151 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000341550526 380717321 /nfs/dbraw/zinc/71/73/21/380717321.db2.gz SUAQREWLIZKYHL-RBSFLKMASA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000341647370 380725709 /nfs/dbraw/zinc/72/57/09/380725709.db2.gz VCJRNJGDOZUKAX-KGLIPLIRSA-N 2 0 326.441 -0.589 20 0 EBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)C[C@@H]3CSCC[NH2+]3)CC2)C1=O ZINC000638855912 380773625 /nfs/dbraw/zinc/77/36/25/380773625.db2.gz ILDGTPAAAMWATF-ZIAGYGMSSA-N 2 0 340.493 -0.107 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2C[NH2+]CCN2C)C[C@@H](C)O1 ZINC000416937200 380796584 /nfs/dbraw/zinc/79/65/84/380796584.db2.gz CQVKWWPLQTWTSR-KFWWJZLASA-N 2 0 327.473 -0.312 20 0 EBADRP CC[NH+](C)C[C@H](O)CN1CCN(C[C@@H](O)C[N@@H+](C)CC)CC(C)C1 ZINC000578024199 380875800 /nfs/dbraw/zinc/87/58/00/380875800.db2.gz QJDXBFGBXVEUOM-ROUUACIJSA-N 2 0 344.544 -0.135 20 0 EBADRP CN1C(=O)CN(CC(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)C1=O ZINC000638983516 380849889 /nfs/dbraw/zinc/84/98/89/380849889.db2.gz IYOOTJVYCBVAKV-UHFFFAOYSA-N 2 0 332.364 -0.676 20 0 EBADRP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCN(C(=O)C2CC2)CC1 ZINC000583693730 380850600 /nfs/dbraw/zinc/85/06/00/380850600.db2.gz GRECRHXZMDLVHJ-IYBDPMFKSA-N 2 0 334.464 -0.001 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417429817 380887026 /nfs/dbraw/zinc/88/70/26/380887026.db2.gz NWNYAHGVXACMGU-KGLIPLIRSA-N 2 0 325.457 -0.034 20 0 EBADRP COCC[N@H+](C)CCNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000417443711 380890954 /nfs/dbraw/zinc/89/09/54/380890954.db2.gz ZQBBKBGJSCJAQD-CQSZACIVSA-N 2 0 343.472 -0.406 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C[C@H](C)O)[C@H](C)CO)C1 ZINC000377032098 380950403 /nfs/dbraw/zinc/95/04/03/380950403.db2.gz SWNZGMSFAMVEET-OWCLPIDISA-N 2 0 345.484 -0.477 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C[C@@H](C)O)[C@@H](C)CO)C1 ZINC000377032087 380951491 /nfs/dbraw/zinc/95/14/91/380951491.db2.gz SWNZGMSFAMVEET-ARFHVFGLSA-N 2 0 345.484 -0.477 20 0 EBADRP COCCN1CCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000343686904 381010777 /nfs/dbraw/zinc/01/07/77/381010777.db2.gz VXEGHFHPSRKFJJ-UHFFFAOYSA-N 2 0 340.468 -0.232 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000426057212 380986949 /nfs/dbraw/zinc/98/69/49/380986949.db2.gz HCJRJCQVYYZGHR-UHFFFAOYSA-N 2 0 343.472 -0.454 20 0 EBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000579378242 380987420 /nfs/dbraw/zinc/98/74/20/380987420.db2.gz XPHKZZYHFMVSTP-ZIAGYGMSSA-N 2 0 326.441 -0.672 20 0 EBADRP CN(Cc1ccccc1)C(=O)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000579582877 380999125 /nfs/dbraw/zinc/99/91/25/380999125.db2.gz RXWLNZWRWCLFSM-KRWDZBQOSA-N 2 0 334.464 -0.157 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCC[NH+](C)C1CCCC1 ZINC000343673844 381007788 /nfs/dbraw/zinc/00/77/88/381007788.db2.gz MQTJKCOKVFKKOK-OAHLLOKOSA-N 2 0 339.484 -0.661 20 0 EBADRP C[N@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000580942677 381046145 /nfs/dbraw/zinc/04/61/45/381046145.db2.gz NAOSFPLBABUSNE-INIZCTEOSA-N 2 0 345.447 -0.018 20 0 EBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000193706821 381043531 /nfs/dbraw/zinc/04/35/31/381043531.db2.gz MFAKMIFCPRYSDD-CHWSQXEVSA-N 2 0 328.482 -0.072 20 0 EBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000642431206 381091387 /nfs/dbraw/zinc/09/13/87/381091387.db2.gz WEVRVVXQKPNIPE-ZNMIVQPWSA-N 2 0 340.468 -0.058 20 0 EBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000642440182 381094730 /nfs/dbraw/zinc/09/47/30/381094730.db2.gz YDJLEFKGBLKVOL-BFHYXJOUSA-N 2 0 326.441 -0.448 20 0 EBADRP CC(C)[C@H](C[NH2+]C[C@@H](O)CN1CCOCC1)N1CC[NH+](C)CC1 ZINC000583199402 381108308 /nfs/dbraw/zinc/10/83/08/381108308.db2.gz NMVFJRLCMIQLMO-SJORKVTESA-N 2 0 328.501 -0.459 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CC1 ZINC000188756528 381112643 /nfs/dbraw/zinc/11/26/43/381112643.db2.gz TYJGHVKTZBBNMB-UHFFFAOYSA-N 2 0 346.435 -0.564 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000583802299 381141725 /nfs/dbraw/zinc/14/17/25/381141725.db2.gz OUWJELKGVCOORS-HUUCEWRRSA-N 2 0 337.468 -0.066 20 0 EBADRP C[C@]12C[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)C[C@]1(C)C(=O)NC2=O ZINC000639944984 381153086 /nfs/dbraw/zinc/15/30/86/381153086.db2.gz HADMVJDCYJZLRY-QZTJIDSGSA-N 2 0 348.447 -0.286 20 0 EBADRP CC(C)[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000584396662 381125672 /nfs/dbraw/zinc/12/56/72/381125672.db2.gz JVUVVYNYTNERNJ-HNNXBMFYSA-N 2 0 342.484 -0.178 20 0 EBADRP C[C@@H](CO)[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000347231573 381188608 /nfs/dbraw/zinc/18/86/08/381188608.db2.gz NSCZRYSZWBFZFL-GJZGRUSLSA-N 2 0 340.468 -0.688 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCn2c(=O)[nH]c3ccccc32)CC1 ZINC000584585558 381189901 /nfs/dbraw/zinc/18/99/01/381189901.db2.gz KGNNBOKKYCBUEV-AWEZNQCLSA-N 2 0 333.436 -0.060 20 0 EBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000633141413 381241759 /nfs/dbraw/zinc/24/17/59/381241759.db2.gz JZTPUUJOTRQKPT-STQMWFEESA-N 2 0 326.441 -0.496 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000627385933 381286868 /nfs/dbraw/zinc/28/68/68/381286868.db2.gz AHTBGMGKZSYYFY-RRQGHBQHSA-N 2 0 338.452 -0.719 20 0 EBADRP CC(C)(CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[NH+]1CCCCC1 ZINC000418828516 381289000 /nfs/dbraw/zinc/28/90/00/381289000.db2.gz FSLQIGUJORIBOR-AWEZNQCLSA-N 2 0 340.468 -0.138 20 0 EBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1cccs1 ZINC000418836497 381290661 /nfs/dbraw/zinc/29/06/61/381290661.db2.gz RHJMBHWRRCNBIR-NEPJUHHUSA-N 2 0 340.449 -0.347 20 0 EBADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)c1cccs1 ZINC000418836500 381291749 /nfs/dbraw/zinc/29/17/49/381291749.db2.gz RHJMBHWRRCNBIR-VXGBXAGGSA-N 2 0 340.449 -0.347 20 0 EBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C[N@@H+]1C1CC1 ZINC000347960491 381296644 /nfs/dbraw/zinc/29/66/44/381296644.db2.gz HHIDYZNMXGTZLW-NFAWXSAZSA-N 2 0 337.468 -0.910 20 0 EBADRP C[C@@H]1[C@H](NC(=O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)CCC[N@@H+]1C ZINC000347760813 381274843 /nfs/dbraw/zinc/27/48/43/381274843.db2.gz LAUNSKVNTIEFCY-MGPQQGTHSA-N 2 0 326.441 -0.626 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000418874851 381323870 /nfs/dbraw/zinc/32/38/70/381323870.db2.gz CLAZARIJVKMUKT-ZIAGYGMSSA-N 2 0 328.457 -0.282 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000418876908 381325710 /nfs/dbraw/zinc/32/57/10/381325710.db2.gz HKVXFNVFBMSMLS-UONOGXRCSA-N 2 0 328.457 -0.297 20 0 EBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000418876907 381325816 /nfs/dbraw/zinc/32/58/16/381325816.db2.gz HKVXFNVFBMSMLS-KGLIPLIRSA-N 2 0 328.457 -0.297 20 0 EBADRP O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000643478771 381328489 /nfs/dbraw/zinc/32/84/89/381328489.db2.gz DSSBXYLZOYUVMA-SFHVURJKSA-N 2 0 343.431 -0.058 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000643478969 381329014 /nfs/dbraw/zinc/32/90/14/381329014.db2.gz WDSHQJSWAZEITM-ZFWWWQNUSA-N 2 0 347.419 -0.695 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)C1 ZINC000418912507 381346541 /nfs/dbraw/zinc/34/65/41/381346541.db2.gz DEXYFDKNDCBSLD-ZIAGYGMSSA-N 2 0 328.457 -0.441 20 0 EBADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000419021924 381355960 /nfs/dbraw/zinc/35/59/60/381355960.db2.gz BDNWDFFEPZDFRL-GDBMZVCRSA-N 2 0 348.447 -0.282 20 0 EBADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419028069 381358370 /nfs/dbraw/zinc/35/83/70/381358370.db2.gz PULNXKHSQZZYNB-LJISPDSOSA-N 2 0 340.468 -0.426 20 0 EBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419082238 381361451 /nfs/dbraw/zinc/36/14/51/381361451.db2.gz UEELEBOZYKXPSL-KBPBESRZSA-N 2 0 326.441 -0.447 20 0 EBADRP CC1CC[NH+](CCCNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000419010050 381363023 /nfs/dbraw/zinc/36/30/23/381363023.db2.gz YAUXCFGLUZGEMY-CQSZACIVSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000419096444 381374546 /nfs/dbraw/zinc/37/45/46/381374546.db2.gz CKUUNBXIOLXAAJ-IHRRRGAJSA-N 2 0 326.441 -0.842 20 0 EBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000418911045 381343357 /nfs/dbraw/zinc/34/33/57/381343357.db2.gz BKEQAKIKMJRBTP-ZIAGYGMSSA-N 2 0 328.457 -0.569 20 0 EBADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)C(C)(C)C ZINC000419134488 381392949 /nfs/dbraw/zinc/39/29/49/381392949.db2.gz KCDSLTAAFCFJJR-CHWSQXEVSA-N 2 0 328.457 -0.345 20 0 EBADRP C[NH+](C)CC[C@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)C(C)(C)C ZINC000419140821 381394827 /nfs/dbraw/zinc/39/48/27/381394827.db2.gz WEJKQKKRASLGJW-KBPBESRZSA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[NH+]1CCC(C)CC1 ZINC000419144061 381394923 /nfs/dbraw/zinc/39/49/23/381394923.db2.gz FDKZUOXPDVGQLU-UONOGXRCSA-N 2 0 326.441 -0.672 20 0 EBADRP [NH3+]CCN(CCO)C(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419199723 381399937 /nfs/dbraw/zinc/39/99/37/381399937.db2.gz DOFUJTPBXMTHGZ-INIZCTEOSA-N 2 0 348.447 -0.453 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@@H](C)C[NH2+]1 ZINC000419187807 381403664 /nfs/dbraw/zinc/40/36/64/381403664.db2.gz RNPYFFXCDDUWIK-KGLIPLIRSA-N 2 0 339.484 -0.663 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000419364818 381422298 /nfs/dbraw/zinc/42/22/98/381422298.db2.gz WYSWWWILTLZGAO-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)Cc2ccccc2C1 ZINC000419372381 381425028 /nfs/dbraw/zinc/42/50/28/381425028.db2.gz KNUXOKPNZLAOHG-OAHLLOKOSA-N 2 0 330.432 -0.320 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000419451262 381438820 /nfs/dbraw/zinc/43/88/20/381438820.db2.gz MYSUFMLCHIYSQQ-KBPBESRZSA-N 2 0 328.457 -0.201 20 0 EBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000419501156 381440728 /nfs/dbraw/zinc/44/07/28/381440728.db2.gz AUKUSJSFCVYGIZ-BFHYXJOUSA-N 2 0 328.457 -0.202 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H](C)[NH+](CCO)C[C@@H]2C)C1 ZINC000419463690 381441569 /nfs/dbraw/zinc/44/15/69/381441569.db2.gz NOZIRFPHDPRQMW-KKUMJFAQSA-N 2 0 328.457 -0.196 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419539071 381450947 /nfs/dbraw/zinc/45/09/47/381450947.db2.gz PLFVOHYUJGODKH-CABCVRRESA-N 2 0 340.468 -0.281 20 0 EBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000419480563 381445503 /nfs/dbraw/zinc/44/55/03/381445503.db2.gz NRXKCKPNJWLGBD-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419529720 381448407 /nfs/dbraw/zinc/44/84/07/381448407.db2.gz DICVRLNNTQGCOM-ZDUSSCGKSA-N 2 0 328.457 -0.343 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000419526849 381449087 /nfs/dbraw/zinc/44/90/87/381449087.db2.gz AZMYKVZMVVLDIR-KFWWJZLASA-N 2 0 340.468 -0.201 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000419548742 381453456 /nfs/dbraw/zinc/45/34/56/381453456.db2.gz UKNJTARIKIMGNS-KBPBESRZSA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CCSC1 ZINC000419590687 381459183 /nfs/dbraw/zinc/45/91/83/381459183.db2.gz UNQYEQMHZDVKLK-DOMZBBRYSA-N 2 0 328.482 -0.202 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C[C@@H](C)[NH2+]1 ZINC000419591130 381461266 /nfs/dbraw/zinc/46/12/66/381461266.db2.gz VECCOORBNXCRKP-LALPHHSUSA-N 2 0 328.482 -0.251 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419595736 381462476 /nfs/dbraw/zinc/46/24/76/381462476.db2.gz XBQXNGPAAZQJQA-UONOGXRCSA-N 2 0 326.441 -0.447 20 0 EBADRP CC(C)(CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)C[NH+]1CCCC1 ZINC000419667040 381466804 /nfs/dbraw/zinc/46/68/04/381466804.db2.gz RNRWXUXKTAZNAU-AWEZNQCLSA-N 2 0 340.468 -0.281 20 0 EBADRP C[NH2+]CCNC(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000419866441 381512650 /nfs/dbraw/zinc/51/26/50/381512650.db2.gz GQQALDMHDDAXCI-SFHVURJKSA-N 2 0 348.447 -0.583 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419865727 381513920 /nfs/dbraw/zinc/51/39/20/381513920.db2.gz UBUXERKRDJHWDR-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[NH2+]CCNC(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000419889911 381516585 /nfs/dbraw/zinc/51/65/85/381516585.db2.gz LHYIMMMQFCJBAR-UHFFFAOYSA-N 2 0 335.408 -0.536 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000419889082 381517229 /nfs/dbraw/zinc/51/72/29/381517229.db2.gz KRYSMSBOXCTNQA-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419771829 381488872 /nfs/dbraw/zinc/48/88/72/381488872.db2.gz HIDXGVHJKWFEJS-CQSZACIVSA-N 2 0 339.484 -0.756 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000419728265 381490216 /nfs/dbraw/zinc/49/02/16/381490216.db2.gz MNUJDKKZFJKRJA-ZIAGYGMSSA-N 2 0 326.441 -0.543 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000419728262 381490251 /nfs/dbraw/zinc/49/02/51/381490251.db2.gz MNUJDKKZFJKRJA-KBPBESRZSA-N 2 0 326.441 -0.543 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)NCCN2CC[NH2+]CC2)CCCCC1 ZINC000419819867 381500309 /nfs/dbraw/zinc/50/03/09/381500309.db2.gz NOHMTUWLJYHATF-UHFFFAOYSA-N 2 0 339.484 -0.612 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000420150197 381548732 /nfs/dbraw/zinc/54/87/32/381548732.db2.gz WPWGCHMNNXAEBG-KFWWJZLASA-N 2 0 340.468 -0.330 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000420150855 381549470 /nfs/dbraw/zinc/54/94/70/381549470.db2.gz AGUWAWALTBORRX-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000419982503 381526020 /nfs/dbraw/zinc/52/60/20/381526020.db2.gz SZKHOZWNTCHTKM-OAHLLOKOSA-N 2 0 340.468 -0.343 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000420041759 381527662 /nfs/dbraw/zinc/52/76/62/381527662.db2.gz CLPPMQHHXCHRRQ-CQSZACIVSA-N 2 0 339.484 -0.532 20 0 EBADRP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420303085 381578979 /nfs/dbraw/zinc/57/89/79/381578979.db2.gz GWHHNIQCRPEAMM-NSHDSACASA-N 2 0 349.435 -0.687 20 0 EBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000420318403 381579042 /nfs/dbraw/zinc/57/90/42/381579042.db2.gz WAHXZKMJEYMCOS-CYBMUJFWSA-N 2 0 342.440 -0.673 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000420162697 381553299 /nfs/dbraw/zinc/55/32/99/381553299.db2.gz YIVHWPQMQKNQCS-CYBMUJFWSA-N 2 0 349.435 -0.147 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000420169801 381555775 /nfs/dbraw/zinc/55/57/75/381555775.db2.gz LVTKCGXQSJBIIO-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420186024 381565063 /nfs/dbraw/zinc/56/50/63/381565063.db2.gz KPLJDHPIWLEFDK-HNNXBMFYSA-N 2 0 340.468 -0.185 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)C[NH+]1CCCCC1 ZINC000420204718 381568013 /nfs/dbraw/zinc/56/80/13/381568013.db2.gz SRJMFLSYNQFSJN-ZIAGYGMSSA-N 2 0 326.441 -0.671 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000074254050 381605535 /nfs/dbraw/zinc/60/55/35/381605535.db2.gz QZUYSJJRXLKDQG-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP CN1CC[NH2+]C[C@H]1CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000420445393 381587289 /nfs/dbraw/zinc/58/72/89/381587289.db2.gz ADJCXTBTWNXIQL-AWEZNQCLSA-N 2 0 326.466 -0.070 20 0 EBADRP Cc1ccc(C(=O)NCC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000571909776 381626943 /nfs/dbraw/zinc/62/69/43/381626943.db2.gz CPRSPRYVGTVRDJ-QGZVFWFLSA-N 2 0 334.464 -0.077 20 0 EBADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1C[C@@H]3CC[C@H]([NH3+])[C@H]3C1)c(=O)n2C ZINC000351488959 381628494 /nfs/dbraw/zinc/62/84/94/381628494.db2.gz GUADYWAIKLPTFR-AVGNSLFASA-N 2 0 346.435 -0.507 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000572037885 381637552 /nfs/dbraw/zinc/63/75/52/381637552.db2.gz ABRWMCKUWVGUHG-JKSUJKDBSA-N 2 0 341.427 -0.237 20 0 EBADRP C[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)CCN1c1nccn2cnnc12 ZINC000580445907 381756180 /nfs/dbraw/zinc/75/61/80/381756180.db2.gz LRGRRPMRQRWURY-CQSZACIVSA-N 2 0 330.440 -0.460 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000331642103 381720568 /nfs/dbraw/zinc/72/05/68/381720568.db2.gz NGGYJJUXQFFETP-ZOBORPQBSA-N 2 0 338.452 -0.089 20 0 EBADRP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000332556789 381813705 /nfs/dbraw/zinc/81/37/05/381813705.db2.gz SFPJVCCFIZTMJY-UONOGXRCSA-N 2 0 338.452 -0.482 20 0 EBADRP O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000612986736 381883081 /nfs/dbraw/zinc/88/30/81/381883081.db2.gz LEDNKELMERDHSN-CABCVRRESA-N 2 0 349.479 -0.018 20 0 EBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000626845820 381886598 /nfs/dbraw/zinc/88/65/98/381886598.db2.gz GDAQYDGMPYXGHS-CQSZACIVSA-N 2 0 336.440 -0.160 20 0 EBADRP CC(C)[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC[NH2+]1 ZINC000643509730 381928479 /nfs/dbraw/zinc/92/84/79/381928479.db2.gz NSRFZJQIWNADPS-OAHLLOKOSA-N 3 0 341.500 -0.605 20 0 EBADRP C[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H]1C[NH3+] ZINC000643509651 381928594 /nfs/dbraw/zinc/92/85/94/381928594.db2.gz DNFTVSSWPXXFMV-HUUCEWRRSA-N 3 0 341.500 -0.619 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000643511205 381963656 /nfs/dbraw/zinc/96/36/56/381963656.db2.gz POQJURTWFTXGBZ-CQSZACIVSA-N 2 0 328.457 -0.521 20 0 EBADRP CN(CCC[NH+](C)C)CCNC(=O)CCn1cnc2c1ncnc2N ZINC000617763713 381971732 /nfs/dbraw/zinc/97/17/32/381971732.db2.gz YEXBFGFELHJWOP-UHFFFAOYSA-N 2 0 348.455 -0.202 20 0 EBADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)c2)CC1 ZINC000626912829 381938019 /nfs/dbraw/zinc/93/80/19/381938019.db2.gz RQKIWBVGPHNCMX-MRXNPFEDSA-N 2 0 345.447 -0.149 20 0 EBADRP C[C@@H](NC(=O)N1C[C@@H]2[C@H](C1)OCCN2C)[C@H](C)N1CCOCC1 ZINC000334061724 381981941 /nfs/dbraw/zinc/98/19/41/381981941.db2.gz YUWVJMXUUSCXHV-BARDWOONSA-N 2 0 326.441 -0.180 20 0 EBADRP C[C@H](O)CN1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)[C@H](C)C1 ZINC000430437135 382018266 /nfs/dbraw/zinc/01/82/66/382018266.db2.gz UMNYYWSJOVZTLF-ILXRZTDVSA-N 2 0 340.468 -0.690 20 0 EBADRP COC(=O)CN(C)C(=O)CC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000609672335 382038262 /nfs/dbraw/zinc/03/82/62/382038262.db2.gz AMJBFTXXABVWDR-HNNXBMFYSA-N 2 0 340.468 -0.280 20 0 EBADRP CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000629507947 382131061 /nfs/dbraw/zinc/13/10/61/382131061.db2.gz LIGCCXPQPHBCLW-ZDUSSCGKSA-N 2 0 332.470 -0.978 20 0 EBADRP CN(C)C(=O)CC[NH+]1CCC(NC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000629561504 382223459 /nfs/dbraw/zinc/22/34/59/382223459.db2.gz IDSOZRJIVALRDS-MRXNPFEDSA-N 2 0 326.485 -0.025 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000352870419 285246912 /nfs/dbraw/zinc/24/69/12/285246912.db2.gz LADBPWOERDMUOX-ILXRZTDVSA-N 2 0 340.468 -0.106 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)CC1 ZINC000330525773 155279665 /nfs/dbraw/zinc/27/96/65/155279665.db2.gz CMJXHXAERPBNGZ-GJZGRUSLSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CCSC1 ZINC000331406194 155367595 /nfs/dbraw/zinc/36/75/95/155367595.db2.gz BDCPMGAOOSPNMK-XEZPLFJOSA-N 2 0 340.493 -0.392 20 0 EBADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000331440868 155371586 /nfs/dbraw/zinc/37/15/86/155371586.db2.gz VQMZWMUJNZAUSV-OAHLLOKOSA-N 2 0 338.452 -0.432 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195519241 154165108 /nfs/dbraw/zinc/16/51/08/154165108.db2.gz JIKAGTUVFRWQPR-CQSZACIVSA-N 2 0 342.484 -0.083 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH2+]CCOC)CC1=O ZINC000236831634 154169121 /nfs/dbraw/zinc/16/91/21/154169121.db2.gz PQDQNGSANCBWBS-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC(OCCC[NH3+])CC2)CC1=O ZINC000237161594 154171518 /nfs/dbraw/zinc/17/15/18/154171518.db2.gz UDJVFXBBKYNMLG-CQSZACIVSA-N 2 0 340.468 -0.247 20 0 EBADRP OC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1C[NH+]1C[C@@H](O)C[C@H]1CO ZINC000248389408 154189018 /nfs/dbraw/zinc/18/90/18/154189018.db2.gz GJQHAADKPRYVDZ-MHORFTMASA-N 2 0 336.432 -0.458 20 0 EBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCCN2CCOCC2)C[C@H]1C ZINC000248588173 154189406 /nfs/dbraw/zinc/18/94/06/154189406.db2.gz GPKBFIFECLLILB-CABCVRRESA-N 2 0 328.457 -0.195 20 0 EBADRP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC[C@H](C[NH3+])O3)cn2)CC1 ZINC000261760180 154199312 /nfs/dbraw/zinc/19/93/12/154199312.db2.gz LRVBHDKGFJBMCM-CABCVRRESA-N 2 0 333.436 -0.044 20 0 EBADRP Cc1noc([C@H](C)N2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)n1 ZINC000261987555 154207451 /nfs/dbraw/zinc/20/74/51/154207451.db2.gz CNVBWJNGPZWMND-ZDUSSCGKSA-N 2 0 336.440 -0.121 20 0 EBADRP CS(=O)(=O)NC[C@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000262107881 154213370 /nfs/dbraw/zinc/21/33/70/154213370.db2.gz MMFWBEJKWIKJKV-CYBMUJFWSA-N 2 0 332.470 -0.931 20 0 EBADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)CNC(=O)C[NH3+])cc2)CC1 ZINC000262119535 154213584 /nfs/dbraw/zinc/21/35/84/154213584.db2.gz IJERHELVKWULJX-UHFFFAOYSA-N 2 0 347.463 -0.485 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000263236049 154256262 /nfs/dbraw/zinc/25/62/62/154256262.db2.gz JOQYCJYKLBAERZ-HIFRSBDPSA-N 2 0 326.441 -0.733 20 0 EBADRP NC(=O)N[C@@H]1CC[NH+](CCCCC[N@H+]2CC[C@H](NC(N)=O)C2)C1 ZINC000342873063 156066937 /nfs/dbraw/zinc/06/69/37/156066937.db2.gz FDMWLRXSEBNFQL-BETUJISGSA-N 2 0 326.445 -0.358 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000343174134 156106246 /nfs/dbraw/zinc/10/62/46/156106246.db2.gz GPSUVCGGICELCH-GJZGRUSLSA-N 2 0 342.484 -0.083 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000343337749 156126642 /nfs/dbraw/zinc/12/66/42/156126642.db2.gz KPJWCVHVAKWTMP-STQMWFEESA-N 2 0 339.440 -0.541 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)C1 ZINC000343909955 156188333 /nfs/dbraw/zinc/18/83/33/156188333.db2.gz LOAVSKWNWBLFGL-KKUMJFAQSA-N 2 0 338.452 -0.624 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)C1 ZINC000343928625 156189365 /nfs/dbraw/zinc/18/93/65/156189365.db2.gz WBJQXHSYBOWRNR-OAHLLOKOSA-N 2 0 340.468 -0.188 20 0 EBADRP CC[NH+]1CCN(CC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000346160520 156386947 /nfs/dbraw/zinc/38/69/47/156386947.db2.gz WUBSYZPHEJEMOR-INIZCTEOSA-N 2 0 325.501 -0.376 20 0 EBADRP C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CC[C@@H](C(=O)N[C@H](C)C[NH+](C)C)O1 ZINC000346229221 156390825 /nfs/dbraw/zinc/39/08/25/156390825.db2.gz RUIMGVCGOHATGB-MQYQWHSLSA-N 2 0 328.457 -0.333 20 0 EBADRP C[NH+](C)CCN1C[C@@H](C(=O)NCCC[NH+]2CCC(O)CC2)CC1=O ZINC000346238587 156391422 /nfs/dbraw/zinc/39/14/22/156391422.db2.gz NXBBBULQOKEFLT-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP O=C(NCCCN1CCOCC1)N1CCN(Cc2ncc[nH]2)CC1 ZINC000355531965 157008435 /nfs/dbraw/zinc/00/84/35/157008435.db2.gz XTNAKIXOJMDQLT-UHFFFAOYSA-N 2 0 336.440 -0.041 20 0 EBADRP C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)[C@@H]3C[C@H](O)C[NH2+]3)cc21 ZINC000357901488 157185029 /nfs/dbraw/zinc/18/50/29/157185029.db2.gz DHRDBOFUBKRFLR-RYUDHWBXSA-N 2 0 334.376 -0.183 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000358572000 157262703 /nfs/dbraw/zinc/26/27/03/157262703.db2.gz PTBDGTVYIILCRK-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000358578599 157264072 /nfs/dbraw/zinc/26/40/72/157264072.db2.gz SZDXKNAWZKIZRT-ZIAGYGMSSA-N 2 0 326.441 -0.767 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000358581702 157264365 /nfs/dbraw/zinc/26/43/65/157264365.db2.gz XTWXNYQMBOEJSS-KBPBESRZSA-N 2 0 328.457 -0.378 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000358578598 157264386 /nfs/dbraw/zinc/26/43/86/157264386.db2.gz SZDXKNAWZKIZRT-UONOGXRCSA-N 2 0 326.441 -0.767 20 0 EBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+](CCOC)C1 ZINC000359259033 157307580 /nfs/dbraw/zinc/30/75/80/157307580.db2.gz FXQCHRADGHFAAJ-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000360278976 157371710 /nfs/dbraw/zinc/37/17/10/157371710.db2.gz LVGZNFPARVLVIU-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP [NH2+]=C(NCCCN1CCOCC1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000360570973 157386403 /nfs/dbraw/zinc/38/64/03/157386403.db2.gz BWHKZVOEUSRSMY-CABCVRRESA-N 2 0 325.457 -0.314 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000418923747 418946111 /nfs/dbraw/zinc/94/61/11/418946111.db2.gz OCTJAZFMAFJRNV-RRFJBIMHSA-N 2 0 340.468 -0.155 20 0 EBADRP CC[NH+]1CCC(NC(=O)CN2CCC[C@H](S(=O)(=O)NC)C2)CC1 ZINC000533519121 418956191 /nfs/dbraw/zinc/95/61/91/418956191.db2.gz FGAFCFZULKEZEN-AWEZNQCLSA-N 2 0 346.497 -0.400 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CCSC1 ZINC000419583470 419018277 /nfs/dbraw/zinc/01/82/77/419018277.db2.gz LDZDOEAHIJTUQI-JMSVASOKSA-N 2 0 328.482 -0.074 20 0 EBADRP CN(C[C@H]1CCC[C@H]1O)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000518332510 419022932 /nfs/dbraw/zinc/02/29/32/419022932.db2.gz PDDMKYHXZWDINM-HUUCEWRRSA-N 2 0 342.484 -0.442 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000410502941 419035578 /nfs/dbraw/zinc/03/55/78/419035578.db2.gz KWVCZPCFYOHGOY-UHFFFAOYSA-N 2 0 342.484 -0.177 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000653180313 419045933 /nfs/dbraw/zinc/04/59/33/419045933.db2.gz IUUZRDANQCHKGL-CQSZACIVSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+]1CCN(c2ncccc2CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653124741 418990865 /nfs/dbraw/zinc/99/08/65/418990865.db2.gz GBEXOTIPOWMGSY-YJBOKZPZSA-N 2 0 345.447 -0.314 20 0 EBADRP C[NH+](C)CCN1CCN(C(=O)NC[C@H]2CCC[N@H+](C)C2)CC1=O ZINC000650858811 419082857 /nfs/dbraw/zinc/08/28/57/419082857.db2.gz HUROAHGWCLGDSV-CQSZACIVSA-N 2 0 325.457 -0.256 20 0 EBADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000653260639 419054479 /nfs/dbraw/zinc/05/44/79/419054479.db2.gz JBAQOSXPYOVKRT-QPSCCSFWSA-N 2 0 338.452 -0.258 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000644529414 419169158 /nfs/dbraw/zinc/16/91/58/419169158.db2.gz IGPCPVDQMUIKNS-NVXWUHKLSA-N 2 0 332.448 -0.010 20 0 EBADRP CCN1C[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1=O ZINC000651317631 419186776 /nfs/dbraw/zinc/18/67/76/419186776.db2.gz PAARQONYYSMTSS-AWEZNQCLSA-N 2 0 327.473 -0.010 20 0 EBADRP CCN(C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[C@H]1CC[N@H+](C)C1 ZINC000658358978 419246015 /nfs/dbraw/zinc/24/60/15/419246015.db2.gz BSFWLKXHKQHUAA-ZDUSSCGKSA-N 2 0 336.440 -0.064 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)C[C@H]1C[NH3+] ZINC000652681185 419250690 /nfs/dbraw/zinc/25/06/90/419250690.db2.gz DCVRJJDEGXFQQU-RJZRQDKASA-N 2 0 338.452 -0.593 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652684597 419253187 /nfs/dbraw/zinc/25/31/87/419253187.db2.gz SDASDEBVPRRZRC-CYBMUJFWSA-N 2 0 326.441 -0.541 20 0 EBADRP CC(C)(O)C[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000366042675 419254476 /nfs/dbraw/zinc/25/44/76/419254476.db2.gz MRNYZULCATWBQE-LSDHHAIUSA-N 2 0 340.468 -0.052 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000339320717 419258397 /nfs/dbraw/zinc/25/83/97/419258397.db2.gz ZJRRJQSBQCKXCV-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)C[C@H]2CC[NH2+]C2)c1 ZINC000647703205 419215902 /nfs/dbraw/zinc/21/59/02/419215902.db2.gz VRRKIDGTTKCLMP-LLVKDONJSA-N 2 0 326.422 -0.138 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531295674 419221820 /nfs/dbraw/zinc/22/18/20/419221820.db2.gz HMWQCEQQODNAIE-MJGOQNOKSA-N 2 0 346.475 -0.015 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)C[C@H]1C[NH3+] ZINC000652694149 419227367 /nfs/dbraw/zinc/22/73/67/419227367.db2.gz PSYQPDABVQJNAR-RRFJBIMHSA-N 2 0 340.468 -0.343 20 0 EBADRP O=C(NCCC1CC[NH2+]CC1)N(CCO)CCN1CCOCC1 ZINC000652317385 419233264 /nfs/dbraw/zinc/23/32/64/419233264.db2.gz PGSPNQRHXJPIGB-UHFFFAOYSA-N 2 0 328.457 -0.288 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000652624068 419241223 /nfs/dbraw/zinc/24/12/23/419241223.db2.gz YUCRQZXTBNFLML-JSGCOSHPSA-N 2 0 334.424 -0.406 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000652622180 419241947 /nfs/dbraw/zinc/24/19/47/419241947.db2.gz COWMMMLVSKOCKX-NWANDNLSSA-N 2 0 348.451 -0.031 20 0 EBADRP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N(C)CCC[NH3+] ZINC000647849089 419311482 /nfs/dbraw/zinc/31/14/82/419311482.db2.gz HIHSVXGYDUBNQP-LBPRGKRZSA-N 2 0 342.465 -0.338 20 0 EBADRP C[NH+](C)CCCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000531571304 419270327 /nfs/dbraw/zinc/27/03/27/419270327.db2.gz UNHQACJQSOLJRR-KBPBESRZSA-N 2 0 331.482 -0.095 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)C[C@H]1C[NH3+] ZINC000652729533 419324290 /nfs/dbraw/zinc/32/42/90/419324290.db2.gz JNVZJZIWMJYNTP-KBUPBQIOSA-N 2 0 340.468 -0.393 20 0 EBADRP CC[C@@H]1C[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC[C@H]1[NH3+] ZINC000647936936 419327639 /nfs/dbraw/zinc/32/76/39/419327639.db2.gz NQPRRUWTZUHTRL-VXGBXAGGSA-N 2 0 334.424 -0.507 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC)C2)C[C@H]1C[NH3+] ZINC000652730217 419327765 /nfs/dbraw/zinc/32/77/65/419327765.db2.gz MZSAACXOXAYDRO-RRFJBIMHSA-N 2 0 340.468 -0.391 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652730435 419328903 /nfs/dbraw/zinc/32/89/03/419328903.db2.gz ZLQTWMUQDBXFPA-KBUPBQIOSA-N 2 0 340.468 -0.250 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652730434 419329175 /nfs/dbraw/zinc/32/91/75/419329175.db2.gz ZLQTWMUQDBXFPA-GBJTYRQASA-N 2 0 340.468 -0.250 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)C[C@H]1C[NH3+] ZINC000652730617 419329213 /nfs/dbraw/zinc/32/92/13/419329213.db2.gz JJBQOVFRVFRIPG-GBJTYRQASA-N 2 0 338.452 -0.639 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652724205 419319773 /nfs/dbraw/zinc/31/97/73/419319773.db2.gz YSIDHXGHAXQVHM-UHFFFAOYSA-N 3 0 341.500 -0.556 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC(C)C)C[C@H]1C[NH3+] ZINC000652726710 419320218 /nfs/dbraw/zinc/32/02/18/419320218.db2.gz JVCFUIXNTBALBQ-HUUCEWRRSA-N 2 0 342.484 -0.145 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)C[C@H]1C[NH3+] ZINC000652731693 419331911 /nfs/dbraw/zinc/33/19/11/419331911.db2.gz RILUYIAOEVCQSL-QLFBSQMISA-N 2 0 340.468 -0.202 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C[C@H]1C[NH3+] ZINC000652736877 419351623 /nfs/dbraw/zinc/35/16/23/419351623.db2.gz RWPSRHMOOZRRNB-QLFBSQMISA-N 2 0 336.436 -0.719 20 0 EBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000653397151 419371357 /nfs/dbraw/zinc/37/13/57/419371357.db2.gz MUSHKUNWNHYFRX-OAHLLOKOSA-N 2 0 339.484 -0.707 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000519771909 419539659 /nfs/dbraw/zinc/53/96/59/419539659.db2.gz YMTLJRIDNURBGX-SJORKVTESA-N 2 0 347.463 -0.225 20 0 EBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000653427186 419552047 /nfs/dbraw/zinc/55/20/47/419552047.db2.gz GYMPQVSCIHIUOV-HUUCEWRRSA-N 2 0 342.484 -0.084 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000348014521 419497367 /nfs/dbraw/zinc/49/73/67/419497367.db2.gz MXGOGBZVHGZXED-UONOGXRCSA-N 2 0 328.457 -0.378 20 0 EBADRP C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)[C@@H]1CN(C)CCO1 ZINC000655709773 419621098 /nfs/dbraw/zinc/62/10/98/419621098.db2.gz JZJGSZJUCYDFPR-KKUMJFAQSA-N 2 0 328.457 -0.149 20 0 EBADRP C[C@@H]1CC(=O)NCC[NH+]1CCOCC[N@H+]1CCNC(=O)C[C@@H]1C ZINC000375845943 419739250 /nfs/dbraw/zinc/73/92/50/419739250.db2.gz HMQAOTQZSPBGNE-OKILXGFUSA-N 2 0 326.441 -0.576 20 0 EBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659717437 419787054 /nfs/dbraw/zinc/78/70/54/419787054.db2.gz HVZIXRDUFOZQHG-KGLIPLIRSA-N 2 0 326.441 -0.545 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)C1 ZINC000193618044 419761144 /nfs/dbraw/zinc/76/11/44/419761144.db2.gz XGXHYMDPJGOQKE-LZWOXQAQSA-N 2 0 340.468 -0.426 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CCO1 ZINC000659708924 419770710 /nfs/dbraw/zinc/77/07/10/419770710.db2.gz CBVQUBUIWJTKRJ-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)C[NH+]1CCN(C)CC1 ZINC000175774385 419772605 /nfs/dbraw/zinc/77/26/05/419772605.db2.gz UWEADQVIYLHPRK-HOTGVXAUSA-N 2 0 341.500 -0.158 20 0 EBADRP COCC[N@H+](C)C[C@H](O)CN1CCC([NH+]2CCC[C@@H]2C(N)=O)CC1 ZINC000653588191 419801576 /nfs/dbraw/zinc/80/15/76/419801576.db2.gz JBDWNXPJMGMNDS-JKSUJKDBSA-N 2 0 342.484 -0.660 20 0 EBADRP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659738878 419805086 /nfs/dbraw/zinc/80/50/86/419805086.db2.gz JWGGFGNRQCXZGD-HUUCEWRRSA-N 2 0 338.452 -0.304 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419899841 419815576 /nfs/dbraw/zinc/81/55/76/419815576.db2.gz ZIUPNXKAZABMQX-ZDUSSCGKSA-N 2 0 347.419 -0.393 20 0 EBADRP CCC[NH2+]CCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000419909136 419817466 /nfs/dbraw/zinc/81/74/66/419817466.db2.gz KTZBFNZEYBFYPR-UHFFFAOYSA-N 2 0 340.468 -0.327 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000420050615 419834684 /nfs/dbraw/zinc/83/46/84/419834684.db2.gz ZHCKPCGYENFSBH-AGIUHOORSA-N 2 0 326.441 -0.232 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000420049000 419835735 /nfs/dbraw/zinc/83/57/35/419835735.db2.gz XXLKQDYTWWKVGG-QWHCGFSZSA-N 2 0 344.456 -0.748 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CC[NH+](C(C)C)C2)C1 ZINC000422299615 419878822 /nfs/dbraw/zinc/87/88/22/419878822.db2.gz MLLQONTXYHQZPX-GJZGRUSLSA-N 2 0 340.468 -0.236 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422491110 419895302 /nfs/dbraw/zinc/89/53/02/419895302.db2.gz NNGHBFRBGHVQBJ-OAHLLOKOSA-N 2 0 342.484 -0.129 20 0 EBADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423172271 419923056 /nfs/dbraw/zinc/92/30/56/419923056.db2.gz SBPKMGGIBNOGKM-CQSZACIVSA-N 2 0 340.468 -0.247 20 0 EBADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000423207041 419923640 /nfs/dbraw/zinc/92/36/40/419923640.db2.gz GKTYUZJWBKGNBD-CQSZACIVSA-N 2 0 342.484 -0.001 20 0 EBADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000423304452 419933571 /nfs/dbraw/zinc/93/35/71/419933571.db2.gz YVJUNOCXIUHAEO-GJZGRUSLSA-N 2 0 335.404 -0.106 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)c1 ZINC000423258909 419925886 /nfs/dbraw/zinc/92/58/86/419925886.db2.gz NBSZCNCYTPQWOJ-CYBMUJFWSA-N 2 0 347.419 -0.312 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000423260889 419927173 /nfs/dbraw/zinc/92/71/73/419927173.db2.gz IPTJDRIRESMVQX-SOUVJXGZSA-N 2 0 340.468 -0.391 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000515158207 419978538 /nfs/dbraw/zinc/97/85/38/419978538.db2.gz KZTRTBZVAYZYFI-ZIAGYGMSSA-N 2 0 328.457 -0.378 20 0 EBADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NC2C[NH2+]C2)c1 ZINC000515342510 419980534 /nfs/dbraw/zinc/98/05/34/419980534.db2.gz SYYMPWFFPMECGB-UHFFFAOYSA-N 2 0 334.420 -0.327 20 0 EBADRP COC1(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC[NH2+]CC1 ZINC000167214726 420527092 /nfs/dbraw/zinc/52/70/92/420527092.db2.gz JUFNGKRBIDWLML-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H](C(=O)NC[C@H]1CSCCN1C(=O)[C@H](C)[NH+](C)C)[NH+](C)C ZINC000645956244 420530504 /nfs/dbraw/zinc/53/05/04/420530504.db2.gz XYTZXVAFGRFKGK-AVGNSLFASA-N 2 0 330.498 -0.053 20 0 EBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC2)C1 ZINC000646002950 420531012 /nfs/dbraw/zinc/53/10/12/420531012.db2.gz KXTZDQZWRYJFFJ-HUUCEWRRSA-N 2 0 337.468 -0.907 20 0 EBADRP C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[N@H+](C)C1CC1 ZINC000355419627 420590385 /nfs/dbraw/zinc/59/03/85/420590385.db2.gz CURZQOBMCBPKSN-LBPRGKRZSA-N 2 0 336.440 -0.018 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](N(C)Cc2cc(=O)[nH]c(N)n2)C1 ZINC000331250291 420630659 /nfs/dbraw/zinc/63/06/59/420630659.db2.gz SEYRIIXBUJNNMF-CYBMUJFWSA-N 2 0 336.440 0.137 20 0 EBADRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000496593684 420639572 /nfs/dbraw/zinc/63/95/72/420639572.db2.gz WHHWTLWBNPDJFH-CQSZACIVSA-N 2 0 340.472 -0.033 20 0 EBADRP Cn1c2ncn(CC[NH+]3CCC(CC[NH3+])CC3)c2c(=O)n(C)c1=O ZINC000516872571 420694062 /nfs/dbraw/zinc/69/40/62/420694062.db2.gz GALWUGMXJXASRV-UHFFFAOYSA-N 2 0 334.424 -0.506 20 0 EBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529379760 420764770 /nfs/dbraw/zinc/76/47/70/420764770.db2.gz SWPRFRRCIGNFHH-KBPBESRZSA-N 2 0 326.441 -0.131 20 0 EBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529379762 420765810 /nfs/dbraw/zinc/76/58/10/420765810.db2.gz SWPRFRRCIGNFHH-UONOGXRCSA-N 2 0 326.441 -0.131 20 0 EBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529391169 420767436 /nfs/dbraw/zinc/76/74/36/420767436.db2.gz YNXLSCGQCZKHFC-QWHCGFSZSA-N 2 0 327.429 -0.996 20 0 EBADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1=O ZINC000649224311 420792626 /nfs/dbraw/zinc/79/26/26/420792626.db2.gz GMYKULINHBEHFD-QLFBSQMISA-N 2 0 340.468 -0.378 20 0 EBADRP COC[C@@H]1C[C@@H](O)C[NH+]1CCOCC[N@H+]1C[C@H](O)C[C@H]1COC ZINC000649744182 420813848 /nfs/dbraw/zinc/81/38/48/420813848.db2.gz PVDYBCDQZBXOCG-CAOSSQGBSA-N 2 0 332.441 -0.834 20 0 EBADRP O=C(NCC[N@@H+]1CCCOCC1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000655971719 420861089 /nfs/dbraw/zinc/86/10/89/420861089.db2.gz DYVKLLGDKUJOSB-HOTGVXAUSA-N 2 0 340.468 -0.051 20 0 EBADRP CC[NH2+]CCCNC(=O)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656019731 420867095 /nfs/dbraw/zinc/86/70/95/420867095.db2.gz HXRQDNAXMFSEHC-MELADBBJSA-N 2 0 328.457 -0.284 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656020882 420867330 /nfs/dbraw/zinc/86/73/30/420867330.db2.gz VOSWZGZNXBBDKJ-NRWUCQMLSA-N 2 0 326.441 -0.546 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000656039858 420868112 /nfs/dbraw/zinc/86/81/12/420868112.db2.gz JKQFQISEVYFEKV-YIYPIFLZSA-N 2 0 326.441 -0.450 20 0 EBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000656102003 420880208 /nfs/dbraw/zinc/88/02/08/420880208.db2.gz AOXRCOJHZBSHSB-AWEZNQCLSA-N 2 0 339.484 -0.580 20 0 EBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656296100 420886042 /nfs/dbraw/zinc/88/60/42/420886042.db2.gz QBQFMPVBNUWHPW-SOUVJXGZSA-N 2 0 338.452 -0.746 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000658452087 420923384 /nfs/dbraw/zinc/92/33/84/420923384.db2.gz UDVWAUHDAHOLCQ-OAHLLOKOSA-N 2 0 342.484 -0.034 20 0 EBADRP O=C(CNC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)N1CC[NH2+]CC1 ZINC000659508525 421001956 /nfs/dbraw/zinc/00/19/56/421001956.db2.gz RKFYBLPUNWEROC-OAHLLOKOSA-N 2 0 337.468 -0.161 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000659508166 421002753 /nfs/dbraw/zinc/00/27/53/421002753.db2.gz NRCLFVQTHDGCAI-CQSZACIVSA-N 2 0 341.456 -0.830 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000659690358 421015664 /nfs/dbraw/zinc/01/56/64/421015664.db2.gz RVPXVOBBRRSOHA-CYBMUJFWSA-N 2 0 336.436 -0.033 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659700694 421017062 /nfs/dbraw/zinc/01/70/62/421017062.db2.gz RRKBZMYMBMFRRR-JHJVBQTASA-N 2 0 330.404 -0.889 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCC[NH2+]C2CC2)CCO1 ZINC000659711580 421018652 /nfs/dbraw/zinc/01/86/52/421018652.db2.gz AMXKLQCPHDVUTF-AWEZNQCLSA-N 2 0 326.441 -0.576 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000659718876 421021199 /nfs/dbraw/zinc/02/11/99/421021199.db2.gz RHMQUTDIVUVZIG-UONOGXRCSA-N 2 0 328.457 -0.345 20 0 EBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC[NH2+]1 ZINC000659725099 421022978 /nfs/dbraw/zinc/02/29/78/421022978.db2.gz ZWKCIYRKYNMMKG-QLFBSQMISA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659733030 421024121 /nfs/dbraw/zinc/02/41/21/421024121.db2.gz ADCXDDZRCGXZES-UHFFFAOYSA-N 3 0 327.473 -0.674 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000659752232 421029619 /nfs/dbraw/zinc/02/96/19/421029619.db2.gz YNVHXRHUOABXFA-CYBMUJFWSA-N 2 0 328.457 -0.330 20 0 EBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CCO[C@@H]2C[NH3+])c1 ZINC000662402823 421086227 /nfs/dbraw/zinc/08/62/27/421086227.db2.gz OMJPZNAQICQAIS-QWHCGFSZSA-N 2 0 342.421 -0.774 20 0 EBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000662404355 421086989 /nfs/dbraw/zinc/08/69/89/421086989.db2.gz GOCQVWUPZMRVNZ-MFKMUULPSA-N 2 0 336.358 -0.158 20 0 EBADRP CN(C)C(=O)N(C)[C@H]1CC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000663500227 421132673 /nfs/dbraw/zinc/13/26/73/421132673.db2.gz JBNQXFCOCBVRFB-KGLIPLIRSA-N 2 0 325.457 -0.129 20 0 EBADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)C3(O)C[NH2+]C3)c2)C1 ZINC000662717252 421096382 /nfs/dbraw/zinc/09/63/82/421096382.db2.gz MQTBQJTXOCRHCU-OAHLLOKOSA-N 2 0 346.431 -0.666 20 0 EBADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662756684 421099188 /nfs/dbraw/zinc/09/91/88/421099188.db2.gz JGMCISGHFKJHID-UHFFFAOYSA-N 2 0 348.447 -0.390 20 0 EBADRP C[NH+]1CCN(c2cc(CNC(=O)[C@@H]3CCO[C@H]3C[NH3+])ccn2)CC1 ZINC000662757287 421099656 /nfs/dbraw/zinc/09/96/56/421099656.db2.gz KZTBIVXACAOKDP-CABCVRRESA-N 2 0 333.436 -0.187 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2[NH2+]CCC2(C)C)cn1 ZINC000662744752 421100353 /nfs/dbraw/zinc/10/03/53/421100353.db2.gz HJUUVSTVDAHZPG-CQSZACIVSA-N 2 0 336.440 -0.113 20 0 EBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662833578 421105119 /nfs/dbraw/zinc/10/51/19/421105119.db2.gz SJUKXXYHMBCADV-HUUCEWRRSA-N 2 0 338.452 -0.432 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC[C@H]1F ZINC000662926020 421111114 /nfs/dbraw/zinc/11/11/14/421111114.db2.gz NTVOEQYKEUGWPG-BFHYXJOUSA-N 2 0 326.416 -0.029 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000662938275 421112799 /nfs/dbraw/zinc/11/27/99/421112799.db2.gz NDEPUVHQYASHBF-CQSZACIVSA-N 2 0 340.468 -0.247 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000662932849 421113213 /nfs/dbraw/zinc/11/32/13/421113213.db2.gz MVBFIRZPPUBSET-UHFFFAOYSA-N 2 0 340.468 -0.247 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CCO1 ZINC000662948726 421116666 /nfs/dbraw/zinc/11/66/66/421116666.db2.gz ZWYDUECUYSUCPP-GJZGRUSLSA-N 2 0 340.468 -0.105 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662972144 421119209 /nfs/dbraw/zinc/11/92/09/421119209.db2.gz IVRRNLDFMPXTOY-ZFWWWQNUSA-N 2 0 328.457 -0.345 20 0 EBADRP CC(C)[C@@H](CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[NH+]1CCN(C)CC1 ZINC000663560942 421133450 /nfs/dbraw/zinc/13/34/50/421133450.db2.gz OFOGRRGPLYCYGJ-PMPSAXMXSA-N 2 0 341.500 -0.425 20 0 EBADRP C[NH+](CCOCC[N@@H+](C)C[C@H]1COCCO1)C[C@@H]1COCCO1 ZINC000661612901 421071465 /nfs/dbraw/zinc/07/14/65/421071465.db2.gz OWKZQBARFVQHTF-IYBDPMFKSA-N 2 0 332.441 -0.303 20 0 EBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000662340413 421084659 /nfs/dbraw/zinc/08/46/59/421084659.db2.gz DNVSKQQYRNPQFP-KKUMJFAQSA-N 2 0 340.468 -0.155 20 0 EBADRP Cn1c(=O)cc(N(CCC[NH+](C)C)CCC[NH+](C)C)n(C)c1=O ZINC000663682302 421139433 /nfs/dbraw/zinc/13/94/33/421139433.db2.gz FPTXYBABAVYQGD-UHFFFAOYSA-N 2 0 325.457 -0.206 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)n1 ZINC000583939824 421191353 /nfs/dbraw/zinc/19/13/53/421191353.db2.gz DRVPVOZTOLFSBF-UHFFFAOYSA-N 2 0 336.440 -0.029 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)[C@@H](C)C[NH2+]1 ZINC000415573100 421207887 /nfs/dbraw/zinc/20/78/87/421207887.db2.gz VFVXZHZFGMPELR-RYUDHWBXSA-N 2 0 328.376 0.415 20 0 EBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423065645 264983353 /nfs/dbraw/zinc/98/33/53/264983353.db2.gz VEAJEFXOPWWVHS-CQSZACIVSA-N 2 0 328.457 -0.391 20 0 EBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423500109 265009156 /nfs/dbraw/zinc/00/91/56/265009156.db2.gz IGUKFUDGLARWJY-HNNXBMFYSA-N 2 0 339.484 -0.709 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000423642762 265024328 /nfs/dbraw/zinc/02/43/28/265024328.db2.gz IMIDULTVEIHNTL-CABCVRRESA-N 2 0 340.468 -0.105 20 0 EBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])C1 ZINC000423680757 265031828 /nfs/dbraw/zinc/03/18/28/265031828.db2.gz UUNLMYMKFPEZQG-QLFBSQMISA-N 2 0 340.468 -0.106 20 0 EBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000423722721 265037733 /nfs/dbraw/zinc/03/77/33/265037733.db2.gz PUTMRWXJXYDDEU-KGLIPLIRSA-N 2 0 339.484 -0.581 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)C[C@H]1[NH3+] ZINC000423744361 265040304 /nfs/dbraw/zinc/04/03/04/265040304.db2.gz MNQNJOMUVVPETB-ZIAGYGMSSA-N 2 0 327.473 -0.866 20 0 EBADRP O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000424179723 265050322 /nfs/dbraw/zinc/05/03/22/265050322.db2.gz TZPOBYZUWUBHCP-KGLIPLIRSA-N 2 0 332.452 -0.004 20 0 EBADRP O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000424155083 265050346 /nfs/dbraw/zinc/05/03/46/265050346.db2.gz NFHONHCFPQOJAT-GJZGRUSLSA-N 2 0 348.451 -0.003 20 0 EBADRP Cn1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)C2=O)n1 ZINC000430612597 265150250 /nfs/dbraw/zinc/15/02/50/265150250.db2.gz RYXMVQOKNQMGOP-KBPBESRZSA-N 2 0 348.451 -0.298 20 0 EBADRP Cn1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)C2=O)n1 ZINC000430612599 265150412 /nfs/dbraw/zinc/15/04/12/265150412.db2.gz RYXMVQOKNQMGOP-KGLIPLIRSA-N 2 0 348.451 -0.298 20 0 EBADRP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430624084 265150679 /nfs/dbraw/zinc/15/06/79/265150679.db2.gz HZEYTFURLHLYTP-KGLIPLIRSA-N 2 0 328.457 -0.295 20 0 EBADRP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430618467 265150803 /nfs/dbraw/zinc/15/08/03/265150803.db2.gz UMLIGLVGBUVRHS-MNOVXSKESA-N 2 0 325.413 -0.850 20 0 EBADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)NC1CC1 ZINC000430671804 265152400 /nfs/dbraw/zinc/15/24/00/265152400.db2.gz XZLINKGXIRZRDI-LBPRGKRZSA-N 2 0 337.424 -0.882 20 0 EBADRP C[NH2+]C[C@@H]1CCC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000430642729 265152707 /nfs/dbraw/zinc/15/27/07/265152707.db2.gz KSBDPPSDTYLAHF-ZDUSSCGKSA-N 2 0 348.451 -0.245 20 0 EBADRP CC[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)C(=O)N1CCOCC1 ZINC000433161827 265186160 /nfs/dbraw/zinc/18/61/60/265186160.db2.gz YMWNAQAQSBXXRE-HNNXBMFYSA-N 2 0 340.468 -0.057 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)cn1 ZINC000436318436 265239526 /nfs/dbraw/zinc/23/95/26/265239526.db2.gz XUJTVOOXGGTOPK-CXAGYDPISA-N 2 0 348.451 -0.111 20 0 EBADRP CC[C@H](CO)[NH+]1CCN(C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000441515645 265308263 /nfs/dbraw/zinc/30/82/63/265308263.db2.gz NBVJOAUZWKVMDX-VQHPVUNQSA-N 2 0 329.485 -0.155 20 0 EBADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)NC2C[NH2+]C2)cc1 ZINC000519691937 265642573 /nfs/dbraw/zinc/64/25/73/265642573.db2.gz PIRSLCNLHRDSMR-UHFFFAOYSA-N 2 0 334.420 -0.626 20 0 EBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000516916786 272888523 /nfs/dbraw/zinc/88/85/23/272888523.db2.gz SUJLSVYJLHVQJB-CABCVRRESA-N 2 0 337.468 -0.066 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CC1 ZINC000188756464 279087640 /nfs/dbraw/zinc/08/76/40/279087640.db2.gz STWPFHMPDAGMAN-UHFFFAOYSA-N 2 0 348.451 -0.318 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)N1CCOCC1 ZINC000078516476 289114306 /nfs/dbraw/zinc/11/43/06/289114306.db2.gz VXODGBKRQPJEBD-UHFFFAOYSA-N 2 0 336.502 -0.231 20 0 EBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)C2)CC1 ZINC000372234733 289221346 /nfs/dbraw/zinc/22/13/46/289221346.db2.gz XQESNQXTNAXMQL-WMLDXEAASA-N 2 0 341.500 -0.233 20 0 EBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000668511962 545706800 /nfs/dbraw/zinc/70/68/00/545706800.db2.gz LHTGWYJLYWCTGK-OAHLLOKOSA-N 2 0 340.468 -0.185 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000668891107 545782811 /nfs/dbraw/zinc/78/28/11/545782811.db2.gz JLYQCLRRZPWKDF-UONOGXRCSA-N 2 0 339.484 -0.663 20 0 EBADRP C[C@H]1C[C@@H](NC(=O)NCCC(=O)N2CCN(C)CC2)CC[N@@H+]1C ZINC000332889866 545848932 /nfs/dbraw/zinc/84/89/32/545848932.db2.gz DDVBZJWSUYZPCD-KBPBESRZSA-N 2 0 325.457 -0.068 20 0 EBADRP C[C@@H]1[NH2+]CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)[C@H]1C ZINC000669486510 545879217 /nfs/dbraw/zinc/87/92/17/545879217.db2.gz SHFBMXHUIWULJL-JYJNAYRXSA-N 2 0 339.484 -0.215 20 0 EBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000342983257 545921550 /nfs/dbraw/zinc/92/15/50/545921550.db2.gz APIGQLXEKFQWFX-UONOGXRCSA-N 2 0 327.473 -0.805 20 0 EBADRP COC1CC[NH+](CCNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000674325517 546160880 /nfs/dbraw/zinc/16/08/80/546160880.db2.gz UYSBPHCPLYDNNZ-CQSZACIVSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000676095457 546195379 /nfs/dbraw/zinc/19/53/79/546195379.db2.gz IORAFSPMQBHMKI-GFCCVEGCSA-N 2 0 334.424 -0.264 20 0 EBADRP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)CC1 ZINC000677875849 546238803 /nfs/dbraw/zinc/23/88/03/546238803.db2.gz WAIFHBXVBJMINU-JKSUJKDBSA-N 2 0 349.479 -0.683 20 0 EBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3C[NH+]4CCN3CCC4)C2)CC1 ZINC000677887622 546239546 /nfs/dbraw/zinc/23/95/46/546239546.db2.gz DOSUESPQUXTIND-DOTOQJQBSA-N 2 0 335.496 -0.339 20 0 EBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)CC1=O ZINC000684174275 546366439 /nfs/dbraw/zinc/36/64/39/546366439.db2.gz GKJWDOQSNTUNJD-RHSMWYFYSA-N 2 0 340.468 -0.688 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891480355 582556932 /nfs/dbraw/zinc/55/69/32/582556932.db2.gz BCHSFSBGNTUDJS-MGPQQGTHSA-N 2 0 325.457 -0.034 20 0 EBADRP O=C(N[C@@H]1CCC[NH2+]CC1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892083600 582567259 /nfs/dbraw/zinc/56/72/59/582567259.db2.gz WDTFRTLCKBBZER-RQJABVFESA-N 2 0 337.424 -0.295 20 0 EBADRP C[C@@H]1C[C@@H](NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC[NH2+]1 ZINC000892098168 582567281 /nfs/dbraw/zinc/56/72/81/582567281.db2.gz YAROTOSJBCJCPI-HTOAHKCRSA-N 2 0 337.424 -0.297 20 0 EBADRP [NH3+]CC1(CCNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000892221064 582571743 /nfs/dbraw/zinc/57/17/43/582571743.db2.gz LWCBWKOHYQDFNT-XQQFMLRXSA-N 2 0 337.424 -0.308 20 0 EBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892761075 582587027 /nfs/dbraw/zinc/58/70/27/582587027.db2.gz UFVVUCOLPNRELJ-ZIAGYGMSSA-N 2 0 326.441 -0.489 20 0 EBADRP CN(CC[NH+](C)C)c1nc(NC2CC2)nc(N(C)CC[NH+](C)C)n1 ZINC000892776213 582587448 /nfs/dbraw/zinc/58/74/48/582587448.db2.gz DNSDXBKBTNZHCK-UHFFFAOYSA-N 2 0 336.488 -0.137 20 0 EBADRP C[NH+](C)CCCNC(=O)c1cnc(C(=O)NCCC[NH+](C)C)cn1 ZINC000899920897 582757796 /nfs/dbraw/zinc/75/77/96/582757796.db2.gz UQYUEHKEGPNLMF-UHFFFAOYSA-N 2 0 336.440 -0.160 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900689123 582778740 /nfs/dbraw/zinc/77/87/40/582778740.db2.gz PXAOAONNWWROHK-DOTOQJQBSA-N 2 0 326.485 -0.025 20 0 EBADRP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000901107535 582792761 /nfs/dbraw/zinc/79/27/61/582792761.db2.gz YHVBZXKIJQKOBM-CPUCHLNUSA-N 2 0 338.452 -0.794 20 0 EBADRP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903491955 582809243 /nfs/dbraw/zinc/80/92/43/582809243.db2.gz HNHQWTDAHQSTAQ-JFILPPLUSA-N 2 0 327.425 -0.260 20 0 EBADRP CN(C)c1nc(N)nc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)n1 ZINC000903507328 582810430 /nfs/dbraw/zinc/81/04/30/582810430.db2.gz WMBOKPDGNBTNON-OKILXGFUSA-N 2 0 346.483 -0.080 20 0 EBADRP CCOCCN1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000903719677 582814425 /nfs/dbraw/zinc/81/44/25/582814425.db2.gz SJDHUEKJYAEWFR-CYBMUJFWSA-N 2 0 326.441 -0.637 20 0 EBADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)cnn1C ZINC000903933938 582823815 /nfs/dbraw/zinc/82/38/15/582823815.db2.gz BKRAQCGRXBIHMU-JLZZUVOBSA-N 2 0 333.436 -0.169 20 0 EBADRP CS(=O)(=O)N1CCC[C@@H]1C[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903922975 582823843 /nfs/dbraw/zinc/82/38/43/582823843.db2.gz IPZBQCDSMSNMHC-OLZOCXBDSA-N 2 0 342.469 -0.284 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000746423864 583106833 /nfs/dbraw/zinc/10/68/33/583106833.db2.gz XRUCNHUFVXVLIM-CYBMUJFWSA-N 2 0 336.440 -0.016 20 0 EBADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000774431149 583384297 /nfs/dbraw/zinc/38/42/97/583384297.db2.gz KDBAWUNLFPTNTC-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000775036483 583394339 /nfs/dbraw/zinc/39/43/39/583394339.db2.gz UOEGSOUWQSEDQS-LSDHHAIUSA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@H](Cn1ccnc1)NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000789751702 583538653 /nfs/dbraw/zinc/53/86/53/583538653.db2.gz DRMVECVAYAOSGS-MCIONIFRSA-N 2 0 335.408 -0.633 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1)C1CC1 ZINC000804055044 583638622 /nfs/dbraw/zinc/63/86/22/583638622.db2.gz CVRXTPSAGQRTFI-GJZGRUSLSA-N 2 0 338.452 -0.434 20 0 EBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804060805 583641344 /nfs/dbraw/zinc/64/13/44/583641344.db2.gz PYQUDSJSUODBTM-LSDHHAIUSA-N 2 0 340.468 -0.236 20 0 EBADRP CN1C(=S)N=NC1CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000820259511 583769524 /nfs/dbraw/zinc/76/95/24/583769524.db2.gz DIPKUQLVTSMFGY-UHFFFAOYSA-N 2 0 343.501 -0.219 20 0 EBADRP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000841145832 584051895 /nfs/dbraw/zinc/05/18/95/584051895.db2.gz WADDOSAZMLWSQA-UHFFFAOYSA-N 2 0 331.420 -0.191 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[NH+]1CCCCC1 ZINC000842016026 584056354 /nfs/dbraw/zinc/05/63/54/584056354.db2.gz QSSZRAWDGWWZJA-UONOGXRCSA-N 2 0 325.457 -0.922 20 0 EBADRP [NH3+][C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000842164770 584058535 /nfs/dbraw/zinc/05/85/35/584058535.db2.gz OTVWGKQLVNALLY-BZUAXINKSA-N 2 0 346.431 -0.218 20 0 EBADRP CCCN(C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CC[NH2+]C1 ZINC000842165367 584058977 /nfs/dbraw/zinc/05/89/77/584058977.db2.gz VHRSCBZLOFXWMT-RRFJBIMHSA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)[C@H]1C[NH3+] ZINC000842165385 584059097 /nfs/dbraw/zinc/05/90/97/584059097.db2.gz VVJAYQZVQOZAFY-TUVASFSCSA-N 2 0 338.452 -0.448 20 0 EBADRP [NH3+]C[C@@H]1CC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843348197 584076551 /nfs/dbraw/zinc/07/65/51/584076551.db2.gz CODOLWWZEPJZFN-LBPRGKRZSA-N 2 0 337.424 -0.057 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844181493 584090204 /nfs/dbraw/zinc/09/02/04/584090204.db2.gz SHZFORZLUOBEGY-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CCO[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C[C@H]1C[NH3+] ZINC000846143001 584122375 /nfs/dbraw/zinc/12/23/75/584122375.db2.gz CBBWIGOVWHADDS-LXTVHRRPSA-N 2 0 326.441 -0.145 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCCCC1 ZINC000848931944 584163818 /nfs/dbraw/zinc/16/38/18/584163818.db2.gz JHHDJJJFSWLOPF-SOUVJXGZSA-N 2 0 338.452 -0.746 20 0 EBADRP CC[N@H+](CCO)CCNC(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849577269 584171945 /nfs/dbraw/zinc/17/19/45/584171945.db2.gz HBGQDXURVAQBIU-CVEARBPZSA-N 2 0 337.468 -0.114 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000851684936 584198431 /nfs/dbraw/zinc/19/84/31/584198431.db2.gz NLJXLHMAZJCKGK-GXTWGEPZSA-N 2 0 326.441 -0.530 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852865313 584217882 /nfs/dbraw/zinc/21/78/82/584217882.db2.gz YWTKAWVPPFTRBR-WCQYABFASA-N 2 0 325.413 -0.851 20 0 EBADRP [NH3+]C[C@H]1CC(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)=NO1 ZINC000852902377 584219648 /nfs/dbraw/zinc/21/96/48/584219648.db2.gz DRDBEWGQUIYLBV-LSDHHAIUSA-N 2 0 332.404 -0.027 20 0 EBADRP [NH3+]CCOc1cccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000861529673 584330523 /nfs/dbraw/zinc/33/05/23/584330523.db2.gz LNMJLRLVJDCNHS-CYBMUJFWSA-N 2 0 336.392 -0.855 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000861773276 584338373 /nfs/dbraw/zinc/33/83/73/584338373.db2.gz KNDHMKHTMUIENZ-ZIAGYGMSSA-N 2 0 327.473 -0.818 20 0 EBADRP CNS(=O)(=O)CCC[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550027 584372865 /nfs/dbraw/zinc/37/28/65/584372865.db2.gz MHAMXYZNVADIDO-OLZOCXBDSA-N 2 0 346.453 -0.817 20 0 EBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000863751096 584376362 /nfs/dbraw/zinc/37/63/62/584376362.db2.gz FEMYMUHDGCRXKY-CYBMUJFWSA-N 2 0 326.441 -0.637 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC2)c1 ZINC000863755222 584376630 /nfs/dbraw/zinc/37/66/30/584376630.db2.gz LYBMLJFAUBHUAM-LBPRGKRZSA-N 2 0 335.408 -0.456 20 0 EBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000863757627 584376955 /nfs/dbraw/zinc/37/69/55/584376955.db2.gz OTYANDXWTVAHBN-CYBMUJFWSA-N 2 0 326.441 -0.637 20 0 EBADRP C[NH+](C)CCn1nnnc1SCC(=O)NC1CC[NH+](C)CC1 ZINC000865353509 584394592 /nfs/dbraw/zinc/39/45/92/584394592.db2.gz OQOGNKBOUVDLES-UHFFFAOYSA-N 2 0 327.458 -0.463 20 0 EBADRP CC(C)(C)n1nnc(CC[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)n1 ZINC000866711370 584404106 /nfs/dbraw/zinc/40/41/06/584404106.db2.gz JHCVLJINOHPHAA-UPJWGTAASA-N 2 0 349.439 -0.163 20 0 EBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000866751751 584405353 /nfs/dbraw/zinc/40/53/53/584405353.db2.gz YDNYQKLQOOUWNI-HUUCEWRRSA-N 2 0 347.481 -0.462 20 0 EBADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000866774249 584406367 /nfs/dbraw/zinc/40/63/67/584406367.db2.gz JTHLQZFVGPQJBB-BARDWOONSA-N 2 0 347.481 -0.335 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867442567 584408160 /nfs/dbraw/zinc/40/81/60/584408160.db2.gz IUXYLSPJRINMSZ-HUUCEWRRSA-N 2 0 340.468 -0.424 20 0 EBADRP CC(=O)OCCCS(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867589772 584411847 /nfs/dbraw/zinc/41/18/47/584411847.db2.gz JOVNXSJSWQYQOT-HUUCEWRRSA-N 2 0 349.497 -0.059 20 0 EBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000868387103 584427031 /nfs/dbraw/zinc/42/70/31/584427031.db2.gz PCBOJMNRNOSNAP-RBSFLKMASA-N 3 0 339.484 -0.996 20 0 EBADRP C[NH+]1CC[C@H]2CN(C(=O)[C@H](F)C(=O)N3C[C@H]4CC[N@@H+](C)[C@H]4C3)C[C@H]21 ZINC000868716670 584433186 /nfs/dbraw/zinc/43/31/86/584433186.db2.gz GTAPRHMFHDGKBI-AZOBVAEKSA-N 2 0 338.427 -0.351 20 0 EBADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870998828 584450856 /nfs/dbraw/zinc/45/08/56/584450856.db2.gz HIVNYFBVXLBNPZ-JJXSEGSLSA-N 2 0 344.415 -0.050 20 0 EBADRP COC[C@]1(C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC[NH2+]C1 ZINC000870997649 584450868 /nfs/dbraw/zinc/45/08/68/584450868.db2.gz PPSUGTKXNNTNEG-ZWUHOBOKSA-N 2 0 338.408 -0.994 20 0 EBADRP O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870998567 584450876 /nfs/dbraw/zinc/45/08/76/584450876.db2.gz ZICGQBSXABEWHU-QMIVOQANSA-N 2 0 334.420 -0.090 20 0 EBADRP COC[C@]1(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC[NH2+]C1 ZINC000870997646 584450880 /nfs/dbraw/zinc/45/08/80/584450880.db2.gz PPSUGTKXNNTNEG-FOCJUVANSA-N 2 0 338.408 -0.994 20 0 EBADRP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872303494 584461523 /nfs/dbraw/zinc/46/15/23/584461523.db2.gz INKHJBFZJUDBRB-YFKTTZPYSA-N 2 0 344.362 -0.375 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)n1 ZINC000873106577 584473186 /nfs/dbraw/zinc/47/31/86/584473186.db2.gz ASRSDCGYCBDHRI-BLLLJJGKSA-N 2 0 334.424 -0.549 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)n1 ZINC000874171077 584479778 /nfs/dbraw/zinc/47/97/78/584479778.db2.gz BCXWHLQCDGOVRT-KBPBESRZSA-N 2 0 348.451 -0.064 20 0 EBADRP Cn1cccc1CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875076038 584488999 /nfs/dbraw/zinc/48/89/99/584488999.db2.gz DLSRSMYWGAHZCM-HUUCEWRRSA-N 2 0 349.479 -0.161 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2COCCO2)C[C@H]1C[NH+](C)C ZINC000875129510 584490088 /nfs/dbraw/zinc/49/00/88/584490088.db2.gz QMCIUKLFYAQWEI-KFWWJZLASA-N 2 0 328.457 -0.217 20 0 EBADRP CON(C)C(=O)CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875676389 584504172 /nfs/dbraw/zinc/50/41/72/584504172.db2.gz GPFSAWVQXCLXFB-CHWSQXEVSA-N 2 0 329.445 -0.613 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)C[C@H]1C[NH+](C)C ZINC000875695728 584504513 /nfs/dbraw/zinc/50/45/13/584504513.db2.gz WTFCDXIYWAOUEG-SYQHCUMBSA-N 2 0 325.457 -0.369 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC[C@@]2(O)CCOC2)C[C@H]1C[NH+](C)C ZINC000875695604 584504561 /nfs/dbraw/zinc/50/45/61/584504561.db2.gz RWIFCWMDWNDBJT-BFYDXBDKSA-N 2 0 342.484 -0.091 20 0 EBADRP CCN(OC)C(=O)CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875686837 584504571 /nfs/dbraw/zinc/50/45/71/584504571.db2.gz DHRSTVMIYWFCEM-ZIAGYGMSSA-N 2 0 343.472 -0.223 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876748843 584521987 /nfs/dbraw/zinc/52/19/87/584521987.db2.gz HYBJRDJNAHRHPQ-RDBSUJKOSA-N 2 0 328.432 -0.007 20 0 EBADRP COC[C@@]1(C(=O)N2CC[NH+](CC3CCOCC3)CC2)C[NH2+]CCO1 ZINC000876764809 584522832 /nfs/dbraw/zinc/52/28/32/584522832.db2.gz RUAIAONNVFDHEC-QGZVFWFLSA-N 2 0 341.452 -0.438 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)cn1 ZINC000876771422 584523187 /nfs/dbraw/zinc/52/31/87/584523187.db2.gz RTFSTJVWYYUDMS-BXUZGUMPSA-N 2 0 340.403 -0.553 20 0 EBADRP COC[C@@]1(C(=O)N2CC[NH+](C3CCOCC3)CC2)C[NH2+]CCO1 ZINC000876771785 584523206 /nfs/dbraw/zinc/52/32/06/584523206.db2.gz YROPTQFJPACZRB-MRXNPFEDSA-N 2 0 327.425 -0.685 20 0 EBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000876769580 584523234 /nfs/dbraw/zinc/52/32/34/584523234.db2.gz UMXKZRHHWHBYHL-WLJXVMBLSA-N 2 0 336.480 -0.079 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)cn1 ZINC000876771423 584523315 /nfs/dbraw/zinc/52/33/15/584523315.db2.gz RTFSTJVWYYUDMS-FZMZJTMJSA-N 2 0 340.403 -0.553 20 0 EBADRP COC[C@]1(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)C[NH2+]CCO1 ZINC000876773493 584523341 /nfs/dbraw/zinc/52/33/41/584523341.db2.gz SIQUEQCDWPONCW-ZBFHGGJFSA-N 2 0 327.425 -0.828 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@]2(COC)C[NH2+]CCO2)CC1 ZINC000876782778 584523571 /nfs/dbraw/zinc/52/35/71/584523571.db2.gz USBCZWINCQRBRJ-WBVHZDCISA-N 2 0 342.484 -0.619 20 0 EBADRP COC[C@@]1(C(=O)NC2CC[NH+](CCOC(C)C)CC2)C[NH2+]CCO1 ZINC000876776546 584523729 /nfs/dbraw/zinc/52/37/29/584523729.db2.gz DRSVTJYKPYZCCQ-QGZVFWFLSA-N 2 0 343.468 -0.003 20 0 EBADRP C[NH+](C)C[C@H](N)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000876922100 584526943 /nfs/dbraw/zinc/52/69/43/584526943.db2.gz QQPNJGWYVVXLFM-INIZCTEOSA-N 3 0 333.480 -0.015 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)CO[C@H]2CCC[NH2+]C2)C[C@H]1C[NH+](C)C ZINC000877143206 584529105 /nfs/dbraw/zinc/52/91/05/584529105.db2.gz HWMGTHFNDGHTLW-OAGGEKHMSA-N 3 0 326.485 -0.047 20 0 EBADRP COC[C@]1(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000877352881 584532184 /nfs/dbraw/zinc/53/21/84/584532184.db2.gz LLOOMKDCXQRVOK-NHCYSSNCSA-N 2 0 325.331 -0.413 20 0 EBADRP O[C@@H]1CC[NH+](CC(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)C2CCCC2)C[C@@H]1O ZINC000879608429 584555079 /nfs/dbraw/zinc/55/50/79/584555079.db2.gz CCDIQYAYJMJEHT-BDXSIMOUSA-N 2 0 342.480 -0.352 20 0 EBADRP c1nnnn1CC[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000883437660 584601311 /nfs/dbraw/zinc/60/13/11/584601311.db2.gz XTSPBXWUMZCDAB-CYBMUJFWSA-N 2 0 331.428 -0.315 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CCN1c1cc[nH+]cc1 ZINC000883640307 584604023 /nfs/dbraw/zinc/60/40/23/584604023.db2.gz LUECEFGWVJFGMR-ZFWWWQNUSA-N 2 0 347.419 -0.695 20 0 EBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000884516424 584625269 /nfs/dbraw/zinc/62/52/69/584625269.db2.gz KHXAATNYCUKQGC-CHWSQXEVSA-N 2 0 325.457 -0.923 20 0 EBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884555504 584626916 /nfs/dbraw/zinc/62/69/16/584626916.db2.gz SMZGEFVUFLMWMR-MDZLAQPJSA-N 2 0 344.406 -0.054 20 0 EBADRP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000884560125 584627124 /nfs/dbraw/zinc/62/71/24/584627124.db2.gz NZUKSEVICJLQIW-ILXRZTDVSA-N 2 0 338.452 -0.304 20 0 EBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NC[C@H]1C[N@@H+]3CCC[C@H]3CO1)C2 ZINC000884560036 584627173 /nfs/dbraw/zinc/62/71/73/584627173.db2.gz LRQYFOWKQCYCJA-AYMQEEERSA-N 2 0 336.436 -0.966 20 0 EBADRP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000884560126 584627212 /nfs/dbraw/zinc/62/72/12/584627212.db2.gz NZUKSEVICJLQIW-KFWWJZLASA-N 2 0 338.452 -0.304 20 0 EBADRP CN(CCCCCC[NH3+])C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000884560523 584627621 /nfs/dbraw/zinc/62/76/21/584627621.db2.gz ZMCLOJZXMFQZIW-LSDHHAIUSA-N 2 0 340.468 -0.057 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884587464 584629007 /nfs/dbraw/zinc/62/90/07/584629007.db2.gz JJVIQIAULSTBMT-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000884597684 584629093 /nfs/dbraw/zinc/62/90/93/584629093.db2.gz GZFXZAIWVYJWBG-OAHLLOKOSA-N 2 0 339.484 -0.530 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CCSC1 ZINC000884612098 584629647 /nfs/dbraw/zinc/62/96/47/584629647.db2.gz CUMTYXNDADRTTH-MAZHCROVSA-N 2 0 340.493 -0.392 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000884604078 584629764 /nfs/dbraw/zinc/62/97/64/584629764.db2.gz ZLUUPTCDYHTBJZ-MGPQQGTHSA-N 2 0 326.441 -0.733 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)[N@H+](C)C1CC1 ZINC000884617880 584629846 /nfs/dbraw/zinc/62/98/46/584629846.db2.gz UIYSGONLRIIOBI-QWRGUYRKSA-N 2 0 332.395 -0.054 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884642961 584631458 /nfs/dbraw/zinc/63/14/58/584631458.db2.gz UEAHCLMUWTXNGN-KBPBESRZSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884662484 584632301 /nfs/dbraw/zinc/63/23/01/584632301.db2.gz QZNCHNSXVKRIBC-UHFFFAOYSA-N 2 0 348.447 -0.357 20 0 EBADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000884688219 584634301 /nfs/dbraw/zinc/63/43/01/584634301.db2.gz WDZOYWKGIUGGMI-KGLIPLIRSA-N 2 0 331.420 -0.013 20 0 EBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000884703938 584635077 /nfs/dbraw/zinc/63/50/77/584635077.db2.gz PSCWMVYNEMHOHB-BFHYXJOUSA-N 3 0 327.473 -0.962 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000884721584 584635887 /nfs/dbraw/zinc/63/58/87/584635887.db2.gz OMNHOEZYXODMQT-CQSZACIVSA-N 2 0 349.435 -0.529 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000884811215 584638338 /nfs/dbraw/zinc/63/83/38/584638338.db2.gz BCMOGTATKCTVKN-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884923267 584640721 /nfs/dbraw/zinc/64/07/21/584640721.db2.gz LLGRGUFOKWJYDX-SHTZXODSSA-N 3 0 341.500 -0.428 20 0 EBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885138155 584644040 /nfs/dbraw/zinc/64/40/40/584644040.db2.gz QZDPUGGSHWUHGF-KBPBESRZSA-N 2 0 338.452 -0.528 20 0 EBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000885291685 584647363 /nfs/dbraw/zinc/64/73/63/584647363.db2.gz NOYCUVCPLHCNPA-RYUDHWBXSA-N 2 0 332.395 -0.100 20 0 EBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885292525 584647416 /nfs/dbraw/zinc/64/74/16/584647416.db2.gz WEVNPITWAQVQRI-NWDGAFQWSA-N 2 0 332.395 -0.100 20 0 EBADRP O=C(NCC[NH+]1CCC1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000890138444 584692706 /nfs/dbraw/zinc/69/27/06/584692706.db2.gz ZIQOENXQLHTLKL-INIZCTEOSA-N 2 0 339.484 -0.212 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000423263836 650009618 /nfs/dbraw/zinc/00/96/18/650009618.db2.gz PCYZJSTYXQTDAV-MRXNPFEDSA-N 2 0 326.441 -0.623 20 0 EBADRP C[NH+](C)[C@H](CNC(=O)C[NH+]1C[C@@H](CO)[C@H](CO)C1)c1ccccc1 ZINC000625706799 650024019 /nfs/dbraw/zinc/02/40/19/650024019.db2.gz DCKAYZMNXKLWJE-YESZJQIVSA-N 2 0 335.448 -0.062 20 0 EBADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000665762802 650032963 /nfs/dbraw/zinc/03/29/63/650032963.db2.gz QNHATMAZWBNVHF-KKUMJFAQSA-N 2 0 329.489 -0.425 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000904962568 650052367 /nfs/dbraw/zinc/05/23/67/650052367.db2.gz XNHIKOLSQAHWNM-XJKSGUPXSA-N 2 0 326.441 -0.909 20 0 EBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)C[C@]2(C)C1 ZINC000904960512 650051707 /nfs/dbraw/zinc/05/17/07/650051707.db2.gz YFKIOJMMQUCTQW-RNJTYBCJSA-N 2 0 334.464 -0.146 20 0 EBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000904968487 650053030 /nfs/dbraw/zinc/05/30/30/650053030.db2.gz AXGLCHZRFXDHIW-UHFFFAOYSA-N 2 0 326.441 -0.493 20 0 EBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000904968983 650053036 /nfs/dbraw/zinc/05/30/36/650053036.db2.gz GQJWDVWXAVSGQR-CQSZACIVSA-N 2 0 340.468 -0.247 20 0 EBADRP CN(C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)C1(C[NH3+])CCOCC1 ZINC000904979330 650053974 /nfs/dbraw/zinc/05/39/74/650053974.db2.gz HKZOTYCMCSXGRW-UONOGXRCSA-N 2 0 338.452 -0.495 20 0 EBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2CCOC)C1 ZINC000904992862 650056368 /nfs/dbraw/zinc/05/63/68/650056368.db2.gz CDCXCONWZDMMMN-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000904994401 650056649 /nfs/dbraw/zinc/05/66/49/650056649.db2.gz GEQHTEKRZRLGOQ-HUUCEWRRSA-N 2 0 340.468 -0.188 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000904994027 650056882 /nfs/dbraw/zinc/05/68/82/650056882.db2.gz FEEJHEKBTGFHNU-CQSZACIVSA-N 2 0 326.441 -0.624 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000904993999 650056944 /nfs/dbraw/zinc/05/69/44/650056944.db2.gz FAHWRMZAARACDD-OAHLLOKOSA-N 2 0 340.468 -0.377 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000904996446 650057340 /nfs/dbraw/zinc/05/73/40/650057340.db2.gz PZRNFLRSNWTCFW-ZIAGYGMSSA-N 2 0 326.441 -0.624 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000904996418 650057542 /nfs/dbraw/zinc/05/75/42/650057542.db2.gz PVPPKIYUCIJJHR-LSDHHAIUSA-N 2 0 338.452 -0.480 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000904997612 650058060 /nfs/dbraw/zinc/05/80/60/650058060.db2.gz UUKSRDJZXUAGGF-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000905024550 650061307 /nfs/dbraw/zinc/06/13/07/650061307.db2.gz WMHDAZOJUOBKQU-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCCS(N)(=O)=O ZINC000906487973 650068214 /nfs/dbraw/zinc/06/82/14/650068214.db2.gz ITLMTASCTYCIKI-AWEZNQCLSA-N 2 0 348.513 -0.070 20 0 EBADRP CN(C)CC[NH+]1CCC(CNC(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000906679958 650070073 /nfs/dbraw/zinc/07/00/73/650070073.db2.gz RPZFJPTTXPFXBQ-UHFFFAOYSA-N 2 0 339.528 -0.130 20 0 EBADRP CN1CC[N@H+](C)CC(C(=O)NCCCC[NH+]2CCC[C@H]2CO)C1 ZINC000907069754 650075923 /nfs/dbraw/zinc/07/59/23/650075923.db2.gz ZQXLJIGSVAIZOQ-INIZCTEOSA-N 2 0 326.485 -0.167 20 0 EBADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000907458127 650083513 /nfs/dbraw/zinc/08/35/13/650083513.db2.gz YAZYMGNUNYPDLN-WBVHZDCISA-N 2 0 326.485 -0.025 20 0 EBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)CC2)C1=O ZINC000908186550 650097934 /nfs/dbraw/zinc/09/79/34/650097934.db2.gz WXMJLSJVEIQPEM-ZQIUZPCESA-N 2 0 338.452 -0.747 20 0 EBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)C[C@]2(C)C1 ZINC000910908072 650139246 /nfs/dbraw/zinc/13/92/46/650139246.db2.gz YONHZDLSCPKZNZ-RKVPGOIHSA-N 2 0 332.448 -0.131 20 0 EBADRP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000910920882 650140471 /nfs/dbraw/zinc/14/04/71/650140471.db2.gz WQINCBPIOUNELZ-GJZGRUSLSA-N 2 0 338.452 -0.936 20 0 EBADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CCCC1 ZINC000910949427 650141414 /nfs/dbraw/zinc/14/14/14/650141414.db2.gz JNKCMJIVIRCTCT-KRWDZBQOSA-N 2 0 340.468 -0.463 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000910947232 650141695 /nfs/dbraw/zinc/14/16/95/650141695.db2.gz VYDUZSGIPXROLC-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000910990300 650144070 /nfs/dbraw/zinc/14/40/70/650144070.db2.gz BJTBZTUHPHKJOL-UONOGXRCSA-N 2 0 340.468 -0.345 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)C1 ZINC000910993607 650144388 /nfs/dbraw/zinc/14/43/88/650144388.db2.gz SLGMIRIBEXLIGW-CABCVRRESA-N 2 0 340.468 -0.343 20 0 EBADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000911004163 650144770 /nfs/dbraw/zinc/14/47/70/650144770.db2.gz OBJBSSPTXMARGR-MRXNPFEDSA-N 2 0 326.441 -0.853 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000911011624 650145247 /nfs/dbraw/zinc/14/52/47/650145247.db2.gz HJQRBGVLWZUICN-RZFFKMDDSA-N 2 0 338.452 -0.796 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000911027915 650146131 /nfs/dbraw/zinc/14/61/31/650146131.db2.gz FIPWOWCUUGDUKM-KKUMJFAQSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911027030 650146436 /nfs/dbraw/zinc/14/64/36/650146436.db2.gz BGCMRWYJUUSFKC-HUUCEWRRSA-N 2 0 339.484 -0.756 20 0 EBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000911055914 650148451 /nfs/dbraw/zinc/14/84/51/650148451.db2.gz RDWCFHCWWBRHMT-RHSMWYFYSA-N 2 0 340.468 -0.321 20 0 EBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000911055916 650148519 /nfs/dbraw/zinc/14/85/19/650148519.db2.gz RDWCFHCWWBRHMT-YOEHRIQHSA-N 2 0 340.468 -0.321 20 0 EBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1COC ZINC000911056169 650148636 /nfs/dbraw/zinc/14/86/36/650148636.db2.gz SFLZHBFFSMHGGA-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911056916 650148794 /nfs/dbraw/zinc/14/87/94/650148794.db2.gz ZRZQKEUFWYNYCS-OAHLLOKOSA-N 2 0 339.484 -0.612 20 0 EBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC000911074118 650149034 /nfs/dbraw/zinc/14/90/34/650149034.db2.gz ZPAIOLBJJLGDGJ-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000911072247 650149259 /nfs/dbraw/zinc/14/92/59/650149259.db2.gz HOYVDEBGPQKBFR-UONOGXRCSA-N 2 0 340.468 -0.201 20 0 EBADRP CCOCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000911088026 650149960 /nfs/dbraw/zinc/14/99/60/650149960.db2.gz NMAQNWKAYXTKLO-GASCZTMLSA-N 2 0 338.452 -0.434 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000911093219 650150502 /nfs/dbraw/zinc/15/05/02/650150502.db2.gz XALFZHJJHMCNHL-HNNXBMFYSA-N 2 0 339.484 -0.756 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000911092166 650150608 /nfs/dbraw/zinc/15/06/08/650150608.db2.gz QRLRZAUFLQCRSB-CABCVRRESA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000911161946 650155919 /nfs/dbraw/zinc/15/59/19/650155919.db2.gz MZJOFZPPBLEVOF-MELADBBJSA-N 2 0 326.441 -0.578 20 0 EBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911147716 650154364 /nfs/dbraw/zinc/15/43/64/650154364.db2.gz SCRSBEQMBPBNOF-DOMZBBRYSA-N 2 0 337.468 -0.875 20 0 EBADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000911160562 650155601 /nfs/dbraw/zinc/15/56/01/650155601.db2.gz FBBOEAOGTHTIMP-MRXNPFEDSA-N 2 0 326.441 -0.853 20 0 EBADRP CC1(C)CN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C[C@@H]1[NH3+] ZINC000911182769 650157503 /nfs/dbraw/zinc/15/75/03/650157503.db2.gz GZFMOYPNWMDIJB-ZDUSSCGKSA-N 2 0 326.441 -0.589 20 0 EBADRP C[C@@H](NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)C(C)(C)C[NH+](C)C ZINC000911196093 650158213 /nfs/dbraw/zinc/15/82/13/650158213.db2.gz AIXAHECELQXJIT-MLGOLLRUSA-N 2 0 328.457 -0.609 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911193596 650158416 /nfs/dbraw/zinc/15/84/16/650158416.db2.gz KELYCIGIGLCGQQ-RDBSUJKOSA-N 2 0 326.441 -0.543 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000911192917 650158557 /nfs/dbraw/zinc/15/85/57/650158557.db2.gz DSRBBSMWQUIFHK-QLFBSQMISA-N 2 0 340.468 -0.343 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000911196399 650159013 /nfs/dbraw/zinc/15/90/13/650159013.db2.gz XDZQYHQHAOGQJQ-UONOGXRCSA-N 2 0 326.441 -0.589 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCSC1 ZINC000911200129 650159035 /nfs/dbraw/zinc/15/90/35/650159035.db2.gz QBMREAJDFWNNPO-FUTJPDQTSA-N 2 0 326.466 -0.451 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000911202458 650159405 /nfs/dbraw/zinc/15/94/05/650159405.db2.gz VWJPRIIKCKQUDR-KGLIPLIRSA-N 2 0 342.484 -0.084 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[C@H]1[NH3+] ZINC000911227249 650160906 /nfs/dbraw/zinc/16/09/06/650160906.db2.gz BCUPZNMVQADYEZ-ZIAGYGMSSA-N 2 0 338.452 -0.447 20 0 EBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000911163844 650156003 /nfs/dbraw/zinc/15/60/03/650156003.db2.gz ZWQSQHYIGGGNJU-CJNGLKHVSA-N 2 0 326.441 -0.711 20 0 EBADRP O=C(NCCCn1ccnc1)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911246606 650162805 /nfs/dbraw/zinc/16/28/05/650162805.db2.gz JKWCMGSTJYSJPN-AWEZNQCLSA-N 2 0 349.435 -0.336 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000911258076 650163420 /nfs/dbraw/zinc/16/34/20/650163420.db2.gz MNWUTPWVQHWVLD-KBPBESRZSA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000911259720 650164104 /nfs/dbraw/zinc/16/41/04/650164104.db2.gz ZPMYVEJSOPWTFZ-CJNGLKHVSA-N 2 0 326.441 -0.589 20 0 EBADRP CC(C)[NH+](CCNC(=O)C(=O)NCCN1CCC([NH3+])CC1)C(C)C ZINC000911267465 650164386 /nfs/dbraw/zinc/16/43/86/650164386.db2.gz MGBZIDWUEZOMTG-UHFFFAOYSA-N 2 0 341.500 -0.239 20 0 EBADRP [NH3+]C1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000911269498 650164415 /nfs/dbraw/zinc/16/44/15/650164415.db2.gz LCGSPTSUXQBTQS-CABCVRRESA-N 2 0 337.468 -0.731 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)C[NH+]1CCCC1 ZINC000911269749 650164502 /nfs/dbraw/zinc/16/45/02/650164502.db2.gz OZOFVXKYQMSPTL-CZUORRHYSA-N 2 0 326.441 -0.853 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCNCC[NH2+]CC2)CCCCC1 ZINC000911267610 650164613 /nfs/dbraw/zinc/16/46/13/650164613.db2.gz LWTNYTHJFHSNIM-UHFFFAOYSA-N 2 0 339.484 -0.612 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000911269335 650164618 /nfs/dbraw/zinc/16/46/18/650164618.db2.gz JHKVYWTWIHXXBU-GJZGRUSLSA-N 2 0 339.484 -0.674 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)C[NH+](C)C ZINC000911298820 650167795 /nfs/dbraw/zinc/16/77/95/650167795.db2.gz XGJMGZXRTHPCOH-YNEHKIRRSA-N 2 0 344.456 -0.702 20 0 EBADRP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911278334 650165810 /nfs/dbraw/zinc/16/58/10/650165810.db2.gz ZWKRDEKNAOKMEE-KKUMJFAQSA-N 2 0 338.452 -0.698 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000911238520 650162024 /nfs/dbraw/zinc/16/20/24/650162024.db2.gz QKGXENJVCVIGRG-LSDHHAIUSA-N 2 0 338.452 -0.434 20 0 EBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000911310784 650169687 /nfs/dbraw/zinc/16/96/87/650169687.db2.gz NKBFMYYFIQBRQE-ZDUSSCGKSA-N 2 0 326.441 -0.671 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)C[NH+](C)C ZINC000911321327 650170860 /nfs/dbraw/zinc/17/08/60/650170860.db2.gz LFBXRKYTDJMDEX-AWEZNQCLSA-N 2 0 328.457 -0.425 20 0 EBADRP CC1(C)CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[C@@H]1[NH3+] ZINC000911336404 650172380 /nfs/dbraw/zinc/17/23/80/650172380.db2.gz IFQDBSQFMCAZHX-KGLIPLIRSA-N 2 0 338.452 -0.448 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)C[NH+](C)C ZINC000911360796 650174765 /nfs/dbraw/zinc/17/47/65/650174765.db2.gz ZWONYTASNGWYLN-MGPQQGTHSA-N 2 0 328.457 -0.297 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000911378040 650176684 /nfs/dbraw/zinc/17/66/84/650176684.db2.gz ATCJJVXWAUFOJW-KGLIPLIRSA-N 2 0 340.468 -0.737 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911384017 650177773 /nfs/dbraw/zinc/17/77/73/650177773.db2.gz FMTPVKAQPKBFNT-CYBMUJFWSA-N 2 0 326.441 -0.719 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911393087 650178362 /nfs/dbraw/zinc/17/83/62/650178362.db2.gz UWSXAHGHQALBOX-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP [NH3+]C1CCN(CCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000911413748 650179966 /nfs/dbraw/zinc/17/99/66/650179966.db2.gz IQTWZKZSWQSYHY-HNNXBMFYSA-N 2 0 337.468 -0.778 20 0 EBADRP [NH3+]CC1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCSC[C@H]23)CC1 ZINC000911422249 650182571 /nfs/dbraw/zinc/18/25/71/650182571.db2.gz YQHOIASKPFQWLC-ZIAGYGMSSA-N 2 0 340.493 -0.120 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+])C[NH+](C)C ZINC000911433944 650183437 /nfs/dbraw/zinc/18/34/37/650183437.db2.gz FSDWUBMXTWOUPC-CPUCHLNUSA-N 2 0 340.468 -0.201 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)C[NH+](C)C ZINC000911435262 650183573 /nfs/dbraw/zinc/18/35/73/650183573.db2.gz LASZLKPJFVUJQT-YJNKXOJESA-N 2 0 340.468 -0.345 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)C[NH+](C)C ZINC000911433933 650183577 /nfs/dbraw/zinc/18/35/77/650183577.db2.gz FIWQYAHVNOSPOR-RDBSUJKOSA-N 2 0 326.441 -0.578 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)C[NH+](C)C ZINC000911436556 650184027 /nfs/dbraw/zinc/18/40/27/650184027.db2.gz VJASVOCZDRFULH-RHSMWYFYSA-N 2 0 340.468 -0.329 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2)C[NH+](C)C ZINC000911437094 650184034 /nfs/dbraw/zinc/18/40/34/650184034.db2.gz XSOHJCPVTKVBLB-XJKSGUPXSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000911490365 650188329 /nfs/dbraw/zinc/18/83/29/650188329.db2.gz RTZANORCTZEOLH-QLFBSQMISA-N 2 0 340.468 -0.201 20 0 EBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)CC2)C1 ZINC000911535810 650191408 /nfs/dbraw/zinc/19/14/08/650191408.db2.gz HWOQBPOVCMAHIP-CAOSSQGBSA-N 2 0 349.479 -0.766 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C[C@@H](C)O1 ZINC000911542589 650192343 /nfs/dbraw/zinc/19/23/43/650192343.db2.gz PIQWTFJOAJOHJV-UXXRCYHCSA-N 2 0 338.452 -0.389 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCO1 ZINC000911551026 650193032 /nfs/dbraw/zinc/19/30/32/650193032.db2.gz GMXLEQDXKZQCFP-APIJFGDWSA-N 2 0 338.452 -0.435 20 0 EBADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000911551912 650193100 /nfs/dbraw/zinc/19/31/00/650193100.db2.gz TVLZANGFBIJCIG-XLWJZTARSA-N 2 0 336.436 -0.947 20 0 EBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000911703270 650196105 /nfs/dbraw/zinc/19/61/05/650196105.db2.gz WJMIGGFTABPHPJ-RHSMWYFYSA-N 2 0 338.452 -0.839 20 0 EBADRP CC(C)[C@H](C(=O)N[C@@H](CO)CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC000913915597 650248314 /nfs/dbraw/zinc/24/83/14/650248314.db2.gz INQPNFMSEMRWQA-QLFBSQMISA-N 2 0 344.500 -0.248 20 0 EBADRP C[NH+](C)CCNC(=S)NC[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000916017989 650272152 /nfs/dbraw/zinc/27/21/52/650272152.db2.gz UWOGOXDAAKDDMZ-OAHLLOKOSA-N 2 0 343.541 -0.334 20 0 EBADRP C[NH+]1CCN(CC2CN(S(=O)(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC000917889127 650284941 /nfs/dbraw/zinc/28/49/41/650284941.db2.gz CNAXHDLQYMQVKL-UHFFFAOYSA-N 2 0 344.525 -0.019 20 0 EBADRP C[N@@H+]1CC[C@H]1CNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000919072171 650294737 /nfs/dbraw/zinc/29/47/37/650294737.db2.gz NUCDLOVCDDFEHZ-CABCVRRESA-N 2 0 325.457 -0.604 20 0 EBADRP Cn1cc(CN(CCC[NH2+]C2CC2)[C@@H]2CC[NH2+]C2)c(=O)n(C)c1=O ZINC000923341448 650338118 /nfs/dbraw/zinc/33/81/18/650338118.db2.gz XROJLYGBMXKNAB-OAHLLOKOSA-N 2 0 335.452 -0.610 20 0 EBADRP CN(C[C@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1)S(C)(=O)=O ZINC000923375786 650338996 /nfs/dbraw/zinc/33/89/96/650338996.db2.gz FCURJYISKJWJLE-ZIAGYGMSSA-N 2 0 331.482 -0.032 20 0 EBADRP COC(=O)CCN1CC[C@@H]([NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)C1=O ZINC000923447686 650340973 /nfs/dbraw/zinc/34/09/73/650340973.db2.gz VZNWOCQOYFICIU-UONOGXRCSA-N 2 0 339.436 -0.020 20 0 EBADRP C[NH+](C)CCOc1cccc(CNS(=O)(=O)N2CC[NH2+]CC2)c1 ZINC000923591079 650345447 /nfs/dbraw/zinc/34/54/47/650345447.db2.gz MTEVRDRCYOTBKY-UHFFFAOYSA-N 2 0 342.465 -0.133 20 0 EBADRP O=S(=O)(N1CCNCC1)N1CCN(CCc2ccccc2)CC1 ZINC000923581848 650344635 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EBADRP CC1(C)[C@H]([NH2+]CCN2CCN(S(C)(=O)=O)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925489563 650379515 /nfs/dbraw/zinc/37/95/15/650379515.db2.gz KTKXCWDKOUQEQT-QLFBSQMISA-N 2 0 344.525 -0.070 20 0 EBADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000926287929 650384678 /nfs/dbraw/zinc/38/46/78/650384678.db2.gz NEEMMYLTXWKIBN-AWEZNQCLSA-N 2 0 331.420 -0.073 20 0 EBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926292521 650385219 /nfs/dbraw/zinc/38/52/19/650385219.db2.gz BRLNFGHBBOXJLX-MRXNPFEDSA-N 2 0 328.457 -0.655 20 0 EBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926292460 650385235 /nfs/dbraw/zinc/38/52/35/650385235.db2.gz BRLNFGHBBOXJLX-INIZCTEOSA-N 2 0 328.457 -0.655 20 0 EBADRP C[N@H+](CCO)C1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000926332427 650386588 /nfs/dbraw/zinc/38/65/88/650386588.db2.gz MYLFXJHPIKZLGN-DZGCQCFKSA-N 2 0 338.452 -0.888 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCNCC[NH2+]CC2)[C@H](C)C1 ZINC000926347933 650387903 /nfs/dbraw/zinc/38/79/03/650387903.db2.gz PABOELSQPNPCDL-CABCVRRESA-N 2 0 339.484 -0.804 20 0 EBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000926351249 650388284 /nfs/dbraw/zinc/38/82/84/650388284.db2.gz HTFOTMLLBRMZPF-XJKSGUPXSA-N 2 0 326.441 -0.901 20 0 EBADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)[N@H+](C)C1 ZINC000926413262 650391928 /nfs/dbraw/zinc/39/19/28/650391928.db2.gz FTLONWAVVWLMRT-IHRRRGAJSA-N 2 0 326.441 -0.639 20 0 EBADRP CCO[C@H](CNC(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1)C[NH+](C)C ZINC000926843513 651496984 /nfs/dbraw/zinc/49/69/84/651496984.db2.gz FERGPQWTRRIICP-UONOGXRCSA-N 2 0 344.456 -0.301 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[C@@H]1C[NH3+] ZINC000927893553 651511579 /nfs/dbraw/zinc/51/15/79/651511579.db2.gz HSDBXYJSAZETIZ-CHWSQXEVSA-N 2 0 336.440 -0.174 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NC1CC[NH+](CC)CC1)C[NH+](C)C ZINC000929197407 651536427 /nfs/dbraw/zinc/53/64/27/651536427.db2.gz DLDWRLGHBNYMMI-CQSZACIVSA-N 2 0 328.457 -0.330 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)C[NH+](C)C ZINC000929289149 651541213 /nfs/dbraw/zinc/54/12/13/651541213.db2.gz YUQUXQAJISCMAR-HNNXBMFYSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H](CNC(=O)CN1C[C@H](O)C(C)(C)C1)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000930269697 651591407 /nfs/dbraw/zinc/59/14/07/651591407.db2.gz ITQNVGGXEPAXEL-RDBSUJKOSA-N 2 0 327.469 -0.104 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)C[NH+](C)C ZINC000930479705 651599347 /nfs/dbraw/zinc/59/93/47/651599347.db2.gz MVYVRERDIXXEOS-KCQAQPDRSA-N 2 0 340.468 -0.189 20 0 EBADRP C[C@@H](O)[C@H](O)C[N@@H+]1CCC[C@@]2(CCC[NH+](C[C@@H](O)[C@H](C)O)C2)C1 ZINC000930512847 651600750 /nfs/dbraw/zinc/60/07/50/651600750.db2.gz XBTLHEKZAUZYFE-ZHCJQAHYSA-N 2 0 330.469 -0.352 20 0 EBADRP CN1CC[NH+](CCCCCC[N@H+]2CCN(C)[C@@H](CO)C2)C[C@@H]1CO ZINC000931402538 651631527 /nfs/dbraw/zinc/63/15/27/651631527.db2.gz FDCZLHPNRJLEDL-QZTJIDSGSA-N 2 0 342.528 -0.237 20 0 EBADRP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931485571 651634751 /nfs/dbraw/zinc/63/47/51/651634751.db2.gz NJHMUEACNQHQMQ-ZIAGYGMSSA-N 2 0 340.468 -0.513 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)C[NH+](C)C ZINC000932468371 651682084 /nfs/dbraw/zinc/68/20/84/651682084.db2.gz NIJNDZXJTRGSAP-ILXRZTDVSA-N 2 0 340.468 -0.236 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)C[NH+](C)C ZINC000932470464 651682943 /nfs/dbraw/zinc/68/29/43/651682943.db2.gz ZVKNRGUYDSBINJ-HUUCEWRRSA-N 2 0 342.484 -0.131 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N2CCN(C3C[NH+](CCCO)C3)CC2)C1 ZINC000941566489 652807270 /nfs/dbraw/zinc/80/72/70/652807270.db2.gz DYHXQUADLUSSPU-UHFFFAOYSA-N 2 0 338.496 -0.071 20 0 EBADRP NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000946592875 653161583 /nfs/dbraw/zinc/16/15/83/653161583.db2.gz ZNBBUMMPHPOVRA-XHSDSOJGSA-N 2 0 334.464 -0.016 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(O)(C[NH2+][C@H]3CCCNC3=O)CC2)C1 ZINC000946927786 653273581 /nfs/dbraw/zinc/27/35/81/653273581.db2.gz MYIVOPNCXVLNQG-KGLIPLIRSA-N 2 0 338.452 -0.840 20 0 EBADRP O=C(NC[C@H]1C[N@H+](CCCO)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC000958249061 722333552 /nfs/dbraw/zinc/33/35/52/722333552.db2.gz RHHHLTHNSNLEME-BBRMVZONSA-N 2 0 345.403 -0.328 20 0 EBADRP Cn1cc(CC[N@@H+]2C[C@H](O)[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC000958592959 722397746 /nfs/dbraw/zinc/39/77/46/722397746.db2.gz ZBWYPMNNTVDMPO-HOTGVXAUSA-N 2 0 347.463 -0.533 20 0 EBADRP Cc1cncn1CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000958752940 722426859 /nfs/dbraw/zinc/42/68/59/722426859.db2.gz UDDBTNSQESPDEI-ILXRZTDVSA-N 2 0 349.435 -0.684 20 0 EBADRP O=C(C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2)N1CCC1 ZINC000959924875 722775466 /nfs/dbraw/zinc/77/54/66/722775466.db2.gz SFWWRCIIVYQWKG-LJIGWXMPSA-N 2 0 332.448 -0.393 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCN4CCNC4=O)C[C@H]32)CC[N@@H+]1C ZINC000959973044 722779075 /nfs/dbraw/zinc/77/90/75/722779075.db2.gz LJHSGTRMAXDIKP-ZSAUSMIDSA-N 2 0 335.452 -0.602 20 0 EBADRP CN(C)Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@H]32)no1 ZINC000960715866 722856017 /nfs/dbraw/zinc/85/60/17/722856017.db2.gz XNTYVTAVLJUQQO-OSRDXIQISA-N 2 0 347.419 -0.325 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3OCCN(C(=O)Cc4cnc[nH]4)[C@H]3C2)C1 ZINC000961052979 722890958 /nfs/dbraw/zinc/89/09/58/722890958.db2.gz FIPKRVTXCQOLCY-AEGPPILISA-N 2 0 347.419 -0.658 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001019039203 728778886 /nfs/dbraw/zinc/77/88/86/728778886.db2.gz WOQTYNGHTGOACP-UONOGXRCSA-N 2 0 338.452 -0.576 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CCN4CCNC4=O)C[C@H]32)CC1 ZINC000961657201 723053515 /nfs/dbraw/zinc/05/35/15/723053515.db2.gz CEJCNFFGYYMCHX-FICVDOATSA-N 2 0 335.452 -0.600 20 0 EBADRP CN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC2CC[NH+](C)CC2)C1=O ZINC000961957501 723131161 /nfs/dbraw/zinc/13/11/61/723131161.db2.gz OLLGZTOSCSUADM-DLTWYDFYSA-N 2 0 334.464 -0.005 20 0 EBADRP O=C(c1ccn2c[nH+]cc2c1)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001019094964 728794929 /nfs/dbraw/zinc/79/49/29/728794929.db2.gz VHWFYUBLCLBQSD-JSGCOSHPSA-N 2 0 341.371 -0.056 20 0 EBADRP C[NH+]1CCC(C(=O)NC2CC(C[NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC000962250781 723207280 /nfs/dbraw/zinc/20/72/80/723207280.db2.gz HXEVXDCWWXLHGP-UXUKBGGZSA-N 2 0 336.436 -0.382 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000962311606 723224100 /nfs/dbraw/zinc/22/41/00/723224100.db2.gz LVUSYAPQZYHCQV-OSRDXIQISA-N 2 0 329.404 -0.304 20 0 EBADRP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC[C@H]([NH2+]CCn2cccn2)C1 ZINC001019166718 728813764 /nfs/dbraw/zinc/81/37/64/728813764.db2.gz PIODVJUYXYOGJW-BNQMIIOLSA-N 2 0 345.447 -0.063 20 0 EBADRP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001019169908 728814850 /nfs/dbraw/zinc/81/48/50/728814850.db2.gz QAMCQZIANAZZSD-GWUWNPHMSA-N 2 0 346.435 -0.668 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CCO1 ZINC001019241711 728835508 /nfs/dbraw/zinc/83/55/08/728835508.db2.gz WLGBERYMBXHUHJ-QLFBSQMISA-N 2 0 338.452 -0.482 20 0 EBADRP CN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)C2)C1=O ZINC001019496893 728900910 /nfs/dbraw/zinc/90/09/10/728900910.db2.gz DYAPFYUXHZOOAF-LSDHHAIUSA-N 2 0 348.451 -0.521 20 0 EBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC[C@@H]([NH2+]CCO)C2)CC1 ZINC000968714310 725108575 /nfs/dbraw/zinc/10/85/75/725108575.db2.gz IHDYQIPHOVUMRH-OAGGEKHMSA-N 2 0 325.453 -0.084 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)n1 ZINC000968714787 725108782 /nfs/dbraw/zinc/10/87/82/725108782.db2.gz SPJVHXRXEANUSY-CQSZACIVSA-N 2 0 348.451 -0.519 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1)[NH+](C)C ZINC000969074656 725147992 /nfs/dbraw/zinc/14/79/92/725147992.db2.gz MVXRIIXNGMDCML-ZIAGYGMSSA-N 2 0 326.441 -0.624 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000969086599 725149828 /nfs/dbraw/zinc/14/98/28/725149828.db2.gz WOQTYNGHTGOACP-KGLIPLIRSA-N 2 0 338.452 -0.576 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](O)C1)[NH+](C)C ZINC000969800582 725218546 /nfs/dbraw/zinc/21/85/46/725218546.db2.gz ITPOYXNTLGXQMD-QPSCCSFWSA-N 2 0 340.468 -0.501 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2O)C1 ZINC000970645824 725310767 /nfs/dbraw/zinc/31/07/67/725310767.db2.gz IRSZOLLMTQQDOR-ZNMIVQPWSA-N 2 0 338.452 -0.888 20 0 EBADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1C[NH+](CCN2C(=O)CCC2=O)C1 ZINC000970745144 725323170 /nfs/dbraw/zinc/32/31/70/725323170.db2.gz JUUYIEVNNKMVFI-ZDUSSCGKSA-N 2 0 348.447 -0.332 20 0 EBADRP C[N@H+](CCN1C(=O)CCC1=O)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000971202218 725353912 /nfs/dbraw/zinc/35/39/12/725353912.db2.gz UNLJFPLXNAYORR-KGLIPLIRSA-N 2 0 336.436 -0.238 20 0 EBADRP C[N@H+](CCN1CCNC1=O)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000971544884 725419761 /nfs/dbraw/zinc/41/97/61/725419761.db2.gz FQDHHDQOXILGSO-HZPDHXFCSA-N 2 0 349.479 -0.114 20 0 EBADRP C[C@@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000971555643 725421003 /nfs/dbraw/zinc/42/10/03/725421003.db2.gz HWQBCJSCHNCZII-STQMWFEESA-N 2 0 336.440 -0.535 20 0 EBADRP CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CCO2)C1=O ZINC001051650671 735291907 /nfs/dbraw/zinc/29/19/07/735291907.db2.gz CQVZGDGAVBBWMW-ZIAGYGMSSA-N 2 0 338.452 -0.482 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H]([N@H+](C)[C@@H]3CCNC3=O)C2)cn1 ZINC000972522180 725540607 /nfs/dbraw/zinc/54/06/07/725540607.db2.gz HTRBAYPSRQRFFT-HUUCEWRRSA-N 2 0 348.451 -0.521 20 0 EBADRP C[C@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000972522776 725540660 /nfs/dbraw/zinc/54/06/60/725540660.db2.gz OXKZDKRKNFGACJ-OCCSQVGLSA-N 2 0 336.440 -0.535 20 0 EBADRP C[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000972522774 725540797 /nfs/dbraw/zinc/54/07/97/725540797.db2.gz OXKZDKRKNFGACJ-GXTWGEPZSA-N 2 0 336.440 -0.535 20 0 EBADRP C[N@H+](CCN1CCNC1=O)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972735274 725588669 /nfs/dbraw/zinc/58/86/69/725588669.db2.gz LOYMXNLNMCGIQQ-CQSZACIVSA-N 2 0 335.452 -0.360 20 0 EBADRP O=C(NC1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1)[C@H]1C[NH+]2CCC1CC2 ZINC000991884764 725665895 /nfs/dbraw/zinc/66/58/95/725665895.db2.gz QZTKSFWBVHITOM-DLBZAZTESA-N 2 0 346.475 -0.003 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000991895818 725670390 /nfs/dbraw/zinc/67/03/90/725670390.db2.gz UACOIVUHFMYILI-XJKSGUPXSA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC(NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000993565795 725904478 /nfs/dbraw/zinc/90/44/78/725904478.db2.gz ACZZZRWMSSYPGJ-LSDHHAIUSA-N 2 0 336.436 -0.728 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC000994599235 726039103 /nfs/dbraw/zinc/03/91/03/726039103.db2.gz FRJWAMBSBASRPC-TZMCWYRMSA-N 2 0 331.420 -0.133 20 0 EBADRP C[NH+]1CCC(C(=O)NC2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC000994923282 726117712 /nfs/dbraw/zinc/11/77/12/726117712.db2.gz GXCHSOOLUUXXPS-MRXNPFEDSA-N 2 0 334.464 -0.003 20 0 EBADRP Cn1ncc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)n1 ZINC000996619798 726420235 /nfs/dbraw/zinc/42/02/35/726420235.db2.gz LAJGHZALAFKIND-JKSUJKDBSA-N 2 0 348.451 -0.241 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCC([NH2+]Cc2nc(=O)n(C)[nH]2)CC1)[NH+](C)C ZINC000996688237 726422473 /nfs/dbraw/zinc/42/24/73/726422473.db2.gz LJBVQGCUWCLUAK-AWEZNQCLSA-N 2 0 338.456 -0.225 20 0 EBADRP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1)C(N)=O ZINC000996821813 726428778 /nfs/dbraw/zinc/42/87/78/726428778.db2.gz JHTFMFSCDOGZQV-PWXAKJEPSA-N 2 0 336.436 -0.696 20 0 EBADRP CC(C)[C@H](C(=O)N1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1)[NH+](C)C ZINC000996963651 726433847 /nfs/dbraw/zinc/43/38/47/726433847.db2.gz GMYDTNJPOJAKSM-UKRRQHHQSA-N 2 0 338.452 -0.042 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC([NH2+][C@H]3CCC(=O)NC3=O)CC2)C1 ZINC000996996845 726434446 /nfs/dbraw/zinc/43/44/46/726434446.db2.gz ADODNVUPVILVJP-JSGCOSHPSA-N 2 0 336.436 -0.286 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC([NH2+]CCN3CCNC3=O)CC2)C1 ZINC000997009042 726434668 /nfs/dbraw/zinc/43/46/68/726434668.db2.gz XLBYFSWTXBTJFL-AWEZNQCLSA-N 2 0 337.468 -0.066 20 0 EBADRP CC[C@@H]([NH2+]C1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1)C(N)=O ZINC000997313620 726445939 /nfs/dbraw/zinc/44/59/39/726445939.db2.gz SHAKIMVQKIUEND-UKRRQHHQSA-N 2 0 340.468 -0.201 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1)[NH+](C)C ZINC000999488963 726520608 /nfs/dbraw/zinc/52/06/08/726520608.db2.gz IBVSONOVBYNMEQ-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP O=C(NCc1cn([C@H]2CC[N@@H+](CCO)C2)nn1)[C@@H]1C[NH+]2CCC1CC2 ZINC000999986997 726547523 /nfs/dbraw/zinc/54/75/23/726547523.db2.gz MKNCEUNCJBSJAM-JKSUJKDBSA-N 2 0 348.451 -0.525 20 0 EBADRP O=C(NCc1cn([C@H]2CC[N@@H+](CCO)C2)nn1)C12CCC[NH+]1CCC2 ZINC001000004635 726549543 /nfs/dbraw/zinc/54/95/43/726549543.db2.gz WFBFQVVBJIYRGC-HNNXBMFYSA-N 2 0 348.451 -0.238 20 0 EBADRP COCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001000037010 726552246 /nfs/dbraw/zinc/55/22/46/726552246.db2.gz XEIFLXKQKTYBDT-OAHLLOKOSA-N 2 0 348.451 -0.117 20 0 EBADRP COCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)C3)nn2)C1 ZINC001000041412 726552727 /nfs/dbraw/zinc/55/27/27/726552727.db2.gz BQVLGGOTDJVTBY-DZGCQCFKSA-N 2 0 336.440 -0.261 20 0 EBADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1)C(N)=O ZINC001000572316 726571607 /nfs/dbraw/zinc/57/16/07/726571607.db2.gz NRFHUDCDIHTICI-STQMWFEESA-N 2 0 326.441 -0.448 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nc1=O ZINC001000690911 726575321 /nfs/dbraw/zinc/57/53/21/726575321.db2.gz XFONUIWDSALAEF-STQMWFEESA-N 2 0 336.440 -0.469 20 0 EBADRP O=C(N1CCC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001000714413 726575834 /nfs/dbraw/zinc/57/58/34/726575834.db2.gz ZWSXTIMGILTYEF-CYBMUJFWSA-N 2 0 349.435 -0.785 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001000922543 726584054 /nfs/dbraw/zinc/58/40/54/726584054.db2.gz BQSXPYNFCRSGLC-QWHCGFSZSA-N 2 0 337.424 -0.930 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC2=CC[NH+](CCN3C(=O)CCC3=O)CC2)C1 ZINC001001446934 726606589 /nfs/dbraw/zinc/60/65/89/726606589.db2.gz YHSNLKNYNUAFLX-HNNXBMFYSA-N 2 0 348.447 -0.165 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC2CC[NH+](CCN3CCNC3=O)CC2)C1 ZINC001002128473 726633577 /nfs/dbraw/zinc/63/35/77/726633577.db2.gz YFOVPUNUEOPWPM-HNNXBMFYSA-N 2 0 337.468 -0.209 20 0 EBADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001006131816 726756639 /nfs/dbraw/zinc/75/66/39/726756639.db2.gz ZZJLSLFIINJDIA-UONOGXRCSA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001006457339 726769959 /nfs/dbraw/zinc/76/99/59/726769959.db2.gz OOIDWAILSBVGFC-ZIAGYGMSSA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(N[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001009219027 726872651 /nfs/dbraw/zinc/87/26/51/726872651.db2.gz IEOAROKVFMASJO-CVEARBPZSA-N 2 0 347.463 -0.080 20 0 EBADRP C[NH+]1CCC(CC(=O)N2CCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001051857372 735430363 /nfs/dbraw/zinc/43/03/63/735430363.db2.gz GIVASKLZITUCJI-GJZGRUSLSA-N 2 0 338.452 -0.576 20 0 EBADRP Cn1ccc(C[NH2+]C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CCO2)n1 ZINC001051904258 735455911 /nfs/dbraw/zinc/45/59/11/735455911.db2.gz FAHQPPODJJRFBF-OAHLLOKOSA-N 2 0 333.436 -0.167 20 0 EBADRP Cc1nn(C)cc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001051932591 735470734 /nfs/dbraw/zinc/47/07/34/735470734.db2.gz UBBMSMYIOMJLFL-GDBMZVCRSA-N 2 0 335.452 -0.003 20 0 EBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2CC[N@H+](CCO)C2)CC1 ZINC001014463771 727957878 /nfs/dbraw/zinc/95/78/78/727957878.db2.gz RIFBPTQJZSSAEO-XHSDSOJGSA-N 2 0 325.453 -0.084 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CC[C@H](N2CC[NH+](CCCO)CC2)C1)C1CC1 ZINC001052036314 735514312 /nfs/dbraw/zinc/51/43/12/735514312.db2.gz LCIKUTLAVXNMKA-IRXDYDNUSA-N 2 0 338.496 -0.073 20 0 EBADRP CC(C)[C@H](C(=O)N1CC[C@@H](N2CC[NH+](CCO)CC2)C1)[NH+](C)C ZINC001052075993 735535788 /nfs/dbraw/zinc/53/57/88/735535788.db2.gz FPHOVAMTOFQZID-HZPDHXFCSA-N 2 0 326.485 -0.217 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001018853981 728695613 /nfs/dbraw/zinc/69/56/13/728695613.db2.gz BAVMSOVLZLKMQA-LSDHHAIUSA-N 2 0 335.452 -0.456 20 0 EBADRP O=C(C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)N1CCOCC1 ZINC001019659785 728966992 /nfs/dbraw/zinc/96/69/92/728966992.db2.gz MCGLQMJALZEGSA-AWEZNQCLSA-N 2 0 336.436 -0.869 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001020026586 729058558 /nfs/dbraw/zinc/05/85/58/729058558.db2.gz ZCYNIMWHHOZDIZ-MGPQQGTHSA-N 2 0 344.481 -0.647 20 0 EBADRP Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccn(CC[NH+](C)C)n3)C2)nn1 ZINC001020165039 729089193 /nfs/dbraw/zinc/08/91/93/729089193.db2.gz GWGZLXQINOKDFG-JOCQHMNTSA-N 2 0 346.439 -0.376 20 0 EBADRP CN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)c3ccn(CC[NH+](C)C)n3)C2)C1=O ZINC001020165429 729089228 /nfs/dbraw/zinc/08/92/28/729089228.db2.gz XXKCIPZLZRXQIS-YDHLFZDLSA-N 2 0 348.451 -0.474 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001020174469 729090734 /nfs/dbraw/zinc/09/07/34/729090734.db2.gz BYEVBNWHLDQJHP-ZDEQEGDKSA-N 2 0 336.440 -0.425 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CC[N@@H+]1C ZINC001020174485 729090780 /nfs/dbraw/zinc/09/07/80/729090780.db2.gz CMQPYAYNKNROEN-HTVCTNPSSA-N 2 0 336.436 -0.241 20 0 EBADRP O=C(C[NH2+][C@@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1)N1CCC1 ZINC001020178720 729092103 /nfs/dbraw/zinc/09/21/03/729092103.db2.gz BYCNGPRXJNXGAN-ZQDZILKHSA-N 2 0 336.436 -0.681 20 0 EBADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnns3)C2)O1 ZINC001020286733 729124090 /nfs/dbraw/zinc/12/40/90/729124090.db2.gz LFFURADUZLIMPA-PRULPYPASA-N 2 0 325.438 -0.006 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001020588842 729205522 /nfs/dbraw/zinc/20/55/22/729205522.db2.gz ODJNMHYVZCTYHU-KKUMJFAQSA-N 2 0 338.452 -0.576 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001020588846 729205626 /nfs/dbraw/zinc/20/56/26/729205626.db2.gz OHOOISMYVISCIG-AJNGGQMLSA-N 2 0 343.493 0.000 20 0 EBADRP Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001020720428 729222909 /nfs/dbraw/zinc/22/29/09/729222909.db2.gz BFZSVVZGRCRRFK-HDJSIYSDSA-N 2 0 346.439 -0.376 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+][C@H]2C[C@H](NC(=O)C[NH+]3CCCC3)C2)CCO1 ZINC001021046826 729274499 /nfs/dbraw/zinc/27/44/99/729274499.db2.gz ZNOCYFIZTPLCQX-KKUMJFAQSA-N 2 0 338.452 -0.434 20 0 EBADRP O=C(N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001022089959 729453443 /nfs/dbraw/zinc/45/34/43/729453443.db2.gz PJYNXIVVCMBLPA-MJBXVCDLSA-N 2 0 349.435 -0.883 20 0 EBADRP Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001022096510 729454411 /nfs/dbraw/zinc/45/44/11/729454411.db2.gz FWUGZKQBNVHYEN-BETUJISGSA-N 2 0 346.439 -0.376 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)n1 ZINC001022097096 729454799 /nfs/dbraw/zinc/45/47/99/729454799.db2.gz NUUABQXFBLKXQH-XQQFMLRXSA-N 2 0 334.424 -0.816 20 0 EBADRP Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)[nH]1 ZINC001022120146 729457610 /nfs/dbraw/zinc/45/76/10/729457610.db2.gz LGLDWPJAOQPKGH-CRWXNKLISA-N 2 0 334.424 -0.287 20 0 EBADRP O=C(N[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)C12CCC[NH+](CCC1)C2 ZINC001022274070 729473045 /nfs/dbraw/zinc/47/30/45/729473045.db2.gz KCMGZKRDCVTTOR-HZSPNIEDSA-N 2 0 348.447 -0.096 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001022715936 729524453 /nfs/dbraw/zinc/52/44/53/729524453.db2.gz OHOOISMYVISCIG-ZQDZILKHSA-N 2 0 343.493 0.000 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001022719178 729524985 /nfs/dbraw/zinc/52/49/85/729524985.db2.gz ITXIDKIKULIIBS-IGQOVBAYSA-N 2 0 348.451 -0.257 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001022976695 729568034 /nfs/dbraw/zinc/56/80/34/729568034.db2.gz DVHZULCGHBIWOQ-MELADBBJSA-N 2 0 336.436 -0.286 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)C[NH+]3CCCC3)C2)CCO1 ZINC001023090811 729599642 /nfs/dbraw/zinc/59/96/42/729599642.db2.gz ZNOCYFIZTPLCQX-SOUVJXGZSA-N 2 0 338.452 -0.434 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001023130192 729615320 /nfs/dbraw/zinc/61/53/20/729615320.db2.gz DLQJBLCHHAJQPW-FRRDWIJNSA-N 2 0 336.440 -0.280 20 0 EBADRP C[N@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1)C1CCC1 ZINC001023787607 729798488 /nfs/dbraw/zinc/79/84/88/729798488.db2.gz MSTIRIZOWVVTJA-BPLDGKMQSA-N 2 0 338.452 -0.890 20 0 EBADRP O=C(N1CCC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001024239577 729865052 /nfs/dbraw/zinc/86/50/52/729865052.db2.gz XURYSICTPACAQZ-UONOGXRCSA-N 2 0 348.447 -0.284 20 0 EBADRP CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CCCC[NH+]2C1 ZINC001025781744 730087092 /nfs/dbraw/zinc/08/70/92/730087092.db2.gz LYSXDOWLJRNZLP-NPCUJANDSA-N 2 0 334.464 -0.005 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025809053 730093841 /nfs/dbraw/zinc/09/38/41/730093841.db2.gz VFZXXTOGQHCVQH-SGPHBRAGSA-N 2 0 348.447 -0.288 20 0 EBADRP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908419 730104774 /nfs/dbraw/zinc/10/47/74/730104774.db2.gz JOEXZRLRDSDRQE-QDFAOZQBSA-N 2 0 348.447 -0.840 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)CC[N@@H+]1C ZINC001025975779 730114051 /nfs/dbraw/zinc/11/40/51/730114051.db2.gz RLJHOCGJNAUNIP-ZYMYPMDRSA-N 2 0 348.447 -0.432 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@H]21 ZINC001026044225 730117818 /nfs/dbraw/zinc/11/78/18/730117818.db2.gz MBFKPVMSTOYDHI-YZVFDVFRSA-N 2 0 334.464 -0.149 20 0 EBADRP CC(C)N1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001026145980 730125634 /nfs/dbraw/zinc/12/56/34/730125634.db2.gz BQGPOZYZMDCXRJ-OWYFMNJBSA-N 2 0 334.464 -0.006 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@@H]3C2)cn1 ZINC001026373298 730141394 /nfs/dbraw/zinc/14/13/94/730141394.db2.gz MLUDHFYGRUJMCU-CFVMTHIKSA-N 2 0 348.451 -0.630 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@@H]3C2)CC1 ZINC001026387658 730142640 /nfs/dbraw/zinc/14/26/40/730142640.db2.gz CBNBRVRSFUQJRT-NWANDNLSSA-N 2 0 338.452 -0.591 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)n1 ZINC001026851097 730163502 /nfs/dbraw/zinc/16/35/02/730163502.db2.gz JOGJXHQVXXSGNR-UONOGXRCSA-N 2 0 348.451 -0.615 20 0 EBADRP C[N@H+](CC(=O)N1CC[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC001026889102 730167266 /nfs/dbraw/zinc/16/72/66/730167266.db2.gz SJJGJGBFSMDEPK-JSGCOSHPSA-N 2 0 336.436 -0.286 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001027064612 730185994 /nfs/dbraw/zinc/18/59/94/730185994.db2.gz HYYPSIOMLRGOTP-OLZOCXBDSA-N 2 0 336.440 -0.612 20 0 EBADRP O=C(N1CC[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001027173817 730195013 /nfs/dbraw/zinc/19/50/13/730195013.db2.gz WKEFKXLROBGJBR-OLZOCXBDSA-N 2 0 334.420 -0.675 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@@H](C[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001027217589 730199862 /nfs/dbraw/zinc/19/98/62/730199862.db2.gz MMDWZPTWIQPYGM-AWEZNQCLSA-N 2 0 348.451 -0.158 20 0 EBADRP C[N@H+](CCN1CCNC1=O)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001027681362 730233758 /nfs/dbraw/zinc/23/37/58/730233758.db2.gz VJGXPMBICHDKTA-GJZGRUSLSA-N 2 0 337.468 -0.114 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCN1C(=O)CNC1=O ZINC001027790312 730238890 /nfs/dbraw/zinc/23/88/90/730238890.db2.gz QIMYLSFSWQKTDI-OLZOCXBDSA-N 2 0 337.424 -0.787 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCN2C(=O)CNC2=O)C1 ZINC001028448330 730293465 /nfs/dbraw/zinc/29/34/65/730293465.db2.gz DFJXYVAHMJSJNI-OLZOCXBDSA-N 2 0 337.424 -0.930 20 0 EBADRP O=C(NC[C@@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001028931411 730372209 /nfs/dbraw/zinc/37/22/09/730372209.db2.gz QAQFEAKNDHZVTH-HOTGVXAUSA-N 2 0 347.463 -0.222 20 0 EBADRP C[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCC(=O)NC2=O)CC1 ZINC001029453541 730406315 /nfs/dbraw/zinc/40/63/15/730406315.db2.gz XVAZGPJUOVCOAS-ZNMIVQPWSA-N 2 0 348.447 -0.191 20 0 EBADRP C[N@H+](C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1CCC(=O)NC1=O ZINC001029887365 730519251 /nfs/dbraw/zinc/51/92/51/730519251.db2.gz BEHARTQWSQZXGH-ZIAGYGMSSA-N 2 0 348.447 -0.332 20 0 EBADRP Cn1[nH]c(C[N@H+](C)C[C@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)nc1=O ZINC001029902671 730522608 /nfs/dbraw/zinc/52/26/08/730522608.db2.gz UUBIDVPUVQBPQZ-CHWSQXEVSA-N 2 0 336.440 -0.660 20 0 EBADRP O=C(NCC1C[NH+](CCN2CCNC2=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001031674810 730749542 /nfs/dbraw/zinc/74/95/42/730749542.db2.gz PWMYIKRPDXSINJ-HNNXBMFYSA-N 2 0 335.452 -0.599 20 0 EBADRP Cn1nccc1CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001031689104 730751219 /nfs/dbraw/zinc/75/12/19/730751219.db2.gz SCMNYGXGJSYLOM-SJORKVTESA-N 2 0 347.463 -0.126 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](CCN3CCNC3=O)C2)C1 ZINC001033420097 731021106 /nfs/dbraw/zinc/02/11/06/731021106.db2.gz LXLJRKWUAXMLEI-LSDHHAIUSA-N 2 0 337.468 -0.114 20 0 EBADRP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001033666560 731058922 /nfs/dbraw/zinc/05/89/22/731058922.db2.gz YLNQVFPEXAVDMC-ZDUSSCGKSA-N 2 0 337.424 -0.833 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)nc1=O ZINC001034791820 731157495 /nfs/dbraw/zinc/15/74/95/731157495.db2.gz SSZFLJNBAIEMMY-AVGNSLFASA-N 2 0 336.440 -0.423 20 0 EBADRP C[N@H+](CC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1=O)C1CCC1 ZINC001034958074 731167902 /nfs/dbraw/zinc/16/79/02/731167902.db2.gz YSTFILPCFOOPTA-KGLIPLIRSA-N 2 0 336.436 -0.144 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CCCN2C(=O)C23CC[NH+](CC2)C3)nc1=O ZINC001035102378 731186382 /nfs/dbraw/zinc/18/63/82/731186382.db2.gz GCXOTGYPOIJIDK-GFCCVEGCSA-N 2 0 334.424 -0.715 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](O)(CNC(=O)CCc2ncc[nH]2)C1 ZINC001039591719 731456044 /nfs/dbraw/zinc/45/60/44/731456044.db2.gz WVHBOYHWROSVJN-DYVFJYSZSA-N 2 0 349.435 -0.484 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001039788267 731535585 /nfs/dbraw/zinc/53/55/85/731535585.db2.gz XPCIEMXIERLCSD-QGZVFWFLSA-N 2 0 340.468 -0.496 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001040098759 731597023 /nfs/dbraw/zinc/59/70/23/731597023.db2.gz FCERUVFPUWOXKE-YOEHRIQHSA-N 2 0 340.468 -0.500 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001040103936 731600611 /nfs/dbraw/zinc/60/06/11/731600611.db2.gz HUHSJOHVCLIJTO-KRWDZBQOSA-N 2 0 340.468 -0.498 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001040198047 731639842 /nfs/dbraw/zinc/63/98/42/731639842.db2.gz IADFEWBIAGBYEA-PBHICJAKSA-N 2 0 342.484 -0.252 20 0 EBADRP CCC[N@H+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040447791 731737661 /nfs/dbraw/zinc/73/76/61/731737661.db2.gz UQGCVLSSYIMAPU-QGZVFWFLSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001040721237 731847034 /nfs/dbraw/zinc/84/70/34/731847034.db2.gz PUNOFDPVPSLETF-YOEHRIQHSA-N 2 0 340.468 -0.498 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040797136 731878470 /nfs/dbraw/zinc/87/84/70/731878470.db2.gz AXADDCXIRHTUHC-MRXNPFEDSA-N 2 0 328.457 -0.641 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040797490 731878606 /nfs/dbraw/zinc/87/86/06/731878606.db2.gz HQYFXGGPIYJZNS-QGZVFWFLSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040797211 731878831 /nfs/dbraw/zinc/87/88/31/731878831.db2.gz DNEKCELQEKQZHQ-INIZCTEOSA-N 2 0 328.457 -0.641 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001040798625 731879691 /nfs/dbraw/zinc/87/96/91/731879691.db2.gz SPZIDXRUKGRUSS-MRXNPFEDSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001040799395 731880225 /nfs/dbraw/zinc/88/02/25/731880225.db2.gz ZEKTUKCBBMJJOS-NVXWUHKLSA-N 2 0 340.468 -0.642 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001040801272 731881202 /nfs/dbraw/zinc/88/12/02/731881202.db2.gz PAJYPZNNBKNNDP-WMLDXEAASA-N 2 0 340.468 -0.498 20 0 EBADRP C[N@H+](CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1)C1CCC1 ZINC001042103105 732312582 /nfs/dbraw/zinc/31/25/82/732312582.db2.gz AYBCYAXLIVFCTA-AWEZNQCLSA-N 2 0 338.452 -0.746 20 0 EBADRP C[NH+](C)C1(C(=O)N2CC(O)(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)CCC1 ZINC001042104279 732316148 /nfs/dbraw/zinc/31/61/48/732316148.db2.gz MYXKGLRKZPRRHC-CYBMUJFWSA-N 2 0 338.452 -0.746 20 0 EBADRP Cc1nccn1CC(=O)N1CC(O)(CNC(=O)CCc2ncc[nH]2)C1 ZINC001042830383 732613420 /nfs/dbraw/zinc/61/34/20/732613420.db2.gz UHYIXFQHRVZLRI-UHFFFAOYSA-N 2 0 346.391 -0.763 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001061595282 738634543 /nfs/dbraw/zinc/63/45/43/738634543.db2.gz GXMNQQFYRPTGAS-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043043229 732728747 /nfs/dbraw/zinc/72/87/47/732728747.db2.gz FOCRXRXPJBVVDI-AWEZNQCLSA-N 2 0 340.468 -0.500 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061600145 738641070 /nfs/dbraw/zinc/64/10/70/738641070.db2.gz IJFBMTJUJOTWJV-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)C1(C(=O)N2CC(O)(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001043114783 732763931 /nfs/dbraw/zinc/76/39/31/732763931.db2.gz BJJAWYMDNZHYFA-ZDUSSCGKSA-N 2 0 338.452 -0.888 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001043115325 732764848 /nfs/dbraw/zinc/76/48/48/732764848.db2.gz GYOVEKKAZCAVIY-UONOGXRCSA-N 2 0 338.452 -0.888 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001043157833 732794632 /nfs/dbraw/zinc/79/46/32/732794632.db2.gz MBAQURDPIHSVTH-OAHLLOKOSA-N 2 0 342.484 -0.396 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001043159678 732795649 /nfs/dbraw/zinc/79/56/49/732795649.db2.gz GZHIEDKXMOLLTM-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP Cc1cncn1CC(=O)N(C)C1CN(C[C@@H](O)Cn2cccn2)C1 ZINC001043362925 732891328 /nfs/dbraw/zinc/89/13/28/732891328.db2.gz XUVAEHCOVXRHSV-OAHLLOKOSA-N 2 0 332.408 -0.408 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)C1 ZINC001043429370 732933599 /nfs/dbraw/zinc/93/35/99/732933599.db2.gz AIKRYELVTBWLFV-KGLIPLIRSA-N 2 0 340.468 -0.786 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001061680988 738691864 /nfs/dbraw/zinc/69/18/64/738691864.db2.gz LLPLMDFMHAKXGC-HNNXBMFYSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044000241 733238857 /nfs/dbraw/zinc/23/88/57/733238857.db2.gz CYRCTNVQNQLIFH-UONOGXRCSA-N 2 0 338.452 -0.888 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001044010840 733244437 /nfs/dbraw/zinc/24/44/37/733244437.db2.gz DQIHQCZMVYHPCD-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@@H](C(=O)N1CC(O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1)[NH+](C)C ZINC001044011015 733244599 /nfs/dbraw/zinc/24/45/99/733244599.db2.gz HFMRUCISXIATMW-KBPBESRZSA-N 2 0 340.468 -0.642 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001044027008 733252230 /nfs/dbraw/zinc/25/22/30/733252230.db2.gz JUSOLVRWYPUVRB-UHFFFAOYSA-N 2 0 338.452 -0.888 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001044245855 733337745 /nfs/dbraw/zinc/33/77/45/733337745.db2.gz DBIIPOMWFOQNGC-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)[NH+](C)C ZINC001044291279 733360844 /nfs/dbraw/zinc/36/08/44/733360844.db2.gz PLOLODNMCCOASO-ZIAGYGMSSA-N 2 0 340.468 -0.786 20 0 EBADRP C[C@H]1C[C@@H]([NH2+]Cc2nnnn2C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001044822667 733520357 /nfs/dbraw/zinc/52/03/57/733520357.db2.gz MEKHLVRBXBUITP-STQMWFEESA-N 2 0 333.440 -0.225 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC001061741126 738732808 /nfs/dbraw/zinc/73/28/08/738732808.db2.gz PRJRERXFUSMEBM-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP O=C(N1CCC[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O)C12CC[NH+](CC1)C2 ZINC001045275309 733645404 /nfs/dbraw/zinc/64/54/04/733645404.db2.gz XKDVPHPCIIRBNS-STQMWFEESA-N 2 0 334.420 -0.532 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045417604 733691381 /nfs/dbraw/zinc/69/13/81/733691381.db2.gz JXKLFYLONSSJPX-KBPBESRZSA-N 2 0 340.468 -0.785 20 0 EBADRP C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001045418955 733691949 /nfs/dbraw/zinc/69/19/49/733691949.db2.gz ZZMSTHFEIUYVKB-UHFFFAOYSA-N 2 0 340.468 -0.498 20 0 EBADRP Cn1[nH]c(CN2[C@@H]3CC[C@H]2CN(C(=O)[C@H]2CCC[N@@H+]2C)CC3)nc1=O ZINC001045732823 733763233 /nfs/dbraw/zinc/76/32/33/733763233.db2.gz 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ZINC001046525754 733954222 /nfs/dbraw/zinc/95/42/22/733954222.db2.gz RFSCUSONADNHOP-UHFFFAOYSA-N 2 0 328.457 -0.641 20 0 EBADRP CC[NH+](C)CCC(=O)N1CC(O)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001046526022 733954594 /nfs/dbraw/zinc/95/45/94/733954594.db2.gz YVZDSILYWFWZTH-UHFFFAOYSA-N 2 0 328.457 -0.641 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001046671567 733995545 /nfs/dbraw/zinc/99/55/45/733995545.db2.gz IKIWVSMJLFTWNU-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001046676848 733998517 /nfs/dbraw/zinc/99/85/17/733998517.db2.gz MWSHHICXHNHINA-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1 ZINC001046690743 734006095 /nfs/dbraw/zinc/00/60/95/734006095.db2.gz DJJIXLQHJOUSBX-KBPBESRZSA-N 2 0 340.468 -0.785 20 0 EBADRP C[C@@]1(NC(=O)C23CC[NH+](CC2)C3)CC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001046777110 734025237 /nfs/dbraw/zinc/02/52/37/734025237.db2.gz 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EBADRP C[C@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001047592217 734272045 /nfs/dbraw/zinc/27/20/45/734272045.db2.gz HCEORZRLJVQKAO-JQFCIGGWSA-N 2 0 339.480 -0.007 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC001061898256 738803091 /nfs/dbraw/zinc/80/30/91/738803091.db2.gz HAFVTNLSAXBSNH-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001048061289 734341433 /nfs/dbraw/zinc/34/14/33/734341433.db2.gz AMHQJSQIEKQZKX-STQMWFEESA-N 2 0 336.440 -0.469 20 0 EBADRP CC[C@@H](C(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC001061911883 738815344 /nfs/dbraw/zinc/81/53/44/738815344.db2.gz YXVJOZXTGWYJCF-QLFBSQMISA-N 2 0 340.468 -0.236 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@@H]4CCNC4=O)C[C@@H]3C2)CC[N@@H+]1C ZINC001048828568 734527958 /nfs/dbraw/zinc/52/79/58/734527958.db2.gz YWYOYVCAERKHNB-ZVDSWSACSA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+]([C@@H]4CCC(=O)NC4=O)C[C@@H]3C2)CC[N@@H+]1C ZINC001048829499 734528289 /nfs/dbraw/zinc/52/82/89/734528289.db2.gz PVQIZWLIAQASAY-UXXRCYHCSA-N 2 0 348.447 -0.478 20 0 EBADRP CN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H](C4CC4)[NH+](C)C)C[C@H]3C2)C1=O ZINC001048864385 734543548 /nfs/dbraw/zinc/54/35/48/734543548.db2.gz XNDLODNLWXOPQY-XUWVNRHRSA-N 2 0 334.464 -0.053 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001048874075 734550743 /nfs/dbraw/zinc/55/07/43/734550743.db2.gz QKSFAPNRFJXTKR-GJZGRUSLSA-N 2 0 340.468 -0.548 20 0 EBADRP CNC(=O)[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4ccnc4C3)C[C@H]2C1 ZINC001048908361 734564804 /nfs/dbraw/zinc/56/48/04/734564804.db2.gz RAKVWCZEORRULC-BARDWOONSA-N 2 0 345.447 -0.030 20 0 EBADRP COCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943995 734579014 /nfs/dbraw/zinc/57/90/14/734579014.db2.gz MPXAXXCWYAIUJY-SYGRHNPNSA-N 2 0 335.448 -0.114 20 0 EBADRP 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O=C(N1C[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001049174689 734676278 /nfs/dbraw/zinc/67/62/78/734676278.db2.gz XACVUSMRRLFVKZ-GASCZTMLSA-N 2 0 330.436 -0.236 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001049349252 734713448 /nfs/dbraw/zinc/71/34/48/734713448.db2.gz MNWMSFJAGJMGDE-GJZGRUSLSA-N 2 0 342.484 -0.300 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2O)C1 ZINC001049560133 734754517 /nfs/dbraw/zinc/75/45/17/734754517.db2.gz PDNNZXCPIFUXIG-KKUMJFAQSA-N 2 0 340.468 -0.690 20 0 EBADRP C[C@H](O)C[NH+]1CCN([C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001052108499 735550924 /nfs/dbraw/zinc/55/09/24/735550924.db2.gz NOXDOIIUTVRNLP-HOTGVXAUSA-N 2 0 336.480 -0.319 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)[NH+](C)C ZINC001054296256 736187506 /nfs/dbraw/zinc/18/75/06/736187506.db2.gz CIVUTGVAFJOLNV-NFAWXSAZSA-N 2 0 338.452 -0.042 20 0 EBADRP COCC(=O)NCC[NH+]1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001055495303 736357421 /nfs/dbraw/zinc/35/74/21/736357421.db2.gz OFXYUEQJTKZEDB-UHFFFAOYSA-N 2 0 338.452 -0.575 20 0 EBADRP COCC(=O)NCC[NH+]1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001055495515 736358030 /nfs/dbraw/zinc/35/80/30/736358030.db2.gz XEDMGGHJFREQGY-UHFFFAOYSA-N 2 0 340.468 -0.329 20 0 EBADRP CCOCC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001055505556 736360888 /nfs/dbraw/zinc/36/08/88/736360888.db2.gz MEAZSJPYESCPMO-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP O=C(C[NH+]1CCCC1)NC1CC[NH+](CCNC(=O)c2cn[nH]c2)CC1 ZINC001055530579 736371203 /nfs/dbraw/zinc/37/12/03/736371203.db2.gz OFMFBXBPQCTYRA-UHFFFAOYSA-N 2 0 348.451 -0.184 20 0 EBADRP CO[C@H](C)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055534018 736372302 /nfs/dbraw/zinc/37/23/02/736372302.db2.gz BCWTVLLEBOUCCS-ZIAGYGMSSA-N 2 0 340.468 -0.330 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001056104341 736642927 /nfs/dbraw/zinc/64/29/27/736642927.db2.gz CVLKEGMAJOOVGF-WMLDXEAASA-N 2 0 342.484 -0.252 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCCN(CCO)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001057213031 737087521 /nfs/dbraw/zinc/08/75/21/737087521.db2.gz CLKHBDBTCVXQKV-GJZGRUSLSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC001057636010 737374970 /nfs/dbraw/zinc/37/49/70/737374970.db2.gz LTKKZOMMCGEYGS-QLFBSQMISA-N 2 0 340.468 -0.785 20 0 EBADRP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001057659260 737396615 /nfs/dbraw/zinc/39/66/15/737396615.db2.gz NLHBSYTXEBVHOU-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC001057738576 737427584 /nfs/dbraw/zinc/42/75/84/737427584.db2.gz BYNPEQDJHAFGGK-RBSFLKMASA-N 2 0 340.468 -0.642 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001057857669 737478001 /nfs/dbraw/zinc/47/80/01/737478001.db2.gz JIOKOPZLJZBTNK-GASCZTMLSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[C@@H](C(=O)NCCN(CCO)C(=O)C[N@H+](C)C(C)C)[NH+](C)C ZINC001057863305 737484373 /nfs/dbraw/zinc/48/43/73/737484373.db2.gz MNIMSWGRAKTSBM-AWEZNQCLSA-N 2 0 330.473 -0.396 20 0 EBADRP C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)C[N@H+](C)C1CCC1 ZINC001057903425 737521901 /nfs/dbraw/zinc/52/19/01/737521901.db2.gz JJDWJFQJXULMFT-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC001057973952 737570165 /nfs/dbraw/zinc/57/01/65/737570165.db2.gz FJDCLZKRHOAHEE-ZIAGYGMSSA-N 2 0 328.457 -0.642 20 0 EBADRP CC[C@H](C(=O)N(CCO)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)C ZINC001057975466 737572628 /nfs/dbraw/zinc/57/26/28/737572628.db2.gz SYGHMBJULLBSEU-HUUCEWRRSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[C@H](C(=O)N(CCO)CCNC(=O)CC[N@H+](C)CC)[NH+](C)C ZINC001057975287 737572636 /nfs/dbraw/zinc/57/26/36/737572636.db2.gz MKSWXZITOAYMAV-CQSZACIVSA-N 2 0 330.473 -0.395 20 0 EBADRP CC[C@@H](C(=O)NCCN(CCO)C(=O)C1CC[NH+](C)CC1)[NH+](C)C ZINC001057994377 737582435 /nfs/dbraw/zinc/58/24/35/737582435.db2.gz VVQQBNYHYHFHSV-HNNXBMFYSA-N 2 0 342.484 -0.395 20 0 EBADRP C[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001058039304 737602049 /nfs/dbraw/zinc/60/20/49/737602049.db2.gz WEYNRQKUBRZPNG-CQSZACIVSA-N 2 0 328.457 -0.641 20 0 EBADRP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001058163616 737687024 /nfs/dbraw/zinc/68/70/24/737687024.db2.gz QIHYNIQPMTWQFX-UHFFFAOYSA-N 2 0 340.468 -0.639 20 0 EBADRP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)CCCC[NH+](C)C ZINC001058236970 737727143 /nfs/dbraw/zinc/72/71/43/737727143.db2.gz NGADQDUKEIZWAN-UHFFFAOYSA-N 2 0 344.500 -0.003 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)CC[NH+](C)CC ZINC001058253615 737735618 /nfs/dbraw/zinc/73/56/18/737735618.db2.gz ABXNQVHJVBEMMY-UHFFFAOYSA-N 2 0 330.473 -0.393 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001058253963 737735883 /nfs/dbraw/zinc/73/58/83/737735883.db2.gz PISDFWYPNUPBNI-UHFFFAOYSA-N 2 0 342.484 -0.393 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)C[NH+]1CCC[C@@H]1C ZINC001058255062 737736684 /nfs/dbraw/zinc/73/66/84/737736684.db2.gz AQZNPSOQXVQHQV-HNNXBMFYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001058709248 737960502 /nfs/dbraw/zinc/96/05/02/737960502.db2.gz NOQIBXDAGFFPOK-UHFFFAOYSA-N 2 0 342.484 -0.393 20 0 EBADRP C[C@@H](Cc1c[nH]cn1)C(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058710573 737961080 /nfs/dbraw/zinc/96/10/80/737961080.db2.gz GPSYZROXLWMHEW-ZDUSSCGKSA-N 2 0 339.440 -0.523 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)CC[N@@H+]1C ZINC001058710976 737961931 /nfs/dbraw/zinc/96/19/31/737961931.db2.gz XLRQOGUDMHEIQW-ZIAGYGMSSA-N 2 0 328.457 -0.785 20 0 EBADRP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001058712320 737962674 /nfs/dbraw/zinc/96/26/74/737962674.db2.gz SAVUOPYOWUBNQG-UHFFFAOYSA-N 2 0 328.457 -0.641 20 0 EBADRP CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)C[NH+]1CCC[C@H]1C ZINC001058815910 738003338 /nfs/dbraw/zinc/00/33/38/738003338.db2.gz ABRGSRXJRGLIJN-OAHLLOKOSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)C[NH+](C)C(C)C ZINC001058817193 738004135 /nfs/dbraw/zinc/00/41/35/738004135.db2.gz ANXUVDOUVDNMJY-UHFFFAOYSA-N 2 0 330.473 -0.395 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)CCC[NH+](C)C ZINC001058844068 738023272 /nfs/dbraw/zinc/02/32/72/738023272.db2.gz SEGOPUHRIJTOBH-OAHLLOKOSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[C@H](C(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)C ZINC001058845170 738024730 /nfs/dbraw/zinc/02/47/30/738024730.db2.gz GVAVTNBDGPVIKY-LSDHHAIUSA-N 2 0 342.484 -0.395 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC001058849363 738031696 /nfs/dbraw/zinc/03/16/96/738031696.db2.gz SMUAVQKPVUWLEG-HUUCEWRRSA-N 2 0 342.484 -0.539 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)CCO1 ZINC001064978373 739456658 /nfs/dbraw/zinc/45/66/58/739456658.db2.gz RDCMQIBBTKJKLT-GJZGRUSLSA-N 2 0 340.468 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ZINC001065570057 739767541 /nfs/dbraw/zinc/76/75/41/739767541.db2.gz HKMHPNZMOWLWRO-UONOGXRCSA-N 2 0 326.441 -0.624 20 0 EBADRP C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001065576422 739772565 /nfs/dbraw/zinc/77/25/65/739772565.db2.gz QKPKPIVNUKAICF-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001065613942 739801915 /nfs/dbraw/zinc/80/19/15/739801915.db2.gz GPFHEJGPNVWVHD-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP CC[C@H](C(=O)N1CCOC2(CN(C(=O)CC[NH+](C)C)C2)C1)[NH+](C)C ZINC001068409155 740315946 /nfs/dbraw/zinc/31/59/46/740315946.db2.gz VVHIDPFJOBLNJR-CQSZACIVSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068992397 740516775 /nfs/dbraw/zinc/51/67/75/740516775.db2.gz JYUQKSQVFHDVBH-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001069014934 740524169 /nfs/dbraw/zinc/52/41/69/740524169.db2.gz NEUQTWKESFVZQA-KBPBESRZSA-N 2 0 338.452 -0.624 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCc1cccc(N2CC[C@H]([NH2+]CCO)C2)n1 ZINC001069838306 740585332 /nfs/dbraw/zinc/58/53/32/740585332.db2.gz SOHYASGJGWPPSQ-JKSUJKDBSA-N 2 0 347.463 -0.047 20 0 EBADRP CC[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@@H]1n1ccnn1 ZINC001070292449 740779296 /nfs/dbraw/zinc/77/92/96/740779296.db2.gz OWVUEHMAVVMJNY-CABCVRRESA-N 2 0 346.439 -0.289 20 0 EBADRP O=C(CC[NH+]1CCCCC1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070333608 740789488 /nfs/dbraw/zinc/78/94/88/740789488.db2.gz JIPUNJBPCAFRJO-CABCVRRESA-N 2 0 336.440 -0.512 20 0 EBADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C23CC[NH+](CC2)C3)[nH]1 ZINC001070357636 740793789 /nfs/dbraw/zinc/79/37/89/740793789.db2.gz XXRABAZXIUDVIO-STQMWFEESA-N 2 0 348.451 -0.001 20 0 EBADRP CC[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1)[NH+](C)C ZINC001071086130 741058104 /nfs/dbraw/zinc/05/81/04/741058104.db2.gz QKMQIMFIXOJCDZ-YCPHGPKFSA-N 2 0 340.468 -0.202 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001072433211 741398768 /nfs/dbraw/zinc/39/87/68/741398768.db2.gz SSJNKRHNUWTYCN-CABCVRRESA-N 2 0 342.484 -0.131 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001072477871 741411047 /nfs/dbraw/zinc/41/10/47/741411047.db2.gz CKCWCHSAPSSCKW-HUUCEWRRSA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NC(=O)COCC[NH+](C)C ZINC001072678168 741459637 /nfs/dbraw/zinc/45/96/37/741459637.db2.gz YVRZZZVRFRLXIV-KBPBESRZSA-N 2 0 328.457 -0.521 20 0 EBADRP CN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001072740665 741468582 /nfs/dbraw/zinc/46/85/82/741468582.db2.gz FJYWUYJFEZCQPF-HNNXBMFYSA-N 2 0 334.464 -0.049 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CC2(C1)CC[N@@H+]([C@@H]1CCNC1=O)C2 ZINC001072743593 741470136 /nfs/dbraw/zinc/47/01/36/741470136.db2.gz VAQAEDXSEZMBFR-LSDHHAIUSA-N 2 0 332.448 -0.249 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2C[N@H+](CCO)CCCO2)n1 ZINC001073603824 741681943 /nfs/dbraw/zinc/68/19/43/741681943.db2.gz PPJVKPSTXDDOEZ-CQSZACIVSA-N 2 0 339.440 -0.742 20 0 EBADRP C[C@H]1CN(C(=O)COCC[NH+](C)C)CC[C@H]1NC(=O)CC[NH+](C)C ZINC001074192710 741856594 /nfs/dbraw/zinc/85/65/94/741856594.db2.gz FWTMVAUQMJZOIZ-LSDHHAIUSA-N 2 0 342.484 -0.131 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001074713180 742083461 /nfs/dbraw/zinc/08/34/61/742083461.db2.gz LXHBIUJFGROMTG-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001076571255 742500260 /nfs/dbraw/zinc/50/02/60/742500260.db2.gz AYBHVYOUSQPILQ-GVDBMIGSSA-N 2 0 347.463 -0.128 20 0 EBADRP Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001077002831 742689822 /nfs/dbraw/zinc/68/98/22/742689822.db2.gz ITJVOTVCWGZFRK-BRWVUGGUSA-N 2 0 347.463 -0.534 20 0 EBADRP O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001077130126 742747202 /nfs/dbraw/zinc/74/72/02/742747202.db2.gz RHQTWHXHJIVZNO-BZUAXINKSA-N 2 0 325.453 -0.063 20 0 EBADRP CC[C@H](C(=O)N[C@@H](C)CCNC(=O)COCC[NH+](C)C)[NH+](C)C ZINC001077494351 743017088 /nfs/dbraw/zinc/01/70/88/743017088.db2.gz KTSYGQIUXNRTHX-UONOGXRCSA-N 2 0 330.473 -0.084 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077678929 743163942 /nfs/dbraw/zinc/16/39/42/743163942.db2.gz BQJXMKIRVINJLH-FVQBIDKESA-N 2 0 325.453 -0.084 20 0 EBADRP CC[C@H](F)CN1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001077817218 743268700 /nfs/dbraw/zinc/26/87/00/743268700.db2.gz SXOKYHHFXZOYEU-RRFJBIMHSA-N 2 0 341.431 -0.032 20 0 EBADRP Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001078005549 743409023 /nfs/dbraw/zinc/40/90/23/743409023.db2.gz DTENDUCADAGTSL-NUEKZKHPSA-N 2 0 335.452 -0.534 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CO)cc3)C[C@H]2O)C1 ZINC001078174383 743515722 /nfs/dbraw/zinc/51/57/22/743515722.db2.gz JSDHRGRBKXHXJG-GVDBMIGSSA-N 2 0 333.432 -0.208 20 0 EBADRP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)NC(=O)COCC[NH+](C)C ZINC001078472996 743665305 /nfs/dbraw/zinc/66/53/05/743665305.db2.gz NAGCSSGQDUGEOS-GJZGRUSLSA-N 2 0 342.484 -0.083 20 0 EBADRP Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001078507542 743684576 /nfs/dbraw/zinc/68/45/76/743684576.db2.gz DNGVAFOBRZEEKP-ZFWWWQNUSA-N 2 0 336.440 -0.526 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(C(=O)Cn4ccnc4)C[C@H]32)C1 ZINC000976860192 803910842 /nfs/dbraw/zinc/91/08/42/803910842.db2.gz DAKNVLRHFMFMNG-WVZRYYJFSA-N 2 0 331.420 -0.202 20 0 EBADRP CC[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2)[NH+](C)C ZINC000976868965 803922926 /nfs/dbraw/zinc/92/29/26/803922926.db2.gz KQFMYMOFDWKSRW-LJISPDSOSA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000977206609 804222685 /nfs/dbraw/zinc/22/26/85/804222685.db2.gz DVNWTPSANTYUGY-SUJAAXHWSA-N 2 0 346.475 -0.147 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCN4CCCC4=O)C[C@H]32)C1 ZINC000979090620 805131010 /nfs/dbraw/zinc/13/10/10/805131010.db2.gz VJELEOJPAGPRTR-YHUYYLMFSA-N 2 0 334.464 -0.146 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCNC3=O)C2)n1 ZINC000983692195 807082997 /nfs/dbraw/zinc/08/29/97/807082997.db2.gz JBTCXBHNAALGPD-IHRRRGAJSA-N 2 0 348.451 -0.569 20 0 EBADRP Cn1nncc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000983715702 807087266 /nfs/dbraw/zinc/08/72/66/807087266.db2.gz IUYASPGXRQMPCJ-IXYNUQLISA-N 2 0 348.451 -0.337 20 0 EBADRP Cn1nncc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000983715706 807087866 /nfs/dbraw/zinc/08/78/66/807087866.db2.gz IUYASPGXRQMPCJ-KQTLUZQSSA-N 2 0 348.451 -0.337 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC000985035088 807430351 /nfs/dbraw/zinc/43/03/51/807430351.db2.gz RLBHYNLSWZIUAD-SYQHCUMBSA-N 2 0 336.436 -0.382 20 0 EBADRP C[N@H+](C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)[C@H]1CCC(=O)NC1=O ZINC000985333544 807487396 /nfs/dbraw/zinc/48/73/96/807487396.db2.gz HLPVNTLXEXMUKY-KBPBESRZSA-N 2 0 336.436 -0.191 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC([N@H+](C)[C@@H](C)C(N)=O)CC1 ZINC000985786409 807582772 /nfs/dbraw/zinc/58/27/72/807582772.db2.gz BUMHGMFNWMBZII-KGLIPLIRSA-N 2 0 340.468 -0.249 20 0 EBADRP C[C@H]1[C@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986815965 807783802 /nfs/dbraw/zinc/78/38/02/807783802.db2.gz TWMDUWDLPRQWEI-DZGCQCFKSA-N 2 0 337.468 -0.068 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)C[NH+]1CCCC1 ZINC000987534184 807953812 /nfs/dbraw/zinc/95/38/12/807953812.db2.gz VJYAGBLLYZQKAZ-KBPBESRZSA-N 2 0 336.436 -0.190 20 0 EBADRP C[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)CN1C(=O)C[NH+]1CCCC1 ZINC000989796084 808597048 /nfs/dbraw/zinc/59/70/48/808597048.db2.gz HEWOFWIREBITAZ-UONOGXRCSA-N 2 0 336.436 -0.190 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC000990507878 808816218 /nfs/dbraw/zinc/81/62/18/808816218.db2.gz IGLIJTGUPVLTCA-CABCVRRESA-N 2 0 338.452 -0.483 20 0 EBADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CCC[N@H+](CCn3cncn3)C2)O1 ZINC001007624295 809952861 /nfs/dbraw/zinc/95/28/61/809952861.db2.gz MILSXTHAWRJDIJ-RBSFLKMASA-N 2 0 336.440 -0.422 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001214755039 810275186 /nfs/dbraw/zinc/27/51/86/810275186.db2.gz PGAKGRIWPFPWPB-GRYCIOLGSA-N 2 0 345.419 -0.702 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215421567 810327234 /nfs/dbraw/zinc/32/72/34/810327234.db2.gz GPQZLBJTZBWQHG-CHWSQXEVSA-N 2 0 341.456 -0.390 20 0 EBADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215453861 810330359 /nfs/dbraw/zinc/33/03/59/810330359.db2.gz VPJZZKIRLRIWFL-TZMCWYRMSA-N 2 0 346.497 -0.686 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215463265 810331288 /nfs/dbraw/zinc/33/12/88/810331288.db2.gz OUSDZSYUNATQKT-CHWSQXEVSA-N 2 0 334.486 -0.686 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001215571640 810336255 /nfs/dbraw/zinc/33/62/55/810336255.db2.gz QHAPKJAPMZDWHO-UTUOFQBUSA-N 2 0 327.429 -0.781 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC001216400844 810371587 /nfs/dbraw/zinc/37/15/87/810371587.db2.gz ASTSQUDMIOZPNX-MGPQQGTHSA-N 2 0 326.441 -0.720 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C)C(=O)NC(N)=O ZINC001216409381 810372517 /nfs/dbraw/zinc/37/25/17/810372517.db2.gz GOHLRYWTQNYRDA-IJLUTSLNSA-N 2 0 337.424 -0.898 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001216510838 810375210 /nfs/dbraw/zinc/37/52/10/810375210.db2.gz ABZSNNKUGXORRE-ZIAGYGMSSA-N 2 0 325.457 -0.210 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216751917 810384525 /nfs/dbraw/zinc/38/45/25/810384525.db2.gz BXHXWSCIBGGJSS-HZSPNIEDSA-N 2 0 346.497 -0.686 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216853902 810396374 /nfs/dbraw/zinc/39/63/74/810396374.db2.gz OGEYMOZCWIOFTN-JHJVBQTASA-N 2 0 341.456 -0.393 20 0 EBADRP CN(C)C(=O)[C@@H]([NH3+])Cc1ccc(O)c(OC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001218082990 810477261 /nfs/dbraw/zinc/47/72/61/810477261.db2.gz UELTYQGSRXNWSY-VWPFQQQWSA-N 2 0 349.431 -0.037 20 0 EBADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218641524 810514912 /nfs/dbraw/zinc/51/49/12/810514912.db2.gz SARPUKVBENDICX-HNNXBMFYSA-N 2 0 342.403 -0.348 20 0 EBADRP O=C(Nc1ncnc2c1ncn2[C@H]1CCCO1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218644960 810515202 /nfs/dbraw/zinc/51/52/02/810515202.db2.gz ZCPRXKZJFNFSNI-WDEREUQCSA-N 2 0 343.391 -0.117 20 0 EBADRP NC(=O)NCCC[C@H]([NH3+])C(=O)N(c1ncccc1N)C1CC[NH2+]CC1 ZINC001218695508 810520110 /nfs/dbraw/zinc/52/01/10/810520110.db2.gz XZTYQMHJVGEPGB-ZDUSSCGKSA-N 2 0 349.439 -0.475 20 0 EBADRP [NH3+]C1CCN(c2ccc(NC(=O)[C@@]34C[NH2+]C[C@@H]3CCN4)cn2)CC1 ZINC001218724581 810523933 /nfs/dbraw/zinc/52/39/33/810523933.db2.gz KIADTYPPWURKQQ-YVEFUNNKSA-N 2 0 330.436 -0.101 20 0 EBADRP [NH3+]C1CCN(c2ccc(NC(=O)C3=NO[C@@H]4C[NH2+]C[C@H]34)cn2)CC1 ZINC001218724815 810524088 /nfs/dbraw/zinc/52/40/88/810524088.db2.gz MMWKJCLVNDDAHT-QWHCGFSZSA-N 2 0 330.392 -0.078 20 0 EBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218726140 810524259 /nfs/dbraw/zinc/52/42/59/810524259.db2.gz GSSZTXRUXAABLW-VXGBXAGGSA-N 2 0 336.396 -0.463 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218727126 810524390 /nfs/dbraw/zinc/52/43/90/810524390.db2.gz MRYZKFDVUDQBMC-NEPJUHHUSA-N 3 0 325.438 -0.220 20 0 EBADRP NS(=O)(=O)c1cncc(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1 ZINC001218750479 810527198 /nfs/dbraw/zinc/52/71/98/810527198.db2.gz HHRAPYCUHFFXMN-GFCCVEGCSA-N 2 0 339.421 -0.458 20 0 EBADRP CCOC(=O)c1ncc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cn1 ZINC001218757642 810527904 /nfs/dbraw/zinc/52/79/04/810527904.db2.gz URCZWLXABLZMSZ-LBPRGKRZSA-N 2 0 336.396 -0.658 20 0 EBADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001218880181 810540646 /nfs/dbraw/zinc/54/06/46/810540646.db2.gz SPOSAMICPGYKJY-UGSOOPFHSA-N 2 0 343.431 -0.378 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001218996774 810552801 /nfs/dbraw/zinc/55/28/01/810552801.db2.gz OKTBVXATIXISTN-CYBMUJFWSA-N 2 0 340.449 -0.078 20 0 EBADRP C[NH2+][C@H](C(=O)Nc1cc2c(cc1OC)[C@@]1(CC[NH2+]C1)C(=O)N2)[C@@H](C)O ZINC001219501250 810723505 /nfs/dbraw/zinc/72/35/05/810723505.db2.gz SDZCMZJFKCDHDJ-ZVTRXGDXSA-N 2 0 348.403 -0.214 20 0 EBADRP C[NH2+][C@H](C(=O)Nc1cc2c(cc1OC)[C@]1(CC[NH2+]C1)C(=O)N2)[C@@H](C)O ZINC001219501249 810724105 /nfs/dbraw/zinc/72/41/05/810724105.db2.gz SDZCMZJFKCDHDJ-PWVDTXNTSA-N 2 0 348.403 -0.214 20 0 EBADRP COC[C@H]([NH3+])C(=O)Nc1cc2c(cc1OC)[C@@]1(CC[NH2+]C1)C(=O)N2 ZINC001219500718 810724116 /nfs/dbraw/zinc/72/41/16/810724116.db2.gz HHIIABYVRBIJRX-QFYYESIMSA-N 2 0 334.376 -0.209 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2 ZINC001219542995 810742548 /nfs/dbraw/zinc/74/25/48/810742548.db2.gz ZTOXUOCACXWLHP-DVOMOZLQSA-N 3 0 345.447 -0.177 20 0 EBADRP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219620016 810774377 /nfs/dbraw/zinc/77/43/77/810774377.db2.gz UGIHLTGMDBIUDN-JRPNMDOOSA-N 2 0 333.404 -0.386 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1 ZINC001219640752 810782914 /nfs/dbraw/zinc/78/29/14/810782914.db2.gz BSOKSVRYLDZFHS-MJBXVCDLSA-N 2 0 343.493 -0.237 20 0 EBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC[C@H]2C[NH2+]C[C@@H](C)C2)COC1(C)C ZINC001219650694 810786225 /nfs/dbraw/zinc/78/62/25/810786225.db2.gz PSCNVTFXVPPOMI-RVMXOQNASA-N 2 0 326.441 -0.341 20 0 EBADRP COC(=O)c1csc(CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)n1 ZINC001219669022 810790438 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JSXCQJDOAAQQBL-VQHPVUNQSA-N 2 0 335.496 -0.530 20 0 EBADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001219764675 810831987 /nfs/dbraw/zinc/83/19/87/810831987.db2.gz JSXCQJDOAAQQBL-QZWWFDLISA-N 2 0 335.496 -0.530 20 0 EBADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001219765063 810832396 /nfs/dbraw/zinc/83/23/96/810832396.db2.gz TYWWIAXEIPLJMH-XLMAVXFVSA-N 2 0 336.480 -0.055 20 0 EBADRP NC(=O)NCCC[C@H]([NH3+])C(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001219788952 810841230 /nfs/dbraw/zinc/84/12/30/810841230.db2.gz TZDVNEHQJJFPFJ-JSGCOSHPSA-N 2 0 336.440 -0.510 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001219790898 810843013 /nfs/dbraw/zinc/84/30/13/810843013.db2.gz MFEZHSNWRJXNOT-RHSMWYFYSA-N 3 0 348.495 -0.536 20 0 EBADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)[C@@H]1C[NH2+]C[C@H]2CCO[C@@H]21 ZINC001219796208 810846474 /nfs/dbraw/zinc/84/64/74/810846474.db2.gz QWOSEIXQANNOIO-XYPHTWIQSA-N 3 0 336.480 -0.057 20 0 EBADRP C[N@@H+]1C[C@H](C(=O)NCc2noc3c2C[NH2+]CC3)OC2(CC[NH2+]CC2)C1 ZINC001219808959 810853754 /nfs/dbraw/zinc/85/37/54/810853754.db2.gz AMKMWROSKZAQCU-OAHLLOKOSA-N 2 0 349.435 -0.611 20 0 EBADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1n[nH]c2c1CC[NH2+]C2 ZINC001219843700 810875060 /nfs/dbraw/zinc/87/50/60/810875060.db2.gz BIUHUYBSHZWLBO-MEDUHNTESA-N 2 0 335.408 -0.820 20 0 EBADRP O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1cnc2n1CC[NH2+]CC2 ZINC001219844624 810875170 /nfs/dbraw/zinc/87/51/70/810875170.db2.gz OUAGXWKGZOCZRJ-GUYCJALGSA-N 2 0 349.435 -0.846 20 0 EBADRP O=C(N[C@]12C[C@H]1CN(C(=O)c1ccco1)C2)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219901105 810901171 /nfs/dbraw/zinc/90/11/71/810901171.db2.gz CWKMNPAIJXCKQB-JKDFXYPNSA-N 2 0 330.388 -0.581 20 0 EBADRP [NH3+][C@H](C(=O)N[C@]12C[C@H]1CN(C(=O)c1ccco1)C2)C1CC[NH2+]CC1 ZINC001219901450 810901415 /nfs/dbraw/zinc/90/14/15/810901415.db2.gz JYWBVYWTSGSFQK-JDFRZJQESA-N 2 0 332.404 -0.063 20 0 EBADRP 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COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)CN1 ZINC001219965047 810928929 /nfs/dbraw/zinc/92/89/29/810928929.db2.gz ASRXZHJTMZJCMW-GUTXKFCHSA-N 2 0 338.452 -0.530 20 0 EBADRP COC(=O)C1(NC(=O)[C@H]2CC[C@]3(C2)C[NH2+]CCO3)CC[NH2+]CC1 ZINC001220001118 810941218 /nfs/dbraw/zinc/94/12/18/810941218.db2.gz HZQSTLSNGUABGB-WFASDCNBSA-N 2 0 325.409 -0.444 20 0 EBADRP COC(=O)C1(NC(=O)[C@@H]2CCCN([C@H]3CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001220001270 810941515 /nfs/dbraw/zinc/94/15/15/810941515.db2.gz OILOTUOBIXUJFF-KGLIPLIRSA-N 2 0 338.452 -0.528 20 0 EBADRP CCOC(=O)c1nnc(CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)o1 ZINC001220011174 810946920 /nfs/dbraw/zinc/94/69/20/810946920.db2.gz RKOMKFPSSOADCJ-JTQLQIEISA-N 2 0 337.380 -0.263 20 0 EBADRP N=c1sc2c(n1C(=O)CN1CCCC[C@H]([NH3+])C1=O)CC[C@H]([NH3+])C2 ZINC001220022444 810951467 /nfs/dbraw/zinc/95/14/67/810951467.db2.gz HJHYWVLGPNXCRD-UWVGGRQHSA-N 2 0 337.449 -0.175 20 0 EBADRP [NH3+]CC1(N(Cc2ccccc2)C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)COC1 ZINC001220020720 810952239 /nfs/dbraw/zinc/95/22/39/810952239.db2.gz SKOFNCUCVPFXMW-YJBOKZPZSA-N 2 0 330.432 -0.306 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCC[C@@H]1O ZINC001220098898 810980194 /nfs/dbraw/zinc/98/01/94/810980194.db2.gz ADFXQERIQCAMFN-CRWXNKLISA-N 2 0 326.441 -0.537 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC1(C(F)(F)F)CCOCC1 ZINC001220157098 811002806 /nfs/dbraw/zinc/00/28/06/811002806.db2.gz WUANYCFVSUKPAS-LLVKDONJSA-N 2 0 338.374 -0.036 20 0 EBADRP Cn1ccc(C[N@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)cc1=O ZINC001220228893 811026679 /nfs/dbraw/zinc/02/66/79/811026679.db2.gz BVVUIWVFDLFDMK-CABCVRRESA-N 2 0 348.447 -0.612 20 0 EBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220313441 811051713 /nfs/dbraw/zinc/05/17/13/811051713.db2.gz PZMGDIFYVSGPGW-NHYWBVRUSA-N 2 0 336.440 -0.518 20 0 EBADRP COC(=O)C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)OC(C)(C)C ZINC001220378580 811080685 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XGJHQTOJGIAPFH-VPWBDBDCSA-N 2 0 344.456 -0.683 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036267540 811131609 /nfs/dbraw/zinc/13/16/09/811131609.db2.gz QDDQLQDLSDDTHV-CHWSQXEVSA-N 2 0 348.451 -0.469 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1[NH2+]Cc1nnnn1C ZINC001036268498 811131638 /nfs/dbraw/zinc/13/16/38/811131638.db2.gz RVAZYRMVETXZNB-OLZOCXBDSA-N 2 0 333.440 -0.368 20 0 EBADRP CN(CC[NH3+])CCNC(=O)[C@@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001220517578 811133920 /nfs/dbraw/zinc/13/39/20/811133920.db2.gz RKINOJJRKAKQAK-KRWDZBQOSA-N 2 0 345.491 -0.285 20 0 EBADRP CN(CC[NH3+])CCNC(=O)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001220517412 811134734 /nfs/dbraw/zinc/13/47/34/811134734.db2.gz KKCBNUCJZGNUPX-MAUKXSAKSA-N 2 0 331.464 -0.281 20 0 EBADRP [NH3+]CCOCCOCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001220519151 811135332 /nfs/dbraw/zinc/13/53/32/811135332.db2.gz DCIYTNUKWQDMDB-OAHLLOKOSA-N 3 0 342.484 -0.442 20 0 EBADRP [NH3+]CCOCCOCCNC(=O)[C@@H]([NH3+])CC(=O)OC1CCCCC1 ZINC001220519391 811135658 /nfs/dbraw/zinc/13/56/58/811135658.db2.gz MOMJACIUIKWYKZ-AWEZNQCLSA-N 2 0 345.440 -0.312 20 0 EBADRP CCOCC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220638264 811184471 /nfs/dbraw/zinc/18/44/71/811184471.db2.gz YKCDKIKMTBYHRH-CABCVRRESA-N 2 0 329.441 -0.705 20 0 EBADRP CC1(C)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@@H]1O ZINC001220766060 811233366 /nfs/dbraw/zinc/23/33/66/811233366.db2.gz KZYGKTPPBRSVMR-FQUUOJAGSA-N 2 0 340.468 -0.291 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220793613 811244624 /nfs/dbraw/zinc/24/46/24/811244624.db2.gz FVYAHPKXRSUQCR-XIRDDKMYSA-N 3 0 346.479 -0.401 20 0 EBADRP O=C(N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001220799377 811246279 /nfs/dbraw/zinc/24/62/79/811246279.db2.gz AANAQUZTLDPUQD-OUAUKWLOSA-N 2 0 348.369 -0.241 20 0 EBADRP NC(=O)NCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220801511 811246447 /nfs/dbraw/zinc/24/64/47/811246447.db2.gz ZYEYUFMLEBWOKD-XHNCKOQMSA-N 2 0 325.335 -0.581 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCC(C)C)C[C@@H]1O ZINC001220822074 811255318 /nfs/dbraw/zinc/25/53/18/811255318.db2.gz NFKMGDUTGDXZDF-OAGGEKHMSA-N 2 0 345.484 -0.477 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2CCCCN2[C@@H]2CC[NH2+]C2)C[NH2+]C1 ZINC001220829807 811258891 /nfs/dbraw/zinc/25/88/91/811258891.db2.gz AEPUQGSXOIVNDU-DOMZBBRYSA-N 2 0 336.436 -0.261 20 0 EBADRP [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220870644 811275897 /nfs/dbraw/zinc/27/58/97/811275897.db2.gz NORMJRWPTZGPBO-ZJUUUORDSA-N 2 0 329.198 -0.670 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CC(N)=O)C2)cn1 ZINC001036841307 811281845 /nfs/dbraw/zinc/28/18/45/811281845.db2.gz UPWHAHCGRVFTIM-DZGCQCFKSA-N 2 0 348.451 -0.534 20 0 EBADRP CCN(CC)C(=O)N1CCC(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001220911509 811292209 /nfs/dbraw/zinc/29/22/09/811292209.db2.gz QJCUAJYYNRJPMA-CQSZACIVSA-N 2 0 337.468 -0.162 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CC(N)=O)C2)CC1 ZINC001036858075 811292500 /nfs/dbraw/zinc/29/25/00/811292500.db2.gz SZPUMZGTLGBBJS-DZGCQCFKSA-N 2 0 338.452 -0.495 20 0 EBADRP [NH3+][C@H](C(=O)N[C@@H]1CCN(C(=O)c2ccncc2)C1)C1CC[NH2+]CC1 ZINC001220921094 811294105 /nfs/dbraw/zinc/29/41/05/811294105.db2.gz ZPFGQGUSRROFLF-CABCVRRESA-N 2 0 331.420 -0.261 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220930114 811298224 /nfs/dbraw/zinc/29/82/24/811298224.db2.gz LZVDOOGGJWDTSK-NOLJZWGESA-N 3 0 339.484 -0.766 20 0 EBADRP CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220960934 811314015 /nfs/dbraw/zinc/31/40/15/811314015.db2.gz XTJATECYGNEGEN-NFFDBFGFSA-N 2 0 325.409 -0.730 20 0 EBADRP [NH3+]C1(C(=O)NCc2ccccc2)CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC001220970831 811317107 /nfs/dbraw/zinc/31/71/07/811317107.db2.gz JCJYDKBZWXGXED-HUUCEWRRSA-N 2 0 346.431 -0.797 20 0 EBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001220971069 811317867 /nfs/dbraw/zinc/31/78/67/811317867.db2.gz SEHJJZPACBCLGA-GJZGRUSLSA-N 2 0 345.447 -0.831 20 0 EBADRP O=C(NCc1cccc(N2CCOCC2=O)c1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220990729 811331004 /nfs/dbraw/zinc/33/10/04/811331004.db2.gz WSWGRGQWFCPGCR-HNNXBMFYSA-N 2 0 344.415 -0.525 20 0 EBADRP COC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C1CC1 ZINC001221012758 811345113 /nfs/dbraw/zinc/34/51/13/811345113.db2.gz AWBVHGRUOUXHMA-KKUMJFAQSA-N 2 0 340.468 -0.025 20 0 EBADRP COc1cccc(CNC(=O)CNC(=O)[C@@H]([NH3+])CSCC[NH3+])c1 ZINC001221060813 811357386 /nfs/dbraw/zinc/35/73/86/811357386.db2.gz PSAABRBFPOJGBB-ZDUSSCGKSA-N 2 0 340.449 -0.553 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)C23CC[NH+](CC2)C3)nc1=O ZINC001037116568 811370085 /nfs/dbraw/zinc/37/00/85/811370085.db2.gz DGAKWZUDXLMJJI-QWHCGFSZSA-N 2 0 348.451 -0.421 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)C23CC[NH+](CC2)C3)nc1=O ZINC001037116567 811370142 /nfs/dbraw/zinc/37/01/42/811370142.db2.gz DGAKWZUDXLMJJI-OLZOCXBDSA-N 2 0 348.451 -0.421 20 0 EBADRP O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001221121327 811384257 /nfs/dbraw/zinc/38/42/57/811384257.db2.gz ASFCPVMALIMFDA-AWEZNQCLSA-N 2 0 329.404 -0.745 20 0 EBADRP COCCC1([NH3+])CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001221136635 811387687 /nfs/dbraw/zinc/38/76/87/811387687.db2.gz RVMWPPDJHSEVQM-CQSZACIVSA-N 3 0 327.473 -0.907 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ncccc12 ZINC001221187907 811409849 /nfs/dbraw/zinc/40/98/49/811409849.db2.gz KBPCLUDZFKZQLC-STQMWFEESA-N 2 0 333.392 -0.171 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1ccc(-n2ccnn2)cc1 ZINC001221339556 811444933 /nfs/dbraw/zinc/44/49/33/811444933.db2.gz KMSHWTMWOGEINX-INIZCTEOSA-N 2 0 343.435 -0.366 20 0 EBADRP COC(=O)C12CCC(NC(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)(CC1)C2 ZINC001221365289 811445966 /nfs/dbraw/zinc/44/59/66/811445966.db2.gz AIIRLNMFCWRXQH-NVPAJSRCSA-N 2 0 338.452 -0.271 20 0 EBADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001221365456 811446465 /nfs/dbraw/zinc/44/64/65/811446465.db2.gz DAWKKIVRRRJEMG-IJLUTSLNSA-N 2 0 333.429 -0.783 20 0 EBADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)c1ccc2c(c1)[C@H]1C[NH2+]C[C@@H]1NC2=O ZINC001221372293 811447739 /nfs/dbraw/zinc/44/77/39/811447739.db2.gz VCZMYBSHFAPHIO-APIJFGDWSA-N 2 0 332.379 -0.085 20 0 EBADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1 ZINC001221369034 811447811 /nfs/dbraw/zinc/44/78/11/811447811.db2.gz JYBGRTSGEDOTMT-BZPMIXESSA-N 2 0 348.382 -0.180 20 0 EBADRP NC1=CC=C(C2CCN(C(=O)CN3CCCC[C@H]([NH3+])C3=O)CC2)[NH2+]C1 ZINC001221390562 811448859 /nfs/dbraw/zinc/44/88/59/811448859.db2.gz FNJFIGZMDWVYBL-HNNXBMFYSA-N 2 0 347.463 -0.106 20 0 EBADRP Cn1ncc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c(Br)c1=O ZINC001221401945 811451191 /nfs/dbraw/zinc/45/11/91/811451191.db2.gz RRORQNPPQBCRFV-ZETCQYMHSA-N 2 0 342.197 -0.710 20 0 EBADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)[C@H](C)C1 ZINC001221408514 811452340 /nfs/dbraw/zinc/45/23/40/811452340.db2.gz JYTFNPCXDUEEAJ-BMFZPTHFSA-N 3 0 325.501 -0.028 20 0 EBADRP C[N@@H+]1C[C@H](C(=O)N[C@@H](C2CCC2)C2C[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001221408250 811452378 /nfs/dbraw/zinc/45/23/78/811452378.db2.gz HNOHMWGQZOPOST-CVEARBPZSA-N 3 0 336.480 -0.057 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772748 811531830 /nfs/dbraw/zinc/53/18/30/811531830.db2.gz LFBRCRXDRSZJDM-QLFBSQMISA-N 2 0 325.453 -0.132 20 0 EBADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079723703 811686257 /nfs/dbraw/zinc/68/62/57/811686257.db2.gz FWQKIVGJDVZBJO-KBUPBQIOSA-N 2 0 337.468 -0.212 20 0 EBADRP C[N@H+](CC(=O)NCC1CC[NH+](CC(=O)NC(N)=O)CC1)C1CCC1 ZINC001223487941 811710070 /nfs/dbraw/zinc/71/00/70/811710070.db2.gz UMTVGHLYOSPWPR-UHFFFAOYSA-N 2 0 339.440 -0.506 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCOCCO)[C@H]3C2)C1 ZINC001224129621 811746544 /nfs/dbraw/zinc/74/65/44/811746544.db2.gz JXWLPCMZYGUKGU-OAGGEKHMSA-N 2 0 325.453 -0.130 20 0 EBADRP C[NH+](C)CCC(=O)NCC1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC001224346742 811758944 /nfs/dbraw/zinc/75/89/44/811758944.db2.gz QNNUZMUAIIDQHL-UHFFFAOYSA-N 2 0 338.452 -0.085 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224346983 811759143 /nfs/dbraw/zinc/75/91/43/811759143.db2.gz VJTDXXYOQJGOLA-GFCCVEGCSA-N 2 0 341.456 -0.390 20 0 EBADRP CC[C@@H](C(=O)NCC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1)[NH+](C)C ZINC001224583388 811767641 /nfs/dbraw/zinc/76/76/41/811767641.db2.gz RYDKNRKTFGKHKR-KBPBESRZSA-N 2 0 338.452 -0.040 20 0 EBADRP CNC(=O)C[NH+]1CCC(CNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001225020150 811787249 /nfs/dbraw/zinc/78/72/49/811787249.db2.gz QDBUSCNPSLBEJX-UHFFFAOYSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC001225080283 811791565 /nfs/dbraw/zinc/79/15/65/811791565.db2.gz IJWQHMMWVAHFHT-LBPRGKRZSA-N 2 0 341.456 -0.260 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001227081947 811902802 /nfs/dbraw/zinc/90/28/02/811902802.db2.gz ANWCLVSLPNGFIM-UPJWGTAASA-N 2 0 339.440 -0.317 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(N(CC)C(=O)COCC[NH+](C)C)C1 ZINC001080138874 811913411 /nfs/dbraw/zinc/91/34/11/811913411.db2.gz RSXLCCPPKXUNSS-UHFFFAOYSA-N 2 0 342.484 -0.034 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001230150038 812080987 /nfs/dbraw/zinc/08/09/87/812080987.db2.gz VEALQCARJMBIBF-MGPQQGTHSA-N 2 0 326.441 -0.543 20 0 EBADRP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+](Cc1cnc3n1CCNC3)C2 ZINC001235334401 812482570 /nfs/dbraw/zinc/48/25/70/812482570.db2.gz FBIQPMQIXYAFBX-PXMRGAAZSA-N 2 0 345.447 -0.183 20 0 EBADRP COc1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc(O)c1OC ZINC001235870029 812514641 /nfs/dbraw/zinc/51/46/41/812514641.db2.gz KMHQCHWVWBMXKV-UHFFFAOYSA-N 2 0 338.452 -0.006 20 0 EBADRP COC(=O)Cc1ccccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870368 812514749 /nfs/dbraw/zinc/51/47/49/812514749.db2.gz LVFASWVBSNQJRX-UHFFFAOYSA-N 2 0 334.464 -0.014 20 0 EBADRP CNc1nc(Cl)ncc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235872028 812514803 /nfs/dbraw/zinc/51/48/03/812514803.db2.gz YMFPYGINHVFOAG-UHFFFAOYSA-N 2 0 327.864 -0.244 20 0 EBADRP COC(=O)c1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cn1C ZINC001236307016 812515422 /nfs/dbraw/zinc/51/54/22/812515422.db2.gz BSLVFAMBXVLZJO-UHFFFAOYSA-N 2 0 339.440 -0.573 20 0 EBADRP COC(=O)CC1(NS(=O)(=O)CC2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001238807564 812532345 /nfs/dbraw/zinc/53/23/45/812532345.db2.gz HYLNZXYPVRGIMD-UHFFFAOYSA-N 2 0 333.454 -0.409 20 0 EBADRP [NH3+]CCC[C@H](NS(=O)(=O)CC[NH3+])C(=O)OCc1ccccc1 ZINC001238841047 812533636 /nfs/dbraw/zinc/53/36/36/812533636.db2.gz XWMPGKPRUSSOOW-ZDUSSCGKSA-N 2 0 329.422 -0.285 20 0 EBADRP [NH3+]CCC[NH2+]CCCNS(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC001238878529 812534545 /nfs/dbraw/zinc/53/45/45/812534545.db2.gz HOZGGOXFGUYHBR-UHFFFAOYSA-N 2 0 326.422 -0.212 20 0 EBADRP CN1c2ccc(S(=O)(=O)NCCC[NH2+]CCC[NH3+])cc2CC1=O ZINC001238878744 812534831 /nfs/dbraw/zinc/53/48/31/812534831.db2.gz LCQRHFRJQSTMSS-UHFFFAOYSA-N 2 0 340.449 -0.188 20 0 EBADRP CCOC(=O)[C@@]12CN(S(=O)(=O)[C@@H]3CC[NH2+]C3)C[C@@H]1C[NH2+]CCC2 ZINC001238996066 812538083 /nfs/dbraw/zinc/53/80/83/812538083.db2.gz OKAIVIONLPVPAO-GUTXKFCHSA-N 2 0 345.465 -0.457 20 0 EBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCC(N2CC[NH2+]CC2)CC1 ZINC001239117723 812545103 /nfs/dbraw/zinc/54/51/03/812545103.db2.gz ZXGFRWGJGJRIJL-UHFFFAOYSA-N 2 0 330.498 -0.315 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)CCC(F)(F)F ZINC001239130401 812546032 /nfs/dbraw/zinc/54/60/32/812546032.db2.gz BDGNKUKXDGJEII-UHFFFAOYSA-N 2 0 348.391 -0.616 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1ccccc1 ZINC001239131898 812547295 /nfs/dbraw/zinc/54/72/95/812547295.db2.gz XAUORESWGDUJCE-UHFFFAOYSA-N 2 0 328.438 -0.509 20 0 EBADRP [NH3+]CCS(=O)(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001239140158 812549443 /nfs/dbraw/zinc/54/94/43/812549443.db2.gz BQFKSLKKVWZRNR-UHFFFAOYSA-N 2 0 348.513 -0.701 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(S(=O)(=O)C1CC[NH2+]CC1)CC2 ZINC001239173505 812549812 /nfs/dbraw/zinc/54/98/12/812549812.db2.gz RMMBZODDRHPQQZ-JSGCOSHPSA-N 2 0 331.438 -0.705 20 0 EBADRP O[C@@H](C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)O1)CC1(O)CC[NH2+]CC1 ZINC001245988251 812558095 /nfs/dbraw/zinc/55/80/95/812558095.db2.gz UZFXNKSBCXKFGM-CABCVRRESA-N 3 0 327.469 -0.257 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CC2(C1)C[NH2+]CCO2 ZINC001246027037 812559901 /nfs/dbraw/zinc/55/99/01/812559901.db2.gz XJBWIGIIYGUADG-LSDHHAIUSA-N 2 0 327.375 -0.130 20 0 EBADRP COCCCN(C[C@H](O)CC1(O)CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001246046538 812561083 /nfs/dbraw/zinc/56/10/83/812561083.db2.gz ROZPUCOZABYKSR-HZPDHXFCSA-N 2 0 329.485 -0.058 20 0 EBADRP Cc1ccccc1OC[C@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246057069 812562389 /nfs/dbraw/zinc/56/23/89/812562389.db2.gz RRZADABRACDWOM-QGZVFWFLSA-N 2 0 336.480 -0.181 20 0 EBADRP COC(=O)[C@H]1CN(C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)C[C@@H]1[NH3+] ZINC001246053537 812562610 /nfs/dbraw/zinc/56/26/10/812562610.db2.gz SBTBUXZQQGWZCJ-ZQDZILKHSA-N 2 0 343.374 -0.372 20 0 EBADRP COC(=O)[C@@H]1CN(C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)C[C@@H]1[NH3+] ZINC001246053535 812562720 /nfs/dbraw/zinc/56/27/20/812562720.db2.gz SBTBUXZQQGWZCJ-CBBWQLFWSA-N 2 0 343.374 -0.372 20 0 EBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)C[C@H]1C(=O)OC ZINC001246083239 812563226 /nfs/dbraw/zinc/56/32/26/812563226.db2.gz NUCFQGIADKSXSL-SUNOKAMTSA-N 2 0 346.399 -0.231 20 0 EBADRP COC(=O)C1C[C@@H]2CC([NH2+]C[C@]3(O)CC[NH2+]C[C@@H]3F)C[C@H](C1)[NH2+]2 ZINC001246084967 812563273 /nfs/dbraw/zinc/56/32/73/812563273.db2.gz UXWNCLPPQPQGIL-JBXNKAFJSA-N 3 0 329.416 -0.289 20 0 EBADRP CC[C@]1(C(=O)OC)C[C@H]([NH2+]C[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)CN1 ZINC001246147220 812565881 /nfs/dbraw/zinc/56/58/81/812565881.db2.gz WIRVYJHECPJCPA-XJNFMUPTSA-N 2 0 341.452 -0.345 20 0 EBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CCN1 ZINC001246143903 812566053 /nfs/dbraw/zinc/56/60/53/812566053.db2.gz KCEZHCVJUILAAG-FQLMCAECSA-N 2 0 327.425 -0.735 20 0 EBADRP COC(=O)[C@H](CCCC[NH3+])N[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246152125 812567187 /nfs/dbraw/zinc/56/71/87/812567187.db2.gz LUOUIPIAJQDAPR-AVGNSLFASA-N 2 0 344.481 -0.490 20 0 EBADRP O=C([C@@H]1C[C@@H]([NH2+]C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CN1)N1CCSC1 ZINC001246159032 812567239 /nfs/dbraw/zinc/56/72/39/812567239.db2.gz WGOIUPCIIBCATO-AIEDFZFUSA-N 2 0 340.493 -0.536 20 0 EBADRP O=C([C@@H]1C[C@H](N[C@H]2CO[C@]3(C2)CCC[NH2+]C3)C[NH2+]1)N1CCSC1 ZINC001246255038 812569241 /nfs/dbraw/zinc/56/92/41/812569241.db2.gz IPBHIAZENWXJBE-FQLMCAECSA-N 2 0 340.493 -0.250 20 0 EBADRP O=C([C@@H]1C[C@H]([NH2+]C[C@@H](O)C2CC[NH2+]CC2)CN1)N1CCSC1 ZINC001246225254 812569580 /nfs/dbraw/zinc/56/95/80/812569580.db2.gz DMFUPYWGFBQRRP-MELADBBJSA-N 2 0 328.482 -0.800 20 0 EBADRP c1cnc(N2CCN(C3C[NH+]([C@H]4CCNC5(C[NH2+]C5)C4)C3)CC2)nc1 ZINC001246550722 812574948 /nfs/dbraw/zinc/57/49/48/812574948.db2.gz OPDBCESRXGXFKH-HNNXBMFYSA-N 2 0 343.479 -0.623 20 0 EBADRP O=C([C@@H]1C[C@@H](N2CCC[C@@]3(C[NH2+]CCO3)C2)C[NH2+]1)N1CCSC1 ZINC001246647057 812577886 /nfs/dbraw/zinc/57/78/86/812577886.db2.gz GRRMYARDZVATGC-IJEWVQPXSA-N 2 0 340.493 -0.296 20 0 EBADRP C1[NH2+]CC12C[C@H]([NH+]1CCN(C3=NOC4(C3)CC[NH2+]CC4)CC1)CCO2 ZINC001246668908 812580072 /nfs/dbraw/zinc/58/00/72/812580072.db2.gz PRXIHYZKNRFJDH-OAHLLOKOSA-N 3 0 349.479 -0.019 20 0 EBADRP O=C(CC1CC1)N[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2COC[C@H]12 ZINC001246719466 812583514 /nfs/dbraw/zinc/58/35/14/812583514.db2.gz HBKMMCLGZDUFQN-KLHDSHLOSA-N 2 0 334.464 -0.304 20 0 EBADRP CCOC(=O)[C@]12C[N@@H+]([C@@H]3CCN[C@H](C(=O)OC)C3)C[C@H]1C[NH2+]CC2 ZINC001246856396 812590237 /nfs/dbraw/zinc/59/02/37/812590237.db2.gz VCUDNRKKOOJYSS-VWPFQQQWSA-N 2 0 339.436 -0.245 20 0 EBADRP c1ccc(N2CCN(C3C[NH+]([C@H]4CCNC5(C[NH2+]C5)C4)C3)CC2)nc1 ZINC001246861552 812591505 /nfs/dbraw/zinc/59/15/05/812591505.db2.gz ZBRGPAAFPVPKRU-INIZCTEOSA-N 2 0 342.491 -0.018 20 0 EBADRP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])[C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001246925100 812593313 /nfs/dbraw/zinc/59/33/13/812593313.db2.gz LKVPRMGQEZOVTF-KGLIPLIRSA-N 2 0 338.460 -0.727 20 0 EBADRP CCOC(=O)[C@@H]1C[N@@H+]([C@@H]2CN[C@H](C(=O)OC)C2)CCC12C[NH2+]C2 ZINC001247008120 812595689 /nfs/dbraw/zinc/59/56/89/812595689.db2.gz LRNOKBYRTOBWEG-AVGNSLFASA-N 2 0 325.409 -0.636 20 0 EBADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@@H]1CCC12CC[NH2+]CC2)O3 ZINC001247010068 812596016 /nfs/dbraw/zinc/59/60/16/812596016.db2.gz MNYYVJUIVRMIKX-CXTNEJHOSA-N 2 0 327.450 -0.337 20 0 EBADRP O=C1NC[C@@H](c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)[C@@]12CC[NH2+]C2 ZINC001247648225 812603857 /nfs/dbraw/zinc/60/38/57/812603857.db2.gz DBKAXCLRSZMAKK-GTNSWQLSSA-N 2 0 340.387 -0.030 20 0 EBADRP C[NH+]1CCN(C2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)CC1 ZINC001251015581 812614863 /nfs/dbraw/zinc/61/48/63/812614863.db2.gz MDFCZTBVDNEDFU-KRWDZBQOSA-N 2 0 326.485 -0.609 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C[C@H](O)CN1CCOCC1 ZINC001251018536 812616000 /nfs/dbraw/zinc/61/60/00/812616000.db2.gz JONODGNJDWPBQJ-KRWDZBQOSA-N 2 0 330.517 -0.115 20 0 EBADRP C[NH+]1CCC(C[NH+]2CCN(C[C@@H](O)CN3CCOCC3)CC2)CC1 ZINC001251022067 812617298 /nfs/dbraw/zinc/61/72/98/812617298.db2.gz AXUJGVMTJGSTMT-GOSISDBHSA-N 2 0 340.512 -0.361 20 0 EBADRP COC(=O)[C@@H](O)C[N@@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001252415042 812650125 /nfs/dbraw/zinc/65/01/25/812650125.db2.gz OFJGRMKOYQRWSA-HNNXBMFYSA-N 2 0 337.420 -0.656 20 0 EBADRP C[C@@H](CC(=O)N1CCOCC1)[NH2+]CCCOCCOCCC[NH3+] ZINC001256321793 812728995 /nfs/dbraw/zinc/72/89/95/812728995.db2.gz PTKLXQGWLDSPJR-HNNXBMFYSA-N 2 0 331.457 -0.015 20 0 EBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@H](C)CC(=O)N2CCOCC2)O1 ZINC001256326295 812729990 /nfs/dbraw/zinc/72/99/90/812729990.db2.gz LIDCDUWNWNZEPA-IXYNUQLISA-N 2 0 329.441 -0.062 20 0 EBADRP COC(=O)CNC(=O)[C@H](C)[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256685270 812737372 /nfs/dbraw/zinc/73/73/72/812737372.db2.gz CEVVNWCCFZYALA-HSBZDZAISA-N 2 0 327.425 -0.103 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)n1 ZINC001261554689 812937273 /nfs/dbraw/zinc/93/72/73/812937273.db2.gz KKVMOLZRIJKWET-QMMMGPOBSA-N 2 0 336.318 -0.611 20 0 EBADRP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])N1CC[NH+](C)CC1 ZINC001262066271 813031978 /nfs/dbraw/zinc/03/19/78/813031978.db2.gz WWBUKHZEXIKQKH-CABCVRRESA-N 2 0 339.484 -0.676 20 0 EBADRP CCC[NH+]1CCC(NC(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)CC1 ZINC001262542274 813090924 /nfs/dbraw/zinc/09/09/24/813090924.db2.gz VSMBNGJOPKXGNF-UHFFFAOYSA-N 2 0 340.468 -0.057 20 0 EBADRP CN(C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1(C[NH3+])CCOCC1 ZINC001262544799 813091896 /nfs/dbraw/zinc/09/18/96/813091896.db2.gz KRMZBSXKVCANIV-ZIAGYGMSSA-N 2 0 338.452 -0.304 20 0 EBADRP CN(CCOCC[N@H+](C)[C@H]1CCN(C)C1=O)C(=O)C[NH+]1CCCC1 ZINC001264111210 813155427 /nfs/dbraw/zinc/15/54/27/813155427.db2.gz BMTHPIBRURMENM-HNNXBMFYSA-N 2 0 340.468 -0.280 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001081554074 813169949 /nfs/dbraw/zinc/16/99/49/813169949.db2.gz REAGWNVXNKTRFA-HUUCEWRRSA-N 2 0 342.484 -0.396 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)CCN2CCNC2=O)CC[N@@H+]1C ZINC001264987993 813212720 /nfs/dbraw/zinc/21/27/20/813212720.db2.gz UKSCBKFATYEHIJ-ZIAGYGMSSA-N 2 0 325.457 -0.210 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001081575738 813217052 /nfs/dbraw/zinc/21/70/52/813217052.db2.gz YHTWIPJSXWBOIV-GJZGRUSLSA-N 2 0 340.468 -0.785 20 0 EBADRP CNC(=O)NC(=O)C[N@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001265031922 813224543 /nfs/dbraw/zinc/22/45/43/813224543.db2.gz CPXRSJKDXITJGQ-CYBMUJFWSA-N 2 0 329.445 -0.534 20 0 EBADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081635157 813339922 /nfs/dbraw/zinc/33/99/22/813339922.db2.gz QIKBAVUJUGLTNC-HUUCEWRRSA-N 2 0 342.484 -0.395 20 0 EBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCCS(=O)(=O)N(C)C ZINC001265775272 813368263 /nfs/dbraw/zinc/36/82/63/813368263.db2.gz OXUAOUSWKVKVEW-BFHYXJOUSA-N 2 0 348.513 -0.298 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001266005506 813437248 /nfs/dbraw/zinc/43/72/48/813437248.db2.gz ZQPKGDNCXONHIP-KBPBESRZSA-N 2 0 331.482 -0.047 20 0 EBADRP C[NH+](C)CCCCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081732165 813486821 /nfs/dbraw/zinc/48/68/21/813486821.db2.gz DNQATCPZBIGQIC-GJZGRUSLSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081773641 813537648 /nfs/dbraw/zinc/53/76/48/813537648.db2.gz DNHMPDZDIAQKCJ-UONOGXRCSA-N 2 0 328.457 -0.785 20 0 EBADRP CC[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001081774928 813543102 /nfs/dbraw/zinc/54/31/02/813543102.db2.gz VZTSECREEUGBSF-GJZGRUSLSA-N 2 0 342.484 -0.395 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001266827301 813679185 /nfs/dbraw/zinc/67/91/85/813679185.db2.gz RDYUWYOEHISCFQ-CQSZACIVSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCN1C(=O)CNC1=O ZINC001266960013 813711373 /nfs/dbraw/zinc/71/13/73/813711373.db2.gz AUWLTIATKFZATI-LBPRGKRZSA-N 2 0 339.440 -0.493 20 0 EBADRP C[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001267003026 813729996 /nfs/dbraw/zinc/72/99/96/813729996.db2.gz YMBIKJGHQUNSBN-ZIAGYGMSSA-N 2 0 328.457 -0.737 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001267069450 813751144 /nfs/dbraw/zinc/75/11/44/813751144.db2.gz WVLQNBLKXHNQIZ-KBPBESRZSA-N 2 0 336.436 -0.475 20 0 EBADRP C[C@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001267134827 813767475 /nfs/dbraw/zinc/76/74/75/813767475.db2.gz YAJIMEWLQNAEIX-CHWSQXEVSA-N 2 0 336.436 -0.096 20 0 EBADRP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CCN1C(=O)CNC1=O)[NH+](C)C ZINC001267275985 813815894 /nfs/dbraw/zinc/81/58/94/813815894.db2.gz LMPZTCOEHCDFJS-OLZOCXBDSA-N 2 0 339.440 -0.541 20 0 EBADRP CC(=O)NCCOCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267306591 813837623 /nfs/dbraw/zinc/83/76/23/813837623.db2.gz WLSNNEQQJCTZQL-HOTGVXAUSA-N 2 0 340.468 -0.471 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001267372242 813863494 /nfs/dbraw/zinc/86/34/94/813863494.db2.gz JLCQLUOHELCXEW-CYBMUJFWSA-N 2 0 341.456 -0.247 20 0 EBADRP CN(CC[NH2+]CCN1CCCS1(=O)=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267469615 813907741 /nfs/dbraw/zinc/90/77/41/813907741.db2.gz NKFAWAUFKMPTPC-ZDUSSCGKSA-N 2 0 332.470 -0.978 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CCN1C(=O)CNC1=O ZINC001267474324 813911458 /nfs/dbraw/zinc/91/14/58/813911458.db2.gz PTJLZFPDJVCJQC-CYBMUJFWSA-N 2 0 339.440 -0.539 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001082863781 814017923 /nfs/dbraw/zinc/01/79/23/814017923.db2.gz ZENQMDRPKLBQPP-JHJVBQTASA-N 2 0 334.420 -0.676 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001267969594 814079433 /nfs/dbraw/zinc/07/94/33/814079433.db2.gz HKKDSJJQKSHPCU-CYBMUJFWSA-N 2 0 339.440 -0.539 20 0 EBADRP CS(=O)(=O)NCC[NH2+]C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001267971182 814081092 /nfs/dbraw/zinc/08/10/92/814081092.db2.gz YSLKWMFHDDDTPV-CYBMUJFWSA-N 2 0 344.481 -0.788 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001268152344 814135794 /nfs/dbraw/zinc/13/57/94/814135794.db2.gz XHKBYSVFBXSJPZ-CHWSQXEVSA-N 2 0 339.440 -0.364 20 0 EBADRP CS(=O)(=O)NCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001268288650 814173246 /nfs/dbraw/zinc/17/32/46/814173246.db2.gz CKZOVVUIQVQUFP-UONOGXRCSA-N 2 0 346.497 -0.494 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001268371359 814225231 /nfs/dbraw/zinc/22/52/31/814225231.db2.gz QOBMRHJJQSZWGX-CHWSQXEVSA-N 2 0 338.456 -0.033 20 0 EBADRP O=C(N1CCO[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249420 814237147 /nfs/dbraw/zinc/23/71/47/814237147.db2.gz DOXFQIZXNNJYFX-QLFBSQMISA-N 2 0 348.447 -0.728 20 0 EBADRP CCN(CC[NH2+]CCN1CCNC1=O)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001268494363 814264031 /nfs/dbraw/zinc/26/40/31/814264031.db2.gz HMHZHRNLVSDNCJ-KRWDZBQOSA-N 2 0 337.468 -0.064 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]CC(=O)NCC(F)(F)F)C1 ZINC001268626031 814325181 /nfs/dbraw/zinc/32/51/81/814325181.db2.gz LYNCUEANJLWMMA-KXMPLOMGSA-N 2 0 336.358 -0.121 20 0 EBADRP C[C@@H](C[NH2+]CCN1C(=O)NC(C)(C)C1=O)NC(=O)C[NH+]1CCCC1 ZINC001268715799 814364138 /nfs/dbraw/zinc/36/41/38/814364138.db2.gz TWRKZDLSTRWCMY-LBPRGKRZSA-N 2 0 339.440 -0.493 20 0 EBADRP C[C@@H](C[N@H+](C)CCCN1C(=O)CNC1=O)NC(=O)[C@H]1CCC[NH+]1C ZINC001268726951 814365086 /nfs/dbraw/zinc/36/50/86/814365086.db2.gz URCQPLLTNDSKCQ-QWHCGFSZSA-N 2 0 339.440 -0.541 20 0 EBADRP CN(CCC[NH2+]Cc1nnc2n1CCOC2)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268784275 814384945 /nfs/dbraw/zinc/38/49/45/814384945.db2.gz SEWWALCCVUHIGK-CYBMUJFWSA-N 2 0 336.440 -0.159 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268792719 814387987 /nfs/dbraw/zinc/38/79/87/814387987.db2.gz CAKAYGKZYPGVKA-VXGBXAGGSA-N 2 0 327.429 -0.780 20 0 EBADRP C[C@@H](F)CC[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083470238 814465147 /nfs/dbraw/zinc/46/51/47/814465147.db2.gz GVOCGWPWGZAWGQ-YUELXQCFSA-N 2 0 341.431 -0.032 20 0 EBADRP O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001083523207 814521747 /nfs/dbraw/zinc/52/17/47/814521747.db2.gz SEBCCUITIINPFV-OAGGEKHMSA-N 2 0 341.452 -0.827 20 0 EBADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)C[NH2+]CCN1C(=O)CCC1=O ZINC001270418974 815772108 /nfs/dbraw/zinc/77/21/08/815772108.db2.gz FBEGZHMTRGFJMC-ZDUSSCGKSA-N 2 0 338.452 -0.038 20 0 EBADRP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C[NH2+]CCN1CCNC1=O ZINC001270517609 815804242 /nfs/dbraw/zinc/80/42/42/815804242.db2.gz RTYIVROAUYGDLT-UONOGXRCSA-N 2 0 325.457 -0.305 20 0 EBADRP C[NH+](C)CCN1C[C@@]2(CCN(C(=O)C3([NH+](C)C)CC3)C2)OCC1=O ZINC001270731929 815871225 /nfs/dbraw/zinc/87/12/25/815871225.db2.gz KNCZEHDYIVRZFI-MRXNPFEDSA-N 2 0 338.452 -0.528 20 0 EBADRP C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001271013545 815957074 /nfs/dbraw/zinc/95/70/74/815957074.db2.gz PKBQSIYOYGVDGI-STQMWFEESA-N 2 0 339.440 -0.541 20 0 EBADRP C[C@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001271013541 815957424 /nfs/dbraw/zinc/95/74/24/815957424.db2.gz PKBQSIYOYGVDGI-OLZOCXBDSA-N 2 0 339.440 -0.541 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@H+](CCCO)C[C@H]21 ZINC001084834110 815991443 /nfs/dbraw/zinc/99/14/43/815991443.db2.gz LVEYTZHJDRXBQW-BZUAXINKSA-N 2 0 325.453 -0.130 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](CCN4CCNC4=O)[C@H]3C2)C1 ZINC001085093247 816021427 /nfs/dbraw/zinc/02/14/27/816021427.db2.gz OQRDWPGMFZUQKF-PMPSAXMXSA-N 2 0 349.479 -0.114 20 0 EBADRP C[NH+]1CCC(O)(C(=O)N2CC3(C2)CC[N@H+](Cc2cn[nH]c2)C3)CC1 ZINC001271802269 816216578 /nfs/dbraw/zinc/21/65/78/816216578.db2.gz TYAYTGOAERALKF-UHFFFAOYSA-N 2 0 333.436 -0.099 20 0 EBADRP O=C(NC[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001086087059 816225817 /nfs/dbraw/zinc/22/58/17/816225817.db2.gz NYDRBOMBCSYOQT-ATGSNQNLSA-N 2 0 348.447 -0.382 20 0 EBADRP Cn1cnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001086091519 816226312 /nfs/dbraw/zinc/22/63/12/816226312.db2.gz BYRFPQWITHYQHZ-LJISPDSOSA-N 2 0 348.451 -0.337 20 0 EBADRP Cn1ncc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)n1 ZINC001086091818 816226565 /nfs/dbraw/zinc/22/65/65/816226565.db2.gz ORXPCIYOILJHQW-LQKXBSAESA-N 2 0 348.451 -0.337 20 0 EBADRP Cn1cnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001086091518 816227094 /nfs/dbraw/zinc/22/70/94/816227094.db2.gz BYRFPQWITHYQHZ-BARDWOONSA-N 2 0 348.451 -0.337 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1)C(N)=O ZINC001086150927 816249344 /nfs/dbraw/zinc/24/93/44/816249344.db2.gz GZANVVRYXUFKOP-ZACYNQELSA-N 2 0 336.436 -0.792 20 0 EBADRP C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)CC3)[C@H]2C1 ZINC001271938560 816258449 /nfs/dbraw/zinc/25/84/49/816258449.db2.gz AQQYCHLETHSLTO-PMPSAXMXSA-N 2 0 346.475 -0.003 20 0 EBADRP CN1CC[NH+](CCCC(=O)N2CC3(CCN3CC[NH+](C)C)C2)CC1 ZINC001272018294 816290840 /nfs/dbraw/zinc/29/08/40/816290840.db2.gz SOHAJXANIVNNBI-UHFFFAOYSA-N 2 0 337.512 -0.138 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001086327902 816298530 /nfs/dbraw/zinc/29/85/30/816298530.db2.gz UHSSXKBWQODHBK-AVGNSLFASA-N 2 0 337.424 -0.883 20 0 EBADRP CN1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCN3CCCC3=O)C2)C1 ZINC001086333575 816300675 /nfs/dbraw/zinc/30/06/75/816300675.db2.gz QLQQCEHHNBRCKV-RBSFLKMASA-N 2 0 338.452 -0.576 20 0 EBADRP O=C(NC[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001086534641 816364574 /nfs/dbraw/zinc/36/45/74/816364574.db2.gz RVBKCHICCAEVRH-AVGNSLFASA-N 2 0 334.420 -0.628 20 0 EBADRP C[NH+]1CCC(C(=O)N(CCO)CC[NH2+]CC(=O)NC2CC2)CC1 ZINC001272251889 816372123 /nfs/dbraw/zinc/37/21/23/816372123.db2.gz MTGPARAEQAWYHL-UHFFFAOYSA-N 2 0 326.441 -0.983 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCNC(=O)NC(C)(C)C ZINC001272378449 816415490 /nfs/dbraw/zinc/41/54/90/816415490.db2.gz CIXPFLAEWGXXPL-CHWSQXEVSA-N 2 0 343.472 -0.755 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086981954 816433240 /nfs/dbraw/zinc/43/32/40/816433240.db2.gz MJOZFYRWNOHEHQ-UONOGXRCSA-N 2 0 348.451 -0.726 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086982614 816433270 /nfs/dbraw/zinc/43/32/70/816433270.db2.gz SYMVRHHOLGOZAK-LZWOXQAQSA-N 2 0 348.451 -0.870 20 0 EBADRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](C[C@H]1CCC(=O)N1)C2 ZINC001272525703 816459669 /nfs/dbraw/zinc/45/96/69/816459669.db2.gz XJBSWIFNMUMHFL-PBHICJAKSA-N 2 0 338.452 -0.623 20 0 EBADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087100888 816465448 /nfs/dbraw/zinc/46/54/48/816465448.db2.gz JOAATKGLWCNOLD-GZBFAFLISA-N 2 0 337.424 -0.026 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CCC2(CN(CC[NH+](C)C)C2)CC1 ZINC001272565930 816478608 /nfs/dbraw/zinc/47/86/08/816478608.db2.gz SRSQOTBXCWUUHM-INIZCTEOSA-N 2 0 337.512 -0.282 20 0 EBADRP CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001087256693 816485179 /nfs/dbraw/zinc/48/51/79/816485179.db2.gz GBVYVBCUMZGPQS-CHWSQXEVSA-N 2 0 335.408 -0.229 20 0 EBADRP COc1ncc(CN2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cn1 ZINC001272739648 816516680 /nfs/dbraw/zinc/51/66/80/816516680.db2.gz HFEPAINWMDJFFH-KRWDZBQOSA-N 2 0 349.435 -0.150 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001272863725 816541414 /nfs/dbraw/zinc/54/14/14/816541414.db2.gz AKLONKMWFNJCGD-QWHCGFSZSA-N 2 0 341.456 -0.199 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001272993824 816565374 /nfs/dbraw/zinc/56/53/74/816565374.db2.gz KJMRZPZLVDNVHO-LLVKDONJSA-N 2 0 327.429 -0.732 20 0 EBADRP CCOC(=O)[C@@H](C)N1C(=O)COCC12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001273031291 816570630 /nfs/dbraw/zinc/57/06/30/816570630.db2.gz UMEVTXMTLSIJKC-CYBMUJFWSA-N 2 0 339.436 -0.149 20 0 EBADRP C[N@H+](CC(=O)N1CCO[C@@H](C[NH2+]CCn2cncn2)C1)C1CCC1 ZINC001273268601 816625391 /nfs/dbraw/zinc/62/53/91/816625391.db2.gz RPVSLLCRLYNENW-HNNXBMFYSA-N 2 0 336.440 -0.421 20 0 EBADRP C[N@H+](CC(=O)N1CCO[C@H](C[NH2+]CCn2cncn2)C1)C1CCC1 ZINC001273268603 816625798 /nfs/dbraw/zinc/62/57/98/816625798.db2.gz RPVSLLCRLYNENW-OAHLLOKOSA-N 2 0 336.440 -0.421 20 0 EBADRP CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088172130 816643100 /nfs/dbraw/zinc/64/31/00/816643100.db2.gz XDUIXJFXHNPLAX-ZNMIVQPWSA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CCN1CCNC1=O ZINC001088571942 816706207 /nfs/dbraw/zinc/70/62/07/816706207.db2.gz SEZSVDDBHCDBPE-BMFZPTHFSA-N 2 0 349.479 -0.068 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CCN1CCNC1=O ZINC001088571943 816706508 /nfs/dbraw/zinc/70/65/08/816706508.db2.gz SEZSVDDBHCDBPE-KBMXLJTQSA-N 2 0 349.479 -0.068 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCN1C(=O)CCC1=O ZINC001089039337 816787164 /nfs/dbraw/zinc/78/71/64/816787164.db2.gz HPGXEKHPVNPHEQ-RDBSUJKOSA-N 2 0 336.436 -0.334 20 0 EBADRP O=C(Cc1ncc[nH]1)NC1(C[NH2+][C@H]2CCC(=O)NC2=O)CCOCC1 ZINC001274006415 816839428 /nfs/dbraw/zinc/83/94/28/816839428.db2.gz IVOMTAWFQOAIQV-NSHDSACASA-N 2 0 349.391 -0.988 20 0 EBADRP CC[C@H](C(=O)NC1(C[NH2+]CCS(C)(=O)=O)CCOCC1)N(C)C ZINC001274005840 816840090 /nfs/dbraw/zinc/84/00/90/816840090.db2.gz BPIQKNOBMJLJSS-CYBMUJFWSA-N 2 0 349.497 -0.374 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001274035780 816845502 /nfs/dbraw/zinc/84/55/02/816845502.db2.gz LKLYHYZRZPLKME-FGTRRKKMSA-N 2 0 337.424 -0.860 20 0 EBADRP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001274280793 816918001 /nfs/dbraw/zinc/91/80/01/816918001.db2.gz OVVXYDQJWOMEAE-QWHCGFSZSA-N 2 0 338.456 -0.223 20 0 EBADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001274281266 816919470 /nfs/dbraw/zinc/91/94/70/816919470.db2.gz SJOSDILOQHYQSO-QWHCGFSZSA-N 2 0 344.481 -0.932 20 0 EBADRP CCOCCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001274511763 816988278 /nfs/dbraw/zinc/98/82/78/816988278.db2.gz XXVSHZOWBGJORD-HNNXBMFYSA-N 2 0 343.468 -0.313 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CCOCCO)CC1 ZINC001274528852 816992417 /nfs/dbraw/zinc/99/24/17/816992417.db2.gz PZMBPYSCMINKPP-HNNXBMFYSA-N 2 0 343.468 -0.577 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001274572856 817017153 /nfs/dbraw/zinc/01/71/53/817017153.db2.gz OXBAOBYVRJVBGS-CQSZACIVSA-N 2 0 340.468 -0.450 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC/C=C\C[NH2+]Cc1cnnn1C ZINC001274578456 817021233 /nfs/dbraw/zinc/02/12/33/817021233.db2.gz IEPNGTLCTMBIFQ-VQTKUKTRSA-N 2 0 336.440 -0.455 20 0 EBADRP NC(=O)C1CC[NH+](C2CCN(C(=O)C[N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC001274696821 817067489 /nfs/dbraw/zinc/06/74/89/817067489.db2.gz DMRXCOSAGDUIBG-HNNXBMFYSA-N 2 0 338.452 -0.759 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001276032969 817345292 /nfs/dbraw/zinc/34/52/92/817345292.db2.gz ARAIYSWRVIYZRG-CYBMUJFWSA-N 2 0 338.456 -0.079 20 0 EBADRP Cn1ncnc1C(=O)N1CCO[C@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]21 ZINC001276709225 817457272 /nfs/dbraw/zinc/45/72/72/817457272.db2.gz HZBWHMQTXDGUFT-KBPBESRZSA-N 2 0 334.424 -0.660 20 0 EBADRP O=C(NCC1([NH2+]CCN2C(=O)CCC2=O)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001277060021 817515414 /nfs/dbraw/zinc/51/54/14/817515414.db2.gz FELGOQLMJDKFMD-CQSZACIVSA-N 2 0 348.447 -0.284 20 0 EBADRP Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H](O)C2)cn1 ZINC001090536224 817517800 /nfs/dbraw/zinc/51/78/00/817517800.db2.gz CGAZEMGIJOHCDU-DLBZAZTESA-N 2 0 349.479 -0.144 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C[C@H]2O)CC1 ZINC001090537391 817519808 /nfs/dbraw/zinc/51/98/08/817519808.db2.gz KUSBCMYFZGDPEU-HUUCEWRRSA-N 2 0 336.440 -0.829 20 0 EBADRP O=C(NCC1([NH2+]CCN2C(=O)CNC2=O)CC1)C12CCC[NH+]1CCC2 ZINC001277102646 817520814 /nfs/dbraw/zinc/52/08/14/817520814.db2.gz VYPHKWFWNPDIHE-UHFFFAOYSA-N 2 0 349.435 -0.595 20 0 EBADRP CN(C)C(=O)C[N@@H+]1CCC2(CN(C(=S)NCC[NH+](C)C)C2)C1 ZINC001277452450 817571688 /nfs/dbraw/zinc/57/16/88/817571688.db2.gz OCMCSDZSJRLWFG-UHFFFAOYSA-N 2 0 327.498 -0.482 20 0 EBADRP CN1CCO[C@H](C(=O)NCCOCC[N@H+](C)C[C@@H]2CCOC2)C1 ZINC001277481143 817575668 /nfs/dbraw/zinc/57/56/68/817575668.db2.gz MSKBMLQBVUJBQV-GJZGRUSLSA-N 2 0 329.441 -0.582 20 0 EBADRP C[C@@H](C(N)=O)[N@H+](C)CCOCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001277501175 817580196 /nfs/dbraw/zinc/58/01/96/817580196.db2.gz JVWHUULYUGQNND-AWEZNQCLSA-N 2 0 340.468 -0.199 20 0 EBADRP CN(C)C(=O)CNC(=O)c1noc2c1C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC001277821166 817640062 /nfs/dbraw/zinc/64/00/62/817640062.db2.gz FPOGAHLWDHKGLM-UHFFFAOYSA-N 2 0 349.435 -0.150 20 0 EBADRP C[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](Cc3cn[nH]c3)C[C@H]12 ZINC001277957753 817663402 /nfs/dbraw/zinc/66/34/02/817663402.db2.gz CYDBQANZEYGQOR-BPLDGKMQSA-N 2 0 333.436 -0.197 20 0 EBADRP CCC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+][C@H]1CCC(=O)NC1=O ZINC001277994926 817670877 /nfs/dbraw/zinc/67/08/77/817670877.db2.gz KYTGEQNURWXOQW-STQMWFEESA-N 2 0 326.441 -0.040 20 0 EBADRP CCN1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCOCCO)C1 ZINC001278005411 817673222 /nfs/dbraw/zinc/67/32/22/817673222.db2.gz LIBKXVLHRYASBB-CABCVRRESA-N 2 0 329.441 -0.703 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@H]1C ZINC001278307825 817739819 /nfs/dbraw/zinc/73/98/19/817739819.db2.gz IBXYJGSSGPTPET-OLZOCXBDSA-N 2 0 334.486 -0.544 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCNS(C)(=O)=O)C[C@H]1C ZINC001278424364 817760206 /nfs/dbraw/zinc/76/02/06/817760206.db2.gz QEAWXDUHSHPXJS-CHWSQXEVSA-N 2 0 334.486 -0.545 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001278582361 817783042 /nfs/dbraw/zinc/78/30/42/817783042.db2.gz KYRMKYWNTBDSKC-HIFRSBDPSA-N 2 0 346.497 -0.685 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CC(CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)nc1=O ZINC001091031115 817844352 /nfs/dbraw/zinc/84/43/52/817844352.db2.gz TWRVZSQFPOSOGI-UBHUBRDASA-N 2 0 348.451 -0.565 20 0 EBADRP CCOCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001278823376 817851568 /nfs/dbraw/zinc/85/15/68/817851568.db2.gz YSGCAJVMAIIAQY-WBVHZDCISA-N 2 0 343.468 -0.456 20 0 EBADRP CCOCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001278823375 817852266 /nfs/dbraw/zinc/85/22/66/817852266.db2.gz YSGCAJVMAIIAQY-RDJZCZTQSA-N 2 0 343.468 -0.456 20 0 EBADRP O=C(NCC1CC([NH2+][C@H]2CCC(=O)NC2=O)C1)C12CCC[NH+]1CCC2 ZINC001091118940 817890869 /nfs/dbraw/zinc/89/08/69/817890869.db2.gz DGZQYVLODPFFNX-RUXDESIVSA-N 2 0 348.447 -0.096 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(C)CCOCC[NH2+][C@H]2CCNC2=O)CC[N@@H+]1C ZINC001279409382 817927045 /nfs/dbraw/zinc/92/70/45/817927045.db2.gz VVFFNIWFMIDDOM-MCIONIFRSA-N 2 0 326.441 -0.720 20 0 EBADRP CN(CCOCC[NH2+][C@@H]1CCN(C)C1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001279430197 817930680 /nfs/dbraw/zinc/93/06/80/817930680.db2.gz XDWXQTJVCXBDMM-ZIAGYGMSSA-N 2 0 326.441 -0.624 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N(CCO)CC[NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC001279900938 818003547 /nfs/dbraw/zinc/00/35/47/818003547.db2.gz AJTUBDGSDFASSC-INIZCTEOSA-N 2 0 348.447 -0.352 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCN2CCNC2=O)C1 ZINC001279999600 818010447 /nfs/dbraw/zinc/01/04/47/818010447.db2.gz NXGAQGZBPWRWDM-CABCVRRESA-N 2 0 337.468 -0.066 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)CCN1C(=O)CNC1=O ZINC001282363424 818397331 /nfs/dbraw/zinc/39/73/31/818397331.db2.gz AEIBUZRNFQNPHZ-NWDGAFQWSA-N 2 0 325.413 -0.931 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001283138739 818672524 /nfs/dbraw/zinc/67/25/24/818672524.db2.gz GQUYGSMNPFWHLP-KGLIPLIRSA-N 2 0 326.441 -0.578 20 0 EBADRP C[C@@H](CCC[NH2+]CC(=O)NC(N)=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001283213417 818703624 /nfs/dbraw/zinc/70/36/24/818703624.db2.gz DCWDTUSSMYKRAD-LBPRGKRZSA-N 2 0 341.456 -0.070 20 0 EBADRP C[N@H+](CCOCCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CCNC1=O ZINC001283421066 818804528 /nfs/dbraw/zinc/80/45/28/818804528.db2.gz FYOTUGBCOBUHIB-KBPBESRZSA-N 2 0 326.441 -0.719 20 0 EBADRP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCS(=O)(=O)N(C)C ZINC001283652138 818896270 /nfs/dbraw/zinc/89/62/70/818896270.db2.gz JAAJMZZQGKYAGF-UONOGXRCSA-N 2 0 348.513 -0.201 20 0 EBADRP C[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)CCC[NH+](C)C ZINC001284004984 819060129 /nfs/dbraw/zinc/06/01/29/819060129.db2.gz UUSXRUBWQOYKHE-STQMWFEESA-N 2 0 334.486 -0.544 20 0 EBADRP CNC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098371559 819155844 /nfs/dbraw/zinc/15/58/44/819155844.db2.gz YKJQDIVYKRNVBI-UKRRQHHQSA-N 2 0 340.468 -0.642 20 0 EBADRP C[C@H](O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098371192 819156005 /nfs/dbraw/zinc/15/60/05/819156005.db2.gz KQPBOHZTAKQKLW-SQWLQELKSA-N 2 0 327.469 -0.007 20 0 EBADRP C[C@@H](O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098371191 819156521 /nfs/dbraw/zinc/15/65/21/819156521.db2.gz KQPBOHZTAKQKLW-IIAWOOMASA-N 2 0 327.469 -0.007 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CNC2=O)C1 ZINC001098394840 819169180 /nfs/dbraw/zinc/16/91/80/819169180.db2.gz SVFICWTWAVFZRF-DGAVXFQQSA-N 2 0 349.435 -0.789 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCC([N@H+](CCO)CC(N)=O)CC1)[NH+](C)C ZINC001098399926 819171441 /nfs/dbraw/zinc/17/14/41/819171441.db2.gz WUYCJDBYXIHLEI-HNNXBMFYSA-N 2 0 328.457 -0.657 20 0 EBADRP CC[C@H](C(=O)N1CCC([N@H+](CCO)CCOCCO)CC1)[NH+](C)C ZINC001098404388 819172703 /nfs/dbraw/zinc/17/27/03/819172703.db2.gz KUMWNOJFUHCDTB-MRXNPFEDSA-N 2 0 345.484 -0.379 20 0 EBADRP NC(=O)C[N@H+](CCO)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001098418847 819180238 /nfs/dbraw/zinc/18/02/38/819180238.db2.gz LRZHNNJBAMDARI-UHFFFAOYSA-N 2 0 338.452 -0.615 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]CCNS(C)(=O)=O)C(C)(C)C1)[NH+](C)C ZINC001284336813 819188617 /nfs/dbraw/zinc/18/86/17/819188617.db2.gz VSAIUEPCTJLWIK-CHWSQXEVSA-N 2 0 348.513 -0.298 20 0 EBADRP CNC(=O)C[N@H+](CCO)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001098536235 819234807 /nfs/dbraw/zinc/23/48/07/819234807.db2.gz FKVCNWCRBQAESM-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP CCNC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001098560801 819244749 /nfs/dbraw/zinc/24/47/49/819244749.db2.gz BNPNVGGBGPNOIW-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC([NH+](CCO)CC(=O)N(C)C)CC1 ZINC001098572377 819251272 /nfs/dbraw/zinc/25/12/72/819251272.db2.gz FGOPXXFWXQIMDT-UHFFFAOYSA-N 2 0 342.484 -0.300 20 0 EBADRP CCNC(=O)C[N@H+](CCO)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001098572502 819252221 /nfs/dbraw/zinc/25/22/21/819252221.db2.gz KUDJOZDWTCEZJN-UHFFFAOYSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](n2cc(C[NH2+]C[C@H](C)O)nn2)C1 ZINC001098762541 819357404 /nfs/dbraw/zinc/35/74/04/819357404.db2.gz NOQXFURWQMCCTN-DZGCQCFKSA-N 2 0 338.456 -0.136 20 0 EBADRP C[N@H+](CC(=O)N[C@H]1CC[NH+](CCOCCO)C[C@H]1O)C1CCC1 ZINC001099880211 819824738 /nfs/dbraw/zinc/82/47/38/819824738.db2.gz WPRMOUKDNLVIKA-LSDHHAIUSA-N 2 0 329.441 -0.969 20 0 EBADRP CN(CCC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O)c1cc[nH+]cc1 ZINC001099899575 819868309 /nfs/dbraw/zinc/86/83/09/819868309.db2.gz VNISVXFIZVBRGG-HZPDHXFCSA-N 2 0 336.436 -0.158 20 0 EBADRP Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)C3(C[NH+](C)C)CC3)[C@H](O)C2)cn1 ZINC001099971958 819975650 /nfs/dbraw/zinc/97/56/50/819975650.db2.gz OQKGCYVBFFBXBM-JKSUJKDBSA-N 2 0 349.479 -0.144 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C[C@H]2O)CC1 ZINC001099972470 819976626 /nfs/dbraw/zinc/97/66/26/819976626.db2.gz XAKGVRUGWSWEOJ-ZIAGYGMSSA-N 2 0 336.440 -0.829 20 0 EBADRP CCn1cc(CC[N@@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)cn1 ZINC001099985443 819990991 /nfs/dbraw/zinc/99/09/91/819990991.db2.gz CLIXOEJBWZRYRU-CVEARBPZSA-N 2 0 337.468 -0.051 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001100042090 820109311 /nfs/dbraw/zinc/10/93/11/820109311.db2.gz SVJKANXWZDZLNZ-HOTGVXAUSA-N 2 0 337.468 -0.144 20 0 EBADRP CCOCC[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100050692 820126097 /nfs/dbraw/zinc/12/60/97/820126097.db2.gz LOGXHRIXPJEUTF-HZPDHXFCSA-N 2 0 343.468 -0.315 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@H+](CCn2cccn2)C[C@H]1O ZINC001100074176 820164287 /nfs/dbraw/zinc/16/42/87/820164287.db2.gz JXDAKBAFVNACAN-HUUCEWRRSA-N 2 0 339.440 -0.987 20 0 EBADRP CCCCOCC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100074673 820165633 /nfs/dbraw/zinc/16/56/33/820165633.db2.gz QXFWQWUTSPPYLT-HZPDHXFCSA-N 2 0 345.484 -0.067 20 0 EBADRP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](CCn2cncn2)C[C@H]1O ZINC001100080207 820177416 /nfs/dbraw/zinc/17/74/16/820177416.db2.gz FWNLFEHSEWLJLO-LSDHHAIUSA-N 2 0 338.456 -0.439 20 0 EBADRP COCCOCC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100081383 820179203 /nfs/dbraw/zinc/17/92/03/820179203.db2.gz RGTXZYQUODRTAD-CVEARBPZSA-N 2 0 345.484 -0.067 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCc2cnn(C)c2)C[C@@H]1O ZINC001100083216 820184965 /nfs/dbraw/zinc/18/49/65/820184965.db2.gz OOSZLZUNFNFPNB-CVEARBPZSA-N 2 0 337.468 -0.144 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCc2ccnn2C)C[C@H]1O ZINC001100132037 820271224 /nfs/dbraw/zinc/27/12/24/820271224.db2.gz MFTBXVXOEFRMMI-HZPDHXFCSA-N 2 0 337.468 -0.146 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCN2CCCC2=O)C[C@@H]1O ZINC001100132256 820272446 /nfs/dbraw/zinc/27/24/46/820272446.db2.gz QPFNMIPWBIURDK-GJZGRUSLSA-N 2 0 340.468 -0.500 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001100343621 820368398 /nfs/dbraw/zinc/36/83/98/820368398.db2.gz LBBGZGSZPLFIHB-IKWCTNDRSA-N 2 0 339.440 -0.733 20 0 EBADRP C[N@H+](CC(=O)NCC1CC([NH2+][C@@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC001100410758 820408486 /nfs/dbraw/zinc/40/84/86/820408486.db2.gz LVGYUKVEHARGHZ-ORHYLEIMSA-N 2 0 336.436 -0.240 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1 ZINC001100446057 820423557 /nfs/dbraw/zinc/42/35/57/820423557.db2.gz MWEYRJJWIIEHEP-JXQTWKCFSA-N 2 0 346.497 -0.496 20 0 EBADRP CC[C@H](C(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001100443582 820423791 /nfs/dbraw/zinc/42/37/91/820423791.db2.gz OXHGQPRAYDWCBC-WXRRBKDZSA-N 2 0 334.486 -0.640 20 0 EBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001100522692 820454784 /nfs/dbraw/zinc/45/47/84/820454784.db2.gz BBMAWAJUUUMAHE-DLUQRMLASA-N 2 0 336.436 -0.920 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC2CC([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001100678742 820508599 /nfs/dbraw/zinc/50/85/99/820508599.db2.gz VRMCSZJMNFOIAK-UNXYVOJBSA-N 2 0 325.413 -0.993 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001292412695 820538401 /nfs/dbraw/zinc/53/84/01/820538401.db2.gz BKEVXOFHFKJOLZ-OAHLLOKOSA-N 2 0 340.468 -0.423 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+]CC(=O)N2CCOCC2)C1 ZINC001100829834 820564209 /nfs/dbraw/zinc/56/42/09/820564209.db2.gz MZZXXNPUZIQFOV-UHFFFAOYSA-N 2 0 340.468 -0.329 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)CC[N@H+](C)CC)C1 ZINC001100829870 820564694 /nfs/dbraw/zinc/56/46/94/820564694.db2.gz OTBYKPAUYOSDIB-UHFFFAOYSA-N 2 0 341.456 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ZINC001102205310 821046796 /nfs/dbraw/zinc/04/67/96/821046796.db2.gz VUJCZXOSGAHUFH-MGPQQGTHSA-N 2 0 347.419 -0.238 20 0 EBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001102489092 821125396 /nfs/dbraw/zinc/12/53/96/821125396.db2.gz SSAJPCPPNNLWKW-CHWSQXEVSA-N 2 0 326.441 -0.733 20 0 EBADRP CNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513578 821135031 /nfs/dbraw/zinc/13/50/31/821135031.db2.gz REOJVFWZGKPZDU-HZSPNIEDSA-N 2 0 328.457 -0.617 20 0 EBADRP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398421 821306750 /nfs/dbraw/zinc/30/67/50/821306750.db2.gz RQNOCNNDFLQLGQ-MCIONIFRSA-N 2 0 338.452 -0.183 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001104809352 821548679 /nfs/dbraw/zinc/54/86/79/821548679.db2.gz GDDOOSWSNLGLON-CHWSQXEVSA-N 2 0 341.456 -0.403 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1CC[NH2+][C@@H]1CCNC1=O ZINC001104908360 821564445 /nfs/dbraw/zinc/56/44/45/821564445.db2.gz TWFYKEGSBUPPIR-RBSFLKMASA-N 2 0 340.468 -0.473 20 0 EBADRP C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001105242764 821641985 /nfs/dbraw/zinc/64/19/85/821641985.db2.gz HDNGTAUCANCIJH-BLLLJJGKSA-N 2 0 348.451 -0.526 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105243090 821642254 /nfs/dbraw/zinc/64/22/54/821642254.db2.gz UTQSINOPPGJVPY-MRXNPFEDSA-N 2 0 348.451 -0.525 20 0 EBADRP C[NH+](C)C1(C(=O)N2CC(n3cc(C[NH2+]CCCO)nn3)C2)CCC1 ZINC001105259520 821651661 /nfs/dbraw/zinc/65/16/61/821651661.db2.gz BPCGAKUBDLEDFG-UHFFFAOYSA-N 2 0 336.440 -0.382 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC(n3cc(C[NH2+]CCCO)nn3)C2)C1 ZINC001105361321 821720676 /nfs/dbraw/zinc/72/06/76/821720676.db2.gz WGLLQKDACXOTRU-ZDUSSCGKSA-N 2 0 336.440 -0.525 20 0 EBADRP C[C@H](C(N)=O)[N@H+](C)CCOCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001316765213 821851907 /nfs/dbraw/zinc/85/19/07/821851907.db2.gz MIXOLEWYIVZDGL-CYBMUJFWSA-N 2 0 326.441 -0.637 20 0 EBADRP CC(=O)NCCOCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001316778225 821855521 /nfs/dbraw/zinc/85/55/21/821855521.db2.gz JBONBDJZIZQJNE-VNQPRFMTSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001316828374 821871374 /nfs/dbraw/zinc/87/13/74/821871374.db2.gz CLQBANVFMFSYJE-OLZOCXBDSA-N 2 0 341.456 -0.118 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[N@H+](C)[C@H]1CCN(C)C1=O ZINC001316866055 821898592 /nfs/dbraw/zinc/89/85/92/821898592.db2.gz VOTXOCAXVAXIEU-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP CCN(CCCNC(=O)[C@@H]1CN(C)CCO1)Cc1cnnn1CC ZINC001316887479 821904471 /nfs/dbraw/zinc/90/44/71/821904471.db2.gz HUHVWPSWJBLCRX-HNNXBMFYSA-N 2 0 338.456 -0.043 20 0 EBADRP CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CC(=O)NC(N)=O ZINC001316911317 821915936 /nfs/dbraw/zinc/91/59/36/821915936.db2.gz PGTBYGMOVCJKRA-BETUJISGSA-N 2 0 341.456 -0.118 20 0 EBADRP CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC(=O)NC(N)=O ZINC001316911323 821916260 /nfs/dbraw/zinc/91/62/60/821916260.db2.gz PGTBYGMOVCJKRA-CHWSQXEVSA-N 2 0 341.456 -0.118 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001317061479 821990285 /nfs/dbraw/zinc/99/02/85/821990285.db2.gz APEFVCKREWQKSE-STQMWFEESA-N 2 0 332.470 -0.790 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317104903 822004792 /nfs/dbraw/zinc/00/47/92/822004792.db2.gz KQVCPUPQRZGVBV-APIJFGDWSA-N 2 0 340.468 -0.141 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CCO)C1 ZINC001317289622 822066465 /nfs/dbraw/zinc/06/64/65/822066465.db2.gz BRDZAWHZIKSZLF-CABCVRRESA-N 2 0 340.468 -0.593 20 0 EBADRP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)CCN1C(=O)CNC1=O ZINC001317490352 822130839 /nfs/dbraw/zinc/13/08/39/822130839.db2.gz RJASCPFXDYVTLB-UHFFFAOYSA-N 2 0 325.413 -0.928 20 0 EBADRP CN(CC[NH2+]CC1(CS(C)(=O)=O)CC1)C(=O)C[NH+]1CCCC1 ZINC001317662125 822197516 /nfs/dbraw/zinc/19/75/16/822197516.db2.gz UUDDHSXXKCBJIV-UHFFFAOYSA-N 2 0 331.482 -0.045 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001317861316 822227681 /nfs/dbraw/zinc/22/76/81/822227681.db2.gz OFEHXZAZELGNAX-UONOGXRCSA-N 2 0 338.452 -0.086 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2cccc(C[NH2+]CCO)n2)C1 ZINC001128107096 828416368 /nfs/dbraw/zinc/41/63/68/828416368.db2.gz MBTCRPPMDZYRFZ-JKSUJKDBSA-N 2 0 347.463 -0.047 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106623205 822301710 /nfs/dbraw/zinc/30/17/10/822301710.db2.gz MHWROTGIWARPKK-FRRDWIJNSA-N 2 0 341.456 -0.534 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106778266 822328976 /nfs/dbraw/zinc/32/89/76/822328976.db2.gz BKSGLEHMSVSNEB-VXGBXAGGSA-N 2 0 327.429 -0.793 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001128545188 828473112 /nfs/dbraw/zinc/47/31/12/828473112.db2.gz VRJUVEVINDWJTB-WDEREUQCSA-N 2 0 333.408 -0.784 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001128551726 828473657 /nfs/dbraw/zinc/47/36/57/828473657.db2.gz GFFVSXGEUMAMAU-GFCCVEGCSA-N 2 0 330.404 -0.479 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NCC ZINC001128774144 828524177 /nfs/dbraw/zinc/52/41/77/828524177.db2.gz MUUMMVUTDOPYII-QWHCGFSZSA-N 2 0 341.456 -0.199 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCOCCNC(C)=O ZINC001128784881 828526821 /nfs/dbraw/zinc/52/68/21/828526821.db2.gz NZVKCJXBVTVVMK-OAHLLOKOSA-N 2 0 328.457 -0.281 20 0 EBADRP C[C@@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228293 828583149 /nfs/dbraw/zinc/58/31/49/828583149.db2.gz MBEKBELIDPDNKY-KFWWJZLASA-N 2 0 338.456 -0.268 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129328517 828598847 /nfs/dbraw/zinc/59/88/47/828598847.db2.gz QGJWJYNXJPSUJN-HOTGVXAUSA-N 2 0 345.484 -0.306 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129329646 828598868 /nfs/dbraw/zinc/59/88/68/828598868.db2.gz YZYQGQUZNADBSW-CQSZACIVSA-N 2 0 348.513 -0.391 20 0 EBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129363562 828604732 /nfs/dbraw/zinc/60/47/32/828604732.db2.gz JTRKGXAMWNLFJD-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP O=C(NCC[NH2+]CCn1cncn1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129363837 828604743 /nfs/dbraw/zinc/60/47/43/828604743.db2.gz KRVZZPZGTHERSL-OAHLLOKOSA-N 2 0 336.440 -0.373 20 0 EBADRP C[NH+](C)C1(C(=O)NCC[NH2+]C[C@H](O)COC[C@@H]2CCCO2)CCC1 ZINC001129363007 828604766 /nfs/dbraw/zinc/60/47/66/828604766.db2.gz DGTFLZBRLBIXGL-GJZGRUSLSA-N 2 0 343.468 -0.267 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]CCNC(=O)C2([NH+](C)C)CCC2)s1 ZINC001129356164 828604881 /nfs/dbraw/zinc/60/48/81/828604881.db2.gz CROLRDVXLQQLFU-UHFFFAOYSA-N 2 0 340.453 -0.025 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129362701 828604941 /nfs/dbraw/zinc/60/49/41/828604941.db2.gz BVLOKEZZQHRLQU-UHFFFAOYSA-N 2 0 341.456 -0.198 20 0 EBADRP C[NH+](C)C1(C(=O)NCC[NH2+]C[C@H](O)COC2CCOCC2)CCC1 ZINC001129363894 828605656 /nfs/dbraw/zinc/60/56/56/828605656.db2.gz MBHLIVUNBUEMGR-AWEZNQCLSA-N 2 0 343.468 -0.267 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](C)O)C[C@@H]1n1ccnn1 ZINC001129400410 828613369 /nfs/dbraw/zinc/61/33/69/828613369.db2.gz MVUONTNXRFSYBG-KFWWJZLASA-N 2 0 338.456 -0.268 20 0 EBADRP Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)[C@@H](C3CC3)[NH+](C)C)C2=O)n1 ZINC001129442732 828619804 /nfs/dbraw/zinc/61/98/04/828619804.db2.gz DWEAVLXTWRENOQ-DZGCQCFKSA-N 2 0 348.451 -0.429 20 0 EBADRP COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129442698 828619872 /nfs/dbraw/zinc/61/98/72/828619872.db2.gz DDMSVYRRGXHZSK-CQSZACIVSA-N 2 0 349.497 -0.516 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129448599 828621184 /nfs/dbraw/zinc/62/11/84/828621184.db2.gz CHRYCBMSBFOQFD-DGCLKSJQSA-N 2 0 341.456 -0.345 20 0 EBADRP C[N@H+](CC(=O)NCC[NH2+]CC(=O)NC1CCOCC1)C1CCC1 ZINC001129527103 828630934 /nfs/dbraw/zinc/63/09/34/828630934.db2.gz YTNZASBQQIXWIC-UHFFFAOYSA-N 2 0 326.441 -0.528 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1ncc[nH]1)C2 ZINC001108671861 824419327 /nfs/dbraw/zinc/41/93/27/824419327.db2.gz XXKHKSLPPQGCEA-TUAOUCFPSA-N 2 0 348.407 -0.494 20 0 EBADRP COCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977381 824637861 /nfs/dbraw/zinc/63/78/61/824637861.db2.gz HHESAFWMTIRIFO-PMPSAXMXSA-N 2 0 343.468 -0.051 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129849425 828681723 /nfs/dbraw/zinc/68/17/23/828681723.db2.gz DXIMLBFWVRRPIB-CQSZACIVSA-N 2 0 328.457 -0.281 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001129946998 828698732 /nfs/dbraw/zinc/69/87/32/828698732.db2.gz DUOAWNZAUORTQF-ZDUSSCGKSA-N 2 0 327.429 -0.733 20 0 EBADRP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277530 825044641 /nfs/dbraw/zinc/04/46/41/825044641.db2.gz WNGONYXJBHTOBZ-TUVASFSCSA-N 2 0 329.441 -0.707 20 0 EBADRP CC(C)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130086230 828729788 /nfs/dbraw/zinc/72/97/88/828729788.db2.gz QOBUUFWUZOBTKZ-CABCVRRESA-N 2 0 338.456 -0.146 20 0 EBADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1 ZINC001130091232 828730847 /nfs/dbraw/zinc/73/08/47/828730847.db2.gz HFPLGJJFOFZWAI-KFWWJZLASA-N 2 0 348.451 -0.250 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130097043 828732097 /nfs/dbraw/zinc/73/20/97/828732097.db2.gz ZKWXDECPPOFAIL-KFWWJZLASA-N 2 0 338.456 -0.268 20 0 EBADRP C[C@H]1CN(C(=O)COCC[NH+](C)C)CC2(CC[NH+](CCO)CC2)O1 ZINC001111553006 825199571 /nfs/dbraw/zinc/19/95/71/825199571.db2.gz RSBZENBKIDQYCH-HNNXBMFYSA-N 2 0 343.468 -0.361 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130189598 828751625 /nfs/dbraw/zinc/75/16/25/828751625.db2.gz QJAUYVPHABOCHE-CVEARBPZSA-N 2 0 340.468 -0.138 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCc1cccnc1 ZINC001130297270 828776664 /nfs/dbraw/zinc/77/66/64/828776664.db2.gz JYCRWWOMFNQVIJ-HNNXBMFYSA-N 2 0 333.436 -0.112 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130298164 828776845 /nfs/dbraw/zinc/77/68/45/828776845.db2.gz XHUVCMFITQVZEP-VXGBXAGGSA-N 2 0 327.429 -0.589 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C)s1 ZINC001130297225 828776916 /nfs/dbraw/zinc/77/69/16/828776916.db2.gz JDYZGFZWWAYVPV-NSHDSACASA-N 2 0 340.453 -0.025 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130305861 828778479 /nfs/dbraw/zinc/77/84/79/828778479.db2.gz NCIRZRWKOWDXAW-UONOGXRCSA-N 2 0 328.457 -0.282 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130303869 828778547 /nfs/dbraw/zinc/77/85/47/828778547.db2.gz MRWLXOGTAZYNRB-ZDUSSCGKSA-N 2 0 341.456 -0.342 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NCCCCCC[NH2+]CC(N)=O)cn1 ZINC001179792299 833012048 /nfs/dbraw/zinc/01/20/48/833012048.db2.gz DJGRBCQVNUOWPD-UHFFFAOYSA-N 2 0 338.456 -0.190 20 0 EBADRP C[N@H+](CC(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@H]21)C1CCC1 ZINC001114413801 826238548 /nfs/dbraw/zinc/23/85/48/826238548.db2.gz GSVVCNSOCWJUAG-RSUWNVLCSA-N 2 0 334.420 -0.678 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCCS(C)(=O)=O)CCN1C(=O)COCC[NH+](C)C ZINC001179934004 833027361 /nfs/dbraw/zinc/02/73/61/833027361.db2.gz QSWLGEYFBFOZHI-KBPBESRZSA-N 2 0 349.497 -0.422 20 0 EBADRP CC(C)CNC(=O)C[NH2+][C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C ZINC001179933227 833027393 /nfs/dbraw/zinc/02/73/93/833027393.db2.gz DHWXSGAIGSBKLF-GJZGRUSLSA-N 2 0 342.484 -0.084 20 0 EBADRP CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)COCC[NH+](C)C)[C@H]2C)C1=O ZINC001179934373 833027900 /nfs/dbraw/zinc/02/79/00/833027900.db2.gz ZZHZQEPNDJTHJQ-SOUVJXGZSA-N 2 0 340.468 -0.236 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)[C@@H]1C ZINC001179986610 833031549 /nfs/dbraw/zinc/03/15/49/833031549.db2.gz BCGKGNRZRIKVFR-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114746612 826331751 /nfs/dbraw/zinc/33/17/51/826331751.db2.gz VSBJXIOCVVRJJE-NMKXLXIOSA-N 2 0 339.440 -0.781 20 0 EBADRP CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21)[NH+](C)C ZINC001114794260 826342354 /nfs/dbraw/zinc/34/23/54/826342354.db2.gz FLVTWKPGBDGOJH-CBBWQLFWSA-N 2 0 337.468 -0.356 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001180131590 833044995 /nfs/dbraw/zinc/04/49/95/833044995.db2.gz HNUBLHIAFFZIEM-AGIUHOORSA-N 2 0 339.440 -0.495 20 0 EBADRP COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001180135829 833045252 /nfs/dbraw/zinc/04/52/52/833045252.db2.gz LBZXDMKSOMYKDN-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001180136318 833045261 /nfs/dbraw/zinc/04/52/61/833045261.db2.gz XPCICSUVBWVJIJ-RYUDHWBXSA-N 2 0 325.413 -0.883 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180138362 833046800 /nfs/dbraw/zinc/04/68/00/833046800.db2.gz DOSZYUQJRKYFPR-BPUTZDHNSA-N 2 0 340.468 -0.330 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001115000784 826396870 /nfs/dbraw/zinc/39/68/70/826396870.db2.gz LSZUGZCIRFPTAY-LAQFHYBYSA-N 2 0 336.436 -0.476 20 0 EBADRP CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC1CC[NH+](C)CC1 ZINC001115039443 826406093 /nfs/dbraw/zinc/40/60/93/826406093.db2.gz WJHFQWRWBBZMGQ-HALDLXJZSA-N 2 0 338.452 -0.768 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC1CC[NH+](C)CC1 ZINC001115038437 826406143 /nfs/dbraw/zinc/40/61/43/826406143.db2.gz LUIQDHKNUYDNSS-MKVSYHDVSA-N 2 0 341.452 -0.849 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CCOCCNC(C)=O)C[C@H]21 ZINC001115080769 826415483 /nfs/dbraw/zinc/41/54/83/826415483.db2.gz DNHZFTASLLJNNR-QLPKVWCKSA-N 2 0 340.468 -0.473 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001115080669 826415669 /nfs/dbraw/zinc/41/56/69/826415669.db2.gz BYZCPMMTDJHUFZ-LJIGWXMPSA-N 2 0 335.452 -0.368 20 0 EBADRP CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)COCC[NH+](C)C)C1=O ZINC001115126193 826428273 /nfs/dbraw/zinc/42/82/73/826428273.db2.gz JWGBUTZVAFSVRM-CTASWTNQSA-N 2 0 338.452 -0.768 20 0 EBADRP COCCOC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001180226630 833059554 /nfs/dbraw/zinc/05/95/54/833059554.db2.gz DKKHIIPVADDCAM-JYJNAYRXSA-N 2 0 345.484 -0.071 20 0 EBADRP C[NH+]1CCN(c2ccccc2CNC(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC001117981521 826834148 /nfs/dbraw/zinc/83/41/48/826834148.db2.gz VYBXKQDDTPLCPH-UHFFFAOYSA-N 2 0 331.420 -0.857 20 0 EBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCCC[NH+]1CCC(O)CC1 ZINC001118200668 826874990 /nfs/dbraw/zinc/87/49/90/826874990.db2.gz OGZGZBKXGVPZQG-AWEZNQCLSA-N 2 0 326.441 -0.792 20 0 EBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001118488062 826939827 /nfs/dbraw/zinc/93/98/27/826939827.db2.gz YXOWMAOCZRIVDK-TZMCWYRMSA-N 2 0 326.441 -0.672 20 0 EBADRP CN1C(=O)C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)NC1=O ZINC001181131575 833135963 /nfs/dbraw/zinc/13/59/63/833135963.db2.gz JVLUDHUDOYTTOY-ZDUSSCGKSA-N 2 0 341.456 -0.341 20 0 EBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC001118924420 827025094 /nfs/dbraw/zinc/02/50/94/827025094.db2.gz IIATYKIZXVSRNL-OAHLLOKOSA-N 2 0 331.420 -0.360 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC001119295205 827098356 /nfs/dbraw/zinc/09/83/56/827098356.db2.gz SNCDUBZWGHRTAF-QEJZJMRPSA-N 2 0 340.468 -0.276 20 0 EBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)CC1 ZINC001119420600 827106815 /nfs/dbraw/zinc/10/68/15/827106815.db2.gz IMKULQLZJDBYKQ-HNNXBMFYSA-N 2 0 337.468 -0.922 20 0 EBADRP CN(C)C(=O)CC[NH+]1CCC(N2C(=O)N[C@@H](C[NH+](C)C)C2=O)CC1 ZINC001119631118 827127228 /nfs/dbraw/zinc/12/72/28/827127228.db2.gz OEZNEIWJXRUKEC-ZDUSSCGKSA-N 2 0 339.440 -0.589 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001181652901 833170647 /nfs/dbraw/zinc/17/06/47/833170647.db2.gz RKDCPSMVTQGBMY-OLZOCXBDSA-N 2 0 337.424 -0.741 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(=O)NC(N)=O)C2 ZINC001120834975 827263962 /nfs/dbraw/zinc/26/39/62/827263962.db2.gz RUQCATVNMGSKEZ-VDOARHDCSA-N 2 0 337.424 -0.708 20 0 EBADRP Cc1cc(NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccn1 ZINC001120917620 827272281 /nfs/dbraw/zinc/27/22/81/827272281.db2.gz KHXFBAGYIOPQEI-HUUCEWRRSA-N 2 0 347.463 -0.052 20 0 EBADRP C[C@H]([NH2+]C1CC2(CC(NC(=O)CC[NH+](C)C)C2)C1)C(=O)NC(N)=O ZINC001121696462 827427388 /nfs/dbraw/zinc/42/73/88/827427388.db2.gz TUPSJQZRPNXLFE-MJMQAPBISA-N 2 0 339.440 -0.462 20 0 EBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1=O ZINC001121921680 827482522 /nfs/dbraw/zinc/48/25/22/827482522.db2.gz SSYTWNQTFJARAN-RRFJBIMHSA-N 2 0 338.452 -0.759 20 0 EBADRP COC[C@H]([NH3+])C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001121935866 827486127 /nfs/dbraw/zinc/48/61/27/827486127.db2.gz FAUOHISEKIJOEG-HNNXBMFYSA-N 2 0 340.468 -0.199 20 0 EBADRP CN1CC[NH2+]C[C@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001122009957 827501879 /nfs/dbraw/zinc/50/18/79/827501879.db2.gz XQUWNCBYWJRXRI-KRWDZBQOSA-N 3 0 346.479 -0.387 20 0 EBADRP CN1CCN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC[N@H+](C)CC1 ZINC001122291534 827568113 /nfs/dbraw/zinc/56/81/13/827568113.db2.gz USMQGSNPLQNFPE-UHFFFAOYSA-N 2 0 346.479 -0.189 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001182637606 833249953 /nfs/dbraw/zinc/24/99/53/833249953.db2.gz LNJUHLGTNPOXJD-BFQNTYOBSA-N 2 0 341.456 -0.404 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001182692577 833252870 /nfs/dbraw/zinc/25/28/70/833252870.db2.gz NPRYXMDFARKSDS-HZSPNIEDSA-N 2 0 346.497 -0.544 20 0 EBADRP Cc1nn(C)c(C)c1NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124866457 827969580 /nfs/dbraw/zinc/96/95/80/827969580.db2.gz CWKPBZZUVQWQSH-ZDUSSCGKSA-N 2 0 336.440 -0.225 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)NC(=O)NC1CC1 ZINC001124866468 827969931 /nfs/dbraw/zinc/96/99/31/827969931.db2.gz DFLFYRFSPWEEAU-ZYHUDNBSSA-N 2 0 325.413 -0.837 20 0 EBADRP Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)[C@H]3CCC[N@@H+]3C)C2=O)n1 ZINC001124866378 827970109 /nfs/dbraw/zinc/97/01/09/827970109.db2.gz BHRBNKYVOFMQHJ-QWHCGFSZSA-N 2 0 334.424 -0.675 20 0 EBADRP CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124879572 827973504 /nfs/dbraw/zinc/97/35/04/827973504.db2.gz WIIKAOQZAYBRKH-CQSZACIVSA-N 2 0 336.440 -0.822 20 0 EBADRP Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)[C@H]3CCC[N@@H+]3C)C2=O)cn1 ZINC001124878831 827973654 /nfs/dbraw/zinc/97/36/54/827973654.db2.gz PBBHMJDGKMTQAA-UONOGXRCSA-N 2 0 334.424 -0.675 20 0 EBADRP COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124879431 827973870 /nfs/dbraw/zinc/97/38/70/827973870.db2.gz UAGYLVUSKGXSSJ-CYBMUJFWSA-N 2 0 335.470 -0.762 20 0 EBADRP CN(CC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1)S(C)(=O)=O ZINC001183229580 833284130 /nfs/dbraw/zinc/28/41/30/833284130.db2.gz NIXOQCXKKZZOAU-CYBMUJFWSA-N 2 0 346.497 -0.447 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001183240468 833284666 /nfs/dbraw/zinc/28/46/66/833284666.db2.gz GXABOMGBTVPTGH-VXGBXAGGSA-N 2 0 339.440 -0.495 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001183267224 833285120 /nfs/dbraw/zinc/28/51/20/833285120.db2.gz JMBSPHULGWWIIB-GDBMZVCRSA-N 2 0 340.468 -0.330 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001183647388 833297844 /nfs/dbraw/zinc/29/78/44/833297844.db2.gz GBVWZMUOSYHQPC-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)C(=O)NC(N)=O ZINC001183940483 833313653 /nfs/dbraw/zinc/31/36/53/833313653.db2.gz XMJRFJGKOUWFFW-VXGBXAGGSA-N 2 0 337.424 -0.611 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001127322739 828278851 /nfs/dbraw/zinc/27/88/51/828278851.db2.gz VCPDBJOGKCHMKG-UHFFFAOYSA-N 2 0 327.429 -0.588 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1)C(=O)NC(N)=O ZINC001183977099 833315188 /nfs/dbraw/zinc/31/51/88/833315188.db2.gz BRTRRLVOWILGSC-ZYHUDNBSSA-N 2 0 344.375 -0.278 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127473601 828297081 /nfs/dbraw/zinc/29/70/81/828297081.db2.gz AEHMMZQWPQSVCP-AWEZNQCLSA-N 2 0 326.441 -0.813 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127479279 828297637 /nfs/dbraw/zinc/29/76/37/828297637.db2.gz BIOSWOSKKSXJBY-CQSZACIVSA-N 2 0 346.497 -0.637 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127690516 828314760 /nfs/dbraw/zinc/31/47/60/828314760.db2.gz LQDOOMRAGVABAJ-FRRDWIJNSA-N 2 0 341.456 -0.343 20 0 EBADRP NC(=O)c1cccc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC001127779714 828327096 /nfs/dbraw/zinc/32/70/96/828327096.db2.gz QWZNVESTXBCSAI-HZPDHXFCSA-N 2 0 346.431 -0.146 20 0 EBADRP CN(CC1CC1)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779269 828327308 /nfs/dbraw/zinc/32/73/08/828327308.db2.gz KKMWJZYIBJNJIS-CABCVRRESA-N 2 0 338.452 -0.576 20 0 EBADRP Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001127779555 828328627 /nfs/dbraw/zinc/32/86/27/828328627.db2.gz NXICVYJNOPFZQT-CABCVRRESA-N 2 0 336.440 -0.536 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)NCC1CCC1 ZINC001127780451 828330026 /nfs/dbraw/zinc/33/00/26/828330026.db2.gz ZBBANFASHFJHHE-HUUCEWRRSA-N 2 0 338.452 -0.528 20 0 EBADRP CCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127785997 828330941 /nfs/dbraw/zinc/33/09/41/828330941.db2.gz UHRZVACWBMDDBX-KBPBESRZSA-N 2 0 347.481 -0.620 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]CCCO)c1 ZINC001130532175 828875277 /nfs/dbraw/zinc/87/52/77/828875277.db2.gz YJWPAXYYLMGDCX-NUEKZKHPSA-N 2 0 335.452 -0.219 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)CCN(C)c1cc[nH+]cc1)C(=O)NC(N)=O ZINC001130558902 828884074 /nfs/dbraw/zinc/88/40/74/828884074.db2.gz UOUVZZKOVQZPBR-NSHDSACASA-N 2 0 336.396 -0.803 20 0 EBADRP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001184432986 833329949 /nfs/dbraw/zinc/32/99/49/833329949.db2.gz CMCINZLWZBSFSW-DLOXAQCQSA-N 2 0 336.436 -0.872 20 0 EBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001130669302 828910963 /nfs/dbraw/zinc/91/09/63/828910963.db2.gz FLLUZQDSNZOTKV-SGMGOOAPSA-N 2 0 336.440 -0.870 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001130709155 828919627 /nfs/dbraw/zinc/91/96/27/828919627.db2.gz VSZDOCFYELPPTK-ZDUSSCGKSA-N 2 0 334.486 -0.638 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(N)=O)C1 ZINC001130719369 828921901 /nfs/dbraw/zinc/92/19/01/828921901.db2.gz MFAKWRCLJPNGNR-GXTWGEPZSA-N 2 0 336.440 -0.869 20 0 EBADRP O=C(C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2)NC1CCOCC1 ZINC001130805621 828943437 /nfs/dbraw/zinc/94/34/37/828943437.db2.gz DXYSAVRRKCLLQI-UHFFFAOYSA-N 2 0 338.452 -0.384 20 0 EBADRP O=C(NCC[NH2+]C[C@H](O)CN1CCCC1=O)C12CCC[NH+]1CCC2 ZINC001130808803 828944349 /nfs/dbraw/zinc/94/43/49/828944349.db2.gz RXJOGKIJVOSCAX-AWEZNQCLSA-N 2 0 338.452 -0.696 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)C(=O)NC(N)=O ZINC001184962159 833344295 /nfs/dbraw/zinc/34/42/95/833344295.db2.gz QSODTFZZKLUTLV-TUAOUCFPSA-N 2 0 325.413 -0.755 20 0 EBADRP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCCO ZINC001130943610 828999935 /nfs/dbraw/zinc/99/99/35/828999935.db2.gz FGRRHMLSDWGQJW-RBSFLKMASA-N 2 0 335.452 -0.219 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001185072201 833346187 /nfs/dbraw/zinc/34/61/87/833346187.db2.gz FFMIKBQHEBPBOR-OLZOCXBDSA-N 2 0 338.456 -0.366 20 0 EBADRP Cn1cncc1[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CC(N)=O ZINC001131059905 829035863 /nfs/dbraw/zinc/03/58/63/829035863.db2.gz ORHNUADJBUNWES-CHWSQXEVSA-N 2 0 336.440 -0.869 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1 ZINC001131089596 829040973 /nfs/dbraw/zinc/04/09/73/829040973.db2.gz PMYDMDMMXBJQOA-CHWSQXEVSA-N 2 0 336.440 -0.869 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185248585 833351645 /nfs/dbraw/zinc/35/16/45/833351645.db2.gz HWGGZIHDFSIQEO-GFCCVEGCSA-N 2 0 327.429 -0.636 20 0 EBADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185265136 833352951 /nfs/dbraw/zinc/35/29/51/833352951.db2.gz MHRFUJYCJXRINJ-CABCVRRESA-N 2 0 331.457 -0.457 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)NC(=O)NC1CC1 ZINC001185401247 833358055 /nfs/dbraw/zinc/35/80/55/833358055.db2.gz NTIIFJDQBTXYTQ-WCQYABFASA-N 2 0 339.440 -0.495 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001185408882 833358395 /nfs/dbraw/zinc/35/83/95/833358395.db2.gz ZVEXHFNCCQNXJE-KGLIPLIRSA-N 2 0 326.441 -0.888 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001185445402 833358717 /nfs/dbraw/zinc/35/87/17/833358717.db2.gz FYVCFPRDCZSPRD-CHWSQXEVSA-N 2 0 341.456 -0.403 20 0 EBADRP CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1)[NH+](C)C ZINC001185455554 833359422 /nfs/dbraw/zinc/35/94/22/833359422.db2.gz PIRKSRGHICETDB-IJLUTSLNSA-N 2 0 327.429 -0.654 20 0 EBADRP CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)COCC[NH+](C)C)C[C@@H]1C ZINC001185505290 833360718 /nfs/dbraw/zinc/36/07/18/833360718.db2.gz ZZPKBKZQHZWGOJ-GJZGRUSLSA-N 2 0 342.484 -0.225 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001185650117 833365131 /nfs/dbraw/zinc/36/51/31/833365131.db2.gz DDXPHETXXOCXKK-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185682995 833366725 /nfs/dbraw/zinc/36/67/25/833366725.db2.gz VNMCFQXZJUFADJ-QWHCGFSZSA-N 2 0 339.440 -0.649 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1)C(=O)NC(N)=O ZINC001185705374 833367608 /nfs/dbraw/zinc/36/76/08/833367608.db2.gz AGVNQQRMBZWCAM-NWDGAFQWSA-N 2 0 341.456 -0.262 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCCCOC)C1)[NH+](C)C ZINC001185716163 833367771 /nfs/dbraw/zinc/36/77/71/833367771.db2.gz QZHCPLBJPFXMAG-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@@H]([NH2+]CCOCCO)C1 ZINC001211093355 837386718 /nfs/dbraw/zinc/38/67/18/837386718.db2.gz WMVBIMKXMUXANO-HZPDHXFCSA-N 2 0 343.468 -0.456 20 0 EBADRP CCCC[C@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C(N)=O ZINC001131522235 829154338 /nfs/dbraw/zinc/15/43/38/829154338.db2.gz YKCPUNQKFWXOHL-YRTQGLMCSA-N 2 0 338.452 -0.401 20 0 EBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@]2(CC[N@H+](CCOCCO)C2)O1 ZINC001131682357 829185354 /nfs/dbraw/zinc/18/53/54/829185354.db2.gz NOCTWYLVYKFBGT-DOTOQJQBSA-N 2 0 343.468 -0.361 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790812 829217446 /nfs/dbraw/zinc/21/74/46/829217446.db2.gz WHNNBQWNZSYDFQ-DGCLKSJQSA-N 2 0 339.440 -0.589 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790813 829218024 /nfs/dbraw/zinc/21/80/24/829218024.db2.gz WHNNBQWNZSYDFQ-WCQYABFASA-N 2 0 339.440 -0.589 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1)C(=O)NC(N)=O ZINC001186090786 833388459 /nfs/dbraw/zinc/38/84/59/833388459.db2.gz QBBNHDLQNOLIQG-WCQYABFASA-N 2 0 339.440 -0.508 20 0 EBADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001186235292 833393104 /nfs/dbraw/zinc/39/31/04/833393104.db2.gz SQDAQFLVZPSABU-CABCVRRESA-N 2 0 339.440 -0.744 20 0 EBADRP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)cc1 ZINC001186355587 833398128 /nfs/dbraw/zinc/39/81/28/833398128.db2.gz HXXVSTNTYRHFGA-CQSZACIVSA-N 2 0 347.419 -0.253 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132283988 829406092 /nfs/dbraw/zinc/40/60/92/829406092.db2.gz QWVWXMBLQPCUNT-UHFFFAOYSA-N 2 0 341.456 -0.198 20 0 EBADRP CC(C)(C(=O)NCC[NH2+]CCN1C(=O)CNC1=O)[NH+]1CCCC1 ZINC001132284160 829406151 /nfs/dbraw/zinc/40/61/51/829406151.db2.gz YWFXVBMEFADWEZ-UHFFFAOYSA-N 2 0 325.413 -0.882 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132283704 829406163 /nfs/dbraw/zinc/40/61/63/829406163.db2.gz DQINQBZIXLKQCX-CQSZACIVSA-N 2 0 331.457 -0.410 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132283895 829406174 /nfs/dbraw/zinc/40/61/74/829406174.db2.gz NKYPSNPGSINYJL-UHFFFAOYSA-N 2 0 328.457 -0.281 20 0 EBADRP CC(C)(C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O)[NH+]1CCCC1 ZINC001132284104 829406190 /nfs/dbraw/zinc/40/61/90/829406190.db2.gz WEACOMFBOQWMJC-UHFFFAOYSA-N 2 0 339.440 -0.492 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C[NH2+]CCO)C3(C2)CCOCC3)C1 ZINC001186551958 833405640 /nfs/dbraw/zinc/40/56/40/833405640.db2.gz AZTKMZOOGJJKJZ-LSDHHAIUSA-N 2 0 325.453 -0.225 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001132738941 829513218 /nfs/dbraw/zinc/51/32/18/829513218.db2.gz KTBIOVCGUKARLR-CYBMUJFWSA-N 2 0 339.440 -0.634 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001132853355 829538103 /nfs/dbraw/zinc/53/81/03/829538103.db2.gz ZTOUHPSWLUEQEN-GJZGRUSLSA-N 2 0 339.440 -0.941 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001132886659 829545055 /nfs/dbraw/zinc/54/50/55/829545055.db2.gz QNYVPLVMNRNIIB-KBPBESRZSA-N 2 0 326.441 -0.719 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001186732395 833423834 /nfs/dbraw/zinc/42/38/34/833423834.db2.gz VYNBNBZTNFLSOU-CYBMUJFWSA-N 2 0 339.440 -0.508 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)s1 ZINC001132993301 829568794 /nfs/dbraw/zinc/56/87/94/829568794.db2.gz SFGZEYFFCKPMLC-UHFFFAOYSA-N 2 0 340.453 -0.167 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)CC1 ZINC001132994855 829569055 /nfs/dbraw/zinc/56/90/55/829569055.db2.gz DXVDJWHNJVZKJR-CYBMUJFWSA-N 2 0 326.441 -0.813 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132998279 829570366 /nfs/dbraw/zinc/57/03/66/829570366.db2.gz RHNBXRCVGGPGIF-CYBMUJFWSA-N 2 0 328.457 -0.425 20 0 EBADRP CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132998398 829570629 /nfs/dbraw/zinc/57/06/29/829570629.db2.gz SSJWDFYOCHPYGU-AWEZNQCLSA-N 2 0 342.484 -0.035 20 0 EBADRP C[NH+](C)CCCC(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001133051255 829577610 /nfs/dbraw/zinc/57/76/10/829577610.db2.gz BPOQXTAWWLQPHN-UHFFFAOYSA-N 2 0 329.445 -0.342 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133051781 829578851 /nfs/dbraw/zinc/57/88/51/829578851.db2.gz OIKFEGVREJEEKA-UHFFFAOYSA-N 2 0 329.445 -0.340 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001186807608 833429254 /nfs/dbraw/zinc/42/92/54/833429254.db2.gz BFKMNXRIZVJQIH-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001133092098 829582423 /nfs/dbraw/zinc/58/24/23/829582423.db2.gz YQHAQPPPFGMJNE-STQMWFEESA-N 2 0 338.456 -0.366 20 0 EBADRP C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001133091519 829582857 /nfs/dbraw/zinc/58/28/57/829582857.db2.gz RXQYPCJKITULOA-UONOGXRCSA-N 2 0 348.513 -0.439 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001186807704 833429383 /nfs/dbraw/zinc/42/93/83/833429383.db2.gz CXJSDPKNJFABMU-QWHCGFSZSA-N 2 0 341.456 -0.247 20 0 EBADRP C[C@H]1CCN(C(=O)COCC[NH+](C)C)C[C@@H]1C[NH2+]CC(=O)N(C)C ZINC001133245455 829610196 /nfs/dbraw/zinc/61/01/96/829610196.db2.gz FFWYSIRCGPZAGL-GJZGRUSLSA-N 2 0 342.484 -0.273 20 0 EBADRP C[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)CC1 ZINC001133282048 829614685 /nfs/dbraw/zinc/61/46/85/829614685.db2.gz YPBVYUIOFQNIBN-ZDUSSCGKSA-N 2 0 326.441 -0.813 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC001133297365 829617989 /nfs/dbraw/zinc/61/79/89/829617989.db2.gz LUYNMGLQOXEMDV-UHFFFAOYSA-N 2 0 327.429 -0.588 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001133347294 829624980 /nfs/dbraw/zinc/62/49/80/829624980.db2.gz VTVGNZYGMKDYAS-STQMWFEESA-N 2 0 341.456 -0.404 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1)[NH+](CC)CC ZINC001133685536 829661790 /nfs/dbraw/zinc/66/17/90/829661790.db2.gz VMRABPWGQCWEKU-CYBMUJFWSA-N 2 0 341.456 -0.199 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC)[NH+](CC)CC ZINC001133690099 829662123 /nfs/dbraw/zinc/66/21/23/829662123.db2.gz HWHCJHJXMOVCQW-NEPJUHHUSA-N 2 0 329.445 -0.343 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001133819993 829679705 /nfs/dbraw/zinc/67/97/05/829679705.db2.gz URPYOAQYYLAJAS-CYBMUJFWSA-N 2 0 332.470 -0.788 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C)C(=O)Nc1ncccn1 ZINC001133819840 829679973 /nfs/dbraw/zinc/67/99/73/829679973.db2.gz PMXZJOXWLDLXSV-OLZOCXBDSA-N 2 0 334.424 -0.006 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001133824071 829681226 /nfs/dbraw/zinc/68/12/26/829681226.db2.gz XGEWOUQPPMRODZ-GFCCVEGCSA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001133834377 829682045 /nfs/dbraw/zinc/68/20/45/829682045.db2.gz VXBISGXDKHLXFV-CABCVRRESA-N 2 0 343.468 -0.267 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133865470 829689085 /nfs/dbraw/zinc/68/90/85/829689085.db2.gz DILUOIFUVYDCBC-QWHCGFSZSA-N 2 0 341.456 -0.484 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133864232 829689449 /nfs/dbraw/zinc/68/94/49/829689449.db2.gz XJPXZFPNHNVWEU-QWHCGFSZSA-N 2 0 341.456 -0.628 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001133868135 829690330 /nfs/dbraw/zinc/69/03/30/829690330.db2.gz ZPTPWQWLAAECPS-OCCSQVGLSA-N 2 0 326.441 -0.815 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001133869320 829691053 /nfs/dbraw/zinc/69/10/53/829691053.db2.gz DGSGPARLOWPVEQ-CHWSQXEVSA-N 2 0 331.482 -0.285 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCNC(=O)NC(C)(C)C ZINC001133869888 829691421 /nfs/dbraw/zinc/69/14/21/829691421.db2.gz NFXMXTXPYQGVEK-QWHCGFSZSA-N 2 0 327.473 -0.012 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133873191 829691986 /nfs/dbraw/zinc/69/19/86/829691986.db2.gz QEMWBOPXVGBCIK-LBPRGKRZSA-N 2 0 341.456 -0.342 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)C[N@@H+]2CCC(C)(C)C2)CCO1 ZINC001133896937 829695608 /nfs/dbraw/zinc/69/56/08/829695608.db2.gz WMQUKLDTMXHZTN-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)[NH+](C)C ZINC001133968576 829708016 /nfs/dbraw/zinc/70/80/16/829708016.db2.gz ZMILSGZVAWXZAP-RYUDHWBXSA-N 2 0 329.445 -0.345 20 0 EBADRP C[C@H](COCC(=O)NCC[NH2+]CC(=O)N1CCCC1)[NH+]1CCCC1 ZINC001134021073 829713171 /nfs/dbraw/zinc/71/31/71/829713171.db2.gz QFDVRKUQQQWENR-OAHLLOKOSA-N 2 0 340.468 -0.185 20 0 EBADRP C[C@@H](COCC(=O)NCC[NH2+][C@H]1CCN(C)C1=O)[NH+]1CCCC1 ZINC001134020833 829713509 /nfs/dbraw/zinc/71/35/09/829713509.db2.gz IGRZGNMWXMQKIH-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H](COCC(=O)NCC[NH2+]CCN1CCNC1=O)[NH+]1CCCC1 ZINC001134021023 829713525 /nfs/dbraw/zinc/71/35/25/829713525.db2.gz ODLOJCAZGBNLNZ-AWEZNQCLSA-N 2 0 341.456 -0.782 20 0 EBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)COC[C@@H](C)[NH+]2CCCC2)C1=O ZINC001134021230 829714489 /nfs/dbraw/zinc/71/44/89/829714489.db2.gz VNTZHQOBQIATIC-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H](C(=O)NCC[NH2+]CCN1CCNC1=O)[NH+]1CCCCCC1 ZINC001134757208 829840353 /nfs/dbraw/zinc/84/03/53/829840353.db2.gz MIIIPAVYMXBKSM-AWEZNQCLSA-N 2 0 325.457 -0.018 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001134763383 829841251 /nfs/dbraw/zinc/84/12/51/829841251.db2.gz WOSWAJRNMXGEEV-LBPRGKRZSA-N 2 0 327.429 -0.589 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135095388 829896903 /nfs/dbraw/zinc/89/69/03/829896903.db2.gz GNRSCOJGPMIMNP-CABCVRRESA-N 2 0 340.468 -0.138 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135093350 829896935 /nfs/dbraw/zinc/89/69/35/829896935.db2.gz LQFLFLPBJAESLY-CABCVRRESA-N 2 0 340.468 -0.138 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NCC[NH2+]CC(=O)N2CCCC2)cn1 ZINC001135115165 829900258 /nfs/dbraw/zinc/90/02/58/829900258.db2.gz VKHJTUFLZFGLBO-UHFFFAOYSA-N 2 0 336.440 -0.614 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299033 829942812 /nfs/dbraw/zinc/94/28/12/829942812.db2.gz SMWSGXOKRVPDAC-RYUDHWBXSA-N 2 0 338.456 -0.177 20 0 EBADRP C[NH+](C)Cc1ccc(C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)cc1 ZINC001135334795 829946665 /nfs/dbraw/zinc/94/66/65/829946665.db2.gz VTZPAYKVJGGGDH-AWEZNQCLSA-N 2 0 332.404 -0.127 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135337325 829947401 /nfs/dbraw/zinc/94/74/01/829947401.db2.gz ZXGBQXUPKGYCBI-LBPRGKRZSA-N 2 0 349.435 -0.088 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CCN1C(=O)CCC1=O)NC(=O)CC[NH+](C)C ZINC001135380254 829956214 /nfs/dbraw/zinc/95/62/14/829956214.db2.gz XJCQGJRVEIYULG-CHWSQXEVSA-N 2 0 326.441 -0.040 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135373207 829956310 /nfs/dbraw/zinc/95/63/10/829956310.db2.gz VLAZQFKAERZINW-QWHCGFSZSA-N 2 0 336.502 -0.250 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)Nc1ccccc1C(N)=O ZINC001135511415 829978760 /nfs/dbraw/zinc/97/87/60/829978760.db2.gz RIDBYRXKTNSSBJ-UHFFFAOYSA-N 2 0 349.435 -0.228 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@H](C)C(=O)NC[C@H]1CCCO1 ZINC001135513652 829980232 /nfs/dbraw/zinc/98/02/32/829980232.db2.gz SYMXAMJOPJFOAE-ZIAGYGMSSA-N 2 0 328.457 -0.282 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]Cc1cnnn1C)NC(=O)COCC[NH+](C)C ZINC001135922725 830046395 /nfs/dbraw/zinc/04/63/95/830046395.db2.gz AGPGGEVHWJYSNJ-CHWSQXEVSA-N 2 0 326.445 -0.234 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CCn1cncn1)NC(=O)COCC[NH+](C)C ZINC001135925051 830047978 /nfs/dbraw/zinc/04/79/78/830047978.db2.gz XMHHWCVPGHECAL-UONOGXRCSA-N 2 0 326.445 -0.271 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CCN1CCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938865 830048871 /nfs/dbraw/zinc/04/88/71/830048871.db2.gz PTMHOINPJWDWLO-ZIAGYGMSSA-N 2 0 337.468 -0.020 20 0 EBADRP CC(C)[C@H](C)NC(=O)C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135959237 830051546 /nfs/dbraw/zinc/05/15/46/830051546.db2.gz MSUIZSYOCWFUHA-AWEZNQCLSA-N 2 0 342.484 -0.036 20 0 EBADRP CN1CCC[C@@H]([NH2+]CCNC(=O)COC2CC[NH+](C)CC2)C1=O ZINC001135959336 830051752 /nfs/dbraw/zinc/05/17/52/830051752.db2.gz OSPPJOHOLJZWEJ-CQSZACIVSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]CC(=O)NC(C)(C)C)CC1 ZINC001135959218 830052292 /nfs/dbraw/zinc/05/22/92/830052292.db2.gz MBGIGPPYPFKBCG-UHFFFAOYSA-N 2 0 328.457 -0.282 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001135995803 830058148 /nfs/dbraw/zinc/05/81/48/830058148.db2.gz LCFBKATYZVUBSG-NWDGAFQWSA-N 2 0 329.445 -0.214 20 0 EBADRP CN(CC(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1)C(N)=[NH2+] ZINC001144130700 830158619 /nfs/dbraw/zinc/15/86/19/830158619.db2.gz OZBFAFKZILTDCW-UHFFFAOYSA-N 2 0 344.379 -0.531 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)C[NH+]1CCCC1 ZINC001146409173 830197433 /nfs/dbraw/zinc/19/74/33/830197433.db2.gz VGCYMYYKZJBUJY-CHWSQXEVSA-N 2 0 334.486 -0.496 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001146594216 830211310 /nfs/dbraw/zinc/21/13/10/830211310.db2.gz SAVBNQVKWUDLDW-NWDGAFQWSA-N 2 0 326.445 -0.179 20 0 EBADRP CS(=O)(=O)CC[NH2+]CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001147333640 830323511 /nfs/dbraw/zinc/32/35/11/830323511.db2.gz RYMIUYYSARWUCT-UHFFFAOYSA-N 2 0 331.482 -0.141 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001147573253 830365776 /nfs/dbraw/zinc/36/57/76/830365776.db2.gz ZCMYZBCKPWBPHH-HOTGVXAUSA-N 2 0 337.464 -0.130 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001147885966 830426126 /nfs/dbraw/zinc/42/61/26/830426126.db2.gz QRANKUDOSPVAKO-KBPBESRZSA-N 2 0 346.497 -0.685 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001147885326 830426582 /nfs/dbraw/zinc/42/65/82/830426582.db2.gz LZLUTBJJGLLLSV-KGLIPLIRSA-N 2 0 326.441 -0.671 20 0 EBADRP COCCS(=O)(=O)CCC[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147994538 830434832 /nfs/dbraw/zinc/43/48/32/830434832.db2.gz IZBQIVPLPQOXTG-UHFFFAOYSA-N 2 0 347.481 -0.761 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148058245 830445673 /nfs/dbraw/zinc/44/56/73/830445673.db2.gz UOSPJHRTQTWXDW-JTQLQIEISA-N 2 0 336.396 -0.689 20 0 EBADRP C[NH+](C)[C@H](C(=O)NC[C@@H]1C[N@H+](CCOCCO)CCCO1)C1CC1 ZINC001149842019 830760566 /nfs/dbraw/zinc/76/05/66/830760566.db2.gz OBKHSQACNHHVQE-CVEARBPZSA-N 2 0 343.468 -0.457 20 0 EBADRP C[C@@H](COCC(=O)NC[C@@H]1C[N@H+](CCO)CCCO1)[NH+]1CCCC1 ZINC001150334343 830866449 /nfs/dbraw/zinc/86/64/49/830866449.db2.gz VCOULKFBIGOSPM-JKSUJKDBSA-N 2 0 343.468 -0.313 20 0 EBADRP CO[C@H](C)C[N@@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150590072 830940416 /nfs/dbraw/zinc/94/04/16/830940416.db2.gz YDJGIHOCUIELAJ-CABCVRRESA-N 2 0 331.457 -0.193 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[NH+](CCOCCO)CCCO2)C1 ZINC001150699075 830963244 /nfs/dbraw/zinc/96/32/44/830963244.db2.gz FGVXTEQWDROTJO-CABCVRRESA-N 2 0 329.441 -0.846 20 0 EBADRP COCCOCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001150699833 830964989 /nfs/dbraw/zinc/96/49/89/830964989.db2.gz NZXKOXRBKIGJHB-HZPDHXFCSA-N 2 0 343.468 -0.192 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@H]1C[N@H+](CCOCCO)CCCO1 ZINC001150716243 830970046 /nfs/dbraw/zinc/97/00/46/830970046.db2.gz PLOZXALMRYYTQO-HNNXBMFYSA-N 2 0 329.441 -0.702 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150779231 830982365 /nfs/dbraw/zinc/98/23/65/830982365.db2.gz QKTGTRYOSOILKF-HUUCEWRRSA-N 2 0 331.457 -0.459 20 0 EBADRP COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151064390 831018386 /nfs/dbraw/zinc/01/83/86/831018386.db2.gz BDFDGWACMSVTQF-ZDUSSCGKSA-N 2 0 335.470 -0.905 20 0 EBADRP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151066330 831019437 /nfs/dbraw/zinc/01/94/37/831019437.db2.gz SSHUFQBRGLWWDK-OLZOCXBDSA-N 2 0 341.456 -0.486 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC001151073233 831022477 /nfs/dbraw/zinc/02/24/77/831022477.db2.gz HFOSTKPRTALHGL-LBPRGKRZSA-N 2 0 339.440 -0.636 20 0 EBADRP CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151107419 831026069 /nfs/dbraw/zinc/02/60/69/831026069.db2.gz UYQQQYHTUNHJAW-UHFFFAOYSA-N 2 0 328.457 -0.281 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001152147986 831134018 /nfs/dbraw/zinc/13/40/18/831134018.db2.gz NRJGMXJZQYQVAE-STQMWFEESA-N 2 0 339.440 -0.493 20 0 EBADRP O=C(CCC[NH+]1CCCC1)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001152222888 831143619 /nfs/dbraw/zinc/14/36/19/831143619.db2.gz FRUJCMKEGHJHSR-UHFFFAOYSA-N 2 0 346.497 -0.396 20 0 EBADRP O=C(CC[NH+]1CCCCC1)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001152340912 831153714 /nfs/dbraw/zinc/15/37/14/831153714.db2.gz ZLBWAZGUXLKUCF-HNNXBMFYSA-N 2 0 340.468 -0.449 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)CC[NH+]2CCCCC2)CCO1 ZINC001152347838 831154284 /nfs/dbraw/zinc/15/42/84/831154284.db2.gz IHIYURMQFWEZMS-OAHLLOKOSA-N 2 0 340.468 -0.185 20 0 EBADRP C[NH+](C)Cc1ccccc1C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001152394058 831158684 /nfs/dbraw/zinc/15/86/84/831158684.db2.gz ZDIMQMPZZMFURQ-UHFFFAOYSA-N 2 0 348.447 -0.074 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CC(=O)Nc1ccccc1C(N)=O ZINC001152425998 831161965 /nfs/dbraw/zinc/16/19/65/831161965.db2.gz AMKHAERZJGXIOE-UHFFFAOYSA-N 2 0 349.435 -0.230 20 0 EBADRP CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152446037 831164252 /nfs/dbraw/zinc/16/42/52/831164252.db2.gz ROTSFXWVTJRUMS-ZDUSSCGKSA-N 2 0 343.472 -0.097 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152470729 831165443 /nfs/dbraw/zinc/16/54/43/831165443.db2.gz GCWHZBZCISXWHF-CHWSQXEVSA-N 2 0 341.456 -0.343 20 0 EBADRP C[NH+]1CCN(c2ccc(NCc3nnn4c3C[NH2+]CCC4)nn2)CC1 ZINC001155391120 831404195 /nfs/dbraw/zinc/40/41/95/831404195.db2.gz VKGGDMLMIVTSJZ-UHFFFAOYSA-N 2 0 343.439 -0.075 20 0 EBADRP O=C(c1cccnc1N[C@]12CC[NH2+][C@@H]1CC(=O)N2)N1CC[NH2+]CC1 ZINC001155574715 831414405 /nfs/dbraw/zinc/41/44/05/831414405.db2.gz JIJWJUQRXHZMOC-MLGOLLRUSA-N 2 0 330.392 -0.883 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155790634 831429892 /nfs/dbraw/zinc/42/98/92/831429892.db2.gz KRBGKYMVQXEBOI-NEPJUHHUSA-N 2 0 327.429 -0.589 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001155789917 831430083 /nfs/dbraw/zinc/43/00/83/831430083.db2.gz HRHMPOONJSBFHF-UONOGXRCSA-N 2 0 326.441 -0.528 20 0 EBADRP [NH2+]=C(NCCCC[NH3+])Nc1nc2c(c(N3CCOCC3)n1)CNC2 ZINC001157100076 831534353 /nfs/dbraw/zinc/53/43/53/831534353.db2.gz ZCYQYQUJHKHTIZ-UHFFFAOYSA-N 2 0 334.428 -0.408 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]CC12CCOCC2 ZINC001157323021 831554050 /nfs/dbraw/zinc/55/40/50/831554050.db2.gz JDJZPTLTWPHLNP-STQMWFEESA-N 2 0 326.441 -0.638 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001157323031 831554131 /nfs/dbraw/zinc/55/41/31/831554131.db2.gz JPACDROCFREPNV-KEYYUXOJSA-N 2 0 340.468 -0.105 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001157323032 831554189 /nfs/dbraw/zinc/55/41/89/831554189.db2.gz JPACDROCFREPNV-ZQIUZPCESA-N 2 0 340.468 -0.105 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C1([NH3+])CCC2(CC1)OCCO2 ZINC001157337520 831555171 /nfs/dbraw/zinc/55/51/71/831555171.db2.gz WZJMIZPVQLUZLC-LBPRGKRZSA-N 2 0 342.440 -0.639 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1CCN2)C(=O)N1CCCC1 ZINC001157370698 831560972 /nfs/dbraw/zinc/56/09/72/831560972.db2.gz GIGYUVNBDICHPF-GRDNDAEWSA-N 2 0 337.468 -0.826 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2)C(=O)N1CCCC1 ZINC001157371444 831562241 /nfs/dbraw/zinc/56/22/41/831562241.db2.gz UZLPTPWWIWBLSQ-WVZRYYJFSA-N 2 0 337.468 -0.556 20 0 EBADRP CCNC(=O)CN(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001157679342 831585426 /nfs/dbraw/zinc/58/54/26/831585426.db2.gz STCVHZWYJJSDHK-STQMWFEESA-N 2 0 341.456 -0.972 20 0 EBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001157715638 831587194 /nfs/dbraw/zinc/58/71/94/831587194.db2.gz HSMKYFXRUXJZDV-KBPBESRZSA-N 2 0 333.436 -0.419 20 0 EBADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001157843268 831597559 /nfs/dbraw/zinc/59/75/59/831597559.db2.gz PWDKZOXTDZOEOQ-RDBSUJKOSA-N 2 0 343.493 -0.013 20 0 EBADRP Cn1[nH]c(C[NH2+]CCCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)nc1=O ZINC001158040473 831623081 /nfs/dbraw/zinc/62/30/81/831623081.db2.gz WZCFVMDASANMFW-QWHCGFSZSA-N 2 0 336.440 -0.421 20 0 EBADRP O=C(C[C@H]1C[NH2+]Cc2cccn2C1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091935 831626840 /nfs/dbraw/zinc/62/68/40/831626840.db2.gz KMAJVPUMIQZAPS-GUYCJALGSA-N 2 0 331.420 -0.712 20 0 EBADRP O=C([C@@H]1C[C@H](Oc2ccccc2)C[NH2+]1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091905 831627102 /nfs/dbraw/zinc/62/71/02/831627102.db2.gz JUWBDYGXRYJIRO-MPGHIAIKSA-N 2 0 344.415 -0.514 20 0 EBADRP [NH3+][C@@H](COCc1ccccc1)CC(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158093481 831627127 /nfs/dbraw/zinc/62/71/27/831627127.db2.gz VQJWXMNCPURPKE-CRAIPNDOSA-N 2 0 346.431 -0.389 20 0 EBADRP O=C(C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158093470 831627168 /nfs/dbraw/zinc/62/71/68/831627168.db2.gz VMDSPFRTWCVRHZ-IAOVAPTHSA-N 2 0 336.436 -0.774 20 0 EBADRP C[NH2+][C@H](C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2)[C@@H](C)OC(C)(C)C ZINC001158091505 831627293 /nfs/dbraw/zinc/62/72/93/831627293.db2.gz DMEIPOOLIHMZNZ-PVXIVEMSSA-N 2 0 326.441 -0.532 20 0 EBADRP [NH3+][C@H](CC(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)Cc1ccncc1 ZINC001158109311 831628935 /nfs/dbraw/zinc/62/89/35/831628935.db2.gz AVIJYLKPQPSZIH-KSSFIOAISA-N 2 0 343.431 -0.720 20 0 EBADRP [NH3+][C@H](Cc1cccc(O)c1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158118992 831629858 /nfs/dbraw/zinc/62/98/58/831629858.db2.gz FLGSJJBQFVVYPD-RDTXWAMCSA-N 2 0 344.415 -0.800 20 0 EBADRP O=C(c1csc2c1CC[NH2+]C2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120469 831630933 /nfs/dbraw/zinc/63/09/33/831630933.db2.gz PRCRYAYTRZCQHS-KRWDZBQOSA-N 2 0 346.456 -0.055 20 0 EBADRP O=C(N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)[C@@]12CCCO[C@@H]1CC[NH2+]C2 ZINC001158121475 831631067 /nfs/dbraw/zinc/63/10/67/831631067.db2.gz UUJQDDITVOWFOE-FSPWUOQZSA-N 2 0 348.447 -0.917 20 0 EBADRP O=C([C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158166982 831634206 /nfs/dbraw/zinc/63/42/06/831634206.db2.gz FVFYYVGXOXDIDQ-ZMSDIMECSA-N 3 0 336.480 -0.103 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC2(COC2)C1 ZINC001158169138 831635170 /nfs/dbraw/zinc/63/51/70/831635170.db2.gz RRTHGQCQISRHDE-KBPBESRZSA-N 2 0 338.452 -0.317 20 0 EBADRP CCOC(=O)c1cc2n(n1)CCCN(C(=O)[C@@]13C[NH2+]C[C@H]1CCN3)C2 ZINC001158189999 831637729 /nfs/dbraw/zinc/63/77/29/831637729.db2.gz BTHFUNQHZVNROM-SJKOYZFVSA-N 2 0 347.419 -0.256 20 0 EBADRP CN(CC[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)S(C)(=O)=O ZINC001158197352 831638829 /nfs/dbraw/zinc/63/88/29/831638829.db2.gz XAEKZRHSGKLOPE-AWEZNQCLSA-N 2 0 346.497 -0.685 20 0 EBADRP O=C(NCCC[NH2+]CCN1C(=O)CCC1=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158202421 831638855 /nfs/dbraw/zinc/63/88/55/831638855.db2.gz UNZZVBAEVKIQCF-AWEZNQCLSA-N 2 0 336.436 -0.427 20 0 EBADRP [NH3+][C@@H]1CCN(C2CCN(c3ccc(N4CC[NH2+]CC4)nn3)CC2)C1 ZINC001158258678 831640669 /nfs/dbraw/zinc/64/06/69/831640669.db2.gz GICAILUAEAVLSM-CQSZACIVSA-N 2 0 331.468 -0.112 20 0 EBADRP [NH3+][C@@H]1CCN(C2CCN(c3cncc(N4CC[NH2+]CC4)n3)CC2)C1 ZINC001158259835 831641022 /nfs/dbraw/zinc/64/10/22/831641022.db2.gz AEDNEOKTYCORFX-CQSZACIVSA-N 2 0 331.468 -0.112 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277689 831642635 /nfs/dbraw/zinc/64/26/35/831642635.db2.gz SAZRHEPSXGFCDW-LBPRGKRZSA-N 2 0 336.440 -0.159 20 0 EBADRP O=C([C@@H]1C[NH2+]C[C@@H]2CCO[C@H]21)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277949 831643010 /nfs/dbraw/zinc/64/30/10/831643010.db2.gz YNUCPJYEDRTXGZ-GZBFAFLISA-N 2 0 346.435 -0.677 20 0 EBADRP Cn1ncc(C[NH2+]CCCNC(=O)c2ccn(CC[NH+](C)C)n2)n1 ZINC001158288560 831643913 /nfs/dbraw/zinc/64/39/13/831643913.db2.gz XBGCATBWUAIUNY-UHFFFAOYSA-N 2 0 334.428 -0.517 20 0 EBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC001158319635 831646224 /nfs/dbraw/zinc/64/62/24/831646224.db2.gz KLGMMNXHDLZARP-HUUCEWRRSA-N 2 0 326.400 -0.165 20 0 EBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158326927 831647231 /nfs/dbraw/zinc/64/72/31/831647231.db2.gz ASBJBNZMIJYFFV-RRFJBIMHSA-N 2 0 331.420 -0.140 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158420464 831653270 /nfs/dbraw/zinc/65/32/70/831653270.db2.gz FHKUBXXTQVDZSJ-ZIAGYGMSSA-N 2 0 328.457 -0.425 20 0 EBADRP O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158423047 831653643 /nfs/dbraw/zinc/65/36/43/831653643.db2.gz MHZHPLWYAACPOI-AVGNSLFASA-N 2 0 327.450 -0.636 20 0 EBADRP COc1ccc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)nn1 ZINC001158486586 831658346 /nfs/dbraw/zinc/65/83/46/831658346.db2.gz OSEANZBLEQLZPE-LSDHHAIUSA-N 2 0 349.435 -0.056 20 0 EBADRP CN(C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC1 ZINC001158487321 831660186 /nfs/dbraw/zinc/66/01/86/831660186.db2.gz XYRQLTAIBYJNQK-LSDHHAIUSA-N 2 0 338.452 -0.434 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)CN(C)[C@@H]1CCC[NH2+]C1 ZINC001158498696 831661100 /nfs/dbraw/zinc/66/11/00/831661100.db2.gz SMORIYGOLFYOPT-LJISPDSOSA-N 2 0 338.452 -0.578 20 0 EBADRP COCCOCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158508895 831662018 /nfs/dbraw/zinc/66/20/18/831662018.db2.gz YBBYHRVDFXFRFR-CABCVRRESA-N 2 0 329.441 -0.392 20 0 EBADRP O=C([C@@H]1C[NH2+]CC12CCOCC2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158532600 831662994 /nfs/dbraw/zinc/66/29/94/831662994.db2.gz CTQZWAZWDWURPM-JTOWHCCKSA-N 2 0 335.448 -0.018 20 0 EBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158576251 831666903 /nfs/dbraw/zinc/66/69/03/831666903.db2.gz AVBGNSPNVBSVPI-SRVKXCTJSA-N 2 0 332.445 -0.324 20 0 EBADRP [NH3+]C1([C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C34C[NH2+]C4)C[C@@H]2CF)CC1 ZINC001158567705 831667078 /nfs/dbraw/zinc/66/70/78/831667078.db2.gz KHVRJZNUVVXQRV-SDDRHHMPSA-N 2 0 345.440 -0.702 20 0 EBADRP N[C@@]1(C(=O)N(Cc2noc3c2C[NH2+]CC3)c2ncccn2)CC[NH2+]C1 ZINC001158660440 831676024 /nfs/dbraw/zinc/67/60/24/831676024.db2.gz SGJZVAKIWDRROW-INIZCTEOSA-N 2 0 343.391 -0.666 20 0 EBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC001158734971 831682059 /nfs/dbraw/zinc/68/20/59/831682059.db2.gz IPTVWKNBRDNQGH-MWLCHTKSSA-N 2 0 342.421 -0.264 20 0 EBADRP CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001158790371 831686703 /nfs/dbraw/zinc/68/67/03/831686703.db2.gz LLEMJNYIVHYKQQ-TZMCWYRMSA-N 2 0 336.440 -0.303 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001158810239 831688507 /nfs/dbraw/zinc/68/85/07/831688507.db2.gz DHVHPWNKHYNROY-GBJTYRQASA-N 2 0 338.452 -0.319 20 0 EBADRP O=C([C@H]1C[NH2+]CCN1)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158903257 831694634 /nfs/dbraw/zinc/69/46/34/831694634.db2.gz MWUBIFAMDJWUAM-SUYBPPKGSA-N 2 0 349.410 -0.364 20 0 EBADRP [NH3+][C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1)C1CC[NH2+]CC1 ZINC001158968101 831698608 /nfs/dbraw/zinc/69/86/08/831698608.db2.gz LRMXBUJFTWPKLC-QLFBSQMISA-N 2 0 346.435 -0.781 20 0 EBADRP C[NH2+]CCC(=O)N1CCc2c(n(C)nc2C(=O)N2CCN(C)CC2)C1 ZINC001159074011 831706867 /nfs/dbraw/zinc/70/68/67/831706867.db2.gz HFNPADMDRYOFFJ-UHFFFAOYSA-N 2 0 348.451 -0.698 20 0 EBADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001159132519 831710119 /nfs/dbraw/zinc/71/01/19/831710119.db2.gz AGJBWLZDHLROAV-OLZOCXBDSA-N 3 0 340.497 -0.578 20 0 EBADRP O=C([C@@H]1C[NH2+]C[C@H]1O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159158049 831713736 /nfs/dbraw/zinc/71/37/36/831713736.db2.gz LAMVWFKCIXICBN-HUUCEWRRSA-N 2 0 333.436 -0.556 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001159209836 831721346 /nfs/dbraw/zinc/72/13/46/831721346.db2.gz NHPIOGBGXIWGRF-CAOSSQGBSA-N 2 0 334.420 -0.110 20 0 EBADRP Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@@H]([NH3+])CCC[NH3+])cn1 ZINC001159237180 831726485 /nfs/dbraw/zinc/72/64/85/831726485.db2.gz XVBXTBAUSRJAFI-MELADBBJSA-N 2 0 334.424 -0.698 20 0 EBADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@H]2[C@@H]4C[NH2+]C[C@@H]42)CC3)CC1 ZINC001159416976 831750885 /nfs/dbraw/zinc/75/08/85/831750885.db2.gz IZPCKNJGVWPSKQ-QLPKVWCKSA-N 2 0 344.463 -0.562 20 0 EBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)C[C@@H]3COCC[NH2+]3)CC[C@@H]2C1 ZINC001159635704 831768332 /nfs/dbraw/zinc/76/83/32/831768332.db2.gz PZZDMHXJZZJDPS-BZUAXINKSA-N 2 0 341.452 -0.439 20 0 EBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159664418 831770616 /nfs/dbraw/zinc/77/06/16/831770616.db2.gz DPAFOXIHNXYLMZ-QZWWFDLISA-N 2 0 345.447 -0.570 20 0 EBADRP N[C@]1(C(=O)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)CC[NH2+]C1 ZINC001159666277 831772157 /nfs/dbraw/zinc/77/21/57/831772157.db2.gz PZESEGDGRFWANR-SOLBZPMBSA-N 2 0 345.447 -0.426 20 0 EBADRP Cn1cc(N2C[C@]3(CCN(C(=O)[C@H]([NH3+])CCC[NH3+])C3)CC2=O)cn1 ZINC001159750405 831778643 /nfs/dbraw/zinc/77/86/43/831778643.db2.gz KEEOKLCJGFUWBE-CZUORRHYSA-N 2 0 334.424 -0.558 20 0 EBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001159838706 831787197 /nfs/dbraw/zinc/78/71/97/831787197.db2.gz NWWSXWFHBJXQJG-CQSZACIVSA-N 2 0 348.513 -0.391 20 0 EBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001159847190 831788294 /nfs/dbraw/zinc/78/82/94/831788294.db2.gz UTJCMURNQFFIDB-OLZOCXBDSA-N 2 0 341.456 -0.356 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001159868382 831789800 /nfs/dbraw/zinc/78/98/00/831789800.db2.gz BUBCZJGIHGIJMW-UKRRQHHQSA-N 2 0 340.468 -0.140 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001159908727 831795430 /nfs/dbraw/zinc/79/54/30/831795430.db2.gz JJVAQNWHEPWQEK-CYBMUJFWSA-N 2 0 339.440 -0.316 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CC(=O)Nc1nncs1)C1CC1 ZINC001159915752 831797253 /nfs/dbraw/zinc/79/72/53/831797253.db2.gz NBJHXEGNAXMDNQ-LBPRGKRZSA-N 2 0 340.453 -0.087 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O)C1CC1 ZINC001159925050 831797795 /nfs/dbraw/zinc/79/77/95/831797795.db2.gz NUCVXHHXBUMMEH-GOEBONIOSA-N 2 0 340.468 -0.594 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159932830 831799268 /nfs/dbraw/zinc/79/92/68/831799268.db2.gz VZHHLQGPSQUFAN-AWEZNQCLSA-N 2 0 348.513 -0.296 20 0 EBADRP [NH3+]CCC[NH2+]CC(=O)N1CCCn2cnc(Cn3cccn3)c2C1 ZINC001159979565 831802053 /nfs/dbraw/zinc/80/20/53/831802053.db2.gz CJYUYYQIGRHBPM-UHFFFAOYSA-N 2 0 331.424 -0.201 20 0 EBADRP C[N@H+](CC(=O)NCCC[NH2+]CC(=O)Nc1cnccn1)C1CCC1 ZINC001159997084 831803031 /nfs/dbraw/zinc/80/30/31/831803031.db2.gz FJUGUJNQCIDKLL-UHFFFAOYSA-N 2 0 334.424 -0.005 20 0 EBADRP C[N@H+](CC(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1)C1CCC1 ZINC001159997097 831803484 /nfs/dbraw/zinc/80/34/84/831803484.db2.gz FSSXDJWIXBJAEV-UHFFFAOYSA-N 2 0 339.440 -0.445 20 0 EBADRP Cc1ccc(N(C(=O)CNCC[NH3+])[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160060463 831811240 /nfs/dbraw/zinc/81/12/40/831811240.db2.gz VGPWKWMQJNSKJJ-RHSMWYFYSA-N 2 0 348.451 -0.423 20 0 EBADRP [NH3+]CCC[NH2+]CC(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001160085804 831813762 /nfs/dbraw/zinc/81/37/62/831813762.db2.gz NNVRTKDAAWQOQJ-YJBOKZPZSA-N 2 0 345.447 -0.125 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001160274159 831830548 /nfs/dbraw/zinc/83/05/48/831830548.db2.gz POYGKWMSNQCBJG-STQMWFEESA-N 2 0 341.456 -0.199 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001160272507 831830571 /nfs/dbraw/zinc/83/05/71/831830571.db2.gz BSBKWWCNUQSQNM-CQSZACIVSA-N 2 0 348.513 -0.104 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001160274780 831831033 /nfs/dbraw/zinc/83/10/33/831831033.db2.gz WYRZHVJVQBYBIZ-CYBMUJFWSA-N 2 0 339.440 -0.492 20 0 EBADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001160390474 831842946 /nfs/dbraw/zinc/84/29/46/831842946.db2.gz BMBCPDKYLMLQPF-KGLIPLIRSA-N 2 0 338.452 -0.888 20 0 EBADRP COCCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C1CC[NH+](C)CC1 ZINC001160438918 831850552 /nfs/dbraw/zinc/85/05/52/831850552.db2.gz DEANVMQKMIIKJD-INIZCTEOSA-N 3 0 341.500 -0.694 20 0 EBADRP COCCN(C(=O)CN1CCCC[C@H]([NH3+])C1=O)C1CC[NH+](C)CC1 ZINC001160441915 831851601 /nfs/dbraw/zinc/85/16/01/831851601.db2.gz ZQXGHXWLMGVQLK-HNNXBMFYSA-N 2 0 340.468 -0.105 20 0 EBADRP CCN(CCC(N)=O)C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160471118 831853414 /nfs/dbraw/zinc/85/34/14/831853414.db2.gz PDFXPKIDQGSQCW-STQMWFEESA-N 2 0 341.456 -0.842 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC001160484974 831856318 /nfs/dbraw/zinc/85/63/18/831856318.db2.gz LVRUPRSLUWXUDK-HNNXBMFYSA-N 2 0 339.484 -0.401 20 0 EBADRP O=C([C@H]1C[NH2+]C[C@H]1O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160588382 831867029 /nfs/dbraw/zinc/86/70/29/831867029.db2.gz ALWPHZNEVJRIIZ-GXTWGEPZSA-N 2 0 330.388 -0.577 20 0 EBADRP CN1CCN(C2CN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C2)CC1=O ZINC001160634508 831872290 /nfs/dbraw/zinc/87/22/90/831872290.db2.gz BPAIOVJDHVUEBY-AWEZNQCLSA-N 2 0 325.457 -0.970 20 0 EBADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C[C@@H]1F ZINC001160650173 831876073 /nfs/dbraw/zinc/87/60/73/831876073.db2.gz SNUZMNVNSTWDDV-GRYCIOLGSA-N 2 0 333.429 -0.702 20 0 EBADRP [NH3+][C@@H]1CCN(C(=O)c2ccc3c(c2)[C@@H]2C[NH2+]C[C@H]2NC3=O)C[C@@H]1F ZINC001160649399 831876230 /nfs/dbraw/zinc/87/62/30/831876230.db2.gz KCVWSOJWZPKRBR-BYNSBNAKSA-N 2 0 332.379 -0.003 20 0 EBADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001160669277 831877594 /nfs/dbraw/zinc/87/75/94/831877594.db2.gz ABWLZFIHYDWLQB-CQSZACIVSA-N 2 0 338.452 -0.970 20 0 EBADRP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001160698881 831879131 /nfs/dbraw/zinc/87/91/31/831879131.db2.gz UFFVMZXABIRMPO-HNNXBMFYSA-N 2 0 342.443 -0.015 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3C[C@]34CC[NH2+]C4)C[C@H]1C2 ZINC001160792517 831887501 /nfs/dbraw/zinc/88/75/01/831887501.db2.gz VRWDFLCHVIDXHV-QAOVDPBSSA-N 2 0 333.432 -0.157 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3CCC4(C[NH2+]C4)O3)C[C@H]1C2 ZINC001160791778 831887757 /nfs/dbraw/zinc/88/77/57/831887757.db2.gz BUYHBDLWCJTWLC-FWIBFFJGSA-N 2 0 349.431 -0.636 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)[C@@]34CC[C@@H](N3)[C@H]([NH3+])C4)C[C@H]1C[NH2+]CC2 ZINC001160811309 831889029 /nfs/dbraw/zinc/88/90/29/831889029.db2.gz NHWVJTXLQFEZRT-USXSHJJOSA-N 2 0 336.436 -0.791 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]3CCC4(C[NH2+]C4)O3)C[C@H]1C[NH2+]CC2 ZINC001160811179 831889292 /nfs/dbraw/zinc/88/92/92/831889292.db2.gz MLEFTRZERVMYOT-IIYDPXPESA-N 2 0 337.420 -0.491 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]3C[C@H](OC)CC[NH2+]3)C[C@H]1C[NH2+]CC2 ZINC001160813897 831890014 /nfs/dbraw/zinc/89/00/14/831890014.db2.gz KSPPUPZAQHTANU-VWPFQQQWSA-N 2 0 339.436 -0.245 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001160833855 831892409 /nfs/dbraw/zinc/89/24/09/831892409.db2.gz AUFDDJQKPGGTDA-UHFFFAOYSA-N 2 0 339.440 -0.586 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001160834281 831893263 /nfs/dbraw/zinc/89/32/63/831893263.db2.gz HDOWWRHCVMGHDV-UHFFFAOYSA-N 2 0 346.497 -0.493 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001160867567 831901314 /nfs/dbraw/zinc/90/13/14/831901314.db2.gz HGNJBGWTOGLCGW-STQMWFEESA-N 2 0 339.440 -0.445 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001160882959 831903274 /nfs/dbraw/zinc/90/32/74/831903274.db2.gz CITFMOGFQKVYQI-NWDGAFQWSA-N 2 0 329.445 -0.343 20 0 EBADRP CC[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCO[C@@H](C)C1)[NH+](C)C ZINC001160889266 831903860 /nfs/dbraw/zinc/90/38/60/831903860.db2.gz GKSGJWCAGBHBKO-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[C@H](C(=O)NCCC[NH2+]C[C@@H](O)COC1CCOCC1)[NH+](C)C ZINC001160890250 831904194 /nfs/dbraw/zinc/90/41/94/831904194.db2.gz ZYGZSAGVUPECFY-GDBMZVCRSA-N 2 0 345.484 -0.021 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915950 831906463 /nfs/dbraw/zinc/90/64/63/831906463.db2.gz SGOOVTJNQQQDCN-AAEUAGOBSA-N 2 0 334.424 -0.341 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001160951137 831909461 /nfs/dbraw/zinc/90/94/61/831909461.db2.gz FYMGWXAGDAXHHZ-CYBMUJFWSA-N 2 0 328.457 -0.425 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001160952049 831910282 /nfs/dbraw/zinc/91/02/82/831910282.db2.gz VZACBKMYNKWPNZ-UHFFFAOYSA-N 2 0 349.497 -0.515 20 0 EBADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)N2C[C@@H]([NH3+])CC(F)(F)C2)cc1 ZINC001160972818 831911839 /nfs/dbraw/zinc/91/18/39/831911839.db2.gz SXKHYJQJRWZTEQ-RYUDHWBXSA-N 2 0 326.347 -0.150 20 0 EBADRP O=C(C1CCN([C@@H]2CC[NH2+]C2)CC1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161009196 831913832 /nfs/dbraw/zinc/91/38/32/831913832.db2.gz UKKONWCZZVQEQT-CVEARBPZSA-N 2 0 336.480 -0.224 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001161053508 831918567 /nfs/dbraw/zinc/91/85/67/831918567.db2.gz VJFYJKYBNCGAPY-CYBMUJFWSA-N 2 0 339.440 -0.492 20 0 EBADRP CN(C(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2)C1(C)CC[NH2+]CC1 ZINC001161066583 831919073 /nfs/dbraw/zinc/91/90/73/831919073.db2.gz BMGXXBRVMQSSNZ-LBPRGKRZSA-N 2 0 333.440 -0.475 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+]1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161106961 831928139 /nfs/dbraw/zinc/92/81/39/831928139.db2.gz SCCNERPZWGNBAV-GFCCVEGCSA-N 2 0 339.440 -0.340 20 0 EBADRP CCOC(=O)CN(CCC[NH3+])C(=O)C1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001161158374 831934109 /nfs/dbraw/zinc/93/41/09/831934109.db2.gz UEEKRKWOUHEWGZ-HNNXBMFYSA-N 2 0 340.468 -0.199 20 0 EBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@]12CCCO[C@@H]1CC[NH2+]C2 ZINC001161158074 831934114 /nfs/dbraw/zinc/93/41/14/831934114.db2.gz OXJROIYAOCBNQW-CZUORRHYSA-N 2 0 327.425 -0.114 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001161226612 831938937 /nfs/dbraw/zinc/93/89/37/831938937.db2.gz LELYHOUDXBPFKA-CQSZACIVSA-N 2 0 342.484 -0.035 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCCN(c2cccnc2)CC1 ZINC001161239883 831940969 /nfs/dbraw/zinc/94/09/69/831940969.db2.gz STGFBJQHPQTIHI-KRWDZBQOSA-N 2 0 346.479 -0.129 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161269538 831943286 /nfs/dbraw/zinc/94/32/86/831943286.db2.gz HLLFGGNSEZGMAA-AWEZNQCLSA-N 2 0 346.497 -0.141 20 0 EBADRP COc1cnc(O[C@@H]2CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2)nc1 ZINC001161298177 831945473 /nfs/dbraw/zinc/94/54/73/831945473.db2.gz HWIZZFIBYJMBSP-PWSUYJOCSA-N 2 0 341.437 -0.516 20 0 EBADRP Cc1cccc(N(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)C2CC[NH2+]CC2)n1 ZINC001161304045 831946536 /nfs/dbraw/zinc/94/65/36/831946536.db2.gz TVQDKOTWFBEKDE-OAHLLOKOSA-N 2 0 345.447 -0.195 20 0 EBADRP CCN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC001161341591 831950012 /nfs/dbraw/zinc/95/00/12/831950012.db2.gz WXUCXLPDDIAGDT-STQMWFEESA-N 2 0 328.457 -0.155 20 0 EBADRP COc1ccnc(OC2CCN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)CC2)n1 ZINC001161367774 831950589 /nfs/dbraw/zinc/95/05/89/831950589.db2.gz TUBFIZUVKJKBHU-CYBMUJFWSA-N 2 0 347.419 -0.336 20 0 EBADRP CN(CCC(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O)c1cc[nH+]cc1 ZINC001161408119 831954270 /nfs/dbraw/zinc/95/42/70/831954270.db2.gz QHLGWYGQQRXHTI-AWEZNQCLSA-N 2 0 347.419 -0.191 20 0 EBADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001161412286 831955040 /nfs/dbraw/zinc/95/50/40/831955040.db2.gz IQPGTHOPMKLISN-VGWMRTNUSA-N 2 0 330.432 -0.132 20 0 EBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161449168 831958584 /nfs/dbraw/zinc/95/85/84/831958584.db2.gz KQNVNMUKXUVGCD-CVEARBPZSA-N 3 0 341.500 -0.238 20 0 EBADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161448346 831958793 /nfs/dbraw/zinc/95/87/93/831958793.db2.gz BRSJLDYCPNSDOO-RRFJBIMHSA-N 3 0 326.441 -0.720 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])C1CCOCC1)CC2 ZINC001161476566 831962213 /nfs/dbraw/zinc/96/22/13/831962213.db2.gz DNQHOCFQQXHASV-WWGRRREGSA-N 2 0 325.409 -0.506 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1CCSC13C[NH2+]C3)CC2 ZINC001161478762 831963639 /nfs/dbraw/zinc/96/36/39/831963639.db2.gz NYOOCEGAHVPZPY-HUBLWGQQSA-N 2 0 339.461 -0.165 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])C1CCC(O)CC1)CC2 ZINC001161481957 831964199 /nfs/dbraw/zinc/96/41/99/831964199.db2.gz UPXGAVNBKDYVCR-PSGLBKBZSA-N 2 0 339.436 -0.382 20 0 EBADRP CO[C@@H]1CN(C(=O)c2ccc3c(c2)[C@@H]2C[NH2+]C[C@H]2NC3=O)C[C@@H]1[NH3+] ZINC001161493191 831965954 /nfs/dbraw/zinc/96/59/54/831965954.db2.gz GIEZGCCJXBSVPX-BYNSBNAKSA-N 2 0 330.388 -0.717 20 0 EBADRP C[C@@H]1CN(C2CN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)C2)C[C@@H](C)O1 ZINC001161499117 831967056 /nfs/dbraw/zinc/96/70/56/831967056.db2.gz NYFRSJNKDWOQHM-IOASZLSFSA-N 2 0 339.484 -0.943 20 0 EBADRP CCOC(=O)c1c2c(nn1C)CN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)C2 ZINC001161601932 831977395 /nfs/dbraw/zinc/97/73/95/831977395.db2.gz PNKLQVSCDYQHQK-PIGZYNQJSA-N 2 0 347.419 -0.362 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001161649520 831980488 /nfs/dbraw/zinc/98/04/88/831980488.db2.gz KYYSBKZWQDRXNV-CYBMUJFWSA-N 2 0 341.456 -0.342 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161796030 831992232 /nfs/dbraw/zinc/99/22/32/831992232.db2.gz XSAYJVOXTPAVSH-UHFFFAOYSA-N 2 0 346.497 -0.350 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161796048 831992526 /nfs/dbraw/zinc/99/25/26/831992526.db2.gz YHBOUXLFCYZPLR-UHFFFAOYSA-N 2 0 332.470 -0.740 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)c1ccn2c[nH+]cc2c1)C(=O)NC(N)=O ZINC001161872727 831999400 /nfs/dbraw/zinc/99/94/00/831999400.db2.gz KYDJRZNOADRDRC-SNVBAGLBSA-N 2 0 332.364 -0.373 20 0 EBADRP CCNC(=O)C[NH+]1CCC(CNC(=O)CC[NH+](C)C)(COC)CC1 ZINC001162457954 832047618 /nfs/dbraw/zinc/04/76/18/832047618.db2.gz COFJJGSVTLWGSJ-UHFFFAOYSA-N 2 0 342.484 -0.081 20 0 EBADRP Cn1cnnc1C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872141 832068245 /nfs/dbraw/zinc/06/82/45/832068245.db2.gz HXVJHRLSGDAFBT-MFOWVQHXSA-N 2 0 334.424 -0.726 20 0 EBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cccc3nc([C@H]4C[NH2+]CCO4)cn32)N1 ZINC001163252791 832094548 /nfs/dbraw/zinc/09/45/48/832094548.db2.gz IRLAFEIWPZNGSI-IIYDPXPESA-N 2 0 342.403 -0.015 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)CC1([NH+](C)C)CCCC1)C(=O)NC(N)=O ZINC001163290899 832098391 /nfs/dbraw/zinc/09/83/91/832098391.db2.gz TUDIWCVMRQGORS-GFCCVEGCSA-N 2 0 341.456 -0.070 20 0 EBADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC001350058775 832111146 /nfs/dbraw/zinc/11/11/46/832111146.db2.gz SVTHXIJNOLVXDZ-XDQVBPFNSA-N 2 0 326.441 -0.545 20 0 EBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001350063166 832111735 /nfs/dbraw/zinc/11/17/35/832111735.db2.gz QMPCTRCZVOXNNS-HDJSIYSDSA-N 2 0 338.452 -0.447 20 0 EBADRP CCOC(=O)c1cn(-c2ccc(N3CC[NH2+]CC3)nn2)nc1C[NH3+] ZINC001163520392 832118483 /nfs/dbraw/zinc/11/84/83/832118483.db2.gz JOAHUFVMYSWLNW-UHFFFAOYSA-N 2 0 331.380 -0.293 20 0 EBADRP C[C@@H]([NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(=O)NC(N)=O ZINC001163822319 832142385 /nfs/dbraw/zinc/14/23/85/832142385.db2.gz ZAMUZCDTUAHLOC-NEPJUHHUSA-N 2 0 339.440 -0.460 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001163851072 832145333 /nfs/dbraw/zinc/14/53/33/832145333.db2.gz FGRAFKMUSKVJAY-LBPRGKRZSA-N 2 0 341.456 -0.199 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC001350353479 832158642 /nfs/dbraw/zinc/15/86/42/832158642.db2.gz HSPRDTXBNYOSHR-QLFBSQMISA-N 2 0 339.484 -0.805 20 0 EBADRP CC1([NH3+])CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC001350346288 832158821 /nfs/dbraw/zinc/15/88/21/832158821.db2.gz RUZQUMGFJCNXKJ-CQSZACIVSA-N 2 0 338.452 -0.304 20 0 EBADRP CN(c1ccccc1C(=O)NC1CC[NH2+]CC1)S(=O)(=O)CC[NH3+] ZINC001164299970 832182915 /nfs/dbraw/zinc/18/29/15/832182915.db2.gz FEKJQSJIEBSRAK-UHFFFAOYSA-N 2 0 340.449 -0.107 20 0 EBADRP COC(=O)[C@@H](C[NH3+])Cc1ccc(N(C)S(=O)(=O)CC[NH3+])cc1 ZINC001164300552 832182985 /nfs/dbraw/zinc/18/29/85/832182985.db2.gz SHCCEIJCNZGEBA-GFCCVEGCSA-N 2 0 329.422 -0.298 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001164449226 832188645 /nfs/dbraw/zinc/18/86/45/832188645.db2.gz FDOUDJZJVUZOIM-LBPRGKRZSA-N 2 0 327.429 -0.601 20 0 EBADRP CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1=O ZINC001164536197 832195600 /nfs/dbraw/zinc/19/56/00/832195600.db2.gz NVAJWKCCIUVOOT-GJZGRUSLSA-N 2 0 340.468 -0.188 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001164574508 832198792 /nfs/dbraw/zinc/19/87/92/832198792.db2.gz OKLFJTFFRAEPPP-JYJNAYRXSA-N 2 0 345.484 -0.164 20 0 EBADRP C[NH+](C)Cc1ccoc1C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001165245826 832208751 /nfs/dbraw/zinc/20/87/51/832208751.db2.gz IWLKOGWETYRZHY-UHFFFAOYSA-N 2 0 346.453 -0.400 20 0 EBADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]CC(=O)Nc2cnccn2)CC1 ZINC001165254605 832208990 /nfs/dbraw/zinc/20/89/90/832208990.db2.gz RFWKZRHCLJIYAZ-UHFFFAOYSA-N 2 0 334.424 -0.147 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165272705 832209916 /nfs/dbraw/zinc/20/99/16/832209916.db2.gz YHNYMXGIEKSLLG-LLVKDONJSA-N 2 0 327.429 -0.732 20 0 EBADRP c1nc2n(n1)C1(CC[NH2+]CC1)CN(c1ncnc3c1CC[NH2+]C3)C2 ZINC001165311888 832214690 /nfs/dbraw/zinc/21/46/90/832214690.db2.gz IHTCSQMGISPUEL-UHFFFAOYSA-N 2 0 326.408 -0.187 20 0 EBADRP C[NH+](C)CCCC(=O)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001165360465 832217834 /nfs/dbraw/zinc/21/78/34/832217834.db2.gz PQMYTPUYOKSDLN-UHFFFAOYSA-N 2 0 334.486 -0.540 20 0 EBADRP CS(=O)(=O)c1nc2c(c(N3CCC[C@@H]4[NH2+]C[C@@H]43)n1)CC[NH2+]CC2 ZINC001165387666 832218600 /nfs/dbraw/zinc/21/86/00/832218600.db2.gz QOMNCMZKZBLPGE-STQMWFEESA-N 2 0 337.449 -0.491 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)CCC[NH+](C)C)C(=O)NC(=O)NC1CC1 ZINC001165377902 832218697 /nfs/dbraw/zinc/21/86/97/832218697.db2.gz AIIYMAZZFCUHRX-GFCCVEGCSA-N 2 0 341.456 -0.199 20 0 EBADRP COC(=O)[C@H]1C[NH2+]CCN1c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001165438945 832220102 /nfs/dbraw/zinc/22/01/02/832220102.db2.gz MNDMLKXNDOUWBI-CYBMUJFWSA-N 2 0 333.392 -0.922 20 0 EBADRP NC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001166249870 832253725 /nfs/dbraw/zinc/25/37/25/832253725.db2.gz KOSHBPDWETYFGI-UIORMTCPSA-N 2 0 336.436 -0.789 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC001351683727 832269741 /nfs/dbraw/zinc/26/97/41/832269741.db2.gz KDAARZUSFNBGDD-AWEZNQCLSA-N 2 0 339.484 -0.722 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166626092 832274411 /nfs/dbraw/zinc/27/44/11/832274411.db2.gz ALOUWFRXRGNICE-CQSZACIVSA-N 2 0 348.513 -0.104 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001166626936 832275078 /nfs/dbraw/zinc/27/50/78/832275078.db2.gz MPVYWFHGONTPEU-AWEZNQCLSA-N 2 0 348.513 -0.152 20 0 EBADRP COCC[NH2+]Cc1ccn(Cc2cn(C[C@@H]3C[NH2+]CCO3)nn2)n1 ZINC001351755966 832277200 /nfs/dbraw/zinc/27/72/00/832277200.db2.gz LDJLATYVYRJXTJ-HNNXBMFYSA-N 2 0 335.412 -0.753 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001166694059 832280290 /nfs/dbraw/zinc/28/02/90/832280290.db2.gz UUYHJVPFGKFOIB-QWHCGFSZSA-N 2 0 334.486 -0.781 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001166707708 832281477 /nfs/dbraw/zinc/28/14/77/832281477.db2.gz IFCLLLVJXKLYFU-STQMWFEESA-N 2 0 341.456 -0.484 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC(F)(F)F ZINC001166708176 832282409 /nfs/dbraw/zinc/28/24/09/832282409.db2.gz NPYLIIFBSORZKU-GHMZBOCLSA-N 2 0 338.374 -0.042 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)Nc1cnccn1 ZINC001166708613 832282830 /nfs/dbraw/zinc/28/28/30/832282830.db2.gz UUTWQCJZHMWSNU-CHWSQXEVSA-N 2 0 334.424 -0.291 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001166736799 832285624 /nfs/dbraw/zinc/28/56/24/832285624.db2.gz UADXWJCUQRDTSU-LBPRGKRZSA-N 2 0 341.456 -0.342 20 0 EBADRP CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NCCCOC)[NH+](C)C ZINC001166851682 832293891 /nfs/dbraw/zinc/29/38/91/832293891.db2.gz DUKKTKRUWYSCNQ-KBPBESRZSA-N 2 0 330.473 -0.036 20 0 EBADRP C[NH+](C)CCCC(=O)NCCC1(C[NH2+]CCNS(C)(=O)=O)CC1 ZINC001166882690 832295850 /nfs/dbraw/zinc/29/58/50/832295850.db2.gz NSZSXUQDMBQXBB-UHFFFAOYSA-N 2 0 348.513 -0.247 20 0 EBADRP C[C@H](COCC(=O)NCCC[NH2+]Cc1nncn1C)[NH+]1CCCC1 ZINC001166931270 832300388 /nfs/dbraw/zinc/30/03/88/832300388.db2.gz TWKWJMOSZRUEIQ-CQSZACIVSA-N 2 0 338.456 -0.088 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001167480438 832344207 /nfs/dbraw/zinc/34/42/07/832344207.db2.gz FNLMSIFGPRDRMR-UHFFFAOYSA-N 2 0 338.456 -0.174 20 0 EBADRP C[C@H]([NH2+]CC1(CCNC(=O)COC2CC[NH+](C)CC2)CC1)C(N)=O ZINC001167564089 832357925 /nfs/dbraw/zinc/35/79/25/832357925.db2.gz UYEYHJCPZDBGEX-ZDUSSCGKSA-N 2 0 340.468 -0.153 20 0 EBADRP NC(=O)C1CCN(c2cc(NC(=[NH2+])NCCCC[NH3+])ncn2)CC1 ZINC001167877626 832380635 /nfs/dbraw/zinc/38/06/35/832380635.db2.gz HLJCWMMEGYTJHJ-UHFFFAOYSA-N 2 0 334.428 -0.147 20 0 EBADRP C[C@H]([NH3+])CNC(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001353046546 832394812 /nfs/dbraw/zinc/39/48/12/832394812.db2.gz ANIVDHBFJWUANQ-KBXCAEBGSA-N 2 0 348.447 -0.455 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001168136966 832398904 /nfs/dbraw/zinc/39/89/04/832398904.db2.gz JVKWPWQBBXVSCX-LBPRGKRZSA-N 2 0 339.440 -0.730 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC2(C[NH2+]CCNS(C)(=O)=O)CC2)C1 ZINC001168138701 832399530 /nfs/dbraw/zinc/39/95/30/832399530.db2.gz VBQQFFFHOUEHMZ-ZDUSSCGKSA-N 2 0 346.497 -0.637 20 0 EBADRP C[C@@H]([NH2+]CC1(CCNC(=O)C[NH+]2CCCC2)CC1)C(=O)NC(N)=O ZINC001168162181 832400394 /nfs/dbraw/zinc/40/03/94/832400394.db2.gz GDNCMBXPKWHIBD-GFCCVEGCSA-N 2 0 339.440 -0.458 20 0 EBADRP CC[NH+]1CCC(NC(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)CC1 ZINC001353118589 832405264 /nfs/dbraw/zinc/40/52/64/832405264.db2.gz HQHJYRSQPHCSHN-UHFFFAOYSA-N 2 0 326.441 -0.447 20 0 EBADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC001353170296 832412284 /nfs/dbraw/zinc/41/22/84/832412284.db2.gz FTXARUDHTOFNDQ-DZGCQCFKSA-N 2 0 339.484 -0.676 20 0 EBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC001353170298 832412298 /nfs/dbraw/zinc/41/22/98/832412298.db2.gz FTXARUDHTOFNDQ-HIFRSBDPSA-N 2 0 339.484 -0.676 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCCC(C)(C)[NH3+])C1 ZINC001353251597 832418142 /nfs/dbraw/zinc/41/81/42/832418142.db2.gz HBRZNHBOKMQRPB-CYBMUJFWSA-N 2 0 328.457 -0.297 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001353284971 832419847 /nfs/dbraw/zinc/41/98/47/832419847.db2.gz ITJSJGPWVXGFNA-ZFWWWQNUSA-N 2 0 339.484 -0.485 20 0 EBADRP O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)N1CCNCC[NH2+]CC1 ZINC001353467653 832429373 /nfs/dbraw/zinc/42/93/73/832429373.db2.gz PELWFNLJEDHQAU-KBPBESRZSA-N 2 0 327.498 -0.229 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001168763567 832434381 /nfs/dbraw/zinc/43/43/81/832434381.db2.gz POPKIBDLLKXSCG-CVEARBPZSA-N 2 0 345.484 -0.019 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001170232179 832494032 /nfs/dbraw/zinc/49/40/32/832494032.db2.gz GPTQTJKCWOZSJZ-UHFFFAOYSA-N 2 0 339.440 -0.978 20 0 EBADRP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)NC(=O)COCC[NH+](C)C ZINC001354530243 832498286 /nfs/dbraw/zinc/49/82/86/832498286.db2.gz BBRYTVDMIBKHOV-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH+]1CCC(NC(=O)c2ccc(N[C@H]3C[NH2+]C[C@@H]3CO)nn2)CC1 ZINC001170778080 832525131 /nfs/dbraw/zinc/52/51/31/832525131.db2.gz KUXMYSIQEXZKBH-RISCZKNCSA-N 2 0 334.424 -0.707 20 0 EBADRP CC[C@H]([NH2+]C)C(=O)N1CCNCCN(C(=O)[C@H](CC)[NH2+]C)CC1 ZINC001354902353 832532389 /nfs/dbraw/zinc/53/23/89/832532389.db2.gz COFCDCQAJRAVDY-KBPBESRZSA-N 2 0 327.473 -0.757 20 0 EBADRP CN(CC1CC1)C(=O)C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171197556 832549526 /nfs/dbraw/zinc/54/95/26/832549526.db2.gz HTGOWRMTJUROIO-UHFFFAOYSA-N 2 0 328.457 -0.471 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001171160640 832549732 /nfs/dbraw/zinc/54/97/32/832549732.db2.gz HVWGAZCELGYHCU-STQMWFEESA-N 2 0 341.456 -0.342 20 0 EBADRP Cc1noc(CCC[NH2+]CCCNC(=O)COCC[NH+](C)C)n1 ZINC001171205039 832550406 /nfs/dbraw/zinc/55/04/06/832550406.db2.gz KJAZXLNZOWSLDB-UHFFFAOYSA-N 2 0 327.429 -0.015 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171228093 832552193 /nfs/dbraw/zinc/55/21/93/832552193.db2.gz RRXHEMCJFGJHDW-HUUCEWRRSA-N 2 0 342.484 -0.035 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001171226501 832552625 /nfs/dbraw/zinc/55/26/25/832552625.db2.gz HEKKDYJZHRWPLN-KBPBESRZSA-N 2 0 331.482 -0.141 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001171217963 832552701 /nfs/dbraw/zinc/55/27/01/832552701.db2.gz PYQHIOCHOCWXSA-CABCVRRESA-N 2 0 340.468 -0.281 20 0 EBADRP COC[C@@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171294684 832555530 /nfs/dbraw/zinc/55/55/30/832555530.db2.gz VWBJVUCQJRRQGS-CABCVRRESA-N 2 0 343.468 -0.410 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)NC1CCOCC1 ZINC001171756943 832574879 /nfs/dbraw/zinc/57/48/79/832574879.db2.gz CGSKUMYXCVMGGS-UHFFFAOYSA-N 2 0 328.457 -0.281 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001171763301 832575009 /nfs/dbraw/zinc/57/50/09/832575009.db2.gz YIPCENORUBRWDC-UHFFFAOYSA-N 2 0 336.502 -0.294 20 0 EBADRP C[C@H](CCCC[NH2+]CCN1C(=O)CNC1=O)NC(=O)CC[NH+](C)C ZINC001175049071 832613880 /nfs/dbraw/zinc/61/38/80/832613880.db2.gz NTTBIEABAHLFDP-CYBMUJFWSA-N 2 0 341.456 -0.246 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001356367818 832621016 /nfs/dbraw/zinc/62/10/16/832621016.db2.gz AOKORFQQERRJOO-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CCC(CC[NH2+]C)CC1)C[NH+](C)C ZINC001356478280 832632156 /nfs/dbraw/zinc/63/21/56/832632156.db2.gz GODHQPPSRASRIH-HNNXBMFYSA-N 2 0 342.484 -0.083 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001176057168 832654510 /nfs/dbraw/zinc/65/45/10/832654510.db2.gz MSDYRMRZXYDNCG-UONOGXRCSA-N 2 0 331.482 -0.141 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176071812 832655611 /nfs/dbraw/zinc/65/56/11/832655611.db2.gz IIZGCCDCMCLQAO-LBPRGKRZSA-N 2 0 327.429 -0.730 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)C[NH+]1CCCC1)C(=O)Nc1ncccn1 ZINC001176103038 832657191 /nfs/dbraw/zinc/65/71/91/832657191.db2.gz OFYPPDLBFWJLID-ZDUSSCGKSA-N 2 0 334.424 -0.005 20 0 EBADRP Cn1ccc(N2CC[C@H]([NH2+]CCCNC(=O)C[NH+]3CCCC3)C2=O)n1 ZINC001176110267 832658079 /nfs/dbraw/zinc/65/80/79/832658079.db2.gz JDPSEZRWBYTUOF-AWEZNQCLSA-N 2 0 348.451 -0.283 20 0 EBADRP O=C(C[NH+]1CCCC1)NCCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001176119273 832658697 /nfs/dbraw/zinc/65/86/97/832658697.db2.gz YVNCACRBGVOGQK-CVEARBPZSA-N 2 0 343.468 -0.265 20 0 EBADRP C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)COCC[NH+](C)C ZINC001176156376 832660131 /nfs/dbraw/zinc/66/01/31/832660131.db2.gz IQZAHFHJZGIPJL-LBPRGKRZSA-N 2 0 345.444 -0.976 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@@H](C)c1nnnn1C ZINC001176161035 832660318 /nfs/dbraw/zinc/66/03/18/832660318.db2.gz MAXACIURVORTHN-STQMWFEESA-N 2 0 339.444 -0.665 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001176167432 832661077 /nfs/dbraw/zinc/66/10/77/832661077.db2.gz ZKWIAJWJXIEWEK-ZIAGYGMSSA-N 2 0 330.473 -0.036 20 0 EBADRP Cc1nonc1C[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176170379 832661185 /nfs/dbraw/zinc/66/11/85/832661185.db2.gz UUIIPLCYOFZAHM-LBPRGKRZSA-N 2 0 325.413 -0.058 20 0 EBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176169502 832661257 /nfs/dbraw/zinc/66/12/57/832661257.db2.gz LPKVQQMSWRGKJA-AWEZNQCLSA-N 2 0 328.457 -0.471 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@H](C)c1nncn1C ZINC001176162551 832661384 /nfs/dbraw/zinc/66/13/84/832661384.db2.gz XCKVHXONMOSCPH-ZIAGYGMSSA-N 2 0 338.456 -0.060 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CC(=O)NC(N)=O ZINC001176285688 832663579 /nfs/dbraw/zinc/66/35/79/832663579.db2.gz OVHUCWAMMBZFTE-GFCCVEGCSA-N 2 0 329.445 -0.212 20 0 EBADRP O=C(CCC[NH+]1CCCC1)NCCC[NH2+]CCN1CCNC1=O ZINC001176884766 832700558 /nfs/dbraw/zinc/70/05/58/832700558.db2.gz SKVGHZGQSCAVKQ-UHFFFAOYSA-N 2 0 325.457 -0.017 20 0 EBADRP COC[C@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176971708 832722083 /nfs/dbraw/zinc/72/20/83/832722083.db2.gz FXOWFOLTGOMSQX-LSDHHAIUSA-N 2 0 333.473 -0.165 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176975419 832722995 /nfs/dbraw/zinc/72/29/95/832722995.db2.gz QBYIFDZNDWVERP-UHFFFAOYSA-N 2 0 343.472 -0.096 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O ZINC001176986541 832725980 /nfs/dbraw/zinc/72/59/80/832725980.db2.gz QPHVGXPVNQCIRO-AWEZNQCLSA-N 2 0 348.513 -0.152 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001176992766 832727949 /nfs/dbraw/zinc/72/79/49/832727949.db2.gz ZRDOPJLBAUQSKZ-NEPJUHHUSA-N 2 0 327.429 -0.460 20 0 EBADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)[NH+]1CCCC1 ZINC001176998952 832730842 /nfs/dbraw/zinc/73/08/42/832730842.db2.gz NMBLDAZQVIHRKC-AWEZNQCLSA-N 2 0 348.513 -0.248 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001178813802 832915805 /nfs/dbraw/zinc/91/58/05/832915805.db2.gz JTIAQEUCBKXPQD-SRVKXCTJSA-N 2 0 345.419 -0.560 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001179303432 832969004 /nfs/dbraw/zinc/96/90/04/832969004.db2.gz BYICVCUVZANYGE-ZDEQEGDKSA-N 2 0 339.440 -0.496 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001179430847 832976848 /nfs/dbraw/zinc/97/68/48/832976848.db2.gz HTKUHIFCORVREJ-RYUDHWBXSA-N 2 0 339.440 -0.637 20 0 EBADRP Cn1[nH]c(C[NH2+]CCCCCCNC(=O)CC[NH+](C)C)nc1=O ZINC001179461561 832981446 /nfs/dbraw/zinc/98/14/46/832981446.db2.gz PZPJDPHSCDDDAA-UHFFFAOYSA-N 2 0 326.445 -0.174 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001179476323 832982525 /nfs/dbraw/zinc/98/25/25/832982525.db2.gz QRWAEFUFMSYOAN-AAEUAGOBSA-N 2 0 339.440 -0.637 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)CCN1C(=O)CC[NH+](C)C ZINC001179486031 832982552 /nfs/dbraw/zinc/98/25/52/832982552.db2.gz FKCKANNYUBUURW-KKUMJFAQSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)CC[NH+](C)C ZINC001179472809 832982593 /nfs/dbraw/zinc/98/25/93/832982593.db2.gz ZEPLLWMILPILOP-KBPBESRZSA-N 2 0 326.441 -0.624 20 0 EBADRP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212409339 837676433 /nfs/dbraw/zinc/67/64/33/837676433.db2.gz DRWFZJXXDULUIO-RBSFLKMASA-N 2 0 329.441 -0.849 20 0 EBADRP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)nn1 ZINC001187114910 833903125 /nfs/dbraw/zinc/90/31/25/833903125.db2.gz BFSKXIMUKKYPBX-CQSZACIVSA-N 2 0 337.424 -0.246 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001187232537 833911996 /nfs/dbraw/zinc/91/19/96/833911996.db2.gz ZIXXWJPWFGLHPK-VXGBXAGGSA-N 2 0 327.429 -0.508 20 0 EBADRP CN(CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1)S(C)(=O)=O ZINC001187232198 833912033 /nfs/dbraw/zinc/91/20/33/833912033.db2.gz WZRNCPAGSGXAQB-CQSZACIVSA-N 2 0 348.513 -0.200 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001187231387 833912523 /nfs/dbraw/zinc/91/25/23/833912523.db2.gz MAOZYXFOBQSHHU-CQSZACIVSA-N 2 0 325.457 -0.066 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001187851030 833973271 /nfs/dbraw/zinc/97/32/71/833973271.db2.gz MEOHSEJMSGUPRW-UONOGXRCSA-N 2 0 347.481 -0.810 20 0 EBADRP C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)c1 ZINC001188084308 833999652 /nfs/dbraw/zinc/99/96/52/833999652.db2.gz IHSPBFYONTZUCA-CQSZACIVSA-N 2 0 347.419 -0.253 20 0 EBADRP CNS(=O)(=O)c1ccc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])cc1 ZINC001188121750 834009557 /nfs/dbraw/zinc/00/95/57/834009557.db2.gz QLEHIIHWHVOLBG-UHFFFAOYSA-N 2 0 327.410 -0.331 20 0 EBADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001188158194 834016759 /nfs/dbraw/zinc/01/67/59/834016759.db2.gz GPRXPEJNOHOPBS-CABCVRRESA-N 2 0 331.457 -0.459 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@H+](CCN4CCNC4=O)C[C@H]32)CC1 ZINC001188970815 834112069 /nfs/dbraw/zinc/11/20/69/834112069.db2.gz MELSASLAHWZISU-LSDHHAIUSA-N 2 0 349.479 -0.114 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001189026972 834116967 /nfs/dbraw/zinc/11/69/67/834116967.db2.gz YDORPNROYZYXLH-UONOGXRCSA-N 2 0 336.436 -0.380 20 0 EBADRP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342253 837749900 /nfs/dbraw/zinc/74/99/00/837749900.db2.gz NZJLBTQFOUAASQ-ZIAGYGMSSA-N 2 0 329.441 -0.848 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001190363184 834263239 /nfs/dbraw/zinc/26/32/39/834263239.db2.gz DTTFGGCOUMNQNA-MELADBBJSA-N 2 0 336.436 -0.336 20 0 EBADRP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213399778 837765253 /nfs/dbraw/zinc/76/52/53/837765253.db2.gz KIKIAYMBUDAZAC-RBSFLKMASA-N 2 0 331.457 -0.603 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([N@H+](C)[C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001192018435 834592881 /nfs/dbraw/zinc/59/28/81/834592881.db2.gz UNQHEVKVLCLYDO-CHWSQXEVSA-N 2 0 336.436 -0.334 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CC[C@H]([N@H+](C)[C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001192018438 834594186 /nfs/dbraw/zinc/59/41/86/834594186.db2.gz UNQHEVKVLCLYDO-QWHCGFSZSA-N 2 0 336.436 -0.334 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192045665 834598175 /nfs/dbraw/zinc/59/81/75/834598175.db2.gz HZRKNDNQDGGSJB-STQMWFEESA-N 2 0 341.456 -0.295 20 0 EBADRP CC(=O)NCCOCC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169612 834619856 /nfs/dbraw/zinc/61/98/56/834619856.db2.gz BGMBVLHYFMHJBF-OAHLLOKOSA-N 2 0 328.457 -0.377 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@H]([N@H+](C)C[C@@H](O)COCCOC)C1 ZINC001192970866 834773026 /nfs/dbraw/zinc/77/30/26/834773026.db2.gz ZLSPOLRIAFIYIO-JKSUJKDBSA-N 2 0 345.484 -0.115 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@@H](C)C(=O)NC(=O)NC)C1 ZINC001193280722 834827326 /nfs/dbraw/zinc/82/73/26/834827326.db2.gz XKKHLWCVPDYZRI-QWHCGFSZSA-N 2 0 341.456 -0.295 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCCNC2=O)C1 ZINC001193488996 834889207 /nfs/dbraw/zinc/88/92/07/834889207.db2.gz RGBWVAQEEOWBKV-KGLIPLIRSA-N 2 0 326.441 -0.624 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)C[C@H](O)COCCOC)C1 ZINC001193642391 834921011 /nfs/dbraw/zinc/92/10/11/834921011.db2.gz NHTSEVLZPLOFGG-CVEARBPZSA-N 2 0 345.484 -0.115 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)CCN2C(=O)CNC2=O)C1 ZINC001193643600 834921055 /nfs/dbraw/zinc/92/10/55/834921055.db2.gz XNDOBGQVOWCEIG-ZDUSSCGKSA-N 2 0 339.440 -0.587 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1O ZINC001193892420 834962046 /nfs/dbraw/zinc/96/20/46/834962046.db2.gz NALINULVYIMSRC-RRFJBIMHSA-N 2 0 329.441 -0.969 20 0 EBADRP CN(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194289281 835074076 /nfs/dbraw/zinc/07/40/76/835074076.db2.gz HHMIOPCAONPLQI-HUUCEWRRSA-N 2 0 349.435 -0.843 20 0 EBADRP CNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194289784 835074188 /nfs/dbraw/zinc/07/41/88/835074188.db2.gz OTKVABHFUOCNSD-NWANDNLSSA-N 2 0 349.435 -0.796 20 0 EBADRP COCCOC[C@@H](O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001195267242 835207820 /nfs/dbraw/zinc/20/78/20/835207820.db2.gz HASUKTTYKHXECS-HOTGVXAUSA-N 2 0 343.468 -0.361 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCCCn2cncn2)C[C@H]1O ZINC001195869387 835301798 /nfs/dbraw/zinc/30/17/98/835301798.db2.gz CCFRPMDZHQPIDI-HUUCEWRRSA-N 2 0 338.456 -0.439 20 0 EBADRP O=C([C@H]1C[NH+]2CCC[C@H]2CO1)N1CCC[N@@H+](CCOCCO)CC1 ZINC001195908104 835308838 /nfs/dbraw/zinc/30/88/38/835308838.db2.gz UFOKOVDKXZOGDN-JKSUJKDBSA-N 2 0 341.452 -0.607 20 0 EBADRP CC(C)[C@H](C(=O)N[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@H]1O)[NH+](C)C ZINC001195972373 835321110 /nfs/dbraw/zinc/32/11/10/835321110.db2.gz BICOLKRCGPHTDC-UMVBOHGHSA-N 2 0 342.484 -0.351 20 0 EBADRP C[C@@H](COCC(=O)N1CCCN([C@@H](C)C(N)=O)CC1)[NH+]1CCCC1 ZINC001197187336 835519890 /nfs/dbraw/zinc/51/98/90/835519890.db2.gz DYOXGWJSURPHFZ-GJZGRUSLSA-N 2 0 340.468 -0.105 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001197404609 835551799 /nfs/dbraw/zinc/55/17/99/835551799.db2.gz SNWIHRSSVXKDDH-ARFHVFGLSA-N 2 0 343.468 -0.725 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[NH+](C[C@@H](O)COCCOC)CC1 ZINC001197707881 835599221 /nfs/dbraw/zinc/59/92/21/835599221.db2.gz PVTXYCXCWVHGQW-MRXNPFEDSA-N 2 0 345.484 -0.114 20 0 EBADRP CCO[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1)C1CC1 ZINC001197825718 835612886 /nfs/dbraw/zinc/61/28/86/835612886.db2.gz HIQQOUKXXRPJKT-OAGGEKHMSA-N 2 0 343.468 -0.459 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COCC(C)C)C[C@H]1O ZINC001198047448 835635006 /nfs/dbraw/zinc/63/50/06/835635006.db2.gz NFKMGDUTGDXZDF-BZUAXINKSA-N 2 0 345.484 -0.477 20 0 EBADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001199370254 835799636 /nfs/dbraw/zinc/79/96/36/835799636.db2.gz RPWFCVCTTNVIBP-HZPDHXFCSA-N 2 0 343.468 -0.577 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC001199826417 835866632 /nfs/dbraw/zinc/86/66/32/835866632.db2.gz KOMXDRKUDQMBMR-HZPDHXFCSA-N 2 0 335.452 -0.081 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001200114945 835910771 /nfs/dbraw/zinc/91/07/71/835910771.db2.gz HWELGMRGKKPBAL-GJZGRUSLSA-N 2 0 338.452 -0.480 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCCO[C@@H](C[NH2+]CCCO)C1 ZINC001200529369 835980591 /nfs/dbraw/zinc/98/05/91/835980591.db2.gz UIVUVFXPEWVPEK-HOTGVXAUSA-N 2 0 325.453 -0.082 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200537135 835982700 /nfs/dbraw/zinc/98/27/00/835982700.db2.gz LVFLQRJUOCZBJV-HZSPNIEDSA-N 2 0 326.441 -0.720 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001200554988 835985056 /nfs/dbraw/zinc/98/50/56/835985056.db2.gz OEORPMRENWEKEZ-MELADBBJSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1)C(N)=O ZINC001200704835 836018980 /nfs/dbraw/zinc/01/89/80/836018980.db2.gz PYJMPDCCCQTMJF-GXTWGEPZSA-N 2 0 326.441 -0.448 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1 ZINC001200704721 836020000 /nfs/dbraw/zinc/02/00/00/836020000.db2.gz PJNNVPIQDFTJKS-CVEARBPZSA-N 2 0 343.468 -0.315 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCCO1 ZINC001200736955 836027758 /nfs/dbraw/zinc/02/77/58/836027758.db2.gz HUDUTJNEJOYDBE-PMPSAXMXSA-N 2 0 345.484 -0.213 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCCO[C@H](C[NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001200737301 836028502 /nfs/dbraw/zinc/02/85/02/836028502.db2.gz LQGVHUIHDXSQJU-ZBFHGGJFSA-N 2 0 342.484 -0.132 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200807082 836039404 /nfs/dbraw/zinc/03/94/04/836039404.db2.gz UXZAXXUAICAFBN-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CCCO[C@@H](C[NH2+]C[C@H](O)COC)C1 ZINC001200852138 836048877 /nfs/dbraw/zinc/04/88/77/836048877.db2.gz WANGZHYUMFYUKN-GJZGRUSLSA-N 2 0 345.484 -0.069 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001200894430 836063590 /nfs/dbraw/zinc/06/35/90/836063590.db2.gz ROSVWDIVNZIRMV-CYBMUJFWSA-N 2 0 339.440 -0.364 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001201118850 836097201 /nfs/dbraw/zinc/09/72/01/836097201.db2.gz VOEZGFIWLGMOQD-CYBMUJFWSA-N 2 0 339.440 -0.364 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1 ZINC001201260262 836118823 /nfs/dbraw/zinc/11/88/23/836118823.db2.gz HZDXSUMDVJJDTK-CQSZACIVSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCCO[C@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001201277799 836122191 /nfs/dbraw/zinc/12/21/91/836122191.db2.gz XPTPSUIYZUNVDR-CQSZACIVSA-N 2 0 349.497 -0.420 20 0 EBADRP CC[C@H]([NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1)C(N)=O ZINC001201309903 836127082 /nfs/dbraw/zinc/12/70/82/836127082.db2.gz URRQHIGACGQZPW-GJZGRUSLSA-N 2 0 340.468 -0.201 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001201313953 836127293 /nfs/dbraw/zinc/12/72/93/836127293.db2.gz KHJDZYIYYXOOGJ-LLVKDONJSA-N 2 0 341.456 -0.119 20 0 EBADRP C[NH+](C)CCC(=O)N1CCCO[C@@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001201333583 836129442 /nfs/dbraw/zinc/12/94/42/836129442.db2.gz AHCPCVBHVJPBTI-AWEZNQCLSA-N 2 0 341.456 -0.830 20 0 EBADRP C[NH+](C)CCC(=O)N1CCCO[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001201333584 836129828 /nfs/dbraw/zinc/12/98/28/836129828.db2.gz AHCPCVBHVJPBTI-CQSZACIVSA-N 2 0 341.456 -0.830 20 0 EBADRP C[NH+](C)CCC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001201333714 836129920 /nfs/dbraw/zinc/12/99/20/836129920.db2.gz BUEVCCPWSVCCQN-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCCO1 ZINC001201343394 836132186 /nfs/dbraw/zinc/13/21/86/836132186.db2.gz FKNBGODNPWQFJM-GOEBONIOSA-N 2 0 342.484 -0.084 20 0 EBADRP C[C@H](COCC(=O)N1CCCO[C@@H](C[NH2+]CCO)C1)[NH+]1CCCC1 ZINC001201429967 836145349 /nfs/dbraw/zinc/14/53/49/836145349.db2.gz JPTSCKYEFQXEEX-CVEARBPZSA-N 2 0 343.468 -0.313 20 0 EBADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCCO1 ZINC001201429957 836145441 /nfs/dbraw/zinc/14/54/41/836145441.db2.gz JLWZJGIIRMFOLZ-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCCO[C@H](C[NH2+]C[C@H](O)COC)C1 ZINC001201678314 836174679 /nfs/dbraw/zinc/17/46/79/836174679.db2.gz IHDLVGOBIXVJFK-LSDHHAIUSA-N 2 0 331.457 -0.457 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCCO[C@H](C[NH2+]C[C@@H](O)COC)C1 ZINC001201678313 836174697 /nfs/dbraw/zinc/17/46/97/836174697.db2.gz IHDLVGOBIXVJFK-HUUCEWRRSA-N 2 0 331.457 -0.457 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001201677464 836174881 /nfs/dbraw/zinc/17/48/81/836174881.db2.gz CEUWGSRVTOKUQW-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001201808355 836194874 /nfs/dbraw/zinc/19/48/74/836194874.db2.gz CBCCRJYJHUISDS-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001201808969 836196092 /nfs/dbraw/zinc/19/60/92/836196092.db2.gz IUGVAMJHNLSXOJ-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CO[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201862493 836207260 /nfs/dbraw/zinc/20/72/60/836207260.db2.gz CMEOLGHVGXMORQ-HUUCEWRRSA-N 2 0 331.457 -0.193 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCCO[C@@H](C[NH2+]CCOCCO)C2)C1 ZINC001201863986 836207341 /nfs/dbraw/zinc/20/73/41/836207341.db2.gz RIBDXUBJVXSYPM-HOTGVXAUSA-N 2 0 343.468 -0.456 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001201863375 836207778 /nfs/dbraw/zinc/20/77/78/836207778.db2.gz LXANWUGSDHTEDS-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CCCO1)C(N)=O ZINC001201872437 836208714 /nfs/dbraw/zinc/20/87/14/836208714.db2.gz OTUZBSJCFSWSIZ-CHWSQXEVSA-N 2 0 349.435 -0.158 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001201908956 836214040 /nfs/dbraw/zinc/21/40/40/836214040.db2.gz SFNXVZNFDYCGOS-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NCC)C1 ZINC001201932474 836218089 /nfs/dbraw/zinc/21/80/89/836218089.db2.gz ZAIFIUBPWVNJGM-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCCO[C@@H](C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001201932502 836218605 /nfs/dbraw/zinc/21/86/05/836218605.db2.gz ZRUUQDFPGAPZKF-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP COCCOCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202049525 836241988 /nfs/dbraw/zinc/24/19/88/836241988.db2.gz ORGBUUFRASVRHS-MRXNPFEDSA-N 2 0 343.468 -0.048 20 0 EBADRP O=C(C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1)N1CCC1 ZINC001202050745 836242574 /nfs/dbraw/zinc/24/25/74/836242574.db2.gz XDVARAUBYZCLCU-OAHLLOKOSA-N 2 0 338.452 -0.478 20 0 EBADRP COCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CCCO1 ZINC001202069097 836248326 /nfs/dbraw/zinc/24/83/26/836248326.db2.gz LKILKCZQXIOCNJ-JKSUJKDBSA-N 2 0 343.468 -0.192 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC([NH2+]CC(=O)NC[C@H]2CCCO2)CC1 ZINC001202316384 836290676 /nfs/dbraw/zinc/29/06/76/836290676.db2.gz ZMWBAJWOAFEAFS-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001202359239 836294420 /nfs/dbraw/zinc/29/44/20/836294420.db2.gz ORYWVDXRGVYRTI-CQSZACIVSA-N 2 0 341.456 -0.391 20 0 EBADRP C[C@@H]([NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1)C(=O)NC(N)=O ZINC001202504691 836308006 /nfs/dbraw/zinc/30/80/06/836308006.db2.gz VPDIOOBZPQQSBB-NWDGAFQWSA-N 2 0 339.440 -0.508 20 0 EBADRP C[C@H]([NH2+]C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1)C(=O)NC(N)=O ZINC001203337587 836422685 /nfs/dbraw/zinc/42/26/85/836422685.db2.gz MCJBEYQBASNBKK-RYUDHWBXSA-N 2 0 339.440 -0.508 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001203613872 836452940 /nfs/dbraw/zinc/45/29/40/836452940.db2.gz GIHYDBPHKCIZCF-NEPJUHHUSA-N 2 0 349.435 -0.706 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203652204 836458338 /nfs/dbraw/zinc/45/83/38/836458338.db2.gz SGAMXCYQRTVSED-NEPJUHHUSA-N 2 0 339.440 -0.460 20 0 EBADRP CN(CC[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1)S(C)(=O)=O ZINC001203709091 836465425 /nfs/dbraw/zinc/46/54/25/836465425.db2.gz KKFSPZRNKXUMGM-UHFFFAOYSA-N 2 0 346.497 -0.446 20 0 EBADRP CNC(=O)C[NH2+]C1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001203709696 836465632 /nfs/dbraw/zinc/46/56/32/836465632.db2.gz WVFDOOBBZFEBHI-CYBMUJFWSA-N 2 0 326.441 -0.719 20 0 EBADRP COC[C@H](O)C[NH2+]CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001206875157 836688076 /nfs/dbraw/zinc/68/80/76/836688076.db2.gz YCJMCDMSRKANQG-OAHLLOKOSA-N 2 0 325.453 -0.082 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001207687862 836844750 /nfs/dbraw/zinc/84/47/50/836844750.db2.gz JIFPAPLNBPCBNJ-STQMWFEESA-N 2 0 339.440 -0.493 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001207688611 836845310 /nfs/dbraw/zinc/84/53/10/836845310.db2.gz RBEVIBAQHCHJED-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)C1(C(=O)N2CCC[C@H]([NH2+]CCNS(C)(=O)=O)C2)CCC1 ZINC001208330713 836997705 /nfs/dbraw/zinc/99/77/05/836997705.db2.gz CWIRUWOZVOVGSP-ZDUSSCGKSA-N 2 0 346.497 -0.400 20 0 EBADRP C[NH+](C)C1(C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)CCC1 ZINC001208328567 836997756 /nfs/dbraw/zinc/99/77/56/836997756.db2.gz FUGRGGWSRWPLRH-NSHDSACASA-N 2 0 325.413 -0.754 20 0 EBADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1)C(=O)NC(N)=O ZINC001208340761 837000953 /nfs/dbraw/zinc/00/09/53/837000953.db2.gz PEYWEQLBTPQRJF-RYUDHWBXSA-N 2 0 339.440 -0.365 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001208414031 837026080 /nfs/dbraw/zinc/02/60/80/837026080.db2.gz GHTXSCVPHYSETG-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001209314915 837156156 /nfs/dbraw/zinc/15/61/56/837156156.db2.gz MPDFPIMZFNEJEF-NEPJUHHUSA-N 2 0 327.429 -0.508 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CCNS(C)(=O)=O)C2)CC1 ZINC001209408328 837163856 /nfs/dbraw/zinc/16/38/56/837163856.db2.gz LFKBKOUQKMQSQP-AWEZNQCLSA-N 2 0 346.497 -0.542 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209419148 837165642 /nfs/dbraw/zinc/16/56/42/837165642.db2.gz JMBXCGJQWYAPEZ-STQMWFEESA-N 2 0 341.456 -0.247 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC(=O)Nc2cnccn2)C1 ZINC001209444424 837167935 /nfs/dbraw/zinc/16/79/35/837167935.db2.gz GOJGUEUKQRMZFZ-CYBMUJFWSA-N 2 0 334.424 -0.053 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001209640996 837183749 /nfs/dbraw/zinc/18/37/49/837183749.db2.gz GKXOANRMYIELLG-UONOGXRCSA-N 2 0 346.497 -0.542 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+]C[C@H](O)COCCOC)C1 ZINC001210228431 837256504 /nfs/dbraw/zinc/25/65/04/837256504.db2.gz IQEUBPYTIPQSAJ-CVEARBPZSA-N 2 0 345.484 -0.067 20 0 EBADRP CC(C)NC(=O)C[NH2+][C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210678770 837318252 /nfs/dbraw/zinc/31/82/52/837318252.db2.gz WSHLVAGKWNIVNX-AWEZNQCLSA-N 2 0 328.457 -0.330 20 0 EBADRP CN1CCC[C@H]([NH2+][C@H]2CCCN(C(=O)COCC[NH+](C)C)C2)C1=O ZINC001210685303 837320646 /nfs/dbraw/zinc/32/06/46/837320646.db2.gz SFSRDJBIRNEKBN-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP COCCOCC[NH2+][C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210685743 837320782 /nfs/dbraw/zinc/32/07/82/837320782.db2.gz YFQPQODMBYRVIE-OAHLLOKOSA-N 2 0 331.457 -0.192 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001210796763 837333405 /nfs/dbraw/zinc/33/34/05/837333405.db2.gz JOLCKUIQXWXSSB-STQMWFEESA-N 2 0 341.456 -0.118 20 0 EBADRP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001211025248 837370687 /nfs/dbraw/zinc/37/06/87/837370687.db2.gz HCCDPFNUZDLYKU-VNQPRFMTSA-N 2 0 340.468 -0.473 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)Nc3cnccn3)C2)C1 ZINC001211063813 837376028 /nfs/dbraw/zinc/37/60/28/837376028.db2.gz APOCSDJLCZEUPF-KGLIPLIRSA-N 2 0 346.435 -0.053 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211071469 837380005 /nfs/dbraw/zinc/38/00/05/837380005.db2.gz KCBKSZBHNUQLFD-KGLIPLIRSA-N 2 0 346.497 -0.542 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211089858 837384807 /nfs/dbraw/zinc/38/48/07/837384807.db2.gz BBRARURLHPYWRW-STQMWFEESA-N 2 0 339.440 -0.493 20 0 EBADRP CO[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730071 837854211 /nfs/dbraw/zinc/85/42/11/837854211.db2.gz CFONCOXPSLPUNO-BZUAXINKSA-N 2 0 343.468 -0.051 20 0 EBADRP CO[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730726 837854564 /nfs/dbraw/zinc/85/45/64/837854564.db2.gz VZAUBQAKHCNFPG-HZPDHXFCSA-N 2 0 343.468 -0.193 20 0 EBADRP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001213914800 837900510 /nfs/dbraw/zinc/90/05/10/837900510.db2.gz XKFWSIVSRDUTPD-HZPDHXFCSA-N 2 0 343.468 -0.313 20 0 EBADRP CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCNS(C)(=O)=O)CC1)[NH+](C)C ZINC001318979081 838053826 /nfs/dbraw/zinc/05/38/26/838053826.db2.gz MGVIYXHLKBBHDO-IHRRRGAJSA-N 2 0 348.513 -0.107 20 0 EBADRP CC(C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCN1C(=O)CCC1=O ZINC001319934520 838197309 /nfs/dbraw/zinc/19/73/09/838197309.db2.gz CYJGEFGHPORGMO-UONOGXRCSA-N 2 0 338.452 -0.040 20 0 EBADRP C[NH+]1CCC(CC(=O)NC[C@@H](O)C[NH2+]CCN2CCCC2=O)CC1 ZINC001320284402 838742170 /nfs/dbraw/zinc/74/21/70/838742170.db2.gz UEXYCSRPURSYHL-HNNXBMFYSA-N 2 0 340.468 -0.593 20 0 EBADRP Cc1cc(C)n(CC[NH2+]C[C@H](O)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001320294646 838747749 /nfs/dbraw/zinc/74/77/49/838747749.db2.gz DQTDHIDCNFXPAH-HOTGVXAUSA-N 2 0 337.468 -0.092 20 0 EBADRP C[C@H](CC[NH2+]CCN(C)S(C)(=O)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320371926 838761672 /nfs/dbraw/zinc/76/16/72/838761672.db2.gz NECNRJNLKBLSAV-CHWSQXEVSA-N 2 0 334.486 -0.544 20 0 EBADRP C[C@H](CC[NH2+]CCN1C(=O)CNC1=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320374148 838762762 /nfs/dbraw/zinc/76/27/62/838762762.db2.gz ZNZCRDFAFVGXFE-VXGBXAGGSA-N 2 0 325.413 -0.883 20 0 EBADRP CCN(CC[NH2+]CCN1CCNC1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001320891388 838855723 /nfs/dbraw/zinc/85/57/23/838855723.db2.gz HSLAEPIADZSQLW-CQSZACIVSA-N 2 0 325.457 -0.209 20 0 EBADRP CS(=O)(=O)CC[NH2+]C/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001321063911 838894421 /nfs/dbraw/zinc/89/44/21/838894421.db2.gz JLYPXHNCRRTVGU-BAABZTOOSA-N 2 0 329.466 -0.365 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CCSCC1 ZINC001322252671 839163432 /nfs/dbraw/zinc/16/34/32/839163432.db2.gz ZCTSBLCBRJANAN-UHFFFAOYSA-N 2 0 330.498 -0.050 20 0 EBADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC001325422171 839864204 /nfs/dbraw/zinc/86/42/04/839864204.db2.gz GXPDFAUNHONVJP-CABCVRRESA-N 2 0 339.484 -0.613 20 0 EBADRP C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001325455453 839869380 /nfs/dbraw/zinc/86/93/80/839869380.db2.gz LIFDTPFRSZWKOE-OLZOCXBDSA-N 2 0 341.456 -0.260 20 0 EBADRP CN(CC[NH3+])C(=O)C(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001325720890 839919410 /nfs/dbraw/zinc/91/94/10/839919410.db2.gz WNYADDSIDUONHQ-UHFFFAOYSA-N 2 0 347.463 -0.533 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001326025061 840006309 /nfs/dbraw/zinc/00/63/09/840006309.db2.gz ZZTXGAQCKOTNFK-HUUCEWRRSA-N 2 0 342.484 -0.396 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](CC[NH2+]Cc3nnnn3C)C2)CC[N@@H+]1C ZINC001326273613 840077316 /nfs/dbraw/zinc/07/73/16/840077316.db2.gz WGJJBXJXZDBEPG-HZSPNIEDSA-N 2 0 335.456 -0.122 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC001326560237 840135327 /nfs/dbraw/zinc/13/53/27/840135327.db2.gz HITRCIAYHWZSBI-RRFJBIMHSA-N 2 0 340.468 -0.249 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cn1 ZINC001326756341 840193016 /nfs/dbraw/zinc/19/30/16/840193016.db2.gz WEIPYZPOJIHPQS-XBXGTLAGSA-N 2 0 336.440 -0.160 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]CCn2cncn2)C1 ZINC001326990676 840263011 /nfs/dbraw/zinc/26/30/11/840263011.db2.gz NMXUIFZPTQDFIB-HUUCEWRRSA-N 2 0 336.440 -0.421 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCn2cncn2)C1 ZINC001326990670 840263721 /nfs/dbraw/zinc/26/37/21/840263721.db2.gz NMXUIFZPTQDFIB-CABCVRRESA-N 2 0 336.440 -0.421 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(C)CCC[NH+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC001327259126 840344290 /nfs/dbraw/zinc/34/42/90/840344290.db2.gz ZXKKPTYDBDTJPN-KBPBESRZSA-N 2 0 338.452 -0.086 20 0 EBADRP CN(CCC[N@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001327276500 840348696 /nfs/dbraw/zinc/34/86/96/840348696.db2.gz COMIVOHLWDBHLH-ZIAGYGMSSA-N 2 0 338.452 -0.086 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001327470777 840428629 /nfs/dbraw/zinc/42/86/29/840428629.db2.gz FUJKTQLACVBDBL-UHFFFAOYSA-N 2 0 339.484 -0.532 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001327956841 840555728 /nfs/dbraw/zinc/55/57/28/840555728.db2.gz GTPNKUQMTZOCGW-KGLIPLIRSA-N 2 0 348.513 -0.298 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCOC1(C)C ZINC001329198635 840871340 /nfs/dbraw/zinc/87/13/40/840871340.db2.gz DAULYMQVJDBGFN-AWEZNQCLSA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)CCCN1C(=O)CNC1=O ZINC001329399023 840909848 /nfs/dbraw/zinc/90/98/48/840909848.db2.gz VKRJCPUFJFVGPD-OLZOCXBDSA-N 2 0 339.440 -0.541 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001329606882 840963330 /nfs/dbraw/zinc/96/33/30/840963330.db2.gz CYOPEWZDWWBDQH-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC001329611296 840963915 /nfs/dbraw/zinc/96/39/15/840963915.db2.gz ADSAZXITTDSGGP-QLFBSQMISA-N 2 0 339.484 -0.724 20 0 EBADRP [NH3+]CCCNC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001329838672 841037066 /nfs/dbraw/zinc/03/70/66/841037066.db2.gz UUPXFILLEGMKQD-UHFFFAOYSA-N 2 0 326.441 -0.541 20 0 EBADRP CN(C(=O)[C@H](N)CC[NH+](C)C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001329937481 841068079 /nfs/dbraw/zinc/06/80/79/841068079.db2.gz OMGDPLLFCKMRKM-HZPDHXFCSA-N 2 0 325.501 -0.108 20 0 EBADRP C[NH2+]C1CCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC001329943821 841069665 /nfs/dbraw/zinc/06/96/65/841069665.db2.gz FXXZHLMJOHYESF-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001330054122 841103430 /nfs/dbraw/zinc/10/34/30/841103430.db2.gz YTOAKUBOSWUJFS-CHWSQXEVSA-N 2 0 326.441 -0.591 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001330524196 841228266 /nfs/dbraw/zinc/22/82/66/841228266.db2.gz CDGWPZJJWTYBLB-OLZOCXBDSA-N 2 0 326.441 -0.672 20 0 EBADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NC1C[NH2+]C1 ZINC001330849426 841283273 /nfs/dbraw/zinc/28/32/73/841283273.db2.gz KAJXBQJVVOVARF-GOSISDBHSA-N 2 0 346.431 -0.830 20 0 EBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC001331140867 841351512 /nfs/dbraw/zinc/35/15/12/841351512.db2.gz NYFJIOXAZDOWFS-JTQLQIEISA-N 2 0 339.465 -0.057 20 0 EBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001331193665 841367599 /nfs/dbraw/zinc/36/75/99/841367599.db2.gz XHXXHOXTLKAHOF-CQSZACIVSA-N 2 0 339.484 -0.661 20 0 EBADRP CN1CC[NH+](C2CCN(C(=O)NCCN3CC[NH2+]CC3)CC2)CC1 ZINC001331396115 841402374 /nfs/dbraw/zinc/40/23/74/841402374.db2.gz QCIUHNCHQWDDER-UHFFFAOYSA-N 2 0 338.500 -0.687 20 0 EBADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001331550770 841425585 /nfs/dbraw/zinc/42/55/85/841425585.db2.gz JHSCKMGFFPIKLL-XHSDSOJGSA-N 2 0 330.432 -0.152 20 0 EBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001331573178 841429530 /nfs/dbraw/zinc/42/95/30/841429530.db2.gz COQQVCVVXIYICT-RBSFLKMASA-N 2 0 338.452 -0.570 20 0 EBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001331573174 841429546 /nfs/dbraw/zinc/42/95/46/841429546.db2.gz COQQVCVVXIYICT-KFWWJZLASA-N 2 0 338.452 -0.570 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001331588877 841432784 /nfs/dbraw/zinc/43/27/84/841432784.db2.gz LHQYDQMXMWNVCM-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCS(=O)(=O)N(C)C ZINC001331633051 841446107 /nfs/dbraw/zinc/44/61/07/841446107.db2.gz UKDVIYXZQJRDGR-UONOGXRCSA-N 2 0 348.513 -0.344 20 0 EBADRP OCC1(CO)CC[NH+](C/C=C\C[NH+]2CCC(CO)(CO)CC2)CC1 ZINC001331833310 841514498 /nfs/dbraw/zinc/51/44/98/841514498.db2.gz SOHCLDBPIUWMFB-UPHRSURJSA-N 2 0 342.480 -0.324 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CCCN2CCCC2=O)C1 ZINC001331836022 841516014 /nfs/dbraw/zinc/51/60/14/841516014.db2.gz OBUPXKQDMBAWLZ-ZIAGYGMSSA-N 2 0 326.441 -0.983 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)NCC[C@H](C)[NH3+])CC1 ZINC001331947203 841536255 /nfs/dbraw/zinc/53/62/55/841536255.db2.gz FGKVLWIWWMRLES-AWEZNQCLSA-N 2 0 327.473 -0.626 20 0 EBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cn(CCCC[NH3+])nn3)CC2)C1 ZINC001332124540 841579009 /nfs/dbraw/zinc/57/90/09/841579009.db2.gz ILOMPXSAERUBQC-HNNXBMFYSA-N 2 0 349.483 -0.131 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC001332251127 841599325 /nfs/dbraw/zinc/59/93/25/841599325.db2.gz PXBDPFQHQUXCIH-KBPBESRZSA-N 2 0 339.484 -0.757 20 0 EBADRP CO[C@@H](C)CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001332511048 841657231 /nfs/dbraw/zinc/65/72/31/841657231.db2.gz LOEURZJULJCUIC-BFHYXJOUSA-N 2 0 328.457 -0.665 20 0 EBADRP C[NH+]1CCN(Cc2cccc(CNC(=O)CN3CC[NH2+]CC3)c2)CC1 ZINC001332974419 841773303 /nfs/dbraw/zinc/77/33/03/841773303.db2.gz ASDSLIZNYARWAW-UHFFFAOYSA-N 2 0 345.491 -0.045 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CO1 ZINC001333079831 841790856 /nfs/dbraw/zinc/79/08/56/841790856.db2.gz SSRFKWSVFVNEKX-TUVASFSCSA-N 2 0 340.468 -0.522 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@H]2CCN2C)CCCO1 ZINC001334889383 842143950 /nfs/dbraw/zinc/14/39/50/842143950.db2.gz YPHMRBOISZZBFM-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP CCC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001335203523 842224312 /nfs/dbraw/zinc/22/43/12/842224312.db2.gz BZALLAZOBFHRKE-UONOGXRCSA-N 2 0 326.441 -0.840 20 0 EBADRP C[NH+](C)CCOCC(=O)N1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001335291637 842251896 /nfs/dbraw/zinc/25/18/96/842251896.db2.gz QSTUHUDIZTYZCW-AWEZNQCLSA-N 2 0 342.484 -0.131 20 0 EBADRP O=C(NCCCN1CC[NH2+]CC1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001335538387 842300985 /nfs/dbraw/zinc/30/09/85/842300985.db2.gz SVJJRMKNTJOQOK-HOTGVXAUSA-N 2 0 339.484 -0.478 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCCCCCN2CC[NH2+]CC2)CCO1 ZINC001335626826 842319249 /nfs/dbraw/zinc/31/92/49/842319249.db2.gz CCTHAKKNLAFQRO-GJZGRUSLSA-N 2 0 327.473 -0.181 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC12CC[NH+](C)CC2 ZINC001335821729 842359565 /nfs/dbraw/zinc/35/95/65/842359565.db2.gz NTEPUWMXBSALCL-UHFFFAOYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCNC(=O)NC2CCCCC2)CC1 ZINC001336014901 842383512 /nfs/dbraw/zinc/38/35/12/842383512.db2.gz ACZHGINJXRMFOB-MRXNPFEDSA-N 2 0 341.500 -0.184 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001336016811 842383667 /nfs/dbraw/zinc/38/36/67/842383667.db2.gz HLCSBVMPUVGXIP-MRXNPFEDSA-N 2 0 340.516 -0.393 20 0 EBADRP CO[C@H]1CC[C@H]1N(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001336318182 842437405 /nfs/dbraw/zinc/43/74/05/842437405.db2.gz DKWPKAIOTGGLSR-KGLIPLIRSA-N 2 0 328.457 -0.426 20 0 EBADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001336647887 842525626 /nfs/dbraw/zinc/52/56/26/842525626.db2.gz WHRQEGGLFPJVOL-APIJFGDWSA-N 2 0 336.436 -0.635 20 0 EBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3COCC[NH2+]3)C[C@H]2C1 ZINC001336659509 842531140 /nfs/dbraw/zinc/53/11/40/842531140.db2.gz UJTXLVRMCSPURK-APIJFGDWSA-N 2 0 338.452 -0.720 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C)cn1 ZINC001338022688 842735384 /nfs/dbraw/zinc/73/53/84/842735384.db2.gz GADQZUHYRRSHDC-AWEZNQCLSA-N 2 0 336.440 -0.016 20 0 EBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC001340243430 842984608 /nfs/dbraw/zinc/98/46/08/842984608.db2.gz ZUXGIYGKTPFBCB-OAHLLOKOSA-N 2 0 331.420 -0.073 20 0 EBADRP COCC1(CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC[NH2+]CC1 ZINC001340927887 843045466 /nfs/dbraw/zinc/04/54/66/843045466.db2.gz DHBPLDSKOABCQH-CYBMUJFWSA-N 2 0 326.441 -0.684 20 0 EBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001341394566 843085388 /nfs/dbraw/zinc/08/53/88/843085388.db2.gz BYTSXERZIYAZLG-OAHLLOKOSA-N 2 0 327.473 -0.818 20 0 EBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C1CC[NH2+]CC1 ZINC001342535990 843167538 /nfs/dbraw/zinc/16/75/38/843167538.db2.gz OCEOGLSYXOVOEF-OWLYRPNTSA-N 3 0 347.507 -0.198 20 0 EBADRP C[C@H]1COCC[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001342765312 843179574 /nfs/dbraw/zinc/17/95/74/843179574.db2.gz DCRMWHMZOCXKRU-UONOGXRCSA-N 2 0 328.457 -0.521 20 0 EBADRP C[C@H]1C[C@H](NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@@H+]1C ZINC001346156026 843482117 /nfs/dbraw/zinc/48/21/17/843482117.db2.gz LUOYOUJZKMGGRK-QWHCGFSZSA-N 2 0 336.440 -0.018 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC001347363078 843613519 /nfs/dbraw/zinc/61/35/19/843613519.db2.gz ZXSATFDABJYGRM-OAHLLOKOSA-N 2 0 329.489 -0.110 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC001348447875 843698519 /nfs/dbraw/zinc/69/85/19/843698519.db2.gz QSTPDKJRACHUAP-HUUCEWRRSA-N 2 0 339.484 -0.722 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)N[C@H](C)[C@H]1C[NH+](C)CCN1C ZINC001348463236 843700342 /nfs/dbraw/zinc/70/03/42/843700342.db2.gz RKIRJNSLQJHSKZ-HUUCEWRRSA-N 2 0 329.489 -0.112 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)N[C@@H](C)[C@H]1C[NH+](C)CCN1C ZINC001348463237 843700683 /nfs/dbraw/zinc/70/06/83/843700683.db2.gz RKIRJNSLQJHSKZ-LSDHHAIUSA-N 2 0 329.489 -0.112 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)[C@H]1CN(C)CCO1 ZINC001348699454 843733889 /nfs/dbraw/zinc/73/38/89/843733889.db2.gz BZKKDQDMVQVEJR-UONOGXRCSA-N 2 0 326.441 -0.578 20 0 EBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCCNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001348702771 843738423 /nfs/dbraw/zinc/73/84/23/843738423.db2.gz XBRUXFLPNAAOPM-GJZGRUSLSA-N 2 0 340.468 -0.473 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCNS(C)(=O)=O)C1CC1 ZINC001670455134 1125803926 /nfs/dbraw/zinc/80/39/26/1125803926.db2.gz DUEODOFRPWOXSM-STQMWFEESA-N 2 0 332.470 -0.886 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001687261615 1125821803 /nfs/dbraw/zinc/82/18/03/1125821803.db2.gz OXARLKVZBLLQMP-OAHLLOKOSA-N 2 0 340.468 -0.423 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1CCN1C(=O)CNC1=O ZINC001691102382 1125833553 /nfs/dbraw/zinc/83/35/53/1125833553.db2.gz HFJWWRGXMZZEIN-CYBMUJFWSA-N 2 0 339.440 -0.539 20 0 EBADRP C[N@H+](CC(=O)NC[C@@H]1CC[NH+]([C@@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC001691146317 1125837731 /nfs/dbraw/zinc/83/77/31/1125837731.db2.gz SBFOMNBPYPVVFS-GXTWGEPZSA-N 2 0 336.436 -0.286 20 0 EBADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001691165678 1125839958 /nfs/dbraw/zinc/83/99/58/1125839958.db2.gz DBEQKJNIYLXIAB-KGLIPLIRSA-N 2 0 338.452 -0.038 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)[NH+](C)C ZINC001691178151 1125841204 /nfs/dbraw/zinc/84/12/04/1125841204.db2.gz NVEJFKOYWNHUNE-RGCMKSIDSA-N 2 0 338.452 -0.138 20 0 EBADRP CN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)CC(=O)NC[C@H]1CCCO1 ZINC001480935511 1125881943 /nfs/dbraw/zinc/88/19/43/1125881943.db2.gz OKEFFZHWRPKSIR-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@H+](CCCN1C(=O)CNC1=O)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001480936341 1125883947 /nfs/dbraw/zinc/88/39/47/1125883947.db2.gz ZXQZKSRXBRUAOE-ZDUSSCGKSA-N 2 0 339.440 -0.682 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCCN2CCNS(C)(=O)=O)C1 ZINC001481066430 1125916291 /nfs/dbraw/zinc/91/62/91/1125916291.db2.gz UQQICVWXMCWQFF-KBPBESRZSA-N 2 0 346.497 -0.542 20 0 EBADRP C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001496364170 1125961194 /nfs/dbraw/zinc/96/11/94/1125961194.db2.gz RGHQOFKESZDKLW-KBPBESRZSA-N 2 0 348.513 -0.296 20 0 EBADRP CN(CC[NH2+]CC(=O)NCc1cccnc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001481314645 1125970897 /nfs/dbraw/zinc/97/08/97/1125970897.db2.gz JOHJNLZYNJDYIS-HNNXBMFYSA-N 2 0 333.436 -0.303 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CC[NH2+]CCN1CCCC1=O ZINC001481315387 1125971064 /nfs/dbraw/zinc/97/10/64/1125971064.db2.gz YJPVLHYQMVTSTR-OAHLLOKOSA-N 2 0 340.468 -0.375 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[C@H]1CC[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001481458467 1125994021 /nfs/dbraw/zinc/99/40/21/1125994021.db2.gz WDANZEBVVUKRQW-STQMWFEESA-N 2 0 341.456 -0.260 20 0 EBADRP CNC(=O)NC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001481480501 1126000417 /nfs/dbraw/zinc/00/04/17/1126000417.db2.gz AEHLUKCTOVJJGA-STQMWFEESA-N 2 0 339.440 -0.684 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001481497099 1126003647 /nfs/dbraw/zinc/00/36/47/1126003647.db2.gz IDZVMQTZVFXARE-RYUDHWBXSA-N 2 0 327.429 -0.698 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001481506416 1126005105 /nfs/dbraw/zinc/00/51/05/1126005105.db2.gz CRIKVDQJMBNGGM-QWHCGFSZSA-N 2 0 339.440 -0.554 20 0 EBADRP CC[C@H](CNC(=O)[C@H]1CN(CC)CCO1)[NH2+]CC(=O)N(C)CC ZINC001481883926 1126064439 /nfs/dbraw/zinc/06/44/39/1126064439.db2.gz VYBJETXIDQLEMZ-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@H]([NH2+]CC1(NC(=O)COC2CC[NH+](C)CC2)CCCC1)C(N)=O ZINC001481909038 1126066128 /nfs/dbraw/zinc/06/61/28/1126066128.db2.gz QLCSVPKZZSHECG-ZDUSSCGKSA-N 2 0 340.468 -0.010 20 0 EBADRP C[C@H]1CCCC[C@@]1(C[NH2+]CC(=O)NC(N)=O)NC(=O)CC[NH+](C)C ZINC001481962346 1126069342 /nfs/dbraw/zinc/06/93/42/1126069342.db2.gz QTZJPBGYTNMTRA-LRDDRELGSA-N 2 0 341.456 -0.212 20 0 EBADRP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001482111075 1126079461 /nfs/dbraw/zinc/07/94/61/1126079461.db2.gz ZTKYGQDYQAPQHF-CHWSQXEVSA-N 2 0 338.456 -0.175 20 0 EBADRP C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)C[NH2+]CC(=O)N1CCC1 ZINC001482156067 1126088331 /nfs/dbraw/zinc/08/83/31/1126088331.db2.gz LMRUFIMEKYTIKO-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1([NH2+][C@@H](C)C(N)=O)CCCC1 ZINC001482237043 1126109902 /nfs/dbraw/zinc/10/99/02/1126109902.db2.gz RSBINSVGTWWKTC-KBPBESRZSA-N 2 0 340.468 -0.153 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482365575 1126139384 /nfs/dbraw/zinc/13/93/84/1126139384.db2.gz WSYPMJAVAYIKBK-CHWSQXEVSA-N 2 0 334.486 -0.686 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001482427595 1126148306 /nfs/dbraw/zinc/14/83/06/1126148306.db2.gz BZOZJPHOTJFRMS-QWHCGFSZSA-N 2 0 341.456 -0.390 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)CC(=O)NC(N)=O ZINC001482596514 1126224119 /nfs/dbraw/zinc/22/41/19/1126224119.db2.gz SSMRTRNDJMIONB-LBPRGKRZSA-N 2 0 327.429 -0.556 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCN1CCNC1=O ZINC001482686060 1126252426 /nfs/dbraw/zinc/25/24/26/1126252426.db2.gz IIYQSLNLBBCVQX-KGLIPLIRSA-N 2 0 325.457 -0.162 20 0 EBADRP Cc1ncc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[NH+]3CCC2CC3)cn1 ZINC001482730081 1126269118 /nfs/dbraw/zinc/26/91/18/1126269118.db2.gz SLFQFGKZFBFZKJ-HOTGVXAUSA-N 2 0 333.436 -0.306 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCCCC2)CCC1 ZINC001482737801 1126272034 /nfs/dbraw/zinc/27/20/34/1126272034.db2.gz UHSUPFONPJQEMV-CQSZACIVSA-N 2 0 340.468 -0.450 20 0 EBADRP CC(C)N(C)C(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001482764961 1126281519 /nfs/dbraw/zinc/28/15/19/1126281519.db2.gz ZSOLYFZEOHCKDK-ZFWWWQNUSA-N 2 0 342.484 -0.350 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001482785421 1126290372 /nfs/dbraw/zinc/29/03/72/1126290372.db2.gz IYCLMIXBUNOCSI-CHWSQXEVSA-N 2 0 328.457 -0.690 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCCCCC2)C1 ZINC001482790373 1126292040 /nfs/dbraw/zinc/29/20/40/1126292040.db2.gz AXRRINAQNZNIQV-GJZGRUSLSA-N 2 0 340.468 -0.593 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001482889150 1126300694 /nfs/dbraw/zinc/30/06/94/1126300694.db2.gz BMRAOZCWAVJFJT-NWDGAFQWSA-N 2 0 339.440 -0.589 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482966727 1126307275 /nfs/dbraw/zinc/30/72/75/1126307275.db2.gz HQILXGCGOGHDRV-CYBMUJFWSA-N 2 0 341.456 -0.388 20 0 EBADRP CCN(CC[NH2+]CC(=O)NC(N)=O)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001482969394 1126307733 /nfs/dbraw/zinc/30/77/33/1126307733.db2.gz FYEIFJWDBYXHCG-VXGBXAGGSA-N 2 0 327.429 -0.508 20 0 EBADRP CN(CC[NH2+]CC(=O)NC[C@H]1CCOC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001691556863 1126321602 /nfs/dbraw/zinc/32/16/02/1126321602.db2.gz ZLPXCRFLRIJRHZ-LSDHHAIUSA-N 2 0 340.468 -0.471 20 0 EBADRP Cc1c(C(=O)N[C@H](C)C[NH2+]CC(=O)NC(N)=O)ccc2c[nH+]cn21 ZINC001483143941 1126346192 /nfs/dbraw/zinc/34/61/92/1126346192.db2.gz ZJJJBPIQPXLWEE-SECBINFHSA-N 2 0 332.364 -0.454 20 0 EBADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N1CCO[C@H](C)C1)[NH+](C)C ZINC001483167249 1126349475 /nfs/dbraw/zinc/34/94/75/1126349475.db2.gz GKIRGWMBWXGSFW-MCIONIFRSA-N 2 0 328.457 -0.332 20 0 EBADRP C[C@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001483184820 1126351059 /nfs/dbraw/zinc/35/10/59/1126351059.db2.gz WREQRFUMADFNOT-KGLIPLIRSA-N 2 0 338.452 -0.840 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)N1CCOCC1 ZINC001483198011 1126352709 /nfs/dbraw/zinc/35/27/09/1126352709.db2.gz UKWGCQYVNUIHKY-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001409359574 1126358516 /nfs/dbraw/zinc/35/85/16/1126358516.db2.gz KGBLOBPBWLWWPW-QWRGUYRKSA-N 2 0 329.445 -0.358 20 0 EBADRP C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001409359551 1126358527 /nfs/dbraw/zinc/35/85/27/1126358527.db2.gz KGBLOBPBWLWWPW-MNOVXSKESA-N 2 0 329.445 -0.358 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001409369232 1126359418 /nfs/dbraw/zinc/35/94/18/1126359418.db2.gz BVRAOWAXWZSRLA-GHMZBOCLSA-N 2 0 327.429 -0.733 20 0 EBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001409630462 1126386085 /nfs/dbraw/zinc/38/60/85/1126386085.db2.gz QNIYXJZJMBWUCF-UONOGXRCSA-N 2 0 348.513 -0.344 20 0 EBADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)C(=O)NC(N)=O ZINC001483254892 1126411198 /nfs/dbraw/zinc/41/11/98/1126411198.db2.gz KGZIRYVDNKQJHT-WDEREUQCSA-N 2 0 327.429 -0.462 20 0 EBADRP CCCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001483458199 1126428837 /nfs/dbraw/zinc/42/88/37/1126428837.db2.gz YUDBLWGQDDOIQM-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP CN(CCC[NH2+]CCN1CCNC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001483489984 1126430840 /nfs/dbraw/zinc/43/08/40/1126430840.db2.gz URHSIEOKBZPTQS-UHFFFAOYSA-N 2 0 325.457 -0.209 20 0 EBADRP C[C@H]([NH2+]CCCN(C)C(=O)C[NH+]1CCC(C)CC1)C(=O)NC(N)=O ZINC001483498972 1126431186 /nfs/dbraw/zinc/43/11/86/1126431186.db2.gz BIFPHCZVWONKNW-ZDUSSCGKSA-N 2 0 341.456 -0.260 20 0 EBADRP CC(C)NC(=O)NCCN1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001483703703 1126461548 /nfs/dbraw/zinc/46/15/48/1126461548.db2.gz YXJNNEBUEZOZST-AWEZNQCLSA-N 2 0 325.457 -0.020 20 0 EBADRP O=C(C[NH2+]C1(CNC(=O)[C@@H]2CCn3cncc3C2)CC1)NC1CC1 ZINC001483748326 1126468718 /nfs/dbraw/zinc/46/87/18/1126468718.db2.gz PBMLFYGLNSWJFK-GFCCVEGCSA-N 2 0 331.420 -0.038 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]CC(=O)N2CCO[C@@H](C)C2)CC1 ZINC001483787011 1126477081 /nfs/dbraw/zinc/47/70/81/1126477081.db2.gz LGKPTZLGVFKOOW-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@]3(CC[NH+](CC(=O)NC(N)=O)C3)C2)C1 ZINC001483846554 1126481708 /nfs/dbraw/zinc/48/17/08/1126481708.db2.gz FQKDWKZQTNMPMX-WBMJQRKESA-N 2 0 337.424 -0.943 20 0 EBADRP C[N@H+](CC(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC(N)=O)CC(C)(C)C ZINC001483945350 1126491788 /nfs/dbraw/zinc/49/17/88/1126491788.db2.gz VERJULLOLZBBSF-LBPRGKRZSA-N 2 0 341.456 -0.260 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001483950733 1126492836 /nfs/dbraw/zinc/49/28/36/1126492836.db2.gz UERLYJHIECVXKQ-CYBMUJFWSA-N 2 0 326.441 -0.576 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)C[C@H]1C ZINC001483915548 1126489113 /nfs/dbraw/zinc/48/91/13/1126489113.db2.gz HHNNUXMRPKZZHO-KGLIPLIRSA-N 2 0 348.513 -0.154 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(C)(NC(=O)CCC[NH+](C)C)CC1 ZINC001483973160 1126494187 /nfs/dbraw/zinc/49/41/87/1126494187.db2.gz TWHXAGUXDAUDLU-GFCCVEGCSA-N 2 0 341.456 -0.118 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@]2(C)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nc1=O ZINC001484084435 1126505637 /nfs/dbraw/zinc/50/56/37/1126505637.db2.gz WOZFHOAEYOOMIT-BLLLJJGKSA-N 2 0 336.440 -0.469 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001484086096 1126505839 /nfs/dbraw/zinc/50/58/39/1126505839.db2.gz DSLZOFREPYENBA-RHSMWYFYSA-N 2 0 340.468 -0.330 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCOCCO)CCOCC1 ZINC001484178299 1126512983 /nfs/dbraw/zinc/51/29/83/1126512983.db2.gz GOXFXWYDFMWJKW-AWEZNQCLSA-N 2 0 329.441 -0.656 20 0 EBADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001484228151 1126531181 /nfs/dbraw/zinc/53/11/81/1126531181.db2.gz CKBGABXTWUNMHS-DYVFJYSZSA-N 2 0 340.468 -0.322 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CC(=O)NC(N)=O)C2 ZINC001484321572 1126563288 /nfs/dbraw/zinc/56/32/88/1126563288.db2.gz NPENFULQQZZHEN-AVGNSLFASA-N 2 0 339.440 -0.508 20 0 EBADRP C[C@H]([NH2+]CCOCCO)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001484352814 1126564857 /nfs/dbraw/zinc/56/48/57/1126564857.db2.gz MUJQHUMDMFYPFD-GJZGRUSLSA-N 2 0 325.453 -0.082 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]CC(=O)Nc1ccon1 ZINC001484478375 1126590770 /nfs/dbraw/zinc/59/07/70/1126590770.db2.gz OGUJLHYAWVLCLN-GFCCVEGCSA-N 2 0 339.396 -0.882 20 0 EBADRP CN1CC[C@@H]([NH2+]CCN(CCO)C(=O)[C@H]2CCCC[N@@H+]2C)C1=O ZINC001484487867 1126592554 /nfs/dbraw/zinc/59/25/54/1126592554.db2.gz RMXXUIREYVHACT-ZIAGYGMSSA-N 2 0 326.441 -0.888 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N(CCO)CC[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001484499612 1126598663 /nfs/dbraw/zinc/59/86/63/1126598663.db2.gz AZRBRJBYXINOPX-KBPBESRZSA-N 2 0 336.440 -0.872 20 0 EBADRP O=C(C[NH+]1CCCC1)N(CCO)CC[NH2+]C[C@H]1C[C@@]12CCOC2 ZINC001484501400 1126599691 /nfs/dbraw/zinc/59/96/91/1126599691.db2.gz UUDSWAJPLYWKHP-NVXWUHKLSA-N 2 0 325.453 -0.081 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001484692165 1126619843 /nfs/dbraw/zinc/61/98/43/1126619843.db2.gz ZLUSNIBPOCEVTM-OAHLLOKOSA-N 2 0 340.468 -0.377 20 0 EBADRP CN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CCCC[NH+](C)C)CCO2)C1=O ZINC001484695206 1126624370 /nfs/dbraw/zinc/62/43/70/1126624370.db2.gz ABZBOQKNSZGRDN-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@H](C[NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001484697861 1126624992 /nfs/dbraw/zinc/62/49/92/1126624992.db2.gz YJSLSBMZHJMQOY-ZIAGYGMSSA-N 2 0 328.457 -0.378 20 0 EBADRP NC(=O)NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001484727666 1126626990 /nfs/dbraw/zinc/62/69/90/1126626990.db2.gz FOWUIOOJXUHHHZ-LBPRGKRZSA-N 2 0 325.413 -0.752 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC(=O)NC(N)=O)CC1 ZINC001484727829 1126627293 /nfs/dbraw/zinc/62/72/93/1126627293.db2.gz GULLMFAGLLYYTP-GFCCVEGCSA-N 2 0 327.429 -0.508 20 0 EBADRP CN(CCC[N@H+](C)CC(=O)NC(N)=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001484753658 1126630019 /nfs/dbraw/zinc/63/00/19/1126630019.db2.gz ZWSQOEKXMWZOFZ-UHFFFAOYSA-N 2 0 341.456 -0.164 20 0 EBADRP CCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001484837677 1126641502 /nfs/dbraw/zinc/64/15/02/1126641502.db2.gz UMQBFNIXQPHMMP-XJKSGUPXSA-N 2 0 326.441 -0.840 20 0 EBADRP COCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001484854280 1126645015 /nfs/dbraw/zinc/64/50/15/1126645015.db2.gz UFMVJVMMUSZGDN-RDJZCZTQSA-N 2 0 343.468 -0.456 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]Cc2cnnn2C)CCOCC1 ZINC001484872475 1126647861 /nfs/dbraw/zinc/64/78/61/1126647861.db2.gz GKAOIATYOKLQGK-UHFFFAOYSA-N 2 0 338.456 -0.090 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCN2CCOCC2)C[C@@H]1C ZINC001484982110 1126660636 /nfs/dbraw/zinc/66/06/36/1126660636.db2.gz QHEALENZIRKEHH-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP CN(C)C(=O)CN1CCC(CO)(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001485019886 1126666171 /nfs/dbraw/zinc/66/61/71/1126666171.db2.gz OJZGZIRNDKOMFZ-UHFFFAOYSA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001485227097 1126682293 /nfs/dbraw/zinc/68/22/93/1126682293.db2.gz UUOUNHINYRUVKE-STQMWFEESA-N 2 0 341.456 -0.070 20 0 EBADRP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CCCN1C(=O)CNC1=O ZINC001485229654 1126682810 /nfs/dbraw/zinc/68/28/10/1126682810.db2.gz ZSVBGXLTCHOOTC-QWHCGFSZSA-N 2 0 339.440 -0.493 20 0 EBADRP CC(=O)NCCOCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001485536700 1126747855 /nfs/dbraw/zinc/74/78/55/1126747855.db2.gz WINPVTVBSWXAAN-DZGCQCFKSA-N 2 0 340.468 -0.473 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](C[NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001485702664 1126811340 /nfs/dbraw/zinc/81/13/40/1126811340.db2.gz XNRYFBMSMBYZSH-MGPQQGTHSA-N 2 0 346.497 -0.638 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001485732458 1126817481 /nfs/dbraw/zinc/81/74/81/1126817481.db2.gz IDYDPNZAGRYZKT-CHWSQXEVSA-N 2 0 341.456 -0.199 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCOCC[NH+](C)[C@H]1CCNC1=O ZINC001485775401 1126834753 /nfs/dbraw/zinc/83/47/53/1126834753.db2.gz FHZYIZMBFZMRAF-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCOCCC[NH2+][C@H]2CCNC2=O)CC[N@@H+]1C ZINC001485794525 1126838885 /nfs/dbraw/zinc/83/88/85/1126838885.db2.gz PPFXZGGCIQZRKD-MCIONIFRSA-N 2 0 326.441 -0.672 20 0 EBADRP CSCC[C@H]([NH3+])CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001649048009 1126864625 /nfs/dbraw/zinc/86/46/25/1126864625.db2.gz KQALURXPHPYQCN-RVMXOQNASA-N 2 0 342.465 -0.150 20 0 EBADRP C[C@@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+]CC(=O)N1CCOCC1 ZINC001485881249 1126905137 /nfs/dbraw/zinc/90/51/37/1126905137.db2.gz DORKIOVXSPOYRR-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP Cc1noc(CCC[NH2+][C@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001485982696 1126948323 /nfs/dbraw/zinc/94/83/23/1126948323.db2.gz NMPFBWSQTQPFRQ-STQMWFEESA-N 2 0 325.413 -0.528 20 0 EBADRP CC[C@H]([NH2+][C@@H](CO)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C(N)=O ZINC001486014988 1126966177 /nfs/dbraw/zinc/96/61/77/1126966177.db2.gz QBUIHUZUHJBZBV-YPMHNXCESA-N 2 0 346.391 -0.789 20 0 EBADRP C[NH+]1CCC(OCC(=O)NC[C@@H](CO)[NH2+]C[C@H]2CCOC2)CC1 ZINC001486047286 1126995039 /nfs/dbraw/zinc/99/50/39/1126995039.db2.gz HNCNIRDZKFVQHW-KGLIPLIRSA-N 2 0 329.441 -0.800 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCC2)CC[N@@H+]1C ZINC001486028263 1126998835 /nfs/dbraw/zinc/99/88/35/1126998835.db2.gz UQLBQJBHNDQBSN-IHRRRGAJSA-N 2 0 326.441 -0.984 20 0 EBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001486131085 1127043617 /nfs/dbraw/zinc/04/36/17/1127043617.db2.gz POXNNUJEYNXQKC-OLZOCXBDSA-N 2 0 326.441 -0.578 20 0 EBADRP CN(C[C@@H](O)C[NH2+]Cc1cncs1)C(=O)[C@H]1CN(C)CCO1 ZINC001486266366 1127089973 /nfs/dbraw/zinc/08/99/73/1127089973.db2.gz FEIMLABRBSTCBL-WCQYABFASA-N 2 0 328.438 -0.617 20 0 EBADRP CN(C[C@@H](O)C[NH2+]Cc1ccsc1)C(=O)[C@H]1CN(C)CCO1 ZINC001486266350 1127090045 /nfs/dbraw/zinc/09/00/45/1127090045.db2.gz DZMYLRKLIRKUIO-UONOGXRCSA-N 2 0 327.450 -0.012 20 0 EBADRP CN(C[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)CC1CC[NH+](C)CC1 ZINC001486302881 1127107184 /nfs/dbraw/zinc/10/71/84/1127107184.db2.gz HDXPAMGCDPFLCJ-GJZGRUSLSA-N 2 0 340.468 -0.642 20 0 EBADRP C[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001486309637 1127114315 /nfs/dbraw/zinc/11/43/15/1127114315.db2.gz KIRALGCCZLSWGG-XJKSGUPXSA-N 2 0 327.469 -0.102 20 0 EBADRP CN(C[C@@H](O)C[NH2+][C@@H]1CCCNC1=O)C(=O)CC[NH+]1CCCCC1 ZINC001486319187 1127120815 /nfs/dbraw/zinc/12/08/15/1127120815.db2.gz XKQLZVCAJYKFLW-LSDHHAIUSA-N 2 0 340.468 -0.450 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC(CCO)(NC(=O)CCn3ccnc3)C2)C1 ZINC001487041703 1127393549 /nfs/dbraw/zinc/39/35/49/1127393549.db2.gz CDPFPBJLRNXOBZ-AWEZNQCLSA-N 2 0 349.435 -0.696 20 0 EBADRP C[N@H+](CC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC(N)=O)C1)C1CCC1 ZINC001410232987 1127652360 /nfs/dbraw/zinc/65/23/60/1127652360.db2.gz FYKXKQKLNUPXOP-XYPYZODXSA-N 2 0 325.413 -0.850 20 0 EBADRP C[N@H+](CC(=O)NC(N)=O)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001410264434 1127662877 /nfs/dbraw/zinc/66/28/77/1127662877.db2.gz XHWSLXVLDOIDBO-NSHDSACASA-N 2 0 325.413 -0.944 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001410392584 1127699686 /nfs/dbraw/zinc/69/96/86/1127699686.db2.gz ZSXCJAFGBRUHPC-QWHCGFSZSA-N 2 0 338.456 -0.371 20 0 EBADRP CNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001410482871 1127726609 /nfs/dbraw/zinc/72/66/09/1127726609.db2.gz RWPCRIHMXGQPBH-STQMWFEESA-N 2 0 328.457 -0.332 20 0 EBADRP C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001410496109 1127729133 /nfs/dbraw/zinc/72/91/33/1127729133.db2.gz CNNLMLLIFRGGRI-CHWSQXEVSA-N 2 0 341.456 -0.118 20 0 EBADRP Cc1cn(C(C)(C)C(=O)NC[C@@H](CO)[NH2+][C@@H]2CCN(C)C2=O)cn1 ZINC001410678813 1127809158 /nfs/dbraw/zinc/80/91/58/1127809158.db2.gz WXEAZWPSPTXLCO-QWHCGFSZSA-N 2 0 337.424 -0.776 20 0 EBADRP CC(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001410761849 1127868128 /nfs/dbraw/zinc/86/81/28/1127868128.db2.gz CABUBFVHZBBYST-OAHLLOKOSA-N 2 0 342.484 -0.302 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](CO)[NH2+]Cc1cccnc1 ZINC001410778301 1127881850 /nfs/dbraw/zinc/88/18/50/1127881850.db2.gz CONICDKFGONEEI-HOCLYGCPSA-N 2 0 336.436 -0.383 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCCCC1)[NH+](C)C ZINC001410797344 1127898986 /nfs/dbraw/zinc/89/89/86/1127898986.db2.gz ODDFCUCREZUOIN-HOCLYGCPSA-N 2 0 342.484 -0.348 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCN(C)S(C)(=O)=O)[C@H]1C ZINC001410870331 1127923432 /nfs/dbraw/zinc/92/34/32/1127923432.db2.gz WLFXNWXEOCRGMI-KGLIPLIRSA-N 2 0 348.513 -0.203 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001410950390 1127950998 /nfs/dbraw/zinc/95/09/98/1127950998.db2.gz YVAFFCAWNUPZCC-VXGBXAGGSA-N 2 0 327.429 -0.602 20 0 EBADRP O=C(NC[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001086262953 1127982772 /nfs/dbraw/zinc/98/27/72/1127982772.db2.gz UFVYMUAHWASSJU-AHXJXLJNSA-N 2 0 348.447 -0.238 20 0 EBADRP Cc1nn(C)cc1C[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001411123826 1128024633 /nfs/dbraw/zinc/02/46/33/1128024633.db2.gz IJZSNRZKNVHSSC-HNNXBMFYSA-N 2 0 325.457 -0.022 20 0 EBADRP CN(C[C@H](O)C[NH2+]Cc1cnns1)C(=O)C12CC[NH+](CC1)C2 ZINC001411135991 1128030816 /nfs/dbraw/zinc/03/08/16/1128030816.db2.gz CCCMUANVEPAZEH-LLVKDONJSA-N 2 0 325.438 -0.457 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CC(=O)NC(N)=O)C(C)(C)C)C1 ZINC001411220109 1128095276 /nfs/dbraw/zinc/09/52/76/1128095276.db2.gz DRMWSXSQAHXQBI-WDEREUQCSA-N 2 0 327.429 -0.747 20 0 EBADRP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001411246172 1128103659 /nfs/dbraw/zinc/10/36/59/1128103659.db2.gz MJPKJRMKKCOFKY-UHFFFAOYSA-N 2 0 339.440 -0.495 20 0 EBADRP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001092275730 1128220454 /nfs/dbraw/zinc/22/04/54/1128220454.db2.gz NANDEQIVNXHFBJ-LBTNJELSSA-N 2 0 348.447 -0.332 20 0 EBADRP O=C(C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)NCc1cccnc1 ZINC001187835213 1128355788 /nfs/dbraw/zinc/35/57/88/1128355788.db2.gz RQPYIMSVFBNSCO-MRXNPFEDSA-N 2 0 345.447 -0.016 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001187842524 1128355858 /nfs/dbraw/zinc/35/58/58/1128355858.db2.gz OMZVFRVBPYDVKA-CABCVRRESA-N 2 0 338.452 -0.744 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@H](CO)NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001488030037 1128571487 /nfs/dbraw/zinc/57/14/87/1128571487.db2.gz OLNPUPKMMWYNLU-OAHLLOKOSA-N 2 0 340.468 -0.737 20 0 EBADRP CC[C@H](C(=O)N(C)C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC001488375451 1128713293 /nfs/dbraw/zinc/71/32/93/1128713293.db2.gz ZCFWNWJBULIMTL-MGPQQGTHSA-N 2 0 328.457 -0.644 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001488535197 1128782624 /nfs/dbraw/zinc/78/26/24/1128782624.db2.gz ZWCFFKLELFBODK-IJLUTSLNSA-N 2 0 327.429 -0.652 20 0 EBADRP CS(=O)(=O)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001488736080 1128833407 /nfs/dbraw/zinc/83/34/07/1128833407.db2.gz MZFYHRHLPFZAHZ-VHDGCEQUSA-N 2 0 343.493 -0.143 20 0 EBADRP C[C@@H]([NH2+][C@@H]1C[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1)C(=O)NC(N)=O ZINC001488774613 1128841435 /nfs/dbraw/zinc/84/14/35/1128841435.db2.gz XAOVLQDTDXECEL-LPWJVIDDSA-N 2 0 339.440 -0.604 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001488851577 1128860025 /nfs/dbraw/zinc/86/00/25/1128860025.db2.gz QJKXMQAHXNTERD-JOCQHMNTSA-N 2 0 336.440 -0.256 20 0 EBADRP CC[C@H](C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O)[NH+](C)C ZINC001489376718 1128969909 /nfs/dbraw/zinc/96/99/09/1128969909.db2.gz BVQOXQLIPMIGGL-MGPQQGTHSA-N 2 0 326.441 -0.890 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2O)CC1 ZINC001489392724 1128975265 /nfs/dbraw/zinc/97/52/65/1128975265.db2.gz WQPZFXKWSLTKIK-HZSPNIEDSA-N 2 0 338.452 -0.890 20 0 EBADRP C[NH+](C)CCCCC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001489607078 1129013063 /nfs/dbraw/zinc/01/30/63/1129013063.db2.gz RGAKJHZLOYCTBF-KGLIPLIRSA-N 2 0 328.457 -0.642 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001490214981 1129127988 /nfs/dbraw/zinc/12/79/88/1129127988.db2.gz GADHTEGPCIWNOA-NEPJUHHUSA-N 2 0 327.429 -0.508 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1O ZINC001414054710 1131362732 /nfs/dbraw/zinc/36/27/32/1131362732.db2.gz PWEMFWJOZGXPJH-KGLIPLIRSA-N 2 0 340.468 -0.500 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001414059719 1131367812 /nfs/dbraw/zinc/36/78/12/1131367812.db2.gz GFEFUHDRQBRYCF-KGLIPLIRSA-N 2 0 328.457 -0.644 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001490829472 1129614519 /nfs/dbraw/zinc/61/45/19/1129614519.db2.gz QSXDWPUBAWTDQX-UONOGXRCSA-N 2 0 346.497 -0.400 20 0 EBADRP Cn1cncc1CCC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001412809703 1129665338 /nfs/dbraw/zinc/66/53/38/1129665338.db2.gz WKXJCEDTLSWXIQ-TZMCWYRMSA-N 2 0 337.424 -0.960 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H](CO)CNC(=O)C[NH+]2CCCC2)C1 ZINC001412851401 1129732636 /nfs/dbraw/zinc/73/26/36/1129732636.db2.gz FIDOAUHAXPIRAR-KGLIPLIRSA-N 2 0 326.441 -0.983 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001412927463 1129790840 /nfs/dbraw/zinc/79/08/40/1129790840.db2.gz VGOUIXNAYJPHOS-KBPBESRZSA-N 2 0 338.452 -0.983 20 0 EBADRP C[N@H+](CC(=O)NC[C@H](CO)NC(=O)[C@@H]1CCC[NH+]1C)CC(C)(C)C ZINC001413011793 1129856456 /nfs/dbraw/zinc/85/64/56/1129856456.db2.gz PDOXFGHJAHGSST-KGLIPLIRSA-N 2 0 342.484 -0.348 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001413286570 1129992512 /nfs/dbraw/zinc/99/25/12/1129992512.db2.gz HDUCPIXIQAAPCE-GJZGRUSLSA-N 2 0 342.484 -0.252 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001490901944 1130232614 /nfs/dbraw/zinc/23/26/14/1130232614.db2.gz HCDVLYMRMKDUKD-YHUYYLMFSA-N 2 0 335.452 -0.035 20 0 EBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001490903948 1130235709 /nfs/dbraw/zinc/23/57/09/1130235709.db2.gz UTJVFTVKFSHNAS-HDJSIYSDSA-N 2 0 340.468 -0.282 20 0 EBADRP CN1C[C@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCC1=O ZINC001413729023 1130244556 /nfs/dbraw/zinc/24/45/56/1130244556.db2.gz ILUWKHUMZJVCCG-RBSFLKMASA-N 2 0 339.484 -0.012 20 0 EBADRP Cn1cnnc1C[NH2+][C@H]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001490942200 1130269709 /nfs/dbraw/zinc/26/97/09/1130269709.db2.gz VPFPTGWFPLAXLR-JOCQHMNTSA-N 2 0 336.440 -0.337 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001491080762 1130315185 /nfs/dbraw/zinc/31/51/85/1130315185.db2.gz UNFVLTQDADFQBP-KKOKHZNYSA-N 2 0 325.413 -0.981 20 0 EBADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001491416142 1130435614 /nfs/dbraw/zinc/43/56/14/1130435614.db2.gz XLQUENGPUHDNNB-JQWIXIFHSA-N 2 0 325.413 -0.837 20 0 EBADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC(=O)NC(N)=O ZINC001491477831 1130462225 /nfs/dbraw/zinc/46/22/25/1130462225.db2.gz MORAGPRRUSCTNK-AAEUAGOBSA-N 2 0 339.440 -0.317 20 0 EBADRP C[C@@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)[NH2+]CC(=O)N(C)C ZINC001491495704 1130469519 /nfs/dbraw/zinc/46/95/19/1130469519.db2.gz PRHZNZVADHBACR-ZDUSSCGKSA-N 2 0 328.457 -0.473 20 0 EBADRP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC(=O)NC(N)=O ZINC001491496469 1130472103 /nfs/dbraw/zinc/47/21/03/1130472103.db2.gz XAFGCTCCXFVDHA-LLVKDONJSA-N 2 0 325.413 -0.848 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NCCN1CCC[N@H+](C)CC1 ZINC001220304343 1130524815 /nfs/dbraw/zinc/52/48/15/1130524815.db2.gz ZEWZBPSJHALBTB-GJZGRUSLSA-N 2 0 341.500 -0.382 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](CC3C(=O)N=CNC3=O)C[C@H]1C2 ZINC001236025389 1130531349 /nfs/dbraw/zinc/53/13/49/1130531349.db2.gz BCHUGDOOJVATCQ-HDINQQKLSA-N 2 0 334.376 -0.282 20 0 EBADRP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCN(C)S(C)(=O)=O ZINC001491992603 1130574311 /nfs/dbraw/zinc/57/43/11/1130574311.db2.gz YVLVEJWMOYMEAJ-CHWSQXEVSA-N 2 0 334.486 -0.544 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1O ZINC001414065769 1130691211 /nfs/dbraw/zinc/69/12/11/1130691211.db2.gz TXWKABPDOURDIJ-KGLIPLIRSA-N 2 0 338.452 -0.888 20 0 EBADRP CNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001479805064 1130737779 /nfs/dbraw/zinc/73/77/79/1130737779.db2.gz UPEIEWGUYFBOPW-CYBMUJFWSA-N 2 0 328.457 -0.330 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001416736326 1130778499 /nfs/dbraw/zinc/77/84/99/1130778499.db2.gz AHVBKRNHDGNEFK-DOMZBBRYSA-N 2 0 349.435 -0.551 20 0 EBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001357897680 1131143713 /nfs/dbraw/zinc/14/37/13/1131143713.db2.gz AASUFYZBYHWKPZ-OAHLLOKOSA-N 2 0 340.468 -0.606 20 0 EBADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCCN1CCC([NH3+])CC1 ZINC001358111146 1131167186 /nfs/dbraw/zinc/16/71/86/1131167186.db2.gz HUKITPJHOVNBQS-QGZVFWFLSA-N 2 0 333.480 -0.015 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2nnc(N)s2)C[C@H]1C[NH+](C)C ZINC001363593843 1132026560 /nfs/dbraw/zinc/02/65/60/1132026560.db2.gz KCQZNKLRFJKLHB-GHMZBOCLSA-N 2 0 326.470 -0.139 20 0 EBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001365556116 1132718594 /nfs/dbraw/zinc/71/85/94/1132718594.db2.gz TUEBBBILBXVIEU-CVEARBPZSA-N 2 0 341.500 -0.232 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1nc(N)n[nH]1 ZINC001365658367 1132749802 /nfs/dbraw/zinc/74/98/02/1132749802.db2.gz MHPNIEZYRABLPU-GFCCVEGCSA-N 2 0 338.460 -0.056 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001365836539 1132825994 /nfs/dbraw/zinc/82/59/94/1132825994.db2.gz ATUFUNLOSDIIML-SHTZXODSSA-N 2 0 340.468 -0.329 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001365845933 1132830308 /nfs/dbraw/zinc/83/03/08/1132830308.db2.gz NQUSTWPQQHAXHD-JHJVBQTASA-N 2 0 341.456 -0.343 20 0 EBADRP CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1)C(N)=O ZINC001365847486 1132831134 /nfs/dbraw/zinc/83/11/34/1132831134.db2.gz HZFJCHLHVWBPKJ-KBUPBQIOSA-N 2 0 340.468 -0.297 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CC[C@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001366097777 1133002988 /nfs/dbraw/zinc/00/29/88/1133002988.db2.gz JBZDLLPESQSBCD-KBPBESRZSA-N 2 0 343.493 -0.047 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001366101796 1133005326 /nfs/dbraw/zinc/00/53/26/1133005326.db2.gz GAXNFCUOECWRDG-STQMWFEESA-N 2 0 339.440 -0.493 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001366133783 1133020947 /nfs/dbraw/zinc/02/09/47/1133020947.db2.gz YTWNCAHHCJCGEH-MGPQQGTHSA-N 2 0 331.482 0.000 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001366141416 1133023942 /nfs/dbraw/zinc/02/39/42/1133023942.db2.gz JUHDSQCNZKISRR-XQQFMLRXSA-N 2 0 337.424 -0.694 20 0 EBADRP CS(=O)(=O)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001366145543 1133025479 /nfs/dbraw/zinc/02/54/79/1133025479.db2.gz IAAHZALZTRBNJU-MJBXVCDLSA-N 2 0 329.466 -0.390 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001366153896 1133029808 /nfs/dbraw/zinc/02/98/08/1133029808.db2.gz GUCMXQAMWRLZEM-UTUOFQBUSA-N 2 0 327.429 -0.591 20 0 EBADRP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(=O)NC)C1)[NH+](CC)CC ZINC001366154481 1133030194 /nfs/dbraw/zinc/03/01/94/1133030194.db2.gz IXBHSZJYRAVGOA-XQQFMLRXSA-N 2 0 341.456 -0.201 20 0 EBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001366355283 1133109303 /nfs/dbraw/zinc/10/93/03/1133109303.db2.gz CCSGWCZYFQXATN-ZIAGYGMSSA-N 2 0 326.441 -0.671 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001366365722 1133114047 /nfs/dbraw/zinc/11/40/47/1133114047.db2.gz KUYLHPUGZWRKCV-KBPBESRZSA-N 2 0 348.513 -0.298 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001366370847 1133115400 /nfs/dbraw/zinc/11/54/00/1133115400.db2.gz YDQWKPQZSAPUKE-GXTWGEPZSA-N 2 0 341.456 -0.343 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1)[NH+](CC)CC ZINC001366403173 1133131846 /nfs/dbraw/zinc/13/18/46/1133131846.db2.gz BTBVAYSWWZSBQH-OLZOCXBDSA-N 2 0 341.456 -0.260 20 0 EBADRP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001366450062 1133147343 /nfs/dbraw/zinc/14/73/43/1133147343.db2.gz JMUMDLBMXQPAJE-WCQYABFASA-N 2 0 339.440 -0.447 20 0 EBADRP C[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]CCN1CCNC1=O ZINC001366468798 1133151230 /nfs/dbraw/zinc/15/12/30/1133151230.db2.gz FHAJUEFRRXTMAJ-ZDUSSCGKSA-N 2 0 325.457 -0.020 20 0 EBADRP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001366688861 1133251313 /nfs/dbraw/zinc/25/13/13/1133251313.db2.gz LGLKAZOGMHLUOV-GFCCVEGCSA-N 2 0 327.429 -0.778 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001366837097 1133311332 /nfs/dbraw/zinc/31/13/32/1133311332.db2.gz GBCDNRQRBRZIPK-STQMWFEESA-N 2 0 339.440 -0.506 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N(C)CCN2CC[NH+](CCO)CC2)CC[N@@H+]1C ZINC001366848219 1133318051 /nfs/dbraw/zinc/31/80/51/1133318051.db2.gz IZWRHZBIVGJZBZ-JKSUJKDBSA-N 2 0 326.485 -0.215 20 0 EBADRP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001366854932 1133322680 /nfs/dbraw/zinc/32/26/80/1133322680.db2.gz ROWMSTLYMIXERT-ZDUSSCGKSA-N 2 0 339.440 -0.634 20 0 EBADRP COC[C@H](O)C[N@H+](C)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001366875482 1133334816 /nfs/dbraw/zinc/33/48/16/1133334816.db2.gz IYLLJDNPDZGMHR-HUUCEWRRSA-N 2 0 325.453 -0.130 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H](C[N@H+](C)CC(N)=O)C2)cn1 ZINC001366878293 1133338382 /nfs/dbraw/zinc/33/83/82/1133338382.db2.gz DMIFDVDUAZGXLD-ZDUSSCGKSA-N 2 0 336.440 -0.676 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001366899170 1133351504 /nfs/dbraw/zinc/35/15/04/1133351504.db2.gz ZSSYWYDEVCTDMV-ARFHVFGLSA-N 2 0 325.453 -0.084 20 0 EBADRP COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001367014861 1133426196 /nfs/dbraw/zinc/42/61/96/1133426196.db2.gz RHVFAKRMSXVOIM-LSDHHAIUSA-N 2 0 339.440 -0.744 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001367158064 1133490011 /nfs/dbraw/zinc/49/00/11/1133490011.db2.gz NEFBENDRPLLETK-GFCCVEGCSA-N 2 0 339.440 -0.445 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC2(C[NH2+]CC(=O)NC(N)=O)CCCC2)C1 ZINC001367161597 1133490758 /nfs/dbraw/zinc/49/07/58/1133490758.db2.gz SBXLETDDZZVGKF-LBPRGKRZSA-N 2 0 339.440 -0.458 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001367222118 1133505768 /nfs/dbraw/zinc/50/57/68/1133505768.db2.gz XEXKUASOOXADBA-LLVKDONJSA-N 2 0 325.413 -0.896 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001367249421 1133514978 /nfs/dbraw/zinc/51/49/78/1133514978.db2.gz RSCYUUYARFNBSH-CHWSQXEVSA-N 2 0 341.456 -0.343 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001367288262 1133526712 /nfs/dbraw/zinc/52/67/12/1133526712.db2.gz KPSYWDUCKSNBPV-NEPJUHHUSA-N 2 0 339.440 -0.732 20 0 EBADRP CC[C@@H](C(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CCCC1)[NH+](C)C ZINC001367324653 1133551073 /nfs/dbraw/zinc/55/10/73/1133551073.db2.gz SDRBIHHLHGUOII-LBPRGKRZSA-N 2 0 338.456 -0.033 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001367358841 1133561591 /nfs/dbraw/zinc/56/15/91/1133561591.db2.gz QBMAWUUPYANXMY-JSGCOSHPSA-N 2 0 343.472 -0.145 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001367392818 1133574894 /nfs/dbraw/zinc/57/48/94/1133574894.db2.gz CTVAGLGVAOITCP-GFCCVEGCSA-N 2 0 327.429 -0.650 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367401886 1133579548 /nfs/dbraw/zinc/57/95/48/1133579548.db2.gz YVKNXYKSIYQXHX-VXGBXAGGSA-N 2 0 327.429 -0.780 20 0 EBADRP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CC[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001367419309 1133584571 /nfs/dbraw/zinc/58/45/71/1133584571.db2.gz ZPHSDXDZNHICEC-QWHCGFSZSA-N 2 0 341.456 -0.118 20 0 EBADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001367443466 1133590647 /nfs/dbraw/zinc/59/06/47/1133590647.db2.gz MBKJSSBAZQRUNN-NWDGAFQWSA-N 2 0 325.413 -0.896 20 0 EBADRP CC(C)[C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CC(=O)N(C)C ZINC001367496221 1133603591 /nfs/dbraw/zinc/60/35/91/1133603591.db2.gz WYNNKXWFUGZYTJ-LSDHHAIUSA-N 2 0 342.484 -0.227 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)Nc1ccccc1 ZINC001367579240 1133646840 /nfs/dbraw/zinc/64/68/40/1133646840.db2.gz KUTLTFICDUAZDG-CABCVRRESA-N 2 0 334.420 -0.214 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cnnn2CC)CC[N@@H+]1C ZINC001367585530 1133654790 /nfs/dbraw/zinc/65/47/90/1133654790.db2.gz GEZGLDHLTIETSG-QLFBSQMISA-N 2 0 338.456 -0.405 20 0 EBADRP Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)C2(C[NH+](C)C)CC2)cc1=O ZINC001367597815 1133672932 /nfs/dbraw/zinc/67/29/32/1133672932.db2.gz CADLLLJEBNEMHG-AWEZNQCLSA-N 2 0 336.436 -0.706 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001367622041 1133707418 /nfs/dbraw/zinc/70/74/18/1133707418.db2.gz QWGNEXBQFFJNLW-HNNXBMFYSA-N 2 0 342.484 -0.348 20 0 EBADRP O=C(NC[C@H](O)C[NH2+]C[C@@H](O)c1ccccc1)C12CC[NH+](CC1)C2 ZINC001367625641 1133713146 /nfs/dbraw/zinc/71/31/46/1133713146.db2.gz REELAJFPTYLKNJ-HZPDHXFCSA-N 2 0 333.432 -0.118 20 0 EBADRP COc1nccc(C[NH2+]C[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001367627314 1133714967 /nfs/dbraw/zinc/71/49/67/1133714967.db2.gz VAHIJZLQTBPONG-ZDUSSCGKSA-N 2 0 335.408 -0.852 20 0 EBADRP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC1CCOCC1)[NH+](C)C ZINC001367694184 1133749816 /nfs/dbraw/zinc/74/98/16/1133749816.db2.gz YZIIODBDZGSMTN-CZUORRHYSA-N 2 0 342.484 -0.038 20 0 EBADRP C[C@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367708613 1133755521 /nfs/dbraw/zinc/75/55/21/1133755521.db2.gz YNENPBBKIYLIKV-ILXRZTDVSA-N 2 0 340.468 -0.594 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001367748764 1133770437 /nfs/dbraw/zinc/77/04/37/1133770437.db2.gz KQKVGYTYXLPPOK-RYUDHWBXSA-N 2 0 341.456 -0.201 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)Nc1cnccn1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001367761277 1133774861 /nfs/dbraw/zinc/77/48/61/1133774861.db2.gz SZZFISLYVATJTM-OLZOCXBDSA-N 2 0 334.424 -0.149 20 0 EBADRP CC[N@H+](C)[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O)c1ccccc1 ZINC001367769238 1133777236 /nfs/dbraw/zinc/77/72/36/1133777236.db2.gz UWBJHPBSWYJKRM-WFASDCNBSA-N 2 0 349.435 -0.031 20 0 EBADRP COCCc1noc(CNC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001367773163 1133779368 /nfs/dbraw/zinc/77/93/68/1133779368.db2.gz WVSNNUYPJRVNKP-RYUDHWBXSA-N 2 0 325.413 -0.196 20 0 EBADRP C[C@@H](C[N@H+](C)CCN1CCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001367832070 1133804201 /nfs/dbraw/zinc/80/42/01/1133804201.db2.gz IPSXLMVNISJFIH-ZDUSSCGKSA-N 2 0 325.457 -0.210 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001367998584 1133887035 /nfs/dbraw/zinc/88/70/35/1133887035.db2.gz UXPSXTKEMIDDLN-VXGBXAGGSA-N 2 0 339.440 -0.319 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001367999489 1133887901 /nfs/dbraw/zinc/88/79/01/1133887901.db2.gz AIXILYRYJHVRTQ-QJPTWQEYSA-N 2 0 339.440 -0.591 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+][C@@H](C)C(=O)NC(N)=O)CC2)CC[N@@H+]1C ZINC001368003083 1133889100 /nfs/dbraw/zinc/88/91/00/1133889100.db2.gz ZJUSEASXPCDEGK-SDDRHHMPSA-N 2 0 339.440 -0.462 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001368036565 1133907294 /nfs/dbraw/zinc/90/72/94/1133907294.db2.gz MLMPBIZVGPAPFU-GFCCVEGCSA-N 2 0 327.429 -0.733 20 0 EBADRP COCC[N@H+](CC(N)=O)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001368051634 1133913285 /nfs/dbraw/zinc/91/32/85/1133913285.db2.gz MMUPJRCEGIUBOR-AWEZNQCLSA-N 2 0 340.468 -0.247 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001368105280 1133940419 /nfs/dbraw/zinc/94/04/19/1133940419.db2.gz UNQKVMUANBHZGE-OLZOCXBDSA-N 2 0 339.440 -0.365 20 0 EBADRP C[C@H]([NH2+]C[C@]1(C)CCN(C(=O)CCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001368201782 1133988493 /nfs/dbraw/zinc/98/84/93/1133988493.db2.gz WPNXYNRHTJINJI-LRDDRELGSA-N 2 0 341.456 -0.260 20 0 EBADRP Cn1nncc1C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001368223087 1133996898 /nfs/dbraw/zinc/99/68/98/1133996898.db2.gz HQDXETDLVVUDEB-CQSZACIVSA-N 2 0 336.440 -0.336 20 0 EBADRP NC(=O)C[NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CCOCC1 ZINC001368238080 1134007469 /nfs/dbraw/zinc/00/74/69/1134007469.db2.gz CLULGVGJJYBMBC-UHFFFAOYSA-N 2 0 326.441 -0.397 20 0 EBADRP Cn1cc(C[N@@H+]2CC[C@](O)(CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001368246956 1134020881 /nfs/dbraw/zinc/02/08/81/1134020881.db2.gz OPTNEVVQSTTZBA-WMZOPIPTSA-N 2 0 347.463 -0.185 20 0 EBADRP CN1CCC[C@H]([N@@H+]2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001368254038 1134036816 /nfs/dbraw/zinc/03/68/16/1134036816.db2.gz AGBDEVZDYMHHNA-XJKSGUPXSA-N 2 0 326.441 -0.888 20 0 EBADRP C[C@H]([NH2+]CC(=O)NC(N)=O)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001368333618 1134153726 /nfs/dbraw/zinc/15/37/26/1134153726.db2.gz JXZJAAYKYGGUAO-RYUDHWBXSA-N 2 0 339.440 -0.650 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+]([C@@H](C)C(=O)NC(N)=O)C[C@@H]2C1 ZINC001368358868 1134163236 /nfs/dbraw/zinc/16/32/36/1134163236.db2.gz MEMYXTMNAYCQMD-RWMBFGLXSA-N 2 0 339.440 -0.700 20 0 EBADRP C[C@H](O)C[NH2+]C1CCN(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001368360974 1134165155 /nfs/dbraw/zinc/16/51/55/1134165155.db2.gz MCQQWVDEZOFIEV-AWEZNQCLSA-N 2 0 326.485 -0.121 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001368363864 1134167750 /nfs/dbraw/zinc/16/77/50/1134167750.db2.gz LEKICIHXCDXLHB-ZIAGYGMSSA-N 2 0 339.484 -0.757 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCC[C@](CO)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001368368596 1134172660 /nfs/dbraw/zinc/17/26/60/1134172660.db2.gz CBRYWIGURYYSPF-YOEHRIQHSA-N 2 0 343.468 -0.721 20 0 EBADRP C[N@H+](CC(=O)N(CCO)CC[NH2+][C@@H]1CCNC1=O)CC(C)(C)C ZINC001368399687 1134204194 /nfs/dbraw/zinc/20/41/94/1134204194.db2.gz TWAOOCBSXXWXJW-CYBMUJFWSA-N 2 0 328.457 -0.737 20 0 EBADRP CN1CCC[C@@H]([NH2+]CCN(CCO)C(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001368413659 1134212763 /nfs/dbraw/zinc/21/27/63/1134212763.db2.gz SBCOFWAWKLKDBN-LSDHHAIUSA-N 2 0 340.468 -0.641 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCCS(C)(=O)=O)C[C@@H]2C1 ZINC001368413622 1134213057 /nfs/dbraw/zinc/21/30/57/1134213057.db2.gz ZGJXDMPHOJNMFW-QLFBSQMISA-N 2 0 343.493 -0.095 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@@H](O)Cn3cccn3)C2)C1 ZINC001368534899 1134280019 /nfs/dbraw/zinc/28/00/19/1134280019.db2.gz FJNXICHBARVJBP-LVQVYYBASA-N 2 0 335.452 -0.320 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCO1 ZINC001368563248 1134291825 /nfs/dbraw/zinc/29/18/25/1134291825.db2.gz AMCIXKJYVMPYEJ-GJZGRUSLSA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)Nc2nncs2)C1 ZINC001368579042 1134301812 /nfs/dbraw/zinc/30/18/12/1134301812.db2.gz IMWIKBTVGBHSPJ-XYPYZODXSA-N 2 0 340.453 -0.087 20 0 EBADRP CN(C(=O)C[NH2+][C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001368617054 1134328296 /nfs/dbraw/zinc/32/82/96/1134328296.db2.gz BETBWGXVOKUTHW-QGZVFWFLSA-N 2 0 340.468 -0.498 20 0 EBADRP CCNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001368618447 1134329359 /nfs/dbraw/zinc/32/93/59/1134329359.db2.gz CPZYVJGQVJRODU-KRWDZBQOSA-N 2 0 340.468 -0.593 20 0 EBADRP CCO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+][C@@H](C)C(=O)N(C)C ZINC001368654283 1134358222 /nfs/dbraw/zinc/35/82/22/1134358222.db2.gz BCBKFGALNYIJDG-RRFJBIMHSA-N 2 0 342.484 -0.132 20 0 EBADRP CNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001368668478 1134366355 /nfs/dbraw/zinc/36/63/55/1134366355.db2.gz DRZJLEQGRYCYJX-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC(O)(C[NH2+][C@H](C)C(=O)NC)CC1 ZINC001368679942 1134377712 /nfs/dbraw/zinc/37/77/12/1134377712.db2.gz AWYFMLJPYYJBGI-CYBMUJFWSA-N 2 0 328.457 -0.594 20 0 EBADRP CCN(C)C(=O)C[NH2+]CC1(O)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001368688628 1134388937 /nfs/dbraw/zinc/38/89/37/1134388937.db2.gz PTMKZFZPKZFEOE-UHFFFAOYSA-N 2 0 340.468 -0.496 20 0 EBADRP CNC(=O)C[NH2+]CC1(O)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001368690093 1134390984 /nfs/dbraw/zinc/39/09/84/1134390984.db2.gz PWENNGZRDGSNPC-UHFFFAOYSA-N 2 0 338.452 -0.696 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001368750074 1134417242 /nfs/dbraw/zinc/41/72/42/1134417242.db2.gz QPMACMCZKBIVMB-ZDUSSCGKSA-N 2 0 341.456 -0.118 20 0 EBADRP CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)NC(N)=O)[NH+]1CCCC1 ZINC001368755845 1134419789 /nfs/dbraw/zinc/41/97/89/1134419789.db2.gz RVBCLWNFYLSVMW-GXTWGEPZSA-N 2 0 341.456 -0.214 20 0 EBADRP CNC(=O)CN1CCC(CO)(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001368768505 1134429621 /nfs/dbraw/zinc/42/96/21/1134429621.db2.gz DMKRCRXFHHHPKV-UHFFFAOYSA-N 2 0 340.468 -0.593 20 0 EBADRP O=C(NC1CC(C[NH2+]C[C@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001368820650 1134454640 /nfs/dbraw/zinc/45/46/40/1134454640.db2.gz BIVKTCQGLDZEIH-GPANFISMSA-N 2 0 347.463 -0.176 20 0 EBADRP C[C@@H]([NH2+]CC(=O)N1CCOCC1)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001368846045 1134463761 /nfs/dbraw/zinc/46/37/61/1134463761.db2.gz SBYWYRRATJAYHR-KGLIPLIRSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001368888486 1134475702 /nfs/dbraw/zinc/47/57/02/1134475702.db2.gz BRMNVUNHAXOKIB-QWHCGFSZSA-N 2 0 338.456 -0.033 20 0 EBADRP C[C@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001368888494 1134476174 /nfs/dbraw/zinc/47/61/74/1134476174.db2.gz BRMNVUNHAXOKIB-STQMWFEESA-N 2 0 338.456 -0.033 20 0 EBADRP C[C@@H]([NH2+]CC(=O)NC1CC1)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001369149423 1134593451 /nfs/dbraw/zinc/59/34/51/1134593451.db2.gz LBTBAKJODSGFFN-TZMCWYRMSA-N 2 0 326.441 -0.578 20 0 EBADRP C[C@H]([NH2+]CCN1CCCC1=O)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001369152582 1134595103 /nfs/dbraw/zinc/59/51/03/1134595103.db2.gz PDTZJOUTMZAGMF-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H]([NH2+]CC(=O)NC1CC1)[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001369160327 1134600411 /nfs/dbraw/zinc/60/04/11/1134600411.db2.gz ZJRTWHLIRLYSDG-ZFWWWQNUSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001369161063 1134601167 /nfs/dbraw/zinc/60/11/67/1134601167.db2.gz VTWWMQZLPFAKRW-FPCVCCKLSA-N 2 0 325.453 -0.369 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001369184446 1134609326 /nfs/dbraw/zinc/60/93/26/1134609326.db2.gz CSAPRSRBHFBMRZ-HAQNSBGRSA-N 2 0 327.429 -0.733 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001369263357 1134634161 /nfs/dbraw/zinc/63/41/61/1134634161.db2.gz FHWCDLYVYUEAQC-STQMWFEESA-N 2 0 341.456 -0.247 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@H](CO)[NH2+]CC(=O)NC2CCCC2)CCC1 ZINC001369322688 1134663667 /nfs/dbraw/zinc/66/36/67/1134663667.db2.gz JAVACMWPTABYCC-CQSZACIVSA-N 2 0 340.468 -0.404 20 0 EBADRP CN1CCC[C@@H]([NH2+][C@H](CO)CNC(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001369354532 1134705774 /nfs/dbraw/zinc/70/57/74/1134705774.db2.gz OLHUJOJJXHTPAI-UONOGXRCSA-N 2 0 340.468 -0.452 20 0 EBADRP CN1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)c2ccc(C[NH+](C)C)cc2)C1=O ZINC001369363493 1134716432 /nfs/dbraw/zinc/71/64/32/1134716432.db2.gz MAFWJJCQYLNHQW-HZPDHXFCSA-N 2 0 348.447 -0.341 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)[NH2+]CCN2CCCC2=O)C1 ZINC001369382343 1134743664 /nfs/dbraw/zinc/74/36/64/1134743664.db2.gz POGMZPCVYDAYLW-UONOGXRCSA-N 2 0 326.441 -0.983 20 0 EBADRP C[N@H+](CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1)C1CCC1 ZINC001369420693 1134772832 /nfs/dbraw/zinc/77/28/32/1134772832.db2.gz LCMWXHUCNPNOPH-NEPJUHHUSA-N 2 0 339.440 -0.460 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001369446402 1134785334 /nfs/dbraw/zinc/78/53/34/1134785334.db2.gz BTHINLPGPSYJMR-KBPBESRZSA-N 2 0 328.457 -0.644 20 0 EBADRP CC(C)[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001369478916 1134842502 /nfs/dbraw/zinc/84/25/02/1134842502.db2.gz FCCHMFXMDUKSLV-ZIAGYGMSSA-N 2 0 326.445 -0.690 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001369480059 1134844819 /nfs/dbraw/zinc/84/48/19/1134844819.db2.gz MTVBEUMQOPRYHJ-JSGCOSHPSA-N 2 0 326.441 -0.984 20 0 EBADRP CC1CC[NH+](CC(=O)N(C)C[C@H](O)C[NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001369482464 1134849889 /nfs/dbraw/zinc/84/98/89/1134849889.db2.gz LJWVVDYQLIFSAS-CABCVRRESA-N 2 0 340.468 -0.642 20 0 EBADRP Cc1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)C23CC[NH+](CC2)C3)nn1C ZINC001369483683 1134852010 /nfs/dbraw/zinc/85/20/10/1134852010.db2.gz MGTVUOZHKGZWMB-OAHLLOKOSA-N 2 0 335.452 -0.267 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC2CC2)C1 ZINC001369484237 1134852823 /nfs/dbraw/zinc/85/28/23/1134852823.db2.gz PTKVKORFRYPFLZ-TZMCWYRMSA-N 2 0 326.441 -0.984 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC(CCO)(NC(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001370006909 1135167986 /nfs/dbraw/zinc/16/79/86/1135167986.db2.gz LLZIFINUFUSTRW-ZIAGYGMSSA-N 2 0 340.468 -0.642 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]([NH2+]CC(=O)NC(N)=O)C2CC2)C1 ZINC001370257304 1135272686 /nfs/dbraw/zinc/27/26/86/1135272686.db2.gz QJNSRPOARDRIKQ-CMPLNLGQSA-N 2 0 325.413 -0.993 20 0 EBADRP CNC(=O)C[NH2+][C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001370275380 1135279139 /nfs/dbraw/zinc/27/91/39/1135279139.db2.gz CBCCYTFLLZELIJ-TZMCWYRMSA-N 2 0 326.441 -0.815 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001370322525 1135303239 /nfs/dbraw/zinc/30/32/39/1135303239.db2.gz NEUIANLYMQJKKW-QWHCGFSZSA-N 2 0 341.456 -0.308 20 0 EBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001370409609 1135339472 /nfs/dbraw/zinc/33/94/72/1135339472.db2.gz VXTALAUMRCFRFK-KKUMJFAQSA-N 2 0 329.441 -0.848 20 0 EBADRP CN(CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)S(C)(=O)=O ZINC001370651475 1135454413 /nfs/dbraw/zinc/45/44/13/1135454413.db2.gz SKYPTWLEHKDVKH-MJBXVCDLSA-N 2 0 346.497 -0.401 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@H](CO)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001370710349 1135531299 /nfs/dbraw/zinc/53/12/99/1135531299.db2.gz WVALWKJPRNOECP-CABCVRRESA-N 2 0 338.452 -0.983 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001370710844 1135532800 /nfs/dbraw/zinc/53/28/00/1135532800.db2.gz ZHXGXRRRHYDERD-LSDHHAIUSA-N 2 0 340.468 -0.593 20 0 EBADRP CC[C@H](C(=O)NC[C@@H](CO)NC(=O)C12CCC[NH+]1CCC2)[NH+](C)C ZINC001370723201 1135548312 /nfs/dbraw/zinc/54/83/12/1135548312.db2.gz DLVRIOYDYNSGRN-UONOGXRCSA-N 2 0 340.468 -0.452 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@H](CO)NC(=O)C2CC[NH+](C)CC2)CCC1 ZINC001370739125 1135573139 /nfs/dbraw/zinc/57/31/39/1135573139.db2.gz ZAZMSZUIMIZMCE-CQSZACIVSA-N 2 0 340.468 -0.594 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N[C@H](CO)CNC(=O)CCC[NH+](C)C)CC[N@@H+]1C ZINC001370783003 1135628205 /nfs/dbraw/zinc/62/82/05/1135628205.db2.gz XYMDERFPXFQORH-KKUMJFAQSA-N 2 0 342.484 -0.348 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001370811872 1135653467 /nfs/dbraw/zinc/65/34/67/1135653467.db2.gz YZIVYZJMZXHBHH-VXGBXAGGSA-N 2 0 325.413 -0.896 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001370838649 1135667138 /nfs/dbraw/zinc/66/71/38/1135667138.db2.gz SVAYYEYEFYCHAN-OLZOCXBDSA-N 2 0 341.456 -0.390 20 0 EBADRP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001370966087 1135715560 /nfs/dbraw/zinc/71/55/60/1135715560.db2.gz DQJGJAMOGNCWKZ-STQMWFEESA-N 2 0 341.456 -0.390 20 0 EBADRP CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001370966084 1135715661 /nfs/dbraw/zinc/71/56/61/1135715661.db2.gz DQJGJAMOGNCWKZ-QWHCGFSZSA-N 2 0 341.456 -0.390 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001370982227 1135732442 /nfs/dbraw/zinc/73/24/42/1135732442.db2.gz KHTYLHGENRKOMV-UONOGXRCSA-N 2 0 342.484 -0.254 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001370985455 1135736253 /nfs/dbraw/zinc/73/62/53/1135736253.db2.gz OJIAHKIFTURKDP-KBPBESRZSA-N 2 0 328.457 -0.642 20 0 EBADRP COCCN(CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)C[NH+]1CCCC1 ZINC001371138387 1135846923 /nfs/dbraw/zinc/84/69/23/1135846923.db2.gz ZDRGRCHGRXJQKO-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP Cc1ncc2n1CC[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NC(N)=O)C2 ZINC001371365730 1135897055 /nfs/dbraw/zinc/89/70/55/1135897055.db2.gz RJCVRCLRIVJYSP-GXSJLCMTSA-N 2 0 336.396 -0.957 20 0 EBADRP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC(=O)N1CCOCC1 ZINC001371366525 1135897386 /nfs/dbraw/zinc/89/73/86/1135897386.db2.gz XBTBLKFUGHMBNR-CQSZACIVSA-N 2 0 342.484 -0.083 20 0 EBADRP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001371419003 1135906746 /nfs/dbraw/zinc/90/67/46/1135906746.db2.gz AAAHISXTEXVPPV-VXGBXAGGSA-N 2 0 339.440 -0.589 20 0 EBADRP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001371418994 1135906886 /nfs/dbraw/zinc/90/68/86/1135906886.db2.gz AAAHISXTEXVPPV-RYUDHWBXSA-N 2 0 339.440 -0.589 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@H]1O ZINC001371461903 1135922401 /nfs/dbraw/zinc/92/24/01/1135922401.db2.gz QPPJVJOPAUGOPT-MGPQQGTHSA-N 2 0 326.441 -0.891 20 0 EBADRP CC[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001371467673 1135926966 /nfs/dbraw/zinc/92/69/66/1135926966.db2.gz FEPSHQAVNUKSEH-ZIAGYGMSSA-N 2 0 328.457 -0.642 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCN(C)S(C)(=O)=O ZINC001371477135 1135932330 /nfs/dbraw/zinc/93/23/30/1135932330.db2.gz WXPDBCRXCKKEKC-ZIAGYGMSSA-N 2 0 348.513 -0.154 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)Nc2nncs2)C1 ZINC001371531236 1135955591 /nfs/dbraw/zinc/95/55/91/1135955591.db2.gz REKVORDZOLLIER-JTQLQIEISA-N 2 0 326.426 -0.381 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001371537756 1135960844 /nfs/dbraw/zinc/96/08/44/1135960844.db2.gz AEXKXKJKVBJVFN-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001371544475 1135965395 /nfs/dbraw/zinc/96/53/95/1135965395.db2.gz QHXDZRXVFKVHIS-KBPBESRZSA-N 2 0 326.441 -0.719 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001371610085 1135983166 /nfs/dbraw/zinc/98/31/66/1135983166.db2.gz DGUOKEPRZLJGLV-LSDHHAIUSA-N 2 0 343.468 -0.457 20 0 EBADRP NC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001371612106 1135983915 /nfs/dbraw/zinc/98/39/15/1135983915.db2.gz FPLLGDYGXBJRIU-CYBMUJFWSA-N 2 0 339.440 -0.505 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001371618719 1135986189 /nfs/dbraw/zinc/98/61/89/1135986189.db2.gz OGSKHEOOJUWREI-VXGBXAGGSA-N 2 0 327.429 -0.650 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)[C@@H](C)C(=O)NC(N)=O)C1 ZINC001371696107 1136004958 /nfs/dbraw/zinc/00/49/58/1136004958.db2.gz ZSOJGAHQJAVZJI-QWHCGFSZSA-N 2 0 341.456 -0.166 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1O ZINC001371844581 1136033670 /nfs/dbraw/zinc/03/36/70/1136033670.db2.gz DQAWGYQBWMEFJA-GJZGRUSLSA-N 2 0 342.484 -0.254 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1O ZINC001371844586 1136033713 /nfs/dbraw/zinc/03/37/13/1136033713.db2.gz DQAWGYQBWMEFJA-LSDHHAIUSA-N 2 0 342.484 -0.254 20 0 EBADRP C[NH+](C)CCC(=O)NCCN1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001372222407 1136144692 /nfs/dbraw/zinc/14/46/92/1136144692.db2.gz VJBRGYKNXUKNBO-OAHLLOKOSA-N 2 0 339.484 -0.850 20 0 EBADRP C[C@H]([NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001372943152 1136333310 /nfs/dbraw/zinc/33/33/10/1136333310.db2.gz RLCYZEPRVBINRX-LBPRGKRZSA-N 2 0 341.456 -0.118 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CC[NH2+][C@@H]1CCCN(C)C1=O ZINC001372989718 1136347664 /nfs/dbraw/zinc/34/76/64/1136347664.db2.gz KPWSJZWBKXXGNY-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CC1)[NH+](C)C ZINC001373921233 1136587214 /nfs/dbraw/zinc/58/72/14/1136587214.db2.gz PZFZHCCTSAOEMU-AVGNSLFASA-N 2 0 338.456 -0.034 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001374250633 1136658043 /nfs/dbraw/zinc/65/80/43/1136658043.db2.gz RFZNYROBLNZQPD-STQMWFEESA-N 2 0 341.456 -0.262 20 0 EBADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001374379000 1136680287 /nfs/dbraw/zinc/68/02/87/1136680287.db2.gz BJLKKYWOQBNCJS-VXGBXAGGSA-N 2 0 339.440 -0.650 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001374379835 1136680370 /nfs/dbraw/zinc/68/03/70/1136680370.db2.gz BJDXXELPVGGICE-VXGBXAGGSA-N 2 0 337.424 -0.896 20 0 EBADRP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001374378993 1136680382 /nfs/dbraw/zinc/68/03/82/1136680382.db2.gz BJLKKYWOQBNCJS-NWDGAFQWSA-N 2 0 339.440 -0.650 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001374446137 1136689457 /nfs/dbraw/zinc/68/94/57/1136689457.db2.gz IQAUKGRTRJPRAR-LBPRGKRZSA-N 2 0 327.429 -0.732 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCN2CCNC2=O)C1 ZINC001374563933 1136720828 /nfs/dbraw/zinc/72/08/28/1136720828.db2.gz XLEMVPFSVUREAN-CABCVRRESA-N 2 0 337.468 -0.114 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NCc1ccccc1 ZINC001374589195 1136731707 /nfs/dbraw/zinc/73/17/07/1136731707.db2.gz HKDILBZYVGKJIH-HZPDHXFCSA-N 2 0 348.447 -0.536 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001374614072 1136747382 /nfs/dbraw/zinc/74/73/82/1136747382.db2.gz GHLXYMHVTOCQQG-CABCVRRESA-N 2 0 340.468 -0.452 20 0 EBADRP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C23CCC[NH+](CCC2)C3)cn1 ZINC001374615057 1136748668 /nfs/dbraw/zinc/74/86/68/1136748668.db2.gz LIIXINZEAAVFGG-HNNXBMFYSA-N 2 0 335.452 -0.137 20 0 EBADRP Cc1nccnc1C[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001374626701 1136758154 /nfs/dbraw/zinc/75/81/54/1136758154.db2.gz UUGJVNOPWGXVGA-CQSZACIVSA-N 2 0 333.436 -0.020 20 0 EBADRP CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001374641321 1136769363 /nfs/dbraw/zinc/76/93/63/1136769363.db2.gz ZUIZEBLAEXWECH-STQMWFEESA-N 2 0 326.441 -0.984 20 0 EBADRP CCn1nnc(C)c1C[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374671948 1136790881 /nfs/dbraw/zinc/79/08/81/1136790881.db2.gz REOYNGHIFPDMRH-UONOGXRCSA-N 2 0 338.456 -0.485 20 0 EBADRP Cc1nnsc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001374677269 1136794775 /nfs/dbraw/zinc/79/47/75/1136794775.db2.gz YOWRYVWMIKMXDQ-DGCLKSJQSA-N 2 0 329.470 -0.001 20 0 EBADRP CN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)CC[NH+]2CCCCC2)C1=O ZINC001374680210 1136797392 /nfs/dbraw/zinc/79/73/92/1136797392.db2.gz BQLYVLBGYXFASC-KGLIPLIRSA-N 2 0 326.441 -0.840 20 0 EBADRP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001374751725 1136822263 /nfs/dbraw/zinc/82/22/63/1136822263.db2.gz LOABENUEHAMJND-AWEZNQCLSA-N 2 0 336.440 -0.615 20 0 EBADRP C[NH+](C)CCC(=O)NC1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001374759886 1136824573 /nfs/dbraw/zinc/82/45/73/1136824573.db2.gz IWELBICRESQEGE-UHFFFAOYSA-N 2 0 336.440 -0.663 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001374828954 1136843781 /nfs/dbraw/zinc/84/37/81/1136843781.db2.gz VFOSAAPYGRZISN-GFCCVEGCSA-N 2 0 338.456 -0.177 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001374961242 1136884566 /nfs/dbraw/zinc/88/45/66/1136884566.db2.gz ZGMLHVWOHFJXGV-NSHDSACASA-N 2 0 339.440 -0.602 20 0 EBADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1)C(=O)NC(=O)NC1CC1 ZINC001374978248 1136887765 /nfs/dbraw/zinc/88/77/65/1136887765.db2.gz WYPRIMOQYUIKBR-NWDGAFQWSA-N 2 0 339.440 -0.447 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)NC(=O)NC(C)(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001374978011 1136888054 /nfs/dbraw/zinc/88/80/54/1136888054.db2.gz UFHFMOLBNXKNSS-RYUDHWBXSA-N 2 0 341.456 -0.343 20 0 EBADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)CC[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001374981673 1136888398 /nfs/dbraw/zinc/88/83/98/1136888398.db2.gz ISYDOEAMCFCFKC-NWDGAFQWSA-N 2 0 327.429 -0.460 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCN1CC[NH+](C)CC1)CC(=O)OC ZINC000337057716 283053454 /nfs/dbraw/zinc/05/34/54/283053454.db2.gz DKKRXFQATPDMQW-UHFFFAOYSA-N 2 0 328.457 -0.423 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)[C@H](C)C[NH2+]1 ZINC000643581094 375912932 /nfs/dbraw/zinc/91/29/32/375912932.db2.gz MQRZVEISZCEFAD-ZIAGYGMSSA-N 2 0 331.420 -0.061 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCSC1 ZINC000642768810 376087981 /nfs/dbraw/zinc/08/79/81/376087981.db2.gz GFXYFKNEGYCGTK-WWGRRREGSA-N 2 0 340.493 -0.107 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000642773224 376094214 /nfs/dbraw/zinc/09/42/14/376094214.db2.gz BUXJCRYHMGMGPD-MCIONIFRSA-N 2 0 326.441 -0.448 20 0 EBADRP C[C@H](CCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[NH+]1CCCCC1 ZINC000584043643 376061801 /nfs/dbraw/zinc/06/18/01/376061801.db2.gz ZQZKIFAFIUYFGU-HUUCEWRRSA-N 2 0 339.484 -0.532 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CS1 ZINC000564820266 376148830 /nfs/dbraw/zinc/14/88/30/376148830.db2.gz ZMEUUGUJRMXGRC-OLZOCXBDSA-N 2 0 330.498 -0.052 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000557294062 376170160 /nfs/dbraw/zinc/17/01/60/376170160.db2.gz YEUQZIKOYRYHOQ-MRXNPFEDSA-N 2 0 326.441 -0.717 20 0 EBADRP C[C@@H](NC(=O)C[C@H]1C[NH2+]CCO1)C(=O)NCC[NH+]1CCCCC1 ZINC000566195520 376413244 /nfs/dbraw/zinc/41/32/44/376413244.db2.gz WVETXBIYCKIGLQ-KGLIPLIRSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000569367022 376422197 /nfs/dbraw/zinc/42/21/97/376422197.db2.gz WLRMPRRUMWHJTF-CQSZACIVSA-N 2 0 348.451 -0.701 20 0 EBADRP CC(C)[NH+](CCNC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000642855570 376430503 /nfs/dbraw/zinc/43/05/03/376430503.db2.gz XGWYRWGXKFLLIP-KGLIPLIRSA-N 2 0 328.457 -0.204 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000410481659 376470776 /nfs/dbraw/zinc/47/07/76/376470776.db2.gz GDAPVVDXVVYVBT-HNNXBMFYSA-N 2 0 340.468 -0.280 20 0 EBADRP COC(=O)c1cnc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cn1 ZINC000600700627 376483381 /nfs/dbraw/zinc/48/33/81/376483381.db2.gz DLDOKZYLHALEOA-ZDUSSCGKSA-N 2 0 347.419 -0.093 20 0 EBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000642896737 376573825 /nfs/dbraw/zinc/57/38/25/376573825.db2.gz FUQSXQXULMFJBI-OAHLLOKOSA-N 2 0 339.484 -0.613 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642905496 376686551 /nfs/dbraw/zinc/68/65/51/376686551.db2.gz NSAPXLZNCPAOCL-CQSZACIVSA-N 3 0 327.473 -0.804 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000561223776 376815978 /nfs/dbraw/zinc/81/59/78/376815978.db2.gz FBBKXKIEEJFIJD-ZDUSSCGKSA-N 2 0 335.408 -0.090 20 0 EBADRP C[NH+](C)C[C@@](C)(O)CNc1cc(NC[C@](C)(O)C[NH+](C)C)ncn1 ZINC000128204484 376871236 /nfs/dbraw/zinc/87/12/36/376871236.db2.gz LWSWJHNJMYAFIE-HOTGVXAUSA-N 2 0 340.472 -0.074 20 0 EBADRP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N[C@H](CO)C[NH+](C)C)cc21 ZINC000635928533 377137349 /nfs/dbraw/zinc/13/73/49/377137349.db2.gz IFKZVYGRHXVASS-ZDUSSCGKSA-N 2 0 349.435 -0.044 20 0 EBADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000569957964 377188325 /nfs/dbraw/zinc/18/83/25/377188325.db2.gz YIOODFHFNJSFLC-ILXRZTDVSA-N 2 0 338.452 -0.352 20 0 EBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCN(CCC(=O)OC)C[C@H]1C ZINC000570164333 377214661 /nfs/dbraw/zinc/21/46/61/377214661.db2.gz PPAZVRMRQLYXOW-NEPJUHHUSA-N 2 0 329.397 -0.637 20 0 EBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000570618916 377261316 /nfs/dbraw/zinc/26/13/16/377261316.db2.gz BVCRJKFILKOMME-CABCVRRESA-N 2 0 339.484 -0.532 20 0 EBADRP COCC[N@H+](C)C[C@@H](O)CN1CCN(CC(=O)N2CCCC2)CC1 ZINC000570902822 377298024 /nfs/dbraw/zinc/29/80/24/377298024.db2.gz QLXITEDNUFSPLA-MRXNPFEDSA-N 2 0 342.484 -0.835 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000642986983 377441788 /nfs/dbraw/zinc/44/17/88/377441788.db2.gz ZHBNHEOMZLMDLX-HIFRSBDPSA-N 2 0 331.420 -0.156 20 0 EBADRP CN1CCN(C(=O)C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000589647442 377416780 /nfs/dbraw/zinc/41/67/80/377416780.db2.gz JIWYEAGKTAUJRE-UHFFFAOYSA-N 2 0 340.449 -0.078 20 0 EBADRP CCCNC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000592824280 377853236 /nfs/dbraw/zinc/85/32/36/377853236.db2.gz HHFGKUSRMQLCBE-UONOGXRCSA-N 2 0 338.452 -0.086 20 0 EBADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)C2)CC1 ZINC000593906119 377920743 /nfs/dbraw/zinc/92/07/43/377920743.db2.gz RGBHDFGSEKAUDU-JZXOWHBKSA-N 2 0 336.480 -0.151 20 0 EBADRP CC(C)C[N@H+](C)CCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595274736 377987675 /nfs/dbraw/zinc/98/76/75/377987675.db2.gz URQVIHUOKWBYDP-UONOGXRCSA-N 2 0 325.457 -0.082 20 0 EBADRP COC(=O)CCN1CCC[C@H]([N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1=O ZINC000595890808 378032570 /nfs/dbraw/zinc/03/25/70/378032570.db2.gz FGMZADLBPSSRBQ-GJZGRUSLSA-N 2 0 338.452 -0.480 20 0 EBADRP CCOC(=O)CNC(=O)C1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000595889930 378032693 /nfs/dbraw/zinc/03/26/93/378032693.db2.gz ADHGCJXTIAXKNL-AWEZNQCLSA-N 2 0 339.436 -0.101 20 0 EBADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)NC[C@H]3C[N@@H+]4CCN3CCC4)c21 ZINC000595976474 378043169 /nfs/dbraw/zinc/04/31/69/378043169.db2.gz QMJBCERQGAGTPD-KGLIPLIRSA-N 2 0 332.452 -0.161 20 0 EBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC000601579888 378312688 /nfs/dbraw/zinc/31/26/88/378312688.db2.gz FXUXVTHXFOZGRJ-XHSDSOJGSA-N 2 0 349.479 -0.812 20 0 EBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C1(C[NH+](C)C)CC1 ZINC000602148676 378334911 /nfs/dbraw/zinc/33/49/11/378334911.db2.gz NRSUYUMBEHNSHR-UHFFFAOYSA-N 2 0 340.468 -0.423 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000636797991 378400677 /nfs/dbraw/zinc/40/06/77/378400677.db2.gz FRIMKYZOJASFDE-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000563109469 378431704 /nfs/dbraw/zinc/43/17/04/378431704.db2.gz DAROOZKEGJPGCT-UWVGGRQHSA-N 2 0 340.346 -0.781 20 0 EBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000636945361 378435587 /nfs/dbraw/zinc/43/55/87/378435587.db2.gz WTQDGVOEJAULID-XHSDSOJGSA-N 2 0 340.468 -0.270 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000337792437 378696183 /nfs/dbraw/zinc/69/61/83/378696183.db2.gz CPDUQIVWFRDIRG-LSDHHAIUSA-N 2 0 340.468 -0.201 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339636833 378964217 /nfs/dbraw/zinc/96/42/17/378964217.db2.gz QACWBKYYPNYACU-CQSZACIVSA-N 2 0 326.441 -0.576 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000339644095 378966288 /nfs/dbraw/zinc/96/62/88/378966288.db2.gz LCYXGHYKMPBGIW-AWEZNQCLSA-N 2 0 339.484 -0.661 20 0 EBADRP Cc1nn(C)c(N2CCOCC2)c1CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563430921 379015526 /nfs/dbraw/zinc/01/55/26/379015526.db2.gz CNKIWXOIDMCSBN-ZFWWWQNUSA-N 2 0 348.451 -0.691 20 0 EBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000627398621 379041989 /nfs/dbraw/zinc/04/19/89/379041989.db2.gz QXKDDAGXJPKJGU-RBSFLKMASA-N 2 0 339.484 -0.757 20 0 EBADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000627292255 379120953 /nfs/dbraw/zinc/12/09/53/379120953.db2.gz PRSAZKPWRMLIGU-CVEARBPZSA-N 2 0 348.447 -0.620 20 0 EBADRP CC(C)(CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[NH+]1CCCCC1 ZINC000627291075 379122094 /nfs/dbraw/zinc/12/20/94/379122094.db2.gz JUTLOJGNHJAXBS-CYBMUJFWSA-N 2 0 326.441 -0.528 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000627291316 379122371 /nfs/dbraw/zinc/12/23/71/379122371.db2.gz QMOCJGYWNMNBDW-UHFFFAOYSA-N 2 0 328.457 -0.199 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627291970 379122598 /nfs/dbraw/zinc/12/25/98/379122598.db2.gz JHIFJQAEILRZDL-MRXNPFEDSA-N 2 0 348.447 -0.189 20 0 EBADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000629791878 379135387 /nfs/dbraw/zinc/13/53/87/379135387.db2.gz DCCUMKLHHMMERL-UHFFFAOYSA-N 2 0 328.457 -0.247 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)C[C@@H]21 ZINC000454447501 379116570 /nfs/dbraw/zinc/11/65/70/379116570.db2.gz VMQSKDUENFRDIY-ILXRZTDVSA-N 2 0 337.468 -0.081 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CCOCC[NH3+])CCCO1 ZINC000627296496 379142457 /nfs/dbraw/zinc/14/24/57/379142457.db2.gz IQCYDBZRAQRMGX-CQSZACIVSA-N 2 0 344.456 -0.963 20 0 EBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCOCC[NH3+])C[C@@H]1C ZINC000629799390 379142609 /nfs/dbraw/zinc/14/26/09/379142609.db2.gz PFOMVJLRPIIVGZ-UONOGXRCSA-N 2 0 328.457 -0.249 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000629798740 379142767 /nfs/dbraw/zinc/14/27/67/379142767.db2.gz CCHORFHIOZMYFT-CQSZACIVSA-N 2 0 328.457 -0.247 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000627296883 379143487 /nfs/dbraw/zinc/14/34/87/379143487.db2.gz VZSDHZTYLJXYHB-SOUVJXGZSA-N 2 0 340.468 -0.140 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCOCC[NH3+])[C@@H](C)C1 ZINC000629797185 379146281 /nfs/dbraw/zinc/14/62/81/379146281.db2.gz AYMGVNIEQICUKO-KBPBESRZSA-N 2 0 328.457 -0.391 20 0 EBADRP CN(CCOCCNC(=O)C1([NH+](C)C)CC1)C(=O)C1([NH+](C)C)CC1 ZINC000619325878 379182908 /nfs/dbraw/zinc/18/29/08/379182908.db2.gz AHFUABBGQBBHTJ-UHFFFAOYSA-N 2 0 340.468 -0.234 20 0 EBADRP COC[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC[NH2+]C1 ZINC000571554709 379216001 /nfs/dbraw/zinc/21/60/01/379216001.db2.gz IVZZPHAAODPXRB-RHSMWYFYSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H](CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[NH+](C)C ZINC000459034353 379241558 /nfs/dbraw/zinc/24/15/58/379241558.db2.gz COFYXMYILVJPKO-UONOGXRCSA-N 2 0 325.457 -0.116 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1nncn1C ZINC000631869928 379327396 /nfs/dbraw/zinc/32/73/96/379327396.db2.gz ZNBPMAOZPOEALU-ZDUSSCGKSA-N 2 0 344.485 -0.148 20 0 EBADRP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)[NH+]1CCC(C)CC1 ZINC000627331863 379340190 /nfs/dbraw/zinc/34/01/90/379340190.db2.gz KCDNROKKXCQHER-CQSZACIVSA-N 2 0 340.468 -0.153 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000627331589 379340581 /nfs/dbraw/zinc/34/05/81/379340581.db2.gz BUQBUPFCGLABQH-UHFFFAOYSA-N 2 0 328.457 -0.471 20 0 EBADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627312400 379303021 /nfs/dbraw/zinc/30/30/21/379303021.db2.gz XTWLBUOFNRNVJL-RBSFLKMASA-N 2 0 342.484 -0.097 20 0 EBADRP C[C@@H]1CN(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@H](C)O1 ZINC000112362257 379314732 /nfs/dbraw/zinc/31/47/32/379314732.db2.gz ODOYOLWCNPMVOD-ZIAGYGMSSA-N 2 0 336.502 -0.234 20 0 EBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NCCOCC[NH+](C)C)CC1 ZINC000471652529 379377525 /nfs/dbraw/zinc/37/75/25/379377525.db2.gz FIBVTOUDKDKLEU-HNNXBMFYSA-N 2 0 330.473 -0.043 20 0 EBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1COCCN1 ZINC000269311429 379362455 /nfs/dbraw/zinc/36/24/55/379362455.db2.gz XDILVNZOYYAHDK-INIZCTEOSA-N 2 0 333.436 -0.302 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621839677 379366823 /nfs/dbraw/zinc/36/68/23/379366823.db2.gz WWTNOWBOPCKWOP-GUYCJALGSA-N 2 0 338.452 -0.447 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621844389 379367499 /nfs/dbraw/zinc/36/74/99/379367499.db2.gz QVHZVRWXIAIQDN-CJNGLKHVSA-N 2 0 326.441 -0.589 20 0 EBADRP CCN1CCO[C@H](C(=O)N2CC[C@H](OCCN3CCOCC3)C2)C1 ZINC000479020079 379440093 /nfs/dbraw/zinc/44/00/93/379440093.db2.gz RCPSCUBTOZHLMO-HOTGVXAUSA-N 2 0 341.452 -0.343 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000627350002 379408563 /nfs/dbraw/zinc/40/85/63/379408563.db2.gz GJZZCOBLWXOHMX-UHFFFAOYSA-N 2 0 333.436 -0.031 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000270758491 379473005 /nfs/dbraw/zinc/47/30/05/379473005.db2.gz DYFLLOIJQBPAFA-HNNXBMFYSA-N 2 0 335.452 -0.002 20 0 EBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000487650307 379502294 /nfs/dbraw/zinc/50/22/94/379502294.db2.gz GYSHGGFJCQSAHP-HUUCEWRRSA-N 2 0 340.468 -0.567 20 0 EBADRP Nc1nc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)nc(N)[nH+]1 ZINC000624157734 379517354 /nfs/dbraw/zinc/51/73/54/379517354.db2.gz YTSUJFDRXHZMNA-CYBMUJFWSA-N 2 0 329.408 -0.178 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000627397457 379579736 /nfs/dbraw/zinc/57/97/36/379579736.db2.gz NEYUXWNCERFTHX-OAHLLOKOSA-N 2 0 336.436 -0.161 20 0 EBADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627394315 379579905 /nfs/dbraw/zinc/57/99/05/379579905.db2.gz CYSIVSVTWBNVDX-QWHCGFSZSA-N 2 0 326.441 -0.672 20 0 EBADRP CC[NH2+]CCNC(=O)C(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000627405888 379582340 /nfs/dbraw/zinc/58/23/40/379582340.db2.gz PTQLEGOJZXPEOO-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000627398830 379582654 /nfs/dbraw/zinc/58/26/54/379582654.db2.gz XSEWVTSVLGUFOK-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627409609 379585003 /nfs/dbraw/zinc/58/50/03/379585003.db2.gz IUEKDOKDCBVFRX-ZDUSSCGKSA-N 2 0 326.441 -0.589 20 0 EBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC1 ZINC000627411812 379586120 /nfs/dbraw/zinc/58/61/20/379586120.db2.gz UTXSCISQHISBMH-CYBMUJFWSA-N 2 0 326.441 -0.447 20 0 EBADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000627427348 379592450 /nfs/dbraw/zinc/59/24/50/379592450.db2.gz CILNBQIGGTYTCS-KGLIPLIRSA-N 2 0 338.452 -0.386 20 0 EBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627428751 379594538 /nfs/dbraw/zinc/59/45/38/379594538.db2.gz NKIZUENGDQAVHK-CQSZACIVSA-N 2 0 328.457 -0.295 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000627358047 379563467 /nfs/dbraw/zinc/56/34/67/379563467.db2.gz ZAJYBZAKLOXACQ-CQSZACIVSA-N 2 0 328.457 -0.471 20 0 EBADRP CC1CC[NH+](CCNC(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627357413 379563672 /nfs/dbraw/zinc/56/36/72/379563672.db2.gz FWJBNJZIDSROEO-UHFFFAOYSA-N 2 0 326.441 -0.541 20 0 EBADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627364622 379568206 /nfs/dbraw/zinc/56/82/06/379568206.db2.gz SVAPJFHYWNNXCE-LSDHHAIUSA-N 2 0 340.468 -0.281 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000627370822 379569731 /nfs/dbraw/zinc/56/97/31/379569731.db2.gz NLWRLKQCPKGQTR-HNNXBMFYSA-N 2 0 346.497 -0.766 20 0 EBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C[NH2+]1 ZINC000627370983 379569819 /nfs/dbraw/zinc/56/98/19/379569819.db2.gz SDARUFWXPZDJKI-JMSVASOKSA-N 2 0 328.482 -0.203 20 0 EBADRP C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C[NH2+]1 ZINC000627480024 379630108 /nfs/dbraw/zinc/63/01/08/379630108.db2.gz KCTOQDPCYJKQGB-UONOGXRCSA-N 2 0 340.468 -0.188 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000627484746 379633639 /nfs/dbraw/zinc/63/36/39/379633639.db2.gz HWVOBKHEYZVDQW-AWEZNQCLSA-N 2 0 326.441 -0.445 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000627488896 379640055 /nfs/dbraw/zinc/64/00/55/379640055.db2.gz LNGUTCLCBZMLER-AWEZNQCLSA-N 2 0 326.441 -0.588 20 0 EBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000627493599 379641355 /nfs/dbraw/zinc/64/13/55/379641355.db2.gz MHMLSTXVQUNWJW-UKRRQHHQSA-N 2 0 349.435 -0.796 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000627501546 379646353 /nfs/dbraw/zinc/64/63/53/379646353.db2.gz OPXGODHCQIYAIK-DZGCQCFKSA-N 2 0 338.452 -0.576 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000627464538 379615538 /nfs/dbraw/zinc/61/55/38/379615538.db2.gz FBUADIHPRIXQBV-ZIAGYGMSSA-N 2 0 328.457 -0.425 20 0 EBADRP C[C@H](NC(N)=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000274760189 379714594 /nfs/dbraw/zinc/71/45/94/379714594.db2.gz NDWNRWRCKLJTGY-ZDUSSCGKSA-N 2 0 334.424 -0.233 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000642222625 379744271 /nfs/dbraw/zinc/74/42/71/379744271.db2.gz ITYHWUOAINTGAN-HUUCEWRRSA-N 2 0 340.468 -0.282 20 0 EBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000631954568 379790872 /nfs/dbraw/zinc/79/08/72/379790872.db2.gz QKNUDDUOFBCNCN-QLFBSQMISA-N 2 0 325.434 -0.350 20 0 EBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)NCc1cccc2c1CC[NH2+]C2 ZINC000631963036 379793058 /nfs/dbraw/zinc/79/30/58/379793058.db2.gz SRPYMJSNAFLJCE-CQSZACIVSA-N 2 0 325.434 -0.260 20 0 EBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000631962256 379793695 /nfs/dbraw/zinc/79/36/95/379793695.db2.gz LGBIOQZRAVDOMT-OAHLLOKOSA-N 2 0 347.481 -0.509 20 0 EBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCC(C)CC2)CCO1 ZINC000642300709 379799830 /nfs/dbraw/zinc/79/98/30/379799830.db2.gz CBLPDUOKNLGCQE-HUUCEWRRSA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH+](C)CCCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000631882536 379768212 /nfs/dbraw/zinc/76/82/12/379768212.db2.gz DVXAUFCWNZOXSB-CYBMUJFWSA-N 2 0 334.486 -0.555 20 0 EBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]3COCC[NH2+]3)C2)CC1 ZINC000626978730 379771185 /nfs/dbraw/zinc/77/11/85/379771185.db2.gz JWBCRAVHRVVIRN-KBPBESRZSA-N 2 0 325.457 -0.558 20 0 EBADRP C[NH2+]CC1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000631904561 379771235 /nfs/dbraw/zinc/77/12/35/379771235.db2.gz RLONYNINVOYXHR-UHFFFAOYSA-N 2 0 332.514 -0.115 20 0 EBADRP C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)C[C@@H]3C[NH2+]CCO3)CC2)C1 ZINC000631920309 379779906 /nfs/dbraw/zinc/77/99/06/379779906.db2.gz XCUNLWMDJVUMRZ-CABCVRRESA-N 2 0 346.497 -0.984 20 0 EBADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631941325 379788108 /nfs/dbraw/zinc/78/81/08/379788108.db2.gz UJKQSZQAMRPIRO-MCIONIFRSA-N 2 0 333.454 -0.867 20 0 EBADRP CN(CC[N@H+](C)C1CC1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632227116 379832030 /nfs/dbraw/zinc/83/20/30/379832030.db2.gz OTDBQMSYFIUBLQ-UHFFFAOYSA-N 2 0 332.514 -0.020 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCOCCC[NH3+])CC1 ZINC000627215047 379840725 /nfs/dbraw/zinc/84/07/25/379840725.db2.gz FRJUYDCWQXUTBL-CQSZACIVSA-N 2 0 341.456 -0.700 20 0 EBADRP C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632367855 379853895 /nfs/dbraw/zinc/85/38/95/379853895.db2.gz XSMNSKLWHVRPCU-CABCVRRESA-N 2 0 332.514 -0.022 20 0 EBADRP C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632367858 379854082 /nfs/dbraw/zinc/85/40/82/379854082.db2.gz XSMNSKLWHVRPCU-LSDHHAIUSA-N 2 0 332.514 -0.022 20 0 EBADRP CC(C)C[C@H](NC(=O)NC[C@@H]1COCC[NH2+]1)C(=O)NCC[NH+](C)C ZINC000627187614 379826639 /nfs/dbraw/zinc/82/66/39/379826639.db2.gz LWTWISQBCYTFIA-KGLIPLIRSA-N 2 0 343.472 -0.634 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000633086357 379930008 /nfs/dbraw/zinc/93/00/08/379930008.db2.gz QEEKTWPKPZRISX-KFWWJZLASA-N 2 0 340.468 -0.391 20 0 EBADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637834776 379877208 /nfs/dbraw/zinc/87/72/08/379877208.db2.gz HGSUIPFSKWOMRB-KRWDZBQOSA-N 2 0 333.480 -0.191 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[C@H]1C[NH3+] ZINC000633074872 379928273 /nfs/dbraw/zinc/92/82/73/379928273.db2.gz BZSDMTJDYCMBSY-ZIAGYGMSSA-N 2 0 331.420 -0.217 20 0 EBADRP COCC[NH+]1CCC(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000564208025 379976963 /nfs/dbraw/zinc/97/69/63/379976963.db2.gz MOWOWNWLXDJTQC-CQSZACIVSA-N 2 0 336.440 -0.129 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633089444 379932707 /nfs/dbraw/zinc/93/27/07/379932707.db2.gz MGPZNZHZRNGSMD-GASCZTMLSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000633088463 379933130 /nfs/dbraw/zinc/93/31/30/379933130.db2.gz GJRHGDTWSFINLT-IMJJTQAJSA-N 2 0 349.479 -0.814 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633108711 379941820 /nfs/dbraw/zinc/94/18/20/379941820.db2.gz HMASCUJNIDJVCS-UHFFFAOYSA-N 2 0 340.468 -0.103 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000633119134 379946037 /nfs/dbraw/zinc/94/60/37/379946037.db2.gz ORYIMHDYEVUAEQ-ILXRZTDVSA-N 2 0 338.452 -0.495 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000633138902 379947358 /nfs/dbraw/zinc/94/73/58/379947358.db2.gz FIUDTSDUIKVRFR-STQMWFEESA-N 2 0 347.419 -0.313 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000354664981 380075939 /nfs/dbraw/zinc/07/59/39/380075939.db2.gz NRXQAGJAXWGVBO-UHFFFAOYSA-N 2 0 328.457 -0.377 20 0 EBADRP CC[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+]1C[C@@H](C)O ZINC000354684167 380082664 /nfs/dbraw/zinc/08/26/64/380082664.db2.gz XJWQVJQSZJUHHX-KFWWJZLASA-N 2 0 340.468 -0.452 20 0 EBADRP CN1CCO[C@@H](CS(=O)(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000631679289 380204992 /nfs/dbraw/zinc/20/49/92/380204992.db2.gz UWRQPZPOFUWJOE-OAHLLOKOSA-N 2 0 340.449 -0.136 20 0 EBADRP C[C@]1(CO)C[C@H](O)C[N@@H+]1CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000639853737 380228252 /nfs/dbraw/zinc/22/82/52/380228252.db2.gz LRVWXESDSOOWHW-WMLDXEAASA-N 2 0 337.420 -0.259 20 0 EBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCC(C)(C)C(N)=O)C2)CC1 ZINC000361515720 380318822 /nfs/dbraw/zinc/31/88/22/380318822.db2.gz KODWPICLUFWKPV-GFCCVEGCSA-N 2 0 325.457 -0.034 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@](C)(C(N)=O)C2)C1 ZINC000361556679 380322034 /nfs/dbraw/zinc/32/20/34/380322034.db2.gz JUQJZNJRWZMCLU-YOEHRIQHSA-N 2 0 340.468 -0.343 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000246564305 380273936 /nfs/dbraw/zinc/27/39/36/380273936.db2.gz LZLQIWHBPVUBQL-GOEBONIOSA-N 2 0 330.473 -0.045 20 0 EBADRP [NH3+]Cc1ncc(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cn1 ZINC000638218108 380284429 /nfs/dbraw/zinc/28/44/29/380284429.db2.gz DFDKTNCXCGEQJN-JTQLQIEISA-N 2 0 332.330 -0.499 20 0 EBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000638220581 380291085 /nfs/dbraw/zinc/29/10/85/380291085.db2.gz RPJOXOJGNWJPTL-LOWVWBTDSA-N 2 0 338.374 -0.294 20 0 EBADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000638226425 380292855 /nfs/dbraw/zinc/29/28/55/380292855.db2.gz GFRFHAUBNLGDQD-ZWKOTPCHSA-N 2 0 345.491 -0.048 20 0 EBADRP CN(C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCC[NH+]1C ZINC000615214833 380294778 /nfs/dbraw/zinc/29/47/78/380294778.db2.gz HHOCMDQSECRISN-MGPQQGTHSA-N 2 0 326.441 -0.890 20 0 EBADRP CC[C@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@@H](CC)[NH+](C)C)[NH+](C)C ZINC000615216511 380296694 /nfs/dbraw/zinc/29/66/94/380296694.db2.gz YWHHZPAPJNVYMJ-BFHYXJOUSA-N 2 0 330.473 -0.398 20 0 EBADRP CN1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)[C@H](C[NH3+])C1 ZINC000564787704 380379274 /nfs/dbraw/zinc/37/92/74/380379274.db2.gz UKNMPPYVBQGXMV-CQSZACIVSA-N 2 0 339.484 -0.532 20 0 EBADRP C[C@@H](CN1CCOCC1)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000153516668 380440023 /nfs/dbraw/zinc/44/00/23/380440023.db2.gz OHXUVVRHNVJNKG-HNNXBMFYSA-N 3 0 329.489 -0.158 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)n1 ZINC000154507472 380507287 /nfs/dbraw/zinc/50/72/87/380507287.db2.gz FVFGURMNWAIJCG-ZDUSSCGKSA-N 2 0 336.440 -0.064 20 0 EBADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000567249381 380508828 /nfs/dbraw/zinc/50/88/28/380508828.db2.gz BSBILSRQDCMYJA-ZFWWWQNUSA-N 2 0 346.497 -0.113 20 0 EBADRP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@H](O)CN2CCOCC2)CC1 ZINC000567262390 380509108 /nfs/dbraw/zinc/50/91/08/380509108.db2.gz MWUDZXXQUHBBFX-KRWDZBQOSA-N 2 0 349.479 -0.384 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000340482302 380511784 /nfs/dbraw/zinc/51/17/84/380511784.db2.gz FMOVCEKXMQLQSB-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP Cn1cc(N2CC[C@@H](N3CCC[C@@H](n4cc(C[NH3+])nn4)C3)C2=O)cn1 ZINC000566300546 380461882 /nfs/dbraw/zinc/46/18/82/380461882.db2.gz MSURGGSEKMCCBB-UKRRQHHQSA-N 2 0 344.423 -0.087 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NCCCC[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000340352347 380470401 /nfs/dbraw/zinc/47/04/01/380470401.db2.gz UMRUYEVZCKXYJK-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H]1[C@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)CCC[N@@H+]1C ZINC000340352373 380470981 /nfs/dbraw/zinc/47/09/81/380470981.db2.gz UUOCFBCLRPFPRR-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638475751 380481172 /nfs/dbraw/zinc/48/11/72/380481172.db2.gz CMBZOTWQEWQPSI-MRXNPFEDSA-N 2 0 345.447 -0.274 20 0 EBADRP [NH3+]Cc1cc(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)ccn1 ZINC000638480323 380482872 /nfs/dbraw/zinc/48/28/72/380482872.db2.gz LQOLBUNUKWFMMI-UHFFFAOYSA-N 2 0 332.408 -0.677 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000340506242 380521565 /nfs/dbraw/zinc/52/15/65/380521565.db2.gz DOEHUKHWMCHBTQ-ZDUSSCGKSA-N 2 0 326.441 -0.719 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000340551652 380538966 /nfs/dbraw/zinc/53/89/66/380538966.db2.gz WOABNWPDFFDHNT-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000340554844 380541649 /nfs/dbraw/zinc/54/16/49/380541649.db2.gz YDCDRTNHQYNDGI-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000567801354 380545150 /nfs/dbraw/zinc/54/51/50/380545150.db2.gz YCHNZGYXTFWWNC-GJZGRUSLSA-N 2 0 348.451 -0.123 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1CCC[NH+](C)[C@@H]1C ZINC000340575663 380550724 /nfs/dbraw/zinc/55/07/24/380550724.db2.gz NHWNFRHPMHTCNX-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP CCN1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000369926672 380578947 /nfs/dbraw/zinc/57/89/47/380578947.db2.gz KNPJRHZNRVKHGR-JKSUJKDBSA-N 2 0 340.468 -0.770 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000569211769 380633714 /nfs/dbraw/zinc/63/37/14/380633714.db2.gz HOFXMDKMINVOMC-KRWDZBQOSA-N 2 0 339.484 -0.850 20 0 EBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000569240893 380635370 /nfs/dbraw/zinc/63/53/70/380635370.db2.gz XTYQPQLINBMLBB-CABCVRRESA-N 2 0 329.489 -0.199 20 0 EBADRP O=C(C[C@@H]1CSCC[NH2+]1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000371279898 380642193 /nfs/dbraw/zinc/64/21/93/380642193.db2.gz LWWIWFOIASMCLM-LSDHHAIUSA-N 2 0 342.509 -0.396 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NCCN1CCOC[C@H]1C)C[NH+]1CCCC1 ZINC000340768629 380625907 /nfs/dbraw/zinc/62/59/07/380625907.db2.gz FMVAADKTRXBMME-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000573202101 380661910 /nfs/dbraw/zinc/66/19/10/380661910.db2.gz MHEKQMXLECNVGS-SUYBPPKGSA-N 2 0 338.452 -0.591 20 0 EBADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000573355383 380671189 /nfs/dbraw/zinc/67/11/89/380671189.db2.gz ZKHCYHQNXLTASW-ZDUSSCGKSA-N 2 0 326.441 -0.495 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH+]1CCOC ZINC000341567297 380709728 /nfs/dbraw/zinc/70/97/28/380709728.db2.gz SYMSPVJBHZTBRP-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000573817577 380689136 /nfs/dbraw/zinc/68/91/36/380689136.db2.gz OYDWRLVCNPQYTI-AWEZNQCLSA-N 2 0 334.420 -0.279 20 0 EBADRP [NH3+]CC(=O)NCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000373710444 380762334 /nfs/dbraw/zinc/76/23/34/380762334.db2.gz FLKBVSCLQUHUGO-ZWNOBZJWSA-N 2 0 326.347 -0.399 20 0 EBADRP COCC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000576242213 380763183 /nfs/dbraw/zinc/76/31/83/380763183.db2.gz RLXIFZPJTDVJDC-KBPBESRZSA-N 2 0 339.440 -0.949 20 0 EBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2CCC[NH+]2CCOC)CC1 ZINC000341542217 380716044 /nfs/dbraw/zinc/71/60/44/380716044.db2.gz DWNHJQOSPINURA-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP CC(C)[NH+]1CCC(NC(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000575330613 380737486 /nfs/dbraw/zinc/73/74/86/380737486.db2.gz ALYNNPFEXKZIAA-CABCVRRESA-N 2 0 337.468 -0.781 20 0 EBADRP [NH3+]CC1(O)CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000576468469 380773407 /nfs/dbraw/zinc/77/34/07/380773407.db2.gz FKHVKWGVSGXKFV-UHFFFAOYSA-N 2 0 347.463 -0.094 20 0 EBADRP C[C@@H]1C[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H](C)O1 ZINC000580639190 380805992 /nfs/dbraw/zinc/80/59/92/380805992.db2.gz BBTLTOSIKGLRPE-ILXRZTDVSA-N 2 0 342.484 -0.132 20 0 EBADRP CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CC[C@H](CN3CCOCC3)C2)C1 ZINC000374882743 380816653 /nfs/dbraw/zinc/81/66/53/380816653.db2.gz WHMHHFBORNCHIR-CABCVRRESA-N 2 0 331.482 -0.078 20 0 EBADRP C[C@H]1C[NH+](CC2CCN(C(=O)CNC(=O)C[NH3+])CC2)C[C@H](C)O1 ZINC000125213011 380826126 /nfs/dbraw/zinc/82/61/26/380826126.db2.gz FUXYSIZPRAOPKH-STQMWFEESA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000125216102 380826632 /nfs/dbraw/zinc/82/66/32/380826632.db2.gz AOHDAOVZCCXWJR-OKILXGFUSA-N 2 0 325.457 -0.922 20 0 EBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000577849052 380848399 /nfs/dbraw/zinc/84/83/99/380848399.db2.gz UJZUDUQTHHONOQ-YMAMQOFZSA-N 2 0 337.468 -0.813 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000375968305 380884352 /nfs/dbraw/zinc/88/43/52/380884352.db2.gz IMIIJCZBHIHUOX-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CN(C)S(C)(=O)=O ZINC000122939165 380902527 /nfs/dbraw/zinc/90/25/27/380902527.db2.gz DEAHUJRTJXZXEF-UHFFFAOYSA-N 2 0 334.486 -0.638 20 0 EBADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000579351798 380985025 /nfs/dbraw/zinc/98/50/25/380985025.db2.gz ANHMNZQCQDEICI-OAHLLOKOSA-N 2 0 326.441 -0.672 20 0 EBADRP C[C@@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[N@H+](C)C1CC1 ZINC000417547964 380935639 /nfs/dbraw/zinc/93/56/39/380935639.db2.gz HNIJJEPPYDXQCT-QWHCGFSZSA-N 2 0 325.457 -0.034 20 0 EBADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)C[C@]1(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)CC[NH2+]C1 ZINC000343649744 381008022 /nfs/dbraw/zinc/00/80/22/381008022.db2.gz WTCBQDVWKMXUDC-QFRSUPTLSA-N 3 0 337.468 -0.748 20 0 EBADRP Cn1ccnc1CN(C(=O)COC1C[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000582726947 381060400 /nfs/dbraw/zinc/06/04/00/381060400.db2.gz USOXRRPPIQCBAR-CQSZACIVSA-N 2 0 333.436 -0.121 20 0 EBADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000617506542 381035201 /nfs/dbraw/zinc/03/52/01/381035201.db2.gz RVKUFOFSTASPNI-HOTGVXAUSA-N 2 0 325.501 -0.236 20 0 EBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000642439536 381094186 /nfs/dbraw/zinc/09/41/86/381094186.db2.gz LADPABPFGZUFNP-UONOGXRCSA-N 2 0 326.441 -0.447 20 0 EBADRP CN1CCN(C(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)[C@H](C[NH3+])C1 ZINC000583074484 381096997 /nfs/dbraw/zinc/09/69/97/381096997.db2.gz HOFLQHFQABHKCF-MRXNPFEDSA-N 2 0 347.463 -0.534 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418772256 381263168 /nfs/dbraw/zinc/26/31/68/381263168.db2.gz SPDQVDFIAJFGHD-OAHLLOKOSA-N 3 0 329.489 -0.110 20 0 EBADRP C[C@@](O)(CNC(=O)N[C@H](C[NH3+])C1CCCC1)CN1CCOCC1 ZINC000418587471 381249824 /nfs/dbraw/zinc/24/98/24/381249824.db2.gz GTTURVCQBQIDTI-GDBMZVCRSA-N 2 0 328.457 -0.114 20 0 EBADRP 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C[C@H]([C@H](C)NC(=O)N1CC(N2CC[C@@H](O)C2)C1)N1CCOCC1 ZINC000650850352 419082266 /nfs/dbraw/zinc/08/22/66/419082266.db2.gz NHEHSRZJVUCQQY-GZBFAFLISA-N 2 0 326.441 -0.444 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCN(c3ncccc3F)C2)CC1 ZINC000518757520 419105826 /nfs/dbraw/zinc/10/58/26/419105826.db2.gz DOQVFLTVZHPZQH-CABCVRRESA-N 2 0 337.443 -0.003 20 0 EBADRP C[NH2+]CCN(C)C(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000423261871 419115218 /nfs/dbraw/zinc/11/52/18/419115218.db2.gz SZMICHAQOVSZPC-UHFFFAOYSA-N 2 0 335.408 -0.583 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000647593748 419121191 /nfs/dbraw/zinc/12/11/91/419121191.db2.gz DRVYEOFOSOSEJU-MELADBBJSA-N 2 0 328.457 -0.155 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000647594197 419121200 /nfs/dbraw/zinc/12/12/00/419121200.db2.gz PIPXCAFZNAIKGK-MJBXVCDLSA-N 2 0 339.484 -0.487 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC000643775855 419053094 /nfs/dbraw/zinc/05/30/94/419053094.db2.gz DLMOKDJIJJFDMY-CABCVRRESA-N 2 0 340.468 -0.105 20 0 EBADRP CC1(C)NC(=O)CC[C@H]1[NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000644537937 419169841 /nfs/dbraw/zinc/16/98/41/419169841.db2.gz HQOLJOTYTWUMRJ-ZIAGYGMSSA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CC(N3CC[C@@H](O)C3)C2)CCCO1 ZINC000651062027 419175239 /nfs/dbraw/zinc/17/52/39/419175239.db2.gz MDRDWXWUMGGDPD-GDBMZVCRSA-N 2 0 340.468 -0.052 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NCCC2(C[NH3+])CC2)CCCO1 ZINC000652668707 419247513 /nfs/dbraw/zinc/24/75/13/419247513.db2.gz KCNHVMJNZPIWMC-AWEZNQCLSA-N 2 0 340.468 -0.151 20 0 EBADRP COC[C@@]1(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCC[NH2+]1 ZINC000647693095 419211019 /nfs/dbraw/zinc/21/10/19/419211019.db2.gz RLLHRPNHTNUXFK-WMLDXEAASA-N 2 0 338.452 -0.575 20 0 EBADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)N1CCCOCC1 ZINC000651649699 419214409 /nfs/dbraw/zinc/21/44/09/419214409.db2.gz QXDLDDPJORDSET-UHFFFAOYSA-N 2 0 348.513 -0.089 20 0 EBADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000652621952 419241480 /nfs/dbraw/zinc/24/14/80/419241480.db2.gz ZFOPKFMGNKQTLD-STQMWFEESA-N 2 0 336.440 -0.031 20 0 EBADRP CCCN(C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[C@@H]1CC[NH2+]C1 ZINC000652621470 419241702 /nfs/dbraw/zinc/24/17/02/419241702.db2.gz LDPVNEOABDXCFA-CQSZACIVSA-N 2 0 336.440 -0.016 20 0 EBADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000652621642 419241714 /nfs/dbraw/zinc/24/17/14/419241714.db2.gz QFDGMFUOVRQBNG-LBPRGKRZSA-N 2 0 336.440 -0.031 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cn1 ZINC000652623216 419242063 /nfs/dbraw/zinc/24/20/63/419242063.db2.gz CSFXBRTWESZTDI-OCCSQVGLSA-N 2 0 334.424 -0.406 20 0 EBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN(C[C@H](C)O)CC2)C1 ZINC000411029126 419287008 /nfs/dbraw/zinc/28/70/08/419287008.db2.gz PVWBQQKVTDBWSW-GJZGRUSLSA-N 2 0 340.468 -0.548 20 0 EBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCN2CCOCC2)C1 ZINC000411025881 419287651 /nfs/dbraw/zinc/28/76/51/419287651.db2.gz MRMANQIHVWCSII-OAHLLOKOSA-N 2 0 340.468 -0.282 20 0 EBADRP O=C1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CN1CCN1CCOCC1 ZINC000647790231 419298526 /nfs/dbraw/zinc/29/85/26/419298526.db2.gz UXVUHGLWGVKCOY-HZMVEIRTSA-N 2 0 336.480 -0.103 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)C1 ZINC000645233289 419300483 /nfs/dbraw/zinc/30/04/83/419300483.db2.gz KWYPNQORCPCCCY-UONOGXRCSA-N 2 0 341.456 -0.532 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)C[C@H]1C[NH3+] ZINC000652705413 419301745 /nfs/dbraw/zinc/30/17/45/419301745.db2.gz HGHLNHFEMMEVSR-XSCHDIRWSA-N 2 0 340.468 -0.202 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C[C@H]1C[NH3+] ZINC000652727287 419320439 /nfs/dbraw/zinc/32/04/39/419320439.db2.gz JYKZZEBVAHJRTI-RBSFLKMASA-N 2 0 340.468 -0.391 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)C[C@H]1C[NH3+] ZINC000652728517 419322767 /nfs/dbraw/zinc/32/27/67/419322767.db2.gz NXYPOISKUCHYHV-HUUCEWRRSA-N 2 0 340.468 -0.249 20 0 EBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000187707346 419374307 /nfs/dbraw/zinc/37/43/07/419374307.db2.gz BTSGITNHQFXGHA-UHFFFAOYSA-N 2 0 336.440 -0.064 20 0 EBADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC1=O ZINC000341294513 419386052 /nfs/dbraw/zinc/38/60/52/419386052.db2.gz ATAIIXIBYWQMRA-AWEZNQCLSA-N 2 0 328.457 -0.378 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000346537427 419488837 /nfs/dbraw/zinc/48/88/37/419488837.db2.gz UICBIRSNWXEMQG-UKRRQHHQSA-N 2 0 340.468 -0.378 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000343880906 419474814 /nfs/dbraw/zinc/47/48/14/419474814.db2.gz CAECFYIYKIYPHG-KBPBESRZSA-N 2 0 326.441 -0.624 20 0 EBADRP CC(C)OCCN1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000519634276 419537777 /nfs/dbraw/zinc/53/77/77/419537777.db2.gz IEDZMHMJGAURQC-UHFFFAOYSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H](NC(=O)C(=O)N(C)CC[NH+]1CCCCC1)[C@@H]1CN(C)CCO1 ZINC000653427924 419554304 /nfs/dbraw/zinc/55/43/04/419554304.db2.gz VOTPSRNJJDGVPQ-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP Cc1nn(C)c(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1C ZINC000526131768 419596115 /nfs/dbraw/zinc/59/61/15/419596115.db2.gz WCSFZKNDYUSLMM-UHFFFAOYSA-N 2 0 338.456 -0.073 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000659689044 419698107 /nfs/dbraw/zinc/69/81/07/419698107.db2.gz QGOCUXVGWPCESE-UHFFFAOYSA-N 2 0 327.473 -0.676 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419949029 419829273 /nfs/dbraw/zinc/82/92/73/419829273.db2.gz KSMNYAOTTMYVJJ-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](C[NH3+])NC(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000420021811 419839109 /nfs/dbraw/zinc/83/91/09/419839109.db2.gz IRHTXLRAXDYYIB-KDOFPFPSSA-N 2 0 348.447 -0.455 20 0 EBADRP CCOC(=O)c1cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cn1C ZINC000420453376 419841960 /nfs/dbraw/zinc/84/19/60/419841960.db2.gz JZHOICCMLVNITL-UHFFFAOYSA-N 2 0 346.453 -0.110 20 0 EBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000423206528 419924126 /nfs/dbraw/zinc/92/41/26/419924126.db2.gz GAPXFRGNLSPKFN-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423267509 419929263 /nfs/dbraw/zinc/92/92/63/419929263.db2.gz TVWGXMSJOUQCSB-INIZCTEOSA-N 2 0 326.441 -0.765 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423276759 419929525 /nfs/dbraw/zinc/92/95/25/419929525.db2.gz OTCRTFMLJSSZDW-OAHLLOKOSA-N 2 0 337.468 -0.953 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000423262671 419927247 /nfs/dbraw/zinc/92/72/47/419927247.db2.gz NCRYASCLOCNRJJ-GJZGRUSLSA-N 2 0 342.484 -0.001 20 0 EBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000515158205 419979198 /nfs/dbraw/zinc/97/91/98/419979198.db2.gz KZTRTBZVAYZYFI-KGLIPLIRSA-N 2 0 328.457 -0.378 20 0 EBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC3CC[NH+](C4CCC4)CC3)CCN2C1=O ZINC000515673291 419985337 /nfs/dbraw/zinc/98/53/37/419985337.db2.gz SXHFYXULKWZPJL-LSDHHAIUSA-N 2 0 335.452 -0.043 20 0 EBADRP CN(C[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1)S(C)(=O)=O ZINC000515846292 419985674 /nfs/dbraw/zinc/98/56/74/419985674.db2.gz OOBDEXWIDAJCAC-AWEZNQCLSA-N 2 0 346.497 -0.588 20 0 EBADRP CCN1CC[NH+](CCCC[NH2+]C[C@H](O)CN2CCOCC2)CC1 ZINC000516276769 420510652 /nfs/dbraw/zinc/51/06/52/420510652.db2.gz LRIBXXOBYZYYIQ-KRWDZBQOSA-N 2 0 328.501 -0.313 20 0 EBADRP COC[C@]1(CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCC[NH2+]1 ZINC000516174734 420511070 /nfs/dbraw/zinc/51/10/70/420511070.db2.gz RZVBUMVIOPWMAP-SQWLQELKSA-N 2 0 336.440 -0.375 20 0 EBADRP COC1CC[NH+](CCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000646181082 420540191 /nfs/dbraw/zinc/54/01/91/420540191.db2.gz UNIMKLOGXUHJAG-AWEZNQCLSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000646215935 420541344 /nfs/dbraw/zinc/54/13/44/420541344.db2.gz SWRWHPAETPRQSL-BFHYXJOUSA-N 2 0 325.457 -0.034 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000516570617 420662170 /nfs/dbraw/zinc/66/21/70/420662170.db2.gz CGSQAFGSFSMGAT-CHWSQXEVSA-N 2 0 349.435 -0.019 20 0 EBADRP CC(C)[N@H+](C)C[C@@H](O)CN1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000659995759 420666066 /nfs/dbraw/zinc/66/60/66/420666066.db2.gz CFNKYKLTXOKPBE-CZUORRHYSA-N 2 0 326.441 -0.002 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000529386403 420764921 /nfs/dbraw/zinc/76/49/21/420764921.db2.gz KXQHAEVYSCXMFD-HUUCEWRRSA-N 2 0 326.441 -0.271 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529375540 420765757 /nfs/dbraw/zinc/76/57/57/420765757.db2.gz ICQBCLQNQBITCE-ZDUSSCGKSA-N 2 0 335.408 -0.090 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCNS(C)(=O)=O ZINC000523009415 420724493 /nfs/dbraw/zinc/72/44/93/420724493.db2.gz AOSCGPJZCJRAGH-CQSZACIVSA-N 2 0 348.513 -0.200 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000649320890 420800941 /nfs/dbraw/zinc/80/09/41/420800941.db2.gz DJHILGLGUNZOMO-IPYPFGDCSA-N 2 0 326.441 -0.857 20 0 EBADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1C[NH2+]CCC1(F)F ZINC000649335468 420802412 /nfs/dbraw/zinc/80/24/12/420802412.db2.gz DZWHIXPFOZGQRY-KBPBESRZSA-N 2 0 346.422 -0.246 20 0 EBADRP CC[NH+]1CCN(CCNC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000649350640 420803932 /nfs/dbraw/zinc/80/39/32/420803932.db2.gz VFEHDHFWMDBTOM-UHFFFAOYSA-N 2 0 334.468 -0.285 20 0 EBADRP C[NH+]1CCN(c2ncccc2CNC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649351828 420804047 /nfs/dbraw/zinc/80/40/47/420804047.db2.gz WFEJJSXTJYICQI-UHFFFAOYSA-N 2 0 333.436 -0.172 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@@H](CO)NC(=O)[C@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC000649473791 420809756 /nfs/dbraw/zinc/80/97/56/420809756.db2.gz INQPNFMSEMRWQA-KKUMJFAQSA-N 2 0 344.500 -0.248 20 0 EBADRP C[NH+](C)CCNC(=O)c1cc(S(=O)(=O)NCC[NH+](C)C)c[nH]1 ZINC000650076635 420822065 /nfs/dbraw/zinc/82/20/65/420822065.db2.gz RDTVCYSVYKMUAC-UHFFFAOYSA-N 2 0 331.442 -0.854 20 0 EBADRP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655909215 420857207 /nfs/dbraw/zinc/85/72/07/420857207.db2.gz COGCXPKRDQTIPV-UONOGXRCSA-N 2 0 347.423 -0.831 20 0 EBADRP O=C(NCC[N@@H+]1CCCOCC1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000655971717 420860151 /nfs/dbraw/zinc/86/01/51/420860151.db2.gz DYVKLLGDKUJOSB-CVEARBPZSA-N 2 0 340.468 -0.051 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656023192 420866034 /nfs/dbraw/zinc/86/60/34/420866034.db2.gz YDBGXFOGKKGEAE-FMSGJZPZSA-N 2 0 326.441 -0.546 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656024394 420867377 /nfs/dbraw/zinc/86/73/77/420867377.db2.gz LXZYQXWOULMREY-SEBNEYGDSA-N 2 0 340.468 -0.143 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656023508 420867549 /nfs/dbraw/zinc/86/75/49/420867549.db2.gz BYKVAIZQBXOSFE-BYNSBNAKSA-N 2 0 340.468 -0.141 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656040609 420869222 /nfs/dbraw/zinc/86/92/22/420869222.db2.gz MOOMROJGXDFXLT-XPABHHOTSA-N 2 0 340.468 -0.204 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656041295 420869604 /nfs/dbraw/zinc/86/96/04/420869604.db2.gz OZYGRRVVSLWLAP-XDQVBPFNSA-N 2 0 326.441 -0.579 20 0 EBADRP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@@H+]1C ZINC000656077348 420875971 /nfs/dbraw/zinc/87/59/71/420875971.db2.gz UEMZYMVEVONNFR-CBBWQLFWSA-N 2 0 338.452 -0.795 20 0 EBADRP O=C(N[C@H]1CC[NH+]2CCC[C@H]2C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656299429 420885068 /nfs/dbraw/zinc/88/50/68/420885068.db2.gz SPVBONCZHIGNDP-ZQDZILKHSA-N 2 0 336.436 -0.993 20 0 EBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656307670 420888196 /nfs/dbraw/zinc/88/81/96/420888196.db2.gz UZXKLHKUVVWDFE-UONOGXRCSA-N 2 0 326.441 -0.888 20 0 EBADRP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C[N@@H+]1C1CC1 ZINC000656334704 420892546 /nfs/dbraw/zinc/89/25/46/420892546.db2.gz SALXHIYFLBWLNM-NZBPQXDJSA-N 2 0 336.436 -0.995 20 0 EBADRP [NH3+]C1(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CCCC1 ZINC000659457360 420999548 /nfs/dbraw/zinc/99/95/48/420999548.db2.gz ZWXIOMROBWFECE-OAHLLOKOSA-N 2 0 339.484 -0.036 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659451716 420999637 /nfs/dbraw/zinc/99/96/37/420999637.db2.gz JRPKJQUPDQQGEF-LBPRGKRZSA-N 2 0 338.412 -0.449 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)NCCN2CC[NH2+]CC2)CCO1 ZINC000659508819 421001582 /nfs/dbraw/zinc/00/15/82/421001582.db2.gz YZSFOZOHHYOKMR-HNNXBMFYSA-N 2 0 327.473 -0.356 20 0 EBADRP [NH3+]CC12CC(C1)CN2C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000659537802 421003538 /nfs/dbraw/zinc/00/35/38/421003538.db2.gz IOMLSWLNAIMPJM-AKJDGMEZSA-N 2 0 335.374 -0.045 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000659549507 421003829 /nfs/dbraw/zinc/00/38/29/421003829.db2.gz LUEDOSCAOCNCTA-CYBMUJFWSA-N 2 0 329.445 -0.974 20 0 EBADRP CN1CCN(C(=O)NC[C@@H]2CC(=O)N(C(C)(C)C)C2)[C@H](C[NH3+])C1 ZINC000659607794 421005003 /nfs/dbraw/zinc/00/50/03/421005003.db2.gz FGKAJNXUCBNJER-QWHCGFSZSA-N 2 0 325.457 -0.082 20 0 EBADRP CN1CCN(C(=O)NCCN2C[C@@H]3CCCCN3C2=O)[C@@H](C[NH3+])C1 ZINC000659611477 421005157 /nfs/dbraw/zinc/00/51/57/421005157.db2.gz QXRXFUCKHLAEFJ-KBPBESRZSA-N 2 0 338.456 -0.439 20 0 EBADRP CN1CCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)[C@@H](C[NH3+])C1 ZINC000659609458 421005175 /nfs/dbraw/zinc/00/51/75/421005175.db2.gz WKSMCLCILXNNMY-GJZGRUSLSA-N 3 0 325.457 -0.476 20 0 EBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCC34CC(C3)C[NH2+]4)C2)CC1 ZINC000659681818 421013937 /nfs/dbraw/zinc/01/39/37/421013937.db2.gz ATBYFQLGNQEZJT-FVRSWCFKSA-N 2 0 349.479 -0.861 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000659690879 421015144 /nfs/dbraw/zinc/01/51/44/421015144.db2.gz YJAREOABDIBZJP-CYBMUJFWSA-N 2 0 333.436 -0.114 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000659689683 421015604 /nfs/dbraw/zinc/01/56/04/421015604.db2.gz HMJZRPSSNNFBSB-ZDUSSCGKSA-N 2 0 336.436 -0.033 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000659686032 421015735 /nfs/dbraw/zinc/01/57/35/421015735.db2.gz XQUJWWQVOYRTKD-UONOGXRCSA-N 2 0 327.473 -0.901 20 0 EBADRP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659712845 421018449 /nfs/dbraw/zinc/01/84/49/421018449.db2.gz GHKMDJXPGLIXQC-HOCLYGCPSA-N 2 0 347.463 -0.618 20 0 EBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000659722335 421020834 /nfs/dbraw/zinc/02/08/34/421020834.db2.gz DMXGTXROTGOSMW-STQMWFEESA-N 2 0 326.441 -0.530 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000662526591 421089794 /nfs/dbraw/zinc/08/97/94/421089794.db2.gz ATHDZXSNEGBVQR-GJZGRUSLSA-N 2 0 349.483 -0.133 20 0 EBADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C3(O)C[NH2+]C3)cc2)C1 ZINC000662708181 421096541 /nfs/dbraw/zinc/09/65/41/421096541.db2.gz QJLQJWUFZFDVOF-CYBMUJFWSA-N 2 0 332.404 -0.343 20 0 EBADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])cc1 ZINC000662724358 421097548 /nfs/dbraw/zinc/09/75/48/421097548.db2.gz OEIZDFVDNXSFRR-CVEARBPZSA-N 2 0 348.447 -0.042 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662907958 421107411 /nfs/dbraw/zinc/10/74/11/421107411.db2.gz RJYWYRCUPUHTSM-LSDHHAIUSA-N 2 0 347.467 -0.288 20 0 EBADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662907956 421108007 /nfs/dbraw/zinc/10/80/07/421108007.db2.gz RJYWYRCUPUHTSM-GJZGRUSLSA-N 2 0 347.467 -0.288 20 0 EBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC4CC3(C[NH3+])C4)CC2)C1 ZINC000662932002 421112451 /nfs/dbraw/zinc/11/24/51/421112451.db2.gz LPCMEEOYUMOGMI-CSLYMUCUSA-N 2 0 349.479 -0.826 20 0 EBADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000662940587 421115421 /nfs/dbraw/zinc/11/54/21/421115421.db2.gz XCRMTMCJCFFKNP-DGAVXFQQSA-N 2 0 326.416 -0.173 20 0 EBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000662949581 421115809 /nfs/dbraw/zinc/11/58/09/421115809.db2.gz CAHZYZVUHDCOSE-ZIAGYGMSSA-N 2 0 326.441 -0.624 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CCO1 ZINC000662949797 421116248 /nfs/dbraw/zinc/11/62/48/421116248.db2.gz YHJOHZQJRJITTB-KBPBESRZSA-N 2 0 326.441 -0.495 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CCO1 ZINC000662948724 421116503 /nfs/dbraw/zinc/11/65/03/421116503.db2.gz ZWYDUECUYSUCPP-CABCVRRESA-N 2 0 340.468 -0.105 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CCO1 ZINC000662972086 421118788 /nfs/dbraw/zinc/11/87/88/421118788.db2.gz HXVHMUGLYKORNE-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+](CCOCC[N@@H+](C)C[C@@H]1COCCO1)C[C@@H]1COCCO1 ZINC000661612900 421072331 /nfs/dbraw/zinc/07/23/31/421072331.db2.gz OWKZQBARFVQHTF-HZPDHXFCSA-N 2 0 332.441 -0.303 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000662325366 421082653 /nfs/dbraw/zinc/08/26/53/421082653.db2.gz MGDDQRCTJVCWHP-RRFJBIMHSA-N 2 0 330.448 -0.170 20 0 EBADRP CN(CCC[NH+](C)C)CCNC(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000664715908 421161121 /nfs/dbraw/zinc/16/11/21/421161121.db2.gz BQANZHJJKGGISZ-UHFFFAOYSA-N 2 0 349.501 -0.940 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCC2)n1 ZINC000446177428 421192326 /nfs/dbraw/zinc/19/23/26/421192326.db2.gz ODMJWAVWUOYYMA-UHFFFAOYSA-N 2 0 336.440 -0.016 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)n1 ZINC000341821741 421192540 /nfs/dbraw/zinc/19/25/40/421192540.db2.gz AZXKHANWRJROLO-KRWDZBQOSA-N 2 0 348.451 -0.063 20 0 EBADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000331732253 421197038 /nfs/dbraw/zinc/19/70/38/421197038.db2.gz RCEMTNKCKCPYAM-CQSZACIVSA-N 2 0 348.451 0.251 20 0 EBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419876452 264901295 /nfs/dbraw/zinc/90/12/95/264901295.db2.gz VQZQFTKNIMNGCB-UHFFFAOYSA-N 2 0 341.500 -0.556 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000423216625 264989644 /nfs/dbraw/zinc/98/96/44/264989644.db2.gz RZBRQJFFQDGPTO-RRFJBIMHSA-N 2 0 340.468 -0.249 20 0 EBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)C1 ZINC000423257501 264992688 /nfs/dbraw/zinc/99/26/88/264992688.db2.gz JSYQVJKPYDSQCL-CYBMUJFWSA-N 2 0 347.419 -0.441 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000423262427 264993307 /nfs/dbraw/zinc/99/33/07/264993307.db2.gz MLVNEJOEKAUNHQ-UHFFFAOYSA-N 2 0 340.468 -0.375 20 0 EBADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)C(C)C ZINC000423664073 265029935 /nfs/dbraw/zinc/02/99/35/265029935.db2.gz HMOSRWDPMFVORX-KBPBESRZSA-N 2 0 328.457 -0.645 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000423716743 265035475 /nfs/dbraw/zinc/03/54/75/265035475.db2.gz IXYMQAUGMYSWLX-LBPRGKRZSA-N 2 0 335.408 -0.456 20 0 EBADRP C[NH+]1CCN(c2ccc(NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)cn2)CC1 ZINC000423728323 265038350 /nfs/dbraw/zinc/03/83/50/265038350.db2.gz LOKMPQKMXXQKGY-CQSZACIVSA-N 2 0 346.435 -0.360 20 0 EBADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424046425 265047710 /nfs/dbraw/zinc/04/77/10/265047710.db2.gz QFXNPFWKDMGTED-JKSUJKDBSA-N 2 0 345.447 -0.207 20 0 EBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)C1 ZINC000424064321 265048619 /nfs/dbraw/zinc/04/86/19/265048619.db2.gz ZDIQRVAUGVXZNV-QWHCGFSZSA-N 2 0 348.451 -0.196 20 0 EBADRP COCC(C)(C)N1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000424490979 265066950 /nfs/dbraw/zinc/06/69/50/265066950.db2.gz BIJZBRVVEHVMMV-KBPBESRZSA-N 2 0 340.468 -0.236 20 0 EBADRP C[C@@H]1CC2(CN1C(=O)C(=O)NCCOCC[NH+](C)C)CC[NH2+]CC2 ZINC000424518389 265071736 /nfs/dbraw/zinc/07/17/36/265071736.db2.gz HTFUBWXGFNFPNX-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP CN(CC[NH+](C)C)C(=O)[C@H]1CC[C@@H](C(=O)N(C)CC[NH+](C)C)O1 ZINC000427245026 265103533 /nfs/dbraw/zinc/10/35/33/265103533.db2.gz YKSNMDYQDUIYPH-OKILXGFUSA-N 2 0 328.457 -0.426 20 0 EBADRP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCc1cccnc1 ZINC000430618480 265149811 /nfs/dbraw/zinc/14/98/11/265149811.db2.gz UQDDJPXSAGJVPO-INIZCTEOSA-N 2 0 345.447 -0.158 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430631073 265150640 /nfs/dbraw/zinc/15/06/40/265150640.db2.gz SYZJYQHNCGFJDC-OLZOCXBDSA-N 2 0 339.440 -0.636 20 0 EBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000430714149 265152034 /nfs/dbraw/zinc/15/20/34/265152034.db2.gz MUVROYUYIYSBEU-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430938012 265156025 /nfs/dbraw/zinc/15/60/25/265156025.db2.gz GJYLOOQTPVIXLB-LLVKDONJSA-N 2 0 326.422 -0.057 20 0 EBADRP C[NH+](C)C[C@@](C)(O)CNc1cncc(NC[C@](C)(O)C[NH+](C)C)n1 ZINC000439165079 265264551 /nfs/dbraw/zinc/26/45/51/265264551.db2.gz CIHBZXKGZMEXDO-HOTGVXAUSA-N 2 0 340.472 -0.074 20 0 EBADRP C[C@@H]1CN([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C[C@H](C)[N@H+]1CCO ZINC000448557810 265389699 /nfs/dbraw/zinc/38/96/99/265389699.db2.gz WGLHZLROFGYLRW-HZSPNIEDSA-N 2 0 326.441 -0.938 20 0 EBADRP C[C@@H](CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[NH+](C)C ZINC000455430143 265430521 /nfs/dbraw/zinc/43/05/21/265430521.db2.gz JKFNNDDNTSNDDW-AWEZNQCLSA-N 2 0 325.457 -0.114 20 0 EBADRP C[C@@H](NC(=O)[C@@H]([NH3+])C1CCOCC1)C(=O)NCC[NH+]1CCCCC1 ZINC000519824486 265645630 /nfs/dbraw/zinc/64/56/30/265645630.db2.gz KFTSKICDZZJYGX-HIFRSBDPSA-N 2 0 340.468 -0.153 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000525438242 265668005 /nfs/dbraw/zinc/66/80/05/265668005.db2.gz SWQAGLYBXOAGAC-HNNXBMFYSA-N 3 0 329.489 -0.158 20 0 EBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529338302 265703140 /nfs/dbraw/zinc/70/31/40/265703140.db2.gz MMHWXVYNNPUDQG-ZIAGYGMSSA-N 2 0 338.456 -0.663 20 0 EBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000419973012 272816445 /nfs/dbraw/zinc/81/64/45/272816445.db2.gz HDFWFEOKVZICMW-KGLIPLIRSA-N 2 0 328.457 -0.473 20 0 EBADRP O=C(NC[C@H]1COCC[NH2+]1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000529380614 272899201 /nfs/dbraw/zinc/89/92/01/272899201.db2.gz PDRKUSMSIPCOSJ-HNNXBMFYSA-N 2 0 326.441 -0.271 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000352086558 276020245 /nfs/dbraw/zinc/02/02/45/276020245.db2.gz DUQRNOLWEGMAEY-HIFRSBDPSA-N 2 0 327.473 -0.914 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339637400 289137106 /nfs/dbraw/zinc/13/71/06/289137106.db2.gz ZUAOIYORDXLBHB-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC2(CCO)CC[NH+](C)CC2)CC1=O ZINC000354144486 289157489 /nfs/dbraw/zinc/15/74/89/289157489.db2.gz SWEWISDYBMGUAR-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C2([NH3+])Cc3ccccc3C2)C1 ZINC000377130727 295234053 /nfs/dbraw/zinc/23/40/53/295234053.db2.gz YEADEZLHVZMUGZ-OAHLLOKOSA-N 2 0 330.432 -0.204 20 0 EBADRP O=C(CNC(=O)NCC[N@@H+]1CCc2ccccc2C1)N1CC[NH2+]CC1 ZINC000669288025 545649401 /nfs/dbraw/zinc/64/94/01/545649401.db2.gz MJRQNLBCAZMONP-UHFFFAOYSA-N 2 0 345.447 -0.224 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000668751040 545752592 /nfs/dbraw/zinc/75/25/92/545752592.db2.gz QCZYFBUCLWAVBE-OAHLLOKOSA-N 2 0 342.484 -0.083 20 0 EBADRP CCN(C(=O)C(=O)NCC[NH+](C)CCOC)[C@@H]1CC[N@H+](CC)C1 ZINC000668751562 545753462 /nfs/dbraw/zinc/75/34/62/545753462.db2.gz WTNGMPJFHWCREF-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000669228282 545827687 /nfs/dbraw/zinc/82/76/87/545827687.db2.gz LIDIRCRAFLNEKC-ZDUSSCGKSA-N 2 0 328.457 -0.330 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000671134755 545913667 /nfs/dbraw/zinc/91/36/67/545913667.db2.gz BJFJGDNXZWXCGT-CQSZACIVSA-N 2 0 342.484 -0.083 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000670435641 546007782 /nfs/dbraw/zinc/00/77/82/546007782.db2.gz PGLUKXSIUFHCLB-QLFBSQMISA-N 2 0 337.468 -0.957 20 0 EBADRP CC[N@H+](CCO)CCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666976663 546046695 /nfs/dbraw/zinc/04/66/95/546046695.db2.gz MXJSFHFZLJLJAS-HNNXBMFYSA-N 2 0 328.457 -0.147 20 0 EBADRP C[C@@H](NC(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC000672009167 546078405 /nfs/dbraw/zinc/07/84/05/546078405.db2.gz YXZIRVYJBDXDBP-UKRRQHHQSA-N 2 0 340.468 -0.378 20 0 EBADRP Cn1ccnc1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000672256251 546086048 /nfs/dbraw/zinc/08/60/48/546086048.db2.gz XXCFCTDWQTXBSU-AWEZNQCLSA-N 2 0 348.451 -0.725 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CCC[NH+](C)C2)CCCO1 ZINC000673427701 546139254 /nfs/dbraw/zinc/13/92/54/546139254.db2.gz KKFDOKMYSWGDQH-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CS(=O)(=O)N1CCN(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000677240799 546227448 /nfs/dbraw/zinc/22/74/48/546227448.db2.gz LOEOYHVKXCJILO-CABCVRRESA-N 2 0 330.498 -0.220 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cn1 ZINC000679371244 546270742 /nfs/dbraw/zinc/27/07/42/546270742.db2.gz SZUSRBZOAYDKPH-DZGCQCFKSA-N 2 0 348.451 -0.064 20 0 EBADRP C(=C\C[N@@H+]1CCN2CCOC[C@@H]2C1)\C[NH+]1CCN2CCOC[C@H]2C1 ZINC000680431086 546286491 /nfs/dbraw/zinc/28/64/91/546286491.db2.gz POWBFSMQTDWYCK-OEHAVNEVSA-N 2 0 336.480 -0.425 20 0 EBADRP OC[C@@H]1C[C@@H](O)C[NH+]1Cc1cccc(C[N@H+]2C[C@H](O)C[C@H]2CO)c1 ZINC000681167406 546300565 /nfs/dbraw/zinc/30/05/65/546300565.db2.gz MGSJSULRSZFLFV-WNRNVDISSA-N 2 0 336.432 -0.458 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)cn1 ZINC000682594905 546335501 /nfs/dbraw/zinc/33/55/01/546335501.db2.gz ZBHKZMDQMFBBDP-UHFFFAOYSA-N 2 0 334.424 -0.310 20 0 EBADRP NCC(F)(F)CNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892065174 582566836 /nfs/dbraw/zinc/56/68/36/582566836.db2.gz MQDTXGZGYAFNIH-ZDUSSCGKSA-N 2 0 349.426 -0.324 20 0 EBADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000516916787 582628599 /nfs/dbraw/zinc/62/85/99/582628599.db2.gz SUJLSVYJLHVQJB-GJZGRUSLSA-N 2 0 337.468 -0.066 20 0 EBADRP C[NH+](C)CC(=O)N1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000895629303 582652074 /nfs/dbraw/zinc/65/20/74/582652074.db2.gz QEALWTAGDCTITL-UHFFFAOYSA-N 2 0 338.452 -0.670 20 0 EBADRP CCO[C@@H](CNC(=O)N1CCN(C)CC[N@H+](C)CC1)C[NH+](C)C ZINC000896682578 582667961 /nfs/dbraw/zinc/66/79/61/582667961.db2.gz MRRBCOXFSJCVII-HNNXBMFYSA-N 2 0 329.489 -0.158 20 0 EBADRP CN1CC[NH+](C2CCN(C(=O)C3C[NH+]([C@H]4CCOC4)C3)CC2)CC1 ZINC000899178483 582746276 /nfs/dbraw/zinc/74/62/76/582746276.db2.gz CZJVVFLHFLMDNB-KRWDZBQOSA-N 2 0 336.480 -0.055 20 0 EBADRP CC(C)(O)[C@H](O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000900455962 582768944 /nfs/dbraw/zinc/76/89/44/582768944.db2.gz XMBBUDJOLONEBZ-OAHLLOKOSA-N 2 0 336.436 -0.158 20 0 EBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)N1C[C@H](C)O[C@@H](C)C1)C2 ZINC000903490959 582809206 /nfs/dbraw/zinc/80/92/06/582809206.db2.gz OSYAEUSBYJALRO-CGEFAEBTSA-N 2 0 339.436 -0.166 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@H]3CC[C@]32C[NH3+])CC1 ZINC000903586722 582812211 /nfs/dbraw/zinc/81/22/11/582812211.db2.gz VSPLFQFIRKBTGI-CABCVRRESA-N 2 0 330.498 -0.233 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)CC1 ZINC000903591774 582813717 /nfs/dbraw/zinc/81/37/17/582813717.db2.gz IAKNZAMUHAMDST-HNNXBMFYSA-N 2 0 330.498 -0.218 20 0 EBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000903741556 582816635 /nfs/dbraw/zinc/81/66/35/582816635.db2.gz GPZRDHYDCDLSCS-CQSZACIVSA-N 2 0 340.468 -0.249 20 0 EBADRP CS(=O)(=O)N1CCC[C@@H]1C[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903922974 582823641 /nfs/dbraw/zinc/82/36/41/582823641.db2.gz IPZBQCDSMSNMHC-CHWSQXEVSA-N 2 0 342.469 -0.284 20 0 EBADRP C[C@]12C[N@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C[C@@]1(C)C(=O)NC2=O ZINC000903934689 582823667 /nfs/dbraw/zinc/82/36/67/582823667.db2.gz ITNASPKYVRACKV-KNXALSJPSA-N 2 0 332.408 -0.313 20 0 EBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H]3COCCO3)C2)CC1 ZINC000734274965 582870508 /nfs/dbraw/zinc/87/05/08/582870508.db2.gz UYYPTTGETTUFJW-HIFRSBDPSA-N 2 0 326.441 -0.131 20 0 EBADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000838301521 583053484 /nfs/dbraw/zinc/05/34/84/583053484.db2.gz FCRAQDKWBBFHNP-BZUAXINKSA-N 2 0 340.468 -0.004 20 0 EBADRP C[NH+](C)CCNC(=S)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000764500992 583273195 /nfs/dbraw/zinc/27/31/95/583273195.db2.gz BBIDXINJIGFNEB-CYBMUJFWSA-N 2 0 327.498 -0.339 20 0 EBADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000774431146 583384514 /nfs/dbraw/zinc/38/45/14/583384514.db2.gz KDBAWUNLFPTNTC-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[NH+]1CCCCC1 ZINC000793714271 583568842 /nfs/dbraw/zinc/56/88/42/583568842.db2.gz CLQWXTJRBKCRIH-HUUCEWRRSA-N 2 0 339.484 -0.661 20 0 EBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804059231 583640803 /nfs/dbraw/zinc/64/08/03/583640803.db2.gz IFMIRZRNABDKMV-CABCVRRESA-N 2 0 338.452 -0.480 20 0 EBADRP OC[C@H]1CC[N@H+](CCCCCC[NH+]2CC[C@@H](CO)[C@@H](O)C2)C[C@@H]1O ZINC000808750918 583671809 /nfs/dbraw/zinc/67/18/09/583671809.db2.gz PCAWMVLILQCDSU-MHORFTMASA-N 2 0 344.496 -0.103 20 0 EBADRP O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000817996056 583733391 /nfs/dbraw/zinc/73/33/91/583733391.db2.gz SGLNJNBBHXGSOF-HIFRSBDPSA-N 2 0 329.404 -0.450 20 0 EBADRP CN(C[C@H](O)CNC(=O)C[NH+]1CCCC1)C(=O)C[NH+]1CCCC1 ZINC000823125678 583824809 /nfs/dbraw/zinc/82/48/09/583824809.db2.gz NUJJVJGMQHQCNQ-CQSZACIVSA-N 2 0 326.441 -0.887 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)COC1CC[NH+](C)CC1 ZINC000825224313 583856537 /nfs/dbraw/zinc/85/65/37/583856537.db2.gz VDDZKEKNAASJNY-UHFFFAOYSA-N 2 0 328.457 -0.424 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000827092702 583915287 /nfs/dbraw/zinc/91/52/87/583915287.db2.gz ONGLTDGMKUTJMN-AWEZNQCLSA-N 2 0 326.441 -0.447 20 0 EBADRP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000829256829 583951873 /nfs/dbraw/zinc/95/18/73/583951873.db2.gz BYGFWWBRBKKBMW-INIZCTEOSA-N 2 0 336.480 -0.053 20 0 EBADRP C[C@]1(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CCC[NH2+]C1 ZINC000842163957 584058617 /nfs/dbraw/zinc/05/86/17/584058617.db2.gz CRXMIPTXOXYTBX-KEYYUXOJSA-N 2 0 338.452 -0.528 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H](O)COc2cccc(F)c2)CC1 ZINC000843064650 584070776 /nfs/dbraw/zinc/07/07/76/584070776.db2.gz HQNAVWRTIODMAV-HZPDHXFCSA-N 2 0 341.427 -0.237 20 0 EBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000843317981 584075597 /nfs/dbraw/zinc/07/55/97/584075597.db2.gz VDFISPFTCIPOLX-HUUCEWRRSA-N 2 0 338.452 -0.575 20 0 EBADRP C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCO1 ZINC000843348017 584076560 /nfs/dbraw/zinc/07/65/60/584076560.db2.gz ZTCIANCTHYFTCN-LSDHHAIUSA-N 2 0 338.452 -0.623 20 0 EBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843472064 584079542 /nfs/dbraw/zinc/07/95/42/584079542.db2.gz SKPJJCIJSWXMJF-ZIAGYGMSSA-N 2 0 326.441 -0.399 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000844170625 584089264 /nfs/dbraw/zinc/08/92/64/584089264.db2.gz KJUXGOKEUSXGIL-ZBFHGGJFSA-N 2 0 340.468 -0.155 20 0 EBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000844181045 584090125 /nfs/dbraw/zinc/09/01/25/584090125.db2.gz NIUZGOJVXOISBD-OAHLLOKOSA-N 2 0 338.452 -0.478 20 0 EBADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C2=NO[C@H](C[NH3+])C2)cc1 ZINC000852866044 584217747 /nfs/dbraw/zinc/21/77/47/584217747.db2.gz CEUQEFFPILJGOH-AWEZNQCLSA-N 2 0 347.419 -0.302 20 0 EBADRP C[NH+]1CCC(NC(=S)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000863212273 584365097 /nfs/dbraw/zinc/36/50/97/584365097.db2.gz UNRCSAQJUWMLGM-ZDUSSCGKSA-N 2 0 327.498 -0.116 20 0 EBADRP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)CCOCC[NH3+])CC1 ZINC000863557899 584373553 /nfs/dbraw/zinc/37/35/53/584373553.db2.gz SNALPNRVZKNHIF-CYBMUJFWSA-N 2 0 330.429 -0.417 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000863757016 584376969 /nfs/dbraw/zinc/37/69/69/584376969.db2.gz RHJMMHANDMVPAE-KBPBESRZSA-N 2 0 325.457 -0.970 20 0 EBADRP O=C(CC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CCOCC1 ZINC000866710907 584404123 /nfs/dbraw/zinc/40/41/23/584404123.db2.gz XKCFQRZPRUEWKF-MJBXVCDLSA-N 2 0 338.408 -0.898 20 0 EBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000866763685 584405672 /nfs/dbraw/zinc/40/56/72/584405672.db2.gz HIEQKCGISPDZTN-HIFRSBDPSA-N 2 0 325.434 -0.219 20 0 EBADRP Cn1nccc1S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867590667 584412104 /nfs/dbraw/zinc/41/21/04/584412104.db2.gz QYQFCTOCNZQBCI-CHWSQXEVSA-N 2 0 329.470 -0.220 20 0 EBADRP C[NH+](C)C[C@@H](CO)NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000868345682 584425134 /nfs/dbraw/zinc/42/51/34/584425134.db2.gz NTPZQWBBTIURNG-RYUDHWBXSA-N 2 0 332.445 -0.520 20 0 EBADRP C[NH+]1CCC2(CCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)CC1 ZINC000868387334 584427081 /nfs/dbraw/zinc/42/70/81/584427081.db2.gz BBBBZINEAUVZJM-AWEZNQCLSA-N 2 0 338.452 -0.493 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)CN2CSCC2=O)C[C@H]1C[NH+](C)C ZINC000870024072 584443059 /nfs/dbraw/zinc/44/30/59/584443059.db2.gz JDIWCIAJZLJIAT-CHWSQXEVSA-N 2 0 328.482 -0.283 20 0 EBADRP O=C(CNC(=O)c1csc(C2CC[NH2+]CC2)n1)N1CC[NH2+]CC1 ZINC000870932354 584450097 /nfs/dbraw/zinc/45/00/97/584450097.db2.gz FCWCVGKXAOQJNE-UHFFFAOYSA-N 2 0 337.449 -0.228 20 0 EBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CC[C@H](C[NH+]3CCCC3)C1)C2 ZINC000872189950 584459029 /nfs/dbraw/zinc/45/90/29/584459029.db2.gz QJWSIRABIVWABS-RVKKMQEKSA-N 2 0 334.464 -0.001 20 0 EBADRP O=C(N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000872263783 584460659 /nfs/dbraw/zinc/46/06/59/584460659.db2.gz FTOVMHAXUJFCHC-TYNCELHUSA-N 2 0 326.372 -0.528 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)n1 ZINC000874171080 584479944 /nfs/dbraw/zinc/47/99/44/584479944.db2.gz BCXWHLQCDGOVRT-ZIAGYGMSSA-N 2 0 348.451 -0.064 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)n1 ZINC000874171078 584480010 /nfs/dbraw/zinc/48/00/10/584480010.db2.gz BCXWHLQCDGOVRT-KGLIPLIRSA-N 2 0 348.451 -0.064 20 0 EBADRP CC[NH+](CC)CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000874429586 584482478 /nfs/dbraw/zinc/48/24/78/584482478.db2.gz CTTOLKWUFKKKGI-MJBXVCDLSA-N 2 0 339.440 -0.095 20 0 EBADRP CN1CCN(C(=O)CCNC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000875068895 584488944 /nfs/dbraw/zinc/48/89/44/584488944.db2.gz QWDAXNXFQYLESE-LSDHHAIUSA-N 2 0 337.468 -0.114 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000875088155 584489373 /nfs/dbraw/zinc/48/93/73/584489373.db2.gz YKDGDXFMNJRIGU-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCN2CCCC2=O)C[C@H]1C[NH+](C)C ZINC000875696859 584504824 /nfs/dbraw/zinc/50/48/24/584504824.db2.gz TXEWFVCRPGKULB-HUUCEWRRSA-N 2 0 339.484 -0.010 20 0 EBADRP COC[C@]1(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)C[NH2+]CCO1 ZINC000876519967 584517918 /nfs/dbraw/zinc/51/79/18/584517918.db2.gz PYACHQWVRYNHMZ-INIZCTEOSA-N 2 0 335.408 -0.565 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876752777 584522002 /nfs/dbraw/zinc/52/20/02/584522002.db2.gz YNBLSYNUPYJGEL-HIFRSBDPSA-N 2 0 328.432 -0.053 20 0 EBADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000876769581 584523224 /nfs/dbraw/zinc/52/32/24/584523224.db2.gz UMXKZRHHWHBYHL-YEDUIURYSA-N 2 0 336.480 -0.079 20 0 EBADRP C[NH+](C)C[C@H](N)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000876778106 584523713 /nfs/dbraw/zinc/52/37/13/584523713.db2.gz WMXAZIIZMYEZCQ-AWEZNQCLSA-N 2 0 341.500 -0.382 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)CO[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH+](C)C ZINC000877143205 584529233 /nfs/dbraw/zinc/52/92/33/584529233.db2.gz HWMGTHFNDGHTLW-BZUAXINKSA-N 3 0 326.485 -0.047 20 0 EBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)CO[C@@H]3CCC[NH2+]C3)CC2)C1=O ZINC000877146183 584529438 /nfs/dbraw/zinc/52/94/38/584529438.db2.gz PTSMMFQLDHEKNJ-CABCVRRESA-N 2 0 338.452 -0.434 20 0 EBADRP OC[C@H]1C[N@H+](C[C@H](C[NH+]2C[C@H](O)[C@H](CO)C2)C2CCCC2)C[C@@H]1O ZINC000878702591 584543931 /nfs/dbraw/zinc/54/39/31/584543931.db2.gz ICSLNYMOOLSNJY-JCECYMMASA-N 2 0 342.480 -0.637 20 0 EBADRP O=C(C(=O)N1CC[NH2+]CCC12CCC2)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000883660635 584605345 /nfs/dbraw/zinc/60/53/45/584605345.db2.gz QFUYSVJRBGNIOR-UONOGXRCSA-N 2 0 336.436 -0.992 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884413662 584622933 /nfs/dbraw/zinc/62/29/33/584622933.db2.gz ZKODDAWGSOEOLR-MRXNPFEDSA-N 2 0 344.463 -0.389 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[C@H]1C[NH3+] ZINC000884508076 584625038 /nfs/dbraw/zinc/62/50/38/584625038.db2.gz TZEWCPOYSKNTLW-ZIAGYGMSSA-N 2 0 339.484 -0.818 20 0 EBADRP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000884598354 584628889 /nfs/dbraw/zinc/62/88/89/584628889.db2.gz YXZJMBCOYRLVNX-OAHLLOKOSA-N 2 0 340.468 -0.055 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884587465 584628976 /nfs/dbraw/zinc/62/89/76/584628976.db2.gz JJVIQIAULSTBMT-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC000884587982 584629027 /nfs/dbraw/zinc/62/90/27/584629027.db2.gz VLNYFJGWQPCSKX-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP CCN(C(=O)C(=O)NC1CC[NH+](CCCOC)CC1)[C@@H]1CC[NH2+]C1 ZINC000884603661 584629250 /nfs/dbraw/zinc/62/92/50/584629250.db2.gz OLNWNBXFUQXCJW-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000884598379 584629386 /nfs/dbraw/zinc/62/93/86/584629386.db2.gz ZQEHLSZINYLPKA-OAHLLOKOSA-N 2 0 340.468 -0.185 20 0 EBADRP CCN(C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@@H]1CC[NH2+]C1 ZINC000884612326 584629971 /nfs/dbraw/zinc/62/99/71/584629971.db2.gz JKSBCTGJQPTGRC-IUODEOHRSA-N 2 0 328.482 -0.250 20 0 EBADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000884627619 584630359 /nfs/dbraw/zinc/63/03/59/584630359.db2.gz WNAOUVRMCSLORU-VXGBXAGGSA-N 2 0 344.406 -0.052 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884637651 584630566 /nfs/dbraw/zinc/63/05/66/584630566.db2.gz WJDXSGNIQVWYDR-CQSZACIVSA-N 2 0 342.484 -0.035 20 0 EBADRP CCC1([NH3+])CCN(C(=O)C(=O)NCCC[N@H+](C)CCOC)CC1 ZINC000884637597 584630673 /nfs/dbraw/zinc/63/06/73/584630673.db2.gz UCZRRUNKLHBEJV-UHFFFAOYSA-N 2 0 328.457 -0.199 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000884669762 584632588 /nfs/dbraw/zinc/63/25/88/584632588.db2.gz GFNMAIXNSDWKQE-ILXRZTDVSA-N 2 0 339.484 -0.676 20 0 EBADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000884725189 584636419 /nfs/dbraw/zinc/63/64/19/584636419.db2.gz AJXVUGLZYMCSER-MFOWVQHXSA-N 2 0 326.441 -0.530 20 0 EBADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000884726654 584636561 /nfs/dbraw/zinc/63/65/61/584636561.db2.gz YXIVTSUYPQVZFQ-HNNXBMFYSA-N 2 0 340.468 -0.185 20 0 EBADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)C2)cc1 ZINC000884982489 584642075 /nfs/dbraw/zinc/64/20/75/584642075.db2.gz CLSWZGCZCLKRBU-INIZCTEOSA-N 2 0 348.447 -0.535 20 0 EBADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000887064980 584674312 /nfs/dbraw/zinc/67/43/12/584674312.db2.gz SQEQPXBOKSSDSJ-UHFFFAOYSA-N 2 0 340.468 -0.103 20 0 EBADRP CCN(C(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)[C@H]1CC[NH2+]C1 ZINC000887069141 584675240 /nfs/dbraw/zinc/67/52/40/584675240.db2.gz YPYYUZAMWZPINC-HNNXBMFYSA-N 2 0 340.468 -0.498 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)C1 ZINC000887620879 584679572 /nfs/dbraw/zinc/67/95/72/584679572.db2.gz UIZHUYGIYWIYMA-GFCCVEGCSA-N 2 0 331.424 -0.069 20 0 EBADRP C[NH+](C)CCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000890137110 584692517 /nfs/dbraw/zinc/69/25/17/584692517.db2.gz ABTVQOUSQMNPQD-HNNXBMFYSA-N 2 0 327.473 -0.356 20 0 EBADRP C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N(C)CC[NH+](C)C ZINC000410937036 584702480 /nfs/dbraw/zinc/70/24/80/584702480.db2.gz JOHGJACCLJEMDR-CYBMUJFWSA-N 2 0 328.457 -0.690 20 0 EBADRP C[NH2+][C@@H](C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)c1cnn(C)c1 ZINC000517234398 650012166 /nfs/dbraw/zinc/01/21/66/650012166.db2.gz FKMJRYOKDUJPFZ-DZGCQCFKSA-N 2 0 348.451 -0.649 20 0 EBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000904968607 650052993 /nfs/dbraw/zinc/05/29/93/650052993.db2.gz OCGCHPVMLMOPNA-INIZCTEOSA-N 2 0 328.457 -0.655 20 0 EBADRP CN(C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)C1(C[NH3+])CCOCC1 ZINC000904979328 650054082 /nfs/dbraw/zinc/05/40/82/650054082.db2.gz HKZOTYCMCSXGRW-KBPBESRZSA-N 2 0 338.452 -0.495 20 0 EBADRP C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000904989056 650055823 /nfs/dbraw/zinc/05/58/23/650055823.db2.gz YCPKPYPBKZALGI-JJRVBVJISA-N 2 0 338.452 -0.759 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000904992422 650056120 /nfs/dbraw/zinc/05/61/20/650056120.db2.gz AOPDSOJEHIKVND-JJRVBVJISA-N 2 0 338.452 -0.767 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000904999132 650057983 /nfs/dbraw/zinc/05/79/83/650057983.db2.gz XOEQGZRXCZXKGP-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000905017171 650059833 /nfs/dbraw/zinc/05/98/33/650059833.db2.gz TWGPZWQWHUSDPV-HUUCEWRRSA-N 2 0 338.452 -0.480 20 0 EBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2COC)C1 ZINC000905015732 650059838 /nfs/dbraw/zinc/05/98/38/650059838.db2.gz QICUQMVSXAIBAU-UONOGXRCSA-N 2 0 326.441 -0.624 20 0 EBADRP C[NH+]1CCC(C[NH2+]C[C@H](O)C2(O)CCC2)(N2CCOCC2)CC1 ZINC000905286924 650062500 /nfs/dbraw/zinc/06/25/00/650062500.db2.gz USEMQBOIGIJNRT-HNNXBMFYSA-N 2 0 327.469 -0.352 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000905475163 650063675 /nfs/dbraw/zinc/06/36/75/650063675.db2.gz SBONHLIHMDZNBZ-SJORKVTESA-N 2 0 325.428 -0.073 20 0 EBADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCC3([NH3+])CC3)c2)CC1 ZINC000906696682 650070028 /nfs/dbraw/zinc/07/00/28/650070028.db2.gz GDNLXSIUANXFPG-UHFFFAOYSA-N 2 0 345.447 -0.020 20 0 EBADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C1CN(C)CC[NH+](C)C1 ZINC000906676826 650070283 /nfs/dbraw/zinc/07/02/83/650070283.db2.gz HCXBXIIJDBUCTE-UHFFFAOYSA-N 2 0 339.528 -0.036 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)cn1 ZINC000906765726 650071285 /nfs/dbraw/zinc/07/12/85/650071285.db2.gz PLQVNMKYYMSBBK-MRXNPFEDSA-N 2 0 334.424 -0.262 20 0 EBADRP COC(=O)[C@H]1CN(C(=O)C2CN(C)CC[NH+](C)C2)CC[N@H+](C)C1 ZINC000910412796 650110740 /nfs/dbraw/zinc/11/07/40/650110740.db2.gz DEWZOLDGIAFDRK-CQSZACIVSA-N 2 0 326.441 -0.957 20 0 EBADRP CCN1CC[C@H]1CNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000910539438 650112122 /nfs/dbraw/zinc/11/21/22/650112122.db2.gz GDYPRKYAPSMELU-LSDHHAIUSA-N 2 0 338.452 -0.480 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000910920972 650140142 /nfs/dbraw/zinc/14/01/42/650140142.db2.gz BTHSQKOHVBMJHF-LSDHHAIUSA-N 2 0 340.468 -0.546 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000910946810 650141599 /nfs/dbraw/zinc/14/15/99/650141599.db2.gz PRLDVPAWTSTJAK-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000910994760 650144034 /nfs/dbraw/zinc/14/40/34/650144034.db2.gz ZDDMPDNYHISURJ-RBSFLKMASA-N 2 0 340.468 -0.487 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000911004123 650144739 /nfs/dbraw/zinc/14/47/39/650144739.db2.gz NBYRUOTXHISKOK-UONOGXRCSA-N 2 0 340.468 -0.343 20 0 EBADRP CC[NH+]1CCC(CNC(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC000911004017 650144777 /nfs/dbraw/zinc/14/47/77/650144777.db2.gz MHRQOMDEINOKRY-UHFFFAOYSA-N 2 0 339.484 -0.626 20 0 EBADRP CCC[NH+]1CCC(CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2COC)CC1 ZINC000911003336 650144864 /nfs/dbraw/zinc/14/48/64/650144864.db2.gz JFBXRIPLPOQZHE-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000911015264 650145735 /nfs/dbraw/zinc/14/57/35/650145735.db2.gz NPIYQKQQGMBRMP-OAHLLOKOSA-N 2 0 345.403 -0.213 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000911013931 650145814 /nfs/dbraw/zinc/14/58/14/650145814.db2.gz FPEHMVPWCIUHIF-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000911031402 650147025 /nfs/dbraw/zinc/14/70/25/650147025.db2.gz QKOIYIYHNNYMKP-WMLDXEAASA-N 2 0 337.468 -0.907 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H]1[NH3+] ZINC000911034357 650147694 /nfs/dbraw/zinc/14/76/94/650147694.db2.gz NBLYZZBHQAPZCC-VNHYZAJKSA-N 2 0 337.468 -0.923 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000911092169 650150613 /nfs/dbraw/zinc/15/06/13/650150613.db2.gz QRLRZAUFLQCRSB-LSDHHAIUSA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)NCC2([NH3+])CC2)c1 ZINC000911101655 650151679 /nfs/dbraw/zinc/15/16/79/650151679.db2.gz LJIXAZITPDWHRP-UHFFFAOYSA-N 2 0 334.420 -0.149 20 0 EBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000911148444 650154427 /nfs/dbraw/zinc/15/44/27/650154427.db2.gz OILIPVQMGOISRT-ZNMIVQPWSA-N 2 0 338.452 -0.434 20 0 EBADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)NC[C@H]1C[N@@H+]3CCC[C@@H]3CO1)C2 ZINC000911149576 650154821 /nfs/dbraw/zinc/15/48/21/650154821.db2.gz XWQCPTIAQPBESH-QRTUWBSPSA-N 2 0 336.436 -0.696 20 0 EBADRP C[C@@H](NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])[C@@H]1CN(C)CCO1 ZINC000911161346 650155798 /nfs/dbraw/zinc/15/57/98/650155798.db2.gz IIEOTEWHRZGEBQ-BQDHKBFISA-N 2 0 346.431 -0.437 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000911162938 650156427 /nfs/dbraw/zinc/15/64/27/650156427.db2.gz ULJWGKHHXRNNGQ-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911177538 650157051 /nfs/dbraw/zinc/15/70/51/650157051.db2.gz URYGAMDILQZCDJ-MRXNPFEDSA-N 2 0 326.441 -0.575 20 0 EBADRP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000911187336 650157563 /nfs/dbraw/zinc/15/75/63/650157563.db2.gz RYCOXCIBIHQCQB-RHSMWYFYSA-N 2 0 338.452 -0.445 20 0 EBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911188769 650157613 /nfs/dbraw/zinc/15/76/13/650157613.db2.gz WSAYONPWNZHJKC-CYBMUJFWSA-N 2 0 327.473 -0.628 20 0 EBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911188851 650158076 /nfs/dbraw/zinc/15/80/76/650158076.db2.gz ZRZCOPPKJTVADK-QGZVFWFLSA-N 2 0 338.452 -0.431 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911196433 650158873 /nfs/dbraw/zinc/15/88/73/650158873.db2.gz XPWXMQNIEAEUPU-RHSMWYFYSA-N 2 0 338.452 -0.432 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[C@@H]3CC[C@]32C[NH3+])CCSC1 ZINC000911199070 650158983 /nfs/dbraw/zinc/15/89/83/650158983.db2.gz JUSQNYYIXYYRRM-RCBQFDQVSA-N 2 0 340.493 -0.120 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCSC1 ZINC000911200585 650158987 /nfs/dbraw/zinc/15/89/87/650158987.db2.gz QBMREAJDFWNNPO-ZAZJYDDPSA-N 2 0 326.466 -0.451 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CCSC1 ZINC000911199644 650159086 /nfs/dbraw/zinc/15/90/86/650159086.db2.gz LQBLBWZRVVECIZ-TYNCELHUSA-N 2 0 328.482 -0.217 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000911202457 650159559 /nfs/dbraw/zinc/15/95/59/650159559.db2.gz VWJPRIIKCKQUDR-KBPBESRZSA-N 2 0 342.484 -0.084 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000911206134 650159688 /nfs/dbraw/zinc/15/96/88/650159688.db2.gz PNVHUNVSZXGFBH-TZMCWYRMSA-N 2 0 326.441 -0.578 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)[N@H+](C)C1CC1 ZINC000911204349 650159722 /nfs/dbraw/zinc/15/97/22/650159722.db2.gz BGBBYSUQZUFOTR-FBIMIBRVSA-N 2 0 336.358 -0.067 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911236813 650161876 /nfs/dbraw/zinc/16/18/76/650161876.db2.gz SCFVKXZDEFWRIS-MGPQQGTHSA-N 2 0 326.441 -0.815 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1COC ZINC000911211304 650160449 /nfs/dbraw/zinc/16/04/49/650160449.db2.gz UPKVMOSDWLAIHS-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)NCC2([NH3+])CC2)cc1 ZINC000911219492 650160921 /nfs/dbraw/zinc/16/09/21/650160921.db2.gz ZLDOIMYLNSFFNX-UHFFFAOYSA-N 2 0 348.447 -0.107 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000911231552 650161230 /nfs/dbraw/zinc/16/12/30/650161230.db2.gz OFJCODYXCGEOHF-WMLDXEAASA-N 2 0 340.468 -0.199 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000911162900 650156058 /nfs/dbraw/zinc/15/60/58/650156058.db2.gz SJDHZTBHEZTULW-DKUMPPAJSA-N 2 0 338.452 -0.435 20 0 EBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000911256425 650163440 /nfs/dbraw/zinc/16/34/40/650163440.db2.gz XNLBZVXXLKALSX-TZMCWYRMSA-N 2 0 340.468 -0.202 20 0 EBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)c1ccccc1 ZINC000911266915 650164686 /nfs/dbraw/zinc/16/46/86/650164686.db2.gz KAYSHBCMDRQNSQ-MAUKXSAKSA-N 2 0 348.447 -0.282 20 0 EBADRP O=C(NCC1CC[NH2+]CC1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000911268459 650164702 /nfs/dbraw/zinc/16/47/02/650164702.db2.gz WJTKWWGSKMOPSJ-HUUCEWRRSA-N 2 0 338.452 -0.840 20 0 EBADRP C[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C)C[NH+]1CCN(C)CC1 ZINC000911270503 650164924 /nfs/dbraw/zinc/16/49/24/650164924.db2.gz XXQPYQAZAJRULK-KGLIPLIRSA-N 2 0 339.484 -0.900 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000911270535 650164929 /nfs/dbraw/zinc/16/49/29/650164929.db2.gz YJFHUKLDECHGHE-RRFJBIMHSA-N 2 0 339.484 -0.818 20 0 EBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000911282507 650166172 /nfs/dbraw/zinc/16/61/72/650166172.db2.gz UDRVIZNXBOQXMJ-CBBWQLFWSA-N 2 0 338.452 -0.570 20 0 EBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000911282511 650166482 /nfs/dbraw/zinc/16/64/82/650166482.db2.gz UDRVIZNXBOQXMJ-QPSCCSFWSA-N 2 0 338.452 -0.570 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])C1 ZINC000911242679 650162238 /nfs/dbraw/zinc/16/22/38/650162238.db2.gz RQBBWLAYGAVDLG-JKIFEVAISA-N 2 0 338.452 -0.447 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911307620 650169142 /nfs/dbraw/zinc/16/91/42/650169142.db2.gz WWTLSFPAQLQFIS-HZSPNIEDSA-N 2 0 326.441 -0.842 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911309482 650169568 /nfs/dbraw/zinc/16/95/68/650169568.db2.gz SOZABVYARMOXNG-BARDWOONSA-N 2 0 338.452 -0.842 20 0 EBADRP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCNCC[NH2+]CC1 ZINC000911324348 650171108 /nfs/dbraw/zinc/17/11/08/650171108.db2.gz ARUNREMMZXTAOU-GJZGRUSLSA-N 2 0 337.468 -0.859 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911346065 650173495 /nfs/dbraw/zinc/17/34/95/650173495.db2.gz NNGDCRHLQFENOY-GBJTYRQASA-N 2 0 338.452 -0.699 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000911367895 650175728 /nfs/dbraw/zinc/17/57/28/650175728.db2.gz SVAQDOWVZLIAJD-UMVBOHGHSA-N 2 0 331.420 -0.157 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000911368409 650175874 /nfs/dbraw/zinc/17/58/74/650175874.db2.gz YQSZTELCFXURNW-VNHYZAJKSA-N 2 0 331.420 -0.157 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000911384187 650177909 /nfs/dbraw/zinc/17/79/09/650177909.db2.gz XPPBAAOYCYWAHH-QLFBSQMISA-N 2 0 340.468 -0.473 20 0 EBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC000911415699 650180674 /nfs/dbraw/zinc/18/06/74/650180674.db2.gz ZYLPOWQGILQWGS-UHFFFAOYSA-N 2 0 325.457 -0.920 20 0 EBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911414815 650180820 /nfs/dbraw/zinc/18/08/20/650180820.db2.gz QNMRYSBYTPIHBV-HNNXBMFYSA-N 2 0 339.484 -0.533 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1)C[NH+](C)C ZINC000911433613 650183014 /nfs/dbraw/zinc/18/30/14/650183014.db2.gz BKXZSFYAQUPKTA-KBPBESRZSA-N 2 0 328.457 -0.473 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C[NH+](C)C ZINC000911433976 650183436 /nfs/dbraw/zinc/18/34/36/650183436.db2.gz GIIUIXCZPSTWOQ-RDBSUJKOSA-N 2 0 326.441 -0.578 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1)C[NH+](C)C ZINC000911435317 650183477 /nfs/dbraw/zinc/18/34/77/650183477.db2.gz LMDNYSOQFQMIIF-MCIONIFRSA-N 2 0 328.457 -0.345 20 0 EBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000911490806 650187999 /nfs/dbraw/zinc/18/79/99/650187999.db2.gz UTICOOPTBHJPSL-LJISPDSOSA-N 2 0 338.452 -0.712 20 0 EBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911506590 650188974 /nfs/dbraw/zinc/18/89/74/650188974.db2.gz PCUUCYOJMKJPIY-UHFFFAOYSA-N 2 0 338.452 -0.303 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911541003 650192066 /nfs/dbraw/zinc/19/20/66/650192066.db2.gz DGGGULZXJKHJDG-GBJTYRQASA-N 2 0 338.452 -0.435 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911559208 650193543 /nfs/dbraw/zinc/19/35/43/650193543.db2.gz CGUIPDJNJUMHGJ-KKUMJFAQSA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911528446 650190608 /nfs/dbraw/zinc/19/06/08/650190608.db2.gz ONQFJTXMJGASDO-KGLIPLIRSA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000911729133 650196289 /nfs/dbraw/zinc/19/62/89/650196289.db2.gz BJVAABNPJSDPGD-CYBMUJFWSA-N 2 0 326.441 -0.589 20 0 EBADRP C/C(=C/C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)CN1CCOCC1 ZINC000912991312 650216874 /nfs/dbraw/zinc/21/68/74/650216874.db2.gz AETOJPMFKDMZTA-ZSMUJPCHSA-N 2 0 338.452 -0.279 20 0 EBADRP O=C(NC12CC[NH+](CC1)C2)[C@@H]1CC[C@@H]1C(=O)NC12CC[NH+](CC1)C2 ZINC000913638028 650242246 /nfs/dbraw/zinc/24/22/46/650242246.db2.gz RJDURDTWVVVJMK-OKILXGFUSA-N 2 0 332.448 -0.059 20 0 EBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000917677570 650284084 /nfs/dbraw/zinc/28/40/84/650284084.db2.gz MYHJWPSMDUFISJ-AWEZNQCLSA-N 2 0 325.457 -0.068 20 0 EBADRP CC[NH+]1CC[C@H]1CNC(=O)CC(O)CC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000922159338 650329860 /nfs/dbraw/zinc/32/98/60/650329860.db2.gz PJLVOKQJQRSHOV-KBPBESRZSA-N 2 0 340.468 -0.452 20 0 EBADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000923343684 650338051 /nfs/dbraw/zinc/33/80/51/650338051.db2.gz FGMXXYPXFOXSTE-JYJNAYRXSA-N 2 0 343.468 -0.138 20 0 EBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COC[C@@H]2CCCO2)C1 ZINC000923282590 650337560 /nfs/dbraw/zinc/33/75/60/650337560.db2.gz WARBKWVVBNCISF-KFWWJZLASA-N 2 0 329.441 -0.670 20 0 EBADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000923398750 650338718 /nfs/dbraw/zinc/33/87/18/650338718.db2.gz LUEUCMWDVOPQBI-KFWWJZLASA-N 2 0 335.408 -0.499 20 0 EBADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923416535 650339425 /nfs/dbraw/zinc/33/94/25/650339425.db2.gz YOGMOVMRUAHJGV-YJNKXOJESA-N 2 0 327.425 -0.113 20 0 EBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@H](O)COC[C@@H]1CCCO1)C2 ZINC000923428529 650339980 /nfs/dbraw/zinc/33/99/80/650339980.db2.gz IJHGHJKLTFDTQD-PFFSRIRZSA-N 2 0 342.436 -0.245 20 0 EBADRP O=C([C@@H]1CCCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000923565855 650343280 /nfs/dbraw/zinc/34/32/80/650343280.db2.gz GVGDQGMAXXWIQJ-KGLIPLIRSA-N 2 0 344.481 -0.788 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000923606554 650346492 /nfs/dbraw/zinc/34/64/92/650346492.db2.gz YTGPVLMPCXWYNN-AWEZNQCLSA-N 2 0 344.481 -0.692 20 0 EBADRP C[NH+]1CCN(C[C@H]2CN(S(=O)(=O)[C@H]3CCC[NH2+]C3)CCO2)CC1 ZINC000923608168 650347422 /nfs/dbraw/zinc/34/74/22/650347422.db2.gz OECFDRUOTMWSKT-GJZGRUSLSA-N 2 0 346.497 -0.984 20 0 EBADRP O=S(=O)(NCc1ccncc1O[C@H]1CC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC000923669939 650352387 /nfs/dbraw/zinc/35/23/87/650352387.db2.gz MCDPTZUKLSSYSN-KBPBESRZSA-N 2 0 340.449 -0.006 20 0 EBADRP COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923663103 650351462 /nfs/dbraw/zinc/35/14/62/650351462.db2.gz WLHLHGRHWPONCA-UHFFFAOYSA-N 2 0 334.486 -0.573 20 0 EBADRP O=S(=O)(NCc1ccncc1O[C@H]1CC[NH2+]C1)N1CC[NH2+]CC1 ZINC000923669561 650352122 /nfs/dbraw/zinc/35/21/22/650352122.db2.gz GZGOQHAIIAQPRZ-ZDUSSCGKSA-N 2 0 341.437 -0.938 20 0 EBADRP CC[NH+]1CCN(C[C@H](C)CN2C(=O)N[C@H](C[NH+](C)C)C2=O)CC1 ZINC000924493821 650363920 /nfs/dbraw/zinc/36/39/20/650363920.db2.gz ZZVGXGMFPSWBRK-UONOGXRCSA-N 2 0 325.457 -0.258 20 0 EBADRP C[NH+](C)C[C@H]1NC(=O)N(Cc2cccnc2N2CC[NH+](C)CC2)C1=O ZINC000924538702 650364510 /nfs/dbraw/zinc/36/45/10/650364510.db2.gz LYLAVPMZMXFMCR-CQSZACIVSA-N 2 0 346.435 -0.185 20 0 EBADRP C[NH+](C)C[C@H]1NC(=O)N(CCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1=O ZINC000924562441 650365110 /nfs/dbraw/zinc/36/51/10/650365110.db2.gz ZESIUZZYEQZTCY-NWDGAFQWSA-N 2 0 325.413 -0.944 20 0 EBADRP C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1N=NC(=O)N1C ZINC000926140803 650383672 /nfs/dbraw/zinc/38/36/72/650383672.db2.gz JEKQTJQOZKVNCY-LLVKDONJSA-N 2 0 327.433 -0.284 20 0 EBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000926299028 650384893 /nfs/dbraw/zinc/38/48/93/650384893.db2.gz OSWNGILPMHAEOS-XJKSGUPXSA-N 2 0 326.441 -0.759 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C[C@H]1C ZINC000926342518 650387631 /nfs/dbraw/zinc/38/76/31/650387631.db2.gz AGBGJJWGNMJWHP-JKIFEVAISA-N 2 0 340.468 -0.370 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926332050 650386637 /nfs/dbraw/zinc/38/66/37/650386637.db2.gz HPALVMKOTKQDEL-QGZVFWFLSA-N 2 0 340.468 -0.232 20 0 EBADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926333889 650386732 /nfs/dbraw/zinc/38/67/32/650386732.db2.gz PXLZIYULEGQNJO-INIZCTEOSA-N 2 0 326.441 -0.901 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCNCC[NH2+]CC2)[C@@H](C)C1 ZINC000926347934 650388118 /nfs/dbraw/zinc/38/81/18/650388118.db2.gz PABOELSQPNPCDL-GJZGRUSLSA-N 2 0 339.484 -0.804 20 0 EBADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000926349167 650388450 /nfs/dbraw/zinc/38/84/50/650388450.db2.gz YULIHIUWHXHJBS-UHFFFAOYSA-N 2 0 337.468 -0.905 20 0 EBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927638964 651505722 /nfs/dbraw/zinc/50/57/22/651505722.db2.gz FZNPCHLHSMURCS-GDBMZVCRSA-N 2 0 328.457 -0.149 20 0 EBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927638966 651506150 /nfs/dbraw/zinc/50/61/50/651506150.db2.gz FZNPCHLHSMURCS-HOCLYGCPSA-N 2 0 328.457 -0.149 20 0 EBADRP C[NH+]1CCC(O)(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000927642738 651506194 /nfs/dbraw/zinc/50/61/94/651506194.db2.gz QLGUNYUQSBKLMN-OAHLLOKOSA-N 2 0 340.468 -0.004 20 0 EBADRP C[C@@H]1[C@H](NC(=O)COCC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1C ZINC000928448273 651521452 /nfs/dbraw/zinc/52/14/52/651521452.db2.gz NODZUBNVHPWPNQ-AAVRWANBSA-N 2 0 326.441 -0.579 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2cc(N(C)C)cc[nH+]2)C1 ZINC000930008293 651577640 /nfs/dbraw/zinc/57/76/40/651577640.db2.gz BUNGIIMWKRFSKQ-CYBMUJFWSA-N 2 0 349.435 -0.399 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)C[NH+](C)C ZINC000930145888 651585638 /nfs/dbraw/zinc/58/56/38/651585638.db2.gz NUEZRASTINJRDQ-BFHYXJOUSA-N 2 0 328.457 -0.332 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1)C[NH+](C)C ZINC000930828697 651613033 /nfs/dbraw/zinc/61/30/33/651613033.db2.gz SDECHKDPYCAXEP-HUUCEWRRSA-N 2 0 342.484 -0.083 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC)C1)C[NH+](C)C ZINC000932469067 651683144 /nfs/dbraw/zinc/68/31/44/651683144.db2.gz SQXMCDINGSULST-HUUCEWRRSA-N 2 0 342.484 -0.131 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2CCN(C3C[NH+](C[C@@H](C)O)C3)CC2)CC[N@@H+]1C ZINC000941414101 652723888 /nfs/dbraw/zinc/72/38/88/652723888.db2.gz NMFDNVKKGUAZJM-HYVNUMGLSA-N 2 0 338.496 -0.074 20 0 EBADRP CN1CC[C@@H]([NH2+]CC2(O)CCN(C(=O)C[NH+]3CCCC3)CC2)C1=O ZINC000946933017 653277335 /nfs/dbraw/zinc/27/73/35/653277335.db2.gz QJQYTIDGMZQYMM-CQSZACIVSA-N 2 0 338.452 -0.744 20 0 EBADRP Cc1nccn1CC(=O)N1CC[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000941275588 653480458 /nfs/dbraw/zinc/48/04/58/653480458.db2.gz BVZJAYMCSVDJQQ-BPLDGKMQSA-N 2 0 349.435 -0.372 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC3(C2)CC([NH2+]CCN2CCNC2=O)C3)C1 ZINC000965916221 724539617 /nfs/dbraw/zinc/53/96/17/724539617.db2.gz SLUINQILGFJGFC-OQDWRCPYSA-N 2 0 349.479 -0.020 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2c3ccccc3OC[C@H]2CO)CC1 ZINC000934216547 719448441 /nfs/dbraw/zinc/44/84/41/719448441.db2.gz MKBKTANBRJTADU-IIDMSEBBSA-N 2 0 335.448 -0.074 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2C[N@H+](CC3CC3)C[C@H]2O)n1 ZINC000958076330 722301318 /nfs/dbraw/zinc/30/13/18/722301318.db2.gz DRBWOBRWGKVVOE-GDBMZVCRSA-N 2 0 335.452 -0.123 20 0 EBADRP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC000958116793 722305958 /nfs/dbraw/zinc/30/59/58/722305958.db2.gz IPDZAPGYJWQCNN-STQMWFEESA-N 2 0 327.450 -0.176 20 0 EBADRP COCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958171528 722318081 /nfs/dbraw/zinc/31/80/81/722318081.db2.gz KDQWAISMHBJAAH-CABCVRRESA-N 2 0 325.453 -0.082 20 0 EBADRP Cn1nccc1CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958375661 722354333 /nfs/dbraw/zinc/35/43/33/722354333.db2.gz VKQGOUONGYXQHD-WBVHZDCISA-N 2 0 349.479 -0.287 20 0 EBADRP COCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000958467388 722371331 /nfs/dbraw/zinc/37/13/31/722371331.db2.gz HRBGMTXRUXHJFM-ZFWWWQNUSA-N 2 0 339.440 -0.886 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21)[C@H]1C[NH+]2CCC1CC2 ZINC000959915153 722774808 /nfs/dbraw/zinc/77/48/08/722774808.db2.gz RNZFRPNELMHPGI-LISAXSMJSA-N 2 0 346.475 -0.003 20 0 EBADRP CN(C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC000959916804 722774937 /nfs/dbraw/zinc/77/49/37/722774937.db2.gz XKVYORVVCNBNGP-LISAXSMJSA-N 2 0 346.475 -0.005 20 0 EBADRP CN(C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC000959916803 722775039 /nfs/dbraw/zinc/77/50/39/722775039.db2.gz XKVYORVVCNBNGP-CBZIJGRNSA-N 2 0 346.475 -0.005 20 0 EBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2[C@H]3C[N@H+](CCO)C[C@H]32)CC1 ZINC000959957868 722777814 /nfs/dbraw/zinc/77/78/14/722777814.db2.gz VEBHXIRBIRZHGI-NRKLIOEPSA-N 2 0 337.464 -0.228 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC000960169833 722802463 /nfs/dbraw/zinc/80/24/63/722802463.db2.gz CARXPZFTIJOBKB-QXSJWSMHSA-N 2 0 349.479 -0.068 20 0 EBADRP Cc1cncn1CC(=O)N[C@@H]1[C@H]2CN(CC(=O)N3CCOCC3)C[C@H]21 ZINC000961173902 722910474 /nfs/dbraw/zinc/91/04/74/722910474.db2.gz MKMZPKUVDFPQIE-HALDLXJZSA-N 2 0 347.419 -0.903 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1)C(N)=O ZINC001019039008 728778924 /nfs/dbraw/zinc/77/89/24/728778924.db2.gz MWGPSCBWXYAWLX-OLZOCXBDSA-N 2 0 326.441 -0.591 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001019046206 728781102 /nfs/dbraw/zinc/78/11/02/728781102.db2.gz VFXUYGUIJQKQCG-UONOGXRCSA-N 2 0 336.436 -0.190 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCN4CCNC4=O)C[C@H]32)CC[N@@H+]1C ZINC000961603459 723044309 /nfs/dbraw/zinc/04/43/09/723044309.db2.gz ZDSGVFJUXKWEMB-RFBLXINOSA-N 2 0 349.479 -0.212 20 0 EBADRP CN1CCC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CC[NH+](C)CC2)C1=O ZINC000961657290 723053520 /nfs/dbraw/zinc/05/35/20/723053520.db2.gz CYPRLMNPYKYOJD-QXSJWSMHSA-N 2 0 334.464 -0.005 20 0 EBADRP O=C(NC1CC(C[NH2+]Cc2cnon2)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000962105273 723172926 /nfs/dbraw/zinc/17/29/26/723172926.db2.gz XTQBPDMCFJMSCL-XWWZASNVSA-N 2 0 347.419 -0.083 20 0 EBADRP NC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000963839750 723498766 /nfs/dbraw/zinc/49/87/66/723498766.db2.gz XFIMMEYKXANYNU-FZOOGMQUSA-N 2 0 336.436 -0.648 20 0 EBADRP Cc1nccn1CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000964130735 723826407 /nfs/dbraw/zinc/82/64/07/723826407.db2.gz UZBPIPLKCYOMTJ-LSDHHAIUSA-N 2 0 349.435 -0.371 20 0 EBADRP NC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000964415466 724006210 /nfs/dbraw/zinc/00/62/10/724006210.db2.gz HJGXPMRTRFTRGY-QHDAHCBISA-N 2 0 348.447 -0.648 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2O)CC[N@@H+]1C ZINC000964633637 724045541 /nfs/dbraw/zinc/04/55/41/724045541.db2.gz GMEOLTYSXORLHF-TUVASFSCSA-N 2 0 338.452 -0.890 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001019384251 728875611 /nfs/dbraw/zinc/87/56/11/728875611.db2.gz XWCKUTGQFIEEBK-STQMWFEESA-N 2 0 337.424 -0.930 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)[NH+](C)C ZINC000969090241 725150599 /nfs/dbraw/zinc/15/05/99/725150599.db2.gz QWVNWDBKBDQOHT-RDBSUJKOSA-N 2 0 338.452 -0.890 20 0 EBADRP O=C(N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)C12CCC[NH+]1CCC2 ZINC000969197495 725160952 /nfs/dbraw/zinc/16/09/52/725160952.db2.gz KKYLHORLZNCQIF-CHWSQXEVSA-N 2 0 334.420 -0.390 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC000969722837 725206613 /nfs/dbraw/zinc/20/66/13/725206613.db2.gz QRUOSIWHZJIAGU-SOUVJXGZSA-N 2 0 337.468 -0.068 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CC[N@@H+]1C ZINC000969723407 725206765 /nfs/dbraw/zinc/20/67/65/725206765.db2.gz YKHGHYLZFKAVSH-FQUUOJAGSA-N 2 0 336.436 -0.288 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC000969964132 725232981 /nfs/dbraw/zinc/23/29/81/725232981.db2.gz CQZNYUMDNYSPFT-CQSZACIVSA-N 2 0 337.468 -0.066 20 0 EBADRP C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1C[NH+](CCN2CCNC2=O)C1 ZINC000969967693 725233242 /nfs/dbraw/zinc/23/32/42/725233242.db2.gz DTGLVBVHEWWCID-UKRRQHHQSA-N 2 0 337.468 -0.068 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1)[NH+](C)C ZINC000969986042 725235268 /nfs/dbraw/zinc/23/52/68/725235268.db2.gz PVOFMAQPVOVLNZ-KGLIPLIRSA-N 2 0 346.497 -0.447 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC000970727577 725320685 /nfs/dbraw/zinc/32/06/85/725320685.db2.gz KCQCHQWEWKNNIV-ZIAGYGMSSA-N 2 0 336.440 -0.526 20 0 EBADRP CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CCO2)C1=O ZINC001051654968 735295839 /nfs/dbraw/zinc/29/58/39/735295839.db2.gz BKCQOOWFSDIAON-GJZGRUSLSA-N 2 0 338.452 -0.482 20 0 EBADRP C[C@@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000972627607 725565310 /nfs/dbraw/zinc/56/53/10/725565310.db2.gz HSCFCPGQKJAKAC-STQMWFEESA-N 2 0 326.441 -0.496 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000991740969 725595577 /nfs/dbraw/zinc/59/55/77/725595577.db2.gz YYPBATIJOHLADQ-DZGCQCFKSA-N 2 0 338.452 -0.626 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC(NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000991891043 725668046 /nfs/dbraw/zinc/66/80/46/725668046.db2.gz SPIZLXZADSTFCV-CJNGLKHVSA-N 2 0 334.464 -0.003 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC000992059589 725712427 /nfs/dbraw/zinc/71/24/27/725712427.db2.gz GPFQQFZRZPMFBV-ZDUSSCGKSA-N 2 0 348.451 -0.663 20 0 EBADRP O=C(N[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)C12CC[NH+](CC1)C2 ZINC000973468084 725756904 /nfs/dbraw/zinc/75/69/04/725756904.db2.gz DUCPXTAHHPTYGO-HDJSIYSDSA-N 2 0 332.448 -0.059 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC000974001906 725845569 /nfs/dbraw/zinc/84/55/69/725845569.db2.gz YKFJPAHLPPYLDW-XQLPTFJDSA-N 2 0 338.452 -0.578 20 0 EBADRP CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2cnnn2CC)C1)[NH+](C)C ZINC001051683373 735321882 /nfs/dbraw/zinc/32/18/82/735321882.db2.gz HBNKQLFEGNYQHA-LSDHHAIUSA-N 2 0 338.456 -0.045 20 0 EBADRP O=C(NC1CN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000993582075 725911979 /nfs/dbraw/zinc/91/19/79/725911979.db2.gz UBLYLGYVTNTLPT-CABCVRRESA-N 2 0 348.447 -0.728 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)nc1=O ZINC000995219848 726192669 /nfs/dbraw/zinc/19/26/69/726192669.db2.gz ZMAANBFEIRFPIM-OLZOCXBDSA-N 2 0 336.440 -0.421 20 0 EBADRP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000976279551 726251661 /nfs/dbraw/zinc/25/16/61/726251661.db2.gz KUUGOIFOIANMGW-KSXIZUIISA-N 2 0 334.464 -0.005 20 0 EBADRP Cn1cc(CN[C@@H]2CN(C(=O)[C@H]3CN(C)CCO3)CC2(C)C)nn1 ZINC000995610398 726279717 /nfs/dbraw/zinc/27/97/17/726279717.db2.gz ZZIUOWDUVRUBTD-ZIAGYGMSSA-N 2 0 336.440 -0.528 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CCCC[NH+]4C)C[C@H]32)C1 ZINC000976532079 726336660 /nfs/dbraw/zinc/33/66/60/726336660.db2.gz JNICSZRMLRQZFW-LJIZCISZSA-N 2 0 334.464 -0.005 20 0 EBADRP Cn1nncc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000996617618 726420049 /nfs/dbraw/zinc/42/00/49/726420049.db2.gz CBVXDEIIOFRJPO-GDBMZVCRSA-N 2 0 348.451 -0.241 20 0 EBADRP Cn1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)n1 ZINC000996619794 726420362 /nfs/dbraw/zinc/42/03/62/726420362.db2.gz LAJGHZALAFKIND-HOTGVXAUSA-N 2 0 348.451 -0.241 20 0 EBADRP C[C@H]([NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1)c1nnnn1C ZINC000997187443 726440437 /nfs/dbraw/zinc/44/04/37/726440437.db2.gz NRYPQTIMEJLROW-LBPRGKRZSA-N 2 0 333.440 -0.053 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC000997611782 726457428 /nfs/dbraw/zinc/45/74/28/726457428.db2.gz HKJGMBGIODGVIN-KBPBESRZSA-N 2 0 336.436 -0.286 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000998730289 726496198 /nfs/dbraw/zinc/49/61/98/726496198.db2.gz KCLGKVCWRFIQRO-OLZOCXBDSA-N 2 0 337.424 -0.787 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC000998796389 726498505 /nfs/dbraw/zinc/49/85/05/726498505.db2.gz NCAKXPBLNQZRED-IKWCTNDRSA-N 2 0 336.440 -0.472 20 0 EBADRP CN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC([NH2+]CC(N)=O)C1 ZINC000999098291 726507612 /nfs/dbraw/zinc/50/76/12/726507612.db2.gz DPEXKHSCKUGSEO-UHFFFAOYSA-N 2 0 328.376 -0.055 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nc1=O ZINC000999167547 726509670 /nfs/dbraw/zinc/50/96/70/726509670.db2.gz ARPWBIKSZNIWOF-UONOGXRCSA-N 2 0 348.451 -0.469 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC000999188601 726510438 /nfs/dbraw/zinc/51/04/38/726510438.db2.gz BWKIANZSUYWKEA-RBSFLKMASA-N 2 0 337.468 -0.068 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CC([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000999406769 726518696 /nfs/dbraw/zinc/51/86/96/726518696.db2.gz QSMLSZIHRZZQAC-PNESKVBLSA-N 2 0 336.440 -0.328 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC000999481179 726520462 /nfs/dbraw/zinc/52/04/62/726520462.db2.gz CQMUCPNLWUZOQP-QWHCGFSZSA-N 2 0 339.440 -0.541 20 0 EBADRP NC(=O)C[NH2+][C@H]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000999667341 726526783 /nfs/dbraw/zinc/52/67/83/726526783.db2.gz LHBAEAFCGYXODQ-LBPRGKRZSA-N 2 0 328.376 -0.053 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[NH+](CCCO)C2)nn1 ZINC000999963501 726545108 /nfs/dbraw/zinc/54/51/08/726545108.db2.gz RGIKCBULQHPLJM-CABCVRRESA-N 2 0 336.440 -0.382 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCN2CCNC2=O)C1)[NH+](C)C ZINC001000217506 726559908 /nfs/dbraw/zinc/55/99/08/726559908.db2.gz HHWONGVGAZKTCJ-KBPBESRZSA-N 2 0 325.457 -0.068 20 0 EBADRP CNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001001425596 726605729 /nfs/dbraw/zinc/60/57/29/726605729.db2.gz QIPFNGJQPKXXCJ-HUUCEWRRSA-N 2 0 338.452 -0.576 20 0 EBADRP O=C(NC1CC[NH+](CCN2CCNC2=O)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001002832011 726649669 /nfs/dbraw/zinc/64/96/69/726649669.db2.gz IPQXTZIBOGLSSQ-MRXNPFEDSA-N 2 0 349.479 -0.066 20 0 EBADRP O=C(NC1CC[NH+](CCn2cncn2)CC1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001002874261 726651704 /nfs/dbraw/zinc/65/17/04/726651704.db2.gz HJDZSCUKORYGPL-JKSUJKDBSA-N 2 0 348.451 -0.278 20 0 EBADRP C[NH+]1CCC(C(=O)NC2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)CC1 ZINC001003546792 726679024 /nfs/dbraw/zinc/67/90/24/726679024.db2.gz ANQDRKXFHWXUNI-CQSZACIVSA-N 2 0 336.436 -0.286 20 0 EBADRP Cn1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@H]3CN(C)CCO3)C2)cc1=O ZINC001007003606 726788601 /nfs/dbraw/zinc/78/86/01/726788601.db2.gz QSDUENDYRLZKCO-JKSUJKDBSA-N 2 0 348.447 -0.204 20 0 EBADRP O=C(N[C@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001009219028 726872818 /nfs/dbraw/zinc/87/28/18/726872818.db2.gz IEOAROKVFMASJO-HOTGVXAUSA-N 2 0 347.463 -0.080 20 0 EBADRP CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CCO2)C1=O ZINC001051800686 735404139 /nfs/dbraw/zinc/40/41/39/735404139.db2.gz DUJGZIBWZBDFCI-GJZGRUSLSA-N 2 0 338.452 -0.624 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCO[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001051823689 735415643 /nfs/dbraw/zinc/41/56/43/735415643.db2.gz CUMLILARUDGERW-DZGCQCFKSA-N 2 0 336.440 -0.384 20 0 EBADRP CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2cnnn2CC)C1)[NH+](C)C ZINC001051829815 735420290 /nfs/dbraw/zinc/42/02/90/735420290.db2.gz HBNKQLFEGNYQHA-GJZGRUSLSA-N 2 0 338.456 -0.045 20 0 EBADRP CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001051904405 735455853 /nfs/dbraw/zinc/45/58/53/735455853.db2.gz LQAUUHHIOMCRRI-OAHLLOKOSA-N 2 0 348.451 -0.289 20 0 EBADRP Cn1cc(C[NH2+]C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CCO2)cn1 ZINC001051904106 735455947 /nfs/dbraw/zinc/45/59/47/735455947.db2.gz APESAKLBHYFDTD-HNNXBMFYSA-N 2 0 333.436 -0.167 20 0 EBADRP Cc1nn(C)cc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001051932594 735470588 /nfs/dbraw/zinc/47/05/88/735470588.db2.gz UBBMSMYIOMJLFL-ZBFHGGJFSA-N 2 0 335.452 -0.003 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnns3)C2)C1 ZINC001051932425 735470822 /nfs/dbraw/zinc/47/08/22/735470822.db2.gz QCFAZBVEEMRZFF-NWDGAFQWSA-N 2 0 325.438 -0.193 20 0 EBADRP O=C(CC[NH+]1CCCCC1)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051943122 735477245 /nfs/dbraw/zinc/47/72/45/735477245.db2.gz ITOSEILKYRPQFA-GJZGRUSLSA-N 2 0 338.452 -0.432 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC001014482220 727961012 /nfs/dbraw/zinc/96/10/12/727961012.db2.gz DJHMPCRXNMNVFG-JHJVBQTASA-N 2 0 337.424 -0.931 20 0 EBADRP O=C(N[C@H]1CC12CC[NH+](CCO)CC2)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001016740592 728500082 /nfs/dbraw/zinc/50/00/82/728500082.db2.gz KYLBDOVJLPETEM-DGSCNEQVSA-N 2 0 335.448 -0.187 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](N3CC[NH+](CCCO)CC3)C2)C1 ZINC001052084284 735538379 /nfs/dbraw/zinc/53/83/79/735538379.db2.gz UPLCBFYCKGEQPL-SJORKVTESA-N 2 0 338.496 -0.071 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001020143665 729083520 /nfs/dbraw/zinc/08/35/20/729083520.db2.gz ACHYYIFMTMDHMI-SYQHCUMBSA-N 2 0 336.436 -0.099 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001020143667 729083548 /nfs/dbraw/zinc/08/35/48/729083548.db2.gz ACHYYIFMTMDHMI-XUXIUFHCSA-N 2 0 336.436 -0.099 20 0 EBADRP Cc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccn(CC[NH+](C)C)n3)C2)[nH]1 ZINC001020165418 729089382 /nfs/dbraw/zinc/08/93/82/729089382.db2.gz XLAQQKWTOTVSII-JOCQHMNTSA-N 2 0 346.439 -0.078 20 0 EBADRP Cn1cnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020178803 729092189 /nfs/dbraw/zinc/09/21/89/729092189.db2.gz FOHJGRPKOJFZOF-SYQHCUMBSA-N 2 0 334.424 -0.585 20 0 EBADRP O=C(N[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)C12CCC[NH+](CCC1)C2 ZINC001020285851 729124097 /nfs/dbraw/zinc/12/40/97/729124097.db2.gz KCMGZKRDCVTTOR-MGPQQGTHSA-N 2 0 348.447 -0.096 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)nc1=O ZINC001020289290 729125402 /nfs/dbraw/zinc/12/54/02/729125402.db2.gz WVPMLCBPPPMKTH-XUXIUFHCSA-N 2 0 348.451 -0.138 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)nc1=O ZINC001020348292 729142833 /nfs/dbraw/zinc/14/28/33/729142833.db2.gz XKXTYWIQTQSYJU-HAQNSBGRSA-N 2 0 334.424 -0.526 20 0 EBADRP Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)nn1 ZINC001020405736 729159953 /nfs/dbraw/zinc/15/99/53/729159953.db2.gz BLAIOTSESUIYRK-GUKIMBLNSA-N 2 0 346.435 -0.585 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001020588849 729205631 /nfs/dbraw/zinc/20/56/31/729205631.db2.gz OHOOISMYVISCIG-XGUBFFRZSA-N 2 0 343.493 0.000 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001020590317 729206042 /nfs/dbraw/zinc/20/60/42/729206042.db2.gz SDDQTGNBUZYMOZ-XUXIUFHCSA-N 2 0 336.436 -0.430 20 0 EBADRP CN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)c3cnn(CC[NH+](C)C)c3)C2)C1=O ZINC001020722395 729223833 /nfs/dbraw/zinc/22/38/33/729223833.db2.gz YIOGERCGOVIPKU-RBSFLKMASA-N 2 0 348.451 -0.474 20 0 EBADRP O=C(N[C@@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)C12CC[NH+](CC1)C2 ZINC001020932389 729258455 /nfs/dbraw/zinc/25/84/55/729258455.db2.gz GBLRZUSQYKTRND-JOCQHMNTSA-N 2 0 334.420 -0.532 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001021049833 729275439 /nfs/dbraw/zinc/27/54/39/729275439.db2.gz VWDNMSPAUNILQI-XUXIUFHCSA-N 2 0 329.466 -0.390 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001021052015 729275979 /nfs/dbraw/zinc/27/59/79/729275979.db2.gz WRXDOMFNOGMERG-HDJSIYSDSA-N 2 0 344.481 -0.646 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001021898377 729344275 /nfs/dbraw/zinc/34/42/75/729344275.db2.gz ZCYNIMWHHOZDIZ-HZSPNIEDSA-N 2 0 344.481 -0.647 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001022105925 729455820 /nfs/dbraw/zinc/45/58/20/729455820.db2.gz BYEVBNWHLDQJHP-QNWHQSFQSA-N 2 0 336.440 -0.425 20 0 EBADRP Cn1nncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001022118926 729457191 /nfs/dbraw/zinc/45/71/91/729457191.db2.gz ANKXNJKCSYTYBO-XFMPKHEZSA-N 2 0 334.424 -0.585 20 0 EBADRP CCn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)nn1 ZINC001022120142 729457759 /nfs/dbraw/zinc/45/77/59/729457759.db2.gz LDYCDTGQDLHMOQ-LQKXBSAESA-N 2 0 348.451 -0.102 20 0 EBADRP Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)nn1 ZINC001022451494 729495209 /nfs/dbraw/zinc/49/52/09/729495209.db2.gz BLAIOTSESUIYRK-DFSBOIMQSA-N 2 0 346.435 -0.585 20 0 EBADRP O=C(N[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001022492627 729499815 /nfs/dbraw/zinc/49/98/15/729499815.db2.gz GWNSGEILOJSDAH-KNCOVGOOSA-N 2 0 348.447 -0.097 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)nc1=O ZINC001022838477 729536863 /nfs/dbraw/zinc/53/68/63/729536863.db2.gz PHUCCLXAHHAZIL-XJFOESAGSA-N 2 0 348.451 -0.138 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001022975790 729567730 /nfs/dbraw/zinc/56/77/30/729567730.db2.gz URTJWZYYRMJWGJ-ZQDZILKHSA-N 2 0 343.493 0.000 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001023084198 729598028 /nfs/dbraw/zinc/59/80/28/729598028.db2.gz KCLGKKWTNKIBLR-BARDWOONSA-N 2 0 343.493 0.000 20 0 EBADRP C[N@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1)C1CCC1 ZINC001023207691 729637709 /nfs/dbraw/zinc/63/77/09/729637709.db2.gz CKGVBAOERBAXSJ-QLFBSQMISA-N 2 0 338.452 -0.747 20 0 EBADRP C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)CCC1 ZINC001023216516 729640626 /nfs/dbraw/zinc/64/06/26/729640626.db2.gz INTOVUGAPKPGMA-HZSPNIEDSA-N 2 0 338.452 -0.747 20 0 EBADRP CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CC[C@H](C)C2)C1=O ZINC001026043494 730117365 /nfs/dbraw/zinc/11/73/65/730117365.db2.gz DCRQXLRVCDCTDC-DEQQHWRFSA-N 2 0 334.464 -0.005 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@H]3C2)cn1 ZINC001026373300 730141402 /nfs/dbraw/zinc/14/14/02/730141402.db2.gz MLUDHFYGRUJMCU-QEJZJMRPSA-N 2 0 348.451 -0.630 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@H]3C2)CC1 ZINC001026387656 730142514 /nfs/dbraw/zinc/14/25/14/730142514.db2.gz CBNBRVRSFUQJRT-AEGPPILISA-N 2 0 338.452 -0.591 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2C[C@@H]3CC[C@@H]([NH2+]CCO)[C@H]3C2)CC1 ZINC001026389765 730142771 /nfs/dbraw/zinc/14/27/71/730142771.db2.gz HPIJSJFZMKDTHW-CWRNSKLLSA-N 2 0 325.453 -0.084 20 0 EBADRP Cn1[nH]c(C[NH2+][C@@H]2CC[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]32)nc1=O ZINC001026421345 730144480 /nfs/dbraw/zinc/14/44/80/730144480.db2.gz RWRGIUUQYVOSOZ-BFHYXJOUSA-N 2 0 348.451 -0.469 20 0 EBADRP C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)c1nnnn1C ZINC001027173259 730194873 /nfs/dbraw/zinc/19/48/73/730194873.db2.gz NJRIMVNVDJMJJZ-OLZOCXBDSA-N 2 0 333.440 -0.195 20 0 EBADRP C[N@H+]([C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@H]1CCC(=O)NC1=O ZINC001027651351 730231436 /nfs/dbraw/zinc/23/14/36/730231436.db2.gz KQWSLTWSJIYVJS-KGLIPLIRSA-N 2 0 348.447 -0.190 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCN2C(=O)CCC2=O)C1 ZINC001028445877 730293716 /nfs/dbraw/zinc/29/37/16/730293716.db2.gz WMKRWZUVKAQPQB-KGLIPLIRSA-N 2 0 336.436 -0.332 20 0 EBADRP COc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3CN(C)CCO3)C2)nn1 ZINC001028465945 730296985 /nfs/dbraw/zinc/29/69/85/730296985.db2.gz NJBCORYBNLLZJX-ZFWWWQNUSA-N 2 0 349.435 -0.246 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001028549069 730312467 /nfs/dbraw/zinc/31/24/67/730312467.db2.gz LJJFXASGCMIEKI-RBSFLKMASA-N 2 0 337.468 -0.210 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028699279 730341847 /nfs/dbraw/zinc/34/18/47/730341847.db2.gz WLANUUCBSPFSIJ-SMOJQAGNSA-N 2 0 336.436 -0.966 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028757177 730352118 /nfs/dbraw/zinc/35/21/18/730352118.db2.gz AVTFKUHTJPGOPC-ZIAGYGMSSA-N 2 0 326.441 -0.720 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+](CCN3C(=O)CCC3=O)C2)C1 ZINC001028982408 730377856 /nfs/dbraw/zinc/37/78/56/730377856.db2.gz KKMGUHJGHHLPPN-ZIAGYGMSSA-N 2 0 336.436 -0.475 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCC(=O)NC1=O)C1CC1 ZINC001029338248 730399730 /nfs/dbraw/zinc/39/97/30/730399730.db2.gz WJYRJGDPMCGRMH-CTASWTNQSA-N 2 0 348.447 -0.193 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CCN1CCNC1=O ZINC001029475302 730407039 /nfs/dbraw/zinc/40/70/39/730407039.db2.gz YDAUVEAKLAUUIG-WCVJEAGWSA-N 2 0 349.479 -0.116 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3[C@@H]2CCC(=O)NC2=O)C1 ZINC001029583081 730411709 /nfs/dbraw/zinc/41/17/09/730411709.db2.gz MNZWZTFVAKKICR-IGQOVBAYSA-N 2 0 334.420 -0.582 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C[C@H](O)Cn2cccn2)C1 ZINC001029584574 730411821 /nfs/dbraw/zinc/41/18/21/730411821.db2.gz YNBZBJCMSYNNMN-WCXIOVBPSA-N 2 0 347.463 -0.129 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001030025727 730537114 /nfs/dbraw/zinc/53/71/14/730537114.db2.gz UIWJDBBFUUWLKP-BZUAXINKSA-N 2 0 335.452 -0.081 20 0 EBADRP O=C(NCC1C[NH+](CCN2CCNC2=O)C1)C12CCC[NH+](CCC1)C2 ZINC001031764393 730765063 /nfs/dbraw/zinc/76/50/63/730765063.db2.gz CTLAZXSMKIFVNZ-UHFFFAOYSA-N 2 0 349.479 -0.064 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001032829869 730940589 /nfs/dbraw/zinc/94/05/89/730940589.db2.gz WGAUBSSIXAFDDM-JYJNAYRXSA-N 2 0 335.452 -0.081 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)nc1=O ZINC001034795028 731157781 /nfs/dbraw/zinc/15/77/81/731157781.db2.gz RRXXCDIRAOAGMA-JOCQHMNTSA-N 2 0 336.440 -0.279 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[NH+]3CCC2CC3)nc1=O ZINC001034941256 731166084 /nfs/dbraw/zinc/16/60/84/731166084.db2.gz LVENDWBHXCJWSE-KGLIPLIRSA-N 2 0 348.451 -0.469 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001035036305 731180017 /nfs/dbraw/zinc/18/00/17/731180017.db2.gz KIRGMLHIOFHLGL-KGLIPLIRSA-N 2 0 336.436 -0.286 20 0 EBADRP CC[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001037969274 731275698 /nfs/dbraw/zinc/27/56/98/731275698.db2.gz JUMRZODPEYGEPG-HIFRSBDPSA-N 2 0 340.468 -0.201 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)C[NH+](CC)CC)C1)[NH+](C)C ZINC001039785711 731533720 /nfs/dbraw/zinc/53/37/20/731533720.db2.gz LSYVEFUGXNUXDT-WMLDXEAASA-N 2 0 342.484 -0.252 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039787426 731535311 /nfs/dbraw/zinc/53/53/11/731535311.db2.gz NFRFBFOCPMKEKJ-YOEHRIQHSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)CCC[NH+](C)C)C1)[NH+](C)C ZINC001040202973 731642127 /nfs/dbraw/zinc/64/21/27/731642127.db2.gz VNNKLMUMVAWGNW-RHSMWYFYSA-N 2 0 342.484 -0.252 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001061426443 738537071 /nfs/dbraw/zinc/53/70/71/738537071.db2.gz PBTACNZFDZBXTK-UONOGXRCSA-N 2 0 326.441 -0.624 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001040719114 731845992 /nfs/dbraw/zinc/84/59/92/731845992.db2.gz RBQDPLSAHFEWLT-YOEHRIQHSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001040719110 731846201 /nfs/dbraw/zinc/84/62/01/731846201.db2.gz RBQDPLSAHFEWLT-WMLDXEAASA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040797212 731878628 /nfs/dbraw/zinc/87/86/28/731878628.db2.gz DNEKCELQEKQZHQ-MRXNPFEDSA-N 2 0 328.457 -0.641 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001040797354 731878707 /nfs/dbraw/zinc/87/87/07/731878707.db2.gz FCNSYGJAHHIHLR-KRWDZBQOSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040799511 731880154 /nfs/dbraw/zinc/88/01/54/731880154.db2.gz ZTWZJJOHJGLEKZ-INIZCTEOSA-N 2 0 328.457 -0.641 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001040799398 731880294 /nfs/dbraw/zinc/88/02/94/731880294.db2.gz ZEKTUKCBBMJJOS-WBVHZDCISA-N 2 0 340.468 -0.642 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001040903064 731911901 /nfs/dbraw/zinc/91/19/01/731911901.db2.gz WVLGILKXZBITMI-KRWDZBQOSA-N 2 0 342.484 -0.250 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041286379 732066185 /nfs/dbraw/zinc/06/61/85/732066185.db2.gz LCGNMTGYEVSRTD-QAPCUYQASA-N 2 0 334.464 -0.001 20 0 EBADRP C[NH+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001042097300 732306889 /nfs/dbraw/zinc/30/68/89/732306889.db2.gz GMVNAOWWLHJPSG-ZIAGYGMSSA-N 2 0 338.452 -0.888 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042103115 732312234 /nfs/dbraw/zinc/31/22/34/732312234.db2.gz BBOAGPLIXUJYMD-CYBMUJFWSA-N 2 0 326.441 -0.888 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001042103690 732314279 /nfs/dbraw/zinc/31/42/79/732314279.db2.gz HEKPIOGADTUBGJ-AWEZNQCLSA-N 2 0 338.452 -0.888 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001042103695 732314436 /nfs/dbraw/zinc/31/44/36/732314436.db2.gz HEYIWMQRTXZRNF-KGLIPLIRSA-N 2 0 338.452 -0.746 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001061595279 738634632 /nfs/dbraw/zinc/63/46/32/738634632.db2.gz GXMNQQFYRPTGAS-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001061595766 738635619 /nfs/dbraw/zinc/63/56/19/738635619.db2.gz OGYREWMDNQCBKG-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043123444 732771687 /nfs/dbraw/zinc/77/16/87/732771687.db2.gz DMPBBOYOBRAPJM-UHFFFAOYSA-N 2 0 340.468 -0.496 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001061602630 738643176 /nfs/dbraw/zinc/64/31/76/738643176.db2.gz MRXYVGFTRYSMSQ-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1 ZINC001043157565 732794116 /nfs/dbraw/zinc/79/41/16/732794116.db2.gz FTIMTIAUQJJIHM-UHFFFAOYSA-N 2 0 328.457 -0.641 20 0 EBADRP CC[C@@H](C(=O)N1CC(O)(CNC(=O)C[N@H+](C)C2CCC2)C1)[NH+](C)C ZINC001043530890 732994721 /nfs/dbraw/zinc/99/47/21/732994721.db2.gz NPLFMKGYCQDNCF-AWEZNQCLSA-N 2 0 340.468 -0.500 20 0 EBADRP CC[C@H](C(=O)N1CC(O)(CNC(=O)C[N@H+](C)C2CCC2)C1)[NH+](C)C ZINC001043536458 732998383 /nfs/dbraw/zinc/99/83/83/732998383.db2.gz NPLFMKGYCQDNCF-CQSZACIVSA-N 2 0 340.468 -0.500 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001044010713 733244561 /nfs/dbraw/zinc/24/45/61/733244561.db2.gz BIXLPXKJPBVQPG-CQSZACIVSA-N 2 0 338.452 -0.887 20 0 EBADRP C[NH+](C)CCCCC(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1 ZINC001044245623 733337826 /nfs/dbraw/zinc/33/78/26/733337826.db2.gz BGZVUMCVWWQUQM-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001044287049 733356560 /nfs/dbraw/zinc/35/65/60/733356560.db2.gz BOJHJDKWLBKPOW-OAHLLOKOSA-N 2 0 342.484 -0.396 20 0 EBADRP CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC001044287950 733357823 /nfs/dbraw/zinc/35/78/23/733357823.db2.gz WUGUNUBZHXVICI-UONOGXRCSA-N 2 0 340.468 -0.644 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)CCCC[NH+](C)C)C1 ZINC001044299220 733366363 /nfs/dbraw/zinc/36/63/63/733366363.db2.gz YGYJWCCJKDPSAL-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001044610434 733463765 /nfs/dbraw/zinc/46/37/65/733463765.db2.gz PZLGIOSJJRXGOV-OLZOCXBDSA-N 2 0 336.440 -0.487 20 0 EBADRP C[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001044824497 733521040 /nfs/dbraw/zinc/52/10/40/733521040.db2.gz RBTUTGGTASBXGM-QWHCGFSZSA-N 2 0 348.451 -0.327 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001061723905 738724368 /nfs/dbraw/zinc/72/43/68/738724368.db2.gz GVKVYSSQHKUGPU-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC001061741127 738732703 /nfs/dbraw/zinc/73/27/03/738732703.db2.gz PRJRERXFUSMEBM-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001061743135 738733932 /nfs/dbraw/zinc/73/39/32/738733932.db2.gz YDDUALGHUHMILA-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CN1CCO[C@H](C(=O)NC2(C)CC[NH+](CCn3cncn3)CC2)C1 ZINC001045397562 733686287 /nfs/dbraw/zinc/68/62/87/733686287.db2.gz GUEASWXMHRILAN-AWEZNQCLSA-N 2 0 336.440 -0.421 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001045716234 733758257 /nfs/dbraw/zinc/75/82/57/733758257.db2.gz ADVRQTSYLZRXTI-UONOGXRCSA-N 2 0 340.468 -0.642 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045716933 733758746 /nfs/dbraw/zinc/75/87/46/733758746.db2.gz RESBHVUOAXFKQK-CYBMUJFWSA-N 2 0 326.441 -0.888 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CCN([C@H]2CC[N@H+](CCCO)C2)CC1)C1CC1 ZINC001046035795 733819541 /nfs/dbraw/zinc/81/95/41/733819541.db2.gz SVXKQKRQCZJIFV-IRXDYDNUSA-N 2 0 338.496 -0.073 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCN([C@@H]3CC[NH+](CCCO)C3)CC2)C1 ZINC001046064648 733841754 /nfs/dbraw/zinc/84/17/54/733841754.db2.gz QOZCUIRJINDGQO-DLBZAZTESA-N 2 0 338.496 -0.071 20 0 EBADRP C[NH+]1CCC(CC(=O)N2CCN([C@@H]3CC[N@H+](CCO)C3)CC2)CC1 ZINC001046071104 733845083 /nfs/dbraw/zinc/84/50/83/733845083.db2.gz SKJHAZLBQGYHTM-QGZVFWFLSA-N 2 0 338.496 -0.071 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001046076228 733850961 /nfs/dbraw/zinc/85/09/61/733850961.db2.gz KXBCJMURLKFGQI-OAHLLOKOSA-N 2 0 349.479 -0.953 20 0 EBADRP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001046082638 733855451 /nfs/dbraw/zinc/85/54/51/733855451.db2.gz UWPWDZOTTKDIOE-HUUCEWRRSA-N 2 0 337.468 -0.826 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1 ZINC001046671982 733995907 /nfs/dbraw/zinc/99/59/07/733995907.db2.gz OJKGABGCFNUVKJ-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)C1 ZINC001046683600 734001662 /nfs/dbraw/zinc/00/16/62/734001662.db2.gz COJVOGWMHBLSSO-ZIAGYGMSSA-N 2 0 340.468 -0.785 20 0 EBADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O ZINC001047629212 734290851 /nfs/dbraw/zinc/29/08/51/734290851.db2.gz TVMWZSSILJFEGD-BPUTZDHNSA-N 2 0 335.452 -0.582 20 0 EBADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001048442544 734419521 /nfs/dbraw/zinc/41/95/21/734419521.db2.gz VRNRKCIDZMAXBV-QWHCGFSZSA-N 2 0 333.440 -0.510 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001048824000 734525758 /nfs/dbraw/zinc/52/57/58/734525758.db2.gz QBHVSRABEZAXKQ-VVLHAWIVSA-N 2 0 346.475 -0.003 20 0 EBADRP CC[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001048824286 734526189 /nfs/dbraw/zinc/52/61/89/734526189.db2.gz XMYPKYFDKRSZGD-QKPAOTATSA-N 2 0 334.464 -0.018 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048824042 734526248 /nfs/dbraw/zinc/52/62/48/734526248.db2.gz QQTNDSIQMCUWKB-XUWVNRHRSA-N 2 0 332.448 -0.393 20 0 EBADRP CC[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001048824288 734526385 /nfs/dbraw/zinc/52/63/85/734526385.db2.gz XMYPKYFDKRSZGD-XUWVNRHRSA-N 2 0 334.464 -0.018 20 0 EBADRP C[N@H+](CC(=O)N1C[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2C1)C1CCC1 ZINC001048864904 734543766 /nfs/dbraw/zinc/54/37/66/734543766.db2.gz PMABOTULJWRYOJ-GASCZTMLSA-N 2 0 349.479 -0.114 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2C1)C1CC1 ZINC001048864131 734543857 /nfs/dbraw/zinc/54/38/57/734543857.db2.gz SFXUAMWVWXIEBB-HLLBOEOZSA-N 2 0 334.464 -0.051 20 0 EBADRP CC[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)C(C)C)C1)[NH+](C)C ZINC001048972808 734591613 /nfs/dbraw/zinc/59/16/13/734591613.db2.gz DFBYWERYIYUONT-ILXRZTDVSA-N 2 0 342.484 -0.303 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001048976761 734593978 /nfs/dbraw/zinc/59/39/78/734593978.db2.gz GDGSOCDPCJQTQH-KBPBESRZSA-N 2 0 328.457 -0.692 20 0 EBADRP CN(C(=O)[C@@H](C1CC1)[NH+](C)C)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001048985292 734600650 /nfs/dbraw/zinc/60/06/50/734600650.db2.gz SXFSGQHFTQORFF-OFQRWUPVSA-N 2 0 340.468 -0.692 20 0 EBADRP CN(C(=O)[C@H](C1CC1)[NH+](C)C)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001048985291 734601026 /nfs/dbraw/zinc/60/10/26/734601026.db2.gz SXFSGQHFTQORFF-DZKIICNBSA-N 2 0 340.468 -0.692 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@@H]4CCNC4=O)C[C@@H]3C2)CC[N@@H+]1C ZINC001049008965 734611019 /nfs/dbraw/zinc/61/10/19/734611019.db2.gz XJXHOJDOJLNOAJ-RFBLXINOSA-N 2 0 334.464 -0.005 20 0 EBADRP C[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCC(=O)NC4=O)C[C@@H]3C2)CC1 ZINC001049025096 734619057 /nfs/dbraw/zinc/61/90/57/734619057.db2.gz LIEIERVJFIBXIA-ZNMIVQPWSA-N 2 0 348.447 -0.476 20 0 EBADRP C[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCC(=O)NC4=O)C[C@@H]3C2)CC1 ZINC001049025095 734619201 /nfs/dbraw/zinc/61/92/01/734619201.db2.gz LIEIERVJFIBXIA-QLFBSQMISA-N 2 0 348.447 -0.476 20 0 EBADRP CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O)[NH+](C)C ZINC001049027242 734619655 /nfs/dbraw/zinc/61/96/55/734619655.db2.gz IBHFOOFBXMLFQH-ILXRZTDVSA-N 2 0 340.468 -0.548 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001049057026 734628864 /nfs/dbraw/zinc/62/88/64/734628864.db2.gz IWCNOKUDSKPAFB-APIJFGDWSA-N 2 0 348.447 -0.334 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCC4)C[C@@H]3C2)C1 ZINC001049059069 734630631 /nfs/dbraw/zinc/63/06/31/734630631.db2.gz MJQVKIXLYIENRV-OAGGEKHMSA-N 2 0 334.464 -0.049 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@@H]2C1 ZINC001049060021 734630915 /nfs/dbraw/zinc/63/09/15/734630915.db2.gz LQATULHVIOMESY-HGTKMLMNSA-N 2 0 334.464 -0.147 20 0 EBADRP C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001049134597 734658304 /nfs/dbraw/zinc/65/83/04/734658304.db2.gz ACCTTXOWQJUXHZ-KFWWJZLASA-N 2 0 325.453 -0.132 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+]([C@H]4CCC(=O)NC4=O)C[C@@H]3C2)C1 ZINC001049213865 734687227 /nfs/dbraw/zinc/68/72/27/734687227.db2.gz WTXPVUFYCNHTNM-FQUUOJAGSA-N 2 0 334.420 -0.867 20 0 EBADRP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049215237 734687341 /nfs/dbraw/zinc/68/73/41/734687341.db2.gz PMQPIDUDHCRWAU-LJISPDSOSA-N 2 0 334.464 -0.005 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CCN4CCCC4=O)C[C@@H]3C2)C1 ZINC001049214993 734687685 /nfs/dbraw/zinc/68/76/85/734687685.db2.gz FORVRBCXKKBMQT-HRCADAONSA-N 2 0 334.464 -0.049 20 0 EBADRP CN(C(=O)CC[NH+](C)C)[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@H]1O ZINC001049428850 734727495 /nfs/dbraw/zinc/72/74/95/734727495.db2.gz OVWLHTAGTTVSIT-ILXRZTDVSA-N 2 0 340.468 -0.548 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001049542147 734749655 /nfs/dbraw/zinc/74/96/55/734749655.db2.gz GLMRSJPDFSMVSU-GJZGRUSLSA-N 2 0 342.484 -0.300 20 0 EBADRP C[C@H](NC(=O)COCC[NH+](C)C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001051502724 735212611 /nfs/dbraw/zinc/21/26/11/735212611.db2.gz IOYKNRLDIQZCLL-LSDHHAIUSA-N 2 0 342.484 -0.131 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](CCN3CCNC3=O)CC2)C1 ZINC001052934991 735724520 /nfs/dbraw/zinc/72/45/20/735724520.db2.gz OXAJEYWFPCUTGD-GJZGRUSLSA-N 2 0 337.468 -0.066 20 0 EBADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054854084 736256440 /nfs/dbraw/zinc/25/64/40/736256440.db2.gz OGTMCHRTPKOXKE-CHWSQXEVSA-N 2 0 348.451 -0.327 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCNC(=O)c2ccn[nH]2)CC1 ZINC001055527118 736369462 /nfs/dbraw/zinc/36/94/62/736369462.db2.gz OHYGFZHWKBPRJA-OAHLLOKOSA-N 2 0 348.451 -0.186 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCNC(=O)c2ncc[nH]2)CC1 ZINC001055572217 736387941 /nfs/dbraw/zinc/38/79/41/736387941.db2.gz USKAPMHDQJKVLT-AWEZNQCLSA-N 2 0 348.451 -0.186 20 0 EBADRP C[NH+](C)CCC(=O)NC1CC[NH+](CCNC(=O)c2ncc[nH]2)CC1 ZINC001055573308 736388968 /nfs/dbraw/zinc/38/89/68/736388968.db2.gz VVHDNDSIIGQIPW-UHFFFAOYSA-N 2 0 336.440 -0.328 20 0 EBADRP COCC(=O)NC1CC[NH+](CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001055577827 736391733 /nfs/dbraw/zinc/39/17/33/736391733.db2.gz BXTWDZFMZCYRQH-ZDUSSCGKSA-N 2 0 326.441 -0.719 20 0 EBADRP CO[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)CC[NH+](C)C)CC1 ZINC001055633640 736417418 /nfs/dbraw/zinc/41/74/18/736417418.db2.gz WWARRBIXPAJVBV-ZDUSSCGKSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001055838979 736512682 /nfs/dbraw/zinc/51/26/82/736512682.db2.gz XTATXUUQNAFTPJ-YOEHRIQHSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001056103380 736642208 /nfs/dbraw/zinc/64/22/08/736642208.db2.gz CFWKOMHWHWYUNI-WMLDXEAASA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001056105087 736643306 /nfs/dbraw/zinc/64/33/06/736643306.db2.gz JIAUBBMKXHJKNW-QGZVFWFLSA-N 2 0 340.468 -0.496 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001056105083 736643355 /nfs/dbraw/zinc/64/33/55/736643355.db2.gz JIAUBBMKXHJKNW-KRWDZBQOSA-N 2 0 340.468 -0.496 20 0 EBADRP C[NH+](C)CC1(C(=O)NCCN(CCO)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001057636786 737376763 /nfs/dbraw/zinc/37/67/63/737376763.db2.gz YXFLIVYJHDWEOS-AWEZNQCLSA-N 2 0 340.468 -0.783 20 0 EBADRP C[NH+]1CCC(C(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)CC1 ZINC001057640148 737380585 /nfs/dbraw/zinc/38/05/85/737380585.db2.gz CZSHWFBDVLSNDX-UHFFFAOYSA-N 2 0 340.468 -0.639 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)C[NH+](C)C(C)C ZINC001057862978 737482855 /nfs/dbraw/zinc/48/28/55/737482855.db2.gz AATWTLMRSNJVJO-UHFFFAOYSA-N 2 0 344.500 -0.004 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC001057864050 737485127 /nfs/dbraw/zinc/48/51/27/737485127.db2.gz AHVFAVJIRHFYKV-HUUCEWRRSA-N 2 0 342.484 -0.539 20 0 EBADRP CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)CCC[NH+](C)C)[NH+](C)C ZINC001057882042 737501497 /nfs/dbraw/zinc/50/14/97/737501497.db2.gz APZIYBVOSYGPQY-INIZCTEOSA-N 2 0 344.500 -0.149 20 0 EBADRP CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC001057974953 737571580 /nfs/dbraw/zinc/57/15/80/737571580.db2.gz AOJMSHKLVNRAAG-CABCVRRESA-N 2 0 342.484 -0.252 20 0 EBADRP C[NH+](C)CCC(=O)NCCN(CCO)C(=O)C1CC[NH+](C)CC1 ZINC001057994154 737581828 /nfs/dbraw/zinc/58/18/28/737581828.db2.gz LIBRNDYXIJRALP-UHFFFAOYSA-N 2 0 328.457 -0.783 20 0 EBADRP CC(C)[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC001058251092 737734338 /nfs/dbraw/zinc/73/43/38/737734338.db2.gz VMBIKTSOZDTEJI-HUUCEWRRSA-N 2 0 342.484 -0.396 20 0 EBADRP CCC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001058252649 737735324 /nfs/dbraw/zinc/73/53/24/737735324.db2.gz QTNHIACQCYDJMP-HNNXBMFYSA-N 2 0 342.484 -0.393 20 0 EBADRP CCC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)CC[NH+](C)CC ZINC001058252685 737735476 /nfs/dbraw/zinc/73/54/76/737735476.db2.gz SDVDIINLMPEZKE-UHFFFAOYSA-N 2 0 344.500 -0.003 20 0 EBADRP C[NH+](C)CC1(C(=O)N(CCO)CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001058601816 737917083 /nfs/dbraw/zinc/91/70/83/737917083.db2.gz QSTJIVMUOOZPQR-AWEZNQCLSA-N 2 0 340.468 -0.783 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCCN(CCO)C(=O)CCC[NH+](C)C)C1 ZINC001058607588 737920125 /nfs/dbraw/zinc/92/01/25/737920125.db2.gz HJYVVCRIBWQBAR-OAHLLOKOSA-N 2 0 342.484 -0.393 20 0 EBADRP C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001058607995 737920430 /nfs/dbraw/zinc/92/04/30/737920430.db2.gz WOVLBABFYCXUJW-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)CCCCC(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058610287 737921097 /nfs/dbraw/zinc/92/10/97/737921097.db2.gz FQKKYKMKQZNJAT-UHFFFAOYSA-N 2 0 344.500 -0.003 20 0 EBADRP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)CC[N@@H+](C)CC ZINC001058815230 738002750 /nfs/dbraw/zinc/00/27/50/738002750.db2.gz REMMSEQQXIWPRY-UHFFFAOYSA-N 2 0 330.473 -0.393 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001058846767 738027903 /nfs/dbraw/zinc/02/79/03/738027903.db2.gz FJSCVXVXEPYERS-GJZGRUSLSA-N 2 0 340.468 -0.783 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001065170277 739575611 /nfs/dbraw/zinc/57/56/11/739575611.db2.gz YIWFRVXZUXKTTN-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065171696 739577273 /nfs/dbraw/zinc/57/72/73/739577273.db2.gz KFEMAJZBUCMIAT-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCO1 ZINC001065318257 739650679 /nfs/dbraw/zinc/65/06/79/739650679.db2.gz QVXHLZBEARGUTQ-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001065370574 739678962 /nfs/dbraw/zinc/67/89/62/739678962.db2.gz SSKVWCQDSQRQBL-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001065540037 739750298 /nfs/dbraw/zinc/75/02/98/739750298.db2.gz KHDANRKEWBQSGW-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001065571784 739768268 /nfs/dbraw/zinc/76/82/68/739768268.db2.gz BUZITHDDVPIVQZ-CQSZACIVSA-N 2 0 338.452 -0.623 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065572788 739769204 /nfs/dbraw/zinc/76/92/04/739769204.db2.gz XGYNKFXKFWWKPV-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001065574375 739770621 /nfs/dbraw/zinc/77/06/21/739770621.db2.gz GPUVJOGZJIZQAW-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001065574374 739770721 /nfs/dbraw/zinc/77/07/21/739770721.db2.gz GPUVJOGZJIZQAW-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001068455704 740331238 /nfs/dbraw/zinc/33/12/38/740331238.db2.gz CPGBAKRVYPCQFQ-AWEZNQCLSA-N 2 0 338.452 -0.670 20 0 EBADRP CC[C@@H](C(=O)N1CC2(C1)CN(C(=O)CC[NH+](C)C)CCO2)[NH+](C)C ZINC001068456520 740331673 /nfs/dbraw/zinc/33/16/73/740331673.db2.gz SMTCUGIBTBEUFE-AWEZNQCLSA-N 2 0 340.468 -0.282 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069015317 740524175 /nfs/dbraw/zinc/52/41/75/740524175.db2.gz QSINPHJUVZMAON-CQSZACIVSA-N 2 0 340.468 -0.236 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069015316 740524201 /nfs/dbraw/zinc/52/42/01/740524201.db2.gz QSINPHJUVZMAON-AWEZNQCLSA-N 2 0 340.468 -0.236 20 0 EBADRP C[NH+](C)CCC(=O)NCC1(NC(=O)C[NH+]2CCCC2)CCOCC1 ZINC001070123411 740710239 /nfs/dbraw/zinc/71/02/39/740710239.db2.gz MWJFPZJQPSDOPU-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP C[NH+](C)CCC(=O)NC1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC001070238885 740765116 /nfs/dbraw/zinc/76/51/16/740765116.db2.gz JXTRSHNNTIYLPM-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070261026 740771560 /nfs/dbraw/zinc/77/15/60/740771560.db2.gz ZERYJMBMYAYTEW-KGLIPLIRSA-N 2 0 348.407 -0.420 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2[NH2+]CCO)c1 ZINC001070555706 740861515 /nfs/dbraw/zinc/86/15/15/740861515.db2.gz OLBOAKCFZAYNCQ-DZGCQCFKSA-N 2 0 333.436 -0.608 20 0 EBADRP Cn1cncc1[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCO ZINC001070710601 740924244 /nfs/dbraw/zinc/92/42/44/740924244.db2.gz IXOBFNPOHGNSDR-ZIAGYGMSSA-N 2 0 333.436 -0.608 20 0 EBADRP C[C@@H](O)CN1CCNC(=O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001070975723 741010735 /nfs/dbraw/zinc/01/07/35/741010735.db2.gz YJMODXFDVWTDAU-CABCVRRESA-N 2 0 340.468 -0.498 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1C ZINC001072433212 741398622 /nfs/dbraw/zinc/39/86/22/741398622.db2.gz SSJNKRHNUWTYCN-GJZGRUSLSA-N 2 0 342.484 -0.131 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CC2(C1)CC[N@@H+]([C@@H]1CCC(=O)NC1=O)C2)C1CC1 ZINC001072814540 741492625 /nfs/dbraw/zinc/49/26/25/741492625.db2.gz IPYUGUWFTDCTAG-HIFRSBDPSA-N 2 0 348.447 -0.334 20 0 EBADRP C[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C3)CC1 ZINC001072941217 741525423 /nfs/dbraw/zinc/52/54/23/741525423.db2.gz GEFDICNSRBHKMU-CQSZACIVSA-N 2 0 348.447 -0.332 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCN1CCNC1=O)C2 ZINC001072981242 741533714 /nfs/dbraw/zinc/53/37/14/741533714.db2.gz BKURXPPYKNRLBC-GJZGRUSLSA-N 2 0 349.479 -0.256 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)N1CCC1)C2 ZINC001072983549 741534491 /nfs/dbraw/zinc/53/44/91/741534491.db2.gz ZQXMZLGDPIIGKW-GJZGRUSLSA-N 2 0 334.464 -0.049 20 0 EBADRP CN1CC[C@@H]([N@@H+]2CCC3(CN(C(=O)C45CC[NH+](CC4)C5)C3)C2)C1=O ZINC001073129437 741566765 /nfs/dbraw/zinc/56/67/65/741566765.db2.gz YGKQVZKFEMEVEI-CQSZACIVSA-N 2 0 332.448 -0.153 20 0 EBADRP O=C(NC[C@H]1C[N@H+](CCO)CCCO1)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001073700645 741713729 /nfs/dbraw/zinc/71/37/29/741713729.db2.gz SNQNGVVSRIEJDU-GWUWNPHMSA-N 2 0 339.436 -0.951 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CCN3CCNC3=O)[C@@H]2C)CC[N@@H+]1C ZINC001074661837 742054871 /nfs/dbraw/zinc/05/48/71/742054871.db2.gz NOLQXAYYUUCMHG-BARDWOONSA-N 2 0 337.468 -0.069 20 0 EBADRP C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001076344973 742443271 /nfs/dbraw/zinc/44/32/71/742443271.db2.gz INZCNFSGPYQNJZ-IJEWVQPXSA-N 2 0 335.452 -0.028 20 0 EBADRP O=C(N1CC[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001076467436 742477364 /nfs/dbraw/zinc/47/73/64/742477364.db2.gz LGLRDIQUMDXPIN-RRFJBIMHSA-N 2 0 332.448 -0.107 20 0 EBADRP O=C(N[C@@H]1C[N@H+](CCO)C[C@H]1O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001076999277 742687599 /nfs/dbraw/zinc/68/75/99/742687599.db2.gz LGIXCPQWTLLJRA-FVQBIDKESA-N 2 0 325.453 -0.205 20 0 EBADRP O=C(N[C@@H]1C[N@H+](CCCO)C[C@H]1O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001077129077 742745988 /nfs/dbraw/zinc/74/59/88/742745988.db2.gz SEBCCUITIINPFV-BZUAXINKSA-N 2 0 341.452 -0.827 20 0 EBADRP O=C(N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077418268 742964520 /nfs/dbraw/zinc/96/45/20/742964520.db2.gz LMCIVJKSEHRXFK-DSZOFWSKSA-N 2 0 335.448 -0.189 20 0 EBADRP C[C@@H](CCNC(=O)COCC[NH+](C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001077495855 743020577 /nfs/dbraw/zinc/02/05/77/743020577.db2.gz UGDZJTMTVGAYAG-AWEZNQCLSA-N 2 0 342.484 -0.083 20 0 EBADRP Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001078356303 743602178 /nfs/dbraw/zinc/60/21/78/743602178.db2.gz HLLIPLSOFVPQCK-LSDHHAIUSA-N 2 0 336.440 -0.384 20 0 EBADRP C[NH+](C)C1(C(=O)N2CCCO[C@@H](C[NH2+][C@H]3CCNC3=O)C2)CCC1 ZINC001078411389 743636782 /nfs/dbraw/zinc/63/67/82/743636782.db2.gz LKRLUYAOZYUNTL-KBPBESRZSA-N 2 0 338.452 -0.434 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000980839820 806029903 /nfs/dbraw/zinc/02/99/03/806029903.db2.gz NIGKNTDYBRZZET-HOTGVXAUSA-N 2 0 335.452 -0.128 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC2(C1)CCC[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC000982152717 806412004 /nfs/dbraw/zinc/41/20/04/806412004.db2.gz XKUNCJWZMIRISW-CQSZACIVSA-N 2 0 348.447 -0.188 20 0 EBADRP Cn1cncc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]21 ZINC000976862883 803915288 /nfs/dbraw/zinc/91/52/88/803915288.db2.gz STKVBGUAICTTPO-CTASWTNQSA-N 2 0 331.420 -0.370 20 0 EBADRP O=C(NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000978555829 804860767 /nfs/dbraw/zinc/86/07/67/804860767.db2.gz KEAWRXADHSTHKY-UEIJKTBSSA-N 2 0 335.448 -0.474 20 0 EBADRP CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC000978642202 804900019 /nfs/dbraw/zinc/90/00/19/804900019.db2.gz TYYGSJCBKYNSTA-XQLPTFJDSA-N 2 0 338.452 -0.864 20 0 EBADRP CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC000978978235 805069147 /nfs/dbraw/zinc/06/91/47/805069147.db2.gz VDKZDTKQPHBGRU-DEZZGGKRSA-N 2 0 331.420 -0.199 20 0 EBADRP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)c1nnnn1C ZINC000985040316 807430739 /nfs/dbraw/zinc/43/07/39/807430739.db2.gz MNLYROFOXWMWGK-JHJVBQTASA-N 2 0 333.440 -0.149 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnnn3C3CC3)C2)C1 ZINC000985120401 807449127 /nfs/dbraw/zinc/44/91/27/807449127.db2.gz QXTLUFPSTVMHNH-AVGNSLFASA-N 2 0 333.440 -0.056 20 0 EBADRP C[C@H]1[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986831851 807784733 /nfs/dbraw/zinc/78/47/33/807784733.db2.gz WGPOMZRTMMHGOV-WCQYABFASA-N 2 0 336.440 -0.471 20 0 EBADRP C[C@H]1C[C@H]([NH2+]CC(N)=O)CN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC000989168818 808393859 /nfs/dbraw/zinc/39/38/59/808393859.db2.gz CFNZTVIFHNAQNY-RYUDHWBXSA-N 2 0 328.376 -0.055 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[NH+](C[C@H](O)Cn3cccn3)CC2)C1 ZINC000989665430 808551871 /nfs/dbraw/zinc/55/18/71/808551871.db2.gz FDACTEYRAXJTRG-HOTGVXAUSA-N 2 0 335.452 -0.270 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCN2C(=O)CCC2=O)CC1 ZINC000990244635 808711135 /nfs/dbraw/zinc/71/11/35/808711135.db2.gz OPEBXVMTSQZPOB-AWEZNQCLSA-N 2 0 336.436 -0.190 20 0 EBADRP Cn1ccnc1CCC(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001001974859 809681816 /nfs/dbraw/zinc/68/18/16/809681816.db2.gz DHDXRXZKGGTUIQ-CQSZACIVSA-N 2 0 333.436 -0.121 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001214904955 810289844 /nfs/dbraw/zinc/28/98/44/810289844.db2.gz RMXVSPXPBKWOKT-BZPMIXESSA-N 2 0 341.456 -0.535 20 0 EBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001215421755 810327089 /nfs/dbraw/zinc/32/70/89/810327089.db2.gz KWQSTMAETVFGLH-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215416319 810327345 /nfs/dbraw/zinc/32/73/45/810327345.db2.gz UBGLMHDFKFEXTL-VXGBXAGGSA-N 2 0 339.440 -0.780 20 0 EBADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001215416234 810327852 /nfs/dbraw/zinc/32/78/52/810327852.db2.gz QIQIULXSXGZUKF-CHWSQXEVSA-N 2 0 331.482 -0.191 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215456316 810330007 /nfs/dbraw/zinc/33/00/07/810330007.db2.gz RJRMHARBUUIDPW-VXGBXAGGSA-N 2 0 327.429 -0.780 20 0 EBADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215460970 810331181 /nfs/dbraw/zinc/33/11/81/810331181.db2.gz LMSYJQIQJAUFKD-QLFBSQMISA-N 2 0 331.457 -0.602 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CCCS(=O)(=O)N(C)C ZINC001215462979 810331467 /nfs/dbraw/zinc/33/14/67/810331467.db2.gz DQYPJSCZMNPVGT-ZIAGYGMSSA-N 2 0 348.513 -0.344 20 0 EBADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]CCOCCO ZINC001216094825 810358034 /nfs/dbraw/zinc/35/80/34/810358034.db2.gz JZIUHDDRCPKZQA-GDBMZVCRSA-N 2 0 343.468 -0.457 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001216405122 810372725 /nfs/dbraw/zinc/37/27/25/810372725.db2.gz FQUKLPSXJCXEAL-CHWSQXEVSA-N 2 0 329.466 -0.437 20 0 EBADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216463350 810374964 /nfs/dbraw/zinc/37/49/64/810374964.db2.gz FVQIPOOHEJYUMX-VXGBXAGGSA-N 2 0 327.429 -0.650 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001216845061 810396018 /nfs/dbraw/zinc/39/60/18/810396018.db2.gz VVJHCCZWAKGXFX-UPJWGTAASA-N 2 0 339.440 -0.508 20 0 EBADRP CC(C)C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(OC2C[NH2+]C2)cc1)C(N)=O ZINC001218053228 810474779 /nfs/dbraw/zinc/47/47/79/810474779.db2.gz TVYGAPJLHXZVGD-HOTGVXAUSA-N 2 0 348.447 -0.077 20 0 EBADRP CN1CCN(c2ncccc2NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001218554725 810502700 /nfs/dbraw/zinc/50/27/00/810502700.db2.gz AUYQFWIPYLJOJL-ZDUSSCGKSA-N 2 0 330.436 -0.419 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](C[C@H](O)CN2CCCC2=O)C1 ZINC001015516456 810509460 /nfs/dbraw/zinc/50/94/60/810509460.db2.gz DAAJLHXKKDDHHI-SOUVJXGZSA-N 2 0 338.452 -0.746 20 0 EBADRP Nc1cn(C(=O)C2CC[NH2+]CC2)ccc1=[NH+]CCN1CCOCC1 ZINC001218621546 810512313 /nfs/dbraw/zinc/51/23/13/810512313.db2.gz WSTCNHWZEGSBIX-UHFFFAOYSA-N 2 0 333.436 -0.057 20 0 EBADRP Cc1nc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)cc(N2CCOCC2)n1 ZINC001218621497 810512489 /nfs/dbraw/zinc/51/24/89/810512489.db2.gz VPZCNCLYKKTBCV-GFCCVEGCSA-N 2 0 332.408 -0.631 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1cc(Cl)ncc1CO ZINC001218692987 810520086 /nfs/dbraw/zinc/52/00/86/810520086.db2.gz PEJRRVAIWIGKSG-NSHDSACASA-N 2 0 327.816 -0.084 20 0 EBADRP Nc1cn(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])ccc1=[NH2+] ZINC001218693758 810520420 /nfs/dbraw/zinc/52/04/20/810520420.db2.gz NXIOGVURQMVZCJ-JSGCOSHPSA-N 3 0 334.424 -0.363 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1cc([C@@H]2CCC[NH2+]2)no1 ZINC001218710730 810522476 /nfs/dbraw/zinc/52/24/76/810522476.db2.gz HFMTXUHVAXEUFA-VIFPVBQESA-N 2 0 331.398 -0.742 20 0 EBADRP O=C(Nc1cc([C@H]2CCC[NH2+]2)no1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001218714624 810522797 /nfs/dbraw/zinc/52/27/97/810522797.db2.gz ZTYCEKGKHCTMTQ-VHSXEESVSA-N 2 0 340.405 -0.186 20 0 EBADRP COc1cnc(Cl)c(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)n1 ZINC001218720600 810523798 /nfs/dbraw/zinc/52/37/98/810523798.db2.gz LNNRXZSFCYEQPO-SECBINFHSA-N 2 0 328.804 -0.173 20 0 EBADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218730911 810525405 /nfs/dbraw/zinc/52/54/05/810525405.db2.gz GNENCFAVBLYMNX-HZSPNIEDSA-N 2 0 334.376 -0.088 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]21 ZINC001218814775 810534041 /nfs/dbraw/zinc/53/40/41/810534041.db2.gz WXSHJIASKIBMHU-QLFBSQMISA-N 2 0 338.452 -0.482 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc2c(c1)C(=O)NCCO2 ZINC001218816986 810534436 /nfs/dbraw/zinc/53/44/36/810534436.db2.gz YNPMGUWBNFHLNA-AWEZNQCLSA-N 2 0 347.419 -0.502 20 0 EBADRP O=C(Nc1ccc(N2CCNC(=O)C2)cc1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218874152 810538265 /nfs/dbraw/zinc/53/82/65/810538265.db2.gz UAOSDGTXTYQCBG-AWEZNQCLSA-N 2 0 329.404 -0.630 20 0 EBADRP CN1CC[NH2+]C[C@@H]1C(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218881680 810540459 /nfs/dbraw/zinc/54/04/59/810540459.db2.gz AIAVWVIQSZIKDW-OAHLLOKOSA-N 2 0 331.420 -0.426 20 0 EBADRP CNS(=O)(=O)CCc1ccc(NC(=O)[C@H]([NH3+])CCC[NH3+])cc1 ZINC001218891372 810541359 /nfs/dbraw/zinc/54/13/59/810541359.db2.gz OGORPGXHLICKMI-CYBMUJFWSA-N 2 0 328.438 -0.217 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@@H]3CN(CCOCCO)C[C@@H]32)C1 ZINC001218966076 810549368 /nfs/dbraw/zinc/54/93/68/810549368.db2.gz VCECZQHEHLLTOU-HRCADAONSA-N 2 0 341.452 -0.751 20 0 EBADRP C[NH+](C)CCc1ccc(NC(=O)CN(CC[NH3+])S(C)(=O)=O)cc1 ZINC001219022753 810555902 /nfs/dbraw/zinc/55/59/02/810555902.db2.gz SEOIJHCPRLQWPH-UHFFFAOYSA-N 2 0 342.465 -0.051 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)CC1 ZINC001015655601 810556894 /nfs/dbraw/zinc/55/68/94/810556894.db2.gz UGCDZRBGFBHQST-CYBMUJFWSA-N 2 0 337.424 -0.930 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12 ZINC001219178255 810607850 /nfs/dbraw/zinc/60/78/50/810607850.db2.gz QBANWUKJKWCBLR-LLVKDONJSA-N 2 0 346.391 -0.270 20 0 EBADRP O=C(N[C@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001016000438 810648841 /nfs/dbraw/zinc/64/88/41/810648841.db2.gz BMJNKAAVDAHVHH-GJZGRUSLSA-N 2 0 333.436 -0.470 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@@H](N)CC[NH3+])NC(=O)[C@]21CC[NH2+]C1 ZINC001219500762 810723549 /nfs/dbraw/zinc/72/35/49/810723549.db2.gz ICOCCBAAVGIJIJ-QFYYESIMSA-N 2 0 333.392 -0.507 20 0 EBADRP COC[C@H]([NH3+])C(=O)Nc1cc2c(cc1OC)[C@]1(CC[NH2+]C1)C(=O)N2 ZINC001219500717 810724388 /nfs/dbraw/zinc/72/43/88/810724388.db2.gz HHIIABYVRBIJRX-MGPLVRAMSA-N 2 0 334.376 -0.209 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@]1(N)CC[NH2+]C1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219503363 810725538 /nfs/dbraw/zinc/72/55/38/810725538.db2.gz HUBGIQFCJDCPEW-SJORKVTESA-N 2 0 345.403 -0.492 20 0 EBADRP O=C(Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001219536895 810741730 /nfs/dbraw/zinc/74/17/30/810741730.db2.gz GMGIBZJBGUPXQE-FMSQNYNMSA-N 2 0 328.372 -0.449 20 0 EBADRP O=C(NCCC1(O)C[NH2+]C1)[C@H](c1ccsc1)N1CCC[NH2+]CC1 ZINC001219695808 810799560 /nfs/dbraw/zinc/79/95/60/810799560.db2.gz YZJCGNXONQZZRA-AWEZNQCLSA-N 2 0 338.477 -0.075 20 0 EBADRP O=C(NCCC1(O)C[NH2+]C1)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001219696520 810800073 /nfs/dbraw/zinc/80/00/73/810800073.db2.gz JTCANALTZMCXPF-KDOFPFPSSA-N 2 0 330.432 -0.447 20 0 EBADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)c1ccc(C(=O)NC2CC[NH2+]CC2)cc1 ZINC001219714797 810804926 /nfs/dbraw/zinc/80/49/26/810804926.db2.gz YKKAVZVHAWROMU-HUUCEWRRSA-N 2 0 332.404 -0.769 20 0 EBADRP COc1ccc(CSC[C@H]([NH3+])C(=O)N[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC001219713938 810805443 /nfs/dbraw/zinc/80/54/43/810805443.db2.gz ACRXAYGODITIGX-BFHYXJOUSA-N 2 0 325.434 -0.295 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219736445 810815978 /nfs/dbraw/zinc/81/59/78/810815978.db2.gz CJCYZVQKCHCMJK-XQQFMLRXSA-N 2 0 326.441 -0.641 20 0 EBADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219737201 810817754 /nfs/dbraw/zinc/81/77/54/810817754.db2.gz QLCKXBCJQUGUKX-QWHCGFSZSA-N 2 0 346.435 -0.976 20 0 EBADRP CCOC(=O)C1(C(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)O2)C[NH2+]C1 ZINC001219743790 810820568 /nfs/dbraw/zinc/82/05/68/810820568.db2.gz MBLXUOWCZHNADD-LBPRGKRZSA-N 2 0 325.409 -0.444 20 0 EBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219766203 810831572 /nfs/dbraw/zinc/83/15/72/810831572.db2.gz NNTJHRZLVSMNED-ILXRZTDVSA-N 2 0 325.457 -0.970 20 0 EBADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001219765062 810832011 /nfs/dbraw/zinc/83/20/11/810832011.db2.gz TYWWIAXEIPLJMH-MUQADHOPSA-N 2 0 336.480 -0.055 20 0 EBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC[C@@]2(F)CCC[NH2+]C2)COC1(C)C ZINC001219771304 810834505 /nfs/dbraw/zinc/83/45/05/810834505.db2.gz KVIJQJIMNCEMKA-ZIBATOQPSA-N 2 0 330.404 -0.495 20 0 EBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219799821 810847631 /nfs/dbraw/zinc/84/76/31/810847631.db2.gz DGRRIAOEFIAOEC-RYUDHWBXSA-N 2 0 330.454 -0.975 20 0 EBADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001219801143 810849554 /nfs/dbraw/zinc/84/95/54/810849554.db2.gz UKRWFKCBSDKVQK-BZUAXINKSA-N 2 0 336.480 -0.055 20 0 EBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219802711 810849955 /nfs/dbraw/zinc/84/99/55/810849955.db2.gz AQGXKJMCZFNYGV-SCRDCRAPSA-N 2 0 326.441 -0.639 20 0 EBADRP Cn1ccc(CN2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)[C@@H](O)C2)cc1=O ZINC001219811909 810855903 /nfs/dbraw/zinc/85/59/03/810855903.db2.gz BXPWNOLYFPVWDU-CVEARBPZSA-N 2 0 348.447 -0.469 20 0 EBADRP [NH3+]C1(C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)CCC2(CC1)OCCO2 ZINC001219813364 810858774 /nfs/dbraw/zinc/85/87/74/810858774.db2.gz QYJUYWHWGIRYEA-JSGCOSHPSA-N 2 0 325.409 -0.647 20 0 EBADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1CCSC12C[NH2+]C2 ZINC001219833737 810868948 /nfs/dbraw/zinc/86/89/48/810868948.db2.gz IFFJWVRHPFXLTR-VNHYZAJKSA-N 2 0 341.477 -0.407 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219836692 810871167 /nfs/dbraw/zinc/87/11/67/810871167.db2.gz CLLGYRWTSOFKAC-DVOMOZLQSA-N 2 0 329.441 -0.360 20 0 EBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852086 810879325 /nfs/dbraw/zinc/87/93/25/810879325.db2.gz LJQFBKSWYMWAHP-ZQDZILKHSA-N 2 0 326.441 -0.639 20 0 EBADRP [NH3+][C@@H](C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)C1CCC2(CC1)OCCO2 ZINC001219856470 810880401 /nfs/dbraw/zinc/88/04/01/810880401.db2.gz NVWXOIHTRJWJAD-XJFOESAGSA-N 2 0 325.409 -0.650 20 0 EBADRP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219856354 810880491 /nfs/dbraw/zinc/88/04/91/810880491.db2.gz JLCVRHFVFHFLCB-MROQNXINSA-N 2 0 327.425 -0.071 20 0 EBADRP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001219867313 810888790 /nfs/dbraw/zinc/88/87/90/810888790.db2.gz LXQLQTGINUVVOB-KFWWJZLASA-N 2 0 341.452 -0.969 20 0 EBADRP COCC[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219873992 810890214 /nfs/dbraw/zinc/89/02/14/810890214.db2.gz VBHGKSTYFZHSDS-KGLIPLIRSA-N 2 0 329.441 -0.848 20 0 EBADRP O=C(NCC[NH2+]CCO)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001219919072 810906899 /nfs/dbraw/zinc/90/68/99/810906899.db2.gz WOAGCYDMBVIEDJ-HOTGVXAUSA-N 2 0 348.447 -0.836 20 0 EBADRP CS(=O)(=O)N(C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1ccc(C[NH3+])cc1 ZINC001219939041 810916554 /nfs/dbraw/zinc/91/65/54/810916554.db2.gz PGFZIJONNDKJCK-CYBMUJFWSA-N 3 0 338.433 -0.753 20 0 EBADRP CC(C)(C)OC(=O)C1(NC(=O)[C@]2(N)CC[NH2+]C2)CCC([NH3+])CC1 ZINC001220039731 810957074 /nfs/dbraw/zinc/95/70/74/810957074.db2.gz QQPNFVADWIJLBL-AJQRCPHMSA-N 2 0 326.441 -0.225 20 0 EBADRP C[NH2+]CCNC(=O)c1cccc(S(=O)(=O)NC2CC[NH2+]CC2)c1 ZINC001220059123 810964480 /nfs/dbraw/zinc/96/44/80/810964480.db2.gz IQGQWSMOBWLNGK-UHFFFAOYSA-N 2 0 340.449 -0.334 20 0 EBADRP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220077996 810973091 /nfs/dbraw/zinc/97/30/91/810973091.db2.gz FAUGQCFJHQQJCG-ZNMIVQPWSA-N 2 0 343.468 -0.581 20 0 EBADRP CSCC[C@@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C(C)(C)O ZINC001220145408 811000522 /nfs/dbraw/zinc/00/05/22/811000522.db2.gz BCEHOMRJGRWPSR-QWHCGFSZSA-N 2 0 332.514 -0.254 20 0 EBADRP [NH3+][C@H]1C[C@@H](CNC(=O)c2cnn3c2nccc3[C@@H]2C[NH2+]CCO2)C1 ZINC001220151664 811001808 /nfs/dbraw/zinc/00/18/08/811001808.db2.gz BVGMAOFZJWSZSZ-WDMOLILDSA-N 2 0 330.392 -0.143 20 0 EBADRP N=C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])c1ncc[nH]1 ZINC001220181494 811009042 /nfs/dbraw/zinc/00/90/42/811009042.db2.gz QLQYGAWTMNNZMV-QWRGUYRKSA-N 2 0 335.412 -0.701 20 0 EBADRP CCOC(=O)CC[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])C(=O)OCC ZINC001220231171 811029398 /nfs/dbraw/zinc/02/93/98/811029398.db2.gz XBVRKRYVRAFDFZ-QWRGUYRKSA-N 2 0 349.453 -0.603 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC3(C[NH+](CCN4CCNC4=O)C3)CC2)C1 ZINC001035852585 811041127 /nfs/dbraw/zinc/04/11/27/811041127.db2.gz SCDNMCUAXVMEGG-HNNXBMFYSA-N 2 0 349.479 -0.112 20 0 EBADRP Cn1cc(Br)c(CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001220335728 811059942 /nfs/dbraw/zinc/05/99/42/811059942.db2.gz ROZOXFMSEJIKLO-MRVPVSSYSA-N 2 0 328.214 -0.392 20 0 EBADRP [NH3+]C[C@H](O)C(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220353343 811067641 /nfs/dbraw/zinc/06/76/41/811067641.db2.gz IKMALPYIZRUZBL-ILXRZTDVSA-N 2 0 335.404 -0.119 20 0 EBADRP COC(=O)C[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])C(=O)OC(C)(C)C ZINC001220382505 811083534 /nfs/dbraw/zinc/08/35/34/811083534.db2.gz YNGKBLNIMOLRQH-UWVGGRQHSA-N 2 0 349.453 -0.605 20 0 EBADRP [NH3+][C@@H](CCCCNC(=O)c1ccccn1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC001220429423 811104904 /nfs/dbraw/zinc/10/49/04/811104904.db2.gz RIUFZDJKHROFPF-KGLIPLIRSA-N 2 0 349.435 -0.586 20 0 EBADRP CSc1nc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cc(=O)n1C ZINC001220436383 811107139 /nfs/dbraw/zinc/10/71/39/811107139.db2.gz VHDPKELSFVKSDE-SNVBAGLBSA-N 2 0 340.453 -0.809 20 0 EBADRP NC(=[NH2+])N(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)c1ccc(N2CCOCC2)cc1 ZINC001220460792 811116945 /nfs/dbraw/zinc/11/69/45/811116945.db2.gz YUDSSEHCQIZMIO-KBPBESRZSA-N 2 0 333.392 -0.528 20 0 EBADRP CCS(=O)(=O)c1ccc(CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)cc1 ZINC001220489978 811124848 /nfs/dbraw/zinc/12/48/48/811124848.db2.gz OCFUVGHOIMZHCF-AWEZNQCLSA-N 2 0 337.445 -0.095 20 0 EBADRP CN(CC[NH3+])CCNC(=O)[C@H]([NH3+])CCC(=O)OCc1ccccc1 ZINC001220517330 811134645 /nfs/dbraw/zinc/13/46/45/811134645.db2.gz HEYUXALVFHVIDJ-OAHLLOKOSA-N 2 0 336.436 -0.156 20 0 EBADRP CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220567605 811158358 /nfs/dbraw/zinc/15/83/58/811158358.db2.gz HFNFPKCQYDPUNR-CABCVRRESA-N 2 0 334.420 -0.001 20 0 EBADRP COCCCC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220638231 811185060 /nfs/dbraw/zinc/18/50/60/811185060.db2.gz XLYRPUCLKOOSFV-CVEARBPZSA-N 2 0 343.468 -0.315 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCc3ncnn32)C[C@@H]1O ZINC001220688293 811201853 /nfs/dbraw/zinc/20/18/53/811201853.db2.gz DUXCBRDHCYDYAC-MJBXVCDLSA-N 2 0 336.440 -0.732 20 0 EBADRP COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220770196 811236561 /nfs/dbraw/zinc/23/65/61/811236561.db2.gz VOPMRFLGRYNHSI-UONOGXRCSA-N 2 0 349.435 -0.505 20 0 EBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220788097 811242325 /nfs/dbraw/zinc/24/23/25/811242325.db2.gz BUGMUFFCBKINIW-IJEWVQPXSA-N 2 0 331.420 -0.283 20 0 EBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220805482 811247648 /nfs/dbraw/zinc/24/76/48/811247648.db2.gz SEBNNOFPHRQOAM-MMWGEVLESA-N 2 0 336.358 -0.019 20 0 EBADRP COCCOCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220806898 811248060 /nfs/dbraw/zinc/24/80/60/811248060.db2.gz LSFMTZRKHHAJKE-CABCVRRESA-N 2 0 331.457 -0.457 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001220830727 811261339 /nfs/dbraw/zinc/26/13/39/811261339.db2.gz GMVKCLURSZFBKA-XHSDSOJGSA-N 2 0 343.468 -0.315 20 0 EBADRP [NH3+]Cc1ccccc1CNC(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001220852917 811266382 /nfs/dbraw/zinc/26/63/82/811266382.db2.gz CPZVSJFVESBNCZ-AWEZNQCLSA-N 2 0 341.419 -0.301 20 0 EBADRP CCOC(=O)C1(NC(=O)C[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)C[NH2+]C1 ZINC001220851395 811266593 /nfs/dbraw/zinc/26/65/93/811266593.db2.gz UYGRTRPJTNDPMS-IUODEOHRSA-N 2 0 325.409 -0.444 20 0 EBADRP CCOC(=O)C1(NC(=O)[C@@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)C[NH2+]C1 ZINC001220851521 811266919 /nfs/dbraw/zinc/26/69/19/811266919.db2.gz YVEXACAHEXZGGY-CYBMUJFWSA-N 3 0 338.452 -0.528 20 0 EBADRP N[C@@]1(C(=O)n2cc(Br)ccc2=NCC[NH3+])CC[NH2+]C1 ZINC001220870462 811276078 /nfs/dbraw/zinc/27/60/78/811276078.db2.gz KTPTYFFMLFHEPO-LBPRGKRZSA-N 2 0 328.214 -0.559 20 0 EBADRP O=C(CNC(=O)[C@H]1[NH2+]CC[C@@H]1O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220900266 811286442 /nfs/dbraw/zinc/28/64/42/811286442.db2.gz FTXWMUBXIAJYOV-HOCLYGCPSA-N 2 0 338.452 -0.698 20 0 EBADRP O=C(N[C@@H]1CCC[NH2+]C1)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1 ZINC001220898478 811286962 /nfs/dbraw/zinc/28/69/62/811286962.db2.gz LEIRTFYHVCUNGQ-RISCZKNCSA-N 2 0 330.392 -0.128 20 0 EBADRP N[C@@]1(C(=O)NCC(=O)N2CC[NH+](C3CCCCC3)CC2)CC[NH2+]C1 ZINC001220900519 811287320 /nfs/dbraw/zinc/28/73/20/811287320.db2.gz LYXQDXTYBVPTNW-KRWDZBQOSA-N 2 0 337.468 -0.730 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC001220920769 811294343 /nfs/dbraw/zinc/29/43/43/811294343.db2.gz MWHAVNHHWDJYET-OLZOCXBDSA-N 2 0 337.449 -0.569 20 0 EBADRP Nc1ccc([C@H](CCO)NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cc1 ZINC001220955976 811311026 /nfs/dbraw/zinc/31/10/26/811311026.db2.gz SOKQWLDNUCEKJJ-CVEARBPZSA-N 2 0 335.452 -0.441 20 0 EBADRP [NH3+]C[C@H](O)CC(=O)N1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001220968824 811316335 /nfs/dbraw/zinc/31/63/35/811316335.db2.gz FAVIIVYSHGRXPR-CQSZACIVSA-N 2 0 334.420 -0.668 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001220972644 811316620 /nfs/dbraw/zinc/31/66/20/811316620.db2.gz JBSTUCSJYVNRRW-UHFFFAOYSA-N 2 0 346.497 -0.283 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)C[NH+]2CCCC2)nc1=O ZINC001037127716 811371484 /nfs/dbraw/zinc/37/14/84/811371484.db2.gz XCKRMMSVZPAOKI-CHWSQXEVSA-N 2 0 336.440 -0.421 20 0 EBADRP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001221114381 811383855 /nfs/dbraw/zinc/38/38/55/811383855.db2.gz XNTDBLONVZJJTA-KSSFIOAISA-N 2 0 329.448 -0.230 20 0 EBADRP COCCC1([NH3+])CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001221136634 811387741 /nfs/dbraw/zinc/38/77/41/811387741.db2.gz RVMWPPDJHSEVQM-AWEZNQCLSA-N 3 0 327.473 -0.907 20 0 EBADRP [NH3+][C@H]1CC[C@@H]1C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148788 811392936 /nfs/dbraw/zinc/39/29/36/811392936.db2.gz PBJNGQWBTMVKNF-KBPBESRZSA-N 2 0 338.433 -0.330 20 0 EBADRP COCCOc1nccc(CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)n1 ZINC001221158220 811396253 /nfs/dbraw/zinc/39/62/53/811396253.db2.gz VELAIFRPPVUKKN-CQSZACIVSA-N 2 0 349.435 -0.008 20 0 EBADRP CC(C)CN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221187849 811410012 /nfs/dbraw/zinc/41/00/12/811410012.db2.gz HZTZEMGMRNOKRG-XUXIUFHCSA-N 2 0 328.457 -0.435 20 0 EBADRP COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001221256905 811428098 /nfs/dbraw/zinc/42/80/98/811428098.db2.gz QWHGOZOKSHJCPO-JSGCOSHPSA-N 2 0 339.440 -0.143 20 0 EBADRP Cn1ncc2c1cccc2CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001221305709 811437478 /nfs/dbraw/zinc/43/74/78/811437478.db2.gz GVVARXSVMTWGGS-OAHLLOKOSA-N 2 0 330.436 -0.060 20 0 EBADRP COC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001221339470 811444975 /nfs/dbraw/zinc/44/49/75/811444975.db2.gz HTUPLWKBMHKGTK-NWDGAFQWSA-N 2 0 326.422 -0.699 20 0 EBADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221365498 811446558 /nfs/dbraw/zinc/44/65/58/811446558.db2.gz DTRQRGIFAQPECA-GRYCIOLGSA-N 2 0 338.387 -0.870 20 0 EBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](C)[C@H]1NC(=O)[C@@H]1[C@@H](C)O ZINC001221392225 811449051 /nfs/dbraw/zinc/44/90/51/811449051.db2.gz UEVDQABZDYSNLU-DDHJBXDOSA-N 2 0 327.429 -0.818 20 0 EBADRP CN(C)C(=O)c1ccc(CCNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)cc1 ZINC001221391894 811449596 /nfs/dbraw/zinc/44/95/96/811449596.db2.gz FDAWLAAVFGJBPG-HNNXBMFYSA-N 2 0 330.432 -0.144 20 0 EBADRP Cn1ncc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c(Br)c1=O ZINC001221401941 811450434 /nfs/dbraw/zinc/45/04/34/811450434.db2.gz RRORQNPPQBCRFV-SSDOTTSWSA-N 2 0 342.197 -0.710 20 0 EBADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001221398285 811450782 /nfs/dbraw/zinc/45/07/82/811450782.db2.gz WJTGPIJDBZIZRR-GJZGRUSLSA-N 2 0 349.456 -0.406 20 0 EBADRP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@H+](CCOCCO)C[C@H]32)CC1 ZINC001221772379 811530894 /nfs/dbraw/zinc/53/08/94/811530894.db2.gz XLTVEFBKOCUIIX-HUUCEWRRSA-N 2 0 325.453 -0.130 20 0 EBADRP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21 ZINC001221946890 811568172 /nfs/dbraw/zinc/56/81/72/811568172.db2.gz HRCXXWIFQTZYRQ-HUUCEWRRSA-N 2 0 329.441 -0.894 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](CC(=O)NC(N)=O)CC2)CC[N@@H+]1C ZINC001223238454 811691136 /nfs/dbraw/zinc/69/11/36/811691136.db2.gz CFPNHTHEZYOSDY-DGCLKSJQSA-N 2 0 339.440 -0.650 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001224546623 811765019 /nfs/dbraw/zinc/76/50/19/811765019.db2.gz OBXXZGFORRGMQV-YPMHNXCESA-N 2 0 339.440 -0.793 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCC2CC[NH+](CC(N)=O)CC2)CC1 ZINC001225019434 811788076 /nfs/dbraw/zinc/78/80/76/811788076.db2.gz FZYMUAANSWDYAL-UHFFFAOYSA-N 2 0 326.441 -0.589 20 0 EBADRP CNC(=O)[C@H](C)[NH+]1CCC(CNC(=O)COCC[NH+](C)C)CC1 ZINC001225162879 811796987 /nfs/dbraw/zinc/79/69/87/811796987.db2.gz NDJAFXJWVDVHLU-ZDUSSCGKSA-N 2 0 328.457 -0.473 20 0 EBADRP C[C@@H](C(=O)N(C)C)[NH+]1CCC(CNC(=O)COCC[NH+](C)C)CC1 ZINC001225162549 811797484 /nfs/dbraw/zinc/79/74/84/811797484.db2.gz HLHCDZFDCSBGAA-AWEZNQCLSA-N 2 0 342.484 -0.131 20 0 EBADRP CC[C@H](C(N)=O)[NH+]1CCC(CNC(=O)COCC[NH+](C)C)CC1 ZINC001225162904 811797550 /nfs/dbraw/zinc/79/75/50/811797550.db2.gz NKWCAULXWAOPGW-CQSZACIVSA-N 2 0 328.457 -0.343 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC1CC[NH+](CCOCCO)CC1 ZINC001225162274 811797625 /nfs/dbraw/zinc/79/76/25/811797625.db2.gz DJVBKJHPRHCKCG-UHFFFAOYSA-N 2 0 331.457 -0.598 20 0 EBADRP CCN(C(=O)C[N@H+](C)C(C)C)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001079930598 811803937 /nfs/dbraw/zinc/80/39/37/811803937.db2.gz VNBLCQMFUNXUGU-UHFFFAOYSA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001225427275 811808771 /nfs/dbraw/zinc/80/87/71/811808771.db2.gz NTCOMXFTRIRDEK-YPMHNXCESA-N 2 0 339.440 -0.650 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001226323190 811860228 /nfs/dbraw/zinc/86/02/28/811860228.db2.gz IQMCTICCSMFTOZ-FDYHWXHSSA-N 2 0 339.440 -0.462 20 0 EBADRP C[NH+](C)[C@H](C(=O)NC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1)C1CC1 ZINC001227817871 811944082 /nfs/dbraw/zinc/94/40/82/811944082.db2.gz NSQOAHXQLYKYIB-HIFRSBDPSA-N 2 0 336.436 -0.288 20 0 EBADRP CC[C@H](C(=O)NC1CC[NH+](CCN2CCNC2=O)CC1)[NH+](C)C ZINC001227979479 811954143 /nfs/dbraw/zinc/95/41/43/811954143.db2.gz HPIAAANZMVJDMH-CQSZACIVSA-N 2 0 325.457 -0.068 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001229524922 812038337 /nfs/dbraw/zinc/03/83/37/812038337.db2.gz SGAOUXCJUIRACH-YNEHKIRRSA-N 2 0 341.456 -0.071 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1=O ZINC001229711085 812050558 /nfs/dbraw/zinc/05/05/58/812050558.db2.gz VIEXVFWWKSEZPM-MCIONIFRSA-N 2 0 326.441 -0.530 20 0 EBADRP COC[C@@H](O)C[NH+]1CCC(NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001229807438 812057143 /nfs/dbraw/zinc/05/71/43/812057143.db2.gz SZYQXYCPCARSGZ-HNNXBMFYSA-N 2 0 343.468 -0.315 20 0 EBADRP CC[N@H+](C)CCC(=O)NC1CC[NH+](CCN(C)S(C)(=O)=O)CC1 ZINC001229896054 812061060 /nfs/dbraw/zinc/06/10/60/812061060.db2.gz TXFSPLXLSKWSQG-UHFFFAOYSA-N 2 0 348.513 -0.200 20 0 EBADRP C[C@H](C(=O)NC1CC1)[NH+]1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001230034401 812071887 /nfs/dbraw/zinc/07/18/87/812071887.db2.gz KMPVWSMJOOPAME-CYBMUJFWSA-N 2 0 340.468 -0.188 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC(N)=O ZINC001230274999 812096992 /nfs/dbraw/zinc/09/69/92/812096992.db2.gz XSVGQNAUYOZNFT-JHJVBQTASA-N 2 0 341.456 -0.073 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC(CO)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001080865123 812302714 /nfs/dbraw/zinc/30/27/14/812302714.db2.gz KLBIGTCQTZOJRN-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC(CO)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001080866465 812305050 /nfs/dbraw/zinc/30/50/50/812305050.db2.gz LDDNDGQTKZMHLR-UHFFFAOYSA-N 2 0 340.468 -0.496 20 0 EBADRP Cn1cc(CN2CC[NH+](CC3CC[NH+](C)CC3)CC2)c(=O)n(C)c1=O ZINC001231771456 812308740 /nfs/dbraw/zinc/30/87/40/812308740.db2.gz SROOVGLGFDTBDZ-UHFFFAOYSA-N 2 0 349.479 -0.457 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC(CO)(NC(=O)CC[NH+](C)C)CC1 ZINC001080989549 812429141 /nfs/dbraw/zinc/42/91/41/812429141.db2.gz ZQFUIVOSBQNROA-UHFFFAOYSA-N 2 0 342.484 -0.252 20 0 EBADRP COC(=O)[C@@H]1C[NH2+]CCN1Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001236057031 812515396 /nfs/dbraw/zinc/51/53/96/812515396.db2.gz XGNNYVYFSGXZHB-HNNXBMFYSA-N 2 0 333.436 -0.220 20 0 EBADRP COCCn1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cn1 ZINC001236311028 812516746 /nfs/dbraw/zinc/51/67/46/812516746.db2.gz OSLQUYGZXPHZKV-UHFFFAOYSA-N 2 0 326.445 -0.855 20 0 EBADRP CSc1nccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])n1 ZINC001236310122 812516977 /nfs/dbraw/zinc/51/69/77/812516977.db2.gz AEQSQUXTCQXMGK-UHFFFAOYSA-N 2 0 326.470 -0.186 20 0 EBADRP COC(=O)c1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])nc1 ZINC001236309954 812517060 /nfs/dbraw/zinc/51/70/60/812517060.db2.gz SXQCOHQILAEJEB-UHFFFAOYSA-N 2 0 337.424 -0.516 20 0 EBADRP CCOC(=O)c1[nH]ccc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236311917 812517145 /nfs/dbraw/zinc/51/71/45/812517145.db2.gz XMHYOAWJIMNOSL-UHFFFAOYSA-N 2 0 339.440 -0.193 20 0 EBADRP COC(=O)c1cccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])n1 ZINC001236311868 812517253 /nfs/dbraw/zinc/51/72/53/812517253.db2.gz KYHXJVGHRTWEBG-UHFFFAOYSA-N 2 0 337.424 -0.516 20 0 EBADRP C[C@H]1CNCC(F)(F)[C@@H]1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236308518 812517376 /nfs/dbraw/zinc/51/73/76/812517376.db2.gz GAVJVOOSTXCGAF-QWHCGFSZSA-N 2 0 335.443 -0.407 20 0 EBADRP C(C[N@H+](CC1CC[NH2+]CC1)C[C@@H]1CNCCO1)N1CCOCC1 ZINC001236399646 812517995 /nfs/dbraw/zinc/51/79/95/812517995.db2.gz PKTZYRYQRFOUKW-KRWDZBQOSA-N 2 0 326.485 -0.391 20 0 EBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001238329019 812525995 /nfs/dbraw/zinc/52/59/95/812525995.db2.gz SDSMONIOZZEYGJ-GJZGRUSLSA-N 2 0 347.481 -0.700 20 0 EBADRP O=S(=O)(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)C1CC[NH2+]CC1 ZINC001238326351 812526280 /nfs/dbraw/zinc/52/62/80/812526280.db2.gz KOOOKAZHMZHEQQ-OCCSQVGLSA-N 2 0 333.454 -0.947 20 0 EBADRP O=S(=O)(CC1CC[NH2+]CC1)NC1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001238812478 812531887 /nfs/dbraw/zinc/53/18/87/812531887.db2.gz QNULVMYWWWUZIR-HNNXBMFYSA-N 2 0 330.498 -0.268 20 0 EBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCNC[C@@]2(CCCC[NH2+]2)C1 ZINC001239015666 812538924 /nfs/dbraw/zinc/53/89/24/812538924.db2.gz DREKHMBYXXDBQY-HNNXBMFYSA-N 2 0 330.498 -0.267 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1cccc(F)c1 ZINC001239130999 812547393 /nfs/dbraw/zinc/54/73/93/812547393.db2.gz IZGSBZGDGYTLFW-UHFFFAOYSA-N 2 0 346.428 -0.370 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(S(=O)(=O)C1CC[NH2+]CC1)CC2 ZINC001239173506 812549773 /nfs/dbraw/zinc/54/97/73/812549773.db2.gz RMMBZODDRHPQQZ-OCCSQVGLSA-N 2 0 331.438 -0.705 20 0 EBADRP [NH3+][C@H]1CCN(C2CCN(S(=O)(=O)CC3CC[NH2+]CC3)CC2)C1 ZINC001239163140 812550211 /nfs/dbraw/zinc/55/02/11/812550211.db2.gz QCJHUQNSAIHOKY-AWEZNQCLSA-N 2 0 330.498 -0.187 20 0 EBADRP COC(=O)[C@H](COC(C)(C)C)NC(=O)NCCC[NH2+]CCC[NH3+] ZINC001239252477 812550810 /nfs/dbraw/zinc/55/08/10/812550810.db2.gz DSEYXQVJDXMPQX-LBPRGKRZSA-N 2 0 332.445 -0.029 20 0 EBADRP CC[NH+](CC)CCCNC(=S)N1CCNCC[NH2+]CCNCC1 ZINC001239438529 812552496 /nfs/dbraw/zinc/55/24/96/812552496.db2.gz MXSGWRCPEHRQLE-UHFFFAOYSA-N 2 0 344.573 -0.323 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@H]1CCOC12C[NH2+]C2 ZINC001245988365 812558204 /nfs/dbraw/zinc/55/82/04/812558204.db2.gz VMZAFFCOLRVCLW-RRFJBIMHSA-N 2 0 327.375 -0.084 20 0 EBADRP [NH3+]CC1CN([C@@H]2CCC[N@H+](C[C@@H](O)CC3(O)CC[NH2+]CC3)C2)C1 ZINC001246047264 812560491 /nfs/dbraw/zinc/56/04/91/812560491.db2.gz CPZKUKANNVKGKT-CVEARBPZSA-N 3 0 326.485 -0.793 20 0 EBADRP CCOC(=O)C1(N)CC[NH+](C[C@@H](O)CC2(O)CC[NH2+]CC2)CC1 ZINC001246047961 812560983 /nfs/dbraw/zinc/56/09/83/812560983.db2.gz GAKHDNFICWTNLJ-ZDUSSCGKSA-N 2 0 329.441 -0.792 20 0 EBADRP O[C@H](C[NH+]1CCC(N2CC[NH2+]CC2)CC1)CC1(O)CC[NH2+]CC1 ZINC001246050375 812561361 /nfs/dbraw/zinc/56/13/61/812561361.db2.gz GBYZWJWQAYLHKF-INIZCTEOSA-N 3 0 326.485 -0.779 20 0 EBADRP C[NH+](C)CCN(C[C@@H](O)CC1(O)CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001246061728 812562541 /nfs/dbraw/zinc/56/25/41/812562541.db2.gz ZYPPRARYQJXFAU-HOTGVXAUSA-N 3 0 328.501 -0.533 20 0 EBADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2(C(=O)OC)CC[NH2+]CC2)CN1 ZINC001246095884 812564551 /nfs/dbraw/zinc/56/45/51/812564551.db2.gz GVNMDZRROLGTSJ-OLZOCXBDSA-N 2 0 327.425 -0.198 20 0 EBADRP O=C([C@@H]1C[C@H]([NH2+]CC[C@H]2CCOC23C[NH2+]C3)CN1)N1CCSC1 ZINC001246139483 812565725 /nfs/dbraw/zinc/56/57/25/812565725.db2.gz UVFBMUJLTQWFNW-IHRRRGAJSA-N 2 0 340.493 -0.392 20 0 EBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CN1 ZINC001246141226 812566489 /nfs/dbraw/zinc/56/64/89/812566489.db2.gz CYMRXOOLNDNBBW-YXWQFLTLSA-N 2 0 327.425 -0.735 20 0 EBADRP COC(=O)[C@H]1C[C@@H]([NH2+]CCCOCCOCCOCCC[NH3+])CN1 ZINC001246200455 812568762 /nfs/dbraw/zinc/56/87/62/812568762.db2.gz ARAIHVBGKZEOTO-HUUCEWRRSA-N 2 0 347.456 -0.732 20 0 EBADRP CNC(=O)[C@H](CCCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)NC(C)=O ZINC001246403815 812571882 /nfs/dbraw/zinc/57/18/82/812571882.db2.gz DQXIJGOTWGJSBF-KBPBESRZSA-N 2 0 325.457 -0.909 20 0 EBADRP O=C([C@@H]1C[C@H](N[C@H]2C[C@@H]3COC[C@H](C2)[NH2+]3)C[NH2+]1)N1CCSC1 ZINC001246393358 812571887 /nfs/dbraw/zinc/57/18/87/812571887.db2.gz YIZWDNFXHUDVIK-HPCHECBXSA-N 2 0 326.466 -0.641 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])N[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246511963 812575027 /nfs/dbraw/zinc/57/50/27/812575027.db2.gz KEVVMSGWUVAJMV-AGIUHOORSA-N 2 0 343.497 -0.917 20 0 EBADRP O=C([C@@H]1C[C@H](N2CC[C@@H]3[NH2+]CCO[C@H]3C2)C[NH2+]1)N1CCSC1 ZINC001246621519 812577109 /nfs/dbraw/zinc/57/71/09/812577109.db2.gz CRRQNMYPQPBBLY-XUXIUFHCSA-N 2 0 326.466 -0.688 20 0 EBADRP Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3[C@H]2CCNC3(C[NH2+]C3)C2)cn1 ZINC001246713893 812583488 /nfs/dbraw/zinc/58/34/88/812583488.db2.gz KTRNZAQRXMZKBR-AEGPPILISA-N 2 0 330.436 -0.306 20 0 EBADRP CS(=O)(=O)N(Cc1cnc2n1CC[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC001246740237 812584637 /nfs/dbraw/zinc/58/46/37/812584637.db2.gz VQWZORAJUPVGDF-GFCCVEGCSA-N 2 0 327.454 -0.458 20 0 EBADRP CCOC(=O)CN1CCC(N2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001246817931 812588685 /nfs/dbraw/zinc/58/86/85/812588685.db2.gz BGMJPUWZBFSYPF-UHFFFAOYSA-N 2 0 341.500 -0.902 20 0 EBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C1 ZINC001246799888 812589169 /nfs/dbraw/zinc/58/91/69/812589169.db2.gz UVZXLOJZVQPADJ-LPWJVIDDSA-N 2 0 342.465 -0.928 20 0 EBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C1 ZINC001246799898 812589290 /nfs/dbraw/zinc/58/92/90/812589290.db2.gz UVZXLOJZVQPADJ-XQHKEYJVSA-N 2 0 342.465 -0.928 20 0 EBADRP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])C1CCC2(CC1)C[NH2+]CCO2 ZINC001246918895 812592125 /nfs/dbraw/zinc/59/21/25/812592125.db2.gz HFMQBIGCUUDBIO-UHFFFAOYSA-N 3 0 341.500 -0.597 20 0 EBADRP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])[C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001246925102 812593023 /nfs/dbraw/zinc/59/30/23/812593023.db2.gz LKVPRMGQEZOVTF-UONOGXRCSA-N 2 0 338.460 -0.727 20 0 EBADRP CCOC(=O)[C@@H]1CC[C@@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])C1 ZINC001246925553 812593363 /nfs/dbraw/zinc/59/33/63/812593363.db2.gz NLXQBFXUNKGVPQ-ZIAGYGMSSA-N 3 0 328.457 -0.166 20 0 EBADRP c1cc(-c2noc([C@H]3COC4(C[NH2+]C4)CN3)n2)nc2c1C[NH2+]CC2 ZINC001247861346 812603314 /nfs/dbraw/zinc/60/33/14/812603314.db2.gz MPCILAUNIAFYID-CYBMUJFWSA-N 2 0 328.376 -0.220 20 0 EBADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H](O)CN2CCOCC2)CC1 ZINC001251041817 812619672 /nfs/dbraw/zinc/61/96/72/812619672.db2.gz OIEJHYQIDFJNGR-BZUAXINKSA-N 2 0 342.484 -0.742 20 0 EBADRP C[C@@H]1O[C@@H](OCC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](O)[C@H](O)[C@@H]1O ZINC001255675130 812720362 /nfs/dbraw/zinc/72/03/62/812720362.db2.gz CFHYXOQPLZOIBI-FTGVRMDQSA-N 2 0 344.452 -0.565 20 0 EBADRP CCOC(=O)CNC(=O)C[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256679068 812736858 /nfs/dbraw/zinc/73/68/58/812736858.db2.gz BAMFULZTXGHYSB-UHFFFAOYSA-N 2 0 327.425 -0.101 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC001256944142 812744556 /nfs/dbraw/zinc/74/45/56/812744556.db2.gz NJOZGDJNMSBNDL-OAHLLOKOSA-N 2 0 337.468 -0.909 20 0 EBADRP COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+]CCN1CC[NH+](C)CC1 ZINC001257913040 812773224 /nfs/dbraw/zinc/77/32/24/812773224.db2.gz IPLRHVDBPMVTFH-AWEZNQCLSA-N 2 0 349.497 -0.420 20 0 EBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC2)CC1 ZINC001262070208 813032870 /nfs/dbraw/zinc/03/28/70/813032870.db2.gz UNWFMXNUPOCDJT-UHFFFAOYSA-N 2 0 325.457 -0.922 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001081498717 813072129 /nfs/dbraw/zinc/07/21/29/813072129.db2.gz DOQUTNNRTBAWFR-HUUCEWRRSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001262542107 813090986 /nfs/dbraw/zinc/09/09/86/813090986.db2.gz QGGWSOPLTDJXRI-WOSRLPQWSA-N 2 0 326.441 -0.712 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001262592974 813098170 /nfs/dbraw/zinc/09/81/70/813098170.db2.gz GNEITTDDSDHZPT-OAHLLOKOSA-N 2 0 327.473 -0.308 20 0 EBADRP C[C@@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C[C@@H](O)C[NH2+]1 ZINC001263103973 813106761 /nfs/dbraw/zinc/10/67/61/813106761.db2.gz RZFCCBRFRBHJQG-AEFFLSMTSA-N 3 0 347.463 -0.177 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001081553919 813168617 /nfs/dbraw/zinc/16/86/17/813168617.db2.gz PBUYXFBFYRMPNV-LSDHHAIUSA-N 2 0 342.484 -0.396 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001265068977 813233755 /nfs/dbraw/zinc/23/37/55/813233755.db2.gz WOQZFPAOXVMVIN-CHWSQXEVSA-N 2 0 341.456 -0.390 20 0 EBADRP CC(C)(C(=O)NCCCN1CC[NH+](CCO)CC1)[NH+]1CCCC1 ZINC001265247372 813274034 /nfs/dbraw/zinc/27/40/34/813274034.db2.gz IABLZUURJWEKAU-UHFFFAOYSA-N 2 0 326.485 -0.023 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001265895843 813407537 /nfs/dbraw/zinc/40/75/37/813407537.db2.gz TWHMLTLWZOJIKE-QWHCGFSZSA-N 2 0 337.424 -0.787 20 0 EBADRP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NC1CCOCC1 ZINC001265971325 813429700 /nfs/dbraw/zinc/42/97/00/813429700.db2.gz JJBMMONUYMAYHU-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCCS(C)(=O)=O)C1 ZINC001266004369 813437234 /nfs/dbraw/zinc/43/72/34/813437234.db2.gz DCOQUGASXCXHBZ-ZIAGYGMSSA-N 2 0 331.482 -0.047 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001081700947 813438350 /nfs/dbraw/zinc/43/83/50/813438350.db2.gz NTYMEAQATUAQTE-KGLIPLIRSA-N 2 0 340.468 -0.785 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081701565 813440633 /nfs/dbraw/zinc/44/06/33/813440633.db2.gz XHFPEFNKYYEMEO-LSDHHAIUSA-N 2 0 342.484 -0.395 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC(=O)NC(N)=O ZINC001266204877 813478161 /nfs/dbraw/zinc/47/81/61/813478161.db2.gz ZMZCETGZXJIWMI-CHWSQXEVSA-N 2 0 339.440 -0.364 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081731932 813486037 /nfs/dbraw/zinc/48/60/37/813486037.db2.gz AKQYGRFVZKXDEP-KBPBESRZSA-N 2 0 328.457 -0.785 20 0 EBADRP C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081732318 813486674 /nfs/dbraw/zinc/48/66/74/813486674.db2.gz GKFOSTWEXMCKQE-UONOGXRCSA-N 2 0 328.457 -0.785 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1O ZINC001081732644 813487952 /nfs/dbraw/zinc/48/79/52/813487952.db2.gz JLXUOIWQUZTVAP-KBPBESRZSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001081733171 813488800 /nfs/dbraw/zinc/48/88/00/813488800.db2.gz PXUVWJAOGMTXJD-ZIAGYGMSSA-N 2 0 328.457 -0.785 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1O ZINC001081736014 813494512 /nfs/dbraw/zinc/49/45/12/813494512.db2.gz SAUPNUXZWJXEEI-UKRRQHHQSA-N 2 0 340.468 -0.642 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001081774394 813541783 /nfs/dbraw/zinc/54/17/83/813541783.db2.gz OJKHMELJFAVUEM-LSDHHAIUSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001266639870 813630054 /nfs/dbraw/zinc/63/00/54/813630054.db2.gz JTVWXKIXZPRKBD-MGPQQGTHSA-N 2 0 346.497 -0.353 20 0 EBADRP CN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001266744679 813659276 /nfs/dbraw/zinc/65/92/76/813659276.db2.gz SKEUXTRUEDWCOZ-GFCCVEGCSA-N 2 0 325.413 -0.930 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]CC(=O)NC(=O)NC)C1 ZINC001266812886 813676577 /nfs/dbraw/zinc/67/65/77/813676577.db2.gz ALPKOACSCYFRBZ-CYBMUJFWSA-N 2 0 341.456 -0.388 20 0 EBADRP CS(=O)(=O)CC[NH2+]C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001266817879 813677929 /nfs/dbraw/zinc/67/79/29/813677929.db2.gz UNWOURUVODEBJR-CQSZACIVSA-N 2 0 343.493 -0.045 20 0 EBADRP O=C(NCC[NH2+]CCO)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267002603 813730240 /nfs/dbraw/zinc/73/02/40/813730240.db2.gz PJKBPHOBEJUTMT-CQSZACIVSA-N 2 0 338.452 -0.981 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC[NH2+]CC(=O)N1CCOCC1 ZINC001267110012 813762512 /nfs/dbraw/zinc/76/25/12/813762512.db2.gz PHIJRROYEDTDOS-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H](C[NH2+]CCN(C)C(=O)C12CC[NH+](CC1)C2)CS(C)(=O)=O ZINC001267456829 813902241 /nfs/dbraw/zinc/90/22/41/813902241.db2.gz LBAGKDZXHSHUGC-CYBMUJFWSA-N 2 0 331.482 -0.189 20 0 EBADRP CN(CC[NH2+]CCN1CCCS1(=O)=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267469613 813907954 /nfs/dbraw/zinc/90/79/54/813907954.db2.gz NKFAWAUFKMPTPC-CYBMUJFWSA-N 2 0 332.470 -0.978 20 0 EBADRP CC(C)[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NC(N)=O ZINC001267506057 813918102 /nfs/dbraw/zinc/91/81/02/813918102.db2.gz VHTRAIKWMMLAGS-GFCCVEGCSA-N 2 0 327.429 -0.508 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001082589200 813974028 /nfs/dbraw/zinc/97/40/28/813974028.db2.gz OBTOQNNJQNTNBP-JHJVBQTASA-N 2 0 339.440 -0.685 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C)C(N)=O ZINC001082592040 813974577 /nfs/dbraw/zinc/97/45/77/813974577.db2.gz KFOOAGMUMSKGIS-MGPQQGTHSA-N 2 0 340.468 -0.345 20 0 EBADRP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCN1C(=O)CCC1=O ZINC001267803548 814045332 /nfs/dbraw/zinc/04/53/32/814045332.db2.gz BGJMORNNPNLZHE-MGPQQGTHSA-N 2 0 338.452 -0.040 20 0 EBADRP CS(=O)(=O)NCC[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001267970152 814080418 /nfs/dbraw/zinc/08/04/18/814080418.db2.gz KLCINFTZNPUGIY-CYBMUJFWSA-N 2 0 332.470 -0.788 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CCn2cc(Cl)cn2)C1 ZINC001268336618 814216125 /nfs/dbraw/zinc/21/61/25/814216125.db2.gz VAUZKYBPQJENOX-DGCLKSJQSA-N 2 0 329.832 -0.445 20 0 EBADRP CCN(CC[NH2+]CCN1CCNC1=O)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268451635 814247055 /nfs/dbraw/zinc/24/70/55/814247055.db2.gz NOORHYSNRJMWFB-ZIAGYGMSSA-N 2 0 325.457 -0.210 20 0 EBADRP C[C@H]([NH2+]C/C=C/CNC(=O)COC1CC[NH+](C)CC1)C(=O)N(C)C ZINC001268606996 814315615 /nfs/dbraw/zinc/31/56/15/814315615.db2.gz RUKWWHCSZOKZLG-GJBLVYBDSA-N 2 0 340.468 -0.164 20 0 EBADRP O=C(C[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2)Nc1cnccn1 ZINC001268612107 814318767 /nfs/dbraw/zinc/31/87/67/814318767.db2.gz DADYDONZSAZRIJ-UPHRSURJSA-N 2 0 344.419 -0.227 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC/C=C\C[NH2+]CC(=O)N(C)C ZINC001268625993 814325215 /nfs/dbraw/zinc/32/52/15/814325215.db2.gz XBANYIUNQYUPFX-WSNITJDQSA-N 2 0 326.441 -0.695 20 0 EBADRP CN(CCC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001268792670 814388204 /nfs/dbraw/zinc/38/82/04/814388204.db2.gz AOQMLLMSRWSBTA-CYBMUJFWSA-N 2 0 336.440 -0.612 20 0 EBADRP CC(C)=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654942 814664915 /nfs/dbraw/zinc/66/49/15/814664915.db2.gz NFBOIAPSRWLJDV-PLQZLIEUSA-N 2 0 335.448 -0.023 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@@H]2O)CC1 ZINC001083749621 814754414 /nfs/dbraw/zinc/75/44/14/814754414.db2.gz IXYROTZURGCZNA-BMFZPTHFSA-N 2 0 325.453 -0.084 20 0 EBADRP Cn1cc(CC[N@H+]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)cn1 ZINC001083749658 814754714 /nfs/dbraw/zinc/75/47/14/814754714.db2.gz KWQMVVSSROAURH-CVEARBPZSA-N 2 0 335.452 -0.534 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@]2(CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001269735641 815584628 /nfs/dbraw/zinc/58/46/28/815584628.db2.gz BYXUHMYTWGNYFL-DYVFJYSZSA-N 2 0 336.436 -0.332 20 0 EBADRP C[NH+](C)CCN1CC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C2)C1=O ZINC001271086287 815979183 /nfs/dbraw/zinc/97/91/83/815979183.db2.gz JRVGZRRTQNCGGQ-PBHICJAKSA-N 2 0 338.452 -0.934 20 0 EBADRP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@](O)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001271210966 816037057 /nfs/dbraw/zinc/03/70/57/816037057.db2.gz UZRNZBOPSGRCNC-RHSMWYFYSA-N 2 0 342.484 -0.252 20 0 EBADRP C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)[C@H]4CCC[NH+](C)C4)CC3)[C@@H]2C1 ZINC001271519423 816132091 /nfs/dbraw/zinc/13/20/91/816132091.db2.gz JORYDRJQNGIDEU-RRFJBIMHSA-N 2 0 334.464 -0.003 20 0 EBADRP Cn1cnnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001086091520 816226487 /nfs/dbraw/zinc/22/64/87/816226487.db2.gz BYRFPQWITHYQHZ-LXTVHRRPSA-N 2 0 348.451 -0.337 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001086327903 816298955 /nfs/dbraw/zinc/29/89/55/816298955.db2.gz UHSSXKBWQODHBK-JHJVBQTASA-N 2 0 337.424 -0.883 20 0 EBADRP Cc1nnc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)[nH]1 ZINC001086373203 816311345 /nfs/dbraw/zinc/31/13/45/816311345.db2.gz PBKWLUUOTVZKJD-TUVASFSCSA-N 2 0 348.451 -0.039 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)cn1 ZINC001086502469 816356028 /nfs/dbraw/zinc/35/60/28/816356028.db2.gz BCVVBLZGXJBYBQ-BPLDGKMQSA-N 2 0 348.451 -0.569 20 0 EBADRP Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)nc1=O ZINC001086659462 816390373 /nfs/dbraw/zinc/39/03/73/816390373.db2.gz XUTFFYQOGRPMIT-XQQFMLRXSA-N 2 0 336.440 -0.423 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N(CCO)CC[NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001272307110 816391847 /nfs/dbraw/zinc/39/18/47/816391847.db2.gz LEVKMAWEXDIRAO-GJZGRUSLSA-N 2 0 340.468 -0.735 20 0 EBADRP Cc1nc(C)n(CC[NH2+]CCN(CCO)C(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001272306901 816391951 /nfs/dbraw/zinc/39/19/51/816391951.db2.gz GEOQNTLTDMJUKL-HNNXBMFYSA-N 2 0 338.456 -0.743 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N(CCO)CC[NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001272307109 816392086 /nfs/dbraw/zinc/39/20/86/816392086.db2.gz LEVKMAWEXDIRAO-CABCVRRESA-N 2 0 340.468 -0.735 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(CCO)CC[NH2+]CC(=O)N1CCC1 ZINC001272315281 816395763 /nfs/dbraw/zinc/39/57/63/816395763.db2.gz KEMOFPMIYHYLTG-HNNXBMFYSA-N 2 0 340.468 -0.496 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCc1cnn(C)c1 ZINC001272414697 816425850 /nfs/dbraw/zinc/42/58/50/816425850.db2.gz ROTBMLOWDGFUBI-CVEARBPZSA-N 2 0 337.468 -0.098 20 0 EBADRP Cc1nc[nH]c1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1 ZINC001087007543 816443968 /nfs/dbraw/zinc/44/39/68/816443968.db2.gz JHGSLRVSNYLIAT-DZGCQCFKSA-N 2 0 332.408 -0.429 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]CCN2CCCC2=O)C1 ZINC001272519625 816453445 /nfs/dbraw/zinc/45/34/45/816453445.db2.gz CRHRSVVLBVDEMF-KBPBESRZSA-N 2 0 326.441 -0.983 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001272534410 816462181 /nfs/dbraw/zinc/46/21/81/816462181.db2.gz OLMRYSGIVLJFTN-STQMWFEESA-N 2 0 339.440 -0.506 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001272565834 816477735 /nfs/dbraw/zinc/47/77/35/816477735.db2.gz SFZFXUNDLDRAQF-INIZCTEOSA-N 2 0 337.512 -0.282 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001272641526 816499889 /nfs/dbraw/zinc/49/98/89/816499889.db2.gz JMSPRPYGRCHUBC-CQSZACIVSA-N 2 0 346.497 -0.540 20 0 EBADRP COc1cncc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CN(C)CCO2)n1 ZINC001272702541 816509518 /nfs/dbraw/zinc/50/95/18/816509518.db2.gz HVCIGCUVFHQSLT-GXTWGEPZSA-N 2 0 337.424 -0.200 20 0 EBADRP C[NH+]1CCC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC(N)=O)CC1 ZINC001087386396 816516372 /nfs/dbraw/zinc/51/63/72/816516372.db2.gz MGMPKKQXSXFCBV-JJXSEGSLSA-N 2 0 334.464 -0.018 20 0 EBADRP C[NH+](C)CCN1C[C@@]2(CCN(Cc3c[nH+]ccc3N)C2)OCC1=O ZINC001272808217 816527327 /nfs/dbraw/zinc/52/73/27/816527327.db2.gz IAYKNMGZUKRKLB-KRWDZBQOSA-N 2 0 333.436 -0.141 20 0 EBADRP CN(C)CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CC[C@@H](O)C3)C[C@H]2CC1 ZINC001273070050 816579568 /nfs/dbraw/zinc/57/95/68/816579568.db2.gz PYJYKLHHMRZECG-IXDOHACOSA-N 2 0 338.496 -0.215 20 0 EBADRP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC3(CCN3CC[NH+](C)C)C2)C1 ZINC001273085150 816583555 /nfs/dbraw/zinc/58/35/55/816583555.db2.gz JXTIENXCHQMMOK-AWEZNQCLSA-N 2 0 338.452 -0.670 20 0 EBADRP CC(C)(C(=O)N1CCO[C@H](C[NH2+]CCOCCO)C1)[NH+]1CCCC1 ZINC001273302008 816637383 /nfs/dbraw/zinc/63/73/83/816637383.db2.gz ZENKWNACNSBWRK-OAHLLOKOSA-N 2 0 343.468 -0.313 20 0 EBADRP CCN(CC[NH2+]CC(=O)NC(N)=O)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001273771809 816755768 /nfs/dbraw/zinc/75/57/68/816755768.db2.gz MLWXDOZASUJMEH-GFCCVEGCSA-N 2 0 327.429 -0.506 20 0 EBADRP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](CCn1ccnc1)C2 ZINC001273784550 816761843 /nfs/dbraw/zinc/76/18/43/816761843.db2.gz DREUUPPVFKUYCE-QGZVFWFLSA-N 2 0 335.452 -0.004 20 0 EBADRP CN(C)C(=O)CCN1C[C@@]2(F)C(=O)N(CC[NH+](C)C)C[C@@]2(F)C1 ZINC001273837819 816780349 /nfs/dbraw/zinc/78/03/49/816780349.db2.gz GUMQVOIDKGOJHR-LSDHHAIUSA-N 2 0 332.395 -0.399 20 0 EBADRP CN(C)C(=O)CC[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001273837591 816780730 /nfs/dbraw/zinc/78/07/30/816780730.db2.gz CECUWHKDUWCFIJ-KRWDZBQOSA-N 2 0 338.452 -0.133 20 0 EBADRP CC(=O)NCC[N@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001274001223 816838611 /nfs/dbraw/zinc/83/86/11/816838611.db2.gz YWHXGESDNDHZDM-MRXNPFEDSA-N 2 0 326.441 -0.765 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]C[C@H](O)Cn2cccn2)CC[N@@H+]1C ZINC001274033988 816845066 /nfs/dbraw/zinc/84/50/66/816845066.db2.gz AXYYVKGJXKCKDO-TZGBVXRMSA-N 2 0 335.452 -0.154 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC/C=C/C[NH2+][C@@H]2CCCNC2=O)n1 ZINC001274034897 816845471 /nfs/dbraw/zinc/84/54/71/816845471.db2.gz IZIIZCHZEIMEIS-RDFMZFSFSA-N 2 0 348.451 -0.401 20 0 EBADRP NC(=O)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001089892439 816933734 /nfs/dbraw/zinc/93/37/34/816933734.db2.gz JPMHOAXPJKAKGA-XGUBFFRZSA-N 2 0 332.448 -0.264 20 0 EBADRP CN(CC[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2)S(C)(=O)=O ZINC001274512102 816988431 /nfs/dbraw/zinc/98/84/31/816988431.db2.gz UYPAPEUXRNLBAB-ONEGZZNKSA-N 2 0 344.481 -0.764 20 0 EBADRP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1CCC(O)(C[NH2+]CCO)CC1 ZINC001274537123 816994694 /nfs/dbraw/zinc/99/46/94/816994694.db2.gz ZUZCSQSGRAQVBQ-UHFFFAOYSA-N 2 0 345.403 -0.184 20 0 EBADRP C[C@H](C[NH2+]CCCN1C(=O)CNC1=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001274759962 817084007 /nfs/dbraw/zinc/08/40/07/817084007.db2.gz ILAGFUKYWZTNOQ-JHJVBQTASA-N 2 0 339.440 -0.637 20 0 EBADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+]CCN1CCCS1(=O)=O)[NH+](C)C ZINC001274926218 817122661 /nfs/dbraw/zinc/12/26/61/817122661.db2.gz VGJPALMVDAHWNW-OLZOCXBDSA-N 2 0 334.486 -0.544 20 0 EBADRP C[NH+](C)C1(C(=O)NC2CC(C[NH2+]CCN3CCNC3=O)C2)CCC1 ZINC001275243632 817175876 /nfs/dbraw/zinc/17/58/76/817175876.db2.gz XEYZHUYRGWNELC-UHFFFAOYSA-N 2 0 337.468 -0.020 20 0 EBADRP C[C@@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)C(=O)NC(N)=O ZINC001276075997 817354151 /nfs/dbraw/zinc/35/41/51/817354151.db2.gz HKWUKDRKWNVBJJ-VXGBXAGGSA-N 2 0 327.429 -0.508 20 0 EBADRP CC[C@@H](C(=O)N[C@H](C)C1C[NH+](CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001276432844 817403913 /nfs/dbraw/zinc/40/39/13/817403913.db2.gz PYHKESVVXAPUHB-YPMHNXCESA-N 2 0 339.440 -0.685 20 0 EBADRP O=C(Cn1cccnc1=O)N1CC2(C1)C[NH+](CC1CC[NH2+]CC1)C2 ZINC001276709359 817457977 /nfs/dbraw/zinc/45/79/77/817457977.db2.gz JKCRRLGXMMXGHY-UHFFFAOYSA-N 2 0 331.420 -0.613 20 0 EBADRP CN(C)S(=O)(=O)N1C[C@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H](C1)O2 ZINC001276714506 817459125 /nfs/dbraw/zinc/45/91/25/817459125.db2.gz ZJTXHUOCATYBKR-OKILXGFUSA-N 2 0 332.470 -0.823 20 0 EBADRP CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CCN(c4c[nH+]cn4C)CC3)[C@@H]2C1 ZINC001277769400 817634313 /nfs/dbraw/zinc/63/43/13/817634313.db2.gz BCIOGSCXMJOQSS-HUUCEWRRSA-N 2 0 346.479 -0.002 20 0 EBADRP Cn1nnnc1NC(=O)C[C@@H]1C[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@@H]2O1 ZINC001277824877 817641338 /nfs/dbraw/zinc/64/13/38/817641338.db2.gz ZGWXSEJMJSHQMA-RDBSUJKOSA-N 2 0 349.439 -0.372 20 0 EBADRP CC(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCNS(C)(=O)=O)[NH+](C)C ZINC001277979731 817668011 /nfs/dbraw/zinc/66/80/11/817668011.db2.gz AXXSAKNFFWBARK-UONOGXRCSA-N 2 0 348.513 -0.298 20 0 EBADRP CCN1CCO[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CCOCCO)C1 ZINC001278005416 817672915 /nfs/dbraw/zinc/67/29/15/817672915.db2.gz LIBKXVLHRYASBB-LSDHHAIUSA-N 2 0 329.441 -0.703 20 0 EBADRP O=C(N[C@H]1CC[N@@H+](CCn2cccn2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001090731608 817706101 /nfs/dbraw/zinc/70/61/01/817706101.db2.gz TXJHVLRPEZFJQZ-GJZGRUSLSA-N 2 0 333.436 -0.470 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC001278419960 817758576 /nfs/dbraw/zinc/75/85/76/817758576.db2.gz JBXDAHUVRVFYMX-INIZCTEOSA-N 2 0 339.440 -0.539 20 0 EBADRP Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090811748 817766061 /nfs/dbraw/zinc/76/60/61/817766061.db2.gz DHUYYBRLWZDMEA-HOTGVXAUSA-N 2 0 335.452 -0.390 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CCN3CCNC3=O)C2)C1 ZINC001278582175 817783563 /nfs/dbraw/zinc/78/35/63/817783563.db2.gz HJGDDANJFXZMCN-RHSMWYFYSA-N 2 0 337.468 -0.209 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CC(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nc1=O ZINC001091031250 817844596 /nfs/dbraw/zinc/84/45/96/817844596.db2.gz TWRVZSQFPOSOGI-UXUKBGGZSA-N 2 0 348.451 -0.565 20 0 EBADRP O=C(NCC1CC([NH2+]CCN2CCNC2=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001091031565 817844748 /nfs/dbraw/zinc/84/47/48/817844748.db2.gz YEWLZVUVMNMDLD-AVVWSFFYSA-N 2 0 349.479 -0.162 20 0 EBADRP CN(C[C@H](O)C[NH2+]CCn1cncn1)C(=O)C(C)(C)c1cnc[nH]1 ZINC001278828355 817854141 /nfs/dbraw/zinc/85/41/41/817854141.db2.gz WQQCNIMJCLMCDQ-GFCCVEGCSA-N 2 0 335.412 -0.612 20 0 EBADRP NC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001091069593 817859077 /nfs/dbraw/zinc/85/90/77/817859077.db2.gz ZMRJQDOQOSYOQN-PIMMBPRGSA-N 2 0 338.452 -0.401 20 0 EBADRP CN(CCOCC[NH2+]CC(=O)N1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001279393886 817924499 /nfs/dbraw/zinc/92/44/99/817924499.db2.gz XHGKDEYRMUUHHT-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CC(CNC(=O)C3CC[NH+](C)CC3)C2)nc1=O ZINC001091213634 817942637 /nfs/dbraw/zinc/94/26/37/817942637.db2.gz QSIURPRKFGIQBH-UHFFFAOYSA-N 2 0 336.440 -0.565 20 0 EBADRP C[NH+](C)C1(C(=O)N(CCO)CC[NH2+]CC(=O)N2CCC2)CCC1 ZINC001279731706 817977320 /nfs/dbraw/zinc/97/73/20/817977320.db2.gz ZAROOCLRADZOGK-UHFFFAOYSA-N 2 0 326.441 -0.887 20 0 EBADRP CN(C)C(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001279886023 818000277 /nfs/dbraw/zinc/00/02/77/818000277.db2.gz GDBAOGLKABKCBJ-GJZGRUSLSA-N 2 0 342.484 -0.395 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001094169931 818164939 /nfs/dbraw/zinc/16/49/39/818164939.db2.gz DSIRAWRHIHGVFI-RBSFLKMASA-N 2 0 334.464 -0.003 20 0 EBADRP COCC[NH2+]CC1(O)CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001281643007 818243442 /nfs/dbraw/zinc/24/34/42/818243442.db2.gz PAAURNSNSWCPOV-OAHLLOKOSA-N 2 0 343.468 -0.456 20 0 EBADRP C[C@H](CCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001283174749 818685864 /nfs/dbraw/zinc/68/58/64/818685864.db2.gz ZGCQUNMJAWNHKL-YPMHNXCESA-N 2 0 339.440 -0.602 20 0 EBADRP C[C@@H](O)C[N@H+](CCO)C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001098392789 819168072 /nfs/dbraw/zinc/16/80/72/819168072.db2.gz YSUCYPDEDQXITE-CZUORRHYSA-N 2 0 327.469 -0.007 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C(C)(C)C1 ZINC001284325904 819185489 /nfs/dbraw/zinc/18/54/89/819185489.db2.gz VXEATXNCXLCBGD-GFCCVEGCSA-N 2 0 339.440 -0.684 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCNS(C)(=O)=O)C(C)(C)C1)[NH+](C)C ZINC001284336815 819188118 /nfs/dbraw/zinc/18/81/18/819188118.db2.gz VSAIUEPCTJLWIK-QWHCGFSZSA-N 2 0 348.513 -0.298 20 0 EBADRP CC[C@@H](C(=O)N1CCC([N@H+](CCO)CCOCCO)CC1)[NH+](C)C ZINC001098479995 819210500 /nfs/dbraw/zinc/21/05/00/819210500.db2.gz KUMWNOJFUHCDTB-INIZCTEOSA-N 2 0 345.484 -0.379 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC([N@H+](CCO)CCOCCO)CC1 ZINC001098506011 819222377 /nfs/dbraw/zinc/22/23/77/819222377.db2.gz JMWYIZJOIRRMIC-UHFFFAOYSA-N 2 0 345.484 -0.378 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC([N@H+](CCO)CC(=O)NC)CC1 ZINC001098505832 819222580 /nfs/dbraw/zinc/22/25/80/819222580.db2.gz DJRGPNSVJGTQOL-UHFFFAOYSA-N 2 0 328.457 -0.641 20 0 EBADRP CN(C[C@H](O)C[NH2+]CCn1cccn1)C(=O)C12CCC[NH+]1CCC2 ZINC001284430959 819228778 /nfs/dbraw/zinc/22/87/78/819228778.db2.gz ZHHZAOOVBPAFJO-OAHLLOKOSA-N 2 0 335.452 -0.080 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC([NH+](CCO)CC(N)=O)CC2)C1 ZINC001098532974 819233942 /nfs/dbraw/zinc/23/39/42/819233942.db2.gz NEDZFFCGKFSWBE-ZDUSSCGKSA-N 2 0 326.441 -0.901 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH+](CCO)CC(N)=O)CC1 ZINC001098572539 819251703 /nfs/dbraw/zinc/25/17/03/819251703.db2.gz NMSJIFOPMHHZNG-HNNXBMFYSA-N 2 0 340.468 -0.369 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCNS(C)(=O)=O)C(C)(C)C ZINC001284616224 819304722 /nfs/dbraw/zinc/30/47/22/819304722.db2.gz ARGLLBAKCQOYKL-OLZOCXBDSA-N 2 0 348.513 -0.250 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@H]1C[N@H+](CCO)CC2(CCOCC2)C1 ZINC001099597129 819494080 /nfs/dbraw/zinc/49/40/80/819494080.db2.gz SNHKSNSLFNRDKL-OAHLLOKOSA-N 2 0 343.468 -0.456 20 0 EBADRP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+](CCOCCO)C[C@@H]2O)CCC1 ZINC001099872796 819812427 /nfs/dbraw/zinc/81/24/27/819812427.db2.gz ZMXFSIUGRSYKKU-KBPBESRZSA-N 2 0 329.441 -0.969 20 0 EBADRP Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)[C@H](O)C2)cn1 ZINC001099880336 819825219 /nfs/dbraw/zinc/82/52/19/819825219.db2.gz YQKBDIAAHNVSLD-DLBZAZTESA-N 2 0 349.479 -0.002 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[NH+](CCOCCO)C[C@@H]1O ZINC001099898453 819860996 /nfs/dbraw/zinc/86/09/96/819860996.db2.gz BWONSLRGSJDKEB-KBPBESRZSA-N 2 0 331.457 -0.723 20 0 EBADRP O=C(N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O)c1ccc2c[nH+]cn2c1 ZINC001099916891 819914029 /nfs/dbraw/zinc/91/40/29/819914029.db2.gz VGJHXFQVZRYWIJ-HZPDHXFCSA-N 2 0 348.403 -0.492 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001100041919 820110243 /nfs/dbraw/zinc/11/02/43/820110243.db2.gz QBEBXMSBGLSFGB-HUUCEWRRSA-N 2 0 340.468 -0.498 20 0 EBADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100073390 820163483 /nfs/dbraw/zinc/16/34/83/820163483.db2.gz CJDIVRNJFYXZJK-LSDHHAIUSA-N 2 0 331.457 -0.457 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@H+](CCn2cccn2)C[C@@H]1O ZINC001100074175 820164158 /nfs/dbraw/zinc/16/41/58/820164158.db2.gz JXDAKBAFVNACAN-GJZGRUSLSA-N 2 0 339.440 -0.987 20 0 EBADRP CC(C)OCC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074620 820165944 /nfs/dbraw/zinc/16/59/44/820165944.db2.gz QBPCVKZFGVHCRB-GJZGRUSLSA-N 2 0 331.457 -0.459 20 0 EBADRP COCCCCC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100075144 820168223 /nfs/dbraw/zinc/16/82/23/820168223.db2.gz ZAJPLSZMLLZWTH-HOTGVXAUSA-N 2 0 345.484 -0.067 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCc2ccnn2C)C[C@@H]1O ZINC001100083493 820184102 /nfs/dbraw/zinc/18/41/02/820184102.db2.gz SYARFSHKNCOQJB-HOTGVXAUSA-N 2 0 337.468 -0.144 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCn2cncn2)C[C@@H]1O ZINC001100083575 820184673 /nfs/dbraw/zinc/18/46/73/820184673.db2.gz UIAZJIUQKAYCFQ-CABCVRRESA-N 2 0 338.456 -0.439 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCc2cnn(C)c2)C[C@@H]1O ZINC001100083217 820184810 /nfs/dbraw/zinc/18/48/10/820184810.db2.gz OOSZLZUNFNFPNB-HOTGVXAUSA-N 2 0 337.468 -0.144 20 0 EBADRP O=C(CC[NH+]1CCCCC1)N[C@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100127073 820259896 /nfs/dbraw/zinc/25/98/96/820259896.db2.gz RTLNUYMLLIEKCN-JKSUJKDBSA-N 2 0 343.468 -0.577 20 0 EBADRP CC(=O)NCCOCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001100187838 820308452 /nfs/dbraw/zinc/30/84/52/820308452.db2.gz OWIZQNYSWWBBRG-UYSNPLJNSA-N 2 0 340.468 -0.282 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001100405705 820405903 /nfs/dbraw/zinc/40/59/03/820405903.db2.gz JSNMETSAFYTXHX-UHFFFAOYSA-N 2 0 339.440 -0.589 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100419273 820414435 /nfs/dbraw/zinc/41/44/35/820414435.db2.gz SNLRIQLJVOAWLG-BPCQOVAHSA-N 2 0 339.440 -0.460 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001100426729 820417587 /nfs/dbraw/zinc/41/75/87/820417587.db2.gz YBYRERJUINTAKY-YIZWMMSDSA-N 2 0 341.456 -0.487 20 0 EBADRP CC[C@H](C(=O)NCC1CC([NH2+]CCOCCNC(C)=O)C1)[NH+](C)C ZINC001100443488 820423303 /nfs/dbraw/zinc/42/33/03/820423303.db2.gz JKHLXNGFQVOUCO-UYSNPLJNSA-N 2 0 342.484 -0.036 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100637421 820495919 /nfs/dbraw/zinc/49/59/19/820495919.db2.gz QWDOJRSEYXKILE-UHFFFAOYSA-N 2 0 348.513 -0.248 20 0 EBADRP CCN(C)C(=O)C[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100867287 820583267 /nfs/dbraw/zinc/58/32/67/820583267.db2.gz ONCABLMQZAJITB-UHFFFAOYSA-N 2 0 328.457 -0.473 20 0 EBADRP CCN1CC[C@H]([NH2+]C2CC(CNC(=O)COCC[NH+](C)C)C2)C1=O ZINC001100870152 820584102 /nfs/dbraw/zinc/58/41/02/820584102.db2.gz AEJXMLCCWPRSNH-NRXISQOPSA-N 2 0 340.468 -0.330 20 0 EBADRP CCN1CC[C@@H]([NH2+]C2CC(CNC(=O)COCC[NH+](C)C)C2)C1=O ZINC001100870153 820584258 /nfs/dbraw/zinc/58/42/58/820584258.db2.gz AEJXMLCCWPRSNH-YMAMQOFZSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@H]([NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001100870504 820585439 /nfs/dbraw/zinc/58/54/39/820585439.db2.gz HQTNOBKOZSSYAE-OPFPJEHXSA-N 2 0 340.468 -0.284 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC1CC([NH2+]CCN2CCNC2=O)C1 ZINC001100871009 820585539 /nfs/dbraw/zinc/58/55/39/820585539.db2.gz WRIQUJUDVYGHTK-UHFFFAOYSA-N 2 0 341.456 -0.926 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC1CC([NH2+]CC(=O)N2CCCC2)C1 ZINC001100870609 820585629 /nfs/dbraw/zinc/58/56/29/820585629.db2.gz KBNNHZMNQQZMLV-UHFFFAOYSA-N 2 0 340.468 -0.329 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100898502 820593378 /nfs/dbraw/zinc/59/33/78/820593378.db2.gz JEACLTXNENDJRH-UHFFFAOYSA-N 2 0 327.429 -0.602 20 0 EBADRP CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001100986586 820633155 /nfs/dbraw/zinc/63/31/55/820633155.db2.gz VSHSNUKZSASONH-NFOMZHRRSA-N 2 0 340.468 -0.425 20 0 EBADRP CCOCCNC(=O)C[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100985000 820633483 /nfs/dbraw/zinc/63/34/83/820633483.db2.gz XXEWFLLPEOFUEG-UHFFFAOYSA-N 2 0 340.468 -0.281 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001101038050 820661166 /nfs/dbraw/zinc/66/11/66/820661166.db2.gz ZTYGYLKIUKNDHS-HIFPTAJRSA-N 2 0 341.456 -0.345 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1CC([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001101038047 820661868 /nfs/dbraw/zinc/66/18/68/820661868.db2.gz ZTJUQWGYPWTEDI-UNXYVOJBSA-N 2 0 327.429 -0.606 20 0 EBADRP C[NH+](C)CC1(C(=O)N2C[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@]3(C)C2)CC1 ZINC001101342892 820759850 /nfs/dbraw/zinc/75/98/50/820759850.db2.gz SNIDXPNSOZXLLT-CPUCHLNUSA-N 2 0 334.464 -0.003 20 0 EBADRP C[NH+](C)CCOCC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001101432374 820789931 /nfs/dbraw/zinc/78/99/31/820789931.db2.gz OYILIEGJFDUJKH-CPUCHLNUSA-N 2 0 338.452 -0.767 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CCOCCO)C[C@@]3(C)C2)C1 ZINC001101460454 820797520 /nfs/dbraw/zinc/79/75/20/820797520.db2.gz GKZWFVMKRLHHCX-INMHGKMJSA-N 2 0 325.453 -0.273 20 0 EBADRP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@H+](CCOCCO)C2 ZINC001101461787 820798230 /nfs/dbraw/zinc/79/82/30/820798230.db2.gz UFIWDPRHHHZZRF-WBVHZDCISA-N 2 0 325.453 -0.129 20 0 EBADRP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320475 821069775 /nfs/dbraw/zinc/06/97/75/821069775.db2.gz DUJWYHNBWPBVDW-BZUAXINKSA-N 2 0 337.468 -0.120 20 0 EBADRP CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102510917 821132994 /nfs/dbraw/zinc/13/29/94/821132994.db2.gz BBWGPHYRMPVFQT-ZIAGYGMSSA-N 2 0 328.457 -0.615 20 0 EBADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513621 821134591 /nfs/dbraw/zinc/13/45/91/821134591.db2.gz UFYQISPVBAPQDJ-KFWWJZLASA-N 2 0 340.468 -0.521 20 0 EBADRP CNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513579 821135203 /nfs/dbraw/zinc/13/52/03/821135203.db2.gz REOJVFWZGKPZDU-MGPQQGTHSA-N 2 0 328.457 -0.617 20 0 EBADRP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102577931 821161616 /nfs/dbraw/zinc/16/16/16/821161616.db2.gz DGGDGZFXCSUCAY-FRRDWIJNSA-N 2 0 339.440 -0.922 20 0 EBADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104846714 821555228 /nfs/dbraw/zinc/55/52/28/821555228.db2.gz GMAWIUQELRUNMF-ZIAGYGMSSA-N 2 0 340.468 -0.343 20 0 EBADRP CC[C@@H]([NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)C(N)=O ZINC001104907976 821563803 /nfs/dbraw/zinc/56/38/03/821563803.db2.gz CODORTHKMFSVGV-RBSFLKMASA-N 2 0 342.484 -0.097 20 0 EBADRP C[NH+](C)CCC(=O)N1CC(n2cc(C[NH2+]C[C@H]3CCOC3)nn2)C1 ZINC001105320768 821690713 /nfs/dbraw/zinc/69/07/13/821690713.db2.gz ISTZZGAXMGHTRU-CYBMUJFWSA-N 2 0 336.440 -0.261 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCOC2(CCC([NH2+]CC(N)=O)CC2)C1 ZINC001105479197 821759913 /nfs/dbraw/zinc/75/99/13/821759913.db2.gz SPJPRSIUYFASHJ-UHFFFAOYSA-N 2 0 340.468 -0.057 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCOC2(CCC([NH2+]CC(N)=O)CC2)C1 ZINC001105485486 821761218 /nfs/dbraw/zinc/76/12/18/821761218.db2.gz KEBKHXFQDBIJFL-UHFFFAOYSA-N 2 0 340.468 -0.057 20 0 EBADRP CC(C)[C@@H]1N(C(=O)CC[NH+](C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105660566 821789556 /nfs/dbraw/zinc/78/95/56/821789556.db2.gz WNZNUEYCWMAXJN-TXCZRRACSA-N 2 0 327.469 -0.104 20 0 EBADRP Cn1cncc1CN1CC[NH+](CCCNC(=O)CC[NH+](C)C)CC1 ZINC001316964163 821945774 /nfs/dbraw/zinc/94/57/74/821945774.db2.gz YUEJVXPSHYTTIU-UHFFFAOYSA-N 2 0 336.484 -0.004 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCN1C(=O)CNC1=O)C1CC1 ZINC001317011251 821973059 /nfs/dbraw/zinc/97/30/59/821973059.db2.gz OHFYHTOJCVHNQO-OLZOCXBDSA-N 2 0 337.424 -0.883 20 0 EBADRP CC(C)NC(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001317068051 821993330 /nfs/dbraw/zinc/99/33/30/821993330.db2.gz ONODAOAEBZFLIB-KBPBESRZSA-N 2 0 325.457 -0.164 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317071972 821994261 /nfs/dbraw/zinc/99/42/61/821994261.db2.gz CQNJXBDJUPJAIU-MGPQQGTHSA-N 2 0 346.497 -0.401 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001317119972 822008840 /nfs/dbraw/zinc/00/88/40/822008840.db2.gz MVSPATFLAOXWTM-MCIONIFRSA-N 2 0 346.497 -0.496 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001317128345 822011914 /nfs/dbraw/zinc/01/19/14/822011914.db2.gz LVPPQVOROOLYKK-BETUJISGSA-N 2 0 339.440 -0.316 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001317244193 822045293 /nfs/dbraw/zinc/04/52/93/822045293.db2.gz HAWIEXZSRJFOTQ-CHWSQXEVSA-N 2 0 339.440 -0.493 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001317245987 822045871 /nfs/dbraw/zinc/04/58/71/822045871.db2.gz KCKWZNFQGIBSFH-CHWSQXEVSA-N 2 0 334.486 -0.496 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317303510 822074691 /nfs/dbraw/zinc/07/46/91/822074691.db2.gz VCKVJEXLGOBQJB-UONOGXRCSA-N 2 0 346.497 -0.447 20 0 EBADRP CN(CC[NH2+]CC(=O)NC[C@H]1CCCO1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001317601286 822173244 /nfs/dbraw/zinc/17/32/44/822173244.db2.gz UKSVEWLRDXTOSI-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001317625772 822182679 /nfs/dbraw/zinc/18/26/79/822182679.db2.gz JFABWHTWEUEURM-GJZGRUSLSA-N 2 0 340.468 -0.471 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]Cc1cnon1 ZINC001106880236 822347345 /nfs/dbraw/zinc/34/73/45/822347345.db2.gz FHDDEHOZVZENRJ-CHWSQXEVSA-N 2 0 325.413 -0.168 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106881810 822348484 /nfs/dbraw/zinc/34/84/84/822348484.db2.gz KPOHGPJHGNOZSF-ZIAGYGMSSA-N 2 0 343.493 -0.189 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106881600 822348530 /nfs/dbraw/zinc/34/85/30/822348530.db2.gz GEZKGWNSWUCTOK-HUUCEWRRSA-N 2 0 334.464 -0.001 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001128533776 828471245 /nfs/dbraw/zinc/47/12/45/828471245.db2.gz RTKVPIASQJGQPG-LBPRGKRZSA-N 2 0 345.419 -0.640 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001128539601 828472237 /nfs/dbraw/zinc/47/22/37/828472237.db2.gz HZWORSXVLUKITI-UONOGXRCSA-N 2 0 346.447 -0.381 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001128553351 828473740 /nfs/dbraw/zinc/47/37/40/828473740.db2.gz VUVNBMBUTLZVDN-ZIAGYGMSSA-N 2 0 329.420 -0.370 20 0 EBADRP C[C@H](O)CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228294 828583802 /nfs/dbraw/zinc/58/38/02/828583802.db2.gz MBEKBELIDPDNKY-ZNMIVQPWSA-N 2 0 338.456 -0.268 20 0 EBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001129328420 828598044 /nfs/dbraw/zinc/59/80/44/828598044.db2.gz PJZVPDXXCLRWTO-CYBMUJFWSA-N 2 0 339.440 -0.778 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129328518 828598810 /nfs/dbraw/zinc/59/88/10/828598810.db2.gz QGJWJYNXJPSUJN-HZPDHXFCSA-N 2 0 345.484 -0.306 20 0 EBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001129334389 828599711 /nfs/dbraw/zinc/59/97/11/828599711.db2.gz MEMLADXNHIMILF-CVEARBPZSA-N 2 0 337.468 -0.072 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129337335 828600514 /nfs/dbraw/zinc/60/05/14/828600514.db2.gz CAFHJZQRNCLGAJ-KFWWJZLASA-N 2 0 338.456 -0.004 20 0 EBADRP O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430034 828616938 /nfs/dbraw/zinc/61/69/38/828616938.db2.gz NCRRMSORDRTNOI-KBPBESRZSA-N 2 0 336.436 -0.096 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1)C1CC1 ZINC001129435291 828618649 /nfs/dbraw/zinc/61/86/49/828618649.db2.gz DVEAQAUBMWQYRE-HIFRSBDPSA-N 2 0 326.441 -0.672 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O)C1CC1 ZINC001129435499 828619267 /nfs/dbraw/zinc/61/92/67/828619267.db2.gz GYJXGYFGLHKNQJ-ZFWWWQNUSA-N 2 0 326.441 -0.984 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CC(=O)NCc1cccnc1)C1CC1 ZINC001129437361 828620145 /nfs/dbraw/zinc/62/01/45/828620145.db2.gz ZLGLYWYXGUTUQG-MRXNPFEDSA-N 2 0 333.436 -0.256 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129448601 828621052 /nfs/dbraw/zinc/62/10/52/828621052.db2.gz CHRYCBMSBFOQFD-YPMHNXCESA-N 2 0 341.456 -0.345 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129454609 828622185 /nfs/dbraw/zinc/62/21/85/828622185.db2.gz MONJNSWDOTVKDX-GXTWGEPZSA-N 2 0 328.457 -0.426 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C2CCC2)s1 ZINC001129531631 828631229 /nfs/dbraw/zinc/63/12/29/828631229.db2.gz CNELBIXYKCFRDV-UHFFFAOYSA-N 2 0 340.453 -0.025 20 0 EBADRP CC(C)C[NH+]1CC(N2C[C@H](NC(=O)COCC[NH+](C)C)CC2=O)C1 ZINC001108585327 824395494 /nfs/dbraw/zinc/39/54/94/824395494.db2.gz QWFCJYFMFAAVJU-CQSZACIVSA-N 2 0 340.468 -0.378 20 0 EBADRP CC(C)C[NH+]1CC(N2C[C@@H](NC(=O)COCC[NH+](C)C)CC2=O)C1 ZINC001108585326 824395758 /nfs/dbraw/zinc/39/57/58/824395758.db2.gz QWFCJYFMFAAVJU-AWEZNQCLSA-N 2 0 340.468 -0.378 20 0 EBADRP CCCC[NH+]1CC(N2C[C@@H](NC(=O)COCC[NH+](C)C)CC2=O)C1 ZINC001108587723 824399291 /nfs/dbraw/zinc/39/92/91/824399291.db2.gz VPFVUNNEZIRORZ-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)COCC[NH+](C)C)C2 ZINC001108800555 824439150 /nfs/dbraw/zinc/43/91/50/824439150.db2.gz GQXZEVVBIVOUMD-MJBXVCDLSA-N 2 0 326.441 -0.720 20 0 EBADRP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977717 824638177 /nfs/dbraw/zinc/63/81/77/824638177.db2.gz WNGONYXJBHTOBZ-KBXIAJHMSA-N 2 0 329.441 -0.707 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129850007 828681582 /nfs/dbraw/zinc/68/15/82/828681582.db2.gz JCDJEVVPPSYTLO-XHSDSOJGSA-N 2 0 348.451 -0.656 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001129856562 828682250 /nfs/dbraw/zinc/68/22/50/828682250.db2.gz UFYJOLBJVBAWMN-CQSZACIVSA-N 2 0 326.441 -0.575 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1 ZINC001129919280 828694175 /nfs/dbraw/zinc/69/41/75/828694175.db2.gz UCOFSOMOQRAREK-KGLIPLIRSA-N 2 0 338.456 -0.004 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)[NH+](CC)CC ZINC001130005680 828712613 /nfs/dbraw/zinc/71/26/13/828712613.db2.gz CVARJGORHULRHL-ILXRZTDVSA-N 2 0 338.456 -0.268 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130011943 828714253 /nfs/dbraw/zinc/71/42/53/828714253.db2.gz GFQZTVVIIOAGJQ-KFWWJZLASA-N 2 0 336.440 -0.514 20 0 EBADRP CCOCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130075372 828727882 /nfs/dbraw/zinc/72/78/82/828727882.db2.gz VHJPCCHZDSNKTR-CABCVRRESA-N 2 0 338.456 -0.002 20 0 EBADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137393 828738632 /nfs/dbraw/zinc/73/86/32/828738632.db2.gz XEJLCLFRYYHDCK-ZNMIVQPWSA-N 2 0 338.456 -0.005 20 0 EBADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137326 828739050 /nfs/dbraw/zinc/73/90/50/828739050.db2.gz UBLPYSPBAVWHFH-ZNMIVQPWSA-N 2 0 338.456 -0.005 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)N1CCOCC1 ZINC001130187112 828750732 /nfs/dbraw/zinc/75/07/32/828750732.db2.gz OSDJBYAHMCBZKJ-HUUCEWRRSA-N 2 0 338.452 -0.432 20 0 EBADRP CN(CC[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)S(C)(=O)=O ZINC001130187464 828751122 /nfs/dbraw/zinc/75/11/22/828751122.db2.gz VRCQDTSPJKSJLN-ZIAGYGMSSA-N 2 0 346.497 -0.400 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130188987 828751691 /nfs/dbraw/zinc/75/16/91/828751691.db2.gz LFHKIYMTKKBTQC-STQMWFEESA-N 2 0 332.470 -0.742 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001130232025 828761358 /nfs/dbraw/zinc/76/13/58/828761358.db2.gz OSBSKFCIACSVHI-UHFFFAOYSA-N 2 0 341.456 -0.924 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001130297962 828777245 /nfs/dbraw/zinc/77/72/45/828777245.db2.gz UMGYCZSKOUOQHW-AWEZNQCLSA-N 2 0 326.441 -0.528 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001130303680 828777914 /nfs/dbraw/zinc/77/79/14/828777914.db2.gz GUYFXYPNYDBAQE-GOEBONIOSA-N 2 0 343.468 -0.267 20 0 EBADRP Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)[C@H]3CCCC[N@@H+]3C)C2=O)cn1 ZINC001130303638 828778034 /nfs/dbraw/zinc/77/80/34/828778034.db2.gz GKLREQSENGFAJT-LSDHHAIUSA-N 2 0 348.451 -0.285 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001130421751 828827428 /nfs/dbraw/zinc/82/74/28/828827428.db2.gz IIDJJEMMEVASLO-UHFFFAOYSA-N 2 0 341.456 -0.247 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1C ZINC001179861022 833019385 /nfs/dbraw/zinc/01/93/85/833019385.db2.gz IBXYJGSSGPTPET-STQMWFEESA-N 2 0 334.486 -0.544 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCN3CCCC3=O)C[C@H]21)C1CC1 ZINC001114404813 826235730 /nfs/dbraw/zinc/23/57/30/826235730.db2.gz HSOAEJABYSIQNX-YQFWSFKMSA-N 2 0 334.464 -0.005 20 0 EBADRP C[NH+](C)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](CCN4C(=O)CCC4=O)C[C@H]32)CCC1 ZINC001114406939 826236332 /nfs/dbraw/zinc/23/63/32/826236332.db2.gz NPQDNSSRZRECLM-VIKVFOODSA-N 2 0 348.447 -0.334 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C)C(=O)N(C)C ZINC001179934271 833027720 /nfs/dbraw/zinc/02/77/20/833027720.db2.gz WXOYJYWAOWDRPV-RDBSUJKOSA-N 2 0 328.457 -0.380 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H]1C ZINC001179982588 833031752 /nfs/dbraw/zinc/03/17/52/833031752.db2.gz AOAYFUIHVIUQDF-STQMWFEESA-N 2 0 339.440 -0.541 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)C12CC[NH+](CC1)C2 ZINC001180068694 833038467 /nfs/dbraw/zinc/03/84/67/833038467.db2.gz LAAFRKWNORWCKN-UHFFFAOYSA-N 2 0 339.440 -0.457 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@H]21 ZINC001114778093 826340412 /nfs/dbraw/zinc/34/04/12/826340412.db2.gz FITJZANBBCLWLE-NHAGDIPZSA-N 2 0 344.481 -0.980 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001114998961 826396779 /nfs/dbraw/zinc/39/67/79/826396779.db2.gz ZSSCDNJBPRIFJW-AIANPOQGSA-N 2 0 343.468 -0.602 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC001115013043 826399639 /nfs/dbraw/zinc/39/96/39/826399639.db2.gz FLWQLMRCDRPGOE-AIANPOQGSA-N 2 0 325.453 -0.228 20 0 EBADRP CC(C)N(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115121271 826426863 /nfs/dbraw/zinc/42/68/63/826426863.db2.gz NZKAOILJMIOXLC-FOLVSLTJSA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@@H]([NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001180264483 833065617 /nfs/dbraw/zinc/06/56/17/833065617.db2.gz GDTJTJNVMVVZHC-CHWSQXEVSA-N 2 0 341.456 -0.212 20 0 EBADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115292752 826497793 /nfs/dbraw/zinc/49/77/93/826497793.db2.gz USCBUFYPMMYFJD-QDEZUTFSSA-N 2 0 348.447 -0.286 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC001119295199 827098132 /nfs/dbraw/zinc/09/81/32/827098132.db2.gz SNCDUBZWGHRTAF-AEGPPILISA-N 2 0 340.468 -0.276 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001120377791 827202434 /nfs/dbraw/zinc/20/24/34/827202434.db2.gz PSAPQOYKRZUBMT-RRFJBIMHSA-N 2 0 340.468 -0.391 20 0 EBADRP C[C@@H](NC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1)C1=CC[N@H+](C)CC1 ZINC001120425438 827216904 /nfs/dbraw/zinc/21/69/04/827216904.db2.gz CYTAOCYITRMVPJ-CYBMUJFWSA-N 2 0 338.452 -0.281 20 0 EBADRP CN1CC[NH+](CC2CCN(C(=O)C(=O)NCC3([NH3+])CC3)CC2)CC1 ZINC001120445801 827223601 /nfs/dbraw/zinc/22/36/01/827223601.db2.gz DVHMGKBBCRVNQZ-UHFFFAOYSA-N 2 0 337.468 -0.920 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001120530962 827241011 /nfs/dbraw/zinc/24/10/11/827241011.db2.gz PPIGUZRSWAKTSF-IPYPFGDCSA-N 2 0 338.452 -0.672 20 0 EBADRP O=C(NCCCCCN1CC[NH2+]CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001120652485 827252747 /nfs/dbraw/zinc/25/27/47/827252747.db2.gz FLDNETJBTNYIOU-JKSUJKDBSA-N 2 0 339.484 -0.478 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001181653068 833170552 /nfs/dbraw/zinc/17/05/52/833170552.db2.gz VCKVJEXLGOBQJB-KGLIPLIRSA-N 2 0 346.497 -0.447 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001181653341 833170772 /nfs/dbraw/zinc/17/07/72/833170772.db2.gz YHOAWNPOQWFIIH-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001181653006 833171135 /nfs/dbraw/zinc/17/11/35/833171135.db2.gz TWHMLTLWZOJIKE-CHWSQXEVSA-N 2 0 337.424 -0.787 20 0 EBADRP CC(=O)N[C@@H](CCO)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001182122867 833203956 /nfs/dbraw/zinc/20/39/56/833203956.db2.gz HGUOJHITWBOWFB-HNNXBMFYSA-N 2 0 330.473 -0.395 20 0 EBADRP C[NH+](C)C1(CNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CCOCC1 ZINC001121924126 827482343 /nfs/dbraw/zinc/48/23/43/827482343.db2.gz XZBBDKLVMWJVOU-ZDUSSCGKSA-N 2 0 326.441 -0.589 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)c1cnn2cc(CC[NH3+])cnc12 ZINC001121922364 827482720 /nfs/dbraw/zinc/48/27/20/827482720.db2.gz ICKXTBQJFIAJCF-UHFFFAOYSA-N 2 0 334.424 -0.071 20 0 EBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NCCCC[NH+]1CCOCC1 ZINC001121991469 827496564 /nfs/dbraw/zinc/49/65/64/827496564.db2.gz RJVNQVMHMQLHGU-OAHLLOKOSA-N 2 0 328.457 -0.295 20 0 EBADRP COC[C@H](O)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001122178139 827537752 /nfs/dbraw/zinc/53/77/52/827537752.db2.gz WRJSQETZLGLECL-KBMGIXFMSA-N 2 0 325.453 -0.038 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001182963513 833270834 /nfs/dbraw/zinc/27/08/34/833270834.db2.gz CWUJKEXONFILBL-VXGBXAGGSA-N 2 0 345.419 -0.688 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)COCc1ccco1 ZINC001124867126 827970176 /nfs/dbraw/zinc/97/01/76/827970176.db2.gz SGFXEUZYSJYSDL-UKRRQHHQSA-N 2 0 325.409 -0.043 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001183266847 833285122 /nfs/dbraw/zinc/28/51/22/833285122.db2.gz GPUSDVKXUKYGFV-OCCSQVGLSA-N 2 0 339.440 -0.637 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCS(C)(=O)=O)C1)C1CC1 ZINC001183267281 833285290 /nfs/dbraw/zinc/28/52/90/833285290.db2.gz LUQBGYQESITICJ-ZIAGYGMSSA-N 2 0 331.482 -0.048 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1)[NH+](C)C ZINC001183581497 833296071 /nfs/dbraw/zinc/29/60/71/833296071.db2.gz KXSHEMFVHNACSL-CHWSQXEVSA-N 2 0 339.440 -0.495 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001183582066 833296347 /nfs/dbraw/zinc/29/63/47/833296347.db2.gz QRBJLJGVHUAHNQ-YNEHKIRRSA-N 2 0 341.456 -0.249 20 0 EBADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001183611432 833296544 /nfs/dbraw/zinc/29/65/44/833296544.db2.gz OPWIIIXONHQWQL-CABCVRRESA-N 2 0 343.468 -0.457 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001183759555 833305039 /nfs/dbraw/zinc/30/50/39/833305039.db2.gz MKFZMUDALAJCMZ-CYBMUJFWSA-N 2 0 325.457 -0.068 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COCCOC)C1 ZINC001183760389 833305076 /nfs/dbraw/zinc/30/50/76/833305076.db2.gz XHINXTRABVSRKC-HUUCEWRRSA-N 2 0 345.484 -0.069 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127066758 828247292 /nfs/dbraw/zinc/24/72/92/828247292.db2.gz SCAIQHFZSOZMPT-AWEZNQCLSA-N 2 0 348.513 -0.106 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127077698 828248331 /nfs/dbraw/zinc/24/83/31/828248331.db2.gz IAKLYSGPDKZXKG-HNNXBMFYSA-N 2 0 328.457 -0.282 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127081790 828248359 /nfs/dbraw/zinc/24/83/59/828248359.db2.gz BPEMGIAXKGEZQV-NWDGAFQWSA-N 2 0 327.429 -0.591 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127255707 828269047 /nfs/dbraw/zinc/26/90/47/828269047.db2.gz KYNYDDFNFIAJBS-GJZGRUSLSA-N 2 0 340.468 -0.281 20 0 EBADRP O=C(NCC[NH2+]CCN1C(=O)CCC1=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127261363 828271288 /nfs/dbraw/zinc/27/12/88/828271288.db2.gz ITTRSUAFJLOTEN-KGLIPLIRSA-N 2 0 336.436 -0.284 20 0 EBADRP O=C(NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001127480851 828297895 /nfs/dbraw/zinc/29/78/95/828297895.db2.gz NHCQGEWLBGOQNC-GXTWGEPZSA-N 2 0 329.466 -0.531 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571412 828303944 /nfs/dbraw/zinc/30/39/44/828303944.db2.gz RDVJTKFGMBQSNJ-YUELXQCFSA-N 2 0 340.468 -0.426 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C[C@H](O)COCCOC)CC[N@@H+]1C ZINC001127701058 828317068 /nfs/dbraw/zinc/31/70/68/828317068.db2.gz GLKFIFVVFHVJRM-SOUVJXGZSA-N 2 0 331.457 -0.554 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccon1 ZINC001127760875 828321171 /nfs/dbraw/zinc/32/11/71/828321171.db2.gz TYZBJPQOZTZMTM-RYUDHWBXSA-N 2 0 337.380 -0.818 20 0 EBADRP NC(=O)c1ccc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC001127779877 828326986 /nfs/dbraw/zinc/32/69/86/828326986.db2.gz RYOIDVOJLXLVON-JKSUJKDBSA-N 2 0 346.431 -0.146 20 0 EBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127778890 828328559 /nfs/dbraw/zinc/32/85/59/828328559.db2.gz HSGVOEBHSFSGSR-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127786225 828332250 /nfs/dbraw/zinc/33/22/50/828332250.db2.gz WTEKPPRTXIEMIU-KBPBESRZSA-N 2 0 326.441 -0.672 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001130708804 828919698 /nfs/dbraw/zinc/91/96/98/828919698.db2.gz IPQLFDNPVVGWKG-CQSZACIVSA-N 2 0 348.513 -0.248 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001130708852 828919997 /nfs/dbraw/zinc/91/99/97/828919997.db2.gz KLDQUXDSUNKFNQ-NWDGAFQWSA-N 2 0 327.429 -0.604 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130726454 828922566 /nfs/dbraw/zinc/92/25/66/828922566.db2.gz YSYPBWUWCBSCFZ-KCQAQPDRSA-N 2 0 348.451 -0.998 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2[NH2+]CCCO)c1 ZINC001130725702 828922626 /nfs/dbraw/zinc/92/26/26/828922626.db2.gz ACEXCDUEUIQFQK-OFQRWUPVSA-N 2 0 335.452 -0.362 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130808420 828944447 /nfs/dbraw/zinc/94/44/47/828944447.db2.gz ATPWYVVGIGIGON-UHFFFAOYSA-N 2 0 326.441 -0.527 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001184858057 833341592 /nfs/dbraw/zinc/34/15/92/833341592.db2.gz FZSCQZALBDQMDY-RBSFLKMASA-N 2 0 338.452 -0.434 20 0 EBADRP CN(CC[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1)S(C)(=O)=O ZINC001130869592 828984871 /nfs/dbraw/zinc/98/48/71/828984871.db2.gz BHOLDYNOTORKKC-UHFFFAOYSA-N 2 0 339.421 -0.455 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([NH2+]C[C@@H](O)Cn3cccn3)C2)CC1 ZINC001185214784 833350062 /nfs/dbraw/zinc/35/00/62/833350062.db2.gz XRUNMGSRMHBJMU-HUUCEWRRSA-N 2 0 335.452 -0.224 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001185249516 833351440 /nfs/dbraw/zinc/35/14/40/833351440.db2.gz ZDLKWKXMRIPCDX-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CCOC(=O)C1(NC(=O)[C@H]2C[N@H+](C)CCN2C)CC[NH+](C)CC1 ZINC001185261813 833352860 /nfs/dbraw/zinc/35/28/60/833352860.db2.gz HSQQIROEEVYAPP-CYBMUJFWSA-N 2 0 326.441 -0.624 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185385193 833357234 /nfs/dbraw/zinc/35/72/34/833357234.db2.gz LYZLKXKBCNXCRN-MRXNPFEDSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001185408652 833357946 /nfs/dbraw/zinc/35/79/46/833357946.db2.gz VCWITCVZDIPBOK-CYBMUJFWSA-N 2 0 332.470 -0.836 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185416602 833358466 /nfs/dbraw/zinc/35/84/66/833358466.db2.gz YNKVIVNUVXGZJS-CYBMUJFWSA-N 2 0 341.456 -0.390 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)COCC[NH+](C)C)C[C@@H]1C ZINC001185492372 833360148 /nfs/dbraw/zinc/36/01/48/833360148.db2.gz OBJLDHADRYFCTB-KBPBESRZSA-N 2 0 328.457 -0.615 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001185651103 833364878 /nfs/dbraw/zinc/36/48/78/833364878.db2.gz RUXHECAJPBTIDK-QWHCGFSZSA-N 2 0 339.440 -0.493 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001185550562 833361107 /nfs/dbraw/zinc/36/11/07/833361107.db2.gz UUGZGRJNNZSDOW-CHWSQXEVSA-N 2 0 341.456 -0.403 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131374449 829118767 /nfs/dbraw/zinc/11/87/67/829118767.db2.gz AQSREVNWONLZJD-OAHLLOKOSA-N 2 0 336.392 -0.322 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC(=O)NCC[N@@H+](C[C@H]2CCOC2)CC1 ZINC001131381249 829121024 /nfs/dbraw/zinc/12/10/24/829121024.db2.gz KNZYBPBSUXBPOK-OAHLLOKOSA-N 2 0 340.468 -0.375 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001185676132 833366398 /nfs/dbraw/zinc/36/63/98/833366398.db2.gz MKDVGBGJOICUJM-GFCCVEGCSA-N 2 0 339.440 -0.636 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001185724267 833368281 /nfs/dbraw/zinc/36/82/81/833368281.db2.gz WUKNPINGYKPODU-GFCCVEGCSA-N 2 0 341.456 -0.390 20 0 EBADRP COc1ccc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)nn1 ZINC001131520275 829152742 /nfs/dbraw/zinc/15/27/42/829152742.db2.gz WQYPPCJGFRHDPV-KDJCLPLCSA-N 2 0 347.419 -0.446 20 0 EBADRP Cc1nccnc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131521774 829154148 /nfs/dbraw/zinc/15/41/48/829154148.db2.gz HDFZCFLTUMSIQC-GNHJJJEISA-N 2 0 331.420 -0.146 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001131564325 829159491 /nfs/dbraw/zinc/15/94/91/829159491.db2.gz HPJLWZAIHMFPCC-CJNGLKHVSA-N 2 0 326.441 -0.591 20 0 EBADRP O=C(NCC[NH2+]C[C@H](O)Cn1cccn1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790164 829218415 /nfs/dbraw/zinc/21/84/15/829218415.db2.gz HPOQFRWYHAPPJN-JKSUJKDBSA-N 2 0 335.452 -0.176 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CCNS(C)(=O)=O)CCCCC1 ZINC001131799765 829223166 /nfs/dbraw/zinc/22/31/66/829223166.db2.gz UXBSILCAIVSDFM-UHFFFAOYSA-N 2 0 348.513 -0.247 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)CC[N@H+](C)C1CCCCC1)C(=O)NC(N)=O ZINC001131822130 829229850 /nfs/dbraw/zinc/22/98/50/829229850.db2.gz JSABSMUXJSUSNI-GFCCVEGCSA-N 2 0 341.456 -0.070 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001186487296 833403370 /nfs/dbraw/zinc/40/33/70/833403370.db2.gz JAPMOWWJCSGDFQ-CQSZACIVSA-N 2 0 346.497 -0.446 20 0 EBADRP CC(C)(C(=O)NCC[NH2+]CCN1CCCS1(=O)=O)[NH+]1CCCC1 ZINC001132283926 829405587 /nfs/dbraw/zinc/40/55/87/829405587.db2.gz ORWZOVJPOONFOA-UHFFFAOYSA-N 2 0 346.497 -0.398 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132286650 829407358 /nfs/dbraw/zinc/40/73/58/829407358.db2.gz KXLIBBYXBLXKRX-NSHDSACASA-N 2 0 327.429 -0.589 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001132742807 829513053 /nfs/dbraw/zinc/51/30/53/829513053.db2.gz IRRFLDVRVAMWTK-AWEZNQCLSA-N 2 0 338.452 -0.037 20 0 EBADRP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132858710 829539307 /nfs/dbraw/zinc/53/93/07/829539307.db2.gz GBAVRBDUXZYXME-ZIAGYGMSSA-N 2 0 328.457 -0.284 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)CC[N@@H+]1C ZINC001132886209 829545066 /nfs/dbraw/zinc/54/50/66/829545066.db2.gz FYBFPTPFCMZYJY-STQMWFEESA-N 2 0 334.486 -0.686 20 0 EBADRP C[NH+](C)Cc1ccoc1C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001132985730 829567334 /nfs/dbraw/zinc/56/73/34/829567334.db2.gz PKJORYVSTCQBTO-UHFFFAOYSA-N 2 0 336.392 -0.190 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CC2CCS(=O)(=O)CC2)CC1 ZINC001132993459 829569194 /nfs/dbraw/zinc/56/91/94/829569194.db2.gz VIRVFYIUHBTNGB-UHFFFAOYSA-N 2 0 331.482 -0.141 20 0 EBADRP C[NH+](C)CCCC(=O)NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001133051409 829577904 /nfs/dbraw/zinc/57/79/04/829577904.db2.gz FUGQIOIRECAXKC-LSDHHAIUSA-N 2 0 331.457 -0.410 20 0 EBADRP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133051761 829578326 /nfs/dbraw/zinc/57/83/26/829578326.db2.gz NSACHGKHHXWELX-CYBMUJFWSA-N 2 0 343.472 -0.096 20 0 EBADRP CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133051762 829578751 /nfs/dbraw/zinc/57/87/51/829578751.db2.gz NSACHGKHHXWELX-ZDUSSCGKSA-N 2 0 343.472 -0.096 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C2CC[NH+](C)CC2)CCO1 ZINC001133281604 829614517 /nfs/dbraw/zinc/61/45/17/829614517.db2.gz DPEPXNSACBQXGS-CYBMUJFWSA-N 2 0 326.441 -0.719 20 0 EBADRP C[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)CC1 ZINC001133281617 829615018 /nfs/dbraw/zinc/61/50/18/829615018.db2.gz DYPUCYCRKRRPMM-UHFFFAOYSA-N 2 0 341.456 -0.342 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC001133291512 829617148 /nfs/dbraw/zinc/61/71/48/829617148.db2.gz SROGUMIIVUOMMY-UHFFFAOYSA-N 2 0 342.465 -0.378 20 0 EBADRP CC(C)[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1)[NH+](C)C ZINC001133434485 829631173 /nfs/dbraw/zinc/63/11/73/829631173.db2.gz TWRNDQXDNBGLTO-DZGCQCFKSA-N 2 0 328.457 -0.569 20 0 EBADRP CC(C)[C@H](C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O)[NH+](C)C ZINC001133434510 829631594 /nfs/dbraw/zinc/63/15/94/829631594.db2.gz VFOUEEAWXANPRX-GFCCVEGCSA-N 2 0 341.456 -0.391 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COCCOC)C1 ZINC001186834986 833432723 /nfs/dbraw/zinc/43/27/23/833432723.db2.gz ZJBKVWKHNLOYDN-HUUCEWRRSA-N 2 0 331.457 -0.457 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001133819994 829679103 /nfs/dbraw/zinc/67/91/03/829679103.db2.gz URPYOAQYYLAJAS-ZDUSSCGKSA-N 2 0 332.470 -0.788 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133831514 829680862 /nfs/dbraw/zinc/68/08/62/829680862.db2.gz PHZITWCCHPKKJB-VXGBXAGGSA-N 2 0 327.429 -0.589 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001133823937 829681215 /nfs/dbraw/zinc/68/12/15/829681215.db2.gz STRLCBVHEKEKCP-LBPRGKRZSA-N 2 0 325.413 -0.882 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133846331 829685090 /nfs/dbraw/zinc/68/50/90/829685090.db2.gz YZDXGUIJXKVMCJ-LBPRGKRZSA-N 2 0 327.429 -0.730 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001133845416 829685215 /nfs/dbraw/zinc/68/52/15/829685215.db2.gz FJWGYTVGKNGENZ-KBPBESRZSA-N 2 0 331.482 -0.141 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)Nc1ncccn1 ZINC001133845732 829685229 /nfs/dbraw/zinc/68/52/29/829685229.db2.gz MMPAUCPESXWVGG-CHWSQXEVSA-N 2 0 334.424 -0.149 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)Nc1ncccn1 ZINC001133845734 829685401 /nfs/dbraw/zinc/68/54/01/829685401.db2.gz MMPAUCPESXWVGG-QWHCGFSZSA-N 2 0 334.424 -0.149 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCNC(=O)C[N@H+]2CC[C@H](C)C2)n(C)n1 ZINC001133849747 829686388 /nfs/dbraw/zinc/68/63/88/829686388.db2.gz CYBMYZZQWSIMCM-LBPRGKRZSA-N 2 0 336.440 -0.285 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001133851022 829686517 /nfs/dbraw/zinc/68/65/17/829686517.db2.gz UZMPJKIDWZKYNY-HUUCEWRRSA-N 2 0 343.468 -0.410 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001133862826 829688298 /nfs/dbraw/zinc/68/82/98/829688298.db2.gz GKLXOEPKNPWEAK-STQMWFEESA-N 2 0 334.486 -0.829 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001133867458 829689123 /nfs/dbraw/zinc/68/91/23/829689123.db2.gz VCFZKLRVMSGRJL-RYUDHWBXSA-N 2 0 339.440 -0.780 20 0 EBADRP COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133896727 829694816 /nfs/dbraw/zinc/69/48/16/829694816.db2.gz QLMNTYWNSMCHMQ-LSDHHAIUSA-N 2 0 345.484 -0.164 20 0 EBADRP C[N@H+](CC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1)CC(C)(C)C ZINC001133899267 829695548 /nfs/dbraw/zinc/69/55/48/829695548.db2.gz AKFDKMHNLCCFMQ-UHFFFAOYSA-N 2 0 341.456 -0.342 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133905459 829696195 /nfs/dbraw/zinc/69/61/95/829696195.db2.gz AQYAYPHNXSZOQB-AWEZNQCLSA-N 2 0 333.473 -0.306 20 0 EBADRP C[N@H+](CC(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O)CC(C)(C)C ZINC001133905812 829696546 /nfs/dbraw/zinc/69/65/46/829696546.db2.gz IMOOFYLICRBNKQ-AWEZNQCLSA-N 2 0 342.484 -0.347 20 0 EBADRP C[C@@H](COCC(=O)NCC[NH2+][C@@H]1CCCNC1=O)[NH+]1CCCC1 ZINC001134021011 829713370 /nfs/dbraw/zinc/71/33/70/829713370.db2.gz NVWBNFFQUAVVFK-UONOGXRCSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@H](COCC(=O)NCC[NH2+]CC(=O)NCC1CC1)[NH+]1CCCC1 ZINC001134054409 829718698 /nfs/dbraw/zinc/71/86/98/829718698.db2.gz IHPCUWMXVXUOPP-CQSZACIVSA-N 2 0 340.468 -0.281 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134582977 829797119 /nfs/dbraw/zinc/79/71/19/829797119.db2.gz CMDUXYDTHXEZRG-NWDGAFQWSA-N 2 0 341.456 -0.201 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583679 829797240 /nfs/dbraw/zinc/79/72/40/829797240.db2.gz NDMQXTXJRHTOCC-WDEREUQCSA-N 2 0 327.429 -0.462 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001134613272 829804155 /nfs/dbraw/zinc/80/41/55/829804155.db2.gz UKERFGMNYLFBLM-WDEREUQCSA-N 2 0 327.429 -0.462 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001134758992 829839557 /nfs/dbraw/zinc/83/95/57/829839557.db2.gz DVAKEWGESIWIGL-AWEZNQCLSA-N 2 0 348.513 -0.104 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780425 829844706 /nfs/dbraw/zinc/84/47/06/829844706.db2.gz GLDFGTITSMKJNP-UHFFFAOYSA-N 2 0 348.513 -0.294 20 0 EBADRP CN(CC[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)S(C)(=O)=O ZINC001135095941 829898183 /nfs/dbraw/zinc/89/81/83/829898183.db2.gz XEWNWJLZRORAIX-UONOGXRCSA-N 2 0 346.497 -0.400 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)CCC[NH+](C)C ZINC001135315436 829943464 /nfs/dbraw/zinc/94/34/64/829943464.db2.gz OMMRYKDVBHKGBW-CHWSQXEVSA-N 2 0 336.502 -0.250 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)c1ccc(C[NH+](C)C)cc1)C(=O)NC(N)=O ZINC001135336519 829947342 /nfs/dbraw/zinc/94/73/42/829947342.db2.gz ALOVOBWPOGQEEO-LLVKDONJSA-N 2 0 335.408 -0.349 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CC(=O)N1CCOCC1)NC(=O)CC[NH+](C)C ZINC001135372914 829955184 /nfs/dbraw/zinc/95/51/84/829955184.db2.gz UFNCNFHKPUOXAJ-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CCN1CCCS1(=O)=O)NC(=O)CC[NH+](C)C ZINC001135371845 829955323 /nfs/dbraw/zinc/95/53/23/829955323.db2.gz JQMAVHPKANGAJE-ZIAGYGMSSA-N 2 0 348.513 -0.154 20 0 EBADRP CC1CC[NH+](CC(=O)NCC[NH2+]CC(=O)N2CCO[C@@H](C)C2)CC1 ZINC001135702758 830013125 /nfs/dbraw/zinc/01/31/25/830013125.db2.gz QVZMHGNLDIXZBP-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)COCC[NH+](C)C)[NH2+]CC(=O)NC1CC1 ZINC001135922930 830046851 /nfs/dbraw/zinc/04/68/51/830046851.db2.gz DIEWLIDTJSQZBG-OLZOCXBDSA-N 2 0 328.457 -0.284 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC1CC1)NC(=O)COCC[NH+](C)C ZINC001135924104 830047383 /nfs/dbraw/zinc/04/73/83/830047383.db2.gz QOSVQNWPRMQQPJ-ZIAGYGMSSA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CCn1cncn1)NC(=O)COCC[NH+](C)C ZINC001135925052 830047467 /nfs/dbraw/zinc/04/74/67/830047467.db2.gz XMHHWCVPGHECAL-ZIAGYGMSSA-N 2 0 326.445 -0.271 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CCNC(=O)C1CC1)NC(=O)COCC[NH+](C)C ZINC001135923665 830047623 /nfs/dbraw/zinc/04/76/23/830047623.db2.gz MOFBJIAPJNTGNI-KBPBESRZSA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)COCC[NH+](C)C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001135923429 830047628 /nfs/dbraw/zinc/04/76/28/830047628.db2.gz KBSGCTGYQFJQOK-NEPJUHHUSA-N 2 0 342.444 -0.941 20 0 EBADRP CCCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135924698 830047809 /nfs/dbraw/zinc/04/78/09/830047809.db2.gz VPXQKONRAWVPQJ-KGLIPLIRSA-N 2 0 330.473 -0.036 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]Cc1nnnn1C)NC(=O)COCC[NH+](C)C ZINC001135925108 830047991 /nfs/dbraw/zinc/04/79/91/830047991.db2.gz YILZZRPRZQVIQJ-VXGBXAGGSA-N 2 0 327.433 -0.839 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938564 830048941 /nfs/dbraw/zinc/04/89/41/830048941.db2.gz LIJJPTRERCCYQT-RYUDHWBXSA-N 2 0 339.440 -0.589 20 0 EBADRP CN1CCC[C@H]([NH2+]CCNC(=O)COC2CC[NH+](C)CC2)C1=O ZINC001135959335 830052247 /nfs/dbraw/zinc/05/22/47/830052247.db2.gz OSPPJOHOLJZWEJ-AWEZNQCLSA-N 2 0 326.441 -0.576 20 0 EBADRP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135963384 830052716 /nfs/dbraw/zinc/05/27/16/830052716.db2.gz INKBIKQKXIXCJL-ZDUSSCGKSA-N 2 0 328.457 -0.282 20 0 EBADRP CCS(=O)(=O)CCC[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135963251 830053261 /nfs/dbraw/zinc/05/32/61/830053261.db2.gz CXAXJJPEVLOGGV-UHFFFAOYSA-N 2 0 349.497 -0.372 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CCN(C)S(C)(=O)=O)NC(=O)C[NH+]1CCCC1 ZINC001146338686 830193796 /nfs/dbraw/zinc/19/37/96/830193796.db2.gz GZDSWTVIBSHYCQ-KBPBESRZSA-N 2 0 348.513 -0.154 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)CC1 ZINC001146383063 830195779 /nfs/dbraw/zinc/19/57/79/830195779.db2.gz AXBCOZDUOCQPMU-UHFFFAOYSA-N 2 0 348.513 -0.296 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)N(C)Cc1cnn(C)c1 ZINC001146711747 830222394 /nfs/dbraw/zinc/22/23/94/830222394.db2.gz VYEPMXROIFYXLQ-UHFFFAOYSA-N 2 0 338.456 -0.574 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC(C)C ZINC001146712036 830223186 /nfs/dbraw/zinc/22/31/86/830223186.db2.gz ZZGKWDGPGPVLCJ-GFCCVEGCSA-N 2 0 329.445 -0.343 20 0 EBADRP CC[N@H+](C)[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)c1ccccc1 ZINC001147461422 830347400 /nfs/dbraw/zinc/34/74/00/830347400.db2.gz XEPKIRPSGFLNMF-AWEZNQCLSA-N 2 0 335.408 -0.420 20 0 EBADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001147835556 830417632 /nfs/dbraw/zinc/41/76/32/830417632.db2.gz UCQKRSNVHANKAT-STQMWFEESA-N 2 0 339.440 -0.636 20 0 EBADRP C[C@H]1CCCCN1C(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147842058 830419144 /nfs/dbraw/zinc/41/91/44/830419144.db2.gz KZKRHYIOWKYIBJ-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP COCCS(=O)(=O)CCC[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147893716 830426940 /nfs/dbraw/zinc/42/69/40/830426940.db2.gz RVFUZSPAPFQHIV-CQSZACIVSA-N 2 0 349.497 -0.515 20 0 EBADRP Cc1csc(=O)n1CC[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147892959 830427306 /nfs/dbraw/zinc/42/73/06/830427306.db2.gz MGNDWHTZYOUTLI-UHFFFAOYSA-N 2 0 330.454 -0.498 20 0 EBADRP O=C(NCCC[NH2+]CCNC(=O)C12CC[NH+](CC1)C2)C(F)(F)F ZINC001147977871 830434455 /nfs/dbraw/zinc/43/44/55/830434455.db2.gz YJMKMRRZXLIEKA-UHFFFAOYSA-N 2 0 336.358 -0.143 20 0 EBADRP O=C(NCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1)C12CC[NH+](CC1)C2 ZINC001147999838 830436936 /nfs/dbraw/zinc/43/69/36/830436936.db2.gz FWQWRNNJPMRTNS-CABCVRRESA-N 2 0 341.452 -0.656 20 0 EBADRP C[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](CCN1C(=O)CNC1=O)C2 ZINC001148215608 830457866 /nfs/dbraw/zinc/45/78/66/830457866.db2.gz CTALCIWJXGZZCQ-UHFFFAOYSA-N 2 0 337.424 -0.976 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCOCCO)C2 ZINC001148291695 830464960 /nfs/dbraw/zinc/46/49/60/830464960.db2.gz BBOUMYDENRDYQY-GJZGRUSLSA-N 2 0 325.453 -0.273 20 0 EBADRP COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148360515 830475803 /nfs/dbraw/zinc/47/58/03/830475803.db2.gz WIGHWSNREULQBF-LSDHHAIUSA-N 2 0 333.473 -0.164 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)NC(=O)NCC(C)C ZINC001148577864 830512248 /nfs/dbraw/zinc/51/22/48/830512248.db2.gz HAALAUIKLRPVII-UHFFFAOYSA-N 2 0 343.472 -0.094 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001148642010 830522337 /nfs/dbraw/zinc/52/23/37/830522337.db2.gz BQCNZZNTJMLUSY-UHFFFAOYSA-N 2 0 329.445 -0.342 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)NCCCOC(C)C ZINC001148655025 830525372 /nfs/dbraw/zinc/52/53/72/830525372.db2.gz FPXOTYHCTKFVCJ-UHFFFAOYSA-N 2 0 330.473 -0.035 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCOCCO)CCCO1 ZINC001149399337 830657273 /nfs/dbraw/zinc/65/72/73/830657273.db2.gz SBYBNRNJMAZSGD-GJZGRUSLSA-N 2 0 329.441 -0.703 20 0 EBADRP CC[C@H](C(=O)NC[C@H]1C[N@H+](C[C@H](O)COC)CCCO1)[NH+](C)C ZINC001149889481 830777465 /nfs/dbraw/zinc/77/74/65/830777465.db2.gz OHPCEENIWBOSNC-SOUVJXGZSA-N 2 0 331.457 -0.459 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001150092290 830818270 /nfs/dbraw/zinc/81/82/70/830818270.db2.gz RRRHBGGEFGXJNP-QLFBSQMISA-N 2 0 329.441 -0.705 20 0 EBADRP CN1CCC[C@H]([N@@H+]2CCCO[C@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001150240062 830845410 /nfs/dbraw/zinc/84/54/10/830845410.db2.gz AXUREIYJOIEWOC-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001150291867 830859485 /nfs/dbraw/zinc/85/94/85/830859485.db2.gz PILSDJJARFWVTQ-HRCADAONSA-N 2 0 345.484 -0.213 20 0 EBADRP CNC(=O)CN1CCC(CCOC)(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001151021657 831012598 /nfs/dbraw/zinc/01/25/98/831012598.db2.gz ZYMUKBZVIXYUKS-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@H](O)COCc2ccco2)C1 ZINC001151064691 831019617 /nfs/dbraw/zinc/01/96/17/831019617.db2.gz DEBXQWVTVAQPMS-KBPBESRZSA-N 2 0 325.409 -0.185 20 0 EBADRP Cn1ccc(N2CCC[C@@H]([NH2+]CCNC(=O)[C@H]3CC[N@H+](C)C3)C2=O)n1 ZINC001151066509 831019622 /nfs/dbraw/zinc/01/96/22/831019622.db2.gz VFAVWJCXHSMNQG-UONOGXRCSA-N 2 0 348.451 -0.427 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F)C1 ZINC001151066763 831020937 /nfs/dbraw/zinc/02/09/37/831020937.db2.gz YLQJAPOPUYKBFA-QWRGUYRKSA-N 2 0 327.347 -0.416 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C[NH+]1CCCC1)C(=O)NC[C@H]1CCCO1 ZINC001151107053 831026738 /nfs/dbraw/zinc/02/67/38/831026738.db2.gz PODXJCAAZIOLDG-ZIAGYGMSSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)NCC1CCC1 ZINC001151152296 831031898 /nfs/dbraw/zinc/03/18/98/831031898.db2.gz NUAYEQTXHWNWNX-CQSZACIVSA-N 2 0 340.468 -0.423 20 0 EBADRP CCCC[C@@H]([NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1)C(N)=O ZINC001151156800 831034120 /nfs/dbraw/zinc/03/41/20/831034120.db2.gz HBBCQPRADOBRNF-ZIAGYGMSSA-N 2 0 328.457 -0.295 20 0 EBADRP O=C(CC[NH+]1CCCCC1)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001152340582 831154398 /nfs/dbraw/zinc/15/43/98/831154398.db2.gz SCCCRCQQGCJWNF-UHFFFAOYSA-N 2 0 346.497 -0.396 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC001152426332 831162260 /nfs/dbraw/zinc/16/22/60/831162260.db2.gz GNFHXHPMPRETNN-UHFFFAOYSA-N 2 0 341.456 -0.199 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152471720 831165509 /nfs/dbraw/zinc/16/55/09/831165509.db2.gz ODGDREAEAKFRLA-AWEZNQCLSA-N 2 0 341.456 -0.342 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[N@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155023980 831380034 /nfs/dbraw/zinc/38/00/34/831380034.db2.gz QDLVOHCLVXBAEV-CHWSQXEVSA-N 2 0 343.472 -0.001 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155790635 831429872 /nfs/dbraw/zinc/42/98/72/831429872.db2.gz KRBGKYMVQXEBOI-NWDGAFQWSA-N 2 0 327.429 -0.589 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2C)n(C)n1 ZINC001155822165 831433267 /nfs/dbraw/zinc/43/32/67/831433267.db2.gz KAOOUERNYWZBRI-CYBMUJFWSA-N 2 0 336.440 -0.143 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001157323029 831553644 /nfs/dbraw/zinc/55/36/44/831553644.db2.gz JPACDROCFREPNV-GRDNDAEWSA-N 2 0 340.468 -0.105 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001157323770 831554053 /nfs/dbraw/zinc/55/40/53/831554053.db2.gz NHVNQTQJJZGANB-JKIFEVAISA-N 2 0 340.468 -0.105 20 0 EBADRP C[C@@]1(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)CC[NH2+]C[C@@H]1O ZINC001157370782 831562449 /nfs/dbraw/zinc/56/24/49/831562449.db2.gz GXSWTBIFJYLUHP-GRDNDAEWSA-N 2 0 340.468 -0.417 20 0 EBADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001157448689 831566625 /nfs/dbraw/zinc/56/66/25/831566625.db2.gz FZKVMYVYRQJEML-CQSZACIVSA-N 3 0 326.441 -0.414 20 0 EBADRP CCOC(=O)CC1([NH3+])CCN(C(=O)CNC2CC[NH2+]CC2)CC1 ZINC001157448740 831567984 /nfs/dbraw/zinc/56/79/84/831567984.db2.gz IECHMGSCMCCTCO-UHFFFAOYSA-N 2 0 326.441 -0.399 20 0 EBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001157717015 831586719 /nfs/dbraw/zinc/58/67/19/831586719.db2.gz WFTRXPPWCRIODZ-XAYKYTGQSA-N 2 0 344.415 -0.457 20 0 EBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)c1csc(N2CC[NH2+]CC2)n1 ZINC001157720103 831587860 /nfs/dbraw/zinc/58/78/60/831587860.db2.gz AINFVJSFTCTXRM-NSHDSACASA-N 2 0 325.438 -0.387 20 0 EBADRP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)CC1 ZINC001157738641 831589405 /nfs/dbraw/zinc/58/94/05/831589405.db2.gz ASGXVVTWTLAXBW-WFASDCNBSA-N 2 0 326.416 -0.218 20 0 EBADRP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1 ZINC001157843472 831597191 /nfs/dbraw/zinc/59/71/91/831597191.db2.gz RFDVYUVPVHJCDC-RDBSUJKOSA-N 2 0 348.451 -0.100 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O ZINC001157886493 831603104 /nfs/dbraw/zinc/60/31/04/831603104.db2.gz IEEABIRKEKDPER-AWEZNQCLSA-N 2 0 348.513 -0.154 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001157886772 831603269 /nfs/dbraw/zinc/60/32/69/831603269.db2.gz MKZKLAAZWAJHHB-ZDUSSCGKSA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@@H]1O ZINC001157998262 831618013 /nfs/dbraw/zinc/61/80/13/831618013.db2.gz VPKJXQFZWCCGSH-XUXIUFHCSA-N 2 0 326.441 -0.727 20 0 EBADRP CCOC(=O)[C@H]1CNCCN1C(=O)[C@H]1C[N@@H+](C(C)(C)C)CCN1 ZINC001158005942 831618783 /nfs/dbraw/zinc/61/87/83/831618783.db2.gz FTHLTPWGSGQUDA-CHWSQXEVSA-N 2 0 326.441 -0.578 20 0 EBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158032227 831620876 /nfs/dbraw/zinc/62/08/76/831620876.db2.gz RTTIOERVXOCSGD-ZQIUZPCESA-N 2 0 340.468 -0.417 20 0 EBADRP O=C(NCCC[NH2+]CCN1CCNC1=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158038109 831621982 /nfs/dbraw/zinc/62/19/82/831621982.db2.gz NBAPGZDBHVXXRL-HUUCEWRRSA-N 2 0 337.468 -0.018 20 0 EBADRP CC(C)(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)[NH+]1CCCCC1 ZINC001158074270 831625255 /nfs/dbraw/zinc/62/52/55/831625255.db2.gz XKMGAFMFLNGFII-UHFFFAOYSA-N 2 0 327.429 -0.458 20 0 EBADRP O=C([C@@H]1CC[NH2+][C@H]1c1cccnc1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091399 831625837 /nfs/dbraw/zinc/62/58/37/831625837.db2.gz CKNVRTGBDALTKK-KMFMINBZSA-N 2 0 329.404 -0.577 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102232 831628325 /nfs/dbraw/zinc/62/83/25/831628325.db2.gz PRKDXVYURLALFS-XJKSGUPXSA-N 2 0 338.358 -0.475 20 0 EBADRP O=C(C[C@@H]1C[NH2+]CC1(F)F)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120198 831629697 /nfs/dbraw/zinc/62/96/97/831629697.db2.gz KCODBMBDCCSJLS-YGRLFVJLSA-N 2 0 328.363 -0.831 20 0 EBADRP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158118634 831629889 /nfs/dbraw/zinc/62/98/89/831629889.db2.gz CBLZTSYTPICUOO-IINYFYTJSA-N 2 0 328.363 -0.831 20 0 EBADRP C[NH2+]Cc1ccc(C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)cc1 ZINC001158121244 831630817 /nfs/dbraw/zinc/63/08/17/831630817.db2.gz YSNNHUCFONWGIX-SFHVURJKSA-N 2 0 328.416 -0.042 20 0 EBADRP O=C([C@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCC[C@]12CCC[NH2+]C2 ZINC001158160788 831632905 /nfs/dbraw/zinc/63/29/05/831632905.db2.gz MCRZCYCLNGVENJ-CJNGLKHVSA-N 2 0 345.451 -0.331 20 0 EBADRP O=C([C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260779 831640805 /nfs/dbraw/zinc/64/08/05/831640805.db2.gz GWIUGSIJGMGNDD-MELADBBJSA-N 2 0 346.435 -0.534 20 0 EBADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158414818 831652624 /nfs/dbraw/zinc/65/26/24/831652624.db2.gz IITSDXDCSZXTBB-OUCADQQQSA-N 2 0 332.408 -0.723 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158421799 831653389 /nfs/dbraw/zinc/65/33/89/831653389.db2.gz GFUWXPOMNFCSID-AJNGGQMLSA-N 3 0 337.468 -0.604 20 0 EBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158486143 831658488 /nfs/dbraw/zinc/65/84/88/831658488.db2.gz GQOFNPMFLJAWAK-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)nn1 ZINC001158486584 831659054 /nfs/dbraw/zinc/65/90/54/831659054.db2.gz OSEANZBLEQLZPE-GJZGRUSLSA-N 2 0 349.435 -0.056 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1CCSC12C[NH2+]C2 ZINC001158495615 831660159 /nfs/dbraw/zinc/66/01/59/831660159.db2.gz AAQSBUIHSLCKIT-ZDEQEGDKSA-N 2 0 339.461 -0.167 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)CC1([NH3+])CCOCC1 ZINC001158497980 831660679 /nfs/dbraw/zinc/66/06/79/831660679.db2.gz LCYQKKATGCSKGA-RWMBFGLXSA-N 2 0 325.409 -0.364 20 0 EBADRP O=C(NCCC[NH2+]CCN1CCCC1=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158505368 831660750 /nfs/dbraw/zinc/66/07/50/831660750.db2.gz BYKOUHUMRBBQGI-HUUCEWRRSA-N 2 0 338.452 -0.432 20 0 EBADRP CC(C)CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158506169 831662166 /nfs/dbraw/zinc/66/21/66/831662166.db2.gz IHKAPQGNGWDOEB-CABCVRRESA-N 2 0 340.468 -0.282 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(c1ncnc3c1CC[NH2+]CC3)CC2 ZINC001158636389 831672279 /nfs/dbraw/zinc/67/22/79/831672279.db2.gz KYYKIEMYENCLLD-PBHICJAKSA-N 2 0 331.420 -0.104 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001158694175 831679356 /nfs/dbraw/zinc/67/93/56/831679356.db2.gz TUMQDFLDKGPHSW-NHIYQJMISA-N 2 0 338.452 -0.319 20 0 EBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@]1(N)CCC[NH2+]C1)CC2 ZINC001158891016 831693567 /nfs/dbraw/zinc/69/35/67/831693567.db2.gz SSZDXZSPRPJQSE-KRWDZBQOSA-N 2 0 337.468 -0.730 20 0 EBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@]13C[NH2+]C[C@@H]1CCN3)CC2 ZINC001158890291 831693787 /nfs/dbraw/zinc/69/37/87/831693787.db2.gz CGEOLCQYZZYADX-KBXCAEBGSA-N 2 0 349.479 -0.859 20 0 EBADRP COC[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)Cc2cn(C)nc21 ZINC001159017164 831704669 /nfs/dbraw/zinc/70/46/69/831704669.db2.gz ANYPGIJWUQGIBR-CKEIUWERSA-N 2 0 333.436 -0.309 20 0 EBADRP COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@H]1CC[C@@H]1[NH3+] ZINC001159077616 831707007 /nfs/dbraw/zinc/70/70/07/831707007.db2.gz RLTCSXLBKHQTMQ-XJIUQZFPSA-N 2 0 339.436 -0.021 20 0 EBADRP CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@H]([NH3+])C3CC[NH2+]CC3)C[C@H]21 ZINC001159108374 831709319 /nfs/dbraw/zinc/70/93/19/831709319.db2.gz ACVHQEKHQYPMIB-LXTVHRRPSA-N 2 0 338.452 -0.687 20 0 EBADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C1 ZINC001159135736 831711201 /nfs/dbraw/zinc/71/12/01/831711201.db2.gz YGWYQBCLEDEFJJ-VQNPYFGKSA-N 2 0 341.481 -0.501 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001159154740 831712220 /nfs/dbraw/zinc/71/22/20/831712220.db2.gz BVCDXRNUBBMZMX-GHMZBOCLSA-N 2 0 333.408 -0.654 20 0 EBADRP Nc1ncn(C2=CC[NH2+]CC2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001159397731 831748872 /nfs/dbraw/zinc/74/88/72/831748872.db2.gz SQRIHLZKOPRCPV-ZYHUDNBSSA-N 2 0 338.843 -0.176 20 0 EBADRP O=C([C@H]1C[NH2+]C[C@@H]1O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159402694 831749970 /nfs/dbraw/zinc/74/99/70/831749970.db2.gz IYNJNNRSNFBVMN-YYFQZIEXSA-N 2 0 347.419 -0.986 20 0 EBADRP N[C@]1(C(=O)N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)CC[NH2+]C1 ZINC001159560952 831761266 /nfs/dbraw/zinc/76/12/66/831761266.db2.gz RDRFYAYTDRWGKV-QGZVFWFLSA-N 2 0 332.452 -0.052 20 0 EBADRP C[C@H]1CCCN1C(=O)c1n[nH]c2c1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC2 ZINC001159607985 831765800 /nfs/dbraw/zinc/76/58/00/831765800.db2.gz DTLWZYHMYOMVIU-AAEUAGOBSA-N 2 0 348.451 -0.015 20 0 EBADRP [NH3+]C[C@H](O)CC(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159668587 831771648 /nfs/dbraw/zinc/77/16/48/831771648.db2.gz YNDJLNKBQVNBGX-OAGGEKHMSA-N 2 0 334.420 -0.407 20 0 EBADRP O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@@H](CCN2C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)O1 ZINC001159769848 831781325 /nfs/dbraw/zinc/78/13/25/831781325.db2.gz PLHPSOSOJBUTLC-YJNKXOJESA-N 2 0 348.447 -0.920 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001159800767 831784087 /nfs/dbraw/zinc/78/40/87/831784087.db2.gz YBURZUUCELGJCR-ZIAGYGMSSA-N 2 0 331.424 -0.196 20 0 EBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001159837200 831786853 /nfs/dbraw/zinc/78/68/53/831786853.db2.gz BPSZQWWSVWNKQD-LBPRGKRZSA-N 2 0 327.429 -0.745 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CCN1CCCS1(=O)=O)C1CC1 ZINC001159915349 831796439 /nfs/dbraw/zinc/79/64/39/831796439.db2.gz JPAIWNUBMHSSKI-AWEZNQCLSA-N 2 0 346.497 -0.542 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001159911422 831796708 /nfs/dbraw/zinc/79/67/08/831796708.db2.gz YLEUEEGZYXKMJP-OLZOCXBDSA-N 2 0 341.456 -0.071 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159932457 831799344 /nfs/dbraw/zinc/79/93/44/831799344.db2.gz RSFGBLKCZXLPFT-CMPLNLGQSA-N 2 0 327.429 -0.733 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCCn2cnc(Cn3cccn3)c2C1 ZINC001159973545 831802153 /nfs/dbraw/zinc/80/21/53/831802153.db2.gz HPVSPWFOHHORKG-CYBMUJFWSA-N 2 0 331.424 -0.074 20 0 EBADRP COC[C@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159997310 831802683 /nfs/dbraw/zinc/80/26/83/831802683.db2.gz LLKKYYMBPMNTKW-GOEBONIOSA-N 2 0 345.484 -0.021 20 0 EBADRP [NH3+]CCC[NH2+]CC(=O)N1CC[C@H]2O[C@H](C(=O)N3CCCC3)CC[C@H]21 ZINC001160025963 831807327 /nfs/dbraw/zinc/80/73/27/831807327.db2.gz GRTSVUTYGWPDCP-KFWWJZLASA-N 2 0 338.452 -0.304 20 0 EBADRP Cc1ccc(N(C(=O)CNCC[NH3+])[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160060465 831811018 /nfs/dbraw/zinc/81/10/18/831811018.db2.gz VGPWKWMQJNSKJJ-YOEHRIQHSA-N 2 0 348.451 -0.423 20 0 EBADRP Cn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@H]([NH3+])CCC[NH3+])[C@@H]2COC[C@H]12 ZINC001160084453 831813468 /nfs/dbraw/zinc/81/34/68/831813468.db2.gz FTGCYCFIPTUSDY-RGCMKSIDSA-N 2 0 349.435 -0.953 20 0 EBADRP [NH3+]CCC[NH2+]CC(=O)N1CCC2(C[C@@H](c3cccnc3)C(=O)N2)CC1 ZINC001160111328 831815107 /nfs/dbraw/zinc/81/51/07/831815107.db2.gz WMJMXCOKMCXGON-HNNXBMFYSA-N 2 0 345.447 -0.015 20 0 EBADRP O=C([C@H]1C[NH2+]C[C@H]1O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160138785 831819094 /nfs/dbraw/zinc/81/90/94/831819094.db2.gz QMUGKVSISHWUSH-XGYYKPKNSA-N 2 0 346.431 -0.238 20 0 EBADRP CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)CCO2 ZINC001160179504 831822887 /nfs/dbraw/zinc/82/28/87/831822887.db2.gz LNKYLLTUULVMHF-RDJZCZTQSA-N 2 0 338.452 -0.447 20 0 EBADRP [NH3+]C[C@H](O)CC(=O)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001160406045 831845300 /nfs/dbraw/zinc/84/53/00/831845300.db2.gz OAGZCFQVKDVRLG-GFCCVEGCSA-N 2 0 345.407 -0.591 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 ZINC001160414831 831845696 /nfs/dbraw/zinc/84/56/96/831845696.db2.gz DJVGUUCTRXTALG-WMLDXEAASA-N 2 0 346.435 -0.112 20 0 EBADRP COCCCNC(=O)C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160426099 831847986 /nfs/dbraw/zinc/84/79/86/831847986.db2.gz DGCVOSQLDHNQGL-HNNXBMFYSA-N 2 0 330.473 -0.179 20 0 EBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCN(CCc2ccccn2)CC1 ZINC001160483687 831854733 /nfs/dbraw/zinc/85/47/33/831854733.db2.gz VILBWEHLYZPBOA-INIZCTEOSA-N 2 0 329.448 -0.423 20 0 EBADRP COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160494944 831857085 /nfs/dbraw/zinc/85/70/85/831857085.db2.gz VWICYHBPWUYLGV-IQJOONFLSA-N 2 0 333.410 -0.941 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC001160505367 831857400 /nfs/dbraw/zinc/85/74/00/831857400.db2.gz CQTRKXRKNACTGY-LSDHHAIUSA-N 2 0 340.468 -0.057 20 0 EBADRP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001160539438 831861092 /nfs/dbraw/zinc/86/10/92/831861092.db2.gz SUUAAGIHTSFEHK-NWDGAFQWSA-N 2 0 332.408 -0.233 20 0 EBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)n1ccc([C@H]2CCC[NH2+]2)nc1=N ZINC001160538708 831861150 /nfs/dbraw/zinc/86/11/50/831861150.db2.gz KIKLGOJQEDAQFL-YPMHNXCESA-N 2 0 334.424 -0.083 20 0 EBADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@]23C(=O)Nc2ccccc23)C[C@H]1O ZINC001160652415 831876573 /nfs/dbraw/zinc/87/65/73/831876573.db2.gz DHZCVSYREYXFII-HSTIPLNKSA-N 2 0 330.388 -0.984 20 0 EBADRP [NH3+][C@@H](CCCCNC(=O)c1ccccn1)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160653147 831877164 /nfs/dbraw/zinc/87/71/64/831877164.db2.gz WIJORBRRVMDDMP-VNHYZAJKSA-N 2 0 349.435 -0.771 20 0 EBADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC1 ZINC001160670375 831877571 /nfs/dbraw/zinc/87/75/71/831877571.db2.gz YGSAAZQRJAPMMF-ZDUSSCGKSA-N 3 0 330.498 -0.281 20 0 EBADRP CCNC(=O)CO[C@@H]1CCCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001160746858 831882872 /nfs/dbraw/zinc/88/28/72/831882872.db2.gz OCKRHJISOGJQCD-UKRRQHHQSA-N 2 0 326.441 -0.543 20 0 EBADRP CCNC(=O)CO[C@H]1CCCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001160747474 831882945 /nfs/dbraw/zinc/88/29/45/831882945.db2.gz SKQPQGAVNYNHDK-RYUDHWBXSA-N 2 0 332.470 -0.851 20 0 EBADRP O=C(NCCC1=CC[N@H+](CCO)CC1)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001160754207 831883084 /nfs/dbraw/zinc/88/30/84/831883084.db2.gz DHAMHECZRHQHBS-UPTPFMHGSA-N 2 0 335.448 -0.020 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3C[NH2+]CCCO3)C[C@H]1C2 ZINC001160792106 831887557 /nfs/dbraw/zinc/88/75/57/831887557.db2.gz PARBPMFCMGPRAG-RBUCKAEESA-N 2 0 337.420 -0.778 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3C[NH2+]C[C@@H](F)C3)C[C@H]1C2 ZINC001160791874 831887705 /nfs/dbraw/zinc/88/77/05/831887705.db2.gz GSGRDKVDHILIHM-OZYNSXBJSA-N 2 0 339.411 -0.209 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3COC(C)(C)[NH2+]3)C[C@H]1C2 ZINC001160794970 831887849 /nfs/dbraw/zinc/88/78/49/831887849.db2.gz RYVABRXFYQXEGH-UOSRWGBYSA-N 2 0 337.420 -0.432 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]3C[C@@H](OC)CC[NH2+]3)C[C@H]1C[NH2+]CC2 ZINC001160813898 831890010 /nfs/dbraw/zinc/89/00/10/831890010.db2.gz KSPPUPZAQHTANU-XJIUQZFPSA-N 2 0 339.436 -0.245 20 0 EBADRP Nc1cccnc1N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001160825779 831892092 /nfs/dbraw/zinc/89/20/92/831892092.db2.gz KQMMQDUXPNNTFV-CXAGYDPISA-N 2 0 330.436 -0.489 20 0 EBADRP CC[C@H](C(=O)NCCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)[NH+](C)C ZINC001160882998 831902885 /nfs/dbraw/zinc/90/28/85/831902885.db2.gz DTVVPFILVDMGOS-ZIAGYGMSSA-N 2 0 348.513 -0.296 20 0 EBADRP [NH3+][C@@H](C(=O)N1CCN(C(=O)c2ccncc2)CC1)C1CC[NH2+]CC1 ZINC001160937118 831908369 /nfs/dbraw/zinc/90/83/69/831908369.db2.gz SSIFDTBNMKCANL-OAHLLOKOSA-N 2 0 331.420 -0.307 20 0 EBADRP O=C([C@@H]1CCCN([C@H]2CC[NH2+]C2)C1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001160999543 831913412 /nfs/dbraw/zinc/91/34/12/831913412.db2.gz HGCRYZKZFVGZFU-PMPSAXMXSA-N 2 0 336.480 -0.224 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000075 831913472 /nfs/dbraw/zinc/91/34/72/831913472.db2.gz OXYLQTLHLHQDEC-STQMWFEESA-N 2 0 326.441 -0.809 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161033413 831916333 /nfs/dbraw/zinc/91/63/33/831916333.db2.gz QCUAWUORQBXPDY-OLZOCXBDSA-N 2 0 341.456 -0.199 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161053496 831917945 /nfs/dbraw/zinc/91/79/45/831917945.db2.gz VBKPVAUNSXQWNW-NEPJUHHUSA-N 2 0 327.429 -0.589 20 0 EBADRP [NH3+]CCN(CCNc1nccc(N2CCC([NH3+])CC2)n1)N(O)N=O ZINC001161092756 831923434 /nfs/dbraw/zinc/92/34/34/831923434.db2.gz ZDFFOSPOAZGWRY-UHFFFAOYSA-N 2 0 339.404 -0.636 20 0 EBADRP CO[C@H](C)C1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001161146866 831931110 /nfs/dbraw/zinc/93/11/10/831931110.db2.gz SPCVLSXIBRAQGA-SNPRPXQTSA-N 2 0 340.468 -0.073 20 0 EBADRP CCOC(=O)CN(CCC[NH3+])C(=O)C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001161158499 831933599 /nfs/dbraw/zinc/93/35/99/831933599.db2.gz VWWDPJRHAQDMCG-MCIONIFRSA-N 2 0 327.425 -0.259 20 0 EBADRP CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)[C@H]1CCC2(C1)OCCO2 ZINC001161220502 831938906 /nfs/dbraw/zinc/93/89/06/831938906.db2.gz ZMOAQCVOASAIPG-UONOGXRCSA-N 2 0 326.441 -0.509 20 0 EBADRP [NH3+]C[C@]1(F)CCN(C(=O)c2ccc3c(c2)[C@@H]2C[NH2+]C[C@@H]2NC3=O)C1 ZINC001161245342 831941138 /nfs/dbraw/zinc/94/11/38/831941138.db2.gz CRDRJFJDWAPXSE-GRDNDAEWSA-N 2 0 332.379 -0.002 20 0 EBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001161261771 831941675 /nfs/dbraw/zinc/94/16/75/831941675.db2.gz JZSDNXUCBFPHHZ-AAEUAGOBSA-N 2 0 328.457 -0.563 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC[C@H](Oc2ncccn2)C1 ZINC001161296682 831945651 /nfs/dbraw/zinc/94/56/51/831945651.db2.gz OQXWGPFPKDIBKQ-LSDHHAIUSA-N 2 0 348.451 -0.403 20 0 EBADRP COc1cc(C)nc(N(C(=O)[C@H]2C[NH2+]C[C@H]2O)C2CC[NH2+]CC2)n1 ZINC001161309471 831946948 /nfs/dbraw/zinc/94/69/48/831946948.db2.gz QHGNNKJTVNHIFB-QWHCGFSZSA-N 2 0 335.408 -0.541 20 0 EBADRP COc1cc(C)nc(N(C(=O)CN2CC[NH2+]CC2)C2CC[NH2+]CC2)n1 ZINC001161309183 831947216 /nfs/dbraw/zinc/94/72/16/831947216.db2.gz MXTAJWYWOFPEOC-UHFFFAOYSA-N 2 0 348.451 -0.216 20 0 EBADRP CC(C)N(C(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)[C@H]1CC[NH2+]C1 ZINC001161350630 831950668 /nfs/dbraw/zinc/95/06/68/831950668.db2.gz ABEPGPCBJQCIRA-KBPBESRZSA-N 2 0 343.493 0.000 20 0 EBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161376722 831951517 /nfs/dbraw/zinc/95/15/17/831951517.db2.gz CRYLDCQAIGYABM-KGLIPLIRSA-N 2 0 343.497 -0.836 20 0 EBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161387877 831952227 /nfs/dbraw/zinc/95/22/27/831952227.db2.gz FTGMTWNFXRORDG-GJZGRUSLSA-N 2 0 340.468 -0.201 20 0 EBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161382286 831952371 /nfs/dbraw/zinc/95/23/71/831952371.db2.gz WMINTVJWUPVUQZ-QWHCGFSZSA-N 2 0 327.429 -0.915 20 0 EBADRP [NH3+][C@H]1CCCCN(CC(=O)N2CCO[C@H](C[NH+]3CCCC3)C2)C1=O ZINC001161390277 831952469 /nfs/dbraw/zinc/95/24/69/831952469.db2.gz XEOOITSKJRFZDH-CABCVRRESA-N 2 0 338.452 -0.351 20 0 EBADRP COc1cc(O[C@H]2CCN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C2)ccn1 ZINC001161395003 831953218 /nfs/dbraw/zinc/95/32/18/831953218.db2.gz QTTOSSYAGLJIAP-UONOGXRCSA-N 2 0 332.404 -0.121 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1C[C@@H]2[C@H]([NH3+])CC[C@@H]2C1 ZINC001161414458 831956157 /nfs/dbraw/zinc/95/61/57/831956157.db2.gz WZNYTQWYDZMZNK-QXSJWSMHSA-N 2 0 330.432 -0.132 20 0 EBADRP C[NH+](C)CCN(C(=O)[C@H]1C[NH2+]Cc2ccnn2C1)[C@@H]1CCC[NH2+]C1 ZINC001161443448 831958104 /nfs/dbraw/zinc/95/81/04/831958104.db2.gz UTJXJYCJLOJPOL-LSDHHAIUSA-N 3 0 334.468 -0.255 20 0 EBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161449527 831958922 /nfs/dbraw/zinc/95/89/22/831958922.db2.gz NNVVYZILGCCCNF-LZWOXQAQSA-N 3 0 341.500 -0.382 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)C1=NO[C@@]3(CC[NH2+]C3)C1)CC2 ZINC001161476502 831962130 /nfs/dbraw/zinc/96/21/30/831962130.db2.gz CRAQJBZBRVPEIR-RCBQFDQVSA-N 2 0 336.392 -0.752 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C1=NO[C@]3(CC[NH2+]C3)C1)CC2 ZINC001161476503 831962610 /nfs/dbraw/zinc/96/26/10/831962610.db2.gz CRAQJBZBRVPEIR-WQVCFCJDSA-N 2 0 336.392 -0.752 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)C[C@H]1C[C@H]3C[NH2+]C[C@H]3O1)CC2 ZINC001161480870 831964362 /nfs/dbraw/zinc/96/43/62/831964362.db2.gz VPXQEYKLQKPWNR-SMRWVPHVSA-N 2 0 337.420 -0.493 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)C[C@H]1C[C@H]3C[NH2+]C[C@H]3O1)CC2 ZINC001161480865 831964527 /nfs/dbraw/zinc/96/45/27/831964527.db2.gz VPXQEYKLQKPWNR-GMIGGYDBSA-N 2 0 337.420 -0.493 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)c1ncn3c1C[NH2+]CC3)CC2 ZINC001161484141 831965152 /nfs/dbraw/zinc/96/51/52/831965152.db2.gz UGNUAIAWNPPYBL-MLGOLLRUSA-N 2 0 333.392 -0.647 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)c1[nH]nc3c1C[NH2+]CC3)CC2 ZINC001161483981 831965215 /nfs/dbraw/zinc/96/52/15/831965215.db2.gz REQNPJNQGYDIRC-BLLLJJGKSA-N 2 0 333.392 -0.577 20 0 EBADRP CO[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@@]23c2ccccc2NC3=O)C[C@@H]1[NH3+] ZINC001161492643 831965874 /nfs/dbraw/zinc/96/58/74/831965874.db2.gz SQBTWFLDHICKRQ-NOSGZIGASA-N 2 0 330.388 -0.720 20 0 EBADRP CO[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CN(c2ccccc2)C3)C[C@@H]1[NH3+] ZINC001161493776 831966013 /nfs/dbraw/zinc/96/60/13/831966013.db2.gz RHKOXPNIDQWYAK-VUNQQRPYSA-N 2 0 330.432 -0.103 20 0 EBADRP CO[C@@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@]23c2ccccc2NC3=O)C[C@@H]1[NH3+] ZINC001161492641 831966165 /nfs/dbraw/zinc/96/61/65/831966165.db2.gz SQBTWFLDHICKRQ-DMVWFOPNSA-N 2 0 330.388 -0.720 20 0 EBADRP C[C@]1(C[NH3+])CCCN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1 ZINC001161489869 831966168 /nfs/dbraw/zinc/96/61/68/831966168.db2.gz QEPGWGRHTCSTHV-DZGCQCFKSA-N 2 0 343.493 -0.012 20 0 EBADRP [NH3+][C@H]1CN(C(=O)[C@@H](c2ccco2)N2CCC([NH3+])CC2)CC12COC2 ZINC001161498969 831966795 /nfs/dbraw/zinc/96/67/95/831966795.db2.gz DJEXLIQFXMNCQC-LSDHHAIUSA-N 2 0 334.420 -0.070 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CN(c2ccccc2)C3)CC12COC2 ZINC001161511129 831968019 /nfs/dbraw/zinc/96/80/19/831968019.db2.gz WUQTXYROCQWVDH-OGWOLHLISA-N 2 0 342.443 -0.102 20 0 EBADRP CNC(=O)[C@@H](C)[NH+]1CCC(CNC(=O)CC[NH+](C)C)(COC)CC1 ZINC001162459331 832047521 /nfs/dbraw/zinc/04/75/21/832047521.db2.gz NNFIVPWYAQICLT-CQSZACIVSA-N 2 0 342.484 -0.083 20 0 EBADRP COC(=O)[C@H](C[NH3+])Cc1ccc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)cc1 ZINC001163255164 832094482 /nfs/dbraw/zinc/09/44/82/832094482.db2.gz XAFBDITYCVUPEX-JDFRZJQESA-N 2 0 332.404 -0.033 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCCCNC(=O)C[NH+]2CCCC2)CC1 ZINC001350070156 832112601 /nfs/dbraw/zinc/11/26/01/832112601.db2.gz ZNFIPXZXGCUMNE-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC001350353476 832158964 /nfs/dbraw/zinc/15/89/64/832158964.db2.gz HSPRDTXBNYOSHR-KKUMJFAQSA-N 2 0 339.484 -0.805 20 0 EBADRP CN(c1ccc(OCC[NH+]2CCCC2)nn1)S(=O)(=O)CC[NH3+] ZINC001164286814 832180761 /nfs/dbraw/zinc/18/07/61/832180761.db2.gz APCFVVIAOHWNLZ-UHFFFAOYSA-N 2 0 329.426 -0.324 20 0 EBADRP CN(C(=O)COCC[NH+](C)C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001350688473 832185438 /nfs/dbraw/zinc/18/54/38/832185438.db2.gz KALNQMYKUNUMHE-OAHLLOKOSA-N 2 0 340.468 -0.280 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC)C1 ZINC001164450116 832188543 /nfs/dbraw/zinc/18/85/43/832188543.db2.gz XYQZNACDEFKPRZ-ZDUSSCGKSA-N 2 0 341.456 -0.340 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001164449225 832188638 /nfs/dbraw/zinc/18/86/38/832188638.db2.gz FDOUDJZJVUZOIM-GFCCVEGCSA-N 2 0 327.429 -0.601 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001164535768 832194768 /nfs/dbraw/zinc/19/47/68/832194768.db2.gz DYIDEDJLEQJPCB-HNNXBMFYSA-N 2 0 340.468 -0.188 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001164538883 832195984 /nfs/dbraw/zinc/19/59/84/832195984.db2.gz OJVUXBMPGMNLKA-HNNXBMFYSA-N 2 0 340.468 -0.282 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001164577907 832199311 /nfs/dbraw/zinc/19/93/11/832199311.db2.gz WSQHETAWWKRKPG-XQQFMLRXSA-N 2 0 341.456 -0.343 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)c1occc1C[NH+](C)C)C(=O)NC(N)=O ZINC001165246882 832208370 /nfs/dbraw/zinc/20/83/70/832208370.db2.gz VLIUAHSPSONDDB-JTQLQIEISA-N 2 0 339.396 -0.366 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165254302 832208671 /nfs/dbraw/zinc/20/86/71/832208671.db2.gz OVMPUDKUKBJUKN-UHFFFAOYSA-N 2 0 341.456 -0.340 20 0 EBADRP O=C(c1cccnc1N1CC[C@@H]2[NH2+]CCO[C@H]2C1)N1CC[NH2+]CC1 ZINC001165271011 832209279 /nfs/dbraw/zinc/20/92/79/832209279.db2.gz MOZXJHSTTHBTPY-GJZGRUSLSA-N 2 0 331.420 -0.306 20 0 EBADRP c1nc2n(n1)C1(CC[NH2+]CC1)CN(c1ncnc3c1CC[NH2+]CC3)C2 ZINC001165309826 832214747 /nfs/dbraw/zinc/21/47/47/832214747.db2.gz CXKWSVGGMANCLI-UHFFFAOYSA-N 2 0 340.435 -0.145 20 0 EBADRP C[NH+](C)CCCC(=O)NCCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001165359534 832217915 /nfs/dbraw/zinc/21/79/15/832217915.db2.gz DHALEMDVDAERRH-AWEZNQCLSA-N 2 0 348.513 -0.294 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165777407 832237402 /nfs/dbraw/zinc/23/74/02/832237402.db2.gz RIQCMKYWQAIODI-UHFFFAOYSA-N 2 0 348.513 -0.247 20 0 EBADRP C[NH+](C)CCC(=O)NCCC[NH2+]Cc1nnnn1C1CCOCC1 ZINC001165781212 832237437 /nfs/dbraw/zinc/23/74/37/832237437.db2.gz LAPBFDVOPLCJAY-UHFFFAOYSA-N 2 0 339.444 -0.428 20 0 EBADRP Cn1ccc(N2CC[C@@H]([NH2+]CCCNC(=O)CC[NH+](C)C)C2=O)n1 ZINC001165781218 832237499 /nfs/dbraw/zinc/23/74/99/832237499.db2.gz LGVDGJLMEWWJJF-CYBMUJFWSA-N 2 0 336.440 -0.427 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165776914 832237619 /nfs/dbraw/zinc/23/76/19/832237619.db2.gz OGNZVEIPGFZNDQ-UHFFFAOYSA-N 2 0 334.486 -0.637 20 0 EBADRP C[NH+]1CCC(C(=O)NCCC[NH2+]CCN2CCCS2(=O)=O)CC1 ZINC001165776021 832237699 /nfs/dbraw/zinc/23/76/99/832237699.db2.gz DIWGMWNCOOOVCE-UHFFFAOYSA-N 2 0 346.497 -0.540 20 0 EBADRP CC(C)[C@H](C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O)[NH+](C)C ZINC001166010950 832245831 /nfs/dbraw/zinc/24/58/31/832245831.db2.gz XFFHFRYPYVISFQ-CYBMUJFWSA-N 2 0 336.502 -0.440 20 0 EBADRP CC[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)[NH+](CC)CC ZINC001166448444 832261742 /nfs/dbraw/zinc/26/17/42/832261742.db2.gz TUILVGSSQYPWEZ-NEPJUHHUSA-N 2 0 329.445 -0.214 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001166627462 832274821 /nfs/dbraw/zinc/27/48/21/832274821.db2.gz WBSMPVLMGPLFHS-LBPRGKRZSA-N 2 0 325.413 -0.882 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166634132 832275792 /nfs/dbraw/zinc/27/57/92/832275792.db2.gz OUULUTBTVJUKNE-GFCCVEGCSA-N 2 0 327.429 -0.588 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001166668305 832278053 /nfs/dbraw/zinc/27/80/53/832278053.db2.gz YLUFKEUOVUNLEH-GFCCVEGCSA-N 2 0 339.440 -0.588 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001166667901 832278073 /nfs/dbraw/zinc/27/80/73/832278073.db2.gz KWFHQLOHCLDLEH-GJZGRUSLSA-N 2 0 340.468 -0.281 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001166706809 832281899 /nfs/dbraw/zinc/28/18/99/832281899.db2.gz AHWVNFIWVXAQPP-VXGBXAGGSA-N 2 0 327.429 -0.874 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001166714508 832282226 /nfs/dbraw/zinc/28/22/26/832282226.db2.gz LHJFFRUTYOQHEZ-UONOGXRCSA-N 2 0 346.497 -0.685 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001166714510 832282927 /nfs/dbraw/zinc/28/29/27/832282927.db2.gz LHJFFRUTYOQHEZ-ZIAGYGMSSA-N 2 0 346.497 -0.685 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001166708620 832283072 /nfs/dbraw/zinc/28/30/72/832283072.db2.gz UWWYBFSTENTSIU-ZIAGYGMSSA-N 2 0 328.457 -0.567 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC2(C[NH2+][C@H](C)C(N)=O)CC2)C1 ZINC001166814958 832290547 /nfs/dbraw/zinc/29/05/47/832290547.db2.gz VXNXVVKDPMNUSR-ZIAGYGMSSA-N 2 0 340.468 -0.155 20 0 EBADRP C[C@H]([NH2+]CC1(CCNC(=O)CCC[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001166883518 832295441 /nfs/dbraw/zinc/29/54/41/832295441.db2.gz VWALATUDCAWPOD-LBPRGKRZSA-N 2 0 341.456 -0.212 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(c3ncc4c(n3)CC[NH2+]C4)C[C@H]1C2 ZINC001167229093 832319328 /nfs/dbraw/zinc/31/93/28/832319328.db2.gz PXMYPYZWVRYAKB-KEIZMWOVSA-N 2 0 343.431 -0.043 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC1(C[NH2+]Cc2nnnn2C)CC1 ZINC001167235986 832319612 /nfs/dbraw/zinc/31/96/12/832319612.db2.gz FNRWYWDSRLYEJN-CHWSQXEVSA-N 2 0 335.456 -0.216 20 0 EBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001352487005 832332383 /nfs/dbraw/zinc/33/23/83/832332383.db2.gz SARGVZIIOURDEI-YLFCFFPRSA-N 3 0 337.512 -0.428 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167668443 832362338 /nfs/dbraw/zinc/36/23/38/832362338.db2.gz UMDKZKAPIVCPDX-UHFFFAOYSA-N 2 0 348.513 -0.247 20 0 EBADRP CC[C@@H](C(=O)N[C@H]1CCN(C(=O)COCC[NH+](C)C)C1)[NH+](C)C ZINC001352957178 832387214 /nfs/dbraw/zinc/38/72/14/832387214.db2.gz KCHKEKBRWGBSSG-KBPBESRZSA-N 2 0 328.457 -0.378 20 0 EBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001168043659 832389281 /nfs/dbraw/zinc/38/92/81/832389281.db2.gz LFJDMSMGQOHAPA-UHFFFAOYSA-N 2 0 338.456 -0.321 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NCCC[NH2+]CCS(C)(=O)=O)cn1 ZINC001168043262 832389661 /nfs/dbraw/zinc/38/96/61/832389661.db2.gz HFCJZHRWHNTQGP-UHFFFAOYSA-N 2 0 345.469 -0.801 20 0 EBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC001353170300 832412231 /nfs/dbraw/zinc/41/22/31/832412231.db2.gz FTXARUDHTOFNDQ-UKRRQHHQSA-N 2 0 339.484 -0.676 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC001353252371 832418181 /nfs/dbraw/zinc/41/81/81/832418181.db2.gz NWFQGAKRGQVHLW-AWEZNQCLSA-N 2 0 340.468 -0.057 20 0 EBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001353279414 832419006 /nfs/dbraw/zinc/41/90/06/832419006.db2.gz XBFQDUQJUPWIIA-IGQOVBAYSA-N 2 0 340.468 -0.062 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001353284965 832419935 /nfs/dbraw/zinc/41/99/35/832419935.db2.gz ITJSJGPWVXGFNA-DZGCQCFKSA-N 2 0 339.484 -0.485 20 0 EBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001353324617 832422271 /nfs/dbraw/zinc/42/22/71/832422271.db2.gz SQVWZIGZAQLJKM-IHRRRGAJSA-N 2 0 338.452 -0.448 20 0 EBADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)CNCC[NH3+])CC1 ZINC001353581026 832433983 /nfs/dbraw/zinc/43/39/83/832433983.db2.gz GJMYYVKCERYUIY-UHFFFAOYSA-N 2 0 333.480 -0.011 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001168762373 832434012 /nfs/dbraw/zinc/43/40/12/832434012.db2.gz ACDJCMMYESPMLR-UHFFFAOYSA-N 2 0 336.502 -0.294 20 0 EBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC001353585232 832434886 /nfs/dbraw/zinc/43/48/86/832434886.db2.gz ZOLHNLVWBWBHMT-ZWKOTPCHSA-N 2 0 345.491 -0.005 20 0 EBADRP CC1CC[NH+](CC(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001169127252 832449943 /nfs/dbraw/zinc/44/99/43/832449943.db2.gz JLUOXOXPIFGXLE-UHFFFAOYSA-N 2 0 339.440 -0.634 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001169127266 832449980 /nfs/dbraw/zinc/44/99/80/832449980.db2.gz JXUSCFFHAKXZLX-UHFFFAOYSA-N 2 0 341.456 -0.340 20 0 EBADRP CC(=O)N1CC[C@@H]([NH2+]CCCOCCOCCOCCC[NH3+])C1 ZINC001169503498 832466034 /nfs/dbraw/zinc/46/60/34/832466034.db2.gz GNAXVVQQCFVKFJ-MRXNPFEDSA-N 2 0 331.457 -0.015 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001170211037 832492188 /nfs/dbraw/zinc/49/21/88/832492188.db2.gz HAQIKNKFRUGJAI-AWEZNQCLSA-N 2 0 328.457 -0.593 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001170222014 832493259 /nfs/dbraw/zinc/49/32/59/832493259.db2.gz ICSJUKQINXTPCP-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP CN(CC[NH3+])CCNc1ccc(C(=O)NC2CC[NH+](C)CC2)nn1 ZINC001170498254 832510544 /nfs/dbraw/zinc/51/05/44/832510544.db2.gz IFFVDYMQKATOMT-UHFFFAOYSA-N 2 0 335.456 -0.397 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001170757695 832523295 /nfs/dbraw/zinc/52/32/95/832523295.db2.gz YOOGDIKKXSPBMS-UHFFFAOYSA-N 2 0 339.440 -0.601 20 0 EBADRP CN1CCN(S(=O)(=O)c2ccc(N[C@@H]([NH3+])CCC[NH3+])nc2)CC1 ZINC001170899213 832530669 /nfs/dbraw/zinc/53/06/69/832530669.db2.gz YKXCLLFIGSDCRG-CYBMUJFWSA-N 2 0 342.469 -0.547 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)n1 ZINC001354937513 832537465 /nfs/dbraw/zinc/53/74/65/832537465.db2.gz KVLHNERVSBLIDF-BFHYXJOUSA-N 2 0 348.451 -0.160 20 0 EBADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001171175061 832549917 /nfs/dbraw/zinc/54/99/17/832549917.db2.gz PNVNXDHFUZGAET-KBPBESRZSA-N 2 0 348.513 -0.248 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001171205640 832550372 /nfs/dbraw/zinc/55/03/72/832550372.db2.gz VIKSFPDHJXISLE-CQSZACIVSA-N 2 0 349.497 -0.515 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CC(=O)NCc1ccco1 ZINC001171204653 832550398 /nfs/dbraw/zinc/55/03/98/832550398.db2.gz DUWREHAYUOVFOX-UHFFFAOYSA-N 2 0 340.424 -0.430 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]Cc1nnnn1C(C)(C)C ZINC001171204632 832550470 /nfs/dbraw/zinc/55/04/70/832550470.db2.gz DKXUEOQBPQWSMU-UHFFFAOYSA-N 2 0 341.460 -0.398 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CC(=O)Nc1nncs1 ZINC001171205785 832550730 /nfs/dbraw/zinc/55/07/30/832550730.db2.gz XJXCNUUUJGVLSM-UHFFFAOYSA-N 2 0 344.441 -0.849 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171217924 832552488 /nfs/dbraw/zinc/55/24/88/832552488.db2.gz PLURQFOEPAVJQW-STQMWFEESA-N 2 0 341.456 -0.342 20 0 EBADRP CCN(C(=O)C[NH2+]CCCNC(=O)COCC[NH+](C)C)C1CC1 ZINC001171217830 832552574 /nfs/dbraw/zinc/55/25/74/832552574.db2.gz OJHIUVDCIYCHAJ-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171226679 832552619 /nfs/dbraw/zinc/55/26/19/832552619.db2.gz JEVPFWZAWTXUFQ-HUUCEWRRSA-N 2 0 331.457 -0.552 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171226213 832552712 /nfs/dbraw/zinc/55/27/12/832552712.db2.gz DCOXNJDEUNDSAI-ZDUSSCGKSA-N 2 0 334.486 -0.637 20 0 EBADRP C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171246526 832553546 /nfs/dbraw/zinc/55/35/46/832553546.db2.gz FNXAEXOPYAYOFQ-RISCZKNCSA-N 2 0 341.456 -0.214 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2)Nc1cnccn1 ZINC001171303347 832555538 /nfs/dbraw/zinc/55/55/38/832555538.db2.gz GWCOBZJSHLTATE-UHFFFAOYSA-N 2 0 332.408 -0.393 20 0 EBADRP C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171539166 832562778 /nfs/dbraw/zinc/56/27/78/832562778.db2.gz RMXMFTHUHKWZNJ-OLZOCXBDSA-N 2 0 341.456 -0.070 20 0 EBADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCN2CC[NH+](C)CC2)C[C@@H]1C(=O)OC ZINC001173563227 832584930 /nfs/dbraw/zinc/58/49/30/832584930.db2.gz XKTYFABWDDFIIP-BTTYYORXSA-N 2 0 327.425 -0.436 20 0 EBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCN2CC[NH+](C)CC2)C[C@@H]1C(=O)OC ZINC001173563228 832585163 /nfs/dbraw/zinc/58/51/63/832585163.db2.gz XKTYFABWDDFIIP-ZSOGYDGISA-N 2 0 327.425 -0.436 20 0 EBADRP COC(=O)[C@@H]1C[C@H]([N@H+](C)CCN2CC[NH+](C)CC2)C[C@@H]1C(=O)OC ZINC001173583805 832586594 /nfs/dbraw/zinc/58/65/94/832586594.db2.gz UODUURZMAQOQRB-QDMKHBRRSA-N 2 0 341.452 -0.094 20 0 EBADRP C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175257123 832620180 /nfs/dbraw/zinc/62/01/80/832620180.db2.gz VANSHZWSAXEZIX-QWHCGFSZSA-N 2 0 341.456 -0.070 20 0 EBADRP CN(C(=O)C(=O)NC1CC[NH+](C2CC2)CC1)C1(C[NH3+])CCOCC1 ZINC001356441899 832629820 /nfs/dbraw/zinc/62/98/20/832629820.db2.gz XGCYDTMNUOYRRM-UHFFFAOYSA-N 2 0 338.452 -0.304 20 0 EBADRP Cn1ncc2c1nc(C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1)[nH]c2=O ZINC001176048827 832653436 /nfs/dbraw/zinc/65/34/36/832653436.db2.gz BSJHINRGBFCPRG-LLVKDONJSA-N 2 0 347.423 -0.384 20 0 EBADRP Cn1ncc2c1nc(C[NH2+]CCCNC(=O)C[NH+]1CCCC1)[nH]c2=O ZINC001176103439 832657571 /nfs/dbraw/zinc/65/75/71/832657571.db2.gz YNJHPPXXOCPNTQ-UHFFFAOYSA-N 2 0 347.423 -0.239 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)C[NH+]1CCCC1)C(=O)NC(=O)NC1CC1 ZINC001176117557 832658063 /nfs/dbraw/zinc/65/80/63/832658063.db2.gz BQFKZFDODYXFOF-GFCCVEGCSA-N 2 0 339.440 -0.445 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176119271 832658973 /nfs/dbraw/zinc/65/89/73/832658973.db2.gz YTHAMGXYIMZLDA-CYBMUJFWSA-N 2 0 341.456 -0.199 20 0 EBADRP COCCOCC[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176153398 832659330 /nfs/dbraw/zinc/65/93/30/832659330.db2.gz SUVUWUHGTOCKQG-OAHLLOKOSA-N 2 0 331.457 -0.286 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CC(=O)N1CCCC1 ZINC001176161440 832660487 /nfs/dbraw/zinc/66/04/87/832660487.db2.gz PYBQWWFSPRLUGK-HNNXBMFYSA-N 2 0 340.468 -0.327 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001176857449 832696474 /nfs/dbraw/zinc/69/64/74/832696474.db2.gz WTMJABLCDRABNA-KBPBESRZSA-N 2 0 325.457 -0.020 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]C[C@@H](O)COCCOC ZINC001176992282 832727533 /nfs/dbraw/zinc/72/75/33/832727533.db2.gz LEEKDEVWOASNJD-CVEARBPZSA-N 2 0 345.484 -0.019 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)CCCC[NH+]1CCCC1)C(=O)NC(N)=O ZINC001177336746 832775103 /nfs/dbraw/zinc/77/51/03/832775103.db2.gz VUSVRZQEQBQDRN-CYBMUJFWSA-N 2 0 341.456 -0.068 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178357248 832853538 /nfs/dbraw/zinc/85/35/38/832853538.db2.gz YKIKEKBSHWICIR-AVGNSLFASA-N 2 0 339.440 -0.495 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCN(C)S(C)(=O)=O)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001178356125 832853675 /nfs/dbraw/zinc/85/36/75/832853675.db2.gz IKSUHCCBTDKEEH-IHRRRGAJSA-N 2 0 346.497 -0.449 20 0 EBADRP NC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001179080801 832951123 /nfs/dbraw/zinc/95/11/23/832951123.db2.gz KINBSNPOIOHHOV-XOYHFGRZSA-N 2 0 338.452 -0.399 20 0 EBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C)C(=O)NC(N)=O ZINC001179439821 832979268 /nfs/dbraw/zinc/97/92/68/832979268.db2.gz ZIWSZDAWIKGCIX-SRVKXCTJSA-N 2 0 327.429 -0.509 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179471801 832981957 /nfs/dbraw/zinc/98/19/57/832981957.db2.gz BOKDEGJGSUBDRJ-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)CCN1C(=O)CC[NH+](C)C ZINC001179481968 832982024 /nfs/dbraw/zinc/98/20/24/832982024.db2.gz NEJYAUOOKGSDMV-KKUMJFAQSA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001187107021 833900713 /nfs/dbraw/zinc/90/07/13/833900713.db2.gz SJMASRGGOOPBRJ-CYBMUJFWSA-N 2 0 335.470 -0.810 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001187107246 833901751 /nfs/dbraw/zinc/90/17/51/833901751.db2.gz YLMAMPFVFZNZEZ-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115964 833902868 /nfs/dbraw/zinc/90/28/68/833902868.db2.gz WVKYFXSEBBVXKA-CQSZACIVSA-N 2 0 328.457 -0.378 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001187121833 833904108 /nfs/dbraw/zinc/90/41/08/833904108.db2.gz NLIWLWRZHFVDPA-KGLIPLIRSA-N 2 0 336.440 -0.466 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001187231817 833911847 /nfs/dbraw/zinc/91/18/47/833911847.db2.gz RNRIHRYAALHCMQ-CYBMUJFWSA-N 2 0 334.486 -0.542 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NCC)C1 ZINC001187298703 833916966 /nfs/dbraw/zinc/91/69/66/833916966.db2.gz LJRVGVXZJLEHJV-CYBMUJFWSA-N 2 0 341.456 -0.246 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]C[C@H](O)CN3CCCC3=O)C2)C1 ZINC001187825328 833971382 /nfs/dbraw/zinc/97/13/82/833971382.db2.gz KRYUPWDAFAZOKO-KFWWJZLASA-N 2 0 338.452 -0.888 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2cnccn2)C1 ZINC001188145719 834013140 /nfs/dbraw/zinc/01/31/40/834013140.db2.gz LDLFGVFBDVXRIC-CYBMUJFWSA-N 2 0 334.424 -0.054 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001188145934 834014464 /nfs/dbraw/zinc/01/44/64/834014464.db2.gz RMGGWVCCFMZMBQ-OAHLLOKOSA-N 2 0 340.468 -0.188 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001189667704 834177630 /nfs/dbraw/zinc/17/76/30/834177630.db2.gz IIYNSEYRJNGDMO-LSDHHAIUSA-N 2 0 337.468 -0.114 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189906803 834207877 /nfs/dbraw/zinc/20/78/77/834207877.db2.gz PCLIWSVACACVLM-BFHYXJOUSA-N 2 0 336.436 -0.334 20 0 EBADRP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001213327484 837746358 /nfs/dbraw/zinc/74/63/58/837746358.db2.gz KFQOYNZJHHNRLA-CAOSSQGBSA-N 2 0 343.468 -0.459 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213340011 837751222 /nfs/dbraw/zinc/75/12/22/837751222.db2.gz LBDAAMCTQHQZCA-MGPQQGTHSA-N 2 0 329.441 -0.849 20 0 EBADRP CO[C@@H]1C[N@H+](C[C@@H]2CCc3ncnn32)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378450 837761028 /nfs/dbraw/zinc/76/10/28/837761028.db2.gz RFEUWGQVAQNLBE-BFHYXJOUSA-N 2 0 336.440 -0.468 20 0 EBADRP COCCOC[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192045290 834598158 /nfs/dbraw/zinc/59/81/58/834598158.db2.gz BRCSGUCNRHAADD-HZPDHXFCSA-N 2 0 345.484 -0.115 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192045663 834599113 /nfs/dbraw/zinc/59/91/13/834599113.db2.gz HZRKNDNQDGGSJB-OLZOCXBDSA-N 2 0 341.456 -0.295 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)CCCN2C(=O)CNC2=O)C1 ZINC001192170388 834621526 /nfs/dbraw/zinc/62/15/26/834621526.db2.gz KTUFTWNVSIZNQJ-CYBMUJFWSA-N 2 0 339.440 -0.587 20 0 EBADRP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001193024431 834782108 /nfs/dbraw/zinc/78/21/08/834782108.db2.gz WQYGFBLSSQOLPG-BZUAXINKSA-N 2 0 325.453 -0.084 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@@H](C)C(=O)NC(N)=O)C1 ZINC001193278905 834825104 /nfs/dbraw/zinc/82/51/04/834825104.db2.gz KURYCOXDKPPAKH-RYUDHWBXSA-N 2 0 327.429 -0.556 20 0 EBADRP C[C@H](C(=O)N(C)C)[N@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488173 834888042 /nfs/dbraw/zinc/88/80/42/834888042.db2.gz LQQMJGQTGXDXRJ-KGLIPLIRSA-N 2 0 328.457 -0.426 20 0 EBADRP CC(C)CNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708956 835275712 /nfs/dbraw/zinc/27/57/12/835275712.db2.gz UJCQBQOKLZCCJT-RRFJBIMHSA-N 2 0 342.484 -0.350 20 0 EBADRP C[C@@H](C(=O)NC1CC1)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708571 835276009 /nfs/dbraw/zinc/27/60/09/835276009.db2.gz PFFVXTAYYJUUAA-IACUBPJLSA-N 2 0 326.441 -0.843 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196208052 835370363 /nfs/dbraw/zinc/37/03/63/835370363.db2.gz XQGSSMVCEDTTNR-MGPQQGTHSA-N 2 0 331.457 -0.867 20 0 EBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001197319681 835537293 /nfs/dbraw/zinc/53/72/93/835537293.db2.gz OKJYYBLDBFNDET-FVQBIDKESA-N 2 0 341.452 -0.705 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1O ZINC001197826174 835614188 /nfs/dbraw/zinc/61/41/88/835614188.db2.gz PCUUSGRLLRXYHR-HUUCEWRRSA-N 2 0 329.441 -0.705 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@H]1O ZINC001197826204 835614200 /nfs/dbraw/zinc/61/42/00/835614200.db2.gz QMZQXOABFYLKCC-ARFHVFGLSA-N 2 0 343.468 -0.315 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1O ZINC001198028911 835632605 /nfs/dbraw/zinc/63/26/05/835632605.db2.gz MDULOWLFWRSYEH-HZPDHXFCSA-N 2 0 337.468 -0.144 20 0 EBADRP CC(=O)NCCOCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001198097907 835641921 /nfs/dbraw/zinc/64/19/21/835641921.db2.gz LJJREJUSGUZNFU-MRXNPFEDSA-N 2 0 340.468 -0.375 20 0 EBADRP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198699418 835711068 /nfs/dbraw/zinc/71/10/68/835711068.db2.gz QNKLTOGVWVXSEA-ARFHVFGLSA-N 2 0 343.468 -0.457 20 0 EBADRP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C(=O)NC(N)=O ZINC001199827008 835866709 /nfs/dbraw/zinc/86/67/09/835866709.db2.gz QTIPLMWWSILBJP-CMPLNLGQSA-N 2 0 325.413 -0.755 20 0 EBADRP COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001200605757 835994568 /nfs/dbraw/zinc/99/45/68/835994568.db2.gz BEIQLORTECFAGC-HOTGVXAUSA-N 2 0 325.453 -0.084 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC([NH2+]CCOCCO)CC1 ZINC001200606561 835996175 /nfs/dbraw/zinc/99/61/75/835996175.db2.gz QFJNCHRFXVFTGL-INIZCTEOSA-N 2 0 325.453 -0.082 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC)C1 ZINC001200628034 835998108 /nfs/dbraw/zinc/99/81/08/835998108.db2.gz QUNVNEAABXSONV-KGLIPLIRSA-N 2 0 346.447 -0.381 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CCCO1 ZINC001200687916 836015990 /nfs/dbraw/zinc/01/59/90/836015990.db2.gz IBYKOTOBBKOGBN-GOEBONIOSA-N 2 0 340.468 -0.378 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1 ZINC001200703285 836020634 /nfs/dbraw/zinc/02/06/34/836020634.db2.gz AXRUDAPRKVVJLU-ZFWWWQNUSA-N 2 0 340.468 -0.188 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001200737298 836028434 /nfs/dbraw/zinc/02/84/34/836028434.db2.gz LQGVHUIHDXSQJU-HOCLYGCPSA-N 2 0 342.484 -0.132 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200806536 836037467 /nfs/dbraw/zinc/03/74/67/836037467.db2.gz RPBPPKSQXPROPR-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200803781 836037922 /nfs/dbraw/zinc/03/79/22/836037922.db2.gz BKBURUMEFILIKA-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N1CCC([NH2+]Cc2nnnn2C)CC1 ZINC001200850218 836046694 /nfs/dbraw/zinc/04/66/94/836046694.db2.gz HHXQQGGDBFAVDY-ZDUSSCGKSA-N 2 0 341.435 -0.029 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCCO1 ZINC001200887689 836060071 /nfs/dbraw/zinc/06/00/71/836060071.db2.gz OTHIDSORCYGNTP-CQSZACIVSA-N 2 0 338.452 -0.432 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CCCO1 ZINC001200975713 836075547 /nfs/dbraw/zinc/07/55/47/836075547.db2.gz JDOUINLEALAORF-HNNXBMFYSA-N 2 0 345.403 -0.099 20 0 EBADRP CC(C)(C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001201130056 836100463 /nfs/dbraw/zinc/10/04/63/836100463.db2.gz UYEUIDRAGVTCLL-ZDUSSCGKSA-N 2 0 326.441 -0.447 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCO1 ZINC001201246413 836117930 /nfs/dbraw/zinc/11/79/30/836117930.db2.gz SUXUZQNWOPVOGO-KKUMJFAQSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@H]([NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1)C(N)=O ZINC001201262043 836119974 /nfs/dbraw/zinc/11/99/74/836119974.db2.gz ROUVZJMNNUWCKV-STQMWFEESA-N 2 0 326.441 -0.591 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201276159 836122132 /nfs/dbraw/zinc/12/21/32/836122132.db2.gz GIMBEFVAOHXHAX-CABCVRRESA-N 2 0 331.457 -0.457 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1 ZINC001201309364 836127075 /nfs/dbraw/zinc/12/70/75/836127075.db2.gz PHUJTYMBYJAVMD-CVEARBPZSA-N 2 0 343.468 -0.457 20 0 EBADRP C[NH+](C)CCC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)N2CCCC2)C1 ZINC001201318596 836128613 /nfs/dbraw/zinc/12/86/13/836128613.db2.gz PYFFXIKTOPHILQ-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[NH+](C)CCC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NCC2CC2)C1 ZINC001201333633 836129833 /nfs/dbraw/zinc/12/98/33/836129833.db2.gz BAFOEMJAIVJAKB-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)CC[NH+](C)C)CCCO2)C1=O ZINC001201334989 836130568 /nfs/dbraw/zinc/13/05/68/836130568.db2.gz MDCAWQCTCSSTQE-KBPBESRZSA-N 2 0 326.441 -0.624 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201335701 836130803 /nfs/dbraw/zinc/13/08/03/836130803.db2.gz QARPGLSETNSPGS-AWEZNQCLSA-N 2 0 328.457 -0.330 20 0 EBADRP CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CC[NH+](C)C)CCCO2)C1=O ZINC001201335403 836130836 /nfs/dbraw/zinc/13/08/36/836130836.db2.gz OBYYTLAQQDFNOB-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCO[C@@H](C[NH2+]CCOCCO)C1 ZINC001201403642 836141097 /nfs/dbraw/zinc/14/10/97/836141097.db2.gz NXUBNSGRLCEFHU-CVEARBPZSA-N 2 0 343.468 -0.313 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CCCO1 ZINC001201404498 836141269 /nfs/dbraw/zinc/14/12/69/836141269.db2.gz WBIUITZBOFKTSB-KBPBESRZSA-N 2 0 326.441 -0.719 20 0 EBADRP CC[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)N(C)C)C1)[NH+](C)C ZINC001201410291 836142132 /nfs/dbraw/zinc/14/21/32/836142132.db2.gz FVKZIWNLSXYCDH-KBPBESRZSA-N 2 0 328.457 -0.378 20 0 EBADRP C[C@@H](C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1)[NH+]1CCCCCC1 ZINC001201557043 836159438 /nfs/dbraw/zinc/15/94/38/836159438.db2.gz CCJJZNSLKYECHD-LSDHHAIUSA-N 2 0 340.468 -0.057 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001201560159 836160945 /nfs/dbraw/zinc/16/09/45/836160945.db2.gz YTXVMQMAMKFIFG-HUUCEWRRSA-N 2 0 340.468 -0.058 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CCCO[C@@H](C[NH2+]CCCO)C2)CC1 ZINC001201725434 836183566 /nfs/dbraw/zinc/18/35/66/836183566.db2.gz BYZFQQBPZSTDFZ-INIZCTEOSA-N 2 0 343.468 -0.313 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCCO[C@H](C[NH2+][C@H](C)C(=O)NC)C1 ZINC001201808204 836194801 /nfs/dbraw/zinc/19/48/01/836194801.db2.gz BLVQHYGPVFMITQ-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001201863377 836207224 /nfs/dbraw/zinc/20/72/24/836207224.db2.gz LXANWUGSDHTEDS-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H](O)CCC[NH2+]C[C@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201863286 836207623 /nfs/dbraw/zinc/20/76/23/836207623.db2.gz KQCCSRWLCJFKAF-CVEARBPZSA-N 2 0 345.484 -0.067 20 0 EBADRP COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201871333 836208638 /nfs/dbraw/zinc/20/86/38/836208638.db2.gz JAKJSWYVCGQTHQ-GJZGRUSLSA-N 2 0 341.452 -0.703 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001201924600 836216029 /nfs/dbraw/zinc/21/60/29/836216029.db2.gz PUUDVNQEAYNECD-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCCO[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001201924444 836217392 /nfs/dbraw/zinc/21/73/92/836217392.db2.gz LTKXMVKLIDCUSB-UONOGXRCSA-N 2 0 328.457 -0.201 20 0 EBADRP COCCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202057654 836242983 /nfs/dbraw/zinc/24/29/83/836242983.db2.gz GDOCLLCYPISQMR-JKSUJKDBSA-N 2 0 343.468 -0.192 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCCO[C@@H](C[NH2+]CCOCCO)C1 ZINC001202058299 836245457 /nfs/dbraw/zinc/24/54/57/836245457.db2.gz JUXWRXLJHGNEBV-HNNXBMFYSA-N 2 0 329.441 -0.702 20 0 EBADRP NC(=O)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCCO1 ZINC001202086228 836251974 /nfs/dbraw/zinc/25/19/74/836251974.db2.gz BXXMMRHIPBHIKO-HNNXBMFYSA-N 2 0 340.468 -0.055 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CCCO1 ZINC001202134035 836259711 /nfs/dbraw/zinc/25/97/11/836259711.db2.gz KQARPGGSRBRZJS-OAHLLOKOSA-N 2 0 340.468 -0.185 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001202163619 836265648 /nfs/dbraw/zinc/26/56/48/836265648.db2.gz HQOPYOJPIROXKO-HUUCEWRRSA-N 2 0 340.468 -0.236 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCC([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001202238387 836283186 /nfs/dbraw/zinc/28/31/86/836283186.db2.gz DNTNGEYSYKONIU-UHFFFAOYSA-N 2 0 339.440 -0.539 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001202239314 836284328 /nfs/dbraw/zinc/28/43/28/836284328.db2.gz WDOOZNDEYGSUQI-UHFFFAOYSA-N 2 0 348.513 -0.152 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)CC1 ZINC001202296512 836290040 /nfs/dbraw/zinc/29/00/40/836290040.db2.gz JAKDVPPMUMFSQQ-UHFFFAOYSA-N 2 0 325.413 -0.896 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202330051 836291947 /nfs/dbraw/zinc/29/19/47/836291947.db2.gz AEXLCMIPWBHNIM-UHFFFAOYSA-N 2 0 348.513 -0.200 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001202496244 836309140 /nfs/dbraw/zinc/30/91/40/836309140.db2.gz QQAIPOGWQUCQEV-LBPRGKRZSA-N 2 0 339.440 -0.636 20 0 EBADRP CC[C@@H](C(=O)N1CCC([NH2+][C@H](C)C(=O)NC(=O)NC)CC1)[NH+](C)C ZINC001202531342 836311285 /nfs/dbraw/zinc/31/12/85/836311285.db2.gz FTPPTKBXTXSTHM-YPMHNXCESA-N 2 0 341.456 -0.249 20 0 EBADRP C[C@@H](COCC(=O)N1CCC([NH2+]CC(N)=O)CC1)[NH+]1CCCC1 ZINC001202559634 836317241 /nfs/dbraw/zinc/31/72/41/836317241.db2.gz IDOLMZPIGZAKHV-ZDUSSCGKSA-N 2 0 326.441 -0.447 20 0 EBADRP C[C@@H]([NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1)C(=O)NC1CC1 ZINC001203330666 836421096 /nfs/dbraw/zinc/42/10/96/836421096.db2.gz OMDVEZVETXKOMF-CYBMUJFWSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H]([NH2+]C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1)C(=O)NC(N)=O ZINC001203337588 836422500 /nfs/dbraw/zinc/42/25/00/836422500.db2.gz MCJBEYQBASNBKK-VXGBXAGGSA-N 2 0 339.440 -0.508 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC([NH2+]CC(=O)NC2CC2)CC1 ZINC001203349192 836423694 /nfs/dbraw/zinc/42/36/94/836423694.db2.gz IHBIQAYVZDXNPV-UHFFFAOYSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203356812 836424495 /nfs/dbraw/zinc/42/44/95/836424495.db2.gz BSYHOKMDLDKBKI-WDEREUQCSA-N 2 0 325.413 -0.850 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CCN2CCNC2=O)C12CCC2 ZINC001203358509 836425840 /nfs/dbraw/zinc/42/58/40/836425840.db2.gz JYDSBNHNPRSMKQ-UONOGXRCSA-N 2 0 337.468 -0.020 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203579368 836450183 /nfs/dbraw/zinc/45/01/83/836450183.db2.gz ZJUIMTDDMXZASB-NEPJUHHUSA-N 2 0 339.440 -0.460 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203652206 836458263 /nfs/dbraw/zinc/45/82/63/836458263.db2.gz SGAMXCYQRTVSED-NWDGAFQWSA-N 2 0 339.440 -0.460 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001203904422 836487085 /nfs/dbraw/zinc/48/70/85/836487085.db2.gz WFHAYIKLLXHSHC-CYBMUJFWSA-N 2 0 339.440 -0.364 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001204799040 836529874 /nfs/dbraw/zinc/52/98/74/836529874.db2.gz QSSQJMKJXXZOEW-ZDUSSCGKSA-N 2 0 339.440 -0.636 20 0 EBADRP CNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001205345737 836560418 /nfs/dbraw/zinc/56/04/18/836560418.db2.gz XMLPJUXDVKTPMA-GJZGRUSLSA-N 2 0 338.452 -0.576 20 0 EBADRP Cn1[nH]c(C[NH2+]CC2CCN(C(=O)CCC[NH+](C)C)CC2)nc1=O ZINC001206079499 836620679 /nfs/dbraw/zinc/62/06/79/836620679.db2.gz HJRODELGKXQWNP-UHFFFAOYSA-N 2 0 338.456 -0.222 20 0 EBADRP [NH3+]C[C@H]1CN(Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)C[C@H]1O ZINC001206467824 836650089 /nfs/dbraw/zinc/65/00/89/836650089.db2.gz AMBKVRLMXMJLPL-GOEBONIOSA-N 2 0 330.436 -0.052 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C[NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001206872535 836686261 /nfs/dbraw/zinc/68/62/61/836686261.db2.gz IXQINZONIHOVHS-ZDUSSCGKSA-N 2 0 339.440 -0.649 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC(C[NH2+]CC(=O)NC2CC2)CC1 ZINC001206873991 836687248 /nfs/dbraw/zinc/68/72/48/836687248.db2.gz ZNMGDQGIQLLBQJ-UHFFFAOYSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H]([NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1)C(=O)NC(N)=O ZINC001206928751 836715320 /nfs/dbraw/zinc/71/53/20/836715320.db2.gz HVSSVYGBCOQVGZ-GFCCVEGCSA-N 2 0 339.440 -0.506 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001207685167 836844580 /nfs/dbraw/zinc/84/45/80/836844580.db2.gz YCSKUNMBUWCWHA-HZPDHXFCSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001207685165 836845042 /nfs/dbraw/zinc/84/50/42/836845042.db2.gz YCSKUNMBUWCWHA-CVEARBPZSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1C)[NH+](C)C ZINC001207698218 836847387 /nfs/dbraw/zinc/84/73/87/836847387.db2.gz WAGGCWRGRVDJPX-FVQBIDKESA-N 2 0 342.484 -0.084 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001208063672 836938993 /nfs/dbraw/zinc/93/89/93/836938993.db2.gz RSGXHGSKYCQYRS-CHWSQXEVSA-N 2 0 337.424 -0.896 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208261221 836965766 /nfs/dbraw/zinc/96/57/66/836965766.db2.gz LFGPOKYCFLRPJS-NWDGAFQWSA-N 2 0 345.419 -0.558 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CC1 ZINC001209303737 837153937 /nfs/dbraw/zinc/15/39/37/837153937.db2.gz LONSROHAVUHUFS-CYBMUJFWSA-N 2 0 346.497 -0.542 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CCC[C@H]([NH2+]CCNS(C)(=O)=O)C2)CC1 ZINC001209303738 837154396 /nfs/dbraw/zinc/15/43/96/837154396.db2.gz LONSROHAVUHUFS-ZDUSSCGKSA-N 2 0 346.497 -0.542 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001209631261 837184269 /nfs/dbraw/zinc/18/42/69/837184269.db2.gz DYJRWSCDFGMSQG-KGLIPLIRSA-N 2 0 346.497 -0.400 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001209643704 837185640 /nfs/dbraw/zinc/18/56/40/837185640.db2.gz VOGBGKBWLYHABR-VXGBXAGGSA-N 2 0 325.413 -0.896 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001210217494 837256786 /nfs/dbraw/zinc/25/67/86/837256786.db2.gz JDHSXIVAFJVNRX-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH2+]C[C@H](O)COCCOC)C1 ZINC001210228434 837257448 /nfs/dbraw/zinc/25/74/48/837257448.db2.gz IQEUBPYTIPQSAJ-HOTGVXAUSA-N 2 0 345.484 -0.067 20 0 EBADRP COCCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210314732 837270124 /nfs/dbraw/zinc/27/01/24/837270124.db2.gz DDPFLDBUFIOADI-HUUCEWRRSA-N 2 0 331.457 -0.336 20 0 EBADRP CN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001210338768 837273217 /nfs/dbraw/zinc/27/32/17/837273217.db2.gz INJSATKXMWCAEP-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001210493529 837290612 /nfs/dbraw/zinc/29/06/12/837290612.db2.gz MHAGJMKVVDEEAP-CYBMUJFWSA-N 2 0 339.440 -0.539 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210673879 837315360 /nfs/dbraw/zinc/31/53/60/837315360.db2.gz IZJJIRGHTUFSQH-CHWSQXEVSA-N 2 0 339.440 -0.636 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001210668368 837315415 /nfs/dbraw/zinc/31/54/15/837315415.db2.gz MONNGLXQJYZPRS-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001210674155 837316850 /nfs/dbraw/zinc/31/68/50/837316850.db2.gz OCXSGOACYITEFF-RYUDHWBXSA-N 2 0 325.413 -0.896 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001210673440 837317227 /nfs/dbraw/zinc/31/72/27/837317227.db2.gz CCUJBIDIIOTOHX-ZIAGYGMSSA-N 2 0 346.497 -0.542 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001210684510 837319930 /nfs/dbraw/zinc/31/99/30/837319930.db2.gz HYIOFGYJADYMOG-CQSZACIVSA-N 2 0 349.497 -0.420 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001210685135 837320835 /nfs/dbraw/zinc/32/08/35/837320835.db2.gz ONESHGHEUNODMS-CQSZACIVSA-N 2 0 326.441 -0.576 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001210810893 837333196 /nfs/dbraw/zinc/33/31/96/837333196.db2.gz GQJPIWZLGAEDGH-NWDGAFQWSA-N 2 0 327.429 -0.508 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001210811916 837333603 /nfs/dbraw/zinc/33/36/03/837333603.db2.gz ROKUHWOVHYOFNG-AWEZNQCLSA-N 2 0 325.457 -0.066 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001210811422 837333757 /nfs/dbraw/zinc/33/37/57/837333757.db2.gz NSHFUWRRZXOKOP-CQSZACIVSA-N 2 0 348.513 -0.200 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211064751 837378640 /nfs/dbraw/zinc/37/86/40/837378640.db2.gz QLFMPIVABLNWLA-OLZOCXBDSA-N 2 0 339.440 -0.636 20 0 EBADRP COCCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211064429 837378694 /nfs/dbraw/zinc/37/86/94/837378694.db2.gz NKBJCPOTVNVRSA-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP CO[C@@H]1C[N@H+](CCC[C@H](C)O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730792 837853266 /nfs/dbraw/zinc/85/32/66/837853266.db2.gz XWMPPKXFHYPGLQ-RRFJBIMHSA-N 2 0 331.457 -0.459 20 0 EBADRP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]CCNS(C)(=O)=O ZINC001319189717 838084808 /nfs/dbraw/zinc/08/48/08/838084808.db2.gz PLYMSQVGYHUYAI-JSGCOSHPSA-N 2 0 346.497 -0.781 20 0 EBADRP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]CCN1C(=O)CCC1=O ZINC001319229286 838090469 /nfs/dbraw/zinc/09/04/69/838090469.db2.gz NFAFXGHJCLLFGN-KBPBESRZSA-N 2 0 338.452 -0.038 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001319791636 838178801 /nfs/dbraw/zinc/17/88/01/838178801.db2.gz NKPWICURKPBLNV-QWHCGFSZSA-N 2 0 339.440 -0.506 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CCOCC(F)(F)F)C1 ZINC001320313051 838755228 /nfs/dbraw/zinc/75/52/28/838755228.db2.gz KXKZDKVORVIXGN-WDEREUQCSA-N 2 0 327.347 -0.416 20 0 EBADRP C[C@@H](CC[NH2+]CCN1C(=O)CNC1=O)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001320374147 838762973 /nfs/dbraw/zinc/76/29/73/838762973.db2.gz ZNZCRDFAFVGXFE-RYUDHWBXSA-N 2 0 325.413 -0.883 20 0 EBADRP C[C@H](CC[NH2+]CCN1CCNC1=O)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001320608035 838801999 /nfs/dbraw/zinc/80/19/99/838801999.db2.gz MVZXBQGGHDRSCT-KGLIPLIRSA-N 2 0 325.457 -0.162 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC001321353775 838968965 /nfs/dbraw/zinc/96/89/65/838968965.db2.gz DIFIVUBYKRSMAE-KGLIPLIRSA-N 2 0 326.441 -0.767 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001321394429 838980828 /nfs/dbraw/zinc/98/08/28/838980828.db2.gz WODQYJOUWNBXBB-DLGQBQFBSA-N 2 0 337.424 -0.812 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001321394431 838981120 /nfs/dbraw/zinc/98/11/20/838981120.db2.gz WODQYJOUWNBXBB-QAVQXKDTSA-N 2 0 337.424 -0.812 20 0 EBADRP C[C@H](C[NH2+]CCN(C)S(C)(=O)=O)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001321710982 839059033 /nfs/dbraw/zinc/05/90/33/839059033.db2.gz WXIKLWMMZDLXAY-CHWSQXEVSA-N 2 0 334.486 -0.686 20 0 EBADRP C[C@H](C[NH2+]CCN1CCCS1(=O)=O)NC(=O)C[NH+]1CCCC1 ZINC001321746012 839067724 /nfs/dbraw/zinc/06/77/24/839067724.db2.gz DRSUHFOASFQYOR-CYBMUJFWSA-N 2 0 332.470 -0.788 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001323247203 839389451 /nfs/dbraw/zinc/38/94/51/839389451.db2.gz RGJPKPJVRYOAAU-RRFJBIMHSA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001324818489 839719089 /nfs/dbraw/zinc/71/90/89/839719089.db2.gz XAKIRWNYKPVPQP-INIZCTEOSA-N 2 0 341.456 -0.259 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)CCO1 ZINC001325347307 839852414 /nfs/dbraw/zinc/85/24/14/839852414.db2.gz YJMXRQZBYXWCAM-DGAVXFQQSA-N 2 0 326.441 -0.450 20 0 EBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001325393025 839858691 /nfs/dbraw/zinc/85/86/91/839858691.db2.gz KKIPVCKNSWUZNF-MGPQQGTHSA-N 2 0 326.441 -0.448 20 0 EBADRP C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001325455452 839869397 /nfs/dbraw/zinc/86/93/97/839869397.db2.gz LIFDTPFRSZWKOE-CHWSQXEVSA-N 2 0 341.456 -0.260 20 0 EBADRP C[C@H]1C[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC001325646092 839905199 /nfs/dbraw/zinc/90/51/99/839905199.db2.gz HZBXQHHZVOGDQO-LSDHHAIUSA-N 2 0 342.484 -0.131 20 0 EBADRP CN1CCO[C@H](C(=O)N2CCC[C@H]3C[N@H+](CCOCCO)C[C@H]32)C1 ZINC001325936063 839979129 /nfs/dbraw/zinc/97/91/29/839979129.db2.gz SAXOROVKTTXNOQ-XHSDSOJGSA-N 2 0 341.452 -0.751 20 0 EBADRP CN(C)C(=O)C[NH2+]CCN(CCO)C(=O)CC1CC[NH+](C)CC1 ZINC001326102675 840033383 /nfs/dbraw/zinc/03/33/83/840033383.db2.gz INADQBJMXKJOGJ-UHFFFAOYSA-N 2 0 328.457 -0.783 20 0 EBADRP O=C(N1CCO[C@@H](C[NH2+]CCn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001327050899 840288057 /nfs/dbraw/zinc/28/80/57/840288057.db2.gz YMODNUAAQIEFJM-HNNXBMFYSA-N 2 0 333.436 -0.204 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001327079515 840293556 /nfs/dbraw/zinc/29/35/56/840293556.db2.gz IDRRUYFPHVWAOC-AWEZNQCLSA-N 2 0 341.456 -0.831 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC001327510423 840440169 /nfs/dbraw/zinc/44/01/69/840440169.db2.gz RIWYTHGPMCDOHP-UHFFFAOYSA-N 2 0 337.468 -0.920 20 0 EBADRP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC001328489505 840688018 /nfs/dbraw/zinc/68/80/18/840688018.db2.gz AGRSBTLVXPXRII-CYBMUJFWSA-N 2 0 340.468 -0.071 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCCCC[NH+]1CCN(CC(N)=O)CC1 ZINC001328499610 840689534 /nfs/dbraw/zinc/68/95/34/840689534.db2.gz IUOSGNSSBYDEII-HNNXBMFYSA-N 2 0 339.484 -0.530 20 0 EBADRP [NH3+]C1(CNC(=O)C(=O)NCc2ccc3c[nH+]cn3c2)CCOCC1 ZINC001329060938 840829952 /nfs/dbraw/zinc/82/99/52/840829952.db2.gz MUFIOZSIDYHUNV-UHFFFAOYSA-N 2 0 331.376 -0.425 20 0 EBADRP C[C@@H]([NH2+]CCNS(C)(=O)=O)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001329148067 840857864 /nfs/dbraw/zinc/85/78/64/840857864.db2.gz PMVCMMQPMRCXGU-OLZOCXBDSA-N 2 0 348.513 -0.250 20 0 EBADRP C[C@H]([NH2+]CCCOC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C(N)=O ZINC001329773246 841014845 /nfs/dbraw/zinc/01/48/45/841014845.db2.gz ISWMJYYKJZPMIJ-DZGCQCFKSA-N 2 0 340.468 -0.058 20 0 EBADRP CO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001329830967 841033082 /nfs/dbraw/zinc/03/30/82/841033082.db2.gz QYTJLHCDEGLRGD-RBSFLKMASA-N 2 0 340.468 -0.569 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC001330593159 841242516 /nfs/dbraw/zinc/24/25/16/841242516.db2.gz YSURSCSEHIHAET-HNNXBMFYSA-N 2 0 340.468 -0.138 20 0 EBADRP CC(C)[C@H](CNC(=O)C(=O)NCCC(C)(C)[NH3+])N1CC[NH+](C)CC1 ZINC001331140403 841351107 /nfs/dbraw/zinc/35/11/07/841351107.db2.gz KVAPTVJDYNDNDG-AWEZNQCLSA-N 2 0 341.500 -0.382 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001331147365 841354397 /nfs/dbraw/zinc/35/43/97/841354397.db2.gz UOXJMXWBOXWATB-RDBSUJKOSA-N 2 0 337.468 -0.781 20 0 EBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC2)C1 ZINC001331218613 841372206 /nfs/dbraw/zinc/37/22/06/841372206.db2.gz DJOICOHFJWJVOZ-ZNMIVQPWSA-N 2 0 337.468 -0.922 20 0 EBADRP CN1CC[C@@H]([NH2+]CCCOCCNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001331240293 841377872 /nfs/dbraw/zinc/37/78/72/841377872.db2.gz JWQRZTUTTCFERP-CQSZACIVSA-N 2 0 338.452 -0.575 20 0 EBADRP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCN1C(=O)CNC1=O ZINC001331489483 841415866 /nfs/dbraw/zinc/41/58/66/841415866.db2.gz LROULOHDBNGNQA-OLZOCXBDSA-N 2 0 339.440 -0.541 20 0 EBADRP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCC2([NH3+])CCOCC2)CC[N@@H+]1C ZINC001331605159 841436985 /nfs/dbraw/zinc/43/69/85/841436985.db2.gz GKYXVSRCGYGJOE-OLZOCXBDSA-N 2 0 326.441 -0.448 20 0 EBADRP C[NH+]1CCC(CCNC(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC001331738233 841477292 /nfs/dbraw/zinc/47/72/92/841477292.db2.gz LFEIJGHXWKFOQT-UHFFFAOYSA-N 2 0 326.441 -0.541 20 0 EBADRP CC(C)[C@H](C(=O)N(C)C1CC([NH2+]CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001333140874 841804377 /nfs/dbraw/zinc/80/43/77/841804377.db2.gz KNBHHZYYDMXVMX-JXQTWKCFSA-N 2 0 348.513 -0.299 20 0 EBADRP CN(CCOCC[NH2+][C@H]1CCCNC1=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001333243895 841831534 /nfs/dbraw/zinc/83/15/34/841831534.db2.gz BTADRFJJNVTMTK-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[NH+]1CCN(CCC(=O)N2CC(N3CC[NH+](C)CC3)C2)CC1 ZINC001333280700 841842735 /nfs/dbraw/zinc/84/27/35/841842735.db2.gz CHJMIDQSIDKEKP-UHFFFAOYSA-N 2 0 337.512 -0.139 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001333403189 841867930 /nfs/dbraw/zinc/86/79/30/841867930.db2.gz BFNGQDCKJXRZMP-HIFRSBDPSA-N 2 0 340.468 -0.010 20 0 EBADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001333423613 841874188 /nfs/dbraw/zinc/87/41/88/841874188.db2.gz QCTJBZUTEZGSTM-RRFJBIMHSA-N 3 0 341.500 -0.702 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC001333460046 841887172 /nfs/dbraw/zinc/88/71/72/841887172.db2.gz DEFGTFUMARDMCI-XJKSGUPXSA-N 2 0 326.441 -0.909 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001333627087 841919507 /nfs/dbraw/zinc/91/95/07/841919507.db2.gz WLCDQFHWKVKEFA-DZGCQCFKSA-N 3 0 339.484 -0.533 20 0 EBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)C1 ZINC001334787440 842130613 /nfs/dbraw/zinc/13/06/13/842130613.db2.gz FUXBFMMHCWNZMQ-CQSZACIVSA-N 2 0 340.468 -0.247 20 0 EBADRP CCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001335203524 842224258 /nfs/dbraw/zinc/22/42/58/842224258.db2.gz BZALLAZOBFHRKE-ZIAGYGMSSA-N 2 0 326.441 -0.840 20 0 EBADRP C[NH+]1CCC(CCNC(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC001335206872 842225459 /nfs/dbraw/zinc/22/54/59/842225459.db2.gz HPTLOWNBSPVENL-UHFFFAOYSA-N 2 0 339.484 -0.626 20 0 EBADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC001335214583 842227965 /nfs/dbraw/zinc/22/79/65/842227965.db2.gz AIPMABYEGZJGNP-ZFWWWQNUSA-N 2 0 338.452 -0.447 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC001335311903 842258014 /nfs/dbraw/zinc/25/80/14/842258014.db2.gz SEYYPOOBKLBDRM-BXUZGUMPSA-N 2 0 334.424 -0.188 20 0 EBADRP C[N@@H+]1CCCN(CCC[NH2+]C[C@H](O)CC2(O)CCOCC2)CC1 ZINC001335399759 842273363 /nfs/dbraw/zinc/27/33/63/842273363.db2.gz HMDXPWSBLSTSBB-MRXNPFEDSA-N 2 0 329.485 -0.104 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCC(=O)NCc2ccccc2)CC1 ZINC001335399803 842273783 /nfs/dbraw/zinc/27/37/83/842273783.db2.gz IPGNWHAQNJNQCA-QGZVFWFLSA-N 2 0 334.464 -0.109 20 0 EBADRP [NH3+]C1CCN(CCNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001335767397 842352372 /nfs/dbraw/zinc/35/23/72/842352372.db2.gz DQYONOBEHZAJTG-LSDHHAIUSA-N 2 0 337.468 -0.731 20 0 EBADRP O=C(NCCCN1CC[NH2+]CC1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001336117189 842398960 /nfs/dbraw/zinc/39/89/60/842398960.db2.gz PYKNMKPPPGMCRH-OAHLLOKOSA-N 2 0 339.484 -0.260 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)C[NH+](C)C ZINC001336227822 842419900 /nfs/dbraw/zinc/41/99/00/842419900.db2.gz FYAPLILCJTVDOA-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001336660314 842531058 /nfs/dbraw/zinc/53/10/58/842531058.db2.gz WNDUJWIDWTWVAY-KKUMJFAQSA-N 2 0 340.468 -0.473 20 0 EBADRP C[NH+]1CCC[C@@H]1C(=O)NCCOCCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001336836673 842549858 /nfs/dbraw/zinc/54/98/58/842549858.db2.gz OAXWHHQKVZQQAH-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCCN3CCSC[C@@H]23)CC1 ZINC001336846478 842551327 /nfs/dbraw/zinc/55/13/27/842551327.db2.gz BLOPCZGLRLRBPG-PMPSAXMXSA-N 2 0 328.526 -0.236 20 0 EBADRP O=C(N[C@@H]1C[NH+]2CCC1CC2)C(F)C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC001337410842 842611171 /nfs/dbraw/zinc/61/11/71/842611171.db2.gz SZZBJWIIDUFZGU-ZIAGYGMSSA-N 2 0 338.427 -0.255 20 0 EBADRP [NH3+]CCNCC(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC001340091182 842969815 /nfs/dbraw/zinc/96/98/15/842969815.db2.gz PWHUAHOFKSBVFC-UHFFFAOYSA-N 2 0 333.436 -0.001 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)C[C@H](C)O1 ZINC001343371429 843229748 /nfs/dbraw/zinc/22/97/48/843229748.db2.gz KTSAFPGLABJAJP-QLFBSQMISA-N 2 0 340.468 -0.201 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001345941164 843463523 /nfs/dbraw/zinc/46/35/23/843463523.db2.gz AHJLAVWZLCSAIE-BRWVUGGUSA-N 2 0 337.512 -0.236 20 0 EBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001347190244 843598629 /nfs/dbraw/zinc/59/86/29/843598629.db2.gz NPQUNRSXQKXNKJ-DOTOQJQBSA-N 2 0 335.496 -0.387 20 0 EBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC001347670973 843637273 /nfs/dbraw/zinc/63/72/73/843637273.db2.gz KWEDPVPEFDOCDZ-IXDOHACOSA-N 2 0 335.496 -0.387 20 0 EBADRP COCCOCCN1CCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001348845344 843756795 /nfs/dbraw/zinc/75/67/95/843756795.db2.gz DYOQHBFHORYURN-JKSUJKDBSA-N 2 0 340.468 -0.818 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001349033617 843795674 /nfs/dbraw/zinc/79/56/74/843795674.db2.gz UVBWEDIKHIPMGN-HUUCEWRRSA-N 2 0 340.468 -0.471 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)cn1 ZINC001349615890 843921787 /nfs/dbraw/zinc/92/17/87/843921787.db2.gz WACSQJDJEDCZMN-AEGPPILISA-N 2 0 348.451 -0.160 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)cn1 ZINC001349615892 843921938 /nfs/dbraw/zinc/92/19/38/843921938.db2.gz WACSQJDJEDCZMN-BPLDGKMQSA-N 2 0 348.451 -0.160 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]CCN1C(=O)CCC1=O)C1CC1 ZINC001670555521 1125808254 /nfs/dbraw/zinc/80/82/54/1125808254.db2.gz AMFMOABDYHRDMH-CQSZACIVSA-N 2 0 336.436 -0.284 20 0 EBADRP C[N@H+](CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC001691098434 1125832708 /nfs/dbraw/zinc/83/27/08/1125832708.db2.gz LVGYUKVEHARGHZ-SCRDCRAPSA-N 2 0 336.436 -0.240 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001691135175 1125836557 /nfs/dbraw/zinc/83/65/57/1125836557.db2.gz HUDPWCCKFLJSBV-IHRRRGAJSA-N 2 0 331.482 0.000 20 0 EBADRP CN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)CC(=O)NC[C@H]1CCOC1 ZINC001480935779 1125882529 /nfs/dbraw/zinc/88/25/29/1125882529.db2.gz RUNDXLVNCHIJSH-LSDHHAIUSA-N 2 0 340.468 -0.471 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)CCN1CCNC1=O ZINC001480951849 1125892715 /nfs/dbraw/zinc/89/27/15/1125892715.db2.gz OYDGKENGFTVMQR-CQSZACIVSA-N 2 0 325.457 -0.066 20 0 EBADRP CCNC(=O)NC(=O)CN1CCC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001481063368 1125915844 /nfs/dbraw/zinc/91/58/44/1125915844.db2.gz JAPHJTILNKYXHB-CYBMUJFWSA-N 2 0 341.456 -0.246 20 0 EBADRP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001481119672 1125926196 /nfs/dbraw/zinc/92/61/96/1125926196.db2.gz ZEAOCRKUFONKMB-LBPRGKRZSA-N 2 0 327.429 -0.649 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[NH+](CCN2CCNC2=O)C2CC2)CC[N@@H+]1C ZINC001481170057 1125933331 /nfs/dbraw/zinc/93/33/31/1125933331.db2.gz CCGFSBYAPJKSJO-UKRRQHHQSA-N 2 0 337.468 -0.068 20 0 EBADRP CN(CC[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001481215496 1125945153 /nfs/dbraw/zinc/94/51/53/1125945153.db2.gz JREBLYXXXVNOQJ-UONOGXRCSA-N 2 0 348.451 -0.332 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001481230629 1125948546 /nfs/dbraw/zinc/94/85/46/1125948546.db2.gz BJGLMXOGDSPAHT-AWEZNQCLSA-N 2 0 346.497 -0.685 20 0 EBADRP CN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001481246982 1125952164 /nfs/dbraw/zinc/95/21/64/1125952164.db2.gz DVNSQTCJFGYZMQ-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001481319456 1125973060 /nfs/dbraw/zinc/97/30/60/1125973060.db2.gz FHARVSGADONFTG-CQSZACIVSA-N 2 0 348.513 -0.344 20 0 EBADRP C[N@H+](CCNS(C)(=O)=O)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001481507037 1126005377 /nfs/dbraw/zinc/00/53/77/1126005377.db2.gz PVEHLLQFEKKPEJ-KGLIPLIRSA-N 2 0 346.497 -0.732 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001481497097 1126003557 /nfs/dbraw/zinc/00/35/57/1126003557.db2.gz IDZVMQTZVFXARE-NEPJUHHUSA-N 2 0 327.429 -0.698 20 0 EBADRP C[N@H+](CCNS(C)(=O)=O)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001481507036 1126005251 /nfs/dbraw/zinc/00/52/51/1126005251.db2.gz PVEHLLQFEKKPEJ-KBPBESRZSA-N 2 0 346.497 -0.732 20 0 EBADRP CNC(=O)NC(=O)CN1CC[C@@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001481728254 1126046880 /nfs/dbraw/zinc/04/68/80/1126046880.db2.gz WQRGIFGCLKWZFI-CYBMUJFWSA-N 2 0 339.440 -0.541 20 0 EBADRP CCC[N@H+](C)CCC(=O)N(C)[C@@H]1CCN(CC(=O)NC(=O)NC)C1 ZINC001481749328 1126051633 /nfs/dbraw/zinc/05/16/33/1126051633.db2.gz QVBRSCPAGPWHRR-CYBMUJFWSA-N 2 0 341.456 -0.293 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCCC2CC[NH+](CC(N)=O)CC2)CC1 ZINC001482050780 1126073721 /nfs/dbraw/zinc/07/37/21/1126073721.db2.gz FXHYTLGFAZQJKI-UHFFFAOYSA-N 2 0 340.468 -0.199 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC2CC[NH+](CC(=O)NC(N)=O)CC2)C1 ZINC001482051997 1126074200 /nfs/dbraw/zinc/07/42/00/1126074200.db2.gz WKBSZJKDUNPMOO-ZDUSSCGKSA-N 2 0 339.440 -0.649 20 0 EBADRP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001482111078 1126079547 /nfs/dbraw/zinc/07/95/47/1126079547.db2.gz ZTKYGQDYQAPQHF-QWHCGFSZSA-N 2 0 338.456 -0.175 20 0 EBADRP COCCCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482066670 1126075365 /nfs/dbraw/zinc/07/53/65/1126075365.db2.gz DPFATCCZIUKLEG-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001482293205 1126121273 /nfs/dbraw/zinc/12/12/73/1126121273.db2.gz WSENWILRDNRMFQ-LLVKDONJSA-N 2 0 327.429 -0.637 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001482293206 1126121302 /nfs/dbraw/zinc/12/13/02/1126121302.db2.gz WSENWILRDNRMFQ-NSHDSACASA-N 2 0 327.429 -0.637 20 0 EBADRP C[C@H](C[NH2+]Cc1cnnn1C)N(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001482341098 1126134434 /nfs/dbraw/zinc/13/44/34/1126134434.db2.gz VDPDHHIITWPGPF-CYBMUJFWSA-N 2 0 348.455 -0.177 20 0 EBADRP C[NH+](C)[C@H](CNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC001648966004 1126172850 /nfs/dbraw/zinc/17/28/50/1126172850.db2.gz BFLCQVDHPLNDDG-RQJABVFESA-N 2 0 329.466 -0.535 20 0 EBADRP CC[N@H+](CCNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC001648970097 1126178821 /nfs/dbraw/zinc/17/88/21/1126178821.db2.gz GKEFTTFFTCJJFX-BNOWGMLFSA-N 2 0 329.466 -0.390 20 0 EBADRP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001482551366 1126195875 /nfs/dbraw/zinc/19/58/75/1126195875.db2.gz ZICPBDFAWONJCM-RWMBFGLXSA-N 2 0 341.456 -0.358 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001482738373 1126272445 /nfs/dbraw/zinc/27/24/45/1126272445.db2.gz FCBQXZRUMGYCKM-ZIAGYGMSSA-N 2 0 326.441 -0.840 20 0 EBADRP Cc1ncc(C[NH2+]C[C@@H](O)CNC(=O)C23CCC[NH+]2CCC3)cn1 ZINC001482747621 1126276772 /nfs/dbraw/zinc/27/67/72/1126276772.db2.gz LMWVAIJREIMFPS-OAHLLOKOSA-N 2 0 333.436 -0.020 20 0 EBADRP C[C@H]1CCCCN1C(=O)C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C ZINC001482764402 1126281385 /nfs/dbraw/zinc/28/13/85/1126281385.db2.gz PVXGSDKBBAWHJL-KBPBESRZSA-N 2 0 328.457 -0.594 20 0 EBADRP Cc1oncc1C[NH2+]C[C@@H](O)CNC(=O)COC1CC[NH+](C)CC1 ZINC001482780275 1126282245 /nfs/dbraw/zinc/28/22/45/1126282245.db2.gz AUSRYBVQLLVUDV-CQSZACIVSA-N 2 0 340.424 -0.339 20 0 EBADRP Cn1cc(C[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)CC(C)(C)C)cn1 ZINC001482769100 1126283171 /nfs/dbraw/zinc/28/31/71/1126283171.db2.gz GFELSGLFAPWCOM-AWEZNQCLSA-N 2 0 325.457 -0.035 20 0 EBADRP CCOC1CC(C[NH2+]C[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001482785608 1126290535 /nfs/dbraw/zinc/29/05/35/1126290535.db2.gz KXWGDDVAGDIVRJ-SLTAFYQDSA-N 2 0 325.453 -0.036 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C1CC1 ZINC001482798687 1126294433 /nfs/dbraw/zinc/29/44/33/1126294433.db2.gz JIQGSKREEQZONI-LSDHHAIUSA-N 2 0 340.468 -0.452 20 0 EBADRP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001482968831 1126307487 /nfs/dbraw/zinc/30/74/87/1126307487.db2.gz ZEJYWRURQMMCHW-KGLIPLIRSA-N 2 0 326.441 -0.719 20 0 EBADRP CCN(CC[NH2+]CC(=O)NC(=O)NC)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482944280 1126304972 /nfs/dbraw/zinc/30/49/72/1126304972.db2.gz BNBLEYSBHOGLOI-LBPRGKRZSA-N 2 0 327.429 -0.636 20 0 EBADRP CCN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482950328 1126306293 /nfs/dbraw/zinc/30/62/93/1126306293.db2.gz NGYYLBQZJREGQJ-HNNXBMFYSA-N 2 0 340.468 -0.375 20 0 EBADRP CCN(CC[NH2+][C@@H]1CCCNC1=O)C(=O)COC1CC[NH+](C)CC1 ZINC001482959281 1126306810 /nfs/dbraw/zinc/30/68/10/1126306810.db2.gz ADADQOIMRNSELT-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP CN(CC[NH2+]CCCN1C(=O)CNC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001691558229 1126321265 /nfs/dbraw/zinc/32/12/65/1126321265.db2.gz FPMKXVNCEBGDBM-UHFFFAOYSA-N 2 0 337.424 -0.928 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001691603273 1126325016 /nfs/dbraw/zinc/32/50/16/1126325016.db2.gz XVGMTEBZTAJHIO-KGLIPLIRSA-N 2 0 326.441 -0.767 20 0 EBADRP O=C(NC/C=C/C[NH2+]C[C@@H](O)Cn1cccn1)C12CC[NH+](CC1)C2 ZINC001483083537 1126330404 /nfs/dbraw/zinc/33/04/04/1126330404.db2.gz LOXWQOQNSJCEPB-BGTMTDRBSA-N 2 0 333.436 -0.398 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001483241301 1126409503 /nfs/dbraw/zinc/40/95/03/1126409503.db2.gz ROMSNTCOYCEPPC-QWHCGFSZSA-N 2 0 341.456 -0.199 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)n(C)n1 ZINC001483294426 1126414574 /nfs/dbraw/zinc/41/45/74/1126414574.db2.gz ZFGHEQUTYWLSNT-STQMWFEESA-N 2 0 336.440 -0.287 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001483456095 1126428706 /nfs/dbraw/zinc/42/87/06/1126428706.db2.gz MOBKIBNWGNDGJA-NWDGAFQWSA-N 2 0 327.429 -0.637 20 0 EBADRP C[C@H]([NH2+]C[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C1CC1)C(N)=O ZINC001483570087 1126436079 /nfs/dbraw/zinc/43/60/79/1126436079.db2.gz GWQDWJVGKCXEGF-GXTWGEPZSA-N 2 0 340.468 -0.297 20 0 EBADRP CCN1CCO[C@H](C(=O)N[C@H](C[NH2+]CC(N)=O)C2CCCC2)C1 ZINC001484012113 1126497164 /nfs/dbraw/zinc/49/71/64/1126497164.db2.gz PKZDABXGSQCZJC-KGLIPLIRSA-N 2 0 326.441 -0.543 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCOCCO)CCOCC1 ZINC001484178301 1126513119 /nfs/dbraw/zinc/51/31/19/1126513119.db2.gz GOXFXWYDFMWJKW-CQSZACIVSA-N 2 0 329.441 -0.656 20 0 EBADRP Cn1nncc1C[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CCOCC1 ZINC001484190459 1126514807 /nfs/dbraw/zinc/51/48/07/1126514807.db2.gz QLFUICQFXBAGNA-UHFFFAOYSA-N 2 0 348.451 -0.334 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001484379373 1126566823 /nfs/dbraw/zinc/56/68/23/1126566823.db2.gz CNEFZNMFYPUPSH-KBPBESRZSA-N 2 0 340.468 -0.473 20 0 EBADRP C[C@H]([NH2+]CCOCCO)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001484352816 1126564936 /nfs/dbraw/zinc/56/49/36/1126564936.db2.gz MUJQHUMDMFYPFD-LSDHHAIUSA-N 2 0 325.453 -0.082 20 0 EBADRP C[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001484355541 1126565078 /nfs/dbraw/zinc/56/50/78/1126565078.db2.gz HIJGKWLIPJQLGC-NWDGAFQWSA-N 2 0 325.413 -0.896 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]CC(=O)Nc1ccon1 ZINC001484478376 1126590710 /nfs/dbraw/zinc/59/07/10/1126590710.db2.gz OGUJLHYAWVLCLN-LBPRGKRZSA-N 2 0 339.396 -0.882 20 0 EBADRP C[C@H]([NH2+]CCN(C)C(=O)CC[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001493806815 1126594239 /nfs/dbraw/zinc/59/42/39/1126594239.db2.gz PFPLKKLPOFLQAE-LBPRGKRZSA-N 2 0 327.429 -0.506 20 0 EBADRP CNC(=O)C[NH2+]CCN(CCO)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001484494258 1126597100 /nfs/dbraw/zinc/59/71/00/1126597100.db2.gz WKBLLTCPBYMECD-INIZCTEOSA-N 2 0 346.447 -0.645 20 0 EBADRP CNC(=O)C[NH2+]CCN(CCO)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001484494259 1126597270 /nfs/dbraw/zinc/59/72/70/1126597270.db2.gz WKBLLTCPBYMECD-MRXNPFEDSA-N 2 0 346.447 -0.645 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC001484676931 1126618315 /nfs/dbraw/zinc/61/83/15/1126618315.db2.gz GOGYCVGUMBSXMM-LSDHHAIUSA-N 2 0 338.452 -0.719 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCO1 ZINC001484692164 1126619767 /nfs/dbraw/zinc/61/97/67/1126619767.db2.gz ZLUSNIBPOCEVTM-HNNXBMFYSA-N 2 0 340.468 -0.377 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001484682825 1126620703 /nfs/dbraw/zinc/62/07/03/1126620703.db2.gz VVEPOHRUCFNBBF-KGLIPLIRSA-N 2 0 326.441 -0.591 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001484686436 1126621809 /nfs/dbraw/zinc/62/18/09/1126621809.db2.gz UGAXXLDPWNDWFA-CYBMUJFWSA-N 2 0 326.441 -0.767 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001484695783 1126624718 /nfs/dbraw/zinc/62/47/18/1126624718.db2.gz IRSVTWYAOGXAAM-GJZGRUSLSA-N 2 0 340.468 -0.330 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]Cc2nncn2C)CCOCC1 ZINC001484872951 1126648204 /nfs/dbraw/zinc/64/82/04/1126648204.db2.gz QWEDASUIKCFYII-UHFFFAOYSA-N 2 0 338.456 -0.090 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(O)(C[NH2+]C[C@H]3CCOC3)CC2)C1 ZINC001484964336 1126657290 /nfs/dbraw/zinc/65/72/90/1126657290.db2.gz IDIYNZVLUJVULC-HUUCEWRRSA-N 2 0 325.453 -0.082 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CC1(O)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001484958930 1126659085 /nfs/dbraw/zinc/65/90/85/1126659085.db2.gz AZDYWDLEEBDGQS-CYBMUJFWSA-N 2 0 340.468 -0.594 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC(O)(C[NH2+]CC(=O)N2CCC2)CC1 ZINC001484965240 1126657431 /nfs/dbraw/zinc/65/74/31/1126657431.db2.gz YINYHFXBXCXNPK-UHFFFAOYSA-N 2 0 340.468 -0.498 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001485241916 1126683963 /nfs/dbraw/zinc/68/39/63/1126683963.db2.gz PEYZCWSADCLONM-UHFFFAOYSA-N 2 0 341.456 -0.247 20 0 EBADRP CN(CC(C)(C)C[NH2+]CC(=O)NC(N)=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001485264749 1126684191 /nfs/dbraw/zinc/68/41/91/1126684191.db2.gz ZQKFOUKSKANDAO-LBPRGKRZSA-N 2 0 341.456 -0.403 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001485696480 1126806483 /nfs/dbraw/zinc/80/64/83/1126806483.db2.gz WUYOMIHFXZMADJ-HAQNSBGRSA-N 2 0 327.429 -0.732 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC([NH+](C)CC(=O)NC(N)=O)CC2)C1 ZINC001485764197 1126826891 /nfs/dbraw/zinc/82/68/91/1126826891.db2.gz YNZCTOHRGJLLSO-LBPRGKRZSA-N 2 0 339.440 -0.554 20 0 EBADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001649052962 1126865514 /nfs/dbraw/zinc/86/55/14/1126865514.db2.gz MBFMQVCUECMFPM-WCXIOVBPSA-N 2 0 336.480 -0.245 20 0 EBADRP C[NH2+][C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1cnn(C)c1 ZINC001649041071 1126862362 /nfs/dbraw/zinc/86/23/62/1126862362.db2.gz DJJAXIAMNHFXMS-OAGGEKHMSA-N 3 0 336.484 -0.122 20 0 EBADRP C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCN2CCNC2=O)C1 ZINC001409944446 1126889692 /nfs/dbraw/zinc/88/96/92/1126889692.db2.gz OYBXYJPRBYOYLE-KBPBESRZSA-N 2 0 337.468 -0.210 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001485854813 1126897393 /nfs/dbraw/zinc/89/73/93/1126897393.db2.gz HJQHHPJFUDNSTB-NEPJUHHUSA-N 2 0 327.429 -0.637 20 0 EBADRP C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCNS(C)(=O)=O ZINC001485911469 1126913338 /nfs/dbraw/zinc/91/33/38/1126913338.db2.gz DUIYKLXAIDSQDL-STQMWFEESA-N 2 0 334.486 -0.544 20 0 EBADRP CCCNC(=O)C[NH2+][C@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001486008491 1126982983 /nfs/dbraw/zinc/98/29/83/1126982983.db2.gz PIFLBTPSXKTRPW-AWEZNQCLSA-N 2 0 340.468 -0.545 20 0 EBADRP CC[C@@H]([NH2+][C@H](CO)CNC(=O)C1CC[NH+](C(C)C)CC1)C(N)=O ZINC001486048045 1126995739 /nfs/dbraw/zinc/99/57/39/1126995739.db2.gz HIWTTWZTFBGREN-UONOGXRCSA-N 2 0 328.457 -0.563 20 0 EBADRP CC(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001486027067 1126997605 /nfs/dbraw/zinc/99/76/05/1126997605.db2.gz JZPXVNDKZDHLAG-IHRRRGAJSA-N 2 0 328.457 -0.692 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](CO)[NH2+]CCN2CCCC2=O)C1 ZINC001486032805 1127002338 /nfs/dbraw/zinc/00/23/38/1127002338.db2.gz DEUSZSWPNDYTHY-ZIAGYGMSSA-N 2 0 326.441 -0.983 20 0 EBADRP CCN(C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001486062890 1127013016 /nfs/dbraw/zinc/01/30/16/1127013016.db2.gz ZZVOGCKFXWEERW-QWHCGFSZSA-N 2 0 326.441 -0.984 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H](CO)[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC001486052116 1127021442 /nfs/dbraw/zinc/02/14/42/1127021442.db2.gz YUFYIAVZWNRLAJ-ZIAGYGMSSA-N 2 0 342.484 -0.206 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001486086138 1127029072 /nfs/dbraw/zinc/02/90/72/1127029072.db2.gz UOQVOBMEJXKXAP-NEPJUHHUSA-N 2 0 327.429 -0.637 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001486095199 1127032220 /nfs/dbraw/zinc/03/22/20/1127032220.db2.gz HJZIUUWSYHDVFV-KGLIPLIRSA-N 2 0 346.497 -0.400 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001486280842 1127077747 /nfs/dbraw/zinc/07/77/47/1127077747.db2.gz JQAITBOSOXGIKC-CABCVRRESA-N 2 0 340.468 -0.452 20 0 EBADRP CN(C[C@H](O)C[NH2+]C[C@H]1CCCS(=O)(=O)C1)C(=O)CC[NH+](C)C ZINC001486296645 1127104349 /nfs/dbraw/zinc/10/43/49/1127104349.db2.gz AABPLIHAXDIZGZ-ZIAGYGMSSA-N 2 0 349.497 -0.828 20 0 EBADRP CN(C[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)CC1CC[NH+](C)CC1 ZINC001486302883 1127107360 /nfs/dbraw/zinc/10/73/60/1127107360.db2.gz HDXPAMGCDPFLCJ-HUUCEWRRSA-N 2 0 340.468 -0.642 20 0 EBADRP CN(C[C@H](O)C[NH2+]CC(=O)NC(C)(C)C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001486309906 1127114543 /nfs/dbraw/zinc/11/45/43/1127114543.db2.gz MWXNKPVLXRXWFL-UONOGXRCSA-N 2 0 342.484 -0.348 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001486310001 1127114851 /nfs/dbraw/zinc/11/48/51/1127114851.db2.gz HWJMORJUHCEDEU-ZFWWWQNUSA-N 2 0 340.468 -0.642 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CC(=O)NC1CCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001486317861 1127120311 /nfs/dbraw/zinc/12/03/11/1127120311.db2.gz RIIUSPFNLDBXKZ-ZFWWWQNUSA-N 2 0 340.468 -0.594 20 0 EBADRP Cc1ncc(C[NH2+]C[C@H](O)CN(C)C(=O)C23CC[NH+](CC2)C3)cn1 ZINC001486311456 1127124496 /nfs/dbraw/zinc/12/44/96/1127124496.db2.gz IWEUCSQYYCHHGT-HNNXBMFYSA-N 2 0 333.436 -0.210 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001486388836 1127166776 /nfs/dbraw/zinc/16/67/76/1127166776.db2.gz FBRFFGIPJKDYFI-RYUDHWBXSA-N 2 0 341.456 -0.343 20 0 EBADRP COC[C@@H](O)C[NH2+]C1CC(N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001486479503 1127184294 /nfs/dbraw/zinc/18/42/94/1127184294.db2.gz PBOULHRJSGPTTK-NRXISQOPSA-N 2 0 343.468 -0.317 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](O)CNC(=O)C[NH+]2CCCC2)C1 ZINC001410106041 1127568912 /nfs/dbraw/zinc/56/89/12/1127568912.db2.gz DTXOPZSJKNJTNZ-KGLIPLIRSA-N 2 0 326.441 -0.983 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001410114557 1127578124 /nfs/dbraw/zinc/57/81/24/1127578124.db2.gz ATGLWWNFOANZBZ-ZDUSSCGKSA-N 2 0 342.484 -0.206 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001410127121 1127592111 /nfs/dbraw/zinc/59/21/11/1127592111.db2.gz JFNPUPUKDFMAIT-CABCVRRESA-N 2 0 340.468 -0.593 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NC[C@H](O)CNC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC001410134637 1127604660 /nfs/dbraw/zinc/60/46/60/1127604660.db2.gz DQRYHBMPQHVWBF-ZQDZILKHSA-N 2 0 340.468 -0.596 20 0 EBADRP CCCNC(=O)C[NH2+][C@@H](C)[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001410156480 1127617378 /nfs/dbraw/zinc/61/73/78/1127617378.db2.gz QETYXTIOMCXSAA-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CCCNC(=O)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001410156454 1127617627 /nfs/dbraw/zinc/61/76/27/1127617627.db2.gz QETYXTIOMCXSAA-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]([NH2+]CC(=O)N(C)C)[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001410166387 1127623796 /nfs/dbraw/zinc/62/37/96/1127623796.db2.gz ZAZARKIXONQGLC-KGLIPLIRSA-N 2 0 340.468 -0.236 20 0 EBADRP CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)N1CCOCC1)[NH+](C)C ZINC001410387690 1127697061 /nfs/dbraw/zinc/69/70/61/1127697061.db2.gz QMQGQSFEKAFKMI-HOCLYGCPSA-N 2 0 342.484 -0.132 20 0 EBADRP C[C@@H](CN(C)C(=O)COC1CC[NH+](C)CC1)[NH2+]CC(=O)N(C)C ZINC001410480463 1127726364 /nfs/dbraw/zinc/72/63/64/1127726364.db2.gz QSZSECAKXBTSSO-ZDUSSCGKSA-N 2 0 328.457 -0.378 20 0 EBADRP CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)C[NH+]2CCC(C)CC2)C1=O ZINC001410767467 1127872258 /nfs/dbraw/zinc/87/22/58/1127872258.db2.gz XHPDMILOWOLOSM-GJZGRUSLSA-N 2 0 340.468 -0.594 20 0 EBADRP CC(C)[C@H](C(=O)N1C[C@H]([NH2+]CC(=O)NC(N)=O)C(C)(C)C1)[NH+](C)C ZINC001410986421 1127962003 /nfs/dbraw/zinc/96/20/03/1127962003.db2.gz OFPKLLXRMUEBRA-WCQYABFASA-N 2 0 341.456 -0.406 20 0 EBADRP NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001411020049 1127977021 /nfs/dbraw/zinc/97/70/21/1127977021.db2.gz OWMJWKSVICPFAF-GHMZBOCLSA-N 2 0 336.358 -0.206 20 0 EBADRP Cc1cncn1CC(=O)N(C)C[C@H](O)CNCc1ncc(C)cn1 ZINC001411042841 1127984270 /nfs/dbraw/zinc/98/42/70/1127984270.db2.gz BNAATOGXKFILIT-CQSZACIVSA-N 2 0 332.408 -0.101 20 0 EBADRP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001411053794 1127990609 /nfs/dbraw/zinc/99/06/09/1127990609.db2.gz HCRSCSSPHXXPBB-ZDUSSCGKSA-N 2 0 333.392 -0.589 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001411053790 1127990727 /nfs/dbraw/zinc/99/07/27/1127990727.db2.gz HCRSCSSPHXXPBB-CYBMUJFWSA-N 2 0 333.392 -0.589 20 0 EBADRP CN(C[C@H](O)C[NH2+]CC(=O)NC(C)(C)C)C(=O)C1CC[NH+](C)CC1 ZINC001411082222 1128007797 /nfs/dbraw/zinc/00/77/97/1128007797.db2.gz MREVWTULRNLIOM-CQSZACIVSA-N 2 0 342.484 -0.348 20 0 EBADRP CN(C[C@H](O)C[N@H+](C)CCN1CCCC1=O)C(=O)[C@@H]1CCC[NH+]1C ZINC001411160751 1128058488 /nfs/dbraw/zinc/05/84/88/1128058488.db2.gz GQRNAAXWTRJOOJ-CABCVRRESA-N 2 0 340.468 -0.546 20 0 EBADRP CN(C[C@@H](O)C[N@H+](C)[C@@H]1CCN(C)C1=O)C(=O)C[NH+](C)C1CCC1 ZINC001411167624 1128064613 /nfs/dbraw/zinc/06/46/13/1128064613.db2.gz JKIMKQPKWSBRTF-LSDHHAIUSA-N 2 0 340.468 -0.548 20 0 EBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001092615626 1128259200 /nfs/dbraw/zinc/25/92/00/1128259200.db2.gz LWCJYFDYQUNNLI-CHWSQXEVSA-N 2 0 336.440 -0.772 20 0 EBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001093040778 1128293207 /nfs/dbraw/zinc/29/32/07/1128293207.db2.gz UMYAWQOLOZJLHQ-CHWSQXEVSA-N 2 0 336.440 -0.772 20 0 EBADRP CC[NH2+]Cc1cn(C2CN(C(=O)COC3CC[NH+](C)CC3)C2)nn1 ZINC001093339940 1128333727 /nfs/dbraw/zinc/33/37/27/1128333727.db2.gz MLCSTNVCQFTSSK-UHFFFAOYSA-N 2 0 336.440 -0.118 20 0 EBADRP COC[C@]1(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C[NH2+]CCO1 ZINC001649156713 1128339672 /nfs/dbraw/zinc/33/96/72/1128339672.db2.gz FKJZBTPUZUZVIU-LZWOXQAQSA-N 2 0 327.425 -0.951 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCOC3(CCC([NH2+]CC(N)=O)CC3)C2)C1 ZINC001093413324 1128340058 /nfs/dbraw/zinc/34/00/58/1128340058.db2.gz SFQOQWRNHMBNKT-TUBUQKNSSA-N 2 0 338.452 -0.447 20 0 EBADRP O=C(C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)NC1CCOCC1 ZINC001187835001 1128356071 /nfs/dbraw/zinc/35/60/71/1128356071.db2.gz MPIAEEGNSHAMGH-OAHLLOKOSA-N 2 0 338.452 -0.432 20 0 EBADRP CC[C@@H](C(=O)N[C@H](CO)CNC(=O)C(C)(C)[NH+]1CCCC1)[NH+](C)C ZINC001488058227 1128557316 /nfs/dbraw/zinc/55/73/16/1128557316.db2.gz NZEJGIDZJLXYJH-KBPBESRZSA-N 2 0 342.484 -0.206 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@@H](CO)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001488079622 1128614154 /nfs/dbraw/zinc/61/41/54/1128614154.db2.gz GTNOWYJKWAGLHS-GJZGRUSLSA-N 2 0 340.468 -0.737 20 0 EBADRP CN(C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2)C(=O)CC[NH+](C)C ZINC001488436481 1128772975 /nfs/dbraw/zinc/77/29/75/1128772975.db2.gz PYSVDRCLEAPVHM-CQSZACIVSA-N 2 0 340.468 -0.688 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001488729069 1128832534 /nfs/dbraw/zinc/83/25/34/1128832534.db2.gz BJNCAVOHBNHOLA-XQQFMLRXSA-N 2 0 339.440 -0.462 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2[NH2+]CCCO)cn1 ZINC001488982460 1128894358 /nfs/dbraw/zinc/89/43/58/1128894358.db2.gz WTZXXQZNHDNQNS-JKSUJKDBSA-N 2 0 335.452 -0.218 20 0 EBADRP CCO[C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1C[NH2+]CC(N)=O ZINC001489021132 1128899651 /nfs/dbraw/zinc/89/96/51/1128899651.db2.gz XLHRXJFRCIMUFB-CPUCHLNUSA-N 2 0 338.452 -0.589 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001490280214 1129156693 /nfs/dbraw/zinc/15/66/93/1129156693.db2.gz VTRVPZIOJQXHFT-CYBMUJFWSA-N 2 0 341.456 -0.246 20 0 EBADRP CC[N@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)CC(=O)NC(=O)NC ZINC001490346417 1129162396 /nfs/dbraw/zinc/16/23/96/1129162396.db2.gz BJJGLQLUAQFTPL-ZDUSSCGKSA-N 2 0 341.456 -0.388 20 0 EBADRP CC[N@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)CC(=O)NC(=O)NC ZINC001490346416 1129162677 /nfs/dbraw/zinc/16/26/77/1129162677.db2.gz BJJGLQLUAQFTPL-CYBMUJFWSA-N 2 0 341.456 -0.388 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1)[NH+](C)C ZINC001414034075 1131336993 /nfs/dbraw/zinc/33/69/93/1131336993.db2.gz HWGRWJXHWMEIPP-HZSPNIEDSA-N 2 0 328.457 -0.380 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@@H]1O ZINC001414048076 1131351859 /nfs/dbraw/zinc/35/18/59/1131351859.db2.gz JFGNIWPORRYDAP-ZNMIVQPWSA-N 2 0 340.468 -0.500 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC001490558840 1129226138 /nfs/dbraw/zinc/22/61/38/1129226138.db2.gz PWYSPWFMTSKXFY-LBPRGKRZSA-N 2 0 325.413 -0.930 20 0 EBADRP CC[C@H](C(=O)NC1(CCO)CN(C(=O)C[N@H+](C)C(C)C)C1)[NH+](C)C ZINC001411761986 1129372261 /nfs/dbraw/zinc/37/22/61/1129372261.db2.gz AVJVWMOGZWLYQM-CQSZACIVSA-N 2 0 342.484 -0.254 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001490876245 1129699211 /nfs/dbraw/zinc/69/92/11/1129699211.db2.gz DYAOWKCGYZGZPY-SRVKXCTJSA-N 2 0 325.413 -0.837 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](CO)CNC(=O)C[NH+]2CCCC2)C1 ZINC001412851481 1129732590 /nfs/dbraw/zinc/73/25/90/1129732590.db2.gz FIDOAUHAXPIRAR-UONOGXRCSA-N 2 0 326.441 -0.983 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)NC(=O)CCC[NH+](C)C)CC[N@@H+]1C ZINC001412863952 1129740369 /nfs/dbraw/zinc/74/03/69/1129740369.db2.gz HEVXZESATWSBNU-HZSPNIEDSA-N 2 0 328.457 -0.738 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H](CO)NC(=O)c1cccc2nccn21 ZINC001412936327 1129797887 /nfs/dbraw/zinc/79/78/87/1129797887.db2.gz RFQUHTYPDRYCBY-CYBMUJFWSA-N 2 0 347.419 -0.117 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H](CO)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001412976947 1129833504 /nfs/dbraw/zinc/83/35/04/1129833504.db2.gz XQGBEZXNUPYMCL-CYBMUJFWSA-N 2 0 333.392 -0.507 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001413270598 1129981832 /nfs/dbraw/zinc/98/18/32/1129981832.db2.gz NIYNZAOMBHKUJA-CQSZACIVSA-N 2 0 342.484 -0.254 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@H]1C[NH+](C)C ZINC001413414610 1130078366 /nfs/dbraw/zinc/07/83/66/1130078366.db2.gz UMEABCMFLTVVTA-MCIONIFRSA-N 2 0 325.457 -0.273 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001490924917 1130265772 /nfs/dbraw/zinc/26/57/72/1130265772.db2.gz SUKOYEQKTPPKQR-HAQNSBGRSA-N 2 0 325.413 -0.979 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)Nc3cnccn3)C2)C1 ZINC001490953988 1130272058 /nfs/dbraw/zinc/27/20/58/1130272058.db2.gz CJXJNUYQMKGHGW-AVGNSLFASA-N 2 0 332.408 -0.396 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CC(=O)NC(N)=O)CC[C@H]21 ZINC001490984910 1130281016 /nfs/dbraw/zinc/28/10/16/1130281016.db2.gz VEGSPENBZYGUEH-QWHCGFSZSA-N 2 0 339.440 -0.554 20 0 EBADRP CN1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC(C)(C)C)C2)C1 ZINC001491004153 1130285071 /nfs/dbraw/zinc/28/50/71/1130285071.db2.gz BZRKUWVAUHJIFK-XQQFMLRXSA-N 2 0 326.441 -0.532 20 0 EBADRP CS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001491018164 1130290864 /nfs/dbraw/zinc/29/08/64/1130290864.db2.gz BXCFGRXXPQAENO-MJBXVCDLSA-N 2 0 344.481 -0.886 20 0 EBADRP NC(=O)NC(=O)C[NH2+]C[C@H]1CCCN(C(=O)CCc2c[nH]cn2)C1 ZINC001491153298 1130344053 /nfs/dbraw/zinc/34/40/53/1130344053.db2.gz KDPIRRDYIAGRMP-LLVKDONJSA-N 2 0 336.396 -0.635 20 0 EBADRP NC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)CCc2c[nH]cn2)C1 ZINC001491153299 1130344431 /nfs/dbraw/zinc/34/44/31/1130344431.db2.gz KDPIRRDYIAGRMP-NSHDSACASA-N 2 0 336.396 -0.635 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@H](C[NH2+]CCNS(C)(=O)=O)C1 ZINC001491169783 1130347784 /nfs/dbraw/zinc/34/77/84/1130347784.db2.gz FPQFTHZPYZULDD-CYBMUJFWSA-N 2 0 334.486 -0.685 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001491318773 1130397695 /nfs/dbraw/zinc/39/76/95/1130397695.db2.gz ATKXQUANXLYBKG-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001491336971 1130405953 /nfs/dbraw/zinc/40/59/53/1130405953.db2.gz OUGHPOLDKHQGJH-KFWWJZLASA-N 2 0 340.468 -0.332 20 0 EBADRP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]C[C@H](O)Cn1cccn1 ZINC001491513031 1130478047 /nfs/dbraw/zinc/47/80/47/1130478047.db2.gz JZUMPQZMQMCISV-GJZGRUSLSA-N 2 0 335.452 -0.033 20 0 EBADRP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CCN(C)S(C)(=O)=O ZINC001491514036 1130478366 /nfs/dbraw/zinc/47/83/66/1130478366.db2.gz XAFNZWONIJJTMK-CYBMUJFWSA-N 2 0 346.497 -0.400 20 0 EBADRP CC[C@@H](C(=O)N(C)CCC[N@H+](C)[C@@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001280857151 1130526594 /nfs/dbraw/zinc/52/65/94/1130526594.db2.gz QGOBAYBNSQRVDL-QWHCGFSZSA-N 2 0 326.441 -0.088 20 0 EBADRP C[C@@H](C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1)CS(C)(=O)=O ZINC001480196508 1130763637 /nfs/dbraw/zinc/76/36/37/1130763637.db2.gz JLONBXBTQNLQBN-FQUUOJAGSA-N 2 0 331.482 -0.002 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001480523995 1130825576 /nfs/dbraw/zinc/82/55/76/1130825576.db2.gz IXYPQNSBMQTJAS-NWDGAFQWSA-N 2 0 341.456 -0.343 20 0 EBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001480530722 1130826559 /nfs/dbraw/zinc/82/65/59/1130826559.db2.gz MYDFJCYFUNVPIP-QWRGUYRKSA-N 2 0 327.429 -0.591 20 0 EBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC[NH2+]CCC23CCOCC3)C1=O ZINC001356535714 1130879270 /nfs/dbraw/zinc/87/92/70/1130879270.db2.gz VTBPNXQVABCZOF-AWEZNQCLSA-N 2 0 338.452 -0.445 20 0 EBADRP COC(=O)NCCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001357435335 1131088862 /nfs/dbraw/zinc/08/88/62/1131088862.db2.gz QFSDLMOISUFYRJ-OKILXGFUSA-N 2 0 339.440 -0.047 20 0 EBADRP O=C(NCCCCCN1CC[NH2+]CC1)N1CCOC2(C[NH2+]C2)C1 ZINC001357592469 1131104952 /nfs/dbraw/zinc/10/49/52/1131104952.db2.gz YEYQGZQILCYHKQ-UHFFFAOYSA-N 2 0 325.457 -0.554 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001413978228 1131187955 /nfs/dbraw/zinc/18/79/55/1131187955.db2.gz BAWAXWZKPHSCMI-RBSFLKMASA-N 2 0 340.468 -0.642 20 0 EBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)c3cn([C@@H]4CC[C@H]4O)nn3)C2)CC1 ZINC001361819046 1131461113 /nfs/dbraw/zinc/46/11/13/1131461113.db2.gz IPNPCVVWODCNOX-APHBMKBZSA-N 2 0 348.451 -0.128 20 0 EBADRP CN1CCN(S(=O)(=O)N(CC[NH+](C)C)Cc2ccccn2)CC1 ZINC001363980440 1132152443 /nfs/dbraw/zinc/15/24/43/1132152443.db2.gz VKUSRPRQRHOVKL-UHFFFAOYSA-N 2 0 341.481 -0.063 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@H]1C[NH+](C)C ZINC001364447893 1132320162 /nfs/dbraw/zinc/32/01/62/1132320162.db2.gz FQWAHHOEDGCMAP-RBSFLKMASA-N 2 0 339.484 -0.025 20 0 EBADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](CCC(=O)OC)C[C@@H]1C ZINC001365286434 1132608652 /nfs/dbraw/zinc/60/86/52/1132608652.db2.gz JFDKGTWZUFSZGY-LSDHHAIUSA-N 2 0 331.457 -0.505 20 0 EBADRP COC[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001365842197 1132828532 /nfs/dbraw/zinc/82/85/32/1132828532.db2.gz NYXKTKZWLJKCPY-ANQUJSFKSA-N 2 0 325.453 -0.036 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001365858699 1132836334 /nfs/dbraw/zinc/83/63/34/1132836334.db2.gz WYIOEUJEVFKKID-BFHYXJOUSA-N 2 0 331.482 -0.143 20 0 EBADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCCN2CC[NH+](CCO)CC2)C1 ZINC001365966448 1132929979 /nfs/dbraw/zinc/92/99/79/1132929979.db2.gz YVDLEKMEIUFBQP-QGZVFWFLSA-N 2 0 344.475 -0.075 20 0 EBADRP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001366094009 1133000743 /nfs/dbraw/zinc/00/07/43/1133000743.db2.gz KWEYCSZMIAEGEG-UONOGXRCSA-N 2 0 339.440 -0.744 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001366095325 1133001215 /nfs/dbraw/zinc/00/12/15/1133001215.db2.gz YJUKRELJHQJFEB-AVGNSLFASA-N 2 0 339.440 -0.637 20 0 EBADRP C[C@@H](C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1)CS(C)(=O)=O ZINC001366103378 1133007277 /nfs/dbraw/zinc/00/72/77/1133007277.db2.gz PKKOXHIITYMAPI-KBPBESRZSA-N 2 0 331.482 -0.047 20 0 EBADRP O=C(N[C@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001366115877 1133013584 /nfs/dbraw/zinc/01/35/84/1133013584.db2.gz LPRBJKRLVIDNOF-VQHPVUNQSA-N 2 0 347.463 -0.177 20 0 EBADRP CCN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001366129158 1133019187 /nfs/dbraw/zinc/01/91/87/1133019187.db2.gz GGWQBVJJFVRTJX-RBSFLKMASA-N 2 0 340.468 -0.330 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)NC(N)=O)C1 ZINC001366137713 1133022678 /nfs/dbraw/zinc/02/26/78/1133022678.db2.gz RBFJRSVQNROUNS-WODVXLOZSA-N 2 0 337.424 -0.755 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001366144907 1133024946 /nfs/dbraw/zinc/02/49/46/1133024946.db2.gz CJXPTSBICZCOQH-XQQFMLRXSA-N 2 0 337.424 -0.979 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001366146458 1133026030 /nfs/dbraw/zinc/02/60/30/1133026030.db2.gz BIHRYFAQDMWSHB-NJMOYASZSA-N 2 0 339.440 -0.593 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001366174282 1133039747 /nfs/dbraw/zinc/03/97/47/1133039747.db2.gz UGIWJWXXKRNHHE-ZNMIVQPWSA-N 2 0 340.468 -0.141 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001366238283 1133071094 /nfs/dbraw/zinc/07/10/94/1133071094.db2.gz OWTIRFCKHIMBGW-RFBLXINOSA-N 2 0 341.452 -0.992 20 0 EBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001366345085 1133106768 /nfs/dbraw/zinc/10/67/68/1133106768.db2.gz KZAXIKQXBZMXBI-KBPBESRZSA-N 2 0 338.452 -0.840 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)Nc1nncs1 ZINC001366359624 1133110996 /nfs/dbraw/zinc/11/09/96/1133110996.db2.gz RWMADZOCBFJAIR-UWVGGRQHSA-N 2 0 326.426 -0.477 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CC(=O)Nc3cnccn3)C2)C1 ZINC001366398789 1133130560 /nfs/dbraw/zinc/13/05/60/1133130560.db2.gz ZPPSWNKVKXJZIB-KGLIPLIRSA-N 2 0 346.435 -0.053 20 0 EBADRP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)N1CCOCC1 ZINC001366471458 1133152462 /nfs/dbraw/zinc/15/24/62/1133152462.db2.gz HSBNRWVFEKVCAK-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](CCNC(=O)[C@H](C)C[NH+]1CCOCC1)[NH2+]CC(=O)N(C)C ZINC001366512500 1133163234 /nfs/dbraw/zinc/16/32/34/1133163234.db2.gz WMDNSIUDQLIPKF-ZIAGYGMSSA-N 2 0 328.457 -0.473 20 0 EBADRP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nnc2n1CCOC2 ZINC001366513465 1133163408 /nfs/dbraw/zinc/16/34/08/1133163408.db2.gz ZMQPQRAEVGVYDW-OLZOCXBDSA-N 2 0 336.440 -0.256 20 0 EBADRP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)[C@H](C)C(=O)NC(=O)NC ZINC001366710276 1133265583 /nfs/dbraw/zinc/26/55/83/1133265583.db2.gz XOMKAIAXKHNKEL-CHWSQXEVSA-N 2 0 341.456 -0.247 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CCN2CCNC2=O)C1 ZINC001367054622 1133455640 /nfs/dbraw/zinc/45/56/40/1133455640.db2.gz BRJSTNGDPNIYEZ-CQSZACIVSA-N 2 0 325.457 -0.116 20 0 EBADRP CC[C@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CCN1CCNC1=O ZINC001367131204 1133483575 /nfs/dbraw/zinc/48/35/75/1133483575.db2.gz BHJHYOXGTSZGJI-PBHICJAKSA-N 2 0 337.468 -0.018 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC2(C[NH2+]CC(=O)NC(N)=O)CCCC2)C1 ZINC001367161594 1133490486 /nfs/dbraw/zinc/49/04/86/1133490486.db2.gz SBXLETDDZZVGKF-GFCCVEGCSA-N 2 0 339.440 -0.458 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001367203868 1133500323 /nfs/dbraw/zinc/50/03/23/1133500323.db2.gz WPSNGWCBXWSTOS-JHJVBQTASA-N 2 0 339.440 -0.460 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001367225156 1133507516 /nfs/dbraw/zinc/50/75/16/1133507516.db2.gz OBXNMDSKJLJVEG-CYBMUJFWSA-N 2 0 338.456 -0.079 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001367288266 1133526728 /nfs/dbraw/zinc/52/67/28/1133526728.db2.gz KPSYWDUCKSNBPV-RYUDHWBXSA-N 2 0 339.440 -0.732 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)[C@@H](C)C1 ZINC001367454272 1133594339 /nfs/dbraw/zinc/59/43/39/1133594339.db2.gz XSAKHJBGKMFVQC-STQMWFEESA-N 2 0 338.456 -0.223 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)N(C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001367547832 1133623884 /nfs/dbraw/zinc/62/38/84/1133623884.db2.gz OZGDOFYAJQXOEV-CHWSQXEVSA-N 2 0 343.472 -0.193 20 0 EBADRP CCC(C)(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001367576259 1133643325 /nfs/dbraw/zinc/64/33/25/1133643325.db2.gz GRNGCYFAFGBELY-QWHCGFSZSA-N 2 0 328.457 -0.548 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)Nc1ccccc1 ZINC001367579247 1133647007 /nfs/dbraw/zinc/64/70/07/1133647007.db2.gz KUTLTFICDUAZDG-GJZGRUSLSA-N 2 0 334.420 -0.214 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cnnn1C ZINC001367599602 1133675746 /nfs/dbraw/zinc/67/57/46/1133675746.db2.gz OKDMBJCNSBLKRC-GJZGRUSLSA-N 2 0 338.456 -0.498 20 0 EBADRP C[C@H]([NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)C(=O)N1CCCCCC1 ZINC001367602823 1133680187 /nfs/dbraw/zinc/68/01/87/1133680187.db2.gz PULWWBJMHMDSEI-GJZGRUSLSA-N 2 0 342.484 -0.204 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC1CCCC1 ZINC001367602955 1133680408 /nfs/dbraw/zinc/68/04/08/1133680408.db2.gz IWTQNQZUQFFAEY-ZIAGYGMSSA-N 2 0 326.441 -0.794 20 0 EBADRP C[C@H]([NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1)C(=O)NC(C)(C)C ZINC001367623395 1133709304 /nfs/dbraw/zinc/70/93/04/1133709304.db2.gz KRWAZVXNIOKNHV-STQMWFEESA-N 2 0 328.457 -0.548 20 0 EBADRP CC1CCN(C(=O)C[NH2+]C[C@H](O)CNC(=O)C[NH+]2CCCC2)CC1 ZINC001367629663 1133719476 /nfs/dbraw/zinc/71/94/76/1133719476.db2.gz XZBAHVJUTRVXEB-HNNXBMFYSA-N 2 0 340.468 -0.593 20 0 EBADRP C[C@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367708615 1133755147 /nfs/dbraw/zinc/75/51/47/1133755147.db2.gz YNENPBBKIYLIKV-KFWWJZLASA-N 2 0 340.468 -0.594 20 0 EBADRP C[C@H](C[NH2+][C@H](C)C(=O)NC(=O)NC1CC1)NC(=O)C[NH+]1CCCC1 ZINC001367713861 1133756776 /nfs/dbraw/zinc/75/67/76/1133756776.db2.gz WYPRIMOQYUIKBR-VXGBXAGGSA-N 2 0 339.440 -0.447 20 0 EBADRP C[C@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)CC[NH+]1CCCCC1 ZINC001367714565 1133757256 /nfs/dbraw/zinc/75/72/56/1133757256.db2.gz KHOFFKFOEJVFFN-OAHLLOKOSA-N 2 0 340.468 -0.185 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001367921432 1133841193 /nfs/dbraw/zinc/84/11/93/1133841193.db2.gz GDXPSSKFXKMGLB-CYBMUJFWSA-N 2 0 339.440 -0.588 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=O)NC[C@H]2CCOC2)CC1 ZINC001367991418 1133883371 /nfs/dbraw/zinc/88/33/71/1133883371.db2.gz MWFBVLUOBLHKIM-KGLIPLIRSA-N 2 0 338.452 -0.528 20 0 EBADRP CC[C@@H](C(=O)NCC1([NH2+]C[C@@H]2CCS(=O)(=O)C2)CC1)[NH+](C)C ZINC001368018943 1133899432 /nfs/dbraw/zinc/89/94/32/1133899432.db2.gz KJDOCWKIVGZKKI-STQMWFEESA-N 2 0 331.482 0.000 20 0 EBADRP COCC[N@H+](CC(N)=O)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001368053563 1133913984 /nfs/dbraw/zinc/91/39/84/1133913984.db2.gz PAPGWULMEJXTFL-UHFFFAOYSA-N 2 0 328.457 -0.249 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]Cc2nc(=O)n(C)[nH]2)C1)[NH+](C)C ZINC001368194247 1133986792 /nfs/dbraw/zinc/98/67/92/1133986792.db2.gz HUNOOPDXFBISSI-BLLLJJGKSA-N 2 0 338.456 -0.223 20 0 EBADRP CC[C@H](C(=O)NCC1([NH2+]Cc2cnnn2C)CCOCC1)[NH+](C)C ZINC001368239176 1134008138 /nfs/dbraw/zinc/00/81/38/1134008138.db2.gz ZJFGRTLVWSVGFX-CQSZACIVSA-N 2 0 338.456 -0.090 20 0 EBADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001368263117 1134057767 /nfs/dbraw/zinc/05/77/67/1134057767.db2.gz QJDFNDMXXXFHRB-XJKSGUPXSA-N 2 0 338.452 -0.568 20 0 EBADRP C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001368341677 1134155886 /nfs/dbraw/zinc/15/58/86/1134155886.db2.gz QYBIBARHKDDNIF-NEPJUHHUSA-N 2 0 339.440 -0.508 20 0 EBADRP CNC(=O)C[NH2+]C1CCN(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001368360918 1134164802 /nfs/dbraw/zinc/16/48/02/1134164802.db2.gz LORHLXKHWAHXHB-MRXNPFEDSA-N 2 0 341.500 -0.511 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001368360633 1134165070 /nfs/dbraw/zinc/16/50/70/1134165070.db2.gz JIWKGZSIKSFVOP-DZGCQCFKSA-N 2 0 339.484 -0.615 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCN1CCC([NH2+]CC(=O)N(C)C)CC1 ZINC001368364275 1134168103 /nfs/dbraw/zinc/16/81/03/1134168103.db2.gz MDHJQWKSZPABOH-UHFFFAOYSA-N 2 0 341.500 -0.415 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+][C@H]1CCCNC1=O ZINC001368393291 1134196143 /nfs/dbraw/zinc/19/61/43/1134196143.db2.gz CUNAHDDPJWCAKB-GJZGRUSLSA-N 2 0 340.468 -0.450 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N(CCO)CC[NH2+][C@@H]2CCCNC2=O)CC[N@@H+]1C ZINC001368395929 1134199162 /nfs/dbraw/zinc/19/91/62/1134199162.db2.gz SYSFLOCDAGJMTC-RRFJBIMHSA-N 2 0 340.468 -0.594 20 0 EBADRP CC(C)N(C)C(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001368402170 1134207141 /nfs/dbraw/zinc/20/71/41/1134207141.db2.gz XBFFKGMCOGVKSY-LSDHHAIUSA-N 2 0 342.484 -0.254 20 0 EBADRP C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001368414721 1134213583 /nfs/dbraw/zinc/21/35/83/1134213583.db2.gz HAVSTRKGKIWULS-QWHCGFSZSA-N 2 0 341.456 -0.260 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCC1 ZINC001368475221 1134246535 /nfs/dbraw/zinc/24/65/35/1134246535.db2.gz TZDCZCSHEXEVTJ-GFCCVEGCSA-N 2 0 339.440 -0.316 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]C2(CNC(=O)CC[NH+](C)C)CCC2)CCO1 ZINC001368481964 1134248524 /nfs/dbraw/zinc/24/85/24/1134248524.db2.gz AUEMODKZVICOJN-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001368499156 1134253811 /nfs/dbraw/zinc/25/38/11/1134253811.db2.gz QHRGQDYRUAVZKR-GRYCIOLGSA-N 2 0 325.413 -0.979 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001368538568 1134282455 /nfs/dbraw/zinc/28/24/55/1134282455.db2.gz ZTJUQWGYPWTEDI-SDDRHHMPSA-N 2 0 327.429 -0.606 20 0 EBADRP CCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001368615416 1134326799 /nfs/dbraw/zinc/32/67/99/1134326799.db2.gz OWUYGDDRKKPUJC-DOTOQJQBSA-N 2 0 342.484 -0.348 20 0 EBADRP CCNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001368629282 1134342067 /nfs/dbraw/zinc/34/20/67/1134342067.db2.gz KYYDESBZJCFTRT-CJNGLKHVSA-N 2 0 328.457 -0.594 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC001368656587 1134359354 /nfs/dbraw/zinc/35/93/54/1134359354.db2.gz DWQSHCBBFOWBIY-GXTWGEPZSA-N 2 0 336.440 -0.759 20 0 EBADRP C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001368673826 1134371258 /nfs/dbraw/zinc/37/12/58/1134371258.db2.gz NQMQGPMKWUCSEE-AGIUHOORSA-N 2 0 339.440 -0.650 20 0 EBADRP C[C@@H]([NH2+]CC1(O)CCN(C(=O)C23CCC[NH+]2CCC3)CC1)C(N)=O ZINC001368681343 1134379604 /nfs/dbraw/zinc/37/96/04/1134379604.db2.gz BHKGBTFXORGAQO-CYBMUJFWSA-N 2 0 338.452 -0.568 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001368745143 1134416234 /nfs/dbraw/zinc/41/62/34/1134416234.db2.gz UFEPRJORCISNIB-OLZOCXBDSA-N 2 0 339.440 -0.364 20 0 EBADRP COC[C@H](O)C[NH+]1CCC(CO)(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001368768788 1134430469 /nfs/dbraw/zinc/43/04/69/1134430469.db2.gz MJCYIYKEBISUMN-CABCVRRESA-N 2 0 343.468 -0.579 20 0 EBADRP C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001368848629 1134464244 /nfs/dbraw/zinc/46/42/44/1134464244.db2.gz MFAWDCUIVRJVNN-RYUDHWBXSA-N 2 0 339.440 -0.460 20 0 EBADRP C[C@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001368889187 1134476075 /nfs/dbraw/zinc/47/60/75/1134476075.db2.gz NVUZMVUKJFAMNM-STQMWFEESA-N 2 0 328.457 -0.332 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001368895085 1134477914 /nfs/dbraw/zinc/47/79/14/1134477914.db2.gz PQYZONWOOJTBPL-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP CN(CC(C)(C)C[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001368902523 1134479897 /nfs/dbraw/zinc/47/98/97/1134479897.db2.gz JVPWCOXUVVTJRZ-GFCCVEGCSA-N 2 0 338.456 -0.223 20 0 EBADRP COC[C@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001369128177 1134578977 /nfs/dbraw/zinc/57/89/77/1134578977.db2.gz AUCDJKVJWZEYQE-SUJAAXHWSA-N 2 0 325.453 -0.228 20 0 EBADRP C[C@H]([NH2+]CC(=O)NC1CC1)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001369149409 1134593832 /nfs/dbraw/zinc/59/38/32/1134593832.db2.gz LBTBAKJODSGFFN-GXTWGEPZSA-N 2 0 326.441 -0.578 20 0 EBADRP C[C@@H]([NH2+]CC(=O)NC1CC1)[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001369160326 1134600249 /nfs/dbraw/zinc/60/02/49/1134600249.db2.gz ZJRTWHLIRLYSDG-UKRRQHHQSA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H](C[NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001369177121 1134607833 /nfs/dbraw/zinc/60/78/33/1134607833.db2.gz MEGSBCZHTMAERY-XYPYZODXSA-N 2 0 325.413 -0.993 20 0 EBADRP C[C@@H]([NH2+]C[C@@H]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1)C(N)=O ZINC001369180403 1134608538 /nfs/dbraw/zinc/60/85/38/1134608538.db2.gz OLEGIOQBWWJVCW-CRWXNKLISA-N 2 0 326.441 -0.687 20 0 EBADRP C[C@H]([NH2+][C@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2)C(=O)N(C)C ZINC001369330013 1134672798 /nfs/dbraw/zinc/67/27/98/1134672798.db2.gz MWKSJIUIFGZHIS-KBPBESRZSA-N 2 0 340.468 -0.594 20 0 EBADRP CN1CCC[C@@H]([NH2+][C@@H](CO)CNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001369360537 1134712227 /nfs/dbraw/zinc/71/22/27/1134712227.db2.gz HBXVEYFJZVQTJV-HUUCEWRRSA-N 2 0 340.468 -0.594 20 0 EBADRP CC(C)N1CC[C@@H]([NH2+][C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001369384928 1134746594 /nfs/dbraw/zinc/74/65/94/1134746594.db2.gz UMYKPKLOKCCNTQ-UONOGXRCSA-N 2 0 338.452 -0.842 20 0 EBADRP CC(C)N1CC[C@H]([NH2+][C@@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001369384922 1134746604 /nfs/dbraw/zinc/74/66/04/1134746604.db2.gz UMYKPKLOKCCNTQ-KGLIPLIRSA-N 2 0 338.452 -0.842 20 0 EBADRP Cc1cc(C)n(CC[NH2+][C@H](CO)CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001369387262 1134749828 /nfs/dbraw/zinc/74/98/28/1134749828.db2.gz ZHDYWKABNJIBBD-CVEARBPZSA-N 2 0 337.468 -0.092 20 0 EBADRP C[C@@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001369397769 1134757979 /nfs/dbraw/zinc/75/79/79/1134757979.db2.gz HMOQEDPETYUYLK-OLZOCXBDSA-N 2 0 339.440 -0.508 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001369480527 1134846423 /nfs/dbraw/zinc/84/64/23/1134846423.db2.gz OGTLJJJGYZXPBI-UONOGXRCSA-N 2 0 328.457 -0.785 20 0 EBADRP C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)c1cccc(C[NH+](C)C)c1)C(N)=O ZINC001369490274 1134864688 /nfs/dbraw/zinc/86/46/88/1134864688.db2.gz OTLNDJZZDILRKU-WFASDCNBSA-N 2 0 336.436 -0.356 20 0 EBADRP CN(C[C@H](O)C[N@H+](C)CCc1ccnn1C)C(=O)[C@H]1CCC[NH+]1C ZINC001369501025 1134886033 /nfs/dbraw/zinc/88/60/33/1134886033.db2.gz GYMANMLZPGGKPD-HZPDHXFCSA-N 2 0 337.468 -0.192 20 0 EBADRP CC(C)(C)[C@H](C[NH2+]CC(N)=O)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001369549226 1134931412 /nfs/dbraw/zinc/93/14/12/1134931412.db2.gz SGOLCHBWPREJPT-ZDUSSCGKSA-N 2 0 342.484 -0.049 20 0 EBADRP CC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]CC(=O)N2CCOCC2)C1 ZINC001369580071 1134947476 /nfs/dbraw/zinc/94/74/76/1134947476.db2.gz VKYCJSDRRWMXJD-UHFFFAOYSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C2)CC1 ZINC001370014307 1135174434 /nfs/dbraw/zinc/17/44/34/1135174434.db2.gz HBMLVIFFKJSJCC-GJZGRUSLSA-N 2 0 335.452 -0.224 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001370175117 1135236352 /nfs/dbraw/zinc/23/63/52/1135236352.db2.gz KDXDUGNJBXKZRY-QWHCGFSZSA-N 2 0 339.440 -0.462 20 0 EBADRP CNC(=O)C[N@H+](C)C[C@H]1CCCN(C(=O)CCN2CCOCC2)C1 ZINC001370320206 1135301863 /nfs/dbraw/zinc/30/18/63/1135301863.db2.gz KGRJNFCTFPAMNR-OAHLLOKOSA-N 2 0 340.468 -0.375 20 0 EBADRP O=C(Cc1c[nH]cn1)NC[C@@H]([NH2+]CC(=O)N1CCOCC1)C1CC1 ZINC001370330650 1135307258 /nfs/dbraw/zinc/30/72/58/1135307258.db2.gz MKBZIBWJIIHERR-CQSZACIVSA-N 2 0 335.408 -0.705 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001370480108 1135367991 /nfs/dbraw/zinc/36/79/91/1135367991.db2.gz OJFUYEBDUXNRAP-IJLUTSLNSA-N 2 0 345.419 -0.641 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@H](CO)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001370705613 1135524631 /nfs/dbraw/zinc/52/46/31/1135524631.db2.gz POHSSVMYEQSUNY-CQSZACIVSA-N 2 0 347.419 -0.117 20 0 EBADRP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1)[NH+](C)C ZINC001370709841 1135530612 /nfs/dbraw/zinc/53/06/12/1135530612.db2.gz FKVOVSPLRBOTLY-HZSPNIEDSA-N 2 0 325.457 -0.165 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)N[C@H](CO)CNC(=O)CC[NH+](C)C)CC1 ZINC001370783940 1135629401 /nfs/dbraw/zinc/62/94/01/1135629401.db2.gz AIQDXGURWITZIO-HNNXBMFYSA-N 2 0 342.484 -0.348 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H](CO)NC(=O)[C@H]1CCCc2nc[nH]c21 ZINC001370790015 1135634461 /nfs/dbraw/zinc/63/44/61/1135634461.db2.gz OFRRCHADZXCFKS-NEPJUHHUSA-N 2 0 337.424 -0.625 20 0 EBADRP CN(C[C@@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)C[NH+]1CCCC1 ZINC001371002835 1135759826 /nfs/dbraw/zinc/75/98/26/1135759826.db2.gz AICNJTZMHPRHSA-GJZGRUSLSA-N 2 0 340.468 -0.641 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1)[NH+](C)C ZINC001371009084 1135768684 /nfs/dbraw/zinc/76/86/84/1135768684.db2.gz JLXLMDLJPQCPMW-GDBMZVCRSA-N 2 0 342.484 -0.396 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001371016236 1135779038 /nfs/dbraw/zinc/77/90/38/1135779038.db2.gz MGBZZOLUDTVYGQ-HNNXBMFYSA-N 2 0 342.484 -0.395 20 0 EBADRP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC(=O)N1CCOCC1 ZINC001371180996 1135857804 /nfs/dbraw/zinc/85/78/04/1135857804.db2.gz VGXFBBMZBMRYEP-DZGCQCFKSA-N 2 0 338.452 -0.719 20 0 EBADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]C[C@H](O)CN1CCCC1=O ZINC001371205437 1135864317 /nfs/dbraw/zinc/86/43/17/1135864317.db2.gz SXDWBOJECAKAKJ-KGLIPLIRSA-N 2 0 340.468 -0.452 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1)[NH+](C)C ZINC001371453035 1135915519 /nfs/dbraw/zinc/91/55/19/1135915519.db2.gz ATUVWQNCJCQUHF-HZSPNIEDSA-N 2 0 328.457 -0.644 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)s1 ZINC001371472731 1135930046 /nfs/dbraw/zinc/93/00/46/1135930046.db2.gz MUVSTOXLFRWXDT-MWLCHTKSSA-N 2 0 340.453 -0.169 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]CCN1CCCS1(=O)=O ZINC001371477743 1135932286 /nfs/dbraw/zinc/93/22/86/1135932286.db2.gz YZQYIUINYQCOLB-ZDUSSCGKSA-N 2 0 334.486 -0.544 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001371513628 1135942606 /nfs/dbraw/zinc/94/26/06/1135942606.db2.gz VPWXYIUYFFPSGL-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001371514841 1135943371 /nfs/dbraw/zinc/94/33/71/1135943371.db2.gz OPWIIIXONHQWQL-GJZGRUSLSA-N 2 0 343.468 -0.457 20 0 EBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001371544478 1135965346 /nfs/dbraw/zinc/96/53/46/1135965346.db2.gz QHXDZRXVFKVHIS-KGLIPLIRSA-N 2 0 326.441 -0.719 20 0 EBADRP CO[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001371565488 1135971660 /nfs/dbraw/zinc/97/16/60/1135971660.db2.gz XJEDIKKTYVZTOT-HUUCEWRRSA-N 2 0 340.468 -0.236 20 0 EBADRP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001371882874 1136047646 /nfs/dbraw/zinc/04/76/46/1136047646.db2.gz RYRYXSLFHIKIJO-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001371886128 1136047915 /nfs/dbraw/zinc/04/79/15/1136047915.db2.gz IFLQUKPBSFJRTF-CHWSQXEVSA-N 2 0 338.456 -0.033 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001371886133 1136047981 /nfs/dbraw/zinc/04/79/81/1136047981.db2.gz IFLQUKPBSFJRTF-STQMWFEESA-N 2 0 338.456 -0.033 20 0 EBADRP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C[C@@H](O)COCC(F)(F)F ZINC001372220820 1136143741 /nfs/dbraw/zinc/14/37/41/1136143741.db2.gz PDALNONDMUYPPM-NWDGAFQWSA-N 2 0 341.374 -0.074 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001372941001 1136332482 /nfs/dbraw/zinc/33/24/82/1136332482.db2.gz MWGDAHNGUQIVKU-DGCLKSJQSA-N 2 0 339.440 -0.780 20 0 EBADRP CN(CC[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)C(=O)CC[NH+](C)C ZINC001372945006 1136333812 /nfs/dbraw/zinc/33/38/12/1136333812.db2.gz JNKLVDBMRYCWPE-ZDUSSCGKSA-N 2 0 336.440 -0.475 20 0 EBADRP C[N@H+](CC(=O)NCC[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1)C1CCC1 ZINC001373193539 1136395339 /nfs/dbraw/zinc/39/53/39/1136395339.db2.gz KHJOYDSLINUZGW-GFCCVEGCSA-N 2 0 339.440 -0.506 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001373288808 1136420334 /nfs/dbraw/zinc/42/03/34/1136420334.db2.gz LCIJKVUWZSIUOB-QWHCGFSZSA-N 2 0 341.456 -0.438 20 0 EBADRP C[N@@H+](CC(=O)NC(N)=O)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001373295534 1136422142 /nfs/dbraw/zinc/42/21/42/1136422142.db2.gz VNHDQOYRIXALHF-VXGBXAGGSA-N 2 0 325.413 -0.944 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1C[NH+](CCn2cncn2)C1 ZINC001373557631 1136495642 /nfs/dbraw/zinc/49/56/42/1136495642.db2.gz HZGCHOQVMHWGHT-CQSZACIVSA-N 2 0 336.440 -0.706 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001373887658 1136580698 /nfs/dbraw/zinc/58/06/98/1136580698.db2.gz SCWRPLOGMIKSTQ-LRDDRELGSA-N 2 0 339.440 -0.460 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001373971174 1136595949 /nfs/dbraw/zinc/59/59/49/1136595949.db2.gz WNGGOSIWWHEPSP-VXGBXAGGSA-N 2 0 327.429 -0.508 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]CC(=O)N1CCOCC1 ZINC001374088173 1136620266 /nfs/dbraw/zinc/62/02/66/1136620266.db2.gz TZQISPFSZHUQHD-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]CC(=O)N1CCOCC1 ZINC001374088172 1136620404 /nfs/dbraw/zinc/62/04/04/1136620404.db2.gz TZQISPFSZHUQHD-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]CC(=O)N1CCOCC1 ZINC001374088171 1136620472 /nfs/dbraw/zinc/62/04/72/1136620472.db2.gz TZQISPFSZHUQHD-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)C[NH2+]CC(=O)NC(N)=O ZINC001374089150 1136620478 /nfs/dbraw/zinc/62/04/78/1136620478.db2.gz CRLFLFAIOPHISW-GFCCVEGCSA-N 2 0 327.429 -0.745 20 0 EBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)NCC(F)(F)F ZINC001374108913 1136623934 /nfs/dbraw/zinc/62/39/34/1136623934.db2.gz MVEOLKPWKPBCMN-GHMZBOCLSA-N 2 0 338.374 -0.042 20 0 EBADRP C[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)C[NH2+]Cc1cnon1 ZINC001374109965 1136624152 /nfs/dbraw/zinc/62/41/52/1136624152.db2.gz QUHYCKAVOWDONT-STQMWFEESA-N 2 0 325.413 -0.120 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001374231486 1136653735 /nfs/dbraw/zinc/65/37/35/1136653735.db2.gz FJBCNGBSZFBJTO-VXGBXAGGSA-N 2 0 341.456 -0.249 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001374275663 1136663888 /nfs/dbraw/zinc/66/38/88/1136663888.db2.gz JIVJFHOPEYLDLY-NWDGAFQWSA-N 2 0 341.456 -0.391 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001374323546 1136673725 /nfs/dbraw/zinc/67/37/25/1136673725.db2.gz CPJBRJUYZCGBQM-VXGBXAGGSA-N 2 0 327.429 -0.637 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC[C@H]1CCOC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001374323455 1136673680 /nfs/dbraw/zinc/67/36/80/1136673680.db2.gz BQOCPLDFHYMBLL-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001374369073 1136678942 /nfs/dbraw/zinc/67/89/42/1136678942.db2.gz UIILBACJJDFPFY-STQMWFEESA-N 2 0 338.456 -0.319 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)[C@@H](C)C1 ZINC001374381631 1136680557 /nfs/dbraw/zinc/68/05/57/1136680557.db2.gz GEXADGRESGFAJU-QWHCGFSZSA-N 2 0 338.456 -0.225 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1 ZINC001374381618 1136680782 /nfs/dbraw/zinc/68/07/82/1136680782.db2.gz GEXADGRESGFAJU-CHWSQXEVSA-N 2 0 338.456 -0.225 20 0 EBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CCN1CCNC1=O ZINC001374388107 1136681420 /nfs/dbraw/zinc/68/14/20/1136681420.db2.gz SXNOCKKNLCHUMN-KBPBESRZSA-N 2 0 325.457 -0.210 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCNS(C)(=O)=O)C1 ZINC001374560699 1136719261 /nfs/dbraw/zinc/71/92/61/1136719261.db2.gz DUNGHRGOYKNDAL-KBPBESRZSA-N 2 0 346.497 -0.590 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC(N)=O)n1 ZINC001374568855 1136722570 /nfs/dbraw/zinc/72/25/70/1136722570.db2.gz HKMLCXGISAJULQ-CHWSQXEVSA-N 2 0 336.440 -0.582 20 0 EBADRP Cn1cc(C[NH2+]C[C@@H](O)CNC(=O)C23CCC[NH+](CCC2)C3)cn1 ZINC001374615059 1136748621 /nfs/dbraw/zinc/74/86/21/1136748621.db2.gz LIIXINZEAAVFGG-OAHLLOKOSA-N 2 0 335.452 -0.137 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCCC2)C1 ZINC001374649973 1136774598 /nfs/dbraw/zinc/77/45/98/1136774598.db2.gz FABNXDNPYJVYRG-KGLIPLIRSA-N 2 0 326.441 -0.983 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]Cc1nccn1C(F)F ZINC001374684281 1136800428 /nfs/dbraw/zinc/80/04/28/1136800428.db2.gz LGQDOWXKLVWHLM-NSHDSACASA-N 2 0 331.367 -0.059 20 0 EBADRP CN(C)c1cc(C[NH2+]C[C@H](O)CNC(=O)C[NH+]2CCCC2)ccn1 ZINC001374686613 1136802246 /nfs/dbraw/zinc/80/22/46/1136802246.db2.gz WFSWLIZBWDPZFN-HNNXBMFYSA-N 2 0 335.452 -0.190 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cccc3c2OCCO3)C1 ZINC001374687161 1136803069 /nfs/dbraw/zinc/80/30/69/1136803069.db2.gz ZJISQFBUYOALQF-HUUCEWRRSA-N 2 0 349.431 -0.024 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001374749453 1136821773 /nfs/dbraw/zinc/82/17/73/1136821773.db2.gz JZQBCSTUUIDQOB-UHFFFAOYSA-N 2 0 340.468 -0.234 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001374808797 1136838536 /nfs/dbraw/zinc/83/85/36/1136838536.db2.gz YVRQJHJQPZKICH-VOAKCMCISA-N 2 0 341.456 -0.345 20 0 EBADRP Cn1cc(NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)nn1 ZINC000339880108 282084394 /nfs/dbraw/zinc/08/43/94/282084394.db2.gz NZZBGCIGVPYJLP-UHFFFAOYSA-N 2 0 339.444 -0.514 20 0 EBADRP COC(=O)CN(C)C(=O)CC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000341119274 291062884 /nfs/dbraw/zinc/06/28/84/291062884.db2.gz BKJSMMCGRYUSOF-UHFFFAOYSA-N 2 0 342.484 -0.034 20 0 EBADRP COC(=O)CC[C@H]([NH3+])C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000343429605 283812921 /nfs/dbraw/zinc/81/29/21/283812921.db2.gz CMSBWKZHQRCLQR-AWEZNQCLSA-N 2 0 349.435 -0.270 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CCO1 ZINC000642762391 376086525 /nfs/dbraw/zinc/08/65/25/376086525.db2.gz OJVFWKBZTNYYNR-AVGNSLFASA-N 2 0 328.457 -0.347 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cn1 ZINC000118883688 376116804 /nfs/dbraw/zinc/11/68/04/376116804.db2.gz ZYDHDUHQFIHJRE-ZDUSSCGKSA-N 2 0 336.440 -0.207 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)COC1CC[NH2+]CC1 ZINC000584050039 376061954 /nfs/dbraw/zinc/06/19/54/376061954.db2.gz GIXIYLPRDJFSMV-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642758096 376082308 /nfs/dbraw/zinc/08/23/08/376082308.db2.gz AMDWIFXSPYNPPA-RBSFLKMASA-N 2 0 338.452 -0.576 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000642758112 376082669 /nfs/dbraw/zinc/08/26/69/376082669.db2.gz INDLQXKOGDCAOA-LSDHHAIUSA-N 2 0 340.468 -0.330 20 0 EBADRP COC[C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000556795363 376141546 /nfs/dbraw/zinc/14/15/46/376141546.db2.gz IKJVVZRJCALCHM-HNNXBMFYSA-N 2 0 342.484 -0.177 20 0 EBADRP CN1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000642789083 376153759 /nfs/dbraw/zinc/15/37/59/376153759.db2.gz PITWGYLWCJCAJG-ZFWWWQNUSA-N 2 0 332.404 -0.525 20 0 EBADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(=O)NC1C[NH2+]C1 ZINC000557262455 376167638 /nfs/dbraw/zinc/16/76/38/376167638.db2.gz KIDIEARNEFXALV-INIZCTEOSA-N 2 0 346.431 -0.518 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000557300189 376170019 /nfs/dbraw/zinc/17/00/19/376170019.db2.gz KLNVHHCBYSAMTE-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000557614061 376186686 /nfs/dbraw/zinc/18/66/86/376186686.db2.gz JTYWLCIFSOYJAY-LSDHHAIUSA-N 2 0 338.452 -0.623 20 0 EBADRP C[C@@H](O)[C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000584218027 376220184 /nfs/dbraw/zinc/22/01/84/376220184.db2.gz UOSTUFOVACXCBO-CABCVRRESA-N 2 0 342.484 -0.442 20 0 EBADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]CCC(=O)NC(N)=O)CC1 ZINC000584227034 376220468 /nfs/dbraw/zinc/22/04/68/376220468.db2.gz BPNMLPNEELBPHI-UHFFFAOYSA-N 2 0 341.456 -0.212 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CCO1 ZINC000642879142 376439288 /nfs/dbraw/zinc/43/92/88/376439288.db2.gz RSWSQVRNRHGHMI-UONOGXRCSA-N 2 0 340.468 -0.058 20 0 EBADRP C[N@H+](CCCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)C1CCCCC1 ZINC000627357716 376663779 /nfs/dbraw/zinc/66/37/79/376663779.db2.gz NWULJQKHHOPDPZ-AWEZNQCLSA-N 2 0 340.468 -0.138 20 0 EBADRP CCOC(=O)[C@H]1C[N@H+](C[C@H](O)CN(C)CCOC)CC12COC2 ZINC000583389648 376765509 /nfs/dbraw/zinc/76/55/09/376765509.db2.gz SWJDEFYNZFPKDB-ZIAGYGMSSA-N 2 0 330.425 -0.563 20 0 EBADRP CO[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC[C@@H]1C ZINC000560637384 376754278 /nfs/dbraw/zinc/75/42/78/376754278.db2.gz AHZDJJMFZSQJGG-LSDHHAIUSA-N 2 0 342.484 -0.178 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919794 376754431 /nfs/dbraw/zinc/75/44/31/376754431.db2.gz GSFWLJOBDVVBAG-AWEZNQCLSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)CN3CCOCC3)cn2)CC1 ZINC000560872329 376782624 /nfs/dbraw/zinc/78/26/24/376782624.db2.gz RYYDLXGAIVXGGN-QGZVFWFLSA-N 2 0 349.479 -0.384 20 0 EBADRP CN1CC[C@@H](NC(=O)C(=O)NC2C[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000561226962 376819323 /nfs/dbraw/zinc/81/93/23/376819323.db2.gz KOAYJFANUMUXFO-KGLIPLIRSA-N 2 0 338.358 -0.086 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000561249407 376822155 /nfs/dbraw/zinc/82/21/55/376822155.db2.gz UTTFTGNWZOIHLS-KRWDZBQOSA-N 2 0 340.468 -0.327 20 0 EBADRP O=C(N1CCN([C@@H]2CC[NH2+]C2)CC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000564729496 376914480 /nfs/dbraw/zinc/91/44/80/376914480.db2.gz IOJFAOGXOJGTPO-OAHLLOKOSA-N 2 0 332.452 -0.532 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627361428 376932359 /nfs/dbraw/zinc/93/23/59/376932359.db2.gz NZMGZMQPJDNVIE-ZDUSSCGKSA-N 2 0 326.441 -0.528 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@](C)(O)C1 ZINC000562692459 376983417 /nfs/dbraw/zinc/98/34/17/376983417.db2.gz ODGSSHYABOLCKW-INIZCTEOSA-N 2 0 328.457 -0.688 20 0 EBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000562961591 377066954 /nfs/dbraw/zinc/06/69/54/377066954.db2.gz CTCBUJJDQBBXLA-LSDHHAIUSA-N 2 0 339.484 -0.580 20 0 EBADRP COCC[N@H+](C)C[C@@H](O)CN1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000569891104 377181842 /nfs/dbraw/zinc/18/18/42/377181842.db2.gz PHOONYLBMFAVSG-CVEARBPZSA-N 2 0 342.484 -0.836 20 0 EBADRP COC(=O)CCNC(=O)CN1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000570213865 377217556 /nfs/dbraw/zinc/21/75/56/377217556.db2.gz ZJKZWEMRMPZTGZ-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H](C(=O)NC[C@@H]1CN(C(=O)[C@@H](C)[NH+](C)C)CCN1C)[NH+](C)C ZINC000636113262 377234449 /nfs/dbraw/zinc/23/44/49/377234449.db2.gz SLYDINRZRVVJFF-MGPQQGTHSA-N 2 0 327.473 -0.855 20 0 EBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)NCc3ccc4c[nH+]cn4c3)CCN2C1=O ZINC000570409682 377243347 /nfs/dbraw/zinc/24/33/47/377243347.db2.gz BBPUFCLYYXLVJY-KBPBESRZSA-N 2 0 328.376 -0.212 20 0 EBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000570618919 377260745 /nfs/dbraw/zinc/26/07/45/377260745.db2.gz BVCRJKFILKOMME-LSDHHAIUSA-N 2 0 339.484 -0.532 20 0 EBADRP CC[NH+](CC)CCN(C(=O)C[C@@H](C[NH3+])OC)[C@H]1CCS(=O)(=O)C1 ZINC000570928392 377304032 /nfs/dbraw/zinc/30/40/32/377304032.db2.gz JVARHBTWRMTOKW-KBPBESRZSA-N 2 0 349.497 -0.292 20 0 EBADRP CN(C)C(=O)CC[NH+]1CCC(NC[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000567726482 377428445 /nfs/dbraw/zinc/42/84/45/377428445.db2.gz GOHPXSLGWXPSPH-MRXNPFEDSA-N 2 0 326.485 -0.026 20 0 EBADRP COCC[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000601282001 377505964 /nfs/dbraw/zinc/50/59/64/377505964.db2.gz POIOKRLXBAFGMS-HNNXBMFYSA-N 2 0 327.473 -0.358 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CCSC1 ZINC000627371245 377475579 /nfs/dbraw/zinc/47/55/79/377475579.db2.gz YYCJTWJDCZRSGS-SWLSCSKDSA-N 2 0 340.493 -0.059 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCSC1 ZINC000627371244 377476351 /nfs/dbraw/zinc/47/63/51/377476351.db2.gz YYCJTWJDCZRSGS-IUODEOHRSA-N 2 0 340.493 -0.059 20 0 EBADRP [NH3+][C@@H]1CCCN(C(=O)C[C@@]2(C(=O)N3CCC[C@@H]([NH3+])C3)CC[NH2+]C2)C1 ZINC000364571615 377626749 /nfs/dbraw/zinc/62/67/49/377626749.db2.gz CBPMSGNFZUUNJW-CPUCHLNUSA-N 3 0 337.468 -0.744 20 0 EBADRP COC(=O)CCN1CC[C@@H]([N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1=O ZINC000595895605 378033556 /nfs/dbraw/zinc/03/35/56/378033556.db2.gz QANBCJUFRVKVDA-ZIAGYGMSSA-N 2 0 339.436 -0.162 20 0 EBADRP CC1(O)CCN(c2cc(N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)ncn2)CC1 ZINC000601983193 378330013 /nfs/dbraw/zinc/33/00/13/378330013.db2.gz LMFGJGUQRLPGDU-STQMWFEESA-N 2 0 346.435 -0.424 20 0 EBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NCC[NH+]3CC[C@H](O)C3)C2)CC1 ZINC000636792002 378397388 /nfs/dbraw/zinc/39/73/88/378397388.db2.gz NSPOZJAOHVASPV-HOCLYGCPSA-N 2 0 339.484 -0.479 20 0 EBADRP C[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[C@@H]1CN(C)CCO1 ZINC000636949485 378438154 /nfs/dbraw/zinc/43/81/54/378438154.db2.gz HSDIEVVUXBUUQS-RDBSUJKOSA-N 2 0 341.456 -0.656 20 0 EBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C[N@H+](C)C(C)C ZINC000337075162 378605203 /nfs/dbraw/zinc/60/52/03/378605203.db2.gz RGLRJYIVPSSYGY-UHFFFAOYSA-N 2 0 328.457 -0.424 20 0 EBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000337619602 378668531 /nfs/dbraw/zinc/66/85/31/378668531.db2.gz AYNOTNMUSUWZJO-CJNGLKHVSA-N 2 0 343.472 -0.814 20 0 EBADRP COC(=O)CCN1CC[N@H+](CCC(=O)N2CCN(C)CC2)[C@@H](C)C1 ZINC000338299811 378756857 /nfs/dbraw/zinc/75/68/57/378756857.db2.gz GJXVRUBMZIRLPZ-HNNXBMFYSA-N 2 0 340.468 -0.280 20 0 EBADRP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCCCN2CCOCC2)CC[N@@H+]1C ZINC000339496730 378930881 /nfs/dbraw/zinc/93/08/81/378930881.db2.gz USIKOUWGUKSMAX-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000339636656 378963670 /nfs/dbraw/zinc/96/36/70/378963670.db2.gz QFKNKFCTQMCODI-UHFFFAOYSA-N 2 0 328.457 -0.330 20 0 EBADRP COC(=O)CC[N@H+](CCC(=O)N1CC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000563623879 379056991 /nfs/dbraw/zinc/05/69/91/379056991.db2.gz WWZDVANFAFRTHL-AWEZNQCLSA-N 2 0 327.425 -0.148 20 0 EBADRP C[C@@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)C[NH+]1CCCCC1 ZINC000563551732 379046470 /nfs/dbraw/zinc/04/64/70/379046470.db2.gz UMWWMPSHVXLPOZ-AWEZNQCLSA-N 2 0 325.457 -0.161 20 0 EBADRP Cc1cc(CN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)no1 ZINC000563605000 379051758 /nfs/dbraw/zinc/05/17/58/379051758.db2.gz ONKLZBGRVJZOJT-UHFFFAOYSA-N 2 0 339.440 -0.107 20 0 EBADRP CNS(=O)(=O)C[C@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000629595698 379064945 /nfs/dbraw/zinc/06/49/45/379064945.db2.gz UXUKUPWTMFRLBT-ZDUSSCGKSA-N 2 0 332.470 -0.931 20 0 EBADRP O=C(NC1C[NH2+]C1)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000563645340 379068187 /nfs/dbraw/zinc/06/81/87/379068187.db2.gz PNSYGZNESUMEHV-UHFFFAOYSA-N 2 0 338.452 -0.575 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000563633593 379060401 /nfs/dbraw/zinc/06/04/01/379060401.db2.gz RKCBCQNXAJLYQD-UHFFFAOYSA-N 3 0 341.500 -0.284 20 0 EBADRP CC(C)[C@@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)N1CC[NH+](C)CC1 ZINC000339998901 379133030 /nfs/dbraw/zinc/13/30/30/379133030.db2.gz HVSVRVSPWGDSOD-OAHLLOKOSA-N 2 0 341.500 -0.605 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000629792063 379135667 /nfs/dbraw/zinc/13/56/67/379135667.db2.gz HCUKMMJVZVSHLQ-HNNXBMFYSA-N 2 0 340.468 -0.103 20 0 EBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCOCC[NH2+]C)[C@H](C)C1 ZINC000629798165 379139919 /nfs/dbraw/zinc/13/99/19/379139919.db2.gz ISMFGUGOWQJNHN-HUUCEWRRSA-N 2 0 342.484 -0.131 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000629795621 379139943 /nfs/dbraw/zinc/13/99/43/379139943.db2.gz KGQXOSGSNHYMAP-CQSZACIVSA-N 2 0 326.441 -0.493 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000629795620 379140749 /nfs/dbraw/zinc/14/07/49/379140749.db2.gz KGQXOSGSNHYMAP-AWEZNQCLSA-N 2 0 326.441 -0.493 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000629797819 379141304 /nfs/dbraw/zinc/14/13/04/379141304.db2.gz FLUSFVSOOKRZST-UHFFFAOYSA-N 2 0 326.441 -0.493 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000629798892 379142507 /nfs/dbraw/zinc/14/25/07/379142507.db2.gz MKUHHTRNMCXRCK-KGLIPLIRSA-N 2 0 328.457 -0.521 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCOCC[NH3+])C[C@@H]1C ZINC000629799210 379142973 /nfs/dbraw/zinc/14/29/73/379142973.db2.gz PFOMVJLRPIIVGZ-KBPBESRZSA-N 2 0 328.457 -0.249 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000629802150 379143640 /nfs/dbraw/zinc/14/36/40/379143640.db2.gz RQROXYVBNJEYOJ-HNNXBMFYSA-N 2 0 340.468 -0.390 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000629797195 379145774 /nfs/dbraw/zinc/14/57/74/379145774.db2.gz WXNRDEPSYKRHAR-UHFFFAOYSA-N 2 0 328.457 -0.519 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000629803284 379148143 /nfs/dbraw/zinc/14/81/43/379148143.db2.gz MPQFVWFMFSIXTQ-KBPBESRZSA-N 2 0 326.441 -0.637 20 0 EBADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)[C@H]2C1 ZINC000629802759 379148548 /nfs/dbraw/zinc/14/85/48/379148548.db2.gz KCPCBQJZBLWADM-NONVJHHQSA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000629913359 379214053 /nfs/dbraw/zinc/21/40/53/379214053.db2.gz JCUGBEFONWPBOJ-WMZOPIPTSA-N 2 0 333.432 -0.194 20 0 EBADRP COC[C@]1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC[NH2+]C1 ZINC000571554711 379216502 /nfs/dbraw/zinc/21/65/02/379216502.db2.gz IVZZPHAAODPXRB-YOEHRIQHSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC000627301156 379220037 /nfs/dbraw/zinc/22/00/37/379220037.db2.gz WNNOGNGXIVXIIK-QLFBSQMISA-N 2 0 340.468 -0.284 20 0 EBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000627305625 379279063 /nfs/dbraw/zinc/27/90/63/379279063.db2.gz CBTQUKGZHARRHL-KFWWJZLASA-N 2 0 338.452 -0.651 20 0 EBADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627312417 379303941 /nfs/dbraw/zinc/30/39/41/379303941.db2.gz YEQFWFFXYUKMGG-UONOGXRCSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000627312002 379304313 /nfs/dbraw/zinc/30/43/13/379304313.db2.gz MOTZKWPEBAKTLN-CQSZACIVSA-N 2 0 342.484 -0.035 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000627333106 379344716 /nfs/dbraw/zinc/34/47/16/379344716.db2.gz UJHNTUFQUMCBDR-HNNXBMFYSA-N 2 0 342.484 -0.083 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000627314222 379311962 /nfs/dbraw/zinc/31/19/62/379311962.db2.gz XVIVWTYXBWCBER-ZDUSSCGKSA-N 3 0 325.457 -0.922 20 0 EBADRP CC1CC[NH+](C[C@H](O)CNC(=O)NCCOCC[NH+](C)C)CC1 ZINC000471652530 379377124 /nfs/dbraw/zinc/37/71/24/379377124.db2.gz FIBVTOUDKDKLEU-OAHLLOKOSA-N 2 0 330.473 -0.043 20 0 EBADRP CC[NH2+]Cc1cn(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)nn1 ZINC000640876767 379363333 /nfs/dbraw/zinc/36/33/33/379363333.db2.gz PCPIDUWPAJIZMY-OAHLLOKOSA-N 2 0 338.456 -0.139 20 0 EBADRP CC(C)(CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)N1CCOCC1 ZINC000621837630 379365074 /nfs/dbraw/zinc/36/50/74/379365074.db2.gz MPBQEPIORCNMNR-SUMWQHHRSA-N 2 0 338.452 -0.447 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000627349135 379410392 /nfs/dbraw/zinc/41/03/92/379410392.db2.gz CWLPWPQCVJLFRS-CHWSQXEVSA-N 2 0 326.441 -0.578 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000627388806 379578733 /nfs/dbraw/zinc/57/87/33/379578733.db2.gz HVBMPNFQBCAICS-CQSZACIVSA-N 2 0 326.441 -0.399 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000627389113 379579414 /nfs/dbraw/zinc/57/94/14/379579414.db2.gz SGKZIYGUWWDJSC-AWEZNQCLSA-N 2 0 326.441 -0.528 20 0 EBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000627411976 379584735 /nfs/dbraw/zinc/58/47/35/379584735.db2.gz ZXZGIPKHMZMNRX-AWEZNQCLSA-N 2 0 340.468 -0.057 20 0 EBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627453146 379603034 /nfs/dbraw/zinc/60/30/34/379603034.db2.gz DVWZYKZZCAHCLE-ZDUSSCGKSA-N 2 0 326.441 -0.447 20 0 EBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000627415999 379589017 /nfs/dbraw/zinc/58/90/17/379589017.db2.gz HZRVYTIGJSZFMX-UHFFFAOYSA-N 2 0 338.452 -0.303 20 0 EBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627422953 379591057 /nfs/dbraw/zinc/59/10/57/379591057.db2.gz ZJCHDFKGCVQQJL-KGLIPLIRSA-N 2 0 340.468 -0.058 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000627427349 379593008 /nfs/dbraw/zinc/59/30/08/379593008.db2.gz CILNBQIGGTYTCS-UONOGXRCSA-N 2 0 338.452 -0.386 20 0 EBADRP C[C@H](CCNC(=O)C(=O)NCC1([NH3+])CCOCC1)[NH+]1CCCCC1 ZINC000627387719 379577151 /nfs/dbraw/zinc/57/71/51/379577151.db2.gz XWIYQXJGPBKFCC-CQSZACIVSA-N 2 0 340.468 -0.009 20 0 EBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C[NH2+]1 ZINC000627480025 379629461 /nfs/dbraw/zinc/62/94/61/379629461.db2.gz KCTOQDPCYJKQGB-ZIAGYGMSSA-N 2 0 340.468 -0.188 20 0 EBADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627481938 379631293 /nfs/dbraw/zinc/63/12/93/379631293.db2.gz JZSVRWMJJDGIMP-KBPBESRZSA-N 2 0 328.457 -0.282 20 0 EBADRP C[C@H]1CC[C@H](NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C[NH2+]1 ZINC000627484088 379631775 /nfs/dbraw/zinc/63/17/75/379631775.db2.gz QPORUIGSIVRAJO-KBPBESRZSA-N 2 0 340.468 -0.452 20 0 EBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627490203 379639078 /nfs/dbraw/zinc/63/90/78/379639078.db2.gz WWOSWDFDVVRZHQ-UHFFFAOYSA-N 2 0 328.457 -0.199 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000627461494 379610496 /nfs/dbraw/zinc/61/04/96/379610496.db2.gz RFRZKSANCBTWSG-KBPBESRZSA-N 2 0 328.457 -0.282 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000627464535 379614767 /nfs/dbraw/zinc/61/47/67/379614767.db2.gz FBUADIHPRIXQBV-KBPBESRZSA-N 2 0 328.457 -0.425 20 0 EBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627475032 379624283 /nfs/dbraw/zinc/62/42/83/379624283.db2.gz DHDYQVRJYANZII-ZDUSSCGKSA-N 2 0 326.441 -0.576 20 0 EBADRP CC[NH+]1CCC(CCNC(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000642180631 379734587 /nfs/dbraw/zinc/73/45/87/379734587.db2.gz TZKJMQSAVOUPHB-ZFWWWQNUSA-N 2 0 340.468 -0.201 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000642222584 379745588 /nfs/dbraw/zinc/74/55/88/379745588.db2.gz AMKVJLDQFIGKHC-LSDHHAIUSA-N 2 0 340.468 -0.282 20 0 EBADRP [NH3+]C[C@@H]1Cc2ccccc2N(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631996350 379798819 /nfs/dbraw/zinc/79/88/19/379798819.db2.gz AOBMMMQUOJBLIA-JSGCOSHPSA-N 2 0 325.434 -0.058 20 0 EBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CCO1 ZINC000642298206 379800280 /nfs/dbraw/zinc/80/02/80/379800280.db2.gz QPABFJKIVVACBR-KGLIPLIRSA-N 2 0 326.441 -0.447 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000642256990 379757473 /nfs/dbraw/zinc/75/74/73/379757473.db2.gz CNOSZMXJAIZZTE-HOCLYGCPSA-N 2 0 348.447 -0.191 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000626963701 379766822 /nfs/dbraw/zinc/76/68/22/379766822.db2.gz AGPRPIXLTAISNG-UONOGXRCSA-N 2 0 341.456 -0.783 20 0 EBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCOCCC[NH3+])CC1 ZINC000626973889 379767754 /nfs/dbraw/zinc/76/77/54/379767754.db2.gz LIEGDDJQLWSVTK-UHFFFAOYSA-N 2 0 343.472 -0.406 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000626964517 379768633 /nfs/dbraw/zinc/76/86/33/379768633.db2.gz SQVFNAHABQMXPQ-BFHYXJOUSA-N 2 0 325.457 -0.021 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000626986958 379772803 /nfs/dbraw/zinc/77/28/03/379772803.db2.gz RWSCVWZTVWZKBE-HUUCEWRRSA-N 2 0 327.473 -0.452 20 0 EBADRP CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631922698 379778448 /nfs/dbraw/zinc/77/84/48/379778448.db2.gz CKOMZZHUIQCUJK-LSDHHAIUSA-N 2 0 348.513 -0.832 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000637820838 379868331 /nfs/dbraw/zinc/86/83/31/379868331.db2.gz JLWYWPIXIYHALP-AWEZNQCLSA-N 2 0 340.468 -0.342 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000627484559 379841677 /nfs/dbraw/zinc/84/16/77/379841677.db2.gz BBEKHIWOZHYIAL-CQSZACIVSA-N 2 0 326.441 -0.445 20 0 EBADRP [NH3+]CCCOCCNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000627218842 379842630 /nfs/dbraw/zinc/84/26/30/379842630.db2.gz JCSSZWNKACSKPT-CYBMUJFWSA-N 2 0 329.445 -0.619 20 0 EBADRP COc1cccc(C[C@@H]([NH3+])C(=O)N(C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000637811150 379862812 /nfs/dbraw/zinc/86/28/12/379862812.db2.gz RAMLRJFDVCENOY-OAHLLOKOSA-N 2 0 334.420 -0.545 20 0 EBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000276812399 379862834 /nfs/dbraw/zinc/86/28/34/379862834.db2.gz DTNQZSWTJGNNFK-HIFRSBDPSA-N 2 0 348.451 -0.123 20 0 EBADRP C[NH2+]CCOCCNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000627172833 379821135 /nfs/dbraw/zinc/82/11/35/379821135.db2.gz HGXVNWUJTNRXQN-UHFFFAOYSA-N 2 0 341.500 -0.109 20 0 EBADRP C[NH2+]CCOCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000627174062 379821269 /nfs/dbraw/zinc/82/12/69/379821269.db2.gz IEDXXHYBJHZSJI-CQSZACIVSA-N 2 0 341.456 -0.830 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000633138900 379947450 /nfs/dbraw/zinc/94/74/50/379947450.db2.gz FIUDTSDUIKVRFR-OLZOCXBDSA-N 2 0 347.419 -0.313 20 0 EBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000633147567 379948847 /nfs/dbraw/zinc/94/88/47/379948847.db2.gz SLVWLZZKZVHBLA-ZIAGYGMSSA-N 2 0 327.473 -0.724 20 0 EBADRP C[C@@H](CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000354737234 380089683 /nfs/dbraw/zinc/08/96/83/380089683.db2.gz IIXZAVCNIRBHDU-GJZGRUSLSA-N 2 0 339.484 -0.756 20 0 EBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C[C@H]1C ZINC000354671790 380077698 /nfs/dbraw/zinc/07/76/98/380077698.db2.gz KANSJSQJPYBJPW-RDBSUJKOSA-N 2 0 326.441 -0.842 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000354702423 380084575 /nfs/dbraw/zinc/08/45/75/380084575.db2.gz CQHRGYDAFAHIQR-HNNXBMFYSA-N 2 0 340.468 -0.138 20 0 EBADRP C[C@@H](CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)C[NH+]1CCN(C)CC1 ZINC000546591410 380115514 /nfs/dbraw/zinc/11/55/14/380115514.db2.gz BXNGNSOXJZBMRN-GOEBONIOSA-N 2 0 327.473 -0.764 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638096609 380128483 /nfs/dbraw/zinc/12/84/83/380128483.db2.gz KNFQXZOEBYXJIP-YOEHRIQHSA-N 2 0 340.468 -0.199 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638096607 380129295 /nfs/dbraw/zinc/12/92/95/380129295.db2.gz KNFQXZOEBYXJIP-RHSMWYFYSA-N 2 0 340.468 -0.199 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638098086 380132389 /nfs/dbraw/zinc/13/23/89/380132389.db2.gz ZAUYQASBDIECEC-XJKSGUPXSA-N 2 0 326.441 -0.576 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638138831 380202600 /nfs/dbraw/zinc/20/26/00/380202600.db2.gz HHLRNWKNAFHUKM-SJORKVTESA-N 2 0 333.480 -0.192 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H](N)C[NH+](C)Cc1ccccc1 ZINC000638138829 380203340 /nfs/dbraw/zinc/20/33/40/380203340.db2.gz HHLRNWKNAFHUKM-IAGOWNOFSA-N 2 0 333.480 -0.192 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000550837215 380260320 /nfs/dbraw/zinc/26/03/20/380260320.db2.gz YPSSRYLTXRCPDQ-OAHLLOKOSA-N 2 0 330.498 -0.050 20 0 EBADRP CS[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@@H]1[NH+](C)C ZINC000357911761 380222901 /nfs/dbraw/zinc/22/29/01/380222901.db2.gz LCILZBBTKNWAMH-MELADBBJSA-N 2 0 342.509 -0.100 20 0 EBADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000638241842 380308098 /nfs/dbraw/zinc/30/80/98/380308098.db2.gz TYTPVCQYDMGOAS-ZWKOTPCHSA-N 2 0 345.491 -0.048 20 0 EBADRP C[NH+]1CCN(c2cc(C(=O)NC[C@@H]3C[NH2+]CCCO3)ccn2)CC1 ZINC000565040561 380397234 /nfs/dbraw/zinc/39/72/34/380397234.db2.gz NENRVCLHYPWYFS-HNNXBMFYSA-N 2 0 333.436 -0.058 20 0 EBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)NCC3CC[NH+](C4CC4)CC3)CCN2C1=O ZINC000565249812 380411816 /nfs/dbraw/zinc/41/18/16/380411816.db2.gz JHIWIYWUSMRALB-GJZGRUSLSA-N 2 0 335.452 -0.186 20 0 EBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362567532 380412022 /nfs/dbraw/zinc/41/20/22/380412022.db2.gz INXRBPZGYQXCLW-OLZOCXBDSA-N 2 0 348.451 -0.196 20 0 EBADRP O=C([C@H]1CC[C@H](C2CC2)[NH2+]1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638485959 380486132 /nfs/dbraw/zinc/48/61/32/380486132.db2.gz MOPWDKUHXAGCLC-HUUCEWRRSA-N 2 0 335.452 -0.314 20 0 EBADRP Cc1cccc(OC[C@@H](O)C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000567111071 380501706 /nfs/dbraw/zinc/50/17/06/380501706.db2.gz GPZBXDKMYSDTSX-IRXDYDNUSA-N 2 0 337.464 -0.067 20 0 EBADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]1C[NH+]2CCN1CCC2 ZINC000638423729 380467443 /nfs/dbraw/zinc/46/74/43/380467443.db2.gz ANOFLLDGTHGJAX-ROUUACIJSA-N 2 0 345.491 -0.048 20 0 EBADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@@H]1C[NH+]2CCN1CCC2 ZINC000638423727 380468322 /nfs/dbraw/zinc/46/83/22/380468322.db2.gz ANOFLLDGTHGJAX-MSOLQXFVSA-N 2 0 345.491 -0.048 20 0 EBADRP CC[NH+](CC)CCOCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566511727 380480027 /nfs/dbraw/zinc/48/00/27/380480027.db2.gz AWGAKHNUJHBOFK-KBPBESRZSA-N 2 0 341.456 -0.702 20 0 EBADRP O=C(N1CC[NH2+]CC1)N1CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000638486379 380483749 /nfs/dbraw/zinc/48/37/49/380483749.db2.gz RTSGAFFZWQNRTB-UHFFFAOYSA-N 2 0 335.452 -0.170 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000340506238 380522580 /nfs/dbraw/zinc/52/25/80/380522580.db2.gz DOEHUKHWMCHBTQ-CYBMUJFWSA-N 2 0 326.441 -0.719 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000340553217 380538639 /nfs/dbraw/zinc/53/86/39/380538639.db2.gz WYAJXSMVKBGGJU-HNNXBMFYSA-N 2 0 342.484 -0.131 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000340584280 380557962 /nfs/dbraw/zinc/55/79/62/380557962.db2.gz PHUOATPXFZQTST-OAHLLOKOSA-N 2 0 342.484 -0.129 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCOCCC[NH3+])CC1=O ZINC000638660691 380565375 /nfs/dbraw/zinc/56/53/75/380565375.db2.gz IBNLZDWVEFJAMJ-HUUCEWRRSA-N 2 0 340.468 -0.199 20 0 EBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000340793880 380631740 /nfs/dbraw/zinc/63/17/40/380631740.db2.gz JRZGUZKPXPQLOV-LSDHHAIUSA-N 2 0 341.500 -0.558 20 0 EBADRP C[C@@H]1CC[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)O1 ZINC000573234666 380665085 /nfs/dbraw/zinc/66/50/85/380665085.db2.gz DUHNFVMMZQSGRL-KGLIPLIRSA-N 2 0 328.457 -0.378 20 0 EBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000573452647 380674995 /nfs/dbraw/zinc/67/49/95/380674995.db2.gz DQIZQFQCCABSNL-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH+]1CCOC ZINC000341567293 380710177 /nfs/dbraw/zinc/71/01/77/380710177.db2.gz SYMSPVJBHZTBRP-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP COC[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000573807114 380686650 /nfs/dbraw/zinc/68/66/50/380686650.db2.gz FQCQBXJSGPRYEG-CQSZACIVSA-N 2 0 328.457 -0.567 20 0 EBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000573091003 380658431 /nfs/dbraw/zinc/65/84/31/380658431.db2.gz SSXDAJDBTUSTHH-KFWWJZLASA-N 2 0 340.468 -0.201 20 0 EBADRP COC[C@]1(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000573117061 380660274 /nfs/dbraw/zinc/66/02/74/380660274.db2.gz DAQOMDKZGGSTPT-PBHICJAKSA-N 2 0 338.452 -0.717 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C)[NH+](C)C1CC1 ZINC000341544314 380716684 /nfs/dbraw/zinc/71/66/84/380716684.db2.gz HJYGBUKTGYNSBU-ZFWWWQNUSA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H](O)Cc2cccc(F)c2)CC1 ZINC000575401428 380738829 /nfs/dbraw/zinc/73/88/29/380738829.db2.gz YCNINOJQLRPXCR-DLBZAZTESA-N 2 0 325.428 -0.073 20 0 EBADRP O=C(NC1C[NH2+]C1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000580533416 380740093 /nfs/dbraw/zinc/74/00/93/380740093.db2.gz GHWMUHWWYNMUKJ-UHFFFAOYSA-N 2 0 334.395 -0.006 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[NH2+]C[C@@H]2C(F)F)C1 ZINC000576350044 380768877 /nfs/dbraw/zinc/76/88/77/380768877.db2.gz DQGRENDETOFJOA-ZIAGYGMSSA-N 2 0 348.438 -0.002 20 0 EBADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000576492927 380774493 /nfs/dbraw/zinc/77/44/93/380774493.db2.gz VPEHBYDNCLVOCK-OAHLLOKOSA-N 2 0 337.468 -0.162 20 0 EBADRP C[C@@H]1C[NH+](CC2CCN(C(=O)CNC(=O)C[NH3+])CC2)C[C@@H](C)O1 ZINC000125213230 380826407 /nfs/dbraw/zinc/82/64/07/380826407.db2.gz FUXYSIZPRAOPKH-CHWSQXEVSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@H]1C[NH+](CCC2CCN(C(=O)CNC(=O)C[NH3+])CC2)C[C@H](C)O1 ZINC000125249035 380827882 /nfs/dbraw/zinc/82/78/82/380827882.db2.gz BMVMQKRTFDAFOT-KBPBESRZSA-N 2 0 340.468 -0.201 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000627427247 380856602 /nfs/dbraw/zinc/85/66/02/380856602.db2.gz AEIODKAPRIQKTE-CQSZACIVSA-N 2 0 340.468 -0.057 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000578448832 380930266 /nfs/dbraw/zinc/93/02/66/380930266.db2.gz PBTKHGKISHMXFN-CYBMUJFWSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000578741629 380951164 /nfs/dbraw/zinc/95/11/64/380951164.db2.gz PAIGOAXCIJFUQS-ZIAGYGMSSA-N 2 0 325.457 -0.162 20 0 EBADRP C[C@H]1CN(C(=O)NCCCN2CC[NH2+]CC2)CC[N@@H+]1CC(C)(C)O ZINC000418294554 381031536 /nfs/dbraw/zinc/03/15/36/381031536.db2.gz GDIGRRYWWDCTPE-HNNXBMFYSA-N 2 0 341.500 -0.232 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000581364124 381071531 /nfs/dbraw/zinc/07/15/31/381071531.db2.gz BGDWYLSBTNENSZ-CABCVRRESA-N 3 0 339.484 -0.994 20 0 EBADRP CC1CC[NH+](C[C@H](O)CNC(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000418307371 381034305 /nfs/dbraw/zinc/03/43/05/381034305.db2.gz SOVPMSGCOUBGDA-OAHLLOKOSA-N 2 0 327.473 -0.716 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418307343 381034659 /nfs/dbraw/zinc/03/46/59/381034659.db2.gz SLTPLQPFTSLRLD-HNNXBMFYSA-N 2 0 327.473 -0.356 20 0 EBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000642440185 381094049 /nfs/dbraw/zinc/09/40/49/381094049.db2.gz YDJLEFKGBLKVOL-MJBXVCDLSA-N 2 0 326.441 -0.448 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000583802297 381142714 /nfs/dbraw/zinc/14/27/14/381142714.db2.gz OUWJELKGVCOORS-CABCVRRESA-N 2 0 337.468 -0.066 20 0 EBADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000642517668 381158002 /nfs/dbraw/zinc/15/80/02/381158002.db2.gz GXXCUPBEFHCEKK-OAHLLOKOSA-N 2 0 339.484 -0.676 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000418404333 381201693 /nfs/dbraw/zinc/20/16/93/381201693.db2.gz QEFWSSZDKNAYNH-CQSZACIVSA-N 2 0 325.457 -0.081 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H](CC[NH3+])C(F)F)CC1 ZINC000418727462 381259306 /nfs/dbraw/zinc/25/93/06/381259306.db2.gz FGEZZWHVFFQCDU-NEPJUHHUSA-N 2 0 347.410 -0.083 20 0 EBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418753196 381260252 /nfs/dbraw/zinc/26/02/52/381260252.db2.gz CTJOECUCMIOOKN-OAHLLOKOSA-N 2 0 328.505 -0.585 20 0 EBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000633141412 381241081 /nfs/dbraw/zinc/24/10/81/381241081.db2.gz JZTPUUJOTRQKPT-QWHCGFSZSA-N 2 0 326.441 -0.496 20 0 EBADRP C[C@]1(CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCC[NH2+]C1 ZINC000418547431 381244562 /nfs/dbraw/zinc/24/45/62/381244562.db2.gz RLIAKQVSEHYHFU-BBRMVZONSA-N 2 0 325.457 -0.127 20 0 EBADRP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)[NH+](C)C)cc1 ZINC000418825690 381286753 /nfs/dbraw/zinc/28/67/53/381286753.db2.gz UMQHIWQJBATPOX-HOTGVXAUSA-N 2 0 348.447 -0.181 20 0 EBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000418855282 381306570 /nfs/dbraw/zinc/30/65/70/381306570.db2.gz URNNPCHUYFUMOL-CVEARBPZSA-N 2 0 348.447 -0.538 20 0 EBADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCC(=O)N(C)CC(=O)OC)C2)CC1 ZINC000130414285 381302242 /nfs/dbraw/zinc/30/22/42/381302242.db2.gz WGHIZDRCAZOTFA-HNNXBMFYSA-N 2 0 340.468 -0.280 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CCCO1 ZINC000418883655 381330057 /nfs/dbraw/zinc/33/00/57/381330057.db2.gz VNYRSVUKGKHELI-HUUCEWRRSA-N 2 0 340.468 -0.057 20 0 EBADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)[C@H]1c1ccccc1 ZINC000418902002 381337586 /nfs/dbraw/zinc/33/75/86/381337586.db2.gz GHSQSOBTFZGDQN-LSDHHAIUSA-N 2 0 334.420 -0.672 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC(C[NH3+])CC2)C1 ZINC000418919256 381339178 /nfs/dbraw/zinc/33/91/78/381339178.db2.gz KAHMHXKMYWQLFM-HNNXBMFYSA-N 2 0 340.468 -0.343 20 0 EBADRP C[NH2+]CCNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418868364 381319110 /nfs/dbraw/zinc/31/91/10/381319110.db2.gz VTSNUZHNFCHEGD-UHFFFAOYSA-N 2 0 347.463 -0.744 20 0 EBADRP CNS(=O)(=O)CCC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000347984539 381319818 /nfs/dbraw/zinc/31/98/18/381319818.db2.gz AOPZUNRZIPKJGZ-UHFFFAOYSA-N 2 0 334.486 -0.685 20 0 EBADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418870306 381320491 /nfs/dbraw/zinc/32/04/91/381320491.db2.gz YKCGCJXYJIWADO-HZPDHXFCSA-N 2 0 346.431 -0.518 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[N@H+](C)Cc1ccccc1 ZINC000418954444 381348981 /nfs/dbraw/zinc/34/89/81/381348981.db2.gz WKMYUHRGPXYJII-AWEZNQCLSA-N 2 0 336.436 -0.597 20 0 EBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419025775 381356120 /nfs/dbraw/zinc/35/61/20/381356120.db2.gz MWORHTXDABEDKU-KFWWJZLASA-N 2 0 340.468 -0.282 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000419045747 381364038 /nfs/dbraw/zinc/36/40/38/381364038.db2.gz OBPROGFBULSKFH-ZIAGYGMSSA-N 2 0 339.484 -0.757 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000419043367 381365005 /nfs/dbraw/zinc/36/50/05/381365005.db2.gz JGBSWQZTSYUECO-AWEZNQCLSA-N 2 0 342.484 -0.035 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)C1 ZINC000418931266 381343507 /nfs/dbraw/zinc/34/35/07/381343507.db2.gz YBEFLIVPWVYOFP-UONOGXRCSA-N 2 0 326.441 -0.720 20 0 EBADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419123866 381383639 /nfs/dbraw/zinc/38/36/39/381383639.db2.gz QHUSRTUOSCBYRD-UONOGXRCSA-N 2 0 326.441 -0.447 20 0 EBADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419125289 381384602 /nfs/dbraw/zinc/38/46/02/381384602.db2.gz SXHNRKGBFKZTSQ-LSDHHAIUSA-N 2 0 340.468 -0.057 20 0 EBADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419125722 381387073 /nfs/dbraw/zinc/38/70/73/381387073.db2.gz UQTZVYXXPXZBFZ-ZIAGYGMSSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000419197041 381397119 /nfs/dbraw/zinc/39/71/19/381397119.db2.gz BMJPUQCWDCNZIF-ZDUSSCGKSA-N 2 0 336.436 -0.046 20 0 EBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000419401297 381426025 /nfs/dbraw/zinc/42/60/25/381426025.db2.gz APBHHIXKQXPQOJ-OKILXGFUSA-N 2 0 328.457 -0.750 20 0 EBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000419404795 381429132 /nfs/dbraw/zinc/42/91/32/381429132.db2.gz GSXFDPWBTIIMMP-RBSFLKMASA-N 2 0 340.468 -0.425 20 0 EBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000419404793 381429368 /nfs/dbraw/zinc/42/93/68/381429368.db2.gz GSXFDPWBTIIMMP-QLFBSQMISA-N 2 0 340.468 -0.425 20 0 EBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000419413119 381430845 /nfs/dbraw/zinc/43/08/45/381430845.db2.gz RRJNCTNXZSUHBX-KGLIPLIRSA-N 2 0 326.441 -0.671 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419451048 381438863 /nfs/dbraw/zinc/43/88/63/381438863.db2.gz MEDRUVYTBDCPKA-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000419474155 381445170 /nfs/dbraw/zinc/44/51/70/381445170.db2.gz BUNJJIZEICJMGO-GJZGRUSLSA-N 2 0 340.468 -0.199 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000419488053 381445538 /nfs/dbraw/zinc/44/55/38/381445538.db2.gz ZVYJANPMWHNGNT-GJZGRUSLSA-N 2 0 340.468 -0.057 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000419526853 381447763 /nfs/dbraw/zinc/44/77/63/381447763.db2.gz AZMYKVZMVVLDIR-ZNMIVQPWSA-N 2 0 340.468 -0.201 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000419526851 381449231 /nfs/dbraw/zinc/44/92/31/381449231.db2.gz AZMYKVZMVVLDIR-RRFJBIMHSA-N 2 0 340.468 -0.201 20 0 EBADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419699064 381475586 /nfs/dbraw/zinc/47/55/86/381475586.db2.gz QQQQDAJYHKQLKV-LSDHHAIUSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)C[N@@H+]1Cc1ccccc1 ZINC000419714740 381476795 /nfs/dbraw/zinc/47/67/95/381476795.db2.gz XZFJRTXKVMSDLN-GOEBONIOSA-N 2 0 348.447 -0.455 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])C1 ZINC000419738988 381483412 /nfs/dbraw/zinc/48/34/12/381483412.db2.gz ZOMAMVAGJNRKQD-IHRRRGAJSA-N 2 0 326.441 -0.448 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419550423 381453139 /nfs/dbraw/zinc/45/31/39/381453139.db2.gz WIWNBQYUBYILIR-QLFBSQMISA-N 2 0 338.452 -0.434 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000419672634 381468474 /nfs/dbraw/zinc/46/84/74/381468474.db2.gz GMMSRZRJRVWXPF-KBPBESRZSA-N 2 0 328.457 -0.295 20 0 EBADRP CC1=CC[N@H+](CCNC(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419846882 381505007 /nfs/dbraw/zinc/50/50/07/381505007.db2.gz AMXOXFGUYZDAJT-UHFFFAOYSA-N 2 0 337.468 -0.834 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419859226 381510295 /nfs/dbraw/zinc/51/02/95/381510295.db2.gz JHVCWGVJKYJVKR-CYBMUJFWSA-N 2 0 347.419 -0.408 20 0 EBADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000535718207 381514633 /nfs/dbraw/zinc/51/46/33/381514633.db2.gz HIMRTVQATRRYIH-QGZVFWFLSA-N 2 0 337.512 -0.234 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000419730381 381491562 /nfs/dbraw/zinc/49/15/62/381491562.db2.gz PTOQAJVGFHRDDR-MCIONIFRSA-N 2 0 326.441 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CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000420037904 381534207 /nfs/dbraw/zinc/53/42/07/381534207.db2.gz MKJJSJNNMUJLRQ-UPJWGTAASA-N 2 0 326.441 -0.184 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCCO[C@@H](C[NH3+])C2)C1 ZINC000420392025 381583754 /nfs/dbraw/zinc/58/37/54/381583754.db2.gz PCMCXKDOZPQZFR-JKSUJKDBSA-N 2 0 342.484 -0.491 20 0 EBADRP CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000420309983 381579892 /nfs/dbraw/zinc/57/98/92/381579892.db2.gz PGFIPEVGFXRCOE-CYBMUJFWSA-N 2 0 332.470 -0.788 20 0 EBADRP CN(CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C[C@@H](O)C[NH3+] ZINC000420355481 381581628 /nfs/dbraw/zinc/58/16/28/381581628.db2.gz PQSOOKMXUHMASM-HNNXBMFYSA-N 2 0 342.484 -0.611 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000420179361 381562980 /nfs/dbraw/zinc/56/29/80/381562980.db2.gz BMLWOCVPSPAIJM-RBSFLKMASA-N 2 0 340.468 -0.282 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000351524092 381637776 /nfs/dbraw/zinc/63/77/76/381637776.db2.gz PWTBXCNLLPZMME-KGLIPLIRSA-N 2 0 326.441 -0.672 20 0 EBADRP NS(=O)(=O)c1ccc(NC(=O)CN2C[C@@H]3[C@H]([NH3+])CC[C@@H]3C2)cc1 ZINC000351497876 381631038 /nfs/dbraw/zinc/63/10/38/381631038.db2.gz VEPFBGABZFWISO-DDTOSNHZSA-N 2 0 338.433 -0.058 20 0 EBADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351554010 381641869 /nfs/dbraw/zinc/64/18/69/381641869.db2.gz HBQUIXOVLZAYAB-DZGCQCFKSA-N 2 0 340.468 -0.594 20 0 EBADRP C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@H]3C[C@H](O)C[NH2+]3)CC2)nc1 ZINC000572124214 381643523 /nfs/dbraw/zinc/64/35/23/381643523.db2.gz MZIUCEDRMRLAHU-LSDHHAIUSA-N 2 0 333.436 -0.485 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000351563464 381645580 /nfs/dbraw/zinc/64/55/80/381645580.db2.gz KPUNMMQAYVJALH-MJBXVCDLSA-N 2 0 326.441 -0.530 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000351676594 381662685 /nfs/dbraw/zinc/66/26/85/381662685.db2.gz 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C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000333467861 381924927 /nfs/dbraw/zinc/92/49/27/381924927.db2.gz AKNSUZOSKNEVHW-HUUCEWRRSA-N 2 0 337.468 -0.066 20 0 EBADRP CC(C)[C@H](CNC(=O)NC[C@@H]1COCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000626930182 381957825 /nfs/dbraw/zinc/95/78/25/381957825.db2.gz XXJFTAWPJAEPGW-CABCVRRESA-N 2 0 327.473 -0.454 20 0 EBADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[N@@H+]1CC(C)(C)O ZINC000333786774 381959392 /nfs/dbraw/zinc/95/93/92/381959392.db2.gz FMSPFZQGLYOBFA-KGLIPLIRSA-N 2 0 328.457 -0.149 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643511176 381962466 /nfs/dbraw/zinc/96/24/66/381962466.db2.gz KMHHAHSYZFCGOH-KBPBESRZSA-N 2 0 326.441 -0.767 20 0 EBADRP CN(CCC[NH+](C)C)CCNC(=O)c1ccc(S(N)(=O)=O)nc1 ZINC000617765770 381971319 /nfs/dbraw/zinc/97/13/19/381971319.db2.gz PMVHNCNKRNNNAM-UHFFFAOYSA-N 2 0 343.453 -0.658 20 0 EBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@](C)(O)Cn1ccccc1=O ZINC000617764413 381972284 /nfs/dbraw/zinc/97/22/84/381972284.db2.gz WAZYQBAJBVFYPQ-QGZVFWFLSA-N 2 0 338.452 -0.401 20 0 EBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000617767966 381977495 /nfs/dbraw/zinc/97/74/95/381977495.db2.gz JWJVFJULTLLOBS-CYBMUJFWSA-N 2 0 334.486 -0.590 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000103212201 382034447 /nfs/dbraw/zinc/03/44/47/382034447.db2.gz YSELSDNRSFDMIV-UHFFFAOYSA-N 2 0 348.513 -0.390 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C[C@H](C)O)C[C@@H]2C)C1 ZINC000353554933 382156712 /nfs/dbraw/zinc/15/67/12/382156712.db2.gz YGXPOKJPITTXBU-KKUMJFAQSA-N 2 0 328.457 -0.196 20 0 EBADRP CC1=CC[N@H+](CCNC(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000354094843 382203460 /nfs/dbraw/zinc/20/34/60/382203460.db2.gz WXMMUTJPXRJZOI-UHFFFAOYSA-N 2 0 326.441 -0.551 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1CCOCC1=O ZINC000344390066 285276364 /nfs/dbraw/zinc/27/63/64/285276364.db2.gz DJACNMHZSKCEFN-HNNXBMFYSA-N 2 0 340.468 -0.280 20 0 EBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCNC(=O)C1 ZINC000299536862 155160978 /nfs/dbraw/zinc/16/09/78/155160978.db2.gz UNFLXHQLRZDVAE-UHFFFAOYSA-N 2 0 346.435 -0.265 20 0 EBADRP CNC(=O)[C@H](C)C[N@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000176385171 154110819 /nfs/dbraw/zinc/11/08/19/154110819.db2.gz KKGAZKBUCDHDLH-CABCVRRESA-N 2 0 342.484 -0.227 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@H]3C[NH2+]CCO3)CC2)C1 ZINC000246578161 154183745 /nfs/dbraw/zinc/18/37/45/154183745.db2.gz VLDOJDRYEABCKF-HZPDHXFCSA-N 2 0 340.468 -0.772 20 0 EBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2nnnn2-c2ccccc2)C1 ZINC000261669140 154195860 /nfs/dbraw/zinc/19/58/60/154195860.db2.gz LLDDCBQDNSEBGA-CYBMUJFWSA-N 2 0 329.408 -0.051 20 0 EBADRP C[C@@H]([NH3+])CC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000261668844 154196214 /nfs/dbraw/zinc/19/62/14/154196214.db2.gz AKYQZYPHULNIRS-CYBMUJFWSA-N 2 0 334.424 -0.301 20 0 EBADRP O=C(NC[C@H]1CCC[N@H+](CCN2C(=O)CCC2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000261718816 154197651 /nfs/dbraw/zinc/19/76/51/154197651.db2.gz QKWRCWLMWUTFSK-KGLIPLIRSA-N 2 0 336.436 -0.284 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000261980715 154207060 /nfs/dbraw/zinc/20/70/60/154207060.db2.gz HVTLNDXOQSHMOJ-BBRMVZONSA-N 2 0 342.484 -0.363 20 0 EBADRP COC[C@H]([NH3+])C(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000262279355 154221775 /nfs/dbraw/zinc/22/17/75/154221775.db2.gz LLJJHAMWRPCVBG-CABCVRRESA-N 2 0 328.457 -0.787 20 0 EBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C[C@H]2COCC[NH2+]2)c1 ZINC000262386187 154228683 /nfs/dbraw/zinc/22/86/83/154228683.db2.gz NORARASKZTUSPR-INIZCTEOSA-N 2 0 348.447 -0.027 20 0 EBADRP CO[C@@H](C[NH3+])CC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000262785581 154246942 /nfs/dbraw/zinc/24/69/42/154246942.db2.gz COSAPAOMWDGVHA-OAHLLOKOSA-N 2 0 336.436 -0.042 20 0 EBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NC1CC1 ZINC000265244627 154309653 /nfs/dbraw/zinc/30/96/53/154309653.db2.gz QZNMAVJUDGFYKE-UHFFFAOYSA-N 2 0 331.420 -0.012 20 0 EBADRP CC[NH+]1CCN(CC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000342963376 156078125 /nfs/dbraw/zinc/07/81/25/156078125.db2.gz KZTWWZYQPKFLIE-MRXNPFEDSA-N 2 0 326.485 -0.023 20 0 EBADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCC[N@H+](C)C2CC2)C[C@H](C)O1 ZINC000343292022 156119334 /nfs/dbraw/zinc/11/93/34/156119334.db2.gz DALSHSMHJOXDMQ-KBPBESRZSA-N 2 0 340.468 -0.188 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[NH+](C)C1CC1 ZINC000343315778 156122150 /nfs/dbraw/zinc/12/21/50/156122150.db2.gz YYUPLKZNTRVXBH-AWEZNQCLSA-N 2 0 326.441 -0.576 20 0 EBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000343455500 156137167 /nfs/dbraw/zinc/13/71/67/156137167.db2.gz JCESUPZPRUIYDC-CQSZACIVSA-N 2 0 349.435 -0.270 20 0 EBADRP Cn1cc(CN2CCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CC2)cn1 ZINC000343683209 156156660 /nfs/dbraw/zinc/15/66/60/156156660.db2.gz AZLBLPCBJBQAIA-INIZCTEOSA-N 2 0 332.452 -0.546 20 0 EBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)C1 ZINC000343888827 156178686 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/nfs/dbraw/zinc/19/02/73/157190273.db2.gz RYAUEBIQENTNTM-GJZGRUSLSA-N 2 0 334.420 -0.683 20 0 EBADRP Cn1cc(S(=O)(=O)NCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000358502541 157249988 /nfs/dbraw/zinc/24/99/88/157249988.db2.gz VRCDUKZIVMIYJP-UHFFFAOYSA-N 2 0 327.454 -0.226 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000358581717 157264214 /nfs/dbraw/zinc/26/42/14/157264214.db2.gz XTWXNYQMBOEJSS-UONOGXRCSA-N 2 0 328.457 -0.378 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)C[C@@H](C)O1 ZINC000358686064 157271953 /nfs/dbraw/zinc/27/19/53/157271953.db2.gz TYUUBPYLLONUMD-FMKPAKJESA-N 2 0 328.457 -0.149 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1)C1CC1 ZINC000359257031 157308212 /nfs/dbraw/zinc/30/82/12/157308212.db2.gz APEVTNWVFJCUPW-UHFFFAOYSA-N 2 0 348.451 -0.346 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000360273670 157370689 /nfs/dbraw/zinc/37/06/89/157370689.db2.gz UIKQWSSHKYDAMK-CQSZACIVSA-N 2 0 342.484 -0.083 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000360272307 157370704 /nfs/dbraw/zinc/37/07/04/157370704.db2.gz NGPBYRXZLCWRLB-UHFFFAOYSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000360277519 157372534 /nfs/dbraw/zinc/37/25/34/157372534.db2.gz CNYZMLLPJNYQIY-ZIAGYGMSSA-N 2 0 326.441 -0.767 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000360287080 157373065 /nfs/dbraw/zinc/37/30/65/157373065.db2.gz SDLQLIGSVUDGOY-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP CCCN(C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C)[C@H]1CC[N@H+](C)C1 ZINC000647032981 418979148 /nfs/dbraw/zinc/97/91/48/418979148.db2.gz IVDJUTUNRRKHFF-LSDHHAIUSA-N 2 0 339.484 -0.709 20 0 EBADRP C[NH+](C)CC[C@H](N)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000653116572 418990345 /nfs/dbraw/zinc/99/03/45/418990345.db2.gz LZYXDYTVOKLBKD-AWEZNQCLSA-N 2 0 325.457 -0.968 20 0 EBADRP C[NH+]1CCN(c2cc(CNC(=O)[C@]34C[NH2+]C[C@H]3COC4)ccn2)CC1 ZINC000653125115 418992136 /nfs/dbraw/zinc/99/21/36/418992136.db2.gz SWQVSAYQLFWMOR-YJBOKZPZSA-N 2 0 345.447 -0.314 20 0 EBADRP C[C@H](CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[N@H+](C)C1CC1 ZINC000650847168 419081811 /nfs/dbraw/zinc/08/18/11/419081811.db2.gz NWGDTGPXHDXJOM-CYBMUJFWSA-N 2 0 325.457 -0.116 20 0 EBADRP O=C(C[C@@H]1CSCC[NH2+]1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000644135054 419105257 /nfs/dbraw/zinc/10/52/57/419105257.db2.gz HRNIRTAEPDVLGY-IOASZLSFSA-N 2 0 340.493 -0.156 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000647593747 419121278 /nfs/dbraw/zinc/12/12/78/419121278.db2.gz DRVYEOFOSOSEJU-IHRRRGAJSA-N 2 0 328.457 -0.155 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CN1CCCC[C@@H]([NH3+])C1=O ZINC000643775857 419053477 /nfs/dbraw/zinc/05/34/77/419053477.db2.gz DLMOKDJIJJFDMY-HUUCEWRRSA-N 2 0 340.468 -0.105 20 0 EBADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000653260638 419055265 /nfs/dbraw/zinc/05/52/65/419055265.db2.gz JBAQOSXPYOVKRT-KBXIAJHMSA-N 2 0 338.452 -0.258 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652692048 419180109 /nfs/dbraw/zinc/18/01/09/419180109.db2.gz HJWWUYHNDIFBCX-AWEZNQCLSA-N 2 0 326.441 -0.671 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@H]1C[NH3+] ZINC000652687771 419258035 /nfs/dbraw/zinc/25/80/35/419258035.db2.gz MDQASEMVTSEOIT-CBBWQLFWSA-N 2 0 338.452 -0.448 20 0 EBADRP CC1(C)C[NH2+][C@@H]1C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000647702947 419215905 /nfs/dbraw/zinc/21/59/05/419215905.db2.gz BYXMSIFGOFNIOT-GFCCVEGCSA-N 2 0 326.422 -0.140 20 0 EBADRP Cn1c(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc(=O)n(C)c1=O ZINC000652361657 419233676 /nfs/dbraw/zinc/23/36/76/419233676.db2.gz LWLMFBWMHBKCRV-BPLDGKMQSA-N 2 0 336.436 -0.055 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@@]1(C)C[NH3+] ZINC000652624890 419241555 /nfs/dbraw/zinc/24/15/55/419241555.db2.gz PJMSYVOWVGFIMO-MLGOLLRUSA-N 2 0 336.440 -0.174 20 0 EBADRP CC(=O)NCCN(C)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000645234076 419300243 /nfs/dbraw/zinc/30/02/43/419300243.db2.gz NIUKICFQBLUQGR-AWEZNQCLSA-N 2 0 325.457 -0.068 20 0 EBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000652707299 419301437 /nfs/dbraw/zinc/30/14/37/419301437.db2.gz WGQNOXCTWOHCMG-AWEZNQCLSA-N 2 0 328.457 -0.343 20 0 EBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000652704081 419301592 /nfs/dbraw/zinc/30/15/92/419301592.db2.gz FLCVSJAMQPXLQS-AWEZNQCLSA-N 2 0 326.441 -0.575 20 0 EBADRP COC(=O)[C@H]1CN(C(=O)NCC[NH+]2CCCOCC2)CC[N@H+](C)C1 ZINC000413572899 419308356 /nfs/dbraw/zinc/30/83/56/419308356.db2.gz RZCGLBLTCDZPSS-CQSZACIVSA-N 2 0 342.440 -0.545 20 0 EBADRP CN(CCC[NH3+])CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000647850127 419310151 /nfs/dbraw/zinc/31/01/51/419310151.db2.gz JNSFTLCAQBQWPL-UHFFFAOYSA-N 2 0 328.438 -0.727 20 0 EBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCCCC2)CCO1 ZINC000652731414 419331034 /nfs/dbraw/zinc/33/10/34/419331034.db2.gz JQJNWEVVNVXJEE-KGLIPLIRSA-N 2 0 326.441 -0.495 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000346077522 419482150 /nfs/dbraw/zinc/48/21/50/419482150.db2.gz CJEFMIXZNHDYRN-UONOGXRCSA-N 2 0 340.468 -0.236 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000346537425 419490102 /nfs/dbraw/zinc/49/01/02/419490102.db2.gz UICBIRSNWXEMQG-DZGCQCFKSA-N 2 0 340.468 -0.378 20 0 EBADRP COCCCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000392010836 419469023 /nfs/dbraw/zinc/46/90/23/419469023.db2.gz FTCZHLYTCASHBX-LSDHHAIUSA-N 2 0 340.468 -0.281 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000519691074 419535968 /nfs/dbraw/zinc/53/59/68/419535968.db2.gz YWAVFPVBINVQIQ-MRXNPFEDSA-N 2 0 345.447 -0.018 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC(C)(C)O1 ZINC000519689753 419537415 /nfs/dbraw/zinc/53/74/15/419537415.db2.gz OIIOUFBOIBTLDS-CQSZACIVSA-N 2 0 342.484 -0.036 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000519771646 419543388 /nfs/dbraw/zinc/54/33/88/419543388.db2.gz YMTLJRIDNURBGX-DLBZAZTESA-N 2 0 347.463 -0.225 20 0 EBADRP O=C(CNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[NH2+]CC1 ZINC000520579302 419565484 /nfs/dbraw/zinc/56/54/84/419565484.db2.gz LBZQLTLDYDSUNM-INIZCTEOSA-N 2 0 345.447 -0.158 20 0 EBADRP C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C(=O)N1CCCC[C@H]1C ZINC000518964605 419510626 /nfs/dbraw/zinc/51/06/26/419510626.db2.gz BSHCTDZEYRWLKG-OWCLPIDISA-N 2 0 326.485 -0.026 20 0 EBADRP COc1ncccc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000526132156 419597830 /nfs/dbraw/zinc/59/78/30/419597830.db2.gz MDMRCJLAKLRHSJ-UHFFFAOYSA-N 2 0 337.424 -0.020 20 0 EBADRP C[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)[C@H]1CN(C)CCO1 ZINC000655709594 419619255 /nfs/dbraw/zinc/61/92/55/419619255.db2.gz CUFURKOKEIWSLI-SOUVJXGZSA-N 2 0 328.457 -0.149 20 0 EBADRP C[C@H](NC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2)[C@H]1CN(C)CCO1 ZINC000655710021 419622038 /nfs/dbraw/zinc/62/20/38/419622038.db2.gz RWJFFJDPQSDPAG-BYNSBNAKSA-N 2 0 326.441 -0.132 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659711262 419771327 /nfs/dbraw/zinc/77/13/27/419771327.db2.gz YMXSOIHJNMQMBW-ZIAGYGMSSA-N 2 0 327.473 -0.900 20 0 EBADRP CC(C)[C@@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000121161579 419720141 /nfs/dbraw/zinc/72/01/41/419720141.db2.gz LHHUOCKXNQKOIJ-WBVHZDCISA-N 2 0 343.516 -0.130 20 0 EBADRP COCC[N@H+](C)C[C@H](O)CN1CCC([NH+]2CCC[C@H]2C(N)=O)CC1 ZINC000653588189 419802202 /nfs/dbraw/zinc/80/22/02/419802202.db2.gz JBDWNXPJMGMNDS-HOTGVXAUSA-N 2 0 342.484 -0.660 20 0 EBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000659739600 419804283 /nfs/dbraw/zinc/80/42/83/419804283.db2.gz XNWRBRMWSUQUTN-CQSZACIVSA-N 2 0 340.468 -0.057 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419899840 419814147 /nfs/dbraw/zinc/81/41/47/419814147.db2.gz ZIUPNXKAZABMQX-CYBMUJFWSA-N 2 0 347.419 -0.393 20 0 EBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419878679 419814742 /nfs/dbraw/zinc/81/47/42/419814742.db2.gz YDTAFHDHOUEEMH-UHFFFAOYSA-N 2 0 339.484 -0.659 20 0 EBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000419959648 419819857 /nfs/dbraw/zinc/81/98/57/419819857.db2.gz RJHRCJMWTPPVCG-GJZGRUSLSA-N 2 0 339.484 -0.674 20 0 EBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000419959646 419822326 /nfs/dbraw/zinc/82/23/26/419822326.db2.gz RJHRCJMWTPPVCG-CABCVRRESA-N 2 0 339.484 -0.674 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000420055233 419834404 /nfs/dbraw/zinc/83/44/04/419834404.db2.gz HWVIQBKHKNHSHS-YUTCNCBUSA-N 2 0 338.452 -0.089 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420024579 419840413 /nfs/dbraw/zinc/84/04/13/419840413.db2.gz AOQIRGQSTPPYEA-KGLIPLIRSA-N 2 0 326.441 -0.591 20 0 EBADRP CNC(=O)[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000420975592 419856350 /nfs/dbraw/zinc/85/63/50/419856350.db2.gz OKDRKRDQBPYDPA-CABCVRRESA-N 2 0 340.468 -0.473 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C(C)C)C1 ZINC000422288993 419878139 /nfs/dbraw/zinc/87/81/39/419878139.db2.gz XOVQJRGRWVFMOC-CQSZACIVSA-N 2 0 328.457 -0.378 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000423205299 419922392 /nfs/dbraw/zinc/92/23/92/419922392.db2.gz FEEMWHRTDPKLEA-KFWWJZLASA-N 2 0 340.468 -0.249 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423261275 419926136 /nfs/dbraw/zinc/92/61/36/419926136.db2.gz JJBUDIQVHNAENL-OKILXGFUSA-N 2 0 326.441 -0.624 20 0 EBADRP C[NH2+]CCC1CCN(C(=O)C(=O)N(CCOC)CC[NH+](C)C)CC1 ZINC000423262037 419926394 /nfs/dbraw/zinc/92/63/94/419926394.db2.gz LNHAYTOLWNVHOI-UHFFFAOYSA-N 2 0 342.484 -0.129 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423259861 419927458 /nfs/dbraw/zinc/92/74/58/419927458.db2.gz FUMHJYIRMXNTJX-CZUORRHYSA-N 2 0 328.457 -0.534 20 0 EBADRP CN1CC[NH+](CCC(C)(C)NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000514834868 419973912 /nfs/dbraw/zinc/97/39/12/419973912.db2.gz UUZCYFNZGVMWHY-MRXNPFEDSA-N 2 0 337.512 -0.091 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CS(=O)(=O)NC ZINC000083605126 419984527 /nfs/dbraw/zinc/98/45/27/419984527.db2.gz SQIFSDAROUGCSX-ZDUSSCGKSA-N 2 0 334.486 -0.590 20 0 EBADRP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000516174694 420509657 /nfs/dbraw/zinc/50/96/57/420509657.db2.gz OZHDCFZQWOUWKX-CQSZACIVSA-N 2 0 327.473 -0.358 20 0 EBADRP COCC1(CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC000516465411 420512497 /nfs/dbraw/zinc/51/24/97/420512497.db2.gz WGWIFOMSUXDXQF-CYBMUJFWSA-N 2 0 326.441 -0.623 20 0 EBADRP COc1c(N)ncnc1NCCCN1CCN(c2ncccn2)CC1 ZINC000580582445 420516289 /nfs/dbraw/zinc/51/62/89/420516289.db2.gz SFLOOSYTDUOQPT-UHFFFAOYSA-N 2 0 344.423 0.482 20 0 EBADRP COC(=O)N1CCC(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000496473518 420635899 /nfs/dbraw/zinc/63/58/99/420635899.db2.gz WBXWQMPTHGLBJJ-OAHLLOKOSA-N 2 0 328.457 -0.337 20 0 EBADRP CC[N@H+](CCO)CCNC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000187107562 420707486 /nfs/dbraw/zinc/70/74/86/420707486.db2.gz PEFMDZOQVHBUQY-MRXNPFEDSA-N 2 0 343.516 -0.128 20 0 EBADRP C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000522137924 420716597 /nfs/dbraw/zinc/71/65/97/420716597.db2.gz MLEZMYQZSWSTSY-HUUCEWRRSA-N 2 0 338.452 -0.670 20 0 EBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000237890267 420738110 /nfs/dbraw/zinc/73/81/10/420738110.db2.gz ZBAITUZSHJKMPF-HNNXBMFYSA-N 2 0 338.452 -0.478 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000654927821 420846037 /nfs/dbraw/zinc/84/60/37/420846037.db2.gz CCINJIHXNOOHOB-MRXNPFEDSA-N 2 0 326.485 -0.166 20 0 EBADRP CN1CCN(c2cc[nH+]cc2NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000649351763 420804243 /nfs/dbraw/zinc/80/42/43/420804243.db2.gz PVPIITWCAHJHOB-CYBMUJFWSA-N 2 0 346.435 -0.360 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000649410465 420808553 /nfs/dbraw/zinc/80/85/53/420808553.db2.gz BYVQQHQTWAZKHR-XHSDSOJGSA-N 2 0 342.484 -0.493 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000654437642 420828620 /nfs/dbraw/zinc/82/86/20/420828620.db2.gz PNNPLVBJUJLGQH-QLFBSQMISA-N 2 0 326.441 -0.442 20 0 EBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655913626 420859419 /nfs/dbraw/zinc/85/94/19/420859419.db2.gz BQYOJDXZJJYTQO-ZJUUUORDSA-N 2 0 339.362 -0.237 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656025309 420866807 /nfs/dbraw/zinc/86/68/07/420866807.db2.gz GQVUGNHXGVIHHP-RQJABVFESA-N 2 0 328.457 -0.286 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656022205 420867593 /nfs/dbraw/zinc/86/75/93/420867593.db2.gz UXBSSCLGSJXJHP-XQLPTFJDSA-N 2 0 340.468 -0.284 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656039480 420868036 /nfs/dbraw/zinc/86/80/36/420868036.db2.gz AMZHKSUHFAEORT-MCIONIFRSA-N 2 0 326.441 -0.578 20 0 EBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656064325 420870105 /nfs/dbraw/zinc/87/01/05/420870105.db2.gz SSYZCXSHDNLGQW-QLFBSQMISA-N 2 0 338.452 -0.936 20 0 EBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656082982 420878373 /nfs/dbraw/zinc/87/83/73/420878373.db2.gz BHWQYFFWVVYWED-QLFBSQMISA-N 2 0 338.452 -0.747 20 0 EBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000656103159 420881451 /nfs/dbraw/zinc/88/14/51/420881451.db2.gz WRXNTZDCGVOCJI-KGLIPLIRSA-N 2 0 340.468 -0.106 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCCC1 ZINC000656283787 420884466 /nfs/dbraw/zinc/88/44/66/420884466.db2.gz GKVMTBPWDMCXLW-UONOGXRCSA-N 2 0 338.452 -0.746 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656325285 420890025 /nfs/dbraw/zinc/89/00/25/420890025.db2.gz NXCIQJIZOWQHBR-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)CC1 ZINC000658466181 420958120 /nfs/dbraw/zinc/95/81/20/420958120.db2.gz XDBOUSLRILMJKK-HNNXBMFYSA-N 2 0 338.452 -0.526 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000659496233 421002514 /nfs/dbraw/zinc/00/25/14/421002514.db2.gz RZEARRVFVUCCFT-RLAWYHOSSA-N 2 0 325.457 -0.023 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC[C@H]1F ZINC000659542864 421003276 /nfs/dbraw/zinc/00/32/76/421003276.db2.gz YMHNLDWSESMBRC-MXWKQRLJSA-N 2 0 341.353 -0.097 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000659679105 421013294 /nfs/dbraw/zinc/01/32/94/421013294.db2.gz DJWVYNAQZVRCAR-UONOGXRCSA-N 2 0 340.468 -0.324 20 0 EBADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000659685733 421014255 /nfs/dbraw/zinc/01/42/55/421014255.db2.gz VIZJXWTVLZYWQS-UHFFFAOYSA-N 2 0 328.457 -0.201 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000659686030 421015203 /nfs/dbraw/zinc/01/52/03/421015203.db2.gz XQUJWWQVOYRTKD-KGLIPLIRSA-N 2 0 327.473 -0.901 20 0 EBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1(C)C ZINC000659688718 421015364 /nfs/dbraw/zinc/01/53/64/421015364.db2.gz HRIZQZMFAONNDP-CHWSQXEVSA-N 2 0 343.447 -0.974 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CCSC1 ZINC000659702619 421017151 /nfs/dbraw/zinc/01/71/51/421017151.db2.gz SZMBUUCHPKCKFX-KWCHVYNWSA-N 2 0 326.466 -0.592 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000659696010 421017262 /nfs/dbraw/zinc/01/72/62/421017262.db2.gz JSPRHZZKXJGIPR-ZDUSSCGKSA-N 2 0 332.448 -0.074 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CCO1 ZINC000659715428 421019187 /nfs/dbraw/zinc/01/91/87/421019187.db2.gz UQWBGTASNBZGRK-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000659718875 421020794 /nfs/dbraw/zinc/02/07/94/421020794.db2.gz RHMQUTDIVUVZIG-KGLIPLIRSA-N 2 0 328.457 -0.345 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000659724881 421022668 /nfs/dbraw/zinc/02/26/68/421022668.db2.gz RJHWWTPHFNOSMS-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659738195 421024479 /nfs/dbraw/zinc/02/44/79/421024479.db2.gz BIZXNANKZNINOV-LSDHHAIUSA-N 2 0 340.468 -0.155 20 0 EBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000659744754 421027291 /nfs/dbraw/zinc/02/72/91/421027291.db2.gz PRRWZHSRHJIYRP-OAHLLOKOSA-N 2 0 341.500 -0.428 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659743219 421027718 /nfs/dbraw/zinc/02/77/18/421027718.db2.gz LLNQNENZGPOXFR-UUCFBXCCSA-N 2 0 338.452 -0.576 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C[NH2+]C)C1 ZINC000659750391 421029462 /nfs/dbraw/zinc/02/94/62/421029462.db2.gz NZSQXZSIQFMXFL-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659748871 421030100 /nfs/dbraw/zinc/03/01/00/421030100.db2.gz OAXMUKHWAVMQLR-UHFFFAOYSA-N 2 0 338.412 -0.944 20 0 EBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662401503 421087502 /nfs/dbraw/zinc/08/75/02/421087502.db2.gz PAMOEIFNDAGAOB-KBPBESRZSA-N 2 0 326.441 -0.591 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000662660607 421095713 /nfs/dbraw/zinc/09/57/13/421095713.db2.gz XHZWXYYESHUONT-AGUYFDCRSA-N 2 0 338.452 -0.721 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662929547 421111460 /nfs/dbraw/zinc/11/14/60/421111460.db2.gz HBSNTQCBIJLDDM-MGPQQGTHSA-N 2 0 344.431 -0.547 20 0 EBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)CC[C@@H]21 ZINC000662944277 421114174 /nfs/dbraw/zinc/11/41/74/421114174.db2.gz KOBKEIRBLWKDQH-SYQHCUMBSA-N 2 0 326.416 -0.173 20 0 EBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662943058 421114739 /nfs/dbraw/zinc/11/47/39/421114739.db2.gz RMEKZOLTNYJWMV-XJFOESAGSA-N 2 0 326.416 -0.031 20 0 EBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000662949575 421115723 /nfs/dbraw/zinc/11/57/23/421115723.db2.gz CAHZYZVUHDCOSE-KBPBESRZSA-N 2 0 326.441 -0.624 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)CCO1 ZINC000662958520 421117485 /nfs/dbraw/zinc/11/74/85/421117485.db2.gz WAKRDSBQCIPMIR-CQSZACIVSA-N 2 0 340.468 -0.105 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000662973228 421119459 /nfs/dbraw/zinc/11/94/59/421119459.db2.gz QJAHRAXCTFOMQE-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000663554544 421133365 /nfs/dbraw/zinc/13/33/65/421133365.db2.gz SAMAETVIEPSJJS-XGUBFFRZSA-N 2 0 328.457 -0.198 20 0 EBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000662992133 421122057 /nfs/dbraw/zinc/12/20/57/421122057.db2.gz AMVGFNRMAVBTFB-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000664130340 421147433 /nfs/dbraw/zinc/14/74/33/421147433.db2.gz SXGSESXDYQDGJA-CYBMUJFWSA-N 2 0 325.457 -0.116 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000664183230 421150598 /nfs/dbraw/zinc/15/05/98/421150598.db2.gz QFUSCDKLCISOHO-ZBFHGGJFSA-N 2 0 340.468 -0.052 20 0 EBADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC[N@H+](C)CC3)n2)CC1 ZINC000408370638 421202282 /nfs/dbraw/zinc/20/22/82/421202282.db2.gz NSGNKHWHADMFGJ-UHFFFAOYSA-N 2 0 348.451 0.252 20 0 EBADRP CO[C@@H]1CCN(C(=O)C(=O)NCC[NH+]2CCC(C)CC2)[C@H](C[NH3+])C1 ZINC000419408884 264865573 /nfs/dbraw/zinc/86/55/73/264865573.db2.gz MIDMNMNPVKPPSA-LSDHHAIUSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@@H](NC(=O)C(=O)NCCN1CC[NH2+]CC1)C(C)(C)C[NH+](C)C ZINC000419554349 264878654 /nfs/dbraw/zinc/87/86/54/264878654.db2.gz ZNDYVVYBAOBNAH-CYBMUJFWSA-N 2 0 327.473 -0.900 20 0 EBADRP C[C@H](C[NH3+])NC(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000420021813 264914800 /nfs/dbraw/zinc/91/48/00/264914800.db2.gz IRHTXLRAXDYYIB-RDTXWAMCSA-N 2 0 348.447 -0.455 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000420064845 264920253 /nfs/dbraw/zinc/92/02/53/264920253.db2.gz OYEJTXXDLPDFPZ-XQQFMLRXSA-N 2 0 326.441 -0.374 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)c1 ZINC000423257089 264991786 /nfs/dbraw/zinc/99/17/86/264991786.db2.gz HLCORHZPFHQTAA-GFCCVEGCSA-N 2 0 333.392 -0.702 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000423262417 264993062 /nfs/dbraw/zinc/99/30/62/264993062.db2.gz MLGCPDKGFHQYQK-UONOGXRCSA-N 2 0 328.457 -0.534 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CC[NH2+]1 ZINC000423394865 265002904 /nfs/dbraw/zinc/00/29/04/265002904.db2.gz SFPJVCCFIZTMJY-KGLIPLIRSA-N 2 0 338.452 -0.482 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CC[NH2+]1 ZINC000423394864 265002949 /nfs/dbraw/zinc/00/29/49/265002949.db2.gz SFPJVCCFIZTMJY-KBPBESRZSA-N 2 0 338.452 -0.482 20 0 EBADRP CN(CC[NH3+])C(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423475779 265006351 /nfs/dbraw/zinc/00/63/51/265006351.db2.gz KNLRLQIBRZMAPC-IYBDPMFKSA-N 2 0 330.432 -0.006 20 0 EBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000423593163 265016484 /nfs/dbraw/zinc/01/64/84/265016484.db2.gz LTWVQSCDPNIHJQ-HNNXBMFYSA-N 2 0 341.500 -0.461 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2C)C1 ZINC000423614802 265020995 /nfs/dbraw/zinc/02/09/95/265020995.db2.gz XOGZZXVSONIMKY-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000423623999 265022866 /nfs/dbraw/zinc/02/28/66/265022866.db2.gz PCYNNMPLRSEVIL-OAHLLOKOSA-N 2 0 341.500 -0.332 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423752822 265041439 /nfs/dbraw/zinc/04/14/39/265041439.db2.gz WSFPIIFGOOPIPQ-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP COCC(C)(C)[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000424218770 265051728 /nfs/dbraw/zinc/05/17/28/265051728.db2.gz WVVJVRGDEKHWKB-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424553046 265076539 /nfs/dbraw/zinc/07/65/39/265076539.db2.gz QVAKSBLNHANJRP-KWCYVHTRSA-N 2 0 336.440 -0.870 20 0 EBADRP CC[C@@H](C(=O)N[C@H]1CC(=O)N(CC[N@H+](C)CCOC)C1)[NH+](C)C ZINC000425311121 265091614 /nfs/dbraw/zinc/09/16/14/265091614.db2.gz FPSITSPDOJIFPQ-KBPBESRZSA-N 2 0 328.457 -0.378 20 0 EBADRP CCOCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430624083 265150324 /nfs/dbraw/zinc/15/03/24/265150324.db2.gz HZEYTFURLHLYTP-KBPBESRZSA-N 2 0 328.457 -0.295 20 0 EBADRP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430624086 265150523 /nfs/dbraw/zinc/15/05/23/265150523.db2.gz HZEYTFURLHLYTP-ZIAGYGMSSA-N 2 0 328.457 -0.295 20 0 EBADRP CCOCCNC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430649345 265152005 /nfs/dbraw/zinc/15/20/05/265152005.db2.gz SHRIWEPJQPFKLZ-CQSZACIVSA-N 2 0 326.441 -0.717 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)COC3C[NH2+]C3)CC2)C1 ZINC000431002680 265158843 /nfs/dbraw/zinc/15/88/43/265158843.db2.gz DQVFXUVKLGTFTN-MRXNPFEDSA-N 2 0 340.468 -0.772 20 0 EBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433136144 265185525 /nfs/dbraw/zinc/18/55/25/265185525.db2.gz KUNRPJCJABWDQR-HNNXBMFYSA-N 3 0 339.484 -0.354 20 0 EBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433391413 265187962 /nfs/dbraw/zinc/18/79/62/265187962.db2.gz RMNCKCXYRGLKPZ-CHWSQXEVSA-N 2 0 349.439 -0.728 20 0 EBADRP C[NH+](C)C[C@](C)(O)CNc1cncc(NC[C@](C)(O)C[NH+](C)C)n1 ZINC000439165084 265263691 /nfs/dbraw/zinc/26/36/91/265263691.db2.gz CIHBZXKGZMEXDO-IYBDPMFKSA-N 2 0 340.472 -0.074 20 0 EBADRP CC[N@H+](CCO)CCNC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000442606446 265325960 /nfs/dbraw/zinc/32/59/60/265325960.db2.gz FSTQLSVIUNXNSK-UHFFFAOYSA-N 2 0 329.489 -0.374 20 0 EBADRP COC[C@]1(C(=O)OC)CC[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000448557214 265389675 /nfs/dbraw/zinc/38/96/75/265389675.db2.gz SXLSUYLYFMEQRG-LRDDRELGSA-N 2 0 341.408 -0.813 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000516570619 272887123 /nfs/dbraw/zinc/88/71/23/272887123.db2.gz CGSQAFGSFSMGAT-QWHCGFSZSA-N 2 0 349.435 -0.019 20 0 EBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCOCC[NH+](C)C ZINC000360271690 288071352 /nfs/dbraw/zinc/07/13/52/288071352.db2.gz KNEOFOJJMJVFBK-KGLIPLIRSA-N 2 0 328.457 -0.521 20 0 EBADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCCS(=O)(=O)N(C)C)C2)CC1 ZINC000107368780 279372393 /nfs/dbraw/zinc/37/23/93/279372393.db2.gz ZTQKBAQNPZATNH-HNNXBMFYSA-N 2 0 332.514 -0.020 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000668659803 545728303 /nfs/dbraw/zinc/72/83/03/545728303.db2.gz YFLVGMOYDRRCNQ-HNNXBMFYSA-N 2 0 338.452 -0.746 20 0 EBADRP CCN(C(=O)C(=O)N[C@H]1CC[NH+](CCOC)C1)[C@@H]1CC[N@H+](C)C1 ZINC000668840207 545768838 /nfs/dbraw/zinc/76/88/38/545768838.db2.gz FGYJTUDBVFPTKW-UONOGXRCSA-N 2 0 326.441 -0.624 20 0 EBADRP CCN(C(=O)C(=O)N[C@@H]1CC[NH+](CCOC)C1)[C@H]1CC[N@H+](CC)C1 ZINC000668843446 545769852 /nfs/dbraw/zinc/76/98/52/545769852.db2.gz RGCVCHXNGABHRM-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000668893861 545784659 /nfs/dbraw/zinc/78/46/59/545784659.db2.gz SKPQSKREYYRJEW-ZIAGYGMSSA-N 2 0 339.484 -0.663 20 0 EBADRP CC1(C)CN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC[NH2+]1 ZINC000669486501 545879439 /nfs/dbraw/zinc/87/94/39/545879439.db2.gz RXUKTGQBCUBQOS-HNNXBMFYSA-N 2 0 339.484 -0.214 20 0 EBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000671032340 545898318 /nfs/dbraw/zinc/89/83/18/545898318.db2.gz AVAVVUSSEHJXEF-AWEZNQCLSA-N 2 0 326.441 -0.575 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000671033639 545899038 /nfs/dbraw/zinc/89/90/38/545899038.db2.gz QJOHKHSMDHVBHL-HNNXBMFYSA-N 2 0 339.484 -0.659 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)CCSC1 ZINC000671071658 545905611 /nfs/dbraw/zinc/90/56/11/545905611.db2.gz DUJVUXAQCQBGRX-SWLSCSKDSA-N 2 0 328.482 -0.250 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1)C[NH+]1CCN(C)CC1 ZINC000671172516 545915780 /nfs/dbraw/zinc/91/57/80/545915780.db2.gz ZLMPIGJMMVFROA-LSDHHAIUSA-N 2 0 339.484 -0.804 20 0 EBADRP C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)CCN1CC[NH2+]CC1 ZINC000320617487 546062403 /nfs/dbraw/zinc/06/24/03/546062403.db2.gz BMSYPHVPKFKVKE-UHFFFAOYSA-N 2 0 342.465 -0.450 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC000667812181 546063447 /nfs/dbraw/zinc/06/34/47/546063447.db2.gz GHBOSOOERGELNY-UONOGXRCSA-N 2 0 325.457 -0.116 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cscn1 ZINC000671957603 546074190 /nfs/dbraw/zinc/07/41/90/546074190.db2.gz QVBYLIAYLGMJBG-UHFFFAOYSA-N 2 0 327.454 -0.289 20 0 EBADRP C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1)[N@H+](C)C1CC1 ZINC000672207766 546085188 /nfs/dbraw/zinc/08/51/88/546085188.db2.gz MPCGRAZSOZOFMD-DYEKYZERSA-N 2 0 326.441 -0.579 20 0 EBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)CC1=O ZINC000673511353 546141192 /nfs/dbraw/zinc/14/11/92/546141192.db2.gz POSDHDFLVVIJIQ-RBSFLKMASA-N 2 0 338.452 -0.936 20 0 EBADRP CC[N@@H+]1CC[C@@H]([NH2+]CCN2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000675816446 546190284 /nfs/dbraw/zinc/19/02/84/546190284.db2.gz CLLLBSFYMCNCSG-HUUCEWRRSA-N 2 0 332.514 -0.117 20 0 EBADRP CCN1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC000677217833 546226839 /nfs/dbraw/zinc/22/68/39/546226839.db2.gz ONDBOWQWOWRDEB-CYBMUJFWSA-N 2 0 336.440 -0.064 20 0 EBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000891563484 582558411 /nfs/dbraw/zinc/55/84/11/582558411.db2.gz HTVPBOLBTBDRHH-OAGGEKHMSA-N 2 0 339.484 -0.038 20 0 EBADRP O=C(NC[C@@H]1CCCC[NH2+]1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891971826 582564616 /nfs/dbraw/zinc/56/46/16/582564616.db2.gz UOFMMXXVUMSSRR-FQUUOJAGSA-N 2 0 337.424 -0.295 20 0 EBADRP O=C(NCC[C@@H]1CC[NH2+]C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891997913 582565576 /nfs/dbraw/zinc/56/55/76/582565576.db2.gz AYLGMPMUFJNCNW-DGAVXFQQSA-N 2 0 337.424 -0.438 20 0 EBADRP CC(C)[C@@H]([NH3+])CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892017919 582565860 /nfs/dbraw/zinc/56/58/60/582565860.db2.gz HESCULVCIZSOBA-RVMXOQNASA-N 2 0 325.413 -0.454 20 0 EBADRP C[C@H](CC[NH3+])NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892053901 582566502 /nfs/dbraw/zinc/56/65/02/582566502.db2.gz OMZNXXFYASZAKB-HUUCEWRRSA-N 2 0 327.473 -0.181 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892079324 582566895 /nfs/dbraw/zinc/56/68/95/582566895.db2.gz VRCXTLCNDUFRTH-KSTCHIGDSA-N 2 0 337.424 -0.439 20 0 EBADRP [NH3+]C/C=C/CNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892124247 582567470 /nfs/dbraw/zinc/56/74/70/582567470.db2.gz YFVKGOAKRMUZNK-YLSAJCSVSA-N 2 0 325.457 -0.403 20 0 EBADRP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892148231 582567851 /nfs/dbraw/zinc/56/78/51/582567851.db2.gz WERMULDCKAKWLZ-LSDHHAIUSA-N 2 0 327.473 -0.181 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000892578854 582582816 /nfs/dbraw/zinc/58/28/16/582582816.db2.gz YIZWRNPRDAUHSF-HDJSIYSDSA-N 2 0 325.457 -0.081 20 0 EBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892765846 582587041 /nfs/dbraw/zinc/58/70/41/582587041.db2.gz HFSPETHKVYOVDS-XJKSGUPXSA-N 2 0 326.441 -0.489 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CCCO1 ZINC000892756490 582587061 /nfs/dbraw/zinc/58/70/61/582587061.db2.gz QHFPPIXBECWNAM-KBPBESRZSA-N 2 0 326.441 -0.096 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000892756093 582587077 /nfs/dbraw/zinc/58/70/77/582587077.db2.gz MOHODDARGABESX-BFHYXJOUSA-N 2 0 326.441 -0.097 20 0 EBADRP C[C@@H](NC(=O)N1CCN(C)CC[N@H+](C)CC1)[C@@H](C)N1CCOCC1 ZINC000892837378 582589232 /nfs/dbraw/zinc/58/92/32/582589232.db2.gz BLJQVTYPXRRLQH-HZPDHXFCSA-N 2 0 341.500 -0.016 20 0 EBADRP CC(C)([NH3+])CCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000892850112 582589255 /nfs/dbraw/zinc/58/92/55/582589255.db2.gz KGQXUKRHOBVNBI-ZDUSSCGKSA-N 2 0 325.457 -0.033 20 0 EBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C3C[NH+]([C@H]4CCOC4)C3)CC2)C1 ZINC000896390507 582662996 /nfs/dbraw/zinc/66/29/96/582662996.db2.gz SGIMGPHVYJXXPH-IRXDYDNUSA-N 2 0 336.480 -0.055 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)C[C@H]1C[NH+](C)C ZINC000899157012 582745995 /nfs/dbraw/zinc/74/59/95/582745995.db2.gz AISIITTZBMIZDX-INMHGKMJSA-N 3 0 338.496 -0.095 20 0 EBADRP C[C@H](CNC(=O)c1cnc(C(=O)NC[C@H](C)[NH+](C)C)cn1)[NH+](C)C ZINC000900164297 582763048 /nfs/dbraw/zinc/76/30/48/582763048.db2.gz YWVZOPBJDSZXKB-TXEJJXNPSA-N 2 0 336.440 -0.164 20 0 EBADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900206912 582764477 /nfs/dbraw/zinc/76/44/77/582764477.db2.gz DUJWVYCFDCVUBM-WMLDXEAASA-N 2 0 341.452 -0.167 20 0 EBADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900206913 582764580 /nfs/dbraw/zinc/76/45/80/582764580.db2.gz DUJWVYCFDCVUBM-YOEHRIQHSA-N 2 0 341.452 -0.167 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000900496258 582770688 /nfs/dbraw/zinc/77/06/88/582770688.db2.gz HHCHBDIAMZMTCN-KEYYUXOJSA-N 2 0 340.468 -0.500 20 0 EBADRP [NH3+][C@@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC[C@H]1C(F)(F)F ZINC000903581218 582812371 /nfs/dbraw/zinc/81/23/71/582812371.db2.gz BODHCLNEBKUJFJ-OPRDCNLKSA-N 2 0 331.360 -0.484 20 0 EBADRP C[NH+](C)CC[C@@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)c1cccnc1 ZINC000903591204 582813728 /nfs/dbraw/zinc/81/37/28/582813728.db2.gz JINBFTQWVSJRCW-HUUCEWRRSA-N 2 0 342.465 -0.018 20 0 EBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000903724591 582814683 /nfs/dbraw/zinc/81/46/83/582814683.db2.gz VQNJNSLMEQVJJF-AWEZNQCLSA-N 2 0 339.484 -0.580 20 0 EBADRP COCCOCCOCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000903713436 582814906 /nfs/dbraw/zinc/81/49/06/582814906.db2.gz QINGTDMOIOYCMV-INIZCTEOSA-N 2 0 343.468 -0.190 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903736268 582815849 /nfs/dbraw/zinc/81/58/49/582815849.db2.gz AYAYHPYDJHUHTH-CYBMUJFWSA-N 3 0 327.473 -0.866 20 0 EBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000903762253 582817391 /nfs/dbraw/zinc/81/73/91/582817391.db2.gz WGVLYLBFXFRTKG-GJZGRUSLSA-N 2 0 338.452 -0.493 20 0 EBADRP O=C(N1CC[NH2+]CC1)N1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903769548 582817885 /nfs/dbraw/zinc/81/78/85/582817885.db2.gz IZWASTNQJIUINN-RDJZCZTQSA-N 2 0 337.468 -0.602 20 0 EBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903792089 582819459 /nfs/dbraw/zinc/81/94/59/582819459.db2.gz FTCDWZJWHJORNN-CQSZACIVSA-N 2 0 341.500 -0.476 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000768726740 583317156 /nfs/dbraw/zinc/31/71/56/583317156.db2.gz KLYNDFGXUAUHDG-CYBMUJFWSA-N 2 0 336.440 -0.016 20 0 EBADRP O=C(NCCCCn1ccnc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000793725091 583569189 /nfs/dbraw/zinc/56/91/89/583569189.db2.gz KAFYSBAUNYFCPK-CABCVRRESA-N 2 0 349.435 -0.241 20 0 EBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000793797171 583570042 /nfs/dbraw/zinc/57/00/42/583570042.db2.gz YSHQCGHIOVIWPC-ZNMIVQPWSA-N 2 0 340.468 -0.188 20 0 EBADRP CNC(=O)[C@]1(C)CC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000797415544 583600795 /nfs/dbraw/zinc/60/07/95/583600795.db2.gz HRMJPBWWSZMFFB-OAHLLOKOSA-N 2 0 337.424 -0.582 20 0 EBADRP CNC(=O)[C@@]1(C)CC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000797415539 583600833 /nfs/dbraw/zinc/60/08/33/583600833.db2.gz HRMJPBWWSZMFFB-HNNXBMFYSA-N 2 0 337.424 -0.582 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[NH+](C)C1CC1 ZINC000804058540 583640278 /nfs/dbraw/zinc/64/02/78/583640278.db2.gz FFFMXKXUKJOETK-YUELXQCFSA-N 2 0 338.452 -0.435 20 0 EBADRP CCNS(=O)(=O)CC[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000817912382 583730948 /nfs/dbraw/zinc/73/09/48/583730948.db2.gz UJOVRNBHLAUENF-LBPRGKRZSA-N 2 0 335.470 -0.163 20 0 EBADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H]2CC[NH+](C)C2)CC1=O ZINC000820848306 583781755 /nfs/dbraw/zinc/78/17/55/583781755.db2.gz QLNSMRUCDCTKCU-UONOGXRCSA-N 2 0 326.441 -0.767 20 0 EBADRP CCO[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)C[NH+](C)C ZINC000831743434 583991011 /nfs/dbraw/zinc/99/10/11/583991011.db2.gz IQYQGGUFKRMPRL-ZIAGYGMSSA-N 2 0 328.457 -0.521 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])[NH+]1CCCCC1 ZINC000842016025 584056328 /nfs/dbraw/zinc/05/63/28/584056328.db2.gz QSSZRAWDGWWZJA-KGLIPLIRSA-N 2 0 325.457 -0.922 20 0 EBADRP [NH3+]C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCCC1 ZINC000842164279 584058433 /nfs/dbraw/zinc/05/84/33/584058433.db2.gz HRGNQOKPFRUECP-ZNMIVQPWSA-N 2 0 338.452 -0.401 20 0 EBADRP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CCCCC1 ZINC000842164299 584058624 /nfs/dbraw/zinc/05/86/24/584058624.db2.gz IEZTXCBRLUGFBM-KGLIPLIRSA-N 2 0 338.452 -0.256 20 0 EBADRP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH3+])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000842177171 584059794 /nfs/dbraw/zinc/05/97/94/584059794.db2.gz AEFWNBSXKVYOSA-LZWOXQAQSA-N 2 0 348.447 -0.145 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC000867315737 584069820 /nfs/dbraw/zinc/06/98/20/584069820.db2.gz ODPUGUJKYZGEGO-RBSFLKMASA-N 2 0 340.468 -0.569 20 0 EBADRP [NH3+]C[C@H]1CC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000843348196 584076527 /nfs/dbraw/zinc/07/65/27/584076527.db2.gz CODOLWWZEPJZFN-GFCCVEGCSA-N 2 0 337.424 -0.057 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N(CCO)C2CC2)C[C@H]1C[NH+](C)C ZINC000867341158 584086190 /nfs/dbraw/zinc/08/61/90/584086190.db2.gz GQKOVKDFMKKCDY-ZIAGYGMSSA-N 2 0 340.468 -0.833 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000844170623 584089452 /nfs/dbraw/zinc/08/94/52/584089452.db2.gz KJUXGOKEUSXGIL-HOCLYGCPSA-N 2 0 340.468 -0.155 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CO)C[C@H]1C[NH+](C)C ZINC000867398808 584116846 /nfs/dbraw/zinc/11/68/46/584116846.db2.gz HGEDWSOLUOWGSK-KFWWJZLASA-N 2 0 340.468 -0.833 20 0 EBADRP C[C@H](O)CN(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867405105 584122633 /nfs/dbraw/zinc/12/26/33/584122633.db2.gz FUVZINVNFOAGMA-BFHYXJOUSA-N 2 0 328.457 -0.977 20 0 EBADRP [NH3+]CCC1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000846327849 584124612 /nfs/dbraw/zinc/12/46/12/584124612.db2.gz DXQGJJPZWXZDDP-HUUCEWRRSA-N 2 0 338.452 -0.447 20 0 EBADRP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccnn1C ZINC000867437814 584130224 /nfs/dbraw/zinc/13/02/24/584130224.db2.gz FEKJLTWBVADBPY-ZDUSSCGKSA-N 2 0 338.456 -0.451 20 0 EBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000848935451 584164195 /nfs/dbraw/zinc/16/41/95/584164195.db2.gz NCTRCRWBDLMJRM-LJISPDSOSA-N 2 0 338.452 -0.747 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852865585 584217741 /nfs/dbraw/zinc/21/77/41/584217741.db2.gz IOMIJNSJERCNBH-LBPRGKRZSA-N 2 0 325.413 -0.897 20 0 EBADRP Cn1cnc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1=O ZINC000888493623 584263556 /nfs/dbraw/zinc/26/35/56/584263556.db2.gz BZXJFWMCIPRJLF-CHWSQXEVSA-N 2 0 336.440 -0.017 20 0 EBADRP [NH3+][C@H](CNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)C1CC1 ZINC000861641970 584332175 /nfs/dbraw/zinc/33/21/75/584332175.db2.gz RSPHRLQHUQSWTP-MCIONIFRSA-N 2 0 337.424 -0.310 20 0 EBADRP CC[NH2+]CCNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861638288 584332243 /nfs/dbraw/zinc/33/22/43/584332243.db2.gz HKRBRLGMILTORP-OLZOCXBDSA-N 2 0 325.413 -0.438 20 0 EBADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000861743589 584336669 /nfs/dbraw/zinc/33/66/69/584336669.db2.gz BPTKQRCZSQLIOV-QWHCGFSZSA-N 2 0 326.441 -0.401 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000861744935 584336829 /nfs/dbraw/zinc/33/68/29/584336829.db2.gz RSWDWRRACMQOQN-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)CCOCC[NH3+])CC1 ZINC000863557900 584373664 /nfs/dbraw/zinc/37/36/64/584373664.db2.gz SNALPNRVZKNHIF-ZDUSSCGKSA-N 2 0 330.429 -0.417 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000863762341 584377479 /nfs/dbraw/zinc/37/74/79/584377479.db2.gz PJAOHLVJRAZSME-QWHCGFSZSA-N 2 0 326.441 -0.496 20 0 EBADRP C[C@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)C1CC[NH2+]CC1 ZINC000866812142 584407088 /nfs/dbraw/zinc/40/70/88/584407088.db2.gz CPMMKOYATVOLSM-AWEZNQCLSA-N 2 0 332.514 -0.069 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000866821918 584407944 /nfs/dbraw/zinc/40/79/44/584407944.db2.gz BXLGWEOAVVYJKK-LSDHHAIUSA-N 2 0 330.498 -0.220 20 0 EBADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)N2CCOCC2)C[C@H]1C[NH+](C)C ZINC000867589174 584411798 /nfs/dbraw/zinc/41/17/98/584411798.db2.gz NAENTMQHKDJTFW-ZIAGYGMSSA-N 2 0 334.486 -0.765 20 0 EBADRP C[C@H](C(=O)N(C)C)S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867589799 584411828 /nfs/dbraw/zinc/41/18/28/584411828.db2.gz JWQPUSPLQMSIIW-MGPQQGTHSA-N 2 0 348.513 -0.536 20 0 EBADRP C[N@@H+]1CC[C@H]2CN(S(=O)(=O)CCCN3CC[NH+](C)CC3)CC[C@H]21 ZINC000867809506 584417922 /nfs/dbraw/zinc/41/79/22/584417922.db2.gz SAJJJPKJTOCQOI-JKSUJKDBSA-N 2 0 344.525 -0.020 20 0 EBADRP CNC(=O)CN1CCC(NC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000868046620 584421653 /nfs/dbraw/zinc/42/16/53/584421653.db2.gz ZVMHPISMGDZYTQ-DZGCQCFKSA-N 2 0 337.468 -0.068 20 0 EBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)CC[C@@H]21 ZINC000868396991 584428159 /nfs/dbraw/zinc/42/81/59/584428159.db2.gz OVVNKDJAXUQUNX-DFEHZGFQSA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(C(F)C(=O)N1CCn2cncc2C1)N1CCn2cncc2C1 ZINC000868444374 584430381 /nfs/dbraw/zinc/43/03/81/584430381.db2.gz KNBVMAGHEJXQNB-UHFFFAOYSA-N 2 0 332.339 -0.198 20 0 EBADRP O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870998089 584450816 /nfs/dbraw/zinc/45/08/16/584450816.db2.gz UDUNCCTWLIZKKY-JEJJNBGPSA-N 2 0 334.420 -0.230 20 0 EBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872302181 584461284 /nfs/dbraw/zinc/46/12/84/584461284.db2.gz QWMJFHZVJZBJCP-IDGJTUAHSA-N 2 0 334.420 -0.208 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cn1 ZINC000874172201 584479816 /nfs/dbraw/zinc/47/98/16/584479816.db2.gz IMTIZSSFNFCQBO-UKRRQHHQSA-N 2 0 348.451 -0.064 20 0 EBADRP CN1CCn2nc(NC(=O)C(=O)N3CC[C@H]4[C@H]3CCC[N@@H+]4C)cc2C1 ZINC000874368607 584481816 /nfs/dbraw/zinc/48/18/16/584481816.db2.gz DMEMYOWFAVVTPD-UONOGXRCSA-N 2 0 346.435 -0.038 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000875088158 584489208 /nfs/dbraw/zinc/48/92/08/584489208.db2.gz YKDGDXFMNJRIGU-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCOC2)C[C@H]1C[NH+](C)C ZINC000875178044 584492468 /nfs/dbraw/zinc/49/24/68/584492468.db2.gz KDMBLPCKSBXNDI-MCIONIFRSA-N 2 0 326.441 -0.911 20 0 EBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000875292583 584496490 /nfs/dbraw/zinc/49/64/90/584496490.db2.gz MDFTVRLCKRPBIO-HOTGVXAUSA-N 2 0 340.468 -0.004 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000876752385 584522058 /nfs/dbraw/zinc/52/20/58/584522058.db2.gz ODXCYDDENZHDCB-AAEUAGOBSA-N 2 0 332.395 -0.161 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876748842 584522099 /nfs/dbraw/zinc/52/20/99/584522099.db2.gz HYBJRDJNAHRHPQ-MELADBBJSA-N 2 0 328.432 -0.007 20 0 EBADRP COC[C@@]1(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[NH2+]CCO1 ZINC000876754793 584522374 /nfs/dbraw/zinc/52/23/74/584522374.db2.gz QKRYUTZVMGBTSJ-QGZVFWFLSA-N 2 0 341.452 -0.247 20 0 EBADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876841070 584524697 /nfs/dbraw/zinc/52/46/97/584524697.db2.gz JQKDVISFCWZTRA-DCAQKATOSA-N 2 0 326.338 -0.114 20 0 EBADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876841071 584524723 /nfs/dbraw/zinc/52/47/23/584524723.db2.gz JQKDVISFCWZTRA-GARJFASQSA-N 2 0 326.338 -0.114 20 0 EBADRP COC[C@@]1(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)C[NH2+]CCO1 ZINC000876850206 584524910 /nfs/dbraw/zinc/52/49/10/584524910.db2.gz LJIMLJMBJCTQBY-LKFCYVNXSA-N 2 0 326.422 -0.097 20 0 EBADRP O=C(/C=C/[C@H]1CCC[NH2+]C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000876995911 584528127 /nfs/dbraw/zinc/52/81/27/584528127.db2.gz JVNFLKISWSSAQF-NHZBNJEXSA-N 2 0 335.452 -0.288 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@]2(C[NH3+])CCCOC2)C[C@H]1C[NH+](C)C ZINC000877144009 584529102 /nfs/dbraw/zinc/52/91/02/584529102.db2.gz DPHYVVRJSIEOOC-BFYDXBDKSA-N 3 0 326.485 -0.060 20 0 EBADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@]23COCCN2C(=O)COC3)CC1 ZINC000877731968 584534372 /nfs/dbraw/zinc/53/43/72/584534372.db2.gz DLQHJKDEVXWXGD-QGZVFWFLSA-N 2 0 341.452 -0.561 20 0 EBADRP O[C@@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000879610005 584554833 /nfs/dbraw/zinc/55/48/33/584554833.db2.gz MGPUOBFREDWUON-BDXSIMOUSA-N 2 0 336.432 -0.458 20 0 EBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000883651334 584605059 /nfs/dbraw/zinc/60/50/59/584605059.db2.gz SOUBJFKXBNLEOL-AWEZNQCLSA-N 2 0 340.468 -0.105 20 0 EBADRP CC[NH+]1CCN(CCNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884233904 584619717 /nfs/dbraw/zinc/61/97/17/584619717.db2.gz CCKMATKROKDRCW-UHFFFAOYSA-N 2 0 346.479 -0.142 20 0 EBADRP CCN(C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)[C@@H]1CC[NH2+]C1 ZINC000884517270 584625646 /nfs/dbraw/zinc/62/56/46/584625646.db2.gz JFRRALQZXOBUJO-OAHLLOKOSA-N 2 0 339.484 -0.661 20 0 EBADRP CCC1([NH3+])CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000884560131 584627216 /nfs/dbraw/zinc/62/72/16/584627216.db2.gz OAQAHPQHRGINOE-KBPBESRZSA-N 2 0 338.452 -0.304 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884559897 584627243 /nfs/dbraw/zinc/62/72/43/584627243.db2.gz IGZWGJAUHNLTJD-KBXIAJHMSA-N 2 0 336.436 -0.681 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000884597696 584628937 /nfs/dbraw/zinc/62/89/37/584628937.db2.gz HGFLBGQYVOIPTJ-OAHLLOKOSA-N 2 0 339.484 -0.530 20 0 EBADRP CCN(C(=O)C(=O)NC[C@H]1CCC[N@@H+]1CCOC)[C@H]1CC[NH2+]C1 ZINC000884603225 584629281 /nfs/dbraw/zinc/62/92/81/584629281.db2.gz FHZIXDALEFNNNU-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000884603354 584629306 /nfs/dbraw/zinc/62/93/06/584629306.db2.gz HXYMMVFDSGFFEV-GRDNDAEWSA-N 2 0 338.452 -0.719 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)[N@H+](C)C1CC1 ZINC000884617878 584629930 /nfs/dbraw/zinc/62/99/30/584629930.db2.gz UIYSGONLRIIOBI-GHMZBOCLSA-N 2 0 332.395 -0.054 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])C[NH+]1CCN(C)CC1 ZINC000884670370 584632631 /nfs/dbraw/zinc/63/26/31/584632631.db2.gz XMHTUPILRWYXED-GJZGRUSLSA-N 2 0 339.484 -0.674 20 0 EBADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000884678538 584633767 /nfs/dbraw/zinc/63/37/67/584633767.db2.gz FFXZAGNSBMDPAM-IUODEOHRSA-N 2 0 331.420 -0.028 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CCN1c1cc[nH+]cc1 ZINC000884706653 584634916 /nfs/dbraw/zinc/63/49/16/584634916.db2.gz KEILIPKOKNXVKK-DOMZBBRYSA-N 2 0 331.420 -0.028 20 0 EBADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000884726450 584636721 /nfs/dbraw/zinc/63/67/21/584636721.db2.gz SNVBQBHHBSQBOO-CQSZACIVSA-N 2 0 338.452 -0.432 20 0 EBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000884787697 584637752 /nfs/dbraw/zinc/63/77/52/584637752.db2.gz ZCHRYERPAACLLM-RYUDHWBXSA-N 2 0 332.395 -0.052 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CCN1c1cc[nH+]cc1 ZINC000884815508 584638524 /nfs/dbraw/zinc/63/85/24/584638524.db2.gz REAFJAGJXXGIGH-KBPBESRZSA-N 2 0 347.419 -0.777 20 0 EBADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000884816237 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650143181 /nfs/dbraw/zinc/14/31/81/650143181.db2.gz DIKLYAIZRDIQBK-KRWDZBQOSA-N 2 0 340.468 -0.463 20 0 EBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000910980512 650143855 /nfs/dbraw/zinc/14/38/55/650143855.db2.gz ZVVNTWYSVNBXDQ-CYBMUJFWSA-N 2 0 328.457 -0.201 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CC1 ZINC000911002971 650144591 /nfs/dbraw/zinc/14/45/91/650144591.db2.gz DVJGSHKXPAKSGC-KRWDZBQOSA-N 2 0 338.452 -0.432 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000911013930 650145592 /nfs/dbraw/zinc/14/55/92/650145592.db2.gz FPEHMVPWCIUHIF-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000911013980 650145851 /nfs/dbraw/zinc/14/58/51/650145851.db2.gz GMJXCQYCXBZKBF-XJKSGUPXSA-N 2 0 326.441 -0.853 20 0 EBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000911027948 650146222 /nfs/dbraw/zinc/14/62/22/650146222.db2.gz 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ZINC000911337354 650172180 /nfs/dbraw/zinc/17/21/80/650172180.db2.gz RQBJGJXZBZBPQC-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH2+]C[C@H]2CCOC)C1 ZINC000911337355 650172403 /nfs/dbraw/zinc/17/24/03/650172403.db2.gz RQBJGJXZBZBPQC-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)C[NH+](C)C ZINC000911346495 650173193 /nfs/dbraw/zinc/17/31/93/650173193.db2.gz PBVPCGNJGYMGGG-CHWSQXEVSA-N 2 0 326.441 -0.530 20 0 EBADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)NCCN3CCC([NH3+])CC3)CC[C@H]21 ZINC000911411152 650179800 /nfs/dbraw/zinc/17/98/00/650179800.db2.gz KHHGCKKDHPKHGB-DZGCQCFKSA-N 2 0 337.468 -0.922 20 0 EBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911412520 650180234 /nfs/dbraw/zinc/18/02/34/650180234.db2.gz NEMDXNJUHRSPNW-UHFFFAOYSA-N 2 0 341.500 -0.428 20 0 EBADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN3CCSC[C@@H]23)C1 ZINC000911419367 650181790 /nfs/dbraw/zinc/18/17/90/650181790.db2.gz MSWXQJNOWICGQL-IHRRRGAJSA-N 2 0 340.493 -0.250 20 0 EBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C[NH+](C)C)OCC ZINC000911433925 650183431 /nfs/dbraw/zinc/18/34/31/650183431.db2.gz FERPTCQJRUMVHS-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])C[NH+](C)C ZINC000911433935 650183469 /nfs/dbraw/zinc/18/34/69/650183469.db2.gz FJWFYTLHWTVPEZ-NUEKZKHPSA-N 2 0 348.447 -0.190 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC[C@H]2CC[C@@]21C[NH3+])C[NH+](C)C ZINC000911433945 650183552 /nfs/dbraw/zinc/18/35/52/650183552.db2.gz FSDWUBMXTWOUPC-JJRVBVJISA-N 2 0 340.468 -0.201 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CC[NH2+]CCC12CCC2)C[NH+](C)C ZINC000911436473 650183977 /nfs/dbraw/zinc/18/39/77/650183977.db2.gz SWMLMSHWTZDGDS-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)C[NH+](C)C ZINC000911436529 650184012 /nfs/dbraw/zinc/18/40/12/650184012.db2.gz UZTSGMOMEGQPJM-BFHYXJOUSA-N 2 0 326.441 -0.863 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+])C[NH+](C)C ZINC000911435426 650184032 /nfs/dbraw/zinc/18/40/32/650184032.db2.gz MPFNMQFHXBDIOA-IOASZLSFSA-N 2 0 326.441 -0.591 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2)C[NH+](C)C ZINC000911437093 650184051 /nfs/dbraw/zinc/18/40/51/650184051.db2.gz XSOHJCPVTKVBLB-CZUORRHYSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000911487561 650188169 /nfs/dbraw/zinc/18/81/69/650188169.db2.gz VFWLBVFWOSXZKA-XQLPTFJDSA-N 2 0 340.468 -0.155 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCC2([NH3+])CC2)C1 ZINC000911503572 650188761 /nfs/dbraw/zinc/18/87/61/650188761.db2.gz AZNLKWJGQCEHEI-ZDUSSCGKSA-N 2 0 326.441 -0.447 20 0 EBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000911519607 650189683 /nfs/dbraw/zinc/18/96/83/650189683.db2.gz CAMADRMUEIMPDQ-AWEZNQCLSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000911545522 650192558 /nfs/dbraw/zinc/19/25/58/650192558.db2.gz PPSRHLWIURQWKL-CZUORRHYSA-N 2 0 326.441 -0.588 20 0 EBADRP [NH3+][C@@H]1CCc2cc(C(=O)NCCCN3CC[NH2+]CC3)ccc2NC1=O ZINC000911631130 650194795 /nfs/dbraw/zinc/19/47/95/650194795.db2.gz YQKPJHFZNRPDHA-OAHLLOKOSA-N 2 0 345.447 -0.076 20 0 EBADRP C[NH+]1CCCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000913915446 650248621 /nfs/dbraw/zinc/24/86/21/650248621.db2.gz DEOIULLQIGRSJG-KFWWJZLASA-N 2 0 340.468 -0.452 20 0 EBADRP Cn1ncc2c1ncnc2N1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923318926 650338279 /nfs/dbraw/zinc/33/82/79/650338279.db2.gz JJJWGQOIZPMJGA-ZDUSSCGKSA-N 2 0 343.435 -0.136 20 0 EBADRP C[N@@H+]1CC[C@H]1CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000922872723 650334804 /nfs/dbraw/zinc/33/48/04/650334804.db2.gz NMTLVWOJOVZAOR-HNNXBMFYSA-N 2 0 339.484 -0.214 20 0 EBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000923374809 650338387 /nfs/dbraw/zinc/33/83/87/650338387.db2.gz CQBHDKLRKPMGLR-GJZGRUSLSA-N 2 0 326.445 -0.687 20 0 EBADRP C[NH+](C)C1(CNC(=O)N2CCO[C@@H](CN3CC[NH+](C)CC3)C2)CC1 ZINC000923006083 650335645 /nfs/dbraw/zinc/33/56/45/650335645.db2.gz DKOYZUQKCHLUMG-HNNXBMFYSA-N 2 0 339.484 -0.262 20 0 EBADRP C[C@@H](NC(=O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1)C(=O)N(C)C ZINC000923448306 650341314 /nfs/dbraw/zinc/34/13/14/650341314.db2.gz BNHIKBKHSABYSW-OLZOCXBDSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@H]1C[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[C@@H]1C[NH3+] ZINC000923499250 650342011 /nfs/dbraw/zinc/34/20/11/650342011.db2.gz RRTFRUQSPFAEFT-LSDHHAIUSA-N 2 0 339.484 -0.865 20 0 EBADRP C[C@@H]1C[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC[C@H]1C[NH3+] ZINC000923499243 650342261 /nfs/dbraw/zinc/34/22/61/650342261.db2.gz RRTFRUQSPFAEFT-CABCVRRESA-N 2 0 339.484 -0.865 20 0 EBADRP C[C@H]1C[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC[C@@H]1C[NH3+] ZINC000923496150 650342298 /nfs/dbraw/zinc/34/22/98/650342298.db2.gz HGBWICUOVGMGEX-NWDGAFQWSA-N 2 0 334.424 -0.650 20 0 EBADRP CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000923618623 650348075 /nfs/dbraw/zinc/34/80/75/650348075.db2.gz ATVZYLPQWQRVCQ-HUUCEWRRSA-N 2 0 332.514 -0.069 20 0 EBADRP CCOC[C@@H](O)CN1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000923616328 650348244 /nfs/dbraw/zinc/34/82/44/650348244.db2.gz OWAZZQHZPBXBDF-UONOGXRCSA-N 2 0 335.470 -0.917 20 0 EBADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923652268 650350338 /nfs/dbraw/zinc/35/03/38/650350338.db2.gz KLTJVTAQVZTWMR-MCIONIFRSA-N 2 0 332.470 -0.503 20 0 EBADRP O=S(=O)(NCc1cc(O[C@@H]2CC[NH2+]C2)ccn1)N1CC[NH2+]CC1 ZINC000923650316 650350672 /nfs/dbraw/zinc/35/06/72/650350672.db2.gz NKSATVZSUOKNGQ-CQSZACIVSA-N 2 0 341.437 -0.938 20 0 EBADRP C[N@@H+]1C[C@H](O)C[C@H]1CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000924985077 650371233 /nfs/dbraw/zinc/37/12/33/650371233.db2.gz GBOSMEBPYTWBLP-LSDHHAIUSA-N 2 0 333.436 -0.372 20 0 EBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000925168043 650374108 /nfs/dbraw/zinc/37/41/08/650374108.db2.gz GGATWFMWAHLTDZ-MJBXVCDLSA-N 2 0 328.482 -0.068 20 0 EBADRP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000926344172 650387410 /nfs/dbraw/zinc/38/74/10/650387410.db2.gz IWZWFNLYIHUHDF-YOEHRIQHSA-N 2 0 338.452 -0.757 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C[C@H]1C ZINC000926342524 650387485 /nfs/dbraw/zinc/38/74/85/650387485.db2.gz AGBGJJWGNMJWHP-KEYYUXOJSA-N 2 0 340.468 -0.370 20 0 EBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926340933 650387576 /nfs/dbraw/zinc/38/75/76/650387576.db2.gz APZSGDSFDQLMNY-OAHLLOKOSA-N 2 0 339.484 -0.659 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000926299953 650385289 /nfs/dbraw/zinc/38/52/89/650385289.db2.gz SDRBHJNXUXYJMT-CQSZACIVSA-N 2 0 340.468 -0.247 20 0 EBADRP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000926344158 650387665 /nfs/dbraw/zinc/38/76/65/650387665.db2.gz IWZWFNLYIHUHDF-PBHICJAKSA-N 2 0 338.452 -0.757 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000926332049 650386538 /nfs/dbraw/zinc/38/65/38/650386538.db2.gz HPALVMKOTKQDEL-KRWDZBQOSA-N 2 0 340.468 -0.232 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)CCO1 ZINC000926332496 650386653 /nfs/dbraw/zinc/38/66/53/650386653.db2.gz GEDVKTYNRPIIEL-PBHICJAKSA-N 2 0 338.452 -0.480 20 0 EBADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000926347225 650388201 /nfs/dbraw/zinc/38/82/01/650388201.db2.gz DTYSJQQCDKTOLO-JONQDZQNSA-N 2 0 334.464 -0.003 20 0 EBADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926349093 650388308 /nfs/dbraw/zinc/38/83/08/650388308.db2.gz SXXSBQUUZWPWRV-KRWDZBQOSA-N 2 0 342.484 -0.121 20 0 EBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000926350969 650388470 /nfs/dbraw/zinc/38/84/70/650388470.db2.gz IAOWXEBKWHKCQV-OAHLLOKOSA-N 2 0 339.484 -0.802 20 0 EBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926361669 650389327 /nfs/dbraw/zinc/38/93/27/650389327.db2.gz QXLUYSIFYHLAID-CABCVRRESA-N 2 0 337.468 -0.907 20 0 EBADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)[N@H+](C)C1 ZINC000926402134 650391264 /nfs/dbraw/zinc/39/12/64/650391264.db2.gz UCMYNKHXDAJCGF-ZQDZILKHSA-N 2 0 338.452 -0.626 20 0 EBADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[C@@H](C[NH3+])[C@H](C)C2)[N@H+](C)C1 ZINC000926420922 650392227 /nfs/dbraw/zinc/39/22/27/650392227.db2.gz YVAVAONXBQPSLN-QPSCCSFWSA-N 2 0 340.468 -0.393 20 0 EBADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000927880478 651510447 /nfs/dbraw/zinc/51/04/47/651510447.db2.gz VPCKYUZCHIBXHB-UHFFFAOYSA-N 2 0 347.463 -0.249 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)NC1CC[NH+](CC)CC1)C[NH+](C)C ZINC000929197406 651536467 /nfs/dbraw/zinc/53/64/67/651536467.db2.gz DLDWRLGHBNYMMI-AWEZNQCLSA-N 2 0 328.457 -0.330 20 0 EBADRP O[C@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)C[C@@]1(O)CCOC1 ZINC000929282776 651540932 /nfs/dbraw/zinc/54/09/32/651540932.db2.gz DKNXLRAAGZAOGZ-IRXDYDNUSA-N 2 0 328.453 -0.067 20 0 EBADRP O[C@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)C1(O)CCOCC1 ZINC000929285251 651541016 /nfs/dbraw/zinc/54/10/16/651541016.db2.gz ZWDBZBJINVVKAR-MRXNPFEDSA-N 2 0 328.453 -0.067 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)C[NH+](C)C ZINC000929399890 651545917 /nfs/dbraw/zinc/54/59/17/651545917.db2.gz WURXCMOWFWLZOM-HUUCEWRRSA-N 2 0 342.484 -0.083 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)C[NH+](C)C ZINC000929508582 651551200 /nfs/dbraw/zinc/55/12/00/651551200.db2.gz CPJPZSUQBRAIDG-DZGCQCFKSA-N 2 0 340.468 -0.330 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000929893484 651570115 /nfs/dbraw/zinc/57/01/15/651570115.db2.gz VHAJRTIDUHZXQU-UHFFFAOYSA-N 2 0 328.457 -0.471 20 0 EBADRP CN(CC[N@H+](C)C[C@H](O)C[C@@]1(O)CCOC1)C1CC[NH+](C)CC1 ZINC000930113071 651583986 /nfs/dbraw/zinc/58/39/86/651583986.db2.gz IKQQANWTZCKBTL-SJORKVTESA-N 2 0 329.485 -0.153 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CCC[N@H+](CC)CC1)C[NH+](C)C ZINC000932469030 651682746 /nfs/dbraw/zinc/68/27/46/651682746.db2.gz OKKDUOLYIIQLHE-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000932952408 651703242 /nfs/dbraw/zinc/70/32/42/651703242.db2.gz KKVAIZOPGXFFCY-ZFWWWQNUSA-N 2 0 338.452 -0.434 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCN(C2C[NH+](CCCO)C2)CC1 ZINC000941408620 652720613 /nfs/dbraw/zinc/72/06/13/652720613.db2.gz NGVRWZFZQZXWPT-QGZVFWFLSA-N 2 0 336.480 -0.461 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCN(C3C[NH+](C[C@@H]4CCOC4)C3)CC2)C1 ZINC000941666204 652868739 /nfs/dbraw/zinc/86/87/39/652868739.db2.gz QMKHMSYCAASCAC-HOTGVXAUSA-N 2 0 336.480 -0.197 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCN(C3C[NH+](C[C@H]4CCOC4)C3)CC2)C1 ZINC000941666205 652869062 /nfs/dbraw/zinc/86/90/62/652869062.db2.gz QMKHMSYCAASCAC-HZPDHXFCSA-N 2 0 336.480 -0.197 20 0 EBADRP CC[C@H](C(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1)[NH+](C)C ZINC000946924898 653270386 /nfs/dbraw/zinc/27/03/86/653270386.db2.gz LEURXWMPGWOSSQ-QWHCGFSZSA-N 2 0 326.441 -0.842 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1)C1CC1 ZINC000946924905 653270464 /nfs/dbraw/zinc/27/04/64/653270464.db2.gz LGTZWTJPXNDLMZ-KBPBESRZSA-N 2 0 338.452 -0.842 20 0 EBADRP C[N@H+](CC(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1)C1CCC1 ZINC000946925039 653271104 /nfs/dbraw/zinc/27/11/04/653271104.db2.gz LQERLJULYSPWOH-AWEZNQCLSA-N 2 0 338.452 -0.698 20 0 EBADRP CN1CC[C@H]([NH2+]CC2(O)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC000946932835 653276869 /nfs/dbraw/zinc/27/68/69/653276869.db2.gz NMXAAJJDYBPQTB-KGLIPLIRSA-N 2 0 338.452 -0.888 20 0 EBADRP C[C@H]1C[N@H+](CCN2CCNC2=O)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944918991 653289474 /nfs/dbraw/zinc/28/94/74/653289474.db2.gz LYIBBPXAZDVXHW-GJZGRUSLSA-N 2 0 337.468 -0.066 20 0 EBADRP Cc1cncn1CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC000952407070 654453417 /nfs/dbraw/zinc/45/34/17/654453417.db2.gz AXGSFAJEAKJSRJ-YUELXQCFSA-N 2 0 349.435 -0.515 20 0 EBADRP Cn1nnnc1C[NH2+]C1CC2(CC(NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000965850408 724532237 /nfs/dbraw/zinc/53/22/37/724532237.db2.gz QCQYODFTDSTNHD-UHFFFAOYSA-N 2 0 345.451 -0.177 20 0 EBADRP c1cc(N2CCN3CC[NH2+]C[C@H]3C2)nnc1OCC1CC[NH2+]CC1 ZINC001164400547 718842304 /nfs/dbraw/zinc/84/23/04/718842304.db2.gz ZMCFYSAVMRFCGY-HNNXBMFYSA-N 2 0 332.452 -0.051 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2CC3(C2)CC([NH2+][C@@H]2CCC(=O)NC2=O)C3)C1 ZINC000965915039 724539418 /nfs/dbraw/zinc/53/94/18/724539418.db2.gz CARLFEPLNBZQPO-XFJUFTRVSA-N 2 0 348.447 -0.240 20 0 EBADRP COCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000958248792 722333511 /nfs/dbraw/zinc/33/35/11/722333511.db2.gz OUDCBWXZBJBJTC-XJKSGUPXSA-N 2 0 345.403 -0.064 20 0 EBADRP O=C(NC[C@@H]1C[N@H+](CCO)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC000958581928 722395036 /nfs/dbraw/zinc/39/50/36/722395036.db2.gz VPFMLRDBQCYCJB-HZPDHXFCSA-N 2 0 325.453 -0.490 20 0 EBADRP CC[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1)[NH+](C)C ZINC000958850944 722618622 /nfs/dbraw/zinc/61/86/22/722618622.db2.gz WNEBYZZOYQLANY-KBXIAJHMSA-N 2 0 340.468 -0.692 20 0 EBADRP CN(C(=O)C[NH+]1CCCC1)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000958851471 722619348 /nfs/dbraw/zinc/61/93/48/722619348.db2.gz UHUHCXZOPNTPQS-ILXRZTDVSA-N 2 0 338.452 -0.794 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21)[C@H]1C[NH+]2CCC1CC2 ZINC000959919487 722775254 /nfs/dbraw/zinc/77/52/54/722775254.db2.gz IWBIKBFWDAZDRT-CAOSSQGBSA-N 2 0 347.463 -0.600 20 0 EBADRP C[C@@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cn2c(n1)CCCC2 ZINC000960002792 722782051 /nfs/dbraw/zinc/78/20/51/722782051.db2.gz MMYIQVSEBRSBLP-CNXAATOLSA-N 2 0 331.420 -0.318 20 0 EBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1)C(N)=O ZINC001019039009 728779147 /nfs/dbraw/zinc/77/91/47/728779147.db2.gz MWGPSCBWXYAWLX-STQMWFEESA-N 2 0 326.441 -0.591 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001019046205 728781048 /nfs/dbraw/zinc/78/10/48/728781048.db2.gz VFXUYGUIJQKQCG-KBPBESRZSA-N 2 0 336.436 -0.190 20 0 EBADRP Cn1nnnc1C[NH2+]CC1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000961840356 723096866 /nfs/dbraw/zinc/09/68/66/723096866.db2.gz CGVDCYIYUXZIIV-UXUKBGGZSA-N 2 0 333.440 -0.464 20 0 EBADRP Cn1[nH]c(C[NH2+]CC2CC(NC(=O)[C@H]3CCCC[N@@H+]3C)C2)nc1=O ZINC000961994570 723142235 /nfs/dbraw/zinc/14/22/35/723142235.db2.gz ZSRAXMIWAKKRKC-WXRRBKDZSA-N 2 0 336.440 -0.423 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC000962767085 723321041 /nfs/dbraw/zinc/32/10/41/723321041.db2.gz UQTFZLORZFZEEC-QXSJWSMHSA-N 2 0 349.479 -0.068 20 0 EBADRP Cn1cc(C[NH2+][C@H]2CCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)cn1 ZINC001019168409 728814616 /nfs/dbraw/zinc/81/46/16/728814616.db2.gz AOBYPHVJQOXFIA-ZWEVUMDMSA-N 2 0 345.447 -0.026 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC000964128058 723824951 /nfs/dbraw/zinc/82/49/51/723824951.db2.gz LVHVLFMPZILKQZ-LSDHHAIUSA-N 2 0 338.452 -0.480 20 0 EBADRP C[NH+](C)Cc1ccoc1C(=O)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001019297558 728852099 /nfs/dbraw/zinc/85/20/99/728852099.db2.gz AEGXURBSAROEHR-STQMWFEESA-N 2 0 348.403 -0.050 20 0 EBADRP CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1)[NH+](C)C ZINC001019342959 728863958 /nfs/dbraw/zinc/86/39/58/728863958.db2.gz QDTUXOPNORXQSZ-UONOGXRCSA-N 2 0 325.457 -0.212 20 0 EBADRP CC[C@@H]([NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1)C(N)=O ZINC000968719167 725109482 /nfs/dbraw/zinc/10/94/82/725109482.db2.gz KVENLBGEMHRRCP-CHWSQXEVSA-N 2 0 336.440 -0.487 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC000968728725 725109853 /nfs/dbraw/zinc/10/98/53/725109853.db2.gz WCYKTCQTSWITEJ-RBSFLKMASA-N 2 0 338.452 -0.624 20 0 EBADRP CN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1=O ZINC001019576098 728926316 /nfs/dbraw/zinc/92/63/16/728926316.db2.gz CMRQHRDXMNMDRU-DZGCQCFKSA-N 2 0 338.452 -0.482 20 0 EBADRP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000969301712 725169267 /nfs/dbraw/zinc/16/92/67/725169267.db2.gz UPTVSLUUUNKQDU-OCCSQVGLSA-N 2 0 340.387 -0.040 20 0 EBADRP Cn1cc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)cn1 ZINC000969407268 725177270 /nfs/dbraw/zinc/17/72/70/725177270.db2.gz AOBYPHVJQOXFIA-FVWRDLLJSA-N 2 0 345.447 -0.026 20 0 EBADRP C[C@H](NC(=O)[C@@H]1CN(C)CCO1)C1C[NH+](Cc2ccn(C)c(=O)c2)C1 ZINC000969442951 725181375 /nfs/dbraw/zinc/18/13/75/725181375.db2.gz VKWMGZXTHQBTLQ-BBRMVZONSA-N 2 0 348.447 -0.348 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC000969949614 725231267 /nfs/dbraw/zinc/23/12/67/725231267.db2.gz WHSXBGHEWYHBAB-UONOGXRCSA-N 2 0 336.436 -0.190 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC000969956515 725231818 /nfs/dbraw/zinc/23/18/18/725231818.db2.gz XWCKUTGQFIEEBK-CHWSQXEVSA-N 2 0 337.424 -0.930 20 0 EBADRP CC1CC[NH+](CC(=O)N2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)CC1 ZINC000970335492 725279104 /nfs/dbraw/zinc/27/91/04/725279104.db2.gz PGMGLAJLIDGWPE-OAHLLOKOSA-N 2 0 337.468 -0.066 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC000970498475 725296034 /nfs/dbraw/zinc/29/60/34/725296034.db2.gz BUHQJRZVMNMLQX-YPMHNXCESA-N 2 0 345.403 -0.243 20 0 EBADRP C[C@@H](C(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000971555642 725420995 /nfs/dbraw/zinc/42/09/95/725420995.db2.gz HWQBCJSCHNCZII-QWHCGFSZSA-N 2 0 336.440 -0.535 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC000971561221 725421619 /nfs/dbraw/zinc/42/16/19/725421619.db2.gz TYRXEOKAGLMGEL-JHJVBQTASA-N 2 0 336.440 -0.519 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCN2CCNC2=O)C1)C1CC1 ZINC000971681050 725430057 /nfs/dbraw/zinc/43/00/57/725430057.db2.gz BDXDIGVLVBODGK-CABCVRRESA-N 2 0 337.468 -0.116 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@H]([N@H+](C)[C@@H]3CCNC3=O)C2)cn1 ZINC000972522182 725540593 /nfs/dbraw/zinc/54/05/93/725540593.db2.gz HTRBAYPSRQRFFT-LSDHHAIUSA-N 2 0 348.451 -0.521 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000991725782 725580150 /nfs/dbraw/zinc/58/01/50/725580150.db2.gz ZZMKGXWCMSQZRY-CYBMUJFWSA-N 2 0 348.451 -0.663 20 0 EBADRP C[N@H+](CCN1C(=O)CCC1=O)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972739500 725589058 /nfs/dbraw/zinc/58/90/58/725589058.db2.gz FUODCKIGBMRWQD-CQSZACIVSA-N 2 0 348.447 -0.236 20 0 EBADRP C[N@H+](CCN1C(=O)CCC1=O)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000972739499 725589253 /nfs/dbraw/zinc/58/92/53/725589253.db2.gz FUODCKIGBMRWQD-AWEZNQCLSA-N 2 0 348.447 -0.236 20 0 EBADRP O=C(NC1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000991884767 725665928 /nfs/dbraw/zinc/66/59/28/725665928.db2.gz QZTKSFWBVHITOM-SJORKVTESA-N 2 0 346.475 -0.003 20 0 EBADRP O=C(Cc1ncc[nH]1)N[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000973354429 725717915 /nfs/dbraw/zinc/71/79/15/725717915.db2.gz HOVWDTFEWWQFAG-AAVRWANBSA-N 2 0 347.419 -0.421 20 0 EBADRP O=C(N[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)C12CC[NH+](CC1)C2 ZINC000974327626 725946060 /nfs/dbraw/zinc/94/60/60/725946060.db2.gz DUCPXTAHHPTYGO-OKILXGFUSA-N 2 0 332.448 -0.059 20 0 EBADRP O=C(N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1)C12CCC[NH+]1CCC2 ZINC001051697307 735332716 /nfs/dbraw/zinc/33/27/16/735332716.db2.gz BBKXXSQIPKGKOK-UONOGXRCSA-N 2 0 336.436 -0.680 20 0 EBADRP Cn1cc(CN[C@H]2CN(C(=O)[C@@H]3CN(C)CCO3)CC2(C)C)nn1 ZINC000995610382 726279660 /nfs/dbraw/zinc/27/96/60/726279660.db2.gz ZZIUOWDUVRUBTD-KBPBESRZSA-N 2 0 336.440 -0.528 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)C[C@H]32)C1 ZINC000976539898 726340203 /nfs/dbraw/zinc/34/02/03/726340203.db2.gz LBWPSRWJTBEWNN-ALYAQQCSSA-N 2 0 346.475 -0.147 20 0 EBADRP C[NH+](C)C1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC000976541535 726340664 /nfs/dbraw/zinc/34/06/64/726340664.db2.gz RFFMAYJLWKGXFJ-KBXIAJHMSA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCCC2)C1 ZINC000976546479 726343717 /nfs/dbraw/zinc/34/37/17/726343717.db2.gz MFJSFUQPQUQQHD-BSXFFOKHSA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC1(C)C)C(N)=O ZINC000996473679 726402177 /nfs/dbraw/zinc/40/21/77/726402177.db2.gz VWEYRIBKDFXTKB-GXTWGEPZSA-N 2 0 340.468 -0.202 20 0 EBADRP CC(C)(C(=O)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1)[NH+]1CCCC1 ZINC001051749647 735370300 /nfs/dbraw/zinc/37/03/00/735370300.db2.gz HVAPOSOENOAMEO-KGLIPLIRSA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CCN3CCNC3=O)CC2)CC[N@@H+]1C ZINC000996606426 726419914 /nfs/dbraw/zinc/41/99/14/726419914.db2.gz IOJAGUKMQOTNTL-UKRRQHHQSA-N 2 0 337.468 -0.068 20 0 EBADRP Cn1[nH]c(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)nc1=O ZINC000996610114 726419922 /nfs/dbraw/zinc/41/99/22/726419922.db2.gz JQYBKRYVPVVJFD-VXGBXAGGSA-N 2 0 336.440 -0.613 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1)[NH+](C)C ZINC000996690969 726422605 /nfs/dbraw/zinc/42/26/05/726422605.db2.gz GMYDTNJPOJAKSM-HIFRSBDPSA-N 2 0 338.452 -0.042 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCC([NH2+][C@H]3CCC(=O)NC3=O)CC2)CC1 ZINC000996946010 726433636 /nfs/dbraw/zinc/43/36/36/726433636.db2.gz MWYQTDGAOSAJKQ-AWEZNQCLSA-N 2 0 336.436 -0.286 20 0 EBADRP CC[C@@H](C(=O)N1CCC([NH2+]CCN2CCNC2=O)CC1)[NH+](C)C ZINC000997011678 726434783 /nfs/dbraw/zinc/43/47/83/726434783.db2.gz CKIYVPXKXAWKKN-AWEZNQCLSA-N 2 0 325.457 -0.068 20 0 EBADRP O=C(C[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1)N1CCOCC1 ZINC000997306681 726445690 /nfs/dbraw/zinc/44/56/90/726445690.db2.gz HXRNXFPBLTZNBC-UHFFFAOYSA-N 2 0 338.452 -0.478 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2nnnn2C)CC1 ZINC000998080888 726475069 /nfs/dbraw/zinc/47/50/69/726475069.db2.gz FJOVUNKTFBNAFN-TZMCWYRMSA-N 2 0 335.456 -0.264 20 0 EBADRP Cn1[nH]c(C[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)nc1=O ZINC000998267935 726483020 /nfs/dbraw/zinc/48/30/20/726483020.db2.gz ALQOMUDGAJACRD-UHFFFAOYSA-N 2 0 336.440 -0.468 20 0 EBADRP NC(=O)C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C(F)(F)F ZINC000998304920 726484236 /nfs/dbraw/zinc/48/42/36/726484236.db2.gz PQGMVTXTUNSDLI-QWRGUYRKSA-N 2 0 348.369 -0.064 20 0 EBADRP C[NH+](C)C1(C(=O)N2CCC[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CCC1 ZINC000999346874 726515277 /nfs/dbraw/zinc/51/52/77/726515277.db2.gz GZVRSDHFVUNXNG-STQMWFEESA-N 2 0 336.436 -0.144 20 0 EBADRP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]Cc2nnc3n2CCOC3)C1 ZINC000999834791 726534308 /nfs/dbraw/zinc/53/43/08/726534308.db2.gz WIRKOPNTRSTWES-UHFFFAOYSA-N 2 0 348.451 -0.017 20 0 EBADRP C[C@H](O)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001000037131 726552250 /nfs/dbraw/zinc/55/22/50/726552250.db2.gz ZDCSPJPZTVXHFD-DZGCQCFKSA-N 2 0 348.451 -0.382 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1)C(N)=O ZINC001000435632 726566938 /nfs/dbraw/zinc/56/69/38/726566938.db2.gz ZRUIFFNQIDHZLM-OCCSQVGLSA-N 2 0 336.440 -0.487 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1)C(N)=O ZINC001000572313 726571561 /nfs/dbraw/zinc/57/15/61/726571561.db2.gz NRFHUDCDIHTICI-OLZOCXBDSA-N 2 0 326.441 -0.448 20 0 EBADRP CCN1CCO[C@H](C(=O)N2CCC[C@@H](NCc3ncnn3C)C2)C1 ZINC001000969439 726585660 /nfs/dbraw/zinc/58/56/60/726585660.db2.gz LOGYXYNYOYUOBE-KGLIPLIRSA-N 2 0 336.440 -0.384 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)C1 ZINC001002119476 726633289 /nfs/dbraw/zinc/63/32/89/726633289.db2.gz AOVFEVBSNHXSEP-KBPBESRZSA-N 2 0 336.436 -0.429 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001003160431 726662509 /nfs/dbraw/zinc/66/25/09/726662509.db2.gz POOLDVBSFZLZBF-KBPBESRZSA-N 2 0 336.436 -0.144 20 0 EBADRP C[NH+]1CCC(C(=O)NC2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)CC1 ZINC001003546790 726679030 /nfs/dbraw/zinc/67/90/30/726679030.db2.gz ANQDRKXFHWXUNI-AWEZNQCLSA-N 2 0 336.436 -0.286 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](CCN3C(=O)CCC3=O)CC2)C1 ZINC001004149515 726701541 /nfs/dbraw/zinc/70/15/41/726701541.db2.gz KIRDRXHARPICCM-ZDUSSCGKSA-N 2 0 336.436 -0.332 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]32)C1 ZINC001009084587 726855332 /nfs/dbraw/zinc/85/53/32/726855332.db2.gz PWPCZTZHEWDTKC-FPCVCCKLSA-N 2 0 334.464 -0.146 20 0 EBADRP Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001051800888 735404063 /nfs/dbraw/zinc/40/40/63/735404063.db2.gz GFYNVXYLZPJNPS-HNNXBMFYSA-N 2 0 336.440 -0.526 20 0 EBADRP O=C(N1CCO[C@@H](C[NH2+]Cc2cnns2)C1)C12CC[NH+](CC1)C2 ZINC001051904476 735455940 /nfs/dbraw/zinc/45/59/40/735455940.db2.gz NTBHXFCSPXHWSL-LBPRGKRZSA-N 2 0 337.449 -0.049 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnns3)C2)C1 ZINC001051932424 735470486 /nfs/dbraw/zinc/47/04/86/735470486.db2.gz QCFAZBVEEMRZFF-NEPJUHHUSA-N 2 0 325.438 -0.193 20 0 EBADRP O=C(CC[NH+]1CCCCC1)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051943121 735477192 /nfs/dbraw/zinc/47/71/92/735477192.db2.gz ITOSEILKYRPQFA-CABCVRRESA-N 2 0 338.452 -0.432 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001014484217 727960966 /nfs/dbraw/zinc/96/09/66/727960966.db2.gz QITIISNUMWARLX-MGPQQGTHSA-N 2 0 336.436 -0.334 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CC12CC[NH+]([C@@H]1CCC(=O)NC1=O)CC2 ZINC001016975409 728535215 /nfs/dbraw/zinc/53/52/15/728535215.db2.gz QTWPAIYZMAODEK-ZIAGYGMSSA-N 2 0 348.447 -0.142 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@H]1CC12CC[NH+]([C@H]1CCC(=O)NC1=O)CC2 ZINC001016975406 728535443 /nfs/dbraw/zinc/53/54/43/728535443.db2.gz QTWPAIYZMAODEK-KBPBESRZSA-N 2 0 348.447 -0.142 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H](N2CC[NH+](CCCO)CC2)C1)[NH+](C)C ZINC001052081607 735537625 /nfs/dbraw/zinc/53/76/25/735537625.db2.gz CNYHCHKDVZLVRA-CVEARBPZSA-N 2 0 326.485 -0.073 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H](N3CC[NH+](CCO)CC3)C2)CC[N@@H+]1C ZINC001052070442 735532113 /nfs/dbraw/zinc/53/21/13/735532113.db2.gz IJRAQULMGYBFOK-ULQDDVLXSA-N 2 0 338.496 -0.073 20 0 EBADRP C[C@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001017747915 728608580 /nfs/dbraw/zinc/60/85/80/728608580.db2.gz LWICEKMMXMRUSK-PBLVUWFASA-N 2 0 335.448 -0.094 20 0 EBADRP C[NH+]1CCC(CC(=O)N2CC[C@H](N3CC[NH+](CCO)CC3)C2)CC1 ZINC001052092482 735541364 /nfs/dbraw/zinc/54/13/64/735541364.db2.gz FSAMXWNYLZHJCX-KRWDZBQOSA-N 2 0 338.496 -0.071 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001018854035 728695582 /nfs/dbraw/zinc/69/55/82/728695582.db2.gz DIDULWNLBBKBDZ-UONOGXRCSA-N 2 0 349.435 -0.930 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@H]([NH2+][C@H]3CCNC3=O)C2)n1 ZINC001018861453 728696080 /nfs/dbraw/zinc/69/60/80/728696080.db2.gz UBRRFGTYJMJVCO-STQMWFEESA-N 2 0 334.424 -0.863 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)C1 ZINC001019772988 728988770 /nfs/dbraw/zinc/98/87/70/728988770.db2.gz YYNDZSXTKJPTCG-GJZGRUSLSA-N 2 0 343.493 -0.047 20 0 EBADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1)C(N)=O ZINC001020165279 729089394 /nfs/dbraw/zinc/08/93/94/729089394.db2.gz RATHPXCREQRLEP-JHJVBQTASA-N 2 0 336.440 -0.441 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC[N@@H+]1C ZINC001020174486 729090818 /nfs/dbraw/zinc/09/08/18/729090818.db2.gz CMQPYAYNKNROEN-QSLWVIQJSA-N 2 0 336.436 -0.241 20 0 EBADRP Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001020178649 729091544 /nfs/dbraw/zinc/09/15/44/729091544.db2.gz ANKXNJKCSYTYBO-ABHRYQDASA-N 2 0 334.424 -0.585 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)cn1 ZINC001020721136 729223606 /nfs/dbraw/zinc/22/36/06/729223606.db2.gz MGOWRGPZQBXIEN-IHRRRGAJSA-N 2 0 334.424 -0.816 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCCNC3=O)C2)cn1 ZINC001020722460 729223871 /nfs/dbraw/zinc/22/38/71/729223871.db2.gz ZLOQWLBLBHCNGJ-RBSFLKMASA-N 2 0 348.451 -0.426 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001020928173 729257264 /nfs/dbraw/zinc/25/72/64/729257264.db2.gz XCWSBFBPSQKMSB-RBSFLKMASA-N 2 0 338.452 -0.576 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+][C@H]2C[C@H](NC(=O)C[NH+]3CCCC3)C2)CCO1 ZINC001021046827 729274268 /nfs/dbraw/zinc/27/42/68/729274268.db2.gz ZNOCYFIZTPLCQX-RBSFLKMASA-N 2 0 338.452 -0.434 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001021049827 729275401 /nfs/dbraw/zinc/27/54/01/729275401.db2.gz VWDNMSPAUNILQI-AAVRWANBSA-N 2 0 329.466 -0.390 20 0 EBADRP Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccn(CC[NH+](C)C)n3)C2)[nH]1 ZINC001022097434 729454657 /nfs/dbraw/zinc/45/46/57/729454657.db2.gz XLAQQKWTOTVSII-BETUJISGSA-N 2 0 346.439 -0.078 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CC[N@@H+]1C ZINC001022109053 729456450 /nfs/dbraw/zinc/45/64/50/729456450.db2.gz CMQPYAYNKNROEN-ZUWCUPBKSA-N 2 0 336.436 -0.241 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)nc1=O ZINC001022279376 729473716 /nfs/dbraw/zinc/47/37/16/729473716.db2.gz WVPMLCBPPPMKTH-CRWXNKLISA-N 2 0 348.451 -0.138 20 0 EBADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1)C(N)=O ZINC001022455628 729495671 /nfs/dbraw/zinc/49/56/71/729495671.db2.gz XJUSIPHQMPTLFO-HQMZDILOSA-N 2 0 336.436 -0.650 20 0 EBADRP O=C(N[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001022492625 729499939 /nfs/dbraw/zinc/49/99/39/729499939.db2.gz GWNSGEILOJSDAH-FQLMCAECSA-N 2 0 348.447 -0.097 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)CC1 ZINC001022647639 729521169 /nfs/dbraw/zinc/52/11/69/729521169.db2.gz MHONTFGSWYHLCG-BETUJISGSA-N 2 0 337.424 -0.883 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001022712629 729524242 /nfs/dbraw/zinc/52/42/42/729524242.db2.gz VVVBKWTZNINKHH-MELADBBJSA-N 2 0 336.436 -0.144 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001022718871 729525191 /nfs/dbraw/zinc/52/51/91/729525191.db2.gz FPKMSDRSNQLGGB-APIJFGDWSA-N 2 0 338.452 -0.720 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)nc1=O ZINC001022838475 729536844 /nfs/dbraw/zinc/53/68/44/729536844.db2.gz PHUCCLXAHHAZIL-RFQIPJPRSA-N 2 0 348.451 -0.138 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001023130193 729615358 /nfs/dbraw/zinc/61/53/58/729615358.db2.gz DLQJBLCHHAJQPW-XQQFMLRXSA-N 2 0 336.440 -0.280 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023798146 729801339 /nfs/dbraw/zinc/80/13/39/729801339.db2.gz LIPRNHCKDZGHJL-QLFBSQMISA-N 2 0 338.452 -0.746 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nc1=O ZINC001023890042 729812472 /nfs/dbraw/zinc/81/24/72/729812472.db2.gz VKUIXIKVDHHMLG-OLZOCXBDSA-N 2 0 336.440 -0.469 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCN2CCNC2=O)C1 ZINC001024800408 729931078 /nfs/dbraw/zinc/93/10/78/729931078.db2.gz DWBSMHGIPCKHRZ-LSDHHAIUSA-N 2 0 337.468 -0.066 20 0 EBADRP O=C(N1CCCC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1=O)C12CC[NH+](CC1)C2 ZINC001025140569 730005130 /nfs/dbraw/zinc/00/51/30/730005130.db2.gz HVRRUYQAPWJEAG-KGLIPLIRSA-N 2 0 348.447 -0.142 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025779060 730086771 /nfs/dbraw/zinc/08/67/71/730086771.db2.gz WPKRRJFHHJYSAS-OJKRMQCYSA-N 2 0 348.447 -0.289 20 0 EBADRP CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2CCCC[NH+]2C1 ZINC001025781648 730087197 /nfs/dbraw/zinc/08/71/97/730087197.db2.gz LYSXDOWLJRNZLP-LVNYTYFRSA-N 2 0 334.464 -0.005 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001025802375 730091230 /nfs/dbraw/zinc/09/12/30/730091230.db2.gz ARCQWTGCYIOCEB-RBSFLKMASA-N 2 0 349.435 -0.486 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]21)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908440 730104747 /nfs/dbraw/zinc/10/47/47/730104747.db2.gz NHSPPDPQITXHFU-SNUGHFBMSA-N 2 0 347.459 -0.068 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]21)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908438 730104930 /nfs/dbraw/zinc/10/49/30/730104930.db2.gz NHSPPDPQITXHFU-ADRZLJTRSA-N 2 0 347.459 -0.068 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001026043239 730117629 /nfs/dbraw/zinc/11/76/29/730117629.db2.gz FPJQYTLBRXKMKI-JLOCXQCDSA-N 2 0 347.463 -0.368 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001026140475 730124222 /nfs/dbraw/zinc/12/42/22/730124222.db2.gz SYHSAVKFGIEYFS-IMSKVBIZSA-N 2 0 347.463 -0.368 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@H]4CCc5ncnn54)C[C@H]32)C1 ZINC001026145876 730125447 /nfs/dbraw/zinc/12/54/47/730125447.db2.gz SYVMGSDFYKGTFI-OJKRMQCYSA-N 2 0 330.436 -0.237 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CCO)[C@H]3C2)n1 ZINC001026270084 730134860 /nfs/dbraw/zinc/13/48/60/730134860.db2.gz XCAVQLDDSMXXEJ-SOUVJXGZSA-N 2 0 335.452 -0.123 20 0 EBADRP Cn1nnnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001026401131 730143607 /nfs/dbraw/zinc/14/36/07/730143607.db2.gz VAYIVJAXGSEMCP-MELADBBJSA-N 2 0 345.451 -0.368 20 0 EBADRP CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1)[NH+](C)C ZINC001026901027 730169343 /nfs/dbraw/zinc/16/93/43/730169343.db2.gz IAEUWHWCKPYOIF-JSGCOSHPSA-N 2 0 338.456 -0.367 20 0 EBADRP O=C(N1CC[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1)C12CCC[NH+]1CCC2 ZINC001026939259 730173369 /nfs/dbraw/zinc/17/33/69/730173369.db2.gz CEPWCDJHYRUSLA-KBPBESRZSA-N 2 0 348.447 -0.142 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nc1=O ZINC001027171034 730194983 /nfs/dbraw/zinc/19/49/83/730194983.db2.gz SXFVMSWHRMRUBO-QWHCGFSZSA-N 2 0 336.440 -0.612 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001027217889 730199812 /nfs/dbraw/zinc/19/98/12/730199812.db2.gz RHAGZQDNKIEDFM-CABCVRRESA-N 2 0 343.493 -0.045 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CCN2CCNC2=O)CC1 ZINC001028117478 730268657 /nfs/dbraw/zinc/26/86/57/730268657.db2.gz PYDXVYQJBZJUOL-OAHLLOKOSA-N 2 0 337.468 -0.066 20 0 EBADRP O=C(NC[C@H]1CCC[N@H+]1C[C@@H](O)Cn1cccn1)C12CC[NH+](CC1)C2 ZINC001028267033 730278864 /nfs/dbraw/zinc/27/88/64/730278864.db2.gz DYTDADAMJVDQKL-HZPDHXFCSA-N 2 0 347.463 -0.080 20 0 EBADRP COc1nccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@H]3CN(C)CCO3)C2)n1 ZINC001028465084 730296754 /nfs/dbraw/zinc/29/67/54/730296754.db2.gz IKHQKEPDBJMDCV-DZGCQCFKSA-N 2 0 349.435 -0.246 20 0 EBADRP O=C(NC[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)C12CCC[NH+]1CCC2 ZINC001028658664 730333212 /nfs/dbraw/zinc/33/32/12/730333212.db2.gz BXBHSSGOKDBWQM-ZIAGYGMSSA-N 2 0 348.447 -0.142 20 0 EBADRP O=C(NC[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)C12CCC[NH+]1CCC2 ZINC001028658663 730333219 /nfs/dbraw/zinc/33/32/19/730333219.db2.gz BXBHSSGOKDBWQM-UONOGXRCSA-N 2 0 348.447 -0.142 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001028758829 730352322 /nfs/dbraw/zinc/35/23/22/730352322.db2.gz XQPDIVKIPQRQOR-GJZGRUSLSA-N 2 0 340.468 -0.378 20 0 EBADRP O=C(NCC1C[NH+](C[C@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001032131780 730816646 /nfs/dbraw/zinc/81/66/46/730816646.db2.gz UYXNWZPZBQHMLC-HNNXBMFYSA-N 2 0 333.436 -0.612 20 0 EBADRP O=C(NCC1C[NH+](C[C@@H]2CCc3ncnn32)C1)C12CC[NH+](CC1)C2 ZINC001032130165 730816904 /nfs/dbraw/zinc/81/69/04/730816904.db2.gz GXXPKYAKJJOGHL-AWEZNQCLSA-N 2 0 330.436 -0.091 20 0 EBADRP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001033398069 731018655 /nfs/dbraw/zinc/01/86/55/731018655.db2.gz VHPVETZJRAPLHU-HNNXBMFYSA-N 2 0 337.468 -0.114 20 0 EBADRP O=C(N[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)CC1)C12CC[NH+](CC1)C2 ZINC001034777801 731156278 /nfs/dbraw/zinc/15/62/78/731156278.db2.gz KSBLJWKWJQFOEB-MGPQQGTHSA-N 2 0 348.447 -0.096 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001039760433 731523475 /nfs/dbraw/zinc/52/34/75/731523475.db2.gz MQOLMRQHEPFADK-PBHICJAKSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)C[NH+](CC)CC)C1 ZINC001039786477 731534405 /nfs/dbraw/zinc/53/44/05/731534405.db2.gz TUKBMZTVYGVRAC-KRWDZBQOSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001039788266 731535623 /nfs/dbraw/zinc/53/56/23/731535623.db2.gz XPCIEMXIERLCSD-KRWDZBQOSA-N 2 0 340.468 -0.496 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3[C@H]2CCC(=O)NC2=O)C1 ZINC001040006111 731572387 /nfs/dbraw/zinc/57/23/87/731572387.db2.gz REWXBGIWVRYWMA-XQLPTFJDSA-N 2 0 348.447 -0.191 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001040100808 731598758 /nfs/dbraw/zinc/59/87/58/731598758.db2.gz RAXTWTQHLOGNSU-KRWDZBQOSA-N 2 0 342.484 -0.252 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001040447089 731737112 /nfs/dbraw/zinc/73/71/12/731737112.db2.gz OBJYHJUXVYQWSE-WBVHZDCISA-N 2 0 342.484 -0.396 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001040447338 731737479 /nfs/dbraw/zinc/73/74/79/731737479.db2.gz QHEVFHJMKPWLRV-RHSMWYFYSA-N 2 0 340.468 -0.498 20 0 EBADRP CCC[N@H+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040447790 731737560 /nfs/dbraw/zinc/73/75/60/731737560.db2.gz UQGCVLSSYIMAPU-KRWDZBQOSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001040496077 731759484 /nfs/dbraw/zinc/75/94/84/731759484.db2.gz RYJIFORAWVGXFA-PBHICJAKSA-N 2 0 340.468 -0.498 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001061425386 738536667 /nfs/dbraw/zinc/53/66/67/738536667.db2.gz ATSFYVMLDSYJJC-GJZGRUSLSA-N 2 0 340.468 -0.236 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001061425934 738536988 /nfs/dbraw/zinc/53/69/88/738536988.db2.gz JQXGKZQABNFFCI-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001061425940 738537132 /nfs/dbraw/zinc/53/71/32/738537132.db2.gz JQXGKZQABNFFCI-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040717090 731845583 /nfs/dbraw/zinc/84/55/83/731845583.db2.gz AZGHNCBYLGLGNB-QGZVFWFLSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001040796174 731877999 /nfs/dbraw/zinc/87/79/99/731877999.db2.gz UEWSZUDUUABHSF-CJNGLKHVSA-N 2 0 326.441 -0.888 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)C1 ZINC001040797600 731879204 /nfs/dbraw/zinc/87/92/04/731879204.db2.gz JZUYZHLAWWMBBH-RHSMWYFYSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@](O)(CNC(=O)CC[N@H+](C)CC)C1)[NH+](C)C ZINC001040902023 731911347 /nfs/dbraw/zinc/91/13/47/731911347.db2.gz OPQOETOFYVGCOH-RHSMWYFYSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001040903004 731912046 /nfs/dbraw/zinc/91/20/46/731912046.db2.gz WFCSYUUEDBIMHT-PBHICJAKSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1)[NH+](C)C ZINC001040937530 731930529 /nfs/dbraw/zinc/93/05/29/731930529.db2.gz YUIBJUMEQWBMOW-JJRVBVJISA-N 2 0 342.484 -0.254 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@]3(CC[N@H+](CCO)C3)C2)n1 ZINC001041296040 732071882 /nfs/dbraw/zinc/07/18/82/732071882.db2.gz CDEONDHTVPQJKA-KRWDZBQOSA-N 2 0 335.452 -0.025 20 0 EBADRP O=C(N1CC[C@@]2(CC[N@@H+]([C@@H]3CCNC3=O)C2)C1)C12CC[NH+](CC1)C2 ZINC001041788978 732226912 /nfs/dbraw/zinc/22/69/12/732226912.db2.gz KWJPMFQHTLFBMD-RHSMWYFYSA-N 2 0 332.448 -0.105 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H]3CC[N@H+](CCO)[C@@H]3C2)n1 ZINC001042064509 732293774 /nfs/dbraw/zinc/29/37/74/732293774.db2.gz HEIWZLQXDBIFNV-GOEBONIOSA-N 2 0 335.452 -0.027 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001042103957 732314860 /nfs/dbraw/zinc/31/48/60/732314860.db2.gz KIGXUVYBTADRJZ-UONOGXRCSA-N 2 0 338.452 -0.888 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001061595474 738634979 /nfs/dbraw/zinc/63/49/79/738634979.db2.gz JULSKCWQABAVTH-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP CC[C@@H](C(=O)N1CCOC[C@@H]1CNC(=O)C[NH+]1CCCC1)[NH+](C)C ZINC001061599932 738640479 /nfs/dbraw/zinc/64/04/79/738640479.db2.gz CGMQAPUXMRQNDS-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001043123853 732771812 /nfs/dbraw/zinc/77/18/12/732771812.db2.gz JBYQEEBQLCIGAF-UHFFFAOYSA-N 2 0 326.441 -0.887 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)C1 ZINC001043123892 732772072 /nfs/dbraw/zinc/77/20/72/732772072.db2.gz JVCKTWOAIVVLAX-CQSZACIVSA-N 2 0 338.452 -0.887 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001043159947 732795759 /nfs/dbraw/zinc/79/57/59/732795759.db2.gz NWLQKZZGMMAVIO-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[NH+]3C)C2)CC[N@@H+]1C ZINC001043266748 732850028 /nfs/dbraw/zinc/85/00/28/732850028.db2.gz LBVVWMANBRCDKX-MCIONIFRSA-N 2 0 338.452 -0.890 20 0 EBADRP CC[C@@H](C(=O)N1CC(O)(CNC(=O)C2([NH+](C)C)CCC2)C1)[NH+](C)C ZINC001043456250 732950754 /nfs/dbraw/zinc/95/07/54/732950754.db2.gz SRERCWITPNNJAR-ZDUSSCGKSA-N 2 0 340.468 -0.500 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001043465588 732956897 /nfs/dbraw/zinc/95/68/97/732956897.db2.gz VRTKWFCNNSGFDM-OAHLLOKOSA-N 2 0 340.468 -0.642 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001061651436 738672008 /nfs/dbraw/zinc/67/20/08/738672008.db2.gz PKIMYDJGNXEVIC-CABCVRRESA-N 2 0 340.468 -0.236 20 0 EBADRP CC[C@H](C(=O)NCC1(O)CN(C(=O)C2(C[NH+](C)C)CC2)C1)[NH+](C)C ZINC001043677427 733054897 /nfs/dbraw/zinc/05/48/97/733054897.db2.gz JNVBYEOTCHBCNK-CYBMUJFWSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1)[NH+](C)C ZINC001043771757 733105870 /nfs/dbraw/zinc/10/58/70/733105870.db2.gz YGBHRFUHCHSIBI-ZIAGYGMSSA-N 2 0 340.468 -0.500 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001044011499 733245929 /nfs/dbraw/zinc/24/59/29/733245929.db2.gz PTXOQLGCYZFOQN-AWEZNQCLSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H](CC)[NH+](C)C)C1)[NH+](C)C ZINC001044041508 733258318 /nfs/dbraw/zinc/25/83/18/733258318.db2.gz LFNRPDBLTZAYQK-STQMWFEESA-N 2 0 328.457 -0.644 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001044246423 733338376 /nfs/dbraw/zinc/33/83/76/733338376.db2.gz MGTYCVBQPKATNW-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1)[NH+](C)C ZINC001044287096 733356704 /nfs/dbraw/zinc/35/67/04/733356704.db2.gz DBDVTPMNQJCYLV-UONOGXRCSA-N 2 0 342.484 -0.398 20 0 EBADRP C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001044772593 733502393 /nfs/dbraw/zinc/50/23/93/733502393.db2.gz WQQGCKSOCWGXEA-OCCSQVGLSA-N 2 0 336.440 -0.487 20 0 EBADRP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001044772594 733502415 /nfs/dbraw/zinc/50/24/15/733502415.db2.gz WQQGCKSOCWGXEA-TZMCWYRMSA-N 2 0 336.440 -0.487 20 0 EBADRP C[C@@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001044824496 733520962 /nfs/dbraw/zinc/52/09/62/733520962.db2.gz RBTUTGGTASBXGM-OLZOCXBDSA-N 2 0 348.451 -0.327 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCCN2C(=O)C[C@@H]2CC[N@H+](C)C2)nc1=O ZINC001045276561 733645300 /nfs/dbraw/zinc/64/53/00/733645300.db2.gz YVRUNIZXNKICQD-STQMWFEESA-N 2 0 336.440 -0.469 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001045386022 733682035 /nfs/dbraw/zinc/68/20/35/733682035.db2.gz BLPDPIPKGFNKQA-ZDUSSCGKSA-N 2 0 338.452 -0.888 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC3(CO2)CC[NH+](CCO)CC3)C1 ZINC001045685068 733753753 /nfs/dbraw/zinc/75/37/53/733753753.db2.gz DTFWBXDKEDGDIS-GJZGRUSLSA-N 2 0 325.453 -0.082 20 0 EBADRP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CCc3nccn3C2)C1 ZINC001045713960 733757549 /nfs/dbraw/zinc/75/75/49/733757549.db2.gz SXSCLVTUXLDTHD-ZDUSSCGKSA-N 2 0 349.435 -0.913 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N2CC(O)(CNC(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001045720231 733759539 /nfs/dbraw/zinc/75/95/39/733759539.db2.gz OFHGKKNEAUOEOH-KBPBESRZSA-N 2 0 340.468 -0.642 20 0 EBADRP O=C(N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1)C12CCC[NH+]1CCC2 ZINC001046043225 733827529 /nfs/dbraw/zinc/82/75/29/733827529.db2.gz YVCXPGIEKPTFCW-INIZCTEOSA-N 2 0 336.480 -0.174 20 0 EBADRP C[C@H](O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001046058834 733838568 /nfs/dbraw/zinc/83/85/68/733838568.db2.gz TZJBNRHNBOEAOT-DOTOQJQBSA-N 2 0 338.496 -0.073 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCN([C@H]3CC[NH+](CCCO)C3)CC2)C1 ZINC001046064650 733841266 /nfs/dbraw/zinc/84/12/66/733841266.db2.gz QOZCUIRJINDGQO-IRXDYDNUSA-N 2 0 338.496 -0.071 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046671737 733995233 /nfs/dbraw/zinc/99/52/33/733995233.db2.gz LGFOAAOHHDSDGL-ZIAGYGMSSA-N 2 0 338.452 -0.888 20 0 EBADRP CC[C@@H](C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1)[NH+](C)C ZINC001046676100 733997381 /nfs/dbraw/zinc/99/73/81/733997381.db2.gz BGVSHAJJOHEYJW-KGLIPLIRSA-N 2 0 340.468 -0.642 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001061827348 738772574 /nfs/dbraw/zinc/77/25/74/738772574.db2.gz HGGWHHIFWMCFPK-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001046684722 734003370 /nfs/dbraw/zinc/00/33/70/734003370.db2.gz LPBHKLCWRSMKKN-UONOGXRCSA-N 2 0 340.468 -0.785 20 0 EBADRP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001046695668 734007890 /nfs/dbraw/zinc/00/78/90/734007890.db2.gz KZBQSFGTXCJBGA-UHFFFAOYSA-N 2 0 340.468 -0.641 20 0 EBADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001047379640 734164855 /nfs/dbraw/zinc/16/48/55/734164855.db2.gz IUHLVWQKFATQES-ULQDDVLXSA-N 2 0 347.463 -0.272 20 0 EBADRP C[C@@H]([NH2+]Cc1nnnn1C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001048036665 734336990 /nfs/dbraw/zinc/33/69/90/734336990.db2.gz GGURYDXUMBLQCE-OLZOCXBDSA-N 2 0 333.440 -0.368 20 0 EBADRP C[C@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001048037561 734337085 /nfs/dbraw/zinc/33/70/85/734337085.db2.gz IOWGEWVQLYNAKI-STQMWFEESA-N 2 0 348.451 -0.469 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001048558200 734444197 /nfs/dbraw/zinc/44/41/97/734444197.db2.gz MZUSZCCJXPQBJL-KKUMJFAQSA-N 2 0 340.468 -0.549 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001048723493 734484014 /nfs/dbraw/zinc/48/40/14/734484014.db2.gz GGOPIBBBUXOZFP-HZSPNIEDSA-N 2 0 349.435 -0.977 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2C1)C1CC1 ZINC001048863823 734543906 /nfs/dbraw/zinc/54/39/06/734543906.db2.gz MEPHSPDGYTVNIB-XHSDSOJGSA-N 2 0 349.479 -0.258 20 0 EBADRP CNC(=O)[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4ccnc4C3)C[C@H]2C1 ZINC001048908363 734564789 /nfs/dbraw/zinc/56/47/89/734564789.db2.gz RAKVWCZEORRULC-LJISPDSOSA-N 2 0 345.447 -0.030 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001048973290 734592173 /nfs/dbraw/zinc/59/21/73/734592173.db2.gz PVXGPLHUZAZKIY-GJZGRUSLSA-N 2 0 342.484 -0.302 20 0 EBADRP CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]1O)[NH+](C)C ZINC001049027604 734619874 /nfs/dbraw/zinc/61/98/74/734619874.db2.gz QZCNIVXWOSVOPI-KBXIAJHMSA-N 2 0 342.484 -0.303 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001049057027 734628973 /nfs/dbraw/zinc/62/89/73/734628973.db2.gz IWCNOKUDSKPAFB-BYNSBNAKSA-N 2 0 348.447 -0.334 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001049057029 734629300 /nfs/dbraw/zinc/62/93/00/734629300.db2.gz IWCNOKUDSKPAFB-XQLPTFJDSA-N 2 0 348.447 -0.334 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1)[NH+](C)C ZINC001049065760 734634388 /nfs/dbraw/zinc/63/43/88/734634388.db2.gz WVIOQEVQZWMKAB-RFQIPJPRSA-N 2 0 336.436 -0.478 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)Cc1c[nH]cn1 ZINC001061932598 738836446 /nfs/dbraw/zinc/83/64/46/738836446.db2.gz CRLXYKZQXLARQT-CQSZACIVSA-N 2 0 337.424 -0.364 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)C[C@@H]1O ZINC001049150326 734663813 /nfs/dbraw/zinc/66/38/13/734663813.db2.gz UPDRFFHBXCJCLC-ILXRZTDVSA-N 2 0 340.468 -0.690 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCCC4)C[C@@H]3C2)C1 ZINC001049212754 734686811 /nfs/dbraw/zinc/68/68/11/734686811.db2.gz DYRGRHQIDLEZON-HRCADAONSA-N 2 0 334.464 -0.049 20 0 EBADRP CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@H]3C2)C1=O ZINC001049214649 734687647 /nfs/dbraw/zinc/68/76/47/734687647.db2.gz QVFYLWSHAOSLIP-WCVJEAGWSA-N 2 0 334.464 -0.051 20 0 EBADRP CN(C(=O)CCC[NH+](C)C)[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC001049349357 734713496 /nfs/dbraw/zinc/71/34/96/734713496.db2.gz QHDDQCMNKZTXGC-ILXRZTDVSA-N 2 0 340.468 -0.690 20 0 EBADRP CN(C(=O)CC[NH+](C)C)[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC001049436020 734729694 /nfs/dbraw/zinc/72/96/94/734729694.db2.gz YAZNFYWECMHHJN-KKUMJFAQSA-N 2 0 340.468 -0.690 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001049543146 734750214 /nfs/dbraw/zinc/75/02/14/734750214.db2.gz UZQVWAHNEODFHH-GJZGRUSLSA-N 2 0 342.484 -0.300 20 0 EBADRP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1CCC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001050099900 734841645 /nfs/dbraw/zinc/84/16/45/734841645.db2.gz NDGVXQRVAPDZKR-SYGRHNPNSA-N 2 0 335.448 -0.235 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]3C[NH+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001050201673 734867701 /nfs/dbraw/zinc/86/77/01/734867701.db2.gz IXJXADKGVHYXDK-ARFHVFGLSA-N 2 0 349.479 -0.114 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cnns2)C1 ZINC001051493662 735196768 /nfs/dbraw/zinc/19/67/68/735196768.db2.gz PGFXTHKIMMTDNP-DGCLKSJQSA-N 2 0 325.438 -0.051 20 0 EBADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001054854085 736256489 /nfs/dbraw/zinc/25/64/89/736256489.db2.gz OGTMCHRTPKOXKE-OLZOCXBDSA-N 2 0 348.451 -0.327 20 0 EBADRP CCC(=O)NCC[NH+]1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001055472856 736348848 /nfs/dbraw/zinc/34/88/48/736348848.db2.gz HINFARMPLKQCOZ-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP CC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001055482909 736352276 /nfs/dbraw/zinc/35/22/76/736352276.db2.gz DGCLGCYUGLSWDQ-JKSUJKDBSA-N 2 0 338.452 -0.434 20 0 EBADRP C[NH+](C)CCOCC(=O)NC1CC[NH+](CCNC(=O)C2CC2)CC1 ZINC001055488085 736354745 /nfs/dbraw/zinc/35/47/45/736354745.db2.gz MACHSOVNHKHTNN-UHFFFAOYSA-N 2 0 340.468 -0.329 20 0 EBADRP CSCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055509705 736363046 /nfs/dbraw/zinc/36/30/46/736363046.db2.gz AXVGTJBMSMHRPN-CYBMUJFWSA-N 2 0 342.509 -0.002 20 0 EBADRP C[NH+](C)CCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CCCO2)CC1 ZINC001055510129 736363131 /nfs/dbraw/zinc/36/31/31/736363131.db2.gz FJUWZGCTPSQILI-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)c2nnc[nH]2)CC1 ZINC001055633458 736417402 /nfs/dbraw/zinc/41/74/02/736417402.db2.gz ORWLHMPQCUDIFC-UHFFFAOYSA-N 2 0 337.428 -0.933 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)c2ccn[nH]2)CC1 ZINC001055633402 736417630 /nfs/dbraw/zinc/41/76/30/736417630.db2.gz MVFCTOACBFACBC-UHFFFAOYSA-N 2 0 336.440 -0.328 20 0 EBADRP C[NH+](C)CCC(=O)N[C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001056105909 736643782 /nfs/dbraw/zinc/64/37/82/736643782.db2.gz QWQQPESROINWQN-MRXNPFEDSA-N 2 0 328.457 -0.641 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC001057636012 737375072 /nfs/dbraw/zinc/37/50/72/737375072.db2.gz LTKKZOMMCGEYGS-RBSFLKMASA-N 2 0 340.468 -0.785 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1CC[NH+](C)C1 ZINC001057635682 737375181 /nfs/dbraw/zinc/37/51/81/737375181.db2.gz GZVZMXBWVNMEFA-AWEZNQCLSA-N 2 0 328.457 -0.785 20 0 EBADRP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001057658935 737395665 /nfs/dbraw/zinc/39/56/65/737395665.db2.gz HQSUKJJXKKVKCM-GJZGRUSLSA-N 2 0 342.484 -0.537 20 0 EBADRP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)CCCC[NH+](C)C ZINC001057659248 737396743 /nfs/dbraw/zinc/39/67/43/737396743.db2.gz NBQWAIRSLQCVDV-UHFFFAOYSA-N 2 0 344.500 -0.003 20 0 EBADRP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001057661583 737398371 /nfs/dbraw/zinc/39/83/71/737398371.db2.gz XJANXLOYDZAZEC-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001057661576 737398487 /nfs/dbraw/zinc/39/84/87/737398487.db2.gz WYTMSQOMCXIKEK-CQSZACIVSA-N 2 0 328.457 -0.783 20 0 EBADRP CC(C)[NH+](C)CC(=O)N(CCO)CCNC(=O)C[N@@H+](C)C(C)C ZINC001057864383 737485785 /nfs/dbraw/zinc/48/57/85/737485785.db2.gz PPZLFLGCWYMYTH-UHFFFAOYSA-N 2 0 330.473 -0.396 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(CCO)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001057864369 737485946 /nfs/dbraw/zinc/48/59/46/737485946.db2.gz OXPTVBDYAPPNCD-HNNXBMFYSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC001057882045 737501524 /nfs/dbraw/zinc/50/15/24/737501524.db2.gz AQPRYMIXPHJMIA-CABCVRRESA-N 2 0 344.500 -0.150 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)C[NH+](C)C1CCC1 ZINC001057903809 737523341 /nfs/dbraw/zinc/52/33/41/737523341.db2.gz YIBYPFOHQPGOOB-UHFFFAOYSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC001057974954 737571639 /nfs/dbraw/zinc/57/16/39/737571639.db2.gz AOJMSHKLVNRAAG-HUUCEWRRSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[C@@H](C(=O)NCCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001058157538 737679509 /nfs/dbraw/zinc/67/95/09/737679509.db2.gz APVWRXSSWXFZJN-CABCVRRESA-N 2 0 342.484 -0.395 20 0 EBADRP C[NH+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001058157854 737680124 /nfs/dbraw/zinc/68/01/24/737680124.db2.gz JFJVKMCESPZZMF-CABCVRRESA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@@H](C(=O)N(CCO)CCNC(=O)CCCC[NH+](C)C)[NH+](C)C ZINC001058168575 737690018 /nfs/dbraw/zinc/69/00/18/737690018.db2.gz LITQLWMPAYZOBM-HNNXBMFYSA-N 2 0 344.500 -0.004 20 0 EBADRP CC[C@@H](C(=O)N(CCO)CCNC(=O)C1([NH+](C)C)CCC1)[NH+](C)C ZINC001058168431 737690157 /nfs/dbraw/zinc/69/01/57/737690157.db2.gz DTWYKIRNKBCUFT-AWEZNQCLSA-N 2 0 342.484 -0.252 20 0 EBADRP CCC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)CCC[NH+](C)C ZINC001058252628 737735399 /nfs/dbraw/zinc/73/53/99/737735399.db2.gz QFBLJLHZPPLQCJ-UHFFFAOYSA-N 2 0 344.500 -0.003 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001058253746 737736088 /nfs/dbraw/zinc/73/60/88/737736088.db2.gz GTLOZPLDFKUTSW-HNNXBMFYSA-N 2 0 342.484 -0.393 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC001058255559 737738109 /nfs/dbraw/zinc/73/81/09/737738109.db2.gz UVYUXJYPCNTTJG-GJZGRUSLSA-N 2 0 342.484 -0.537 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058607556 737919923 /nfs/dbraw/zinc/91/99/23/737919923.db2.gz FPZTYSWOKNCBPK-UHFFFAOYSA-N 2 0 344.500 -0.004 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058610620 737921376 /nfs/dbraw/zinc/92/13/76/737921376.db2.gz MUPKFLFQUPQFRH-UHFFFAOYSA-N 2 0 344.500 -0.003 20 0 EBADRP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001058844259 738024027 /nfs/dbraw/zinc/02/40/27/738024027.db2.gz YFPQHFMRISRJJU-OAHLLOKOSA-N 2 0 342.484 -0.250 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)C[NH+]1CCC[C@H]1C ZINC001058844313 738024032 /nfs/dbraw/zinc/02/40/32/738024032.db2.gz ZMMSZXOEYPTFNQ-OAHLLOKOSA-N 2 0 342.484 -0.250 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001058845349 738025564 /nfs/dbraw/zinc/02/55/64/738025564.db2.gz LGYSDTFVDCUXOP-HUUCEWRRSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1 ZINC001058848553 738031302 /nfs/dbraw/zinc/03/13/02/738031302.db2.gz HAKAWOSXVSRMSE-LSDHHAIUSA-N 2 0 340.468 -0.783 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC001058849583 738032384 /nfs/dbraw/zinc/03/23/84/738032384.db2.gz YWGGGEJOFBCGSD-GJZGRUSLSA-N 2 0 342.484 -0.537 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC001058849457 738032431 /nfs/dbraw/zinc/03/24/31/738032431.db2.gz UUVSUTJAHBGVLJ-HUUCEWRRSA-N 2 0 342.484 -0.537 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001064978562 739457418 /nfs/dbraw/zinc/45/74/18/739457418.db2.gz VIIFHQOHJSUMJZ-KBPBESRZSA-N 2 0 326.441 -0.624 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)CCO1 ZINC001065168736 739573229 /nfs/dbraw/zinc/57/32/29/739573229.db2.gz FCRIXEBVDORWDF-LSDHHAIUSA-N 2 0 340.468 -0.378 20 0 EBADRP CC[C@H](C(=O)N1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1)[NH+](C)C ZINC001065300332 739635899 /nfs/dbraw/zinc/63/58/99/739635899.db2.gz GGVWJQNUSKPRRC-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001065406653 739692744 /nfs/dbraw/zinc/69/27/44/739692744.db2.gz MUEIFPNTCHUYJT-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001065576990 739773074 /nfs/dbraw/zinc/77/30/74/739773074.db2.gz ZEENJIUDFINSIE-ZBFHGGJFSA-N 2 0 340.468 -0.378 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCOC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068420240 740320967 /nfs/dbraw/zinc/32/09/67/740320967.db2.gz JKZLIEUQELVQLG-UHFFFAOYSA-N 2 0 340.468 -0.280 20 0 EBADRP CC[C@H](C(=O)N1CC2(C1)CN(C(=O)CC[NH+](C)C)CCO2)[NH+](C)C ZINC001068454492 740330978 /nfs/dbraw/zinc/33/09/78/740330978.db2.gz SMTCUGIBTBEUFE-CQSZACIVSA-N 2 0 340.468 -0.282 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC2(C1)CN(C(=O)CC[NH+](C)C)CCO2 ZINC001068456429 740331712 /nfs/dbraw/zinc/33/17/12/740331712.db2.gz OTSPGPPLLLAJQU-UHFFFAOYSA-N 2 0 340.468 -0.280 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068940750 740502552 /nfs/dbraw/zinc/50/25/52/740502552.db2.gz PYEDYAVIVDMNRT-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2n2ccnn2)CC[N@@H+]1C ZINC001069930336 740623037 /nfs/dbraw/zinc/62/30/37/740623037.db2.gz CZGXTMOOYQLUQA-TUVASFSCSA-N 2 0 336.440 -0.658 20 0 EBADRP CC[NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1n1ccnn1 ZINC001070196444 740745207 /nfs/dbraw/zinc/74/52/07/740745207.db2.gz YMOBHCHQRWPFFH-CABCVRRESA-N 2 0 346.439 -0.289 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2[NH2+]CCO)c1 ZINC001070492996 740848647 /nfs/dbraw/zinc/84/86/47/740848647.db2.gz DGAFNNJRNSBXNY-HLLBOEOZSA-N 2 0 347.463 -0.362 20 0 EBADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cncn1C ZINC001070711210 740924443 /nfs/dbraw/zinc/92/44/43/740924443.db2.gz ZXUWVNHRWMRYRT-RBSFLKMASA-N 2 0 347.463 -0.219 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)CC[NH+](C)C ZINC001072433032 741398879 /nfs/dbraw/zinc/39/88/79/741398879.db2.gz QTLMRQGOJUSSKF-KGLIPLIRSA-N 2 0 328.457 -0.521 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001072433583 741399005 /nfs/dbraw/zinc/39/90/05/741399005.db2.gz YGSJISOJTDRRAY-CABCVRRESA-N 2 0 342.484 -0.131 20 0 EBADRP CNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001072740864 741469320 /nfs/dbraw/zinc/46/93/20/741469320.db2.gz NCTLQCIMESSZIB-UKRRQHHQSA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC3(C2)CC[NH+]([C@@H]2CCC(=O)NC2=O)C3)C1 ZINC001072983006 741534078 /nfs/dbraw/zinc/53/40/78/741534078.db2.gz IEKADWSKBVCEDG-ZIAGYGMSSA-N 2 0 348.447 -0.332 20 0 EBADRP C[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)c3cnn(CC[NH+](C)C)c3)C2)C1 ZINC001073050023 741549090 /nfs/dbraw/zinc/54/90/90/741549090.db2.gz GJIDNEYQCDTAHT-CQSZACIVSA-N 2 0 335.452 -0.027 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CC[NH+](CCN2C(=O)CCC2=O)C3)C1 ZINC001073425960 741611832 /nfs/dbraw/zinc/61/18/32/741611832.db2.gz MROUTVXLCWIFFY-AWEZNQCLSA-N 2 0 348.447 -0.379 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC2(C1)CC[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001073430549 741613015 /nfs/dbraw/zinc/61/30/15/741613015.db2.gz HHTBGSXRTWNYNL-CYBMUJFWSA-N 2 0 334.420 -0.578 20 0 EBADRP O=C(NC[C@H]1C[N@H+](CCCO)CCCO1)[C@H]1C[NH+]2CCC1CC2 ZINC001073605666 741682848 /nfs/dbraw/zinc/68/28/48/741682848.db2.gz QIQVNGUOURQKQA-HOTGVXAUSA-N 2 0 325.453 -0.082 20 0 EBADRP O=C(NC[C@@H]1C[N@H+](CCCO)CCCO1)[C@H]1C[NH+]2CCC1CC2 ZINC001073605665 741682879 /nfs/dbraw/zinc/68/28/79/741682879.db2.gz QIQVNGUOURQKQA-CVEARBPZSA-N 2 0 325.453 -0.082 20 0 EBADRP C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001074654756 742047963 /nfs/dbraw/zinc/04/79/63/742047963.db2.gz BIZXZDCIHABUQT-UBHSHLNASA-N 2 0 348.451 -0.471 20 0 EBADRP C[C@H]1[C@@H]([NH2+][C@@H]2CCNC2=O)CCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001074656122 742048973 /nfs/dbraw/zinc/04/89/73/742048973.db2.gz WNKADNJSVPOPHT-MELADBBJSA-N 2 0 348.451 -0.474 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)[C@@H]1C)[NH+](C)C ZINC001074711261 742082552 /nfs/dbraw/zinc/08/25/52/742082552.db2.gz WAAZFPRRAUBRQT-MELADBBJSA-N 2 0 325.457 -0.069 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001074713060 742083590 /nfs/dbraw/zinc/08/35/90/742083590.db2.gz GXJYHRMZXWYSBV-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)NC(=O)COCC[NH+](C)C ZINC001075941349 742335614 /nfs/dbraw/zinc/33/56/14/742335614.db2.gz RTUITWFNSFHAMV-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@H]2O)CC[N@@H+]1C ZINC001077023537 742699526 /nfs/dbraw/zinc/69/95/26/742699526.db2.gz FSQCTXUEXIUXKU-DTZQCDIJSA-N 2 0 335.452 -0.536 20 0 EBADRP Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618271 743121111 /nfs/dbraw/zinc/12/11/11/743121111.db2.gz DUCZODWSOSTPKP-HZPDHXFCSA-N 2 0 335.452 -0.534 20 0 EBADRP C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001077685315 743172800 /nfs/dbraw/zinc/17/28/00/743172800.db2.gz KOSHNIPFZXCHAX-IAOVAPTHSA-N 2 0 335.448 -0.054 20 0 EBADRP Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078011658 743414728 /nfs/dbraw/zinc/41/47/28/743414728.db2.gz ASLJKVFWMVKKCT-HUUCEWRRSA-N 2 0 333.436 -0.780 20 0 EBADRP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012225 743415813 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/nfs/dbraw/zinc/08/64/59/807086459.db2.gz BUNUPYGNLMCFHU-TUVASFSCSA-N 2 0 348.451 -0.337 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000983716267 807086920 /nfs/dbraw/zinc/08/69/20/807086920.db2.gz NUUMYPSLJASUFN-AAVRWANBSA-N 2 0 349.439 -0.942 20 0 EBADRP Cn1cnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000983714889 807087395 /nfs/dbraw/zinc/08/73/95/807087395.db2.gz BUNUPYGNLMCFHU-ZQDZILKHSA-N 2 0 348.451 -0.337 20 0 EBADRP Cn1ncnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000983717175 807088980 /nfs/dbraw/zinc/08/89/80/807088980.db2.gz YNDSNXUFECPPGO-ZQDZILKHSA-N 2 0 348.451 -0.337 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC000984047182 807155592 /nfs/dbraw/zinc/15/55/92/807155592.db2.gz IBXBZGKHJMLDSE-XUXIUFHCSA-N 2 0 336.436 -0.240 20 0 EBADRP O=C(N[C@@H]1C[C@@H](C[NH2+][C@H]2CCNC2=O)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000984357934 807266294 /nfs/dbraw/zinc/26/62/94/807266294.db2.gz OHRGXDNCJKSFJA-MRQDFBQNSA-N 2 0 348.447 -0.778 20 0 EBADRP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)c1nnnn1C ZINC000985040315 807430127 /nfs/dbraw/zinc/43/01/27/807430127.db2.gz MNLYROFOXWMWGK-AVGNSLFASA-N 2 0 333.440 -0.149 20 0 EBADRP C[N@H+](C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1)[C@@H]1CCC(=O)NC1=O ZINC000985788965 807582596 /nfs/dbraw/zinc/58/25/96/807582596.db2.gz ALMXKUNOPVLSOB-TZMCWYRMSA-N 2 0 336.436 -0.334 20 0 EBADRP C[C@@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)C[NH+]1CCCC1 ZINC000987534141 807953845 /nfs/dbraw/zinc/95/38/45/807953845.db2.gz UIVNXCUYWRENMH-OLZOCXBDSA-N 2 0 337.424 -0.787 20 0 EBADRP C[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989685424 808556346 /nfs/dbraw/zinc/55/63/46/808556346.db2.gz BLLXXEAZZRXHSE-UONOGXRCSA-N 2 0 348.447 -0.190 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC000990507892 808816741 /nfs/dbraw/zinc/81/67/41/808816741.db2.gz IGLIJTGUPVLTCA-LSDHHAIUSA-N 2 0 338.452 -0.483 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000990519969 808823272 /nfs/dbraw/zinc/82/32/72/808823272.db2.gz UWJDODWYJPUTPH-VTPHYOBMSA-N 2 0 348.447 -0.729 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214335840 810239554 /nfs/dbraw/zinc/23/95/54/810239554.db2.gz KVSZVUPHRFZOPI-BMFZPTHFSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214969409 810294715 /nfs/dbraw/zinc/29/47/15/810294715.db2.gz QIPNBNFZZUHAMH-IJLUTSLNSA-N 2 0 325.413 -0.898 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001215423702 810327421 /nfs/dbraw/zinc/32/74/21/810327421.db2.gz RRZYUCLUBCHKNF-IJLUTSLNSA-N 2 0 327.429 -0.652 20 0 EBADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001215453497 810329293 /nfs/dbraw/zinc/32/92/93/810329293.db2.gz FEPRQYVKFCNOPB-TZMCWYRMSA-N 2 0 331.482 -0.191 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001215456155 810329652 /nfs/dbraw/zinc/32/96/52/810329652.db2.gz PTTBOXNMBSFCQX-RBSFLKMASA-N 2 0 340.468 -0.330 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC001215862006 810348227 /nfs/dbraw/zinc/34/82/27/810348227.db2.gz UDKPWBVMXVUNQK-TZMCWYRMSA-N 2 0 336.440 -0.759 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001216098953 810358392 /nfs/dbraw/zinc/35/83/92/810358392.db2.gz BYWOMIHICLVHCY-UMVBOHGHSA-N 2 0 340.468 -0.332 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001216854416 810396320 /nfs/dbraw/zinc/39/63/20/810396320.db2.gz YKYFWZBGZPKAGU-GRYCIOLGSA-N 2 0 327.429 -0.654 20 0 EBADRP NC(=O)NCCC[C@H]([NH3+])C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218532674 810499836 /nfs/dbraw/zinc/49/98/36/810499836.db2.gz IEEYXZGNWWOYGO-YUMQZZPRSA-N 2 0 326.426 -0.327 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218551015 810501500 /nfs/dbraw/zinc/50/15/00/810501500.db2.gz ZPSHRZUIYGBKJO-QLFBSQMISA-N 2 0 329.441 -0.753 20 0 EBADRP CCOC(=O)c1snc(C(N)=O)c1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218555144 810502181 /nfs/dbraw/zinc/50/21/81/810502181.db2.gz OWNLMJFBPXCYCF-LURJTMIESA-N 2 0 329.382 -0.577 20 0 EBADRP CN1CCN(c2cc(NC(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)ncn2)CC1 ZINC001218572276 810506170 /nfs/dbraw/zinc/50/61/70/810506170.db2.gz HQQLVAFMLJDFKX-HNNXBMFYSA-N 2 0 333.440 -0.506 20 0 EBADRP COC(=O)c1c[nH]c(C(=O)OC)c1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218597564 810509969 /nfs/dbraw/zinc/50/99/69/810509969.db2.gz YGTXEVOSDFTZNT-VIFPVBQESA-N 2 0 326.353 -0.017 20 0 EBADRP Nc1cn(C(=O)[C@]2(N)CCC[NH2+]C2)ccc1=[NH+]CCN1CCOCC1 ZINC001218619605 810510945 /nfs/dbraw/zinc/51/09/45/810510945.db2.gz ITHDYIRKXSQYJG-KRWDZBQOSA-N 2 0 348.451 -0.976 20 0 EBADRP Nc1cn(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)ccc1=[NH+]CCN1CCOCC1 ZINC001218620375 810512309 /nfs/dbraw/zinc/51/23/09/810512309.db2.gz PXVZJRZAGGRNTC-VIKVFOODSA-N 2 0 331.420 -0.591 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1cc(Cl)ncc1CO ZINC001218692986 810520655 /nfs/dbraw/zinc/52/06/55/810520655.db2.gz PEJRRVAIWIGKSG-LLVKDONJSA-N 2 0 327.816 -0.084 20 0 EBADRP Nc1cccnc1N(C(=O)[C@]12C[NH2+]C[C@H]1CCN2)C1CC[NH2+]CC1 ZINC001218695086 810520790 /nfs/dbraw/zinc/52/07/90/810520790.db2.gz LUYXIBZWXPZCCS-PXAZEXFGSA-N 2 0 330.436 -0.300 20 0 EBADRP O=C(Nc1ccc2c(c1)C(=O)NCCO2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218816578 810534507 /nfs/dbraw/zinc/53/45/07/810534507.db2.gz JGXMOPPNRPBINN-PIGZYNQJSA-N 2 0 330.388 -0.054 20 0 EBADRP NC(=O)CC[C@H]([NH3+])CC(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218879355 810538384 /nfs/dbraw/zinc/53/83/84/810538384.db2.gz AOFOEELGYMAVQN-LBPRGKRZSA-N 2 0 347.419 -0.347 20 0 EBADRP O=C(Nc1ccc(N2CC[NH+](CCO)CC2)cc1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001218874255 810538880 /nfs/dbraw/zinc/53/88/80/810538880.db2.gz RMAQLNKUHAAZEX-HZPDHXFCSA-N 2 0 334.420 -0.538 20 0 EBADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@H]1C[NH2+]C[C@H](O)C1 ZINC001218879376 810538926 /nfs/dbraw/zinc/53/89/26/810538926.db2.gz AVFJDAYWYVKMJX-CHWSQXEVSA-N 2 0 332.404 -0.359 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccccc1-n1cncn1 ZINC001219007109 810554645 /nfs/dbraw/zinc/55/46/45/810554645.db2.gz HJHPDVZGIJPAHR-ZDUSSCGKSA-N 2 0 329.408 -0.044 20 0 EBADRP [NH3+][C@H]1CCCN(c2ccc(NC(=O)[C@H]3COC4(C[NH2+]C4)CN3)cc2)C1 ZINC001219233412 810625557 /nfs/dbraw/zinc/62/55/57/810625557.db2.gz NXJCDTWMLGPXJN-XJKSGUPXSA-N 2 0 345.447 -0.117 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc2[nH]c(=O)cnc2c1 ZINC001219440055 810698992 /nfs/dbraw/zinc/69/89/92/810698992.db2.gz RENPUYLIZQRUTA-GFCCVEGCSA-N 2 0 330.392 -0.388 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@@H]1C[C@H](O)C[NH2+]1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219501304 810723965 /nfs/dbraw/zinc/72/39/65/810723965.db2.gz TXXSHDTZLYWRRN-YHYSRRTLSA-N 2 0 346.387 -0.460 20 0 EBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219635770 810781730 /nfs/dbraw/zinc/78/17/30/810781730.db2.gz QNFKTVINUHLWTF-SRVKXCTJSA-N 2 0 333.429 -0.783 20 0 EBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2Cn3cnnc3C23CC[NH2+]CC3)C1 ZINC001219638573 810782766 /nfs/dbraw/zinc/78/27/66/810782766.db2.gz NLQYKZIINYNVKN-IHRRRGAJSA-N 2 0 332.452 -0.109 20 0 EBADRP CC(C)OCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643080 810783105 /nfs/dbraw/zinc/78/31/05/810783105.db2.gz DXBFKTXHYPUPPR-OAGGEKHMSA-N 2 0 325.453 -0.086 20 0 EBADRP COCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643306 810784577 /nfs/dbraw/zinc/78/45/77/810784577.db2.gz OCNSFMKJJFYCHY-XHSDSOJGSA-N 2 0 325.453 -0.084 20 0 EBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC[C@@H]2C[NH2+]C[C@@H](C)C2)COC1(C)C ZINC001219650693 810785583 /nfs/dbraw/zinc/78/55/83/810785583.db2.gz PSCNVTFXVPPOMI-CYDGBPFRSA-N 2 0 326.441 -0.341 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219705019 810802512 /nfs/dbraw/zinc/80/25/12/810802512.db2.gz BNEYLSUSTXETDL-KRWDZBQOSA-N 3 0 331.464 -0.301 20 0 EBADRP [NH3+][C@@H](C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1)C1CCC2(CC1)OCCO2 ZINC001219736494 810817135 /nfs/dbraw/zinc/81/71/35/810817135.db2.gz CRCNHJTWRPCFSK-UONOGXRCSA-N 2 0 339.436 -0.258 20 0 EBADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)c1cccnc1O[C@H]1CC[NH2+]C1 ZINC001219738976 810817154 /nfs/dbraw/zinc/81/71/54/810817154.db2.gz DCDNEEGKWBPBHX-STQMWFEESA-N 2 0 332.404 -0.069 20 0 EBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741882 810819256 /nfs/dbraw/zinc/81/92/56/810819256.db2.gz WXSFBKXYOJYOCQ-VXGBXAGGSA-N 2 0 327.429 -0.820 20 0 EBADRP CC(C)(C)O[C@H]1C[NH2+][C@H](C(=O)NCc2nnc3n2CCC[NH2+]C3)C1 ZINC001219748756 810823755 /nfs/dbraw/zinc/82/37/55/810823755.db2.gz ARPHSBQRQPQOMT-NEPJUHHUSA-N 2 0 336.440 -0.067 20 0 EBADRP N[C@@H](C[NH3+])c1ccc(C(=O)NCc2nnc3n2CCC[NH2+]C3)cc1 ZINC001219751825 810825736 /nfs/dbraw/zinc/82/57/36/810825736.db2.gz XLVNXVHFXZGCOX-ZDUSSCGKSA-N 2 0 329.408 -0.340 20 0 EBADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001219764252 810829404 /nfs/dbraw/zinc/82/94/04/810829404.db2.gz CCFCOJMODZPDPS-UGUYLWEFSA-N 2 0 349.479 -0.861 20 0 EBADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001219765892 810831628 /nfs/dbraw/zinc/83/16/28/810831628.db2.gz GSBHJVFLXMQEHS-WCXIOVBPSA-N 2 0 335.496 -0.387 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219771300 810834988 /nfs/dbraw/zinc/83/49/88/810834988.db2.gz KSXJEEBDAGUUKJ-XHDPSFHLSA-N 2 0 332.420 -0.547 20 0 EBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219774955 810836365 /nfs/dbraw/zinc/83/63/65/810836365.db2.gz GCVLALJUDRUDIX-LBPRGKRZSA-N 2 0 327.450 -0.589 20 0 EBADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001219802832 810849044 /nfs/dbraw/zinc/84/90/44/810849044.db2.gz DIFAQOUKAGVWEE-CYBMUJFWSA-N 2 0 346.435 -0.615 20 0 EBADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)C1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001219801152 810849887 /nfs/dbraw/zinc/84/98/87/810849887.db2.gz UKVGJMAEEBWSLR-HZPDHXFCSA-N 2 0 336.480 -0.055 20 0 EBADRP [NH3+][C@@H](Cc1c[nH]c2ncccc12)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219812523 810858437 /nfs/dbraw/zinc/85/84/37/810858437.db2.gz DEQUVIQIICVREO-JDFRZJQESA-N 2 0 329.404 -0.215 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O ZINC001219830091 810865934 /nfs/dbraw/zinc/86/59/34/810865934.db2.gz NALINULVYIMSRC-KFWWJZLASA-N 2 0 329.441 -0.969 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831325 810866515 /nfs/dbraw/zinc/86/65/15/810866515.db2.gz GRQHNYXOSQFROT-ZSLBOAEBSA-N 2 0 326.441 -0.642 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CC(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831636 810867435 /nfs/dbraw/zinc/86/74/35/810867435.db2.gz RGYQGZKOQMEJJS-NRKLIOEPSA-N 2 0 333.432 -0.200 20 0 EBADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1C[NH2+]Cc2ccnn2C1 ZINC001219833856 810868320 /nfs/dbraw/zinc/86/83/20/810868320.db2.gz LABGZAVGAOBQSP-JKIFEVAISA-N 2 0 349.435 -0.886 20 0 EBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)C1=NO[C@]2(CC[NH2+]C2)C1 ZINC001219833631 810868774 /nfs/dbraw/zinc/86/87/74/810868774.db2.gz FQYDSMJGQSQVPN-WQVCFCJDSA-N 2 0 338.408 -0.994 20 0 EBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219838422 810870651 /nfs/dbraw/zinc/87/06/51/810870651.db2.gz QADMALGSVZAKOQ-YQQAZPJKSA-N 3 0 342.484 -0.443 20 0 EBADRP CO[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)C1 ZINC001219838578 810870675 /nfs/dbraw/zinc/87/06/75/810870675.db2.gz RYSZKTSWSCQAIV-KNCOVGOOSA-N 2 0 327.425 -0.735 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219836695 810871030 /nfs/dbraw/zinc/87/10/30/810871030.db2.gz CLLGYRWTSOFKAC-XEZPLFJOSA-N 2 0 329.441 -0.360 20 0 EBADRP [NH3+]C1(CC(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CCOCC1 ZINC001219839191 810872502 /nfs/dbraw/zinc/87/25/02/810872502.db2.gz XXKDBVZKQDISKI-BBRMVZONSA-N 2 0 327.425 -0.604 20 0 EBADRP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219878024 810891670 /nfs/dbraw/zinc/89/16/70/810891670.db2.gz WJPLOTSJSFMGKC-ZNMIVQPWSA-N 2 0 343.468 -0.459 20 0 EBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC001219943437 810918257 /nfs/dbraw/zinc/91/82/57/810918257.db2.gz IXGFUAACCRXGAW-FZMZJTMJSA-N 2 0 349.435 -0.928 20 0 EBADRP C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001219944135 810920158 /nfs/dbraw/zinc/92/01/58/810920158.db2.gz QKIFUKZLKWKICD-KFWWJZLASA-N 2 0 325.453 -0.063 20 0 EBADRP COC(=O)C1(NC(=O)[C@H]2C[N@@H+](C(C)(C)C)CCN2)CC[NH2+]CC1 ZINC001220001867 810942131 /nfs/dbraw/zinc/94/21/31/810942131.db2.gz YUQNSFXWKXEVIN-GFCCVEGCSA-N 2 0 326.441 -0.530 20 0 EBADRP [NH3+]CC1(N(Cc2ccccc2)C(=O)[C@H]2COC3(C[NH2+]C3)CN2)COC1 ZINC001220020488 810950373 /nfs/dbraw/zinc/95/03/73/810950373.db2.gz KUFCFRDCAPOWEF-OAHLLOKOSA-N 2 0 346.431 -0.927 20 0 EBADRP CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034254 810955454 /nfs/dbraw/zinc/95/54/54/810955454.db2.gz PMVFIBCSPXDQON-WCCAFZKYSA-N 2 0 339.436 -0.953 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H](CO)Cc1ccc(O)cc1 ZINC001220117590 810988578 /nfs/dbraw/zinc/98/85/78/810988578.db2.gz NHXQAQNBIVSVGS-ZBFHGGJFSA-N 2 0 336.436 -0.838 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H](CO)Cc1ccc(O)cc1 ZINC001220117589 810988636 /nfs/dbraw/zinc/98/86/36/810988636.db2.gz NHXQAQNBIVSVGS-GDBMZVCRSA-N 2 0 336.436 -0.838 20 0 EBADRP O=C(NCc1cc(OC2COC2)ccn1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220183268 811009146 /nfs/dbraw/zinc/00/91/46/811009146.db2.gz KCEJRYKUSHFYKL-SJKOYZFVSA-N 2 0 332.404 -0.326 20 0 EBADRP COC(=O)[C@]1(NC(=O)C[C@H](O)C[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC001220225271 811022524 /nfs/dbraw/zinc/02/25/24/811022524.db2.gz FSCMQUBKPARSOE-YOEHRIQHSA-N 2 0 335.404 -0.370 20 0 EBADRP COC(=O)[C@]1(NC(=O)[C@@H]2C[NH2+]C[C@@H]2O)CC[N@H+](Cc2ccccc2)C1 ZINC001220228518 811025777 /nfs/dbraw/zinc/02/57/77/811025777.db2.gz OUBAWEUWTSYGPB-VKJFTORMSA-N 2 0 347.415 -0.499 20 0 EBADRP CCOC(=O)CC[C@H](NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C(=O)OCC ZINC001220230623 811027477 /nfs/dbraw/zinc/02/74/77/811027477.db2.gz NFHUCZJNXPSMMH-JSGCOSHPSA-N 2 0 343.424 -0.296 20 0 EBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220315926 811052671 /nfs/dbraw/zinc/05/26/71/811052671.db2.gz KKTFXHWYAOAEHC-DYEKYZERSA-N 2 0 330.454 -0.832 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCCNC(=O)Nc1ccccc1 ZINC001220341321 811062902 /nfs/dbraw/zinc/06/29/02/811062902.db2.gz XBWQUQPZGJQTKZ-LBPRGKRZSA-N 2 0 325.438 -0.057 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1cccn(CC2CC2)c1=O ZINC001220343523 811063906 /nfs/dbraw/zinc/06/39/06/811063906.db2.gz RHIVSMCIEDFTBQ-CQSZACIVSA-N 2 0 333.436 -0.053 20 0 EBADRP [NH3+]C[C@H](O)C(=O)N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220353346 811066892 /nfs/dbraw/zinc/06/68/92/811066892.db2.gz IKMALPYIZRUZBL-SOUVJXGZSA-N 2 0 335.404 -0.119 20 0 EBADRP [NH3+]C[C@H](O)C(=O)N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220353344 811067698 /nfs/dbraw/zinc/06/76/98/811067698.db2.gz IKMALPYIZRUZBL-KKUMJFAQSA-N 2 0 335.404 -0.119 20 0 EBADRP COC(=O)C[C@H](NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C(=O)OC(C)(C)C ZINC001220379103 811082333 /nfs/dbraw/zinc/08/23/33/811082333.db2.gz LVPJWKMDMGSLIO-WCQYABFASA-N 2 0 343.424 -0.297 20 0 EBADRP O=C(NCc1ccc(N2CCOCC2)nn1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220390287 811088531 /nfs/dbraw/zinc/08/85/31/811088531.db2.gz WULPRJQIBZUJMD-CXAGYDPISA-N 2 0 346.435 -0.872 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H](CO)Cc1ccccc1 ZINC001220406689 811098238 /nfs/dbraw/zinc/09/82/38/811098238.db2.gz VSKJJPKQSWPAOS-DOTOQJQBSA-N 2 0 334.464 -0.296 20 0 EBADRP [NH3+][C@@H](CCCCNC(=O)c1ccccn1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001220429422 811104597 /nfs/dbraw/zinc/10/45/97/811104597.db2.gz RIUFZDJKHROFPF-KBPBESRZSA-N 2 0 349.435 -0.586 20 0 EBADRP [NH3+]C1CCN(C(=O)c2ccc(C(=O)NC[C@@H]3COCC[NH2+]3)cc2)CC1 ZINC001220431500 811105730 /nfs/dbraw/zinc/10/57/30/811105730.db2.gz ICLZPKGNKJANRF-MRXNPFEDSA-N 2 0 346.431 -0.032 20 0 EBADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)O1 ZINC001220481252 811122076 /nfs/dbraw/zinc/12/20/76/811122076.db2.gz ASCUOQFYRGBQOK-NHIYQJMISA-N 3 0 330.473 -0.113 20 0 EBADRP CN(CC[NH3+])CCNC(=O)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1NC2=O ZINC001220517637 811133982 /nfs/dbraw/zinc/13/39/82/811133982.db2.gz UKZJUFNFHTYMKD-GJZGRUSLSA-N 2 0 331.420 -0.894 20 0 EBADRP [NH3+]CCOCCOCCNC(=O)c1cccnc1O[C@H]1CC[NH2+]C1 ZINC001220522000 811136449 /nfs/dbraw/zinc/13/64/49/811136449.db2.gz WWZGXNNWGDJFMD-ZDUSSCGKSA-N 2 0 338.408 -0.456 20 0 EBADRP CCOC(=O)C1=C(NC(=O)CNC(=O)[C@@H]([NH3+])CC(C)C)CC[NH2+]C1 ZINC001220521878 811137289 /nfs/dbraw/zinc/13/72/89/811137289.db2.gz RMHBTFSKIUPQDQ-LBPRGKRZSA-N 2 0 340.424 -0.597 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]CC23CCOCC3)CC[NH2+]C1 ZINC001220521565 811137495 /nfs/dbraw/zinc/13/74/95/811137495.db2.gz IRQLSCVHYRORMV-ZDUSSCGKSA-N 2 0 337.420 -0.071 20 0 EBADRP COC(=O)C[C@@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1cccnc1 ZINC001220529626 811141711 /nfs/dbraw/zinc/14/17/11/811141711.db2.gz GXUFDTPVQCRKBJ-NWDGAFQWSA-N 2 0 326.422 -0.179 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)C[C@@H]1O ZINC001220585043 811167606 /nfs/dbraw/zinc/16/76/06/811167606.db2.gz UWLVMISZBKIURA-XHSDSOJGSA-N 2 0 345.484 -0.477 20 0 EBADRP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220638241 811184753 /nfs/dbraw/zinc/18/47/53/811184753.db2.gz XXWGNXQBWUTEGN-CFVMTHIKSA-N 2 0 329.441 -0.707 20 0 EBADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220654444 811191806 /nfs/dbraw/zinc/19/18/06/811191806.db2.gz SORUKTBLOUVWKS-DOTOQJQBSA-N 2 0 346.431 -0.137 20 0 EBADRP NC(=O)c1ccccc1OCCNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220719083 811217373 /nfs/dbraw/zinc/21/73/73/811217373.db2.gz QNLMQNWGAHPGEZ-AWEZNQCLSA-N 2 0 349.435 -0.969 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CCO)C2)n1 ZINC001036719578 811230043 /nfs/dbraw/zinc/23/00/43/811230043.db2.gz GXJXEEXHBJIDOG-ZBFHGGJFSA-N 2 0 335.452 -0.027 20 0 EBADRP O=C(N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001220799376 811246640 /nfs/dbraw/zinc/24/66/40/811246640.db2.gz AANAQUZTLDPUQD-HBNTYKKESA-N 2 0 348.369 -0.241 20 0 EBADRP NC(=O)NCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220801506 811246995 /nfs/dbraw/zinc/24/69/95/811246995.db2.gz ZYEYUFMLEBWOKD-HRDYMLBCSA-N 2 0 325.335 -0.581 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220806222 811248249 /nfs/dbraw/zinc/24/82/49/811248249.db2.gz ZCGISOJDWCBPTQ-SDDRHHMPSA-N 3 0 337.390 -0.607 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2Cc3cc(O)ccc3C[NH2+]2)C[NH2+]C1 ZINC001220827495 811256463 /nfs/dbraw/zinc/25/64/63/811256463.db2.gz PWPWSEWKTYCCJJ-AWEZNQCLSA-N 2 0 331.372 -0.057 20 0 EBADRP CCOC(=O)C1=C(NC(=O)CNC(=O)[C@@H]([NH3+])[C@@H](C)CC)C[NH2+]C1 ZINC001220829976 811258439 /nfs/dbraw/zinc/25/84/39/811258439.db2.gz IDMXCPLFWLITQH-ZANVPECISA-N 2 0 326.397 -0.987 20 0 EBADRP CCOC(=O)C1(NC(=O)C[C@@H]([NH3+])CCC(=O)OC(C)(C)C)C[NH2+]C1 ZINC001220851523 811266363 /nfs/dbraw/zinc/26/63/63/811266363.db2.gz YYKXUOMEHNSGMX-NSHDSACASA-N 2 0 343.424 -0.153 20 0 EBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220857948 811269990 /nfs/dbraw/zinc/26/99/90/811269990.db2.gz ZFOQMGLVTDTERS-RYUDHWBXSA-N 2 0 331.482 -0.110 20 0 EBADRP [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@@H]1C[C@H]([NH3+])CN1 ZINC001220870982 811276725 /nfs/dbraw/zinc/27/67/25/811276725.db2.gz RDFNWMOAZOAHJU-UWVGGRQHSA-N 2 0 328.214 -0.561 20 0 EBADRP O=C(N[C@@H]1CCN(C(=O)c2ccncc2)C1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220920788 811295207 /nfs/dbraw/zinc/29/52/07/811295207.db2.gz NMMSXCCNFBKRQW-ZIAGYGMSSA-N 2 0 329.404 -0.779 20 0 EBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220930630 811297712 /nfs/dbraw/zinc/29/77/12/811297712.db2.gz SJNTVDJDMUWLTG-NQBHXWOUSA-N 2 0 327.429 -0.741 20 0 EBADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001220937488 811301899 /nfs/dbraw/zinc/30/18/99/811301899.db2.gz SSJQWOMAQVDPCK-ZIAGYGMSSA-N 2 0 333.436 -0.371 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001220968922 811315490 /nfs/dbraw/zinc/31/54/90/811315490.db2.gz IEZGECKEWBZEOR-HNNXBMFYSA-N 3 0 347.463 -0.311 20 0 EBADRP N[C@@H](CC[NH3+])C(=O)N1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001220971061 811316919 /nfs/dbraw/zinc/31/69/19/811316919.db2.gz RUEYAJPJZHFQCP-AWEZNQCLSA-N 2 0 333.436 -0.701 20 0 EBADRP [NH3+]C1(C(=O)NCc2ccccc2)CCN(C(=O)[C@H]2[NH2+]CC[C@@H]2O)CC1 ZINC001220971217 811317202 /nfs/dbraw/zinc/31/72/02/811317202.db2.gz XVPCSJKVAGRFLD-GJZGRUSLSA-N 2 0 346.431 -0.655 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O ZINC001220985987 811326792 /nfs/dbraw/zinc/32/67/92/811326792.db2.gz NIHLPSAZLWWJGA-BMFZPTHFSA-N 2 0 325.453 -0.084 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC1CN(c2ncnc3ccccc32)C1 ZINC001220988797 811329957 /nfs/dbraw/zinc/32/99/57/811329957.db2.gz WWGLCZNSPGAIIZ-ZDUSSCGKSA-N 2 0 346.460 -0.046 20 0 EBADRP COc1cccc(CNC(=O)CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c1 ZINC001221060848 811358500 /nfs/dbraw/zinc/35/85/00/811358500.db2.gz QTWLIHIXCGLBGC-MRXNPFEDSA-N 2 0 334.420 -0.246 20 0 EBADRP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073051 811363142 /nfs/dbraw/zinc/36/31/42/811363142.db2.gz DDDDYQXKFTXVJZ-ZNMIVQPWSA-N 2 0 329.441 -0.969 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001037118409 811370284 /nfs/dbraw/zinc/37/02/84/811370284.db2.gz ZSLZNEZPPXCQDN-STQMWFEESA-N 2 0 333.440 -0.320 20 0 EBADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221115961 811384003 /nfs/dbraw/zinc/38/40/03/811384003.db2.gz FONVOMRSKLBXBQ-STQMWFEESA-N 2 0 333.436 -0.329 20 0 EBADRP O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221121916 811384506 /nfs/dbraw/zinc/38/45/06/811384506.db2.gz XUMDBZKBMKCXTF-NVXWUHKLSA-N 3 0 329.448 -0.024 20 0 EBADRP CCOC(=O)C1(C(=O)NC2(c3cccnc3)CC[NH2+]CC2)C[NH2+]C1 ZINC001221123615 811384898 /nfs/dbraw/zinc/38/48/98/811384898.db2.gz BQTDZHUFGFSNBW-UHFFFAOYSA-N 2 0 332.404 -0.071 20 0 EBADRP COCCC1([NH3+])CCN(C(=O)[C@H](CCCC[NH3+])NC(C)=O)CC1 ZINC001221136951 811388847 /nfs/dbraw/zinc/38/88/47/811388847.db2.gz YPNOYTQQXQMXAD-AWEZNQCLSA-N 2 0 328.457 -0.024 20 0 EBADRP O=C(NCCN1CCCS1(=O)=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221335519 811443410 /nfs/dbraw/zinc/44/34/10/811443410.db2.gz HNYJDMMYMDNABG-LBPRGKRZSA-N 2 0 330.454 -0.988 20 0 EBADRP NC1=CC=C(C2CCN(C(=O)[C@@H]3CCCN3C(=O)C[NH3+])CC2)[NH2+]C1 ZINC001221392985 811448758 /nfs/dbraw/zinc/44/87/58/811448758.db2.gz RYCVNPDMCGCBMB-HNNXBMFYSA-N 2 0 333.436 -0.496 20 0 EBADRP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)N1CCC(C2=CC=C(N)C[NH2+]2)CC1 ZINC001221391188 811448810 /nfs/dbraw/zinc/44/88/10/811448810.db2.gz CNQVCGHNOWQORV-ZBFHGGJFSA-N 2 0 334.420 -0.294 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCc1ccc2oc(=O)[nH]c2c1 ZINC001221387200 811449560 /nfs/dbraw/zinc/44/95/60/811449560.db2.gz ZMFSBTDHARMOQY-GFCCVEGCSA-N 2 0 333.392 -0.100 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21)C1CC1 ZINC001221616703 811501075 /nfs/dbraw/zinc/50/10/75/811501075.db2.gz RCJZXGAYDCJAPT-OAGGEKHMSA-N 2 0 325.453 -0.132 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001222613399 811647917 /nfs/dbraw/zinc/64/79/17/811647917.db2.gz ZRFZADQWQXYLRL-DGCLKSJQSA-N 2 0 339.440 -0.508 20 0 EBADRP CC(C)[C@@H](C(=O)NCC1CC[NH+](CC(=O)NC(N)=O)CC1)[NH+](C)C ZINC001223525378 811712697 /nfs/dbraw/zinc/71/26/97/811712697.db2.gz SJVBYZVJXRKYDR-AWEZNQCLSA-N 2 0 341.456 -0.404 20 0 EBADRP CC[C@@H](C(=O)NCC1CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1)[NH+](C)C ZINC001224591776 811766856 /nfs/dbraw/zinc/76/68/56/811766856.db2.gz COQZHEINNAIWPI-YPMHNXCESA-N 2 0 341.456 -0.262 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC001224894474 811782085 /nfs/dbraw/zinc/78/20/85/811782085.db2.gz LOCGXDDGYWEODG-LBPRGKRZSA-N 2 0 341.456 -0.260 20 0 EBADRP CN1CC[C@@H]([NH+]2CCC(CNC(=O)COCC[NH+](C)C)CC2)C1=O ZINC001225167912 811796940 /nfs/dbraw/zinc/79/69/40/811796940.db2.gz FPXYKCVPWWVKEG-OAHLLOKOSA-N 2 0 340.468 -0.377 20 0 EBADRP CCN(C(=O)COCC[NH+](C)C)C1CN(C(=O)CC[N@H+](C)CC)C1 ZINC001080138853 811913120 /nfs/dbraw/zinc/91/31/20/811913120.db2.gz QZVYYTCGVIULRR-UHFFFAOYSA-N 2 0 342.484 -0.034 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](CCN2CCNC2=O)CC1)C1CC1 ZINC001227816655 811943273 /nfs/dbraw/zinc/94/32/73/811943273.db2.gz GUAGCWUPKJHNMM-OAHLLOKOSA-N 2 0 337.468 -0.068 20 0 EBADRP COCCOC[C@H](O)C[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001229008761 812008398 /nfs/dbraw/zinc/00/83/98/812008398.db2.gz WIAQYWCOJOXAPL-OAHLLOKOSA-N 2 0 331.457 -0.457 20 0 EBADRP COC[C@@H](C)OC[C@@H](O)C[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001228999750 812008876 /nfs/dbraw/zinc/00/88/76/812008876.db2.gz VGRKJBAXBCRCST-ZBFHGGJFSA-N 2 0 345.484 -0.069 20 0 EBADRP CC[C@@H](C(=O)NC1CC[NH+](CCN2C(=O)CNC2=O)CC1)[NH+](C)C ZINC001229253345 812022899 /nfs/dbraw/zinc/02/28/99/812022899.db2.gz CIFAJANLOAQKRY-ZDUSSCGKSA-N 2 0 339.440 -0.541 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001229504283 812036870 /nfs/dbraw/zinc/03/68/70/812036870.db2.gz UBNOWCVDGWYROV-CHWSQXEVSA-N 2 0 338.456 -0.033 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001230149895 812080419 /nfs/dbraw/zinc/08/04/19/812080419.db2.gz TWBPVDDSMOTKEG-RRFJBIMHSA-N 2 0 340.468 -0.282 20 0 EBADRP COC[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001230275563 812096173 /nfs/dbraw/zinc/09/61/73/812096173.db2.gz SLPCDXAQYYRUGA-HOCLYGCPSA-N 2 0 343.468 -0.457 20 0 EBADRP CCN1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2C)C1 ZINC001080976585 812416118 /nfs/dbraw/zinc/41/61/18/812416118.db2.gz CEIUTWUJDHOPGS-RBSFLKMASA-N 2 0 336.440 -0.565 20 0 EBADRP CN(C)C(=O)CN1C[C@H]2CC[N@H+](CCCC[NH3+])CC[C@H]2S1(=O)=O ZINC001235626980 812503942 /nfs/dbraw/zinc/50/39/42/812503942.db2.gz ZVZZNTJHDIQZKH-ZIAGYGMSSA-N 2 0 346.497 -0.461 20 0 EBADRP NC(=O)[C@H]1CN(Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)CC[NH2+]1 ZINC001235754872 812511784 /nfs/dbraw/zinc/51/17/84/812511784.db2.gz WGTVOYVSLASPDM-OAHLLOKOSA-N 2 0 343.435 -0.545 20 0 EBADRP COC(=O)C[C@@H]1C[NH2+]CCN1Cc1ccc(N2CC[NH2+]CC2)nc1 ZINC001235849445 812514165 /nfs/dbraw/zinc/51/41/65/812514165.db2.gz NZXGOSQCBCABLI-OAHLLOKOSA-N 2 0 333.436 -0.172 20 0 EBADRP C[C@@H]1NC=C2C(=O)OCCC2=C1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871492 812514716 /nfs/dbraw/zinc/51/47/16/812514716.db2.gz UPJQTYUIFSHZSS-AWEZNQCLSA-N 2 0 349.479 -0.810 20 0 EBADRP C[C@H]1NC=C2C(=O)OCCC2=C1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871498 812514736 /nfs/dbraw/zinc/51/47/36/812514736.db2.gz UPJQTYUIFSHZSS-CQSZACIVSA-N 2 0 349.479 -0.810 20 0 EBADRP c1cc(N2CC[NH2+]CC2)ncc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235874284 812514775 /nfs/dbraw/zinc/51/47/75/812514775.db2.gz OVXDWDGJSXFAHV-UHFFFAOYSA-N 3 0 347.511 -0.924 20 0 EBADRP CC(=O)OCc1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])o1 ZINC001236310618 812516554 /nfs/dbraw/zinc/51/65/54/812516554.db2.gz JYOZZAUEWARYEQ-UHFFFAOYSA-N 2 0 340.424 -0.042 20 0 EBADRP CCOC(=O)c1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c[nH]1 ZINC001236310946 812517054 /nfs/dbraw/zinc/51/70/54/812517054.db2.gz CKAKBYCUEUOKIW-UHFFFAOYSA-N 2 0 339.440 -0.193 20 0 EBADRP C[NH+]1CCN(c2ccc(NS(=O)(=O)CC[NH3+])cc2CO)CC1 ZINC001237630539 812522552 /nfs/dbraw/zinc/52/25/52/812522552.db2.gz UWXUBDUBLVYELT-UHFFFAOYSA-N 2 0 328.438 -0.369 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238414598 812528425 /nfs/dbraw/zinc/52/84/25/812528425.db2.gz VBTMDRYDNNKPNH-CHWSQXEVSA-N 2 0 333.454 -0.553 20 0 EBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1CCN(C2CC[NH2+]CC2)C1 ZINC001238809942 812532390 /nfs/dbraw/zinc/53/23/90/812532390.db2.gz BAUOFOIDJXTEDC-AWEZNQCLSA-N 2 0 330.498 -0.268 20 0 EBADRP CNC(=O)c1ccc(S(=O)(=O)NCCC[NH2+]CCC[NH3+])cc1 ZINC001238878469 812534986 /nfs/dbraw/zinc/53/49/86/812534986.db2.gz GNMWHPPNSROZFM-UHFFFAOYSA-N 2 0 328.438 -0.347 20 0 EBADRP COCC[N@@H+]1CCOC[C@]2(CCCN(S(=O)(=O)CC[NH3+])C2)C1 ZINC001239077141 812540598 /nfs/dbraw/zinc/54/05/98/812540598.db2.gz YRAQSTNFUAMFIF-CQSZACIVSA-N 2 0 335.470 -0.664 20 0 EBADRP C[NH+](C)CCOCc1ncn2c1CN(S(=O)(=O)CC[NH3+])CCC2 ZINC001239082874 812543318 /nfs/dbraw/zinc/54/33/18/812543318.db2.gz LWQUMWFOJNYMFN-UHFFFAOYSA-N 2 0 345.469 -0.545 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1cccs1 ZINC001239131811 812547618 /nfs/dbraw/zinc/54/76/18/812547618.db2.gz USTNVUAGNSUYKD-UHFFFAOYSA-N 2 0 334.467 -0.447 20 0 EBADRP [NH3+][C@@H]1CCN(C2CCN(S(=O)(=O)CC3CC[NH2+]CC3)CC2)C1 ZINC001239163141 812550183 /nfs/dbraw/zinc/55/01/83/812550183.db2.gz QCJHUQNSAIHOKY-CQSZACIVSA-N 2 0 330.498 -0.187 20 0 EBADRP CCOC(=O)C[C@@]1(NC[C@@H](O)CC2(O)CC[NH2+]CC2)CC[NH2+]C1 ZINC001245979398 812557233 /nfs/dbraw/zinc/55/72/33/812557233.db2.gz IWXCPBMADWISQE-ZFWWWQNUSA-N 2 0 329.441 -0.873 20 0 EBADRP O[C@@H](CNC[C@@]1(C(F)(F)F)CC[NH2+]C1)CC1(O)CC[NH2+]CC1 ZINC001245981171 812557294 /nfs/dbraw/zinc/55/72/94/812557294.db2.gz GYTNQMPEONQIRP-VXGBXAGGSA-N 2 0 325.375 -0.017 20 0 EBADRP OCCc1ccc(OC[C@H](O)C[NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)cc1 ZINC001245973295 812557360 /nfs/dbraw/zinc/55/73/60/812557360.db2.gz JVPBFPPOJJVAAQ-HYVNUMGLSA-N 2 0 342.411 -0.387 20 0 EBADRP O[C@H](C[NH2+]C[C@@]12CCCO[C@@H]1CC[NH2+]C2)CC1(O)CC[NH2+]CC1 ZINC001245982791 812557454 /nfs/dbraw/zinc/55/74/54/812557454.db2.gz JXVQUPKWBYSGGW-XHSDSOJGSA-N 3 0 327.469 -0.400 20 0 EBADRP CCOC1(OCC)CC[NH2+]C[C@@H]1NC[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001245982099 812557696 /nfs/dbraw/zinc/55/76/96/812557696.db2.gz JYJRSABOYAOKNJ-GJZGRUSLSA-N 2 0 345.484 -0.427 20 0 EBADRP CCOC(=O)C[C@@]1(NC[C@H](O)CC2(O)CC[NH2+]CC2)CC[NH2+]C1 ZINC001245979396 812557736 /nfs/dbraw/zinc/55/77/36/812557736.db2.gz IWXCPBMADWISQE-HIFRSBDPSA-N 2 0 329.441 -0.873 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC[C@@]1(O)CCC[NH2+]C1 ZINC001246004200 812558294 /nfs/dbraw/zinc/55/82/94/812558294.db2.gz SHAJQIZSNIEENN-ARFHVFGLSA-N 2 0 329.391 -0.100 20 0 EBADRP CCOC(=O)CC1(NC[C@H](O)CC2(O)CC[NH2+]CC2)CC[NH2+]CC1 ZINC001246007310 812558308 /nfs/dbraw/zinc/55/83/08/812558308.db2.gz WRIXZQUPWVNFCQ-CQSZACIVSA-N 2 0 343.468 -0.483 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCOC12C[NH2+]C2 ZINC001245988368 812558528 /nfs/dbraw/zinc/55/85/28/812558528.db2.gz VMZAFFCOLRVCLW-ZNMIVQPWSA-N 2 0 327.375 -0.084 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246023326 812559135 /nfs/dbraw/zinc/55/91/35/812559135.db2.gz CNXYJEBJZMTEFK-BBWFWOEESA-N 2 0 340.418 -0.167 20 0 EBADRP CCOC(=O)[C@@]12CN(C[C@]3(O)CCC[NH2+]C3)C[C@@H]1C[NH2+]CCC2 ZINC001246031488 812559263 /nfs/dbraw/zinc/55/92/63/812559263.db2.gz QPESXWJIWUBMKE-XIRDDKMYSA-N 2 0 325.453 -0.034 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CC[NH2+][C@@H](CCO)C1 ZINC001246047996 812561428 /nfs/dbraw/zinc/56/14/28/812561428.db2.gz GXVBWTLNBCFJIJ-HRCADAONSA-N 2 0 329.391 -0.148 20 0 EBADRP C[NH+](C)CCN(C[C@@H](O)CC1(O)CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001246061190 812562268 /nfs/dbraw/zinc/56/22/68/812562268.db2.gz XMQBKNNDABECRM-INIZCTEOSA-N 3 0 328.501 -0.533 20 0 EBADRP COC(=O)[C@H]1CN(C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)C[C@H]1[NH3+] ZINC001246053533 812562711 /nfs/dbraw/zinc/56/27/11/812562711.db2.gz SBTBUXZQQGWZCJ-BYNSBNAKSA-N 2 0 343.374 -0.372 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1C[C@@H]([NH3+])C2(COC2)C1 ZINC001246066200 812563370 /nfs/dbraw/zinc/56/33/70/812563370.db2.gz SCHGHJUSIYNXFQ-RRFJBIMHSA-N 2 0 327.375 -0.145 20 0 EBADRP [NH3+]C1CCN([C@@H]2CC[N@H+](C[C@@H](O)CC3(O)CC[NH2+]CC3)C2)CC1 ZINC001246072307 812563514 /nfs/dbraw/zinc/56/35/14/812563514.db2.gz YUZWRXCBFVUOHB-CVEARBPZSA-N 3 0 326.485 -0.651 20 0 EBADRP O=C([C@@H]1C[C@H](NC[C@]2(O)CCCC[NH2+]C2)C[NH2+]1)N1CCSC1 ZINC001246098216 812564762 /nfs/dbraw/zinc/56/47/62/812564762.db2.gz QAGZNPDEJVTNKK-YDHLFZDLSA-N 2 0 328.482 -0.656 20 0 EBADRP O=C([C@@H]1C[C@@H]([NH2+]C[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)CN1)N1CCSC1 ZINC001246128756 812565033 /nfs/dbraw/zinc/56/50/33/812565033.db2.gz BTUOUDXVDUMPDO-XGFWRYKXSA-N 2 0 326.466 -0.926 20 0 EBADRP COC(=O)[C@@H](N[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)C(C)(C)[NH3+] ZINC001246125218 812565218 /nfs/dbraw/zinc/56/52/18/812565218.db2.gz HWESECOYTFLDAZ-GARJFASQSA-N 2 0 330.454 -0.882 20 0 EBADRP CCOC(=O)CC1(N[C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C[NH2+]C1 ZINC001246247388 812569339 /nfs/dbraw/zinc/56/93/39/812569339.db2.gz GJXDLWAWDOXNMN-RYUDHWBXSA-N 2 0 342.465 -0.865 20 0 EBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCNCC[NH3+])CCN1C(=O)c1ccccc1 ZINC001246402866 812572206 /nfs/dbraw/zinc/57/22/06/812572206.db2.gz BUVPEPCCPLUYGN-HOTGVXAUSA-N 2 0 348.447 -0.029 20 0 EBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCCC2)CCN1 ZINC001246518834 812574614 /nfs/dbraw/zinc/57/46/14/812574614.db2.gz KHAPQDAWDOVUCF-ILXRZTDVSA-N 2 0 340.468 -0.010 20 0 EBADRP COC(=O)C1C[C@@H]2CC(N3CC[NH2+]C[C@H]3C(=O)OC)C[C@H](C1)[NH2+]2 ZINC001246621448 812576458 /nfs/dbraw/zinc/57/64/58/812576458.db2.gz LQIHPDHTUDKBAW-XGVQBZMBSA-N 2 0 325.409 -0.495 20 0 EBADRP C1CO[C@@]2(CN1)COCC[N@@H+](C1CCC3(CC1)C[NH2+]CCO3)C2 ZINC001246607943 812576537 /nfs/dbraw/zinc/57/65/37/812576537.db2.gz UUWZCFAUXXBDEI-OFLPRAFFSA-N 2 0 325.453 -0.022 20 0 EBADRP CCOC(=O)[C@@]12C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]1C[NH2+]CCC2 ZINC001246596641 812576580 /nfs/dbraw/zinc/57/65/80/812576580.db2.gz QIIVSYBNIPLKJQ-DAYGRLMNSA-N 3 0 336.480 -0.055 20 0 EBADRP C1[NH2+]CC12C[C@@H]([NH+]1CCN(C3=NOC4(C3)CC[NH2+]CC4)CC1)CCN2 ZINC001246662818 812579192 /nfs/dbraw/zinc/57/91/92/812579192.db2.gz BGLBMSQUVMHAGW-HNNXBMFYSA-N 3 0 348.495 -0.446 20 0 EBADRP CCOC(=O)[C@@]12C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246675937 812580741 /nfs/dbraw/zinc/58/07/41/812580741.db2.gz BOCBNAGSJIDFCZ-MPGHIAIKSA-N 3 0 336.480 -0.055 20 0 EBADRP CC(=O)N1CCOC[C@]2(C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)CCO2)C1 ZINC001246723491 812583722 /nfs/dbraw/zinc/58/37/22/812583722.db2.gz JKBMXOHPJBCQKL-DOTOQJQBSA-N 2 0 338.452 -0.970 20 0 EBADRP CC(=O)NCc1ncn2c1C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246766652 812586168 /nfs/dbraw/zinc/58/61/68/812586168.db2.gz OGTRQCQDNHTKPP-AWEZNQCLSA-N 2 0 332.452 -0.181 20 0 EBADRP O=C(C1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1)N1CCC(=O)CC1 ZINC001246807962 812588920 /nfs/dbraw/zinc/58/89/20/812588920.db2.gz ALHXYAUPLYRZKM-OAHLLOKOSA-N 2 0 334.464 -0.016 20 0 EBADRP O=C(C1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1)N1CCC(=O)CC1 ZINC001246807961 812589264 /nfs/dbraw/zinc/58/92/64/812589264.db2.gz ALHXYAUPLYRZKM-HNNXBMFYSA-N 2 0 334.464 -0.016 20 0 EBADRP CC(C)(C)OC(=O)[C@@H]1C[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)CN1 ZINC001246821241 812589328 /nfs/dbraw/zinc/58/93/28/812589328.db2.gz NDMISGRKJWUJBS-GJZGRUSLSA-N 2 0 341.500 -0.857 20 0 EBADRP NC(=O)C1CC[NH+](C2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)CC1 ZINC001246867528 812591265 /nfs/dbraw/zinc/59/12/65/812591265.db2.gz YLFLJPSUCCWWQK-INIZCTEOSA-N 3 0 335.496 -0.258 20 0 EBADRP COCCN([C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)[C@H]1CCC[NH2+]C1 ZINC001246927115 812592669 /nfs/dbraw/zinc/59/26/69/812592669.db2.gz GAMGRPWCRKMCKI-KKUMJFAQSA-N 2 0 342.509 -0.050 20 0 EBADRP COC(=O)[C@H]1CN(C2C[C@H]3CC(C(=O)OC)C[C@@H](C2)[NH2+]3)C[C@H]1[NH3+] ZINC001246935081 812592818 /nfs/dbraw/zinc/59/28/18/812592818.db2.gz XWTDPSHRMJRZTP-IBTTYHPWSA-N 2 0 325.409 -0.509 20 0 EBADRP COC(=O)[C@@H]1CCC[C@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])C1 ZINC001246926249 812592861 /nfs/dbraw/zinc/59/28/61/812592861.db2.gz RWIMUSKKDIDWPN-KGLIPLIRSA-N 3 0 328.457 -0.166 20 0 EBADRP COCCC[NH+]1CCC(N(CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001246927401 812592880 /nfs/dbraw/zinc/59/28/80/812592880.db2.gz ZTTDKFKVNYRORZ-UHFFFAOYSA-N 3 0 343.516 -0.397 20 0 EBADRP CCOC(=O)[C@H]1CC[C@@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])CO1 ZINC001246924138 812592953 /nfs/dbraw/zinc/59/29/53/812592953.db2.gz GQCZXAFUEJRNRE-ZIAGYGMSSA-N 3 0 344.456 -0.787 20 0 EBADRP C[NH+]1CCC(C[NH+]2CCN(C[C@H](O)CN3CCOCC3)CC2)CC1 ZINC001251022068 812617736 /nfs/dbraw/zinc/61/77/36/812617736.db2.gz AXUJGVMTJGSTMT-SFHVURJKSA-N 2 0 340.512 -0.361 20 0 EBADRP C[NH+]1CCC(O)(C[NH2+]C2CCN(CCN3CCOCC3)CC2)CC1 ZINC001253109365 812672350 /nfs/dbraw/zinc/67/23/50/812672350.db2.gz AANXEIMLRZJJFD-UHFFFAOYSA-N 2 0 340.512 -0.171 20 0 EBADRP CC[NH+](CC)C[C@H](O)C[NH2+]CCCC[C@H](NC(C)=O)C(=O)NC ZINC001253211107 812676471 /nfs/dbraw/zinc/67/64/71/812676471.db2.gz AUZAKKAHUWYCPA-CABCVRRESA-N 2 0 330.473 -0.300 20 0 EBADRP CC[NH+](CC)C[C@@H](O)C[NH2+]CCCC[C@H](NC(C)=O)C(=O)NC ZINC001253211108 812676520 /nfs/dbraw/zinc/67/65/20/812676520.db2.gz AUZAKKAHUWYCPA-GJZGRUSLSA-N 2 0 330.473 -0.300 20 0 EBADRP CN1CCC[C@@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C1 ZINC001255475310 812714706 /nfs/dbraw/zinc/71/47/06/812714706.db2.gz NXGKBGPYQRTFPZ-MRXNPFEDSA-N 2 0 333.473 -0.305 20 0 EBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001256490998 812733926 /nfs/dbraw/zinc/73/39/26/812733926.db2.gz ZVNABMJIFTUBPI-UTUOFQBUSA-N 2 0 331.413 -0.163 20 0 EBADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](C[NH2+]C2CCN(S(C)(=O)=O)CC2)O1 ZINC001257228795 812755820 /nfs/dbraw/zinc/75/58/20/812755820.db2.gz XQDLJDDAQHEHDN-MCIONIFRSA-N 2 0 335.470 -0.275 20 0 EBADRP C[NH+]1CCC(n2cc(NC(=O)C(=O)N[C@]3(C)CC[NH2+]C3)cn2)CC1 ZINC001261875053 813003555 /nfs/dbraw/zinc/00/35/55/813003555.db2.gz SRQGJZUQUPBKRV-MRXNPFEDSA-N 2 0 334.424 -0.044 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1c(C[NH3+])cnn1C ZINC001262007681 813028600 /nfs/dbraw/zinc/02/86/00/813028600.db2.gz NKURSMNNRNWGPK-ZDUSSCGKSA-N 2 0 336.440 -0.449 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC001262064409 813031158 /nfs/dbraw/zinc/03/11/58/813031158.db2.gz ZQBPGUKMUDMDBL-KGLIPLIRSA-N 2 0 325.457 -0.922 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081503643 813088557 /nfs/dbraw/zinc/08/85/57/813088557.db2.gz QRDGBMKMHBHBLC-HUUCEWRRSA-N 2 0 338.452 -0.887 20 0 EBADRP CN(C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1(C[NH3+])CCOCC1 ZINC001262544797 813092258 /nfs/dbraw/zinc/09/22/58/813092258.db2.gz KRMZBSXKVCANIV-KGLIPLIRSA-N 2 0 338.452 -0.304 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC001262587939 813098064 /nfs/dbraw/zinc/09/80/64/813098064.db2.gz QHGPHFCLVQTUTA-TZMCWYRMSA-N 2 0 325.457 -0.034 20 0 EBADRP [NH3+]CCN1CCC[C@H](C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C1=O ZINC001263187194 813108942 /nfs/dbraw/zinc/10/89/42/813108942.db2.gz COGHYWALMVFFAA-UONOGXRCSA-N 2 0 338.452 -0.541 20 0 EBADRP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NC[C@@H]1CCOC1 ZINC001264971467 813207760 /nfs/dbraw/zinc/20/77/60/813207760.db2.gz TYTWSFNYQMTSIW-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001081575740 813217020 /nfs/dbraw/zinc/21/70/20/813217020.db2.gz YHTWIPJSXWBOIV-LSDHHAIUSA-N 2 0 340.468 -0.785 20 0 EBADRP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NC(=O)NC1CC1 ZINC001265069013 813234825 /nfs/dbraw/zinc/23/48/25/813234825.db2.gz XXNHHODHRLSUKJ-LBPRGKRZSA-N 2 0 339.440 -0.636 20 0 EBADRP COC[C@H](O)C[NH+]1CCN(CCCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001265254276 813277521 /nfs/dbraw/zinc/27/75/21/813277521.db2.gz FTIXNJTYQFTVQB-HZPDHXFCSA-N 2 0 342.484 -0.931 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001265494857 813332006 /nfs/dbraw/zinc/33/20/06/813332006.db2.gz VNJZUKAFNQCDDU-MGPQQGTHSA-N 2 0 331.482 0.000 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](C[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001265635300 813352320 /nfs/dbraw/zinc/35/23/20/813352320.db2.gz ULNTUGOGZBQHNI-ZIAGYGMSSA-N 2 0 331.482 -0.189 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001265862886 813391115 /nfs/dbraw/zinc/39/11/15/813391115.db2.gz KMPREEFQIHVUSY-NSHDSACASA-N 2 0 327.429 -0.508 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001265917425 813414597 /nfs/dbraw/zinc/41/45/97/813414597.db2.gz NXBCTHXOLFBFSR-LBPRGKRZSA-N 2 0 341.456 -0.390 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001265945886 813423622 /nfs/dbraw/zinc/42/36/22/813423622.db2.gz ZRGFUAULNNLQRE-AWEZNQCLSA-N 2 0 346.497 -0.398 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081701397 813439511 /nfs/dbraw/zinc/43/95/11/813439511.db2.gz VKVKHOUQTPLGFX-LSDHHAIUSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[C@H](C(=O)NCCC[N@H+](CC)[C@@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001266054029 813447046 /nfs/dbraw/zinc/44/70/46/813447046.db2.gz GCYKZRXFJIJSOS-CHWSQXEVSA-N 2 0 326.441 -0.040 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1O ZINC001081732645 813487864 /nfs/dbraw/zinc/48/78/64/813487864.db2.gz JLXUOIWQUZTVAP-KGLIPLIRSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081733122 813489057 /nfs/dbraw/zinc/48/90/57/813489057.db2.gz PICBLOUVCJFBMI-UONOGXRCSA-N 2 0 342.484 -0.396 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CCN1C(=O)CNC1=O)C1CC1 ZINC001266585923 813615342 /nfs/dbraw/zinc/61/53/42/813615342.db2.gz GXKRHKBOWPUHPE-CYBMUJFWSA-N 2 0 337.424 -0.787 20 0 EBADRP CC[C@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)[NH+](C)C ZINC001266989094 813722294 /nfs/dbraw/zinc/72/22/94/813722294.db2.gz SDNITEHJPUSIOD-UONOGXRCSA-N 2 0 348.513 -0.344 20 0 EBADRP C[C@H](O)C[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001267003023 813729962 /nfs/dbraw/zinc/72/99/62/813729962.db2.gz YMBIKJGHQUNSBN-KBPBESRZSA-N 2 0 328.457 -0.737 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001267091178 813756256 /nfs/dbraw/zinc/75/62/56/813756256.db2.gz YTHSNUGSLPXUBO-UHFFFAOYSA-N 2 0 341.456 -0.244 20 0 EBADRP CN(CC[NH2+]CC1(CS(C)(=O)=O)CC1)C(=O)C12CC[NH+](CC1)C2 ZINC001267456587 813902648 /nfs/dbraw/zinc/90/26/48/813902648.db2.gz BWCPMIOSHDNKKV-UHFFFAOYSA-N 2 0 343.493 -0.045 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)C[NH+]2CCCC2)C[C@@H](C)O1 ZINC001267469686 813907429 /nfs/dbraw/zinc/90/74/29/813907429.db2.gz OLLBOAKVFIPZTC-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)[C@H](C(=O)N(C)CC[NH2+][C@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001267474299 813910922 /nfs/dbraw/zinc/91/09/22/813910922.db2.gz PEUZYBNORPGERZ-DZGCQCFKSA-N 2 0 338.452 -0.040 20 0 EBADRP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCN1C(=O)CNC1=O ZINC001267801015 814045015 /nfs/dbraw/zinc/04/50/15/814045015.db2.gz RGYNBXKMOHKZRH-CHWSQXEVSA-N 2 0 339.440 -0.493 20 0 EBADRP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCN1C(=O)CNC1=O ZINC001267818712 814048860 /nfs/dbraw/zinc/04/88/60/814048860.db2.gz MSMWQPPTUQNHLI-CYBMUJFWSA-N 2 0 339.440 -0.636 20 0 EBADRP C[C@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268087061 814121766 /nfs/dbraw/zinc/12/17/66/814121766.db2.gz PEOOQPPEGNVRGU-QWHCGFSZSA-N 2 0 334.486 -0.686 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001268152346 814135207 /nfs/dbraw/zinc/13/52/07/814135207.db2.gz XHKBYSVFBXSJPZ-QWHCGFSZSA-N 2 0 339.440 -0.364 20 0 EBADRP C[C@H](C(=O)NC[C@@H](O)C[NH2+]CCn1cncn1)[NH+]1CCCCCC1 ZINC001268323829 814201934 /nfs/dbraw/zinc/20/19/34/814201934.db2.gz KOOPTEUTZFBYLP-CABCVRRESA-N 2 0 338.456 -0.391 20 0 EBADRP C[C@H](CC[NH2+]Cc1cn(C)nn1)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001268423719 814239548 /nfs/dbraw/zinc/23/95/48/814239548.db2.gz OXFQPEHVXNTTJU-ZIAGYGMSSA-N 2 0 338.456 -0.232 20 0 EBADRP CCN(CC[NH2+]CC(=O)NC(N)=O)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001268486069 814261465 /nfs/dbraw/zinc/26/14/65/814261465.db2.gz LREHKFMTNNUHPM-STQMWFEESA-N 2 0 339.440 -0.364 20 0 EBADRP CCN(CC[NH2+]CC(=O)NC(N)=O)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001268486068 814261789 /nfs/dbraw/zinc/26/17/89/814261789.db2.gz LREHKFMTNNUHPM-QWHCGFSZSA-N 2 0 339.440 -0.364 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268542415 814281789 /nfs/dbraw/zinc/28/17/89/814281789.db2.gz PNQACDVCGMMCKV-NTQVKLLNSA-N 2 0 339.440 -0.566 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC/C=C\C[NH2+]CC(=O)N(C)C ZINC001268625994 814325895 /nfs/dbraw/zinc/32/58/95/814325895.db2.gz XBANYIUNQYUPFX-ZRUQZJFASA-N 2 0 326.441 -0.695 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268674274 814347994 /nfs/dbraw/zinc/34/79/94/814347994.db2.gz OCXXWQATRXUOTQ-OLZOCXBDSA-N 2 0 341.456 -0.342 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001268795387 814388779 /nfs/dbraw/zinc/38/87/79/814388779.db2.gz ISNGGXORZMXYSU-STQMWFEESA-N 2 0 341.456 -0.118 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268803067 814391752 /nfs/dbraw/zinc/39/17/52/814391752.db2.gz WCVMGLNLYDRLIG-LBPRGKRZSA-N 2 0 327.429 -0.636 20 0 EBADRP Cc1nccn1CCCC(=O)NCC1CN([C@@H]2CCC(=O)NC2=O)C1 ZINC001268887699 814429772 /nfs/dbraw/zinc/42/97/72/814429772.db2.gz DQUMTLWSSIKTDO-CQSZACIVSA-N 2 0 347.419 -0.175 20 0 EBADRP CN(C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)C(N)=[NH2+])C2 ZINC001268996159 814467591 /nfs/dbraw/zinc/46/75/91/814467591.db2.gz JBGWQIWLEABTCH-MRXNPFEDSA-N 2 0 338.456 -0.786 20 0 EBADRP CN(CC(=O)N1CCC2(C[NH+](CCn3ccnc3)C2)CC1)C(N)=[NH2+] ZINC001268996201 814467610 /nfs/dbraw/zinc/46/76/10/814467610.db2.gz JNQXUUGGOOKVSK-UHFFFAOYSA-N 2 0 333.440 -0.367 20 0 EBADRP C[NH+](C)CCN1C[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)OCC1=O ZINC001269084670 814521712 /nfs/dbraw/zinc/52/17/12/814521712.db2.gz ROZKFTTZKGDGDY-WMLDXEAASA-N 2 0 338.452 -0.528 20 0 EBADRP O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001083523763 814521948 /nfs/dbraw/zinc/52/19/48/814521948.db2.gz RHQTWHXHJIVZNO-PMPSAXMXSA-N 2 0 325.453 -0.063 20 0 EBADRP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)[C@H]1CCC[N@H+](C)C1)C2 ZINC001269173005 814564474 /nfs/dbraw/zinc/56/44/74/814564474.db2.gz NLSUNIPUULVKCU-AWEZNQCLSA-N 2 0 338.452 -0.670 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001269186276 814572681 /nfs/dbraw/zinc/57/26/81/814572681.db2.gz CJDLDBRQVGYFPZ-UHFFFAOYSA-N 2 0 326.441 -0.670 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001269422662 814685623 /nfs/dbraw/zinc/68/56/23/814685623.db2.gz JUJKZIMRKKILMM-CHWSQXEVSA-N 2 0 336.436 -0.096 20 0 EBADRP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCN1C(=O)CNC1=O ZINC001269493171 814711751 /nfs/dbraw/zinc/71/17/51/814711751.db2.gz UCQXBEIQYGPXHK-LBPRGKRZSA-N 2 0 337.424 -0.882 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2O)cn1 ZINC001083851303 815649622 /nfs/dbraw/zinc/64/96/22/815649622.db2.gz YEWXDGHIWMUMFZ-KGLIPLIRSA-N 2 0 327.404 -0.421 20 0 EBADRP CS(=O)(=O)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001270050817 815674126 /nfs/dbraw/zinc/67/41/26/815674126.db2.gz PKSNSWVLGVJZJL-GJZGRUSLSA-N 2 0 343.493 -0.047 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001270129415 815694108 /nfs/dbraw/zinc/69/41/08/815694108.db2.gz PTRMUZOMCSHKLJ-LBPRGKRZSA-N 2 0 325.413 -0.930 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001270309007 815748471 /nfs/dbraw/zinc/74/84/71/815748471.db2.gz RMIBVHPHGHWUAJ-CQSZACIVSA-N 2 0 346.497 -0.398 20 0 EBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CCCN1C(=O)CNC1=O ZINC001270593726 815821829 /nfs/dbraw/zinc/82/18/29/815821829.db2.gz ASFNEMNOEJYPSZ-STQMWFEESA-N 2 0 339.440 -0.778 20 0 EBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CCN1CCCS1(=O)=O ZINC001270596218 815821903 /nfs/dbraw/zinc/82/19/03/815821903.db2.gz SAVTXNJHBQOTTL-CQSZACIVSA-N 2 0 346.497 -0.540 20 0 EBADRP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C ZINC001271098021 815985289 /nfs/dbraw/zinc/98/52/89/815985289.db2.gz ARMCPDIMCGSSID-YJNKXOJESA-N 2 0 338.452 -0.795 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)[C@H](C)C[NH2+]CCS(C)(=O)=O ZINC001271208394 816034764 /nfs/dbraw/zinc/03/47/64/816034764.db2.gz QDAWTSXNSRLHKF-ZIAGYGMSSA-N 2 0 349.497 -0.564 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001271423967 816102648 /nfs/dbraw/zinc/10/26/48/816102648.db2.gz AQJJUXITYGYDTJ-KGLIPLIRSA-N 2 0 348.513 -0.296 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)n1 ZINC001086088774 816226933 /nfs/dbraw/zinc/22/69/33/816226933.db2.gz PWVJVMZOCGOARY-HZSPNIEDSA-N 2 0 348.451 -0.569 20 0 EBADRP O=C(NC[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001086093487 816227525 /nfs/dbraw/zinc/22/75/25/816227525.db2.gz RRHIHRBQOCMZML-FZKCQIBNSA-N 2 0 348.451 -0.374 20 0 EBADRP Cn1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)nn1 ZINC001086091924 816227973 /nfs/dbraw/zinc/22/79/73/816227973.db2.gz SLKXMMPXSSKGIK-XRGAULLZSA-N 2 0 348.451 -0.337 20 0 EBADRP NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001086146262 816248875 /nfs/dbraw/zinc/24/88/75/816248875.db2.gz YUAZHWFQRCDLAV-TXEJJXNPSA-N 2 0 328.376 -0.149 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)C2)nc1=O ZINC001086186302 816265468 /nfs/dbraw/zinc/26/54/68/816265468.db2.gz QSIURPRKFGIQBH-BJHJDKERSA-N 2 0 336.440 -0.565 20 0 EBADRP CN1CC[NH+](CCCC(=O)N2[C@@H]3C[C@H]2CN(CC[NH+](C)C)C3)CC1 ZINC001272018307 816291020 /nfs/dbraw/zinc/29/10/20/816291020.db2.gz SUBOOYGUJWQLEA-CALCHBBNSA-N 2 0 337.512 -0.139 20 0 EBADRP C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1CC2(C1)CC[NH+](CCn1ccnc1)C2 ZINC001272273624 816379985 /nfs/dbraw/zinc/37/99/85/816379985.db2.gz SWJWBZUUGJCMHF-GJZGRUSLSA-N 2 0 333.436 -0.518 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N(CCO)CC[NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC001272307523 816392871 /nfs/dbraw/zinc/39/28/71/816392871.db2.gz RHACURGHJGFOIN-NEPJUHHUSA-N 2 0 341.374 -0.338 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001086784905 816405645 /nfs/dbraw/zinc/40/56/45/816405645.db2.gz ANCOFNGLIIEWJM-BFHYXJOUSA-N 2 0 326.441 -0.545 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)cn1 ZINC001086825507 816409423 /nfs/dbraw/zinc/40/94/23/816409423.db2.gz OAJXRBSZUJDSFX-GXTWGEPZSA-N 2 0 336.440 -0.582 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCc1cnn(C)c1 ZINC001272414700 816426317 /nfs/dbraw/zinc/42/63/17/816426317.db2.gz ROTBMLOWDGFUBI-JKSUJKDBSA-N 2 0 337.468 -0.098 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]CCCN2CCCC2=O)CC[N@@H+]1C ZINC001272425645 816427068 /nfs/dbraw/zinc/42/70/68/816427068.db2.gz OWEPFOUYONXTSD-QLFBSQMISA-N 2 0 340.468 -0.594 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1 ZINC001086996969 816440209 /nfs/dbraw/zinc/44/02/09/816440209.db2.gz DGCQPFMDNULRNY-VNQPRFMTSA-N 2 0 335.452 -0.219 20 0 EBADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]Cc1cnon1 ZINC001087100889 816464833 /nfs/dbraw/zinc/46/48/33/816464833.db2.gz JOAATKGLWCNOLD-UMVBOHGHSA-N 2 0 337.424 -0.026 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CC2(C1)CC[NH+](Cc1cn[nH]c1)C2 ZINC001272556204 816473929 /nfs/dbraw/zinc/47/39/29/816473929.db2.gz YPYNVEKJICHHEZ-OAHLLOKOSA-N 2 0 332.452 -0.310 20 0 EBADRP CCN1CCO[C@@H](C(=O)N2CC[C@H](CC[NH2+]CC(=O)N(C)C)C2)C1 ZINC001272642812 816499584 /nfs/dbraw/zinc/49/95/84/816499584.db2.gz XYYNSTQEDKCGMQ-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272863724 816540939 /nfs/dbraw/zinc/54/09/39/816540939.db2.gz AKLONKMWFNJCGD-OLZOCXBDSA-N 2 0 341.456 -0.199 20 0 EBADRP CNC(=O)C(C)(C)N1C(=O)COCC12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001273031173 816570518 /nfs/dbraw/zinc/57/05/18/816570518.db2.gz SZIRSTUTIYRAGI-UHFFFAOYSA-N 2 0 338.452 -0.576 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2C[C@@H]3C[N@@H+](CCO)CC[C@@H]3C2)cn1 ZINC001088136134 816631531 /nfs/dbraw/zinc/63/15/31/816631531.db2.gz XCXNFPSUSODEEW-ZBFHGGJFSA-N 2 0 335.452 -0.169 20 0 EBADRP Cn1cc(CC[NH2+]C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CCO2)cn1 ZINC001273342242 816648391 /nfs/dbraw/zinc/64/83/91/816648391.db2.gz IFSKQKYVDXKMBL-MRXNPFEDSA-N 2 0 347.463 -0.125 20 0 EBADRP COC(=O)[C@@H](C)C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273415835 816670785 /nfs/dbraw/zinc/67/07/85/816670785.db2.gz UGCLLXVIHMVYMM-BBRMVZONSA-N 2 0 327.425 -0.340 20 0 EBADRP CN(C)C(=O)CC[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001273837592 816780449 /nfs/dbraw/zinc/78/04/49/816780449.db2.gz CECUWHKDUWCFIJ-QGZVFWFLSA-N 2 0 338.452 -0.133 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001089038559 816786961 /nfs/dbraw/zinc/78/69/61/816786961.db2.gz BVOPALQFRDSJNC-AGIUHOORSA-N 2 0 337.424 -0.931 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001274034453 816844797 /nfs/dbraw/zinc/84/47/97/816844797.db2.gz FJJYUYDAWVXQSL-MKVKLZLISA-N 2 0 339.440 -0.567 20 0 EBADRP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3c[nH]ccc3=O)C2)OCC1=O ZINC001274452783 816966629 /nfs/dbraw/zinc/96/66/29/816966629.db2.gz NGHOQVRUNFHPHM-KRWDZBQOSA-N 2 0 334.420 -0.260 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001274518960 816989331 /nfs/dbraw/zinc/98/93/31/816989331.db2.gz MEISWDGGPWQBTN-FMFIFOJESA-N 2 0 327.429 -0.710 20 0 EBADRP C[NH+](C)CCN1c2ccccc2[C@]2(CC[N@H+](C[C@H](O)CO)C2)C1=O ZINC001274566103 817011549 /nfs/dbraw/zinc/01/15/49/817011549.db2.gz VLOOWTYEGAFVRQ-KBXCAEBGSA-N 2 0 333.432 -0.109 20 0 EBADRP CCOC[C@@H](O)C[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274568282 817014156 /nfs/dbraw/zinc/01/41/56/817014156.db2.gz VJAMMAMYEPGIPR-YOEHRIQHSA-N 2 0 341.452 -0.214 20 0 EBADRP C[NH+](C)CCNC(=S)N1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274880908 817103905 /nfs/dbraw/zinc/10/39/05/817103905.db2.gz ZEJCKMKHIDTSGX-MRXNPFEDSA-N 2 0 341.525 -0.092 20 0 EBADRP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]CCN1C(=O)CCC1=O ZINC001275471567 817225305 /nfs/dbraw/zinc/22/53/05/817225305.db2.gz SWUGLJKXSLRBNU-QWHCGFSZSA-N 2 0 338.452 -0.040 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001276032970 817344664 /nfs/dbraw/zinc/34/46/64/817344664.db2.gz ARAIYSWRVIYZRG-ZDUSSCGKSA-N 2 0 338.456 -0.079 20 0 EBADRP C[NH+](C)C1(C(=O)N2CCC(OCCC[NH2+]CC(N)=O)CC2)CCC1 ZINC001276164576 817367156 /nfs/dbraw/zinc/36/71/56/817367156.db2.gz NRCAWMDIJODQAK-UHFFFAOYSA-N 2 0 340.468 -0.057 20 0 EBADRP O=C(Cn1cccnc1=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC[NH2+]CC1 ZINC001276710380 817457936 /nfs/dbraw/zinc/45/79/36/817457936.db2.gz VZKSNIDUEIZKBU-IYBDPMFKSA-N 2 0 345.447 -0.082 20 0 EBADRP O=C(N[C@@H]1C[C@@H](C[NH2+]CCN2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001277075396 817517743 /nfs/dbraw/zinc/51/77/43/817517743.db2.gz VVTXSIGOBUPXEN-HDJSIYSDSA-N 2 0 335.452 -0.408 20 0 EBADRP C[C@H](CCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001277271790 817541013 /nfs/dbraw/zinc/54/10/13/817541013.db2.gz KKDWYIVJPQRHOK-OLZOCXBDSA-N 2 0 338.456 -0.033 20 0 EBADRP CN(C)C(=O)C[NH2+]C12CC(C(=O)Nc3cnn(CC[NH+](C)C)c3)(C1)C2 ZINC001277334313 817554029 /nfs/dbraw/zinc/55/40/29/817554029.db2.gz METXXEWZACMEFE-UHFFFAOYSA-N 2 0 348.451 -0.016 20 0 EBADRP C[NH+](C)CCNC(=S)N1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001277452073 817571857 /nfs/dbraw/zinc/57/18/57/817571857.db2.gz PEZGFKRXZHNWJX-OKILXGFUSA-N 2 0 329.514 -0.631 20 0 EBADRP C[N@H+](CCOCCNC(=O)C12CC[NH+](CC1)C2)[C@H]1CCCNC1=O ZINC001277535621 817594128 /nfs/dbraw/zinc/59/41/28/817594128.db2.gz QTCQBMCBMOGZIY-AWEZNQCLSA-N 2 0 338.452 -0.575 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001090639780 817604591 /nfs/dbraw/zinc/60/45/91/817604591.db2.gz ZZSJSEVLWLPFBG-CABCVRRESA-N 2 0 339.440 -0.744 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCOCCC[NH2+][C@H]1CCCNC1=O ZINC001277603597 817606500 /nfs/dbraw/zinc/60/65/00/817606500.db2.gz GNFZXFSMUPIRLQ-UONOGXRCSA-N 2 0 326.441 -0.528 20 0 EBADRP O=C(NCCn1ccnn1)C1=NO[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]12 ZINC001277821962 817640331 /nfs/dbraw/zinc/64/03/31/817640331.db2.gz PHHXPHXFFXUVHA-UONOGXRCSA-N 2 0 347.423 -0.920 20 0 EBADRP CN(C)C(=O)CNC(=O)[C@@H]1CCC2(C[NH+](CC3CC[NH2+]CC3)C2)O1 ZINC001277822744 817641455 /nfs/dbraw/zinc/64/14/55/817641455.db2.gz XTHUNKLSXYBJPX-AWEZNQCLSA-N 2 0 338.452 -0.576 20 0 EBADRP C[NH+]1CCC(NC(=O)C2=NO[C@@H]3C[N@H+](CC4(C)COC4)C[C@H]23)CC1 ZINC001277933050 817658041 /nfs/dbraw/zinc/65/80/41/817658041.db2.gz AVEXSQOYRYVSOR-UONOGXRCSA-N 2 0 336.436 -0.080 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH2+]CCNS(C)(=O)=O)C1 ZINC001277940284 817660273 /nfs/dbraw/zinc/66/02/73/817660273.db2.gz GYXMYGHCKJZBGB-KBPBESRZSA-N 2 0 346.497 -0.542 20 0 EBADRP COCCOC[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](C[C@H](C)O)CC3)[C@H]2C1 ZINC001277961479 817662953 /nfs/dbraw/zinc/66/29/53/817662953.db2.gz YHJCBQUIFRXREW-KKUMJFAQSA-N 2 0 341.452 -0.500 20 0 EBADRP C[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCn3ccnc3)C[C@H]12 ZINC001277961195 817663217 /nfs/dbraw/zinc/66/32/17/817663217.db2.gz UBPRCZXIONZLRH-BZUAXINKSA-N 2 0 347.463 -0.224 20 0 EBADRP CN1CC[N@H+](CCCN2CC[NH+](C)CC2)C[C@]2(CCCC(=O)N2)C1 ZINC001278116916 817702211 /nfs/dbraw/zinc/70/22/11/817702211.db2.gz ILYWCQSUEIJBJD-SFHVURJKSA-N 2 0 337.512 -0.090 20 0 EBADRP COCCOCN1CC2(C1)C[NH+](CCCN1CC[NH+](C)CC1)C2 ZINC001278117228 817703069 /nfs/dbraw/zinc/70/30/69/817703069.db2.gz OIIZATVIUOREHA-UHFFFAOYSA-N 2 0 326.485 -0.138 20 0 EBADRP C[C@@H]([NH2+]CCOCCN(C)C(=O)C12CC[NH+](CC1)C2)C(=O)N(C)C ZINC001279450458 817934321 /nfs/dbraw/zinc/93/43/21/817934321.db2.gz PIZTWUVIJABDGT-CQSZACIVSA-N 2 0 340.468 -0.377 20 0 EBADRP CCn1ccc(CNCCN(CCO)C(=O)[C@H]2CN(C)CCO2)n1 ZINC001279680958 817969401 /nfs/dbraw/zinc/96/94/01/817969401.db2.gz WGUOFTWLVZKMNA-OAHLLOKOSA-N 2 0 339.440 -0.856 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001091364808 817970379 /nfs/dbraw/zinc/97/03/79/817970379.db2.gz ODHIVJCZMDVTBB-SHARSMKWSA-N 2 0 338.452 -0.719 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(CCO)CC[NH2+]CC(=O)N2CCCC2)C1 ZINC001279830514 817991127 /nfs/dbraw/zinc/99/11/27/817991127.db2.gz DPLCOWIEFGHAAV-HNNXBMFYSA-N 2 0 340.468 -0.639 20 0 EBADRP Cc1cncn1CC(=O)N1CC[C@@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001280115038 818020781 /nfs/dbraw/zinc/02/07/81/818020781.db2.gz OCTVBUAQWRNYKS-GFCCVEGCSA-N 2 0 336.396 -0.785 20 0 EBADRP CNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001091677252 818030401 /nfs/dbraw/zinc/03/04/01/818030401.db2.gz OFLWQVPXRDHONT-RKVPGOIHSA-N 2 0 334.464 -0.146 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C)[C@H](C)C2)CC[N@@H+]1C ZINC001093779602 818100723 /nfs/dbraw/zinc/10/07/23/818100723.db2.gz KKASGTSLFDDGFL-AAVRWANBSA-N 2 0 335.456 -0.266 20 0 EBADRP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C)[C@H](C)C1 ZINC001094040422 818147945 /nfs/dbraw/zinc/14/79/45/818147945.db2.gz IPFPUKDRDCDVJT-MGPQQGTHSA-N 2 0 335.456 -0.122 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001094169113 818165027 /nfs/dbraw/zinc/16/50/27/818165027.db2.gz CSZQMGYWKZPHBE-MGPQQGTHSA-N 2 0 348.447 -0.429 20 0 EBADRP CCC[N@H+](C)CCC(=O)NC[C@H](C)[NH+](C)[C@@H]1CCC(=O)NC1=O ZINC001282486524 818440251 /nfs/dbraw/zinc/44/02/51/818440251.db2.gz QODXVURHAWLNRM-QWHCGFSZSA-N 2 0 326.441 -0.040 20 0 EBADRP COCCN1CC(N2C[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2=O)C1 ZINC001094807840 818497856 /nfs/dbraw/zinc/49/78/56/818497856.db2.gz GFISKHCWYURNPI-UONOGXRCSA-N 2 0 338.452 -0.624 20 0 EBADRP C[C@@H](CN(C)C(=O)C[NH+]1CCC(C)CC1)[NH2+]CCNS(C)(=O)=O ZINC001283692569 818907551 /nfs/dbraw/zinc/90/75/51/818907551.db2.gz RQKJANAWXOYXSL-AWEZNQCLSA-N 2 0 348.513 -0.296 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001283938793 819036237 /nfs/dbraw/zinc/03/62/37/819036237.db2.gz JZJPCRVSOWDUSN-GDBMZVCRSA-N 2 0 340.468 -0.186 20 0 EBADRP O=C(N[C@H]1CC[C@@H](C[NH2+]CCOCCO)C1)C12CC[NH+](CC1)C2 ZINC001284242767 819146415 /nfs/dbraw/zinc/14/64/15/819146415.db2.gz NBTDNZYKQHNUFH-CABCVRRESA-N 2 0 325.453 -0.034 20 0 EBADRP NC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001098368193 819154556 /nfs/dbraw/zinc/15/45/56/819154556.db2.gz HIZKAHNSNOHKFM-OAHLLOKOSA-N 2 0 338.452 -0.901 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](CCO)CC(N)=O)CC2)CC[N@@H+]1C ZINC001098371195 819155756 /nfs/dbraw/zinc/15/57/56/819155756.db2.gz KSPHVWFRZXPCBI-TZMCWYRMSA-N 2 0 326.441 -0.903 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](CCO)CCO)CC2)CC[N@@H+]1C ZINC001098370961 819156050 /nfs/dbraw/zinc/15/60/50/819156050.db2.gz DBYKKIBFSKQDIT-JKSUJKDBSA-N 2 0 327.469 -0.006 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC([NH+](CCO)CCO)CC1 ZINC001098384231 819161349 /nfs/dbraw/zinc/16/13/49/819161349.db2.gz OBMAXMDTGJMSJC-OAHLLOKOSA-N 2 0 333.448 -0.056 20 0 EBADRP CNC(=O)C[N@H+](CCO)C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001098391942 819166525 /nfs/dbraw/zinc/16/65/25/819166525.db2.gz LUCZRQHFZBPEEO-UHFFFAOYSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CCC([N@H+](CCO)CCCO)CC1)C1CC1 ZINC001098392444 819167374 /nfs/dbraw/zinc/16/73/74/819167374.db2.gz RIVSENDFXBYUCU-INIZCTEOSA-N 2 0 327.469 -0.006 20 0 EBADRP CNC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001098406358 819173594 /nfs/dbraw/zinc/17/35/94/819173594.db2.gz OUOAJCJEEMAFPB-OAHLLOKOSA-N 2 0 340.468 -0.498 20 0 EBADRP COC[C@H](O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001098561259 819245269 /nfs/dbraw/zinc/24/52/69/819245269.db2.gz YWDOGAQQYBFZOH-GDBMZVCRSA-N 2 0 343.468 -0.769 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098645501 819293647 /nfs/dbraw/zinc/29/36/47/819293647.db2.gz NYWMYVCJPIKXNH-LSDHHAIUSA-N 2 0 336.440 -0.382 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001284674780 819323669 /nfs/dbraw/zinc/32/36/69/819323669.db2.gz HCISIKRFSWRPAG-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)CCC[NH+](C)C)C2)nn1 ZINC001098711306 819339815 /nfs/dbraw/zinc/33/98/15/819339815.db2.gz SNHQEKXEYIUWMS-ZFWWWQNUSA-N 2 0 338.456 -0.136 20 0 EBADRP C[C@H]([NH2+]CCOCCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001284875928 819385539 /nfs/dbraw/zinc/38/55/39/819385539.db2.gz GZUDAJCTKVLXNB-AWEZNQCLSA-N 2 0 342.484 -0.131 20 0 EBADRP Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099871545 819806992 /nfs/dbraw/zinc/80/69/92/819806992.db2.gz GWWBJRQRDPDHIA-HOTGVXAUSA-N 2 0 349.479 -0.002 20 0 EBADRP COCCOCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001099979681 819984888 /nfs/dbraw/zinc/98/48/88/819984888.db2.gz ZANQEXGKVZAKGI-JKSUJKDBSA-N 2 0 343.468 -0.457 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1O ZINC001099987231 819994156 /nfs/dbraw/zinc/99/41/56/819994156.db2.gz WOVKECPLHJEJBK-JKSUJKDBSA-N 2 0 348.447 -0.211 20 0 EBADRP Cn1ccc(C[N@@H+]2CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C2)cc1=O ZINC001099987027 819994364 /nfs/dbraw/zinc/99/43/64/819994364.db2.gz SOSOJOMLEJQKJX-LSDHHAIUSA-N 2 0 336.436 -0.612 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](CCOCCOC)C[C@H]1O ZINC001100048511 820123118 /nfs/dbraw/zinc/12/31/18/820123118.db2.gz MTKRZHGYTZWDKC-LSDHHAIUSA-N 2 0 331.457 -0.457 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@H+](CCn2cccn2)C[C@@H]1O ZINC001100074174 820164685 /nfs/dbraw/zinc/16/46/85/820164685.db2.gz JXDAKBAFVNACAN-CABCVRRESA-N 2 0 339.440 -0.987 20 0 EBADRP COCCOCC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001100075049 820168068 /nfs/dbraw/zinc/16/80/68/820168068.db2.gz XSOABMAHVDECOG-HUUCEWRRSA-N 2 0 341.452 -0.703 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCOCCO)C[C@@H]1O ZINC001100083220 820185399 /nfs/dbraw/zinc/18/53/99/820185399.db2.gz OSJIXPVVGPGCEI-CABCVRRESA-N 2 0 331.457 -0.721 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCc2cnn(C)c2)C[C@@H]1O ZINC001100132652 820273709 /nfs/dbraw/zinc/27/37/09/820273709.db2.gz WZHDEXWJPBVFIE-HOTGVXAUSA-N 2 0 337.468 -0.146 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCc2cnn(C)c2)C[C@H]1O ZINC001100132654 820274241 /nfs/dbraw/zinc/27/42/41/820274241.db2.gz WZHDEXWJPBVFIE-JKSUJKDBSA-N 2 0 337.468 -0.146 20 0 EBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001100341137 820366632 /nfs/dbraw/zinc/36/66/32/820366632.db2.gz GZUSSXLHOVOOQA-UHFFFAOYSA-N 2 0 336.440 -0.711 20 0 EBADRP CC[C@H](C(=O)NCC1CC([NH2+]CCN2C(=O)CCC2=O)C1)[NH+](C)C ZINC001100443455 820423688 /nfs/dbraw/zinc/42/36/88/820423688.db2.gz HVWFFSVTLAIGLN-JXQTWKCFSA-N 2 0 338.452 -0.040 20 0 EBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001100686674 820511345 /nfs/dbraw/zinc/51/13/45/820511345.db2.gz MNAAMANYHMTKIF-NFOMZHRRSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001292412691 820538794 /nfs/dbraw/zinc/53/87/94/820538794.db2.gz BKEVXOFHFKJOLZ-HNNXBMFYSA-N 2 0 340.468 -0.423 20 0 EBADRP CCNC(=O)C[NH2+]C1CC(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001100803634 820557823 /nfs/dbraw/zinc/55/78/23/820557823.db2.gz AXTCORUANDTUHT-UHFFFAOYSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC1CC([NH2+]CCN2CCCC2=O)C1 ZINC001100870854 820585416 /nfs/dbraw/zinc/58/54/16/820585416.db2.gz PMDFPXUWXQDBDN-UHFFFAOYSA-N 2 0 340.468 -0.329 20 0 EBADRP COCCOCC[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100870935 820585447 /nfs/dbraw/zinc/58/54/47/820585447.db2.gz SRNUSMHNAPUMNB-UHFFFAOYSA-N 2 0 331.457 -0.288 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2CC([NH2+]CCN3CCNC3=O)C2)C1 ZINC001100872670 820586012 /nfs/dbraw/zinc/58/60/12/820586012.db2.gz DOPKIFPJDIJGEY-NFOMZHRRSA-N 2 0 337.468 -0.162 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCC2CC([NH2+]CCN3CCNC3=O)C2)C1 ZINC001100872671 820586297 /nfs/dbraw/zinc/58/62/97/820586297.db2.gz DOPKIFPJDIJGEY-WLYUNCDWSA-N 2 0 337.468 -0.162 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)CCCC[NH+](C)C)C1 ZINC001100889946 820591890 /nfs/dbraw/zinc/59/18/90/820591890.db2.gz DTWYFLPZOFTWRI-UHFFFAOYSA-N 2 0 341.456 -0.342 20 0 EBADRP C[NH+](C)CCCCC(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1 ZINC001100887569 820592138 /nfs/dbraw/zinc/59/21/38/820592138.db2.gz IOGUIJAOAJMBJH-UHFFFAOYSA-N 2 0 348.513 -0.248 20 0 EBADRP CC(=O)NCCOCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001100980785 820630843 /nfs/dbraw/zinc/63/08/43/820630843.db2.gz FXMOIDHWTJOPJZ-HWOWSKLDSA-N 2 0 340.468 -0.425 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1CC([NH2+]CC(=O)N(C)C)C1 ZINC001100985888 820632834 /nfs/dbraw/zinc/63/28/34/820632834.db2.gz HXRVDQLKZZTJCA-NFOMZHRRSA-N 2 0 340.468 -0.473 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001101038051 820661250 /nfs/dbraw/zinc/66/12/50/820661250.db2.gz ZTYGYLKIUKNDHS-PNESKVBLSA-N 2 0 341.456 -0.345 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001293334554 820746222 /nfs/dbraw/zinc/74/62/22/820746222.db2.gz WKVNNMDHUJYOLC-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP CN(C)Cc1cc(C(=O)NCCCNC(=O)[C@H]2CC[N@H+](C)C2)no1 ZINC001293332941 820746495 /nfs/dbraw/zinc/74/64/95/820746495.db2.gz HFRCLNBNPNKOGF-LBPRGKRZSA-N 2 0 337.424 -0.076 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102101126 821025558 /nfs/dbraw/zinc/02/55/58/821025558.db2.gz NXHAFPQBQVYCPK-VXGBXAGGSA-N 2 0 341.456 -0.404 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320491 821069491 /nfs/dbraw/zinc/06/94/91/821069491.db2.gz FJRXBNVOVQHVRF-FRRDWIJNSA-N 2 0 341.456 -0.534 20 0 EBADRP COC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102513760 821134489 /nfs/dbraw/zinc/13/44/89/821134489.db2.gz AGQODWCXNQDVMR-RBSFLKMASA-N 2 0 325.453 -0.226 20 0 EBADRP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103398422 821307734 /nfs/dbraw/zinc/30/77/34/821307734.db2.gz RQNOCNNDFLQLGQ-MGPQQGTHSA-N 2 0 338.452 -0.183 20 0 EBADRP C[NH+](C)CCC(=O)NCc1cccc(N2CC[C@@H]([NH2+]CCO)C2)n1 ZINC001127852152 828339507 /nfs/dbraw/zinc/33/95/07/828339507.db2.gz KWTBIEGCFOMCOQ-OAHLLOKOSA-N 2 0 335.452 -0.190 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001104621228 821524257 /nfs/dbraw/zinc/52/42/57/821524257.db2.gz CCUGSJWGUGMRAT-CHWSQXEVSA-N 2 0 338.456 -0.366 20 0 EBADRP C[C@@H]([NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)C(N)=O ZINC001104908510 821563671 /nfs/dbraw/zinc/56/36/71/821563671.db2.gz ZSHSAZVBAZSUMY-MGPQQGTHSA-N 2 0 328.457 -0.487 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001105007867 821569936 /nfs/dbraw/zinc/56/99/36/821569936.db2.gz IEHUYKPEHSXBSN-JHJVBQTASA-N 2 0 339.440 -0.793 20 0 EBADRP C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001105242766 821642427 /nfs/dbraw/zinc/64/24/27/821642427.db2.gz HDNGTAUCANCIJH-MLGOLLRUSA-N 2 0 348.451 -0.526 20 0 EBADRP C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001105259535 821651712 /nfs/dbraw/zinc/65/17/12/821651712.db2.gz CJWNGSKFPOXVJU-IAQYHMDHSA-N 2 0 336.440 -0.528 20 0 EBADRP CC(C)[C@@H](C(=O)N1CC(n2cc(C[NH2+]C[C@H](C)O)nn2)C1)[NH+](C)C ZINC001105264544 821655515 /nfs/dbraw/zinc/65/55/15/821655515.db2.gz KKZZDOVICKCJBQ-WFASDCNBSA-N 2 0 338.456 -0.282 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC(n2cc(C[NH2+]C[C@@H](C)O)nn2)C1 ZINC001105272584 821660203 /nfs/dbraw/zinc/66/02/03/821660203.db2.gz NGZKXDOWDMVHOS-GFCCVEGCSA-N 2 0 338.456 -0.138 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CC(n3cc(C[NH2+]CCCO)nn3)C2)CC1 ZINC001105313540 821685352 /nfs/dbraw/zinc/68/53/52/821685352.db2.gz DAFZNMGRDDXCQO-UHFFFAOYSA-N 2 0 336.440 -0.525 20 0 EBADRP C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)C3(C[NH+](C)C)CC3)C2)nn1 ZINC001105313912 821687351 /nfs/dbraw/zinc/68/73/51/821687351.db2.gz JVZGWXRVMLDUKL-GFCCVEGCSA-N 2 0 336.440 -0.526 20 0 EBADRP CC(C)[C@H](C(=O)N1CC(n2cc(C[NH2+]C[C@H](C)O)nn2)C1)[NH+](C)C ZINC001105320809 821690572 /nfs/dbraw/zinc/69/05/72/821690572.db2.gz KKZZDOVICKCJBQ-SWLSCSKDSA-N 2 0 338.456 -0.282 20 0 EBADRP C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001105327003 821694559 /nfs/dbraw/zinc/69/45/59/821694559.db2.gz OFOQJZCPTJYBIW-OLZOCXBDSA-N 2 0 336.440 -0.526 20 0 EBADRP CC(C)[C@H]1N(C(=O)CC[NH+](C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCO)C2 ZINC001105660564 821789095 /nfs/dbraw/zinc/78/90/95/821789095.db2.gz WNZNUEYCWMAXJN-MUIFIZLQSA-N 2 0 327.469 -0.104 20 0 EBADRP CC(C)[C@H]1N(C(=O)CC[NH+](C)C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001105660442 821789284 /nfs/dbraw/zinc/78/92/84/821789284.db2.gz VDYIGBLXFIJQIO-BQGCOEIASA-N 2 0 340.468 -0.611 20 0 EBADRP Cc1nccn1CC(=O)N(C)C[C@H]1CCN1[C@@H]1CCC(=O)NC1=O ZINC001316608192 821812736 /nfs/dbraw/zinc/81/27/36/821812736.db2.gz FUGHSHJDLOYPPQ-CHWSQXEVSA-N 2 0 333.392 -0.471 20 0 EBADRP CNC(=O)NC(=O)C[N@H+](C)CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001316850675 821889889 /nfs/dbraw/zinc/88/98/89/821889889.db2.gz HLRLVYGHWMUGEG-GFCCVEGCSA-N 2 0 327.429 -0.778 20 0 EBADRP Cn1cncc1CN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001316966246 821949606 /nfs/dbraw/zinc/94/96/06/821949606.db2.gz MJRHAXFNTVZPES-MRXNPFEDSA-N 2 0 348.495 -0.004 20 0 EBADRP COCCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001317105195 822004119 /nfs/dbraw/zinc/00/41/19/822004119.db2.gz NBWIJQHXTHECTE-MJBXVCDLSA-N 2 0 326.441 -0.530 20 0 EBADRP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001317124561 822010618 /nfs/dbraw/zinc/01/06/18/822010618.db2.gz PXNVEJQKGKBEKI-XQQFMLRXSA-N 2 0 339.440 -0.495 20 0 EBADRP CN(CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C)S(C)(=O)=O ZINC001317194609 822033411 /nfs/dbraw/zinc/03/34/11/822033411.db2.gz ZMDHEQLGAZZPOA-AWEZNQCLSA-N 2 0 348.513 -0.200 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317245988 822046980 /nfs/dbraw/zinc/04/69/80/822046980.db2.gz KCKWZNFQGIBSFH-OLZOCXBDSA-N 2 0 334.486 -0.496 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001317321865 822082465 /nfs/dbraw/zinc/08/24/65/822082465.db2.gz KEOVHVFHVSBXPZ-GOEBONIOSA-N 2 0 349.479 -0.209 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001317344441 822089403 /nfs/dbraw/zinc/08/94/03/822089403.db2.gz SCUYRKFHIVPBCF-CYBMUJFWSA-N 2 0 339.440 -0.682 20 0 EBADRP C[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]CCN1C(=O)CNC1=O ZINC001317396898 822099801 /nfs/dbraw/zinc/09/98/01/822099801.db2.gz RVQMDGWGZOVLPK-LBPRGKRZSA-N 2 0 339.440 -0.493 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CCN1C(=O)CCC1=O)C1CC1 ZINC001317548873 822153192 /nfs/dbraw/zinc/15/31/92/822153192.db2.gz DPSARRRWVUXHLI-CQSZACIVSA-N 2 0 336.436 -0.190 20 0 EBADRP CN(CC[NH2+]C[C@@H](O)Cn1cccn1)C(=O)C12CCC[NH+]1CCC2 ZINC001317605942 822175519 /nfs/dbraw/zinc/17/55/19/822175519.db2.gz UJUJTQLLBTVIOQ-OAHLLOKOSA-N 2 0 335.452 -0.080 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001317627775 822183811 /nfs/dbraw/zinc/18/38/11/822183811.db2.gz XGCOPSDPFZPQKW-CYBMUJFWSA-N 2 0 339.440 -0.682 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001317660678 822195885 /nfs/dbraw/zinc/19/58/85/822195885.db2.gz GUHUDSZMBZFXLH-UHFFFAOYSA-N 2 0 341.456 -0.388 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC001317861314 822227440 /nfs/dbraw/zinc/22/74/40/822227440.db2.gz OFEHXZAZELGNAX-KBPBESRZSA-N 2 0 338.452 -0.086 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106322088 822246927 /nfs/dbraw/zinc/24/69/27/822246927.db2.gz IWFANTNBLAJGLX-JHJVBQTASA-N 2 0 339.440 -0.650 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001106784592 822330449 /nfs/dbraw/zinc/33/04/49/822330449.db2.gz JTZPXPXFNBWOCY-JHJVBQTASA-N 2 0 341.456 -0.404 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106877905 822347198 /nfs/dbraw/zinc/34/71/98/822347198.db2.gz COKKAUCNEQEFRC-HUUCEWRRSA-N 2 0 340.468 -0.519 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106905514 822351462 /nfs/dbraw/zinc/35/14/62/822351462.db2.gz UAFUZDLHNADCSP-CHWSQXEVSA-N 2 0 341.456 -0.403 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001128534137 828470884 /nfs/dbraw/zinc/47/08/84/828470884.db2.gz WLRMYJHXSCVHOU-CYBMUJFWSA-N 2 0 334.436 -0.475 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]CC(=O)NCCCOC ZINC001128533636 828471037 /nfs/dbraw/zinc/47/10/37/828471037.db2.gz PGBLRLJRBMPQDN-CYBMUJFWSA-N 2 0 334.436 -0.475 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]C[C@@H](O)COCCOC ZINC001128533922 828471232 /nfs/dbraw/zinc/47/12/32/828471232.db2.gz TVJFMHWJFWJIBQ-KGLIPLIRSA-N 2 0 337.436 -0.604 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]C[C@H](O)COCCOC ZINC001128533924 828471472 /nfs/dbraw/zinc/47/14/72/828471472.db2.gz TVJFMHWJFWJIBQ-UONOGXRCSA-N 2 0 337.436 -0.604 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCCOCC ZINC001128774679 828524654 /nfs/dbraw/zinc/52/46/54/828524654.db2.gz WNKLIKNUKGJXHG-AWEZNQCLSA-N 2 0 328.457 -0.281 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NCC ZINC001128773756 828524911 /nfs/dbraw/zinc/52/49/11/828524911.db2.gz CYCFNSNWGGQDCN-LBPRGKRZSA-N 2 0 327.429 -0.588 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106980722 823712299 /nfs/dbraw/zinc/71/22/99/823712299.db2.gz AAOVYCANJUERQQ-HZSPNIEDSA-N 2 0 331.482 -0.333 20 0 EBADRP COCCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129204300 828579385 /nfs/dbraw/zinc/57/93/85/828579385.db2.gz CKJVGUMTAIJLFF-CABCVRRESA-N 2 0 338.456 -0.002 20 0 EBADRP O=C(NCC[NH2+]CCn1cncn1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129363836 828604392 /nfs/dbraw/zinc/60/43/92/828604392.db2.gz KRVZZPZGTHERSL-HNNXBMFYSA-N 2 0 336.440 -0.373 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)C2([NH+](C)C)CCC2)C[C@H](C)O1 ZINC001129364643 828606058 /nfs/dbraw/zinc/60/60/58/828606058.db2.gz YVFSIWIETANOJE-KBPBESRZSA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001129393954 828612180 /nfs/dbraw/zinc/61/21/80/828612180.db2.gz ZEPMRIBDOXHKSB-CABCVRRESA-N 2 0 338.456 -0.266 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129407677 828614482 /nfs/dbraw/zinc/61/44/82/828614482.db2.gz SQLKGPVWNZWWOZ-KFWWJZLASA-N 2 0 338.456 -0.004 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001129421688 828615540 /nfs/dbraw/zinc/61/55/40/828615540.db2.gz BQSBYVAILMJSPN-OLZOCXBDSA-N 2 0 341.456 -0.201 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001129422138 828615600 /nfs/dbraw/zinc/61/56/00/828615600.db2.gz GGENAQNNZNRWTC-AWEZNQCLSA-N 2 0 348.513 -0.106 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O)C1CC1 ZINC001129456005 828622859 /nfs/dbraw/zinc/62/28/59/828622859.db2.gz ZRLYHLNGFCPNGF-LBPRGKRZSA-N 2 0 339.440 -0.637 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001129416149 828616086 /nfs/dbraw/zinc/61/60/86/828616086.db2.gz DYYNUFIESKAIQA-CYBMUJFWSA-N 2 0 341.456 -0.199 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001129416150 828616262 /nfs/dbraw/zinc/61/62/62/828616262.db2.gz DYYNUFIESKAIQA-ZDUSSCGKSA-N 2 0 341.456 -0.199 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001129423576 828616752 /nfs/dbraw/zinc/61/67/52/828616752.db2.gz VSAUFGYDOOGBHE-AWEZNQCLSA-N 2 0 325.457 -0.020 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430313 828616767 /nfs/dbraw/zinc/61/67/67/828616767.db2.gz SHIHZMWVUSOISN-LBPRGKRZSA-N 2 0 325.413 -0.706 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)C1CC1 ZINC001129444569 828620013 /nfs/dbraw/zinc/62/00/13/828620013.db2.gz VGSFNJQLRUJEQQ-ZDUSSCGKSA-N 2 0 341.456 -0.343 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F)C1CC1 ZINC001129443122 828620125 /nfs/dbraw/zinc/62/01/25/828620125.db2.gz IHUWHPGADYGTJH-NWDGAFQWSA-N 2 0 341.374 -0.028 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1)C1CC1 ZINC001129449624 828621313 /nfs/dbraw/zinc/62/13/13/828621313.db2.gz QQRODBUOBGVCFG-GDBMZVCRSA-N 2 0 343.468 -0.411 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129448600 828621736 /nfs/dbraw/zinc/62/17/36/828621736.db2.gz CHRYCBMSBFOQFD-WCQYABFASA-N 2 0 341.456 -0.345 20 0 EBADRP CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129455354 828622724 /nfs/dbraw/zinc/62/27/24/828622724.db2.gz UWXCJQMEHSHABK-DZGCQCFKSA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C[N@H+](C)C2CCC2)C[C@@H](C)O1 ZINC001129535051 828632169 /nfs/dbraw/zinc/63/21/69/828632169.db2.gz HPMGHRNPMFWBJF-ZIAGYGMSSA-N 2 0 340.468 -0.188 20 0 EBADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129684201 828655714 /nfs/dbraw/zinc/65/57/14/828655714.db2.gz FXVBEQZIFSOZPY-KFWWJZLASA-N 2 0 336.440 -0.250 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]CCCOC)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001129910219 828692285 /nfs/dbraw/zinc/69/22/85/828692285.db2.gz IXVGCFQKSIWBRV-KFWWJZLASA-N 2 0 338.456 -0.004 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1)[NH+](C)C ZINC001129950212 828699527 /nfs/dbraw/zinc/69/95/27/828699527.db2.gz OLELIMMJCLITGR-ZBFHGGJFSA-N 2 0 345.484 -0.165 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)[NH+](C)C ZINC001129949947 828699678 /nfs/dbraw/zinc/69/96/78/828699678.db2.gz KWUINHISXIFXOL-KBPBESRZSA-N 2 0 348.513 -0.440 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CCn2cccn2)[C@@H](n2ccnn2)C1 ZINC001129992178 828709051 /nfs/dbraw/zinc/70/90/51/828709051.db2.gz PFWYPAFQKMNGPS-CABCVRRESA-N 2 0 346.439 -0.532 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+][C@@H](C)COC)[C@@H](n2ccnn2)C1 ZINC001130107217 828733159 /nfs/dbraw/zinc/73/31/59/828733159.db2.gz JQOLPWMAZBEVLG-ZNMIVQPWSA-N 2 0 338.456 -0.004 20 0 EBADRP COCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123471 828736545 /nfs/dbraw/zinc/73/65/45/828736545.db2.gz SFBBHJPKXSVRHV-ZNMIVQPWSA-N 2 0 336.440 -0.392 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130173845 828744754 /nfs/dbraw/zinc/74/47/54/828744754.db2.gz QGPFNXYMAFUCSV-HNNXBMFYSA-N 2 0 343.468 -0.408 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130186484 828751263 /nfs/dbraw/zinc/75/12/63/828751263.db2.gz HMKSCBYGKJMQSB-LSDHHAIUSA-N 2 0 340.468 -0.138 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001130230210 828761422 /nfs/dbraw/zinc/76/14/22/828761422.db2.gz HPRXUIXAKOWKHB-UHFFFAOYSA-N 2 0 340.468 -0.423 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130419117 828826859 /nfs/dbraw/zinc/82/68/59/828826859.db2.gz LVIZAMJSTSXNAG-NSHDSACASA-N 2 0 329.445 -0.343 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130419042 828828497 /nfs/dbraw/zinc/82/84/97/828828497.db2.gz JFLLMXDOJITEDE-UHFFFAOYSA-N 2 0 329.445 -0.342 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]C[C@H](O)CO[C@H](C)COC ZINC001130425008 828830277 /nfs/dbraw/zinc/83/02/77/828830277.db2.gz KAZGKVRBSFATEL-KGLIPLIRSA-N 2 0 333.473 -0.165 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001130427347 828831365 /nfs/dbraw/zinc/83/13/65/828831365.db2.gz MITQZVMAUFQSBW-ZDUSSCGKSA-N 2 0 328.457 -0.425 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)[C@@H]1C ZINC001179763947 833009176 /nfs/dbraw/zinc/00/91/76/833009176.db2.gz QPYMNFXQACDFSV-RYUDHWBXSA-N 2 0 327.429 -0.637 20 0 EBADRP CC[NH+](CC)CC(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001179850854 833017714 /nfs/dbraw/zinc/01/77/14/833017714.db2.gz OJHBKZHHLRKFCT-UHFFFAOYSA-N 2 0 329.445 -0.211 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCOCCO)C[C@H]32)CC[N@@H+]1C ZINC001114303619 826197998 /nfs/dbraw/zinc/19/79/98/826197998.db2.gz ARPJCOMJKUJLHN-AALSBFMBSA-N 2 0 325.453 -0.228 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]21 ZINC001114357857 826214339 /nfs/dbraw/zinc/21/43/39/826214339.db2.gz KZSZRPFFWPDPMY-KNCOVGOOSA-N 2 0 340.443 -0.055 20 0 EBADRP CN(C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+](C)C)C1CC1 ZINC001114405657 826236404 /nfs/dbraw/zinc/23/64/04/826236404.db2.gz XWCVAFQDYQXXDG-ABFRBSLYSA-N 2 0 334.464 -0.006 20 0 EBADRP CN(CCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)c1cc[nH+]cc1 ZINC001114496863 826266367 /nfs/dbraw/zinc/26/63/67/826266367.db2.gz UNVMUBDKJILHCV-DLTWYDFYSA-N 2 0 343.431 -0.157 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)CCCC[NH+](C)C ZINC001179968681 833029901 /nfs/dbraw/zinc/02/99/01/833029901.db2.gz YUQLGHCODXXLLA-KBPBESRZSA-N 2 0 348.513 -0.154 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)[C@@H]1C ZINC001179987130 833031835 /nfs/dbraw/zinc/03/18/35/833031835.db2.gz LJOLZWXQZNNJOE-RYUDHWBXSA-N 2 0 327.429 -0.637 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1ccnc1 ZINC001114651554 826310246 /nfs/dbraw/zinc/31/02/46/826310246.db2.gz BOZMIEYXFLMGEF-CIQGVGRVSA-N 2 0 348.407 -0.836 20 0 EBADRP O=C(CCn1ccnc1)N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001114656047 826312189 /nfs/dbraw/zinc/31/21/89/826312189.db2.gz ZUKLCFIBHHQVEP-LAQFHYBYSA-N 2 0 345.403 -0.531 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3C[N@H+](CCN4CCCC4=O)C[C@H]32)CC1 ZINC001114741626 826330694 /nfs/dbraw/zinc/33/06/94/826330694.db2.gz SQOLTUKYSSEENW-FOLVSLTJSA-N 2 0 334.464 -0.003 20 0 EBADRP COC[C@H](O)C[NH2+]CCCCCCNC(=O)COCC[NH+](C)C ZINC001180060771 833038751 /nfs/dbraw/zinc/03/87/51/833038751.db2.gz OSPSLXPVQWEQRL-OAHLLOKOSA-N 2 0 333.473 -0.162 20 0 EBADRP CC(C)NC(=O)NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778560 826340348 /nfs/dbraw/zinc/34/03/48/826340348.db2.gz NEPNIHJJNOSXOW-NHAGDIPZSA-N 2 0 325.457 -0.308 20 0 EBADRP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]21)[NH+](C)C ZINC001114849073 826356095 /nfs/dbraw/zinc/35/60/95/826356095.db2.gz KFBIWGNTJGPIMF-RFQIPJPRSA-N 2 0 346.497 -0.736 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]21 ZINC001114996660 826396504 /nfs/dbraw/zinc/39/65/04/826396504.db2.gz CADJJOUXTCXJKQ-NHAGDIPZSA-N 2 0 346.497 -0.734 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180138906 833046964 /nfs/dbraw/zinc/04/69/64/833046964.db2.gz QRAFCBRFWLTFHW-MJBXVCDLSA-N 2 0 346.497 -0.544 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001115081698 826415629 /nfs/dbraw/zinc/41/56/29/826415629.db2.gz VVZQPQOFTVQYHP-AIANPOQGSA-N 2 0 343.468 -0.602 20 0 EBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001118488059 826940220 /nfs/dbraw/zinc/94/02/20/826940220.db2.gz YXOWMAOCZRIVDK-JSGCOSHPSA-N 2 0 326.441 -0.672 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001118739069 826994174 /nfs/dbraw/zinc/99/41/74/826994174.db2.gz HWPSMLXJHWOCOY-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NCCC[NH+]1CCC(O)CC1 ZINC001118995220 827039633 /nfs/dbraw/zinc/03/96/33/827039633.db2.gz DGSSRBLXTRZSQM-UHFFFAOYSA-N 2 0 334.486 -0.649 20 0 EBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001119037226 827052414 /nfs/dbraw/zinc/05/24/14/827052414.db2.gz QMEMLZVJMGGFOQ-CYBMUJFWSA-N 2 0 325.457 -0.970 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCc2ccon2)C[C@H]1C[NH+](C)C ZINC001119192826 827082661 /nfs/dbraw/zinc/08/26/61/827082661.db2.gz NQQLWTMGHRLDTN-CHWSQXEVSA-N 2 0 337.424 -0.511 20 0 EBADRP C[NH+]1CCN(C2CC[NH+](CCCOC(=O)NC(N)=O)CC2)CC1 ZINC001119260516 827093358 /nfs/dbraw/zinc/09/33/58/827093358.db2.gz BYJUDKHWPFVTRD-UHFFFAOYSA-N 2 0 327.429 -0.107 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1)C[NH+](C)C ZINC001119846209 827152102 /nfs/dbraw/zinc/15/21/02/827152102.db2.gz NOERBDDRGBOBDJ-KGLIPLIRSA-N 2 0 328.457 -0.521 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001181653007 833170809 /nfs/dbraw/zinc/17/08/09/833170809.db2.gz TWHMLTLWZOJIKE-OLZOCXBDSA-N 2 0 337.424 -0.787 20 0 EBADRP CN(CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)S(C)(=O)=O ZINC001181652099 833171244 /nfs/dbraw/zinc/17/12/44/833171244.db2.gz IVNSRYRSTXPYOV-CHWSQXEVSA-N 2 0 332.470 -0.838 20 0 EBADRP CN1CC[NH2+]C[C@@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001122009958 827501612 /nfs/dbraw/zinc/50/16/12/827501612.db2.gz XQUWNCBYWJRXRI-QGZVFWFLSA-N 3 0 346.479 -0.387 20 0 EBADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001122005621 827502003 /nfs/dbraw/zinc/50/20/03/827502003.db2.gz PTPMBQROZCPUPF-ZIAGYGMSSA-N 2 0 328.457 -0.343 20 0 EBADRP CC[C@H]([NH2+]C1CC2(CC(NC(=O)COCC[NH+](C)C)C2)C1)C(N)=O ZINC001122064000 827513847 /nfs/dbraw/zinc/51/38/47/827513847.db2.gz STGDQXANZLFGEO-XJIRZWNVSA-N 2 0 340.468 -0.155 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C1CC2(CC(NC(=O)COCC[NH+](C)C)C2)C1 ZINC001122064341 827514331 /nfs/dbraw/zinc/51/43/31/827514331.db2.gz ZEQXTONFRMGOKH-FBVPLBQTSA-N 2 0 340.468 -0.284 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001182473289 833236129 /nfs/dbraw/zinc/23/61/29/833236129.db2.gz OZUVYKJQLFCTBJ-ZIAGYGMSSA-N 2 0 346.497 -0.401 20 0 EBADRP Cn1ccc(N2CCC[C@H]([NH2+]CCNC(=O)[C@@H]3CCC[N@@H+]3C)C2=O)n1 ZINC001124867691 827969379 /nfs/dbraw/zinc/96/93/79/827969379.db2.gz XZBOXTXNIVPLSI-KBPBESRZSA-N 2 0 348.451 -0.285 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC001124879401 827973190 /nfs/dbraw/zinc/97/31/90/827973190.db2.gz SWDSBCHAHKAIOL-MNOVXSKESA-N 2 0 336.358 -0.050 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@]1(C)C[NH2+]CCOCCO ZINC001183165046 833282366 /nfs/dbraw/zinc/28/23/66/833282366.db2.gz KQDKHKZNGWXYSD-NVXWUHKLSA-N 2 0 345.484 -0.352 20 0 EBADRP COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001183230271 833284161 /nfs/dbraw/zinc/28/41/61/833284161.db2.gz WNCSGWKLMKFFJI-HUUCEWRRSA-N 2 0 343.468 -0.315 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@]1(C)C[NH2+]CC(=O)NC(N)=O ZINC001183409752 833289568 /nfs/dbraw/zinc/28/95/68/833289568.db2.gz IBESFPTWGAXNQE-BFQNTYOBSA-N 2 0 339.440 -0.793 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001183648263 833298307 /nfs/dbraw/zinc/29/83/07/833298307.db2.gz RNZVHRKKEJUHAM-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1)[NH+](C)C ZINC001183581446 833295656 /nfs/dbraw/zinc/29/56/56/833295656.db2.gz JEYMBBXQYZESAP-RRFJBIMHSA-N 2 0 340.468 -0.330 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1)[NH+](C)C ZINC001183581445 833295883 /nfs/dbraw/zinc/29/58/83/833295883.db2.gz JEYMBBXQYZESAP-RBSFLKMASA-N 2 0 340.468 -0.330 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1)[NH+](C)C ZINC001183582504 833296270 /nfs/dbraw/zinc/29/62/70/833296270.db2.gz ZTFLWZBFVNEHJO-RBSFLKMASA-N 2 0 340.468 -0.188 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001183646994 833297949 /nfs/dbraw/zinc/29/79/49/833297949.db2.gz APEFVCKREWQKSE-OLZOCXBDSA-N 2 0 332.470 -0.790 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127078146 828247921 /nfs/dbraw/zinc/24/79/21/828247921.db2.gz MVBOLUQNFOKNLV-HUUCEWRRSA-N 2 0 331.457 -0.411 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127257232 828269950 /nfs/dbraw/zinc/26/99/50/828269950.db2.gz WQAOWJJNKNLDEE-VXGBXAGGSA-N 2 0 325.413 -0.978 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)C(=O)NC(N)=O ZINC001183940482 833313462 /nfs/dbraw/zinc/31/34/62/833313462.db2.gz XMJRFJGKOUWFFW-NWDGAFQWSA-N 2 0 337.424 -0.611 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127473603 828296766 /nfs/dbraw/zinc/29/67/66/828296766.db2.gz AEHMMZQWPQSVCP-CQSZACIVSA-N 2 0 326.441 -0.813 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCc1ccco1 ZINC001127475150 828297020 /nfs/dbraw/zinc/29/70/20/828297020.db2.gz ROYNYYZJFFZWFI-OAHLLOKOSA-N 2 0 334.420 -0.057 20 0 EBADRP O=C(NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001127480852 828297823 /nfs/dbraw/zinc/29/78/23/828297823.db2.gz NHCQGEWLBGOQNC-JSGCOSHPSA-N 2 0 329.466 -0.531 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CCO1 ZINC001127479641 828298138 /nfs/dbraw/zinc/29/81/38/828298138.db2.gz DDOYXPYHSHDKPS-HIFRSBDPSA-N 2 0 338.452 -0.719 20 0 EBADRP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127563523 828303504 /nfs/dbraw/zinc/30/35/04/828303504.db2.gz ZRQRDGLGDGXQDT-CYBMUJFWSA-N 2 0 338.456 -0.321 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127690809 828314922 /nfs/dbraw/zinc/31/49/22/828314922.db2.gz URNFLSKKBZUJDB-UONOGXRCSA-N 2 0 328.457 -0.425 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127685475 828315258 /nfs/dbraw/zinc/31/52/58/828315258.db2.gz PFTHJBPFJIUGKB-QJPTWQEYSA-N 2 0 327.429 -0.733 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)CC[N@@H+]1C ZINC001127690977 828315362 /nfs/dbraw/zinc/31/53/62/828315362.db2.gz VGSYASNQXWBISI-HZSPNIEDSA-N 2 0 326.441 -0.672 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COCCOC)CC[N@@H+]1C ZINC001127701057 828315921 /nfs/dbraw/zinc/31/59/21/828315921.db2.gz GLKFIFVVFHVJRM-QLFBSQMISA-N 2 0 331.457 -0.554 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCO[C@H](C)C2)CC[N@@H+]1C ZINC001127701503 828316570 /nfs/dbraw/zinc/31/65/70/828316570.db2.gz QWEOFFSASGGIRD-QLFBSQMISA-N 2 0 340.468 -0.330 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)CC[N@@H+]1C ZINC001127700713 828316623 /nfs/dbraw/zinc/31/66/23/828316623.db2.gz BJMZOMJCWGUDIS-QWHCGFSZSA-N 2 0 334.486 -0.686 20 0 EBADRP CC(C)(C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127778459 828325793 /nfs/dbraw/zinc/32/57/93/828325793.db2.gz FJTDCHCLACHEER-STQMWFEESA-N 2 0 326.441 -0.530 20 0 EBADRP COc1ncc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(C)n1 ZINC001127777697 828326146 /nfs/dbraw/zinc/32/61/46/828326146.db2.gz BFYCJIXQQKCSOI-LSDHHAIUSA-N 2 0 349.435 -0.137 20 0 EBADRP CCC(C)(C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779246 828329114 /nfs/dbraw/zinc/32/91/14/828329114.db2.gz JXTVFYBMPDKGPE-ZIAGYGMSSA-N 2 0 340.468 -0.140 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001130655977 828907215 /nfs/dbraw/zinc/90/72/15/828907215.db2.gz CWATUFXCSVRFPH-UHFFFAOYSA-N 2 0 332.364 -0.582 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001130711122 828920576 /nfs/dbraw/zinc/92/05/76/828920576.db2.gz OBUMXERXGUIAQG-AWEZNQCLSA-N 2 0 348.513 -0.296 20 0 EBADRP O=C(C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2)NC(=O)NC1CC1 ZINC001130805777 828944372 /nfs/dbraw/zinc/94/43/72/828944372.db2.gz MGYGFJFLJIQAJB-UHFFFAOYSA-N 2 0 337.424 -0.691 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130810171 828945498 /nfs/dbraw/zinc/94/54/98/828945498.db2.gz OTXMIYVQQYSMJH-AWEZNQCLSA-N 2 0 340.468 -0.138 20 0 EBADRP CC(C)(C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1)[NH+]1CCCC1 ZINC001184807026 833340674 /nfs/dbraw/zinc/34/06/74/833340674.db2.gz PTEYHSNGGIUHIP-CYBMUJFWSA-N 2 0 346.497 -0.400 20 0 EBADRP O=C(NCC[NH2+]C[C@H](O)CN1CCCC1=O)c1ccn2c[nH+]cc2c1 ZINC001130870209 828984334 /nfs/dbraw/zinc/98/43/34/828984334.db2.gz PXVGIQLHRHVMFI-HNNXBMFYSA-N 2 0 345.403 -0.363 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)C(=O)NC(N)=O ZINC001185168286 833348579 /nfs/dbraw/zinc/34/85/79/833348579.db2.gz VIHHVIRERVOMFH-ZDEQEGDKSA-N 2 0 339.440 -0.509 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001185250024 833351405 /nfs/dbraw/zinc/35/14/05/833351405.db2.gz BRSGYSNDOVYFTQ-HUUCEWRRSA-N 2 0 334.468 -0.351 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001185265756 833352913 /nfs/dbraw/zinc/35/29/13/833352913.db2.gz UIRMNFHHCFNGQO-GFCCVEGCSA-N 2 0 325.413 -0.930 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185264240 833353079 /nfs/dbraw/zinc/35/30/79/833353079.db2.gz CXOWWGKHRRRBGQ-NWDGAFQWSA-N 2 0 327.429 -0.637 20 0 EBADRP O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001131196336 829069795 /nfs/dbraw/zinc/06/97/95/829069795.db2.gz AYQFGBIBOPNJCK-GFCCVEGCSA-N 2 0 342.359 -0.608 20 0 EBADRP Cc1cc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C2)n(C)n1 ZINC001185401164 833357925 /nfs/dbraw/zinc/35/79/25/833357925.db2.gz LFQQBOAPVPFDLU-CYBMUJFWSA-N 2 0 336.440 -0.191 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C2)CCO1 ZINC001185415908 833358244 /nfs/dbraw/zinc/35/82/44/833358244.db2.gz JVCKHPZXMZHJOX-UONOGXRCSA-N 2 0 326.441 -0.624 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]CC2(CS(C)(=O)=O)CC2)C1 ZINC001185408859 833358432 /nfs/dbraw/zinc/35/84/32/833358432.db2.gz YZMNEMLGULAEIG-CYBMUJFWSA-N 2 0 331.482 -0.047 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001185445405 833358690 /nfs/dbraw/zinc/35/86/90/833358690.db2.gz FYVCFPRDCZSPRD-STQMWFEESA-N 2 0 341.456 -0.403 20 0 EBADRP COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185445985 833358734 /nfs/dbraw/zinc/35/87/34/833358734.db2.gz HYNCCEDOJWCGKY-BZUAXINKSA-N 2 0 345.484 -0.213 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001185651129 833364934 /nfs/dbraw/zinc/36/49/34/833364934.db2.gz SXEVCJQMGYREMU-UONOGXRCSA-N 2 0 346.497 -0.400 20 0 EBADRP O=C(NCC[NH2+]CCN1C(=O)CNC1=O)c1ccc2c[nH+]cn2c1 ZINC001131375079 829118905 /nfs/dbraw/zinc/11/89/05/829118905.db2.gz QVLJRNONLODXQU-UHFFFAOYSA-N 2 0 330.348 -0.795 20 0 EBADRP CCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519409 829150081 /nfs/dbraw/zinc/15/00/81/829150081.db2.gz DBQDWMLGUFOMSE-XOYHFGRZSA-N 2 0 338.452 -0.528 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COCCOC)C1)[NH+](C)C ZINC001185716569 833367996 /nfs/dbraw/zinc/36/79/96/833367996.db2.gz ZGHOCLIGQLPAOY-KFWWJZLASA-N 2 0 331.457 -0.459 20 0 EBADRP CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1=O ZINC001131522153 829153893 /nfs/dbraw/zinc/15/38/93/829153893.db2.gz UPTRAMPKNVAUPV-YRTQGLMCSA-N 2 0 336.436 -0.824 20 0 EBADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001185743503 833368962 /nfs/dbraw/zinc/36/89/62/833368962.db2.gz USRCPXCYNXSRAG-OAGGEKHMSA-N 2 0 343.468 -0.315 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1)C(N)=O ZINC001131564912 829159910 /nfs/dbraw/zinc/15/99/10/829159910.db2.gz XIWJEFYPLINQIX-BJJXKVORSA-N 2 0 340.468 -0.202 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCO)CC1 ZINC001131593139 829161398 /nfs/dbraw/zinc/16/13/98/829161398.db2.gz NUPAVOHXBPLBOT-WBVHZDCISA-N 2 0 343.468 -0.457 20 0 EBADRP CN(CC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1)S(C)(=O)=O ZINC001131790671 829217778 /nfs/dbraw/zinc/21/77/78/829217778.db2.gz SAAPVPJWSJUZLS-AWEZNQCLSA-N 2 0 346.497 -0.542 20 0 EBADRP C[C@H](O)C[NH2+]Cc1cn([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001185999449 833382389 /nfs/dbraw/zinc/38/23/89/833382389.db2.gz IIGWUGHLBLYEQI-DZGCQCFKSA-N 2 0 338.456 -0.136 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001186486520 833403252 /nfs/dbraw/zinc/40/32/52/833403252.db2.gz ARPOKWXEXUXWKX-ZIAGYGMSSA-N 2 0 331.482 -0.047 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2)[NH+](C)C ZINC001186409681 833400621 /nfs/dbraw/zinc/40/06/21/833400621.db2.gz BUSSJKTUPYKPGV-ZIAGYGMSSA-N 2 0 340.468 -0.343 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001186452781 833402177 /nfs/dbraw/zinc/40/21/77/833402177.db2.gz RMUBBZGYHGDDOZ-QWHCGFSZSA-N 2 0 341.456 -0.247 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001186459476 833402553 /nfs/dbraw/zinc/40/25/53/833402553.db2.gz WHMQLNYPWWFCPM-CYBMUJFWSA-N 2 0 339.440 -0.493 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001186496996 833403547 /nfs/dbraw/zinc/40/35/47/833403547.db2.gz VVUYGJLAGPNTJY-CQSZACIVSA-N 2 0 348.513 -0.200 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]CCOCCNC(C)=O)C1 ZINC001186487258 833403571 /nfs/dbraw/zinc/40/35/71/833403571.db2.gz IVSGQIUAZPVURV-OAHLLOKOSA-N 2 0 328.457 -0.329 20 0 EBADRP CC(C)(C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1)[NH+]1CCCC1 ZINC001132287556 829407112 /nfs/dbraw/zinc/40/71/12/829407112.db2.gz ZQMPUSXLUOGGCS-AWEZNQCLSA-N 2 0 340.468 -0.281 20 0 EBADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001186616825 833410256 /nfs/dbraw/zinc/41/02/56/833410256.db2.gz ZOWPIMDJGNVTTA-KGLIPLIRSA-N 2 0 329.441 -0.705 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC)C1 ZINC001132737997 829512084 /nfs/dbraw/zinc/51/20/84/829512084.db2.gz SSDTTZHODFFVMI-GFCCVEGCSA-N 2 0 327.429 -0.730 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NCC(C)(C)C)C1 ZINC001132849026 829534546 /nfs/dbraw/zinc/53/45/46/829534546.db2.gz ZEXUPTWZTUKKCO-AWEZNQCLSA-N 2 0 342.484 -0.036 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)N[C@H](C)C2CC2)C1 ZINC001132852258 829537735 /nfs/dbraw/zinc/53/77/35/829537735.db2.gz KKMNITMLMAGSPK-UKRRQHHQSA-N 2 0 340.468 -0.284 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC2CCCC2)C1 ZINC001132859050 829538750 /nfs/dbraw/zinc/53/87/50/829538750.db2.gz UDZNXHZABLPJOS-HNNXBMFYSA-N 2 0 340.468 -0.140 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)N2CCCCC2)C1 ZINC001132858611 829539926 /nfs/dbraw/zinc/53/99/26/829539926.db2.gz BRBUWSVPAFAMRG-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886457 829544306 /nfs/dbraw/zinc/54/43/06/829544306.db2.gz NCNOEBKOFUWKQF-STQMWFEESA-N 2 0 341.456 -0.342 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132985912 829567522 /nfs/dbraw/zinc/56/75/22/829567522.db2.gz WQKCEGZBODPOOW-UHFFFAOYSA-N 2 0 346.453 -0.400 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132995397 829568500 /nfs/dbraw/zinc/56/85/00/829568500.db2.gz RMHXRHUACHFCEF-LBPRGKRZSA-N 2 0 341.456 -0.343 20 0 EBADRP C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133072397 829579625 /nfs/dbraw/zinc/57/96/25/829579625.db2.gz IEBAPVWZMZJLEW-QWHCGFSZSA-N 2 0 341.456 -0.403 20 0 EBADRP C[C@@H]1CCN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001133245456 829610251 /nfs/dbraw/zinc/61/02/51/829610251.db2.gz FFWYSIRCGPZAGL-HUUCEWRRSA-N 2 0 342.484 -0.273 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001133246562 829610669 /nfs/dbraw/zinc/61/06/69/829610669.db2.gz YZIIARSDDNDBDK-CABCVRRESA-N 2 0 342.484 -0.225 20 0 EBADRP C[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)CC1 ZINC001133285883 829614878 /nfs/dbraw/zinc/61/48/78/829614878.db2.gz MLRJMXKJIHELKM-UHFFFAOYSA-N 2 0 326.441 -0.671 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133285973 829615107 /nfs/dbraw/zinc/61/51/07/829615107.db2.gz QNMZXEGOYJQOPB-NSHDSACASA-N 2 0 327.429 -0.732 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001133275695 829615273 /nfs/dbraw/zinc/61/52/73/829615273.db2.gz WGKOUHCISOPLNX-STQMWFEESA-N 2 0 341.456 -0.403 20 0 EBADRP C[NH+]1CCC(C(=O)NCC[NH2+]C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001133286997 829615911 /nfs/dbraw/zinc/61/59/11/829615911.db2.gz BNLLDKHUCHCVGF-CYBMUJFWSA-N 2 0 331.482 -0.141 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CCCO1 ZINC001133286148 829616298 /nfs/dbraw/zinc/61/62/98/829616298.db2.gz ZOPIAFIOMVYJPD-DZGCQCFKSA-N 2 0 340.468 -0.282 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCOCCNC(C)=O)C1 ZINC001186824748 833431326 /nfs/dbraw/zinc/43/13/26/833431326.db2.gz KCJASKZESGEABJ-OAHLLOKOSA-N 2 0 328.457 -0.329 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133433977 829630848 /nfs/dbraw/zinc/63/08/48/829630848.db2.gz FZTTZBJVTKIQSG-CQSZACIVSA-N 2 0 343.472 -0.240 20 0 EBADRP CC(C)[C@H](C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C)[NH+](C)C ZINC001133433846 829631455 /nfs/dbraw/zinc/63/14/55/829631455.db2.gz BZGPIVJFUKEQLA-CYBMUJFWSA-N 2 0 336.502 -0.440 20 0 EBADRP CC(C)[C@H](C(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1)[NH+](C)C ZINC001133434375 829631523 /nfs/dbraw/zinc/63/15/23/829631523.db2.gz OLELIMMJCLITGR-GDBMZVCRSA-N 2 0 345.484 -0.165 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCNS(=O)(=O)CC)C1 ZINC001186833846 833433058 /nfs/dbraw/zinc/43/30/58/833433058.db2.gz JPNOQLABTQEYTI-CYBMUJFWSA-N 2 0 334.486 -0.542 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O ZINC001133823580 829679341 /nfs/dbraw/zinc/67/93/41/829679341.db2.gz JSXAQLZMWBKPJA-UONOGXRCSA-N 2 0 348.451 -0.285 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001133819765 829679726 /nfs/dbraw/zinc/67/97/26/829679726.db2.gz NTNPKIDVHWJXFC-KGLIPLIRSA-N 2 0 326.441 -0.840 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001133823936 829681158 /nfs/dbraw/zinc/68/11/58/829681158.db2.gz STRLCBVHEKEKCP-GFCCVEGCSA-N 2 0 325.413 -0.882 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCNC(=O)C[N@H+]2CCC[C@H]2C)n(C)n1 ZINC001133834181 829681299 /nfs/dbraw/zinc/68/12/99/829681299.db2.gz PZHKDMXOWRXHRX-CYBMUJFWSA-N 2 0 336.440 -0.143 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)NCc1cccnc1 ZINC001133833595 829681361 /nfs/dbraw/zinc/68/13/61/829681361.db2.gz AGQJVPXZOPXALM-AWEZNQCLSA-N 2 0 333.436 -0.112 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001133845418 829684697 /nfs/dbraw/zinc/68/46/97/829684697.db2.gz FJWGYTVGKNGENZ-UONOGXRCSA-N 2 0 331.482 -0.141 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001133845699 829685295 /nfs/dbraw/zinc/68/52/95/829685295.db2.gz LVJTXZXQFQYSGE-ZDUSSCGKSA-N 2 0 334.486 -0.685 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]CCNC(=O)C[N@H+]2CC[C@@H](C)C2)s1 ZINC001133845713 829685721 /nfs/dbraw/zinc/68/57/21/829685721.db2.gz MGDBUDHMEWCOGX-SNVBAGLBSA-N 2 0 340.453 -0.167 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC001133849923 829687042 /nfs/dbraw/zinc/68/70/42/829687042.db2.gz HIXPRDFTOXLQEV-UKRRQHHQSA-N 2 0 348.451 -0.427 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001133864157 829689289 /nfs/dbraw/zinc/68/92/89/829689289.db2.gz WAIFCWFDVLPMOQ-OLZOCXBDSA-N 2 0 337.472 -0.126 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)n(C)n1 ZINC001133866741 829689513 /nfs/dbraw/zinc/68/95/13/829689513.db2.gz OOAAXDMVFKDXNM-YPMHNXCESA-N 2 0 336.440 -0.429 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133865468 829689862 /nfs/dbraw/zinc/68/98/62/829689862.db2.gz DILUOIFUVYDCBC-OLZOCXBDSA-N 2 0 341.456 -0.484 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)c1ccc(CC[NH+](C)C)cc1)C(=O)NC(N)=O ZINC001133890189 829694514 /nfs/dbraw/zinc/69/45/14/829694514.db2.gz JSRJYFGPBSRSCI-GFCCVEGCSA-N 2 0 349.435 -0.307 20 0 EBADRP C[N@H+](CC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1)CC(C)(C)C ZINC001133899372 829695087 /nfs/dbraw/zinc/69/50/87/829695087.db2.gz DSYKCGNAOZTDCB-CQSZACIVSA-N 2 0 342.484 -0.035 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133896689 829695499 /nfs/dbraw/zinc/69/54/99/829695499.db2.gz OLKUCEHLTDTXNV-NSHDSACASA-N 2 0 327.429 -0.732 20 0 EBADRP C[N@H+](CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O)CC(C)(C)C ZINC001133908513 829697140 /nfs/dbraw/zinc/69/71/40/829697140.db2.gz VBUGVLOZOBTUEW-UHFFFAOYSA-N 2 0 327.429 -0.778 20 0 EBADRP CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C ZINC001133968367 829707995 /nfs/dbraw/zinc/70/79/95/829707995.db2.gz WKRZIZDHZNEONI-KGLIPLIRSA-N 2 0 330.473 -0.036 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C1([NH+](C)C)CCC1 ZINC001134583195 829797068 /nfs/dbraw/zinc/79/70/68/829797068.db2.gz GTUYRNZDMKMEBU-VXGBXAGGSA-N 2 0 338.456 -0.034 20 0 EBADRP CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001134737070 829836693 /nfs/dbraw/zinc/83/66/93/829836693.db2.gz NHHGHDANWWBCTL-ZIAGYGMSSA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)[NH+]1CCCCCC1 ZINC001134759604 829841451 /nfs/dbraw/zinc/84/14/51/829841451.db2.gz VBCCEVRDWNUDLA-CYBMUJFWSA-N 2 0 334.486 -0.494 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)N1CCOCC1 ZINC001135095202 829897006 /nfs/dbraw/zinc/89/70/06/829897006.db2.gz AHHBSXLWXFICCZ-GJZGRUSLSA-N 2 0 338.452 -0.432 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135095639 829897235 /nfs/dbraw/zinc/89/72/35/829897235.db2.gz MLYRKDLRFKQVSR-NWDGAFQWSA-N 2 0 325.413 -0.835 20 0 EBADRP O=C(NCC[NH2+]CCN1C(=O)CCC1=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135102991 829898431 /nfs/dbraw/zinc/89/84/31/829898431.db2.gz RUGHVKZNXDDXHV-KBPBESRZSA-N 2 0 336.436 -0.142 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135373198 829955328 /nfs/dbraw/zinc/95/53/28/829955328.db2.gz VIHOKPMXKROZJZ-KGLIPLIRSA-N 2 0 330.473 -0.036 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)CC[NH+](C)C ZINC001135371231 829955582 /nfs/dbraw/zinc/95/55/82/829955582.db2.gz DUHNHGKZLMHYLF-VXGBXAGGSA-N 2 0 327.429 -0.637 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001135511565 829978626 /nfs/dbraw/zinc/97/86/26/829978626.db2.gz SXHPDAPURZXDMB-LLVKDONJSA-N 2 0 329.363 -0.026 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001211240537 837412493 /nfs/dbraw/zinc/41/24/93/837412493.db2.gz MFXQDIWCRGCHGM-CYBMUJFWSA-N 2 0 339.440 -0.362 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001135861035 830035979 /nfs/dbraw/zinc/03/59/79/830035979.db2.gz LJVVCMZITZQKBO-OLZOCXBDSA-N 2 0 341.456 -0.247 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)COCC[NH+](C)C)[NH2+]CC(=O)N1CCC1 ZINC001135923006 830046276 /nfs/dbraw/zinc/04/62/76/830046276.db2.gz FKBRSIKGHWJVRC-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CC(=O)N1CCC1)NC(=O)COCC[NH+](C)C ZINC001135923005 830046879 /nfs/dbraw/zinc/04/68/79/830046879.db2.gz FKBRSIKGHWJVRC-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CCS(C)(=O)=O)NC(=O)COCC[NH+](C)C ZINC001135924632 830047661 /nfs/dbraw/zinc/04/76/61/830047661.db2.gz ULJIDWRPWQDZLB-STQMWFEESA-N 2 0 337.486 -0.518 20 0 EBADRP CCN(C)C(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135924058 830047920 /nfs/dbraw/zinc/04/79/20/830047920.db2.gz POKKMJAJIXRTFI-KGLIPLIRSA-N 2 0 330.473 -0.084 20 0 EBADRP CC(C)N1CC[C@H]([NH2+]CCNC(=O)COC2CC[NH+](C)CC2)C1=O ZINC001135963513 830052997 /nfs/dbraw/zinc/05/29/97/830052997.db2.gz QYAIBQANRBOUHX-HNNXBMFYSA-N 2 0 340.468 -0.188 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001135979499 830056276 /nfs/dbraw/zinc/05/62/76/830056276.db2.gz GVIHPBXJZYOHOM-STQMWFEESA-N 2 0 336.502 -0.250 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001211257852 837418109 /nfs/dbraw/zinc/41/81/09/837418109.db2.gz VVZOLARUDHKNLW-OLZOCXBDSA-N 2 0 339.440 -0.364 20 0 EBADRP COCCOC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211286141 837421673 /nfs/dbraw/zinc/42/16/73/837421673.db2.gz TYMBHHTYJWWBNC-HOTGVXAUSA-N 2 0 345.484 -0.069 20 0 EBADRP Cc1ccc(S(=O)(=O)NCC(=O)N(CCCC[NH3+])C(N)=[NH2+])cc1 ZINC001143072779 830142995 /nfs/dbraw/zinc/14/29/95/830142995.db2.gz VAAOISLKHGWITL-UHFFFAOYSA-N 2 0 341.437 -0.266 20 0 EBADRP COc1cc(C)nc(N(C(=O)CN(C)C(N)=[NH2+])C2CC[NH2+]CC2)n1 ZINC001144137699 830159753 /nfs/dbraw/zinc/15/97/53/830159753.db2.gz UZRNIXLQYGECGH-UHFFFAOYSA-N 2 0 335.412 -0.296 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146384883 830195633 /nfs/dbraw/zinc/19/56/33/830195633.db2.gz VNTRWEOQYFRDIP-INIZCTEOSA-N 2 0 345.484 -0.164 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146392366 830195690 /nfs/dbraw/zinc/19/56/90/830195690.db2.gz RPGBMTFXDZYNBB-UHFFFAOYSA-N 2 0 348.513 -0.248 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146409595 830197255 /nfs/dbraw/zinc/19/72/55/830197255.db2.gz YLWDZOAWHQHADG-KBPBESRZSA-N 2 0 348.513 -0.106 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)CCC[NH+]1CCCC1)[NH2+]CC(=O)NC(N)=O ZINC001146537572 830206591 /nfs/dbraw/zinc/20/65/91/830206591.db2.gz YJRSFQBQVNINIV-OLZOCXBDSA-N 2 0 341.456 -0.070 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001146599611 830211531 /nfs/dbraw/zinc/21/15/31/830211531.db2.gz CIWGLYIHEAXJKM-CHWSQXEVSA-N 2 0 336.502 -0.251 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001146709777 830221777 /nfs/dbraw/zinc/22/17/77/830221777.db2.gz DIHCRTZEEATTTA-LSDHHAIUSA-N 2 0 331.457 -0.410 20 0 EBADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001147359327 830327691 /nfs/dbraw/zinc/32/76/91/830327691.db2.gz OKCKGHMNTDIUEN-QWHCGFSZSA-N 2 0 341.456 -0.070 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C)C(=O)NC(N)=O ZINC001147430087 830343600 /nfs/dbraw/zinc/34/36/00/830343600.db2.gz YLVYMZLOJZXFOJ-SJKOYZFVSA-N 2 0 349.435 -0.247 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C(=O)Nc1ncccn1 ZINC001147848275 830421401 /nfs/dbraw/zinc/42/14/01/830421401.db2.gz JOUTXZVZUSYUCM-GFCCVEGCSA-N 2 0 338.412 -0.912 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001147884532 830425304 /nfs/dbraw/zinc/42/53/04/830425304.db2.gz DTFGIQNFRTZKNJ-CQSZACIVSA-N 2 0 331.482 -0.141 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)s1 ZINC001147884598 830426416 /nfs/dbraw/zinc/42/64/16/830426416.db2.gz GIUWPZAQUSQHKM-NSHDSACASA-N 2 0 340.453 -0.167 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147891987 830426983 /nfs/dbraw/zinc/42/69/83/830426983.db2.gz GDZPKCZOVOMXKS-ZDUSSCGKSA-N 2 0 341.456 -0.484 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)NC(=O)NC1CC1 ZINC001147900628 830428445 /nfs/dbraw/zinc/42/84/45/830428445.db2.gz SWJOHNRIZWXKKR-RYUDHWBXSA-N 2 0 339.440 -0.589 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001147900767 830428621 /nfs/dbraw/zinc/42/86/21/830428621.db2.gz VOYAUKKMUVGLBB-UONOGXRCSA-N 2 0 326.441 -0.813 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C12CC[NH+](CC1)C2)C(=O)NCC(F)(F)F ZINC001147999842 830436975 /nfs/dbraw/zinc/43/69/75/830436975.db2.gz FXMGASRBXIBMOP-JTQLQIEISA-N 2 0 336.358 -0.145 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001148205824 830457131 /nfs/dbraw/zinc/45/71/31/830457131.db2.gz PZEQXLALUOCQNA-HNNXBMFYSA-N 2 0 325.453 -0.130 20 0 EBADRP C[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](C[C@@H](O)Cn1cccn1)C2 ZINC001148221104 830459036 /nfs/dbraw/zinc/45/90/36/830459036.db2.gz QTIJCXZVADPQQJ-OAHLLOKOSA-N 2 0 335.452 -0.270 20 0 EBADRP COCCOC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148217264 830459314 /nfs/dbraw/zinc/45/93/14/830459314.db2.gz WKIDTYXQCUKSLG-OAHLLOKOSA-N 2 0 343.468 -0.504 20 0 EBADRP C[C@H](NC(=O)C[NH2+]CCNC(=O)CCCC[NH+](C)C)C(=O)N(C)C ZINC001148365527 830477000 /nfs/dbraw/zinc/47/70/00/830477000.db2.gz RXWRBUUCZKFPLO-ZDUSSCGKSA-N 2 0 343.472 -0.983 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001148578912 830512079 /nfs/dbraw/zinc/51/20/79/830512079.db2.gz XMVGPUPMRLHRST-UHFFFAOYSA-N 2 0 341.456 -0.246 20 0 EBADRP C[C@H](C(=O)N(C)C)[N@@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148611580 830518013 /nfs/dbraw/zinc/51/80/13/830518013.db2.gz FDCJXGKCBVWIJJ-CQSZACIVSA-N 2 0 340.468 -0.424 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CCCS(=O)(=O)CCOC ZINC001148642900 830522416 /nfs/dbraw/zinc/52/24/16/830522416.db2.gz PWIBQOZZEWDFJL-UHFFFAOYSA-N 2 0 337.486 -0.515 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)Nc1nnc(C)s1 ZINC001148638983 830523048 /nfs/dbraw/zinc/52/30/48/830523048.db2.gz WKNQJALIRZBHHU-UHFFFAOYSA-N 2 0 328.442 -0.167 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001148638703 830523182 /nfs/dbraw/zinc/52/31/82/830523182.db2.gz OCFISQLILKVAKK-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC001148654849 830524158 /nfs/dbraw/zinc/52/41/58/830524158.db2.gz BYRGNXFJNLFZOE-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001148655178 830524376 /nfs/dbraw/zinc/52/43/76/830524376.db2.gz JMTMNSHARBDHAQ-KGLIPLIRSA-N 2 0 328.457 -0.282 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148748253 830536254 /nfs/dbraw/zinc/53/62/54/830536254.db2.gz MTCIACBVBWCUDO-VXGBXAGGSA-N 2 0 337.424 -0.944 20 0 EBADRP COCCOCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001149400281 830658565 /nfs/dbraw/zinc/65/85/65/830658565.db2.gz VOVVGHSUBRJUMW-HOTGVXAUSA-N 2 0 343.468 -0.049 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCOCCO)CCCO1 ZINC001149888005 830776301 /nfs/dbraw/zinc/77/63/01/830776301.db2.gz ITSPZOZPMQWCSN-CVEARBPZSA-N 2 0 343.468 -0.313 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@H]1C[N@H+](CCn2cncn2)CCCO1 ZINC001150194303 830834337 /nfs/dbraw/zinc/83/43/37/830834337.db2.gz RQPKMQVRQDKTHB-HNNXBMFYSA-N 2 0 338.456 -0.173 20 0 EBADRP CN1CCC[C@@H]([N@@H+]2CCCO[C@@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001150240065 830846308 /nfs/dbraw/zinc/84/63/08/830846308.db2.gz AXUREIYJOIEWOC-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@H]1C[N@H+](CCn2cncn2)CCCO1 ZINC001150470625 830908964 /nfs/dbraw/zinc/90/89/64/830908964.db2.gz STIIRWJHXABYEV-HNNXBMFYSA-N 2 0 338.456 -0.173 20 0 EBADRP COC[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150587751 830938851 /nfs/dbraw/zinc/93/88/51/830938851.db2.gz JPBHQFARCLTWET-HUUCEWRRSA-N 2 0 331.457 -0.193 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](C[C@@H](O)COC)CCCO1 ZINC001150620607 830945866 /nfs/dbraw/zinc/94/58/66/830945866.db2.gz UJEWPEBISUUMQV-HUUCEWRRSA-N 2 0 331.457 -0.457 20 0 EBADRP COCCC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCN([C@H](C)C(N)=O)CC1 ZINC001151027166 831011840 /nfs/dbraw/zinc/01/18/40/831011840.db2.gz PVYXVJOWAHYYQZ-KGLIPLIRSA-N 2 0 340.468 -0.058 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(=O)NC(C)(C)C ZINC001151049677 831016224 /nfs/dbraw/zinc/01/62/24/831016224.db2.gz WAERSSFNVIUKKO-NEPJUHHUSA-N 2 0 341.456 -0.343 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2cc(=O)n3ccsc3n2)C1 ZINC001151049701 831016511 /nfs/dbraw/zinc/01/65/11/831016511.db2.gz WMQPWBNYVKNRQE-NSHDSACASA-N 2 0 335.433 -0.087 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CCN2C(=O)c3ccccc3C2=O)C1 ZINC001151056409 831016834 /nfs/dbraw/zinc/01/68/34/831016834.db2.gz MRDPQIFPKMDUSX-ZDUSSCGKSA-N 2 0 344.415 -0.060 20 0 EBADRP Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)[C@@H]3CC[N@H+](C)C3)C2=O)cn1 ZINC001151064729 831019373 /nfs/dbraw/zinc/01/93/73/831019373.db2.gz DRSBJAGAZPKPPQ-OCCSQVGLSA-N 2 0 334.424 -0.817 20 0 EBADRP Cc1cc(N2CC[C@H]([NH2+]CCNC(=O)[C@@H]3CC[N@H+](C)C3)C2=O)n(C)n1 ZINC001151065654 831021155 /nfs/dbraw/zinc/02/11/55/831021155.db2.gz MDGWIXIRORJGKJ-KGLIPLIRSA-N 2 0 348.451 -0.509 20 0 EBADRP CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151072923 831021194 /nfs/dbraw/zinc/02/11/94/831021194.db2.gz AKOWDJDKFHQVAN-KGLIPLIRSA-N 2 0 328.457 -0.425 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C[NH+]1CCCC1)C(=O)NC(=O)NC(C)(C)C ZINC001151096901 831024836 /nfs/dbraw/zinc/02/48/36/831024836.db2.gz HVYGKAYDPPRRRD-GFCCVEGCSA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C[NH+]2CCCC2)C[C@H](C)O1 ZINC001151101116 831026340 /nfs/dbraw/zinc/02/63/40/831026340.db2.gz MMQHMARMUCWCID-OKILXGFUSA-N 2 0 326.441 -0.576 20 0 EBADRP O=C(C[NH2+]CCNC(=O)C[NH+]1CCCC1)NCCOc1ccccc1 ZINC001151101826 831026503 /nfs/dbraw/zinc/02/65/03/831026503.db2.gz XJMZRLSTBUOSDO-UHFFFAOYSA-N 2 0 348.447 -0.017 20 0 EBADRP CC(C)CCOCCNC(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151106777 831026730 /nfs/dbraw/zinc/02/67/30/831026730.db2.gz HFJJNQZIDJHPLU-UHFFFAOYSA-N 2 0 342.484 -0.033 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001151156460 831032470 /nfs/dbraw/zinc/03/24/70/831032470.db2.gz CYQPJPGYCROPOK-KBPBESRZSA-N 2 0 336.440 -0.561 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001151156415 831033044 /nfs/dbraw/zinc/03/30/44/831033044.db2.gz CAMDRZYRFBWGGM-ZDUSSCGKSA-N 2 0 326.441 -0.813 20 0 EBADRP CC(C)[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151156391 831033655 /nfs/dbraw/zinc/03/36/55/831033655.db2.gz BLXCGTVYAYXWHT-CABCVRRESA-N 2 0 342.484 -0.179 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)NC1CCCC1 ZINC001151156627 831034588 /nfs/dbraw/zinc/03/45/88/831034588.db2.gz FMVNQWGRNATQIH-CQSZACIVSA-N 2 0 340.468 -0.281 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151160823 831036431 /nfs/dbraw/zinc/03/64/31/831036431.db2.gz ZIHVNPPSDRYOTE-CQSZACIVSA-N 2 0 328.457 -0.473 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)CCC[NH+]1CCCCC1 ZINC001151362479 831061168 /nfs/dbraw/zinc/06/11/68/831061168.db2.gz WXLHSERTMQTFER-UHFFFAOYSA-N 2 0 348.513 -0.102 20 0 EBADRP COCCC1(NC(=O)COCC[NH+](C)C)CC[NH+](C[C@@H](C)O)CC1 ZINC001151392561 831069863 /nfs/dbraw/zinc/06/98/63/831069863.db2.gz KRFKGMGLJWLXBV-OAHLLOKOSA-N 2 0 345.484 -0.067 20 0 EBADRP COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152230691 831143174 /nfs/dbraw/zinc/14/31/74/831143174.db2.gz GDSFRPXVFXNZRU-HOTGVXAUSA-N 2 0 345.484 -0.019 20 0 EBADRP CN(CC[NH2+]CCNC(=O)CCC[NH+]1CCCC1)S(C)(=O)=O ZINC001152223446 831143371 /nfs/dbraw/zinc/14/33/71/831143371.db2.gz LTOKBHZCDYPEHE-UHFFFAOYSA-N 2 0 334.486 -0.540 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152231164 831143832 /nfs/dbraw/zinc/14/38/32/831143832.db2.gz ZJBCXVHBJNDMBS-UHFFFAOYSA-N 2 0 328.457 -0.279 20 0 EBADRP O=C(CCC[NH+]1CCCC1)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001152222838 831143909 /nfs/dbraw/zinc/14/39/09/831143909.db2.gz CVBFITYXVIOCHW-OAHLLOKOSA-N 2 0 340.468 -0.137 20 0 EBADRP O=C(CCC[NH+]1CCCC1)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001152237340 831144722 /nfs/dbraw/zinc/14/47/22/831144722.db2.gz OJOMFVDTPNFDIK-UHFFFAOYSA-N 2 0 325.413 -0.880 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001152237749 831145086 /nfs/dbraw/zinc/14/50/86/831145086.db2.gz SYFBXHIQKFDFII-UHFFFAOYSA-N 2 0 335.408 -0.477 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152340224 831154299 /nfs/dbraw/zinc/15/42/99/831154299.db2.gz JFHGCEDXOGOGIN-OAHLLOKOSA-N 2 0 331.457 -0.408 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CC(=O)NCC(=O)NC(C)(C)C ZINC001152426855 831162355 /nfs/dbraw/zinc/16/23/55/831162355.db2.gz OTZNVXOZMNQLGF-UHFFFAOYSA-N 2 0 343.472 -0.937 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001152444902 831163427 /nfs/dbraw/zinc/16/34/27/831163427.db2.gz BFOVIPUCUHUGPI-CHWSQXEVSA-N 2 0 341.456 -0.199 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC[C@H]1CCCO1 ZINC001152446466 831164509 /nfs/dbraw/zinc/16/45/09/831164509.db2.gz ZCBKSPHFUWYJRV-ZIAGYGMSSA-N 2 0 328.457 -0.284 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)COCCOC ZINC001152458600 831165794 /nfs/dbraw/zinc/16/57/94/831165794.db2.gz RLXAZUNYNZUTLA-LSDHHAIUSA-N 2 0 331.457 -0.410 20 0 EBADRP CC(C)[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)[NH+]1CCCCC1 ZINC001152472086 831166350 /nfs/dbraw/zinc/16/63/50/831166350.db2.gz QAKUDIFBTKNVMD-QWHCGFSZSA-N 2 0 341.456 -0.214 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152479528 831167006 /nfs/dbraw/zinc/16/70/06/831167006.db2.gz HAESWKWCIRMVNB-HOTGVXAUSA-N 2 0 345.484 -0.164 20 0 EBADRP Cn1ncc2c1nc(C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C)[nH]c2=O ZINC001155791787 831429752 /nfs/dbraw/zinc/42/97/52/831429752.db2.gz YJXNIJMZCSSENO-LBPRGKRZSA-N 2 0 347.423 -0.241 20 0 EBADRP CC[N@H+](C[C@@H](O)COC)[C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001156058133 831451599 /nfs/dbraw/zinc/45/15/99/831451599.db2.gz RQGRWSGYYRYREY-HUUCEWRRSA-N 2 0 345.484 -0.069 20 0 EBADRP CS(=O)(=O)c1nc2c(c(-n3ccc(C[NH3+])cc3=N)n1)CC[NH2+]CC2 ZINC001156849762 831506543 /nfs/dbraw/zinc/50/65/43/831506543.db2.gz BOALOOMWZZLYDS-UHFFFAOYSA-N 2 0 348.432 -0.703 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[C@@H](OC(C)(C)C)C[NH2+]1 ZINC001157323352 831553533 /nfs/dbraw/zinc/55/35/33/831553533.db2.gz HPGOKBIFLMRYDJ-AGIUHOORSA-N 2 0 328.457 -0.108 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)[C@H]1C[NH2+]CC[C@H]1O)C(=O)N1CCCC1 ZINC001157369878 831561350 /nfs/dbraw/zinc/56/13/50/831561350.db2.gz YYKDCPHEPYSUMR-MELADBBJSA-N 2 0 326.441 -0.807 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C(=O)N1CCCC1 ZINC001157379152 831563480 /nfs/dbraw/zinc/56/34/80/831563480.db2.gz IMWMRCXXAHTSEX-GJZGRUSLSA-N 3 0 339.484 -0.451 20 0 EBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157386410 831563609 /nfs/dbraw/zinc/56/36/09/831563609.db2.gz KLCMOXLDSOBQQS-UONOGXRCSA-N 2 0 325.457 -0.874 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001157893468 831603039 /nfs/dbraw/zinc/60/30/39/831603039.db2.gz HPZKIYQBEBKISV-JKSUJKDBSA-N 2 0 345.484 -0.021 20 0 EBADRP CCOC(=O)[C@H]1CNCCN1C(=O)[C@@H]1C[N@@H+](C(C)(C)C)CCN1 ZINC001158005944 831619054 /nfs/dbraw/zinc/61/90/54/831619054.db2.gz FTHLTPWGSGQUDA-QWHCGFSZSA-N 2 0 326.441 -0.578 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158040064 831621941 /nfs/dbraw/zinc/62/19/41/831621941.db2.gz VKOMZIWYLGISOT-NEPJUHHUSA-N 2 0 325.413 -0.848 20 0 EBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158077298 831625707 /nfs/dbraw/zinc/62/57/07/831625707.db2.gz SWILCDYXKZGZAG-LBPRGKRZSA-N 2 0 330.454 -0.879 20 0 EBADRP O=C([C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091522 831626806 /nfs/dbraw/zinc/62/68/06/831626806.db2.gz DSTLNYFSCOOOHP-KDOFPFPSSA-N 3 0 349.479 -0.859 20 0 EBADRP O=C([C@@H]1[NH2+]Cc2ccccc21)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119906 831630009 /nfs/dbraw/zinc/63/00/09/831630009.db2.gz JAGBOJOEYHVLKQ-KDOFPFPSSA-N 2 0 326.400 -0.231 20 0 EBADRP CC(C)C1(C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CC[NH2+]CC1 ZINC001158120194 831630059 /nfs/dbraw/zinc/63/00/59/831630059.db2.gz KCMYLNGKKFVTIN-SFHVURJKSA-N 2 0 334.464 -0.050 20 0 EBADRP O=C(c1ccc2c(n1)CC[NH2+]C2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158119171 831630115 /nfs/dbraw/zinc/63/01/15/831630115.db2.gz GHBXFGZIRAHOST-SFHVURJKSA-N 2 0 341.415 -0.721 20 0 EBADRP O=C([C@H]1CCSC12C[NH2+]C2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120968 831630714 /nfs/dbraw/zinc/63/07/14/831630714.db2.gz QGKVHVBRGBLREY-IAQYHMDHSA-N 2 0 336.461 -0.980 20 0 EBADRP O=C(c1cccc2c1C[NH2+]CC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120931 831631042 /nfs/dbraw/zinc/63/10/42/831631042.db2.gz VVHNHBONCSVBRH-IBGZPJMESA-N 2 0 340.427 -0.116 20 0 EBADRP [NH3+][C@H](Cc1ccccc1F)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158121448 831631144 /nfs/dbraw/zinc/63/11/44/831631144.db2.gz UGQSITDPTMNUTM-RDTXWAMCSA-N 2 0 346.406 -0.366 20 0 EBADRP CC(C)[C@]1(C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CCC[NH2+]C1 ZINC001158121725 831631252 /nfs/dbraw/zinc/63/12/52/831631252.db2.gz WOZVRPHIXORNLY-ZWKOTPCHSA-N 2 0 334.464 -0.050 20 0 EBADRP O=C([C@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158160790 831633094 /nfs/dbraw/zinc/63/30/94/831633094.db2.gz MCRZCYCLNGVENJ-CZUORRHYSA-N 2 0 345.451 -0.331 20 0 EBADRP O=C(NCCC[NH2+]C[C@@H](O)Cn1cccn1)[C@H]1C[NH+]2CCC1CC2 ZINC001158202223 831638859 /nfs/dbraw/zinc/63/88/59/831638859.db2.gz HNTTWZRVGQLHAQ-CVEARBPZSA-N 2 0 335.452 -0.318 20 0 EBADRP O=C([C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158261166 831641935 /nfs/dbraw/zinc/64/19/35/831641935.db2.gz LLURDGURNSEPCL-MELADBBJSA-N 2 0 346.435 -0.534 20 0 EBADRP O=C(c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158313927 831645122 /nfs/dbraw/zinc/64/51/22/831645122.db2.gz KHVOPHAYOKSJGQ-LNSITVRQSA-N 2 0 342.403 -0.176 20 0 EBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCC2(CC1)COCC(=O)N2 ZINC001158326112 831646833 /nfs/dbraw/zinc/64/68/33/831646833.db2.gz GYQMRLTYNKSQPT-ZDUSSCGKSA-N 2 0 326.441 -0.447 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC)CC[N@@H+]1C ZINC001158412558 831652269 /nfs/dbraw/zinc/65/22/69/831652269.db2.gz PBKIFUGPHPFOHP-RWMBFGLXSA-N 2 0 341.456 -0.343 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158421801 831653234 /nfs/dbraw/zinc/65/32/34/831653234.db2.gz GFUWXPOMNFCSID-XGUBFFRZSA-N 3 0 337.468 -0.604 20 0 EBADRP O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158423050 831653397 /nfs/dbraw/zinc/65/33/97/831653397.db2.gz MHZHPLWYAACPOI-YNEHKIRRSA-N 2 0 327.450 -0.636 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158486111 831659038 /nfs/dbraw/zinc/65/90/38/831659038.db2.gz FSUIJWCMWWABSN-HUUCEWRRSA-N 2 0 340.468 -0.188 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158579192 831667808 /nfs/dbraw/zinc/66/78/08/831667808.db2.gz PMDLGMWQLCNYPI-YUTCNCBUSA-N 3 0 327.448 -0.728 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001158810238 831688794 /nfs/dbraw/zinc/68/87/94/831688794.db2.gz DHVHPWNKHYNROY-BYNSBNAKSA-N 2 0 338.452 -0.319 20 0 EBADRP N[C@]1(C(=O)N(c2ncccc2F)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)CC[NH2+]C1 ZINC001158905099 831694523 /nfs/dbraw/zinc/69/45/23/831694523.db2.gz WCDRUPOAJPEURP-OAUYIBNBSA-N 2 0 349.410 -0.235 20 0 EBADRP N[C@@H](CC[NH3+])C(=O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158903203 831694866 /nfs/dbraw/zinc/69/48/66/831694866.db2.gz MUPPMNJNAUEJIL-FFSVYQOJSA-N 2 0 337.399 -0.249 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001158967503 831698671 /nfs/dbraw/zinc/69/86/71/831698671.db2.gz AQTPNCDCKRTZEF-ZNMIVQPWSA-N 2 0 348.451 -0.261 20 0 EBADRP C[C@@H](C[NH3+])C(=O)N1CCc2c(C(=O)N3CCN(C)CC3)nn(C)c2C1 ZINC001159074671 831706225 /nfs/dbraw/zinc/70/62/25/831706225.db2.gz IPODPMMBMGWCKW-LBPRGKRZSA-N 2 0 348.451 -0.713 20 0 EBADRP COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@H]1CC[C@@H]1[NH3+] ZINC001159077612 831706821 /nfs/dbraw/zinc/70/68/21/831706821.db2.gz RLTCSXLBKHQTMQ-AYMQEEERSA-N 2 0 339.436 -0.021 20 0 EBADRP Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)cn1 ZINC001159085902 831707953 /nfs/dbraw/zinc/70/79/53/831707953.db2.gz ZJKOLJOSLQMQQO-SQWLQELKSA-N 2 0 346.435 -0.547 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCc2nnc(Cn3cccc3)n2CC1 ZINC001159103430 831709222 /nfs/dbraw/zinc/70/92/22/831709222.db2.gz QVHADOKPFWTABN-AWEZNQCLSA-N 2 0 345.451 -0.031 20 0 EBADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]([NH3+])CC[S@@](C)=O)C1 ZINC001159135734 831710961 /nfs/dbraw/zinc/71/09/61/831710961.db2.gz YGWYQBCLEDEFJJ-HEWAKGLMSA-N 2 0 341.481 -0.501 20 0 EBADRP [NH3+]C[C@H](O)CC(=O)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001159236322 831726323 /nfs/dbraw/zinc/72/63/23/831726323.db2.gz OKBNQKVIDJCJGC-CQSZACIVSA-N 2 0 344.419 -0.333 20 0 EBADRP Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@H]([NH3+])CCC[NH3+])cn1 ZINC001159237179 831726383 /nfs/dbraw/zinc/72/63/83/831726383.db2.gz XVBXTBAUSRJAFI-HZSPNIEDSA-N 2 0 334.424 -0.698 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001159273217 831733886 /nfs/dbraw/zinc/73/38/86/831733886.db2.gz QKLNPQYONACWJQ-ZNMIVQPWSA-N 2 0 348.451 -0.390 20 0 EBADRP CCN1CC[C@@]2(CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C[C@@H]2C)C1=O ZINC001159318418 831739132 /nfs/dbraw/zinc/73/91/32/831739132.db2.gz NXVKGIFVVLHXEB-HUBLWGQQSA-N 2 0 328.482 -0.278 20 0 EBADRP CCN1CC[C@@]2(CN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C[C@@H]2C)C1=O ZINC001159317961 831739342 /nfs/dbraw/zinc/73/93/42/831739342.db2.gz FMZHTOYSVVYZRF-JFTQMJAMSA-N 2 0 334.464 -0.098 20 0 EBADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@H]([NH3+])CCC[NH3+])CC3)CC1 ZINC001159417215 831751369 /nfs/dbraw/zinc/75/13/69/831751369.db2.gz MWUGFXFPZAVRCC-OAHLLOKOSA-N 3 0 349.483 -0.961 20 0 EBADRP Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@]24C[NH2+]C[C@H]2C[NH2+]CC4)C3)n1 ZINC001159472167 831755796 /nfs/dbraw/zinc/75/57/96/831755796.db2.gz RKJFGHKTVKJMAN-BQGCOEIASA-N 2 0 347.419 -0.696 20 0 EBADRP C[C@H]1CCCN1C(=O)c1n[nH]c2c1CN(C(=O)C[NH2+]CCC[NH3+])CC2 ZINC001159608982 831766888 /nfs/dbraw/zinc/76/68/88/831766888.db2.gz KLXSMEVTOCKYOO-LBPRGKRZSA-N 2 0 348.451 -0.143 20 0 EBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC[C@@H]2C1 ZINC001159635332 831767303 /nfs/dbraw/zinc/76/73/03/831767303.db2.gz LMEJHDJXQVFYQL-QLFBSQMISA-N 3 0 328.457 -0.752 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159667132 831771135 /nfs/dbraw/zinc/77/11/35/831771135.db2.gz SSZDKODIQXXCLR-IKGGRYGDSA-N 3 0 347.463 -0.051 20 0 EBADRP [NH3+][C@H]1CN[C@H](C(=O)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)C1 ZINC001159667154 831771183 /nfs/dbraw/zinc/77/11/83/831771183.db2.gz SZFASHQSZVCQPC-TWMKSMIVSA-N 2 0 345.447 -0.428 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1nccc(N2CCC([NH3+])CC2)n1 ZINC001159755704 831779188 /nfs/dbraw/zinc/77/91/88/831779188.db2.gz VRFINNYNXZUHRH-CHWSQXEVSA-N 2 0 334.424 -0.033 20 0 EBADRP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(=O)[C@@H](N)C[NH3+])C3)O2)CC1 ZINC001159759058 831779632 /nfs/dbraw/zinc/77/96/32/831779632.db2.gz VRTHNKAQWMESHL-HLLBOEOZSA-N 2 0 339.484 -0.940 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159861013 831788444 /nfs/dbraw/zinc/78/84/44/831788444.db2.gz ILRVRYUPVSZYED-UHFFFAOYSA-N 2 0 334.486 -0.494 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159861044 831789122 /nfs/dbraw/zinc/78/91/22/831789122.db2.gz IWMPWJLTGCUEME-UHFFFAOYSA-N 2 0 348.513 -0.152 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001159861709 831789134 /nfs/dbraw/zinc/78/91/34/831789134.db2.gz QGJPYOCPGVTGAZ-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)C1(C(=O)NCCC[NH2+]CC(=O)Nc2cnccn2)CCC1 ZINC001159854758 831789257 /nfs/dbraw/zinc/78/92/57/831789257.db2.gz SILKBZZNMPAYPZ-UHFFFAOYSA-N 2 0 334.424 -0.005 20 0 EBADRP O=C(NCCC[NH2+]CCOCCO)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001159868549 831790182 /nfs/dbraw/zinc/79/01/82/831790182.db2.gz GGWORLSAJHUIOG-INIZCTEOSA-N 2 0 343.468 -0.265 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CC(=O)Nc1cnccn1)C1CC1 ZINC001159916774 831796877 /nfs/dbraw/zinc/79/68/77/831796877.db2.gz SHPIWCFRLXGYHR-OAHLLOKOSA-N 2 0 334.424 -0.149 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159992538 831802843 /nfs/dbraw/zinc/80/28/43/831802843.db2.gz MFCQRBHOVVXOIF-GFCCVEGCSA-N 2 0 341.456 -0.199 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001160003450 831804893 /nfs/dbraw/zinc/80/48/93/831804893.db2.gz OXVSBQBAVDBPIK-UHFFFAOYSA-N 2 0 334.486 -0.494 20 0 EBADRP Cc1ccc(N(C(=O)C[C@H](O)C[NH3+])[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160051822 831810568 /nfs/dbraw/zinc/81/05/68/831810568.db2.gz JZNMEFQCDRDNFW-KEYYUXOJSA-N 2 0 349.435 -0.261 20 0 EBADRP [NH3+]CCC[NH2+]CC(=O)N1CCC2(C[C@H](c3cccnc3)C(=O)N2)CC1 ZINC001160111329 831815198 /nfs/dbraw/zinc/81/51/98/831815198.db2.gz WMJMXCOKMCXGON-OAHLLOKOSA-N 2 0 345.447 -0.015 20 0 EBADRP CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CCO2 ZINC001160180422 831822965 /nfs/dbraw/zinc/82/29/65/831822965.db2.gz SPOMXALXVBKCTG-DZGCQCFKSA-N 2 0 344.481 -0.755 20 0 EBADRP CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CCO2 ZINC001160180250 831823038 /nfs/dbraw/zinc/82/30/38/831823038.db2.gz RTZHEFRQDUGFFO-HOCLYGCPSA-N 2 0 326.441 -0.317 20 0 EBADRP CN(CC[NH2+]CCCNC(=O)CC[C@H]1CCC[N@@H+]1C)S(C)(=O)=O ZINC001160274819 831830297 /nfs/dbraw/zinc/83/02/97/831830297.db2.gz XKRSORSJJGVOPJ-CQSZACIVSA-N 2 0 348.513 -0.152 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001160273392 831830957 /nfs/dbraw/zinc/83/09/57/831830957.db2.gz LQOZBYHQSCOWNW-GFCCVEGCSA-N 2 0 327.429 -0.588 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160427046 831847784 /nfs/dbraw/zinc/84/77/84/831847784.db2.gz LWCHOZLWUYYQDZ-AWEZNQCLSA-N 2 0 343.472 -0.096 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001160461814 831853928 /nfs/dbraw/zinc/85/39/28/831853928.db2.gz XJTYKAHDUHNVDS-CQSZACIVSA-N 2 0 346.497 -0.316 20 0 EBADRP CC[NH+](CC)C1CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC1 ZINC001160482248 831854607 /nfs/dbraw/zinc/85/46/07/831854607.db2.gz CAXAZXWHWCAMBL-UHFFFAOYSA-N 2 0 334.486 -0.461 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1[C@@H](C(=O)OC)SC[C@@H]1C(=O)OC ZINC001160494268 831856952 /nfs/dbraw/zinc/85/69/52/831856952.db2.gz RVRYFXVYONJEGH-HOSYDEDBSA-N 2 0 347.437 -0.681 20 0 EBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)n1ccc([C@@H]2CCC[NH2+]2)nc1=N ZINC001160542063 831862248 /nfs/dbraw/zinc/86/22/48/831862248.db2.gz NCEBTRBPEBIHIH-MJVIPROJSA-N 2 0 334.424 -0.083 20 0 EBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC2(C1)CN(c1ccccc1)C2=O ZINC001160573908 831865452 /nfs/dbraw/zinc/86/54/52/831865452.db2.gz XYFOKNYXBLOPPX-AWEZNQCLSA-N 2 0 326.400 -0.329 20 0 EBADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCN(c2cccnn2)CC1 ZINC001160572058 831865673 /nfs/dbraw/zinc/86/56/73/831865673.db2.gz YMOGPFRFHUOFHF-CQSZACIVSA-N 2 0 330.436 -0.001 20 0 EBADRP CCOC(=O)[C@H]1CCCCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160585155 831867199 /nfs/dbraw/zinc/86/71/99/831867199.db2.gz ZCOFFLGJVFINPM-ZIAGYGMSSA-N 2 0 326.441 -0.319 20 0 EBADRP O=C([C@H]1[NH2+]CC[C@H]1O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160589469 831867586 /nfs/dbraw/zinc/86/75/86/831867586.db2.gz UZLCPQYKEFMWET-KGLIPLIRSA-N 2 0 330.388 -0.435 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CN(c2ccccc2)C3)CCO1 ZINC001160644297 831875461 /nfs/dbraw/zinc/87/54/61/831875461.db2.gz YKIXCJNXXUZURP-HFTRVMKXSA-N 2 0 330.432 -0.102 20 0 EBADRP COC(CN(C)C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])OC ZINC001160686831 831879221 /nfs/dbraw/zinc/87/92/21/831879221.db2.gz ZEQVMZJVBKOOCO-STQMWFEESA-N 2 0 344.456 -0.489 20 0 EBADRP C[N@H+]1C[C@H]2CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C[C@H]2C1 ZINC001160705126 831879768 /nfs/dbraw/zinc/87/97/68/831879768.db2.gz RJVFUYNBPVSCOY-XQQFMLRXSA-N 2 0 326.441 -0.735 20 0 EBADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001160716929 831879862 /nfs/dbraw/zinc/87/98/62/831879862.db2.gz TWIABIFPCVGWAY-CYBMUJFWSA-N 2 0 348.447 -0.094 20 0 EBADRP CCNC(=O)CO[C@H]1CCCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001160746859 831883072 /nfs/dbraw/zinc/88/30/72/831883072.db2.gz OCKRHJISOGJQCD-ZFWWWQNUSA-N 2 0 326.441 -0.543 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(C[C@@H](F)CO2)CC1 ZINC001160788255 831887086 /nfs/dbraw/zinc/88/70/86/831887086.db2.gz PUJVPCKHUYMQML-TZMCWYRMSA-N 2 0 328.432 -0.144 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3C[NH2+]C[C@@H](F)C3)C[C@H]1C2 ZINC001160791876 831887274 /nfs/dbraw/zinc/88/72/74/831887274.db2.gz GSGRDKVDHILIHM-UQSNBNBGSA-N 2 0 339.411 -0.209 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)[C@]3(C)CC[NH2+]C[C@@H]3O)C[C@H]1C[NH2+]CC2 ZINC001160811602 831889718 /nfs/dbraw/zinc/88/97/18/831889718.db2.gz QSPNRKKDZJLDNH-DLTLXFJOSA-N 2 0 339.436 -0.652 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCc2nc(C3CC3)ncc2C1 ZINC001160835089 831893416 /nfs/dbraw/zinc/89/34/16/831893416.db2.gz OSYGPIMUZAGFGU-OAHLLOKOSA-N 2 0 344.463 -0.011 20 0 EBADRP Cn1[nH]c(C[NH2+]CCCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)nc1=O ZINC001160868321 831900668 /nfs/dbraw/zinc/90/06/68/831900668.db2.gz LUCKUVDYVFQVSU-STQMWFEESA-N 2 0 336.440 -0.279 20 0 EBADRP CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1)[NH+](C)C ZINC001160890177 831904144 /nfs/dbraw/zinc/90/41/44/831904144.db2.gz XSXIWGUTXASMPQ-ZIAGYGMSSA-N 2 0 328.457 -0.425 20 0 EBADRP Cn1cc(C[NH2+]CCCNC(=O)C(C)(C)C[NH+]2CCOCC2)nn1 ZINC001160951949 831909163 /nfs/dbraw/zinc/90/91/63/831909163.db2.gz SNCWIOUENDQNEZ-UHFFFAOYSA-N 2 0 338.456 -0.231 20 0 EBADRP CC[C@H]([NH2+]CCCNC(=O)C(C)(C)C[NH+]1CCOCC1)C(N)=O ZINC001160951674 831909206 /nfs/dbraw/zinc/90/92/06/831909206.db2.gz NMODBSZPCLCMNT-ZDUSSCGKSA-N 2 0 328.457 -0.295 20 0 EBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001160951323 831909326 /nfs/dbraw/zinc/90/93/26/831909326.db2.gz HCUSLWUCVHXYBW-UHFFFAOYSA-N 2 0 342.484 -0.035 20 0 EBADRP Cn1ncc(C[NH2+]CCCNC(=O)C(C)(C)C[NH+]2CCOCC2)n1 ZINC001160952235 831909956 /nfs/dbraw/zinc/90/99/56/831909956.db2.gz XEMYMGAZLMAHPM-UHFFFAOYSA-N 2 0 338.456 -0.231 20 0 EBADRP O=C([C@@H]1CCCCN1[C@@H]1CC[NH2+]C1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161010115 831913852 /nfs/dbraw/zinc/91/38/52/831913852.db2.gz ZCNMUZDKVBUBGQ-PMPSAXMXSA-N 2 0 336.480 -0.082 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001161041804 831915938 /nfs/dbraw/zinc/91/59/38/831915938.db2.gz MAZDROWPVFLSCV-GJZGRUSLSA-N 2 0 340.468 -0.138 20 0 EBADRP CCOC(=O)[C@H]1COCCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001161093459 831923227 /nfs/dbraw/zinc/92/32/27/831923227.db2.gz OOPJPTBFYURILL-QWHCGFSZSA-N 2 0 325.409 -0.349 20 0 EBADRP COC[C@H]([NH3+])C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196524 831936045 /nfs/dbraw/zinc/93/60/45/831936045.db2.gz KZZZSCHDPRQFIA-INIZCTEOSA-N 2 0 342.484 -0.489 20 0 EBADRP [NH3+]C[C@]1(F)CCN(C(=O)[C@H]2C[NH2+]C[C@]23C(=O)Nc2ccccc23)C1 ZINC001161239879 831941157 /nfs/dbraw/zinc/94/11/57/831941157.db2.gz SSOFUUNCZHROHQ-CSMYWGQOSA-N 2 0 332.379 -0.005 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001161251519 831941762 /nfs/dbraw/zinc/94/17/62/831941762.db2.gz QZDIZBUNODNBDO-UHFFFAOYSA-N 2 0 330.473 -0.035 20 0 EBADRP COc1cnc(O[C@H]2CCN(C(=O)[C@H]([NH3+])C3CC[NH2+]CC3)C2)nc1 ZINC001161299554 831945065 /nfs/dbraw/zinc/94/50/65/831945065.db2.gz XFDKBVUVAIFEOB-GXTWGEPZSA-N 2 0 335.408 -0.208 20 0 EBADRP COc1cnc(O[C@H]2CCN(C(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)C2)nc1 ZINC001161299555 831945376 /nfs/dbraw/zinc/94/53/76/831945376.db2.gz XFDKBVUVAIFEOB-JSGCOSHPSA-N 2 0 335.408 -0.208 20 0 EBADRP COc1cc(C)nc(N(C(=O)[C@H]2[NH2+]CC[C@@H]2O)C2CC[NH2+]CC2)n1 ZINC001161308417 831946167 /nfs/dbraw/zinc/94/61/67/831946167.db2.gz BZQHZKBEMMVXGG-JSGCOSHPSA-N 2 0 335.408 -0.399 20 0 EBADRP COc1cc(C)nc(N(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C2CC[NH2+]CC2)n1 ZINC001161309177 831946870 /nfs/dbraw/zinc/94/68/70/831946870.db2.gz MTPWTEGQVPHYFA-CHWSQXEVSA-N 2 0 335.408 -0.399 20 0 EBADRP CN(CCC(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O)c1cc[nH+]cc1 ZINC001161408120 831954199 /nfs/dbraw/zinc/95/41/99/831954199.db2.gz QHLGWYGQQRXHTI-CQSZACIVSA-N 2 0 347.419 -0.191 20 0 EBADRP C[C@@H]1CN(C2CN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)C2)C[C@@H](C)O1 ZINC001161499118 831966700 /nfs/dbraw/zinc/96/67/00/831966700.db2.gz NYFRSJNKDWOQHM-XJKCOSOUSA-N 2 0 339.484 -0.943 20 0 EBADRP C[N@H+](C1CN(C(=O)[C@H]2CCCN([C@@H]3CC[NH2+]C3)C2)C1)[C@H]1CCOC1 ZINC001161499551 831966803 /nfs/dbraw/zinc/96/68/03/831966803.db2.gz PPWLOGABBJEWNR-XHSDSOJGSA-N 2 0 336.480 -0.008 20 0 EBADRP [NH3+][C@H]1CN(C(=O)[C@H]2Cn3ccnc3C23CC[NH2+]CC3)CC12COC2 ZINC001161501111 831966927 /nfs/dbraw/zinc/96/69/27/831966927.db2.gz SLBVBGPWYGFWKS-OLZOCXBDSA-N 2 0 331.420 -0.680 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@@]23C(=O)Nc2ccccc23)CC12COC2 ZINC001161508668 831967685 /nfs/dbraw/zinc/96/76/85/831967685.db2.gz GAELQAAVJISQKY-WRSAYESZSA-N 2 0 342.399 -0.718 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CN(c2ccccc2)C3)CC12COC2 ZINC001161511127 831967887 /nfs/dbraw/zinc/96/78/87/831967887.db2.gz WUQTXYROCQWVDH-GMBSWORKSA-N 2 0 342.443 -0.102 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001161644095 831980368 /nfs/dbraw/zinc/98/03/68/831980368.db2.gz HRZZOXAIYXGWSZ-GFCCVEGCSA-N 2 0 327.429 -0.602 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001161643890 831980504 /nfs/dbraw/zinc/98/05/04/831980504.db2.gz CVNZBYJGVUOWLM-CQSZACIVSA-N 2 0 348.513 -0.248 20 0 EBADRP CC[C@@H](C(N)=O)[N@H+]1CC=C(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001161698779 831983229 /nfs/dbraw/zinc/98/32/29/831983229.db2.gz DQUSIJPFCADYAP-HNNXBMFYSA-N 2 0 340.468 -0.033 20 0 EBADRP C[C@@H](C(N)=O)[N@H+]1CC=C(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001161699245 831983655 /nfs/dbraw/zinc/98/36/55/831983655.db2.gz PIDAYOKQAYAEPC-ZDUSSCGKSA-N 2 0 326.441 -0.423 20 0 EBADRP Cc1cnc(N2CCC(C[NH3+])CC2)nc1N(CC[NH3+])S(C)(=O)=O ZINC001162124115 832019557 /nfs/dbraw/zinc/01/95/57/832019557.db2.gz NPIRXPYNNVRMHP-UHFFFAOYSA-N 2 0 342.469 -0.315 20 0 EBADRP COCC1(CNC(=O)CC[NH+](C)C)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001162459212 832047502 /nfs/dbraw/zinc/04/75/02/832047502.db2.gz LERJWDAEDUANQB-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP COCC1(CNC(=O)CC[NH+](C)C)CC[NH+](CC(=O)N(C)C)CC1 ZINC001162457894 832048028 /nfs/dbraw/zinc/04/80/28/832048028.db2.gz ALGRRHHKVPSWDH-UHFFFAOYSA-N 2 0 342.484 -0.129 20 0 EBADRP COCC1(CNC(=O)C[NH+]2CCCC2)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001162604372 832055283 /nfs/dbraw/zinc/05/52/83/832055283.db2.gz PTVQPUSNAYWJSN-AWEZNQCLSA-N 2 0 340.468 -0.199 20 0 EBADRP CS(=O)(=O)c1nc2c(c(N[C@@H]3C=C[C@H]4C[NH2+]C[C@@H]43)n1)CC[NH2+]CC2 ZINC001162790031 832062695 /nfs/dbraw/zinc/06/26/95/832062695.db2.gz PTQHSUQUQWGQOB-WCFLWFBJSA-N 2 0 349.460 -0.246 20 0 EBADRP Cn1nccc1C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872249 832068634 /nfs/dbraw/zinc/06/86/34/832068634.db2.gz LSDYQZQHMTXJMB-GULBITTBSA-N 2 0 333.436 -0.121 20 0 EBADRP CCn1ncnc1C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872312 832069230 /nfs/dbraw/zinc/06/92/30/832069230.db2.gz NMDSBPRCRSHUDB-UUCFBXCCSA-N 2 0 348.451 -0.243 20 0 EBADRP CCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872341 832069331 /nfs/dbraw/zinc/06/93/31/832069331.db2.gz OOZVZYKDFUAEMF-XOYHFGRZSA-N 2 0 338.452 -0.528 20 0 EBADRP C[C@@H]1CN(c2ccc(NCc3nnn4c3C[NH2+]CCC4)nn2)CC[NH2+]1 ZINC001162972940 832073464 /nfs/dbraw/zinc/07/34/64/832073464.db2.gz MITYHOBIZTWUMG-GFCCVEGCSA-N 2 0 343.439 -0.028 20 0 EBADRP O=C(NCCC[NH2+][C@H]1CCC(=O)NC1=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001163232088 832091568 /nfs/dbraw/zinc/09/15/68/832091568.db2.gz MUIWRJTZSCNJEK-DZGCQCFKSA-N 2 0 336.436 -0.238 20 0 EBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ccc(OCC[NH+]3CCCC3)nn2)N1 ZINC001163240124 832092769 /nfs/dbraw/zinc/09/27/69/832092769.db2.gz XDXPVOZITVCLKE-BLLLJJGKSA-N 2 0 332.408 -0.059 20 0 EBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC001350341576 832156457 /nfs/dbraw/zinc/15/64/57/832156457.db2.gz KEYDSLMDYZLJRP-ZIAGYGMSSA-N 2 0 328.457 -0.473 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCC2)C1 ZINC001164538409 832195816 /nfs/dbraw/zinc/19/58/16/832195816.db2.gz GPCHIVNIEMVLFA-AWEZNQCLSA-N 2 0 326.441 -0.576 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001164574642 832198766 /nfs/dbraw/zinc/19/87/66/832198766.db2.gz UUBMDFYCRHPVQR-RYUDHWBXSA-N 2 0 327.429 -0.732 20 0 EBADRP O=C1CN(c2cccc(N3CCOCC3)[nH+]2)CC2(CC[NH2+]CC2)N1 ZINC001165256131 832208585 /nfs/dbraw/zinc/20/85/85/832208585.db2.gz LXZGWBSESRDPCE-UHFFFAOYSA-N 2 0 331.420 -0.023 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165254177 832208886 /nfs/dbraw/zinc/20/88/86/832208886.db2.gz NXNVPDWEBJHIEA-UHFFFAOYSA-N 2 0 327.429 -0.730 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CCC(C)(O)CC1 ZINC001351207144 832221991 /nfs/dbraw/zinc/22/19/91/832221991.db2.gz ABFHFRRBOYGEPU-UHFFFAOYSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[C@H](C(=O)NCCC1(C[NH2+][C@@H](C)C(=O)NC(N)=O)CC1)[NH+](C)C ZINC001165718467 832234457 /nfs/dbraw/zinc/23/44/57/832234457.db2.gz KTOFOBYXCYELFQ-NWDGAFQWSA-N 2 0 341.456 -0.214 20 0 EBADRP C[NH+](C)CCC(=O)NCCC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC001165781116 832237570 /nfs/dbraw/zinc/23/75/70/832237570.db2.gz GTDOLFGCLGAOIC-AWEZNQCLSA-N 2 0 338.456 -0.138 20 0 EBADRP C[NH+]1CCC(C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCOC2)CC1 ZINC001165777825 832237741 /nfs/dbraw/zinc/23/77/41/832237741.db2.gz ZFARNYGFSLGSSB-AWEZNQCLSA-N 2 0 340.468 -0.423 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001351552881 832250064 /nfs/dbraw/zinc/25/00/64/832250064.db2.gz QZRYIFJCROEOPT-YUTCNCBUSA-N 2 0 326.441 -0.714 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001166626187 832274472 /nfs/dbraw/zinc/27/44/72/832274472.db2.gz CCEQUIHCRILMPU-GJZGRUSLSA-N 2 0 331.457 -0.410 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001166633460 832275047 /nfs/dbraw/zinc/27/50/47/832275047.db2.gz GIUJCKQVNHPNHA-LSDHHAIUSA-N 2 0 340.468 -0.138 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166667798 832277910 /nfs/dbraw/zinc/27/79/10/832277910.db2.gz ITGIMWXUGBINLF-AWEZNQCLSA-N 2 0 328.457 -0.423 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001166736585 832285999 /nfs/dbraw/zinc/28/59/99/832285999.db2.gz NZJONRPHFKQCFJ-UHFFFAOYSA-N 2 0 339.440 -0.634 20 0 EBADRP CNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001166814950 832290258 /nfs/dbraw/zinc/29/02/58/832290258.db2.gz VVMRBQVZBHFTCJ-CQSZACIVSA-N 2 0 340.468 -0.282 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001351982459 832300132 /nfs/dbraw/zinc/30/01/32/832300132.db2.gz GLWZYWXDJNUWNA-UHFFFAOYSA-N 2 0 325.457 -0.968 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001166931049 832300245 /nfs/dbraw/zinc/30/02/45/832300245.db2.gz QJHJFJJOWALNEX-KBPBESRZSA-N 2 0 328.457 -0.282 20 0 EBADRP C[C@@H](COCC(=O)NCCC[NH2+]CCOCCO)[NH+]1CCCC1 ZINC001166931879 832300483 /nfs/dbraw/zinc/30/04/83/832300483.db2.gz YLOFNUJWDIGNFS-HNNXBMFYSA-N 2 0 331.457 -0.408 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166972383 832304258 /nfs/dbraw/zinc/30/42/58/832304258.db2.gz YJBNHXROJBRTFO-UHFFFAOYSA-N 2 0 341.456 -0.340 20 0 EBADRP CCN(CCCNC(=O)[C@H]1CN(C)CCO1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001352090396 832305552 /nfs/dbraw/zinc/30/55/52/832305552.db2.gz FTYFGVKUVBBYMM-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001167633438 832360487 /nfs/dbraw/zinc/36/04/87/832360487.db2.gz CKODAZVHLIZKHE-AWEZNQCLSA-N 2 0 348.513 -0.106 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001167627493 832360595 /nfs/dbraw/zinc/36/05/95/832360595.db2.gz ONVTVMJPQOPIOJ-LBPRGKRZSA-N 2 0 327.429 -0.460 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001167633440 832360957 /nfs/dbraw/zinc/36/09/57/832360957.db2.gz CKODAZVHLIZKHE-CQSZACIVSA-N 2 0 348.513 -0.106 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167655385 832361069 /nfs/dbraw/zinc/36/10/69/832361069.db2.gz OMNWHYOUGIEFHF-UHFFFAOYSA-N 2 0 327.429 -0.730 20 0 EBADRP CC(C)NC(=O)C[NH2+]CC1(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001167732796 832367940 /nfs/dbraw/zinc/36/79/40/832367940.db2.gz NJBPJXSRBSRLJP-UHFFFAOYSA-N 2 0 342.484 -0.035 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NCCC[NH2+][C@H]2CCCNC2=O)cn1 ZINC001168051220 832391281 /nfs/dbraw/zinc/39/12/81/832391281.db2.gz BLNYXGYJZCTRLQ-AWEZNQCLSA-N 2 0 336.440 -0.567 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC2(C[NH2+][C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC001168138579 832399200 /nfs/dbraw/zinc/39/92/00/832399200.db2.gz SSNZFEZITKJMOP-QWHCGFSZSA-N 2 0 336.436 -0.381 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC2(C[NH2+]CCS(C)(=O)=O)CC2)C1 ZINC001168138161 832399272 /nfs/dbraw/zinc/39/92/72/832399272.db2.gz SDNNAKYMGWCAOK-CYBMUJFWSA-N 2 0 331.482 -0.141 20 0 EBADRP O=C(C[NH+]1CCCC1)NCCC1(C[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001168153209 832400534 /nfs/dbraw/zinc/40/05/34/832400534.db2.gz KDNCRAYWGLFUKJ-CYBMUJFWSA-N 2 0 336.436 -0.237 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC[N@@H+]1C ZINC001353263243 832418563 /nfs/dbraw/zinc/41/85/63/832418563.db2.gz XXJJMGKNPPLSFA-GRYCIOLGSA-N 2 0 332.395 -0.054 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001353284967 832419809 /nfs/dbraw/zinc/41/98/09/832419809.db2.gz ITJSJGPWVXGFNA-HIFRSBDPSA-N 2 0 339.484 -0.485 20 0 EBADRP [NH3+]C[C@H]1CC2(CO1)CCN(C(=O)NCCCN1CC[NH2+]CC1)CC2 ZINC001353413527 832426317 /nfs/dbraw/zinc/42/63/17/832426317.db2.gz KFHSCJYSBRCETM-OAHLLOKOSA-N 2 0 339.484 -0.179 20 0 EBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)C1 ZINC001353526313 832431957 /nfs/dbraw/zinc/43/19/57/832431957.db2.gz IRRWKCDPUOYOCG-CPUCHLNUSA-N 2 0 338.452 -0.684 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001168763647 832434204 /nfs/dbraw/zinc/43/42/04/832434204.db2.gz RCTJWTYMHPMIQR-AWEZNQCLSA-N 2 0 328.457 -0.423 20 0 EBADRP [NH3+][C@@H](CO)Cc1cncn1-c1ccc([C@@H]2CC3(C[NH2+]C3)C(=O)N2)cc1 ZINC001169073230 832446695 /nfs/dbraw/zinc/44/66/95/832446695.db2.gz DSJPYDOHEAPMQM-CJNGLKHVSA-N 2 0 341.415 -0.115 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001169126646 832449826 /nfs/dbraw/zinc/44/98/26/832449826.db2.gz CNNOPBVDLDWUNP-UHFFFAOYSA-N 2 0 327.429 -0.730 20 0 EBADRP CN1CC[C@@H]([NH2+]CCCNC(=O)COC2CC[NH+](C)CC2)C1=O ZINC001169530651 832465936 /nfs/dbraw/zinc/46/59/36/832465936.db2.gz GWVZQOWFIUUCAA-CQSZACIVSA-N 2 0 326.441 -0.576 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001169957407 832482832 /nfs/dbraw/zinc/48/28/32/832482832.db2.gz BXVWYUNBECYPSK-GFCCVEGCSA-N 2 0 341.456 -0.214 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001170210583 832491987 /nfs/dbraw/zinc/49/19/87/832491987.db2.gz DDHCOQZBCGOGGA-AWEZNQCLSA-N 2 0 328.457 -0.281 20 0 EBADRP CC[C@@H]([NH2+]C)C(=O)N1CCNCCN(C(=O)[C@H](CC)[NH2+]C)CC1 ZINC001354902356 832532567 /nfs/dbraw/zinc/53/25/67/832532567.db2.gz COFCDCQAJRAVDY-OKILXGFUSA-N 2 0 327.473 -0.757 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CC(=O)N1CCCCC1 ZINC001171198609 832550525 /nfs/dbraw/zinc/55/05/25/832550525.db2.gz QHCADGONPNWQEB-UHFFFAOYSA-N 2 0 328.457 -0.327 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001171215405 832551112 /nfs/dbraw/zinc/55/11/12/832551112.db2.gz BYSFRJWEBUDXAM-AWEZNQCLSA-N 2 0 346.497 -0.540 20 0 EBADRP CCS(=O)(=O)CCC[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171216374 832551493 /nfs/dbraw/zinc/55/14/93/832551493.db2.gz HJPINBJRWQCFAR-UHFFFAOYSA-N 2 0 337.486 -0.515 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171228089 832552660 /nfs/dbraw/zinc/55/26/60/832552660.db2.gz RRXHEMCJFGJHDW-CABCVRRESA-N 2 0 342.484 -0.035 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171578964 832566108 /nfs/dbraw/zinc/56/61/08/832566108.db2.gz NPDVJTGHZBPCSH-UHFFFAOYSA-N 2 0 336.502 -0.247 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001171725513 832573977 /nfs/dbraw/zinc/57/39/77/832573977.db2.gz NLHJAXPCFHMYTE-UHFFFAOYSA-N 2 0 328.457 -0.327 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001171770081 832575935 /nfs/dbraw/zinc/57/59/35/832575935.db2.gz LXANMXMZFWATLF-HNNXBMFYSA-N 2 0 345.484 -0.019 20 0 EBADRP C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)CC1 ZINC001356428875 832628100 /nfs/dbraw/zinc/62/81/00/832628100.db2.gz RCTDKKZQUOKAPG-AWEZNQCLSA-N 2 0 338.452 -0.528 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001176056569 832653904 /nfs/dbraw/zinc/65/39/04/832653904.db2.gz GZEOYDCVPAFHIF-ZDUSSCGKSA-N 2 0 332.470 -0.931 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]C[C@H](O)COCC(F)(F)F)C1 ZINC001176056840 832654082 /nfs/dbraw/zinc/65/40/82/832654082.db2.gz KZBJBOMUHFQOOI-RYUDHWBXSA-N 2 0 341.374 -0.026 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001176056861 832654102 /nfs/dbraw/zinc/65/41/02/832654102.db2.gz LHCLANYEZQNQRT-KGLIPLIRSA-N 2 0 331.482 -0.141 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001176056860 832654135 /nfs/dbraw/zinc/65/41/35/832654135.db2.gz LHCLANYEZQNQRT-KBPBESRZSA-N 2 0 331.482 -0.141 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001176056568 832654293 /nfs/dbraw/zinc/65/42/93/832654293.db2.gz GZEOYDCVPAFHIF-CYBMUJFWSA-N 2 0 332.470 -0.931 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001176057167 832654349 /nfs/dbraw/zinc/65/43/49/832654349.db2.gz MSDYRMRZXYDNCG-KGLIPLIRSA-N 2 0 331.482 -0.141 20 0 EBADRP Cn1cc(N2CC[C@@H]([NH2+]CCCNC(=O)[C@@H]3CC[N@H+](C)C3)C2=O)cn1 ZINC001176057686 832654360 /nfs/dbraw/zinc/65/43/60/832654360.db2.gz QZMHBZLVPZJACY-UKRRQHHQSA-N 2 0 348.451 -0.427 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]CCCNC(=O)[C@H]2CC[N@@H+](C)C2)s1 ZINC001176049189 832654368 /nfs/dbraw/zinc/65/43/68/832654368.db2.gz KLEWQUSAVKWHBZ-NSHDSACASA-N 2 0 340.453 -0.167 20 0 EBADRP Cn1ccc(N2CC[C@H]([NH2+]CCCNC(=O)[C@@H]3CC[N@H+](C)C3)C2=O)n1 ZINC001176057529 832654496 /nfs/dbraw/zinc/65/44/96/832654496.db2.gz PRHZPITZGSBINY-KGLIPLIRSA-N 2 0 348.451 -0.427 20 0 EBADRP COCCS(=O)(=O)CCC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176058090 832655175 /nfs/dbraw/zinc/65/51/75/832655175.db2.gz UIVZDPLMTUURHQ-AWEZNQCLSA-N 2 0 349.497 -0.515 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001176072365 832655563 /nfs/dbraw/zinc/65/55/63/832655563.db2.gz QTYVJJJVBYIEPT-ZIAGYGMSSA-N 2 0 326.441 -0.671 20 0 EBADRP COC[C@@H](O)C[NH2+]CCCC[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001176155310 832659648 /nfs/dbraw/zinc/65/96/48/832659648.db2.gz AQQGQSHXXZDEGY-CABCVRRESA-N 2 0 333.473 -0.164 20 0 EBADRP Cc1nonc1C[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176170377 832661108 /nfs/dbraw/zinc/66/11/08/832661108.db2.gz UUIIPLCYOFZAHM-GFCCVEGCSA-N 2 0 325.413 -0.058 20 0 EBADRP C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176164700 832661315 /nfs/dbraw/zinc/66/13/15/832661315.db2.gz DLYDMTJAXHQHPQ-CHWSQXEVSA-N 2 0 341.456 -0.212 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001176857472 832696173 /nfs/dbraw/zinc/69/61/73/832696173.db2.gz WTMJABLCDRABNA-ZIAGYGMSSA-N 2 0 325.457 -0.020 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCC[NH+]1CCCC1 ZINC001176884696 832700443 /nfs/dbraw/zinc/70/04/43/832700443.db2.gz PCIYHCKOKOKNFY-CYBMUJFWSA-N 2 0 341.456 -0.198 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)CCC[NH+]1CCCC1)C(=O)NC(N)=O ZINC001176884773 832701048 /nfs/dbraw/zinc/70/10/48/832701048.db2.gz SZTAHVPWJXXOIX-GFCCVEGCSA-N 2 0 327.429 -0.458 20 0 EBADRP O=C(CC[NH+]1CCCCC1)NCCC[NH2+]CCN1CCNC1=O ZINC001176930109 832711878 /nfs/dbraw/zinc/71/18/78/832711878.db2.gz DWMUTZCDTYFQAT-UHFFFAOYSA-N 2 0 325.457 -0.017 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001176986036 832725713 /nfs/dbraw/zinc/72/57/13/832725713.db2.gz CHJZSPJRFLPCEW-OAHLLOKOSA-N 2 0 340.468 -0.185 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCNS(=O)(=O)CC ZINC001176991784 832727637 /nfs/dbraw/zinc/72/76/37/832727637.db2.gz DQZLPBRQPHQIAA-AWEZNQCLSA-N 2 0 348.513 -0.104 20 0 EBADRP CC(C)[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)[NH+]1CCCC1 ZINC001176998917 832730330 /nfs/dbraw/zinc/73/03/30/832730330.db2.gz LVCFPDDDRITLNX-OLZOCXBDSA-N 2 0 341.456 -0.214 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001178361414 832853032 /nfs/dbraw/zinc/85/30/32/832853032.db2.gz YORSNUINKCFATD-RWMBFGLXSA-N 2 0 332.470 -0.791 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178360148 832853642 /nfs/dbraw/zinc/85/36/42/832853642.db2.gz MQEKQYZOVSSSIP-BPUTZDHNSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001179145867 832956592 /nfs/dbraw/zinc/95/65/92/832956592.db2.gz BWROATWKKOONGA-GWCFXTLKSA-N 2 0 344.375 -0.278 20 0 EBADRP COCCOC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001179303436 832968766 /nfs/dbraw/zinc/96/87/66/832968766.db2.gz CAFXVOYUGGJVMH-YHUYYLMFSA-N 2 0 343.468 -0.317 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCCCCC[NH2+]CC(N)=O)C1 ZINC001179370483 832971899 /nfs/dbraw/zinc/97/18/99/832971899.db2.gz CFRWKHHQFFTEON-AWEZNQCLSA-N 2 0 328.457 -0.153 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]2C)C1 ZINC001179539105 832985556 /nfs/dbraw/zinc/98/55/56/832985556.db2.gz OPQHYNLBKNEKNV-WOPDTQHZSA-N 2 0 325.413 -0.898 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001179538379 832985985 /nfs/dbraw/zinc/98/59/85/832985985.db2.gz BTUMFGPYJVHNBJ-AGIUHOORSA-N 2 0 339.440 -0.637 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)[C@@H]1C)[NH+](C)C ZINC001179553962 832988966 /nfs/dbraw/zinc/98/89/66/832988966.db2.gz IDZZBWAILLUASY-RHYQMDGZSA-N 2 0 327.429 -0.511 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001187329756 833921204 /nfs/dbraw/zinc/92/12/04/833921204.db2.gz VCAOCYHYIKXUTR-NWDGAFQWSA-N 2 0 327.429 -0.637 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C2)C1 ZINC001187817474 833969562 /nfs/dbraw/zinc/96/95/62/833969562.db2.gz FXAJFGWNSGIFSA-WDEREUQCSA-N 2 0 336.358 -0.193 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]C[C@H](O)CN3CCCC3=O)C2)C1 ZINC001187825329 833971602 /nfs/dbraw/zinc/97/16/02/833971602.db2.gz KRYUPWDAFAZOKO-ZNMIVQPWSA-N 2 0 338.452 -0.888 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001187851978 833973177 /nfs/dbraw/zinc/97/31/77/833973177.db2.gz XZFZCZILYQHEFV-DZGCQCFKSA-N 2 0 338.452 -0.576 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1)C(=O)NC(N)=O ZINC001188098812 834002851 /nfs/dbraw/zinc/00/28/51/834002851.db2.gz DZCWGKSCYURZJO-QWHCGFSZSA-N 2 0 339.440 -0.364 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189477996 834159929 /nfs/dbraw/zinc/15/99/29/834159929.db2.gz MNXGJQAIMWETRX-MELADBBJSA-N 2 0 336.436 -0.334 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001189478393 834160349 /nfs/dbraw/zinc/16/03/49/834160349.db2.gz SBGAXGJRKBSFPJ-LSDHHAIUSA-N 2 0 337.468 -0.114 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@H]([N@H+](C)CCN2C(=O)CNC2=O)C1 ZINC001192047414 834600984 /nfs/dbraw/zinc/60/09/84/834600984.db2.gz RXZKRQDUSZPTCX-ZDUSSCGKSA-N 2 0 339.440 -0.587 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192152758 834618135 /nfs/dbraw/zinc/61/81/35/834618135.db2.gz IWLBSKHOQYPGDM-VXGBXAGGSA-N 2 0 327.429 -0.685 20 0 EBADRP CN(C)S(=O)(=O)CCC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169596 834619750 /nfs/dbraw/zinc/61/97/50/834619750.db2.gz AZJIWOPYBMYRFV-AWEZNQCLSA-N 2 0 348.513 -0.248 20 0 EBADRP COCCOC[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192171858 834621562 /nfs/dbraw/zinc/62/15/62/834621562.db2.gz XETBXYYPDVRTJM-CABCVRRESA-N 2 0 331.457 -0.505 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@H+](C)C[C@@H](O)COCCOC)C1 ZINC001192970865 834773792 /nfs/dbraw/zinc/77/37/92/834773792.db2.gz ZLSPOLRIAFIYIO-HZPDHXFCSA-N 2 0 345.484 -0.115 20 0 EBADRP C[C@@H](C(=O)NC1CC1)[N@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487800 834886816 /nfs/dbraw/zinc/88/68/16/834886816.db2.gz FZRQUETXJZIYDO-DZGCQCFKSA-N 2 0 340.468 -0.236 20 0 EBADRP CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)C1=O ZINC001193487510 834888325 /nfs/dbraw/zinc/88/83/25/834888325.db2.gz AIZGIIFGTRCPNE-CABCVRRESA-N 2 0 340.468 -0.282 20 0 EBADRP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102397 835022761 /nfs/dbraw/zinc/02/27/61/835022761.db2.gz KDHLKRAKBHDAHM-HUUCEWRRSA-N 2 0 343.468 -0.457 20 0 EBADRP COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194103056 835025178 /nfs/dbraw/zinc/02/51/78/835025178.db2.gz TXPGYVVQROWNGP-RRFJBIMHSA-N 2 0 343.468 -0.459 20 0 EBADRP CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194103207 835025499 /nfs/dbraw/zinc/02/54/99/835025499.db2.gz WJPLOTSJSFMGKC-RRFJBIMHSA-N 2 0 343.468 -0.459 20 0 EBADRP C[C@H](O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001194399704 835098996 /nfs/dbraw/zinc/09/89/96/835098996.db2.gz QKIFUKZLKWKICD-RRFJBIMHSA-N 2 0 325.453 -0.063 20 0 EBADRP CC(C)N1CC[C@@H](N2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001195709099 835276365 /nfs/dbraw/zinc/27/63/65/835276365.db2.gz WPGLWJZWYHOYHX-RBSFLKMASA-N 2 0 340.468 -0.501 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[N@H+](CCCN2C(=O)CNC2=O)CC1 ZINC001197049466 835499527 /nfs/dbraw/zinc/49/95/27/835499527.db2.gz RPVKHCPKFVVPIE-UHFFFAOYSA-N 2 0 339.440 -0.586 20 0 EBADRP CC[C@@H](C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1)OC ZINC001197319422 835537124 /nfs/dbraw/zinc/53/71/24/835537124.db2.gz FKLVSPDIMQTYLU-NUEKZKHPSA-N 2 0 343.468 -0.317 20 0 EBADRP Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)cn1 ZINC001199057988 835756840 /nfs/dbraw/zinc/75/68/40/835756840.db2.gz ZCDSYAURHJAOGV-IAGOWNOFSA-N 2 0 349.479 0.000 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1 ZINC001199787515 835860608 /nfs/dbraw/zinc/86/06/08/835860608.db2.gz ARNXBRZNSDFLLS-CYBMUJFWSA-N 2 0 332.470 -0.790 20 0 EBADRP CN(CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)S(C)(=O)=O ZINC001199788746 835861142 /nfs/dbraw/zinc/86/11/42/835861142.db2.gz YTXPHRRDKYQONK-AWEZNQCLSA-N 2 0 346.497 -0.447 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001199826415 835866381 /nfs/dbraw/zinc/86/63/81/835866381.db2.gz KOMXDRKUDQMBMR-HOTGVXAUSA-N 2 0 335.452 -0.081 20 0 EBADRP OCC[NH+](CCO)CCCNC(=S)NCC[NH+]1CCCCC1 ZINC001200438399 835967136 /nfs/dbraw/zinc/96/71/36/835967136.db2.gz ZPZLOEBYMFXLBJ-UHFFFAOYSA-N 2 0 332.514 -0.387 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200480241 835972654 /nfs/dbraw/zinc/97/26/54/835972654.db2.gz YLVCLUDBLYEIOY-GJZGRUSLSA-N 2 0 340.468 -0.188 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200480242 835972827 /nfs/dbraw/zinc/97/28/27/835972827.db2.gz YLVCLUDBLYEIOY-HUUCEWRRSA-N 2 0 340.468 -0.188 20 0 EBADRP CS(=O)(=O)CC[NH2+]C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001200606019 835995748 /nfs/dbraw/zinc/99/57/48/835995748.db2.gz HKSRWFGFUFWSRK-HNNXBMFYSA-N 2 0 343.493 -0.047 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CCCO1 ZINC001200687919 836014756 /nfs/dbraw/zinc/01/47/56/836014756.db2.gz IBYKOTOBBKOGBN-ZBFHGGJFSA-N 2 0 340.468 -0.378 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CCCO1 ZINC001200688209 836015890 /nfs/dbraw/zinc/01/58/90/836015890.db2.gz LUTBGTCCSICDMG-HIFRSBDPSA-N 2 0 326.441 -0.720 20 0 EBADRP CC[C@H]([NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1)C(N)=O ZINC001200705254 836022168 /nfs/dbraw/zinc/02/21/68/836022168.db2.gz WSAHQHRQXYXTGS-GJZGRUSLSA-N 2 0 340.468 -0.058 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CCCO[C@H](C[NH2+]CCOCCO)C1 ZINC001200851334 836047907 /nfs/dbraw/zinc/04/79/07/836047907.db2.gz NRRNYQFBZIESTP-OAHLLOKOSA-N 2 0 345.484 -0.067 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001201246681 836117682 /nfs/dbraw/zinc/11/76/82/836117682.db2.gz UJERGDJVPDCSMB-IHRRRGAJSA-N 2 0 326.441 -0.591 20 0 EBADRP C[NH+](C)CCC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001201333720 836129696 /nfs/dbraw/zinc/12/96/96/836129696.db2.gz BUEVCCPWSVCCQN-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP CN1CCC[C@H]([NH2+]C[C@@H]2CN(C(=O)CC[NH+](C)C)CCCO2)C1=O ZINC001201335030 836130668 /nfs/dbraw/zinc/13/06/68/836130668.db2.gz MMHBSSQUMPNJFB-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1)C(=O)N(C)C ZINC001201334610 836131016 /nfs/dbraw/zinc/13/10/16/836131016.db2.gz KMKIIJJGRHTOLQ-ZIAGYGMSSA-N 2 0 328.457 -0.378 20 0 EBADRP C[C@H]([NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CCCO1)C(N)=O ZINC001201419478 836143647 /nfs/dbraw/zinc/14/36/47/836143647.db2.gz FUAHMDCGTADSKL-KBPBESRZSA-N 2 0 340.468 -0.201 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCCO[C@@H](C[NH2+]C[C@H](O)COC)C1 ZINC001201678312 836174908 /nfs/dbraw/zinc/17/49/08/836174908.db2.gz IHDLVGOBIXVJFK-GJZGRUSLSA-N 2 0 331.457 -0.457 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001201687649 836175740 /nfs/dbraw/zinc/17/57/40/836175740.db2.gz HAUQWKONXZYSQC-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP COCC[NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CCCO1 ZINC001201725299 836183057 /nfs/dbraw/zinc/18/30/57/836183057.db2.gz AKLKKXOHFULCHI-MRXNPFEDSA-N 2 0 343.468 -0.049 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001201811089 836195923 /nfs/dbraw/zinc/19/59/23/836195923.db2.gz VOUXCSCGGYQMRR-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP CC[C@@H]([NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)CCCO1)C(N)=O ZINC001201809222 836196068 /nfs/dbraw/zinc/19/60/68/836196068.db2.gz LAKGUHNQAQPOCC-UONOGXRCSA-N 2 0 328.457 -0.201 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001201864269 836207878 /nfs/dbraw/zinc/20/78/78/836207878.db2.gz VBTZYMISMQQIFM-KGLIPLIRSA-N 2 0 326.441 -0.719 20 0 EBADRP CC[C@H]([NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CCCO1)C(N)=O ZINC001201864475 836208441 /nfs/dbraw/zinc/20/84/41/836208441.db2.gz XVKBCJGMODBNMW-KGLIPLIRSA-N 2 0 344.456 -0.964 20 0 EBADRP CC[C@H]([NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1)C(N)=O ZINC001201871315 836208456 /nfs/dbraw/zinc/20/84/56/836208456.db2.gz IOFCUVWTEKLKKR-KGLIPLIRSA-N 2 0 338.452 -0.447 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201871293 836208616 /nfs/dbraw/zinc/20/86/16/836208616.db2.gz IKTSWIPWAWSUNA-AWEZNQCLSA-N 2 0 338.452 -0.575 20 0 EBADRP CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1)C(N)=O ZINC001201871317 836209161 /nfs/dbraw/zinc/20/91/61/836209161.db2.gz IOFCUVWTEKLKKR-ZIAGYGMSSA-N 2 0 338.452 -0.447 20 0 EBADRP C[C@H]([NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)CCCO1)C(N)=O ZINC001201891090 836211851 /nfs/dbraw/zinc/21/18/51/836211851.db2.gz JIVUFQYHBHWDCJ-KBPBESRZSA-N 2 0 328.457 -0.201 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001201931194 836218237 /nfs/dbraw/zinc/21/82/37/836218237.db2.gz JANWWQZQMDWPGX-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202049129 836243729 /nfs/dbraw/zinc/24/37/29/836243729.db2.gz KYVKSSDRXAOVLS-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCCO[C@H](C[NH2+]CCOCCO)C1 ZINC001202058300 836244553 /nfs/dbraw/zinc/24/45/53/836244553.db2.gz JUXWRXLJHGNEBV-OAHLLOKOSA-N 2 0 329.441 -0.702 20 0 EBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1)C(=O)N(C)C ZINC001202058993 836245480 /nfs/dbraw/zinc/24/54/80/836245480.db2.gz NCUZIXFWSVKFGW-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001202165466 836265602 /nfs/dbraw/zinc/26/56/02/836265602.db2.gz QVDHIYABCVPEJR-CQSZACIVSA-N 2 0 328.457 -0.378 20 0 EBADRP CC[C@@H](C(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1)[NH+](C)C ZINC001202532568 836312301 /nfs/dbraw/zinc/31/23/01/836312301.db2.gz ZWIKOECNWSQSPO-ZDUSSCGKSA-N 2 0 334.486 -0.544 20 0 EBADRP C[C@@H]([NH2+]C1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)CC1)C(N)=O ZINC001202559415 836318100 /nfs/dbraw/zinc/31/81/00/836318100.db2.gz CHVSFCDJGYPIMJ-UONOGXRCSA-N 2 0 340.468 -0.058 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)CC[NH+](C)C)C23CCC3)nc1=O ZINC001203357391 836424721 /nfs/dbraw/zinc/42/47/21/836424721.db2.gz FKJRUNUBSLFZFD-RYUDHWBXSA-N 2 0 336.440 -0.423 20 0 EBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[C@H]([NH2+]CC(N)=O)C23CCC3)CC1 ZINC001203558001 836447454 /nfs/dbraw/zinc/44/74/54/836447454.db2.gz UGBNPBWRCVKSDX-UONOGXRCSA-N 2 0 338.452 -0.401 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001203613873 836452832 /nfs/dbraw/zinc/45/28/32/836452832.db2.gz GIHYDBPHKCIZCF-NWDGAFQWSA-N 2 0 349.435 -0.706 20 0 EBADRP CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)COCC[NH+](C)C)C12CCC2 ZINC001203614068 836453410 /nfs/dbraw/zinc/45/34/10/836453410.db2.gz HPOZGRZCVHYGML-KBPBESRZSA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]([NH2+]CCOCCO)C12CCC2 ZINC001203614789 836453419 /nfs/dbraw/zinc/45/34/19/836453419.db2.gz KYUNWGGRHVNVBV-LSDHHAIUSA-N 2 0 343.468 -0.410 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@@H]([NH2+]CCOCCO)C12CCC2 ZINC001203614786 836453436 /nfs/dbraw/zinc/45/34/36/836453436.db2.gz KYUNWGGRHVNVBV-HUUCEWRRSA-N 2 0 343.468 -0.410 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001203699766 836464187 /nfs/dbraw/zinc/46/41/87/836464187.db2.gz SCNDDPNFXLCGJG-ZBFHGGJFSA-N 2 0 343.468 -0.457 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC([NH2+]CCOCCO)CC1 ZINC001203709180 836465408 /nfs/dbraw/zinc/46/54/08/836465408.db2.gz NKBWEZBXJIMMBQ-OAHLLOKOSA-N 2 0 343.468 -0.456 20 0 EBADRP CC(=O)NCCOCC[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001203709723 836465510 /nfs/dbraw/zinc/46/55/10/836465510.db2.gz XNYHQBMJFMJIJZ-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC(C[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001206873634 836685972 /nfs/dbraw/zinc/68/59/72/836685972.db2.gz GLWNWNAHZYTETO-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001206928721 836716384 /nfs/dbraw/zinc/71/63/84/836716384.db2.gz GSUJADNZYNXKGG-UHFFFAOYSA-N 2 0 346.497 -0.540 20 0 EBADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001206979225 836740769 /nfs/dbraw/zinc/74/07/69/836740769.db2.gz LPYKMDLGQIQYBD-FVQBIDKESA-N 2 0 325.453 -0.226 20 0 EBADRP COCCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001207687670 836845960 /nfs/dbraw/zinc/84/59/60/836845960.db2.gz ICXKHPRFVKAQST-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447466 837043312 /nfs/dbraw/zinc/04/33/12/837043312.db2.gz GJDNXCNTVQFWEA-CHWSQXEVSA-N 2 0 339.440 -0.684 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001209323013 837155407 /nfs/dbraw/zinc/15/54/07/837155407.db2.gz CTTORSHRMAJEDQ-CQSZACIVSA-N 2 0 325.457 -0.066 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001209455611 837168358 /nfs/dbraw/zinc/16/83/58/837168358.db2.gz VTPMZFBWJXNJEQ-KGLIPLIRSA-N 2 0 331.482 -0.047 20 0 EBADRP CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001209474744 837169915 /nfs/dbraw/zinc/16/99/15/837169915.db2.gz KBEUPGBUYKEFNR-DGCLKSJQSA-N 2 0 327.429 -0.652 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001209640992 837184507 /nfs/dbraw/zinc/18/45/07/837184507.db2.gz GKXOANRMYIELLG-KBPBESRZSA-N 2 0 346.497 -0.542 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001210228381 837256419 /nfs/dbraw/zinc/25/64/19/837256419.db2.gz IDLIOGFKUCEFDD-AWEZNQCLSA-N 2 0 325.457 -0.066 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001210221313 837256468 /nfs/dbraw/zinc/25/64/68/837256468.db2.gz ZOFZSCGALBTXSI-AWEZNQCLSA-N 2 0 348.513 -0.200 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001210221330 837256999 /nfs/dbraw/zinc/25/69/99/837256999.db2.gz ZSAMIHZKLAJNOI-STQMWFEESA-N 2 0 341.456 -0.247 20 0 EBADRP C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210298591 837266927 /nfs/dbraw/zinc/26/69/27/837266927.db2.gz PHQBPISEIXGQDY-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP COC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001210338530 837273345 /nfs/dbraw/zinc/27/33/45/837273345.db2.gz FDIIJEZGETXNBW-LSDHHAIUSA-N 2 0 343.468 -0.315 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001210493713 837290643 /nfs/dbraw/zinc/29/06/43/837290643.db2.gz OALKJCWOBCGLGY-NEPJUHHUSA-N 2 0 327.429 -0.508 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2CCNC2=O)C[C@H]1C ZINC001210521641 837293111 /nfs/dbraw/zinc/29/31/11/837293111.db2.gz MEAYESMRRMJRDI-ZIAGYGMSSA-N 2 0 325.457 -0.210 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]C[C@@H](O)COCCOC)C1 ZINC001210811108 837333864 /nfs/dbraw/zinc/33/38/64/837333864.db2.gz JAUGPSJVWFWEMU-JKSUJKDBSA-N 2 0 345.484 -0.067 20 0 EBADRP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211090652 837384261 /nfs/dbraw/zinc/38/42/61/837384261.db2.gz KOXGMDMVVDTNEX-KGLIPLIRSA-N 2 0 326.441 -0.719 20 0 EBADRP CO[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730681 837854412 /nfs/dbraw/zinc/85/44/12/837854412.db2.gz VDFGEKCGEFAVTQ-RBSFLKMASA-N 2 0 329.441 -0.584 20 0 EBADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(CC)CCO2)[C@H](OC)C1 ZINC001213892611 837896224 /nfs/dbraw/zinc/89/62/24/837896224.db2.gz MAUXUOXKSSUUKV-OAGGEKHMSA-N 2 0 343.468 -0.051 20 0 EBADRP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[NH2+]CCNS(C)(=O)=O ZINC001319189719 838084005 /nfs/dbraw/zinc/08/40/05/838084005.db2.gz PLYMSQVGYHUYAI-TZMCWYRMSA-N 2 0 346.497 -0.781 20 0 EBADRP Cc1nc(C)n(CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001320296912 838749549 /nfs/dbraw/zinc/74/95/49/838749549.db2.gz WCDQAAZPCFMZMI-LSDHHAIUSA-N 2 0 338.456 -0.697 20 0 EBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC001321510063 839008011 /nfs/dbraw/zinc/00/80/11/839008011.db2.gz UPGDUCPGRLJDSD-XJKSGUPXSA-N 2 0 342.509 -0.050 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001322240672 839160854 /nfs/dbraw/zinc/16/08/54/839160854.db2.gz HMHWRZRMVPKUCD-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001322442068 839181921 /nfs/dbraw/zinc/18/19/21/839181921.db2.gz IAPMABUVCSBEBT-ZDUSSCGKSA-N 2 0 341.456 -0.246 20 0 EBADRP CCN(CC)C(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001322452384 839183271 /nfs/dbraw/zinc/18/32/71/839183271.db2.gz NXCBHRGXCJNILL-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP CN(CCC[NH2+]CC(=O)NC(N)=O)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001322567055 839204407 /nfs/dbraw/zinc/20/44/07/839204407.db2.gz VMJXTQKEDSTJTO-CHWSQXEVSA-N 2 0 339.440 -0.364 20 0 EBADRP C[N@H+](CC(=O)N[C@H](C[NH2+][C@@H]1CCC(=O)NC1=O)C1CC1)C1CCC1 ZINC001323013769 839322153 /nfs/dbraw/zinc/32/21/53/839322153.db2.gz DXWSNFFUWTVRCB-ZIAGYGMSSA-N 2 0 336.436 -0.240 20 0 EBADRP C[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)CC[NH+](C)C ZINC001324080456 839589665 /nfs/dbraw/zinc/58/96/65/839589665.db2.gz ITBMHDWMWYBOIL-STQMWFEESA-N 2 0 334.486 -0.544 20 0 EBADRP C[C@@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)C[NH+]1CCCC1 ZINC001324098647 839591528 /nfs/dbraw/zinc/59/15/28/839591528.db2.gz SJWGNCKBHCFOMP-KGLIPLIRSA-N 2 0 346.497 -0.400 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]2C[NH2+]CCS(C)(=O)=O)C1 ZINC001324261927 839618731 /nfs/dbraw/zinc/61/87/31/839618731.db2.gz VKTLWKWDWIUNCE-KGLIPLIRSA-N 2 0 331.482 -0.047 20 0 EBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001325336758 839849663 /nfs/dbraw/zinc/84/96/63/839849663.db2.gz BAIVJNYTYDDLED-ZIAGYGMSSA-N 2 0 328.457 -0.426 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@](C)(CO)C1 ZINC001325697546 839913924 /nfs/dbraw/zinc/91/39/24/839913924.db2.gz JONIWAXAIBWKDZ-QGZVFWFLSA-N 2 0 342.484 -0.441 20 0 EBADRP C[NH+](C)CCCCC(=O)N[C@]1(CO)CCCN([C@H]2CCNC2=O)C1 ZINC001325863767 839960974 /nfs/dbraw/zinc/96/09/74/839960974.db2.gz AMOMGSDYTVQKCC-WMLDXEAASA-N 2 0 340.468 -0.450 20 0 EBADRP C[NH+](C)CCCCC(=O)N[C@@]1(CO)CCCN([C@@H]2CCNC2=O)C1 ZINC001325863762 839961826 /nfs/dbraw/zinc/96/18/26/839961826.db2.gz AMOMGSDYTVQKCC-PBHICJAKSA-N 2 0 340.468 -0.450 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCO[C@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001327049559 840286912 /nfs/dbraw/zinc/28/69/12/840286912.db2.gz SKRFOQCJWGWTNX-CYBMUJFWSA-N 2 0 335.470 -0.810 20 0 EBADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC001327486187 840433384 /nfs/dbraw/zinc/43/33/84/840433384.db2.gz MJSSCGXWEIYNNG-AWEZNQCLSA-N 2 0 338.452 -0.528 20 0 EBADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001327487386 840434603 /nfs/dbraw/zinc/43/46/03/840434603.db2.gz UYQTXCWIUSEKCT-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC(O)(C[NH2+]CCn2cncn2)CC1 ZINC001328206228 840619913 /nfs/dbraw/zinc/61/99/13/840619913.db2.gz TTZBAVSUXGLSHM-UHFFFAOYSA-N 2 0 338.456 -0.437 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@](O)(C2CC2)C1 ZINC001328386747 840668680 /nfs/dbraw/zinc/66/86/80/840668680.db2.gz STEANGOCFCZKDW-QGZVFWFLSA-N 2 0 340.468 -0.688 20 0 EBADRP COCCOCC[NH+]1CCC(CO)(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001328542682 840700334 /nfs/dbraw/zinc/70/03/34/840700334.db2.gz RUJKXYYETDLOPI-OAHLLOKOSA-N 2 0 343.468 -0.313 20 0 EBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001328731933 840736794 /nfs/dbraw/zinc/73/67/94/840736794.db2.gz GKFLPXFJWNTBEX-MGPQQGTHSA-N 2 0 326.441 -0.530 20 0 EBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001328731930 840737184 /nfs/dbraw/zinc/73/71/84/840737184.db2.gz GKFLPXFJWNTBEX-MELADBBJSA-N 2 0 326.441 -0.530 20 0 EBADRP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001329051512 840826019 /nfs/dbraw/zinc/82/60/19/840826019.db2.gz CBGNSXVQJHYIOJ-NWDGAFQWSA-N 2 0 339.440 -0.495 20 0 EBADRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)CCN1C(=O)CNC1=O ZINC001329460203 840928516 /nfs/dbraw/zinc/92/85/16/840928516.db2.gz OPZJTVCQAXCARE-GFCCVEGCSA-N 2 0 339.440 -0.541 20 0 EBADRP C[C@@H](CNC(=O)CCCC[NH+](C)C)[N@H+](C)[C@H]1CCC(=O)NC1=O ZINC001329592758 840961065 /nfs/dbraw/zinc/96/10/65/840961065.db2.gz UAQRQUYUQSWHNK-STQMWFEESA-N 2 0 326.441 -0.040 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001330532817 841230985 /nfs/dbraw/zinc/23/09/85/841230985.db2.gz SLTIWTVXLGVESH-SGMGOOAPSA-N 2 0 326.441 -0.402 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001330543096 841233366 /nfs/dbraw/zinc/23/33/66/841233366.db2.gz FZTKCGZFLLOCDY-ZDUSSCGKSA-N 2 0 326.441 -0.448 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001330568291 841237840 /nfs/dbraw/zinc/23/78/40/841237840.db2.gz SAIFIFHYKSQHGX-KGLIPLIRSA-N 2 0 337.468 -0.827 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC001330746923 841266123 /nfs/dbraw/zinc/26/61/23/841266123.db2.gz NRMOYUQAWMTFIP-OKILXGFUSA-N 2 0 326.441 -0.957 20 0 EBADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001331550767 841425635 /nfs/dbraw/zinc/42/56/35/841425635.db2.gz JHSCKMGFFPIKLL-JYJNAYRXSA-N 2 0 330.432 -0.152 20 0 EBADRP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC001331618931 841440874 /nfs/dbraw/zinc/44/08/74/841440874.db2.gz YKBMAQXBRPKLPQ-KBPBESRZSA-N 2 0 326.441 -0.399 20 0 EBADRP CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCN1CCOC ZINC001331665587 841454025 /nfs/dbraw/zinc/45/40/25/841454025.db2.gz BCSZSZHGSZEAFS-KKUMJFAQSA-N 2 0 340.468 -0.201 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCOCC(F)(F)F ZINC001331687007 841459399 /nfs/dbraw/zinc/45/93/99/841459399.db2.gz YGLPRGXXDLLJLC-MNOVXSKESA-N 2 0 327.347 -0.274 20 0 EBADRP C[NH+]1CCC(n2cc(NC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)cn2)CC1 ZINC001332119670 841577531 /nfs/dbraw/zinc/57/75/31/841577531.db2.gz JJXOYHAOEUGFSX-LBPRGKRZSA-N 2 0 334.424 -0.044 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C(C)(C)C1 ZINC001332412898 841636406 /nfs/dbraw/zinc/63/64/06/841636406.db2.gz JGONKDCPZAMJKG-ZDUSSCGKSA-N 2 0 338.452 -0.086 20 0 EBADRP CN(C[C@H](O)C[NH2+]CCNC(=O)C1CC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001332531216 841663719 /nfs/dbraw/zinc/66/37/19/841663719.db2.gz ZVFHOIIHHHKNRM-CABCVRRESA-N 2 0 340.468 -0.594 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CCCN1CCCC1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001332606504 841687539 /nfs/dbraw/zinc/68/75/39/841687539.db2.gz NUGSVXCTJHTZQP-CABCVRRESA-N 2 0 340.468 -0.641 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C[C@H]1C(F)(F)F ZINC001333407188 841869131 /nfs/dbraw/zinc/86/91/31/841869131.db2.gz ZUSMUHXOWBOMMW-JFGNBEQYSA-N 2 0 348.369 -0.065 20 0 EBADRP CC1(C)CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC[NH2+]1 ZINC001334788031 842131712 /nfs/dbraw/zinc/13/17/12/842131712.db2.gz MVXZACPFRGQYER-ZIAGYGMSSA-N 2 0 338.452 -0.746 20 0 EBADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC001334788624 842131764 /nfs/dbraw/zinc/13/17/64/842131764.db2.gz QLSDYJMXMMIQEG-SOUVJXGZSA-N 2 0 338.452 -0.888 20 0 EBADRP C[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC001335206836 842226043 /nfs/dbraw/zinc/22/60/43/842226043.db2.gz HAFVRDVGZOQJFL-MRXNPFEDSA-N 2 0 326.441 -0.853 20 0 EBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCCOCCC[NH3+])C[C@H]2C1 ZINC001335793783 842355564 /nfs/dbraw/zinc/35/55/64/842355564.db2.gz CLCQUPFLEFJJSM-RBSFLKMASA-N 2 0 340.468 -0.343 20 0 EBADRP C[N@@H+]1CCN(CC[NH2+]C[C@H](O)CC2(O)CCOCC2)CC1(C)C ZINC001335844185 842363352 /nfs/dbraw/zinc/36/33/52/842363352.db2.gz OWXRITFNASGBHJ-OAHLLOKOSA-N 2 0 329.485 -0.106 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC001335929887 842374227 /nfs/dbraw/zinc/37/42/27/842374227.db2.gz PPBYNGIQLMZDLT-UHFFFAOYSA-N 2 0 340.516 -0.265 20 0 EBADRP CC1(C)CN(C(=O)C(=O)N[C@@H]2CCCN3CCSC[C@@H]23)CC[NH2+]1 ZINC001336669917 842532217 /nfs/dbraw/zinc/53/22/17/842532217.db2.gz DRKKWXPNMMLAPG-OLZOCXBDSA-N 2 0 340.493 -0.107 20 0 EBADRP [NH3+]C1CCN(CCNC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001336672592 842533444 /nfs/dbraw/zinc/53/34/44/842533444.db2.gz VPGRBDSPSMCLDC-HNNXBMFYSA-N 2 0 337.468 -0.778 20 0 EBADRP OC[C@@H]1CCC[NH+](C/C=C\C[N@H+]2CCC[C@@H](CO)[C@H]2CO)[C@@H]1CO ZINC001336796405 842542450 /nfs/dbraw/zinc/54/24/50/842542450.db2.gz FECVAXULBFAQMA-BSQWGWPVSA-N 2 0 342.480 -0.327 20 0 EBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C(=O)NCCOCC[NH+](C)C)C2 ZINC001336879120 842554988 /nfs/dbraw/zinc/55/49/88/842554988.db2.gz JLIUCGWLYAYEEZ-ZENOOKHLSA-N 2 0 342.440 -0.514 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C)cn1 ZINC001338022694 842735530 /nfs/dbraw/zinc/73/55/30/842735530.db2.gz GADQZUHYRRSHDC-CQSZACIVSA-N 2 0 336.440 -0.016 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)N2CCNCC[NH2+]CC2)CC1 ZINC001338534920 842824540 /nfs/dbraw/zinc/82/45/40/842824540.db2.gz PNQMANIKCQJZKU-UHFFFAOYSA-N 2 0 326.489 -0.782 20 0 EBADRP CN1CC[NH2+]C[C@@H]1C(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001340118198 842973161 /nfs/dbraw/zinc/97/31/61/842973161.db2.gz GNLXOQMKDNCDCV-GOSISDBHSA-N 2 0 345.491 -0.046 20 0 EBADRP O=C(NCC[NH2+]CCNC(=O)C12CC[NH+](CC1)C2)C12CC[NH+](CC1)C2 ZINC001341734989 843109223 /nfs/dbraw/zinc/10/92/23/843109223.db2.gz WBULISYVDYIZFI-UHFFFAOYSA-N 3 0 349.479 -1.000 20 0 EBADRP C[S@@](=O)C1(C(=O)NCCCCCN2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001342679633 843173839 /nfs/dbraw/zinc/17/38/39/843173839.db2.gz SHVAPRILIOXISP-HSZRJFAPSA-N 2 0 344.525 -0.321 20 0 EBADRP O=C(NCCC[NH+]1CCCCC1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001343355915 843227216 /nfs/dbraw/zinc/22/72/16/843227216.db2.gz IKNSISLDUJEPGH-ZFWWWQNUSA-N 2 0 329.466 -0.387 20 0 EBADRP [NH3+]CCN1CCC[C@@H](C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC001343438656 843236383 /nfs/dbraw/zinc/23/63/83/843236383.db2.gz ICDQMUVJHUJQCV-HUUCEWRRSA-N 2 0 338.452 -0.636 20 0 EBADRP C[NH+]1CCN(CCCNC(=O)c2cnn3cc(CC[NH3+])cnc23)CC1 ZINC001343444148 843236904 /nfs/dbraw/zinc/23/69/04/843236904.db2.gz FFHDZMNZAVTJEL-UHFFFAOYSA-N 2 0 345.451 -0.402 20 0 EBADRP [NH3+]CCNCC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC001343454804 843238214 /nfs/dbraw/zinc/23/82/14/843238214.db2.gz YDTZFSLWNVJHQO-UHFFFAOYSA-N 2 0 333.480 -0.141 20 0 EBADRP COCCOCCN1CC[NH+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC001346143268 843480810 /nfs/dbraw/zinc/48/08/10/843480810.db2.gz ZISZOHMIZIXZDH-INIZCTEOSA-N 2 0 342.484 -0.536 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)N[C@H](C)[C@H]1C[NH+](C)CCN1C ZINC001346229288 843489665 /nfs/dbraw/zinc/48/96/65/843489665.db2.gz PGIYMBUJHBLZBH-HUUCEWRRSA-N 2 0 329.489 -0.112 20 0 EBADRP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001347037854 843580967 /nfs/dbraw/zinc/58/09/67/843580967.db2.gz MNJNKLNQPZGJSI-HNNXBMFYSA-N 2 0 340.468 -0.424 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001347090685 843591341 /nfs/dbraw/zinc/59/13/41/843591341.db2.gz KXTJTFDOIKXSNC-CYBMUJFWSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@H](CNC(=O)NCCN(C)CCC[NH+](C)C)N1CC[NH+](C)CC1 ZINC001347101283 843592496 /nfs/dbraw/zinc/59/24/96/843592496.db2.gz AVSJZZWVRWPQLZ-MRXNPFEDSA-N 2 0 342.532 -0.195 20 0 EBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C1 ZINC001347150263 843594986 /nfs/dbraw/zinc/59/49/86/843594986.db2.gz VPRBOKOGSGKFHB-QWHCGFSZSA-N 2 0 348.451 -0.196 20 0 EBADRP O=C(NCC1=CC[NH2+]CC1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001348305105 843680192 /nfs/dbraw/zinc/68/01/92/843680192.db2.gz BWDOAURDSIODPK-CABCVRRESA-N 2 0 349.435 -0.127 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001348319453 843681951 /nfs/dbraw/zinc/68/19/51/843681951.db2.gz FYFJSEWENREACS-JSGCOSHPSA-N 2 0 326.441 -0.448 20 0 EBADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC001348334459 843684384 /nfs/dbraw/zinc/68/43/84/843684384.db2.gz YHUYRJAXUCQOQR-CYBMUJFWSA-N 2 0 326.441 -0.541 20 0 EBADRP CC(C)[C@@H](C(=O)NCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)[NH+](C)C ZINC001349430996 843903183 /nfs/dbraw/zinc/90/31/83/843903183.db2.gz MKDHIJKHOJNHMJ-CABCVRRESA-N 2 0 342.484 -0.086 20 0 EBADRP CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC001349982376 843955396 /nfs/dbraw/zinc/95/53/96/843955396.db2.gz KMLRASZQYVLGGU-LLVKDONJSA-N 2 0 332.395 -0.052 20 0 EBADRP Cn1cncc1CCC(=O)NC[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001691168339 1125839992 /nfs/dbraw/zinc/83/99/92/1125839992.db2.gz HNPMHHVIAZUMFO-JSGCOSHPSA-N 2 0 347.419 -0.404 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1nc(C[NH2+]CCO)cc(=O)[nH]1 ZINC001691424826 1125860195 /nfs/dbraw/zinc/86/01/95/1125860195.db2.gz YXXCXDRKTYKWKE-CYBMUJFWSA-N 2 0 337.424 -0.245 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001691476554 1125884203 /nfs/dbraw/zinc/88/42/03/1125884203.db2.gz LSWNVHFWDOXAER-LBPRGKRZSA-N 2 0 339.440 -0.636 20 0 EBADRP CC[N@H+](CCNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)C[C@H](C)O ZINC001480990352 1125904642 /nfs/dbraw/zinc/90/46/42/1125904642.db2.gz MEZQXWLKDVPRAW-XHSDSOJGSA-N 2 0 343.468 -0.315 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1CCCN1CC(=O)NC[C@H]1CCOC1 ZINC001481056507 1125914762 /nfs/dbraw/zinc/91/47/62/1125914762.db2.gz QKWMXZITONSKFN-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP Cn1ccnc1CCC(=O)NC[C@H]1CCC[N@@H+]1CCN1CCNC1=O ZINC001481048665 1125913514 /nfs/dbraw/zinc/91/35/14/1125913514.db2.gz AXPNALBKYQWGER-CQSZACIVSA-N 2 0 348.451 -0.042 20 0 EBADRP C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)CCO1 ZINC001481109582 1125923578 /nfs/dbraw/zinc/92/35/78/1125923578.db2.gz SJAGLMLULWHCJD-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001481238302 1125949998 /nfs/dbraw/zinc/94/99/98/1125949998.db2.gz PIXPJOYDGMYRRP-QWHCGFSZSA-N 2 0 341.456 -0.247 20 0 EBADRP CN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)C[N@H+](C)C1CCC1 ZINC001481240505 1125950494 /nfs/dbraw/zinc/95/04/94/1125950494.db2.gz MKCQWHQYFOLZEB-UHFFFAOYSA-N 2 0 325.413 -0.930 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001481240524 1125950531 /nfs/dbraw/zinc/95/05/31/1125950531.db2.gz NCXKVFQQRFONQJ-UHFFFAOYSA-N 2 0 327.429 -0.636 20 0 EBADRP CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001481318096 1125972749 /nfs/dbraw/zinc/97/27/49/1125972749.db2.gz RSWGIVWZQAQHSH-UHFFFAOYSA-N 2 0 335.408 -0.395 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1CC[NH+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001481458453 1125993990 /nfs/dbraw/zinc/99/39/90/1125993990.db2.gz WDANZEBVVUKRQW-CHWSQXEVSA-N 2 0 341.456 -0.260 20 0 EBADRP C[C@H](C(=O)N(C)CC[NH2+]CCNS(C)(=O)=O)[NH+]1CCCCCC1 ZINC001691500256 1126030460 /nfs/dbraw/zinc/03/04/60/1126030460.db2.gz LIPRMQGYTKIDSL-CQSZACIVSA-N 2 0 348.513 -0.152 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCC2C[NH+](CCn3cncn3)C2)CC1 ZINC001481651590 1126031815 /nfs/dbraw/zinc/03/18/15/1126031815.db2.gz CAXCNNWJMTYSMJ-UHFFFAOYSA-N 2 0 336.440 -0.563 20 0 EBADRP CC[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001481880479 1126064057 /nfs/dbraw/zinc/06/40/57/1126064057.db2.gz FMMWJGWMSPLBPT-CHWSQXEVSA-N 2 0 341.456 -0.070 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482159212 1126088558 /nfs/dbraw/zinc/08/85/58/1126088558.db2.gz NEFKFEPNEADHIJ-QWHCGFSZSA-N 2 0 341.456 -0.484 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001482168439 1126090151 /nfs/dbraw/zinc/09/01/51/1126090151.db2.gz NIPKWTDKYPDABD-VXGBXAGGSA-N 2 0 327.429 -0.732 20 0 EBADRP C[C@@H](C[NH2+]CCCS(=O)(=O)N(C)C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001482268709 1126115678 /nfs/dbraw/zinc/11/56/78/1126115678.db2.gz ZXZPYNNZOCHZFP-KBPBESRZSA-N 2 0 348.513 -0.201 20 0 EBADRP C[C@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482283746 1126118855 /nfs/dbraw/zinc/11/88/55/1126118855.db2.gz PRLDWZBLILVVDI-TZMCWYRMSA-N 2 0 346.497 -0.686 20 0 EBADRP CCN1CCO[C@@H](C(=O)N[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001409022148 1126156006 /nfs/dbraw/zinc/15/60/06/1126156006.db2.gz DCFJHMABHVJQQC-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[N@H+](C)CCC(=O)NC1CN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001409108127 1126203817 /nfs/dbraw/zinc/20/38/17/1126203817.db2.gz GEMQPTTYXJDOLH-OAHLLOKOSA-N 2 0 340.468 -0.236 20 0 EBADRP O=C(C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@H]21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001648979876 1126222469 /nfs/dbraw/zinc/22/24/69/1126222469.db2.gz NYJUCPKBYHRJSC-DGTMBMJNSA-N 2 0 327.450 -0.638 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CC[N@H+](C)CCn1cncn1 ZINC001482649959 1126245439 /nfs/dbraw/zinc/24/54/39/1126245439.db2.gz PDOSUCRXTWIGLO-OAHLLOKOSA-N 2 0 338.456 -0.363 20 0 EBADRP Cn1nnc2cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]3CCC[N@@H+]3C)ccc21 ZINC001482715359 1126256125 /nfs/dbraw/zinc/25/61/25/1126256125.db2.gz GEONDLSFODUMIH-BBRMVZONSA-N 2 0 346.435 -0.371 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001358623733 1131234592 /nfs/dbraw/zinc/23/45/92/1131234592.db2.gz KOBFGJPVVQKNLR-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@H]([NH2+]C[C@@H](O)CNC(=O)C1(C[NH+](C)C)CC1)C(=O)NC(C)(C)C ZINC001482761847 1126280195 /nfs/dbraw/zinc/28/01/95/1126280195.db2.gz HXPZJULDJNBWAU-QWHCGFSZSA-N 2 0 342.484 -0.302 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](O)C[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001482785430 1126290328 /nfs/dbraw/zinc/29/03/28/1126290328.db2.gz IYCLMIXBUNOCSI-QWHCGFSZSA-N 2 0 328.457 -0.690 20 0 EBADRP CC[C@@H](C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001482787876 1126291119 /nfs/dbraw/zinc/29/11/19/1126291119.db2.gz XJHOUTIARHCRAC-CHWSQXEVSA-N 2 0 326.441 -0.936 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCCCCC2)C1 ZINC001482790372 1126292180 /nfs/dbraw/zinc/29/21/80/1126292180.db2.gz AXRRINAQNZNIQV-CABCVRRESA-N 2 0 340.468 -0.593 20 0 EBADRP C[C@@H](CC[NH2+]CCN1C(=O)CNC1=O)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482887932 1126299916 /nfs/dbraw/zinc/29/99/16/1126299916.db2.gz GGZSVYYCBIYDRT-QWHCGFSZSA-N 2 0 339.440 -0.636 20 0 EBADRP C[C@H](CC[NH2+]Cc1ncnn1CCF)NC(=O)[C@H]1CN(C)CCO1 ZINC001482822190 1126296370 /nfs/dbraw/zinc/29/63/70/1126296370.db2.gz UKVVVKOVVOMVAZ-CHWSQXEVSA-N 2 0 342.419 -0.437 20 0 EBADRP C[C@@H](CC[NH2+]Cc1ncnn1CCF)NC(=O)[C@H]1CN(C)CCO1 ZINC001482822194 1126296391 /nfs/dbraw/zinc/29/63/91/1126296391.db2.gz UKVVVKOVVOMVAZ-QWHCGFSZSA-N 2 0 342.419 -0.437 20 0 EBADRP CC(C)(C(=O)NC/C=C\C[NH2+][C@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001483043985 1126318573 /nfs/dbraw/zinc/31/85/73/1126318573.db2.gz YSIZOKGTKUCUFS-SCOBNMCVSA-N 2 0 336.436 -0.072 20 0 EBADRP C[C@H]([NH2+]C/C=C/CNC(=O)C(C)(C)C[NH+]1CCOCC1)C(N)=O ZINC001483024708 1126314587 /nfs/dbraw/zinc/31/45/87/1126314587.db2.gz XJVVFUOJLDBQIR-IHVVCDCBSA-N 2 0 326.441 -0.519 20 0 EBADRP O=C(NC/C=C/C[NH2+][C@@H]1CCC(=O)NC1=O)C12CCC[NH+](CCC1)C2 ZINC001483025417 1126314670 /nfs/dbraw/zinc/31/46/70/1126314670.db2.gz WMIUSXKVDWJQMB-VSZDKKFSSA-N 2 0 348.447 -0.070 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001691555822 1126321316 /nfs/dbraw/zinc/32/13/16/1126321316.db2.gz KUSIRZNBCGRSQG-QWHCGFSZSA-N 2 0 341.456 -0.390 20 0 EBADRP CNC(=O)[C@@H](C)[N@H+](C)CCOCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001691593974 1126323496 /nfs/dbraw/zinc/32/34/96/1126323496.db2.gz UQQFRAJKFFHIEW-ZIAGYGMSSA-N 2 0 328.457 -0.378 20 0 EBADRP C[C@@H](C[NH2+]CCCN1C(=O)CNC1=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483228105 1126355790 /nfs/dbraw/zinc/35/57/90/1126355790.db2.gz ILAGFUKYWZTNOQ-YNEHKIRRSA-N 2 0 339.440 -0.637 20 0 EBADRP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001409619570 1126384242 /nfs/dbraw/zinc/38/42/42/1126384242.db2.gz FGOJLPGQWYJBSS-VXGBXAGGSA-N 2 0 341.456 -0.249 20 0 EBADRP C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)NC(=O)C[NH+]1CCC(C)CC1 ZINC001483278439 1126413160 /nfs/dbraw/zinc/41/31/60/1126413160.db2.gz FNCUGHJPONWGAD-ZDUSSCGKSA-N 2 0 339.440 -0.636 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)Nc1cnccn1)NC(=O)C12CC[NH+](CC1)C2 ZINC001483285000 1126413595 /nfs/dbraw/zinc/41/35/95/1126413595.db2.gz XLOXOSQLSIIAQB-LBPRGKRZSA-N 2 0 332.408 -0.395 20 0 EBADRP CCCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001483458201 1126428809 /nfs/dbraw/zinc/42/88/09/1126428809.db2.gz YUDBLWGQDDOIQM-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]CCN(C)S(C)(=O)=O)CC[N@@H+]1C ZINC001483466174 1126429136 /nfs/dbraw/zinc/42/91/36/1126429136.db2.gz ABHFQTYGBJUIOO-ZIAGYGMSSA-N 2 0 348.513 -0.344 20 0 EBADRP C[C@H]([NH2+]C[C@@H](NC(=O)COC1CC[NH+](C)CC1)C1CC1)C(N)=O ZINC001483597045 1126438946 /nfs/dbraw/zinc/43/89/46/1126438946.db2.gz UJUCMRIKSGRTQZ-SMDDNHRTSA-N 2 0 326.441 -0.545 20 0 EBADRP O=C(N[C@H](C[NH2+]CCN1C(=O)CNC1=O)C1CC1)C12CC[NH+](CC1)C2 ZINC001483603017 1126439245 /nfs/dbraw/zinc/43/92/45/1126439245.db2.gz XRQFHDVXUMVFKP-CYBMUJFWSA-N 2 0 349.435 -0.882 20 0 EBADRP CS(=O)(=O)CC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001483735614 1126465559 /nfs/dbraw/zinc/46/55/59/1126465559.db2.gz TZYYHYVPJAVMIC-ZDUSSCGKSA-N 2 0 329.466 -0.389 20 0 EBADRP CC[C@H](C(=O)NCC1([NH2+]C[C@@H]2CCS(=O)(=O)C2)CC1)[NH+](C)C ZINC001483746199 1126468382 /nfs/dbraw/zinc/46/83/82/1126468382.db2.gz KJDOCWKIVGZKKI-QWHCGFSZSA-N 2 0 331.482 0.000 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001483955402 1126493169 /nfs/dbraw/zinc/49/31/69/1126493169.db2.gz HJQVPPSOFMQSFJ-KGLIPLIRSA-N 2 0 336.436 -0.332 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(N)=O)CCOCC1 ZINC001484181882 1126512282 /nfs/dbraw/zinc/51/22/82/1126512282.db2.gz LCARMBYLWAPOME-CYBMUJFWSA-N 2 0 326.441 -0.401 20 0 EBADRP CN1CC[C@H]([N@@H+]2CC[C@](O)(CNC(=O)C3([NH+](C)C)CCC3)C2)C1=O ZINC001484222077 1126524711 /nfs/dbraw/zinc/52/47/11/1126524711.db2.gz BMCVXBUIGODITR-BBRMVZONSA-N 2 0 338.452 -0.746 20 0 EBADRP CN1CC[C@H]([N@@H+]2CC[C@@](O)(CNC(=O)C3([NH+](C)C)CCC3)C2)C1=O ZINC001484222082 1126524861 /nfs/dbraw/zinc/52/48/61/1126524861.db2.gz BMCVXBUIGODITR-XJKSGUPXSA-N 2 0 338.452 -0.746 20 0 EBADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001484228152 1126531123 /nfs/dbraw/zinc/53/11/23/1126531123.db2.gz CKBGABXTWUNMHS-GUYCJALGSA-N 2 0 340.468 -0.322 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CCOCC(F)F)C1 ZINC001484229666 1126532323 /nfs/dbraw/zinc/53/23/23/1126532323.db2.gz MYFKCSQFWPBTMM-DOMZBBRYSA-N 2 0 335.395 -0.085 20 0 EBADRP C[NH+](C)CCc1ccc(C(=O)NC[C@]2(O)CC[N@H+](CCO)C2)cc1 ZINC001484234481 1126534100 /nfs/dbraw/zinc/53/41/00/1126534100.db2.gz CCPAABLUXIWKTI-GOSISDBHSA-N 2 0 335.448 -0.050 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[N@H+](CCOCCO)C[C@@H]2C1 ZINC001484407204 1126568313 /nfs/dbraw/zinc/56/83/13/1126568313.db2.gz RMZODVMWELTSJH-BBWFWOEESA-N 2 0 337.464 -0.273 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001484378588 1126566457 /nfs/dbraw/zinc/56/64/57/1126566457.db2.gz YWTXMHLHOOJHNY-OLZOCXBDSA-N 2 0 339.440 -0.826 20 0 EBADRP CN(CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1)S(C)(=O)=O ZINC001484662224 1126614960 /nfs/dbraw/zinc/61/49/60/1126614960.db2.gz CMDAOZINDYGZAE-ZDUSSCGKSA-N 2 0 346.497 -0.542 20 0 EBADRP CC[C@H](C(=O)N1CCO[C@H](C[NH2+]CCN2CCNC2=O)C1)[NH+](C)C ZINC001484680602 1126616092 /nfs/dbraw/zinc/61/60/92/1126616092.db2.gz OIFFOEBCYPLJQE-ZIAGYGMSSA-N 2 0 341.456 -0.831 20 0 EBADRP CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]CCS(C)(=O)=O)C1)[NH+](C)C ZINC001484695489 1126624438 /nfs/dbraw/zinc/62/44/38/1126624438.db2.gz DVMWSXHXCRFXDR-OLZOCXBDSA-N 2 0 335.470 -0.812 20 0 EBADRP Cn1nccc1C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001484836092 1126640690 /nfs/dbraw/zinc/64/06/90/1126640690.db2.gz MQKFBBOGLWWIIG-DOTOQJQBSA-N 2 0 335.452 -0.043 20 0 EBADRP CCN(C)C(=O)C[NH2+][C@]1(CO)CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001484852699 1126642898 /nfs/dbraw/zinc/64/28/98/1126642898.db2.gz CVQKICSBWJRTBM-QGZVFWFLSA-N 2 0 340.468 -0.496 20 0 EBADRP Cn1cnnc1C[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001484872213 1126647966 /nfs/dbraw/zinc/64/79/66/1126647966.db2.gz WERNKYOXHUFDGR-ZDUSSCGKSA-N 2 0 336.440 -0.478 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(C)([NH2+]CCN3CCNC3=O)CC2)C1 ZINC001484927824 1126653009 /nfs/dbraw/zinc/65/30/09/1126653009.db2.gz WEDWDYKAEGOFMK-AWEZNQCLSA-N 2 0 337.468 -0.066 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(O)(C[NH2+]C[C@@H]3CCOC3)CC2)C1 ZINC001484964337 1126657194 /nfs/dbraw/zinc/65/71/94/1126657194.db2.gz IDIYNZVLUJVULC-LSDHHAIUSA-N 2 0 325.453 -0.082 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+][C@H](C)C(N)=O)CC1 ZINC001484953630 1126657980 /nfs/dbraw/zinc/65/79/80/1126657980.db2.gz WQODOZDGVGMQIV-ZIAGYGMSSA-N 2 0 340.468 -0.324 20 0 EBADRP CCNC(=O)C[NH2+]CC1(O)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001484959452 1126659092 /nfs/dbraw/zinc/65/90/92/1126659092.db2.gz PNFUFBZUIWUIAM-UHFFFAOYSA-N 2 0 340.468 -0.593 20 0 EBADRP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001485226706 1126682358 /nfs/dbraw/zinc/68/23/58/1126682358.db2.gz NJJYFLQMXJWHSP-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP CC(=O)NCCOCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001485536702 1126748088 /nfs/dbraw/zinc/74/80/88/1126748088.db2.gz WINPVTVBSWXAAN-UKRRQHHQSA-N 2 0 340.468 -0.473 20 0 EBADRP COC[C@]1(C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C[NH2+]CCO1 ZINC001649086918 1126869344 /nfs/dbraw/zinc/86/93/44/1126869344.db2.gz OYRLATGZWXVYRJ-CJNGLKHVSA-N 2 0 327.425 -0.652 20 0 EBADRP COC[C@@H](O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001485833939 1126889071 /nfs/dbraw/zinc/88/90/71/1126889071.db2.gz XNFMHENEDYKKHS-LSDHHAIUSA-N 2 0 325.453 -0.084 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001485929587 1126922493 /nfs/dbraw/zinc/92/24/93/1126922493.db2.gz ADNPFMZHQCYHHZ-GFCCVEGCSA-N 2 0 341.456 -0.390 20 0 EBADRP C[NH+]1CCC(OCC(=O)NC[C@H](CO)[NH2+]C[C@H]2CCOC2)CC1 ZINC001486047288 1126994968 /nfs/dbraw/zinc/99/49/68/1126994968.db2.gz HNCNIRDZKFVQHW-ZIAGYGMSSA-N 2 0 329.441 -0.800 20 0 EBADRP COc1cc(C[NH2+][C@H](CO)CNC(=O)C[N@@H+]2CC[C@@H](C)C2)ccn1 ZINC001486034871 1127004710 /nfs/dbraw/zinc/00/47/10/1127004710.db2.gz VQQFMFAFEHEYNC-HIFRSBDPSA-N 2 0 336.436 -0.001 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001486066823 1127016049 /nfs/dbraw/zinc/01/60/49/1127016049.db2.gz UGQPEVDNASXQMJ-UKRRQHHQSA-N 2 0 340.468 -0.453 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCN(C)S(C)(=O)=O)[C@H]1C ZINC001486092224 1127031331 /nfs/dbraw/zinc/03/13/31/1127031331.db2.gz MTBHURYIGDSNFM-KGLIPLIRSA-N 2 0 348.513 -0.201 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@H]1C ZINC001486093759 1127031503 /nfs/dbraw/zinc/03/15/03/1127031503.db2.gz ZVZZSAFCFNOSKR-NEPJUHHUSA-N 2 0 327.429 -0.508 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001486127103 1127049382 /nfs/dbraw/zinc/04/93/82/1127049382.db2.gz HKALKHBPZHDYQC-STQMWFEESA-N 2 0 339.440 -0.493 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(=O)NC(N)=O)C(C)(C)C1 ZINC001486247209 1127066457 /nfs/dbraw/zinc/06/64/57/1127066457.db2.gz AANBWONPBOAXMM-NSHDSACASA-N 2 0 327.429 -0.650 20 0 EBADRP Cc1ncc(C[NH2+]C[C@@H](O)CN(C)C(=O)C23CC[NH+](CC2)C3)cn1 ZINC001486311457 1127124137 /nfs/dbraw/zinc/12/41/37/1127124137.db2.gz IWEUCSQYYCHHGT-OAHLLOKOSA-N 2 0 333.436 -0.210 20 0 EBADRP CN(CC[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1)S(C)(=O)=O ZINC001486475839 1127182785 /nfs/dbraw/zinc/18/27/85/1127182785.db2.gz ZBFDRPOVKFHXMH-UHFFFAOYSA-N 2 0 334.486 -0.592 20 0 EBADRP CN1CC[C@H]([N@H+]2C[C@@H]3[C@@H](CNC(=O)C4([NH+](C)C)CCC4)[C@@H]3C2)C1=O ZINC001410077611 1127543753 /nfs/dbraw/zinc/54/37/53/1127543753.db2.gz PTNXGFAGFMUDAX-XQLPTFJDSA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@@H]([NH2+]CC(N)=O)[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC001410144213 1127607287 /nfs/dbraw/zinc/60/72/87/1127607287.db2.gz KBXZIDGYIUGLSK-ZIAGYGMSSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@@H]([NH2+]CCO)[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CCO1 ZINC001410164029 1127622765 /nfs/dbraw/zinc/62/27/65/1127622765.db2.gz XUEUMZCPOJENJH-HIFRSBDPSA-N 2 0 339.440 -0.744 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001410432638 1127713191 /nfs/dbraw/zinc/71/31/91/1127713191.db2.gz IIRSSHALRILRFP-OLZOCXBDSA-N 2 0 343.472 -0.003 20 0 EBADRP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N1CCOCC1 ZINC001410505206 1127730706 /nfs/dbraw/zinc/73/07/06/1127730706.db2.gz NFUAQJJMKSRPKI-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(C(N)=O)cc2)CCC1 ZINC001410645045 1127787348 /nfs/dbraw/zinc/78/73/48/1127787348.db2.gz DALIMKGOMQUMTE-OAHLLOKOSA-N 2 0 348.447 -0.164 20 0 EBADRP Cn1nccc1CC[NH2+][C@@H](CO)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001410709045 1127832027 /nfs/dbraw/zinc/83/20/27/1127832027.db2.gz QSLWKLAEQIAXCZ-CQSZACIVSA-N 2 0 337.468 -0.096 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001410736874 1127851840 /nfs/dbraw/zinc/85/18/40/1127851840.db2.gz VOQATIIEXSMLSA-SOUVJXGZSA-N 2 0 342.484 -0.350 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H](CO)[NH2+]Cc1cccnc1 ZINC001410778295 1127881841 /nfs/dbraw/zinc/88/18/41/1127881841.db2.gz CONICDKFGONEEI-GOEBONIOSA-N 2 0 336.436 -0.383 20 0 EBADRP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)C(C)(C)C1 ZINC001410984585 1127960869 /nfs/dbraw/zinc/96/08/69/1127960869.db2.gz MQSLAAVVEQZDEE-LLVKDONJSA-N 2 0 327.429 -0.650 20 0 EBADRP NC(=O)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001411020077 1127976802 /nfs/dbraw/zinc/97/68/02/1127976802.db2.gz OWMJWKSVICPFAF-WDEREUQCSA-N 2 0 336.358 -0.206 20 0 EBADRP Cc1nnsc1C[NH2+]C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001411142953 1128036865 /nfs/dbraw/zinc/03/68/65/1128036865.db2.gz LJBXCNDGCSOCAS-LBPRGKRZSA-N 2 0 339.465 -0.149 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001411170740 1128068334 /nfs/dbraw/zinc/06/83/34/1128068334.db2.gz QWLQLCYNCJLNJT-KRWDZBQOSA-N 2 0 340.468 -0.496 20 0 EBADRP CN(C[C@H](O)C[N@H+](C)C[C@@H]1CCc2ncnn21)C(=O)CC[NH+](C)C ZINC001411192555 1128088649 /nfs/dbraw/zinc/08/86/49/1128088649.db2.gz VWBQDOZJHJYRDY-UONOGXRCSA-N 2 0 338.456 -0.532 20 0 EBADRP C[C@@H]([NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C)C(=O)NC(N)=O ZINC001411228257 1128098385 /nfs/dbraw/zinc/09/83/85/1128098385.db2.gz ZZFXNPIMWSEUQL-NEPJUHHUSA-N 2 0 341.456 -0.214 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2C[C@H]3C[N@H+](CCO)C[C@@]3(C)C2)CC1 ZINC001092146019 1128186484 /nfs/dbraw/zinc/18/64/84/1128186484.db2.gz XKWMKBJVRCGBTF-PBHICJAKSA-N 2 0 325.453 -0.130 20 0 EBADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092508390 1128250581 /nfs/dbraw/zinc/25/05/81/1128250581.db2.gz ZKWDKALDNAWGIX-KFWWJZLASA-N 2 0 337.468 -0.210 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC(N)=O)C[C@H]2C)C1 ZINC001092910418 1128284115 /nfs/dbraw/zinc/28/41/15/1128284115.db2.gz DKAUETNGEWVWPD-MGPQQGTHSA-N 2 0 326.441 -0.735 20 0 EBADRP C[N@H+](CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CC[NH+](C)C1)C1CCC1 ZINC001488000235 1128536718 /nfs/dbraw/zinc/53/67/18/1128536718.db2.gz ODMZLFOVYPOTMY-OLZOCXBDSA-N 2 0 326.441 -0.984 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001488078795 1128613538 /nfs/dbraw/zinc/61/35/38/1128613538.db2.gz VPPMJJDMRMBVDQ-UONOGXRCSA-N 2 0 340.468 -0.594 20 0 EBADRP CN(C[C@H](O)CNC(=O)CCC[NH+](C)C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001488376613 1128714463 /nfs/dbraw/zinc/71/44/63/1128714463.db2.gz MYYFTXYXIUVYEU-HUUCEWRRSA-N 2 0 342.484 -0.252 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)CNC(=O)C[NH+]2CCCC2)C1 ZINC001488409376 1128744529 /nfs/dbraw/zinc/74/45/29/1128744529.db2.gz LEVSICRREGXEEV-CABCVRRESA-N 2 0 340.468 -0.641 20 0 EBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001488794426 1128855625 /nfs/dbraw/zinc/85/56/25/1128855625.db2.gz QXBHLULHLMUUKE-BARDWOONSA-N 2 0 340.468 -0.426 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001489014512 1128898779 /nfs/dbraw/zinc/89/87/79/1128898779.db2.gz BMTSIPAGHDNKBI-ZIAGYGMSSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH+](CCO)CCCO)C2)C1 ZINC001489171612 1128916688 /nfs/dbraw/zinc/91/66/88/1128916688.db2.gz ZMRGKFCLRDQHRI-JKSUJKDBSA-N 2 0 327.469 -0.004 20 0 EBADRP CO[C@@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001489521933 1128992970 /nfs/dbraw/zinc/99/29/70/1128992970.db2.gz CSTARQSXJWEBKE-RRFJBIMHSA-N 2 0 340.468 -0.380 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001489618165 1129029741 /nfs/dbraw/zinc/02/97/41/1129029741.db2.gz NVNWOYFEPSEXLE-KGLIPLIRSA-N 2 0 328.457 -0.642 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001489621219 1129031304 /nfs/dbraw/zinc/03/13/04/1129031304.db2.gz KASIMHRSCYOIEM-MJBXVCDLSA-N 2 0 346.447 -0.694 20 0 EBADRP C[NH+](C)CCOCC(=O)NC1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001358652793 1131243883 /nfs/dbraw/zinc/24/38/83/1131243883.db2.gz KCFKFAWLUFBCKE-CYBMUJFWSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001490305363 1129160191 /nfs/dbraw/zinc/16/01/91/1129160191.db2.gz GFUCACAHAOUBLK-NEPJUHHUSA-N 2 0 327.429 -0.508 20 0 EBADRP CCN1CCO[C@@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000870020821 1129265233 /nfs/dbraw/zinc/26/52/33/1129265233.db2.gz HDZXETXDHJDEAH-BZUAXINKSA-N 2 0 326.485 -0.095 20 0 EBADRP C[NH+]1CCC(OCC(=O)NC2CCN([C@@H]3CCOC3=O)CC2)CC1 ZINC001411945521 1129408858 /nfs/dbraw/zinc/40/88/58/1129408858.db2.gz CYIALARKEJDDEH-OAHLLOKOSA-N 2 0 339.436 -0.007 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CC1 ZINC001691740450 1129703181 /nfs/dbraw/zinc/70/31/81/1129703181.db2.gz UXASEZBOJDAIHQ-XBXGTLAGSA-N 2 0 346.497 -0.638 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)NC(=O)CC[NH+](C)C)CC[N@@H+]1C ZINC001412867393 1129748189 /nfs/dbraw/zinc/74/81/89/1129748189.db2.gz MRRZGJCHTNQEKF-HZSPNIEDSA-N 2 0 328.457 -0.738 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001412890527 1129760995 /nfs/dbraw/zinc/76/09/95/1129760995.db2.gz ASONLZNICALVQG-UONOGXRCSA-N 2 0 326.441 -0.984 20 0 EBADRP Cc1cncn1CC(=O)NC[C@@H](CO)NC(=O)C[N@@H+](C)C1CCC1 ZINC001412910964 1129781324 /nfs/dbraw/zinc/78/13/24/1129781324.db2.gz XUFMMQOGGOOXLJ-ZDUSSCGKSA-N 2 0 337.424 -0.731 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001412930545 1129791481 /nfs/dbraw/zinc/79/14/81/1129791481.db2.gz FEOXSZLYNJBTTI-UONOGXRCSA-N 2 0 340.468 -0.452 20 0 EBADRP CN(C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001413237806 1129962274 /nfs/dbraw/zinc/96/22/74/1129962274.db2.gz NDYLBIZAPSYOHE-GJZGRUSLSA-N 2 0 340.468 -0.642 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)CNC(=O)CC[NH+](C)C)C1 ZINC001413337824 1130026332 /nfs/dbraw/zinc/02/63/32/1130026332.db2.gz QMIOQEAUNUGWOA-KBPBESRZSA-N 2 0 328.457 -0.785 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001413359192 1130045539 /nfs/dbraw/zinc/04/55/39/1130045539.db2.gz YSRHXTSBWFLUOU-RBSFLKMASA-N 2 0 342.484 -0.396 20 0 EBADRP CN(CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1)S(C)(=O)=O ZINC001490898287 1130229718 /nfs/dbraw/zinc/22/97/18/1130229718.db2.gz YOEHGIKFMZCBEK-JOCQHMNTSA-N 2 0 346.497 -0.401 20 0 EBADRP C[NH+](C)CCC(=O)N1CCCO[C@H](CNC(=O)Cn2ccnc2)C1 ZINC001413749256 1130254161 /nfs/dbraw/zinc/25/41/61/1130254161.db2.gz AVOOVZPMLMXDNT-CQSZACIVSA-N 2 0 337.424 -0.432 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001491023883 1130294758 /nfs/dbraw/zinc/29/47/58/1130294758.db2.gz WCHNWFVVPYXYQJ-QNWHQSFQSA-N 2 0 342.415 -0.292 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001491056200 1130309161 /nfs/dbraw/zinc/30/91/61/1130309161.db2.gz VNJZUKAFNQCDDU-MELADBBJSA-N 2 0 331.482 0.000 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001491080764 1130315528 /nfs/dbraw/zinc/31/55/28/1130315528.db2.gz UNFVLTQDADFQBP-WHOHXGKFSA-N 2 0 325.413 -0.981 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCCCN2C(=O)CCC[NH+](C)C)nc1=O ZINC001491260669 1130376593 /nfs/dbraw/zinc/37/65/93/1130376593.db2.gz VHCXIIDKBSDYEX-ZDUSSCGKSA-N 2 0 338.456 -0.079 20 0 EBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC(=O)NC(N)=O ZINC001491477832 1130462077 /nfs/dbraw/zinc/46/20/77/1130462077.db2.gz MORAGPRRUSCTNK-DGCLKSJQSA-N 2 0 339.440 -0.317 20 0 EBADRP C[C@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)[NH2+]Cc1cnnn1C ZINC001491494950 1130469482 /nfs/dbraw/zinc/46/94/82/1130469482.db2.gz JMQQNKULOSKDPO-CYBMUJFWSA-N 2 0 338.456 -0.232 20 0 EBADRP C[C@H](CCNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]Cc1ncnn1C ZINC001492128527 1130583929 /nfs/dbraw/zinc/58/39/29/1130583929.db2.gz WHHDLZNOOPENDI-UONOGXRCSA-N 2 0 338.456 -0.232 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001492176931 1130590043 /nfs/dbraw/zinc/59/00/43/1130590043.db2.gz BBMALQKFRBNJLL-GJZGRUSLSA-N 2 0 340.468 -0.199 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001492257348 1130610255 /nfs/dbraw/zinc/61/02/55/1130610255.db2.gz PPVXZNSCGMPVLN-UONOGXRCSA-N 2 0 338.452 -0.086 20 0 EBADRP Cc1cn2nc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2c(=O)[nH]1 ZINC001413843987 1130683595 /nfs/dbraw/zinc/68/35/95/1130683595.db2.gz ATODNDPOECSNLL-UHFFFAOYSA-N 2 0 334.424 -0.104 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001480196854 1130764632 /nfs/dbraw/zinc/76/46/32/1130764632.db2.gz MZNDCPAAWUALME-MJBXVCDLSA-N 2 0 326.441 -0.530 20 0 EBADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001480459979 1130816129 /nfs/dbraw/zinc/81/61/29/1130816129.db2.gz QIJAMOPSOYYENE-QWHCGFSZSA-N 2 0 334.486 -0.497 20 0 EBADRP COc1cc(NCCC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)ncn1 ZINC001357241742 1131061457 /nfs/dbraw/zinc/06/14/57/1131061457.db2.gz KPMGTEQQFTVOHB-AWEZNQCLSA-N 2 0 338.456 -0.515 20 0 EBADRP C[NH+](C)CC(=O)N1CCN(C(=O)c2ccc(C[NH+](C)C)nc2)CC1 ZINC001362039355 1131502346 /nfs/dbraw/zinc/50/23/46/1131502346.db2.gz MTJVEFALAVKXTG-UHFFFAOYSA-N 2 0 333.436 -0.011 20 0 EBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H](C)CC[NH+](C)C ZINC001362581696 1131617155 /nfs/dbraw/zinc/61/71/55/1131617155.db2.gz HUVZEJDDUOITTL-OAHLLOKOSA-N 2 0 342.484 -0.177 20 0 EBADRP COC1CC[NH+](C(C)(C)CNS(=O)(=O)N2CCN(C)CC2)CC1 ZINC001363956725 1132142198 /nfs/dbraw/zinc/14/21/98/1132142198.db2.gz QEPYCIRKAQHGOM-UHFFFAOYSA-N 2 0 348.513 -0.042 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CC2)C[C@H]1C[NH+](C)C ZINC001364449141 1132320543 /nfs/dbraw/zinc/32/05/43/1132320543.db2.gz RCNMLMMAMAIVIS-CHWSQXEVSA-N 2 0 331.482 -0.239 20 0 EBADRP CN1CC[C@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1=O ZINC001364598443 1132371280 /nfs/dbraw/zinc/37/12/80/1132371280.db2.gz OBWULQYVZDBKFU-MCIONIFRSA-N 2 0 325.457 -0.402 20 0 EBADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](CCC(=O)OC)C[C@@H]1C ZINC001365286428 1132608030 /nfs/dbraw/zinc/60/80/30/1132608030.db2.gz JFDKGTWZUFSZGY-GJZGRUSLSA-N 2 0 331.457 -0.505 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC001365558841 1132720850 /nfs/dbraw/zinc/72/08/50/1132720850.db2.gz VIDXDFPVEZTAJQ-LSDHHAIUSA-N 2 0 327.473 -0.622 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001365820659 1132818396 /nfs/dbraw/zinc/81/83/96/1132818396.db2.gz NQUSTWPQQHAXHD-XQQFMLRXSA-N 2 0 341.456 -0.343 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001365834086 1132824452 /nfs/dbraw/zinc/82/44/52/1132824452.db2.gz MZEUOZPVHFQMHZ-YHUYYLMFSA-N 2 0 335.452 -0.177 20 0 EBADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NC ZINC001365862911 1132840538 /nfs/dbraw/zinc/84/05/38/1132840538.db2.gz YAQKIFCKRDQWNH-BFHYXJOUSA-N 2 0 326.441 -0.863 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC(N)=O)CC[C@@H]2C1)[NH+](C)C ZINC001365889233 1132867746 /nfs/dbraw/zinc/86/77/46/1132867746.db2.gz KYDRTIPBVQUCQK-AGIUHOORSA-N 2 0 339.440 -0.698 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001365892943 1132870187 /nfs/dbraw/zinc/87/01/87/1132870187.db2.gz VWQYGFQWGLRUNO-ZDUSSCGKSA-N 2 0 341.456 -0.246 20 0 EBADRP Cn1cc(CC[NH+]2CCN(CCNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001365966959 1132930260 /nfs/dbraw/zinc/93/02/60/1132930260.db2.gz XLGHHFHYHPUGCO-QGZVFWFLSA-N 2 0 348.495 -0.352 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CC[C@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001366097778 1133003675 /nfs/dbraw/zinc/00/36/75/1133003675.db2.gz JBZDLLPESQSBCD-KGLIPLIRSA-N 2 0 343.493 -0.047 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001366111317 1133011098 /nfs/dbraw/zinc/01/10/98/1133011098.db2.gz NDLSDYKIZRLBCJ-SRVKXCTJSA-N 2 0 325.413 -0.709 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC[C@H]3CCOC3)C2)C1 ZINC001366129129 1133019631 /nfs/dbraw/zinc/01/96/31/1133019631.db2.gz FRJZJDJBGXNGRH-LXTVHRRPSA-N 2 0 338.452 -0.672 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001366141413 1133024529 /nfs/dbraw/zinc/02/45/29/1133024529.db2.gz JUHDSQCNZKISRR-FRRDWIJNSA-N 2 0 337.424 -0.694 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001366151227 1133028697 /nfs/dbraw/zinc/02/86/97/1133028697.db2.gz RHSWFDHQWUPOJI-RFQIPJPRSA-N 2 0 331.482 -0.002 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001366158411 1133031608 /nfs/dbraw/zinc/03/16/08/1133031608.db2.gz ZOZIQZUIWHOQTA-ZDEQEGDKSA-N 2 0 339.440 -0.591 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001366171702 1133038496 /nfs/dbraw/zinc/03/84/96/1133038496.db2.gz LGMDSPPXLDGOAX-RVMXOQNASA-N 2 0 339.440 -0.319 20 0 EBADRP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1)[NH+](C)C ZINC001366173016 1133039666 /nfs/dbraw/zinc/03/96/66/1133039666.db2.gz SHUCWTWTICWKFI-XGUBFFRZSA-N 2 0 340.468 -0.453 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001366183717 1133046351 /nfs/dbraw/zinc/04/63/51/1133046351.db2.gz BJQVQZCMNDFFDX-HUUCEWRRSA-N 2 0 325.453 -0.082 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001366193742 1133050675 /nfs/dbraw/zinc/05/06/75/1133050675.db2.gz RRNGQHWPEBJURY-CHWSQXEVSA-N 2 0 339.440 -0.506 20 0 EBADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC(=O)N1CCOCC1 ZINC001366324033 1133099599 /nfs/dbraw/zinc/09/95/99/1133099599.db2.gz OITYFEQPGSNZMA-ZDUSSCGKSA-N 2 0 326.441 -0.719 20 0 EBADRP C[C@H](CCNC(=O)C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001366485156 1133156647 /nfs/dbraw/zinc/15/66/47/1133156647.db2.gz DSQLGSNBAOSBSR-OLZOCXBDSA-N 2 0 341.456 -0.214 20 0 EBADRP CC[C@@H](C(=O)NCC[N@H+](C)C[C@@H]1CCN(S(C)(=O)=O)C1)[NH+](C)C ZINC001366583432 1133197344 /nfs/dbraw/zinc/19/73/44/1133197344.db2.gz LZGCLJQYEFSCQK-KBPBESRZSA-N 2 0 348.513 -0.344 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@H]1CCC[N@@H+]1CCN1CCNC1=O ZINC001366659404 1133232283 /nfs/dbraw/zinc/23/22/83/1133232283.db2.gz DZRWRIBWYGLGLN-CQSZACIVSA-N 2 0 325.457 -0.066 20 0 EBADRP CN(CCN1CCC[C@H]1CNC(=O)C[NH+]1CCCC1)S(C)(=O)=O ZINC001366673466 1133239752 /nfs/dbraw/zinc/23/97/52/1133239752.db2.gz GOAAIWLIQIUKBJ-AWEZNQCLSA-N 2 0 346.497 -0.446 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001366703426 1133263121 /nfs/dbraw/zinc/26/31/21/1133263121.db2.gz RGSJTGNFNYCSNP-NEPJUHHUSA-N 2 0 325.413 -0.896 20 0 EBADRP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001366704256 1133263218 /nfs/dbraw/zinc/26/32/18/1133263218.db2.gz SXGIEKVMWRDHRV-CHWSQXEVSA-N 2 0 339.440 -0.778 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001366837095 1133311596 /nfs/dbraw/zinc/31/15/96/1133311596.db2.gz GBCDNRQRBRZIPK-OLZOCXBDSA-N 2 0 339.440 -0.506 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC[C@@H]2CC[NH+](CCS(C)(=O)=O)C2)C1 ZINC001366848731 1133317410 /nfs/dbraw/zinc/31/74/10/1133317410.db2.gz BISQUQQDNJUDTD-KGLIPLIRSA-N 2 0 331.482 -0.189 20 0 EBADRP COC[C@H](O)C[NH+]1CCN(CCN(C)C(=O)C[NH+]2CCCC2)CC1 ZINC001366862821 1133328143 /nfs/dbraw/zinc/32/81/43/1133328143.db2.gz OMOJJZWLPQTABR-MRXNPFEDSA-N 2 0 342.484 -0.835 20 0 EBADRP CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)N1CCOCC1 ZINC001367133737 1133485096 /nfs/dbraw/zinc/48/50/96/1133485096.db2.gz FSFVQAOPCGQCCH-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)NC(N)=O)CC1)[NH+](C)C ZINC001367203906 1133500373 /nfs/dbraw/zinc/50/03/73/1133500373.db2.gz YERRJDGNWUNGFK-YRGRVCCFSA-N 2 0 341.456 -0.216 20 0 EBADRP C[C@@H]([NH2+]C[C@](C)(NC(=O)C[NH+]1CCCC1)C1CC1)C(=O)NC(N)=O ZINC001367244595 1133512779 /nfs/dbraw/zinc/51/27/79/1133512779.db2.gz SFXZWSYBTLDXLQ-BZNIZROVSA-N 2 0 339.440 -0.460 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001367255650 1133517205 /nfs/dbraw/zinc/51/72/05/1133517205.db2.gz CNIHESWDPWYOCW-OLZOCXBDSA-N 2 0 338.456 -0.175 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001367298354 1133532029 /nfs/dbraw/zinc/53/20/29/1133532029.db2.gz YNUWCGUVLCMRDQ-GFCCVEGCSA-N 2 0 327.429 -0.730 20 0 EBADRP C[N@H+](CC(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCCC1)C1CCC1 ZINC001367317072 1133549306 /nfs/dbraw/zinc/54/93/06/1133549306.db2.gz HJFDUXINVJDWEG-UHFFFAOYSA-N 2 0 339.440 -0.316 20 0 EBADRP CC[C@@H](C(=O)NC[C@H]([NH2+]CC(=O)NC(=O)NC)C(C)C)[NH+](C)C ZINC001367496843 1133603896 /nfs/dbraw/zinc/60/38/96/1133603896.db2.gz XNBITLJXVOHISY-RYUDHWBXSA-N 2 0 329.445 -0.487 20 0 EBADRP CN(CC[N@H+](C)CCN1CCNC1=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001367513483 1133609471 /nfs/dbraw/zinc/60/94/71/1133609471.db2.gz AVUQFRUKOJFQKO-OAHLLOKOSA-N 2 0 337.468 -0.256 20 0 EBADRP CCC(C)(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001367576254 1133643401 /nfs/dbraw/zinc/64/34/01/1133643401.db2.gz GRNGCYFAFGBELY-CHWSQXEVSA-N 2 0 328.457 -0.548 20 0 EBADRP CC[C@H]([NH2+]C[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCCCC1)C(N)=O ZINC001367579200 1133647061 /nfs/dbraw/zinc/64/70/61/1133647061.db2.gz JHVZGGIQYUWOPH-OLZOCXBDSA-N 2 0 328.457 -0.419 20 0 EBADRP CCn1nncc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001367581925 1133650543 /nfs/dbraw/zinc/65/05/43/1133650543.db2.gz MYJGSEOTCUBTKY-CABCVRRESA-N 2 0 338.456 -0.263 20 0 EBADRP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)nn1C ZINC001367589818 1133661233 /nfs/dbraw/zinc/66/12/33/1133661233.db2.gz MSFSNSCZHJGURW-HZPDHXFCSA-N 2 0 335.452 -0.363 20 0 EBADRP COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)cn1 ZINC001367615490 1133696268 /nfs/dbraw/zinc/69/62/68/1133696268.db2.gz BZGBJDXAYSPLRD-CQSZACIVSA-N 2 0 334.420 -0.247 20 0 EBADRP CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001367622053 1133706905 /nfs/dbraw/zinc/70/69/05/1133706905.db2.gz TYDVZCLZPSHZMZ-MLGOLLRUSA-N 2 0 346.447 -0.598 20 0 EBADRP CCN(CC[NH2+][C@H](C)C(=O)NC(=O)NC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001367662839 1133735784 /nfs/dbraw/zinc/73/57/84/1133735784.db2.gz TUGBHKDVAFRQSA-VXGBXAGGSA-N 2 0 327.429 -0.637 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001367709298 1133755325 /nfs/dbraw/zinc/75/53/25/1133755325.db2.gz SVYONIIKDXCCCY-RISCZKNCSA-N 2 0 341.456 -0.345 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001367754474 1133772228 /nfs/dbraw/zinc/77/22/28/1133772228.db2.gz WIQAEKKLUKNHBZ-NSHDSACASA-N 2 0 339.440 -0.589 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]C1(CNC(=O)CC[NH+](C)C)CC1 ZINC001368019336 1133899236 /nfs/dbraw/zinc/89/92/36/1133899236.db2.gz SOOQIVFCXGTQPR-NSHDSACASA-N 2 0 327.429 -0.589 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001368030404 1133904994 /nfs/dbraw/zinc/90/49/94/1133904994.db2.gz SCPDWAXKDIOWCP-GFCCVEGCSA-N 2 0 326.441 -0.530 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]C[C@H]2CCCN2C(=O)CC[NH+](C)C)CCO1 ZINC001368111296 1133943541 /nfs/dbraw/zinc/94/35/41/1133943541.db2.gz VHERMXXPORXDQP-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC001368162955 1133972848 /nfs/dbraw/zinc/97/28/48/1133972848.db2.gz POADKEKIRBRNRY-WMLDXEAASA-N 2 0 340.468 -0.498 20 0 EBADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001368267409 1134068015 /nfs/dbraw/zinc/06/80/15/1134068015.db2.gz VWMPQAQRNGXNBR-MLGOLLRUSA-N 2 0 326.441 -0.855 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001368338100 1134155272 /nfs/dbraw/zinc/15/52/72/1134155272.db2.gz RTGTWIDOPAIWOP-QWHCGFSZSA-N 2 0 338.456 -0.223 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001368360634 1134165188 /nfs/dbraw/zinc/16/51/88/1134165188.db2.gz JIWKGZSIKSFVOP-UKRRQHHQSA-N 2 0 339.484 -0.615 20 0 EBADRP Cn1cc(CC[N@@H+]2CCC[C@@](CO)(NC(=O)[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001368392446 1134194903 /nfs/dbraw/zinc/19/49/03/1134194903.db2.gz QHJCYUNXCREZDZ-FUHWJXTLSA-N 2 0 349.479 -0.143 20 0 EBADRP C[C@@H]([NH2+]CCN(CCO)C(=O)[C@H](C)[NH+]1CCCCCC1)C(N)=O ZINC001368393199 1134195615 /nfs/dbraw/zinc/19/56/15/1134195615.db2.gz DSGIIQJXOKMRIO-KGLIPLIRSA-N 2 0 328.457 -0.465 20 0 EBADRP C[C@H](C(=O)N(CCO)CC[NH2+][C@@H](C)C(N)=O)[NH+]1CCCCCC1 ZINC001368393202 1134196139 /nfs/dbraw/zinc/19/61/39/1134196139.db2.gz DSGIIQJXOKMRIO-UONOGXRCSA-N 2 0 328.457 -0.465 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]C1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001368489447 1134250554 /nfs/dbraw/zinc/25/05/54/1134250554.db2.gz PFGQCNKOCRNCIW-GFCCVEGCSA-N 2 0 341.456 -0.199 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCO[C@H](C[NH2+][C@H](C)C(=O)NC)C1 ZINC001368515871 1134267832 /nfs/dbraw/zinc/26/78/32/1134267832.db2.gz WAOGTNUFINOEGL-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCO[C@H](C[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001368518188 1134269693 /nfs/dbraw/zinc/26/96/93/1134269693.db2.gz ZUJWCXLKTKHXDW-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP CCNC(=O)NC(=O)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001368531194 1134277508 /nfs/dbraw/zinc/27/75/08/1134277508.db2.gz WRICJRMGFXFONM-CYBMUJFWSA-N 2 0 341.456 -0.293 20 0 EBADRP CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1)[NH+](C)C ZINC001368595262 1134313020 /nfs/dbraw/zinc/31/30/20/1134313020.db2.gz ZNKFNOVLMMCWPL-CYDGBPFRSA-N 2 0 341.456 -0.345 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001368605213 1134318503 /nfs/dbraw/zinc/31/85/03/1134318503.db2.gz YBXGFIHPPJTLHL-OAHLLOKOSA-N 2 0 340.468 -0.188 20 0 EBADRP CN(C(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1)C1CC1 ZINC001368617047 1134328225 /nfs/dbraw/zinc/32/82/25/1134328225.db2.gz BETBWGXVOKUTHW-KRWDZBQOSA-N 2 0 340.468 -0.498 20 0 EBADRP COC[C@@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001368620981 1134332084 /nfs/dbraw/zinc/33/20/84/1134332084.db2.gz HRAMTFVXRCXHSA-ZMSDIMECSA-N 2 0 345.484 -0.477 20 0 EBADRP CCN(C)C(=O)C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001368630681 1134344214 /nfs/dbraw/zinc/34/42/14/1134344214.db2.gz QAKZBJIDVMZRKC-RHSMWYFYSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@](CO)([NH2+]CC(=O)N(C)CC)C1)[NH+](C)C ZINC001368633224 1134346130 /nfs/dbraw/zinc/34/61/30/1134346130.db2.gz RKTQTYAFXTVVDW-YOEHRIQHSA-N 2 0 342.484 -0.252 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001368640155 1134350084 /nfs/dbraw/zinc/35/00/84/1134350084.db2.gz HHPRYFOGBVIXIW-YNEHKIRRSA-N 2 0 339.440 -0.460 20 0 EBADRP CCO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+][C@H](C)C(=O)N(C)C ZINC001368654281 1134358293 /nfs/dbraw/zinc/35/82/93/1134358293.db2.gz BCBKFGALNYIJDG-RBSFLKMASA-N 2 0 342.484 -0.132 20 0 EBADRP CC[C@@H](C(=O)N1CCC(O)(C[NH2+]CC(=O)NC2CC2)CC1)[NH+](C)C ZINC001368683024 1134380336 /nfs/dbraw/zinc/38/03/36/1134380336.db2.gz QATXAIGKGMFUHQ-AWEZNQCLSA-N 2 0 340.468 -0.452 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C[NH2+]CC(=O)NC)CC2)CC[N@@H+]1C ZINC001368691766 1134391263 /nfs/dbraw/zinc/39/12/63/1134391263.db2.gz UXDFYBRVCCUNKR-UONOGXRCSA-N 2 0 340.468 -0.594 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001368700201 1134397815 /nfs/dbraw/zinc/39/78/15/1134397815.db2.gz DSJHVLQFRFQNJV-UONOGXRCSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001368848632 1134463666 /nfs/dbraw/zinc/46/36/66/1134463666.db2.gz MFAWDCUIVRJVNN-VXGBXAGGSA-N 2 0 339.440 -0.460 20 0 EBADRP C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001368923413 1134486174 /nfs/dbraw/zinc/48/61/74/1134486174.db2.gz HPCSXOBCAJQUOL-NEPJUHHUSA-N 2 0 341.456 -0.404 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2(C[NH2+]CC(=O)NC(N)=O)CCCCC2)C1 ZINC001369057640 1134546514 /nfs/dbraw/zinc/54/65/14/1134546514.db2.gz NVUPXHWSORIYMS-GFCCVEGCSA-N 2 0 339.440 -0.458 20 0 EBADRP CC[C@H](C(=O)N[C@@H](C)C1C[NH+](CCN2CCNC2=O)C1)[NH+](C)C ZINC001369076026 1134552944 /nfs/dbraw/zinc/55/29/44/1134552944.db2.gz NZTUCWUAEVFKPR-GXTWGEPZSA-N 2 0 325.457 -0.212 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CO[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001369158401 1134599627 /nfs/dbraw/zinc/59/96/27/1134599627.db2.gz JGKQQNGYNPBYIO-KBPBESRZSA-N 2 0 338.452 -0.447 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001369161091 1134600697 /nfs/dbraw/zinc/60/06/97/1134600697.db2.gz VTWWMQZLPFAKRW-YHUYYLMFSA-N 2 0 325.453 -0.369 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)[C@@H](C)C(=O)NC(N)=O)CC1 ZINC001369191799 1134612866 /nfs/dbraw/zinc/61/28/66/1134612866.db2.gz RASZTLAAGHVRLC-LBPRGKRZSA-N 2 0 341.456 -0.166 20 0 EBADRP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N1CCOCC1 ZINC001369241823 1134626767 /nfs/dbraw/zinc/62/67/67/1134626767.db2.gz VMUXBPMOIGWWGE-ZIAGYGMSSA-N 2 0 326.441 -0.624 20 0 EBADRP C[C@H](CN(C)C(=O)C[N@H+](C)C1CCC1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001369248763 1134629268 /nfs/dbraw/zinc/62/92/68/1134629268.db2.gz BSDUKFPNERLVMX-MNOVXSKESA-N 2 0 327.429 -0.509 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(C)C)CC[N@@H+]1C ZINC001369321978 1134662833 /nfs/dbraw/zinc/66/28/33/1134662833.db2.gz GWCVBLPARIJWRU-MELADBBJSA-N 2 0 328.457 -0.692 20 0 EBADRP Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)C2CC[NH+](C)CC2)cc1=O ZINC001369351090 1134700739 /nfs/dbraw/zinc/70/07/39/1134700739.db2.gz SPJRLAOOMFNMKB-OAHLLOKOSA-N 2 0 336.436 -0.706 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001369376145 1134733919 /nfs/dbraw/zinc/73/39/19/1134733919.db2.gz RGGXXPPDXQWKQW-ZIAGYGMSSA-N 2 0 328.457 -0.690 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001369376868 1134735480 /nfs/dbraw/zinc/73/54/80/1134735480.db2.gz XQEHXEWMIMADFS-STQMWFEESA-N 2 0 341.456 -0.247 20 0 EBADRP Cc1cc(C)n(CC[NH2+][C@H](CO)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001369387268 1134749845 /nfs/dbraw/zinc/74/98/45/1134749845.db2.gz ZHDYWKABNJIBBD-HOTGVXAUSA-N 2 0 337.468 -0.092 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(=O)NC(=O)NC)C[C@H]1C ZINC001369409326 1134766876 /nfs/dbraw/zinc/76/68/76/1134766876.db2.gz VZEDUPYFTAIQNF-NEPJUHHUSA-N 2 0 327.429 -0.637 20 0 EBADRP CN(C[C@@H](O)C[NH2+]Cc1ccn(C)c(=O)c1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001369448775 1134787270 /nfs/dbraw/zinc/78/72/70/1134787270.db2.gz HKOLKMHVKUASSN-GJZGRUSLSA-N 2 0 336.436 -0.612 20 0 EBADRP CC(C)[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccnn1C)[NH+](C)C ZINC001369479321 1134842191 /nfs/dbraw/zinc/84/21/91/1134842191.db2.gz ZRZNPJIVLBLSRZ-CABCVRRESA-N 2 0 325.457 -0.085 20 0 EBADRP CN(C[C@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001369480055 1134844347 /nfs/dbraw/zinc/84/43/47/1134844347.db2.gz MTVBEUMQOPRYHJ-GXTWGEPZSA-N 2 0 326.441 -0.984 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@@H]([NH2+]CC(=O)N1CCOCC1)C1CC1 ZINC001370282030 1135281908 /nfs/dbraw/zinc/28/19/08/1135281908.db2.gz PAARAIFCZGLMCB-OAHLLOKOSA-N 2 0 338.452 -0.575 20 0 EBADRP CN(CC[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1)S(C)(=O)=O ZINC001370482687 1135369668 /nfs/dbraw/zinc/36/96/68/1135369668.db2.gz IEFAFCDXSQTBTO-JOCQHMNTSA-N 2 0 346.497 -0.401 20 0 EBADRP C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+]1CCCCCC1 ZINC001370526182 1135392671 /nfs/dbraw/zinc/39/26/71/1135392671.db2.gz UQPVZVOJZVNSIX-AVGNSLFASA-N 2 0 339.440 -0.317 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001370629268 1135434783 /nfs/dbraw/zinc/43/47/83/1135434783.db2.gz UOZAPHCVYKMYQQ-ZNMIVQPWSA-N 2 0 338.452 -0.387 20 0 EBADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1)[NH+](C)C ZINC001370649541 1135452420 /nfs/dbraw/zinc/45/24/20/1135452420.db2.gz MOSPHQQPCAVIKQ-NNYUYHANSA-N 2 0 327.429 -0.593 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001370743579 1135580600 /nfs/dbraw/zinc/58/06/00/1135580600.db2.gz LOUNAZNQORGTDU-KBPBESRZSA-N 2 0 328.457 -0.594 20 0 EBADRP CN(C[C@H](O)CNC(=O)C1([NH+](C)C)CCC1)C(=O)CC[NH+](C)C ZINC001371028326 1135793470 /nfs/dbraw/zinc/79/34/70/1135793470.db2.gz AUNJTDIFLYIEQI-CYBMUJFWSA-N 2 0 328.457 -0.642 20 0 EBADRP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCN1CCCS1(=O)=O ZINC001371244958 1135871351 /nfs/dbraw/zinc/87/13/51/1135871351.db2.gz VNPHOJLJZRYCAF-KGLIPLIRSA-N 2 0 346.497 -0.400 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCN1CCCS1(=O)=O ZINC001371244980 1135871575 /nfs/dbraw/zinc/87/15/75/1135871575.db2.gz VNPHOJLJZRYCAF-UONOGXRCSA-N 2 0 346.497 -0.400 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1O ZINC001371453265 1135915536 /nfs/dbraw/zinc/91/55/36/1135915536.db2.gz DIOYWZPKXWMEKG-QLFBSQMISA-N 2 0 340.468 -0.500 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C[C@H]1O ZINC001371462424 1135923468 /nfs/dbraw/zinc/92/34/68/1135923468.db2.gz WPLREYOMVLTTPN-KBUPBQIOSA-N 2 0 340.468 -0.645 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1O ZINC001371477820 1135932730 /nfs/dbraw/zinc/93/27/30/1135932730.db2.gz OLVZLEGJPAELBM-IIAWOOMASA-N 2 0 342.484 -0.398 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001371533827 1135957589 /nfs/dbraw/zinc/95/75/89/1135957589.db2.gz BAWAXWZKPHSCMI-ZNMIVQPWSA-N 2 0 340.468 -0.642 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001371533467 1135957690 /nfs/dbraw/zinc/95/76/90/1135957690.db2.gz YOLHFOUXKLJPOZ-NEPJUHHUSA-N 2 0 327.429 -0.637 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001371533472 1135957805 /nfs/dbraw/zinc/95/78/05/1135957805.db2.gz YPQLJIUDJMRNTL-GJZGRUSLSA-N 2 0 343.468 -0.315 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001372674250 1136265762 /nfs/dbraw/zinc/26/57/62/1136265762.db2.gz TUOGQIQCMHECSC-CABCVRRESA-N 2 0 343.493 -0.045 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001372936681 1136331286 /nfs/dbraw/zinc/33/12/86/1136331286.db2.gz DXDFJPDYVCZKSA-JHJVBQTASA-N 2 0 341.456 -0.391 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN1CC[NH+](CCO)CC1 ZINC001373259544 1136411372 /nfs/dbraw/zinc/41/13/72/1136411372.db2.gz PKQLESXXLIUSGB-INIZCTEOSA-N 2 0 326.485 -0.071 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001373295126 1136422088 /nfs/dbraw/zinc/42/20/88/1136422088.db2.gz VZYOHQREVSRVGF-KBPBESRZSA-N 2 0 348.513 -0.344 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001373459280 1136463227 /nfs/dbraw/zinc/46/32/27/1136463227.db2.gz MWHQGGRZGCQQEG-HUUCEWRRSA-N 2 0 340.468 -0.519 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](CC)[NH2+]CC(=O)NC(N)=O)C1 ZINC001373787880 1136560696 /nfs/dbraw/zinc/56/06/96/1136560696.db2.gz GOKDTWUNKPWISY-QWHCGFSZSA-N 2 0 341.456 -0.212 20 0 EBADRP CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001373796428 1136562328 /nfs/dbraw/zinc/56/23/28/1136562328.db2.gz MVTVPTQALADARM-STQMWFEESA-N 2 0 338.456 -0.033 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(C[NH2+]CC(=O)NC(N)=O)C2CC2)C1 ZINC001373889118 1136581308 /nfs/dbraw/zinc/58/13/08/1136581308.db2.gz NHSUCTWIYAOBLD-BZNIZROVSA-N 2 0 339.440 -0.602 20 0 EBADRP CCN1CCO[C@H](C(=O)N[C@@](C)(C[NH2+]CC(=O)NC)C2CC2)C1 ZINC001373901210 1136583663 /nfs/dbraw/zinc/58/36/63/1136583663.db2.gz QDJSCGSQVAHWMW-BBRMVZONSA-N 2 0 326.441 -0.672 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001373966382 1136594988 /nfs/dbraw/zinc/59/49/88/1136594988.db2.gz LOYRNJBKRLSKFH-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374106168 1136623303 /nfs/dbraw/zinc/62/33/03/1136623303.db2.gz GUCGVJXGRFIFJP-NWDGAFQWSA-N 2 0 327.429 -0.874 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001374231468 1136653727 /nfs/dbraw/zinc/65/37/27/1136653727.db2.gz FJBCNGBSZFBJTO-NEPJUHHUSA-N 2 0 341.456 -0.249 20 0 EBADRP C[C@H](C[NH2+][C@@H](C)C(N)=O)N(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001374251387 1136658449 /nfs/dbraw/zinc/65/84/49/1136658449.db2.gz MWFIZEJPBHIWBU-OLZOCXBDSA-N 2 0 328.457 -0.345 20 0 EBADRP C[C@H](C[NH2+][C@H](C)C(N)=O)N(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001374251384 1136658526 /nfs/dbraw/zinc/65/85/26/1136658526.db2.gz MWFIZEJPBHIWBU-CHWSQXEVSA-N 2 0 328.457 -0.345 20 0 EBADRP C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001374326372 1136674647 /nfs/dbraw/zinc/67/46/47/1136674647.db2.gz GHOKIFLZXPZSOM-ZDUSSCGKSA-N 2 0 338.456 -0.079 20 0 EBADRP CC(C)C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374354840 1136677779 /nfs/dbraw/zinc/67/77/79/1136677779.db2.gz TVAMVYZJOCVOJB-OLZOCXBDSA-N 2 0 341.456 -0.356 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001374383305 1136680950 /nfs/dbraw/zinc/68/09/50/1136680950.db2.gz JMUMPARYAFDRCN-NEPJUHHUSA-N 2 0 327.429 -0.650 20 0 EBADRP CC(C)[C@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)[NH2+]CC(N)=O ZINC001374459393 1136693278 /nfs/dbraw/zinc/69/32/78/1136693278.db2.gz OVPCUUPCPVRSAB-ZDUSSCGKSA-N 2 0 328.457 -0.440 20 0 EBADRP CNC(=O)c1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001374589902 1136732140 /nfs/dbraw/zinc/73/21/40/1136732140.db2.gz JJHGXTDCKCECJV-HZPDHXFCSA-N 2 0 348.447 -0.293 20 0 EBADRP COc1ccnc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001374607352 1136742708 /nfs/dbraw/zinc/74/27/08/1136742708.db2.gz VSKJSDGCBFLFHX-RDJZCZTQSA-N 2 0 348.447 -0.001 20 0 EBADRP CC1CC[NH+](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCC2)CC1 ZINC001374655337 1136778335 /nfs/dbraw/zinc/77/83/35/1136778335.db2.gz BYFLOSFZWAMZIJ-AWEZNQCLSA-N 2 0 326.441 -0.983 20 0 EBADRP O=C(NC[C@@H](O)C[NH2+]C[C@@H](O)Cc1ccccc1)C12CC[NH+](CC1)C2 ZINC001374667076 1136787812 /nfs/dbraw/zinc/78/78/12/1136787812.db2.gz ALZVMFZULFTTLI-IRXDYDNUSA-N 2 0 347.459 -0.248 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374667144 1136787869 /nfs/dbraw/zinc/78/78/69/1136787869.db2.gz BAUFOPGNCJJZQT-KBPBESRZSA-N 2 0 328.457 -0.738 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cccc3c2OCCO3)C1 ZINC001374687156 1136802655 /nfs/dbraw/zinc/80/26/55/1136802655.db2.gz ZJISQFBUYOALQF-GJZGRUSLSA-N 2 0 349.431 -0.024 20 0 EBADRP C[C@H](C[NH2+][C@H](C)C(=O)N(C)C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001374820065 1136841648 /nfs/dbraw/zinc/84/16/48/1136841648.db2.gz SECAPLFUDPQFJL-CHWSQXEVSA-N 2 0 338.456 -0.371 20 0 EBADRP C[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001374820066 1136841746 /nfs/dbraw/zinc/84/17/46/1136841746.db2.gz SECAPLFUDPQFJL-OLZOCXBDSA-N 2 0 338.456 -0.371 20 0 EBADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)[NH+](C)C ZINC001374905970 1136870280 /nfs/dbraw/zinc/87/02/80/1136870280.db2.gz NNELIFBOKXPZEK-MELADBBJSA-N 2 0 348.513 -0.298 20 0 EBADRP C[C@@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374962903 1136885471 /nfs/dbraw/zinc/88/54/71/1136885471.db2.gz YNENPBBKIYLIKV-KKUMJFAQSA-N 2 0 340.468 -0.594 20 0 EBADRP C[C@H](C[N@H+](C)CCN1CCNC1=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001375054525 1136902550 /nfs/dbraw/zinc/90/25/50/1136902550.db2.gz KZXNQNAMPDNVPB-CYBMUJFWSA-N 2 0 325.457 -0.068 20 0 EBADRP C[C@H](C[N@H+](C)C[C@@H](O)Cn1cccn1)NC(=O)C12CC[NH+](CC1)C2 ZINC001375132268 1136923051 /nfs/dbraw/zinc/92/30/51/1136923051.db2.gz HAQRPBNUOVCJOR-HUUCEWRRSA-N 2 0 335.452 -0.224 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCO1 ZINC000332008091 282122542 /nfs/dbraw/zinc/12/25/42/282122542.db2.gz CXNBMLCYMWIOHT-QLFBSQMISA-N 2 0 338.452 -0.482 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672003589 545721812 /nfs/dbraw/zinc/72/18/12/545721812.db2.gz DOMVTLUYPGEWLR-AWEZNQCLSA-N 2 0 326.441 -0.719 20 0 EBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000643545228 375891863 /nfs/dbraw/zinc/89/18/63/375891863.db2.gz PQWKKBQNMMKVIH-APIJFGDWSA-N 2 0 338.452 -0.354 20 0 EBADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)C2)CC1 ZINC000643544951 375892023 /nfs/dbraw/zinc/89/20/23/375892023.db2.gz YCZSXGZRRZCMOI-OAGGEKHMSA-N 2 0 334.464 -0.146 20 0 EBADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)C2)CC1 ZINC000643594034 375922135 /nfs/dbraw/zinc/92/21/35/375922135.db2.gz ZDCWCGPAAIISRJ-PMPSAXMXSA-N 2 0 334.464 -0.003 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CCSC1 ZINC000642768866 376088131 /nfs/dbraw/zinc/08/81/31/376088131.db2.gz MXEMNAXYHRFHSX-JFILPPLUSA-N 2 0 340.493 -0.264 20 0 EBADRP OC[C@]1(O)CCC[NH+](CCCCC[N@H+]2CCC[C@@](O)(CO)C2)C1 ZINC000568779007 376189044 /nfs/dbraw/zinc/18/90/44/376189044.db2.gz JXSBAOMWPZEFMG-IRXDYDNUSA-N 2 0 330.469 -0.205 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CCO1 ZINC000642787610 376149176 /nfs/dbraw/zinc/14/91/76/376149176.db2.gz BOIXNDKYKWAAOA-KBPBESRZSA-N 2 0 340.468 -0.201 20 0 EBADRP CC[NH2+]CCCNC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000557310942 376169968 /nfs/dbraw/zinc/16/99/68/376169968.db2.gz XFHXFUHEXKLFAL-OKILXGFUSA-N 2 0 328.457 -0.282 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@H](CCF)C1 ZINC000625465234 376232609 /nfs/dbraw/zinc/23/26/09/376232609.db2.gz FYDHSQUDKJUAJB-CQSZACIVSA-N 2 0 346.447 -0.475 20 0 EBADRP O=C(NCCCC[NH+]1CCOCC1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000564910689 376353873 /nfs/dbraw/zinc/35/38/73/376353873.db2.gz LANQSADLPKBQRJ-AWEZNQCLSA-N 2 0 336.440 -0.128 20 0 EBADRP O=C(CN1C(=O)CCC1=O)N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000569560563 376455663 /nfs/dbraw/zinc/45/56/63/376455663.db2.gz RFYRWODKXPOQBR-CQSZACIVSA-N 2 0 336.436 -0.331 20 0 EBADRP CCN1CCN(C(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)C[C@H]1c1ncc[nH]1 ZINC000410483453 376470414 /nfs/dbraw/zinc/47/04/14/376470414.db2.gz DQZKHOPFUVLULJ-KGLIPLIRSA-N 2 0 348.451 -0.223 20 0 EBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000625896552 376612687 /nfs/dbraw/zinc/61/26/87/376612687.db2.gz NNHOOJCULQTBTM-CYBMUJFWSA-N 2 0 335.412 -0.926 20 0 EBADRP O=C(C[C@]1(C(=O)NC[C@@H]2CCC[NH2+]2)CC[NH2+]C1)NC[C@@H]1CCC[NH2+]1 ZINC000370925585 376626051 /nfs/dbraw/zinc/62/60/51/376626051.db2.gz WNEDJVYYUBVZMP-GRDNDAEWSA-N 3 0 337.468 -0.907 20 0 EBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627357237 376662157 /nfs/dbraw/zinc/66/21/57/376662157.db2.gz AOBVCYHLNFVZRI-ZNMIVQPWSA-N 2 0 340.468 -0.425 20 0 EBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)C1 ZINC000642914849 376730148 /nfs/dbraw/zinc/73/01/48/376730148.db2.gz ONVDYDSGRWTRPT-CABCVRRESA-N 2 0 337.468 -0.907 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000642924568 376765970 /nfs/dbraw/zinc/76/59/70/376765970.db2.gz DDNOAKVNDNQBFR-KBPBESRZSA-N 2 0 337.468 -0.909 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCCN1CC[NH2+]CC1 ZINC000561204212 376816610 /nfs/dbraw/zinc/81/66/10/376816610.db2.gz KTTWKGOPTXMTBP-UHFFFAOYSA-N 3 0 328.505 -0.584 20 0 EBADRP COCC[NH2+]CC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000564724707 376898039 /nfs/dbraw/zinc/89/80/39/376898039.db2.gz AXOWAJYABXWJLQ-KGLIPLIRSA-N 2 0 326.441 -0.671 20 0 EBADRP COCC[NH2+]CC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000564724709 376898568 /nfs/dbraw/zinc/89/85/68/376898568.db2.gz AXOWAJYABXWJLQ-ZIAGYGMSSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1cnn(C)c1 ZINC000561850311 376884480 /nfs/dbraw/zinc/88/44/80/376884480.db2.gz NIOGICFSTSWNRZ-CYBMUJFWSA-N 2 0 338.456 -0.451 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000562012111 376908069 /nfs/dbraw/zinc/90/80/69/376908069.db2.gz GWXDAWJNUNELAL-LSDHHAIUSA-N 2 0 337.468 -0.955 20 0 EBADRP C[C@@H](C(=O)NCCCC[NH+]1CCN(CCO)CC1)[NH+]1CC(C)C1 ZINC000570581232 377256346 /nfs/dbraw/zinc/25/63/46/377256346.db2.gz FBWQUIYXIKXZND-INIZCTEOSA-N 2 0 326.485 -0.167 20 0 EBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC[N@@H+]1C ZINC000572790740 377291772 /nfs/dbraw/zinc/29/17/72/377291772.db2.gz LLIFKSRTOYOFEH-CABCVRRESA-N 3 0 341.500 -0.463 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)C1CC1 ZINC000580305688 377455006 /nfs/dbraw/zinc/45/50/06/377455006.db2.gz QUBQVQLJCAMRLL-KRWDZBQOSA-N 2 0 340.512 -0.172 20 0 EBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)c3[nH]nc4c3C[NH2+]CC4)C2)CC1 ZINC000364096443 377541921 /nfs/dbraw/zinc/54/19/21/377541921.db2.gz AIPNCQMNDLUSCX-GFCCVEGCSA-N 2 0 332.452 -0.046 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000636563197 377615058 /nfs/dbraw/zinc/61/50/58/377615058.db2.gz PORWTKNTXLLWBW-MRXNPFEDSA-N 2 0 341.500 -0.230 20 0 EBADRP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593735940 377910895 /nfs/dbraw/zinc/91/08/95/377910895.db2.gz AIRMZZYNFWMMHF-MELADBBJSA-N 2 0 327.425 -0.116 20 0 EBADRP COC(=O)CCN1CC[C@@H]([N@H+](C)CCCN2CC[NH+](C)CC2)C1=O ZINC000595401751 378002566 /nfs/dbraw/zinc/00/25/66/378002566.db2.gz PAQIHWGPMVPRSE-OAHLLOKOSA-N 2 0 340.468 -0.280 20 0 EBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3C[C@H]([NH3+])C[C@H]3C)C2)CC1 ZINC000601580942 378312821 /nfs/dbraw/zinc/31/28/21/378312821.db2.gz BVKWHLGLXVWIMX-RBSFLKMASA-N 2 0 337.468 -0.827 20 0 EBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3C[C@@H]([NH3+])C[C@@H]3C)C2)CC1 ZINC000601580945 378312936 /nfs/dbraw/zinc/31/29/36/378312936.db2.gz BVKWHLGLXVWIMX-SOUVJXGZSA-N 2 0 337.468 -0.827 20 0 EBADRP CC1(O)CCN(c2cc(N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)ncn2)CC1 ZINC000601983192 378329127 /nfs/dbraw/zinc/32/91/27/378329127.db2.gz LMFGJGUQRLPGDU-QWHCGFSZSA-N 2 0 346.435 -0.424 20 0 EBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H](O)[C@@H]3CCCO3)C2)CC1 ZINC000636790783 378396289 /nfs/dbraw/zinc/39/62/89/378396289.db2.gz BMQXURSRIIZQNX-IMJJTQAJSA-N 2 0 340.468 -0.006 20 0 EBADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC000627377380 378390418 /nfs/dbraw/zinc/39/04/18/378390418.db2.gz HLPKYGJEXXUSTO-OAHLLOKOSA-N 2 0 334.420 -0.531 20 0 EBADRP CN1CCC(CNC(=O)N[C@@H]2COC[C@@H]2O)([NH+]2CCCCC2)CC1 ZINC000636856347 378417272 /nfs/dbraw/zinc/41/72/72/378417272.db2.gz QNHGKJFCQFHNQU-CABCVRRESA-N 2 0 340.468 -0.004 20 0 EBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000636945357 378436116 /nfs/dbraw/zinc/43/61/16/378436116.db2.gz WTQDGVOEJAULID-JYJNAYRXSA-N 2 0 340.468 -0.270 20 0 EBADRP CNC(=O)CCCNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000604178734 378437103 /nfs/dbraw/zinc/43/71/03/378437103.db2.gz CRJNGRLDPCEKCY-ZDUSSCGKSA-N 2 0 325.457 -0.020 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN(C)S(C)(=O)=O ZINC000338083606 378735504 /nfs/dbraw/zinc/73/55/04/378735504.db2.gz HXYPJOQQQXDFBG-AWEZNQCLSA-N 2 0 348.513 -0.248 20 0 EBADRP C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339633577 378961314 /nfs/dbraw/zinc/96/13/14/378961314.db2.gz RIUOMNKGLKHINO-ZDUSSCGKSA-N 2 0 340.468 -0.500 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000339652022 378965666 /nfs/dbraw/zinc/96/56/66/378965666.db2.gz PVQFJTJXMMXXOE-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2C[C@H]3[C@H](CO)[C@H]3C2)C1 ZINC000366437513 378965727 /nfs/dbraw/zinc/96/57/27/378965727.db2.gz KFLOREZUFYXEDM-CAOSSQGBSA-N 2 0 325.453 -0.371 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000339652583 378966513 /nfs/dbraw/zinc/96/65/13/378966513.db2.gz WDZHTEMBWUWAOD-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP Cc1nn(C)c(N2CCOCC2)c1CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563430903 379016189 /nfs/dbraw/zinc/01/61/89/379016189.db2.gz CNKIWXOIDMCSBN-DZGCQCFKSA-N 2 0 348.451 -0.691 20 0 EBADRP C[NH+]1CCC(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)(N2CCOCC2)CC1 ZINC000629580620 379055968 /nfs/dbraw/zinc/05/59/68/379055968.db2.gz VYVVPAWOCMWVHU-QGZVFWFLSA-N 3 0 340.512 -0.171 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000629787033 379131460 /nfs/dbraw/zinc/13/14/60/379131460.db2.gz OWQHUSKKIWAQAR-UHFFFAOYSA-N 2 0 349.435 -0.575 20 0 EBADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627475372 379135653 /nfs/dbraw/zinc/13/56/53/379135653.db2.gz LLKRRNYBVVHKGE-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000629819003 379160108 /nfs/dbraw/zinc/16/01/08/379160108.db2.gz HSWZHEYRGMXERD-INIZCTEOSA-N 2 0 326.441 -0.636 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC[NH2+]1 ZINC000629817430 379162191 /nfs/dbraw/zinc/16/21/91/379162191.db2.gz NOPGGSJOGVURGW-CQSZACIVSA-N 2 0 338.452 -0.480 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000629797426 379139966 /nfs/dbraw/zinc/13/99/66/379139966.db2.gz XQXMRAFNNKULSA-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000627296882 379143119 /nfs/dbraw/zinc/14/31/19/379143119.db2.gz VZSDHZTYLJXYHB-QLFBSQMISA-N 2 0 340.468 -0.140 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629796491 379146558 /nfs/dbraw/zinc/14/65/58/379146558.db2.gz RBANQQVFENGETQ-CALCHBBNSA-N 2 0 340.468 -0.519 20 0 EBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629803206 379148838 /nfs/dbraw/zinc/14/88/38/379148838.db2.gz RPRONMCOKMTICF-KGLIPLIRSA-N 2 0 326.441 -0.495 20 0 EBADRP O=C(NCC[NH+]1CCCOCC1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000458838358 379236676 /nfs/dbraw/zinc/23/66/76/379236676.db2.gz HPOUVCPTKOSYKF-HNNXBMFYSA-N 2 0 328.457 -0.145 20 0 EBADRP O=C(NCC[NH+]1CCCOCC1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458854045 379237817 /nfs/dbraw/zinc/23/78/17/379237817.db2.gz XFZWLGDEHRIHOH-OAHLLOKOSA-N 2 0 328.457 -0.145 20 0 EBADRP O=C(NCC[NH+]1CCCOCC1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458854044 379238231 /nfs/dbraw/zinc/23/82/31/379238231.db2.gz XFZWLGDEHRIHOH-HNNXBMFYSA-N 2 0 328.457 -0.145 20 0 EBADRP O=C(CCn1ccnc1)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000265681492 379256891 /nfs/dbraw/zinc/25/68/91/379256891.db2.gz UABCBRVDSBOAPH-CQSZACIVSA-N 2 0 335.408 -0.678 20 0 EBADRP CO[C@@H]1COC[C@@H]1[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000459821957 379269477 /nfs/dbraw/zinc/26/94/77/379269477.db2.gz GRVLJPYXBATLKQ-QLFBSQMISA-N 2 0 329.441 -0.537 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCCOCCC[NH3+])C1 ZINC000627333066 379344800 /nfs/dbraw/zinc/34/48/00/379344800.db2.gz SPHZLKCVIUQGJI-CQSZACIVSA-N 2 0 328.457 -0.295 20 0 EBADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)C2([NH+](C)C)CC2)CC1=O ZINC000629994037 379335048 /nfs/dbraw/zinc/33/50/48/379335048.db2.gz TXIOLDYVDBOZTR-CYBMUJFWSA-N 2 0 326.441 -0.624 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000627332161 379340112 /nfs/dbraw/zinc/34/01/12/379340112.db2.gz RUPXNMIVXYNTSQ-KBPBESRZSA-N 2 0 326.441 -0.672 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000627308622 379296438 /nfs/dbraw/zinc/29/64/38/379296438.db2.gz UKURRRFUUUPZTO-UHFFFAOYSA-N 2 0 333.392 -0.355 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000627312172 379302828 /nfs/dbraw/zinc/30/28/28/379302828.db2.gz RFOHKULDTOLADA-ZIAGYGMSSA-N 2 0 328.457 -0.425 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000627312110 379303915 /nfs/dbraw/zinc/30/39/15/379303915.db2.gz PQTSSGMEONMTCG-HUUCEWRRSA-N 2 0 342.484 -0.083 20 0 EBADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627312323 379304905 /nfs/dbraw/zinc/30/49/05/379304905.db2.gz WICZWNNGFDQPFB-QLFBSQMISA-N 2 0 342.484 -0.049 20 0 EBADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627312115 379305015 /nfs/dbraw/zinc/30/50/15/379305015.db2.gz PTCROBQSRXCZNG-UONOGXRCSA-N 2 0 328.457 -0.295 20 0 EBADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCOCC[NH+](C)C ZINC000471643385 379375318 /nfs/dbraw/zinc/37/53/18/379375318.db2.gz HTRITXVTGYQWHA-HNNXBMFYSA-N 2 0 329.489 -0.110 20 0 EBADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000627344356 379386872 /nfs/dbraw/zinc/38/68/72/379386872.db2.gz CKFWAYZDZDWORQ-AWEZNQCLSA-N 2 0 338.452 -0.386 20 0 EBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[NH2+]CCO1 ZINC000269313267 379360618 /nfs/dbraw/zinc/36/06/18/379360618.db2.gz XUUGJVJFFAUQTO-MRXNPFEDSA-N 3 0 333.436 -0.302 20 0 EBADRP CCN1CCO[C@H](C(=O)N2CC[C@@H](OCCN3CCOCC3)C2)C1 ZINC000479020074 379440151 /nfs/dbraw/zinc/44/01/51/379440151.db2.gz RCPSCUBTOZHLMO-CVEARBPZSA-N 2 0 341.452 -0.343 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000627349137 379409155 /nfs/dbraw/zinc/40/91/55/379409155.db2.gz CWLPWPQCVJLFRS-QWHCGFSZSA-N 2 0 326.441 -0.578 20 0 EBADRP C[NH+](C)CCN1C(=O)C[C@H]([NH+]2CCC(Cn3cncn3)CC2)C1=O ZINC000487510994 379499075 /nfs/dbraw/zinc/49/90/75/379499075.db2.gz GPOBDKSWMXSQAN-AWEZNQCLSA-N 2 0 334.424 -0.321 20 0 EBADRP C[C@H]1CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[NH2+]1 ZINC000627483869 379454766 /nfs/dbraw/zinc/45/47/66/379454766.db2.gz MOUAKYYHIGAGGI-KBPBESRZSA-N 3 0 327.473 -0.805 20 0 EBADRP Nc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)nc(N)[nH+]1 ZINC000623989311 379495549 /nfs/dbraw/zinc/49/55/49/379495549.db2.gz SFEIUSTULZHACL-OLZOCXBDSA-N 2 0 329.408 -0.586 20 0 EBADRP Nc1nc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)nc(N)[nH+]1 ZINC000624280374 379535758 /nfs/dbraw/zinc/53/57/58/379535758.db2.gz DVELIOWAINDYJU-UHFFFAOYSA-N 2 0 329.408 -0.442 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)CCO1 ZINC000642056017 379539866 /nfs/dbraw/zinc/53/98/66/379539866.db2.gz NLRNUYNBFDFECK-UONOGXRCSA-N 2 0 340.468 -0.201 20 0 EBADRP CO[C@@H]1C[N@H+](CCOCC[NH+]2C[C@H](OC)[C@@H](OC)C2)C[C@@H]1OC ZINC000488036761 379509114 /nfs/dbraw/zinc/50/91/14/379509114.db2.gz SQZFZCGNEGYIDJ-YHUYYLMFSA-N 2 0 332.441 -0.306 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000627398632 379582443 /nfs/dbraw/zinc/58/24/43/379582443.db2.gz RTAKLDBCVLVULT-QLFBSQMISA-N 2 0 339.484 -0.757 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000627425332 379591905 /nfs/dbraw/zinc/59/19/05/379591905.db2.gz MOFDIQNDKRNXRE-KBPBESRZSA-N 2 0 326.441 -0.447 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000627427715 379592102 /nfs/dbraw/zinc/59/21/02/379592102.db2.gz MCGDNIPQOUXLDC-CQSZACIVSA-N 2 0 340.468 -0.009 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000627425102 379592982 /nfs/dbraw/zinc/59/29/82/379592982.db2.gz FDFFHEQXXSVBFD-KBPBESRZSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627357236 379563895 /nfs/dbraw/zinc/56/38/95/379563895.db2.gz AOBVCYHLNFVZRI-RBSFLKMASA-N 2 0 340.468 -0.425 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000627371250 379572646 /nfs/dbraw/zinc/57/26/46/379572646.db2.gz ZDPPSPDAWPNARS-YWPYICTPSA-N 2 0 328.482 -0.203 20 0 EBADRP C[C@H](CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[NH+]1CCCCC1 ZINC000627387027 379577110 /nfs/dbraw/zinc/57/71/10/379577110.db2.gz CZGRLERNQURNTF-KGLIPLIRSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@H]1CC[C@H](NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)C[NH2+]1 ZINC000627480022 379630063 /nfs/dbraw/zinc/63/00/63/379630063.db2.gz KCTOQDPCYJKQGB-KBPBESRZSA-N 2 0 340.468 -0.188 20 0 EBADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627481939 379630977 /nfs/dbraw/zinc/63/09/77/379630977.db2.gz JZSVRWMJJDGIMP-KGLIPLIRSA-N 2 0 328.457 -0.282 20 0 EBADRP C[C@H]1CC[C@@H](NC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C[NH2+]1 ZINC000627483782 379631102 /nfs/dbraw/zinc/63/11/02/379631102.db2.gz LBCGHIRMEBZORP-LSDHHAIUSA-N 2 0 339.484 -0.661 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000627484802 379634307 /nfs/dbraw/zinc/63/43/07/379634307.db2.gz JIXNGHSOGOVOEO-HNNXBMFYSA-N 2 0 340.468 -0.055 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000627493944 379641570 /nfs/dbraw/zinc/64/15/70/379641570.db2.gz WBSUDVWRZCSISB-HNNXBMFYSA-N 2 0 349.435 -0.794 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000627502246 379646318 /nfs/dbraw/zinc/64/63/18/379646318.db2.gz PGWQTIWVLCLZRO-BFHYXJOUSA-N 2 0 326.441 -0.578 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000627455303 379605559 /nfs/dbraw/zinc/60/55/59/379605559.db2.gz RNSXBDMIYWLFSR-KBPBESRZSA-N 2 0 340.468 -0.153 20 0 EBADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627455995 379606370 /nfs/dbraw/zinc/60/63/70/379606370.db2.gz USKMFMUVKKTQSU-KGLIPLIRSA-N 2 0 338.452 -0.447 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000627457688 379608399 /nfs/dbraw/zinc/60/83/99/379608399.db2.gz GBLMPTTZHPOTKR-ZQDZILKHSA-N 2 0 340.468 -0.141 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000627461495 379609806 /nfs/dbraw/zinc/60/98/06/379609806.db2.gz RFRZKSANCBTWSG-OKILXGFUSA-N 2 0 328.457 -0.282 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000627462158 379610658 /nfs/dbraw/zinc/61/06/58/379610658.db2.gz KTOZJJUWUIYOOM-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000627463667 379612391 /nfs/dbraw/zinc/61/23/91/379612391.db2.gz FOFDWGKUZFHTFB-UHFFFAOYSA-N 2 0 326.441 -0.575 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000627463220 379612921 /nfs/dbraw/zinc/61/29/21/379612921.db2.gz QMXAIENMIWLAOX-ZIAGYGMSSA-N 2 0 326.441 -0.719 20 0 EBADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627469620 379615015 /nfs/dbraw/zinc/61/50/15/379615015.db2.gz AAQZCQKTFWRNTA-ZDUSSCGKSA-N 2 0 338.408 -0.726 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)C[NH+]1CCCCC1 ZINC000627468659 379615531 /nfs/dbraw/zinc/61/55/31/379615531.db2.gz ATFAXBLKQRHZFZ-KBPBESRZSA-N 2 0 326.441 -0.671 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2COCC[NH2+]2)[C@H](C)C1 ZINC000627473998 379621743 /nfs/dbraw/zinc/62/17/43/379621743.db2.gz BICXXOUBYHLMQB-RDBSUJKOSA-N 2 0 326.441 -0.720 20 0 EBADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627473192 379622275 /nfs/dbraw/zinc/62/22/75/379622275.db2.gz IRSCGMORPMWNQL-ZIAGYGMSSA-N 2 0 326.441 -0.815 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C[C@@H]1C ZINC000627473299 379622845 /nfs/dbraw/zinc/62/28/45/379622845.db2.gz KWNXFOABTANMPR-MJBXVCDLSA-N 2 0 326.441 -0.578 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C[C@H]1C ZINC000627473298 379623472 /nfs/dbraw/zinc/62/34/72/379623472.db2.gz KWNXFOABTANMPR-MCIONIFRSA-N 2 0 326.441 -0.578 20 0 EBADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627475586 379625371 /nfs/dbraw/zinc/62/53/71/379625371.db2.gz PQSMPMGLTLYMJL-MJBXVCDLSA-N 2 0 326.441 -0.530 20 0 EBADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CNC(=O)C[NH3+] ZINC000274388278 379687535 /nfs/dbraw/zinc/68/75/35/379687535.db2.gz CNYWLMXDZIHQJO-UHFFFAOYSA-N 2 0 349.435 -0.150 20 0 EBADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000627980978 379735025 /nfs/dbraw/zinc/73/50/25/379735025.db2.gz GTJFFOPQJJHEMY-MRXNPFEDSA-N 2 0 348.447 -0.088 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C1 ZINC000642222582 379744513 /nfs/dbraw/zinc/74/45/13/379744513.db2.gz AMKVJLDQFIGKHC-GJZGRUSLSA-N 2 0 340.468 -0.282 20 0 EBADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631945372 379790054 /nfs/dbraw/zinc/79/00/54/379790054.db2.gz WZKITMLUWJUFPX-KFWWJZLASA-N 2 0 347.481 -0.477 20 0 EBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000631962255 379793566 /nfs/dbraw/zinc/79/35/66/379793566.db2.gz LGBIOQZRAVDOMT-HNNXBMFYSA-N 2 0 347.481 -0.509 20 0 EBADRP [NH3+]CCCOCCNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000627093002 379802997 /nfs/dbraw/zinc/80/29/97/379802997.db2.gz GXGAHESTHHURRO-UHFFFAOYSA-N 2 0 327.473 -0.133 20 0 EBADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@@H]1COCC[NH2+]1 ZINC000627091250 379803284 /nfs/dbraw/zinc/80/32/84/379803284.db2.gz LQYIFDMJNZPWLI-GHMZBOCLSA-N 2 0 339.362 -0.890 20 0 EBADRP C[C@@H](CCCC[NH3+])NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627093158 379803312 /nfs/dbraw/zinc/80/33/12/379803312.db2.gz JCXMKVKBRDETEB-AWEZNQCLSA-N 2 0 340.472 -0.144 20 0 EBADRP C[NH2+]CCOCCNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000627094155 379803438 /nfs/dbraw/zinc/80/34/38/379803438.db2.gz VNBLGBDLGSNWFH-UHFFFAOYSA-N 2 0 327.473 -0.262 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000631798022 379760372 /nfs/dbraw/zinc/76/03/72/379760372.db2.gz LREGUAVQFANOMF-AWEZNQCLSA-N 2 0 330.498 -0.220 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000626970473 379767469 /nfs/dbraw/zinc/76/74/69/379767469.db2.gz NUIRAGICCVZNTI-CQSZACIVSA-N 2 0 326.441 -0.081 20 0 EBADRP CN(CCOCC[NH3+])C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000626979532 379769817 /nfs/dbraw/zinc/76/98/17/379769817.db2.gz ZUBHSCLQXFEHKJ-AWEZNQCLSA-N 2 0 327.473 -0.228 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000626979430 379770170 /nfs/dbraw/zinc/77/01/70/379770170.db2.gz BIEGYLYBBWPVKH-RRFJBIMHSA-N 2 0 325.457 -0.558 20 0 EBADRP CN(CCOCC[NH3+])C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000626981066 379770579 /nfs/dbraw/zinc/77/05/79/379770579.db2.gz YESZJJSPVXYQGE-HNNXBMFYSA-N 2 0 343.472 -0.990 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000626979458 379770846 /nfs/dbraw/zinc/77/08/46/379770846.db2.gz CBEMNYXWSKCCLN-HRCADAONSA-N 2 0 339.484 -0.167 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CCO1 ZINC000631907081 379771159 /nfs/dbraw/zinc/77/11/59/379771159.db2.gz CPCQWGXCGAGABQ-UONOGXRCSA-N 2 0 334.486 -0.998 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000626986617 379773202 /nfs/dbraw/zinc/77/32/02/379773202.db2.gz KWGDVLSPLLRTMI-OAHLLOKOSA-N 2 0 329.489 -0.253 20 0 EBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000631918071 379776610 /nfs/dbraw/zinc/77/66/10/379776610.db2.gz SYTXQOSXHSWGRV-AWEZNQCLSA-N 2 0 347.481 -0.461 20 0 EBADRP C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631918753 379776892 /nfs/dbraw/zinc/77/68/92/379776892.db2.gz LIHWQXBAHHZWGV-HNNXBMFYSA-N 2 0 342.465 -0.237 20 0 EBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000631926444 379783260 /nfs/dbraw/zinc/78/32/60/379783260.db2.gz YAPMUAPDVZONCS-AWEZNQCLSA-N 2 0 346.497 -0.431 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000631931692 379784921 /nfs/dbraw/zinc/78/49/21/379784921.db2.gz MDCPCQPWAZVEFO-GJZGRUSLSA-N 2 0 330.498 -0.363 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000631931694 379785461 /nfs/dbraw/zinc/78/54/61/379785461.db2.gz MDCPCQPWAZVEFO-LSDHHAIUSA-N 2 0 330.498 -0.363 20 0 EBADRP CC[C@@]1(O)CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000632487882 379868553 /nfs/dbraw/zinc/86/85/53/379868553.db2.gz XYIHXVSMZWXKGQ-QGZVFWFLSA-N 2 0 342.484 -0.298 20 0 EBADRP C[NH2+]CCOCCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000627176983 379822877 /nfs/dbraw/zinc/82/28/77/379822877.db2.gz DGXAMDFNYCQYKG-UHFFFAOYSA-N 2 0 328.457 -0.024 20 0 EBADRP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)NC[C@@H]1COCC[NH2+]1 ZINC000627189775 379826467 /nfs/dbraw/zinc/82/64/67/379826467.db2.gz ZMXHLJKGUXURPI-IAGOWNOFSA-N 2 0 348.447 -0.307 20 0 EBADRP O=C(C(=O)N1CCC(C[NH+]2CCOCC2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633078325 379928431 /nfs/dbraw/zinc/92/84/31/379928431.db2.gz HTWHLVLSTNWCIX-GJZGRUSLSA-N 2 0 336.436 -0.870 20 0 EBADRP CN(C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000633088462 379932085 /nfs/dbraw/zinc/93/20/85/379932085.db2.gz GJRHGDTWSFINLT-BPUTZDHNSA-N 2 0 349.479 -0.814 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000633102155 379938262 /nfs/dbraw/zinc/93/82/62/379938262.db2.gz RBAXBKGKIAGMSY-YHUYYLMFSA-N 2 0 349.479 -0.957 20 0 EBADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1=O ZINC000633106198 379940171 /nfs/dbraw/zinc/94/01/71/379940171.db2.gz LONQZPSLQPBXTG-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000633139080 379947652 /nfs/dbraw/zinc/94/76/52/379947652.db2.gz GYPAVGRNOCNDMO-DZGCQCFKSA-N 2 0 338.452 -0.495 20 0 EBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000633143508 379948740 /nfs/dbraw/zinc/94/87/40/379948740.db2.gz MJNYSEGXYXHMRM-QWHCGFSZSA-N 2 0 326.441 -0.760 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](CO)C[NH+](C)C)CC1=O ZINC000614855293 380000014 /nfs/dbraw/zinc/00/00/14/380000014.db2.gz XAXVKNSBYUQCGN-QLFBSQMISA-N 2 0 340.468 -0.642 20 0 EBADRP C[C@@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000128577905 380001013 /nfs/dbraw/zinc/00/10/13/380001013.db2.gz MBEMLNBGKMXUPB-GOEBONIOSA-N 2 0 329.489 -0.518 20 0 EBADRP CO[C@H](C[NH3+])C(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000353460132 380073556 /nfs/dbraw/zinc/07/35/56/380073556.db2.gz NVFZYWQYEWXFRO-LSDHHAIUSA-N 2 0 328.457 -0.787 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000354673895 380077390 /nfs/dbraw/zinc/07/73/90/380077390.db2.gz LEQRVLXHYJPQLL-ZNMIVQPWSA-N 2 0 340.468 -0.140 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000354692493 380081178 /nfs/dbraw/zinc/08/11/78/380081178.db2.gz WMVODQRGUWMXEX-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccncc2)CC1)N1CCNCC1=O ZINC000638065341 380083233 /nfs/dbraw/zinc/08/32/33/380083233.db2.gz RYKUKOKTTFTTMW-AWEZNQCLSA-N 2 0 345.447 -0.018 20 0 EBADRP C[C@H](CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)C[NH+]1CCN(C)CC1 ZINC000546591409 380115755 /nfs/dbraw/zinc/11/57/55/380115755.db2.gz BXNGNSOXJZBMRN-GDBMZVCRSA-N 2 0 327.473 -0.764 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cn(CC2(C)COC2)nn1 ZINC000546861738 380124425 /nfs/dbraw/zinc/12/44/25/380124425.db2.gz JLHWLLBXRXMUGO-UHFFFAOYSA-N 2 0 338.456 -0.120 20 0 EBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000638096828 380128711 /nfs/dbraw/zinc/12/87/11/380128711.db2.gz NELQXVWCZBIBQT-ZQIUZPCESA-N 2 0 340.468 -0.188 20 0 EBADRP [NH3+]C[C@@]1(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CCCOC1 ZINC000638116496 380166190 /nfs/dbraw/zinc/16/61/90/380166190.db2.gz DOUGFBXVYPUBSH-RDJZCZTQSA-N 2 0 340.468 -0.735 20 0 EBADRP C[NH+]1CCN(c2cc(CNC(=O)[C@]3(C)C[NH2+]CCO3)ccn2)CC1 ZINC000638135976 380195025 /nfs/dbraw/zinc/19/50/25/380195025.db2.gz FMRGSXGQMMWWNW-KRWDZBQOSA-N 2 0 333.436 -0.172 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000355142481 380153522 /nfs/dbraw/zinc/15/35/22/380153522.db2.gz WSSYSQXNJDDIEZ-HIFRSBDPSA-N 2 0 338.452 -0.434 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000285944576 380274328 /nfs/dbraw/zinc/27/43/28/380274328.db2.gz MEWONPYVSGNAET-AWEZNQCLSA-N 2 0 349.435 -0.529 20 0 EBADRP COCCOCC[N@H+](C)CCC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000638226108 380293299 /nfs/dbraw/zinc/29/32/99/380293299.db2.gz CYGTYIHBOMFUQY-MRXNPFEDSA-N 2 0 342.484 -0.523 20 0 EBADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000638226420 380293819 /nfs/dbraw/zinc/29/38/19/380293819.db2.gz GFRFHAUBNLGDQD-QZTJIDSGSA-N 2 0 345.491 -0.048 20 0 EBADRP CN(C[C@H](O)CNC(=O)C1([NH+](C)C)CC1)C(=O)C1([NH+](C)C)CC1 ZINC000615214812 380294713 /nfs/dbraw/zinc/29/47/13/380294713.db2.gz GVFWUQMSCWWWDO-GFCCVEGCSA-N 2 0 326.441 -0.890 20 0 EBADRP CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)N[C@@H](C)CN1CCOCC1 ZINC000340258143 380363885 /nfs/dbraw/zinc/36/38/85/380363885.db2.gz VTBRAHUSVHVEFB-GJZGRUSLSA-N 2 0 340.468 -0.378 20 0 EBADRP C[NH+]1CCN(C[C@H](Nc2nc(N)[nH+]c(N)n2)c2ccccc2)CC1 ZINC000623934218 380362932 /nfs/dbraw/zinc/36/29/32/380362932.db2.gz GUFFOXVESDQAGR-ZDUSSCGKSA-N 2 0 328.424 -0.481 20 0 EBADRP CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)C1(C)C ZINC000565538417 380424452 /nfs/dbraw/zinc/42/44/52/380424452.db2.gz SRWXIXVPIKXAKO-BONVTDFDSA-N 2 0 337.428 -0.315 20 0 EBADRP C[NH+](C)CCOc1cc(C[NH2+]C[C@@H](O)CN2CCOCC2)ccn1 ZINC000565652363 380427922 /nfs/dbraw/zinc/42/79/22/380427922.db2.gz KHMCMYLZNRWUSH-MRXNPFEDSA-N 2 0 338.452 -0.195 20 0 EBADRP CN1CCO[C@H](C(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)C1 ZINC000565696656 380429741 /nfs/dbraw/zinc/42/97/41/380429741.db2.gz LJAXUJMEZBHDQM-HNNXBMFYSA-N 2 0 332.404 -0.201 20 0 EBADRP COc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccn1 ZINC000565793351 380433611 /nfs/dbraw/zinc/43/36/11/380433611.db2.gz PKFFZXNGJRHPMV-UHFFFAOYSA-N 2 0 337.424 -0.020 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)COC2CC[NH2+]CC2)CC1 ZINC000566179251 380451411 /nfs/dbraw/zinc/45/14/11/380451411.db2.gz SKMCINGDXIHAKR-UHFFFAOYSA-N 2 0 340.468 -0.232 20 0 EBADRP CC[NH+]1CCN(CCCNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000362565445 380411150 /nfs/dbraw/zinc/41/11/50/380411150.db2.gz UHVXZRVNDAEPRQ-OAHLLOKOSA-N 2 0 349.483 -0.040 20 0 EBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCC3CC[NH+](C4CC4)CC3)CCN2C1=O ZINC000565249813 380411611 /nfs/dbraw/zinc/41/16/11/380411611.db2.gz JHIWIYWUSMRALB-HUUCEWRRSA-N 2 0 335.452 -0.186 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000565253162 380412230 /nfs/dbraw/zinc/41/22/30/380412230.db2.gz HRVHTLWUZSTHGU-INIZCTEOSA-N 2 0 348.447 -0.189 20 0 EBADRP [NH3+]CCc1ccccc1C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638484279 380484840 /nfs/dbraw/zinc/48/48/40/380484840.db2.gz WELSRCXEUBBQPL-UHFFFAOYSA-N 2 0 345.447 -0.029 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000340431028 380496815 /nfs/dbraw/zinc/49/68/15/380496815.db2.gz IRPJFMNHHBIMBC-HNNXBMFYSA-N 2 0 346.497 -0.766 20 0 EBADRP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000567820048 380546494 /nfs/dbraw/zinc/54/64/94/380546494.db2.gz DVUVZRHHTWLYPF-OAHLLOKOSA-N 2 0 331.420 -0.314 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000340569591 380546945 /nfs/dbraw/zinc/54/69/45/380546945.db2.gz CEUWBRWUGQUSQD-UKRRQHHQSA-N 2 0 340.468 -0.330 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000369400398 380557690 /nfs/dbraw/zinc/55/76/90/380557690.db2.gz HHFSACJJBBAWGK-HZPDHXFCSA-N 2 0 339.484 -0.214 20 0 EBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000569123990 380631570 /nfs/dbraw/zinc/63/15/70/380631570.db2.gz YJPXWGLACRBKRZ-GJZGRUSLSA-N 2 0 339.484 -0.676 20 0 EBADRP C[C@H](CNC(=O)C(=O)NCC[N@H+](C)C1CC1)C[NH+]1CCN(C)CC1 ZINC000340795992 380632700 /nfs/dbraw/zinc/63/27/00/380632700.db2.gz LLUAXHHQGBDEHA-CQSZACIVSA-N 2 0 339.484 -0.804 20 0 EBADRP O=C(C[C@@H]1CSCC[NH2+]1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000371279897 380642781 /nfs/dbraw/zinc/64/27/81/380642781.db2.gz LWWIWFOIASMCLM-HUUCEWRRSA-N 2 0 342.509 -0.396 20 0 EBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)NC3[C@@H]4CCC[C@H]3CC([NH3+])C4)CCN2C1=O ZINC000568287554 380593848 /nfs/dbraw/zinc/59/38/48/380593848.db2.gz CNNRVVFXFVCCOH-DVUXXLOYSA-N 2 0 335.452 -0.154 20 0 EBADRP Cn1ncc2c1ncnc2N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000573210833 380664241 /nfs/dbraw/zinc/66/42/41/380664241.db2.gz YTHXYMRITKEOLG-UHFFFAOYSA-N 2 0 330.440 -0.610 20 0 EBADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000573268220 380667287 /nfs/dbraw/zinc/66/72/87/380667287.db2.gz SMACDWAVBXWMCF-QLFBSQMISA-N 2 0 337.468 -0.082 20 0 EBADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000573268219 380667652 /nfs/dbraw/zinc/66/76/52/380667652.db2.gz SMACDWAVBXWMCF-KFWWJZLASA-N 2 0 337.468 -0.082 20 0 EBADRP CC[NH+](CC)CCSCC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000573386833 380671178 /nfs/dbraw/zinc/67/11/78/380671178.db2.gz QJUWFUKTMMYDKU-OLZOCXBDSA-N 2 0 328.482 -0.168 20 0 EBADRP C[N@@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000341154163 380672704 /nfs/dbraw/zinc/67/27/04/380672704.db2.gz DQOZATOGIIOTEU-KGLIPLIRSA-N 2 0 325.457 -0.033 20 0 EBADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000573565006 380677786 /nfs/dbraw/zinc/67/77/86/380677786.db2.gz PSRCLMHPTUSRND-GWCFXTLKSA-N 2 0 326.422 -0.140 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000573565007 380678301 /nfs/dbraw/zinc/67/83/01/380678301.db2.gz PSRCLMHPTUSRND-GXFFZTMASA-N 2 0 326.422 -0.140 20 0 EBADRP C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418201907 380655859 /nfs/dbraw/zinc/65/58/59/380655859.db2.gz IGWXHFSUYPEKGW-KBPBESRZSA-N 2 0 325.457 -0.210 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000576331141 380766394 /nfs/dbraw/zinc/76/63/94/380766394.db2.gz OCJPVIMLTBIPHX-OAHLLOKOSA-N 2 0 337.468 -0.066 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)[NH+](C)C1CC1 ZINC000341544311 380716139 /nfs/dbraw/zinc/71/61/39/380716139.db2.gz HJYGBUKTGYNSBU-UKRRQHHQSA-N 2 0 340.468 -0.188 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000341547159 380716571 /nfs/dbraw/zinc/71/65/71/380716571.db2.gz NAZZDYZMSLWVFH-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000574688589 380720180 /nfs/dbraw/zinc/72/01/80/380720180.db2.gz PVHRGMUFEIXNPI-AWEZNQCLSA-N 2 0 327.425 -0.020 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000574813125 380724823 /nfs/dbraw/zinc/72/48/23/380724823.db2.gz QSPKGJZIHXFYAZ-UONOGXRCSA-N 2 0 340.468 -0.010 20 0 EBADRP CC(C)[NH+]1CCC(NC(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000575330616 380737557 /nfs/dbraw/zinc/73/75/57/380737557.db2.gz ALYNNPFEXKZIAA-LSDHHAIUSA-N 2 0 337.468 -0.781 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[NH2+]C[C@H]2C(F)F)C1 ZINC000576350042 380768792 /nfs/dbraw/zinc/76/87/92/380768792.db2.gz DQGRENDETOFJOA-KGLIPLIRSA-N 2 0 348.438 -0.002 20 0 EBADRP CC(C)[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000575920027 380751103 /nfs/dbraw/zinc/75/11/03/380751103.db2.gz HUWDBROXITYQLG-GJZGRUSLSA-N 2 0 339.484 -0.757 20 0 EBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)C[NH2+]C[C@H]3CCCO3)CC2)C1=O ZINC000638855549 380773640 /nfs/dbraw/zinc/77/36/40/380773640.db2.gz DQGXSSNEGVWQIA-HUUCEWRRSA-N 2 0 338.452 -0.434 20 0 EBADRP O=C1NC[C@@H]2C[NH+](CCCC[N@@H+]3CCN4C(=O)NC[C@H]4C3)CCN12 ZINC000175877967 380774803 /nfs/dbraw/zinc/77/48/03/380774803.db2.gz WPCWCRHNDQVXAQ-OKILXGFUSA-N 2 0 336.440 -0.815 20 0 EBADRP COc1ccc([C@H](CO)C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000576637212 380779530 /nfs/dbraw/zinc/77/95/30/380779530.db2.gz SBEJWCNDYCYUHY-DLBZAZTESA-N 2 0 337.464 -0.031 20 0 EBADRP CN(Cc1ccncc1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000577266223 380813046 /nfs/dbraw/zinc/81/30/46/380813046.db2.gz HNFXKYRFXOCGLZ-UHFFFAOYSA-N 2 0 335.452 -0.008 20 0 EBADRP CN1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)[C@H](C[NH3+])C1 ZINC000578005257 380870639 /nfs/dbraw/zinc/87/06/39/380870639.db2.gz XEIIRLSKRIXFJI-HUUCEWRRSA-N 2 0 337.468 -0.826 20 0 EBADRP C[C@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)N1CCNCC1=O ZINC000638986204 380854912 /nfs/dbraw/zinc/85/49/12/380854912.db2.gz WSMHFTFYJXIDNB-GFCCVEGCSA-N 2 0 332.408 -0.750 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417431643 380886161 /nfs/dbraw/zinc/88/61/61/380886161.db2.gz RJVOGXHKHSCQGV-UONOGXRCSA-N 2 0 325.457 -0.034 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000417431641 380886525 /nfs/dbraw/zinc/88/65/25/380886525.db2.gz RJVOGXHKHSCQGV-KGLIPLIRSA-N 2 0 325.457 -0.034 20 0 EBADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)C1(C)C ZINC000578234164 380915405 /nfs/dbraw/zinc/91/54/05/380915405.db2.gz OHNYVZFPTAKRSL-MLGOLLRUSA-N 2 0 326.441 -0.591 20 0 EBADRP COc1ccncc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000579311046 380981813 /nfs/dbraw/zinc/98/18/13/380981813.db2.gz LVROGHZSWNXJKW-UHFFFAOYSA-N 2 0 337.424 -0.020 20 0 EBADRP CC(C)[NH2+]C1(CO)CCN(CCC(=O)N2CCN(C)CC2)CC1 ZINC000580341882 380993109 /nfs/dbraw/zinc/99/31/09/380993109.db2.gz MHQIROSTPCPFFS-UHFFFAOYSA-N 2 0 326.485 -0.025 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000579497428 380993410 /nfs/dbraw/zinc/99/34/10/380993410.db2.gz DTBZHFSBVKANAG-MGPQQGTHSA-N 2 0 339.440 -0.949 20 0 EBADRP CC[NH+](C)C[C@H](O)CN1CCCN(C[C@H](O)C[N@@H+](C)CC)CC1 ZINC000581080518 381052930 /nfs/dbraw/zinc/05/29/30/381052930.db2.gz UZQWBXDDZCHELS-CALCHBBNSA-N 2 0 330.517 -0.381 20 0 EBADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)[C@H]1n1cccn1 ZINC000581365450 381070717 /nfs/dbraw/zinc/07/07/17/381070717.db2.gz SKYLJUMXOCQKJI-YYIAUSFCSA-N 2 0 337.468 -0.201 20 0 EBADRP CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)[C@H](C[NH3+])C1 ZINC000580768545 381032966 /nfs/dbraw/zinc/03/29/66/381032966.db2.gz RTPTYSRGAGBXPR-RRFJBIMHSA-N 2 0 337.468 -0.970 20 0 EBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000193706807 381042204 /nfs/dbraw/zinc/04/22/04/381042204.db2.gz MFAKMIFCPRYSDD-OLZOCXBDSA-N 2 0 328.482 -0.072 20 0 EBADRP C[NH2+]C[C@H](C)CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418388743 381120634 /nfs/dbraw/zinc/12/06/34/381120634.db2.gz NOURJVBDPWUFIZ-QWRGUYRKSA-N 2 0 325.379 -0.023 20 0 EBADRP COC(=O)C1CC[NH+](CCCNC(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000581427508 381075915 /nfs/dbraw/zinc/07/59/15/381075915.db2.gz VSLZNKLQHRUWIJ-AWEZNQCLSA-N 2 0 327.425 -0.244 20 0 EBADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000583861994 381168983 /nfs/dbraw/zinc/16/89/83/381168983.db2.gz KDLSFCIMPCEIFE-ILXRZTDVSA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@@H](C[NH3+])NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000418619012 381252431 /nfs/dbraw/zinc/25/24/31/381252431.db2.gz OKARFHNMSKHBID-ZFWWWQNUSA-N 2 0 335.452 -0.078 20 0 EBADRP O=C(NC[C@H]1C[NH2+]CCO1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418774853 381265583 /nfs/dbraw/zinc/26/55/83/381265583.db2.gz VWWVHIZTYKSKKQ-SJLPKXTDSA-N 2 0 348.447 -0.089 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000418497630 381243486 /nfs/dbraw/zinc/24/34/86/381243486.db2.gz KKTNAFQESNDKDK-CQSZACIVSA-N 2 0 325.457 -0.081 20 0 EBADRP COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000418494494 381244985 /nfs/dbraw/zinc/24/49/85/381244985.db2.gz SHDTUEVMWZKJEX-UONOGXRCSA-N 2 0 343.472 -0.550 20 0 EBADRP C[C@](O)(CNC(=O)N[C@H](C[NH3+])C1CCCC1)CN1CCOCC1 ZINC000418587478 381249852 /nfs/dbraw/zinc/24/98/52/381249852.db2.gz GTTURVCQBQIDTI-ZBFHGGJFSA-N 2 0 328.457 -0.114 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CCCC1 ZINC000418833853 381289789 /nfs/dbraw/zinc/28/97/89/381289789.db2.gz NXLKXKZEUIBFGA-CYBMUJFWSA-N 2 0 326.441 -0.528 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000347971197 381304100 /nfs/dbraw/zinc/30/41/00/381304100.db2.gz RKAPFMQHTKSKJS-RBSFLKMASA-N 2 0 339.484 -0.663 20 0 EBADRP C[NH2+]CCNC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418794401 381275205 /nfs/dbraw/zinc/27/52/05/381275205.db2.gz BGYAUJUIZSNALP-UHFFFAOYSA-N 2 0 340.468 -0.279 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)[C@H](C)C[NH2+]1 ZINC000418877580 381326506 /nfs/dbraw/zinc/32/65/06/381326506.db2.gz JOPWTKZOWIXTSB-KFWWJZLASA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000418883124 381329989 /nfs/dbraw/zinc/32/99/89/381329989.db2.gz ZUTHBDGQJZMYOM-HOTGVXAUSA-N 2 0 348.447 -0.538 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000418883585 381331099 /nfs/dbraw/zinc/33/10/99/381331099.db2.gz VEZOCLFUCKMXMZ-RBSFLKMASA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N(CC[NH3+])CCO ZINC000418881066 381331460 /nfs/dbraw/zinc/33/14/60/381331460.db2.gz WRIIYXXXUPQASB-OAHLLOKOSA-N 2 0 336.436 -0.945 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[NH2+]CC2)C1 ZINC000418917919 381339007 /nfs/dbraw/zinc/33/90/07/381339007.db2.gz IOEXJUVZTJQMNB-AWEZNQCLSA-N 2 0 326.441 -0.719 20 0 EBADRP [NH3+]CCN(CCO)C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418861545 381312362 /nfs/dbraw/zinc/31/23/62/381312362.db2.gz NHKVJWPPJLKIOP-HNNXBMFYSA-N 2 0 334.420 -0.843 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)NCCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000418948874 381349546 /nfs/dbraw/zinc/34/95/46/381349546.db2.gz UEYLBEYLHMOUGK-UHFFFAOYSA-N 2 0 347.463 -0.744 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[N@H+](C)Cc1ccccc1 ZINC000418953799 381350147 /nfs/dbraw/zinc/35/01/47/381350147.db2.gz VPHFCUYSYBTOND-GOEBONIOSA-N 2 0 348.447 -0.272 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000418955644 381350555 /nfs/dbraw/zinc/35/05/55/381350555.db2.gz YDNGYBADGAFTRG-HOCLYGCPSA-N 2 0 348.447 -0.191 20 0 EBADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419033173 381358271 /nfs/dbraw/zinc/35/82/71/381358271.db2.gz XZQLGNZNHHCHBY-XGUBFFRZSA-N 2 0 340.468 -0.345 20 0 EBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419082241 381362149 /nfs/dbraw/zinc/36/21/49/381362149.db2.gz UEELEBOZYKXPSL-ZIAGYGMSSA-N 2 0 326.441 -0.447 20 0 EBADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000419187313 381404358 /nfs/dbraw/zinc/40/43/58/381404358.db2.gz QZGSRHPPEIUCCW-AWEZNQCLSA-N 2 0 341.500 -0.382 20 0 EBADRP [NH3+]CCN(CCO)C(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000419177311 381393288 /nfs/dbraw/zinc/39/32/88/381393288.db2.gz DHAWRKUHJOGVMM-OAHLLOKOSA-N 2 0 340.468 -0.321 20 0 EBADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)C(C)(C)C ZINC000419140287 381394744 /nfs/dbraw/zinc/39/47/44/381394744.db2.gz VPNGAZMFKXHCAR-QWHCGFSZSA-N 2 0 328.457 -0.426 20 0 EBADRP C[NH+](C)CC[C@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)C(C)(C)C ZINC000419140289 381395496 /nfs/dbraw/zinc/39/54/96/381395496.db2.gz VPNGAZMFKXHCAR-STQMWFEESA-N 2 0 328.457 -0.426 20 0 EBADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)NCCN1CC[NH2+]CC1)C(C)(C)C ZINC000419142438 381395563 /nfs/dbraw/zinc/39/55/63/381395563.db2.gz YANKALXODNMNRZ-CQSZACIVSA-N 2 0 341.500 -0.510 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000419145514 381397020 /nfs/dbraw/zinc/39/70/20/381397020.db2.gz GROXHQQSTHYBIY-CQSZACIVSA-N 2 0 328.457 -0.425 20 0 EBADRP CC1=CC[N@H+](CCNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000419225903 381401272 /nfs/dbraw/zinc/40/12/72/381401272.db2.gz PWKXRHHHGNYXAM-ZIAGYGMSSA-N 2 0 338.452 -0.016 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000419360468 381421312 /nfs/dbraw/zinc/42/13/12/381421312.db2.gz RVYQMMJISGPOLF-MELADBBJSA-N 2 0 326.441 -0.733 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCNC[C@H]1c1cccnc1 ZINC000419351616 381421988 /nfs/dbraw/zinc/42/19/88/381421988.db2.gz HVYDFVKKAGDDAN-HNNXBMFYSA-N 2 0 349.435 -0.751 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000419360372 381422106 /nfs/dbraw/zinc/42/21/06/381422106.db2.gz RNUFCXJWUBYRBF-UHFFFAOYSA-N 2 0 328.457 -0.151 20 0 EBADRP CO[C@H](C[NH3+])CC(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000583500288 381423782 /nfs/dbraw/zinc/42/37/82/381423782.db2.gz RZZDETCMEFYJLJ-NSHDSACASA-N 2 0 330.410 -0.774 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000419540770 381451133 /nfs/dbraw/zinc/45/11/33/381451133.db2.gz QXQCFXDTJIWIRE-LSDHHAIUSA-N 2 0 340.468 -0.199 20 0 EBADRP COC[C@]1(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC[NH2+]C1 ZINC000417828042 381445461 /nfs/dbraw/zinc/44/54/61/381445461.db2.gz PZTLFOYCUJCQRU-AAEUAGOBSA-N 2 0 338.374 -0.435 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419533808 381449117 /nfs/dbraw/zinc/44/91/17/381449117.db2.gz JEHJQGUSMSKCMZ-AWEZNQCLSA-N 2 0 340.468 -0.009 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419539074 381450076 /nfs/dbraw/zinc/45/00/76/381450076.db2.gz PLFVOHYUJGODKH-LSDHHAIUSA-N 2 0 340.468 -0.281 20 0 EBADRP C[C@@H](CCNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[NH+]1CCCCC1 ZINC000419712664 381477084 /nfs/dbraw/zinc/47/70/84/381477084.db2.gz LSHGTJZJYFEDOT-LSDHHAIUSA-N 2 0 340.468 -0.057 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH3+])CCO)C[N@@H+]1Cc1ccccc1 ZINC000419714742 381477388 /nfs/dbraw/zinc/47/73/88/381477388.db2.gz XZFJRTXKVMSDLN-ZBFHGGJFSA-N 2 0 348.447 -0.455 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000419722130 381479300 /nfs/dbraw/zinc/47/93/00/381479300.db2.gz DIBTXKBXLRDIEP-ZIAGYGMSSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@H](CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[NH+]1CCCCC1 ZINC000419720312 381479315 /nfs/dbraw/zinc/47/93/15/381479315.db2.gz YNGDOFXHDWRWNR-HUUCEWRRSA-N 2 0 340.468 -0.138 20 0 EBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+](C)CCOC ZINC000419678603 381480491 /nfs/dbraw/zinc/48/04/91/381480491.db2.gz OKIVRFDKGVBWFX-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])C1 ZINC000419723352 381481727 /nfs/dbraw/zinc/48/17/27/381481727.db2.gz FUZXHPBQXSUNHM-RDBSUJKOSA-N 2 0 326.441 -0.591 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000419547908 381453322 /nfs/dbraw/zinc/45/33/22/381453322.db2.gz SINKZOISVVWDGM-HZSPNIEDSA-N 2 0 326.441 -0.591 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000419550613 381453496 /nfs/dbraw/zinc/45/34/96/381453496.db2.gz WPSOMQZAXUFPOI-MGPQQGTHSA-N 2 0 326.441 -0.578 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CCSC1 ZINC000419575779 381457026 /nfs/dbraw/zinc/45/70/26/381457026.db2.gz BONJCUNIGFQKJV-DOMZBBRYSA-N 2 0 328.482 -0.120 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CCSC1 ZINC000419575784 381457292 /nfs/dbraw/zinc/45/72/92/381457292.db2.gz BONJCUNIGFQKJV-SWLSCSKDSA-N 2 0 328.482 -0.120 20 0 EBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000419579392 381458966 /nfs/dbraw/zinc/45/89/66/381458966.db2.gz HFKDLFDMSIHAHA-DOMZBBRYSA-N 2 0 328.482 -0.250 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)[N@H+](C)C1CC1 ZINC000419589716 381459936 /nfs/dbraw/zinc/45/99/36/381459936.db2.gz PLXOUBYFWKEVRD-NTZNESFSSA-N 2 0 326.441 -0.186 20 0 EBADRP CC(C)(CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)C[NH+]1CCCC1 ZINC000419664436 381467049 /nfs/dbraw/zinc/46/70/49/381467049.db2.gz MJUBDIBCHZHKOQ-AWEZNQCLSA-N 2 0 340.468 -0.199 20 0 EBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000419683420 381471210 /nfs/dbraw/zinc/47/12/10/381471210.db2.gz KSPCUQSSCAKRLQ-CQSZACIVSA-N 2 0 338.452 -0.432 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000419852996 381508443 /nfs/dbraw/zinc/50/84/43/381508443.db2.gz AKPAHVITHLPAGL-CABCVRRESA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000419892129 381518985 /nfs/dbraw/zinc/51/89/85/381518985.db2.gz NXMZHQSQGBOBCF-HZSPNIEDSA-N 2 0 326.441 -0.530 20 0 EBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000419773697 381488763 /nfs/dbraw/zinc/48/87/63/381488763.db2.gz ZZFKAVIPXDOISG-UONOGXRCSA-N 2 0 328.457 -0.201 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000419735348 381492474 /nfs/dbraw/zinc/49/24/74/381492474.db2.gz WCPHKPVHGOQXEK-GJZGRUSLSA-N 2 0 334.420 -0.361 20 0 EBADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419782512 381493690 /nfs/dbraw/zinc/49/36/90/381493690.db2.gz UIWUWBJXLOUCKW-QWHCGFSZSA-N 2 0 326.441 -0.591 20 0 EBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000419785604 381495010 /nfs/dbraw/zinc/49/50/10/381495010.db2.gz SPJUOOXVLMJTNP-MCIONIFRSA-N 2 0 328.457 -0.202 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000419814310 381497763 /nfs/dbraw/zinc/49/77/63/381497763.db2.gz HGOYOMDFBRVPAQ-SOUVJXGZSA-N 2 0 339.484 -0.805 20 0 EBADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCCC[NH3+] ZINC000419840169 381500988 /nfs/dbraw/zinc/50/09/88/381500988.db2.gz RVAXLYRVFLPGFL-SFHVURJKSA-N 2 0 348.447 -0.453 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000419837281 381501677 /nfs/dbraw/zinc/50/16/77/381501677.db2.gz WMYWLUMMVASIRP-RBSFLKMASA-N 2 0 339.484 -0.805 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000419836858 381501950 /nfs/dbraw/zinc/50/19/50/381501950.db2.gz CIYQMIQVPCOIQF-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419987853 381525333 /nfs/dbraw/zinc/52/53/33/381525333.db2.gz YXEAIEWKGRGGNZ-MCIONIFRSA-N 2 0 328.457 -0.426 20 0 EBADRP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000420300009 381578462 /nfs/dbraw/zinc/57/84/62/381578462.db2.gz CBIPENWQEYSURE-KXNHARMFSA-N 2 0 349.435 -0.703 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000420125130 381556790 /nfs/dbraw/zinc/55/67/90/381556790.db2.gz QHKYXVTZEKVNKA-UHFFFAOYSA-N 2 0 328.457 -0.471 20 0 EBADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420190027 381563509 /nfs/dbraw/zinc/56/35/09/381563509.db2.gz FNCXTBCIPJUXHG-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000420192459 381566692 /nfs/dbraw/zinc/56/66/92/381566692.db2.gz BIALDHGYLXUDQQ-LSDHHAIUSA-N 2 0 338.452 -0.432 20 0 EBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)CCOC2C[NH2+]C2)c1 ZINC000571921234 381627017 /nfs/dbraw/zinc/62/70/17/381627017.db2.gz IAIBGLZQNWYYEJ-UHFFFAOYSA-N 2 0 342.421 -0.759 20 0 EBADRP CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262166055 381673277 /nfs/dbraw/zinc/67/32/77/381673277.db2.gz QCYOVOWIOGTSFE-ZDUSSCGKSA-N 2 0 332.470 -0.788 20 0 EBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000572234643 381651129 /nfs/dbraw/zinc/65/11/29/381651129.db2.gz URAIEYBTVKZTFM-KBPBESRZSA-N 2 0 325.457 -0.970 20 0 EBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)CC1 ZINC000332029822 381741365 /nfs/dbraw/zinc/74/13/65/381741365.db2.gz SMJNBGOEBXMWEY-OAHLLOKOSA-N 2 0 339.484 -0.709 20 0 EBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000332278960 381774519 /nfs/dbraw/zinc/77/45/19/381774519.db2.gz HUMMVEIFJVUOFA-OAHLLOKOSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CCO1 ZINC000643492790 381821697 /nfs/dbraw/zinc/82/16/97/381821697.db2.gz FZRGHYXAKPSEAL-ZNMIVQPWSA-N 2 0 338.452 -0.352 20 0 EBADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000333252894 381901435 /nfs/dbraw/zinc/90/14/35/381901435.db2.gz KQTXIUXFCQDNFG-CABCVRRESA-N 2 0 341.500 -0.281 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CCO1 ZINC000643498771 381905192 /nfs/dbraw/zinc/90/51/92/381905192.db2.gz TWIIUUOCZDSWCZ-KKUMJFAQSA-N 2 0 338.452 -0.352 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000333468132 381924391 /nfs/dbraw/zinc/92/43/91/381924391.db2.gz DASRQGOJKNFXBZ-CVEARBPZSA-N 2 0 339.484 -0.214 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000643509547 381927962 /nfs/dbraw/zinc/92/79/62/381927962.db2.gz PHBVVUOGUIZANL-HUUCEWRRSA-N 3 0 339.484 -0.851 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000626937767 381960966 /nfs/dbraw/zinc/96/09/66/381960966.db2.gz YNCVMFDAOCANCT-HNNXBMFYSA-N 2 0 327.473 -0.308 20 0 EBADRP [NH3+]CCOc1ccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000626915700 381940443 /nfs/dbraw/zinc/94/04/43/381940443.db2.gz WZYQKDWVLPBBRQ-ZDUSSCGKSA-N 2 0 336.392 -0.855 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC[NH2+]1 ZINC000643513543 381995793 /nfs/dbraw/zinc/99/57/93/381995793.db2.gz LKTVHJSXAIOKIQ-HUUCEWRRSA-N 2 0 337.468 -0.955 20 0 EBADRP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430574899 382021793 /nfs/dbraw/zinc/02/17/93/382021793.db2.gz TXYGHKUPIXNCBD-CYBMUJFWSA-N 2 0 340.468 -0.058 20 0 EBADRP CC[NH+]1CCN(CC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000444577180 382152187 /nfs/dbraw/zinc/15/21/87/382152187.db2.gz WLBHWXXXFYMSSP-HNNXBMFYSA-N 2 0 326.485 -0.073 20 0 EBADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@H](O)C[NH+](C)C ZINC000445536642 382168080 /nfs/dbraw/zinc/16/80/80/382168080.db2.gz FDTFPOMBVWUYLV-AWEZNQCLSA-N 2 0 336.436 -0.232 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000339962418 284978721 /nfs/dbraw/zinc/97/87/21/284978721.db2.gz CTWUIYXZQZXNBV-UHFFFAOYSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(=O)N1CCN(C(=O)C[NH+]2CCC(OCCC[NH3+])CC2)CC1 ZINC000321764860 155181131 /nfs/dbraw/zinc/18/11/31/155181131.db2.gz SEUUPXWVVZCCTO-UHFFFAOYSA-N 2 0 326.441 -0.493 20 0 EBADRP COCC1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC[NH2+]CC1 ZINC000358847236 292217555 /nfs/dbraw/zinc/21/75/55/292217555.db2.gz MJNCKHHXOZNONL-ZDUSSCGKSA-N 2 0 326.441 -0.541 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000106534714 154090526 /nfs/dbraw/zinc/09/05/26/154090526.db2.gz HRXGNIXZQKJDRX-HNNXBMFYSA-N 2 0 329.489 -0.110 20 0 EBADRP CNC(=O)CC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000170792653 154092518 /nfs/dbraw/zinc/09/25/18/154092518.db2.gz MKNXHNFHPQKASV-CQSZACIVSA-N 2 0 328.457 -0.473 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@@H]3C[NH2+]CCO3)CC2)C1 ZINC000178885482 154120995 /nfs/dbraw/zinc/12/09/95/154120995.db2.gz VLDOJDRYEABCKF-CVEARBPZSA-N 2 0 340.468 -0.772 20 0 EBADRP OC[C@@H]1C[C@H](O)C[NH+]1Cc1ccccc1C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000186483406 154143778 /nfs/dbraw/zinc/14/37/78/154143778.db2.gz GJQHAADKPRYVDZ-XSLAGTTESA-N 2 0 336.432 -0.458 20 0 EBADRP COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000262268802 154221966 /nfs/dbraw/zinc/22/19/66/154221966.db2.gz YHJRHVWAQULLAQ-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H]1OCCN[C@@H]1C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000262419045 154230498 /nfs/dbraw/zinc/23/04/98/154230498.db2.gz ZWYPIEZPCVXAOO-CJNGLKHVSA-N 2 0 348.447 -0.029 20 0 EBADRP [NH3+]CC(=O)NCC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000262475464 154233177 /nfs/dbraw/zinc/23/31/77/154233177.db2.gz ZOZXNULAYSHXTH-UHFFFAOYSA-N 2 0 326.441 -0.540 20 0 EBADRP CO[C@H](C[NH3+])CC(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000262826930 154248871 /nfs/dbraw/zinc/24/88/71/154248871.db2.gz HLNYOVKGIJNFKV-HNNXBMFYSA-N 2 0 336.436 -0.042 20 0 EBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000342702813 156052935 /nfs/dbraw/zinc/05/29/35/156052935.db2.gz ZRRRZRXYSJPYLV-CQSZACIVSA-N 2 0 328.457 -0.343 20 0 EBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000343284781 156119651 /nfs/dbraw/zinc/11/96/51/156119651.db2.gz HRNKHMHRDLPZOO-UHFFFAOYSA-N 2 0 340.468 -0.234 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000343635292 156148133 /nfs/dbraw/zinc/14/81/33/156148133.db2.gz HMLVKDOGSJWFNZ-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000343864476 156175635 /nfs/dbraw/zinc/17/56/35/156175635.db2.gz QMOSAARRKACFIS-IAGOWNOFSA-N 2 0 337.512 -0.234 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C)C1 ZINC000343880135 156175846 /nfs/dbraw/zinc/17/58/46/156175846.db2.gz ATKINHUBADWNNH-HNNXBMFYSA-N 2 0 342.484 -0.131 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000343912531 156187835 /nfs/dbraw/zinc/18/78/35/156187835.db2.gz NJUXPOXKCBOMKX-RDBSUJKOSA-N 2 0 326.441 -0.578 20 0 EBADRP C[C@@H]1C[N@H+](C[C@H](O)CN2CCOCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343916137 156188159 /nfs/dbraw/zinc/18/81/59/156188159.db2.gz AZCMYAUAAARBKV-KURKYZTESA-N 2 0 340.512 -0.363 20 0 EBADRP CC(=O)N1CCN(C(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C)CC1 ZINC000344028312 156199829 /nfs/dbraw/zinc/19/98/29/156199829.db2.gz MYBISKHPRHAAOI-UHFFFAOYSA-N 2 0 341.500 -0.508 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1(C[NH3+])CCOCC1 ZINC000344441750 156229560 /nfs/dbraw/zinc/22/95/60/156229560.db2.gz OIMIRDBZTXTOCS-AWEZNQCLSA-N 2 0 340.468 -0.199 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](CCO)CC2)C[C@H]1[NH+](C)C ZINC000344632161 156249704 /nfs/dbraw/zinc/24/97/04/156249704.db2.gz QURUFSNGDHWNMZ-DZGCQCFKSA-N 2 0 340.468 -0.785 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000355882818 157030906 /nfs/dbraw/zinc/03/09/06/157030906.db2.gz SQCQUZQXCAFMCL-UHFFFAOYSA-N 2 0 328.457 -0.471 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000356442889 157067189 /nfs/dbraw/zinc/06/71/89/157067189.db2.gz CNINUEKPWTTZKJ-HNNXBMFYSA-N 2 0 342.484 -0.083 20 0 EBADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CC[C@H]3C[NH2+]C[C@@H]3C1)c(=O)n2C ZINC000357093875 157118589 /nfs/dbraw/zinc/11/85/89/157118589.db2.gz ZDWJQHVKXPDIES-QWHCGFSZSA-N 2 0 346.435 -0.635 20 0 EBADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000358089437 157209276 /nfs/dbraw/zinc/20/92/76/157209276.db2.gz HJYSLWPFCRMQEN-KRWDZBQOSA-N 2 0 334.420 -0.131 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000358583015 157264171 /nfs/dbraw/zinc/26/41/71/157264171.db2.gz YZLUJYWFOSRMHI-UHFFFAOYSA-N 2 0 340.468 -0.232 20 0 EBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCC[N@H+](C)CCOC)C1 ZINC000358577448 157264517 /nfs/dbraw/zinc/26/45/17/157264517.db2.gz XHQNJODWMVHHTM-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCCN1CCOC[C@@H]1C ZINC000359264457 157308016 /nfs/dbraw/zinc/30/80/16/157308016.db2.gz OXIYPHHBPUWXKI-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359269889 157308294 /nfs/dbraw/zinc/30/82/94/157308294.db2.gz DNJCXMFROHNMSB-TXEJJXNPSA-N 2 0 338.433 -0.186 20 0 EBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCOCC[NH+](C)C ZINC000360271685 157370324 /nfs/dbraw/zinc/37/03/24/157370324.db2.gz KLZYDSNQLZIWFU-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000360279727 157371528 /nfs/dbraw/zinc/37/15/28/157371528.db2.gz PYQZYLMZZWUXQO-UHFFFAOYSA-N 2 0 340.468 -0.232 20 0 EBADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CC[C@]3(CC[NH2+]C3)C1)c(=O)n2C ZINC000360533657 157384161 /nfs/dbraw/zinc/38/41/61/157384161.db2.gz AYNNEEXGTZEMRJ-KRWDZBQOSA-N 2 0 346.435 -0.491 20 0 EBADRP [NH2+]=C(NCCCN1CCOCC1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000360570974 157386858 /nfs/dbraw/zinc/38/68/58/157386858.db2.gz BWHKZVOEUSRSMY-GJZGRUSLSA-N 2 0 325.457 -0.314 20 0 EBADRP CN1CCN(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)[C@H](C[NH3+])C1 ZINC000517225045 418956079 /nfs/dbraw/zinc/95/60/79/418956079.db2.gz VLKOSKZUNVINLV-ZJUUUORDSA-N 2 0 337.346 -0.566 20 0 EBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@H](N)CC[NH+](C)C)c1 ZINC000653114064 418988104 /nfs/dbraw/zinc/98/81/04/418988104.db2.gz XCJMMXZRLKFDIV-MRXNPFEDSA-N 2 0 349.479 -0.127 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C[C@]1(C(=O)N(C)CC(C)(C)[NH3+])CC[NH2+]C1 ZINC000662845615 419002247 /nfs/dbraw/zinc/00/22/47/419002247.db2.gz WFQGZIFZIUCJLQ-QGZVFWFLSA-N 3 0 341.500 -0.252 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000650895587 419084464 /nfs/dbraw/zinc/08/44/64/419084464.db2.gz APRITTOBMKYCDJ-AWEZNQCLSA-N 2 0 341.456 -0.878 20 0 EBADRP O=C(C[C@H]1CSCC[NH2+]1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000644135056 419104595 /nfs/dbraw/zinc/10/45/95/419104595.db2.gz HRNIRTAEPDVLGY-ZENOOKHLSA-N 2 0 340.493 -0.156 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000653261681 419057298 /nfs/dbraw/zinc/05/72/98/419057298.db2.gz VZJGKIQIRPWHTP-KQTLUZQSSA-N 2 0 340.468 -0.027 20 0 EBADRP C[C@H](NC(=O)C(=O)NCCC1(C[NH3+])CC1)[C@H](C)N1CCOCC1 ZINC000652690489 419062179 /nfs/dbraw/zinc/06/21/79/419062179.db2.gz IVRVQXUGPUIRQK-STQMWFEESA-N 2 0 326.441 -0.543 20 0 EBADRP Cc1c(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])coc1C(=O)N(C)C ZINC000647323911 419075052 /nfs/dbraw/zinc/07/50/52/419075052.db2.gz DIHZYDPAUGZZQP-UHFFFAOYSA-N 2 0 346.453 -0.022 20 0 EBADRP C[N@H+](C[C@@H](O)CN[C@H]1CC[NH+](CCN2CCOCC2)C1)C1CC1 ZINC000644569758 419170059 /nfs/dbraw/zinc/17/00/59/419170059.db2.gz UNWUUZPFORBIBD-RDJZCZTQSA-N 2 0 326.485 -0.562 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCCCC2)C[C@H]1C[NH3+] ZINC000652672215 419247358 /nfs/dbraw/zinc/24/73/58/419247358.db2.gz BIVVXTMWSFTBSE-HUUCEWRRSA-N 2 0 340.468 -0.199 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)C[C@H]1C[NH3+] ZINC000652679751 419250558 /nfs/dbraw/zinc/25/05/58/419250558.db2.gz MONXRVSPCUSPRV-CHWSQXEVSA-N 2 0 326.441 -0.591 20 0 EBADRP [NH3+]CC1(CCNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000652153441 419229198 /nfs/dbraw/zinc/22/91/98/419229198.db2.gz JQKGNDHUFNXXNN-HNNXBMFYSA-N 2 0 339.484 -0.179 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000652624069 419241231 /nfs/dbraw/zinc/24/12/31/419241231.db2.gz YUCRQZXTBNFLML-OCCSQVGLSA-N 2 0 334.424 -0.406 20 0 EBADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000652621641 419241789 /nfs/dbraw/zinc/24/17/89/419241789.db2.gz QFDGMFUOVRQBNG-GFCCVEGCSA-N 2 0 336.440 -0.031 20 0 EBADRP CC[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[C@H]1[NH3+] ZINC000652623401 419242086 /nfs/dbraw/zinc/24/20/86/419242086.db2.gz HYIYIIPDCAMJQS-TZMCWYRMSA-N 2 0 336.440 -0.031 20 0 EBADRP COCCN1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000411034012 419286794 /nfs/dbraw/zinc/28/67/94/419286794.db2.gz WTCQRFBZIPHJTA-OAHLLOKOSA-N 2 0 340.468 -0.282 20 0 EBADRP CC(=O)NCCN(C)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000645234078 419300814 /nfs/dbraw/zinc/30/08/14/419300814.db2.gz NIUKICFQBLUQGR-CQSZACIVSA-N 2 0 325.457 -0.068 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N(CC)CCC[NH+](C)C)C[C@H]1C[NH3+] ZINC000652730070 419327250 /nfs/dbraw/zinc/32/72/50/419327250.db2.gz HLIXGKRSBMAVAC-ZIAGYGMSSA-N 2 0 328.457 -0.391 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000340576242 419364015 /nfs/dbraw/zinc/36/40/15/419364015.db2.gz JDNCWJCJRHURBG-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000519827293 419547465 /nfs/dbraw/zinc/54/74/65/419547465.db2.gz YRBAOELNVPIRNJ-QZTJIDSGSA-N 2 0 346.475 -0.015 20 0 EBADRP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC3C[NH2+]C3)c2)CC1 ZINC000518935066 419509164 /nfs/dbraw/zinc/50/91/64/419509164.db2.gz SQHBFNJEAFTBGY-UHFFFAOYSA-N 2 0 331.420 -0.145 20 0 EBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000332278959 419584658 /nfs/dbraw/zinc/58/46/58/419584658.db2.gz HUMMVEIFJVUOFA-HNNXBMFYSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000659643280 419643867 /nfs/dbraw/zinc/64/38/67/419643867.db2.gz PUQXMXRNPVSIGY-IHRRRGAJSA-N 2 0 325.457 -0.116 20 0 EBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000659710752 419774439 /nfs/dbraw/zinc/77/44/39/419774439.db2.gz UFUXBDVZZOHRSG-HUUCEWRRSA-N 2 0 341.500 -0.524 20 0 EBADRP CC(C)[NH2+]CCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659711603 419774912 /nfs/dbraw/zinc/77/49/12/419774912.db2.gz BCFLFMCDQSGXRT-HNNXBMFYSA-N 2 0 340.468 -0.140 20 0 EBADRP C[NH2+]CCNC(=O)C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000419880093 419814615 /nfs/dbraw/zinc/81/46/15/419814615.db2.gz UEHNAWOTYPXBPK-UHFFFAOYSA-N 2 0 339.484 -0.661 20 0 EBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000419879550 419815170 /nfs/dbraw/zinc/81/51/70/419815170.db2.gz ZBYSENARLXRWOL-HNNXBMFYSA-N 2 0 337.468 -0.905 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@@H](C)O1 ZINC000419932306 419825922 /nfs/dbraw/zinc/82/59/22/419825922.db2.gz DOFOIIGIZCADHP-RBSFLKMASA-N 2 0 340.468 -0.140 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@H](C)CC[NH3+])C1 ZINC000420009044 419827962 /nfs/dbraw/zinc/82/79/62/419827962.db2.gz VFZIWIHWEBGXIG-KGLIPLIRSA-N 2 0 328.457 -0.201 20 0 EBADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000420006051 419828319 /nfs/dbraw/zinc/82/83/19/419828319.db2.gz XOQPXUVPGZGIHS-AWEZNQCLSA-N 2 0 328.457 -0.281 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000420008635 419829073 /nfs/dbraw/zinc/82/90/73/419829073.db2.gz DKJPBZIZRVHEES-ZIAGYGMSSA-N 2 0 328.457 -0.345 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420024582 419838063 /nfs/dbraw/zinc/83/80/63/419838063.db2.gz AOQIRGQSTPPYEA-UONOGXRCSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000420064846 419838748 /nfs/dbraw/zinc/83/87/48/419838748.db2.gz OYEJTXXDLPDFPZ-YNEHKIRRSA-N 2 0 326.441 -0.374 20 0 EBADRP C[C@@H]1C[C@@H](C)[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1C[NH3+] ZINC000422636694 419904613 /nfs/dbraw/zinc/90/46/13/419904613.db2.gz NMVTYPJHWVVVBT-UPJWGTAASA-N 2 0 348.451 -0.261 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423211713 419922182 /nfs/dbraw/zinc/92/21/82/419922182.db2.gz LFXQSMUUSJHOQG-HNNXBMFYSA-N 2 0 340.468 -0.247 20 0 EBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000423305175 419934365 /nfs/dbraw/zinc/93/43/65/419934365.db2.gz BGIRDJYDHNSREU-AWEZNQCLSA-N 2 0 345.403 -0.131 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000423260887 419926565 /nfs/dbraw/zinc/92/65/65/419926565.db2.gz IPTJDRIRESMVQX-KKUMJFAQSA-N 2 0 340.468 -0.391 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CS(=O)(=O)NC ZINC000083605124 419984920 /nfs/dbraw/zinc/98/49/20/419984920.db2.gz SQIFSDAROUGCSX-CYBMUJFWSA-N 2 0 334.486 -0.590 20 0 EBADRP C[NH+](C)[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCOCC2)C1 ZINC000659816414 420522278 /nfs/dbraw/zinc/52/22/78/420522278.db2.gz DNKFYSLBGWNMNW-GJZGRUSLSA-N 2 0 338.452 -0.528 20 0 EBADRP CCO[C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000659318571 420529528 /nfs/dbraw/zinc/52/95/28/420529528.db2.gz HGHWMAOTXZDKNA-OAHLLOKOSA-N 2 0 342.484 -0.034 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](N(C)Cc2cc(=O)[nH]c(N)n2)C1 ZINC000331250292 420630989 /nfs/dbraw/zinc/63/09/89/420630989.db2.gz SEYRIIXBUJNNMF-ZDUSSCGKSA-N 2 0 336.440 0.137 20 0 EBADRP CC(C)(C)OC(=O)NCCNC(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2 ZINC000496866728 420650516 /nfs/dbraw/zinc/65/05/16/420650516.db2.gz UUJYZTRWVPCQBV-GFCCVEGCSA-N 2 0 326.445 -0.375 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000516570618 420661008 /nfs/dbraw/zinc/66/10/08/420661008.db2.gz CGSQAFGSFSMGAT-OLZOCXBDSA-N 2 0 349.435 -0.019 20 0 EBADRP CNC(=O)[C@H]1CCC[N@@H+]1CCOCC[NH+]1CCC[C@H]1C(=O)NC ZINC000178612680 420691218 /nfs/dbraw/zinc/69/12/18/420691218.db2.gz UPBBAACUDZPSCH-OKILXGFUSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+]1CCN(c2ncccc2CNC(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000285909008 420705881 /nfs/dbraw/zinc/70/58/81/420705881.db2.gz DIIZYXFOXFRHBU-OAHLLOKOSA-N 2 0 333.436 -0.172 20 0 EBADRP O=C(NCC[C@@H]1CC[NH2+]C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529330531 420763529 /nfs/dbraw/zinc/76/35/29/420763529.db2.gz HAPGCAOAIAGYMY-AWEZNQCLSA-N 2 0 338.456 -0.662 20 0 EBADRP O=C(NC[C@@H]1CCCC[NH2+]1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529330459 420763541 /nfs/dbraw/zinc/76/35/41/420763541.db2.gz POYAMDLTNSFHDR-AWEZNQCLSA-N 2 0 338.456 -0.519 20 0 EBADRP O=C(NCC[C@H]1CC[NH2+]C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529330532 420763896 /nfs/dbraw/zinc/76/38/96/420763896.db2.gz HAPGCAOAIAGYMY-CQSZACIVSA-N 2 0 338.456 -0.662 20 0 EBADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529391028 420764377 /nfs/dbraw/zinc/76/43/77/420764377.db2.gz XBLWSLRJAQFSTG-RRFJBIMHSA-N 2 0 326.441 -0.097 20 0 EBADRP CCN1CCO[C@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)C1 ZINC000529753468 420771820 /nfs/dbraw/zinc/77/18/20/420771820.db2.gz RLFWRWMABXDRTR-WMLDXEAASA-N 2 0 341.452 -0.561 20 0 EBADRP C[NH+](C)CCN1CCN(C(=O)NCCC[NH+]2CCCC2)CC1=O ZINC000649493561 420810076 /nfs/dbraw/zinc/81/00/76/420810076.db2.gz RKQQFLLLAVYNKH-UHFFFAOYSA-N 2 0 325.457 -0.112 20 0 EBADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655956425 420860655 /nfs/dbraw/zinc/86/06/55/420860655.db2.gz ZRWYXUNGRGZCAF-UONOGXRCSA-N 2 0 332.404 -0.378 20 0 EBADRP O=C(NCC[N@@H+]1CCCOCC1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000655971722 420861225 /nfs/dbraw/zinc/86/12/25/420861225.db2.gz DYVKLLGDKUJOSB-JKSUJKDBSA-N 2 0 340.468 -0.051 20 0 EBADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656022481 420866521 /nfs/dbraw/zinc/86/65/21/420866521.db2.gz HHOYTDDVVMDEKD-FVCCEPFGSA-N 2 0 326.441 -0.328 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NCC1CC[NH2+]CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656020706 420867450 /nfs/dbraw/zinc/86/74/50/420867450.db2.gz VNSXDWCVZOMKFZ-MELADBBJSA-N 2 0 340.468 -0.284 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656041326 420868234 /nfs/dbraw/zinc/86/82/34/420868234.db2.gz QNULIXVMAUFJFC-XDQVBPFNSA-N 2 0 326.441 -0.579 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656025382 420868480 /nfs/dbraw/zinc/86/84/80/420868480.db2.gz JCFOTODKLMKCOT-KBPBESRZSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656040600 420869164 /nfs/dbraw/zinc/86/91/64/420869164.db2.gz MKJWXYYWXCZIPL-RYPNDVFKSA-N 2 0 340.468 -0.191 20 0 EBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656040651 420869361 /nfs/dbraw/zinc/86/93/61/420869361.db2.gz NOQXWWHDSJLKLE-KBXIAJHMSA-N 2 0 340.468 -0.189 20 0 EBADRP CCN1C[C@H](C)N(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@H]1C ZINC000656076659 420873988 /nfs/dbraw/zinc/87/39/88/420873988.db2.gz FNOZXIJPFYXBFL-CBBWQLFWSA-N 2 0 338.452 -0.795 20 0 EBADRP C[C@H]1C[C@@H](N(C)C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@@H+]1C ZINC000656077350 420876852 /nfs/dbraw/zinc/87/68/52/420876852.db2.gz UEMZYMVEVONNFR-ZQDZILKHSA-N 2 0 338.452 -0.795 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656308989 420886993 /nfs/dbraw/zinc/88/69/93/420886993.db2.gz KFEFDVPHENABSH-KFWWJZLASA-N 2 0 340.468 -0.330 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)C1CCCC1 ZINC000656311167 420890382 /nfs/dbraw/zinc/89/03/82/420890382.db2.gz KDNASZWSRUQFIG-LSDHHAIUSA-N 2 0 338.452 -0.746 20 0 EBADRP O=C(NCCCN1CC[NH2+]CC1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659506815 421002273 /nfs/dbraw/zinc/00/22/73/421002273.db2.gz WRDOIKJRANUBFB-INIZCTEOSA-N 2 0 339.484 -0.166 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000659549516 421003750 /nfs/dbraw/zinc/00/37/50/421003750.db2.gz LUEDOSCAOCNCTA-ZDUSSCGKSA-N 2 0 329.445 -0.974 20 0 EBADRP O=C(NCC12CC(C1)C[NH2+]2)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000659610384 421005142 /nfs/dbraw/zinc/00/51/42/421005142.db2.gz HODGSTJMEIUSSZ-UUCFBXCCSA-N 2 0 335.452 -0.408 20 0 EBADRP O=C(NCC12CC(C1)C[NH2+]2)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000659610385 421005245 /nfs/dbraw/zinc/00/52/45/421005245.db2.gz HODGSTJMEIUSSZ-XOYHFGRZSA-N 2 0 335.452 -0.408 20 0 EBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@@H](C)C1 ZINC000659628987 421006342 /nfs/dbraw/zinc/00/63/42/421006342.db2.gz BKYBIQXUNSQXRK-WDEREUQCSA-N 2 0 338.412 -0.763 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CCCO1 ZINC000659676517 421013328 /nfs/dbraw/zinc/01/33/28/421013328.db2.gz GVPUYJSNRAQHKJ-MGPQQGTHSA-N 2 0 344.431 -0.499 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000659706694 421017348 /nfs/dbraw/zinc/01/73/48/421017348.db2.gz AHPYWVKJULICJD-GFCCVEGCSA-N 2 0 328.457 -0.284 20 0 EBADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000659713018 421017901 /nfs/dbraw/zinc/01/79/01/421017901.db2.gz AAUZUNXDPVMEIU-GJZGRUSLSA-N 2 0 338.452 -0.386 20 0 EBADRP CCC[NH2+]CCNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000659711965 421018622 /nfs/dbraw/zinc/01/86/22/421018622.db2.gz HBLRJUMETMEVTB-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CCO1 ZINC000659713580 421019812 /nfs/dbraw/zinc/01/98/12/421019812.db2.gz GEJRLAMZAYULJC-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000659720913 421020760 /nfs/dbraw/zinc/02/07/60/421020760.db2.gz BRGJUIWQMJBDKR-RBSFLKMASA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659725348 421023241 /nfs/dbraw/zinc/02/32/41/421023241.db2.gz ZSAYKFMLJDXINN-BPLDGKMQSA-N 2 0 338.452 -0.530 20 0 EBADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659730502 421024776 /nfs/dbraw/zinc/02/47/76/421024776.db2.gz XLJMCSWKCKMYRE-ZFWWWQNUSA-N 2 0 338.452 -0.386 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000659749681 421029062 /nfs/dbraw/zinc/02/90/62/421029062.db2.gz ANZBBDKZNJKTBQ-UONOGXRCSA-N 2 0 326.441 -0.719 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000659754713 421029911 /nfs/dbraw/zinc/02/99/11/421029911.db2.gz GXQHDVUYMPSXCR-GJZGRUSLSA-N 2 0 339.484 -0.661 20 0 EBADRP CN(CCC[NH+](C)C)CCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000662857542 421104819 /nfs/dbraw/zinc/10/48/19/421104819.db2.gz OJOVQBCWPYIUIX-UHFFFAOYSA-N 2 0 336.484 -0.039 20 0 EBADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000662951569 421116177 /nfs/dbraw/zinc/11/61/77/421116177.db2.gz MMGCCORNYPZEJO-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000662949577 421116291 /nfs/dbraw/zinc/11/62/91/421116291.db2.gz CAHZYZVUHDCOSE-KGLIPLIRSA-N 2 0 326.441 -0.624 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC[NH2+]CC2)CCO1 ZINC000662954712 421117366 /nfs/dbraw/zinc/11/73/66/421117366.db2.gz NPFMQLZWHUWOKG-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP C[C@H](NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[C@H]1CN(C)CCO1 ZINC000664489385 421156738 /nfs/dbraw/zinc/15/67/38/421156738.db2.gz ADRYOWYQXYZPKF-CWRNSKLLSA-N 2 0 340.468 -0.054 20 0 EBADRP C[NH+](C)[C@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@@H]1O ZINC000664473636 421157661 /nfs/dbraw/zinc/15/76/61/421157661.db2.gz TZYWQXPVSCTTAI-UGUYLWEFSA-N 2 0 340.468 -0.320 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000664957245 421166630 /nfs/dbraw/zinc/16/66/30/421166630.db2.gz CTESSKUFNUUGMP-UHFFFAOYSA-N 2 0 343.472 -0.630 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000448484719 421192343 /nfs/dbraw/zinc/19/23/43/421192343.db2.gz FVIBDVMKGTXEJX-ZIAGYGMSSA-N 2 0 348.451 0.126 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)n1 ZINC000626850302 421192723 /nfs/dbraw/zinc/19/27/23/421192723.db2.gz CRCCRZJUDXGIJD-LBPRGKRZSA-N 2 0 334.424 -0.216 20 0 EBADRP CC1(C)CN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC[NH2+]1 ZINC000415813661 421230138 /nfs/dbraw/zinc/23/01/38/421230138.db2.gz GJGSIENGEAIQTL-UHFFFAOYSA-N 2 0 328.376 0.416 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCNC1=O ZINC000665337642 421209958 /nfs/dbraw/zinc/20/99/58/421209958.db2.gz QGZHRJVLHNJRGH-KGLIPLIRSA-N 2 0 325.457 -0.068 20 0 EBADRP CCN1CCO[C@@H](C(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000353369262 421282851 /nfs/dbraw/zinc/28/28/51/421282851.db2.gz RWDWFZKUBNDCJW-CQSZACIVSA-N 2 0 337.424 -0.126 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CCCO1 ZINC000418883880 264838305 /nfs/dbraw/zinc/83/83/05/264838305.db2.gz VTOYAWRYFVWOIT-CABCVRRESA-N 2 0 340.468 -0.138 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000423262673 264993047 /nfs/dbraw/zinc/99/30/47/264993047.db2.gz NCRYASCLOCNRJJ-LSDHHAIUSA-N 2 0 342.484 -0.001 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[NH2+]C[C@H]3C)CC2)c1 ZINC000423615332 265021029 /nfs/dbraw/zinc/02/10/29/265021029.db2.gz YTWHYCBVNBXZFV-CYBMUJFWSA-N 2 0 347.419 -0.441 20 0 EBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000424064319 265048565 /nfs/dbraw/zinc/04/85/65/265048565.db2.gz ZDIQRVAUGVXZNV-CHWSQXEVSA-N 2 0 348.451 -0.196 20 0 EBADRP O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000424155082 265049583 /nfs/dbraw/zinc/04/95/83/265049583.db2.gz NFHONHCFPQOJAT-CABCVRRESA-N 2 0 348.451 -0.003 20 0 EBADRP O=C(c1c[nH]nc1[C@H]1CCC[NH2+]C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000424179722 265050011 /nfs/dbraw/zinc/05/00/11/265050011.db2.gz TZPOBYZUWUBHCP-KBPBESRZSA-N 2 0 332.452 -0.004 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424469130 265064405 /nfs/dbraw/zinc/06/44/05/265064405.db2.gz ZCNWNQRWOKPEIF-LSDHHAIUSA-N 2 0 338.456 -0.176 20 0 EBADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1=O ZINC000425307660 265091278 /nfs/dbraw/zinc/09/12/78/265091278.db2.gz BIQLCKBWRRUXQG-HOCLYGCPSA-N 2 0 342.484 -0.132 20 0 EBADRP Cn1cc(N2CC[C@H](NC(=O)CCC[NH+]3CCC([NH3+])CC3)C2=O)cn1 ZINC000433168673 265186272 /nfs/dbraw/zinc/18/62/72/265186272.db2.gz SXSKUOUVTCCOQC-HNNXBMFYSA-N 2 0 348.451 -0.155 20 0 EBADRP CN(C)S(=O)(=O)CCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436051361 265236583 /nfs/dbraw/zinc/23/65/83/265236583.db2.gz ASEUXGSPRGQTBA-ZDUSSCGKSA-N 2 0 334.486 -0.413 20 0 EBADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000436068157 265237807 /nfs/dbraw/zinc/23/78/07/265237807.db2.gz VPMNOBIICUZKCF-AWEZNQCLSA-N 2 0 326.441 -0.445 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000519771908 265643199 /nfs/dbraw/zinc/64/31/99/265643199.db2.gz YMTLJRIDNURBGX-IRXDYDNUSA-N 2 0 347.463 -0.225 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000420185313 272823639 /nfs/dbraw/zinc/82/36/39/272823639.db2.gz PCWBURGVNZWSNR-UONOGXRCSA-N 2 0 328.457 -0.425 20 0 EBADRP COC(=O)CNC(=O)CC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343985487 277062550 /nfs/dbraw/zinc/06/25/50/277062550.db2.gz PQWAMWAOSLHPDK-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000358722519 279361789 /nfs/dbraw/zinc/36/17/89/279361789.db2.gz OOVYMIQDJZTWDG-WBVHZDCISA-N 2 0 341.500 -0.374 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C[C@@H]1[NH3+] ZINC000332250147 279780691 /nfs/dbraw/zinc/78/06/91/279780691.db2.gz CGCPGAKEHZSXNB-ZFWWWQNUSA-N 2 0 338.452 -0.637 20 0 EBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C[C@@H]1C ZINC000354671782 290091463 /nfs/dbraw/zinc/09/14/63/290091463.db2.gz KANSJSQJPYBJPW-IHRRRGAJSA-N 2 0 326.441 -0.842 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000668657838 545728854 /nfs/dbraw/zinc/72/88/54/545728854.db2.gz YXBIGEWZOAICFQ-HNNXBMFYSA-N 2 0 338.452 -0.434 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000127929413 545745864 /nfs/dbraw/zinc/74/58/64/545745864.db2.gz PDACQPLBMRVDRH-AWEZNQCLSA-N 2 0 336.440 -0.064 20 0 EBADRP CCN(C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C)[C@@H]1CC[N@H+](CC)C1 ZINC000668891702 545783178 /nfs/dbraw/zinc/78/31/78/545783178.db2.gz CHNPCPXOSYCLLT-HUUCEWRRSA-N 2 0 339.484 -0.709 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000670878299 545861455 /nfs/dbraw/zinc/86/14/55/545861455.db2.gz MVAKOQMLWKGDJY-OAHLLOKOSA-N 2 0 339.484 -0.661 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000670435640 546007557 /nfs/dbraw/zinc/00/75/57/546007557.db2.gz PGLUKXSIUFHCLB-ILXRZTDVSA-N 2 0 337.468 -0.957 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000672884376 546123118 /nfs/dbraw/zinc/12/31/18/546123118.db2.gz ZRQYLEPRONGZTO-AWEZNQCLSA-N 2 0 328.457 -0.195 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676097110 546194679 /nfs/dbraw/zinc/19/46/79/546194679.db2.gz VCYGUIJQLLCGKN-UHFFFAOYSA-N 2 0 346.391 -0.100 20 0 EBADRP C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000676097420 546195123 /nfs/dbraw/zinc/19/51/23/546195123.db2.gz LUIUNOQILOYGED-ZDUSSCGKSA-N 2 0 336.440 -0.159 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1cc(C(N)=O)no1 ZINC000677019345 546222824 /nfs/dbraw/zinc/22/28/24/546222824.db2.gz AKSQSVWNOQHTKH-UHFFFAOYSA-N 2 0 326.401 -0.592 20 0 EBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3C[C@@H](O)C[C@H]3CO)C2)CC1 ZINC000680943088 546296157 /nfs/dbraw/zinc/29/61/57/546296157.db2.gz FTWKNOSKGNYWAS-QEJZJMRPSA-N 2 0 326.441 -0.708 20 0 EBADRP CN1CCC2(CC[NH+]([C@H]3CC(=O)N(CC[NH+](C)C)C3=O)CC2)C1=O ZINC000683617621 546352550 /nfs/dbraw/zinc/35/25/50/546352550.db2.gz AXLWJNUCZQFNIG-ZDUSSCGKSA-N 2 0 336.436 -0.380 20 0 EBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891559627 582558062 /nfs/dbraw/zinc/55/80/62/582558062.db2.gz GKPHPOOSMFNIRJ-BEAPCOKYSA-N 2 0 349.435 -0.200 20 0 EBADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891559630 582558189 /nfs/dbraw/zinc/55/81/89/582558189.db2.gz GKPHPOOSMFNIRJ-NGFQHRJXSA-N 2 0 349.435 -0.200 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000891563187 582558280 /nfs/dbraw/zinc/55/82/80/582558280.db2.gz AQCNZKBVUCLMER-QLFBSQMISA-N 2 0 325.457 -0.476 20 0 EBADRP CN1Cc2ccccc2[C@@H]1CNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000891970493 582564571 /nfs/dbraw/zinc/56/45/71/582564571.db2.gz LLGGIUUVRLNLPZ-HNNXBMFYSA-N 2 0 331.420 -0.096 20 0 EBADRP O=C(NCC[NH2+]C1CC1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000891984946 582565213 /nfs/dbraw/zinc/56/52/13/582565213.db2.gz PCGMRXVVLCFZIX-MRXNPFEDSA-N 2 0 339.484 -0.166 20 0 EBADRP COCC[NH2+]CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000892051660 582566521 /nfs/dbraw/zinc/56/65/21/582566521.db2.gz WATQRQWOZZTUTA-HUUCEWRRSA-N 3 0 329.489 -0.397 20 0 EBADRP O=C(N[C@H]1CCC[NH2+]CC1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892083596 582567295 /nfs/dbraw/zinc/56/72/95/582567295.db2.gz WDTFRTLCKBBZER-DGAVXFQQSA-N 2 0 337.424 -0.295 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2COCC[NH2+]2)C[C@H]1C[NH+](C)C ZINC000892292342 582573381 /nfs/dbraw/zinc/57/33/81/582573381.db2.gz AQAJQRDFDGIAQK-KFWWJZLASA-N 3 0 327.473 -0.644 20 0 EBADRP COCC[NH+]1CCC(NC(=O)NCC[NH+]2CCC(O)CC2)CC1 ZINC000892333475 582576834 /nfs/dbraw/zinc/57/68/34/582576834.db2.gz DNWFINRCDMIDMI-UHFFFAOYSA-N 2 0 328.457 -0.147 20 0 EBADRP C[C@@H]1CN(CCNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CCO1 ZINC000892594971 582583273 /nfs/dbraw/zinc/58/32/73/582583273.db2.gz DKDLWBVUKRPEML-BZUAXINKSA-N 2 0 340.468 -0.052 20 0 EBADRP CC(C)([NH3+])CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892845552 582589272 /nfs/dbraw/zinc/58/92/72/582589272.db2.gz HDYWJQYJKZNWHZ-TUAOUCFPSA-N 2 0 325.413 -0.310 20 0 EBADRP C[NH+](C)CCOCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000894367243 582629470 /nfs/dbraw/zinc/62/94/70/582629470.db2.gz RLTQLQTZHXYKRC-CABCVRRESA-N 2 0 328.457 -0.195 20 0 EBADRP C[C@H]1CC[N@H+](CCNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000897465591 582690083 /nfs/dbraw/zinc/69/00/83/582690083.db2.gz XRJKUJROPPVBPP-AWEZNQCLSA-N 2 0 325.457 -0.256 20 0 EBADRP CC[NH+]1CCN(CCCNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900191823 582764082 /nfs/dbraw/zinc/76/40/82/582764082.db2.gz GHACOUAAOQXLOI-KRWDZBQOSA-N 2 0 326.485 -0.023 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000900496256 582770447 /nfs/dbraw/zinc/77/04/47/582770447.db2.gz HHCHBDIAMZMTCN-GRDNDAEWSA-N 2 0 340.468 -0.500 20 0 EBADRP C[N@@H+]1CCC[C@](O)(CC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000900513332 582771227 /nfs/dbraw/zinc/77/12/27/582771227.db2.gz WQECGKCDDNTVDK-PBHICJAKSA-N 2 0 340.468 -0.463 20 0 EBADRP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000900559499 582772630 /nfs/dbraw/zinc/77/26/30/582772630.db2.gz AJBAPZRNQIZMQD-YOEHRIQHSA-N 2 0 338.452 -0.792 20 0 EBADRP CC(C)[NH+]1CCN(CCC(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000900658345 582777049 /nfs/dbraw/zinc/77/70/49/582777049.db2.gz GOWJWKPKDXOYPL-MRXNPFEDSA-N 2 0 325.501 -0.236 20 0 EBADRP CN1CC[NH+](CC2CCN(C(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)CC2)CC1 ZINC000900646135 582777559 /nfs/dbraw/zinc/77/75/59/582777559.db2.gz WBYZJZUKHACRDB-AEFFLSMTSA-N 2 0 338.496 -0.073 20 0 EBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900685607 582778835 /nfs/dbraw/zinc/77/88/35/582778835.db2.gz GIHLOMYVFPGKSL-RDJZCZTQSA-N 2 0 326.485 -0.025 20 0 EBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)N1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000903490961 582809225 /nfs/dbraw/zinc/80/92/25/582809225.db2.gz OSYAEUSBYJALRO-TVRNETQVSA-N 2 0 339.436 -0.166 20 0 EBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@H](C)C(=O)NC[C@H]1CCCO1)C2 ZINC000903493160 582809570 /nfs/dbraw/zinc/80/95/70/582809570.db2.gz VTGGPDJFIRSTHL-RFJMFJJWSA-N 2 0 339.436 -0.118 20 0 EBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000903529042 582810664 /nfs/dbraw/zinc/81/06/64/582810664.db2.gz DWBCEDBBRKYBQY-ZWNOBZJWSA-N 2 0 329.470 -0.052 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC000903586723 582812119 /nfs/dbraw/zinc/81/21/19/582812119.db2.gz VSPLFQFIRKBTGI-GJZGRUSLSA-N 2 0 330.498 -0.233 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000903875573 582822731 /nfs/dbraw/zinc/82/27/31/582822731.db2.gz FOGKXGSHSMDKEL-HOTGVXAUSA-N 2 0 342.484 -0.620 20 0 EBADRP Cc1c(C[C@H](C[NH3+])C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)cnn1C ZINC000903933936 582823756 /nfs/dbraw/zinc/82/37/56/582823756.db2.gz BKRAQCGRXBIHMU-CSMYWGQOSA-N 2 0 333.436 -0.169 20 0 EBADRP C[NH+]1CCC(O)(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000741085967 583069416 /nfs/dbraw/zinc/06/94/16/583069416.db2.gz ACOCENQNRVOFQR-UONOGXRCSA-N 2 0 326.441 -0.395 20 0 EBADRP C[NH+](C)CC(=O)N1CCN(C(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000760468488 583229010 /nfs/dbraw/zinc/22/90/10/583229010.db2.gz UZBHGSRFCIWXRU-UHFFFAOYSA-N 2 0 341.525 -0.092 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1cnccn1 ZINC000793486087 583566318 /nfs/dbraw/zinc/56/63/18/583566318.db2.gz RZNQJYLDSIKCEI-UHFFFAOYSA-N 2 0 336.440 -0.913 20 0 EBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804051659 583637241 /nfs/dbraw/zinc/63/72/41/583637241.db2.gz ASLZOAILRSKUBC-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000842165139 584059043 /nfs/dbraw/zinc/05/90/43/584059043.db2.gz TWSOKIZWEQEIPM-XGUBFFRZSA-N 2 0 336.436 -0.681 20 0 EBADRP COCCN1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000867314711 584069469 /nfs/dbraw/zinc/06/94/69/584069469.db2.gz QRAOSNKSUUIPRI-GJZGRUSLSA-N 2 0 338.452 -0.670 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC000867315738 584069727 /nfs/dbraw/zinc/06/97/27/584069727.db2.gz ODPUGUJKYZGEGO-RRFJBIMHSA-N 2 0 340.468 -0.569 20 0 EBADRP [NH3+]CC(=O)NCC(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000843336438 584076213 /nfs/dbraw/zinc/07/62/13/584076213.db2.gz YTULWYSXFCWXPC-NSHDSACASA-N 2 0 334.376 -0.391 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844181494 584090250 /nfs/dbraw/zinc/09/02/50/584090250.db2.gz SHZFORZLUOBEGY-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C2=NO[C@H](C[NH3+])C2)c1 ZINC000852864064 584217980 /nfs/dbraw/zinc/21/79/80/584217980.db2.gz WAOJSIZBXCSNPJ-AWEZNQCLSA-N 2 0 347.419 -0.302 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000859223390 584297794 /nfs/dbraw/zinc/29/77/94/584297794.db2.gz VZPHZZXDJCIWGF-VWPFQQQWSA-N 2 0 339.436 -0.341 20 0 EBADRP [NH3+]C[C@H](NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)C1CC1 ZINC000861640624 584332251 /nfs/dbraw/zinc/33/22/51/584332251.db2.gz MZTNZVRTYNXNNO-MJBXVCDLSA-N 2 0 337.424 -0.310 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861653557 584332594 /nfs/dbraw/zinc/33/25/94/584332594.db2.gz CCMNERAMDWBDSE-UHTWSYAYSA-N 2 0 325.413 -0.439 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861703149 584333469 /nfs/dbraw/zinc/33/34/69/584333469.db2.gz HNHASZKFFFZENM-ASEORRQLSA-N 2 0 337.424 -0.297 20 0 EBADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000861732347 584335884 /nfs/dbraw/zinc/33/58/84/584335884.db2.gz JFZKVJOYMRYGSM-ZDUSSCGKSA-N 2 0 326.441 -0.530 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000861749573 584337330 /nfs/dbraw/zinc/33/73/30/584337330.db2.gz CSIZXYVCEWHEET-AEGPPILISA-N 2 0 338.452 -0.387 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000861773274 584338363 /nfs/dbraw/zinc/33/83/63/584338363.db2.gz KNDHMKHTMUIENZ-KGLIPLIRSA-N 2 0 327.473 -0.818 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000863761478 584377201 /nfs/dbraw/zinc/37/72/01/584377201.db2.gz IVJIPJKTOPURRU-UONOGXRCSA-N 2 0 326.441 -0.637 20 0 EBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000863772064 584378213 /nfs/dbraw/zinc/37/82/13/584378213.db2.gz FGALSVQFMSNBOJ-AWEZNQCLSA-N 2 0 340.468 -0.105 20 0 EBADRP COC(=O)[C@@H](C)CS(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867588919 584411882 /nfs/dbraw/zinc/41/18/82/584411882.db2.gz JLBCERFZQDYPHX-BFHYXJOUSA-N 2 0 349.497 -0.204 20 0 EBADRP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC[NH3+])cc2F)CC1 ZINC000868244158 584423347 /nfs/dbraw/zinc/42/33/47/584423347.db2.gz STORZOHLULEMLV-UHFFFAOYSA-N 2 0 337.399 -0.019 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@H]1C[NH+](C)C ZINC000868388977 584427438 /nfs/dbraw/zinc/42/74/38/584427438.db2.gz WMWPYGYPERAGQT-RBSFLKMASA-N 3 0 339.484 -0.866 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)C[C@H]1C[NH3+] ZINC000868393099 584427851 /nfs/dbraw/zinc/42/78/51/584427851.db2.gz JXJMDTZKTGEUCK-GBJTYRQASA-N 2 0 338.452 -0.639 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)C[C@H]1C[NH3+] ZINC000868393102 584427898 /nfs/dbraw/zinc/42/78/98/584427898.db2.gz JXJMDTZKTGEUCK-KBUPBQIOSA-N 2 0 338.452 -0.639 20 0 EBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000868402565 584428474 /nfs/dbraw/zinc/42/84/74/584428474.db2.gz MGKHBWWAPHSCIA-YJNKXOJESA-N 3 0 339.484 -0.868 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000868403952 584428581 /nfs/dbraw/zinc/42/85/81/584428581.db2.gz BIFASYOCAXGDCX-UHFFFAOYSA-N 2 0 328.457 -0.377 20 0 EBADRP O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870998566 584450835 /nfs/dbraw/zinc/45/08/35/584450835.db2.gz ZICGQBSXABEWHU-LXFSFDBISA-N 2 0 334.420 -0.090 20 0 EBADRP COC[C@@]1(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC[NH2+]C1 ZINC000870997647 584450867 /nfs/dbraw/zinc/45/08/67/584450867.db2.gz PPSUGTKXNNTNEG-NFFDBFGFSA-N 2 0 338.408 -0.994 20 0 EBADRP C[NH+]1CCC[C@@H]1C(=O)N1CCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000871460791 584454412 /nfs/dbraw/zinc/45/44/12/584454412.db2.gz CUXCYXBCXFCBBZ-RBSFLKMASA-N 2 0 338.452 -0.482 20 0 EBADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)C2)C1 ZINC000872195241 584459925 /nfs/dbraw/zinc/45/99/25/584459925.db2.gz NTWGZODZLPDHOZ-QGTPRVQTSA-N 2 0 334.464 -0.001 20 0 EBADRP [NH3+]C[C@@]1(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCCOC1 ZINC000872302041 584461244 /nfs/dbraw/zinc/46/12/44/584461244.db2.gz NMXCSVYYERIZLG-FOCJUVANSA-N 2 0 338.408 -0.865 20 0 EBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000872302516 584461552 /nfs/dbraw/zinc/46/15/52/584461552.db2.gz BXWVQPJWBDPIOL-CRQFQMBKSA-N 2 0 338.408 -0.853 20 0 EBADRP C[N@@H+]1CC[C@H]2CN(CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)CC[C@H]21 ZINC000872725100 584466590 /nfs/dbraw/zinc/46/65/90/584466590.db2.gz BPIBZEBTJJIPHZ-UONOGXRCSA-N 2 0 335.452 -0.014 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(CCF)n1 ZINC000873823421 584476325 /nfs/dbraw/zinc/47/63/25/584476325.db2.gz UXVSPIQWMCXMOS-UHFFFAOYSA-N 2 0 342.419 -0.257 20 0 EBADRP CC[C@H](COC)NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875035802 584488068 /nfs/dbraw/zinc/48/80/68/584488068.db2.gz YBAQKFUJYUTISG-RBSFLKMASA-N 2 0 342.484 -0.275 20 0 EBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000875292584 584496430 /nfs/dbraw/zinc/49/64/30/584496430.db2.gz MDFTVRLCKRPBIO-HZPDHXFCSA-N 2 0 340.468 -0.004 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](CC(C)(C)O)C2)C1 ZINC000875307628 584496784 /nfs/dbraw/zinc/49/67/84/584496784.db2.gz ABCPTMAOYKRPPW-KBPBESRZSA-N 2 0 328.457 -0.149 20 0 EBADRP CCN(C)C(=O)CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875509311 584499894 /nfs/dbraw/zinc/49/98/94/584499894.db2.gz RZDNFATVVKUGQD-ZIAGYGMSSA-N 2 0 327.473 -0.155 20 0 EBADRP COC[C@]1(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C[NH2+]CCO1 ZINC000876716794 584521530 /nfs/dbraw/zinc/52/15/30/584521530.db2.gz NIPFNTNPOCGCMN-FMKPAKJESA-N 2 0 329.441 -0.393 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876745965 584521978 /nfs/dbraw/zinc/52/19/78/584521978.db2.gz HIVVPSCFRHXFLQ-JYJNAYRXSA-N 2 0 325.501 -0.108 20 0 EBADRP COC[C@]1(C(=O)NCC2CC[NH+](CCN(C)C)CC2)C[NH2+]CCO1 ZINC000876737066 584521994 /nfs/dbraw/zinc/52/19/94/584521994.db2.gz PIJLXDYFPJTRBD-KRWDZBQOSA-N 2 0 342.484 -0.619 20 0 EBADRP COC[C@@]1(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)C[NH2+]CCO1 ZINC000876757408 584522533 /nfs/dbraw/zinc/52/25/33/584522533.db2.gz GBDNWESEVFNBGN-QGZVFWFLSA-N 2 0 343.468 -0.003 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)[C@]2(COC)C[NH2+]CCO2)CC1 ZINC000876781596 584523668 /nfs/dbraw/zinc/52/36/68/584523668.db2.gz PGPOTBYYVRUDMB-QGZVFWFLSA-N 2 0 342.484 -0.475 20 0 EBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1(F)F ZINC000876788382 584524003 /nfs/dbraw/zinc/52/40/03/584524003.db2.gz MSEZXHLKOAIPEO-FDYHWXHSSA-N 2 0 344.406 -0.067 20 0 EBADRP O=C([C@@H](F)[C@H]1CC[NH2+]C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000876995095 584527775 /nfs/dbraw/zinc/52/77/75/584527775.db2.gz AFVGBWQZHHEIRA-STQMWFEESA-N 2 0 327.404 -0.897 20 0 EBADRP COC[C@]1(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C[NH2+]CCO1 ZINC000877018668 584528395 /nfs/dbraw/zinc/52/83/95/584528395.db2.gz PGFMHDUUMRAULB-GVXVVHGQSA-N 2 0 339.358 -0.023 20 0 EBADRP COC[C@]1(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C[NH2+]CCO1 ZINC000877352882 584532127 /nfs/dbraw/zinc/53/21/27/584532127.db2.gz LLOOMKDCXQRVOK-SCVCMEIPSA-N 2 0 325.331 -0.413 20 0 EBADRP O[C@@H]1CC[NH+](Cc2ccc(C[N@H+]3CC[C@@H](O)[C@@H](O)C3)cc2)C[C@@H]1O ZINC000879610073 584554806 /nfs/dbraw/zinc/55/48/06/584554806.db2.gz FCJXDZNPNYSBGZ-BDXSIMOUSA-N 2 0 336.432 -0.458 20 0 EBADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)NCCOCC[NH+](C)C ZINC000888858492 584571659 /nfs/dbraw/zinc/57/16/59/584571659.db2.gz RFBDCLGARYVQRP-ZDUSSCGKSA-N 2 0 329.445 -0.674 20 0 EBADRP CC[NH+]1CC[C@H]1CNC(=O)COCC(=O)NC[C@H]1CC[N@H+]1CC ZINC000882489338 584590836 /nfs/dbraw/zinc/59/08/36/584590836.db2.gz ATWHAQMMMNOXDP-OKILXGFUSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CCN1c1cc[nH+]cc1 ZINC000883473030 584601697 /nfs/dbraw/zinc/60/16/97/584601697.db2.gz PCYVAFMSFGBCCU-ZFWWWQNUSA-N 2 0 340.449 -0.090 20 0 EBADRP CC[NH+](CC)CCN(C(=O)[C@H]([NH3+])CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000884305883 584621202 /nfs/dbraw/zinc/62/12/02/584621202.db2.gz LMODABCNDNQUIW-UONOGXRCSA-N 2 0 349.497 -0.292 20 0 EBADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000884518210 584625559 /nfs/dbraw/zinc/62/55/59/584625559.db2.gz IYVSJCJHEVXUNW-GJZGRUSLSA-N 2 0 346.431 -0.184 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884563232 584627635 /nfs/dbraw/zinc/62/76/35/584627635.db2.gz ZVFXOXCALCYINQ-UHFFFAOYSA-N 2 0 348.447 -0.357 20 0 EBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000884560455 584627709 /nfs/dbraw/zinc/62/77/09/584627709.db2.gz XZDWUGRCXFXIJM-ZQDZILKHSA-N 2 0 338.452 -0.401 20 0 EBADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884627616 584630411 /nfs/dbraw/zinc/63/04/11/584630411.db2.gz WNAOUVRMCSLORU-NEPJUHHUSA-N 2 0 344.406 -0.052 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)C1 ZINC000884642852 584631265 /nfs/dbraw/zinc/63/12/65/584631265.db2.gz RQOOJURCJQZNJO-UONOGXRCSA-N 2 0 340.468 -0.282 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)C1 ZINC000884642737 584631434 /nfs/dbraw/zinc/63/14/34/584631434.db2.gz PZQAHGRNOGDLKQ-ZIAGYGMSSA-N 2 0 326.441 -0.447 20 0 EBADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000884647976 584631859 /nfs/dbraw/zinc/63/18/59/584631859.db2.gz ZUDGOKWRDLQMBV-HOTGVXAUSA-N 2 0 330.432 -0.020 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884662281 584632232 /nfs/dbraw/zinc/63/22/32/584632232.db2.gz MFFDLCDAHOAULX-ZDUSSCGKSA-N 2 0 328.457 -0.425 20 0 EBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000884656613 584632406 /nfs/dbraw/zinc/63/24/06/584632406.db2.gz NJQSIBPSEZGIQB-CHWSQXEVSA-N 2 0 340.468 -0.060 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CCN1c1cc[nH+]cc1 ZINC000884706656 584635055 /nfs/dbraw/zinc/63/50/55/584635055.db2.gz KEILIPKOKNXVKK-WFASDCNBSA-N 2 0 331.420 -0.028 20 0 EBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000884729268 584636565 /nfs/dbraw/zinc/63/65/65/584636565.db2.gz LQLKCWQAFUNVSL-KBUPBQIOSA-N 3 0 341.500 -0.574 20 0 EBADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000884814727 584638533 /nfs/dbraw/zinc/63/85/33/584638533.db2.gz GTTQUPOIDVAOPW-KBPBESRZSA-N 2 0 347.419 -0.777 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@H]2c3ccccc3CN2C)CCO1 ZINC000885022079 584642782 /nfs/dbraw/zinc/64/27/82/584642782.db2.gz JJXMKYKKNOFQDW-VBNZEHGJSA-N 2 0 346.431 -0.136 20 0 EBADRP CN1Cc2ccccc2[C@H]1CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000885022110 584642904 /nfs/dbraw/zinc/64/29/04/584642904.db2.gz KNLYGYFJPRGDAJ-GOEBONIOSA-N 2 0 346.431 -0.135 20 0 EBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885279213 584646743 /nfs/dbraw/zinc/64/67/43/584646743.db2.gz AINPHPLNLKFBRX-LBPRGKRZSA-N 2 0 332.395 -0.098 20 0 EBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000885281050 584647092 /nfs/dbraw/zinc/64/70/92/584647092.db2.gz WCQFFMPMDYXOME-GFCCVEGCSA-N 2 0 332.395 -0.098 20 0 EBADRP C[NH+](CCn1cnnn1)[C@H]1CC[C@H]([N@H+](C)CCn2cnnn2)CC1 ZINC000886387102 584664224 /nfs/dbraw/zinc/66/42/24/584664224.db2.gz SPUPZQMBOCINQY-HDJSIYSDSA-N 2 0 334.432 -0.465 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)CC[NH2+]1 ZINC000887091872 584676266 /nfs/dbraw/zinc/67/62/66/584676266.db2.gz ZLBZZBFFRMPSJX-ZIAGYGMSSA-N 2 0 331.420 -0.061 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)CC[NH2+]1 ZINC000887091869 584676326 /nfs/dbraw/zinc/67/63/26/584676326.db2.gz ZLBZZBFFRMPSJX-KBPBESRZSA-N 2 0 331.420 -0.061 20 0 EBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000887088225 584676405 /nfs/dbraw/zinc/67/64/05/584676405.db2.gz ZDCDLZHUOLSVGB-HUUCEWRRSA-N 2 0 338.452 -0.493 20 0 EBADRP COC(=O)N[C@H]1CCN([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000887305883 584677576 /nfs/dbraw/zinc/67/75/76/584677576.db2.gz BZPZIDJLLCIJMF-RYUDHWBXSA-N 2 0 326.397 -0.504 20 0 EBADRP C[NH+](C)CCCNC(=S)NCCC[NH+]1CCC(C(N)=O)CC1 ZINC000044159051 649943338 /nfs/dbraw/zinc/94/33/38/649943338.db2.gz YBAIPLOBPRMZIQ-UHFFFAOYSA-N 2 0 329.514 -0.010 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000077810703 649970666 /nfs/dbraw/zinc/97/06/66/649970666.db2.gz WEERVVGNSBUGOG-CVEARBPZSA-N 3 0 341.500 -0.016 20 0 EBADRP C[C@H](CNC(=O)C[C@@]1(C(=O)NC[C@H](C)[NH+](C)C)CC[NH2+]C1)[NH+](C)C ZINC000262047476 649986251 /nfs/dbraw/zinc/98/62/51/649986251.db2.gz URHGMIQRIJWZCK-KEYYUXOJSA-N 3 0 341.500 -0.511 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000419447113 650009341 /nfs/dbraw/zinc/00/93/41/650009341.db2.gz HGFXWXUVSGDVOT-INIZCTEOSA-N 2 0 326.441 -0.575 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000419447460 650009351 /nfs/dbraw/zinc/00/93/51/650009351.db2.gz HGFXWXUVSGDVOT-MRXNPFEDSA-N 2 0 326.441 -0.575 20 0 EBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])C2)CC1 ZINC000566009683 650014168 /nfs/dbraw/zinc/01/41/68/650014168.db2.gz GOSBLMKMBHPNLU-QLFBSQMISA-N 2 0 339.484 -0.533 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)CCO1 ZINC000904955813 650051401 /nfs/dbraw/zinc/05/14/01/650051401.db2.gz GLHQKYJOMOIXAA-QWHCGFSZSA-N 2 0 328.457 -0.393 20 0 EBADRP CN(C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)C1(C[NH3+])CCOCC1 ZINC000904969574 650053631 /nfs/dbraw/zinc/05/36/31/650053631.db2.gz JUDACFGXXSCDET-CYBMUJFWSA-N 2 0 326.441 -0.495 20 0 EBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)C1 ZINC000904980480 650054009 /nfs/dbraw/zinc/05/40/09/650054009.db2.gz NQKNIPSNZSGIAA-CQSZACIVSA-N 2 0 340.468 -0.058 20 0 EBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000904982441 650054584 /nfs/dbraw/zinc/05/45/84/650054584.db2.gz UJNQFWYMZHNDTA-UHFFFAOYSA-N 2 0 342.484 -0.001 20 0 EBADRP CC1(C)CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C[C@@H]1[NH3+] ZINC000904986307 650055468 /nfs/dbraw/zinc/05/54/68/650055468.db2.gz HMSVWQBCCMGNSS-MCIONIFRSA-N 2 0 338.452 -0.760 20 0 EBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2CCOC)C1 ZINC000904986317 650055755 /nfs/dbraw/zinc/05/57/55/650055755.db2.gz HPFUIKDPWMTKBK-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000904994475 650056951 /nfs/dbraw/zinc/05/69/51/650056951.db2.gz GYVBMRBWPSVZME-CABCVRRESA-N 2 0 336.436 -0.704 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000904993463 650057036 /nfs/dbraw/zinc/05/70/36/650057036.db2.gz GZMJYAVFWLUGCQ-ZNMIVQPWSA-N 2 0 338.452 -0.624 20 0 EBADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](O)C2(O)CCOCC2)CC1 ZINC000905110731 650061969 /nfs/dbraw/zinc/06/19/69/650061969.db2.gz NYOPHZDCWYEKHW-HOTGVXAUSA-N 2 0 329.485 -0.248 20 0 EBADRP CC(C)[C@H](C[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1)N1CC[NH+](C)CC1 ZINC000905110239 650062021 /nfs/dbraw/zinc/06/20/21/650062021.db2.gz LHADOJARHAJYKZ-ULQDDVLXSA-N 2 0 329.485 -0.250 20 0 EBADRP C[NH+](C)CCNC(=S)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000905555438 650064029 /nfs/dbraw/zinc/06/40/29/650064029.db2.gz KACRDNGSOPSFOY-HNNXBMFYSA-N 2 0 343.541 -0.191 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000906112869 650066819 /nfs/dbraw/zinc/06/68/19/650066819.db2.gz VCVVDYKZBQZZEZ-UHFFFAOYSA-N 2 0 325.501 -0.376 20 0 EBADRP O[C@H](CN1CCN(C[C@H](O)C[NH+]2CCCC2)CC1)C[NH+]1CCCC1 ZINC000906612020 650069072 /nfs/dbraw/zinc/06/90/72/650069072.db2.gz GLXVYIHKIKUCEG-HDICACEKSA-N 2 0 340.512 -0.483 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000906679683 650070296 /nfs/dbraw/zinc/07/02/96/650070296.db2.gz YONAWFJRARAHML-INIZCTEOSA-N 2 0 339.528 -0.130 20 0 EBADRP COC(=O)CCN1CCN(C(=O)C2CN(C)CC[N@H+](C)C2)C[C@@H]1C ZINC000907215260 650078758 /nfs/dbraw/zinc/07/87/58/650078758.db2.gz XGNXWDQOLYZPBK-AWEZNQCLSA-N 2 0 340.468 -0.424 20 0 EBADRP CC(C)[NH+]1CCN(CCCC(=O)NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000907390393 650082313 /nfs/dbraw/zinc/08/23/13/650082313.db2.gz YMGNKZVCIOQXCI-QGZVFWFLSA-N 2 0 326.485 -0.025 20 0 EBADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC1=O ZINC000908235259 650098960 /nfs/dbraw/zinc/09/89/60/650098960.db2.gz ALODSWAGJJGWJF-AWEZNQCLSA-N 2 0 338.452 -0.623 20 0 EBADRP C[NH+]1CC[C@H]2CN(C(=O)C(=O)N3C[C@H]4C[N@@H+](C)C[C@@]4(C)C3)CC[C@H]21 ZINC000910765572 650129897 /nfs/dbraw/zinc/12/98/97/650129897.db2.gz JGBIBBXHGHXMSE-BORJPKMPSA-N 2 0 334.464 -0.051 20 0 EBADRP C[NH+]1C[C@H]2CN(C(=O)C(=O)N3CC[C@]4(CC[N@@H+](C)C4)C3)C[C@@]2(C)C1 ZINC000910906564 650139833 /nfs/dbraw/zinc/13/98/33/650139833.db2.gz OSVHXDZBJDRMII-QGTPRVQTSA-N 2 0 334.464 -0.049 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000910923010 650140184 /nfs/dbraw/zinc/14/01/84/650140184.db2.gz IMYOXNANZUNTMX-UONOGXRCSA-N 2 0 326.441 -0.936 20 0 EBADRP C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000910955360 650142068 /nfs/dbraw/zinc/14/20/68/650142068.db2.gz CWMGOEZJLIJDCC-WDEREUQCSA-N 2 0 336.358 -0.065 20 0 EBADRP C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)CC1 ZINC000910955358 650142078 /nfs/dbraw/zinc/14/20/78/650142078.db2.gz CWMGOEZJLIJDCC-MNOVXSKESA-N 2 0 336.358 -0.065 20 0 EBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000911011392 650145345 /nfs/dbraw/zinc/14/53/45/650145345.db2.gz GBSISJRNYVFBLA-CFVMTHIKSA-N 2 0 338.452 -0.570 20 0 EBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911054491 650148233 /nfs/dbraw/zinc/14/82/33/650148233.db2.gz INIFDHBRLXWVRF-OAHLLOKOSA-N 2 0 339.484 -0.484 20 0 EBADRP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC000911068502 650148963 /nfs/dbraw/zinc/14/89/63/650148963.db2.gz LMCSSTGEVFYBQL-GJZGRUSLSA-N 2 0 339.484 -0.676 20 0 EBADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)C(C)(C)C ZINC000911076800 650149208 /nfs/dbraw/zinc/14/92/08/650149208.db2.gz JPTGNFUHMCEHBJ-CXAGYDPISA-N 2 0 342.484 -0.219 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C[C@H]1[NH3+] ZINC000911101454 650151263 /nfs/dbraw/zinc/15/12/63/650151263.db2.gz VIEVIUYDHPRTFX-BPLDGKMQSA-N 2 0 338.452 -0.448 20 0 EBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1(C)C ZINC000911097144 650151277 /nfs/dbraw/zinc/15/12/77/650151277.db2.gz NQZLHRYXUGBWFN-ZDUSSCGKSA-N 2 0 339.484 -0.676 20 0 EBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911146215 650153646 /nfs/dbraw/zinc/15/36/46/650153646.db2.gz JUGQKGKACNNMLH-HJQYOEGKSA-N 2 0 348.369 -0.067 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000911149559 650154642 /nfs/dbraw/zinc/15/46/42/650154642.db2.gz XOKWKBCKAJCRKP-KBXIAJHMSA-N 2 0 338.452 -0.672 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC[C@H]1C[NH3+] ZINC000911148897 650154862 /nfs/dbraw/zinc/15/48/62/650154862.db2.gz SOUAKTLUZCIIAX-CBBWQLFWSA-N 2 0 338.452 -0.591 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000911157995 650155128 /nfs/dbraw/zinc/15/51/28/650155128.db2.gz KJZIAZVHUKHJCF-CZUORRHYSA-N 2 0 344.459 -0.074 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000911176931 650157119 /nfs/dbraw/zinc/15/71/19/650157119.db2.gz QMVOKEYCCNFGKR-KBPBESRZSA-N 2 0 328.457 -0.486 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000911177467 650157202 /nfs/dbraw/zinc/15/72/02/650157202.db2.gz SENOBURFJJRFKO-PBHICJAKSA-N 2 0 340.468 -0.199 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000911176934 650157208 /nfs/dbraw/zinc/15/72/08/650157208.db2.gz QMVOKEYCCNFGKR-ZIAGYGMSSA-N 2 0 328.457 -0.486 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C[C@H]1CC[NH3+] ZINC000911182373 650157278 /nfs/dbraw/zinc/15/72/78/650157278.db2.gz BNVPMSHQRKZQEO-HUUCEWRRSA-N 2 0 340.468 -0.342 20 0 EBADRP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000911194702 650158423 /nfs/dbraw/zinc/15/84/23/650158423.db2.gz LTUDNCFDILGYJZ-KVULBXGLSA-N 2 0 338.452 -0.568 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000911194558 650158436 /nfs/dbraw/zinc/15/84/36/650158436.db2.gz QHSRWOAUJSDWEB-VBQJREDUSA-N 2 0 338.452 -0.447 20 0 EBADRP C[NH2+]CCN(C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1)C(C)C ZINC000911199119 650159134 /nfs/dbraw/zinc/15/91/34/650159134.db2.gz LAGBSBGKKFIIHQ-HNNXBMFYSA-N 2 0 330.498 -0.004 20 0 EBADRP C[C@H](NC(=O)C(=O)N1CCNCC[NH2+]CC1)C(C)(C)C[NH+](C)C ZINC000911201559 650159176 /nfs/dbraw/zinc/15/91/76/650159176.db2.gz SCAPDLXPZRPJRD-ZDUSSCGKSA-N 2 0 327.473 -0.900 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)[N@H+](C)C1CC1 ZINC000911204293 650159616 /nfs/dbraw/zinc/15/96/16/650159616.db2.gz ACIUIVSSWUQUOZ-LBPRGKRZSA-N 2 0 325.457 -0.875 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000911214309 650160440 /nfs/dbraw/zinc/16/04/40/650160440.db2.gz BDSIOXDNMZAHEA-QLFBSQMISA-N 2 0 338.452 -0.434 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000911237862 650161986 /nfs/dbraw/zinc/16/19/86/650161986.db2.gz ZUHICCRXGOVTRJ-AWEZNQCLSA-N 2 0 326.441 -0.576 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)C1 ZINC000911243213 650162959 /nfs/dbraw/zinc/16/29/59/650162959.db2.gz USOKIKUGALLAEW-KBPBESRZSA-N 2 0 326.441 -0.528 20 0 EBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000911258067 650163600 /nfs/dbraw/zinc/16/36/00/650163600.db2.gz MCIHQIUFKQFSAN-CYBMUJFWSA-N 2 0 328.457 -0.201 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000911265769 650164028 /nfs/dbraw/zinc/16/40/28/650164028.db2.gz DQBHOBBOEWSDOT-CVEARBPZSA-N 2 0 348.447 -0.148 20 0 EBADRP CC(C)[NH+](CCNC(=O)C(=O)N1CCNCC[NH2+]CC1)C(C)C ZINC000911267877 650164247 /nfs/dbraw/zinc/16/42/47/650164247.db2.gz NSLYFDPGWLMQAO-UHFFFAOYSA-N 2 0 327.473 -0.757 20 0 EBADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)c1ccccc1 ZINC000911266914 650164475 /nfs/dbraw/zinc/16/44/75/650164475.db2.gz KAYSHBCMDRQNSQ-CRAIPNDOSA-N 2 0 348.447 -0.282 20 0 EBADRP O=C(NCCC[NH2+]C1CC1)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000911270364 650164837 /nfs/dbraw/zinc/16/48/37/650164837.db2.gz KVTDVTRZKMALOT-LSDHHAIUSA-N 2 0 338.452 -0.698 20 0 EBADRP [NH3+]C1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000911283055 650166380 /nfs/dbraw/zinc/16/63/80/650166380.db2.gz WVGUZDGUSGEEAS-PFSRBDOWSA-N 2 0 338.452 -0.570 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)C[NH+](C)C ZINC000911295627 650167359 /nfs/dbraw/zinc/16/73/59/650167359.db2.gz HTBJDZOWOMALFM-CYBMUJFWSA-N 2 0 328.457 -0.425 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC[NH2+]1 ZINC000911309480 650169747 /nfs/dbraw/zinc/16/97/47/650169747.db2.gz SNNVWPBUJQBAEV-KBXIAJHMSA-N 2 0 338.452 -0.699 20 0 EBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000911312848 650169992 /nfs/dbraw/zinc/16/99/92/650169992.db2.gz NNMIUDFLIHIGEN-INIZCTEOSA-N 2 0 328.457 -0.607 20 0 EBADRP [NH3+]CCCCCCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911313711 650170675 /nfs/dbraw/zinc/17/06/75/650170675.db2.gz TVOBPCVEBXTUAJ-LSDHHAIUSA-N 2 0 340.468 -0.321 20 0 EBADRP [NH3+]CC1(CCNC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000911321811 650170850 /nfs/dbraw/zinc/17/08/50/650170850.db2.gz HNWZBHMJXWEFRL-KBPBESRZSA-N 2 0 338.452 -0.711 20 0 EBADRP [NH3+]C1(CNC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CCCC1 ZINC000911327775 650171627 /nfs/dbraw/zinc/17/16/27/650171627.db2.gz VTWXYEJWWSNWAD-ZIAGYGMSSA-N 2 0 338.452 -0.568 20 0 EBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911338164 650172414 /nfs/dbraw/zinc/17/24/14/650172414.db2.gz ZDOBEWIXOGAFOO-AWEZNQCLSA-N 2 0 325.457 -0.874 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911346067 650173291 /nfs/dbraw/zinc/17/32/91/650173291.db2.gz NNGDCRHLQFENOY-XGUBFFRZSA-N 2 0 338.452 -0.699 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000911367015 650175407 /nfs/dbraw/zinc/17/54/07/650175407.db2.gz LEDXSYZOHRQVFS-ZIAGYGMSSA-N 2 0 338.452 -0.576 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000911366502 650175431 /nfs/dbraw/zinc/17/54/31/650175431.db2.gz HJXGBPHIUPSPHI-MGPQQGTHSA-N 2 0 326.441 -0.720 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000911368408 650175701 /nfs/dbraw/zinc/17/57/01/650175701.db2.gz YQSZTELCFXURNW-UMVBOHGHSA-N 2 0 331.420 -0.157 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000911374016 650176181 /nfs/dbraw/zinc/17/61/81/650176181.db2.gz NISQROJHDPWOHK-UKRRQHHQSA-N 2 0 338.452 -0.719 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@@H]1CCCN2CCSC[C@H]12 ZINC000911383837 650177342 /nfs/dbraw/zinc/17/73/42/650177342.db2.gz VBXVFJXUBIKMIY-XJFOESAGSA-N 2 0 340.493 -0.346 20 0 EBADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CC[C@H](C[NH3+])C1)c1cccnc1 ZINC000911417885 650181235 /nfs/dbraw/zinc/18/12/35/650181235.db2.gz CKNPXSPZEFPLJH-HIFRSBDPSA-N 2 0 333.436 -0.002 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)C[NH+](C)C ZINC000911433076 650183177 /nfs/dbraw/zinc/18/31/77/650183177.db2.gz BGXJMJMUZUNGHW-CJNGLKHVSA-N 2 0 326.441 -0.576 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)C[NH+](C)C ZINC000911433075 650183225 /nfs/dbraw/zinc/18/32/25/650183225.db2.gz BGXJMJMUZUNGHW-BBRMVZONSA-N 2 0 326.441 -0.576 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH2+]C)C[NH+](C)C ZINC000911434793 650183530 /nfs/dbraw/zinc/18/35/30/650183530.db2.gz JETBLXBAWXWZAL-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C[NH+](C)C ZINC000911434827 650183547 /nfs/dbraw/zinc/18/35/47/650183547.db2.gz JGIBBQDXIBBVTM-MJBXVCDLSA-N 2 0 326.441 -0.578 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC(CC[NH3+])CC1)C[NH+](C)C ZINC000911436847 650183787 /nfs/dbraw/zinc/18/37/87/650183787.db2.gz WUWXSKOVRFGKCW-CQSZACIVSA-N 2 0 328.457 -0.343 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C(C)C)C[NH+](C)C ZINC000911437188 650184320 /nfs/dbraw/zinc/18/43/20/650184320.db2.gz ZMUZTAWJCJMPRG-ZIAGYGMSSA-N 2 0 328.457 -0.474 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CCO1 ZINC000911535930 650191206 /nfs/dbraw/zinc/19/12/06/650191206.db2.gz WBQSLTZNZUTFHG-KGLIPLIRSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C[C@H](C)O1 ZINC000911550042 650193067 /nfs/dbraw/zinc/19/30/67/650193067.db2.gz PIQWTFJOAJOHJV-SBJFKYEJSA-N 2 0 338.452 -0.389 20 0 EBADRP COc1cccc2c1CC[C@@]2([NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000911702192 650196089 /nfs/dbraw/zinc/19/60/89/650196089.db2.gz KHWRWRNMBSZGQM-KRWDZBQOSA-N 2 0 332.404 -0.657 20 0 EBADRP CN1CCO[C@@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1=O ZINC000913438117 650233412 /nfs/dbraw/zinc/23/34/12/650233412.db2.gz VFGRKNVDPCEOJQ-MGPQQGTHSA-N 2 0 326.441 -0.959 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000917959728 650286312 /nfs/dbraw/zinc/28/63/12/650286312.db2.gz LUVKRTAVRBXPGJ-HOTGVXAUSA-N 2 0 339.484 -0.215 20 0 EBADRP O=C(CN1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1)N1CCCC1 ZINC000923319952 650338035 /nfs/dbraw/zinc/33/80/35/650338035.db2.gz RBBOWCUDGVWJCC-INIZCTEOSA-N 2 0 336.480 -0.005 20 0 EBADRP CC(=O)N1CCN(C(=O)C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC1 ZINC000923458903 650341143 /nfs/dbraw/zinc/34/11/43/650341143.db2.gz WHBBPMWLQCAYIK-OAHLLOKOSA-N 2 0 338.452 -0.493 20 0 EBADRP O=C([C@H]1CCCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000923565854 650343780 /nfs/dbraw/zinc/34/37/80/650343780.db2.gz GVGDQGMAXXWIQJ-KBPBESRZSA-N 2 0 344.481 -0.788 20 0 EBADRP C[NH+](C)CC[C@H](NS(=O)(=O)N1CC[NH2+]CC1)c1cccnc1 ZINC000923676787 650352320 /nfs/dbraw/zinc/35/23/20/650352320.db2.gz NPIWGIDZYKBQQT-AWEZNQCLSA-N 2 0 327.454 -0.186 20 0 EBADRP C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923614253 650348417 /nfs/dbraw/zinc/34/84/17/650348417.db2.gz DUAULQSHRRUZLN-CYBMUJFWSA-N 2 0 334.486 -0.839 20 0 EBADRP O=S(=O)(NCc1cc(O[C@H]2CC[NH2+]C2)ccn1)N1CC[NH2+]CC1 ZINC000923650315 650350663 /nfs/dbraw/zinc/35/06/63/650350663.db2.gz NKSATVZSUOKNGQ-AWEZNQCLSA-N 2 0 341.437 -0.938 20 0 EBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000925155332 650374032 /nfs/dbraw/zinc/37/40/32/650374032.db2.gz FHECTPOLHMOYMH-NFAWXSAZSA-N 2 0 328.482 -0.068 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000926294175 650385186 /nfs/dbraw/zinc/38/51/86/650385186.db2.gz CAEOCWGXYNNKOQ-ZDUSSCGKSA-N 2 0 326.441 -0.637 20 0 EBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000926318947 650385636 /nfs/dbraw/zinc/38/56/36/650385636.db2.gz CKDTUFCQOINQOV-MRXNPFEDSA-N 2 0 326.441 -0.759 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926328822 650386141 /nfs/dbraw/zinc/38/61/41/650386141.db2.gz SRTWYHGLMQIUQY-CABCVRRESA-N 2 0 340.468 -0.247 20 0 EBADRP O=C(C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000926343115 650387719 /nfs/dbraw/zinc/38/77/19/650387719.db2.gz CTRKAQWDBLCCFS-OWCLPIDISA-N 2 0 334.464 -0.001 20 0 EBADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000926333602 650386600 /nfs/dbraw/zinc/38/66/00/650386600.db2.gz RYVZOPMCHXZKIU-VNHYZAJKSA-N 2 0 340.468 -0.657 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926333413 650386605 /nfs/dbraw/zinc/38/66/05/650386605.db2.gz JNOLWIDHHNLGDT-CJNGLKHVSA-N 2 0 326.441 -0.759 20 0 EBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926334497 650386836 /nfs/dbraw/zinc/38/68/36/650386836.db2.gz JBRITLKGIYVDFN-MRXNPFEDSA-N 2 0 326.441 -0.757 20 0 EBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCNCC[NH2+]CC2)[C@H](C)C1 ZINC000926347935 650387996 /nfs/dbraw/zinc/38/79/96/650387996.db2.gz PABOELSQPNPCDL-HUUCEWRRSA-N 2 0 339.484 -0.804 20 0 EBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000926381868 650390363 /nfs/dbraw/zinc/39/03/63/650390363.db2.gz YHXPXDUMBCUIDE-CJNGLKHVSA-N 2 0 326.441 -0.760 20 0 EBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000926391215 650390869 /nfs/dbraw/zinc/39/08/69/650390869.db2.gz PRIDBXVTBZXYGE-UHFFFAOYSA-N 2 0 339.484 -0.659 20 0 EBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926412136 650391879 /nfs/dbraw/zinc/39/18/79/650391879.db2.gz AHECHMKHMDABHH-OAHLLOKOSA-N 2 0 341.500 -0.474 20 0 EBADRP C[C@@H](CNC(=O)CN1CCC[N@H+](C)CC1)N1CCC[NH+](C)CC1 ZINC000929216230 651538934 /nfs/dbraw/zinc/53/89/34/651538934.db2.gz AYFROXLWSWJTQY-INIZCTEOSA-N 2 0 325.501 -0.234 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO)C1CC1 ZINC000929712347 651560433 /nfs/dbraw/zinc/56/04/33/651560433.db2.gz MTWPJSPABURGGH-GJZGRUSLSA-N 2 0 338.452 -0.746 20 0 EBADRP CN(CC[N@H+](C)C[C@@H](O)C[C@]1(O)CCOC1)C1CC[NH+](C)CC1 ZINC000930113067 651584536 /nfs/dbraw/zinc/58/45/36/651584536.db2.gz IKQQANWTZCKBTL-DLBZAZTESA-N 2 0 329.485 -0.153 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C[NH+](C)C ZINC000930479706 651599065 /nfs/dbraw/zinc/59/90/65/651599065.db2.gz MVYVRERDIXXEOS-UMVBOHGHSA-N 2 0 340.468 -0.189 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1)C[NH+](C)C ZINC000930828698 651612521 /nfs/dbraw/zinc/61/25/21/651612521.db2.gz SDECHKDPYCAXEP-LSDHHAIUSA-N 2 0 342.484 -0.083 20 0 EBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C[NH+](C)C)OCC)C1 ZINC000931018009 651619988 /nfs/dbraw/zinc/61/99/88/651619988.db2.gz KLEINPNTJPRFJX-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1 ZINC000931282439 651628952 /nfs/dbraw/zinc/62/89/52/651628952.db2.gz AVWTURZNFFRQKE-LISAXSMJSA-N 2 0 338.496 -0.049 20 0 EBADRP CCN1CCN(C(=O)[C@@H](C)[NH+]2CCC(O)(C[NH+](C)C)CC2)CC1 ZINC000931486032 651634772 /nfs/dbraw/zinc/63/47/72/651634772.db2.gz LDBDRMQPWAINOM-OAHLLOKOSA-N 2 0 326.485 -0.073 20 0 EBADRP CC[N@H+](CCC(N)=O)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000932482634 651683921 /nfs/dbraw/zinc/68/39/21/651683921.db2.gz WQFDXMYYZXWDKR-AWEZNQCLSA-N 2 0 328.457 -0.343 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC000932684461 651689903 /nfs/dbraw/zinc/68/99/03/651689903.db2.gz LDNFTBJCBBSRLH-ZDUSSCGKSA-N 2 0 326.441 -0.229 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](C[C@H]3CCOC3)C2)CC1 ZINC000941345014 652682529 /nfs/dbraw/zinc/68/25/29/652682529.db2.gz MXTILWCXIDRASF-WBVHZDCISA-N 2 0 336.480 -0.055 20 0 EBADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944170841 652700635 /nfs/dbraw/zinc/70/06/35/652700635.db2.gz VNXXGSPLYQFUHQ-CABCVRRESA-N 2 0 349.479 -0.066 20 0 EBADRP C[C@@H]1CN(CCS(C)(=O)=O)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944171095 652700962 /nfs/dbraw/zinc/70/09/62/652700962.db2.gz WFRHVSYIVGPBKT-ZIAGYGMSSA-N 2 0 343.493 -0.047 20 0 EBADRP CC[NH+]1CC(N2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)CC2)C1 ZINC000941411274 652722297 /nfs/dbraw/zinc/72/22/97/652722297.db2.gz XFVPYKXIMMGBJU-UHFFFAOYSA-N 2 0 334.468 -0.093 20 0 EBADRP C[C@@H](O)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCCc4nccn43)CC2)C1 ZINC000941436921 652737045 /nfs/dbraw/zinc/73/70/45/652737045.db2.gz LHMSWTQBKXQKTB-GDBMZVCRSA-N 2 0 347.463 -0.030 20 0 EBADRP C[C@H](O)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCCc4nccn43)CC2)C1 ZINC000941436922 652737169 /nfs/dbraw/zinc/73/71/69/652737169.db2.gz LHMSWTQBKXQKTB-GOEBONIOSA-N 2 0 347.463 -0.030 20 0 EBADRP CC1CC[NH+](CC(=O)N2CCN(C3C[NH+](CCCO)C3)CC2)CC1 ZINC000941615444 652836427 /nfs/dbraw/zinc/83/64/27/652836427.db2.gz XLENOOCYQSZILK-UHFFFAOYSA-N 2 0 338.496 -0.071 20 0 EBADRP CN1CC[C@@H]([NH2+]CC2(O)CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC000946918210 653261753 /nfs/dbraw/zinc/26/17/53/653261753.db2.gz FNVZLTGXFWZOKV-ZIAGYGMSSA-N 2 0 338.452 -0.746 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+][C@H]2CCCNC2=O)CC1 ZINC000946918430 653263432 /nfs/dbraw/zinc/26/34/32/653263432.db2.gz JYEZKFQZWUMRRZ-KBPBESRZSA-N 2 0 338.452 -0.698 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC000946927916 653274916 /nfs/dbraw/zinc/27/49/16/653274916.db2.gz OYKAYMXFKYSWEU-ZIAGYGMSSA-N 2 0 338.452 -0.698 20 0 EBADRP C[NH+]1CCN(c2ccc(N3CC(=O)NC4(CC[NH2+]CC4)C3)nn2)CC1 ZINC001164391568 718808821 /nfs/dbraw/zinc/80/88/21/718808821.db2.gz VPXKIIJBBTUWCA-UHFFFAOYSA-N 2 0 345.451 -0.713 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2CC3(C2)CC([NH2+][C@H]2CCC(=O)NC2=O)C3)C1 ZINC000965915040 724539481 /nfs/dbraw/zinc/53/94/81/724539481.db2.gz CARLFEPLNBZQPO-YCEQSHTLSA-N 2 0 348.447 -0.240 20 0 EBADRP Cn1cc(C[N@@H+]2C[C@H](O)[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC000958373997 722354192 /nfs/dbraw/zinc/35/41/92/722354192.db2.gz KLMDZTUPFLLNOZ-CVEARBPZSA-N 2 0 335.452 -0.329 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC000958415514 722362782 /nfs/dbraw/zinc/36/27/82/722362782.db2.gz WHNOVMGHCJURGG-IATRGZMQSA-N 2 0 334.420 -0.724 20 0 EBADRP Cc1nn(C)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)CCO1 ZINC000958474667 722373413 /nfs/dbraw/zinc/37/34/13/722373413.db2.gz PFOVZAQGRSMSCH-QXSJWSMHSA-N 2 0 333.436 -0.394 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)c1ccc2c[nH+]cn2c1 ZINC000961148470 722906295 /nfs/dbraw/zinc/90/62/95/722906295.db2.gz KEHWAABKPMQWKH-LJISPDSOSA-N 2 0 325.372 -0.117 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H](O)Cn4cccn4)C[C@H]32)CC1 ZINC000961662171 723054138 /nfs/dbraw/zinc/05/41/38/723054138.db2.gz HCBBLRDSRNNJAW-MWDXBVQZSA-N 2 0 347.463 -0.368 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCCC4)C[C@H]32)C1 ZINC000961767385 723076013 /nfs/dbraw/zinc/07/60/13/723076013.db2.gz WZZLZWVMLJLFKP-OIPACUDHSA-N 2 0 334.464 -0.003 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CCN4CCNC4=O)C[C@H]32)C1 ZINC000961780826 723080202 /nfs/dbraw/zinc/08/02/02/723080202.db2.gz SZVUBCDXLOCUNL-FOLVSLTJSA-N 2 0 349.479 -0.210 20 0 EBADRP Cn1nnnc1C[NH2+]CC1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000961840351 723096990 /nfs/dbraw/zinc/09/69/90/723096990.db2.gz CGVDCYIYUXZIIV-UBHUBRDASA-N 2 0 333.440 -0.464 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1O ZINC000961933650 723124207 /nfs/dbraw/zinc/12/42/07/723124207.db2.gz XCOSZOIQQULODX-ILXRZTDVSA-N 2 0 338.452 -0.890 20 0 EBADRP Cn1[nH]c(C[NH2+]CC2CC(NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)nc1=O ZINC000961994556 723142210 /nfs/dbraw/zinc/14/22/10/723142210.db2.gz ZSRAXMIWAKKRKC-BPCQOVAHSA-N 2 0 336.440 -0.423 20 0 EBADRP Cn1[nH]c(C[NH2+]CC2CC(NC(=O)C3CC[NH+](C)CC3)C2)nc1=O ZINC000962249306 723206133 /nfs/dbraw/zinc/20/61/33/723206133.db2.gz FREJGWSEIPMZCO-UHFFFAOYSA-N 2 0 336.440 -0.565 20 0 EBADRP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000962301279 723221489 /nfs/dbraw/zinc/22/14/89/723221489.db2.gz WFEGZHSNCAWVNV-SPWCGHHHSA-N 2 0 332.448 -0.204 20 0 EBADRP C[C@H]([NH2+]CC1CC(NC(=O)C23CC[NH+](CC2)C3)C1)c1nnnn1C ZINC000962540998 723280022 /nfs/dbraw/zinc/28/00/22/723280022.db2.gz MNLYROFOXWMWGK-HIFPTAJRSA-N 2 0 333.440 -0.149 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC(C[NH2+]Cc3nnc4n3CCOC4)C2)C1 ZINC000962712584 723310640 /nfs/dbraw/zinc/31/06/40/723310640.db2.gz UYSSCVRXVBWPEX-ROKHWSDSSA-N 2 0 348.451 -0.256 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)C1 ZINC000963471625 723430946 /nfs/dbraw/zinc/43/09/46/723430946.db2.gz ASOVYVJIJINPIM-ZNMIVQPWSA-N 2 0 338.452 -0.888 20 0 EBADRP NC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)C1 ZINC000963839751 723498707 /nfs/dbraw/zinc/49/87/07/723498707.db2.gz XFIMMEYKXANYNU-MJZBCOPKSA-N 2 0 336.436 -0.648 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC000964128056 723824890 /nfs/dbraw/zinc/82/48/90/723824890.db2.gz LVHVLFMPZILKQZ-GJZGRUSLSA-N 2 0 338.452 -0.480 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2COCCN2C(=O)C[NH+]2CCCC2)C1 ZINC000964190689 723871581 /nfs/dbraw/zinc/87/15/81/723871581.db2.gz LTBQXAIGSBONFL-HUUCEWRRSA-N 2 0 338.452 -0.623 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N2CC[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001019386899 728876490 /nfs/dbraw/zinc/87/64/90/728876490.db2.gz XODUOIJZNCBXMO-STQMWFEESA-N 2 0 336.436 -0.286 20 0 EBADRP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1)[NH+](C)C ZINC000968996795 725140354 /nfs/dbraw/zinc/14/03/54/725140354.db2.gz QHNRMIFFIWAQAX-ZBFHGGJFSA-N 2 0 340.468 -0.378 20 0 EBADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccn(C)c(=O)c3)C2)O1 ZINC000969069060 725147105 /nfs/dbraw/zinc/14/71/05/725147105.db2.gz GMLWYHMLVSUVNF-FVQBIDKESA-N 2 0 348.447 -0.205 20 0 EBADRP O=C(N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1)C12CCC[NH+]1CCC2 ZINC000969197258 725160945 /nfs/dbraw/zinc/16/09/45/725160945.db2.gz DQIMBBBCQMMAOY-CQSZACIVSA-N 2 0 335.452 -0.170 20 0 EBADRP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000969403716 725176839 /nfs/dbraw/zinc/17/68/39/725176839.db2.gz PIODVJUYXYOGJW-GARNVTTQSA-N 2 0 345.447 -0.063 20 0 EBADRP Cn1nccc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000969407760 725177195 /nfs/dbraw/zinc/17/71/95/725177195.db2.gz UNWMHRSAJZSMFG-IFRCIOGXSA-N 2 0 345.447 -0.026 20 0 EBADRP CC(C)(C(=O)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)[NH+]1CCCC1 ZINC000969564561 725193030 /nfs/dbraw/zinc/19/30/30/725193030.db2.gz WFRLDZJTPKWBFN-OLZOCXBDSA-N 2 0 336.436 -0.144 20 0 EBADRP C[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC1 ZINC000969813738 725219819 /nfs/dbraw/zinc/21/98/19/725219819.db2.gz FOFVLQIDRASNIS-CQSZACIVSA-N 2 0 336.436 -0.332 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)cn1 ZINC000970230530 725265082 /nfs/dbraw/zinc/26/50/82/725265082.db2.gz BFSVZVNJSRFLNS-OAHLLOKOSA-N 2 0 348.451 -0.519 20 0 EBADRP CN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)C2)C1=O ZINC000970230641 725265194 /nfs/dbraw/zinc/26/51/94/725265194.db2.gz DYAPFYUXHZOOAF-CABCVRRESA-N 2 0 348.451 -0.521 20 0 EBADRP CC1CC[NH+](CC(=O)N2CC[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC000970333859 725279018 /nfs/dbraw/zinc/27/90/18/725279018.db2.gz BAVNGZITKNFKMB-ZIAGYGMSSA-N 2 0 336.436 -0.286 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CC[C@@H]([NH2+][C@H]3CCCNC3=O)C2)CC1 ZINC000970354674 725281841 /nfs/dbraw/zinc/28/18/41/725281841.db2.gz DYWZLTHMGFIDQB-HIFRSBDPSA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH+](C)CCN3CCNC3=O)C2)C1 ZINC000972336778 725500794 /nfs/dbraw/zinc/50/07/94/725500794.db2.gz ZTSKYRFOPOGDIZ-CABCVRRESA-N 2 0 337.468 -0.114 20 0 EBADRP Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CCO1 ZINC001051655316 735296162 /nfs/dbraw/zinc/29/61/62/735296162.db2.gz ZTMMRABZSXRGHT-HUUCEWRRSA-N 2 0 336.440 -0.528 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCO[C@@H](C[NH2+]Cc2cnnn2C)C1)[NH+](C)C ZINC001051666745 735306742 /nfs/dbraw/zinc/30/67/42/735306742.db2.gz GBVKARBRZGDSMF-GJZGRUSLSA-N 2 0 338.456 -0.282 20 0 EBADRP O=C(NC1CN(C(=O)C23CC[NH+](CC2)C3)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000993582089 725912280 /nfs/dbraw/zinc/91/22/80/725912280.db2.gz UBLYLGYVTNTLPT-HUUCEWRRSA-N 2 0 348.447 -0.728 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000976285060 726253703 /nfs/dbraw/zinc/25/37/03/726253703.db2.gz MESGCLPMBRDABK-KSXIZUIISA-N 2 0 334.464 -0.005 20 0 EBADRP O=C(C[NH+]1CCCC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000976560367 726350539 /nfs/dbraw/zinc/35/05/39/726350539.db2.gz VSDIYVBSJFGDOY-CBZIJGRNSA-N 2 0 346.475 -0.003 20 0 EBADRP O=C(C[NH+]1CCCC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000976560369 726350737 /nfs/dbraw/zinc/35/07/37/726350737.db2.gz VSDIYVBSJFGDOY-LISAXSMJSA-N 2 0 346.475 -0.003 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC000976761888 726408871 /nfs/dbraw/zinc/40/88/71/726408871.db2.gz UCMDGDSIVCKNAX-QXSJWSMHSA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000996622399 726420459 /nfs/dbraw/zinc/42/04/59/726420459.db2.gz MGVXKVAUPQOBDZ-STQMWFEESA-N 2 0 326.441 -0.733 20 0 EBADRP C[C@@H]([NH2+]C1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1)C(N)=O ZINC000997086489 726437686 /nfs/dbraw/zinc/43/76/86/726437686.db2.gz ZMLQIVYPKZJIHH-GFCCVEGCSA-N 2 0 336.440 -0.487 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]CC(=O)N3CCOCC3)CC2)C1 ZINC000997296675 726445467 /nfs/dbraw/zinc/44/54/67/726445467.db2.gz AZZDMRUOFQLROI-AWEZNQCLSA-N 2 0 338.452 -0.623 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]CCN3C(=O)CCC3=O)CC2)C1 ZINC000997299976 726445474 /nfs/dbraw/zinc/44/54/74/726445474.db2.gz SQSIUOBFPLWFKS-ZDUSSCGKSA-N 2 0 336.436 -0.332 20 0 EBADRP NC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1C(F)(F)F ZINC000998318679 726484641 /nfs/dbraw/zinc/48/46/41/726484641.db2.gz XDZLQFLZVVCDSF-GHMZBOCLSA-N 2 0 336.358 -0.064 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC000998723895 726495986 /nfs/dbraw/zinc/49/59/86/726495986.db2.gz SMAKOOAHVPTCRL-HUUCEWRRSA-N 2 0 338.452 -0.480 20 0 EBADRP CN(C(=O)c1ccn(CC[NH+](C)C)n1)C1CC([NH2+][C@H]2CCNC2=O)C1 ZINC000998786074 726497873 /nfs/dbraw/zinc/49/78/73/726497873.db2.gz PLWLINNAPMADAO-RUXDESIVSA-N 2 0 348.451 -0.474 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC000999402959 726518724 /nfs/dbraw/zinc/51/87/24/726518724.db2.gz LSMPUGABVURNTH-HIFPTAJRSA-N 2 0 336.440 -0.471 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC000999494469 726520876 /nfs/dbraw/zinc/52/08/76/726520876.db2.gz PYQIDYWSRPYMAZ-CYBMUJFWSA-N 2 0 326.441 -0.589 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCc1cn([C@H]2CC[NH+](CCCO)C2)nn1 ZINC000999963505 726545044 /nfs/dbraw/zinc/54/50/44/726545044.db2.gz RGIKCBULQHPLJM-LSDHHAIUSA-N 2 0 336.440 -0.382 20 0 EBADRP C[C@H](O)C[N@@H+]1CC[C@H](n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001000037135 726552322 /nfs/dbraw/zinc/55/23/22/726552322.db2.gz ZDCSPJPZTVXHFD-ZFWWWQNUSA-N 2 0 348.451 -0.382 20 0 EBADRP CC[C@H]([NH2+][C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1)C(N)=O ZINC001000576258 726571709 /nfs/dbraw/zinc/57/17/09/726571709.db2.gz ZHATXCIBJUKDQY-HIFRSBDPSA-N 2 0 340.468 -0.058 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001000919735 726583848 /nfs/dbraw/zinc/58/38/48/726583848.db2.gz QOSYVHHWRAELCW-HUUCEWRRSA-N 2 0 338.452 -0.623 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001000922021 726584031 /nfs/dbraw/zinc/58/40/31/726584031.db2.gz ZWPKZLALDXYUQJ-CQSZACIVSA-N 2 0 336.436 -0.188 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001001224294 726597681 /nfs/dbraw/zinc/59/76/81/726597681.db2.gz XLAJPOWZPSVIGB-HOTGVXAUSA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC001003337427 726670258 /nfs/dbraw/zinc/67/02/58/726670258.db2.gz RHHBDRBAMYEFHJ-UKRRQHHQSA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001004451756 726707617 /nfs/dbraw/zinc/70/76/17/726707617.db2.gz CJQMYCFICYIMFW-DZGCQCFKSA-N 2 0 334.464 -0.146 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCN2C(=O)CNC2=O)C1 ZINC001010381865 727081158 /nfs/dbraw/zinc/08/11/58/727081158.db2.gz DQAXUSQYIASXKU-QWHCGFSZSA-N 2 0 337.424 -0.787 20 0 EBADRP COc1nccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CCO2)n1 ZINC001051931566 735469098 /nfs/dbraw/zinc/46/90/98/735469098.db2.gz CZWIBYSRVKWTKW-DZGCQCFKSA-N 2 0 349.435 -0.246 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCO[C@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001051931426 735469155 /nfs/dbraw/zinc/46/91/55/735469155.db2.gz AMIYMFMOMSAIQY-LSDHHAIUSA-N 2 0 348.451 -0.322 20 0 EBADRP COc1cncc(C[NH2+]C[C@@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)n1 ZINC001051931950 735469840 /nfs/dbraw/zinc/46/98/40/735469840.db2.gz JDORZOXYRNLLST-OAHLLOKOSA-N 2 0 349.435 -0.102 20 0 EBADRP Cc1nn(C)cc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001051932592 735470626 /nfs/dbraw/zinc/47/06/26/735470626.db2.gz UBBMSMYIOMJLFL-GOEBONIOSA-N 2 0 335.452 -0.003 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001019664491 728969624 /nfs/dbraw/zinc/96/96/24/728969624.db2.gz BUHQJRZVMNMLQX-WCQYABFASA-N 2 0 345.403 -0.243 20 0 EBADRP Cn1cnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001020178804 729092063 /nfs/dbraw/zinc/09/20/63/729092063.db2.gz FOHJGRPKOJFZOF-XDQVBPFNSA-N 2 0 334.424 -0.585 20 0 EBADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1)C(N)=O ZINC001020407286 729160769 /nfs/dbraw/zinc/16/07/69/729160769.db2.gz XJUSIPHQMPTLFO-SNMVJIHASA-N 2 0 336.436 -0.650 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001020512092 729189637 /nfs/dbraw/zinc/18/96/37/729189637.db2.gz MGCBYYQIOMRPMO-AJNGGQMLSA-N 2 0 337.468 -0.021 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001020592580 729207100 /nfs/dbraw/zinc/20/71/00/729207100.db2.gz ITXIDKIKULIIBS-XDQVBPFNSA-N 2 0 348.451 -0.257 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001020928172 729257202 /nfs/dbraw/zinc/25/72/02/729257202.db2.gz XCWSBFBPSQKMSB-KKUMJFAQSA-N 2 0 338.452 -0.576 20 0 EBADRP CCN1CCO[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)NC)C1 ZINC001021464703 729315301 /nfs/dbraw/zinc/31/53/01/729315301.db2.gz JCRGELBIXFCDMA-DKUMPPAJSA-N 2 0 338.452 -0.435 20 0 EBADRP O=C(N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001022090027 729453494 /nfs/dbraw/zinc/45/34/94/729453494.db2.gz RUZUFJJXWQLCQR-ZNMIVQPWSA-N 2 0 348.447 -0.286 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC[N@@H+]1C ZINC001022109052 729456507 /nfs/dbraw/zinc/45/65/07/729456507.db2.gz CMQPYAYNKNROEN-MEBFFEOJSA-N 2 0 336.436 -0.241 20 0 EBADRP O=C(N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001022118961 729457144 /nfs/dbraw/zinc/45/71/44/729457144.db2.gz BBSBLSSICPQTKP-LXTVHRRPSA-N 2 0 334.424 -0.622 20 0 EBADRP Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)[nH]1 ZINC001022120149 729457899 /nfs/dbraw/zinc/45/78/99/729457899.db2.gz LGLDWPJAOQPKGH-XJFOESAGSA-N 2 0 334.424 -0.287 20 0 EBADRP Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)[nH]1 ZINC001022455183 729495557 /nfs/dbraw/zinc/49/55/57/729495557.db2.gz KASVRXFNPLLFRM-ZYZJXQEISA-N 2 0 346.435 -0.287 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnc4n3CCOC4)C2)C1 ZINC001022716517 729524305 /nfs/dbraw/zinc/52/43/05/729524305.db2.gz YNDFWDQUQABXRW-MELADBBJSA-N 2 0 348.451 -0.113 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001022715920 729524471 /nfs/dbraw/zinc/52/44/71/729524471.db2.gz ODJNMHYVZCTYHU-SOUVJXGZSA-N 2 0 338.452 -0.576 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001022975787 729567696 /nfs/dbraw/zinc/56/76/96/729567696.db2.gz URTJWZYYRMJWGJ-BARDWOONSA-N 2 0 343.493 0.000 20 0 EBADRP O=C(N[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001023029777 729581717 /nfs/dbraw/zinc/58/17/17/729581717.db2.gz GITTVLZPILLIGB-LKQDWFRTSA-N 2 0 334.420 -0.486 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCCS3(=O)=O)C2)C1 ZINC001023084747 729598033 /nfs/dbraw/zinc/59/80/33/729598033.db2.gz YQHCPLNEOFMKMV-MELADBBJSA-N 2 0 344.481 -0.790 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001023988876 729825060 /nfs/dbraw/zinc/82/50/60/729825060.db2.gz HBVWWXGSUDWDOK-UKRRQHHQSA-N 2 0 347.467 -0.120 20 0 EBADRP CC1CC[NH+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3ccnc3)C2)CC1 ZINC001024413225 729883466 /nfs/dbraw/zinc/88/34/66/729883466.db2.gz GEBAZPSVPDVGEV-HUUCEWRRSA-N 2 0 349.435 -0.697 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCCN(C)C4=O)C[C@H]32)C1 ZINC001026043515 730117600 /nfs/dbraw/zinc/11/76/00/730117600.db2.gz IALGXZFMVAZNFQ-DEQQHWRFSA-N 2 0 334.464 -0.005 20 0 EBADRP CN1CCC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC[NH+](C)C2)C1=O ZINC001026140417 730124439 /nfs/dbraw/zinc/12/44/39/730124439.db2.gz NWMUMECIXYRAKJ-DEQQHWRFSA-N 2 0 334.464 -0.005 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H](O)Cn4cccn4)C[C@H]32)C1 ZINC001026145989 730125477 /nfs/dbraw/zinc/12/54/77/730125477.db2.gz DGCBJPXQSHHXMD-ZVDSWSACSA-N 2 0 333.436 -0.758 20 0 EBADRP Cn1nnnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001026348274 730139734 /nfs/dbraw/zinc/13/97/34/730139734.db2.gz DUACNBQEDZNUPP-SOUVJXGZSA-N 2 0 347.467 -0.122 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)nc1=O ZINC001026891519 730167993 /nfs/dbraw/zinc/16/79/93/730167993.db2.gz XGNGCIHXKIOXFY-GFCCVEGCSA-N 2 0 336.440 -0.469 20 0 EBADRP O=C(N1CC[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1)C12CCC[NH+]1CCC2 ZINC001026939260 730173330 /nfs/dbraw/zinc/17/33/30/730173330.db2.gz CEPWCDJHYRUSLA-KGLIPLIRSA-N 2 0 348.447 -0.142 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nc1=O ZINC001027171033 730194848 /nfs/dbraw/zinc/19/48/48/730194848.db2.gz SXFVMSWHRMRUBO-OLZOCXBDSA-N 2 0 336.440 -0.612 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCN2C(=O)CCC2=O)C1 ZINC001028320623 730283403 /nfs/dbraw/zinc/28/34/03/730283403.db2.gz UBAOGTPCUIKUAM-KGLIPLIRSA-N 2 0 336.436 -0.332 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCN2C(=O)CCC2=O)C1 ZINC001028445878 730293290 /nfs/dbraw/zinc/29/32/90/730293290.db2.gz WMKRWZUVKAQPQB-UONOGXRCSA-N 2 0 336.436 -0.332 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCN2C(=O)CNC2=O)C1 ZINC001028448331 730293621 /nfs/dbraw/zinc/29/36/21/730293621.db2.gz DFJXYVAHMJSJNI-QWHCGFSZSA-N 2 0 337.424 -0.930 20 0 EBADRP C[C@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001028547401 730312355 /nfs/dbraw/zinc/31/23/55/730312355.db2.gz SORLKHXSKPROGG-CHWSQXEVSA-N 2 0 336.440 -0.630 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028757174 730352427 /nfs/dbraw/zinc/35/24/27/730352427.db2.gz AVTFKUHTJPGOPC-KGLIPLIRSA-N 2 0 326.441 -0.720 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001028778879 730355886 /nfs/dbraw/zinc/35/58/86/730355886.db2.gz NNQDTXVMUQVRBL-GXTWGEPZSA-N 2 0 336.436 -0.429 20 0 EBADRP C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001028859814 730363848 /nfs/dbraw/zinc/36/38/48/730363848.db2.gz IKIKODUUBMABJW-STQMWFEESA-N 2 0 336.440 -0.630 20 0 EBADRP C[C@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001028859808 730363919 /nfs/dbraw/zinc/36/39/19/730363919.db2.gz IKIKODUUBMABJW-CHWSQXEVSA-N 2 0 336.440 -0.630 20 0 EBADRP O=C(NC[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001028931675 730372270 /nfs/dbraw/zinc/37/22/70/730372270.db2.gz VISUQKFMJNFWCD-CYBMUJFWSA-N 2 0 349.435 -0.928 20 0 EBADRP O=C(NC[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001028933375 730372440 /nfs/dbraw/zinc/37/24/40/730372440.db2.gz OYFNNXXJMVKRNB-OLZOCXBDSA-N 2 0 334.420 -0.675 20 0 EBADRP C[C@H]([NH2+]Cc1nnnn1C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001029170328 730392369 /nfs/dbraw/zinc/39/23/69/730392369.db2.gz MTJFCUDFKOWSES-JSGCOSHPSA-N 2 0 335.456 -0.122 20 0 EBADRP C[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCC(=O)NC2=O)CC1 ZINC001029453539 730406318 /nfs/dbraw/zinc/40/63/18/730406318.db2.gz XVAZGPJUOVCOAS-QLFBSQMISA-N 2 0 348.447 -0.191 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3[C@H]2CCC(=O)NC2=O)C1 ZINC001029583080 730411731 /nfs/dbraw/zinc/41/17/31/730411731.db2.gz MNZWZTFVAKKICR-FQUUOJAGSA-N 2 0 334.420 -0.582 20 0 EBADRP CCN1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3[C@H]2CCNC2=O)C1 ZINC001029591737 730412320 /nfs/dbraw/zinc/41/23/20/730412320.db2.gz IQXRTGYGDDCIAH-XGUBFFRZSA-N 2 0 336.436 -0.729 20 0 EBADRP C[N@H+](C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1)[C@H]1CCC(=O)NC1=O ZINC001029905943 730523241 /nfs/dbraw/zinc/52/32/41/730523241.db2.gz XZEWANYYEVPWOI-KGLIPLIRSA-N 2 0 336.436 -0.332 20 0 EBADRP Cn1nccc1CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001031689102 730750942 /nfs/dbraw/zinc/75/09/42/730750942.db2.gz SCMNYGXGJSYLOM-IAGOWNOFSA-N 2 0 347.463 -0.126 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001031772486 730766677 /nfs/dbraw/zinc/76/66/77/730766677.db2.gz WDCJNEBFYLGQFM-JKSUJKDBSA-N 2 0 335.452 -0.224 20 0 EBADRP O=C(NCC1C[NH+](CCn2cccn2)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001031857212 730780582 /nfs/dbraw/zinc/78/05/82/730780582.db2.gz QJVIQTMLDJOSBJ-BFHRDPOASA-N 2 0 345.447 -0.206 20 0 EBADRP O=C(NCC1C[NH+](C[C@H]2CCOC2)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001031857452 730781292 /nfs/dbraw/zinc/78/12/92/730781292.db2.gz VNIDIBVLPRIILX-GEMJLEDKSA-N 2 0 335.448 -0.066 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NCC2C[NH+](CCn3cncn3)C2)cn1 ZINC001032043390 730806092 /nfs/dbraw/zinc/80/60/92/730806092.db2.gz HEFARLOTWFAVBN-UHFFFAOYSA-N 2 0 346.439 -0.602 20 0 EBADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001032960290 730952194 /nfs/dbraw/zinc/95/21/94/730952194.db2.gz QORBFEZNZSIOAR-ZIAGYGMSSA-N 2 0 336.436 -0.238 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001034610487 731145589 /nfs/dbraw/zinc/14/55/89/731145589.db2.gz RCTSYXTUKJVFJM-XDQVBPFNSA-N 2 0 336.436 -0.097 20 0 EBADRP C[N@H+](CC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1=O)C1CCC1 ZINC001034958075 731168036 /nfs/dbraw/zinc/16/80/36/731168036.db2.gz YSTFILPCFOOPTA-ZIAGYGMSSA-N 2 0 336.436 -0.144 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CCC[C@@H]2C[NH2+][C@H]2CCNC2=O)CC1 ZINC001035086694 731184374 /nfs/dbraw/zinc/18/43/74/731184374.db2.gz DHQWVORLRBNPOX-HIFRSBDPSA-N 2 0 338.452 -0.434 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)CCc2ncc[nH]2)C1 ZINC001039591721 731456063 /nfs/dbraw/zinc/45/60/63/731456063.db2.gz WVHBOYHWROSVJN-SUMWQHHRSA-N 2 0 349.435 -0.484 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001039760434 731523243 /nfs/dbraw/zinc/52/32/43/731523243.db2.gz MQOLMRQHEPFADK-RHSMWYFYSA-N 2 0 340.468 -0.641 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001039760372 731523376 /nfs/dbraw/zinc/52/33/76/731523376.db2.gz LXSXSLSJQKPJPV-RHSMWYFYSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@]1(O)CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001039786040 731534209 /nfs/dbraw/zinc/53/42/09/731534209.db2.gz NXVBEGPACRTFEO-QGZVFWFLSA-N 2 0 342.484 -0.250 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001039857854 731552061 /nfs/dbraw/zinc/55/20/61/731552061.db2.gz HZYWTSCUZYBZOT-CPUCHLNUSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040183564 731635104 /nfs/dbraw/zinc/63/51/04/731635104.db2.gz ZMODMRLTUQKWEP-QGZVFWFLSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC001040200560 731641247 /nfs/dbraw/zinc/64/12/47/731641247.db2.gz ISNRJVZXZOBEAA-CPUCHLNUSA-N 2 0 340.468 -0.500 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001040248928 731664942 /nfs/dbraw/zinc/66/49/42/731664942.db2.gz URXLUMXBJDDCDM-RHSMWYFYSA-N 2 0 340.468 -0.498 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001040447727 731737597 /nfs/dbraw/zinc/73/75/97/731737597.db2.gz SQVWOWPXQDEZDP-PBHICJAKSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001040494132 731758029 /nfs/dbraw/zinc/75/80/29/731758029.db2.gz ABQACSWTTPGZDD-RHSMWYFYSA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)C1 ZINC001040797602 731879051 /nfs/dbraw/zinc/87/90/51/731879051.db2.gz JZUYZHLAWWMBBH-WMLDXEAASA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001040798661 731879868 /nfs/dbraw/zinc/87/98/68/731879868.db2.gz UMJLVMPQXIUVTA-YOEHRIQHSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001040901448 731911018 /nfs/dbraw/zinc/91/10/18/731911018.db2.gz JTEXNAUPTPMDHK-PBHICJAKSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001040902114 731911421 /nfs/dbraw/zinc/91/14/21/731911421.db2.gz PHMVNFBJBQNLFW-KRWDZBQOSA-N 2 0 342.484 -0.252 20 0 EBADRP O=C(N1CC[C@]2(CC[N@@H+]([C@H]3CCNC3=O)C2)C1)C12CC[NH+](CC1)C2 ZINC001041788980 732226829 /nfs/dbraw/zinc/22/68/29/732226829.db2.gz KWJPMFQHTLFBMD-YOEHRIQHSA-N 2 0 332.448 -0.105 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041835415 732236125 /nfs/dbraw/zinc/23/61/25/732236125.db2.gz SVTCOMULCMPFJN-NVXWUHKLSA-N 2 0 325.453 -0.129 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@H]3CC[N@H+](CCO)[C@@H]3C2)cn1 ZINC001042266383 732381502 /nfs/dbraw/zinc/38/15/02/732381502.db2.gz MEGQGZODYDZIHA-GDBMZVCRSA-N 2 0 335.452 -0.027 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001061595473 738635108 /nfs/dbraw/zinc/63/51/08/738635108.db2.gz JULSKCWQABAVTH-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001043117069 732766519 /nfs/dbraw/zinc/76/65/19/732766519.db2.gz SKSOXTVVGKFWPY-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043432916 732937683 /nfs/dbraw/zinc/93/76/83/732937683.db2.gz OEUKJKUCSHJTOS-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@@H]1COCCN1C(=O)CC[NH+](C)C)[NH+](C)C ZINC001061657140 738676724 /nfs/dbraw/zinc/67/67/24/738676724.db2.gz DBZIRJCFOPDYSC-ZBFHGGJFSA-N 2 0 342.484 -0.132 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001061680989 738691874 /nfs/dbraw/zinc/69/18/74/738691874.db2.gz LLPLMDFMHAKXGC-OAHLLOKOSA-N 2 0 340.468 -0.377 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001044010841 733244593 /nfs/dbraw/zinc/24/45/93/733244593.db2.gz DQIHQCZMVYHPCD-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1)[NH+](C)C ZINC001044043895 733259842 /nfs/dbraw/zinc/25/98/42/733259842.db2.gz GQPRRNGJVMSNNO-KBPBESRZSA-N 2 0 340.468 -0.644 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)C[NH+](CC)CC)C1 ZINC001044291766 733361610 /nfs/dbraw/zinc/36/16/10/733361610.db2.gz ZIINFUAUPYYFFQ-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001044298358 733364720 /nfs/dbraw/zinc/36/47/20/733364720.db2.gz KBCGXXBTJVRAKG-CYBMUJFWSA-N 2 0 328.457 -0.642 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CCC[C@H]2C[NH2+][C@H]2CCNC2=O)CC1 ZINC001045256740 733637932 /nfs/dbraw/zinc/63/79/32/733637932.db2.gz DHQWVORLRBNPOX-ZFWWWQNUSA-N 2 0 338.452 -0.434 20 0 EBADRP CN1CCO[C@@H](C(=O)NC2(C)CC[NH+]([C@H]3CCCNC3=O)CC2)C1 ZINC001045397812 733686401 /nfs/dbraw/zinc/68/64/01/733686401.db2.gz PGBBFFHVFQSZOI-UONOGXRCSA-N 2 0 338.452 -0.434 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2(C)CC[NH+](CCN3CCNC3=O)CC2)C1 ZINC001045639281 733743380 /nfs/dbraw/zinc/74/33/80/733743380.db2.gz GKETVGSMVHCHEG-AWEZNQCLSA-N 2 0 337.468 -0.066 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1)[NH+](C)C ZINC001046037073 733821163 /nfs/dbraw/zinc/82/11/63/733821163.db2.gz LLCUTXYBOVLNSO-HOTGVXAUSA-N 2 0 326.485 -0.217 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CCN2C(=O)CNC2=O)C1 ZINC001046197722 733875006 /nfs/dbraw/zinc/87/50/06/733875006.db2.gz PCIQMCAFWXFIGU-LRDDRELGSA-N 2 0 337.424 -0.787 20 0 EBADRP C[C@]1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@H+](CCN2CCNC2=O)C1 ZINC001046323156 733908649 /nfs/dbraw/zinc/90/86/49/733908649.db2.gz HYWLERVXELQTIL-QAPCUYQASA-N 2 0 349.479 -0.066 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)C1 ZINC001046692547 734006874 /nfs/dbraw/zinc/00/68/74/734006874.db2.gz WLUZZKQSXCBPSD-KBPBESRZSA-N 2 0 340.468 -0.786 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCN3C(=O)CNC3=O)C2)C1 ZINC001046839093 734038392 /nfs/dbraw/zinc/03/83/92/734038392.db2.gz ORYANDXKFCVZJT-WBMJQRKESA-N 2 0 337.424 -0.930 20 0 EBADRP CN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001047383471 734167405 /nfs/dbraw/zinc/16/74/05/734167405.db2.gz COFMBAONMXVHDM-GJZGRUSLSA-N 2 0 341.431 -0.079 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001061858938 738789008 /nfs/dbraw/zinc/78/90/08/738789008.db2.gz ASWCDTMPJVYPJA-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001061859062 738789457 /nfs/dbraw/zinc/78/94/57/738789457.db2.gz DGTFBLLDEHNPMA-AWEZNQCLSA-N 2 0 338.452 -0.623 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001061860618 738790134 /nfs/dbraw/zinc/79/01/34/738790134.db2.gz YVEWROIKRPMHHF-KBPBESRZSA-N 2 0 326.441 -0.624 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001061862667 738791404 /nfs/dbraw/zinc/79/14/04/738791404.db2.gz WTDUPOSJSABMPX-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CN(CC(=O)N2CCC2)C[C@@H]1O ZINC001047595606 734273809 /nfs/dbraw/zinc/27/38/09/734273809.db2.gz HMQWQFVIJMPWDA-KKUMJFAQSA-N 2 0 338.452 -0.936 20 0 EBADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CN(Cc2cncn2C)C[C@@H]1O ZINC001047595594 734273913 /nfs/dbraw/zinc/27/39/13/734273913.db2.gz HILDUFLWFSVRNM-BPUTZDHNSA-N 2 0 335.452 -0.235 20 0 EBADRP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O ZINC001047596342 734274260 /nfs/dbraw/zinc/27/42/60/734274260.db2.gz RKSVYCKDAPGAAA-XIRDDKMYSA-N 2 0 349.479 -0.192 20 0 EBADRP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@@H]1O ZINC001047626828 734289277 /nfs/dbraw/zinc/28/92/77/734289277.db2.gz HAHWECBWENWGIG-PMPSAXMXSA-N 2 0 348.447 -0.660 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061899243 738804341 /nfs/dbraw/zinc/80/43/41/738804341.db2.gz UFRMNJBOJPNIGY-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048477874 734426429 /nfs/dbraw/zinc/42/64/29/734426429.db2.gz WTPPSTGYAWYSQS-QWHCGFSZSA-N 2 0 336.440 -0.612 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@@H]2C1 ZINC001048723494 734483949 /nfs/dbraw/zinc/48/39/49/734483949.db2.gz GGOPIBBBUXOZFP-MJBXVCDLSA-N 2 0 349.435 -0.977 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001048976636 734593998 /nfs/dbraw/zinc/59/39/98/734593998.db2.gz CVXLVBYMIXFVOU-GJZGRUSLSA-N 2 0 342.484 -0.302 20 0 EBADRP CN(C(=O)C[N@H+](C)C1CCC1)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001049003639 734609020 /nfs/dbraw/zinc/60/90/20/734609020.db2.gz OQNFLIOYKDPVIL-GJZGRUSLSA-N 2 0 340.468 -0.548 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+](CC(=O)NC4CC4)C[C@@H]3C2)C1 ZINC001049057278 734629096 /nfs/dbraw/zinc/62/90/96/734629096.db2.gz CWUHINMIEWQJFW-KFWWJZLASA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+]([C@@H]4CCN(C)C4=O)C[C@@H]3C2)C1 ZINC001049058498 734629873 /nfs/dbraw/zinc/62/98/73/734629873.db2.gz FHAJDOPIBBZZSS-CAOSSQGBSA-N 2 0 334.464 -0.051 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2C1 ZINC001049060299 734631277 /nfs/dbraw/zinc/63/12/77/734631277.db2.gz QXTVKMBCSBYWSD-LVQVYYBASA-N 2 0 332.452 -0.134 20 0 EBADRP CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]1O)[NH+](C)C ZINC001049119563 734652934 /nfs/dbraw/zinc/65/29/34/734652934.db2.gz QZCNIVXWOSVOPI-AJNGGQMLSA-N 2 0 342.484 -0.303 20 0 EBADRP CN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)C[C@H]4CC[NH+](C)C4)C[C@H]3C2)C1=O ZINC001049172140 734675311 /nfs/dbraw/zinc/67/53/11/734675311.db2.gz TYSBWMUKFQUMFH-LVQVYYBASA-N 2 0 334.464 -0.051 20 0 EBADRP CC[N@H+](C)CCC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)C[C@@H]1O ZINC001049543078 734750001 /nfs/dbraw/zinc/75/00/01/734750001.db2.gz SFKOQBBVOMYROK-KKUMJFAQSA-N 2 0 340.468 -0.690 20 0 EBADRP O=C(N1CC[C@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001050234391 734875990 /nfs/dbraw/zinc/87/59/90/734875990.db2.gz GSQOXLDQERZPCU-KBPBESRZSA-N 2 0 348.447 -0.284 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H]1CCC(=O)NC1=O)CC2 ZINC001050461020 734903079 /nfs/dbraw/zinc/90/30/79/734903079.db2.gz CPLWCSCDEWKRHA-KGLIPLIRSA-N 2 0 348.447 -0.190 20 0 EBADRP NC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC001050525201 734919070 /nfs/dbraw/zinc/91/90/70/734919070.db2.gz BNHANRAWZIKJBF-KGLIPLIRSA-N 2 0 336.436 -0.741 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC3(C2)CC[NH+](CCO)CC3)cn1 ZINC001050696481 734945641 /nfs/dbraw/zinc/94/56/41/734945641.db2.gz VSRDLJCZXKEKDI-UHFFFAOYSA-N 2 0 335.452 -0.025 20 0 EBADRP C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001051257883 735113709 /nfs/dbraw/zinc/11/37/09/735113709.db2.gz ASMMRVRSGKGRJH-GJZGRUSLSA-N 2 0 342.484 -0.131 20 0 EBADRP CCn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001051494416 735197671 /nfs/dbraw/zinc/19/76/71/735197671.db2.gz VCSNKFOPXPXJRA-CABCVRRESA-N 2 0 336.440 -0.291 20 0 EBADRP CC1CC[NH+](CC(=O)N2CC[C@@H](N3CC[NH+](CCO)CC3)C2)CC1 ZINC001052101365 735547230 /nfs/dbraw/zinc/54/72/30/735547230.db2.gz ODKIQYMTXJIHQA-QGZVFWFLSA-N 2 0 338.496 -0.071 20 0 EBADRP COCC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001055496318 736358271 /nfs/dbraw/zinc/35/82/71/736358271.db2.gz GHBNWCMEIGIZIE-ZDUSSCGKSA-N 2 0 326.441 -0.719 20 0 EBADRP COCC(=O)NCC[NH+]1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001055497253 736358499 /nfs/dbraw/zinc/35/84/99/736358499.db2.gz ZBEPGUOXPQIPHF-UHFFFAOYSA-N 2 0 328.457 -0.330 20 0 EBADRP CCOCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001055506985 736362632 /nfs/dbraw/zinc/36/26/32/736362632.db2.gz JOJDYTAQNHYOFJ-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP CSCC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001055509708 736363004 /nfs/dbraw/zinc/36/30/04/736363004.db2.gz AXVGTJBMSMHRPN-ZDUSSCGKSA-N 2 0 342.509 -0.002 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)C(F)F)CC2)C1 ZINC001055577996 736391156 /nfs/dbraw/zinc/39/11/56/736391156.db2.gz HIADGMGBSLGGCF-LLVKDONJSA-N 2 0 332.395 -0.100 20 0 EBADRP COCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001055644816 736419390 /nfs/dbraw/zinc/41/93/90/736419390.db2.gz FVSUYUQKYUURTB-DZGCQCFKSA-N 2 0 340.468 -0.473 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001055954783 736569530 /nfs/dbraw/zinc/56/95/30/736569530.db2.gz XIATVWFYQGSQRU-RHSMWYFYSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001056104339 736642962 /nfs/dbraw/zinc/64/29/62/736642962.db2.gz CVLKEGMAJOOVGF-PBHICJAKSA-N 2 0 342.484 -0.252 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC001057213891 737088841 /nfs/dbraw/zinc/08/88/41/737088841.db2.gz QIZAWIZJALSDKP-RBSFLKMASA-N 2 0 340.468 -0.642 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N(CCO)CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001057635686 737375034 /nfs/dbraw/zinc/37/50/34/737375034.db2.gz HBUQLUCWKFLFIT-OAHLLOKOSA-N 2 0 340.468 -0.783 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001057636710 737376850 /nfs/dbraw/zinc/37/68/50/737376850.db2.gz XIUYLPQHSITRCA-HUUCEWRRSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@@H](C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1)[NH+](C)C ZINC001057640329 737380516 /nfs/dbraw/zinc/38/05/16/737380516.db2.gz GZPIFWAFEISVON-AWEZNQCLSA-N 2 0 328.457 -0.641 20 0 EBADRP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001057658880 737396030 /nfs/dbraw/zinc/39/60/30/737396030.db2.gz GQHHZYXMUWAKOI-MRXNPFEDSA-N 2 0 344.500 -0.149 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001057816074 737446697 /nfs/dbraw/zinc/44/66/97/737446697.db2.gz RJXPKYPISJFITL-AWEZNQCLSA-N 2 0 348.463 -0.445 20 0 EBADRP CC[C@H](C(=O)NCCN(CCO)C(=O)C1([NH+](C)C)CCC1)[NH+](C)C ZINC001057875534 737494606 /nfs/dbraw/zinc/49/46/06/737494606.db2.gz ZIQQPPQMPAKLJA-CQSZACIVSA-N 2 0 342.484 -0.252 20 0 EBADRP C[NH+](C)CCC(=O)NCCN(CCO)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001057966362 737564844 /nfs/dbraw/zinc/56/48/44/737564844.db2.gz FHFSDKKBUOAZAW-HNNXBMFYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)C1CC[NH+](C)CC1 ZINC001057994429 737582671 /nfs/dbraw/zinc/58/26/71/737582671.db2.gz XQNWDESFVWXUFU-UHFFFAOYSA-N 2 0 342.484 -0.393 20 0 EBADRP CC[C@@H](C(=O)NCCN(CCO)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001058157539 737679718 /nfs/dbraw/zinc/67/97/18/737679718.db2.gz APVWRXSSWXFZJN-GJZGRUSLSA-N 2 0 342.484 -0.395 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001058163344 737686901 /nfs/dbraw/zinc/68/69/01/737686901.db2.gz DXVWNSXLWWDVAK-UHFFFAOYSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@@H](C(=O)N(CCO)CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001058168417 737690100 /nfs/dbraw/zinc/69/01/00/737690100.db2.gz DFUJTEFFBDPVGC-CABCVRRESA-N 2 0 342.484 -0.395 20 0 EBADRP CC[C@@H](C(=O)N(CCO)CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)C ZINC001058168748 737690644 /nfs/dbraw/zinc/69/06/44/737690644.db2.gz SYGHMBJULLBSEU-GJZGRUSLSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001058170127 737691873 /nfs/dbraw/zinc/69/18/73/737691873.db2.gz ZHJUQDYAHLBJRG-KBPBESRZSA-N 2 0 328.457 -0.785 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)CCC[NH+](C)C ZINC001058254216 737736724 /nfs/dbraw/zinc/73/67/24/737736724.db2.gz ZCVCPBRVBGGHQJ-UHFFFAOYSA-N 2 0 330.473 -0.393 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)C[NH+](C)C(C)C ZINC001058255089 737736875 /nfs/dbraw/zinc/73/68/75/737736875.db2.gz BMQXULVFBVAWKR-UHFFFAOYSA-N 2 0 330.473 -0.395 20 0 EBADRP CC[C@H](C(=O)NCCN(CCO)C(=O)C1(C[NH+](C)C)CC1)[NH+](C)C ZINC001058600428 737916129 /nfs/dbraw/zinc/91/61/29/737916129.db2.gz XLDWIQHGOYZEFT-CQSZACIVSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[C@@H](C(=O)NCCN(CCO)C(=O)C1(C[NH+](C)C)CC1)[NH+](C)C ZINC001058600427 737916341 /nfs/dbraw/zinc/91/63/41/737916341.db2.gz XLDWIQHGOYZEFT-AWEZNQCLSA-N 2 0 342.484 -0.395 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)C1(C[NH+](C)C)CC1 ZINC001058601549 737916625 /nfs/dbraw/zinc/91/66/25/737916625.db2.gz GZCDMGLLOJKEHC-UHFFFAOYSA-N 2 0 342.484 -0.395 20 0 EBADRP C[NH+](C)CC1(C(=O)N(CCO)CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001058601723 737916649 /nfs/dbraw/zinc/91/66/49/737916649.db2.gz OHSJZZNGRSQMDN-UHFFFAOYSA-N 2 0 340.468 -0.639 20 0 EBADRP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001058710427 737960876 /nfs/dbraw/zinc/96/08/76/737960876.db2.gz AVXRMFYFKJDTOX-UHFFFAOYSA-N 2 0 328.457 -0.783 20 0 EBADRP CC(C)[C@H](C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)[NH+](C)C ZINC001058710920 737961919 /nfs/dbraw/zinc/96/19/19/737961919.db2.gz VGTJSDSCULLAQP-OAHLLOKOSA-N 2 0 330.473 -0.539 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)CC[NH+](C)CC ZINC001058815231 738002684 /nfs/dbraw/zinc/00/26/84/738002684.db2.gz REOFOVACGJINCI-UHFFFAOYSA-N 2 0 344.500 -0.003 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)C[NH+]1CCC[C@@H]1C ZINC001058844065 738023332 /nfs/dbraw/zinc/02/33/32/738023332.db2.gz SBKPVGBHZUASDI-HNNXBMFYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001058844139 738023496 /nfs/dbraw/zinc/02/34/96/738023496.db2.gz UQGDECWODRTEMC-GJZGRUSLSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001058845337 738025853 /nfs/dbraw/zinc/02/58/53/738025853.db2.gz LCZKYGGUSWEBKD-OAHLLOKOSA-N 2 0 342.484 -0.393 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1 ZINC001058845748 738026166 /nfs/dbraw/zinc/02/61/66/738026166.db2.gz VQCUBGOXMHCKNK-OAHLLOKOSA-N 2 0 340.468 -0.496 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC001058849361 738031810 /nfs/dbraw/zinc/03/18/10/738031810.db2.gz SMUAVQKPVUWLEG-CABCVRRESA-N 2 0 342.484 -0.539 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNC(=O)C[NH+]3CCCC3)C2)C1 ZINC001065170043 739575112 /nfs/dbraw/zinc/57/51/12/739575112.db2.gz UVONBMZSICJNDO-HUUCEWRRSA-N 2 0 338.452 -0.623 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065171059 739576412 /nfs/dbraw/zinc/57/64/12/739576412.db2.gz CAAJEQYYPULAKN-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001065178097 739581977 /nfs/dbraw/zinc/58/19/77/739581977.db2.gz NIVQNQRMVGQXEM-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001065254407 739614965 /nfs/dbraw/zinc/61/49/65/739614965.db2.gz UVGWITFJQLKWAL-LSDHHAIUSA-N 2 0 340.468 -0.236 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001065257154 739616212 /nfs/dbraw/zinc/61/62/12/739616212.db2.gz PUPNPQTYCKIQIO-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC001065318255 739650657 /nfs/dbraw/zinc/65/06/57/739650657.db2.gz QVXHLZBEARGUTQ-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)CO2 ZINC001068764500 740440137 /nfs/dbraw/zinc/44/01/37/740440137.db2.gz RQPDJRDTVXBEIC-KGLIPLIRSA-N 2 0 338.452 -0.482 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2n2ccnn2)CC1 ZINC001070012787 740657140 /nfs/dbraw/zinc/65/71/40/740657140.db2.gz OLKMIQPYTSAYCD-CABCVRRESA-N 2 0 336.440 -0.656 20 0 EBADRP C[NH+](C)CCC(=O)NCC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001070122435 740709696 /nfs/dbraw/zinc/70/96/96/740709696.db2.gz WTHGZFBTPFLLMF-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP O=C(N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001070318696 740785428 /nfs/dbraw/zinc/78/54/28/740785428.db2.gz DGAFZGVSUJHZMR-YCPHGPKFSA-N 2 0 334.424 -0.902 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2[NH2+]CCO)c1 ZINC001070500761 740850580 /nfs/dbraw/zinc/85/05/80/740850580.db2.gz GKVLUQYYQPZXOS-IMJJTQAJSA-N 2 0 335.452 -0.363 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2[NH2+]CCO)c1 ZINC001070506060 740851964 /nfs/dbraw/zinc/85/19/64/740851964.db2.gz WLMYGDVPUQNBJR-IMJJTQAJSA-N 2 0 335.452 -0.219 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001070534819 740857787 /nfs/dbraw/zinc/85/77/87/740857787.db2.gz OPNDJOHSVMTMOW-YUTCNCBUSA-N 2 0 336.440 -0.870 20 0 EBADRP Cn1cncc1[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CC(N)=O ZINC001070655536 740911218 /nfs/dbraw/zinc/91/12/18/740911218.db2.gz QIIASPQIFHQVHP-XJKCOSOUSA-N 2 0 348.451 -0.870 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)CC[NH+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001072981966 741534312 /nfs/dbraw/zinc/53/43/12/741534312.db2.gz WXUJMBKEYIKBJZ-ZIAGYGMSSA-N 2 0 348.447 -0.190 20 0 EBADRP C[NH+](C)CCC(=O)NCC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001074592956 742015661 /nfs/dbraw/zinc/01/56/61/742015661.db2.gz BTLQSAUPQLDAIS-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001075042364 742166427 /nfs/dbraw/zinc/16/64/27/742166427.db2.gz MCVICGSQBRITQH-AVGNSLFASA-N 2 0 336.440 -0.471 20 0 EBADRP C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001075804162 742302880 /nfs/dbraw/zinc/30/28/80/742302880.db2.gz YUXALKZYPGIWGR-IJEWVQPXSA-N 2 0 335.452 -0.028 20 0 EBADRP C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001075804163 742303195 /nfs/dbraw/zinc/30/31/95/742303195.db2.gz YUXALKZYPGIWGR-OFQRWUPVSA-N 2 0 335.452 -0.028 20 0 EBADRP CN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1=O ZINC001076465887 742477069 /nfs/dbraw/zinc/47/70/69/742477069.db2.gz ZTHRATCFCJUEHW-RRFJBIMHSA-N 2 0 332.448 -0.154 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)NC(=O)[C@H]1CN(C)CCO1 ZINC001076923533 742646289 /nfs/dbraw/zinc/64/62/89/742646289.db2.gz VZCNMYZIYSZZAA-UONOGXRCSA-N 2 0 328.457 -0.332 20 0 EBADRP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001077015251 742696435 /nfs/dbraw/zinc/69/64/35/742696435.db2.gz JLYDWVZDOPOFRS-FPCVCCKLSA-N 2 0 325.453 -0.086 20 0 EBADRP CC[C@H](C(=O)NCC[C@H](C)NC(=O)COCC[NH+](C)C)[NH+](C)C ZINC001077150106 742756365 /nfs/dbraw/zinc/75/63/65/742756365.db2.gz KBJGXHYDSBHBLB-UONOGXRCSA-N 2 0 330.473 -0.084 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[C@H]([NH2+]CC(N)=O)C23CCC3)n1 ZINC001078629765 743712533 /nfs/dbraw/zinc/71/25/33/743712533.db2.gz OTGDHMPMNSOQCU-UONOGXRCSA-N 2 0 348.451 -0.439 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2CCC[C@@H]([NH2+]CC(N)=O)C2)cn1 ZINC000981383209 806158518 /nfs/dbraw/zinc/15/85/18/806158518.db2.gz ZTZBABVZJRTPJP-KGLIPLIRSA-N 2 0 336.440 -0.439 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000982783267 806700807 /nfs/dbraw/zinc/70/08/07/806700807.db2.gz ROGUXVCGQMBBCU-CABCVRRESA-N 2 0 334.464 -0.001 20 0 EBADRP O=C(C(F)C(=O)N1CC[C@@H]([NH+]2CCC2)C1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912904365 803804348 /nfs/dbraw/zinc/80/43/48/803804348.db2.gz XKMZERQQRRZHJE-ZIAGYGMSSA-N 2 0 338.427 -0.062 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000977206611 804222701 /nfs/dbraw/zinc/22/27/01/804222701.db2.gz DVNWTPSANTYUGY-ZVDSWSACSA-N 2 0 346.475 -0.147 20 0 EBADRP CN1CCC[C@@H]([N@H+]2C[C@@H]3[C@@H](CNC(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1=O ZINC000978958701 805064118 /nfs/dbraw/zinc/06/41/18/805064118.db2.gz JEDSBNUMNUGEEY-LVQVYYBASA-N 2 0 346.475 -0.003 20 0 EBADRP O=C(NC[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000978964914 805065285 /nfs/dbraw/zinc/06/52/85/805065285.db2.gz VXHZYBOHNSAMSY-YIYPIFLZSA-N 2 0 346.431 -0.819 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC000979087480 805128530 /nfs/dbraw/zinc/12/85/30/805128530.db2.gz PWRKMYFVUBVMRW-ZQDZILKHSA-N 2 0 348.447 -0.619 20 0 EBADRP C[C@@H]([NH2+]Cc1cnnn1C)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC000979450284 805387113 /nfs/dbraw/zinc/38/71/13/805387113.db2.gz NJECCPFCJBYKFV-UKRRQHHQSA-N 2 0 348.451 -0.384 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnc3n2CCOC3)C1 ZINC000983327537 806990779 /nfs/dbraw/zinc/99/07/79/806990779.db2.gz XGBNEXYNICEECN-IHRRRGAJSA-N 2 0 348.451 -0.113 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000983690433 807082804 /nfs/dbraw/zinc/08/28/04/807082804.db2.gz CGVDCYIYUXZIIV-UBHSHLNASA-N 2 0 333.440 -0.464 20 0 EBADRP O=C(N[C@H]1C[C@H](C[NH2+]Cc2cnon2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000983715289 807087492 /nfs/dbraw/zinc/08/74/92/807087492.db2.gz HQUVYDUXDDWPAK-GBOPCIDUSA-N 2 0 335.408 -0.083 20 0 EBADRP Cc1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)[nH]1 ZINC000983717193 807088907 /nfs/dbraw/zinc/08/89/07/807088907.db2.gz YXVAUKBNADLKJU-AJNGGQMLSA-N 2 0 348.451 -0.039 20 0 EBADRP O=C(N[C@H]1C[C@H](C[NH2+]Cc2cnon2)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000984358792 807266022 /nfs/dbraw/zinc/26/60/22/807266022.db2.gz XTQBPDMCFJMSCL-NLRZMLPPSA-N 2 0 347.419 -0.083 20 0 EBADRP C[C@@H]1[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986831847 807784591 /nfs/dbraw/zinc/78/45/91/807784591.db2.gz WGPOMZRTMMHGOV-DGCLKSJQSA-N 2 0 336.440 -0.471 20 0 EBADRP C[C@H]1[C@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987354705 807898611 /nfs/dbraw/zinc/89/86/11/807898611.db2.gz DVZMBDVKANMLOJ-QWHCGFSZSA-N 2 0 349.435 -0.787 20 0 EBADRP C[C@@H]1[C@@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)C[NH+]1CCCC1 ZINC000987534185 807953437 /nfs/dbraw/zinc/95/34/37/807953437.db2.gz VJYAGBLLYZQKAZ-KGLIPLIRSA-N 2 0 336.436 -0.190 20 0 EBADRP C[C@@H]1C[C@@H]([NH2+]CCN2CCNC2=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989684782 808556918 /nfs/dbraw/zinc/55/69/18/808556918.db2.gz XAOXFMOPKKXMLP-ZIAGYGMSSA-N 2 0 335.452 -0.314 20 0 EBADRP C[C@@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989685423 808556962 /nfs/dbraw/zinc/55/69/62/808556962.db2.gz BLLXXEAZZRXHSE-KGLIPLIRSA-N 2 0 348.447 -0.190 20 0 EBADRP C[C@@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)CN1C(=O)C[NH+]1CCCC1 ZINC000989795947 808596939 /nfs/dbraw/zinc/59/69/39/808596939.db2.gz DZMNXSZYKBGJII-OLZOCXBDSA-N 2 0 337.424 -0.787 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214343825 810240292 /nfs/dbraw/zinc/24/02/92/810240292.db2.gz HMHUPLHMMBNOBF-JHJVBQTASA-N 2 0 339.440 -0.637 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CCOCCO ZINC001214645524 810268733 /nfs/dbraw/zinc/26/87/33/810268733.db2.gz BVGWMYHELOJDHY-FVQBIDKESA-N 2 0 325.453 -0.226 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC001214952727 810294974 /nfs/dbraw/zinc/29/49/74/810294974.db2.gz JJUPSPZHNLXBPO-JHJVBQTASA-N 2 0 341.456 -0.391 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001214998335 810298562 /nfs/dbraw/zinc/29/85/62/810298562.db2.gz VBSYLIIOFOOYSF-CHWSQXEVSA-N 2 0 348.513 -0.298 20 0 EBADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001216090395 810357896 /nfs/dbraw/zinc/35/78/96/810357896.db2.gz GTKQYNWULXGFJC-UKRRQHHQSA-N 2 0 340.468 -0.378 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COCCOC)C1 ZINC001216226149 810363845 /nfs/dbraw/zinc/36/38/45/810363845.db2.gz NUSCJGIPXUAUHJ-BZUAXINKSA-N 2 0 345.484 -0.211 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001216221235 810364301 /nfs/dbraw/zinc/36/43/01/810364301.db2.gz GCJLGRAHCYPAIM-VXGBXAGGSA-N 2 0 327.429 -0.780 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC001216410238 810373220 /nfs/dbraw/zinc/37/32/20/810373220.db2.gz WDSHNHHNXRWQLJ-BZUAXINKSA-N 2 0 347.463 -0.224 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001216757592 810385538 /nfs/dbraw/zinc/38/55/38/810385538.db2.gz DTRFLFXWNIUEFL-FRRDWIJNSA-N 2 0 339.440 -0.637 20 0 EBADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1C[NH2+]CCOC1 ZINC001218042705 810472576 /nfs/dbraw/zinc/47/25/76/810472576.db2.gz UFMHWIWZNDNPSG-VIFPVBQESA-N 2 0 340.380 -0.872 20 0 EBADRP CN(C)C(=O)[C@@H]([NH3+])Cc1ccc(O)c(O[C@@H]2C[C@H]3C[NH2+]CCN3C2)c1 ZINC001218107945 810477470 /nfs/dbraw/zinc/47/74/70/810477470.db2.gz VPWYEKFRMHIRNY-ZNMIVQPWSA-N 2 0 348.447 -0.225 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1n[nH]cc1Br ZINC001218509658 810495655 /nfs/dbraw/zinc/49/56/55/810495655.db2.gz WYQJIRBLAGTWKY-VIFPVBQESA-N 2 0 331.218 -0.139 20 0 EBADRP CN1CCN(c2ncccc2NC(=O)[C@@H]([NH3+])CSCC[NH3+])CC1 ZINC001218555401 810501982 /nfs/dbraw/zinc/50/19/82/810501982.db2.gz JKPUOXWDBXFICJ-LBPRGKRZSA-N 2 0 338.481 -0.209 20 0 EBADRP COC(=O)c1c[nH]c(C(=O)OC)c1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218596554 810509010 /nfs/dbraw/zinc/50/90/10/810509010.db2.gz JNFYCVFLKBOHMR-QMMMGPOBSA-N 2 0 344.393 -0.454 20 0 EBADRP Nc1cn(C(=O)[C@@]2(N)CCC[NH2+]C2)ccc1=[NH+]CCN1CCOCC1 ZINC001218619606 810510855 /nfs/dbraw/zinc/51/08/55/810510855.db2.gz ITHDYIRKXSQYJG-QGZVFWFLSA-N 2 0 348.451 -0.976 20 0 EBADRP COc1nc(Cl)ncc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218634336 810513968 /nfs/dbraw/zinc/51/39/68/810513968.db2.gz KQNJWQCSDQNWAT-VIFPVBQESA-N 2 0 328.804 -0.173 20 0 EBADRP Nc1cccnc1N(C(=O)[C@@]12C[NH2+]C[C@@H]1CCN2)C1CC[NH2+]CC1 ZINC001218695089 810520744 /nfs/dbraw/zinc/52/07/44/810520744.db2.gz LUYXIBZWXPZCCS-YVEFUNNKSA-N 2 0 330.436 -0.300 20 0 EBADRP O=C(Nc1cc([C@H]2CCC[NH2+]2)no1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001218714620 810522318 /nfs/dbraw/zinc/52/23/18/810522318.db2.gz ZTYCEKGKHCTMTQ-NXEZZACHSA-N 2 0 340.405 -0.186 20 0 EBADRP [NH3+]C1CCN(c2ccc(NC(=O)[C@@H]3COC4(C[NH2+]C4)CN3)cn2)CC1 ZINC001218725069 810523693 /nfs/dbraw/zinc/52/36/93/810523693.db2.gz QQGMFFLJZSAUMI-AWEZNQCLSA-N 2 0 346.435 -0.722 20 0 EBADRP COCCOc1cc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)ccn1 ZINC001218807404 810533615 /nfs/dbraw/zinc/53/36/15/810533615.db2.gz VJPIIKJGWSXAPB-AWEZNQCLSA-N 2 0 337.424 -0.204 20 0 EBADRP COCCOc1cc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)ccn1 ZINC001218807405 810533669 /nfs/dbraw/zinc/53/36/69/810533669.db2.gz VJPIIKJGWSXAPB-CQSZACIVSA-N 2 0 337.424 -0.204 20 0 EBADRP [NH3+][C@H]1CN[C@H](C(=O)Nc2ccc(N3CC[NH+](CCO)CC3)cc2)C1 ZINC001218874054 810538349 /nfs/dbraw/zinc/53/83/49/810538349.db2.gz OSSKDKLLRXIEIS-CJNGLKHVSA-N 2 0 333.436 -0.571 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc2c(cnn2CCO)c1 ZINC001218879764 810538844 /nfs/dbraw/zinc/53/88/44/810538844.db2.gz YGDUUZOWDBZVLW-HNNXBMFYSA-N 2 0 346.435 -0.283 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc2c(cnn2CCO)c1 ZINC001218879765 810539127 /nfs/dbraw/zinc/53/91/27/810539127.db2.gz YGDUUZOWDBZVLW-OAHLLOKOSA-N 2 0 346.435 -0.283 20 0 EBADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]CC[C@H]1O ZINC001218880205 810539976 /nfs/dbraw/zinc/53/99/76/810539976.db2.gz UNRYWJXLDGRUMJ-UKRRQHHQSA-N 2 0 332.404 -0.359 20 0 EBADRP O=C(N1CCO[C@@H]2CN(CCOCCO)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001218965260 810549599 /nfs/dbraw/zinc/54/95/99/810549599.db2.gz IIGKSSPITBBWAA-LSDHHAIUSA-N 2 0 339.436 -0.997 20 0 EBADRP COc1cc2c(cc1NC(=O)C[C@H]([NH3+])CO)NC(=O)[C@]21CC[NH2+]C1 ZINC001219500735 810724451 /nfs/dbraw/zinc/72/44/51/810724451.db2.gz HNRIRVDZIDLBCP-FVMDXXJSSA-N 2 0 334.376 -0.473 20 0 EBADRP COc1cc2c(cc1NC(=O)CNCC[NH3+])NC(=O)[C@@]21CC[NH2+]C1 ZINC001219503778 810725293 /nfs/dbraw/zinc/72/52/93/810725293.db2.gz NKFCNDKYOZMVCG-MRXNPFEDSA-N 2 0 333.392 -0.635 20 0 EBADRP COc1cc2c(cc1NC(=O)CNCCC[NH3+])NC(=O)[C@]21CC[NH2+]C1 ZINC001219503606 810725654 /nfs/dbraw/zinc/72/56/54/810725654.db2.gz LRJFGQDVDWLCLB-KRWDZBQOSA-N 2 0 347.419 -0.245 20 0 EBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2 ZINC001219542285 810741787 /nfs/dbraw/zinc/74/17/87/810741787.db2.gz QFIIBNWRWGPJTI-SCDSUCTJSA-N 2 0 330.388 -0.059 20 0 EBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2 ZINC001219542286 810741964 /nfs/dbraw/zinc/74/19/64/810741964.db2.gz QFIIBNWRWGPJTI-VHRBIJSZSA-N 2 0 330.388 -0.059 20 0 EBADRP C[NH+](C)CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001219553783 810748664 /nfs/dbraw/zinc/74/86/64/810748664.db2.gz LSABWSXZFPYLBF-STQMWFEESA-N 2 0 328.457 -0.202 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCCn1ccnc1 ZINC001219564173 810751890 /nfs/dbraw/zinc/75/18/90/810751890.db2.gz ULSJFROLSDKUIG-KBPBESRZSA-N 2 0 336.440 -0.553 20 0 EBADRP O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219609869 810769350 /nfs/dbraw/zinc/76/93/50/810769350.db2.gz GQRNDDLYGMDPQL-KWQFWETISA-N 2 0 341.355 -0.826 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001018872288 810771317 /nfs/dbraw/zinc/77/13/17/810771317.db2.gz CTZKVGHVSWLYPX-SOUVJXGZSA-N 2 0 337.468 -0.068 20 0 EBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001219618109 810773134 /nfs/dbraw/zinc/77/31/34/810773134.db2.gz VDPWLXFWVYKSCU-JLJPHGGASA-N 3 0 342.459 -0.371 20 0 EBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001219651245 810785354 /nfs/dbraw/zinc/78/53/54/810785354.db2.gz UUZIDXYMBINABW-AVGNSLFASA-N 2 0 328.457 -0.393 20 0 EBADRP O=C(NCCC1(O)C[NH2+]C1)[C@@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001219696719 810799705 /nfs/dbraw/zinc/79/97/05/810799705.db2.gz MBLFXRRFSNTJKP-INIZCTEOSA-N 2 0 344.459 -0.451 20 0 EBADRP O=C(NCCC1(O)C[NH2+]C1)[C@@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001219697879 810800245 /nfs/dbraw/zinc/80/02/45/810800245.db2.gz ZNVMUIMOVYCRQK-HNNXBMFYSA-N 2 0 331.416 -0.091 20 0 EBADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001219736955 810817304 /nfs/dbraw/zinc/81/73/04/810817304.db2.gz LLCCZHKXOWDDBY-HOCLYGCPSA-N 3 0 336.480 -0.055 20 0 EBADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC001219736698 810817547 /nfs/dbraw/zinc/81/75/47/810817547.db2.gz FNVRPQWCSIWUOG-KGLIPLIRSA-N 2 0 332.404 -0.850 20 0 EBADRP O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)c1cccnc1O[C@H]1CC[NH2+]C1 ZINC001219765935 810830909 /nfs/dbraw/zinc/83/09/09/810830909.db2.gz IOTNXKWPRMOKSQ-ILXRZTDVSA-N 2 0 345.447 -0.154 20 0 EBADRP O=C(NC[C@]1(F)CCC[NH2+]C1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219767920 810832933 /nfs/dbraw/zinc/83/29/33/810832933.db2.gz HZBWQWBMDXYZRL-DOMZBBRYSA-N 2 0 347.456 -0.391 20 0 EBADRP O=C(NC[C@@]1(F)CCC[NH2+]C1)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219769405 810833197 /nfs/dbraw/zinc/83/31/97/810833197.db2.gz VYMCZUOZUZDISE-IUODEOHRSA-N 2 0 336.415 -0.263 20 0 EBADRP O=C(NC[C@]1(F)CCC[NH2+]C1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001219767623 810833830 /nfs/dbraw/zinc/83/38/30/810833830.db2.gz AEFXFXPTGQNZIG-XEZPLFJOSA-N 2 0 326.416 -0.063 20 0 EBADRP O=C(NCC[C@@H]1C[NH2+]Cc2cccn2C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219787463 810839565 /nfs/dbraw/zinc/83/95/65/810839565.db2.gz DYQBDPVVVDOKRV-IIDMSEBBSA-N 3 0 331.464 -0.087 20 0 EBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001219787388 810839683 /nfs/dbraw/zinc/83/96/83/810839683.db2.gz CDLBSSXCVUTJIV-HIFRSBDPSA-N 2 0 333.436 -0.337 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219801177 810849358 /nfs/dbraw/zinc/84/93/58/810849358.db2.gz VDZXSLGWVVOUEV-OLZOCXBDSA-N 2 0 326.441 -0.639 20 0 EBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219803515 810850508 /nfs/dbraw/zinc/85/05/08/810850508.db2.gz WGAXCEQTLGQQGO-KBPBESRZSA-N 2 0 326.441 -0.495 20 0 EBADRP C[N@H+](CC(=O)N[C@@H]1CN(CC(=O)NC(C)(C)C)C[C@@H]1O)C1CCC1 ZINC001219811890 810856249 /nfs/dbraw/zinc/85/62/49/810856249.db2.gz AWAXYUYWSZHPHE-KGLIPLIRSA-N 2 0 340.468 -0.453 20 0 EBADRP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219822485 810861964 /nfs/dbraw/zinc/86/19/64/810861964.db2.gz CXVPNNBEPBLRIL-WDEREUQCSA-N 2 0 341.458 -0.215 20 0 EBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001219833754 810868331 /nfs/dbraw/zinc/86/83/31/810868331.db2.gz IRFJPRXLCWFSHH-HNLJFRNMSA-N 2 0 339.436 -0.735 20 0 EBADRP [NH3+][C@H](C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1ccc(O)cc1 ZINC001219834354 810868569 /nfs/dbraw/zinc/86/85/69/810868569.db2.gz QBQMZXMQDYIOEH-ISTRZQFTSA-N 2 0 335.404 -0.097 20 0 EBADRP CO[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)C1 ZINC001219838579 810870712 /nfs/dbraw/zinc/87/07/12/810870712.db2.gz RYSZKTSWSCQAIV-NYTXWWLZSA-N 2 0 327.425 -0.735 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219836631 810871091 /nfs/dbraw/zinc/87/10/91/810871091.db2.gz BCHMNBBBOZAATB-YCPHGPKFSA-N 3 0 328.457 -0.656 20 0 EBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1noc2c1C[NH2+]CC2 ZINC001219844559 810874924 /nfs/dbraw/zinc/87/49/24/810874924.db2.gz NYHVRVXLHAEKGL-BZNIZROVSA-N 2 0 336.392 -0.555 20 0 EBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1cncc2c1CC[NH2+]C2 ZINC001219843810 810875333 /nfs/dbraw/zinc/87/53/33/810875333.db2.gz DBZARZURXZEDGL-ACJLOTCBSA-N 2 0 346.431 -0.148 20 0 EBADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1cnc2n1CC[NH2+]CC2 ZINC001219844625 810875653 /nfs/dbraw/zinc/87/56/53/810875653.db2.gz OUAGXWKGZOCZRJ-SUMWQHHRSA-N 2 0 349.435 -0.846 20 0 EBADRP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854516 810880837 /nfs/dbraw/zinc/88/08/37/810880837.db2.gz KYZQWXZDEZFMAX-CBBWQLFWSA-N 2 0 333.388 -0.450 20 0 EBADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001219854593 810880987 /nfs/dbraw/zinc/88/09/87/810880987.db2.gz MGJRWYSXDLYBSC-OCVGTWLNSA-N 2 0 334.420 -0.281 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN([C@H]2CCCN(C)C2=O)C[C@@H]1O ZINC001219902388 810902114 /nfs/dbraw/zinc/90/21/14/810902114.db2.gz ALEYRNABFNEPRZ-RDBSUJKOSA-N 2 0 340.468 -0.501 20 0 EBADRP CCCC[C@H](C(N)=O)N1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001219904650 810902708 /nfs/dbraw/zinc/90/27/08/810902708.db2.gz KBCUFGFGEIAZNL-MCIONIFRSA-N 2 0 342.484 -0.078 20 0 EBADRP CCn1c(N)c(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])c(=O)n(CC)c1=O ZINC001219971845 810931067 /nfs/dbraw/zinc/93/10/67/810931067.db2.gz CIOGOWZBSLCSCC-JTQLQIEISA-N 2 0 340.428 -0.583 20 0 EBADRP Cn1c(=O)[nH]c(=O)c(N=O)c1NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219984237 810936548 /nfs/dbraw/zinc/93/65/48/810936548.db2.gz APISQAHVMBDASV-MRVPVSSYSA-N 2 0 336.352 -0.304 20 0 EBADRP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001220008921 810945915 /nfs/dbraw/zinc/94/59/15/810945915.db2.gz OGMVPTNPJWALTL-KFWWJZLASA-N 2 0 334.376 -0.884 20 0 EBADRP [NH3+]CC1(N(Cc2ccccc2)C(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)COC1 ZINC001220020718 810951879 /nfs/dbraw/zinc/95/18/79/810951879.db2.gz SKOFNCUCVPFXMW-MAUKXSAKSA-N 2 0 330.432 -0.306 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CCC3(C[NH+](CCO)C3)CC2)n1 ZINC001035708300 810997214 /nfs/dbraw/zinc/99/72/14/810997214.db2.gz YZFSCEFGAYEVSX-UHFFFAOYSA-N 2 0 335.452 -0.025 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1cc[nH]c(=O)c1 ZINC001220147306 811000459 /nfs/dbraw/zinc/00/04/59/811000459.db2.gz AJFVKNFDVCKRRZ-KBPBESRZSA-N 2 0 349.435 -0.149 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220161500 811004136 /nfs/dbraw/zinc/00/41/36/811004136.db2.gz CSLZWVHKVXUDRN-GXTWGEPZSA-N 2 0 332.470 -0.755 20 0 EBADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001220159675 811004756 /nfs/dbraw/zinc/00/47/56/811004756.db2.gz QPMNCLBIPCRGRH-KKUMJFAQSA-N 3 0 339.484 -0.356 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC1 ZINC001220200897 811013898 /nfs/dbraw/zinc/01/38/98/811013898.db2.gz YYOXQUNOPXPZRY-AWEZNQCLSA-N 2 0 326.441 -0.447 20 0 EBADRP COC(=O)[C@@]1(NC(=O)[C@@H](N)CC[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC001220228232 811025974 /nfs/dbraw/zinc/02/59/74/811025974.db2.gz FSFLCKIPAZUNSL-WMLDXEAASA-N 2 0 334.420 -0.404 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@@H]2O)CC1 ZINC001220230882 811027703 /nfs/dbraw/zinc/02/77/03/811027703.db2.gz SBQQYUPGXBPOFZ-MJBXVCDLSA-N 2 0 348.451 -0.732 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O ZINC001220238592 811032732 /nfs/dbraw/zinc/03/27/32/811032732.db2.gz XIBVZGJPTBVZHO-MCIONIFRSA-N 2 0 336.440 -0.732 20 0 EBADRP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CC[NH2+]C1 ZINC001220282164 811045917 /nfs/dbraw/zinc/04/59/17/811045917.db2.gz HGAGFLBVTXSIHR-WFASDCNBSA-N 2 0 329.404 -0.368 20 0 EBADRP O=C(NCc1ncn2c1C[NH2+]CCC2)[C@@H]1C[NH2+]Cc2ccnn2C1 ZINC001220311989 811052459 /nfs/dbraw/zinc/05/24/59/811052459.db2.gz VNKKRAUKWINNHL-GFCCVEGCSA-N 2 0 329.408 -0.391 20 0 EBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220315927 811052996 /nfs/dbraw/zinc/05/29/96/811052996.db2.gz KKTFXHWYAOAEHC-MBNYWOFBSA-N 2 0 330.454 -0.832 20 0 EBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220321196 811056980 /nfs/dbraw/zinc/05/69/80/811056980.db2.gz SOCNMEZJCBNJFS-OFQRWUPVSA-N 2 0 326.441 -0.353 20 0 EBADRP Cn1cc(Br)c(CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)n1 ZINC001220335753 811059149 /nfs/dbraw/zinc/05/91/49/811059149.db2.gz SNXSLNVQOOXEDB-NOZJJQNGSA-N 2 0 342.241 -0.002 20 0 EBADRP N[C@@H](C[NH3+])C(=O)N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220354365 811066712 /nfs/dbraw/zinc/06/67/12/811066712.db2.gz QPDZMHOHSFCUTH-SOUVJXGZSA-N 2 0 334.420 -0.152 20 0 EBADRP [NH3+]Cc1ccc2c(n1)N(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)CCC2 ZINC001220377361 811079453 /nfs/dbraw/zinc/07/94/53/811079453.db2.gz UATZGCGJCANDHP-OAHLLOKOSA-N 3 0 332.452 -0.430 20 0 EBADRP Cn1c(=O)cc(NC(=O)[C@@H]([NH3+])CCC[NH3+])n(-c2ccccc2)c1=O ZINC001220413675 811098580 /nfs/dbraw/zinc/09/85/80/811098580.db2.gz NIBJPPMISRIBKY-LBPRGKRZSA-N 2 0 331.376 -0.459 20 0 EBADRP O=C(C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1)NC[C@@H]1COCC[NH2+]1 ZINC001220429460 811104354 /nfs/dbraw/zinc/10/43/54/811104354.db2.gz RYALQXDDADOCBS-IAGOWNOFSA-N 2 0 332.448 -0.045 20 0 EBADRP CCS(=O)(=O)c1ccc(CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)cc1 ZINC001220489979 811124620 /nfs/dbraw/zinc/12/46/20/811124620.db2.gz OCFUVGHOIMZHCF-CQSZACIVSA-N 2 0 337.445 -0.095 20 0 EBADRP [NH3+]C1(CNC(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CCCC1 ZINC001220495135 811126072 /nfs/dbraw/zinc/12/60/72/811126072.db2.gz ZADXKYACHFOHPT-GFCCVEGCSA-N 2 0 329.466 -0.212 20 0 EBADRP COCCOCCOCCOCCNC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220514962 811132949 /nfs/dbraw/zinc/13/29/49/811132949.db2.gz XOVCQIMLMWJLJT-HNNXBMFYSA-N 2 0 349.472 -0.355 20 0 EBADRP [NH3+]CCOCCOCCNC(=O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001220519382 811135819 /nfs/dbraw/zinc/13/58/19/811135819.db2.gz MLTDTJRZNDTZFX-AWEZNQCLSA-N 2 0 331.363 -0.057 20 0 EBADRP CCOCCC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220637816 811184237 /nfs/dbraw/zinc/18/42/37/811184237.db2.gz NJXOQTZBVKCAGE-CVEARBPZSA-N 2 0 343.468 -0.315 20 0 EBADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001220651191 811188392 /nfs/dbraw/zinc/18/83/92/811188392.db2.gz GFYNOFVAJMTTSK-CRAIPNDOSA-N 2 0 329.448 -0.336 20 0 EBADRP NC(=O)c1ccccc1OCCNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220719084 811217104 /nfs/dbraw/zinc/21/71/04/811217104.db2.gz QNLMQNWGAHPGEZ-CQSZACIVSA-N 2 0 349.435 -0.969 20 0 EBADRP O=C(NC[C@H]1CN(c2ccccc2)CCO1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220737000 811224404 /nfs/dbraw/zinc/22/44/04/811224404.db2.gz YWYZZYKDSKOQCY-JKSUJKDBSA-N 2 0 330.432 -0.183 20 0 EBADRP C[C@H](CNC(=O)CN(CC[NH3+])S(C)(=O)=O)CC(C)(C)CC[NH3+] ZINC001220766425 811233242 /nfs/dbraw/zinc/23/32/42/811233242.db2.gz RYJJNMCGAWOFFX-LBPRGKRZSA-N 2 0 336.502 -0.276 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@H](Cc1cncn1C)C(=O)OC ZINC001220770426 811235685 /nfs/dbraw/zinc/23/56/85/811235685.db2.gz WZZZOMOMVYUUBJ-QWHCGFSZSA-N 2 0 325.413 -0.663 20 0 EBADRP [NH3+][C@@]12CC[C@@](NC(=O)[C@@H]3Cn4nnnc4C34CC[NH2+]CC4)(C1)CCC2 ZINC001220775135 811238198 /nfs/dbraw/zinc/23/81/98/811238198.db2.gz KDCSTMLAXJRACV-VBNZEHGJSA-N 2 0 345.451 -0.156 20 0 EBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220805483 811247723 /nfs/dbraw/zinc/24/77/23/811247723.db2.gz SEBNNOFPHRQOAM-NAKRPEOUSA-N 2 0 336.358 -0.019 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CCO)C2)cn1 ZINC001036840523 811282288 /nfs/dbraw/zinc/28/22/88/811282288.db2.gz JJOBZCJRLKYJFE-GDBMZVCRSA-N 2 0 335.452 -0.027 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CC(N)=O)C2)cn1 ZINC001036841308 811283013 /nfs/dbraw/zinc/28/30/13/811283013.db2.gz UPWHAHCGRVFTIM-HIFRSBDPSA-N 2 0 348.451 -0.534 20 0 EBADRP [NH3+]CCN(CCNC(=O)[C@H]1CC[C@H](C(F)(F)F)C[NH2+]1)N(O)N=O ZINC001220900334 811286626 /nfs/dbraw/zinc/28/66/26/811286626.db2.gz HIQKIPKQFBDWTE-DTWKUNHWSA-N 2 0 342.322 -0.419 20 0 EBADRP COC(=O)C[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1ccccn1 ZINC001220900256 811287199 /nfs/dbraw/zinc/28/71/99/811287199.db2.gz FRLGJKWKNBOHIR-JQWIXIFHSA-N 2 0 326.422 -0.179 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CCN(Cc2cccnc2)C1 ZINC001220914962 811291500 /nfs/dbraw/zinc/29/15/00/811291500.db2.gz HTHIRCGWYTXCMI-DLBZAZTESA-N 2 0 346.479 -0.478 20 0 EBADRP [NH3+][C@H]1CC[C@H](N(C(=O)CN2CCCC[C@H]([NH3+])C2=O)C2COC2)CC1 ZINC001220931273 811297460 /nfs/dbraw/zinc/29/74/60/811297460.db2.gz ZUEVJLFQBNGAIL-YDHLFZDLSA-N 2 0 338.452 -0.177 20 0 EBADRP O=C(NCC1CCN(c2ncccn2)CC1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220929492 811298408 /nfs/dbraw/zinc/29/84/08/811298408.db2.gz AJCJJIXTSLMODL-CQSZACIVSA-N 2 0 330.436 -0.382 20 0 EBADRP [NH3+]C1(C(=O)NCc2ccccc2)CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC001220968832 811315409 /nfs/dbraw/zinc/31/54/09/811315409.db2.gz FNLGDTVHIDVVKL-GJZGRUSLSA-N 2 0 346.431 -0.655 20 0 EBADRP [NH3+]C[C@@H](O)CC(=O)N1CCC([NH3+])(C(=O)NCc2ccccc2)CC1 ZINC001220968823 811316085 /nfs/dbraw/zinc/31/60/85/811316085.db2.gz FAVIIVYSHGRXPR-AWEZNQCLSA-N 2 0 334.420 -0.668 20 0 EBADRP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221071621 811362343 /nfs/dbraw/zinc/36/23/43/811362343.db2.gz DDDDYQXKFTXVJZ-KFWWJZLASA-N 2 0 329.441 -0.969 20 0 EBADRP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221114291 811382660 /nfs/dbraw/zinc/38/26/60/811382660.db2.gz UOSLRHWPJRPHSP-CQSZACIVSA-N 3 0 329.448 -0.372 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1ccc(C(N)=O)cc1 ZINC001221188109 811410123 /nfs/dbraw/zinc/41/01/23/811410123.db2.gz OGBRGRPWUUBJFJ-STQMWFEESA-N 2 0 336.392 -0.948 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001221190116 811412442 /nfs/dbraw/zinc/41/24/42/811412442.db2.gz CGPHYRVJFUIERY-IHRRRGAJSA-N 2 0 326.441 -0.401 20 0 EBADRP COC(=O)[C@@](C)(NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C(F)(F)F ZINC001221221703 811419317 /nfs/dbraw/zinc/41/93/17/811419317.db2.gz VPALAYVPAXJOOT-BXKDBHETSA-N 2 0 340.346 -0.653 20 0 EBADRP COC(=O)[C@](C)(NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C(F)(F)F ZINC001221221706 811419355 /nfs/dbraw/zinc/41/93/55/811419355.db2.gz VPALAYVPAXJOOT-SKDRFNHKSA-N 2 0 340.346 -0.653 20 0 EBADRP [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001221332122 811443313 /nfs/dbraw/zinc/44/33/13/811443313.db2.gz HXXNCPILMJIMKG-IRXDYDNUSA-N 3 0 331.464 -0.351 20 0 EBADRP CC(C)(C)[C@@H](CN1CCOCC1)NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001221357307 811446170 /nfs/dbraw/zinc/44/61/70/811446170.db2.gz HCFLSPQLTFXBPB-QWHCGFSZSA-N 2 0 332.514 -0.131 20 0 EBADRP COC1CC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001221367402 811447955 /nfs/dbraw/zinc/44/79/55/811447955.db2.gz QKSMDBAXLQENMX-WUCCLRPBSA-N 2 0 340.468 -0.025 20 0 EBADRP COc1cccc([C@H](C[NH3+])NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001221405709 811450519 /nfs/dbraw/zinc/45/05/19/811450519.db2.gz VRNWRDIXEZCDIF-CVEARBPZSA-N 3 0 335.452 -0.438 20 0 EBADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001221410074 811452182 /nfs/dbraw/zinc/45/21/82/811452182.db2.gz PVXRWEUAIZXVDP-ZIAGYGMSSA-N 2 0 345.451 -0.572 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001221555691 811488640 /nfs/dbraw/zinc/48/86/40/811488640.db2.gz TWRMFKUOSICNFN-BRWVUGGUSA-N 2 0 337.464 -0.130 20 0 EBADRP [NH3+]CCNC(=O)c1cccc(CN2CCOC[C@]3(C[NH2+]CCO3)C2)c1 ZINC001222191516 811608752 /nfs/dbraw/zinc/60/87/52/811608752.db2.gz MNOXBXKUVSTJAW-SFHVURJKSA-N 2 0 348.447 -0.434 20 0 EBADRP CCN(C(=O)C[NH+](CC)CC)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001079816836 811742770 /nfs/dbraw/zinc/74/27/70/811742770.db2.gz VNGHDIKSTPNTGB-UHFFFAOYSA-N 2 0 342.484 -0.034 20 0 EBADRP CC(C)[C@H](C(=O)NCC1CC[NH+](CC(=O)NC(N)=O)CC1)[NH+](C)C ZINC001224402946 811758713 /nfs/dbraw/zinc/75/87/13/811758713.db2.gz SJVBYZVJXRKYDR-CQSZACIVSA-N 2 0 341.456 -0.404 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001225088188 811791631 /nfs/dbraw/zinc/79/16/31/811791631.db2.gz WZCUPECJWRVSRV-CQSZACIVSA-N 2 0 338.452 -0.038 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC001225154659 811796126 /nfs/dbraw/zinc/79/61/26/811796126.db2.gz DGFXKVKHCREEKL-UHFFFAOYSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001225577381 811818335 /nfs/dbraw/zinc/81/83/35/811818335.db2.gz FHHMBKYCJDPCSN-UHFFFAOYSA-N 2 0 327.429 -0.650 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC001225582728 811819126 /nfs/dbraw/zinc/81/91/26/811819126.db2.gz RQYLNVKJEWXIBA-UHFFFAOYSA-N 2 0 348.513 -0.296 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)CC1 ZINC001228333851 811975221 /nfs/dbraw/zinc/97/52/21/811975221.db2.gz GACSSZXQWZBRGE-CHWSQXEVSA-N 2 0 339.440 -0.460 20 0 EBADRP CC(C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O)[NH+](C)C ZINC001228445985 811978748 /nfs/dbraw/zinc/97/87/48/811978748.db2.gz ZRSVGXLAHQODPH-YRGRVCCFSA-N 2 0 341.456 -0.216 20 0 EBADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080786547 812232722 /nfs/dbraw/zinc/23/27/22/812232722.db2.gz PVPIESNVXIDFJR-ZIAGYGMSSA-N 2 0 348.447 -0.332 20 0 EBADRP CN(C[C@@H]1CC[N@@H+]1CCOCCO)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001234346519 812412641 /nfs/dbraw/zinc/41/26/41/812412641.db2.gz WQEQRNPXISOLJE-JKSUJKDBSA-N 2 0 325.453 -0.130 20 0 EBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](CCCC[NH3+])CC2 ZINC001235570552 812498499 /nfs/dbraw/zinc/49/84/99/812498499.db2.gz YTWRJGOYEVVVNA-UHFFFAOYSA-N 3 0 325.501 -0.105 20 0 EBADRP CCOC(=O)c1cccc(CN2CC[NH2+]CCNCC[NH2+]CC2)n1 ZINC001235872945 812514786 /nfs/dbraw/zinc/51/47/86/812514786.db2.gz CPZSXIPZMZWLFP-UHFFFAOYSA-N 2 0 335.452 -0.157 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3cnc4n3CCNC4)C[C@H]1C2 ZINC001236036263 812515907 /nfs/dbraw/zinc/51/59/07/812515907.db2.gz VSOXARKMRIBYJT-PXMRGAAZSA-N 2 0 345.447 -0.183 20 0 EBADRP COC(=O)c1cnc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])s1 ZINC001236317879 812516562 /nfs/dbraw/zinc/51/65/62/812516562.db2.gz YDONZVOHPDXYKN-UHFFFAOYSA-N 2 0 343.453 -0.455 20 0 EBADRP Nc1ccc(Cl)nc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236311478 812516756 /nfs/dbraw/zinc/51/67/56/812516756.db2.gz SAUMUATWWBLQLR-UHFFFAOYSA-N 2 0 328.848 -0.067 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccc(-n2nccn2)cc1 ZINC001236315929 812517099 /nfs/dbraw/zinc/51/70/99/812517099.db2.gz SITCBXNIPUDOEC-UHFFFAOYSA-N 2 0 345.451 -0.117 20 0 EBADRP CCOC1(OCC)CC[NH2+]C[C@H]1NS(=O)(=O)C1CC[NH2+]CC1 ZINC001238183220 812525610 /nfs/dbraw/zinc/52/56/10/812525610.db2.gz UTAYOLUSMQEOSQ-CYBMUJFWSA-N 2 0 335.470 -0.211 20 0 EBADRP COC(=O)c1cncc(S(=O)(=O)NCCC[NH2+]CCCC[NH3+])c1 ZINC001238880232 812535026 /nfs/dbraw/zinc/53/50/26/812535026.db2.gz ZCGBVAUJHGRPHN-UHFFFAOYSA-N 2 0 344.437 -0.135 20 0 EBADRP CC1(N2CCN(S(=O)(=O)C3CC[NH2+]CC3)CC2)CC[NH2+]CC1 ZINC001239092029 812543608 /nfs/dbraw/zinc/54/36/08/812543608.db2.gz UERLZRHQHJULRP-UHFFFAOYSA-N 2 0 330.498 -0.172 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)CC1CCCC1 ZINC001239131824 812547647 /nfs/dbraw/zinc/54/76/47/812547647.db2.gz VLSHSJPDTJKTCO-UHFFFAOYSA-N 2 0 334.486 -0.378 20 0 EBADRP C[NH+]1CCC(N(C2CC[NH2+]CC2)S(=O)(=O)[C@H]2CC[NH2+]C2)CC1 ZINC001239173500 812550052 /nfs/dbraw/zinc/55/00/52/812550052.db2.gz RHKAWHQMDJDIAR-HNNXBMFYSA-N 3 0 330.498 -0.174 20 0 EBADRP CCOC(=O)CC[C@H](NC(=O)N(CC[NH3+])CC[NH3+])C(=O)OCC ZINC001239288538 812551281 /nfs/dbraw/zinc/55/12/81/812551281.db2.gz SEUQFPCVPUCYPR-NSHDSACASA-N 2 0 332.401 -0.810 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C(=S)NC[C@@H]1CCCO1 ZINC001239450470 812553463 /nfs/dbraw/zinc/55/34/63/812553463.db2.gz FTKOBGPAANCRGM-LBPRGKRZSA-N 2 0 331.486 -0.844 20 0 EBADRP [NH3+]CCNC(=S)N(CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001239454747 812553987 /nfs/dbraw/zinc/55/39/87/812553987.db2.gz RRKZFSLREFZITG-UHFFFAOYSA-N 2 0 329.514 -0.547 20 0 EBADRP CCOC1(OCC)CC[NH2+]C[C@@H]1NC[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001245982091 812557004 /nfs/dbraw/zinc/55/70/04/812557004.db2.gz JYJRSABOYAOKNJ-CABCVRRESA-N 2 0 345.484 -0.427 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001245982717 812557138 /nfs/dbraw/zinc/55/71/38/812557138.db2.gz DMPRUYBRHJRGMZ-RRFJBIMHSA-N 2 0 339.461 -0.964 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001245983757 812557278 /nfs/dbraw/zinc/55/72/78/812557278.db2.gz MOWFHZMPHKFMJT-DSJMHWKBSA-N 2 0 340.374 -0.637 20 0 EBADRP CCOC(=O)C1=C(NC[C@H](O)CC2(O)CC[NH2+]CC2)CC[NH2+]C1 ZINC001245996481 812558667 /nfs/dbraw/zinc/55/86/67/812558667.db2.gz RMMXANJWJLMXSO-GFCCVEGCSA-N 2 0 327.425 -0.748 20 0 EBADRP [NH3+]CCNCC[NH2+]C[C@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1 ZINC001246007291 812558694 /nfs/dbraw/zinc/55/86/94/812558694.db2.gz JNISQCPWEKMHHU-LSDHHAIUSA-N 2 0 340.378 -0.356 20 0 EBADRP OCCc1ccc(OC[C@H](O)C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)cc1 ZINC001246023720 812560060 /nfs/dbraw/zinc/56/00/60/812560060.db2.gz ATZDKVGIFLOTSN-QGZVFWFLSA-N 2 0 349.475 -0.012 20 0 EBADRP O[C@@H](C[N@@H+]1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3)CC1(O)CC[NH2+]CC1 ZINC001246038041 812560681 /nfs/dbraw/zinc/56/06/81/812560681.db2.gz UINREDYBLUGPLG-KLZNWCGWSA-N 3 0 325.453 -0.695 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CC(N2CC[NH2+]CC2)C1 ZINC001246072859 812563172 /nfs/dbraw/zinc/56/31/72/812563172.db2.gz XLMBVVZTZKSWDJ-DLBZAZTESA-N 2 0 340.418 -0.215 20 0 EBADRP [NH3+]C1CCN([C@@H]2CC[N@H+](C[C@H](O)CC3(O)CC[NH2+]CC3)C2)CC1 ZINC001246072310 812563290 /nfs/dbraw/zinc/56/32/90/812563290.db2.gz YUZWRXCBFVUOHB-HZPDHXFCSA-N 3 0 326.485 -0.651 20 0 EBADRP C[C@@H](CN1CC[NH2+]CC1)N[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246075430 812563309 /nfs/dbraw/zinc/56/33/09/812563309.db2.gz FTNGIBXVENRWCY-IHRRRGAJSA-N 2 0 327.498 -0.867 20 0 EBADRP O=C([C@@H]1C[C@H](NC[C@@]2(O)CCCC[NH2+]C2)C[NH2+]1)N1CCSC1 ZINC001246098212 812564953 /nfs/dbraw/zinc/56/49/53/812564953.db2.gz QAGZNPDEJVTNKK-KCQAQPDRSA-N 2 0 328.482 -0.656 20 0 EBADRP O=S1(=O)CC[C@H]([NH2+]C2CCC3(CC2)C[NH2+]CCO3)C12CNC2 ZINC001246140146 812566498 /nfs/dbraw/zinc/56/64/98/812566498.db2.gz FKXPOMIYVVDJJA-MOKVOYLWSA-N 2 0 329.466 -0.594 20 0 EBADRP CC1(C)O[C@@H]2[C@@H](OCCO)C[C@@H]([NH2+][C@@H]3CCNC4(C[NH2+]C4)C3)[C@@H]2O1 ZINC001246207882 812567901 /nfs/dbraw/zinc/56/79/01/812567901.db2.gz GBUVKOXXWIKYOE-NIFZNCRKSA-N 2 0 341.452 -0.660 20 0 EBADRP C[C@H]1CC[C@H](NCCOCCOCCOCCOCC[NH3+])C[NH2+]1 ZINC001246212105 812568010 /nfs/dbraw/zinc/56/80/10/812568010.db2.gz CLYKWBDBDIHWEY-HOTGVXAUSA-N 2 0 333.473 -0.258 20 0 EBADRP [NH3+]CCCOCCOCCOCCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246202380 812568404 /nfs/dbraw/zinc/56/84/04/812568404.db2.gz OJQLJGQPEONRGW-INIZCTEOSA-N 3 0 344.500 -0.541 20 0 EBADRP CCOC(=O)[C@H]1C[NH2+]CCN1C1C[C@H]2CC(C(=O)OC)C[C@@H](C1)[NH2+]2 ZINC001246603937 812576099 /nfs/dbraw/zinc/57/60/99/812576099.db2.gz MKJCCWXBBMGZFP-OYNNJRIESA-N 2 0 339.436 -0.105 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]CCN1[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246599525 812576849 /nfs/dbraw/zinc/57/68/49/812576849.db2.gz CVXOBBDQNUXFGG-AVGNSLFASA-N 2 0 342.465 -0.913 20 0 EBADRP O=C([C@@H]1C[C@H](N2CCOC3(CC[NH2+]CC3)C2)C[NH2+]1)N1CCSC1 ZINC001246598749 812576861 /nfs/dbraw/zinc/57/68/61/812576861.db2.gz BXWZFOVFPAQLSC-KBPBESRZSA-N 2 0 340.493 -0.296 20 0 EBADRP CCOC(=O)[C@H]1C[NH2+]CCN1[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246599531 812577012 /nfs/dbraw/zinc/57/70/12/812577012.db2.gz CVXOBBDQNUXFGG-FRRDWIJNSA-N 2 0 342.465 -0.913 20 0 EBADRP O=C([C@@H]1C[C@@H](N2CCO[C@]3(CCC[NH2+]C3)C2)C[NH2+]1)N1CCSC1 ZINC001246619040 812577041 /nfs/dbraw/zinc/57/70/41/812577041.db2.gz KORQFYUCQWWYKS-YCPHGPKFSA-N 2 0 340.493 -0.296 20 0 EBADRP O=C([C@@H]1C[C@@H](N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)C[NH2+]1)N1CCSC1 ZINC001246625386 812577604 /nfs/dbraw/zinc/57/76/04/812577604.db2.gz RFHJRARCVUYMSB-YIYPIFLZSA-N 2 0 326.466 -0.830 20 0 EBADRP O=C(c1nn([C@@H]2CCNC3(C[NH2+]C3)C2)c2c1C[NH2+]C2)N1CCOCC1 ZINC001246722821 812583042 /nfs/dbraw/zinc/58/30/42/812583042.db2.gz SHGFKOFAIGLPDD-GFCCVEGCSA-N 2 0 346.435 -0.775 20 0 EBADRP CN(C)C(=O)[C@@H]1CCO[C@@H]2CC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246724730 812583394 /nfs/dbraw/zinc/58/33/94/812583394.db2.gz YJGJGQQESBVDGF-LVQVYYBASA-N 2 0 336.480 -0.104 20 0 EBADRP COC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CN1 ZINC001246859658 812590275 /nfs/dbraw/zinc/59/02/75/812590275.db2.gz QJBQKSKBXXBKBS-WFTXNEMLSA-N 2 0 337.420 -0.780 20 0 EBADRP CCOC(=O)[C@]12C[N@@H+]([C@@H]3CC[C@@H](C(=O)OC)NC3)C[C@H]1C[NH2+]CC2 ZINC001246854036 812590461 /nfs/dbraw/zinc/59/04/61/812590461.db2.gz BTULXRRFPGCIGP-VWPFQQQWSA-N 2 0 339.436 -0.245 20 0 EBADRP [NH3+]C1CN([C@@H]2CCCN([C@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)C2)C1 ZINC001246867467 812591229 /nfs/dbraw/zinc/59/12/29/812591229.db2.gz HZWAINBGFUGJKY-KFWWJZLASA-N 2 0 339.509 -0.643 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]1C2 ZINC001246868031 812591324 /nfs/dbraw/zinc/59/13/24/812591324.db2.gz JLVDFRUNABEQKF-NSIVTLKISA-N 3 0 334.464 -0.589 20 0 EBADRP COC(=O)C1C[C@@H]2CC(N3CC[C@@](N)(C(=O)OC)C3)C[C@H](C1)[NH2+]2 ZINC001246928470 812592769 /nfs/dbraw/zinc/59/27/69/812592769.db2.gz ZZCDIKKXWXCSKZ-CTWKNQSGSA-N 2 0 325.409 -0.365 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@H]1CCN(C2CC2)C(=O)C1 ZINC001246922932 812593377 /nfs/dbraw/zinc/59/33/77/812593377.db2.gz AEWIPBJJZUEDMV-AWEZNQCLSA-N 3 0 325.457 -0.744 20 0 EBADRP COCCCN([C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)[C@H]1CC[NH2+]C1 ZINC001246979098 812594303 /nfs/dbraw/zinc/59/43/03/812594303.db2.gz MDCUSGFHZVDPGQ-ZNMIVQPWSA-N 2 0 342.509 -0.050 20 0 EBADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@H]1CC[NH2+]C2(CCC2)C1)O3 ZINC001247009104 812596179 /nfs/dbraw/zinc/59/61/79/812596179.db2.gz KBLDGTWDZQICGX-XFMPKHEZSA-N 2 0 327.450 -0.194 20 0 EBADRP CC[NH+](CC)CCN1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC001251002754 812612897 /nfs/dbraw/zinc/61/28/97/812612897.db2.gz VDBLVDMQVXHQNI-QGZVFWFLSA-N 2 0 328.501 -0.361 20 0 EBADRP C[NH+]1CCC(N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)CC1 ZINC001256205593 812726488 /nfs/dbraw/zinc/72/64/88/812726488.db2.gz WYSWZXCUNSIGJH-UHFFFAOYSA-N 2 0 341.481 -0.115 20 0 EBADRP C[C@H](CC(=O)N1CCOCC1)[NH2+]CCCOCCOCCC[NH3+] ZINC001256321794 812728719 /nfs/dbraw/zinc/72/87/19/812728719.db2.gz PTKLXQGWLDSPJR-OAHLLOKOSA-N 2 0 331.457 -0.015 20 0 EBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001256490994 812734232 /nfs/dbraw/zinc/73/42/32/812734232.db2.gz ZVNABMJIFTUBPI-SRVKXCTJSA-N 2 0 331.413 -0.163 20 0 EBADRP Cc1cn(CC(=O)NCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(=O)[nH]c1=O ZINC001256615949 812736063 /nfs/dbraw/zinc/73/60/63/812736063.db2.gz DPUJCUJDJWDYME-AGUYFDCRSA-N 2 0 349.435 -0.412 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[NH+]2CCC[C@H]2C1 ZINC001257605112 812768504 /nfs/dbraw/zinc/76/85/04/812768504.db2.gz VYHRRENXYHNSML-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP C[NH+]1CCN(C2CC[NH+](C3CCN(S(N)(=O)=O)CC3)CC2)CC1 ZINC001260078962 812823636 /nfs/dbraw/zinc/82/36/36/812823636.db2.gz BBVQZYHTPODJFF-UHFFFAOYSA-N 2 0 345.513 -0.634 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC001261502672 812921059 /nfs/dbraw/zinc/92/10/59/812921059.db2.gz VAKYANMFKKLGCI-UHFFFAOYSA-N 2 0 337.472 -0.226 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C(F)(F)F)n1 ZINC001261554688 812936630 /nfs/dbraw/zinc/93/66/30/812936630.db2.gz KKVMOLZRIJKWET-MRVPVSSYSA-N 2 0 336.318 -0.611 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](F)C2)C[C@H]1C[NH+](C)C ZINC001261868221 813001897 /nfs/dbraw/zinc/00/18/97/813001897.db2.gz CXRFUBVAGYCKLE-MGPQQGTHSA-N 2 0 328.432 -0.245 20 0 EBADRP COCC[NH2+]CC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001261891696 813005343 /nfs/dbraw/zinc/00/53/43/813005343.db2.gz NQRSDMGWKVQFIU-OLZOCXBDSA-N 2 0 326.397 -0.994 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001262034212 813029209 /nfs/dbraw/zinc/02/92/09/813029209.db2.gz WCDONWCLKHTKPM-YUTCNCBUSA-N 2 0 326.441 -0.666 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC001262064408 813030234 /nfs/dbraw/zinc/03/02/34/813030234.db2.gz ZQBPGUKMUDMDBL-KBPBESRZSA-N 2 0 325.457 -0.922 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001262070604 813032665 /nfs/dbraw/zinc/03/26/65/813032665.db2.gz FMPSCGRTBIDSMI-DZGCQCFKSA-N 2 0 337.468 -0.909 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001262073424 813033272 /nfs/dbraw/zinc/03/32/72/813033272.db2.gz RGMLCYTYFIPKJT-ZNMIVQPWSA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]CCC23CCOCC3)CC1 ZINC001262541941 813090648 /nfs/dbraw/zinc/09/06/48/813090648.db2.gz MKQRDYIOPWJPLP-UHFFFAOYSA-N 2 0 338.452 -0.432 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001263894251 813133755 /nfs/dbraw/zinc/13/37/55/813133755.db2.gz YUNCVUBYHDPRIJ-BFHYXJOUSA-N 2 0 346.497 -0.496 20 0 EBADRP CCNC(=O)NC(=O)C[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001265001297 813215587 /nfs/dbraw/zinc/21/55/87/813215587.db2.gz SLEDWAFAXVXMON-CYBMUJFWSA-N 2 0 341.456 -0.246 20 0 EBADRP O=C(NCCCN1CC[NH+](CCO)CC1)C12CCC[NH+](CCC1)C2 ZINC001265244998 813272800 /nfs/dbraw/zinc/27/28/00/813272800.db2.gz XTOCVDJXPRABHN-UHFFFAOYSA-N 2 0 338.496 -0.021 20 0 EBADRP COC[C@@H](O)C[NH+]1CCN(CCCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001265254275 813277217 /nfs/dbraw/zinc/27/72/17/813277217.db2.gz FTIXNJTYQFTVQB-HOTGVXAUSA-N 2 0 342.484 -0.931 20 0 EBADRP CCS(=O)(=O)NCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001265316722 813304317 /nfs/dbraw/zinc/30/43/17/813304317.db2.gz BEZULVCTCVSYJY-KGLIPLIRSA-N 2 0 346.497 -0.542 20 0 EBADRP CC(C)NC(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001265570036 813341533 /nfs/dbraw/zinc/34/15/33/813341533.db2.gz NLBIDYXFMMNBLW-MELADBBJSA-N 2 0 325.457 -0.118 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001265590686 813345380 /nfs/dbraw/zinc/34/53/80/813345380.db2.gz FONLXOWIFBCPGK-ZDUSSCGKSA-N 2 0 339.440 -0.682 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CCS(C)(=O)=O)C1 ZINC001265690925 813359564 /nfs/dbraw/zinc/35/95/64/813359564.db2.gz AHBRXFKGIQPXGP-KBPBESRZSA-N 2 0 331.482 -0.047 20 0 EBADRP C[N@H+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CC(=O)NC(N)=O ZINC001265871679 813394557 /nfs/dbraw/zinc/39/45/57/813394557.db2.gz DMBTZKYOJQYSBT-QWHCGFSZSA-N 2 0 339.440 -0.364 20 0 EBADRP CS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001265905863 813410344 /nfs/dbraw/zinc/41/03/44/813410344.db2.gz XZYBGNKYUYQVJM-KBPBESRZSA-N 2 0 344.481 -0.932 20 0 EBADRP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CCC(=O)NC1=O ZINC001266042957 813446052 /nfs/dbraw/zinc/44/60/52/813446052.db2.gz QYAUMRZZORDAEC-MCIONIFRSA-N 2 0 338.452 -0.040 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC001081773601 813537277 /nfs/dbraw/zinc/53/72/77/813537277.db2.gz CZVOKKYBDVOCLU-HUUCEWRRSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]CCNS(C)(=O)=O)C2CC2)CC[N@@H+]1C ZINC001266409957 813561371 /nfs/dbraw/zinc/56/13/71/813561371.db2.gz VCNQWZFFMYXYHO-MRVWCRGKSA-N 2 0 346.497 -0.640 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001266756862 813662842 /nfs/dbraw/zinc/66/28/42/813662842.db2.gz DDJICSZYSCZKKQ-KBPBESRZSA-N 2 0 338.452 -0.040 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001266756863 813663650 /nfs/dbraw/zinc/66/36/50/813663650.db2.gz DDJICSZYSCZKKQ-KGLIPLIRSA-N 2 0 338.452 -0.040 20 0 EBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCN1C(=O)CNC1=O ZINC001266926551 813702500 /nfs/dbraw/zinc/70/25/00/813702500.db2.gz BBMUNCLHYMWCOG-VXGBXAGGSA-N 2 0 325.413 -0.883 20 0 EBADRP C[C@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@H]1CCC(=O)NC1=O ZINC001267134830 813767626 /nfs/dbraw/zinc/76/76/26/813767626.db2.gz YAJIMEWLQNAEIX-OLZOCXBDSA-N 2 0 336.436 -0.096 20 0 EBADRP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)CC[NH+](C)C ZINC001267175414 813777898 /nfs/dbraw/zinc/77/78/98/813777898.db2.gz VDEXPRSSSNIDTE-CYBMUJFWSA-N 2 0 341.456 -0.246 20 0 EBADRP CC[C@H](C(=O)NCC[N@H+](C)CCN1C(=O)NC(C)(C)C1=O)[NH+](C)C ZINC001267203590 813786988 /nfs/dbraw/zinc/78/69/88/813786988.db2.gz WQKDXJLGYLSESX-GFCCVEGCSA-N 2 0 341.456 -0.295 20 0 EBADRP CN(CC[NH2+]CC1CCS(=O)(=O)CC1)C(=O)C[NH+]1CCCC1 ZINC001267468851 813906402 /nfs/dbraw/zinc/90/64/02/813906402.db2.gz DHWNOMLFXIPXHH-UHFFFAOYSA-N 2 0 331.482 -0.045 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)C[NH+]2CCCC2)C[C@H](C)O1 ZINC001267469683 813907607 /nfs/dbraw/zinc/90/76/07/813907607.db2.gz OLLBOAKVFIPZTC-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CC[NH2+]CC(=O)N1CCCC1 ZINC001267470343 813908156 /nfs/dbraw/zinc/90/81/56/813908156.db2.gz ZWSPDNWBRJIGJC-OAHLLOKOSA-N 2 0 340.468 -0.375 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCC(=O)NC1=O)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001267491751 813914677 /nfs/dbraw/zinc/91/46/77/813914677.db2.gz OFRMZXQYFGTWIL-TZMCWYRMSA-N 2 0 338.452 -0.040 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082449752 813949409 /nfs/dbraw/zinc/94/94/09/813949409.db2.gz HRJXIIHRLUUPAG-MCIONIFRSA-N 2 0 336.436 -0.334 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[N@H+](CCOCCO)C1 ZINC001267622365 813957764 /nfs/dbraw/zinc/95/77/64/813957764.db2.gz XARUMAMVUYWDNG-JKSUJKDBSA-N 2 0 343.468 -0.456 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CCN1C(=O)CCC1=O ZINC001268099054 814124970 /nfs/dbraw/zinc/12/49/70/814124970.db2.gz XYWANOCJGJJMLU-CYBMUJFWSA-N 2 0 326.441 -0.088 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001268164082 814137641 /nfs/dbraw/zinc/13/76/41/814137641.db2.gz SUWPWLYLWUTHIB-CYBMUJFWSA-N 2 0 341.456 -0.246 20 0 EBADRP Cc1c(C(=O)NC[C@H](O)C[NH2+]Cc2cnnn2C)ccc2c[nH+]cn21 ZINC001268316781 814193040 /nfs/dbraw/zinc/19/30/40/814193040.db2.gz VPJVBYALPXYFCK-CQSZACIVSA-N 2 0 343.391 -0.348 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CCn2cc(Cl)cn2)C1 ZINC001268336619 814216785 /nfs/dbraw/zinc/21/67/85/814216785.db2.gz VAUZKYBPQJENOX-WCQYABFASA-N 2 0 329.832 -0.445 20 0 EBADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001268364474 814222949 /nfs/dbraw/zinc/22/29/49/814222949.db2.gz DTZATSMPJWBADI-QWHCGFSZSA-N 2 0 338.456 -0.034 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)CC[NH2+]Cc1cn(C)nn1 ZINC001268423717 814238836 /nfs/dbraw/zinc/23/88/36/814238836.db2.gz OXFQPEHVXNTTJU-KGLIPLIRSA-N 2 0 338.456 -0.232 20 0 EBADRP Cn1cc(CC[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)C4)[C@H]3C2)cn1 ZINC001083275339 814255090 /nfs/dbraw/zinc/25/50/90/814255090.db2.gz YMCWSOFUEUXQJG-IXDOHACOSA-N 2 0 347.463 -0.174 20 0 EBADRP CCN(CC[NH2+]CC(=O)NC(N)=O)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001268486066 814262080 /nfs/dbraw/zinc/26/20/80/814262080.db2.gz LREHKFMTNNUHPM-CHWSQXEVSA-N 2 0 339.440 -0.364 20 0 EBADRP CCN(CC[NH2+]CC(=O)NC(=O)NC)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268493805 814264658 /nfs/dbraw/zinc/26/46/58/814264658.db2.gz VMHSSHBFMYZVCA-CYBMUJFWSA-N 2 0 329.445 -0.534 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC=CC[NH2+]Cc1cc(=O)n2nccc2[nH]1 ZINC001268522933 814273896 /nfs/dbraw/zinc/27/38/96/814273896.db2.gz ODGUOFIHVVWVAG-PYLYLYNFSA-N 2 0 344.419 -0.121 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001268576066 814301962 /nfs/dbraw/zinc/30/19/62/814301962.db2.gz UEPSFDNQGVRKLU-AZBIDPCXSA-N 2 0 329.466 -0.223 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001268625901 814325096 /nfs/dbraw/zinc/32/50/96/814325096.db2.gz VPGLXYXMOINAJL-ZRMMWKCHSA-N 2 0 337.424 -0.858 20 0 EBADRP C[C@@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)C[NH+]1CCC(C)CC1 ZINC001268708896 814360601 /nfs/dbraw/zinc/36/06/01/814360601.db2.gz HWVMDWNSJHAGAU-ZDUSSCGKSA-N 2 0 334.486 -0.638 20 0 EBADRP C[C@@H](C[N@H+](C)CCN1C(=O)CNC1=O)NC(=O)[C@H]1CCCC[NH+]1C ZINC001268736991 814371760 /nfs/dbraw/zinc/37/17/60/814371760.db2.gz XLUAIIYWHYUZQV-QWHCGFSZSA-N 2 0 339.440 -0.541 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268920833 814442769 /nfs/dbraw/zinc/44/27/69/814442769.db2.gz XRULPPWJBKIWAI-CHWSQXEVSA-N 2 0 343.472 -0.145 20 0 EBADRP CC(C)[C@@H](C(=O)N(C)CCC[NH2+][C@@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001268920914 814443102 /nfs/dbraw/zinc/44/31/02/814443102.db2.gz YWAVDSIVECCJAY-OCCSQVGLSA-N 2 0 326.441 -0.184 20 0 EBADRP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083470266 814465248 /nfs/dbraw/zinc/46/52/48/814465248.db2.gz ICMAODJJXQWIAK-CFVMTHIKSA-N 2 0 339.440 -0.746 20 0 EBADRP CN(CC(=O)N1C[C@@H]2CC[N@@H+](CCn3ccnc3)CC[C@@H]2C1)C(N)=[NH2+] ZINC001268995827 814466474 /nfs/dbraw/zinc/46/64/74/814466474.db2.gz CDHCYZHXPGREBZ-GASCZTMLSA-N 2 0 347.467 -0.121 20 0 EBADRP C[C@H](C(=O)N1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2)n1ccnc1 ZINC001269157289 814556676 /nfs/dbraw/zinc/55/66/76/814556676.db2.gz AYRILHGIGNCCOA-CYBMUJFWSA-N 2 0 335.408 -0.555 20 0 EBADRP CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001269432932 814690501 /nfs/dbraw/zinc/69/05/01/814690501.db2.gz OYHDSDBARBICCR-QWHCGFSZSA-N 2 0 336.436 -0.096 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC(CC[NH2+]CC(=O)NC(N)=O)CC1 ZINC001269950983 815650795 /nfs/dbraw/zinc/65/07/95/815650795.db2.gz HOAHOTPWVAPBDY-UHFFFAOYSA-N 2 0 341.456 -0.260 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCN1C(=O)CNC1=O)[NH+](C)C ZINC001270165308 815705980 /nfs/dbraw/zinc/70/59/80/815705980.db2.gz KUORALCDBWUXIG-QWHCGFSZSA-N 2 0 339.440 -0.541 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2O)C1 ZINC001083954973 815738229 /nfs/dbraw/zinc/73/82/29/815738229.db2.gz QTJUSPKAARIHAO-XHSDSOJGSA-N 2 0 325.453 -0.084 20 0 EBADRP O=C(Cn1ccnc1)N1CCC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001270316333 815749559 /nfs/dbraw/zinc/74/95/59/815749559.db2.gz ZVNAICIMLHFTTC-GFCCVEGCSA-N 2 0 334.380 -0.985 20 0 EBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CCN1CCCS1(=O)=O ZINC001270596217 815821352 /nfs/dbraw/zinc/82/13/52/815821352.db2.gz SAVTXNJHBQOTTL-AWEZNQCLSA-N 2 0 346.497 -0.540 20 0 EBADRP O=C(NCC1([NH2+]CCCO)CCOCC1)[C@H]1C[NH+]2CCC1CC2 ZINC001271039041 815964824 /nfs/dbraw/zinc/96/48/24/815964824.db2.gz YPSCPUGXACUSRL-HNNXBMFYSA-N 2 0 325.453 -0.034 20 0 EBADRP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C23CC[NH+](CC2)C3)nc1=O ZINC001085394849 816046511 /nfs/dbraw/zinc/04/65/11/816046511.db2.gz HPHDSMHYSGTPGR-CHWSQXEVSA-N 2 0 348.451 -0.279 20 0 EBADRP C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)[C@@H]4CCC[NH+](C)C4)CC3)[C@H]2C1 ZINC001271519416 816132120 /nfs/dbraw/zinc/13/21/20/816132120.db2.gz JORYDRJQNGIDEU-ILXRZTDVSA-N 2 0 334.464 -0.003 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001086122277 816238163 /nfs/dbraw/zinc/23/81/63/816238163.db2.gz DONHTCRDARQDPI-CRWXNKLISA-N 2 0 336.436 -0.240 20 0 EBADRP O=C(NC[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)C12CCC[NH+]1CCC2 ZINC001086136903 816243858 /nfs/dbraw/zinc/24/38/58/816243858.db2.gz DGZQYVLODPFFNX-HZSPNIEDSA-N 2 0 348.447 -0.096 20 0 EBADRP CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1)C(N)=O ZINC001086177454 816260551 /nfs/dbraw/zinc/26/05/51/816260551.db2.gz USVVOAZRNBNYSQ-LJISPDSOSA-N 2 0 340.468 -0.156 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001086270753 816285176 /nfs/dbraw/zinc/28/51/76/816285176.db2.gz SJKFIHXQOJRPML-MCIONIFRSA-N 2 0 336.436 -0.429 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001086324672 816297386 /nfs/dbraw/zinc/29/73/86/816297386.db2.gz INMJXMFKTKPJAV-IHRRRGAJSA-N 2 0 336.436 -0.286 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001086456770 816344304 /nfs/dbraw/zinc/34/43/04/816344304.db2.gz VPZTVVFXOMCITQ-ZQDZILKHSA-N 2 0 338.452 -0.532 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086477888 816350327 /nfs/dbraw/zinc/35/03/27/816350327.db2.gz BOKSFBIYRWGFIJ-TUVASFSCSA-N 2 0 337.468 -0.306 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1)c1nnnn1C ZINC001086534579 816365193 /nfs/dbraw/zinc/36/51/93/816365193.db2.gz OGTKYHCUZUYOPE-JHJVBQTASA-N 2 0 333.440 -0.149 20 0 EBADRP Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)nc1=O ZINC001086659463 816390414 /nfs/dbraw/zinc/39/04/14/816390414.db2.gz XUTFFYQOGRPMIT-YNEHKIRRSA-N 2 0 336.440 -0.423 20 0 EBADRP Cc1nc(C)n(CC[NH2+]CCN(CCO)C(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001272306903 816392297 /nfs/dbraw/zinc/39/22/97/816392297.db2.gz GEOQNTLTDMJUKL-OAHLLOKOSA-N 2 0 338.456 -0.743 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC(N)=O)C2)CC[N@@H+]1C ZINC001086979683 816432108 /nfs/dbraw/zinc/43/21/08/816432108.db2.gz MNKSRWTVEJXXJO-REBRKWNGSA-N 2 0 348.451 -0.870 20 0 EBADRP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](C[C@@H]1CCC(=O)N1)C2 ZINC001272525705 816459503 /nfs/dbraw/zinc/45/95/03/816459503.db2.gz XJBSWIFNMUMHFL-WMLDXEAASA-N 2 0 338.452 -0.623 20 0 EBADRP C[C@@H](CC[NH2+]CC(=O)N(C)C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001272866495 816541016 /nfs/dbraw/zinc/54/10/16/816541016.db2.gz YGJBAYXRKLVFAX-AWEZNQCLSA-N 2 0 342.484 -0.083 20 0 EBADRP CCOC(=O)[C@H](C)N1C(=O)COCC12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001273031292 816570292 /nfs/dbraw/zinc/57/02/92/816570292.db2.gz UMEVTXMTLSIJKC-ZDUSSCGKSA-N 2 0 339.436 -0.149 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCN3CCNC3=O)CC[C@@H]2C1 ZINC001087908760 816575755 /nfs/dbraw/zinc/57/57/55/816575755.db2.gz MTUPSMRNELRDOU-OWCLPIDISA-N 2 0 349.479 -0.114 20 0 EBADRP C[NH+](C)CCN1CC[C@]2(CC[N@H+](CC3C(=O)N=CNC3=O)C2)C1=O ZINC001273163731 816598430 /nfs/dbraw/zinc/59/84/30/816598430.db2.gz BNBPJQACOVIADB-INIZCTEOSA-N 2 0 335.408 -0.126 20 0 EBADRP NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047018 816609946 /nfs/dbraw/zinc/60/99/46/816609946.db2.gz AEXZWTZHFILBRF-IVXJQHRYSA-N 2 0 348.447 -0.885 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[N@@H+](CCO)CC[C@@H]3C2)CC1 ZINC001088154558 816637341 /nfs/dbraw/zinc/63/73/41/816637341.db2.gz UKYAKPPAJXWVGH-CABCVRRESA-N 2 0 325.453 -0.130 20 0 EBADRP O=C(N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)CC[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001088172187 816643479 /nfs/dbraw/zinc/64/34/79/816643479.db2.gz ZHLIYVCEUYWZOZ-QLFBSQMISA-N 2 0 332.448 -0.249 20 0 EBADRP CC[C@@H](C(N)=O)[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273705274 816733556 /nfs/dbraw/zinc/73/35/56/816733556.db2.gz XPOLLKXSQYAAQB-XJKSGUPXSA-N 2 0 326.441 -0.637 20 0 EBADRP CN(C)C(=O)CC[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273838058 816780865 /nfs/dbraw/zinc/78/08/65/816780865.db2.gz JUHYNOPZVYLGRW-KRWDZBQOSA-N 2 0 340.468 -0.423 20 0 EBADRP Cn1c(C[N@@H+]2CC[C@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cccc1=O ZINC001273944168 816817533 /nfs/dbraw/zinc/81/75/33/816817533.db2.gz HGCWWCPEDJJLGP-SFHVURJKSA-N 2 0 348.447 -0.250 20 0 EBADRP C[C@@H]([NH2+]C/C=C\CNC(=O)C1([NH+](C)C)CCC1)C(=O)NC(N)=O ZINC001274090119 816865360 /nfs/dbraw/zinc/86/53/60/816865360.db2.gz VNUJFSJEYUFRBV-DOGVGXBMSA-N 2 0 325.413 -0.684 20 0 EBADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001274281267 816919462 /nfs/dbraw/zinc/91/94/62/816919462.db2.gz SJOSDILOQHYQSO-STQMWFEESA-N 2 0 344.481 -0.932 20 0 EBADRP NC(=O)C[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001089892441 816935033 /nfs/dbraw/zinc/93/50/33/816935033.db2.gz JPMHOAXPJKAKGA-XQLPTFJDSA-N 2 0 332.448 -0.264 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1 ZINC001274572854 817017570 /nfs/dbraw/zinc/01/75/70/817017570.db2.gz OXBAOBYVRJVBGS-AWEZNQCLSA-N 2 0 340.468 -0.450 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CCN(C)S(C)(=O)=O)CC[N@@H+]1C ZINC001274760636 817084164 /nfs/dbraw/zinc/08/41/64/817084164.db2.gz OHJPZMLTSKPDPX-HZSPNIEDSA-N 2 0 348.513 -0.298 20 0 EBADRP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090306751 817241104 /nfs/dbraw/zinc/24/11/04/817241104.db2.gz LGBRHDQMGFUQFT-QWHCGFSZSA-N 2 0 327.450 -0.033 20 0 EBADRP C[C@@H](C[N@H+](C)[C@H]1CCC(=O)NC1=O)NC(=O)CC1CC[NH+](C)CC1 ZINC001275665282 817267936 /nfs/dbraw/zinc/26/79/36/817267936.db2.gz GLAWDDYEQNPFLH-JSGCOSHPSA-N 2 0 338.452 -0.040 20 0 EBADRP CN(CCC[NH2+][C@@H]1CCNC1=O)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001276072280 817352754 /nfs/dbraw/zinc/35/27/54/817352754.db2.gz XQLWDLZYFYFAPD-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4c[nH]c(=O)[nH]c4=O)CC3)[C@H]2C1 ZINC001276110133 817360579 /nfs/dbraw/zinc/36/05/79/817360579.db2.gz BPOYUWZMSVEFPO-RYUDHWBXSA-N 2 0 333.392 -0.470 20 0 EBADRP CN(CCC[NH2+]Cc1nncn1C)C(=O)COC1CC[NH+](C)CC1 ZINC001276305721 817383117 /nfs/dbraw/zinc/38/31/17/817383117.db2.gz JKFYDSAMJJEUSR-UHFFFAOYSA-N 2 0 338.456 -0.136 20 0 EBADRP C[NH+](C)CCNC(=S)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001277451950 817571802 /nfs/dbraw/zinc/57/18/02/817571802.db2.gz JEDIEUFNJASOAE-CHWSQXEVSA-N 2 0 339.509 -0.435 20 0 EBADRP Cn1nnnc1NC(=O)[C@H]1CCC2(C[NH+](CC3CC[NH2+]CC3)C2)O1 ZINC001277824630 817641461 /nfs/dbraw/zinc/64/14/61/817641461.db2.gz UQUQBFWSFCOMNX-GFCCVEGCSA-N 2 0 335.412 -0.618 20 0 EBADRP COC(=O)CC[N@@H+]1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001277872099 817649877 /nfs/dbraw/zinc/64/98/77/817649877.db2.gz PTYXUYRBDRENPV-QGZVFWFLSA-N 2 0 340.468 -0.232 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH2+]CCNS(C)(=O)=O)C1 ZINC001277940285 817660141 /nfs/dbraw/zinc/66/01/41/817660141.db2.gz GYXMYGHCKJZBGB-KGLIPLIRSA-N 2 0 346.497 -0.542 20 0 EBADRP CN(C)C(=O)CN1[C@@H]2CC[C@H]1C[N@@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001278117489 817703400 /nfs/dbraw/zinc/70/34/00/817703400.db2.gz SFCHEFVHUNQICW-CALCHBBNSA-N 2 0 337.512 -0.139 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@](C)(C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001278582734 817783053 /nfs/dbraw/zinc/78/30/53/817783053.db2.gz OWZILTPPUFPOJS-SUMWQHHRSA-N 2 0 338.452 -0.040 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001090956785 817828527 /nfs/dbraw/zinc/82/85/27/817828527.db2.gz JCMDDLQDYHSWAF-JXQTWKCFSA-N 2 0 348.451 -0.113 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CCn1cncn1)C(=O)C(C)(C)c1cnc[nH]1 ZINC001278828356 817853887 /nfs/dbraw/zinc/85/38/87/817853887.db2.gz WQQCNIMJCLMCDQ-LBPRGKRZSA-N 2 0 335.412 -0.612 20 0 EBADRP CC[C@@H](C(=O)N(C)C1CC([NH2+]CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001279315390 817916026 /nfs/dbraw/zinc/91/60/26/817916026.db2.gz HSXJXAQRSULVAP-BPCQOVAHSA-N 2 0 339.440 -0.543 20 0 EBADRP O=C(CC[NH2+]CCO)NC[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001279345718 817918720 /nfs/dbraw/zinc/91/87/20/817918720.db2.gz KYWIBMLWVQUQSZ-HNNXBMFYSA-N 2 0 340.468 -0.449 20 0 EBADRP Cc1nn(C)cc1C[NH2+]CCN(CCO)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001279831170 817992860 /nfs/dbraw/zinc/99/28/60/817992860.db2.gz VQIFDINGNCUIFE-AWEZNQCLSA-N 2 0 337.468 -0.019 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001093774299 818099385 /nfs/dbraw/zinc/09/93/85/818099385.db2.gz HBECXOUFQRHYBM-YUELXQCFSA-N 2 0 347.467 -0.264 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]Cc3nnnn3C)[C@H](C)C2)C1 ZINC001094041925 818149072 /nfs/dbraw/zinc/14/90/72/818149072.db2.gz IPGQWIWHQSFFNL-BFHYXJOUSA-N 2 0 335.456 -0.264 20 0 EBADRP COCC[NH2+]CC1(O)CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001281643005 818242969 /nfs/dbraw/zinc/24/29/69/818242969.db2.gz PAAURNSNSWCPOV-HNNXBMFYSA-N 2 0 343.468 -0.456 20 0 EBADRP C[NH+](C)CCCCC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC001281914140 818314555 /nfs/dbraw/zinc/31/45/55/818314555.db2.gz BUQLJZVSZBZXCS-ZNMIVQPWSA-N 2 0 340.468 -0.642 20 0 EBADRP CN(CC(C)(C)C[NH2+]CCNS(C)(=O)=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001282289811 818386395 /nfs/dbraw/zinc/38/63/95/818386395.db2.gz ZBCIVFJPQMYKMG-ZDUSSCGKSA-N 2 0 348.513 -0.296 20 0 EBADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]CC(=O)NC(N)=O ZINC001283174758 818685848 /nfs/dbraw/zinc/68/58/48/818685848.db2.gz ZHSSWPFTMMFASF-QWHCGFSZSA-N 2 0 341.456 -0.071 20 0 EBADRP CN1CC[C@@H]([NH2+]CCCOCCNC(=O)[C@H]2CCCC[N@@H+]2C)C1=O ZINC001283472998 818822853 /nfs/dbraw/zinc/82/28/53/818822853.db2.gz QYCXGVBTXXMDDX-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)[NH+](C)C ZINC001283617651 818882905 /nfs/dbraw/zinc/88/29/05/818882905.db2.gz JXBCAAMKXATLPU-JSGCOSHPSA-N 2 0 341.456 -0.439 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001284023969 819069968 /nfs/dbraw/zinc/06/99/68/819069968.db2.gz XPLQPWHZRPDDRF-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001284031131 819072817 /nfs/dbraw/zinc/07/28/17/819072817.db2.gz IZZNAXKKQGYHAU-KBPBESRZSA-N 2 0 348.513 -0.155 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CCO)CC(N)=O)CC1 ZINC001098386147 819163969 /nfs/dbraw/zinc/16/39/69/819163969.db2.gz LYCCAUBBBWEZJZ-HNNXBMFYSA-N 2 0 340.468 -0.369 20 0 EBADRP CCCNC(=O)C[N@H+](CCO)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001098467595 819204448 /nfs/dbraw/zinc/20/44/48/819204448.db2.gz KKEKOENZHCUQHM-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP CNC(=O)C[N@H+](CCO)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001098466595 819205043 /nfs/dbraw/zinc/20/50/43/819205043.db2.gz NNEJWUBOHKRYLQ-UHFFFAOYSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+]1CCC(CC(=O)N2CCC([N@H+](CCO)CC(N)=O)CC2)CC1 ZINC001098493028 819215630 /nfs/dbraw/zinc/21/56/30/819215630.db2.gz QJVAKMARUWFXIJ-UHFFFAOYSA-N 2 0 340.468 -0.511 20 0 EBADRP COCCC[N@H+](CCO)C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001098532908 819233849 /nfs/dbraw/zinc/23/38/49/819233849.db2.gz JYEAHBYSQLEMMX-UHFFFAOYSA-N 2 0 345.484 -0.114 20 0 EBADRP CO[C@H](C)C[N@H+](CCO)C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001098533269 819235300 /nfs/dbraw/zinc/23/53/00/819235300.db2.gz ZQVHMWRMELLTSQ-OAHLLOKOSA-N 2 0 345.484 -0.115 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC([NH+](CCO)CC(=O)NCC)CC1 ZINC001098540697 819238253 /nfs/dbraw/zinc/23/82/53/819238253.db2.gz VMKFXSWLOOXYJI-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP NC(=O)C[N@H+](CCO)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001098572686 819253415 /nfs/dbraw/zinc/25/34/15/819253415.db2.gz WKKPSLCCFJZBRD-UHFFFAOYSA-N 2 0 340.468 -0.367 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](n2cc(C[NH2+]C[C@H](C)O)nn2)C1 ZINC001098773431 819360950 /nfs/dbraw/zinc/36/09/50/819360950.db2.gz BSRZXAUVNRGEJR-DZGCQCFKSA-N 2 0 338.456 -0.136 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](n3cc(C[NH2+]CCCO)nn3)C2)C1 ZINC001098778825 819362425 /nfs/dbraw/zinc/36/24/25/819362425.db2.gz BRNIWEQDVXKUBR-HIFRSBDPSA-N 2 0 336.440 -0.525 20 0 EBADRP C[C@@H]([NH2+]CCOCCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)N(C)C ZINC001284875929 819385581 /nfs/dbraw/zinc/38/55/81/819385581.db2.gz GZUDAJCTKVLXNB-CQSZACIVSA-N 2 0 342.484 -0.131 20 0 EBADRP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C[C@H]2O)CCC1 ZINC001099874990 819814215 /nfs/dbraw/zinc/81/42/15/819814215.db2.gz UCWHIIIAPFVXEM-UONOGXRCSA-N 2 0 336.440 -0.686 20 0 EBADRP Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099880354 819824342 /nfs/dbraw/zinc/82/43/42/819824342.db2.gz YTZKTTBAEWNAFT-IRXDYDNUSA-N 2 0 349.479 -0.002 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O ZINC001099893294 819847926 /nfs/dbraw/zinc/84/79/26/819847926.db2.gz XOHUUSPXSHQCKN-GJZGRUSLSA-N 2 0 343.468 -0.721 20 0 EBADRP COCCOCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099972140 819976810 /nfs/dbraw/zinc/97/68/10/819976810.db2.gz RXHKURYQASGJSC-GJZGRUSLSA-N 2 0 343.468 -0.457 20 0 EBADRP Cn1ccc(C[N@@H+]2CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)cc1=O ZINC001099987025 819994101 /nfs/dbraw/zinc/99/41/01/819994101.db2.gz SOSOJOMLEJQKJX-GJZGRUSLSA-N 2 0 336.436 -0.612 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CC[NH+](CCOCCO)C[C@H]2O)C1 ZINC001100009188 820022606 /nfs/dbraw/zinc/02/26/06/820022606.db2.gz UFZNRLRMHHZMCN-LSDHHAIUSA-N 2 0 343.468 -0.721 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCc2ccnn2C)C[C@H]1O ZINC001100063669 820144140 /nfs/dbraw/zinc/14/41/40/820144140.db2.gz AWQWXCMIXWVLCX-JKSUJKDBSA-N 2 0 337.468 -0.144 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCN2CCCC2=O)C[C@H]1O ZINC001100080379 820178102 /nfs/dbraw/zinc/17/81/02/820178102.db2.gz ILXJGQGAUGRWEE-LSDHHAIUSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1O ZINC001100081491 820180488 /nfs/dbraw/zinc/18/04/88/820180488.db2.gz TVEVCWWREHNHRR-CABCVRRESA-N 2 0 331.457 -0.721 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCc2cnn(C)c2)C[C@H]1O ZINC001100083218 820184828 /nfs/dbraw/zinc/18/48/28/820184828.db2.gz OOSZLZUNFNFPNB-HZPDHXFCSA-N 2 0 337.468 -0.144 20 0 EBADRP COCCOCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100109290 820225609 /nfs/dbraw/zinc/22/56/09/820225609.db2.gz CCHYDKBOHKAKDE-HUUCEWRRSA-N 2 0 329.441 -0.703 20 0 EBADRP COCCOCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100131280 820267418 /nfs/dbraw/zinc/26/74/18/820267418.db2.gz AMKUTMHVMOEQLM-GJZGRUSLSA-N 2 0 331.457 -0.459 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001100343757 820368559 /nfs/dbraw/zinc/36/85/59/820368559.db2.gz RHFOVQKJCSYBAZ-BLYZHGLHSA-N 2 0 331.482 -0.144 20 0 EBADRP CC[C@H](C(=O)NCC1CC([NH2+]CC(=O)NCCCOC)C1)[NH+](C)C ZINC001100442847 820423237 /nfs/dbraw/zinc/42/32/37/820423237.db2.gz ZBSROAYZEXBMIM-YMAMQOFZSA-N 2 0 342.484 -0.036 20 0 EBADRP CC[C@H](C(=O)NCC1CC([NH2+]CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001100443436 820423514 /nfs/dbraw/zinc/42/35/14/820423514.db2.gz HNDSGAWRGVOSQB-WXRRBKDZSA-N 2 0 339.440 -0.637 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CC(CNC(=O)C3(C[NH+](C)C)CC3)C2)nc1=O ZINC001100617525 820489315 /nfs/dbraw/zinc/48/93/15/820489315.db2.gz ZQGKWQHJIINMEI-UHFFFAOYSA-N 2 0 336.440 -0.565 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100637264 820496258 /nfs/dbraw/zinc/49/62/58/820496258.db2.gz JXMDIJUNLISNSV-UHFFFAOYSA-N 2 0 327.429 -0.732 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001100635866 820496313 /nfs/dbraw/zinc/49/63/13/820496313.db2.gz JZOYQLCJSHPSSP-UHFFFAOYSA-N 2 0 339.440 -0.732 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC2CC([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001100678279 820508452 /nfs/dbraw/zinc/50/84/52/820508452.db2.gz GBHHXMQROSKYII-IYXRBSQSSA-N 2 0 331.482 -0.143 20 0 EBADRP CC[C@@H](C(=O)NCC1CC([NH2+]CCNS(=O)(=O)CC)C1)[NH+](C)C ZINC001100685001 820511491 /nfs/dbraw/zinc/51/14/91/820511491.db2.gz WCXAYRGPIWXGIF-RUXDESIVSA-N 2 0 348.513 -0.250 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1CC([NH2+]CCN2CCNC2=O)C1 ZINC001100770359 820546736 /nfs/dbraw/zinc/54/67/36/820546736.db2.gz CRFWDESRDKXTOY-UHFFFAOYSA-N 2 0 325.457 -0.162 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCC2CC([NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001100804501 820558074 /nfs/dbraw/zinc/55/80/74/820558074.db2.gz PDSRNWSMUQWNLY-SSDMNJCBSA-N 2 0 338.452 -0.530 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001100827617 820563211 /nfs/dbraw/zinc/56/32/11/820563211.db2.gz MKBNHCMPHLGWNK-HIFPTAJRSA-N 2 0 341.456 -0.343 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001100899813 820594700 /nfs/dbraw/zinc/59/47/00/820594700.db2.gz BUTGKPLLHUDFNI-HIFPTAJRSA-N 2 0 341.456 -0.214 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1CC([NH2+]CC(=O)N(C)C)C1 ZINC001100985889 820633317 /nfs/dbraw/zinc/63/33/17/820633317.db2.gz HXRVDQLKZZTJCA-WLYUNCDWSA-N 2 0 340.468 -0.473 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1CC([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001101039284 820661452 /nfs/dbraw/zinc/66/14/52/820661452.db2.gz DUQUQBLKPIXLBC-UHFFFAOYSA-N 2 0 348.513 -0.298 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1CC([NH2+]CC(=O)N2CCOCC2)C1 ZINC001101039615 820661684 /nfs/dbraw/zinc/66/16/84/820661684.db2.gz UXVJDFSNKDQQFV-UHFFFAOYSA-N 2 0 340.468 -0.330 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001293334555 820746628 /nfs/dbraw/zinc/74/66/28/820746628.db2.gz WKVNNMDHUJYOLC-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@@]2(C)C1 ZINC001101351896 820763488 /nfs/dbraw/zinc/76/34/88/820763488.db2.gz OVOXAGGNNXAYRR-HIFRSBDPSA-N 2 0 346.497 -0.732 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H](N(C)C(=O)COCC[NH+](C)C)C1)[NH+](C)C ZINC001293683641 820809202 /nfs/dbraw/zinc/80/92/02/820809202.db2.gz BGUWIWVZBUWXHJ-CABCVRRESA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320773 821069696 /nfs/dbraw/zinc/06/96/96/821069696.db2.gz SLQDOMILPGRESR-GRYCIOLGSA-N 2 0 327.429 -0.794 20 0 EBADRP COCCOC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320800 821070358 /nfs/dbraw/zinc/07/03/58/821070358.db2.gz TUWQABXVQCLUQJ-OAGGEKHMSA-N 2 0 345.484 -0.354 20 0 EBADRP C[C@H](COCC(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C)[NH+]1CCCC1 ZINC001102384935 821086701 /nfs/dbraw/zinc/08/67/01/821086701.db2.gz JXRNUWFKTOHRFI-RBSFLKMASA-N 2 0 340.468 -0.343 20 0 EBADRP C[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102510930 821132535 /nfs/dbraw/zinc/13/25/35/821132535.db2.gz BTTSHKFPMYQOAC-ZIAGYGMSSA-N 2 0 338.456 -0.423 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103663458 821337625 /nfs/dbraw/zinc/33/76/25/821337625.db2.gz CEKPKIFJUVIBSY-CHWSQXEVSA-N 2 0 341.456 -0.403 20 0 EBADRP COCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001105192829 821613028 /nfs/dbraw/zinc/61/30/28/821613028.db2.gz YCGXLNBOTRABDC-HNNXBMFYSA-N 2 0 336.440 -0.118 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1)C1CC1 ZINC001105259983 821651484 /nfs/dbraw/zinc/65/14/84/821651484.db2.gz VXPIIFFMJUYMIZ-HNNXBMFYSA-N 2 0 336.440 -0.526 20 0 EBADRP C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001105259536 821651593 /nfs/dbraw/zinc/65/15/93/821651593.db2.gz CJWNGSKFPOXVJU-NHYWBVRUSA-N 2 0 336.440 -0.528 20 0 EBADRP C[C@@H](O)CCC[NH2+]Cc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001105320662 821690889 /nfs/dbraw/zinc/69/08/89/821690889.db2.gz FCUSRJHHNJOOMJ-CYBMUJFWSA-N 2 0 338.456 -0.136 20 0 EBADRP C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105361229 821719286 /nfs/dbraw/zinc/71/92/86/821719286.db2.gz UMSLVCGXSTZIDV-STQMWFEESA-N 2 0 336.440 -0.526 20 0 EBADRP CC(C)[C@@H]1N(C(=O)CC[NH+](C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001105660444 821789511 /nfs/dbraw/zinc/78/95/11/821789511.db2.gz VDYIGBLXFIJQIO-OMNBBPDLSA-N 2 0 340.468 -0.611 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCc1nc(C[NH2+]CCCO)cc(=O)[nH]1 ZINC001316715945 821834615 /nfs/dbraw/zinc/83/46/15/821834615.db2.gz OWDKZTDIKBDOPR-CYBMUJFWSA-N 2 0 337.424 -0.245 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001317111547 822005970 /nfs/dbraw/zinc/00/59/70/822005970.db2.gz HJHHWYYOLWSIGT-XJFOESAGSA-N 2 0 336.436 -0.097 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1CCc2nnc(C[NH2+]CCCO)n2CC1 ZINC001128032384 828399257 /nfs/dbraw/zinc/39/92/57/828399257.db2.gz FSXVMYOXCUFIKQ-CYBMUJFWSA-N 2 0 338.456 -0.477 20 0 EBADRP CN(CC[NH2+]C[C@H]1CCS(=O)(=O)C1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001317587466 822166127 /nfs/dbraw/zinc/16/61/27/822166127.db2.gz KUBRDLZTCKDXHE-HIFRSBDPSA-N 2 0 343.493 -0.189 20 0 EBADRP CN(CC[NH2+]CCN1C(=O)CNC1=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001317617077 822179222 /nfs/dbraw/zinc/17/92/22/822179222.db2.gz KPQYOUMWCRKIFT-UHFFFAOYSA-N 2 0 339.440 -0.539 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001317625776 822182802 /nfs/dbraw/zinc/18/28/02/822182802.db2.gz JFABWHTWEUEURM-LSDHHAIUSA-N 2 0 340.468 -0.471 20 0 EBADRP CC(C)[C@H](C(=O)N(C)CC[NH2+]CCN1C(=O)CNC1=O)[NH+](C)C ZINC001317626065 822183565 /nfs/dbraw/zinc/18/35/65/822183565.db2.gz IRJZQVYWEVOSFZ-CYBMUJFWSA-N 2 0 327.429 -0.828 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C[NH2+]CCCO ZINC001106453684 822271271 /nfs/dbraw/zinc/27/12/71/822271271.db2.gz RJGVEAKGJLIIQA-HCBPCCMXSA-N 2 0 337.464 -0.084 20 0 EBADRP CCOCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106622534 822301099 /nfs/dbraw/zinc/30/10/99/822301099.db2.gz DFRJULCMMQCKRQ-HUUCEWRRSA-N 2 0 342.484 -0.225 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106623206 822301380 /nfs/dbraw/zinc/30/13/80/822301380.db2.gz MHWROTGIWARPKK-JHJVBQTASA-N 2 0 341.456 -0.534 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C2)C1 ZINC001106666491 822308044 /nfs/dbraw/zinc/30/80/44/822308044.db2.gz MJVXGBQCALQISK-YNEHKIRRSA-N 2 0 339.440 -0.793 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1CCN(c2cccc(C[NH2+]CCO)n2)C1 ZINC001128126959 828419061 /nfs/dbraw/zinc/41/90/61/828419061.db2.gz VATZLNKBKGKLJX-OAHLLOKOSA-N 2 0 335.452 -0.190 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001128533079 828471206 /nfs/dbraw/zinc/47/12/06/828471206.db2.gz GBDFFGUADHSFMU-CHWSQXEVSA-N 2 0 337.461 -0.193 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001128533113 828471292 /nfs/dbraw/zinc/47/12/92/828471292.db2.gz GYESZBRQTYTPMR-AWEZNQCLSA-N 2 0 346.447 -0.333 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001128533080 828471422 /nfs/dbraw/zinc/47/14/22/828471422.db2.gz GBDFFGUADHSFMU-OLZOCXBDSA-N 2 0 337.461 -0.193 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001128553350 828473669 /nfs/dbraw/zinc/47/36/69/828473669.db2.gz VUVNBMBUTLZVDN-UONOGXRCSA-N 2 0 329.420 -0.370 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1sccc1C[NH+](C)C ZINC001128553391 828474292 /nfs/dbraw/zinc/47/42/92/828474292.db2.gz WOJBZSFUPJJSIE-UHFFFAOYSA-N 2 0 341.437 -0.415 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001128779442 828525548 /nfs/dbraw/zinc/52/55/48/828525548.db2.gz WRRKZMVWVQNQFK-LSDHHAIUSA-N 2 0 340.468 -0.450 20 0 EBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001106984479 823712668 /nfs/dbraw/zinc/71/26/68/823712668.db2.gz PWBUUIBOIRXDLK-JHJVBQTASA-N 2 0 339.440 -0.650 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCS(C)(=O)=O ZINC001106980726 823712720 /nfs/dbraw/zinc/71/27/20/823712720.db2.gz AAOVYCANJUERQQ-MGPQQGTHSA-N 2 0 331.482 -0.333 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106986295 823713065 /nfs/dbraw/zinc/71/30/65/823713065.db2.gz JHFVVMJOMFMYRR-MGPQQGTHSA-N 2 0 326.441 -0.876 20 0 EBADRP C[NH+](C)CCC(=O)NCc1cn(C2C[NH+](C[C@@H]3CCOC3)C2)nn1 ZINC001107202622 823796445 /nfs/dbraw/zinc/79/64/45/823796445.db2.gz NXYMJXBUIGUICJ-ZDUSSCGKSA-N 2 0 336.440 -0.261 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129219908 828582216 /nfs/dbraw/zinc/58/22/16/828582216.db2.gz NEUYDMJEBUGUSE-ZNMIVQPWSA-N 2 0 336.440 -0.392 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)N1CCC1 ZINC001129363580 828604400 /nfs/dbraw/zinc/60/44/00/828604400.db2.gz KACDEBFODYZCIJ-HNNXBMFYSA-N 2 0 338.452 -0.432 20 0 EBADRP C[NH+](C)C1(C(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)CCC1 ZINC001129358886 828604933 /nfs/dbraw/zinc/60/49/33/828604933.db2.gz XLCPBMOTKKLQEE-CYBMUJFWSA-N 2 0 346.497 -0.542 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129363591 828605033 /nfs/dbraw/zinc/60/50/33/828605033.db2.gz KAQHDHWEMQXEQS-TZMCWYRMSA-N 2 0 326.441 -0.530 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001129423539 828616010 /nfs/dbraw/zinc/61/60/10/828616010.db2.gz URPHCKPKBCTBJB-NWDGAFQWSA-N 2 0 327.429 -0.462 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1)C1CC1 ZINC001129435293 828618529 /nfs/dbraw/zinc/61/85/29/828618529.db2.gz DVEAQAUBMWQYRE-ZFWWWQNUSA-N 2 0 326.441 -0.672 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]CCNC(=O)[C@@H](C2CC2)[NH+](C)C)s1 ZINC001129436558 828618832 /nfs/dbraw/zinc/61/88/32/828618832.db2.gz QZTOOTNZULEAFO-GFCCVEGCSA-N 2 0 340.453 -0.169 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CC1CCS(=O)(=O)CC1)C1CC1 ZINC001129435563 828619165 /nfs/dbraw/zinc/61/91/65/828619165.db2.gz HKNNJNAWSMIFST-CQSZACIVSA-N 2 0 331.482 -0.143 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]C[C@H]1CCCS(=O)(=O)C1)C1CC1 ZINC001129444776 828620342 /nfs/dbraw/zinc/62/03/42/828620342.db2.gz XQBLMEXPKQQDGB-TZMCWYRMSA-N 2 0 331.482 -0.143 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C)C(=O)NC(=O)NC1CC1 ZINC001129454503 828622625 /nfs/dbraw/zinc/62/26/25/828622625.db2.gz JVNKVRMUSSSWFH-GXFFZTMASA-N 2 0 339.440 -0.591 20 0 EBADRP Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)C[N@H+](C)C3CCC3)C2=O)cn1 ZINC001129535216 828631902 /nfs/dbraw/zinc/63/19/02/828631902.db2.gz LORBUSFPISRIHA-HNNXBMFYSA-N 2 0 348.451 -0.285 20 0 EBADRP C[N@H+](CC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1)C1CCC1 ZINC001129531957 828631104 /nfs/dbraw/zinc/63/11/04/828631104.db2.gz NQZOMODDASZMKX-CQSZACIVSA-N 2 0 326.441 -0.528 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129532217 828631136 /nfs/dbraw/zinc/63/11/36/828631136.db2.gz VOAKTSKIKUVXJC-UHFFFAOYSA-N 2 0 341.456 -0.342 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001109672494 824583003 /nfs/dbraw/zinc/58/30/03/824583003.db2.gz HIZVCCBJXFDPSP-WCVJEAGWSA-N 2 0 335.452 -0.083 20 0 EBADRP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977718 824638085 /nfs/dbraw/zinc/63/80/85/824638085.db2.gz WNGONYXJBHTOBZ-QPSCCSFWSA-N 2 0 329.441 -0.707 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129849627 828681115 /nfs/dbraw/zinc/68/11/15/828681115.db2.gz NWHVDXKWJCGRNM-CHWSQXEVSA-N 2 0 341.456 -0.199 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001129919198 828694029 /nfs/dbraw/zinc/69/40/29/828694029.db2.gz QFGKDROLHHMARA-MCIONIFRSA-N 2 0 338.456 -0.269 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129950266 828699297 /nfs/dbraw/zinc/69/92/97/828699297.db2.gz PUYDTNNTNICZJB-KGLIPLIRSA-N 2 0 330.473 -0.180 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129950760 828699690 /nfs/dbraw/zinc/69/96/90/828699690.db2.gz ZRAVBFAXYXLSTL-OLZOCXBDSA-N 2 0 343.472 -0.099 20 0 EBADRP COCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001130007581 828713686 /nfs/dbraw/zinc/71/36/86/828713686.db2.gz LWNJQHKVAQXASU-KFWWJZLASA-N 2 0 336.440 -0.250 20 0 EBADRP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277529 825044296 /nfs/dbraw/zinc/04/42/96/825044296.db2.gz WNGONYXJBHTOBZ-BARDWOONSA-N 2 0 329.441 -0.707 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130173917 828745310 /nfs/dbraw/zinc/74/53/10/828745310.db2.gz VDFQVPCCQDDPMN-UHFFFAOYSA-N 2 0 346.497 -0.493 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001130201116 828753854 /nfs/dbraw/zinc/75/38/54/828753854.db2.gz VNLNGCNARZEIPH-GFCCVEGCSA-N 2 0 329.445 -0.342 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+]CCCS(=O)(=O)CCOC)[NH+](C)C ZINC001130205479 828756291 /nfs/dbraw/zinc/75/62/91/828756291.db2.gz MRQYMERDXHNVKF-CYBMUJFWSA-N 2 0 337.486 -0.516 20 0 EBADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939484 825348461 /nfs/dbraw/zinc/34/84/61/825348461.db2.gz CHRANGWYLKCACG-ZQIUZPCESA-N 2 0 340.468 -0.201 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001130422140 828830619 /nfs/dbraw/zinc/83/06/19/828830619.db2.gz XYGIWMXLZYBGOU-LLVKDONJSA-N 2 0 341.456 -0.201 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+]C[C@H](O)COCCOC)[C@@H]1C ZINC001179763971 833009472 /nfs/dbraw/zinc/00/94/72/833009472.db2.gz RUDRUNKNKHFQFC-JYJNAYRXSA-N 2 0 345.484 -0.069 20 0 EBADRP CC(C)NC(=O)NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001114041302 826121542 /nfs/dbraw/zinc/12/15/42/826121542.db2.gz JMHKPLQOIPWFQK-LJISPDSOSA-N 2 0 337.468 -0.165 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)[C@@H]1C ZINC001179857086 833018437 /nfs/dbraw/zinc/01/84/37/833018437.db2.gz RIKGPGIPTNIGON-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]C[C@H](O)COCCOC)[C@@H]1C ZINC001179861490 833018512 /nfs/dbraw/zinc/01/85/12/833018512.db2.gz YQDOCTJTKWLMED-JYJNAYRXSA-N 2 0 345.484 -0.069 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)[C@@H]1C ZINC001179852514 833019570 /nfs/dbraw/zinc/01/95/70/833019570.db2.gz SPHYXJLWHQMBMU-AVGNSLFASA-N 2 0 341.456 -0.249 20 0 EBADRP C[C@H]1[C@@H]([NH2+][C@@H]2CCN(C)C2=O)CCN1C(=O)COCC[NH+](C)C ZINC001179934018 833027927 /nfs/dbraw/zinc/02/79/27/833027927.db2.gz RLHNBWQFRIRLDQ-MELADBBJSA-N 2 0 326.441 -0.626 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CCCC[NH+](C)C ZINC001179967573 833029776 /nfs/dbraw/zinc/02/97/76/833029776.db2.gz GLXARXSACIOULG-RYUDHWBXSA-N 2 0 327.429 -0.508 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCCCCC[NH2+]CCOCCO ZINC001180061188 833038845 /nfs/dbraw/zinc/03/88/45/833038845.db2.gz ZVIWAPXVIFFRRC-UHFFFAOYSA-N 2 0 333.473 -0.160 20 0 EBADRP CC(=O)NCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114779100 826340283 /nfs/dbraw/zinc/34/02/83/826340283.db2.gz XGFWDGQAQTWOPP-FOLVSLTJSA-N 2 0 326.441 -0.863 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001114778415 826340607 /nfs/dbraw/zinc/34/06/07/826340607.db2.gz KHZKGHRYPCCIDY-TTZDDIAXSA-N 2 0 343.493 -0.191 20 0 EBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C)C(=O)NC(N)=O ZINC001180131374 833045317 /nfs/dbraw/zinc/04/53/17/833045317.db2.gz AWTWMPUEHQHNQA-SRVKXCTJSA-N 2 0 325.413 -0.755 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001180138850 833046507 /nfs/dbraw/zinc/04/65/07/833046507.db2.gz OYDDKCMQTLPDIV-XQQFMLRXSA-N 2 0 332.470 -0.934 20 0 EBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2[C@H]3C[N@H+](CCOCCO)C[C@H]32)CC1 ZINC001115037997 826405648 /nfs/dbraw/zinc/40/56/48/826405648.db2.gz FRKPDWRRUBNDGN-QLPKVWCKSA-N 2 0 341.452 -0.848 20 0 EBADRP CN(CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1)S(C)(=O)=O ZINC001115242002 826467706 /nfs/dbraw/zinc/46/77/06/826467706.db2.gz SUGQHQGVQVTGCI-NHAGDIPZSA-N 2 0 344.481 -0.980 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001115292735 826497255 /nfs/dbraw/zinc/49/72/55/826497255.db2.gz UKNFLGFREQROOP-LJIGWXMPSA-N 2 0 325.453 -0.084 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCCCCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001180265059 833065807 /nfs/dbraw/zinc/06/58/07/833065807.db2.gz NNXJLGLBKRBQDP-CQSZACIVSA-N 2 0 348.513 -0.247 20 0 EBADRP CNC(=O)C[NH2+]CCCCCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001180278434 833069227 /nfs/dbraw/zinc/06/92/27/833069227.db2.gz FCRAKRCZVGNDKF-OAHLLOKOSA-N 2 0 342.484 -0.033 20 0 EBADRP NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCCCC1 ZINC001115546196 826556028 /nfs/dbraw/zinc/55/60/28/826556028.db2.gz GYNDJHOSIICDNX-KGLIPLIRSA-N 2 0 338.452 -0.256 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCCCC1 ZINC001115777433 826584071 /nfs/dbraw/zinc/58/40/71/826584071.db2.gz ZSYKPRNPIYPJSU-UHFFFAOYSA-N 2 0 341.456 -0.068 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CN1C(=O)CNC1=O ZINC001180382193 833079654 /nfs/dbraw/zinc/07/96/54/833079654.db2.gz PIJYRSOYIBSTQG-UHFFFAOYSA-N 2 0 327.429 -0.730 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH3+])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001118573618 826961539 /nfs/dbraw/zinc/96/15/39/826961539.db2.gz DQTYXIHCNAEKQH-CABCVRRESA-N 2 0 339.484 -0.722 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC001119296923 827097715 /nfs/dbraw/zinc/09/77/15/827097715.db2.gz BQFXZUXEDBRRQT-KRWDZBQOSA-N 2 0 340.468 -0.151 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCCO1 ZINC001119403648 827105513 /nfs/dbraw/zinc/10/55/13/827105513.db2.gz MKSZESWQXIRHIZ-MELADBBJSA-N 2 0 326.441 -0.543 20 0 EBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)CC1 ZINC001119423715 827107947 /nfs/dbraw/zinc/10/79/47/827107947.db2.gz QOFMZMKKYVUTRK-UHFFFAOYSA-N 2 0 337.468 -0.778 20 0 EBADRP CNC(=O)C[NH2+]C1(CNC(=O)COCC[NH+](C)C)CCCCC1 ZINC001120005136 827168542 /nfs/dbraw/zinc/16/85/42/827168542.db2.gz KEGDSWAGOLVSQI-UHFFFAOYSA-N 2 0 328.457 -0.281 20 0 EBADRP COC[C@@H](O)C[NH2+]C1(CNC(=O)COCC[NH+](C)C)CCCCC1 ZINC001120004894 827168592 /nfs/dbraw/zinc/16/85/92/827168592.db2.gz JGOZGJJKVUTQAX-HNNXBMFYSA-N 2 0 345.484 -0.019 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC[S@](=O)CC(F)(F)F)CC1 ZINC001120521552 827239892 /nfs/dbraw/zinc/23/98/92/827239892.db2.gz NXBWYMODNUNGDU-MQJDWESPSA-N 2 0 331.404 -0.505 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCc2cccnc2)C1 ZINC001181652815 833171067 /nfs/dbraw/zinc/17/10/67/833171067.db2.gz QSTIZDOGGRYROA-CVEARBPZSA-N 2 0 345.447 -0.018 20 0 EBADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)C2(O)CC[NH+](C)CC2)C1 ZINC001182030730 833195405 /nfs/dbraw/zinc/19/54/05/833195405.db2.gz FYZGSGQJCSXZJH-CQSZACIVSA-N 2 0 335.452 -0.140 20 0 EBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1=O ZINC001121925589 827483023 /nfs/dbraw/zinc/48/30/23/827483023.db2.gz CAEXNNHLHHALSL-CABCVRRESA-N 2 0 338.452 -0.636 20 0 EBADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001121952739 827490849 /nfs/dbraw/zinc/49/08/49/827490849.db2.gz LWQOESIEAMJGKG-BBRMVZONSA-N 2 0 327.425 -0.509 20 0 EBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NCCCN1CC[NH+](C)CC1 ZINC001122004864 827501891 /nfs/dbraw/zinc/50/18/91/827501891.db2.gz CJZMBDNBPHYKDC-OAHLLOKOSA-N 2 0 327.473 -0.770 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC1CC2(C1)CC([NH2+]CC(=O)NC(N)=O)C2 ZINC001122242571 827555896 /nfs/dbraw/zinc/55/58/96/827555896.db2.gz JWCDZKKHIVOQFC-UHFFFAOYSA-N 2 0 339.440 -0.462 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CC3)C2)n1 ZINC001182669823 833251795 /nfs/dbraw/zinc/25/17/95/833251795.db2.gz BRMKDWSGFRHCKJ-CQSZACIVSA-N 2 0 348.451 -0.473 20 0 EBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)C1([NH+](C)C)CC1)CC2 ZINC001182596607 833246405 /nfs/dbraw/zinc/24/64/05/833246405.db2.gz JSIHBKMKSHFBSW-UHFFFAOYSA-N 2 0 349.435 -0.055 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001124867040 827969098 /nfs/dbraw/zinc/96/90/98/827969098.db2.gz QPLZJTRMPFPWLD-UKRRQHHQSA-N 2 0 329.441 -0.657 20 0 EBADRP Cc1cc(N2CC[C@@H]([NH2+]CCNC(=O)[C@@H]3CCC[N@@H+]3C)C2=O)n(C)n1 ZINC001124867426 827970148 /nfs/dbraw/zinc/97/01/48/827970148.db2.gz VQNMLYMLVALILV-KGLIPLIRSA-N 2 0 348.451 -0.366 20 0 EBADRP Cc1cc(N2CC[C@H]([NH2+]CCNC(=O)[C@H]3CCC[N@@H+]3C)C2=O)n(C)n1 ZINC001124867427 827970165 /nfs/dbraw/zinc/97/01/65/827970165.db2.gz VQNMLYMLVALILV-UONOGXRCSA-N 2 0 348.451 -0.366 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCCOc1ccccc1 ZINC001124878100 827972027 /nfs/dbraw/zinc/97/20/27/827972027.db2.gz LLRZCGBRQAUGPJ-MRXNPFEDSA-N 2 0 348.447 -0.018 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001183038619 833277484 /nfs/dbraw/zinc/27/74/84/833277484.db2.gz DXBIHQKOQBISRH-NEPJUHHUSA-N 2 0 325.413 -0.754 20 0 EBADRP C[C@H]([NH2+]C[C@]1(C)CN(C(=O)COCC[NH+](C)C)C[C@H]1C)C(N)=O ZINC001183164861 833282382 /nfs/dbraw/zinc/28/23/82/833282382.db2.gz BZKVRIIUMHNKGH-DVOMOZLQSA-N 2 0 328.457 -0.487 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001183165225 833282557 /nfs/dbraw/zinc/28/25/57/833282557.db2.gz SPQCTFULWRZZEX-JKIFEVAISA-N 2 0 342.484 -0.227 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@]1(C)C[NH2+]Cc1nnnn1C ZINC001183398804 833289103 /nfs/dbraw/zinc/28/91/03/833289103.db2.gz IKQFRAPHAQRAHK-DVOMOZLQSA-N 2 0 335.456 -0.264 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183436206 833290674 /nfs/dbraw/zinc/29/06/74/833290674.db2.gz KOEINUGNNMQADT-OCCSQVGLSA-N 2 0 341.456 -0.391 20 0 EBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)Cn1cc(F)c(=O)[nH]c1=O ZINC001183665770 833299776 /nfs/dbraw/zinc/29/97/76/833299776.db2.gz KTULTQAYXSBBCJ-UHFFFAOYSA-N 2 0 328.348 -0.848 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127077699 828248147 /nfs/dbraw/zinc/24/81/47/828248147.db2.gz IAKLYSGPDKZXKG-OAHLLOKOSA-N 2 0 328.457 -0.282 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001127082546 828249801 /nfs/dbraw/zinc/24/98/01/828249801.db2.gz UKLQJLOUEVKQAZ-HUUCEWRRSA-N 2 0 340.468 -0.188 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCOCC1 ZINC001127255353 828269006 /nfs/dbraw/zinc/26/90/06/828269006.db2.gz IVQQPJUGBJRRAM-GJZGRUSLSA-N 2 0 338.452 -0.575 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1)Nc1cnccn1 ZINC001127256802 828269935 /nfs/dbraw/zinc/26/99/35/828269935.db2.gz RXOLGEARPOFLPY-KGLIPLIRSA-N 2 0 346.435 -0.005 20 0 EBADRP O=C(NCC[NH2+]CCN1C(=O)CCC1=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127261359 828271128 /nfs/dbraw/zinc/27/11/28/828271128.db2.gz ITTRSUAFJLOTEN-KBPBESRZSA-N 2 0 336.436 -0.284 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127481534 828298031 /nfs/dbraw/zinc/29/80/31/828298031.db2.gz UOUDVKSAIXIHRU-CQSZACIVSA-N 2 0 346.497 -0.685 20 0 EBADRP O=C(NCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001127480449 828298073 /nfs/dbraw/zinc/29/80/73/828298073.db2.gz KARVTZGNKYTRGL-HIFRSBDPSA-N 2 0 343.493 -0.141 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571410 828303636 /nfs/dbraw/zinc/30/36/36/828303636.db2.gz RDVJTKFGMBQSNJ-CFVMTHIKSA-N 2 0 340.468 -0.426 20 0 EBADRP CN(C(=O)C[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1)C1CC1 ZINC001127562779 828304145 /nfs/dbraw/zinc/30/41/45/828304145.db2.gz PIZDGSPMUNKWKG-UHFFFAOYSA-N 2 0 336.440 -0.615 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)N2CCO[C@H](C)C2)CC[N@@H+]1C ZINC001127644085 828309968 /nfs/dbraw/zinc/30/99/68/828309968.db2.gz UGCHVBRTMYACAI-MGPQQGTHSA-N 2 0 326.441 -0.720 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)CC[N@@H+]1C ZINC001127695786 828315016 /nfs/dbraw/zinc/31/50/16/828315016.db2.gz YEYJPDGPILEZOF-SOUVJXGZSA-N 2 0 340.468 -0.282 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127695807 828315549 /nfs/dbraw/zinc/31/55/49/828315549.db2.gz ZNWLSWHTVOEPFH-QWHCGFSZSA-N 2 0 341.456 -0.342 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CCNS(=O)(=O)CC)CC[N@@H+]1C ZINC001127701805 828316979 /nfs/dbraw/zinc/31/69/79/828316979.db2.gz YCABTUKSZBBXCH-QWHCGFSZSA-N 2 0 334.486 -0.638 20 0 EBADRP O=C(NCC[NH2+]CCCN1CCCC1=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127766347 828321703 /nfs/dbraw/zinc/32/17/03/828321703.db2.gz VFKRDSWHSYVRQY-CABCVRRESA-N 2 0 338.452 -0.432 20 0 EBADRP CCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127777699 828324548 /nfs/dbraw/zinc/32/45/48/828324548.db2.gz BGIZSRIQZJSPPX-KBPBESRZSA-N 2 0 326.441 -0.528 20 0 EBADRP Cn1ccc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1=O ZINC001127778029 828324925 /nfs/dbraw/zinc/32/49/25/828324925.db2.gz CFQWJXLFTFMSOT-GJZGRUSLSA-N 2 0 334.420 -0.546 20 0 EBADRP Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001127779557 828327952 /nfs/dbraw/zinc/32/79/52/828327952.db2.gz NXICVYJNOPFZQT-HUUCEWRRSA-N 2 0 336.440 -0.536 20 0 EBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127778889 828328775 /nfs/dbraw/zinc/32/87/75/828328775.db2.gz HSGVOEBHSFSGSR-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP COc1cncc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001127785766 828330281 /nfs/dbraw/zinc/33/02/81/828330281.db2.gz PVJMMDZVDDWVSK-KBPBESRZSA-N 2 0 335.408 -0.446 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001130708591 828919399 /nfs/dbraw/zinc/91/93/99/828919399.db2.gz ABPVMRLENPRLLS-CQSZACIVSA-N 2 0 338.452 -0.038 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001130710978 828920699 /nfs/dbraw/zinc/92/06/99/828920699.db2.gz KHOPVCHSORAXLY-OAHLLOKOSA-N 2 0 342.484 -0.035 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130874911 828985954 /nfs/dbraw/zinc/98/59/54/828985954.db2.gz UBLBYILCBNXJDG-UHFFFAOYSA-N 2 0 333.392 -0.194 20 0 EBADRP CN(CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)S(C)(=O)=O ZINC001185230421 833350580 /nfs/dbraw/zinc/35/05/80/833350580.db2.gz RGAVYFXWYOZMNK-CYBMUJFWSA-N 2 0 346.497 -0.590 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)CC1 ZINC001185230643 833350641 /nfs/dbraw/zinc/35/06/41/833350641.db2.gz YFSHCDSVBGWFAN-CQSZACIVSA-N 2 0 338.452 -0.623 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185248634 833351451 /nfs/dbraw/zinc/35/14/51/833351451.db2.gz JDEZNCWDQRIMSG-CYBMUJFWSA-N 2 0 341.456 -0.246 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001185250022 833351669 /nfs/dbraw/zinc/35/16/69/833351669.db2.gz BRSGYSNDOVYFTQ-GJZGRUSLSA-N 2 0 334.468 -0.351 20 0 EBADRP CS(=O)(=O)CC[NH2+]CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001131196834 829070060 /nfs/dbraw/zinc/07/00/60/829070060.db2.gz ZZOMXHDQKNGOSF-UHFFFAOYSA-N 2 0 337.405 -0.369 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185408191 833357907 /nfs/dbraw/zinc/35/79/07/833357907.db2.gz NKWPIZBAVRDJAI-CYBMUJFWSA-N 2 0 334.486 -0.542 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001185401903 833358002 /nfs/dbraw/zinc/35/80/02/833358002.db2.gz YPQLJIUDJMRNTL-CABCVRRESA-N 2 0 343.468 -0.315 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001185407846 833358026 /nfs/dbraw/zinc/35/80/26/833358026.db2.gz GDHUZSXZDVDKSU-GFCCVEGCSA-N 2 0 325.413 -0.883 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2nncs2)C1 ZINC001185408389 833358033 /nfs/dbraw/zinc/35/80/33/833358033.db2.gz REKVORDZOLLIER-SNVBAGLBSA-N 2 0 326.426 -0.381 20 0 EBADRP C[C@H]1CN(C(=O)COCC[NH+](C)C)CC[C@H]1C[NH2+]CCOCCO ZINC001185504798 833360447 /nfs/dbraw/zinc/36/04/47/833360447.db2.gz WVJLYLWBGAZNRB-HOTGVXAUSA-N 2 0 345.484 -0.352 20 0 EBADRP O=C(NCC[NH2+]CCOCC(F)F)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520464 829152149 /nfs/dbraw/zinc/15/21/49/829152149.db2.gz YPMZSASFUTZJKO-AVERBVTBSA-N 2 0 333.379 -0.163 20 0 EBADRP CCn1nnc(C)c1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519751 829152895 /nfs/dbraw/zinc/15/28/95/829152895.db2.gz JYZPMWGDSIDVTI-GULBITTBSA-N 2 0 348.451 -0.325 20 0 EBADRP CCCC[C@@H]([NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C(N)=O ZINC001131522236 829154290 /nfs/dbraw/zinc/15/42/90/829154290.db2.gz YKCPUNQKFWXOHL-YXXKGXSTSA-N 2 0 338.452 -0.401 20 0 EBADRP Cc1nccnc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131521775 829154896 /nfs/dbraw/zinc/15/48/96/829154896.db2.gz HDFZCFLTUMSIQC-GULBITTBSA-N 2 0 331.420 -0.146 20 0 EBADRP COCC[N@@H+]1CC[C@]2(C1)CN(C(=O)COCC[NH+](C)C)C[C@H](C)O2 ZINC001131692498 829187572 /nfs/dbraw/zinc/18/75/72/829187572.db2.gz HSNKBBZLFFVUQC-RDJZCZTQSA-N 2 0 343.468 -0.097 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1)C(=O)NC(N)=O ZINC001131790317 829217731 /nfs/dbraw/zinc/21/77/31/829217731.db2.gz LHGABWCPBCXDAS-PWSUYJOCSA-N 2 0 325.413 -0.850 20 0 EBADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)C(C)C ZINC001186428579 833401241 /nfs/dbraw/zinc/40/12/41/833401241.db2.gz RNULYXCCTFMLOA-TZMCWYRMSA-N 2 0 341.456 -0.262 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132280421 829405897 /nfs/dbraw/zinc/40/58/97/829405897.db2.gz IIINOKLNNIJBOM-GFCCVEGCSA-N 2 0 341.456 -0.199 20 0 EBADRP CC(C)(C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1)[NH+]1CCCC1 ZINC001132287558 829406703 /nfs/dbraw/zinc/40/67/03/829406703.db2.gz ZQMPUSXLUOGGCS-CQSZACIVSA-N 2 0 340.468 -0.281 20 0 EBADRP CC1CC[NH+](CC(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001186554770 833405692 /nfs/dbraw/zinc/40/56/92/833405692.db2.gz GHHMVIJUWPBRME-GFCCVEGCSA-N 2 0 325.413 -0.896 20 0 EBADRP COCCOCC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001186615487 833409033 /nfs/dbraw/zinc/40/90/33/833409033.db2.gz FWXJNRDOXDAMQT-OAHLLOKOSA-N 2 0 343.468 -0.049 20 0 EBADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001186616826 833410270 /nfs/dbraw/zinc/41/02/70/833410270.db2.gz ZOWPIMDJGNVTTA-ZIAGYGMSSA-N 2 0 329.441 -0.705 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCCS(C)(=O)=O)C1 ZINC001132848951 829534316 /nfs/dbraw/zinc/53/43/16/829534316.db2.gz XIDGQMZIJHJPLG-ZDUSSCGKSA-N 2 0 335.470 -0.764 20 0 EBADRP CC(C)[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H](C)CS(C)(=O)=O)C1 ZINC001132851996 829536590 /nfs/dbraw/zinc/53/65/90/829536590.db2.gz FIMUQKYCTJCYSG-KBPBESRZSA-N 2 0 349.497 -0.518 20 0 EBADRP CC(C)[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132859110 829540011 /nfs/dbraw/zinc/54/00/11/829540011.db2.gz WMCWMFDMOMBRDV-CABCVRRESA-N 2 0 342.484 -0.038 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993051 829567649 /nfs/dbraw/zinc/56/76/49/829567649.db2.gz LMLODJGUQGNYSH-UHFFFAOYSA-N 2 0 334.486 -0.637 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F)CC1 ZINC001132994950 829568900 /nfs/dbraw/zinc/56/89/00/829568900.db2.gz HHTQGLPXPQKVRG-NSHDSACASA-N 2 0 341.374 -0.026 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993277 829569228 /nfs/dbraw/zinc/56/92/28/829569228.db2.gz RHBJGKGSTAZRGS-UHFFFAOYSA-N 2 0 327.429 -0.730 20 0 EBADRP C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133091508 829582669 /nfs/dbraw/zinc/58/26/69/829582669.db2.gz RXDSCFKQOYOETG-NWDGAFQWSA-N 2 0 327.429 -0.793 20 0 EBADRP C[NH+]1CCC(C(=O)NCC[NH2+]C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC001133285994 829615858 /nfs/dbraw/zinc/61/58/58/829615858.db2.gz RKXFKRZQYINTHA-JKSUJKDBSA-N 2 0 343.468 -0.410 20 0 EBADRP C[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)CC1 ZINC001133287676 829616120 /nfs/dbraw/zinc/61/61/20/829616120.db2.gz LUYLHSBEBXVJRY-UHFFFAOYSA-N 2 0 325.413 -0.978 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]CCNC(=O)C2CC[NH+](C)CC2)s1 ZINC001133288096 829616187 /nfs/dbraw/zinc/61/61/87/829616187.db2.gz RQGSEDLGRCUACW-UHFFFAOYSA-N 2 0 340.453 -0.167 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001133297129 829617812 /nfs/dbraw/zinc/61/78/12/829617812.db2.gz HWNOOFYGMWUKHK-CQSZACIVSA-N 2 0 326.441 -0.719 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001186824575 833431621 /nfs/dbraw/zinc/43/16/21/833431621.db2.gz BCOVVHQQPCCHDK-CYBMUJFWSA-N 2 0 341.456 -0.246 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001186824542 833431860 /nfs/dbraw/zinc/43/18/60/833431860.db2.gz AEXKXKJKVBJVFN-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001186834492 833432579 /nfs/dbraw/zinc/43/25/79/833432579.db2.gz QEFMLDSIHIPTKM-GFCCVEGCSA-N 2 0 325.413 -0.930 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O ZINC001133823581 829679802 /nfs/dbraw/zinc/67/98/02/829679802.db2.gz JSXAQLZMWBKPJA-ZIAGYGMSSA-N 2 0 348.451 -0.285 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)Nc2nncs2)C1 ZINC001133845336 829684342 /nfs/dbraw/zinc/68/43/42/829684342.db2.gz BQDDIHZFBLAISI-JTQLQIEISA-N 2 0 326.426 -0.476 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+][C@@H]2CCN(c3ccn(C)n3)C2=O)C1 ZINC001133851126 829686263 /nfs/dbraw/zinc/68/62/63/829686263.db2.gz XHPNIWXQZUPQDA-UONOGXRCSA-N 2 0 348.451 -0.427 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001133851020 829687029 /nfs/dbraw/zinc/68/70/29/829687029.db2.gz UZMPJKIDWZKYNY-CABCVRRESA-N 2 0 343.468 -0.410 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)NCc1cccnc1 ZINC001133866915 829689530 /nfs/dbraw/zinc/68/95/30/829689530.db2.gz PUDGSBFKZZWSOI-ZFWWWQNUSA-N 2 0 333.436 -0.399 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)s1 ZINC001133870680 829691347 /nfs/dbraw/zinc/69/13/47/829691347.db2.gz VGKKJEIRHSMJRH-MWLCHTKSSA-N 2 0 340.453 -0.311 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001133869321 829691430 /nfs/dbraw/zinc/69/14/30/829691430.db2.gz DGSGPARLOWPVEQ-OLZOCXBDSA-N 2 0 331.482 -0.285 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133896266 829695269 /nfs/dbraw/zinc/69/52/69/829695269.db2.gz GCRMVLCELLLGDR-GFCCVEGCSA-N 2 0 343.472 -0.096 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C[N@H+](C)CCc1ccccc1)C(=O)NC(N)=O ZINC001133899530 829695446 /nfs/dbraw/zinc/69/54/46/829695446.db2.gz KPFFHUKMDDUJLL-CYBMUJFWSA-N 2 0 349.435 -0.550 20 0 EBADRP C[N@H+](CC(=O)NCC[NH2+]CCN1CCCS1(=O)=O)CC(C)(C)C ZINC001133899758 829696217 /nfs/dbraw/zinc/69/62/17/829696217.db2.gz VZQJUCIQBYSPKS-UHFFFAOYSA-N 2 0 348.513 -0.294 20 0 EBADRP C[N@H+](CCc1ccccc1)CC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001133917556 829699139 /nfs/dbraw/zinc/69/91/39/829699139.db2.gz CHSQQBHIAVNHRV-UHFFFAOYSA-N 2 0 347.463 -0.108 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1)[NH+](C)C ZINC001133965609 829707014 /nfs/dbraw/zinc/70/70/14/829707014.db2.gz AYOATRFPCVEVHI-HIFRSBDPSA-N 2 0 331.457 -0.411 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O)[NH+](C)C ZINC001133965607 829707164 /nfs/dbraw/zinc/70/71/64/829707164.db2.gz AXVUELPPNHPBPA-OLZOCXBDSA-N 2 0 336.440 -0.429 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O)[NH+](C)C ZINC001133968183 829707943 /nfs/dbraw/zinc/70/79/43/829707943.db2.gz QUTBNMSSUZCAQD-NSHDSACASA-N 2 0 327.429 -0.637 20 0 EBADRP C[C@@H](COCC(=O)NCC[NH2+]CC(=O)N1CCCC1)[NH+]1CCCC1 ZINC001134021072 829713026 /nfs/dbraw/zinc/71/30/26/829713026.db2.gz QFDVRKUQQQWENR-HNNXBMFYSA-N 2 0 340.468 -0.185 20 0 EBADRP CCCNC(=O)C[NH2+]CCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001134020890 829713317 /nfs/dbraw/zinc/71/33/17/829713317.db2.gz JPTUXALCCKSVBV-CQSZACIVSA-N 2 0 328.457 -0.281 20 0 EBADRP C[C@H](COCC(=O)NCC[NH2+]CC(=O)N(C)C1CC1)[NH+]1CCCC1 ZINC001134021056 829713679 /nfs/dbraw/zinc/71/36/79/829713679.db2.gz PHCSOZPGSYAYGH-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H](COCC(=O)NCC[NH2+]CC(=O)NCC1CC1)[NH+]1CCCC1 ZINC001134054408 829718318 /nfs/dbraw/zinc/71/83/18/829718318.db2.gz IHPCUWMXVXUOPP-AWEZNQCLSA-N 2 0 340.468 -0.281 20 0 EBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001134054675 829719817 /nfs/dbraw/zinc/71/98/17/829719817.db2.gz OVPHGPHRFVAVHH-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001134606948 829801999 /nfs/dbraw/zinc/80/19/99/829801999.db2.gz BPCZJNLJXTVUKE-STQMWFEESA-N 2 0 348.513 -0.107 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C[N@H+](C)C1CCC1 ZINC001134607805 829802336 /nfs/dbraw/zinc/80/23/36/829802336.db2.gz LZSMMZFHXJMYQJ-RYUDHWBXSA-N 2 0 338.456 -0.034 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001134758974 829840489 /nfs/dbraw/zinc/84/04/89/829840489.db2.gz DEKBIFGCLMCPCA-QWHCGFSZSA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)[NH+]1CCCCCC1 ZINC001134759605 829840857 /nfs/dbraw/zinc/84/08/57/829840857.db2.gz VBCCEVRDWNUDLA-ZDUSSCGKSA-N 2 0 334.486 -0.494 20 0 EBADRP C[NH+]1CCC(CC(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)CC1 ZINC001134780431 829844632 /nfs/dbraw/zinc/84/46/32/829844632.db2.gz GSPBNMPMAYYTEU-UHFFFAOYSA-N 2 0 339.440 -0.634 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858846 829859557 /nfs/dbraw/zinc/85/95/57/829859557.db2.gz ZCMRWEZUPGHANV-VXGBXAGGSA-N 2 0 339.440 -0.317 20 0 EBADRP CN(CC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)S(C)(=O)=O ZINC001135095939 829897877 /nfs/dbraw/zinc/89/78/77/829897877.db2.gz XEWNWJLZRORAIX-KBPBESRZSA-N 2 0 346.497 -0.400 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135103035 829898252 /nfs/dbraw/zinc/89/82/52/829898252.db2.gz SOADOFCQOCYIHF-KBPBESRZSA-N 2 0 346.497 -0.352 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135102845 829898540 /nfs/dbraw/zinc/89/85/40/829898540.db2.gz OZLXVWBJESXSEO-JKSUJKDBSA-N 2 0 340.468 -0.138 20 0 EBADRP CCCC[C@H]([NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1)C(N)=O ZINC001135118782 829900378 /nfs/dbraw/zinc/90/03/78/829900378.db2.gz SJGMXHXFEVUDSM-AWEZNQCLSA-N 2 0 338.456 -0.192 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135341435 829949343 /nfs/dbraw/zinc/94/93/43/829949343.db2.gz WFIDGIWJKKTJJJ-UHFFFAOYSA-N 2 0 335.408 -0.477 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CCN(C)S(C)(=O)=O)NC(=O)CC[NH+](C)C ZINC001135371476 829955239 /nfs/dbraw/zinc/95/52/39/829955239.db2.gz GDBOAQMHLFVREI-CHWSQXEVSA-N 2 0 336.502 -0.298 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001135513710 829979486 /nfs/dbraw/zinc/97/94/86/829979486.db2.gz VNPUDUPQLGNPPD-CABCVRRESA-N 2 0 331.457 -0.410 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC001135513651 829979500 /nfs/dbraw/zinc/97/95/00/829979500.db2.gz SYMXAMJOPJFOAE-UONOGXRCSA-N 2 0 328.457 -0.282 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001135513711 829979907 /nfs/dbraw/zinc/97/99/07/829979907.db2.gz VNPUDUPQLGNPPD-GJZGRUSLSA-N 2 0 331.457 -0.410 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)CC1CC[NH+](C)CC1)[NH2+]CC(=O)NC(N)=O ZINC001135612909 829994545 /nfs/dbraw/zinc/99/45/45/829994545.db2.gz BDZVYGQPFYUISI-NEPJUHHUSA-N 2 0 341.456 -0.214 20 0 EBADRP CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135651416 829998048 /nfs/dbraw/zinc/99/80/48/829998048.db2.gz KXRBMLBHCUFYAI-OLZOCXBDSA-N 2 0 338.456 -0.323 20 0 EBADRP CC1CC[NH+](CC(=O)NCC[NH2+]CC(=O)N2CCOCC2)CC1 ZINC001135706899 830013974 /nfs/dbraw/zinc/01/39/74/830013974.db2.gz LNRWEKFMDCHYOH-UHFFFAOYSA-N 2 0 326.441 -0.717 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CC(=O)N1CCC1)NC(=O)COCC[NH+](C)C ZINC001135923008 830046477 /nfs/dbraw/zinc/04/64/77/830046477.db2.gz FKBRSIKGHWJVRC-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CC(=O)NC1CC1)NC(=O)COCC[NH+](C)C ZINC001135922931 830046692 /nfs/dbraw/zinc/04/66/92/830046692.db2.gz DIEWLIDTJSQZBG-QWHCGFSZSA-N 2 0 328.457 -0.284 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)COCC[NH+](C)C)[NH2+]CCNC(=O)C1CC1 ZINC001135923666 830047841 /nfs/dbraw/zinc/04/78/41/830047841.db2.gz MOFBJIAPJNTGNI-KGLIPLIRSA-N 2 0 342.484 -0.036 20 0 EBADRP CCN(C)C(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001135924059 830048045 /nfs/dbraw/zinc/04/80/45/830048045.db2.gz POKKMJAJIXRTFI-UONOGXRCSA-N 2 0 330.473 -0.084 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)COCC[NH+](C)C ZINC001135923430 830048121 /nfs/dbraw/zinc/04/81/21/830048121.db2.gz KBSGCTGYQFJQOK-NWDGAFQWSA-N 2 0 342.444 -0.941 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]CC(=O)NCC2CC2)CC1 ZINC001135959030 830051788 /nfs/dbraw/zinc/05/17/88/830051788.db2.gz JPKDRGMZSCMVKA-UHFFFAOYSA-N 2 0 326.441 -0.671 20 0 EBADRP CCn1nnc(C)c1C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135959042 830052138 /nfs/dbraw/zinc/05/21/38/830052138.db2.gz JTIDIDVHCCHAGF-UHFFFAOYSA-N 2 0 338.456 -0.077 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001211286052 837421714 /nfs/dbraw/zinc/42/17/14/837421714.db2.gz SFZIXZPQYWDIMY-NEPJUHHUSA-N 2 0 327.429 -0.509 20 0 EBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)C1C[NH+](C)C1)CC2 ZINC001142593934 830132764 /nfs/dbraw/zinc/13/27/64/830132764.db2.gz QHHLCTXMOCHESH-UHFFFAOYSA-N 2 0 335.408 -0.588 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CCN1CCNC1=O)NC(=O)C[NH+]1CCCC1 ZINC001146396939 830195561 /nfs/dbraw/zinc/19/55/61/830195561.db2.gz CBXYMZHVDKJNBJ-KBPBESRZSA-N 2 0 325.457 -0.020 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)C[NH+]1CCCC1 ZINC001146408397 830196772 /nfs/dbraw/zinc/19/67/72/830196772.db2.gz IQOKJFLHLAAIBO-CHWSQXEVSA-N 2 0 339.440 -0.493 20 0 EBADRP COCCOC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211369951 837432386 /nfs/dbraw/zinc/43/23/86/837432386.db2.gz VPNPEBXHIPVHQE-OWCLPIDISA-N 2 0 345.484 -0.213 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC001146599612 830211876 /nfs/dbraw/zinc/21/18/76/830211876.db2.gz CIWGLYIHEAXJKM-OLZOCXBDSA-N 2 0 336.502 -0.251 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NCC(C)C ZINC001146710725 830222857 /nfs/dbraw/zinc/22/28/57/830222857.db2.gz LYMYJDVRKFJRMQ-CYBMUJFWSA-N 2 0 343.472 -0.096 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001146711153 830223311 /nfs/dbraw/zinc/22/33/11/830223311.db2.gz PLUROYDXSRZHAO-AWEZNQCLSA-N 2 0 331.457 -0.410 20 0 EBADRP C[NH+](C)[C@@](C)(C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O)c1ccccc1 ZINC001147410797 830339166 /nfs/dbraw/zinc/33/91/66/830339166.db2.gz VQOPJBWGKBUPCV-KBXCAEBGSA-N 2 0 346.431 -0.026 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001147573256 830366046 /nfs/dbraw/zinc/36/60/46/830366046.db2.gz ZCMYZBCKPWBPHH-JKSUJKDBSA-N 2 0 337.464 -0.130 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001147833679 830417493 /nfs/dbraw/zinc/41/74/93/830417493.db2.gz AEUMGYPBJVRRJA-HOTGVXAUSA-N 2 0 342.484 -0.035 20 0 EBADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001147834443 830418143 /nfs/dbraw/zinc/41/81/43/830418143.db2.gz JFFWFRDGHZRFBM-CHWSQXEVSA-N 2 0 334.486 -0.638 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F)C1 ZINC001147886313 830426317 /nfs/dbraw/zinc/42/63/17/830426317.db2.gz UDPZPXOQFLIMTM-RYUDHWBXSA-N 2 0 341.374 -0.026 20 0 EBADRP CNC(=O)c1cccc(C[NH2+]CCNC(=O)COCC[NH+](C)C)c1 ZINC001147892481 830427027 /nfs/dbraw/zinc/42/70/27/830427027.db2.gz IPZSLWSFSQDBGX-UHFFFAOYSA-N 2 0 336.436 -0.170 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900264 830428404 /nfs/dbraw/zinc/42/84/04/830428404.db2.gz KYWWBDRMGRTRJG-CYBMUJFWSA-N 2 0 341.456 -0.340 20 0 EBADRP COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977189 830434521 /nfs/dbraw/zinc/43/45/21/830434521.db2.gz MIFOTJREEDTJAQ-ZIAGYGMSSA-N 2 0 329.441 -0.800 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001148056956 830445104 /nfs/dbraw/zinc/44/51/04/830445104.db2.gz BORQYTPGRLRANJ-ZDUSSCGKSA-N 2 0 332.408 -0.275 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148058246 830445158 /nfs/dbraw/zinc/44/51/58/830445158.db2.gz UOSPJHRTQTWXDW-SNVBAGLBSA-N 2 0 336.396 -0.689 20 0 EBADRP CN(CC[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1)S(C)(=O)=O ZINC001148210128 830456857 /nfs/dbraw/zinc/45/68/57/830456857.db2.gz GHWQYQQJTWZDSO-UHFFFAOYSA-N 2 0 346.497 -0.636 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001148577942 830512095 /nfs/dbraw/zinc/51/20/95/830512095.db2.gz KZTXMOKYXPNCAB-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001148578156 830512187 /nfs/dbraw/zinc/51/21/87/830512187.db2.gz PDXKSONIGCQYBA-HZPDHXFCSA-N 2 0 345.484 -0.019 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001148572682 830512704 /nfs/dbraw/zinc/51/27/04/830512704.db2.gz IZBSRGBBYAKMQS-CQSZACIVSA-N 2 0 348.513 -0.294 20 0 EBADRP CNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148604450 830515812 /nfs/dbraw/zinc/51/58/12/830515812.db2.gz FQUYGOQUROIEER-ZDUSSCGKSA-N 2 0 326.441 -0.767 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001148754639 830536873 /nfs/dbraw/zinc/53/68/73/830536873.db2.gz FZWRQEUQMHPXSA-GFCCVEGCSA-N 2 0 337.424 -0.800 20 0 EBADRP C[NH+](C)[C@H](C(=O)NC[C@H]1C[N@H+](CCOCCO)CCCO1)C1CC1 ZINC001149842021 830760656 /nfs/dbraw/zinc/76/06/56/830760656.db2.gz OBKHSQACNHHVQE-HOTGVXAUSA-N 2 0 343.468 -0.457 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149848046 830761905 /nfs/dbraw/zinc/76/19/05/830761905.db2.gz IHVVHPCJFCQIHN-LSDHHAIUSA-N 2 0 343.468 -0.315 20 0 EBADRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCn2cncn2)CCCO1)[NH+](C)C ZINC001149888013 830775669 /nfs/dbraw/zinc/77/56/69/830775669.db2.gz IWQKZIIVAQXILG-HUUCEWRRSA-N 2 0 338.456 -0.175 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1C[N@H+](CCN2CCCC2=O)CCCO1 ZINC001150241517 830847851 /nfs/dbraw/zinc/84/78/51/830847851.db2.gz PBAIOERDMOYEPJ-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](C[C@H](O)COC)CCCO1)[NH+](C)C ZINC001150350778 830870400 /nfs/dbraw/zinc/87/04/00/830870400.db2.gz OHPCEENIWBOSNC-ZNMIVQPWSA-N 2 0 331.457 -0.459 20 0 EBADRP C[NH+](C)CCOCC(=O)NC[C@@H]1C[N@H+](C[C@H]2CCOC2)CCCO1 ZINC001150588615 830940149 /nfs/dbraw/zinc/94/01/49/830940149.db2.gz PTPQKHBKOUWODN-HZPDHXFCSA-N 2 0 343.468 -0.192 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150714273 830968633 /nfs/dbraw/zinc/96/86/33/830968633.db2.gz CFLKYGZAIFLITC-LSDHHAIUSA-N 2 0 329.441 -0.703 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@@H]1C[N@H+](CCOCCO)CCCO1 ZINC001150716244 830970090 /nfs/dbraw/zinc/97/00/90/830970090.db2.gz PLOZXALMRYYTQO-OAHLLOKOSA-N 2 0 329.441 -0.702 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](CCCO)CCCO1 ZINC001150725005 830972143 /nfs/dbraw/zinc/97/21/43/830972143.db2.gz SUDZLVDLVQMBKQ-HZPDHXFCSA-N 2 0 343.468 -0.456 20 0 EBADRP CN(C(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1)c1nccs1 ZINC001151065146 831019973 /nfs/dbraw/zinc/01/99/73/831019973.db2.gz HHGURMOWFSFERZ-NSHDSACASA-N 2 0 325.438 -0.237 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001151157064 831033905 /nfs/dbraw/zinc/03/39/05/831033905.db2.gz JRZLGAXBTIRGTB-AWEZNQCLSA-N 2 0 326.441 -0.717 20 0 EBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151159968 831036008 /nfs/dbraw/zinc/03/60/08/831036008.db2.gz VSTMKEDJWSFARM-AWEZNQCLSA-N 2 0 328.457 -0.567 20 0 EBADRP COc1nccc(C[NH2+]CCNC(=O)[C@H](C)C[NH+]2CCOCC2)n1 ZINC001151159861 831037574 /nfs/dbraw/zinc/03/75/74/831037574.db2.gz UTEOWHGMLYGGOY-CYBMUJFWSA-N 2 0 337.424 -0.341 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCNC(=O)CCC[NH+]1CCCCC1 ZINC001151362429 831060850 /nfs/dbraw/zinc/06/08/50/831060850.db2.gz UAZXCKLVLJLXIJ-UHFFFAOYSA-N 2 0 334.486 -0.493 20 0 EBADRP CN1C(=O)CN(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1=O ZINC001151536686 831086946 /nfs/dbraw/zinc/08/69/46/831086946.db2.gz VPHOOMJNOGJWRY-CHWSQXEVSA-N 2 0 339.440 -0.922 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001152145614 831133992 /nfs/dbraw/zinc/13/39/92/831133992.db2.gz CMTNGOHHBIJMLC-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP O=C(CCC[NH+]1CCCC1)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001152223192 831143272 /nfs/dbraw/zinc/14/32/72/831143272.db2.gz ITQANQCXMNFEML-UHFFFAOYSA-N 2 0 326.441 -0.573 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152237830 831144527 /nfs/dbraw/zinc/14/45/27/831144527.db2.gz XORWPRPUWPXACX-GFCCVEGCSA-N 2 0 327.429 -0.588 20 0 EBADRP O=C(CC[NH+]1CCCCC1)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001152348958 831154208 /nfs/dbraw/zinc/15/42/08/831154208.db2.gz UEAXNXNXFJZFHH-OAHLLOKOSA-N 2 0 340.468 -0.279 20 0 EBADRP CN(CC[NH2+]CCNC(=O)CC[NH+]1CCCCC1)S(C)(=O)=O ZINC001152340333 831154469 /nfs/dbraw/zinc/15/44/69/831154469.db2.gz MAERLWAMOVVVPZ-UHFFFAOYSA-N 2 0 334.486 -0.540 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001152445875 831163927 /nfs/dbraw/zinc/16/39/27/831163927.db2.gz QCHBFGDDPRGJAR-AWEZNQCLSA-N 2 0 328.457 -0.281 20 0 EBADRP CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152445645 831164116 /nfs/dbraw/zinc/16/41/16/831164116.db2.gz LKUWYQPGXQXTNR-UHFFFAOYSA-N 2 0 330.473 -0.036 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001152451616 831164171 /nfs/dbraw/zinc/16/41/71/831164171.db2.gz ATOGROPPWDHCAS-CQSZACIVSA-N 2 0 346.497 -0.398 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001152458592 831165497 /nfs/dbraw/zinc/16/54/97/831165497.db2.gz RGAOGPOYCCDNPT-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[C@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)[NH+]1CCCC1 ZINC001152473092 831166952 /nfs/dbraw/zinc/16/69/52/831166952.db2.gz VPEKXCVKHGUTOL-CQSZACIVSA-N 2 0 348.513 -0.296 20 0 EBADRP O=C(CCCC[NH+]1CCCC1)NCC[NH2+]CCN1CCNC1=O ZINC001153314317 831222281 /nfs/dbraw/zinc/22/22/81/831222281.db2.gz IJOFSMYSQXAZEE-UHFFFAOYSA-N 2 0 325.457 -0.017 20 0 EBADRP CC[N@H+](C[C@H](O)COC)[C@H](C)CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001154836551 831366268 /nfs/dbraw/zinc/36/62/68/831366268.db2.gz DWEWMUUZMVMUIH-OWCLPIDISA-N 2 0 345.484 -0.071 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001155791241 831430101 /nfs/dbraw/zinc/43/01/01/831430101.db2.gz UCYADQBQUQPOLM-ZDUSSCGKSA-N 2 0 332.470 -0.788 20 0 EBADRP Cn1ccc(N2CC[C@@H]([NH2+]CCCNC(=O)[C@@H]3CCC[N@@H+]3C)C2=O)n1 ZINC001155813683 831432582 /nfs/dbraw/zinc/43/25/82/831432582.db2.gz TWDPBEBOJWLXMD-KGLIPLIRSA-N 2 0 348.451 -0.285 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001155814762 831433209 /nfs/dbraw/zinc/43/32/09/831433209.db2.gz ZQDAUGFCRCDGLF-GFCCVEGCSA-N 2 0 341.456 -0.199 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155822155 831433307 /nfs/dbraw/zinc/43/33/07/831433307.db2.gz JXTOAEXBDVUALF-KBPBESRZSA-N 2 0 328.457 -0.282 20 0 EBADRP [NH3+]Cc1cc(N([C@@H]2CC[NH2+]C2)S(=O)(=O)c2ccccn2)ncn1 ZINC001157097169 831533964 /nfs/dbraw/zinc/53/39/64/831533964.db2.gz YYWDRIVYRZDJOB-GFCCVEGCSA-N 2 0 334.405 -0.113 20 0 EBADRP [NH2+]=C(NCCCC[NH3+])Nc1nc(N2CCOCC2)nc2c1CCN2 ZINC001157093938 831534082 /nfs/dbraw/zinc/53/40/82/831534082.db2.gz KGIJVOPBFLSLOB-UHFFFAOYSA-N 2 0 334.428 -0.044 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)[C@H]1C[NH2+]CC[C@@H]1O)C(=O)N1CCCC1 ZINC001157369877 831561046 /nfs/dbraw/zinc/56/10/46/831561046.db2.gz YYKDCPHEPYSUMR-IHRRRGAJSA-N 2 0 326.441 -0.807 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)C1=NO[C@@H]2C[NH2+]C[C@H]12)C(=O)N1CCCC1 ZINC001157370672 831561358 /nfs/dbraw/zinc/56/13/58/831561358.db2.gz FRFIRUCECURJNW-RWMBFGLXSA-N 2 0 337.424 -0.803 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)[C@@H]1C[NH2+]CC[C@@H]1O)C(=O)N1CCCC1 ZINC001157369879 831561426 /nfs/dbraw/zinc/56/14/26/831561426.db2.gz YYKDCPHEPYSUMR-RDBSUJKOSA-N 2 0 326.441 -0.807 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])C(=O)N1CCCC1 ZINC001157379358 831563633 /nfs/dbraw/zinc/56/36/33/831563633.db2.gz LPJODOZUXXJINJ-STQMWFEESA-N 3 0 345.513 -0.758 20 0 EBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCn2nc(C(F)(F)F)nc2C1 ZINC001157521675 831575145 /nfs/dbraw/zinc/57/51/45/831575145.db2.gz IISFBDDCLGXAAX-MRVPVSSYSA-N 2 0 330.314 -0.552 20 0 EBADRP [NH3+][C@@H](C(=O)N1CCn2nc(C(F)(F)F)nc2C1)C1CC[NH2+]CC1 ZINC001157521993 831576398 /nfs/dbraw/zinc/57/63/98/831576398.db2.gz NLKJEDZPUBLYDN-SNVBAGLBSA-N 2 0 332.330 -0.034 20 0 EBADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@H]([NH3+])Cc1cn(C=O)c2ccccc12 ZINC001157716412 831587323 /nfs/dbraw/zinc/58/73/23/831587323.db2.gz MXMOYYVJZUWWFI-GDBMZVCRSA-N 2 0 344.415 -0.004 20 0 EBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H]([NH3+])C1CCC2(CC1)OCCO2 ZINC001157720449 831588179 /nfs/dbraw/zinc/58/81/79/831588179.db2.gz JGEQXTSPNVGVTA-UONOGXRCSA-N 2 0 327.425 -0.306 20 0 EBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCN(c2nccnc2Cl)CC1 ZINC001157873844 831601317 /nfs/dbraw/zinc/60/13/17/831601317.db2.gz KIFSAXODAMCBQF-LLVKDONJSA-N 2 0 336.827 -0.412 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158037796 831622065 /nfs/dbraw/zinc/62/20/65/831622065.db2.gz LJTRYRJIHORDHW-QWHCGFSZSA-N 2 0 339.440 -0.588 20 0 EBADRP [NH3+][C@H](C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2)C1Cc2ccccc2C1 ZINC001158094052 831626875 /nfs/dbraw/zinc/62/68/75/831626875.db2.gz ZYONJFSQZGCGAL-WMZOPIPTSA-N 2 0 328.416 -0.581 20 0 EBADRP O=C(c1cc2c(s1)C[NH2+]CC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120077 831629981 /nfs/dbraw/zinc/62/99/81/831629981.db2.gz KYENYTFUEVUXTA-KRWDZBQOSA-N 2 0 346.456 -0.055 20 0 EBADRP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158121719 831631089 /nfs/dbraw/zinc/63/10/89/831631089.db2.gz WOKAIMPKHNADEB-DNVCBOLYSA-N 2 0 340.427 -0.361 20 0 EBADRP O=C(N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)[C@@]12CCCO[C@@H]1CC[NH2+]C2 ZINC001158121476 831631178 /nfs/dbraw/zinc/63/11/78/831631178.db2.gz UUJQDDITVOWFOE-XWIAVFTESA-N 2 0 348.447 -0.917 20 0 EBADRP O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCC[C@]12CCC[NH2+]C2 ZINC001158162049 831632821 /nfs/dbraw/zinc/63/28/21/831632821.db2.gz TVJJSHBDRHUPOH-OCCSQVGLSA-N 2 0 327.450 -0.492 20 0 EBADRP O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158162050 831633299 /nfs/dbraw/zinc/63/32/99/831633299.db2.gz TVJJSHBDRHUPOH-TZMCWYRMSA-N 2 0 327.450 -0.492 20 0 EBADRP CS(=O)(=O)CCC[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158202407 831638678 /nfs/dbraw/zinc/63/86/78/831638678.db2.gz SVXUNGRURYYKFM-AWEZNQCLSA-N 2 0 331.482 -0.141 20 0 EBADRP NC(=O)NCCC[C@H]([NH3+])C(=O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158326928 831647130 /nfs/dbraw/zinc/64/71/30/831647130.db2.gz ASBJBNZMIJYFFV-SOUVJXGZSA-N 2 0 331.420 -0.140 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158421800 831653991 /nfs/dbraw/zinc/65/39/91/831653991.db2.gz GFUWXPOMNFCSID-LJISPDSOSA-N 3 0 337.468 -0.604 20 0 EBADRP CCOC(=O)c1nc2n(n1)CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001158430213 831654631 /nfs/dbraw/zinc/65/46/31/831654631.db2.gz FIWJQBLXJPILGL-NSHDSACASA-N 2 0 338.412 -0.357 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)CC[N@@H+]1C ZINC001158428325 831655067 /nfs/dbraw/zinc/65/50/67/831655067.db2.gz DHYMLVWMTKUMGL-HZSPNIEDSA-N 2 0 331.482 -0.143 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@]1(C)CC[NH2+]C[C@H]1O ZINC001158496294 831660799 /nfs/dbraw/zinc/66/07/99/831660799.db2.gz MDWWTLCYEUGDJJ-WKIHFJMMSA-N 2 0 325.409 -0.901 20 0 EBADRP CCn1cc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)nn1 ZINC001158507030 831661975 /nfs/dbraw/zinc/66/19/75/831661975.db2.gz OJYMDJMTTAJCTC-LSDHHAIUSA-N 2 0 336.440 -0.243 20 0 EBADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158533525 831663014 /nfs/dbraw/zinc/66/30/14/831663014.db2.gz NHLPFOTWJPINGH-ATNYBXOESA-N 3 0 334.464 -0.160 20 0 EBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158545617 831664274 /nfs/dbraw/zinc/66/42/74/831664274.db2.gz HMKLYTVDLHQKHB-QDEZUTFSSA-N 2 0 338.452 -0.545 20 0 EBADRP [NH3+]C1([C@@H]2CN(C(=O)[C@H]3CNC(=O)C34CC[NH2+]CC4)C[C@H]2CF)CC1 ZINC001158569368 831667041 /nfs/dbraw/zinc/66/70/41/831667041.db2.gz YSTXELJDFGMSDS-JHJVBQTASA-N 2 0 338.427 -0.362 20 0 EBADRP [NH3+][C@H]1CCCCN(CC(=O)N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)C1=O ZINC001158577299 831667096 /nfs/dbraw/zinc/66/70/96/831667096.db2.gz HDBYUIWPVCSGCT-UPJWGTAASA-N 2 0 326.416 -0.138 20 0 EBADRP [NH3+][C@@H]1CN[C@H](C(=O)N(Cc2noc3c2C[NH2+]CC3)c2ncccn2)C1 ZINC001158657365 831675171 /nfs/dbraw/zinc/67/51/71/831675171.db2.gz CRGDARYRRITFBK-JQWIXIFHSA-N 2 0 343.391 -0.667 20 0 EBADRP O=C([C@H]1[NH2+]CC[C@H]1O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158657796 831675677 /nfs/dbraw/zinc/67/56/77/831675677.db2.gz GHFWRNHJDNMWAL-OCCSQVGLSA-N 2 0 344.375 -0.634 20 0 EBADRP [NH3+]C[C@@H](O)CC(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158659638 831676312 /nfs/dbraw/zinc/67/63/12/831676312.db2.gz PXDSLUDBNOYDHF-JTQLQIEISA-N 2 0 332.364 -0.647 20 0 EBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)C1CC[NH2+]CC1 ZINC001158734836 831681878 /nfs/dbraw/zinc/68/18/78/831681878.db2.gz GGPBKRDVLUGSPA-UHFFFAOYSA-N 2 0 342.421 -0.392 20 0 EBADRP [NH3+][C@@H]1CN[C@H](C(=O)N(c2ncccc2F)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)C1 ZINC001158903629 831694760 /nfs/dbraw/zinc/69/47/60/831694760.db2.gz NZGLBGQGISJKDL-IFOZYUSPSA-N 2 0 349.410 -0.236 20 0 EBADRP COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@@H]1CC[NH2+]1 ZINC001159078100 831706049 /nfs/dbraw/zinc/70/60/49/831706049.db2.gz UPRHAROOIKILMP-XEZPLFJOSA-N 2 0 325.409 -0.397 20 0 EBADRP Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)C1([NH3+])CC1)CC2 ZINC001159074711 831706617 /nfs/dbraw/zinc/70/66/17/831706617.db2.gz JFJHICFYSFIYFN-UHFFFAOYSA-N 2 0 346.435 -0.816 20 0 EBADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)C1 ZINC001159132606 831711412 /nfs/dbraw/zinc/71/14/12/831711412.db2.gz BPKIABKESYITSP-OCCSQVGLSA-N 2 0 331.424 -0.304 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001159155998 831712513 /nfs/dbraw/zinc/71/25/13/831712513.db2.gz ZOOTYAUZCMGRDL-VXGBXAGGSA-N 2 0 347.435 -0.394 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001159155640 831712862 /nfs/dbraw/zinc/71/28/62/831712862.db2.gz RWRFMZLGMWZNKO-CQSZACIVSA-N 2 0 346.447 -0.379 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001159155185 831712953 /nfs/dbraw/zinc/71/29/53/831712953.db2.gz KYNOTULXVNKDOB-GFCCVEGCSA-N 2 0 325.450 -0.193 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O ZINC001159335396 831740877 /nfs/dbraw/zinc/74/08/77/831740877.db2.gz ZVMZHDNMWFTFRU-AWEZNQCLSA-N 2 0 348.513 -0.152 20 0 EBADRP C[C@@H](C[NH3+])C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001159610348 831767031 /nfs/dbraw/zinc/76/70/31/831767031.db2.gz OLNCYDOHHQMKCY-AWEZNQCLSA-N 2 0 339.484 -0.722 20 0 EBADRP O=C(NCCC[NH2+][C@@H]1CCNC1=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001159868823 831791316 /nfs/dbraw/zinc/79/13/16/831791316.db2.gz MNPJBYLRMVPFSD-HUUCEWRRSA-N 2 0 338.452 -0.386 20 0 EBADRP [NH3+]CCC[NH2+]CC(=O)N1CCO[C@]2(CCCN(c3cnccn3)C2)C1 ZINC001159885665 831793402 /nfs/dbraw/zinc/79/34/02/831793402.db2.gz HSSSALGEXUZCJO-KRWDZBQOSA-N 2 0 348.451 -0.387 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]Cc1nnc2n1CCOC2)C1CC1 ZINC001159917542 831796560 /nfs/dbraw/zinc/79/65/60/831796560.db2.gz ZBZBPBHVXHAWJD-OAHLLOKOSA-N 2 0 336.440 -0.256 20 0 EBADRP COC[C@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159997311 831803005 /nfs/dbraw/zinc/80/30/05/831803005.db2.gz LLKKYYMBPMNTKW-HOCLYGCPSA-N 2 0 345.484 -0.021 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N(Cc1cn2c(n1)CNCC2)c1ccccn1 ZINC001160057092 831810381 /nfs/dbraw/zinc/81/03/81/831810381.db2.gz FXIAUPSTFMXNSW-AWEZNQCLSA-N 2 0 343.435 -0.019 20 0 EBADRP [NH3+]C[C@H](O)CC(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160129588 831817164 /nfs/dbraw/zinc/81/71/64/831817164.db2.gz XVLYSTCBDGDRBU-CFAJVAMVSA-N 2 0 334.420 -0.109 20 0 EBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160139246 831818330 /nfs/dbraw/zinc/81/83/30/831818330.db2.gz XGJKFBKHUIYWRG-JGFGOLAASA-N 2 0 345.447 -0.272 20 0 EBADRP O=C([C@@H]1C[NH2+]C[C@H]1O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160138783 831819099 /nfs/dbraw/zinc/81/90/99/831819099.db2.gz QMUGKVSISHWUSH-GHYKFQNRSA-N 2 0 346.431 -0.238 20 0 EBADRP Cn1cc(N2C[C@@H]3CN(C(=O)[C@@H]([NH3+])C4CC[NH2+]CC4)C[C@@H]3C2=O)cn1 ZINC001160216157 831826544 /nfs/dbraw/zinc/82/65/44/831826544.db2.gz AOSGSAKUGNBDKG-QEJZJMRPSA-N 2 0 346.435 -0.832 20 0 EBADRP CC(C)N(C)Cc1nnc2n1CCCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C2 ZINC001160381887 831842640 /nfs/dbraw/zinc/84/26/40/831842640.db2.gz GUKQRMJEYRNFGY-ZDUSSCGKSA-N 2 0 337.472 -0.083 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 ZINC001160414832 831846094 /nfs/dbraw/zinc/84/60/94/831846094.db2.gz DJVGUUCTRXTALG-YOEHRIQHSA-N 2 0 346.435 -0.112 20 0 EBADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1)[NH+](C)C ZINC001160428271 831847879 /nfs/dbraw/zinc/84/78/79/831847879.db2.gz YJFSXIYNRQQUSW-ZBFHGGJFSA-N 2 0 342.484 -0.179 20 0 EBADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1)[NH+](C)C ZINC001160426648 831848981 /nfs/dbraw/zinc/84/89/81/831848981.db2.gz IKCOKSBPKXYRRX-HOCLYGCPSA-N 2 0 342.484 -0.036 20 0 EBADRP COCCN(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])C1CC[NH+](C)CC1 ZINC001160439840 831851884 /nfs/dbraw/zinc/85/18/84/831851884.db2.gz ODNOBKVLXJQHTJ-AWEZNQCLSA-N 2 0 326.441 -0.495 20 0 EBADRP O=C(N1CCN(CCc2ccncc2)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160489855 831855949 /nfs/dbraw/zinc/85/59/49/831855949.db2.gz GJYGLZBLJQPRAV-IEBWSBKVSA-N 2 0 343.475 -0.033 20 0 EBADRP COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001160493238 831856906 /nfs/dbraw/zinc/85/69/06/831856906.db2.gz LXANSHMPQHGIEP-NHCYSSNCSA-N 2 0 347.437 -0.551 20 0 EBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160588411 831867417 /nfs/dbraw/zinc/86/74/17/831867417.db2.gz BVSDFMLVPTYUEP-STQMWFEESA-N 2 0 329.404 -0.611 20 0 EBADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001160698833 831878453 /nfs/dbraw/zinc/87/84/53/831878453.db2.gz SJHDEEIAAQYZJO-STQMWFEESA-N 2 0 328.457 -0.297 20 0 EBADRP O=C([C@H]1COC2(C[NH2+]C2)CN1)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160780727 831886044 /nfs/dbraw/zinc/88/60/44/831886044.db2.gz UQSIJSWJUSFKIL-MDZRGWNJSA-N 2 0 342.443 -0.684 20 0 EBADRP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160780461 831886096 /nfs/dbraw/zinc/88/60/96/831886096.db2.gz RYSMPKNLAAOWLO-BJZZIADLSA-N 2 0 326.444 -0.064 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)[C@H]3CCC4(C[NH2+]C4)O3)C[C@H]1C[NH2+]CC2 ZINC001160811180 831889302 /nfs/dbraw/zinc/88/93/02/831889302.db2.gz MLEFTRZERVMYOT-PBFPGSCMSA-N 2 0 337.420 -0.491 20 0 EBADRP CCOC(=O)c1cnc2n1CCN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)CC2 ZINC001160806120 831889587 /nfs/dbraw/zinc/88/95/87/831889587.db2.gz LTYLIAHCDKVWQQ-HNNXBMFYSA-N 2 0 349.435 -0.229 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]3CC[NH2+]C[C@H]3F)C[C@H]1C[NH2+]CC2 ZINC001160814311 831890027 /nfs/dbraw/zinc/89/00/27/831890027.db2.gz YUBQZKBZQOGTDL-BRXULGCHSA-N 2 0 327.400 -0.065 20 0 EBADRP CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160823488 831891030 /nfs/dbraw/zinc/89/10/30/831891030.db2.gz HGJRTNXIZKQEON-AAEUAGOBSA-N 2 0 333.392 -0.792 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001160867841 831901344 /nfs/dbraw/zinc/90/13/44/831901344.db2.gz ISDKENJCOZKWQX-RYUDHWBXSA-N 2 0 325.413 -0.706 20 0 EBADRP COC(=O)c1cn2c(n1)CN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)[NH2+]1)CC2 ZINC001160901124 831904672 /nfs/dbraw/zinc/90/46/72/831904672.db2.gz AITDZJJYIDPWCV-LBPRGKRZSA-N 2 0 347.419 -0.114 20 0 EBADRP O=C(c1ccncc1)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001160937283 831908265 /nfs/dbraw/zinc/90/82/65/831908265.db2.gz VTYLWDLTKMNKNU-CRAIPNDOSA-N 2 0 343.431 -0.435 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)[C@H]2Cn3cnnc3C23CC[NH2+]CC3)CC(F)(F)C1 ZINC001160968654 831910848 /nfs/dbraw/zinc/91/08/48/831910848.db2.gz UEEBEAIQVOWABC-WDEREUQCSA-N 2 0 340.378 -0.276 20 0 EBADRP O=C([C@@H]1CCCCN1[C@H]1CC[NH2+]C1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161010112 831913751 /nfs/dbraw/zinc/91/37/51/831913751.db2.gz ZCNMUZDKVBUBGQ-HRCADAONSA-N 2 0 336.480 -0.082 20 0 EBADRP C[C@@H]1CN(C(=O)c2cnn3c2nccc3[C@@H]2C[NH2+]CCO2)CC[NH2+]1 ZINC001161026726 831915257 /nfs/dbraw/zinc/91/52/57/831915257.db2.gz XILDVCNLMLGVKC-RISCZKNCSA-N 2 0 330.392 -0.176 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001161052038 831917974 /nfs/dbraw/zinc/91/79/74/831917974.db2.gz GVUANBKCUPZRRR-LSDHHAIUSA-N 2 0 340.468 -0.281 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001161052035 831918153 /nfs/dbraw/zinc/91/81/53/831918153.db2.gz GVUANBKCUPZRRR-GJZGRUSLSA-N 2 0 340.468 -0.281 20 0 EBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]([NH3+])CCCCNC(C)=O ZINC001161158662 831933926 /nfs/dbraw/zinc/93/39/26/831933926.db2.gz LDIXGOGDBHRXGL-ZDUSSCGKSA-N 2 0 330.429 -0.639 20 0 EBADRP Cc1cccc(N(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C2CC[NH2+]CC2)n1 ZINC001161302250 831946294 /nfs/dbraw/zinc/94/62/94/831946294.db2.gz JBYJOUGVBHXXHK-JSGCOSHPSA-N 2 0 349.435 -0.701 20 0 EBADRP COc1cc(C)nc(N(C(=O)[C@H]2C[NH2+]CCN2)C2CC[NH2+]CC2)n1 ZINC001161309498 831947308 /nfs/dbraw/zinc/94/73/08/831947308.db2.gz RCRGNDNFRWIDLX-CYBMUJFWSA-N 2 0 334.424 -0.560 20 0 EBADRP CC(C)N(C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1)[C@H]1CC[NH2+]C1 ZINC001161352397 831950681 /nfs/dbraw/zinc/95/06/81/831950681.db2.gz VVNQKOQKQQVKNX-KBPBESRZSA-N 2 0 348.451 -0.087 20 0 EBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161381262 831951770 /nfs/dbraw/zinc/95/17/70/831951770.db2.gz WYCYDNCWEUWIHH-CABCVRRESA-N 2 0 339.484 -0.500 20 0 EBADRP COc1ccnc(N(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C2CC[NH2+]CC2)c1 ZINC001161386593 831952332 /nfs/dbraw/zinc/95/23/32/831952332.db2.gz SHZDQHWMSGDBLB-HNNXBMFYSA-N 3 0 345.447 -0.016 20 0 EBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3Cn4nnnc4C34CC[NH2+]CC4)C[C@@H]12 ZINC001161414364 831955828 /nfs/dbraw/zinc/95/58/28/831955828.db2.gz VTQQLBPKIRATPX-FDYHWXHSSA-N 2 0 331.424 -0.880 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161414455 831955977 /nfs/dbraw/zinc/95/59/77/831955977.db2.gz WZNYTQWYDZMZNK-FPCVCCKLSA-N 2 0 330.432 -0.132 20 0 EBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161449169 831958660 /nfs/dbraw/zinc/95/86/60/831958660.db2.gz KQNVNMUKXUVGCD-HOTGVXAUSA-N 3 0 341.500 -0.238 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@@]2(C(=O)OC)CC[NH2+][C@H]2C1 ZINC001161476261 831962034 /nfs/dbraw/zinc/96/20/34/831962034.db2.gz CDLDFUNODSBWRM-XEZPLFJOSA-N 3 0 326.441 -0.543 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CN(c2ccccc2)C3)CC12COC2 ZINC001161511130 831967733 /nfs/dbraw/zinc/96/77/33/831967733.db2.gz WUQTXYROCQWVDH-ZSZQSSIHSA-N 2 0 342.443 -0.102 20 0 EBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCn2ncc(Br)c2C1 ZINC001161523876 831969151 /nfs/dbraw/zinc/96/91/51/831969151.db2.gz RPQHPCQKYFGFAU-VIFPVBQESA-N 2 0 340.225 -0.203 20 0 EBADRP COc1cc2c(cn1)CCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001161527568 831969195 /nfs/dbraw/zinc/96/91/95/831969195.db2.gz RBUJVKGHULWIPA-HNNXBMFYSA-N 2 0 333.436 -0.275 20 0 EBADRP CCOC(=O)c1c2c(nn1C)CN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001161602259 831977199 /nfs/dbraw/zinc/97/71/99/831977199.db2.gz VOPHUJFJQKQDLS-CYBMUJFWSA-N 2 0 335.408 -0.234 20 0 EBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001161601504 831977351 /nfs/dbraw/zinc/97/73/51/831977351.db2.gz HBOKYQORCJQAKN-MELADBBJSA-N 2 0 326.416 -0.933 20 0 EBADRP C[C@H](C(N)=O)[N@H+]1CC=C(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001161699244 831983820 /nfs/dbraw/zinc/98/38/20/831983820.db2.gz PIDAYOKQAYAEPC-CYBMUJFWSA-N 2 0 326.441 -0.423 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001161863271 831997590 /nfs/dbraw/zinc/99/75/90/831997590.db2.gz HFRBZWCZMWNGFY-UHFFFAOYSA-N 2 0 332.364 -0.501 20 0 EBADRP CNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C)(COC)CC1 ZINC001162171387 832023319 /nfs/dbraw/zinc/02/33/19/832023319.db2.gz QCCISFIVFUSISK-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP [NH3+]CCCC[NH2+]CCCNc1nc(N2CCOCC2)nc2c1CCN2 ZINC001162290549 832031896 /nfs/dbraw/zinc/03/18/96/832031896.db2.gz ZKIAQJQECKOARI-UHFFFAOYSA-N 2 0 349.483 -0.400 20 0 EBADRP O=C(NCCC[NH2+][C@@H]1CCC(=O)NC1=O)c1ccc2c[nH+]cn2c1 ZINC001162617563 832057233 /nfs/dbraw/zinc/05/72/33/832057233.db2.gz MOGYGCIJTCWOKK-CYBMUJFWSA-N 2 0 329.360 -0.151 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C(=O)N(C)C ZINC001162872619 832069660 /nfs/dbraw/zinc/06/96/60/832069660.db2.gz YKKQFDFNPVLSGG-SMOJQAGNSA-N 2 0 338.452 -0.578 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C(=O)N(C)C ZINC001162872621 832069799 /nfs/dbraw/zinc/06/97/99/832069799.db2.gz YKKQFDFNPVLSGG-ZBUZPQQSSA-N 2 0 338.452 -0.578 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1)C(=O)NC(N)=O ZINC001163242930 832093349 /nfs/dbraw/zinc/09/33/49/832093349.db2.gz PFYGZXXZPUYWGR-YPMHNXCESA-N 2 0 339.440 -0.460 20 0 EBADRP C[NH+](C)CCc1ccccc1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001163248098 832093514 /nfs/dbraw/zinc/09/35/14/832093514.db2.gz MLUTXJQFOWQAKC-UHFFFAOYSA-N 2 0 349.435 -0.305 20 0 EBADRP CCN1CCO[C@@H](C(=O)NCCCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001350127136 832119201 /nfs/dbraw/zinc/11/92/01/832119201.db2.gz RXNYAWKSQIOYMK-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP CCN1CCO[C@H](C(=O)NCCCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001350127154 832119264 /nfs/dbraw/zinc/11/92/64/832119264.db2.gz SPRGFUWHXPXLND-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP Cn1[nH]c(C[NH2+]CC2(CCNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)nc1=O ZINC001163822134 832142698 /nfs/dbraw/zinc/14/26/98/832142698.db2.gz SSEWOWDGUJRNBF-LBPRGKRZSA-N 2 0 336.440 -0.421 20 0 EBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001350341574 832156340 /nfs/dbraw/zinc/15/63/40/832156340.db2.gz KEYDSLMDYZLJRP-KGLIPLIRSA-N 2 0 328.457 -0.473 20 0 EBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC001350341575 832156524 /nfs/dbraw/zinc/15/65/24/832156524.db2.gz KEYDSLMDYZLJRP-UONOGXRCSA-N 2 0 328.457 -0.473 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC001350353480 832159044 /nfs/dbraw/zinc/15/90/44/832159044.db2.gz HSPRDTXBNYOSHR-SOUVJXGZSA-N 2 0 339.484 -0.805 20 0 EBADRP CN(c1ccc([C@@H]2CC3(C[NH2+]C3)C(=O)N2)cc1)S(=O)(=O)CC[NH3+] ZINC001164296715 832182907 /nfs/dbraw/zinc/18/29/07/832182907.db2.gz MPCZDFVUKYZSMR-ZDUSSCGKSA-N 2 0 338.433 -0.438 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]Cc3nnnn3C)CC2)CC[N@@H+]1C ZINC001164578802 832199325 /nfs/dbraw/zinc/19/93/25/832199325.db2.gz SIJFGTUIEJTIHB-CHWSQXEVSA-N 2 0 335.456 -0.074 20 0 EBADRP CN(CC[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1)S(C)(=O)=O ZINC001165253523 832208927 /nfs/dbraw/zinc/20/89/27/832208927.db2.gz ICQHCYHSKREDSN-UHFFFAOYSA-N 2 0 334.486 -0.685 20 0 EBADRP c1cc(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)nnc1N1CC[NH2+]CC1 ZINC001165345384 832216190 /nfs/dbraw/zinc/21/61/90/832216190.db2.gz XMBBXYDWGRHLSG-KRWDZBQOSA-N 2 0 348.451 -0.529 20 0 EBADRP C[NH+](C)CCCC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001165366667 832217779 /nfs/dbraw/zinc/21/77/79/832217779.db2.gz CXTUNODKIXXOLH-AWEZNQCLSA-N 2 0 328.457 -0.281 20 0 EBADRP C[NH+](C)C1(C(=O)NCCC2(C[NH2+]CC(=O)NC(N)=O)CC2)CCC1 ZINC001165465234 832220805 /nfs/dbraw/zinc/22/08/05/832220805.db2.gz YWVKTUQNHSJFLF-UHFFFAOYSA-N 2 0 339.440 -0.458 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165771812 832236703 /nfs/dbraw/zinc/23/67/03/832236703.db2.gz ARWDGIYLHOIJFP-GFCCVEGCSA-N 2 0 341.456 -0.342 20 0 EBADRP C[NH+](C)CCC(=O)NCCC[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC001165781117 832237386 /nfs/dbraw/zinc/23/73/86/832237386.db2.gz GTDOLFGCLGAOIC-CQSZACIVSA-N 2 0 338.456 -0.138 20 0 EBADRP C[NH+](C)CCC(=O)NCCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001165788367 832237427 /nfs/dbraw/zinc/23/74/27/832237427.db2.gz HNXJMNPAJBGWHZ-LSDHHAIUSA-N 2 0 331.457 -0.410 20 0 EBADRP C[NH+]1CCC(C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCOC2)CC1 ZINC001165777826 832237736 /nfs/dbraw/zinc/23/77/36/832237736.db2.gz ZFARNYGFSLGSSB-CQSZACIVSA-N 2 0 340.468 -0.423 20 0 EBADRP Cn1ncc2c1nc(C[NH2+]CCCNC(=O)CC[NH+](C)C)[nH]c2=O ZINC001165794212 832237960 /nfs/dbraw/zinc/23/79/60/832237960.db2.gz MUBWIOUJWOPQJS-UHFFFAOYSA-N 2 0 335.412 -0.384 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)CC[NH+](C)C)C(=O)NC(=O)NC1CC1 ZINC001165789179 832238266 /nfs/dbraw/zinc/23/82/66/832238266.db2.gz YMHRKGSAOGJQIG-NSHDSACASA-N 2 0 327.429 -0.589 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)CC[NH+](C)C)C(=O)NC(=O)NC1CC1 ZINC001165789177 832238383 /nfs/dbraw/zinc/23/83/83/832238383.db2.gz YMHRKGSAOGJQIG-LLVKDONJSA-N 2 0 327.429 -0.589 20 0 EBADRP CC(C)[C@H](C(=O)NCCC[NH2+]C[C@@H](O)Cn1cccn1)[NH+](C)C ZINC001166010914 832246114 /nfs/dbraw/zinc/24/61/14/832246114.db2.gz VIMFORYGMSXXRI-HUUCEWRRSA-N 2 0 325.457 -0.074 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166010652 832246203 /nfs/dbraw/zinc/24/62/03/832246203.db2.gz RLNIGHDOSSLDBM-CYBMUJFWSA-N 2 0 336.502 -0.392 20 0 EBADRP [NH3+]CCCCNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001351540357 832248815 /nfs/dbraw/zinc/24/88/15/832248815.db2.gz YZGYJXDPTRXHJB-OLZOCXBDSA-N 2 0 325.413 -0.308 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O ZINC001166627175 832274389 /nfs/dbraw/zinc/27/43/89/832274389.db2.gz RMMCOCVFDLVLJG-CYBMUJFWSA-N 2 0 334.486 -0.542 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001166627014 832274592 /nfs/dbraw/zinc/27/45/92/832274592.db2.gz NZEAYLCONGWWKV-AWEZNQCLSA-N 2 0 328.457 -0.281 20 0 EBADRP COCC[NH2+]Cc1ccn(Cc2cn(C[C@H]3C[NH2+]CCO3)nn2)n1 ZINC001351755979 832277035 /nfs/dbraw/zinc/27/70/35/832277035.db2.gz LDJLATYVYRJXTJ-OAHLLOKOSA-N 2 0 335.412 -0.753 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001166667762 832277255 /nfs/dbraw/zinc/27/72/55/832277255.db2.gz HXEDZWPADRDXDL-ZDUSSCGKSA-N 2 0 336.440 -0.254 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166668106 832277283 /nfs/dbraw/zinc/27/72/83/832277283.db2.gz RAWARDXSWLOJIW-LBPRGKRZSA-N 2 0 327.429 -0.730 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001166668055 832277587 /nfs/dbraw/zinc/27/75/87/832277587.db2.gz PSCLPSLBYGMPAI-CQSZACIVSA-N 2 0 340.468 -0.281 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001166678575 832280042 /nfs/dbraw/zinc/28/00/42/832280042.db2.gz WNBQHAYVEGXKFT-KGLIPLIRSA-N 2 0 331.482 -0.141 20 0 EBADRP COCCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001166708379 832282550 /nfs/dbraw/zinc/28/25/50/832282550.db2.gz PKSHNGWRPAZVPA-UONOGXRCSA-N 2 0 328.457 -0.567 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001166708618 832282665 /nfs/dbraw/zinc/28/26/65/832282665.db2.gz UWWYBFSTENTSIU-KGLIPLIRSA-N 2 0 328.457 -0.567 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)NCCC[NH2+]CCN2CCNC2=O)C1 ZINC001166765090 832286403 /nfs/dbraw/zinc/28/64/03/832286403.db2.gz QXCPLXFWDUVQMZ-UHFFFAOYSA-N 2 0 325.457 -0.161 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001166765417 832286422 /nfs/dbraw/zinc/28/64/22/832286422.db2.gz ZUNYZUXLFACFPA-UHFFFAOYSA-N 2 0 340.468 -0.327 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001166765154 832286485 /nfs/dbraw/zinc/28/64/85/832286485.db2.gz URKWAQHBLPTCJY-OAHLLOKOSA-N 2 0 345.484 -0.162 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC2(C[NH2+][C@@H](C)C(N)=O)CC2)C1 ZINC001166814956 832290164 /nfs/dbraw/zinc/29/01/64/832290164.db2.gz VXNXVVKDPMNUSR-UONOGXRCSA-N 2 0 340.468 -0.155 20 0 EBADRP CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCO[C@@H](C)C1)[NH+](C)C ZINC001166865537 832294523 /nfs/dbraw/zinc/29/45/23/832294523.db2.gz GKSGJWCAGBHBKO-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@H](COCC(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O)[NH+]1CCCC1 ZINC001166924335 832298821 /nfs/dbraw/zinc/29/88/21/832298821.db2.gz KEJZEOREVPOBGO-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](COCC(=O)NCCC[NH2+]Cc1cnnn1C)[NH+]1CCCC1 ZINC001166931924 832300115 /nfs/dbraw/zinc/30/01/15/832300115.db2.gz ZPAXNVPAGGTYLX-CQSZACIVSA-N 2 0 338.456 -0.088 20 0 EBADRP C[C@@H](COCC(=O)NCCC[NH2+]Cc1ncnn1C)[NH+]1CCCC1 ZINC001166931417 832300159 /nfs/dbraw/zinc/30/01/59/832300159.db2.gz UUWCRKACKKSUDY-AWEZNQCLSA-N 2 0 338.456 -0.088 20 0 EBADRP C[C@H](COCC(=O)NCCC[NH2+][C@H]1CCCNC1=O)[NH+]1CCCC1 ZINC001166931866 832300582 /nfs/dbraw/zinc/30/05/82/832300582.db2.gz XYVOYUCHWSYZGC-CABCVRRESA-N 2 0 340.468 -0.138 20 0 EBADRP C[C@H](COCC(=O)NCCC[NH2+]Cc1ncnn1C)[NH+]1CCCC1 ZINC001166931418 832300669 /nfs/dbraw/zinc/30/06/69/832300669.db2.gz UUWCRKACKKSUDY-CQSZACIVSA-N 2 0 338.456 -0.088 20 0 EBADRP C[NH+](C)CCC(=O)NCCC1(C[NH2+]CC(=O)N2CCOCC2)CC1 ZINC001166971077 832304096 /nfs/dbraw/zinc/30/40/96/832304096.db2.gz GXCMBNRNAGTQAO-UHFFFAOYSA-N 2 0 340.468 -0.327 20 0 EBADRP C[C@@H](COCC(=O)NCCC1(C[NH2+]CC(N)=O)CC1)[NH+]1CCCC1 ZINC001167274017 832323855 /nfs/dbraw/zinc/32/38/55/832323855.db2.gz INFHSTSYNMGZSX-AWEZNQCLSA-N 2 0 340.468 -0.151 20 0 EBADRP C[C@@H](C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+]1CCCCCC1 ZINC001167608579 832360888 /nfs/dbraw/zinc/36/08/88/832360888.db2.gz GUSKPODEGJGYDN-ZDUSSCGKSA-N 2 0 338.456 -0.031 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001167636683 832361452 /nfs/dbraw/zinc/36/14/52/832361452.db2.gz XZLLUSLLYKTJGO-QWHCGFSZSA-N 2 0 341.456 -0.071 20 0 EBADRP CN1CC[C@@H]([NH2+]CC2(CCNC(=O)COCC[NH+](C)C)CC2)C1=O ZINC001167736428 832368905 /nfs/dbraw/zinc/36/89/05/832368905.db2.gz ABBLNIMXVJXFFD-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001167746788 832370444 /nfs/dbraw/zinc/37/04/44/832370444.db2.gz ZTELROFQEKPPBA-UHFFFAOYSA-N 2 0 337.424 -0.847 20 0 EBADRP COC(=O)c1cc(NC(=[NH2+])NCCCC[NH3+])nc(S(C)(=O)=O)n1 ZINC001167879224 832380885 /nfs/dbraw/zinc/38/08/85/832380885.db2.gz ZOKSJJVVHXFICY-UHFFFAOYSA-N 2 0 344.397 -0.658 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NCCC[NH2+][C@@H]2CCCNC2=O)cn1 ZINC001168051222 832391233 /nfs/dbraw/zinc/39/12/33/832391233.db2.gz BLNYXGYJZCTRLQ-CQSZACIVSA-N 2 0 336.440 -0.567 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC2(C[NH2+][C@H]3CCC(=O)NC3=O)CC2)C1 ZINC001168138578 832399017 /nfs/dbraw/zinc/39/90/17/832399017.db2.gz SSNZFEZITKJMOP-OLZOCXBDSA-N 2 0 336.436 -0.381 20 0 EBADRP CNC(=O)C[NH2+]CC1(CCNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001168153609 832400366 /nfs/dbraw/zinc/40/03/66/832400366.db2.gz OLLLFQSITDQIPP-CQSZACIVSA-N 2 0 340.468 -0.423 20 0 EBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001353325277 832422367 /nfs/dbraw/zinc/42/23/67/832422367.db2.gz WUNBRFQDVOWACB-JOCQHMNTSA-N 2 0 326.441 -0.855 20 0 EBADRP CC[NH+]1CCN(CCCNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001353583134 832434220 /nfs/dbraw/zinc/43/42/20/832434220.db2.gz ROGODDMEDKQSFZ-HNNXBMFYSA-N 2 0 339.484 -0.673 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001168755594 832434416 /nfs/dbraw/zinc/43/44/16/832434416.db2.gz ODLCCXFEBWMELR-AWEZNQCLSA-N 2 0 348.513 -0.294 20 0 EBADRP [NH3+]Cc1cccc(-c2nnn(-c3ccnc(N4CC[NH2+]CC4)n3)n2)c1 ZINC001168876602 832439134 /nfs/dbraw/zinc/43/91/34/832439134.db2.gz HNCOAWFZFUQZHD-UHFFFAOYSA-N 2 0 337.391 -0.012 20 0 EBADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]2C[NH2+]CCN2C)CC1 ZINC001353698004 832441125 /nfs/dbraw/zinc/44/11/25/832441125.db2.gz BKRHFFGEZZFNBB-AWEZNQCLSA-N 2 0 326.441 -0.719 20 0 EBADRP [NH3+][C@@H](CO)Cc1cncn1-c1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC001169075795 832447635 /nfs/dbraw/zinc/44/76/35/832447635.db2.gz YCYLVEHWQVGICI-CQSZACIVSA-N 2 0 329.404 -0.220 20 0 EBADRP CC[NH+]1CCC([NH2+]CCNC(=O)Cn2cc(C)c(=O)[nH]c2=O)CC1 ZINC001169233555 832452763 /nfs/dbraw/zinc/45/27/63/832452763.db2.gz TWTPPJXXUPUJKM-UHFFFAOYSA-N 2 0 337.424 -0.553 20 0 EBADRP C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169808729 832477207 /nfs/dbraw/zinc/47/72/07/832477207.db2.gz DKKYLBHBWRBSRJ-VXGBXAGGSA-N 2 0 327.429 -0.460 20 0 EBADRP O=C(CN1CC[NH2+]CC1)NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001354760853 832518251 /nfs/dbraw/zinc/51/82/51/832518251.db2.gz RPPBLTSHBWORIT-UHFFFAOYSA-N 2 0 331.464 -0.387 20 0 EBADRP COC(=O)Cc1cc(N[C@H]([NH3+])CCC[NH3+])ccc1S(N)(=O)=O ZINC001170903704 832530760 /nfs/dbraw/zinc/53/07/60/832530760.db2.gz KITZYRVGCITMHX-LBPRGKRZSA-N 2 0 330.410 -0.515 20 0 EBADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001171175063 832549862 /nfs/dbraw/zinc/54/98/62/832549862.db2.gz PNVNXDHFUZGAET-KGLIPLIRSA-N 2 0 348.513 -0.248 20 0 EBADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001171175064 832549865 /nfs/dbraw/zinc/54/98/65/832549865.db2.gz PNVNXDHFUZGAET-UONOGXRCSA-N 2 0 348.513 -0.248 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]Cc1cn(CC2CC2)nn1 ZINC001171204783 832550420 /nfs/dbraw/zinc/55/04/20/832550420.db2.gz GEZGBFGCQGYFOZ-UHFFFAOYSA-N 2 0 338.456 -0.138 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001171204557 832550529 /nfs/dbraw/zinc/55/05/29/832550529.db2.gz CIAZFBHSPUPHCO-UHFFFAOYSA-N 2 0 349.497 -0.515 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001171204499 832550642 /nfs/dbraw/zinc/55/06/42/832550642.db2.gz BCDPSGRBAYXWSW-ZDUSSCGKSA-N 2 0 335.470 -0.905 20 0 EBADRP CCN(CC)C(=O)[C@H](C)[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171216405 832551131 /nfs/dbraw/zinc/55/11/31/832551131.db2.gz IDAQSEDGHXSESB-AWEZNQCLSA-N 2 0 330.473 -0.083 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001171215397 832551387 /nfs/dbraw/zinc/55/13/87/832551387.db2.gz BWOZCRJBEMXPSX-GFCCVEGCSA-N 2 0 339.440 -0.588 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001171215406 832551400 /nfs/dbraw/zinc/55/14/00/832551400.db2.gz BYSFRJWEBUDXAM-CQSZACIVSA-N 2 0 346.497 -0.540 20 0 EBADRP CC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171216877 832551442 /nfs/dbraw/zinc/55/14/42/832551442.db2.gz KIEZWWGGSQYPJR-KGLIPLIRSA-N 2 0 330.473 -0.036 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)C[C@H]2CC[N@H+](C)C2)CCO1 ZINC001171227615 832552215 /nfs/dbraw/zinc/55/22/15/832552215.db2.gz QGJJHTWIMKYYBU-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]CCNS(=O)(=O)CC ZINC001171732162 832574175 /nfs/dbraw/zinc/57/41/75/832574175.db2.gz YBKPTEUJIXRQMW-UHFFFAOYSA-N 2 0 336.502 -0.247 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[N@H+](C)CCC ZINC001171757237 832574917 /nfs/dbraw/zinc/57/49/17/832574917.db2.gz GGUHBFULLJPGJY-UHFFFAOYSA-N 2 0 329.445 -0.340 20 0 EBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH3+])CCN1C(=O)c1ccccc1 ZINC001173490459 832584686 /nfs/dbraw/zinc/58/46/86/832584686.db2.gz LKHUPSVKDXDEPU-KFWWJZLASA-N 2 0 335.404 -0.258 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCN2C2CCOCC2)CC1 ZINC001356113786 832601024 /nfs/dbraw/zinc/60/10/24/832601024.db2.gz NVVOEMZYZZEYQG-IAGOWNOFSA-N 2 0 326.485 -0.562 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001176057166 832653884 /nfs/dbraw/zinc/65/38/84/832653884.db2.gz MSDYRMRZXYDNCG-KBPBESRZSA-N 2 0 331.482 -0.141 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)Nc1ncccn1 ZINC001176049162 832654036 /nfs/dbraw/zinc/65/40/36/832654036.db2.gz JJYQBEHBFIKIJK-STQMWFEESA-N 2 0 334.424 -0.149 20 0 EBADRP Cn1cc(N2CC[C@@H]([NH2+]CCCNC(=O)[C@H]3CC[N@H+](C)C3)C2=O)cn1 ZINC001176057684 832654228 /nfs/dbraw/zinc/65/42/28/832654228.db2.gz QZMHBZLVPZJACY-DZGCQCFKSA-N 2 0 348.451 -0.427 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176071813 832655767 /nfs/dbraw/zinc/65/57/67/832655767.db2.gz IJHCXJGGLCKFAT-NEPJUHHUSA-N 2 0 327.429 -0.732 20 0 EBADRP O=C(C[NH+]1CCCC1)NCCC[NH2+]CC(=O)NC1CCOCC1 ZINC001176095806 832657388 /nfs/dbraw/zinc/65/73/88/832657388.db2.gz IEZBIDHQXOPNJO-UHFFFAOYSA-N 2 0 326.441 -0.527 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176119272 832658822 /nfs/dbraw/zinc/65/88/22/832658822.db2.gz YTHAMGXYIMZLDA-ZDUSSCGKSA-N 2 0 341.456 -0.199 20 0 EBADRP CC[C@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176168987 832660814 /nfs/dbraw/zinc/66/08/14/832660814.db2.gz IJKMGEKCZMEECC-GJZGRUSLSA-N 2 0 342.484 -0.035 20 0 EBADRP CCn1ncc(C[NH2+]CCCNC(=O)[C@H](C)C[NH+]2CCOCC2)n1 ZINC001176168604 832661336 /nfs/dbraw/zinc/66/13/36/832661336.db2.gz FHTUBIBXKFWDTO-CQSZACIVSA-N 2 0 338.456 -0.138 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001176856038 832696592 /nfs/dbraw/zinc/69/65/92/832696592.db2.gz GYFYQTYBNWKFPF-CHWSQXEVSA-N 2 0 339.440 -0.493 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001176986667 832726162 /nfs/dbraw/zinc/72/61/62/832726162.db2.gz SCRRZGNXOIRTNK-ZDUSSCGKSA-N 2 0 343.472 -0.985 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001176992714 832727612 /nfs/dbraw/zinc/72/76/12/832727612.db2.gz YNYQCTAWENDWIO-CYBMUJFWSA-N 2 0 334.486 -0.494 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001176992783 832727625 /nfs/dbraw/zinc/72/76/25/832727625.db2.gz ZYUALKDEBPWLTF-OLZOCXBDSA-N 2 0 341.456 -0.199 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001176992541 832727663 /nfs/dbraw/zinc/72/76/63/832727663.db2.gz SVPDZSNATMCRMI-CQSZACIVSA-N 2 0 325.457 -0.018 20 0 EBADRP CC(C)[C@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)[NH+]1CCCC1 ZINC001176998916 832730507 /nfs/dbraw/zinc/73/05/07/832730507.db2.gz LVCFPDDDRITLNX-CHWSQXEVSA-N 2 0 341.456 -0.214 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001176998644 832730695 /nfs/dbraw/zinc/73/06/95/832730695.db2.gz FBTMSEKHLOBVQE-CQSZACIVSA-N 2 0 341.456 -0.342 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)CCCC[NH+]1CCCC1)C(=O)NC(N)=O ZINC001177336747 832775244 /nfs/dbraw/zinc/77/52/44/832775244.db2.gz VUSVRZQEQBQDRN-ZDUSSCGKSA-N 2 0 341.456 -0.068 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001178926548 832931572 /nfs/dbraw/zinc/93/15/72/832931572.db2.gz YYCSGHULARHYJM-XQQFMLRXSA-N 2 0 339.440 -0.365 20 0 EBADRP C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCS(C)(=O)=O)[C@@H]2C)C1 ZINC001179538384 832986005 /nfs/dbraw/zinc/98/60/05/832986005.db2.gz BWPGRBUVOJMKST-IHRRRGAJSA-N 2 0 331.482 -0.048 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](O)COC)C[C@H]1OC ZINC001212487189 837698444 /nfs/dbraw/zinc/69/84/44/837698444.db2.gz WDEYLYCGXNNDOY-BFHYXJOUSA-N 2 0 331.457 -0.461 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]CCCO[C@@H]2CCOC2)C1 ZINC001187106854 833901012 /nfs/dbraw/zinc/90/10/12/833901012.db2.gz OGCDAUUJABRQHA-HZPDHXFCSA-N 2 0 343.468 -0.049 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001187106809 833901838 /nfs/dbraw/zinc/90/18/38/833901838.db2.gz MKBNICRKXHTQCG-HZPDHXFCSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)[C@@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115794 833902443 /nfs/dbraw/zinc/90/24/43/833902443.db2.gz UDFBYYKKRFKNFH-HUUCEWRRSA-N 2 0 342.484 -0.084 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COCCOC)C1 ZINC001187298316 833917671 /nfs/dbraw/zinc/91/76/71/833917671.db2.gz BHORGCDJLOMPAZ-HZPDHXFCSA-N 2 0 345.484 -0.067 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCOCCNC(C)=O)C1 ZINC001187321483 833919703 /nfs/dbraw/zinc/91/97/03/833919703.db2.gz AEEOFYARCRUOQL-OAHLLOKOSA-N 2 0 328.457 -0.329 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC3(CS(C)(=O)=O)CC3)C2)C1 ZINC001187824912 833971645 /nfs/dbraw/zinc/97/16/45/833971645.db2.gz BXABRCIUMIMFPB-ZIAGYGMSSA-N 2 0 343.493 -0.047 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001187921279 833983646 /nfs/dbraw/zinc/98/36/46/833983646.db2.gz CCAXAVUISUJDKU-CYBMUJFWSA-N 2 0 339.440 -0.362 20 0 EBADRP CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+]1CCCC1 ZINC001188139888 834012844 /nfs/dbraw/zinc/01/28/44/834012844.db2.gz UKOMOXZUZADNSU-TZMCWYRMSA-N 2 0 339.440 -0.508 20 0 EBADRP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+]1CCCC1 ZINC001188139887 834013072 /nfs/dbraw/zinc/01/30/72/834013072.db2.gz UKOMOXZUZADNSU-OCCSQVGLSA-N 2 0 339.440 -0.508 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001188158017 834016572 /nfs/dbraw/zinc/01/65/72/834016572.db2.gz DAUYVSPVAKCVGO-CYBMUJFWSA-N 2 0 334.486 -0.592 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001188158284 834018205 /nfs/dbraw/zinc/01/82/05/834018205.db2.gz KEAGGOVGIDVRDG-NWDGAFQWSA-N 2 0 327.429 -0.639 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001189126099 834127756 /nfs/dbraw/zinc/12/77/56/834127756.db2.gz CCPKRUYNRQWSGR-OWCLPIDISA-N 2 0 325.453 -0.130 20 0 EBADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820089 834194848 /nfs/dbraw/zinc/19/48/48/834194848.db2.gz OSUUOZNKGFYFBC-MELADBBJSA-N 2 0 326.441 -0.639 20 0 EBADRP C[N@H+](CCOCCO)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190221523 834246787 /nfs/dbraw/zinc/24/67/87/834246787.db2.gz DDIKZINZVVTVCU-CVEARBPZSA-N 2 0 325.453 -0.130 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213340010 837751249 /nfs/dbraw/zinc/75/12/49/837751249.db2.gz LBDAAMCTQHQZCA-BFHYXJOUSA-N 2 0 329.441 -0.849 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001190363182 834262280 /nfs/dbraw/zinc/26/22/80/834262280.db2.gz DTTFGGCOUMNQNA-BFHYXJOUSA-N 2 0 336.436 -0.336 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CC[C@H]([N@H+](C)[C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001192018439 834594445 /nfs/dbraw/zinc/59/44/45/834594445.db2.gz UNQHEVKVLCLYDO-STQMWFEESA-N 2 0 336.436 -0.334 20 0 EBADRP COCCOC[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192045291 834598715 /nfs/dbraw/zinc/59/87/15/834598715.db2.gz BRCSGUCNRHAADD-JKSUJKDBSA-N 2 0 345.484 -0.115 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192141014 834616970 /nfs/dbraw/zinc/61/69/70/834616970.db2.gz ABERHQZJEQESMK-CHWSQXEVSA-N 2 0 341.456 -0.295 20 0 EBADRP CC(=O)NCCOCC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169610 834619228 /nfs/dbraw/zinc/61/92/28/834619228.db2.gz BGMBVLHYFMHJBF-HNNXBMFYSA-N 2 0 328.457 -0.377 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)C(=O)NC(N)=O)C1 ZINC001192947477 834769388 /nfs/dbraw/zinc/76/93/88/834769388.db2.gz IVWFOWYXRHSVQK-VXGBXAGGSA-N 2 0 327.429 -0.556 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@H+](C)CCN2CCNC2=O)C1 ZINC001192969398 834773676 /nfs/dbraw/zinc/77/36/76/834773676.db2.gz JILSUMBZOIGGLK-CQSZACIVSA-N 2 0 325.457 -0.114 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)C[C@@H](O)COCCOC)C1 ZINC001193291326 834826237 /nfs/dbraw/zinc/82/62/37/834826237.db2.gz IAMOSFFOLIGKLY-HZPDHXFCSA-N 2 0 345.484 -0.115 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CCN2CCNC2=O)C1 ZINC001193289943 834826526 /nfs/dbraw/zinc/82/65/26/834826526.db2.gz CBQQECZGZRTFSM-AWEZNQCLSA-N 2 0 325.457 -0.114 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)C[C@@H](O)COCCOC)C1 ZINC001193291329 834827410 /nfs/dbraw/zinc/82/74/10/834827410.db2.gz IAMOSFFOLIGKLY-JKSUJKDBSA-N 2 0 345.484 -0.115 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CCN2C(=O)CNC2=O)C1 ZINC001193280236 834827789 /nfs/dbraw/zinc/82/77/89/834827789.db2.gz VBAANEFVNPQUBO-CYBMUJFWSA-N 2 0 339.440 -0.587 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193499977 834891383 /nfs/dbraw/zinc/89/13/83/834891383.db2.gz NHSCFCWTPVTKFG-RYUDHWBXSA-N 2 0 337.424 -0.802 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@@H](C)C(=O)NC(N)=O)C1 ZINC001193612151 834914948 /nfs/dbraw/zinc/91/49/48/834914948.db2.gz ZQFJNIYPVFWRPS-STQMWFEESA-N 2 0 341.456 -0.166 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1O ZINC001193738316 834935107 /nfs/dbraw/zinc/93/51/07/834935107.db2.gz QMKITIQKDRJOGS-BZUAXINKSA-N 2 0 343.468 -0.581 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@H]1O ZINC001193892419 834962284 /nfs/dbraw/zinc/96/22/84/834962284.db2.gz NALINULVYIMSRC-RBSFLKMASA-N 2 0 329.441 -0.969 20 0 EBADRP COCCOC[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194040790 835006709 /nfs/dbraw/zinc/00/67/09/835006709.db2.gz SJPNBLVDVUUJRC-HOTGVXAUSA-N 2 0 343.468 -0.361 20 0 EBADRP 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CC[C@H]([NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1)C(N)=O ZINC001201259514 836119112 /nfs/dbraw/zinc/11/91/12/836119112.db2.gz ARUJKAHYQBXJSJ-KGLIPLIRSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1)C(N)=O ZINC001201262042 836119732 /nfs/dbraw/zinc/11/97/32/836119732.db2.gz ROUVZJMNNUWCKV-QWHCGFSZSA-N 2 0 326.441 -0.591 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201277619 836121736 /nfs/dbraw/zinc/12/17/36/836121736.db2.gz VVNLCNOSWNBGBD-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201276160 836121885 /nfs/dbraw/zinc/12/18/85/836121885.db2.gz GIMBEFVAOHXHAX-GJZGRUSLSA-N 2 0 331.457 -0.457 20 0 EBADRP CC[C@H]([NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1)C(N)=O ZINC001201309901 836126798 /nfs/dbraw/zinc/12/67/98/836126798.db2.gz URRQHIGACGQZPW-CABCVRRESA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1)C(=O)NC1CC1 ZINC001201317141 836128875 /nfs/dbraw/zinc/12/88/75/836128875.db2.gz FYWKXKYYADNXIH-UKRRQHHQSA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+](C)CCC(=O)N1CCCO[C@@H](C[NH2+]CCNC(=O)C2CC2)C1 ZINC001201333650 836129931 /nfs/dbraw/zinc/12/99/31/836129931.db2.gz BHDUOKSEWWDQPW-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)CCCO1 ZINC001201402130 836139992 /nfs/dbraw/zinc/13/99/92/836139992.db2.gz BCUZZGDDHKWRMS-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)CCCO1 ZINC001201403430 836141177 /nfs/dbraw/zinc/14/11/77/836141177.db2.gz LOUPASBSFQHTRT-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]CCOCCO)C1)[NH+](C)C ZINC001201410185 836142464 /nfs/dbraw/zinc/14/24/64/836142464.db2.gz CJQUKANAVZKAKK-GJZGRUSLSA-N 2 0 331.457 -0.457 20 0 EBADRP C[C@H](C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1)[NH+]1CCCCCC1 ZINC001201557040 836159532 /nfs/dbraw/zinc/15/95/32/836159532.db2.gz CCJJZNSLKYECHD-CABCVRRESA-N 2 0 340.468 -0.057 20 0 EBADRP CC[C@H]([NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)CCCO1)C(N)=O ZINC001201677776 836174169 /nfs/dbraw/zinc/17/41/69/836174169.db2.gz DCKYYJWDUBUJNY-KGLIPLIRSA-N 2 0 328.457 -0.201 20 0 EBADRP CC[C@@H]([NH2+]C[C@H]1CN(C(=O)C[NH+](CC)CC)CCCO1)C(N)=O ZINC001201677777 836174281 /nfs/dbraw/zinc/17/42/81/836174281.db2.gz DCKYYJWDUBUJNY-UONOGXRCSA-N 2 0 328.457 -0.201 20 0 EBADRP C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CCCO1 ZINC001201727488 836184492 /nfs/dbraw/zinc/18/44/92/836184492.db2.gz XMUFZCZZXXFJMW-HOCLYGCPSA-N 2 0 343.468 -0.315 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001201800014 836192687 /nfs/dbraw/zinc/19/26/87/836192687.db2.gz AHMYIDRPZIUMNM-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001201863376 836207980 /nfs/dbraw/zinc/20/79/80/836207980.db2.gz LXANWUGSDHTEDS-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCCO[C@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC001201864444 836209456 /nfs/dbraw/zinc/20/94/56/836209456.db2.gz XIDPEFBUEMGINA-HZPDHXFCSA-N 2 0 343.468 -0.192 20 0 EBADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CCCO1)C(N)=O ZINC001201872443 836210207 /nfs/dbraw/zinc/21/02/07/836210207.db2.gz OTUZBSJCFSWSIZ-QWHCGFSZSA-N 2 0 349.435 -0.158 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001201931570 836217668 /nfs/dbraw/zinc/21/76/68/836217668.db2.gz MSFPDWBSFOZHBR-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001201932147 836217912 /nfs/dbraw/zinc/21/79/12/836217912.db2.gz RZAHIWRUXXBSTF-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202059888 836244056 /nfs/dbraw/zinc/24/40/56/836244056.db2.gz SJGKJNLLERYRNQ-HUUCEWRRSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCCO[C@H](C[NH2+]CCCO)C1 ZINC001202071153 836249448 /nfs/dbraw/zinc/24/94/48/836249448.db2.gz WZVHWGKIQLRAFU-HZPDHXFCSA-N 2 0 343.468 -0.456 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001202148244 836263082 /nfs/dbraw/zinc/26/30/82/836263082.db2.gz SJGMSIUJVKSZGZ-KGLIPLIRSA-N 2 0 326.441 -0.447 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC([NH2+]C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001202322012 836290567 /nfs/dbraw/zinc/29/05/67/836290567.db2.gz DKPKSPQLGKNSIO-CYBMUJFWSA-N 2 0 331.482 -0.047 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC([NH2+]CC(=O)NC(=O)NC2CC2)CC1 ZINC001202316186 836291308 /nfs/dbraw/zinc/29/13/08/836291308.db2.gz QITHXRJSTCPQCM-UHFFFAOYSA-N 2 0 339.440 -0.493 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202330174 836291739 /nfs/dbraw/zinc/29/17/39/836291739.db2.gz CRWBUDNHMKXCIY-UHFFFAOYSA-N 2 0 334.486 -0.542 20 0 EBADRP C[C@@H]([NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1)C(=O)NC(N)=O ZINC001202496796 836307652 /nfs/dbraw/zinc/30/76/52/836307652.db2.gz YVOKPOKHBIUNOA-NWDGAFQWSA-N 2 0 339.440 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836420605 /nfs/dbraw/zinc/42/06/05/836420605.db2.gz LVTIGZFWHMUJRG-UHFFFAOYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C23CCC3)CC1 ZINC001203558000 836448038 /nfs/dbraw/zinc/44/80/38/836448038.db2.gz UGBNPBWRCVKSDX-KGLIPLIRSA-N 2 0 338.452 -0.401 20 0 EBADRP COCCOC[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001203699763 836462589 /nfs/dbraw/zinc/46/25/89/836462589.db2.gz SCNDDPNFXLCGJG-GDBMZVCRSA-N 2 0 343.468 -0.457 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203730093 836469334 /nfs/dbraw/zinc/46/93/34/836469334.db2.gz JCXZMJCGGHRUGX-NEPJUHHUSA-N 2 0 337.424 -0.706 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001204799039 836530119 /nfs/dbraw/zinc/53/01/19/836530119.db2.gz QSSQJMKJXXZOEW-CYBMUJFWSA-N 2 0 339.440 -0.636 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001205526313 836575182 /nfs/dbraw/zinc/57/51/82/836575182.db2.gz OSNDZUHVTWUKGM-ZDUSSCGKSA-N 2 0 339.440 -0.506 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CCC(C[NH2+]CC(=O)NC(N)=O)CC2)CC1 ZINC001206061660 836619450 /nfs/dbraw/zinc/61/94/50/836619450.db2.gz ODCIICMLHCHZTE-UHFFFAOYSA-N 2 0 339.440 -0.649 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC(C[NH2+]CCN2C(=O)CNC2=O)CC1 ZINC001206138965 836625792 /nfs/dbraw/zinc/62/57/92/836625792.db2.gz WIBMKCCLTPMJPO-UHFFFAOYSA-N 2 0 339.440 -0.682 20 0 EBADRP CC[C@@H](C(=O)N1CCC(C[NH2+]CC(=O)NC(=O)NC)CC1)[NH+](C)C ZINC001206301275 836638354 /nfs/dbraw/zinc/63/83/54/836638354.db2.gz MGDWCCOPCKUHDY-ZDUSSCGKSA-N 2 0 341.456 -0.390 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC(C[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001206794956 836678876 /nfs/dbraw/zinc/67/88/76/836678876.db2.gz WHODAEFMMDSLMI-AWEZNQCLSA-N 2 0 338.452 -0.038 20 0 EBADRP CN(C)C(=O)C[NH2+]CC1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001206873938 836688127 /nfs/dbraw/zinc/68/81/27/836688127.db2.gz XIUSQDDSXAQTCT-UHFFFAOYSA-N 2 0 328.457 -0.519 20 0 EBADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207550901 836816538 /nfs/dbraw/zinc/81/65/38/836816538.db2.gz NFCYPDUBBWOGMK-BPLDGKMQSA-N 2 0 337.468 -0.212 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001207687860 836844920 /nfs/dbraw/zinc/84/49/20/836844920.db2.gz JIFPAPLNBPCBNJ-OLZOCXBDSA-N 2 0 339.440 -0.493 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001207685088 836845851 /nfs/dbraw/zinc/84/58/51/836845851.db2.gz WIDDELZOUHCYBR-STQMWFEESA-N 2 0 332.470 -0.790 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001208063673 836938532 /nfs/dbraw/zinc/93/85/32/836938532.db2.gz RSGXHGSKYCQYRS-OLZOCXBDSA-N 2 0 337.424 -0.896 20 0 EBADRP C[N@H+](CC(=O)N1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1)C1CCC1 ZINC001208340464 836999550 /nfs/dbraw/zinc/99/95/50/836999550.db2.gz MBKNBMWMTWIBEG-ZDUSSCGKSA-N 2 0 346.497 -0.400 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001208414796 837027334 /nfs/dbraw/zinc/02/73/34/837027334.db2.gz YBWKNLILQPRCON-NWDGAFQWSA-N 2 0 327.429 -0.637 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001208422792 837029342 /nfs/dbraw/zinc/02/93/42/837029342.db2.gz AYKBHWWIZVXTLP-ZIAGYGMSSA-N 2 0 346.497 -0.400 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209304595 837154394 /nfs/dbraw/zinc/15/43/94/837154394.db2.gz SUSAFQHQLUVKAB-LBPRGKRZSA-N 2 0 339.440 -0.636 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001209445636 837168281 /nfs/dbraw/zinc/16/82/81/837168281.db2.gz NXTOKADZLLXIFY-AWEZNQCLSA-N 2 0 346.497 -0.446 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001209649616 837186069 /nfs/dbraw/zinc/18/60/69/837186069.db2.gz TUMHKEUEDOFPFO-ZIAGYGMSSA-N 2 0 338.452 -0.086 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1)[NH+](C)C ZINC001209669347 837188332 /nfs/dbraw/zinc/18/83/32/837188332.db2.gz PFMRNHFQYGHIFA-KBPBESRZSA-N 2 0 348.513 -0.201 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001209670308 837188725 /nfs/dbraw/zinc/18/87/25/837188725.db2.gz YBWKNLILQPRCON-RYUDHWBXSA-N 2 0 327.429 -0.637 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001210492407 837290261 /nfs/dbraw/zinc/29/02/61/837290261.db2.gz AXJSAPATGKUBIY-CQSZACIVSA-N 2 0 348.513 -0.200 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001210676120 837319205 /nfs/dbraw/zinc/31/92/05/837319205.db2.gz CMWABCXMQUZQQJ-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210751151 837328021 /nfs/dbraw/zinc/32/80/21/837328021.db2.gz ULGQXUSXCGSSFW-ZDUSSCGKSA-N 2 0 341.456 -0.246 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001211071103 837378896 /nfs/dbraw/zinc/37/88/96/837378896.db2.gz GSOYLYFMEOOZBC-ZIAGYGMSSA-N 2 0 331.482 -0.047 20 0 EBADRP COCCOCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213719299 837851783 /nfs/dbraw/zinc/85/17/83/837851783.db2.gz WMMCSBBPEDIGRH-ARFHVFGLSA-N 2 0 343.468 -0.193 20 0 EBADRP CO[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730682 837854684 /nfs/dbraw/zinc/85/46/84/837854684.db2.gz VDFGEKCGEFAVTQ-RRFJBIMHSA-N 2 0 329.441 -0.584 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]CCN(C)S(C)(=O)=O ZINC001319224430 838089620 /nfs/dbraw/zinc/08/96/20/838089620.db2.gz HIHZSAXGJPMFHE-CHWSQXEVSA-N 2 0 334.486 -0.686 20 0 EBADRP CC(C)[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCN1C(=O)CCC1=O ZINC001319958733 838199798 /nfs/dbraw/zinc/19/97/98/838199798.db2.gz WWUANRNMTFNPLC-CQSZACIVSA-N 2 0 338.452 -0.038 20 0 EBADRP Cc1nc(C)n(CC[NH2+]C[C@H](O)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001320296910 838749756 /nfs/dbraw/zinc/74/97/56/838749756.db2.gz WCDQAAZPCFMZMI-GJZGRUSLSA-N 2 0 338.456 -0.697 20 0 EBADRP C[C@@H](CC[NH2+]CCN1CCNC1=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320523977 838784393 /nfs/dbraw/zinc/78/43/93/838784393.db2.gz SJLDFSBCXFOOCW-KBPBESRZSA-N 2 0 325.457 -0.020 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NC(N)=O ZINC001321137501 838920238 /nfs/dbraw/zinc/92/02/38/838920238.db2.gz SGPWWFHCIAUBDA-ITDFMYJTSA-N 2 0 339.440 -0.436 20 0 EBADRP CC[C@@H](C(=O)NC/C=C\C[NH2+]CC(=O)N1CCO[C@H](C)C1)[NH+](C)C ZINC001321251675 838943041 /nfs/dbraw/zinc/94/30/41/838943041.db2.gz LPIDSXMODIOZJM-WJNHHXLDSA-N 2 0 340.468 -0.164 20 0 EBADRP CN(CCC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)C12CCC[NH+]1CCC2 ZINC001322593463 839211410 /nfs/dbraw/zinc/21/14/10/839211410.db2.gz ZBINDYQDYQSSHQ-ZDUSSCGKSA-N 2 0 336.436 -0.142 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC001322731367 839245776 /nfs/dbraw/zinc/24/57/76/839245776.db2.gz BERXPIZVWTUKHR-RBSFLKMASA-N 2 0 337.468 -0.909 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001324129135 839595924 /nfs/dbraw/zinc/59/59/24/839595924.db2.gz KMXBYUYVHWUNPC-STQMWFEESA-N 2 0 337.424 -0.787 20 0 EBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001325336756 839849478 /nfs/dbraw/zinc/84/94/78/839849478.db2.gz BAIVJNYTYDDLED-KGLIPLIRSA-N 2 0 328.457 -0.426 20 0 EBADRP Cn1cncc1C[NH2+]CCN(CCO)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001326024394 840006659 /nfs/dbraw/zinc/00/66/59/840006659.db2.gz TZFKAJKYEWMCJV-MRXNPFEDSA-N 2 0 335.452 -0.328 20 0 EBADRP COc1ncccc1C[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001326146456 840047910 /nfs/dbraw/zinc/04/79/10/840047910.db2.gz LPWMYPZQGVWXEC-OAHLLOKOSA-N 2 0 336.436 -0.048 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@H](CC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001326354637 840092265 /nfs/dbraw/zinc/09/22/65/840092265.db2.gz YLNZOJBZVOFQRK-ZDUSSCGKSA-N 2 0 339.440 -0.682 20 0 EBADRP C[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[C@H]1CCC[NH2+]C1 ZINC001326590556 840142495 /nfs/dbraw/zinc/14/24/95/840142495.db2.gz LRGPOVUSBISGHC-STQMWFEESA-N 2 0 336.440 -0.113 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CCO1 ZINC001327078553 840293479 /nfs/dbraw/zinc/29/34/79/840293479.db2.gz FHJQPJNPOUIGNA-HNNXBMFYSA-N 2 0 340.468 -0.185 20 0 EBADRP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)CC1 ZINC001327162572 840315656 /nfs/dbraw/zinc/31/56/56/840315656.db2.gz JROCFPNLORMHCQ-CYBMUJFWSA-N 2 0 341.456 -0.116 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC001327471084 840428701 /nfs/dbraw/zinc/42/87/01/840428701.db2.gz IBVUEFDDTFCDNN-CQSZACIVSA-N 2 0 341.456 -0.735 20 0 EBADRP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC001327498110 840436679 /nfs/dbraw/zinc/43/66/79/840436679.db2.gz JJYXBXFRIRRRCH-DZGCQCFKSA-N 2 0 338.452 -0.447 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001327501358 840436907 /nfs/dbraw/zinc/43/69/07/840436907.db2.gz UPCFEIDYGREVOU-HIFRSBDPSA-N 2 0 337.468 -0.020 20 0 EBADRP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC001327534098 840447809 /nfs/dbraw/zinc/44/78/09/840447809.db2.gz YNWGVALNQSHOSG-RHSMWYFYSA-N 2 0 338.452 -0.447 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001327922184 840549360 /nfs/dbraw/zinc/54/93/60/840549360.db2.gz CLCDUHDBZSQDFW-KGLIPLIRSA-N 2 0 338.452 -0.086 20 0 EBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CC(F)C1 ZINC001328036693 840573122 /nfs/dbraw/zinc/57/31/22/840573122.db2.gz JFHYABRELLVJHM-UHFFFAOYSA-N 2 0 349.410 -0.110 20 0 EBADRP C[N@H+](CC(=O)NC1CC(C[NH2+]CCN2CCNC2=O)C1)C1CCC1 ZINC001328870044 840774031 /nfs/dbraw/zinc/77/40/31/840774031.db2.gz YBEZZPHHGQSTTJ-UHFFFAOYSA-N 2 0 337.468 -0.020 20 0 EBADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC001328959153 840798878 /nfs/dbraw/zinc/79/88/78/840798878.db2.gz JXHLDXCKOBCMMJ-NSHDSACASA-N 2 0 330.348 -0.690 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001328976059 840804996 /nfs/dbraw/zinc/80/49/96/840804996.db2.gz XCIKVRLYBOSXAS-ZIAGYGMSSA-N 2 0 326.441 -0.712 20 0 EBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2([NH3+])CCOCC2)C[C@H]1C ZINC001329004431 840813493 /nfs/dbraw/zinc/81/34/93/840813493.db2.gz SAVJXPQPRWRILP-ZIAGYGMSSA-N 2 0 340.468 -0.058 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC2([NH3+])CCOCC2)C[C@H]1C ZINC001329004429 840813965 /nfs/dbraw/zinc/81/39/65/840813965.db2.gz SAVJXPQPRWRILP-KGLIPLIRSA-N 2 0 340.468 -0.058 20 0 EBADRP C[C@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001329148072 840857257 /nfs/dbraw/zinc/85/72/57/840857257.db2.gz PMVCMMQPMRCXGU-STQMWFEESA-N 2 0 348.513 -0.250 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001329201480 840872773 /nfs/dbraw/zinc/87/27/73/840872773.db2.gz CKQIPJWGZZBLON-NWDGAFQWSA-N 2 0 327.429 -0.639 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC001329551207 840950908 /nfs/dbraw/zinc/95/09/08/840950908.db2.gz CXMNMGYWPGHMQP-OWCLPIDISA-N 2 0 345.447 -0.198 20 0 EBADRP CN(OCC(F)(F)F)C(=O)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001329573570 840955251 /nfs/dbraw/zinc/95/52/51/840955251.db2.gz KGJTYXMUNLGFLP-LLVKDONJSA-N 2 0 342.362 -0.863 20 0 EBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CCCN1C(=O)CNC1=O ZINC001329615414 840966761 /nfs/dbraw/zinc/96/67/61/840966761.db2.gz ZSHHPLHVDWDIGE-ZDUSSCGKSA-N 2 0 339.440 -0.539 20 0 EBADRP [NH3+]C1(CNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCOCC1 ZINC001329989063 841084847 /nfs/dbraw/zinc/08/48/47/841084847.db2.gz KBFLLCODFXVASE-UHFFFAOYSA-N 2 0 344.375 -0.170 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001330709334 841262176 /nfs/dbraw/zinc/26/21/76/841262176.db2.gz UVMIACCHHPWXTQ-JOCQHMNTSA-N 2 0 339.440 -0.637 20 0 EBADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC001331155526 841358916 /nfs/dbraw/zinc/35/89/16/841358916.db2.gz PLWIONKYPIVGFJ-HDJSIYSDSA-N 2 0 338.452 -0.399 20 0 EBADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001331512301 841419206 /nfs/dbraw/zinc/41/92/06/841419206.db2.gz BXAXJAYRLROQSJ-LXTVHRRPSA-N 2 0 342.484 -0.134 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001332045027 841558215 /nfs/dbraw/zinc/55/82/15/841558215.db2.gz CAKULTQSDFMMLO-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001332115881 841576513 /nfs/dbraw/zinc/57/65/13/841576513.db2.gz ISPFEKHGEPSENH-ZDUSSCGKSA-N 2 0 325.457 -0.970 20 0 EBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)C1 ZINC001332251279 841598998 /nfs/dbraw/zinc/59/89/98/841598998.db2.gz QYZZAHFVLWVKOL-BARDWOONSA-N 2 0 338.452 -0.401 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCO1 ZINC001332331025 841617491 /nfs/dbraw/zinc/61/74/91/841617491.db2.gz GSWJGINUEJFDPM-MGPQQGTHSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC[N@@H+]1C ZINC001332434948 841641563 /nfs/dbraw/zinc/64/15/63/841641563.db2.gz YIRLEMMSDDSUOF-WWGRRREGSA-N 2 0 326.441 -0.760 20 0 EBADRP C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CO1 ZINC001333079832 841790933 /nfs/dbraw/zinc/79/09/33/841790933.db2.gz SSRFKWSVFVNEKX-YJNKXOJESA-N 2 0 340.468 -0.522 20 0 EBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC001333363355 841858367 /nfs/dbraw/zinc/85/83/67/841858367.db2.gz NLEQEHJSWBKSHA-MJBXVCDLSA-N 2 0 326.441 -0.448 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)C1 ZINC001333376063 841861280 /nfs/dbraw/zinc/86/12/80/841861280.db2.gz RGABCMWFLCHSTO-MELADBBJSA-N 2 0 326.441 -0.593 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H]1C(F)(F)F ZINC001333407184 841868989 /nfs/dbraw/zinc/86/89/89/841868989.db2.gz ZUSMUHXOWBOMMW-CKYFFXLPSA-N 2 0 348.369 -0.065 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCC[C@H](C)[NH3+])CC1 ZINC001333626996 841919317 /nfs/dbraw/zinc/91/93/17/841919317.db2.gz UWFSGMZISKNECJ-KBPBESRZSA-N 2 0 327.473 -0.770 20 0 EBADRP C[NH+]1CCC(NC(=O)C(=O)N2CCc3sc(C[NH3+])nc3C2)CC1 ZINC001333884108 841960632 /nfs/dbraw/zinc/96/06/32/841960632.db2.gz MNMSXLBGPPUSDV-UHFFFAOYSA-N 2 0 337.449 -0.303 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccns1 ZINC001333921154 841967124 /nfs/dbraw/zinc/96/71/24/841967124.db2.gz KILWZPJSKZWHDP-UHFFFAOYSA-N 2 0 341.481 -0.246 20 0 EBADRP C[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC001334954001 842154640 /nfs/dbraw/zinc/15/46/40/842154640.db2.gz WAMJUPARNZUODS-MJBXVCDLSA-N 2 0 331.482 -0.013 20 0 EBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC2CC[NH2+]CC2)CC1 ZINC001335248403 842240249 /nfs/dbraw/zinc/24/02/49/842240249.db2.gz QCGIXBLPROGWED-UHFFFAOYSA-N 2 0 338.452 -0.432 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCS(=O)(=O)C(F)(F)F)CC1 ZINC001335428557 842278509 /nfs/dbraw/zinc/27/85/09/842278509.db2.gz DKRYTCVKSIEDBG-SNVBAGLBSA-N 2 0 333.376 -0.881 20 0 EBADRP Cc1cccnc1NC(=O)CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001335515122 842297946 /nfs/dbraw/zinc/29/79/46/842297946.db2.gz SLLABRJLAVZBGH-HNNXBMFYSA-N 2 0 335.452 -0.083 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCCCO2)C[C@H]1C[NH+](C)C ZINC001335563893 842306442 /nfs/dbraw/zinc/30/64/42/842306442.db2.gz PVJHUOFYJWWRHR-ZIAGYGMSSA-N 2 0 326.441 -0.262 20 0 EBADRP CN(C(=O)C(=O)NCCCC[N@H+](C)C1CC1)C1(C[NH3+])CCOCC1 ZINC001335751124 842349861 /nfs/dbraw/zinc/34/98/61/842349861.db2.gz JDZKZYQUZXWVGX-UHFFFAOYSA-N 2 0 340.468 -0.057 20 0 EBADRP C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)C(=O)NCCOCCC[NH3+])C[C@H]2C1 ZINC001335793784 842356452 /nfs/dbraw/zinc/35/64/52/842356452.db2.gz CLCQUPFLEFJJSM-RRFJBIMHSA-N 2 0 340.468 -0.343 20 0 EBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)C[C@H]2C1 ZINC001336118862 842400436 /nfs/dbraw/zinc/40/04/36/842400436.db2.gz LNSZPPQSMWIINQ-DGXTUMSLSA-N 2 0 334.464 -0.147 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)C[NH+](C)C ZINC001336227825 842419902 /nfs/dbraw/zinc/41/99/02/842419902.db2.gz FYAPLILCJTVDOA-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CO[C@@H]1CC[C@H]1N(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001336318186 842437657 /nfs/dbraw/zinc/43/76/57/842437657.db2.gz DKWPKAIOTGGLSR-ZIAGYGMSSA-N 2 0 328.457 -0.426 20 0 EBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC001336649520 842525443 /nfs/dbraw/zinc/52/54/43/842525443.db2.gz OLFUROBDABUSLN-JOCQHMNTSA-N 2 0 326.441 -0.855 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC001336669950 842532438 /nfs/dbraw/zinc/53/24/38/842532438.db2.gz FSSTUXHYZALJHM-UHFFFAOYSA-N 2 0 337.424 -0.542 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)n1 ZINC001337132019 842579418 /nfs/dbraw/zinc/57/94/18/842579418.db2.gz QKIBLNLDAMVFEA-SUMWQHHRSA-N 2 0 348.451 -0.207 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC001337338148 842603904 /nfs/dbraw/zinc/60/39/04/842603904.db2.gz ITIGKGBFPMRLIF-IHRRRGAJSA-N 2 0 326.441 -0.687 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCC(=O)NCc2cccnc2)CC1 ZINC001338461263 842806206 /nfs/dbraw/zinc/80/62/06/842806206.db2.gz NYRFJBQWFQAJCD-INIZCTEOSA-N 2 0 335.452 -0.714 20 0 EBADRP [NH3+]CCNCC(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC001340865635 843038507 /nfs/dbraw/zinc/03/85/07/843038507.db2.gz UCHJEMHSXGWFDR-UHFFFAOYSA-N 2 0 347.463 -0.323 20 0 EBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001345199402 843374889 /nfs/dbraw/zinc/37/48/89/843374889.db2.gz YFZUSTMFYLQQDV-MGPQQGTHSA-N 2 0 328.457 -0.284 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC001345319220 843387409 /nfs/dbraw/zinc/38/74/09/843387409.db2.gz VNFASDDELSPDBY-UKRRQHHQSA-N 2 0 340.468 -0.188 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001345913660 843462477 /nfs/dbraw/zinc/46/24/77/843462477.db2.gz TZNVFHRZPIEULX-ILXRZTDVSA-N 2 0 340.468 -0.188 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)C[C@H]1C[NH3+] ZINC001346297438 843499363 /nfs/dbraw/zinc/49/93/63/843499363.db2.gz XVPMSIFIENGBSG-BFHYXJOUSA-N 2 0 326.441 -0.781 20 0 EBADRP COC(=O)[C@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001347733667 843642298 /nfs/dbraw/zinc/64/22/98/843642298.db2.gz SSTYJDRFANAPQC-JOCQHMNTSA-N 2 0 342.440 -0.994 20 0 EBADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001348331876 843683323 /nfs/dbraw/zinc/68/33/23/843683323.db2.gz GPZNJLZTIZXIHD-UHFFFAOYSA-N 2 0 326.441 -0.589 20 0 EBADRP CC(=O)N(C(=O)C(=O)N1CC[C@H]([NH3+])C1)c1ccc2c(c1)C[NH2+]CC2 ZINC001348819930 843750941 /nfs/dbraw/zinc/75/09/41/843750941.db2.gz BMZRYTLXBSLKPQ-AWEZNQCLSA-N 2 0 330.388 -0.229 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC001349608308 843921270 /nfs/dbraw/zinc/92/12/70/843921270.db2.gz KZFJFZRHNMOFQW-AAEUAGOBSA-N 2 0 332.395 -0.067 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001349624257 843922749 /nfs/dbraw/zinc/92/27/49/843922749.db2.gz AHSVRFBYTBWTBM-YOEHRIQHSA-N 2 0 340.468 -0.342 20 0 EBADRP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575272306 949642565 /nfs/dbraw/zinc/64/25/65/949642565.db2.gz ORWFYLGDHZQUNJ-QWRGUYRKSA-N 2 0 332.412 -0.060 20 0 EBADRP C[C@@H](Nc1cc[nH+]cc1-c1nn[nH]n1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001575272305 949642615 /nfs/dbraw/zinc/64/26/15/949642615.db2.gz ORWFYLGDHZQUNJ-MNOVXSKESA-N 2 0 332.412 -0.060 20 0 EBADRP Cn1cncc1CCC(=O)NC[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC001691168341 1125839686 /nfs/dbraw/zinc/83/96/86/1125839686.db2.gz HNPMHHVIAZUMFO-OCCSQVGLSA-N 2 0 347.419 -0.404 20 0 EBADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001691165679 1125839760 /nfs/dbraw/zinc/83/97/60/1125839760.db2.gz DBEQKJNIYLXIAB-UONOGXRCSA-N 2 0 338.452 -0.038 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@H]1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001691268125 1125846607 /nfs/dbraw/zinc/84/66/07/1125846607.db2.gz BMGCXKFXNGPYQT-MJBXVCDLSA-N 2 0 336.436 -0.238 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001691364967 1125853971 /nfs/dbraw/zinc/85/39/71/1125853971.db2.gz LJCBJVBSGXEMFG-LBPRGKRZSA-N 2 0 327.429 -0.636 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001480946258 1125889304 /nfs/dbraw/zinc/88/93/04/1125889304.db2.gz LKLQJUUMIITEED-NWDGAFQWSA-N 2 0 327.429 -0.780 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001481231530 1125948606 /nfs/dbraw/zinc/94/86/06/1125948606.db2.gz FIUVTGMAQCWCGP-ZIAGYGMSSA-N 2 0 326.441 -0.767 20 0 EBADRP C[C@H]([NH2+]CCN(C)C(=O)C12CCC[NH+]1CCC2)C(=O)NC(N)=O ZINC001481252198 1125954180 /nfs/dbraw/zinc/95/41/80/1125954180.db2.gz ZYGMSHKPXWHOCW-NSHDSACASA-N 2 0 325.413 -0.754 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001481277568 1125962634 /nfs/dbraw/zinc/96/26/34/1125962634.db2.gz TYKONCRLOFMDLA-CHWSQXEVSA-N 2 0 343.472 -0.145 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001481320347 1125973715 /nfs/dbraw/zinc/97/37/15/1125973715.db2.gz YTCSVUSGHGANAR-LBPRGKRZSA-N 2 0 341.456 -0.249 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CC(=O)NC(N)=O)CCCC1 ZINC001481892662 1126064981 /nfs/dbraw/zinc/06/49/81/1126064981.db2.gz WSELHSILNUCODL-NSHDSACASA-N 2 0 325.413 -0.706 20 0 EBADRP CN1CCO[C@H](C(=O)NC2(C[NH2+]CCS(C)(=O)=O)CCCC2)C1 ZINC001481891795 1126065209 /nfs/dbraw/zinc/06/52/09/1126065209.db2.gz VBDWOHLRIYFEQT-ZDUSSCGKSA-N 2 0 347.481 -0.620 20 0 EBADRP C[C@@H]([NH2+]C[C@](C)(NC(=O)CC[NH+](C)C)C1CC1)C(=O)NC(N)=O ZINC001481940860 1126068421 /nfs/dbraw/zinc/06/84/21/1126068421.db2.gz KQIUYSSYEGOQQQ-BMIGLBTASA-N 2 0 327.429 -0.604 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@](C)(C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001481951412 1126069046 /nfs/dbraw/zinc/06/90/46/1126069046.db2.gz LAPSWTLHGKYUGO-HNNXBMFYSA-N 2 0 327.429 -0.604 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@](C)(C[NH2+][C@@H](C)C(=O)NC(N)=O)C1CC1 ZINC001481949820 1126069086 /nfs/dbraw/zinc/06/90/86/1126069086.db2.gz AXPONKCBMDAXLD-ZBEGNZNMSA-N 2 0 341.456 -0.216 20 0 EBADRP C[C@H]1CCCC[C@]1(C[NH2+]CC(=O)NC(N)=O)NC(=O)CC[NH+](C)C ZINC001481962344 1126069626 /nfs/dbraw/zinc/06/96/26/1126069626.db2.gz QTZJPBGYTNMTRA-BLLLJJGKSA-N 2 0 341.456 -0.212 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482062831 1126074804 /nfs/dbraw/zinc/07/48/04/1126074804.db2.gz BZOAVPBKPRHDMJ-CHWSQXEVSA-N 2 0 339.440 -0.636 20 0 EBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)NCc1cccnc1 ZINC001482169484 1126090067 /nfs/dbraw/zinc/09/00/67/1126090067.db2.gz TWVMSCGHHJUPQI-GDBMZVCRSA-N 2 0 347.463 -0.009 20 0 EBADRP O=C(NCC1([NH2+][C@@H]2CCC(=O)NC2=O)CCCC1)C12CC[NH+](CC1)C2 ZINC001482235954 1126109713 /nfs/dbraw/zinc/10/97/13/1126109713.db2.gz YVBKKGATZOUGAT-CYBMUJFWSA-N 2 0 348.447 -0.094 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001482431700 1126148864 /nfs/dbraw/zinc/14/88/64/1126148864.db2.gz DQOPNTGZUOZIKQ-CHWSQXEVSA-N 2 0 339.440 -0.684 20 0 EBADRP CC[N@H+](CCNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)C1CC1 ZINC001648970099 1126178880 /nfs/dbraw/zinc/17/88/80/1126178880.db2.gz GKEFTTFFTCJJFX-MRVWCRGKSA-N 2 0 329.466 -0.390 20 0 EBADRP CC(C)[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC(=O)NC(N)=O ZINC001482532288 1126191607 /nfs/dbraw/zinc/19/16/07/1126191607.db2.gz QUJQWTXVFYRIFB-STQMWFEESA-N 2 0 339.440 -0.747 20 0 EBADRP O=C([C@H]1CC(=O)N(C2C[NH2+]C2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC001648975893 1126205641 /nfs/dbraw/zinc/20/56/41/1126205641.db2.gz DPJSNMPOPWRLOG-ZDUSSCGKSA-N 2 0 329.404 -0.450 20 0 EBADRP C[NH+]1CCN(c2cc(CNC(=O)[C@@]3(C)C[C@@H](O)C[NH2+]3)ccn2)CC1 ZINC001648976592 1126218042 /nfs/dbraw/zinc/21/80/42/1126218042.db2.gz QAOBXDZKANDTQN-RHSMWYFYSA-N 2 0 333.436 -0.438 20 0 EBADRP O=C(N1CC[C@]2(C1)CCC[NH2+]C2)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001648981295 1126226395 /nfs/dbraw/zinc/22/63/95/1126226395.db2.gz OPPZGJLOYNQGBQ-CFVMTHIKSA-N 2 0 327.450 -0.777 20 0 EBADRP CS(=O)(=O)CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cn1ccnc1 ZINC001482699933 1126253738 /nfs/dbraw/zinc/25/37/38/1126253738.db2.gz XBFAZMYJDNBNGQ-OLZOCXBDSA-N 2 0 328.438 -0.198 20 0 EBADRP CC(C)CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482730923 1126261853 /nfs/dbraw/zinc/26/18/53/1126261853.db2.gz JPJANTUUAFAUNB-MGPQQGTHSA-N 2 0 328.457 -0.835 20 0 EBADRP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001482730335 1126269305 /nfs/dbraw/zinc/26/93/05/1126269305.db2.gz XBIMETPLYXNCHL-HIFRSBDPSA-N 2 0 340.468 -0.546 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001482737151 1126271706 /nfs/dbraw/zinc/27/17/06/1126271706.db2.gz GMWSZVIRQVQUBU-ZDUSSCGKSA-N 2 0 328.457 -0.596 20 0 EBADRP Cc1ncc(C[NH2+]C[C@H](O)CNC(=O)C23CCC[NH+]2CCC3)cn1 ZINC001482747615 1126276891 /nfs/dbraw/zinc/27/68/91/1126276891.db2.gz LMWVAIJREIMFPS-HNNXBMFYSA-N 2 0 333.436 -0.020 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)Nc2ccon2)C1 ZINC001482767165 1126277198 /nfs/dbraw/zinc/27/71/98/1126277198.db2.gz LKGLUMYKAHEDAU-NEPJUHHUSA-N 2 0 339.396 -0.978 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CC2)CC[N@@H+]1C ZINC001482761151 1126279856 /nfs/dbraw/zinc/27/98/56/1126279856.db2.gz HFDVWLJAPQHYCQ-SGMGOOAPSA-N 2 0 326.441 -0.938 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCC2)C1 ZINC001482762353 1126280585 /nfs/dbraw/zinc/28/05/85/1126280585.db2.gz OSNYYUOLQSEBNX-CABCVRRESA-N 2 0 340.468 -0.593 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)Nc2ccccc2)C1 ZINC001482792475 1126288439 /nfs/dbraw/zinc/28/84/39/1126288439.db2.gz ZOKROOCXBWFHBW-ZFWWWQNUSA-N 2 0 334.420 -0.357 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@@H](O)C[NH2+]C[C@@H](O)CC(F)(F)F ZINC001482793933 1126292983 /nfs/dbraw/zinc/29/29/83/1126292983.db2.gz UAAVDTCVRJAWGN-QWRGUYRKSA-N 2 0 327.347 -0.538 20 0 EBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001648990196 1126317751 /nfs/dbraw/zinc/31/77/51/1126317751.db2.gz IZZMVBVEBPTJFH-KRWDZBQOSA-N 2 0 337.468 -0.019 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CC1CC(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001409268865 1126328275 /nfs/dbraw/zinc/32/82/75/1126328275.db2.gz AWSOPGOOJCOYDC-WXRRBKDZSA-N 2 0 341.456 -0.343 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC(=O)NC)CC[N@@H+]1C ZINC001483128638 1126338409 /nfs/dbraw/zinc/33/84/09/1126338409.db2.gz IKOLJOACTZPOOA-GRYCIOLGSA-N 2 0 327.429 -0.733 20 0 EBADRP C[NH+](C)CCC(=O)N1CCCCC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001691628673 1126346501 /nfs/dbraw/zinc/34/65/01/1126346501.db2.gz ACTIQCIMZSDBCB-AWEZNQCLSA-N 2 0 348.513 -0.152 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001483198007 1126352647 /nfs/dbraw/zinc/35/26/47/1126352647.db2.gz UHMCSENNQWOIDF-GFCCVEGCSA-N 2 0 339.440 -0.982 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001483236687 1126383948 /nfs/dbraw/zinc/38/39/48/1126383948.db2.gz PKWQVWWRIUJUMJ-STQMWFEESA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001409645128 1126387293 /nfs/dbraw/zinc/38/72/93/1126387293.db2.gz OLQQRVYTJOUWFC-GHMZBOCLSA-N 2 0 325.413 -0.898 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)Nc1nncs1)NC(=O)C1CC[NH+](C)CC1 ZINC001483262352 1126411520 /nfs/dbraw/zinc/41/15/20/1126411520.db2.gz YCGMZMMORZRYOC-JTQLQIEISA-N 2 0 340.453 -0.087 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001483439297 1126428083 /nfs/dbraw/zinc/42/80/83/1126428083.db2.gz APZXVKWRZGGHER-CHWSQXEVSA-N 2 0 341.456 -0.212 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001483742023 1126467560 /nfs/dbraw/zinc/46/75/60/1126467560.db2.gz DWHKCNPENLYIDU-QWHCGFSZSA-N 2 0 336.436 -0.096 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1([NH2+][C@H]2CCCNC2=O)CC1 ZINC001483791216 1126477489 /nfs/dbraw/zinc/47/74/89/1126477489.db2.gz SJFMFRLCHQPPAR-KBPBESRZSA-N 2 0 338.452 -0.528 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001483955401 1126493214 /nfs/dbraw/zinc/49/32/14/1126493214.db2.gz HJQVPPSOFMQSFJ-KBPBESRZSA-N 2 0 336.436 -0.332 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(C)(NC(=O)CCC[NH+](C)C)CC1 ZINC001483973161 1126494387 /nfs/dbraw/zinc/49/43/87/1126494387.db2.gz TWHXAGUXDAUDLU-LBPRGKRZSA-N 2 0 341.456 -0.118 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001484086097 1126505944 /nfs/dbraw/zinc/50/59/44/1126505944.db2.gz DSLZOFREPYENBA-WMLDXEAASA-N 2 0 340.468 -0.330 20 0 EBADRP COCCOCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001484209923 1126520692 /nfs/dbraw/zinc/52/06/92/1126520692.db2.gz ZJXBMCWRKMLQPS-HOCLYGCPSA-N 2 0 329.441 -0.703 20 0 EBADRP C[N@H+](CC(=O)NC[C@]1(O)CC[NH+]([C@H]2CCCNC2=O)C1)C1CCC1 ZINC001484222989 1126525703 /nfs/dbraw/zinc/52/57/03/1126525703.db2.gz JCBQTDHOAGIVOB-WMLDXEAASA-N 2 0 338.452 -0.698 20 0 EBADRP CNC(=O)CN1CC[C@@](O)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001484230038 1126531972 /nfs/dbraw/zinc/53/19/72/1126531972.db2.gz OWBMNJXBVQIDQE-MRXNPFEDSA-N 2 0 326.441 -0.840 20 0 EBADRP C[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001484339637 1126564031 /nfs/dbraw/zinc/56/40/31/1126564031.db2.gz YTWSYRLPVYYGTG-NWDGAFQWSA-N 2 0 339.440 -0.508 20 0 EBADRP O=C(N1C[C@@H]2C[N@H+](CCOCCO)C[C@@H]2C1)[C@@]12CC[NH+](C1)CCC2 ZINC001484414163 1126571495 /nfs/dbraw/zinc/57/14/95/1126571495.db2.gz BJCHUAQASNKUDV-JZXOWHBKSA-N 2 0 337.464 -0.129 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(CCO)CC[NH2+][C@H]2CCNC2=O)C1 ZINC001484491482 1126594119 /nfs/dbraw/zinc/59/41/19/1126594119.db2.gz RLZCBJJLWLKFEQ-CABCVRRESA-N 2 0 340.468 -0.593 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(CCO)CC[NH2+][C@H]2CCCNC2=O)C1 ZINC001484493931 1126596945 /nfs/dbraw/zinc/59/69/45/1126596945.db2.gz MWOWZFIGQXWBKI-KBPBESRZSA-N 2 0 326.441 -0.983 20 0 EBADRP C[NH+]1CCC(CC(=O)N(CCO)CC[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001484495367 1126597516 /nfs/dbraw/zinc/59/75/16/1126597516.db2.gz KKOAMPYSCUIOCI-OAHLLOKOSA-N 2 0 340.468 -0.593 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]CC(=O)NCC)C1 ZINC001484678319 1126618856 /nfs/dbraw/zinc/61/88/56/1126618856.db2.gz KPENFQJJLOMABI-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H](C[NH2+]CCn3cncn3)C2)C1 ZINC001484692905 1126619962 /nfs/dbraw/zinc/61/99/62/1126619962.db2.gz PWWCQZYBANAULA-GJZGRUSLSA-N 2 0 336.440 -0.563 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCO1 ZINC001484695784 1126624728 /nfs/dbraw/zinc/62/47/28/1126624728.db2.gz IRSVTWYAOGXAAM-HUUCEWRRSA-N 2 0 340.468 -0.330 20 0 EBADRP CN(CCC[N@H+](C)CC(=O)N1CCOCC1)C(=O)[C@@H]1CCC[NH+]1C ZINC001484736507 1126629078 /nfs/dbraw/zinc/62/90/78/1126629078.db2.gz MGOKYQBJLBCYIG-HNNXBMFYSA-N 2 0 340.468 -0.280 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@](CO)([NH2+]CC(N)=O)C2)C1 ZINC001484847423 1126641361 /nfs/dbraw/zinc/64/13/61/1126641361.db2.gz GRHODMKFZIAMMT-RHSMWYFYSA-N 2 0 340.468 -0.463 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@](CO)([NH2+]CC(=O)N(C)C)C1 ZINC001484853649 1126644743 /nfs/dbraw/zinc/64/47/43/1126644743.db2.gz GRVVKZUCVLLCKB-INIZCTEOSA-N 2 0 328.457 -0.641 20 0 EBADRP CC[C@H](C(=O)NC1(C[NH2+]CCn2cncn2)CCOCC1)[NH+](C)C ZINC001484871083 1126647559 /nfs/dbraw/zinc/64/75/59/1126647559.db2.gz RRONJSRJAJLCJM-CQSZACIVSA-N 2 0 338.456 -0.127 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+][C@@H]2CCCNC2=O)CCOCC1 ZINC001484873061 1126648121 /nfs/dbraw/zinc/64/81/21/1126648121.db2.gz TVTAHVSKEHJCQJ-CQSZACIVSA-N 2 0 340.468 -0.140 20 0 EBADRP C[C@@H]([NH2+]CC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)CCOCC1)C(N)=O ZINC001484867820 1126648728 /nfs/dbraw/zinc/64/87/28/1126648728.db2.gz QZPLPYHFOYNMQE-OLZOCXBDSA-N 2 0 326.441 -0.401 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(O)(C[NH2+]CC(=O)N3CCC3)CC2)C1 ZINC001484964914 1126657326 /nfs/dbraw/zinc/65/73/26/1126657326.db2.gz WSZFVDQNQLEHKS-AWEZNQCLSA-N 2 0 338.452 -0.887 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(O)(C[NH2+]C[C@H]3CCOC3)CC2)C1 ZINC001484964334 1126657139 /nfs/dbraw/zinc/65/71/39/1126657139.db2.gz IDIYNZVLUJVULC-CABCVRRESA-N 2 0 325.453 -0.082 20 0 EBADRP C[C@@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCN1C(=O)CCC1=O ZINC001485001448 1126662074 /nfs/dbraw/zinc/66/20/74/1126662074.db2.gz MKVWNAGJGGVKEW-UONOGXRCSA-N 2 0 338.452 -0.038 20 0 EBADRP C[C@@H]([NH2+]CCCN1C(=O)CNC1=O)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001485229652 1126682913 /nfs/dbraw/zinc/68/29/13/1126682913.db2.gz ZSVBGXLTCHOOTC-OLZOCXBDSA-N 2 0 339.440 -0.493 20 0 EBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC001485347206 1126691742 /nfs/dbraw/zinc/69/17/42/1126691742.db2.gz GGJRNLIOVTWGOO-LBPRGKRZSA-N 2 0 341.456 -0.295 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(OCCC[NH2+]CC(N)=O)CC1 ZINC001485442833 1126717541 /nfs/dbraw/zinc/71/75/41/1126717541.db2.gz CBIGEEZNXPRQKF-HNNXBMFYSA-N 2 0 340.468 -0.057 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@H]([C@H](C)[NH2+]CC(=O)N(C)C)C1 ZINC001485647257 1126789746 /nfs/dbraw/zinc/78/97/46/1126789746.db2.gz AEMGMUAFYYIVNX-KBPBESRZSA-N 2 0 328.457 -0.378 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001485684468 1126798679 /nfs/dbraw/zinc/79/86/79/1126798679.db2.gz CZLBQSLWHMRYJW-AVGNSLFASA-N 2 0 339.440 -0.460 20 0 EBADRP C[C@H](CCC[NH2+]CC(=O)NC(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001485730804 1126817316 /nfs/dbraw/zinc/81/73/16/1126817316.db2.gz NMUYQZKZHMDVQG-GFCCVEGCSA-N 2 0 339.440 -0.316 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCOCC[NH+](C)[C@H]1CCNC1=O ZINC001485775397 1126835172 /nfs/dbraw/zinc/83/51/72/1126835172.db2.gz FHZYIZMBFZMRAF-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001485955224 1126921334 /nfs/dbraw/zinc/92/13/34/1126921334.db2.gz HTASBEJYDPHNGL-VXGBXAGGSA-N 2 0 339.440 -0.637 20 0 EBADRP Cc1noc(CCC[NH2+][C@H](CO)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001485982695 1126948183 /nfs/dbraw/zinc/94/81/83/1126948183.db2.gz NMPFBWSQTQPFRQ-QWHCGFSZSA-N 2 0 325.413 -0.528 20 0 EBADRP Cc1nn(C)cc1C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001485998744 1126961647 /nfs/dbraw/zinc/96/16/47/1126961647.db2.gz ZNKRVCAQBIAEDC-CVEARBPZSA-N 2 0 335.452 -0.363 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CCNC(=O)NC(C)(C)C)C1 ZINC001486062611 1127013106 /nfs/dbraw/zinc/01/31/06/1127013106.db2.gz XMUFIXOSKNEENK-CHWSQXEVSA-N 2 0 343.472 -0.898 20 0 EBADRP Cn1ccc(C[NH2+][C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)cc1=O ZINC001486051984 1127020940 /nfs/dbraw/zinc/02/09/40/1127020940.db2.gz APGLKYHUWLWEOS-AWEZNQCLSA-N 2 0 334.420 -0.952 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@@H]1C ZINC001486086213 1127029279 /nfs/dbraw/zinc/02/92/79/1127029279.db2.gz UOQVOBMEJXKXAP-VXGBXAGGSA-N 2 0 327.429 -0.637 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001486125809 1127037725 /nfs/dbraw/zinc/03/77/25/1127037725.db2.gz BSJUUDKQROWJAG-STQMWFEESA-N 2 0 341.456 -0.247 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001486284351 1127081118 /nfs/dbraw/zinc/08/11/18/1127081118.db2.gz HGWPTOYVUNEZQI-KGLIPLIRSA-N 2 0 340.468 -0.594 20 0 EBADRP CN(C[C@H](O)C[N@H+](C)CCc1cnn(C)c1)C(=O)C12CC[NH+](CC1)C2 ZINC001486354818 1127149378 /nfs/dbraw/zinc/14/93/78/1127149378.db2.gz DMAABJIYUZVMKY-MRXNPFEDSA-N 2 0 349.479 -0.191 20 0 EBADRP C[C@H](NC(=O)C[NH+]1CCCC1)C1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001486450092 1127176907 /nfs/dbraw/zinc/17/69/07/1127176907.db2.gz BAZVMSXOECBGFW-LBPRGKRZSA-N 2 0 339.440 -0.506 20 0 EBADRP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001486450724 1127177072 /nfs/dbraw/zinc/17/70/72/1127177072.db2.gz NZOHRVQFNYBFRX-AAEUAGOBSA-N 2 0 339.440 -0.650 20 0 EBADRP CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001410076912 1127542906 /nfs/dbraw/zinc/54/29/06/1127542906.db2.gz LWGAORVCYNTBOJ-FPCVCCKLSA-N 2 0 334.464 -0.242 20 0 EBADRP CC[C@@H](C(=O)N1CCC([N@H+](C)CC(=O)NC(N)=O)CC1)[NH+](C)C ZINC001410256426 1127660521 /nfs/dbraw/zinc/66/05/21/1127660521.db2.gz YVDWGQXZRHMWBI-LBPRGKRZSA-N 2 0 327.429 -0.556 20 0 EBADRP CC[C@@H]([NH2+][C@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2)C(N)=O ZINC001410673492 1127805090 /nfs/dbraw/zinc/80/50/90/1127805090.db2.gz SHIRUHBOBJJGSR-QWHCGFSZSA-N 2 0 326.441 -0.807 20 0 EBADRP Cc1nnc([C@H](C)N[C@H](CO)CNC(=O)C23CCC[NH+]2CCC3)[nH]1 ZINC001410681815 1127810605 /nfs/dbraw/zinc/81/06/05/1127810605.db2.gz CWDQRHPHFLSTFD-AAEUAGOBSA-N 2 0 336.440 -0.131 20 0 EBADRP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001410723619 1127841099 /nfs/dbraw/zinc/84/10/99/1127841099.db2.gz KNUQJTBTZKKJEV-OAGGEKHMSA-N 2 0 348.447 -0.856 20 0 EBADRP C[C@@H](C[NH2+][C@H](CO)CNC(=O)C1CC[NH+](C)CC1)CS(C)(=O)=O ZINC001410740868 1127854860 /nfs/dbraw/zinc/85/48/60/1127854860.db2.gz XZIBRRWULGYJRF-JSGCOSHPSA-N 2 0 349.497 -0.924 20 0 EBADRP CC[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCC(C)CC1)[NH+](C)C ZINC001410749030 1127860421 /nfs/dbraw/zinc/86/04/21/1127860421.db2.gz HHYJDGDEPWCYRL-HUUCEWRRSA-N 2 0 342.484 -0.348 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC2CCCC2)C1 ZINC001410756797 1127864968 /nfs/dbraw/zinc/86/49/68/1127864968.db2.gz RGLYTIOZYJSDSU-DZGCQCFKSA-N 2 0 340.468 -0.546 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC2CCCC2)C1 ZINC001410756800 1127865247 /nfs/dbraw/zinc/86/52/47/1127865247.db2.gz RGLYTIOZYJSDSU-HIFRSBDPSA-N 2 0 340.468 -0.546 20 0 EBADRP CCN1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cnccc2C)C1 ZINC001410782836 1127886488 /nfs/dbraw/zinc/88/64/88/1127886488.db2.gz KFHGJKYMYNVQOS-JKSUJKDBSA-N 2 0 336.436 -0.323 20 0 EBADRP NC(=O)C[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C(F)(F)F ZINC001411026980 1127978745 /nfs/dbraw/zinc/97/87/45/1127978745.db2.gz USQQBPDOGQNKOC-WDEREUQCSA-N 2 0 348.369 -0.206 20 0 EBADRP CCn1nncc1C[NH2+]C[C@@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001411047473 1127986293 /nfs/dbraw/zinc/98/62/93/1127986293.db2.gz VBVISYSULJFSOI-CQSZACIVSA-N 2 0 338.456 -0.309 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001411086229 1128009222 /nfs/dbraw/zinc/00/92/22/1128009222.db2.gz RYMQMGDEHQWLFM-JHJVBQTASA-N 2 0 337.424 -0.600 20 0 EBADRP COc1ncccc1C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001411139270 1128033562 /nfs/dbraw/zinc/03/35/62/1128033562.db2.gz NAYIBVBKUPXQSJ-CABCVRRESA-N 2 0 336.436 -0.049 20 0 EBADRP Cn1[nH]c(C2CC[NH2+]CC2)nc1=NC(=O)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001649149573 1128138632 /nfs/dbraw/zinc/13/86/32/1128138632.db2.gz VFWFZMBILFBBPV-WBMJQRKESA-N 2 0 334.424 -0.731 20 0 EBADRP CN(C)[C@@H](Cn1cccn1)C(=O)N1C[C@H]2C[N@H+](CCCO)C[C@@]2(C)C1 ZINC001091736974 1128151464 /nfs/dbraw/zinc/15/14/64/1128151464.db2.gz GOTAIRCAJNILIO-RYRKJORJSA-N 2 0 349.479 -0.024 20 0 EBADRP C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001092842663 1128278616 /nfs/dbraw/zinc/27/86/16/1128278616.db2.gz JRXKSXXPUNFHKD-LZLPTKFFSA-N 2 0 336.436 -0.981 20 0 EBADRP C[C@H](NC(=O)c1cnn2cc(CC[NH3+])cnc12)[C@H]1C[N@H+](C)CCN1C ZINC001649157100 1128343548 /nfs/dbraw/zinc/34/35/48/1128343548.db2.gz LJHXWQVKQXOSSS-SWLSCSKDSA-N 2 0 345.451 -0.405 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187835151 1128355956 /nfs/dbraw/zinc/35/59/56/1128355956.db2.gz OGESERQCCUIADY-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001487893682 1128444099 /nfs/dbraw/zinc/44/40/99/1128444099.db2.gz RUCFPHOXBHSWIT-LSDHHAIUSA-N 2 0 342.484 -0.131 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H](CO)CNC(=O)CC1CC[NH+](C)CC1 ZINC001487998108 1128534208 /nfs/dbraw/zinc/53/42/08/1128534208.db2.gz NRBNUADYBWGHHD-HNNXBMFYSA-N 2 0 342.484 -0.348 20 0 EBADRP CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)C1([NH+](C)C)CCC1 ZINC001488370088 1128707896 /nfs/dbraw/zinc/70/78/96/1128707896.db2.gz NJZANNAMUZFQAI-KGLIPLIRSA-N 2 0 340.468 -0.642 20 0 EBADRP COCCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001488536141 1128783513 /nfs/dbraw/zinc/78/35/13/1128783513.db2.gz LPVCMKVQXBGLBO-LSDHHAIUSA-N 2 0 340.468 -0.519 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001488805726 1128847370 /nfs/dbraw/zinc/84/73/70/1128847370.db2.gz UXVJDFSNKDQQFV-GASCZTMLSA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001489367297 1128967734 /nfs/dbraw/zinc/96/77/34/1128967734.db2.gz ITURVQFMNBLNOI-RBSFLKMASA-N 2 0 340.468 -0.500 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1)[NH+](C)C ZINC001489380976 1128971857 /nfs/dbraw/zinc/97/18/57/1128971857.db2.gz DNAATRVNHNUOQI-QLFBSQMISA-N 2 0 342.484 -0.254 20 0 EBADRP CN(CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C)S(C)(=O)=O ZINC001490165204 1129119657 /nfs/dbraw/zinc/11/96/57/1129119657.db2.gz QIHIXIBHDXLPNI-ZDUSSCGKSA-N 2 0 334.486 -0.590 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001490206819 1129126502 /nfs/dbraw/zinc/12/65/02/1129126502.db2.gz ZQCGUJBLBGSLBF-LBPRGKRZSA-N 2 0 341.456 -0.247 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001490214983 1129127606 /nfs/dbraw/zinc/12/76/06/1129127606.db2.gz GADHTEGPCIWNOA-RYUDHWBXSA-N 2 0 327.429 -0.508 20 0 EBADRP CO[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)Cn1ccnc1 ZINC001414042736 1131345050 /nfs/dbraw/zinc/34/50/50/1131345050.db2.gz ZWOILLVMYUAAIT-ZIAGYGMSSA-N 2 0 337.424 -0.433 20 0 EBADRP C[C@H](O)C[NH+]1CCN(CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001490515206 1129218209 /nfs/dbraw/zinc/21/82/09/1129218209.db2.gz NSVQAXUGWUBVQO-HOTGVXAUSA-N 2 0 342.484 -0.931 20 0 EBADRP C[C@@H]([NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1)C(=O)NC(N)=O ZINC001490741494 1129251405 /nfs/dbraw/zinc/25/14/05/1129251405.db2.gz VNYRKQNGMIBCSN-PWSUYJOCSA-N 2 0 325.413 -0.850 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC(CCO)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001411749285 1129365951 /nfs/dbraw/zinc/36/59/51/1129365951.db2.gz GXLGPAGRTWIZKK-CQSZACIVSA-N 2 0 340.468 -0.500 20 0 EBADRP C[C@@H](CNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)C[NH+]1CCN(C)CC1 ZINC001411750397 1129366458 /nfs/dbraw/zinc/36/64/58/1129366458.db2.gz DJGBRQHYJGRSAB-ARFHVFGLSA-N 2 0 326.485 -0.169 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001480550470 1131389353 /nfs/dbraw/zinc/38/93/53/1131389353.db2.gz ZHYJAKXHPTYHTC-STQMWFEESA-N 2 0 341.456 -0.201 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](CO)CNC(=O)C[NH+]2CCCC2)C1 ZINC001412851506 1129733136 /nfs/dbraw/zinc/73/31/36/1129733136.db2.gz FIDOAUHAXPIRAR-ZIAGYGMSSA-N 2 0 326.441 -0.983 20 0 EBADRP CC[C@H](C(=O)NC[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1)[NH+](C)C ZINC001413283911 1129989178 /nfs/dbraw/zinc/98/91/78/1129989178.db2.gz BUWJCRXXJZMYKP-LSDHHAIUSA-N 2 0 342.484 -0.396 20 0 EBADRP CN1CCN(c2cc[nH+]c(NC(=O)[C@@H]3CC(=O)NC(=O)N3)c2)CC1 ZINC001413395017 1130071027 /nfs/dbraw/zinc/07/10/27/1130071027.db2.gz JILLLGHPBUECMD-NSHDSACASA-N 2 0 332.364 -0.630 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001490902993 1130234096 /nfs/dbraw/zinc/23/40/96/1130234096.db2.gz KBEFZJMIKMUFOF-CYDGBPFRSA-N 2 0 337.424 -0.565 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001490958393 1130273753 /nfs/dbraw/zinc/27/37/53/1130273753.db2.gz XLSGZVRWBDKXKJ-JOCQHMNTSA-N 2 0 334.486 -0.545 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001491023885 1130294538 /nfs/dbraw/zinc/29/45/38/1130294538.db2.gz WCHNWFVVPYXYQJ-RNJOBUHISA-N 2 0 342.415 -0.292 20 0 EBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001491064220 1130310086 /nfs/dbraw/zinc/31/00/86/1130310086.db2.gz VQZDWQLNSDUHLN-FPMFFAJLSA-N 2 0 336.440 -0.570 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001491120715 1130331879 /nfs/dbraw/zinc/33/18/79/1130331879.db2.gz SYPFDPLVJFUGSK-CQSZACIVSA-N 2 0 338.452 -0.085 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCCNC(=O)C[NH+]2CCCC2)CC1 ZINC001491320222 1130398610 /nfs/dbraw/zinc/39/86/10/1130398610.db2.gz WPNSTBLKXCLZFQ-UHFFFAOYSA-N 2 0 326.441 -0.575 20 0 EBADRP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H](C)CNC(=O)[C@H]1CN(C)CCO1 ZINC001413792180 1130492143 /nfs/dbraw/zinc/49/21/43/1130492143.db2.gz QKEBXWJYWDOSHO-RBSFLKMASA-N 2 0 340.468 -0.236 20 0 EBADRP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCN1CCNC1=O ZINC001491545290 1130495799 /nfs/dbraw/zinc/49/57/99/1130495799.db2.gz BIFZNIFXHDGGPN-ZDUSSCGKSA-N 2 0 325.457 -0.020 20 0 EBADRP CCOC(=O)C1=C(NS(=O)(=O)CC2CC[NH2+]CC2)CC[NH2+]C1 ZINC001238613625 1130532925 /nfs/dbraw/zinc/53/29/25/1130532925.db2.gz DLDDXWQJEFFSEL-UHFFFAOYSA-N 2 0 331.438 -0.284 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC(N)=O)C1 ZINC001492071849 1130579448 /nfs/dbraw/zinc/57/94/48/1130579448.db2.gz FNBURRDBZMVJDE-CHWSQXEVSA-N 2 0 341.456 -0.212 20 0 EBADRP C[C@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCN1C(=O)CCC1=O ZINC001492110632 1130582805 /nfs/dbraw/zinc/58/28/05/1130582805.db2.gz MKVWNAGJGGVKEW-ZIAGYGMSSA-N 2 0 338.452 -0.038 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001480120712 1130760302 /nfs/dbraw/zinc/76/03/02/1130760302.db2.gz QLJUXGCATXRUFQ-UONOGXRCSA-N 2 0 348.513 -0.298 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001416736368 1130778742 /nfs/dbraw/zinc/77/87/42/1130778742.db2.gz AHVBKRNHDGNEFK-SWLSCSKDSA-N 2 0 349.435 -0.551 20 0 EBADRP CC(C)(C(=O)NC[C@@H](O)CNC(=O)C[NH+]1CCCC1)[NH+]1CCCC1 ZINC001416757560 1130793637 /nfs/dbraw/zinc/79/36/37/1130793637.db2.gz JWMFPWZQYGKTTK-AWEZNQCLSA-N 2 0 340.468 -0.450 20 0 EBADRP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001480459980 1130816055 /nfs/dbraw/zinc/81/60/55/1130816055.db2.gz QIJAMOPSOYYENE-STQMWFEESA-N 2 0 334.486 -0.497 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1O ZINC001413971496 1130877595 /nfs/dbraw/zinc/87/75/95/1130877595.db2.gz FDLLKDMVSOPLNT-BFHYXJOUSA-N 2 0 349.435 -0.486 20 0 EBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]2[NH2+]CC23CCOCC3)C1 ZINC001357150179 1131054674 /nfs/dbraw/zinc/05/46/74/1131054674.db2.gz FJKVMRZZSARRCJ-KBPBESRZSA-N 2 0 338.452 -0.541 20 0 EBADRP COCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001357487045 1131096698 /nfs/dbraw/zinc/09/66/98/1131096698.db2.gz PAZJCGDEFRCBQB-CQSZACIVSA-N 2 0 326.441 -0.636 20 0 EBADRP C[N@H+](CC(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@@H]1CCC[C@H]1O ZINC001362391355 1131574078 /nfs/dbraw/zinc/57/40/78/1131574078.db2.gz VLVMTLXEYXMZOH-HUUCEWRRSA-N 2 0 326.485 -0.026 20 0 EBADRP CC[NH+]1CCC(N2CCCN(C(=O)[C@H](CO)NC(N)=O)CC2)CC1 ZINC001363452403 1131955048 /nfs/dbraw/zinc/95/50/48/1131955048.db2.gz IZENQUNCWFFICJ-AWEZNQCLSA-N 2 0 341.456 -0.966 20 0 EBADRP C[NH+]1CCN(C2CC[NH+](C[C@@H](O)C[C@]3(O)CCOC3)CC2)CC1 ZINC001364477607 1132332113 /nfs/dbraw/zinc/33/21/13/1132332113.db2.gz VIIIFTAPRGEXAD-DLBZAZTESA-N 2 0 327.469 -0.399 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2nnnn2CC1 ZINC001364671348 1132389116 /nfs/dbraw/zinc/38/91/16/1132389116.db2.gz DTPPPBGMYROOSV-CYBMUJFWSA-N 2 0 338.460 -0.487 20 0 EBADRP CC[NH+]1CCC(CN(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001364684094 1132392178 /nfs/dbraw/zinc/39/21/78/1132392178.db2.gz PCGZQPIIWRRWGC-AWEZNQCLSA-N 2 0 331.482 -0.047 20 0 EBADRP CC[N@H+](C)[C@H]1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC001365752720 1132791087 /nfs/dbraw/zinc/79/10/87/1132791087.db2.gz ACOBPOPSIHNWJR-HNNXBMFYSA-N 2 0 332.514 -0.020 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1)C(=O)NC(N)=O ZINC001365813701 1132813851 /nfs/dbraw/zinc/81/38/51/1132813851.db2.gz BBLPBNPBRWTHOA-WUHRBBMRSA-N 2 0 339.440 -0.462 20 0 EBADRP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NC ZINC001365862928 1132839895 /nfs/dbraw/zinc/83/98/95/1132839895.db2.gz YAQKIFCKRDQWNH-MGPQQGTHSA-N 2 0 326.441 -0.863 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001366090416 1132997350 /nfs/dbraw/zinc/99/73/50/1132997350.db2.gz DCWQZXGHZKRKGD-LBPRGKRZSA-N 2 0 339.440 -0.493 20 0 EBADRP O=C(C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1)NC1CCOCC1 ZINC001366102903 1133006283 /nfs/dbraw/zinc/00/62/83/1133006283.db2.gz MPIAEEGNSHAMGH-HNNXBMFYSA-N 2 0 338.452 -0.432 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001366107203 1133008809 /nfs/dbraw/zinc/00/88/09/1133008809.db2.gz BDJCBJARNKXCMR-FIQHERPVSA-N 2 0 325.413 -0.839 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1)C(=O)NC(N)=O ZINC001366128225 1133018650 /nfs/dbraw/zinc/01/86/50/1133018650.db2.gz WYLOKDNDXYRESC-IJLUTSLNSA-N 2 0 341.456 -0.216 20 0 EBADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1)[NH+](C)C ZINC001366131823 1133020271 /nfs/dbraw/zinc/02/02/71/1133020271.db2.gz GSDOYMWACVKJFH-TUVASFSCSA-N 2 0 340.468 -0.141 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1)[NH+](C)C ZINC001366166532 1133035170 /nfs/dbraw/zinc/03/51/70/1133035170.db2.gz DLSBBNDXKHJZHV-MJBXVCDLSA-N 2 0 348.513 -0.299 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001366241457 1133071338 /nfs/dbraw/zinc/07/13/38/1133071338.db2.gz DUPQNEBCLRMJFB-UHFFFAOYSA-N 2 0 327.429 -0.462 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC1CCOCC1 ZINC001366312795 1133095468 /nfs/dbraw/zinc/09/54/68/1133095468.db2.gz SOGRLPQPYVNTCA-GXTWGEPZSA-N 2 0 326.441 -0.530 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001366343036 1133105856 /nfs/dbraw/zinc/10/58/56/1133105856.db2.gz HWYVEQHXGSQUOL-GFCCVEGCSA-N 2 0 339.440 -0.588 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)Nc2cnccn2)C1 ZINC001366377080 1133118301 /nfs/dbraw/zinc/11/83/01/1133118301.db2.gz IJJHIPRLRICWGX-STQMWFEESA-N 2 0 332.408 -0.300 20 0 EBADRP CCN1CCO[C@H](C(=O)N2CC[C@@H](C[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001366404367 1133132348 /nfs/dbraw/zinc/13/23/48/1133132348.db2.gz BIHMOLIDWGVDAB-GJZGRUSLSA-N 2 0 338.452 -0.623 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001366493314 1133157823 /nfs/dbraw/zinc/15/78/23/1133157823.db2.gz AWEGELHYIZXFSL-NSHDSACASA-N 2 0 325.413 -0.978 20 0 EBADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001366703982 1133262827 /nfs/dbraw/zinc/26/28/27/1133262827.db2.gz DITOPHYYTMJMCX-DZGCQCFKSA-N 2 0 340.468 -0.201 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[C@H]1CC[NH+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001366852578 1133320933 /nfs/dbraw/zinc/32/09/33/1133320933.db2.gz MHVUUGHGDBZESV-OLZOCXBDSA-N 2 0 341.456 -0.260 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CC[C@H](C[N@H+](C)CC(=O)NC(N)=O)C2)CC1 ZINC001366863694 1133329657 /nfs/dbraw/zinc/32/96/57/1133329657.db2.gz DIURWNGCQQPQHR-GFCCVEGCSA-N 2 0 339.440 -0.697 20 0 EBADRP C[N@@H+](CC(N)=O)C[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001366883798 1133341382 /nfs/dbraw/zinc/34/13/82/1133341382.db2.gz XUBIVSWKXWBYBS-CYBMUJFWSA-N 2 0 326.441 -0.637 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C[C@H](O)CN2CCCC2=O)C1 ZINC001367039199 1133445989 /nfs/dbraw/zinc/44/59/89/1133445989.db2.gz POMALDUCGKAVEQ-CABCVRRESA-N 2 0 340.468 -0.500 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)NC(=O)NC)CC1 ZINC001367200863 1133499800 /nfs/dbraw/zinc/49/98/00/1133499800.db2.gz VXJDAXQFUSVSKE-JOCQHMNTSA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@H]([NH2+]C[C@@](C)(NC(=O)C[NH+]1CCCC1)C1CC1)C(=O)NC(N)=O ZINC001367244598 1133512694 /nfs/dbraw/zinc/51/26/94/1133512694.db2.gz SFXZWSYBTLDXLQ-MEDUHNTESA-N 2 0 339.440 -0.460 20 0 EBADRP CN(CC[N@H+](C)CCN1CCNC1=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001367513476 1133608938 /nfs/dbraw/zinc/60/89/38/1133608938.db2.gz AVUQFRUKOJFQKO-HNNXBMFYSA-N 2 0 337.468 -0.256 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001367562532 1133632393 /nfs/dbraw/zinc/63/23/93/1133632393.db2.gz NKMQZOAJZSXJIW-CHWSQXEVSA-N 2 0 341.456 -0.343 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC001367562538 1133632411 /nfs/dbraw/zinc/63/24/11/1133632411.db2.gz NKMQZOAJZSXJIW-OLZOCXBDSA-N 2 0 341.456 -0.343 20 0 EBADRP Cn1cncc1C[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001367593991 1133667490 /nfs/dbraw/zinc/66/74/90/1133667490.db2.gz NARNASGBSJPKSX-HNNXBMFYSA-N 2 0 335.452 -0.137 20 0 EBADRP CO[C@H](C)C[NH2+]C[C@@H](O)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001367607559 1133686816 /nfs/dbraw/zinc/68/68/16/1133686816.db2.gz ZJXFPJWYPJQKOX-TZMCWYRMSA-N 2 0 333.392 -0.018 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001367622049 1133706548 /nfs/dbraw/zinc/70/65/48/1133706548.db2.gz TYDVZCLZPSHZMZ-LRDDRELGSA-N 2 0 346.447 -0.598 20 0 EBADRP COc1ncc(C[NH2+]C[C@@H](O)CNC(=O)C[NH+]2CCCC2)c(C)n1 ZINC001367628390 1133717092 /nfs/dbraw/zinc/71/70/92/1133717092.db2.gz UPEPVLRPRLBIFA-CQSZACIVSA-N 2 0 337.424 -0.544 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001367681411 1133744542 /nfs/dbraw/zinc/74/45/42/1133744542.db2.gz ZFGIGNOKFUANDO-GFCCVEGCSA-N 2 0 339.440 -0.445 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC[C@@H]1CCCO1)NC(=O)C1CC[NH+](C)CC1 ZINC001367694704 1133750290 /nfs/dbraw/zinc/75/02/90/1133750290.db2.gz CMFRHQOGRHADLD-HIFRSBDPSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367708552 1133755353 /nfs/dbraw/zinc/75/53/53/1133755353.db2.gz XOVTWABYCCCPOC-ZIAGYGMSSA-N 2 0 326.441 -0.719 20 0 EBADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001367758525 1133774582 /nfs/dbraw/zinc/77/45/82/1133774582.db2.gz VWAYLDXERUQZEL-LOWVWBTDSA-N 2 0 341.456 -0.202 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001367760901 1133775341 /nfs/dbraw/zinc/77/53/41/1133775341.db2.gz RMNOMKFZXCFARW-LBPRGKRZSA-N 2 0 349.435 -0.307 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]C1(CNC(=O)CC[NH+](C)C)CC1 ZINC001368019333 1133899515 /nfs/dbraw/zinc/89/95/15/1133899515.db2.gz SOOQIVFCXGTQPR-LLVKDONJSA-N 2 0 327.429 -0.589 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001368021734 1133900970 /nfs/dbraw/zinc/90/09/70/1133900970.db2.gz XWKNDBDACBUCMP-NWDGAFQWSA-N 2 0 339.440 -0.589 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001368100112 1133937102 /nfs/dbraw/zinc/93/71/02/1133937102.db2.gz AOEISGNMORJUTJ-JHJVBQTASA-N 2 0 339.440 -0.637 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C[C@H]1C ZINC001368107590 1133941622 /nfs/dbraw/zinc/94/16/22/1133941622.db2.gz ONGQRZMXJDXEGD-CHWSQXEVSA-N 2 0 341.456 -0.118 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001368109588 1133942460 /nfs/dbraw/zinc/94/24/60/1133942460.db2.gz NSJOFZCLWRDEFC-OLZOCXBDSA-N 2 0 341.456 -0.247 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@H]1CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001368128266 1133950979 /nfs/dbraw/zinc/95/09/79/1133950979.db2.gz ZKBBCYSEJOTCGR-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]([NH2+]C[C@]1(C)CCN(C(=O)COC2CC[NH+](C)CC2)C1)C(N)=O ZINC001368190986 1133985850 /nfs/dbraw/zinc/98/58/50/1133985850.db2.gz ITQKADCPNYSYOU-DYVFJYSZSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001368248592 1134023504 /nfs/dbraw/zinc/02/35/04/1134023504.db2.gz JHFXSZQTHYGSKV-XJKSGUPXSA-N 2 0 340.468 -0.500 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001368338101 1134155011 /nfs/dbraw/zinc/15/50/11/1134155011.db2.gz RTGTWIDOPAIWOP-STQMWFEESA-N 2 0 338.456 -0.223 20 0 EBADRP COC[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001368359271 1134164349 /nfs/dbraw/zinc/16/43/49/1134164349.db2.gz XRXAMJVCCGAQMZ-FZKCQIBNSA-N 2 0 325.453 -0.132 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCC[C@@](CO)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001368368590 1134172246 /nfs/dbraw/zinc/17/22/46/1134172246.db2.gz CBRYWIGURYYSPF-WMLDXEAASA-N 2 0 343.468 -0.721 20 0 EBADRP NC(=O)NC(=O)C[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CCC1 ZINC001368496312 1134252173 /nfs/dbraw/zinc/25/21/73/1134252173.db2.gz IQUMXZCIAYFEDC-UHFFFAOYSA-N 2 0 339.440 -0.314 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCO[C@H](C[NH2+]CC(=O)NC)C2)C1 ZINC001368502760 1134255943 /nfs/dbraw/zinc/25/59/43/1134255943.db2.gz DZGCNGWUVGDXGW-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001368508417 1134261273 /nfs/dbraw/zinc/26/12/73/1134261273.db2.gz HJXABSRDGOIVMF-LSDHHAIUSA-N 2 0 338.452 -0.434 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001368508414 1134261513 /nfs/dbraw/zinc/26/15/13/1134261513.db2.gz HJXABSRDGOIVMF-GJZGRUSLSA-N 2 0 338.452 -0.434 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCO1 ZINC001368524996 1134275267 /nfs/dbraw/zinc/27/52/67/1134275267.db2.gz YQSVXJFYGQHWSX-HOCLYGCPSA-N 2 0 342.484 -0.132 20 0 EBADRP CNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001368618751 1134330094 /nfs/dbraw/zinc/33/00/94/1134330094.db2.gz WFLDUFQUACORPH-RHSMWYFYSA-N 2 0 338.452 -0.983 20 0 EBADRP CNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001368620108 1134330997 /nfs/dbraw/zinc/33/09/97/1134330997.db2.gz DCLRAUFXPIUFTE-BBRMVZONSA-N 2 0 326.441 -0.840 20 0 EBADRP COC[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001368682966 1134380505 /nfs/dbraw/zinc/38/05/05/1134380505.db2.gz PBEHUXHDOCTKPV-GJZGRUSLSA-N 2 0 343.468 -0.721 20 0 EBADRP CC[N@H+](C)CCC(=O)NC1CC(C[NH2+]CC(=O)N2CCOCC2)C1 ZINC001368822804 1134455954 /nfs/dbraw/zinc/45/59/54/1134455954.db2.gz OIZADFPBNHZYMK-UHFFFAOYSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H]([NH2+]CC1CC(NC(=O)CCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001368824729 1134456824 /nfs/dbraw/zinc/45/68/24/1134456824.db2.gz ZSZRGJMMFCVPBQ-UNXYVOJBSA-N 2 0 327.429 -0.604 20 0 EBADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001368860974 1134467384 /nfs/dbraw/zinc/46/73/84/1134467384.db2.gz HAPPTBMQICHNGT-GHMZBOCLSA-N 2 0 327.429 -0.591 20 0 EBADRP C[C@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)[NH2+]CCn1cncn1 ZINC001368885463 1134475117 /nfs/dbraw/zinc/47/51/17/1134475117.db2.gz FROXFJJYZRNFFP-KBPBESRZSA-N 2 0 338.456 -0.128 20 0 EBADRP C[C@@H]([NH2+]CC(=O)NC1CC1)[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001369160325 1134600132 /nfs/dbraw/zinc/60/01/32/1134600132.db2.gz ZJRTWHLIRLYSDG-HIFRSBDPSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H](CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1)[NH2+]CC(=O)N(C)C ZINC001369258967 1134633309 /nfs/dbraw/zinc/63/33/09/1134633309.db2.gz HLDPUQHJMPNWJT-AWEZNQCLSA-N 2 0 342.484 -0.131 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCn1cncn1 ZINC001369363946 1134717273 /nfs/dbraw/zinc/71/72/73/1134717273.db2.gz OMBODCTXKDWPDG-LSDHHAIUSA-N 2 0 338.456 -0.392 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCn1cncn1 ZINC001369363937 1134717671 /nfs/dbraw/zinc/71/76/71/1134717671.db2.gz OMBODCTXKDWPDG-CABCVRRESA-N 2 0 338.456 -0.392 20 0 EBADRP COc1cncc(C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001369447865 1134786367 /nfs/dbraw/zinc/78/63/67/1134786367.db2.gz DNNXQXUQFARTJN-UONOGXRCSA-N 2 0 337.424 -0.512 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC1(C)C ZINC001369448660 1134786786 /nfs/dbraw/zinc/78/67/86/1134786786.db2.gz RWKRHTJAEVHVLX-CQSZACIVSA-N 2 0 340.468 -0.330 20 0 EBADRP Cc1nn(C)cc1C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001369467185 1134813472 /nfs/dbraw/zinc/81/34/72/1134813472.db2.gz LJVHWVRPSJFFKK-SJORKVTESA-N 2 0 349.479 -0.021 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CC(N)=O)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001369470294 1134821532 /nfs/dbraw/zinc/82/15/32/1134821532.db2.gz DZWDUBWSWPLUQX-ZDUSSCGKSA-N 2 0 328.457 -0.466 20 0 EBADRP CN(C[C@H](O)C[NH2+]Cc1cncn1C)C(=O)C12CCC[NH+]1CCC2 ZINC001369480872 1134845952 /nfs/dbraw/zinc/84/59/52/1134845952.db2.gz YWUFEOHHHSAQIC-OAHLLOKOSA-N 2 0 335.452 -0.043 20 0 EBADRP CCN1CC[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)C23CC[NH+](CC2)C3)C1=O ZINC001369489584 1134863496 /nfs/dbraw/zinc/86/34/96/1134863496.db2.gz XRTXVMKZZOGHQN-KGLIPLIRSA-N 2 0 338.452 -0.888 20 0 EBADRP C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1cccc(C[NH+](C)C)c1)C(N)=O ZINC001369490268 1134863744 /nfs/dbraw/zinc/86/37/44/1134863744.db2.gz OTLNDJZZDILRKU-SWLSCSKDSA-N 2 0 336.436 -0.356 20 0 EBADRP CC[C@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001369515587 1134912115 /nfs/dbraw/zinc/91/21/15/1134912115.db2.gz JEQVZQRKHFCRJC-HUUCEWRRSA-N 2 0 342.484 -0.267 20 0 EBADRP C[C@@H](O)CCC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001369919368 1135093861 /nfs/dbraw/zinc/09/38/61/1135093861.db2.gz RZKPOZAUENVLOZ-HZPDHXFCSA-N 2 0 326.485 -0.025 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC(CCO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001369987966 1135139532 /nfs/dbraw/zinc/13/95/32/1135139532.db2.gz FTXZZWISGFLDDG-CQSZACIVSA-N 2 0 338.452 -0.744 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C2)CC1 ZINC001370014314 1135174466 /nfs/dbraw/zinc/17/44/66/1135174466.db2.gz HBMLVIFFKJSJCC-HUUCEWRRSA-N 2 0 335.452 -0.224 20 0 EBADRP C[C@@H]([NH2+][C@@H](CNC(=O)C1([NH+](C)C)CCC1)C1CC1)C(=O)NC(N)=O ZINC001370167631 1135233335 /nfs/dbraw/zinc/23/33/35/1135233335.db2.gz MHNOPWLODDUYNI-PWSUYJOCSA-N 2 0 339.440 -0.462 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@H]([NH2+]CC(=O)N1CCOCC1)C1CC1 ZINC001370282028 1135282212 /nfs/dbraw/zinc/28/22/12/1135282212.db2.gz PAARAIFCZGLMCB-HNNXBMFYSA-N 2 0 338.452 -0.575 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC001370315682 1135299639 /nfs/dbraw/zinc/29/96/39/1135299639.db2.gz PMSPUUNPJKWUGC-CABCVRRESA-N 2 0 340.468 -0.390 20 0 EBADRP CCN(C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1)C1CC1 ZINC001370354122 1135315147 /nfs/dbraw/zinc/31/51/47/1135315147.db2.gz BBXIINIXTJTROU-DZGCQCFKSA-N 2 0 338.452 -0.482 20 0 EBADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)[NH+](C)C ZINC001370520641 1135388863 /nfs/dbraw/zinc/38/88/63/1135388863.db2.gz JUNNRXCVWWSFIY-SYQHCUMBSA-N 2 0 331.482 -0.002 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001370710843 1135532633 /nfs/dbraw/zinc/53/26/33/1135532633.db2.gz ZHXGXRRRHYDERD-HUUCEWRRSA-N 2 0 340.468 -0.593 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001370718604 1135541852 /nfs/dbraw/zinc/54/18/52/1135541852.db2.gz RIGIMMDFNYBEGB-HZSPNIEDSA-N 2 0 328.457 -0.740 20 0 EBADRP CC(C)[C@H](C(=O)N[C@@H](CO)CNC(=O)C1CC[NH+](C)CC1)[NH+](C)C ZINC001370725968 1135552575 /nfs/dbraw/zinc/55/25/75/1135552575.db2.gz OELANKSIBVVZRK-HUUCEWRRSA-N 2 0 342.484 -0.492 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H](CO)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001370756458 1135598424 /nfs/dbraw/zinc/59/84/24/1135598424.db2.gz HGYSIOUXWCUNSM-CQSZACIVSA-N 2 0 347.419 -0.117 20 0 EBADRP CC[C@H](C(=O)N[C@@H](CO)CNC(=O)C[NH+]1CCC(C)CC1)[NH+](C)C ZINC001370778616 1135624609 /nfs/dbraw/zinc/62/46/09/1135624609.db2.gz QCEPRIVBUOYGHP-HUUCEWRRSA-N 2 0 342.484 -0.348 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001370838639 1135667079 /nfs/dbraw/zinc/66/70/79/1135667079.db2.gz SVAYYEYEFYCHAN-CHWSQXEVSA-N 2 0 341.456 -0.390 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CCCC[C@@H]2C[NH2+]CC(N)=O)n1 ZINC001370914326 1135693786 /nfs/dbraw/zinc/69/37/86/1135693786.db2.gz WFGFPZBGBIFSFH-CYBMUJFWSA-N 2 0 336.440 -0.486 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NC(N)=O)[NH+](C)C ZINC001370964445 1135715322 /nfs/dbraw/zinc/71/53/22/1135715322.db2.gz OTKOBWDHXWCPEP-OCCSQVGLSA-N 2 0 341.456 -0.262 20 0 EBADRP CC[C@H](C(=O)NC[C@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1)[NH+](C)C ZINC001370996159 1135749745 /nfs/dbraw/zinc/74/97/45/1135749745.db2.gz MKGIHSRAYRZBHH-UONOGXRCSA-N 2 0 342.484 -0.254 20 0 EBADRP CC[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1)[NH+](C)C ZINC001370996152 1135749971 /nfs/dbraw/zinc/74/99/71/1135749971.db2.gz MKGIHSRAYRZBHH-KBPBESRZSA-N 2 0 342.484 -0.254 20 0 EBADRP CN(C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(=O)CCC[NH+](C)C ZINC001371059348 1135829053 /nfs/dbraw/zinc/82/90/53/1135829053.db2.gz WMEICDRERMALOE-HUUCEWRRSA-N 2 0 342.484 -0.300 20 0 EBADRP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC(=O)N1CCOCC1 ZINC001371181002 1135857758 /nfs/dbraw/zinc/85/77/58/1135857758.db2.gz VGXFBBMZBMRYEP-UKRRQHHQSA-N 2 0 338.452 -0.719 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001371206294 1135864477 /nfs/dbraw/zinc/86/44/77/1135864477.db2.gz UUTBVRJAFQMMAW-NSHDSACASA-N 2 0 327.429 -0.589 20 0 EBADRP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCN(C)S(C)(=O)=O ZINC001371240747 1135870690 /nfs/dbraw/zinc/87/06/90/1135870690.db2.gz QCUNCJNFVQFMEE-STQMWFEESA-N 2 0 334.486 -0.544 20 0 EBADRP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCN1CCCS1(=O)=O ZINC001371245003 1135871508 /nfs/dbraw/zinc/87/15/08/1135871508.db2.gz VNPHOJLJZRYCAF-ZIAGYGMSSA-N 2 0 346.497 -0.400 20 0 EBADRP Cc1ncc2n1CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(N)=O)C2 ZINC001371365737 1135897165 /nfs/dbraw/zinc/89/71/65/1135897165.db2.gz RJCVRCLRIVJYSP-MWLCHTKSSA-N 2 0 336.396 -0.957 20 0 EBADRP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1O)[NH+](C)C ZINC001371465716 1135925565 /nfs/dbraw/zinc/92/55/65/1135925565.db2.gz ACQBEHFBIJELFC-BARDWOONSA-N 2 0 342.484 -0.399 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1)[NH+](C)C ZINC001371471175 1135929278 /nfs/dbraw/zinc/92/92/78/1135929278.db2.gz VINNTDLOMJPHPD-HZSPNIEDSA-N 2 0 328.457 -0.644 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1O ZINC001371472040 1135929611 /nfs/dbraw/zinc/92/96/11/1135929611.db2.gz LDFLUPSQWRSETD-IIAWOOMASA-N 2 0 342.484 -0.398 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)CCn3ccnc3)[C@@H](O)C2)CC[N@@H+]1C ZINC001371536025 1135959413 /nfs/dbraw/zinc/95/94/13/1135959413.db2.gz CXVWFYQMHSMZDZ-TUVASFSCSA-N 2 0 349.435 -0.699 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@H](C[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001371613872 1135984457 /nfs/dbraw/zinc/98/44/57/1135984457.db2.gz ICHNVEWXLMNFNF-CVEARBPZSA-N 2 0 335.452 -0.222 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001371649870 1135992667 /nfs/dbraw/zinc/99/26/67/1135992667.db2.gz WGZVCYVXSXJSMK-RYUDHWBXSA-N 2 0 339.440 -0.460 20 0 EBADRP CN(CC[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)S(C)(=O)=O ZINC001371700738 1136006165 /nfs/dbraw/zinc/00/61/65/1136006165.db2.gz YMKGJMBVRCFUOV-AWEZNQCLSA-N 2 0 348.513 -0.248 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001372674251 1136266106 /nfs/dbraw/zinc/26/61/06/1136266106.db2.gz TUOGQIQCMHECSC-GJZGRUSLSA-N 2 0 343.493 -0.045 20 0 EBADRP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001372983922 1136346175 /nfs/dbraw/zinc/34/61/75/1136346175.db2.gz OWQDTSRPVDOIRS-CQSZACIVSA-N 2 0 336.440 -0.663 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN1CC[NH+](CCO)CC1 ZINC001373259549 1136411238 /nfs/dbraw/zinc/41/12/38/1136411238.db2.gz PKQLESXXLIUSGB-MRXNPFEDSA-N 2 0 326.485 -0.071 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1C[NH+](CCn2cncn2)C1 ZINC001373557629 1136495582 /nfs/dbraw/zinc/49/55/82/1136495582.db2.gz HZGCHOQVMHWGHT-AWEZNQCLSA-N 2 0 336.440 -0.706 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001373637997 1136522275 /nfs/dbraw/zinc/52/22/75/1136522275.db2.gz AVMXMIFYCVYGFC-UONOGXRCSA-N 2 0 346.497 -0.590 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@@](C)(NC(=O)CCN1CCOCC1)C1CC1 ZINC001373896229 1136582862 /nfs/dbraw/zinc/58/28/62/1136582862.db2.gz PVNHHCHJLRNWQP-QGZVFWFLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001374072727 1136617738 /nfs/dbraw/zinc/61/77/38/1136617738.db2.gz NCVOFVUXIKRQQM-MNOVXSKESA-N 2 0 327.429 -0.747 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001374237010 1136655342 /nfs/dbraw/zinc/65/53/42/1136655342.db2.gz YECSFNJBCSNDRC-RYUDHWBXSA-N 2 0 327.429 -0.508 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC(=O)NC1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001374271259 1136663428 /nfs/dbraw/zinc/66/34/28/1136663428.db2.gz LODWJRKOXGBCCT-DGCLKSJQSA-N 2 0 339.440 -0.495 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001374275666 1136663679 /nfs/dbraw/zinc/66/36/79/1136663679.db2.gz JIVJFHOPEYLDLY-VXGBXAGGSA-N 2 0 341.456 -0.391 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)NC[C@@H]1CCOC1)N(C)C(=O)C[NH+]1CCCC1 ZINC001374323453 1136673487 /nfs/dbraw/zinc/67/34/87/1136673487.db2.gz BQOCPLDFHYMBLL-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)Nc1cnccn1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001374329930 1136675192 /nfs/dbraw/zinc/67/51/92/1136675192.db2.gz ZJZBDXSBNXVIJN-STQMWFEESA-N 2 0 334.424 -0.197 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001374385423 1136681151 /nfs/dbraw/zinc/68/11/51/1136681151.db2.gz PBAKXWBFKGVJJL-QWHCGFSZSA-N 2 0 339.440 -0.636 20 0 EBADRP C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001374397314 1136683269 /nfs/dbraw/zinc/68/32/69/1136683269.db2.gz REJQMBPWHROABT-CHWSQXEVSA-N 2 0 338.456 -0.223 20 0 EBADRP CC(C)[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC(=O)NC(N)=O ZINC001374432675 1136687538 /nfs/dbraw/zinc/68/75/38/1136687538.db2.gz WTXOLNGQBSPWSA-LBPRGKRZSA-N 2 0 327.429 -0.747 20 0 EBADRP C[N@H+](CC(=O)NC[C@@H](O)C[NH2+]C[C@@H]1CCc2ncnn21)C1CCC1 ZINC001374617351 1136751675 /nfs/dbraw/zinc/75/16/75/1136751675.db2.gz UIXOOAFEZQBBET-KBPBESRZSA-N 2 0 336.440 -0.684 20 0 EBADRP C[C@H](C[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1)CS(C)(=O)=O ZINC001374641101 1136769056 /nfs/dbraw/zinc/76/90/56/1136769056.db2.gz IOXLHTIXVZPEQQ-OCCSQVGLSA-N 2 0 349.497 -0.924 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCCCC2)C1 ZINC001374674719 1136793338 /nfs/dbraw/zinc/79/33/38/1136793338.db2.gz JUIKTPGKOYJMBL-ZIAGYGMSSA-N 2 0 326.441 -0.983 20 0 EBADRP CCN(C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001374687473 1136802828 /nfs/dbraw/zinc/80/28/28/1136802828.db2.gz ZZGKIDFYPDIIKO-OCCSQVGLSA-N 2 0 326.441 -0.984 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001374719072 1136813044 /nfs/dbraw/zinc/81/30/44/1136813044.db2.gz GACWEEMCJNUFCF-CHWSQXEVSA-N 2 0 341.456 -0.247 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC[C@@H]1CCOC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001374800266 1136835985 /nfs/dbraw/zinc/83/59/85/1136835985.db2.gz WKMFSIVEGWKHLM-HZSPNIEDSA-N 2 0 326.441 -0.672 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001374899024 1136868626 /nfs/dbraw/zinc/86/86/26/1136868626.db2.gz RUKZKLUQOIXLFQ-XQQFMLRXSA-N 2 0 343.472 -0.099 20 0 EBADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC1CCOCC1)[NH+](C)C ZINC001374904394 1136869560 /nfs/dbraw/zinc/86/95/60/1136869560.db2.gz FNSQADFCAQBEGC-GXTWGEPZSA-N 2 0 328.457 -0.284 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001374933961 1136878883 /nfs/dbraw/zinc/87/88/83/1136878883.db2.gz RZMZVSPKLUVTNI-TUAOUCFPSA-N 2 0 329.445 -0.345 20 0 EBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000337725842 282141969 /nfs/dbraw/zinc/14/19/69/282141969.db2.gz TWFXKEBJHHBZHV-ZMSDIMECSA-N 2 0 342.484 -0.024 20 0 EBADRP C[C@@H](C(=O)N(C)C)S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000331316921 295698975 /nfs/dbraw/zinc/69/89/75/295698975.db2.gz AKSCSPYAHWCQNE-ZDUSSCGKSA-N 2 0 348.513 -0.249 20 0 EBADRP COC(=O)CNC(=O)CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371294739 291087021 /nfs/dbraw/zinc/08/70/21/291087021.db2.gz MUXQUGXCUYMCNP-HZSPNIEDSA-N 2 0 327.425 -0.151 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)CCO1 ZINC000642798401 376206948 /nfs/dbraw/zinc/20/69/48/376206948.db2.gz RCZIHGJEXVHWTP-KKUMJFAQSA-N 2 0 340.468 -0.058 20 0 EBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000643543682 375889930 /nfs/dbraw/zinc/88/99/30/375889930.db2.gz FBFOGZPUDDZXKG-KBPBESRZSA-N 2 0 328.457 -0.249 20 0 EBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)C1 ZINC000643591008 375917696 /nfs/dbraw/zinc/91/76/96/375917696.db2.gz GSOGCGXHANIKJS-CABCVRRESA-N 2 0 337.468 -0.826 20 0 EBADRP C[NH+]1CCN(C[C@H]2CN(C[C@H](O)CC3(O)CCC3)CCO2)CC1 ZINC000625152176 375988713 /nfs/dbraw/zinc/98/87/13/375988713.db2.gz KOJRMBQCHAYIMP-CVEARBPZSA-N 2 0 327.469 -0.399 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCSC1 ZINC000642768958 376088729 /nfs/dbraw/zinc/08/87/29/376088729.db2.gz VEHWPQNVUDJLFI-TYNCELHUSA-N 2 0 326.466 -0.640 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC000642732130 376056105 /nfs/dbraw/zinc/05/61/05/376056105.db2.gz APHCACBUMWAHFH-RDBSUJKOSA-N 2 0 326.441 -0.591 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000557294061 376169599 /nfs/dbraw/zinc/16/95/99/376169599.db2.gz YEUQZIKOYRYHOQ-INIZCTEOSA-N 2 0 326.441 -0.717 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000557614058 376186662 /nfs/dbraw/zinc/18/66/62/376186662.db2.gz JTYWLCIFSOYJAY-CABCVRRESA-N 2 0 338.452 -0.623 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000565882981 376226634 /nfs/dbraw/zinc/22/66/34/376226634.db2.gz XSPGTGYXHRWWFO-GJZGRUSLSA-N 2 0 339.484 -0.676 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000642854643 376425983 /nfs/dbraw/zinc/42/59/83/376425983.db2.gz OBANYWKZWZPFTI-IMJJTQAJSA-N 2 0 348.447 -0.020 20 0 EBADRP CC(C)C[C@@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)N1CCOCC1 ZINC000569568846 376458972 /nfs/dbraw/zinc/45/89/72/376458972.db2.gz PUTLLFFLKIYQIF-ROUUACIJSA-N 2 0 342.528 -0.069 20 0 EBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627357330 376661925 /nfs/dbraw/zinc/66/19/25/376661925.db2.gz CUNHLCRBLJBCHX-GASCZTMLSA-N 2 0 342.484 -0.096 20 0 EBADRP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000642903971 376685119 /nfs/dbraw/zinc/68/51/19/376685119.db2.gz PRGPTTJYXRBCLP-AWEZNQCLSA-N 2 0 331.420 -0.012 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000564981572 376743353 /nfs/dbraw/zinc/74/33/53/376743353.db2.gz MSAFYDUGWAJOHE-QWHCGFSZSA-N 2 0 328.457 -0.466 20 0 EBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919124 376751590 /nfs/dbraw/zinc/75/15/90/376751590.db2.gz OYSFXBDZKFLKKP-ZDUSSCGKSA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@@H+](C2CCC2)C1 ZINC000561204242 376815593 /nfs/dbraw/zinc/81/55/93/376815593.db2.gz MSCRKYBQIWUXRX-CQSZACIVSA-N 2 0 337.468 -0.066 20 0 EBADRP COCC[N@@H+]1CCCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000564722243 376879147 /nfs/dbraw/zinc/87/91/47/376879147.db2.gz PTKBPQWLQALNBF-AWEZNQCLSA-N 2 0 336.440 -0.003 20 0 EBADRP COCC[NH2+]CC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000564724706 376897068 /nfs/dbraw/zinc/89/70/68/376897068.db2.gz AXOWAJYABXWJLQ-KBPBESRZSA-N 2 0 326.441 -0.671 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000562871428 377013708 /nfs/dbraw/zinc/01/37/08/377013708.db2.gz MREJWDQBIVBARM-GJZGRUSLSA-N 2 0 338.452 -0.480 20 0 EBADRP COC1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000562692466 376983443 /nfs/dbraw/zinc/98/34/43/376983443.db2.gz QVYYAQJNIXBPCD-UHFFFAOYSA-N 2 0 328.457 -0.424 20 0 EBADRP CN1CCN(C(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000562820584 377001275 /nfs/dbraw/zinc/00/12/75/377001275.db2.gz ISTDEDOGOUYXBT-INIZCTEOSA-N 2 0 347.463 -0.664 20 0 EBADRP CCN1CCN(C(=O)[C@H](C)N2CCC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000364109044 377154424 /nfs/dbraw/zinc/15/44/24/377154424.db2.gz QVBKYZACQVXFIX-QWHCGFSZSA-N 2 0 332.470 -0.708 20 0 EBADRP C[N@@H+]1C[C@@H]2CCN(S(=O)(=O)CCCN3CC[NH+](C)CC3)[C@@H]2C1 ZINC000632360221 377165051 /nfs/dbraw/zinc/16/50/51/377165051.db2.gz SZAKEZMYFMICFB-LSDHHAIUSA-N 2 0 330.498 -0.410 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)CC1 ZINC000569928052 377185147 /nfs/dbraw/zinc/18/51/47/377185147.db2.gz WHRJGKYGNVXSSO-IKGGRYGDSA-N 2 0 341.496 -0.106 20 0 EBADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)[C@]12CCCO2 ZINC000570203239 377218052 /nfs/dbraw/zinc/21/80/52/377218052.db2.gz YWUDEDSFSXTIAJ-YYIAUSFCSA-N 2 0 327.469 -0.089 20 0 EBADRP [NH3+]CCCC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000570208242 377218839 /nfs/dbraw/zinc/21/88/39/377218839.db2.gz UAWJUOKFZTUEQC-UHFFFAOYSA-N 2 0 334.424 -0.299 20 0 EBADRP O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000572643323 377235984 /nfs/dbraw/zinc/23/59/84/377235984.db2.gz RGQAJDUXJGGRKL-KBPBESRZSA-N 2 0 347.415 -0.310 20 0 EBADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000570568749 377256214 /nfs/dbraw/zinc/25/62/14/377256214.db2.gz HWBBRQPTXLQKHQ-UONOGXRCSA-N 2 0 340.493 -0.248 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC[N@@H+]1C ZINC000572790742 377291611 /nfs/dbraw/zinc/29/16/11/377291611.db2.gz LLIFKSRTOYOFEH-HUUCEWRRSA-N 3 0 341.500 -0.463 20 0 EBADRP COC(=O)[C@H]1CN(C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)CC[N@H+](C)C1 ZINC000591175047 377701012 /nfs/dbraw/zinc/70/10/12/377701012.db2.gz YBEJXHKUTQKNMO-BFHYXJOUSA-N 2 0 342.440 -0.548 20 0 EBADRP COC(=O)[C@H]1CN(C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)CC[N@H+](C)C1 ZINC000591175050 377701422 /nfs/dbraw/zinc/70/14/22/377701422.db2.gz YBEJXHKUTQKNMO-MJBXVCDLSA-N 2 0 342.440 -0.548 20 0 EBADRP CC[NH+]1CCN(CCC(=O)N2CCC[NH2+]C[C@@H]2C(=O)OC)CC1 ZINC000592962370 377866199 /nfs/dbraw/zinc/86/61/99/377866199.db2.gz CVYJQQNKDQFLMX-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP CC[NH+]1CCC(NC(=O)CN2CCC[NH2+]C[C@@H]2C(=O)OC)CC1 ZINC000592983531 377869066 /nfs/dbraw/zinc/86/90/66/377869066.db2.gz WVJRSROZUNCOIW-CQSZACIVSA-N 2 0 326.441 -0.576 20 0 EBADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)NC[C@H]3C[N@@H+]4CCN3CCC4)c21 ZINC000595976473 378043342 /nfs/dbraw/zinc/04/33/42/378043342.db2.gz QMJBCERQGAGTPD-KBPBESRZSA-N 2 0 332.452 -0.161 20 0 EBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+][C@H]3C)C2)CC1 ZINC000599966107 378288989 /nfs/dbraw/zinc/28/89/89/378288989.db2.gz NDKONQSLPSEDQP-RRFJBIMHSA-N 2 0 337.468 -0.909 20 0 EBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@H]1COC[C@H]1O ZINC000636682002 378304338 /nfs/dbraw/zinc/30/43/38/378304338.db2.gz ZKRYNVQQJPDELJ-JKSUJKDBSA-N 2 0 349.435 -0.347 20 0 EBADRP CSCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000602528323 378362056 /nfs/dbraw/zinc/36/20/56/378362056.db2.gz REGUKEQZADIPFH-GFCCVEGCSA-N 2 0 329.470 -0.764 20 0 EBADRP CN(CC[N@H+](C)CCCN1C(=O)CNC1=O)C1CC[NH+](C)CC1 ZINC000162193211 378363609 /nfs/dbraw/zinc/36/36/09/378363609.db2.gz MCBAWYAQOPTPFL-UHFFFAOYSA-N 2 0 325.457 -0.114 20 0 EBADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000602489834 378359285 /nfs/dbraw/zinc/35/92/85/378359285.db2.gz AHBABOIYASZIOQ-HZPDHXFCSA-N 2 0 348.447 -0.191 20 0 EBADRP CN1Cc2ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc2C1 ZINC000337526645 378657445 /nfs/dbraw/zinc/65/74/45/378657445.db2.gz GQBLMTHTHAABDW-KRWDZBQOSA-N 2 0 334.420 -0.001 20 0 EBADRP [NH3+]CCNC(=O)c1ccccc1NC(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000365951985 378730199 /nfs/dbraw/zinc/73/01/99/378730199.db2.gz ASKHOWGRRFUIDI-UHFFFAOYSA-N 2 0 328.376 -0.004 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCCC[C@H]2C(N)=O)C1 ZINC000338947844 378831972 /nfs/dbraw/zinc/83/19/72/378831972.db2.gz XDIVDZKZZLROLC-GJZGRUSLSA-N 2 0 340.468 -0.201 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCCC[C@@H]2C(N)=O)C1 ZINC000338947846 378833121 /nfs/dbraw/zinc/83/31/21/378833121.db2.gz XDIVDZKZZLROLC-LSDHHAIUSA-N 2 0 340.468 -0.201 20 0 EBADRP CC[NH+](CC)CCNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000339584940 378955950 /nfs/dbraw/zinc/95/59/50/378955950.db2.gz OJIKBAQNNJCBEE-UHFFFAOYSA-N 2 0 341.500 -0.413 20 0 EBADRP COC(=O)CC[N@H+](CCC(=O)N1CC[NH2+]CC1)C[C@H]1CCCO1 ZINC000563623882 379057180 /nfs/dbraw/zinc/05/71/80/379057180.db2.gz WWZDVANFAFRTHL-CQSZACIVSA-N 2 0 327.425 -0.148 20 0 EBADRP CCCC[NH+]1CCC(NC(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000563562358 379046588 /nfs/dbraw/zinc/04/65/88/379046588.db2.gz VTZJECNNNARLQK-UHFFFAOYSA-N 2 0 325.457 -0.018 20 0 EBADRP C[N@H+](CCOCC[NH3+])CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000629580502 379050485 /nfs/dbraw/zinc/05/04/85/379050485.db2.gz WNURNAYDUASODD-UHFFFAOYSA-N 2 0 344.437 -0.430 20 0 EBADRP COC[C@]1(CNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)CCC[NH2+]1 ZINC000563601547 379051999 /nfs/dbraw/zinc/05/19/99/379051999.db2.gz XMFRPQHDGRAILH-IJEWVQPXSA-N 2 0 328.457 -0.149 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCCC[NH2+]C(C)C)C1 ZINC000563612470 379053608 /nfs/dbraw/zinc/05/36/08/379053608.db2.gz JNCNXYCMCORYTP-HNNXBMFYSA-N 2 0 342.484 -0.036 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCCC[NH+]3CCC[C@@H](C(N)=O)C3)C[C@@H]21 ZINC000454447518 379115155 /nfs/dbraw/zinc/11/51/55/379115155.db2.gz VMQSKDUENFRDIY-KFWWJZLASA-N 2 0 337.468 -0.081 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000629819005 379160296 /nfs/dbraw/zinc/16/02/96/379160296.db2.gz HSWZHEYRGMXERD-MRXNPFEDSA-N 2 0 326.441 -0.636 20 0 EBADRP CC[NH+]1CCC(CCNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627296033 379140674 /nfs/dbraw/zinc/14/06/74/379140674.db2.gz UVBLYHYMPPGZDL-AWEZNQCLSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CCOCC[NH3+])CCCO1 ZINC000627296495 379142295 /nfs/dbraw/zinc/14/22/95/379142295.db2.gz IQCYDBZRAQRMGX-AWEZNQCLSA-N 2 0 344.456 -0.963 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000629800099 379142408 /nfs/dbraw/zinc/14/24/08/379142408.db2.gz NRXOWJILONCKPV-KGLIPLIRSA-N 2 0 328.457 -0.378 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000629800305 379142472 /nfs/dbraw/zinc/14/24/72/379142472.db2.gz PYWHOZJBGCFQNQ-ZIAGYGMSSA-N 2 0 326.441 -0.637 20 0 EBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CCOCC[NH2+]C)C1 ZINC000629802889 379147664 /nfs/dbraw/zinc/14/76/64/379147664.db2.gz XBDLZTWKWNBOMJ-AWEZNQCLSA-N 2 0 328.457 -0.519 20 0 EBADRP CC[NH+]1CCN([C@H](C)CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000571407750 379171504 /nfs/dbraw/zinc/17/15/04/379171504.db2.gz KKFRTSGKXVYARJ-CABCVRRESA-N 2 0 349.483 -0.042 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000627301159 379219896 /nfs/dbraw/zinc/21/98/96/379219896.db2.gz WNNOGNGXIVXIIK-SOUVJXGZSA-N 2 0 340.468 -0.284 20 0 EBADRP O=C(NCC[NH+]1CCCOCC1)NC[C@H]1CCCC[N@H+]1CCO ZINC000458843953 379238002 /nfs/dbraw/zinc/23/80/02/379238002.db2.gz NOFTXIZTJLDSTE-OAHLLOKOSA-N 2 0 328.457 -0.145 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000627305924 379278766 /nfs/dbraw/zinc/27/87/66/379278766.db2.gz LGDFVASTNCXPQV-MYPMTAMASA-N 2 0 338.452 -0.653 20 0 EBADRP CC1CC[NH+](CCCNC(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000627309739 379297846 /nfs/dbraw/zinc/29/78/46/379297846.db2.gz ZAVNAEBZFYUOTP-UHFFFAOYSA-N 2 0 328.457 -0.342 20 0 EBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627311859 379303814 /nfs/dbraw/zinc/30/38/14/379303814.db2.gz JHGRTPJFEGFBBQ-HZSPNIEDSA-N 2 0 326.441 -0.672 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000627312001 379304330 /nfs/dbraw/zinc/30/43/30/379304330.db2.gz MOTZKWPEBAKTLN-AWEZNQCLSA-N 2 0 342.484 -0.035 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622027456 379396490 /nfs/dbraw/zinc/39/64/90/379396490.db2.gz CLHRASCEMIIOFL-YOEHRIQHSA-N 3 0 339.484 -0.722 20 0 EBADRP C[C@H]1CC[C@@H](NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[NH2+]1 ZINC000627334036 379350625 /nfs/dbraw/zinc/35/06/25/379350625.db2.gz DAEXHLUDPGYYBD-UONOGXRCSA-N 2 0 339.484 -0.615 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000270758493 379472221 /nfs/dbraw/zinc/47/22/21/379472221.db2.gz DYFLLOIJQBPAFA-OAHLLOKOSA-N 2 0 335.452 -0.002 20 0 EBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC000642644433 379551196 /nfs/dbraw/zinc/55/11/96/379551196.db2.gz FWKCQUCXBLYNOU-KFWWJZLASA-N 2 0 340.468 -0.202 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CCCCC1 ZINC000627397299 379581474 /nfs/dbraw/zinc/58/14/74/379581474.db2.gz JNCLCEHMAVJADJ-ZDUSSCGKSA-N 2 0 326.441 -0.528 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000627398832 379583897 /nfs/dbraw/zinc/58/38/97/379583897.db2.gz XSEWVTSVLGUFOK-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP CCC[NH2+]CCNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627406955 379585907 /nfs/dbraw/zinc/58/59/07/379585907.db2.gz YCZUPMZIUBNUGB-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627453145 379603581 /nfs/dbraw/zinc/60/35/81/379603581.db2.gz DVWZYKZZCAHCLE-CYBMUJFWSA-N 2 0 326.441 -0.447 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000627428633 379595589 /nfs/dbraw/zinc/59/55/89/379595589.db2.gz KTQKGPXVRGRKTO-CQSZACIVSA-N 2 0 328.457 -0.425 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627366992 379567653 /nfs/dbraw/zinc/56/76/53/379567653.db2.gz HSNMEYWVBZZWQG-HZSPNIEDSA-N 2 0 326.441 -0.530 20 0 EBADRP C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCOCC1)C(C)(C)C[NH+](C)C ZINC000627369330 379568858 /nfs/dbraw/zinc/56/88/58/379568858.db2.gz QSYPZLJKBNNLQD-GFCCVEGCSA-N 2 0 328.457 -0.297 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000627377757 379573430 /nfs/dbraw/zinc/57/34/30/379573430.db2.gz RKGHLGWWFYSDMU-UHFFFAOYSA-N 2 0 326.441 -0.589 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000627388805 379578217 /nfs/dbraw/zinc/57/82/17/379578217.db2.gz HVBMPNFQBCAICS-AWEZNQCLSA-N 2 0 326.441 -0.399 20 0 EBADRP CNS(=O)(=O)CCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000637672173 379635416 /nfs/dbraw/zinc/63/54/16/379635416.db2.gz XMSQCDUTEDKUBL-UHFFFAOYSA-N 2 0 337.490 -0.940 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCOCCC[NH3+])C[C@H]1C ZINC000627487586 379636003 /nfs/dbraw/zinc/63/60/03/379636003.db2.gz GZDDIKNBOLLDJF-KGLIPLIRSA-N 2 0 328.457 -0.201 20 0 EBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627455055 379605404 /nfs/dbraw/zinc/60/54/04/379605404.db2.gz JSOAEHWHERSDAW-UHFFFAOYSA-N 2 0 326.441 -0.445 20 0 EBADRP C[C@H]([NH3+])CNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000642098600 379605644 /nfs/dbraw/zinc/60/56/44/379605644.db2.gz LHFCOKMCVFLXJK-HNNXBMFYSA-N 2 0 347.463 -0.616 20 0 EBADRP [NH3+]C1(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CCOCC1 ZINC000627455587 379605743 /nfs/dbraw/zinc/60/57/43/379605743.db2.gz ATUXWFMOKIOFOS-AWEZNQCLSA-N 2 0 338.452 -0.303 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000627470158 379617006 /nfs/dbraw/zinc/61/70/06/379617006.db2.gz MKVJRNWTGHXNEJ-HUUCEWRRSA-N 2 0 338.452 -0.432 20 0 EBADRP C[NH+](C)CCC1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627471972 379620571 /nfs/dbraw/zinc/62/05/71/379620571.db2.gz CPTGUZDOANVKJH-CQSZACIVSA-N 2 0 326.441 -0.719 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C[NH2+]1 ZINC000627477059 379624953 /nfs/dbraw/zinc/62/49/53/379624953.db2.gz QIQCZNGZEHMMLM-ILXRZTDVSA-N 2 0 340.468 -0.188 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627126647 379809954 /nfs/dbraw/zinc/80/99/54/379809954.db2.gz HWXOVYWBZMPOIS-ZDUSSCGKSA-N 2 0 325.457 -0.068 20 0 EBADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)NC[C@@H]1COCC[NH2+]1 ZINC000627091251 379803149 /nfs/dbraw/zinc/80/31/49/379803149.db2.gz LQYIFDMJNZPWLI-MNOVXSKESA-N 2 0 339.362 -0.890 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N[C@H](CC[NH3+])C(F)F)CC1 ZINC000631943354 379758239 /nfs/dbraw/zinc/75/82/39/379758239.db2.gz UJUHOTWDCVAZMW-LLVKDONJSA-N 2 0 328.429 -0.474 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000626964518 379767570 /nfs/dbraw/zinc/76/75/70/379767570.db2.gz SQVFNAHABQMXPQ-MJBXVCDLSA-N 2 0 325.457 -0.021 20 0 EBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC3(C[NH3+])CCOCC3)C2)CC1 ZINC000626979175 379769646 /nfs/dbraw/zinc/76/96/46/379769646.db2.gz SIXGYSXBHLSUEB-AWEZNQCLSA-N 2 0 339.484 -0.038 20 0 EBADRP [NH3+][C@@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C[C@H]1c1ccccc1F ZINC000631944816 379788126 /nfs/dbraw/zinc/78/81/26/379788126.db2.gz IIMIKIOSINEDHV-CORIIIEPSA-N 2 0 343.424 -0.130 20 0 EBADRP C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)CCCN3CC[NH+](C)CC3)C2)C1 ZINC000632361952 379854945 /nfs/dbraw/zinc/85/49/45/379854945.db2.gz QTIUXHSITAJJCA-MRXNPFEDSA-N 2 0 344.525 -0.019 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC1([NH3+])CCOCC1 ZINC000627147835 379816073 /nfs/dbraw/zinc/81/60/73/379816073.db2.gz NCANFXCLQJZYRA-UHFFFAOYSA-N 2 0 329.445 -0.844 20 0 EBADRP C[NH2+]CCOCCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000627171786 379821523 /nfs/dbraw/zinc/82/15/23/379821523.db2.gz HVFXTHKLXLCVJB-CQSZACIVSA-N 2 0 341.456 -0.924 20 0 EBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633093238 379934193 /nfs/dbraw/zinc/93/41/93/379934193.db2.gz SPOPRBYWOUFFGC-GASCZTMLSA-N 2 0 337.468 -0.955 20 0 EBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633095706 379936862 /nfs/dbraw/zinc/93/68/62/379936862.db2.gz YEQJEZJILPMNPJ-YDHLFZDLSA-N 2 0 336.436 -0.729 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000633119083 379945679 /nfs/dbraw/zinc/94/56/79/379945679.db2.gz OBZNKVMCALVDLN-RDBSUJKOSA-N 2 0 326.441 -0.496 20 0 EBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000633119081 379945728 /nfs/dbraw/zinc/94/57/28/379945728.db2.gz OBZNKVMCALVDLN-MCIONIFRSA-N 2 0 326.441 -0.496 20 0 EBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000633119137 379945780 /nfs/dbraw/zinc/94/57/80/379945780.db2.gz ORYIMHDYEVUAEQ-SOUVJXGZSA-N 2 0 338.452 -0.495 20 0 EBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000633143494 379948792 /nfs/dbraw/zinc/94/87/92/379948792.db2.gz MJNYSEGXYXHMRM-CHWSQXEVSA-N 2 0 326.441 -0.760 20 0 EBADRP COC1(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC[NH2+]CC1 ZINC000634288560 379992875 /nfs/dbraw/zinc/99/28/75/379992875.db2.gz HYKJGNXFRIHKTM-ZDUSSCGKSA-N 2 0 326.441 -0.399 20 0 EBADRP C[C@@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000354737236 380089460 /nfs/dbraw/zinc/08/94/60/380089460.db2.gz IIXZAVCNIRBHDU-LSDHHAIUSA-N 2 0 339.484 -0.756 20 0 EBADRP C(CC[N@@H+]1CCN2CCOC[C@@H]2C1)C[NH+]1CCN2CCOC[C@H]2C1 ZINC000543559623 380063801 /nfs/dbraw/zinc/06/38/01/380063801.db2.gz RHBMIQFCRCWQOS-HDICACEKSA-N 2 0 338.496 -0.201 20 0 EBADRP CC[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+]1CCOC ZINC000354674057 380078262 /nfs/dbraw/zinc/07/82/62/380078262.db2.gz LYFHDFTZDMJIJN-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354706873 380085974 /nfs/dbraw/zinc/08/59/74/380085974.db2.gz HNONCJGTXGLHAC-ZIAGYGMSSA-N 2 0 326.441 -0.528 20 0 EBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])c1 ZINC000638085391 380106676 /nfs/dbraw/zinc/10/66/76/380106676.db2.gz KMPXNOCVSAMKBT-LSDHHAIUSA-N 2 0 334.420 -0.290 20 0 EBADRP C[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000135023061 380161175 /nfs/dbraw/zinc/16/11/75/380161175.db2.gz ASIVVXGTZKPALS-ZDUSSCGKSA-N 2 0 328.482 -0.344 20 0 EBADRP CC[NH+]1CCN(c2ccc(CNC(=O)CN3CC[NH2+]CC3)cn2)CC1 ZINC000638135980 380194682 /nfs/dbraw/zinc/19/46/82/380194682.db2.gz FNFIATVLKLMBRN-UHFFFAOYSA-N 2 0 346.479 -0.255 20 0 EBADRP O=C(NCC1CC[NH+](CCO)CC1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000355136697 380150781 /nfs/dbraw/zinc/15/07/81/380150781.db2.gz POHORWPQWNKJQM-AWEZNQCLSA-N 2 0 338.452 -0.840 20 0 EBADRP C[C@@](O)(CNC(=O)N[C@H]1CCn2ccnc2C1)CN1CCOCC1 ZINC000547675444 380153485 /nfs/dbraw/zinc/15/34/85/380153485.db2.gz MOASDGFOCPPIOB-XJKSGUPXSA-N 2 0 337.424 -0.420 20 0 EBADRP CC[NH+]1CCC(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000550042769 380249905 /nfs/dbraw/zinc/24/99/05/380249905.db2.gz WQCICMWQAVJBHS-UHFFFAOYSA-N 3 0 341.500 -0.461 20 0 EBADRP Cc1nccn1CCCNC(=O)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000340212834 380258797 /nfs/dbraw/zinc/25/87/97/380258797.db2.gz SWWIHRYDZHSSJB-OAHLLOKOSA-N 2 0 349.435 -0.369 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000551485037 380264793 /nfs/dbraw/zinc/26/47/93/380264793.db2.gz KGVPCIBYAZPHEK-HNNXBMFYSA-N 2 0 341.500 -0.604 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCCS1 ZINC000548817121 380232228 /nfs/dbraw/zinc/23/22/28/380232228.db2.gz RJKFBKJTMIUFSP-CYBMUJFWSA-N 2 0 330.498 -0.050 20 0 EBADRP C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)N1CCNCC1=O ZINC000638269996 380325953 /nfs/dbraw/zinc/32/59/53/380325953.db2.gz CXYDDFFQCMJVDA-HNNXBMFYSA-N 2 0 341.500 -0.461 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[NH+]2CCC[C@H](C)C2)C1 ZINC000340221490 380284453 /nfs/dbraw/zinc/28/44/53/380284453.db2.gz XCWMWMYPBHPWSM-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)N[C@H](C)CN1CCOCC1 ZINC000340258145 380363314 /nfs/dbraw/zinc/36/33/14/380363314.db2.gz VTBRAHUSVHVEFB-HUUCEWRRSA-N 2 0 340.468 -0.378 20 0 EBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000340267387 380395090 /nfs/dbraw/zinc/39/50/90/380395090.db2.gz HTJLVBSQBFKURO-HUUCEWRRSA-N 2 0 339.484 -0.661 20 0 EBADRP C[C@H](CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)C[NH+]1CCN(C)CC1 ZINC000362564384 380411400 /nfs/dbraw/zinc/41/14/00/380411400.db2.gz KERNBHIAQCTRIQ-HUUCEWRRSA-N 2 0 349.483 -0.184 20 0 EBADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000565488451 380422354 /nfs/dbraw/zinc/42/23/54/380422354.db2.gz JVTSQINIFZVEMU-RYUDHWBXSA-N 2 0 334.424 -0.365 20 0 EBADRP COC[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCCC[NH2+]1 ZINC000638496978 380488661 /nfs/dbraw/zinc/48/86/61/380488661.db2.gz XODWYFPXPLMNCD-XJKSGUPXSA-N 2 0 326.441 -0.399 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCS(=O)(=O)c2ccccc2)CC1 ZINC000567160424 380503369 /nfs/dbraw/zinc/50/33/69/380503369.db2.gz IBUDQNJZAJPBIX-OAHLLOKOSA-N 2 0 341.477 -0.342 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000567368905 380515667 /nfs/dbraw/zinc/51/56/67/380515667.db2.gz MCMPXFXXSLTEHI-AWEZNQCLSA-N 2 0 327.473 -0.817 20 0 EBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000340360647 380474339 /nfs/dbraw/zinc/47/43/39/380474339.db2.gz MOTJEDDXXYOBET-UHFFFAOYSA-N 2 0 340.468 -0.232 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[C@H](C)[NH3+] ZINC000638480890 380484207 /nfs/dbraw/zinc/48/42/07/380484207.db2.gz BOLAPKANVYBSEX-UONOGXRCSA-N 2 0 325.457 -0.225 20 0 EBADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC[C@@H]1COCC[NH2+]1 ZINC000638616830 380535546 /nfs/dbraw/zinc/53/55/46/380535546.db2.gz BPAZRDCRXRWGQF-OAHLLOKOSA-N 2 0 333.436 -0.302 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[NH+](C)CC[C@@H]1C ZINC000340558530 380540297 /nfs/dbraw/zinc/54/02/97/380540297.db2.gz VIPCTXHNZUIGJU-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP COCC[N@@H+]1CCCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000567811367 380544669 /nfs/dbraw/zinc/54/46/69/380544669.db2.gz AJGRBVBMOHHTIJ-CQSZACIVSA-N 2 0 326.441 -0.575 20 0 EBADRP COCC[N@@H+]1CCCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000567811366 380545097 /nfs/dbraw/zinc/54/50/97/380545097.db2.gz AJGRBVBMOHHTIJ-AWEZNQCLSA-N 2 0 326.441 -0.575 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000340570067 380547906 /nfs/dbraw/zinc/54/79/06/380547906.db2.gz ALPACOGAVHNQAY-ZIAGYGMSSA-N 2 0 340.468 -0.188 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H]1CCC[NH+](C)[C@@H]1C ZINC000340575661 380550159 /nfs/dbraw/zinc/55/01/59/380550159.db2.gz NHWNFRHPMHTCNX-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000340576237 380552008 /nfs/dbraw/zinc/55/20/08/380552008.db2.gz JDNCWJCJRHURBG-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP CN(CCCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)S(C)(=O)=O ZINC000567889759 380556588 /nfs/dbraw/zinc/55/65/88/380556588.db2.gz RMIRPLUBBOULKY-OKILXGFUSA-N 2 0 346.497 -0.685 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CCOCC[NH3+])CC1=O ZINC000638675987 380569480 /nfs/dbraw/zinc/56/94/80/380569480.db2.gz MVZBTGXOBSTDJJ-LSDHHAIUSA-N 2 0 340.468 -0.247 20 0 EBADRP C[C@H](Cn1ccnc1)NC(=O)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000340658773 380578622 /nfs/dbraw/zinc/57/86/22/380578622.db2.gz QBJSXNBTSAUWOZ-CYBMUJFWSA-N 2 0 337.424 -0.697 20 0 EBADRP CCN1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000369926671 380580153 /nfs/dbraw/zinc/58/01/53/380580153.db2.gz KNPJRHZNRVKHGR-HZPDHXFCSA-N 2 0 340.468 -0.770 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)C[NH+]1CCCC1 ZINC000340769901 380627860 /nfs/dbraw/zinc/62/78/60/380627860.db2.gz MQDWLQZTEBJBFF-CABCVRRESA-N 2 0 339.484 -0.804 20 0 EBADRP C[C@@H](CNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)[NH+](C)C ZINC000418260429 380663405 /nfs/dbraw/zinc/66/34/05/380663405.db2.gz PDAOSUFPFFANQQ-KBPBESRZSA-N 2 0 325.457 -0.210 20 0 EBADRP CC[NH+](CC)CCSCC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000573386834 380670478 /nfs/dbraw/zinc/67/04/78/380670478.db2.gz QJUWFUKTMMYDKU-QWHCGFSZSA-N 2 0 328.482 -0.168 20 0 EBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC(CO)CO ZINC000341076763 380670642 /nfs/dbraw/zinc/67/06/42/380670642.db2.gz AJKWBXRXBOSLAI-UHFFFAOYSA-N 2 0 337.424 -0.754 20 0 EBADRP COC(=O)C1CCN(C(=O)CN2CCN(c3ncc[nH]3)CC2)CC1 ZINC000574384168 380709650 /nfs/dbraw/zinc/70/96/50/380709650.db2.gz BOUAGADAYLESBM-UHFFFAOYSA-N 2 0 335.408 -0.057 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000573810437 380688761 /nfs/dbraw/zinc/68/87/61/380688761.db2.gz IVCFXLIZQFXPGQ-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000574040551 380697628 /nfs/dbraw/zinc/69/76/28/380697628.db2.gz OBODDBYQUPVSBG-QWHCGFSZSA-N 2 0 327.473 -0.629 20 0 EBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC3CC([NH+]4CCCCC4)C3)CCN2C1=O ZINC000573021581 380654539 /nfs/dbraw/zinc/65/45/39/380654539.db2.gz DWPZPOPXWSFGLZ-NEXFUWMNSA-N 2 0 335.452 -0.043 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000341623051 380721533 /nfs/dbraw/zinc/72/15/33/380721533.db2.gz XIQGAZFFSUAETO-GJZGRUSLSA-N 2 0 340.468 -0.342 20 0 EBADRP O=S(=O)(CCCN1CCOCC1)N1CC[C@H](N2CC=CC2)C1 ZINC000372804698 380727038 /nfs/dbraw/zinc/72/70/38/380727038.db2.gz QRECKTSKSBEAKZ-HNNXBMFYSA-N 2 0 329.466 -0.015 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000575354528 380737634 /nfs/dbraw/zinc/73/76/34/380737634.db2.gz YFIFXPMEDNOAHG-UHFFFAOYSA-N 2 0 343.472 -0.582 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H](O)Cc2cccc(F)c2)CC1 ZINC000575401430 380739022 /nfs/dbraw/zinc/73/90/22/380739022.db2.gz YCNINOJQLRPXCR-IRXDYDNUSA-N 2 0 325.428 -0.073 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[NH2+]C[C@H]2C(F)F)C1 ZINC000576350040 380768500 /nfs/dbraw/zinc/76/85/00/380768500.db2.gz DQGRENDETOFJOA-KBPBESRZSA-N 2 0 348.438 -0.002 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000342009506 380751240 /nfs/dbraw/zinc/75/12/40/380751240.db2.gz BELJOLHCMJCCTF-LSDHHAIUSA-N 2 0 340.468 -0.500 20 0 EBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[C@]1(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)CC[NH2+]C1 ZINC000576638246 380779392 /nfs/dbraw/zinc/77/93/92/380779392.db2.gz WTCBQDVWKMXUDC-GGOFEBJYSA-N 3 0 337.468 -0.748 20 0 EBADRP COc1ccc([C@H](CO)C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000576637214 380779489 /nfs/dbraw/zinc/77/94/89/380779489.db2.gz SBEJWCNDYCYUHY-IRXDYDNUSA-N 2 0 337.464 -0.031 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000576861143 380788835 /nfs/dbraw/zinc/78/88/35/380788835.db2.gz BIZVISBAQBDBJU-AWEZNQCLSA-N 3 0 327.473 -0.865 20 0 EBADRP COC(=O)C[C@@H](C)N1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000374324433 380788902 /nfs/dbraw/zinc/78/89/02/380788902.db2.gz MDKZHQYCLYUUAY-HUUCEWRRSA-N 2 0 338.452 -0.528 20 0 EBADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000580569457 380794997 /nfs/dbraw/zinc/79/49/97/380794997.db2.gz QIHHLKAOHAUHLE-SJORKVTESA-N 2 0 343.431 -0.094 20 0 EBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418289731 380801523 /nfs/dbraw/zinc/80/15/23/380801523.db2.gz PGCOSSRUSLKCHB-INIZCTEOSA-N 2 0 341.500 -0.326 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000580632302 380805838 /nfs/dbraw/zinc/80/58/38/380805838.db2.gz AHLYRUKCNNABSW-AWEZNQCLSA-N 2 0 325.457 -0.066 20 0 EBADRP CC1CC[NH+](C[C@H](O)CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000580645102 380806354 /nfs/dbraw/zinc/80/63/54/380806354.db2.gz SYTPVHQXNMNFTR-HUUCEWRRSA-N 2 0 340.468 -0.546 20 0 EBADRP C[C@@H]1C[N@@H+](C[C@@H](O)CNC[C@@H](O)C[NH+]2CCCCC2)C[C@H](C)O1 ZINC000577179410 380810194 /nfs/dbraw/zinc/81/01/94/380810194.db2.gz WFPHWUFGIBDDCR-TWMKSMIVSA-N 2 0 329.485 -0.107 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000577943022 380857577 /nfs/dbraw/zinc/85/75/77/380857577.db2.gz IZRYFXOLMWATRQ-KGLIPLIRSA-N 3 0 327.473 -0.948 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000577943024 380858157 /nfs/dbraw/zinc/85/81/57/380858157.db2.gz IZRYFXOLMWATRQ-ZIAGYGMSSA-N 3 0 327.473 -0.948 20 0 EBADRP COC1(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC[NH2+]CC1 ZINC000578359295 380922473 /nfs/dbraw/zinc/92/24/73/380922473.db2.gz UHUPKRFJOHCUNH-CQSZACIVSA-N 2 0 338.452 -0.575 20 0 EBADRP C[C@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000578741628 380951568 /nfs/dbraw/zinc/95/15/68/380951568.db2.gz PAIGOAXCIJFUQS-UONOGXRCSA-N 2 0 325.457 -0.162 20 0 EBADRP C[C@H]([C@H](C)NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1)N1CCOCC1 ZINC000343328320 380988177 /nfs/dbraw/zinc/98/81/77/380988177.db2.gz DAFVBEFPACEIDL-UONOGXRCSA-N 2 0 340.468 -0.236 20 0 EBADRP CCN1CCO[C@@H](C(=O)N2CCCN(CC(=O)N(C)C)CC2)C1 ZINC000377949345 381002753 /nfs/dbraw/zinc/00/27/53/381002753.db2.gz JFPLFHCGPNJKPV-CQSZACIVSA-N 2 0 326.441 -0.670 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000581355972 381070864 /nfs/dbraw/zinc/07/08/64/381070864.db2.gz NRUNETJNNWTOBS-KKUMJFAQSA-N 2 0 340.468 -0.833 20 0 EBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000642439448 381095029 /nfs/dbraw/zinc/09/50/29/381095029.db2.gz HJLSMSIOVNEYQI-KGLIPLIRSA-N 2 0 325.457 -0.922 20 0 EBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000642439447 381095181 /nfs/dbraw/zinc/09/51/81/381095181.db2.gz HJLSMSIOVNEYQI-KBPBESRZSA-N 2 0 325.457 -0.922 20 0 EBADRP Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)C[C@H]2COCC[NH2+]2)cn1 ZINC000583083516 381097284 /nfs/dbraw/zinc/09/72/84/381097284.db2.gz RZGOOXYIMGLJTK-KKUMJFAQSA-N 2 0 339.415 -0.173 20 0 EBADRP COC[C@](C)(CO)[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000639953442 381157363 /nfs/dbraw/zinc/15/73/63/381157363.db2.gz XEHQTFAERGPDMM-ZBFHGGJFSA-N 2 0 331.457 -0.554 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000347063232 381163235 /nfs/dbraw/zinc/16/32/35/381163235.db2.gz DKSPXTGTZBBMAX-GJZGRUSLSA-N 2 0 327.473 -0.358 20 0 EBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)CCN2C1=O ZINC000584541259 381180076 /nfs/dbraw/zinc/18/00/76/381180076.db2.gz ANYDLDLOBUUUEO-VHDGCEQUSA-N 2 0 335.452 -0.043 20 0 EBADRP CN1CC[NH2+]C[C@H]1CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000418759329 381261107 /nfs/dbraw/zinc/26/11/07/381261107.db2.gz JCPLJUVIWDTHDI-INIZCTEOSA-N 3 0 342.532 -0.195 20 0 EBADRP CC[N@H+](CCO)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000347440279 381220890 /nfs/dbraw/zinc/22/08/90/381220890.db2.gz ZFZXYAMSFHUEDI-HZPDHXFCSA-N 2 0 342.484 -0.022 20 0 EBADRP CO[C@@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)[C@@H](C[NH3+])C1 ZINC000418833981 381289021 /nfs/dbraw/zinc/28/90/21/381289021.db2.gz LLWFZVNYQSJKMI-ZIAGYGMSSA-N 2 0 340.468 -0.058 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000347971191 381303441 /nfs/dbraw/zinc/30/34/41/381303441.db2.gz RKAPFMQHTKSKJS-QLFBSQMISA-N 2 0 339.484 -0.663 20 0 EBADRP Cc1ccc([C@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)[NH+](C)C)cc1 ZINC000418814584 381281821 /nfs/dbraw/zinc/28/18/21/381281821.db2.gz JYKCREANARZYBQ-CVEARBPZSA-N 2 0 348.447 -0.100 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000418874841 381324000 /nfs/dbraw/zinc/32/40/00/381324000.db2.gz CLAZARIJVKMUKT-KGLIPLIRSA-N 2 0 328.457 -0.282 20 0 EBADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000418883126 381330041 /nfs/dbraw/zinc/33/00/41/381330041.db2.gz ZUTHBDGQJZMYOM-JKSUJKDBSA-N 2 0 348.447 -0.538 20 0 EBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000418883964 381333021 /nfs/dbraw/zinc/33/30/21/381333021.db2.gz WCYDTIMLKGJIGE-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000347979627 381320519 /nfs/dbraw/zinc/32/05/19/381320519.db2.gz VOEVNTWCNAABTP-OAHLLOKOSA-N 2 0 339.484 -0.707 20 0 EBADRP NC(=O)NC1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000348215404 381344797 /nfs/dbraw/zinc/34/47/97/381344797.db2.gz KLIDFIGATPOWMW-UHFFFAOYSA-N 2 0 346.435 -0.089 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)C1 ZINC000418912749 381348030 /nfs/dbraw/zinc/34/80/30/381348030.db2.gz DLLKKPDBLGQCBQ-RBSFLKMASA-N 2 0 340.468 -0.332 20 0 EBADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419033198 381357592 /nfs/dbraw/zinc/35/75/92/381357592.db2.gz YDUPBFFKSNGUMO-MGPQQGTHSA-N 2 0 328.457 -0.751 20 0 EBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1(C)C ZINC000419188823 381404279 /nfs/dbraw/zinc/40/42/79/381404279.db2.gz SSPWLXUYHBCJNB-UHFFFAOYSA-N 2 0 339.484 -0.661 20 0 EBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1(C)C ZINC000419188855 381404451 /nfs/dbraw/zinc/40/44/51/381404451.db2.gz SYEAPUVFALYKRR-CQSZACIVSA-N 2 0 339.484 -0.532 20 0 EBADRP C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419164164 381391122 /nfs/dbraw/zinc/39/11/22/381391122.db2.gz LNEXKMQZMIIPLB-GDBMZVCRSA-N 2 0 348.447 -0.143 20 0 EBADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419168093 381391577 /nfs/dbraw/zinc/39/15/77/381391577.db2.gz JZTIWCFIHGWUTJ-CABCVRRESA-N 2 0 340.468 -0.057 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)[NH+]1CCC(C)CC1 ZINC000419144060 381395001 /nfs/dbraw/zinc/39/50/01/381395001.db2.gz FDKZUOXPDVGQLU-KGLIPLIRSA-N 2 0 326.441 -0.672 20 0 EBADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)C(C)(C)C ZINC000419140824 381395084 /nfs/dbraw/zinc/39/50/84/381395084.db2.gz WEJKQKKRASLGJW-ZIAGYGMSSA-N 2 0 342.484 -0.036 20 0 EBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1(C)C ZINC000419186779 381403499 /nfs/dbraw/zinc/40/34/99/381403499.db2.gz QIIMRECDUSHZRW-CQSZACIVSA-N 2 0 339.484 -0.613 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000419351917 381422246 /nfs/dbraw/zinc/42/22/46/381422246.db2.gz HVYDFVKKAGDDAN-OAHLLOKOSA-N 2 0 349.435 -0.751 20 0 EBADRP CO[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000419412651 381428573 /nfs/dbraw/zinc/42/85/73/381428573.db2.gz RCXFQHKYWJNFJX-RRFJBIMHSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000419407260 381428642 /nfs/dbraw/zinc/42/86/42/381428642.db2.gz JYHVRAZQHGLZSF-ZNMIVQPWSA-N 2 0 340.468 -0.343 20 0 EBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000419479961 381445859 /nfs/dbraw/zinc/44/58/59/381445859.db2.gz MMIQYKLNACGWAK-HNNXBMFYSA-N 2 0 340.468 -0.185 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C[C@@H](C)[NH2+]1 ZINC000419486101 381446044 /nfs/dbraw/zinc/44/60/44/381446044.db2.gz XAEIDZOYZNPFEZ-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000419474154 381446473 /nfs/dbraw/zinc/44/64/73/381446473.db2.gz BUNJJIZEICJMGO-CABCVRRESA-N 2 0 340.468 -0.199 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)C1CCCC1 ZINC000419693484 381473199 /nfs/dbraw/zinc/47/31/99/381473199.db2.gz IVRLGQHEWUJZGT-CQSZACIVSA-N 2 0 326.441 -0.528 20 0 EBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000419721350 381479368 /nfs/dbraw/zinc/47/93/68/381479368.db2.gz GWFLPXWCHXWPTD-OAHLLOKOSA-N 2 0 337.468 -0.859 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000419550610 381453376 /nfs/dbraw/zinc/45/33/76/381453376.db2.gz WPSOMQZAXUFPOI-MELADBBJSA-N 2 0 326.441 -0.578 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000419552998 381453635 /nfs/dbraw/zinc/45/36/35/381453635.db2.gz ZJFRTBDJKLSEAP-SOUVJXGZSA-N 2 0 340.468 -0.343 20 0 EBADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C[C@H]1C[NH3+] ZINC000419590180 381459882 /nfs/dbraw/zinc/45/98/82/381459882.db2.gz SZHWYAMFUHTTQM-IOASZLSFSA-N 2 0 342.509 -0.017 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000419592607 381461099 /nfs/dbraw/zinc/46/10/99/381461099.db2.gz SJUAYSQUDYRDDF-RBSFLKMASA-N 2 0 340.468 -0.058 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000419592605 381462301 /nfs/dbraw/zinc/46/23/01/381462301.db2.gz SJUAYSQUDYRDDF-QLFBSQMISA-N 2 0 340.468 -0.058 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419671273 381468844 /nfs/dbraw/zinc/46/88/44/381468844.db2.gz DSNAWWIOWBBPLM-UHFFFAOYSA-N 2 0 328.457 -0.151 20 0 EBADRP C[NH2+]CCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000419847597 381506436 /nfs/dbraw/zinc/50/64/36/381506436.db2.gz RXPDGCPUUFMHMW-UHFFFAOYSA-N 2 0 335.408 -0.536 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C[C@@H](C)O1 ZINC000419862209 381510707 /nfs/dbraw/zinc/51/07/07/381510707.db2.gz MVYXQFDNVQCNIV-YRGRVCCFSA-N 2 0 326.441 -0.545 20 0 EBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419867312 381512553 /nfs/dbraw/zinc/51/25/53/381512553.db2.gz BODJAIYHLNQPGE-GJZGRUSLSA-N 2 0 337.468 -0.907 20 0 EBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419869285 381515244 /nfs/dbraw/zinc/51/52/44/381515244.db2.gz MUSUYBXKHFPBKD-OAHLLOKOSA-N 2 0 339.484 -0.659 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419895455 381518693 /nfs/dbraw/zinc/51/86/93/381518693.db2.gz XFQLEULNEHMYEX-GFCCVEGCSA-N 2 0 333.392 -0.783 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000349904809 381491509 /nfs/dbraw/zinc/49/15/09/381491509.db2.gz KMZFYKVKTMUICX-HNNXBMFYSA-N 2 0 328.457 -0.289 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000419733313 381491886 /nfs/dbraw/zinc/49/18/86/381491886.db2.gz UCIDNFUYEGXCQQ-AWEZNQCLSA-N 2 0 340.468 -0.009 20 0 EBADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419735431 381492240 /nfs/dbraw/zinc/49/22/40/381492240.db2.gz QLACZNDWFZKYQH-GJZGRUSLSA-N 2 0 338.452 -0.386 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000419814308 381496332 /nfs/dbraw/zinc/49/63/32/381496332.db2.gz HGOYOMDFBRVPAQ-RBSFLKMASA-N 2 0 339.484 -0.805 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000419813497 381497270 /nfs/dbraw/zinc/49/72/70/381497270.db2.gz HDHBSCRUHRCCII-HUUCEWRRSA-N 2 0 339.484 -0.804 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000419837279 381502705 /nfs/dbraw/zinc/50/27/05/381502705.db2.gz WMYWLUMMVASIRP-KFWWJZLASA-N 2 0 339.484 -0.805 20 0 EBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420087911 381538612 /nfs/dbraw/zinc/53/86/12/381538612.db2.gz GWTSPDAUQUBDKU-CYBMUJFWSA-N 2 0 338.452 -0.304 20 0 EBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000419974497 381523273 /nfs/dbraw/zinc/52/32/73/381523273.db2.gz IKXMLEPMJZTMDN-ZIAGYGMSSA-N 2 0 342.484 -0.220 20 0 EBADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000420157758 381551856 /nfs/dbraw/zinc/55/18/56/381551856.db2.gz GQOSPAKIJSMQKV-KBPBESRZSA-N 2 0 340.468 -0.330 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420078431 381535916 /nfs/dbraw/zinc/53/59/16/381535916.db2.gz ZMTMVRWKLFLQLC-CQSZACIVSA-N 2 0 328.457 -0.343 20 0 EBADRP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000420300019 381578394 /nfs/dbraw/zinc/57/83/94/381578394.db2.gz CBIPENWQEYSURE-NOOOWODRSA-N 2 0 349.435 -0.703 20 0 EBADRP CNS(=O)(=O)C[C@H]1CCCN1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420306609 381579872 /nfs/dbraw/zinc/57/98/72/381579872.db2.gz QMYKLDSVSAVOSH-PMPSAXMXSA-N 2 0 341.477 -0.069 20 0 EBADRP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420347968 381582223 /nfs/dbraw/zinc/58/22/23/381582223.db2.gz ZZKMBWFBNFBRRH-UTUOFQBUSA-N 2 0 349.435 -0.831 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000420178497 381562407 /nfs/dbraw/zinc/56/24/07/381562407.db2.gz DQNOHZABAIMHFF-CABCVRRESA-N 2 0 340.468 -0.188 20 0 EBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420199622 381568783 /nfs/dbraw/zinc/56/87/83/381568783.db2.gz WTTAPMJBYFUEMK-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)C[NH+]1CCCCC1 ZINC000420204714 381569064 /nfs/dbraw/zinc/56/90/64/381569064.db2.gz SRJMFLSYNQFSJN-KGLIPLIRSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420421248 381586164 /nfs/dbraw/zinc/58/61/64/381586164.db2.gz YPFAHVSYTFDRHW-MXWKQRLJSA-N 2 0 337.424 -0.846 20 0 EBADRP CC[NH+](C)C[C@H](O)CN1CCN(C[C@@H](O)C[N@@H+](C)CC)C[C@H]1C ZINC000571696770 381614348 /nfs/dbraw/zinc/61/43/48/381614348.db2.gz MDCWJKNAQRFMKS-IKGGRYGDSA-N 2 0 330.517 -0.382 20 0 EBADRP C[C@@H]1C[N@@H+](CCCCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000351542277 381641635 /nfs/dbraw/zinc/64/16/35/381641635.db2.gz QVNFFFFRGOKYON-ZNMIVQPWSA-N 2 0 340.468 -0.140 20 0 EBADRP CC[C@@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+]1CCOC ZINC000351556409 381643986 /nfs/dbraw/zinc/64/39/86/381643986.db2.gz OCOUEQFDGZGGIP-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000351563462 381645255 /nfs/dbraw/zinc/64/52/55/381645255.db2.gz KPUNMMQAYVJALH-MCIONIFRSA-N 2 0 326.441 -0.530 20 0 EBADRP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000580443135 381757098 /nfs/dbraw/zinc/75/70/98/381757098.db2.gz KAUQFBMDBGFXLT-SECBINFHSA-N 2 0 331.384 -0.733 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CCO1 ZINC000643492787 381821721 /nfs/dbraw/zinc/82/17/21/381821721.db2.gz FZRGHYXAKPSEAL-KKUMJFAQSA-N 2 0 338.452 -0.352 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC[NH2+]1 ZINC000332548567 381810567 /nfs/dbraw/zinc/81/05/67/381810567.db2.gz OIFZQAFMIMEXEO-CQSZACIVSA-N 2 0 338.452 -0.623 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000643509545 381928491 /nfs/dbraw/zinc/92/84/91/381928491.db2.gz PHBVVUOGUIZANL-CABCVRRESA-N 3 0 339.484 -0.851 20 0 EBADRP CC(C)[C@H](CNC(=O)NC[C@H]1COCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000626930189 381958037 /nfs/dbraw/zinc/95/80/37/381958037.db2.gz XXJFTAWPJAEPGW-GJZGRUSLSA-N 2 0 327.473 -0.454 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000626937768 381960305 /nfs/dbraw/zinc/96/03/05/381960305.db2.gz YNCVMFDAOCANCT-OAHLLOKOSA-N 2 0 327.473 -0.308 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CCO1 ZINC000643510624 381961435 /nfs/dbraw/zinc/96/14/35/381961435.db2.gz CXFOUYQJWOPTSL-SOUVJXGZSA-N 2 0 338.452 -0.352 20 0 EBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000626915492 381941331 /nfs/dbraw/zinc/94/13/31/381941331.db2.gz LRFKUPOQQMQMNK-HNNXBMFYSA-N 2 0 332.404 -0.546 20 0 EBADRP CC[NH+](CC)CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000352257717 381944352 /nfs/dbraw/zinc/94/43/52/381944352.db2.gz QIOKPWHSRRZIBC-AWEZNQCLSA-N 2 0 348.513 -0.165 20 0 EBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000617767967 381977674 /nfs/dbraw/zinc/97/76/74/381977674.db2.gz JWJVFJULTLLOBS-ZDUSSCGKSA-N 2 0 334.486 -0.590 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CCO1 ZINC000643530823 382045772 /nfs/dbraw/zinc/04/57/72/382045772.db2.gz YOPDUPIIPDZTKD-RRFJBIMHSA-N 2 0 340.468 -0.106 20 0 EBADRP COCC[N@H+](C)C[C@@H](O)CN1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000583672069 382103879 /nfs/dbraw/zinc/10/38/79/382103879.db2.gz ISAPCADIYUXOHW-UONOGXRCSA-N 2 0 337.486 -0.813 20 0 EBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000629173809 382082531 /nfs/dbraw/zinc/08/25/31/382082531.db2.gz JCUGBEFONWPBOJ-AEFFLSMTSA-N 2 0 333.432 -0.194 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000332981541 382181174 /nfs/dbraw/zinc/18/11/74/382181174.db2.gz OCMYLGUINQLDCN-CVEARBPZSA-N 2 0 339.484 -0.404 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000355267960 285031784 /nfs/dbraw/zinc/03/17/84/285031784.db2.gz SAQBYUVHSOVERK-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[NH+]1CCN([C@H](C)CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000354730686 285335584 /nfs/dbraw/zinc/33/55/84/285335584.db2.gz APSVNNCRZPZLQB-CABCVRRESA-N 2 0 339.484 -0.613 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000299429860 155154873 /nfs/dbraw/zinc/15/48/73/155154873.db2.gz LHCHBWQNOCZUQF-UHFFFAOYSA-N 2 0 339.440 -0.319 20 0 EBADRP CN1CCN(C(=O)CC[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000330619998 155294742 /nfs/dbraw/zinc/29/47/42/155294742.db2.gz ZUGOBONMLPJNCO-UONOGXRCSA-N 2 0 346.497 -0.400 20 0 EBADRP CC[C@](C)([NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C(N)=O ZINC000177130247 154114133 /nfs/dbraw/zinc/11/41/33/154114133.db2.gz OLSNQRSBUJMOKW-BBRMVZONSA-N 2 0 328.457 -0.297 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)n1 ZINC000189806123 154155610 /nfs/dbraw/zinc/15/56/10/154155610.db2.gz DSIXMDKSIYAPQM-UHFFFAOYSA-N 2 0 334.424 -0.310 20 0 EBADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000238045338 154176944 /nfs/dbraw/zinc/17/69/44/154176944.db2.gz OEUGKDXLPAUSPB-CQSZACIVSA-N 2 0 340.493 -0.152 20 0 EBADRP O=C(C[C@H]1CSCC[NH2+]1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000238081997 154177533 /nfs/dbraw/zinc/17/75/33/154177533.db2.gz OEUGKDXLPAUSPB-AWEZNQCLSA-N 2 0 340.493 -0.152 20 0 EBADRP O=C(NC[C@@H]1CCCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1)[C@@H]1CCC[NH2+]1 ZINC000245559106 154178936 /nfs/dbraw/zinc/17/89/36/154178936.db2.gz UAVFXRVPZXKCHF-HEHGZKQESA-N 2 0 326.416 -0.205 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1=O ZINC000249105275 154191303 /nfs/dbraw/zinc/19/13/03/154191303.db2.gz PDWPMKRICAYGMR-JONQDZQNSA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(NC[C@@H]1CCC[N@H+](CCN2C(=O)CCC2=O)C1)[C@H]1CCC[NH2+]1 ZINC000261718818 154198032 /nfs/dbraw/zinc/19/80/32/154198032.db2.gz QKWRCWLMWUTFSK-UONOGXRCSA-N 2 0 336.436 -0.284 20 0 EBADRP C[NH+]1CCN(c2cc(CNC(=O)[C@@H]3CC[C@H](C[NH3+])O3)ccn2)CC1 ZINC000261790855 154201769 /nfs/dbraw/zinc/20/17/69/154201769.db2.gz NPJXKUYFRKUYRN-CABCVRRESA-N 2 0 333.436 -0.044 20 0 EBADRP O=C(CC[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1)N1CC[NH2+]CC1 ZINC000262060493 154210286 /nfs/dbraw/zinc/21/02/86/154210286.db2.gz JCGCPVPUCGDCQQ-HNNXBMFYSA-N 2 0 338.452 -0.478 20 0 EBADRP COC[C@@H]([NH3+])C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000262354675 154226916 /nfs/dbraw/zinc/22/69/16/154226916.db2.gz UVPRVBFTCJWIDD-JKSUJKDBSA-N 2 0 348.447 -0.026 20 0 EBADRP CC[NH+]1CCC(N[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000266976665 154359631 /nfs/dbraw/zinc/35/96/31/154359631.db2.gz OAWZGZPTKLOTLY-JTQLQIEISA-N 2 0 337.424 -0.689 20 0 EBADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C[C@@H]2COCC[NH2+]2)cc1 ZINC000285762234 154896953 /nfs/dbraw/zinc/89/69/53/154896953.db2.gz KSMGCVHLSRFAIO-MRXNPFEDSA-N 2 0 348.447 -0.027 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](CCOC)C1 ZINC000342046407 156000529 /nfs/dbraw/zinc/00/05/29/156000529.db2.gz VPDQURNCYZXXJS-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](C)[NH+](C)C2CC2)C1 ZINC000342069796 156004742 /nfs/dbraw/zinc/00/47/42/156004742.db2.gz YBGGIWJXHGZKBT-QWHCGFSZSA-N 2 0 326.441 -0.578 20 0 EBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000342699927 156053458 /nfs/dbraw/zinc/05/34/58/156053458.db2.gz WWGKVHJPXMRAEN-CYBMUJFWSA-N 2 0 340.424 -0.967 20 0 EBADRP CC[NH+]1CCN(CC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC000342963375 156077453 /nfs/dbraw/zinc/07/74/53/156077453.db2.gz KZTWWZYQPKFLIE-INIZCTEOSA-N 2 0 326.485 -0.023 20 0 EBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000343014289 156085351 /nfs/dbraw/zinc/08/53/51/156085351.db2.gz HLOXBWZWKIEEIX-UHFFFAOYSA-N 2 0 340.468 -0.232 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000343025028 156087692 /nfs/dbraw/zinc/08/76/92/156087692.db2.gz QIIOEVMIMXPQBK-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC000343174129 156105921 /nfs/dbraw/zinc/10/59/21/156105921.db2.gz GPSUVCGGICELCH-CABCVRRESA-N 2 0 342.484 -0.083 20 0 EBADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000344629604 156249335 /nfs/dbraw/zinc/24/93/35/156249335.db2.gz LFEQUWDTIKURRB-AWEZNQCLSA-N 2 0 342.484 -0.347 20 0 EBADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351554012 156703465 /nfs/dbraw/zinc/70/34/65/156703465.db2.gz HBQUIXOVLZAYAB-UKRRQHHQSA-N 2 0 340.468 -0.594 20 0 EBADRP CN(CCN1CCOCC1)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000355900833 157031531 /nfs/dbraw/zinc/03/15/31/157031531.db2.gz LKPNIXDUZLBTGT-UHFFFAOYSA-N 2 0 340.468 -0.375 20 0 EBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000357931904 157189692 /nfs/dbraw/zinc/18/96/92/157189692.db2.gz XCKFZHASPZNZCO-ZIAGYGMSSA-N 2 0 340.468 -0.548 20 0 EBADRP COC(=O)[C@H]1CCN(CC2(C[N@@H+]3CC[C@H](C(=O)OC)C3)COC2)C1 ZINC000359990687 157351827 /nfs/dbraw/zinc/35/18/27/157351827.db2.gz DUVBPNYFPYVPDV-KBPBESRZSA-N 2 0 340.420 -0.007 20 0 EBADRP O=C(CN1CCC(CC[NH+]2CCOCC2)CC1)N1CCNC(=O)C1 ZINC000360255119 157368456 /nfs/dbraw/zinc/36/84/56/157368456.db2.gz SCHYJWBEJXELHI-UHFFFAOYSA-N 2 0 338.452 -0.621 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419860685 419021478 /nfs/dbraw/zinc/02/14/78/419021478.db2.gz AYUXRAXIBNEIFQ-KKUMJFAQSA-N 2 0 340.468 -0.058 20 0 EBADRP CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000518332511 419023939 /nfs/dbraw/zinc/02/39/39/419023939.db2.gz PDDMKYHXZWDINM-LSDHHAIUSA-N 2 0 342.484 -0.442 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000410436408 419028869 /nfs/dbraw/zinc/02/88/69/419028869.db2.gz RKRRXAZAAKBXDQ-AWEZNQCLSA-N 2 0 328.457 -0.424 20 0 EBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000410468694 419029481 /nfs/dbraw/zinc/02/94/81/419029481.db2.gz BIXGWEBWHONBBH-AWEZNQCLSA-N 2 0 340.468 -0.546 20 0 EBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000410468697 419030256 /nfs/dbraw/zinc/03/02/56/419030256.db2.gz BIXGWEBWHONBBH-CQSZACIVSA-N 2 0 340.468 -0.546 20 0 EBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000410469580 419030515 /nfs/dbraw/zinc/03/05/15/419030515.db2.gz CBZHFRSHMNJSGZ-UONOGXRCSA-N 2 0 326.441 -0.672 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000410500165 419034434 /nfs/dbraw/zinc/03/44/34/419034434.db2.gz AAVSEDQEXRRVKO-AWEZNQCLSA-N 2 0 328.457 -0.424 20 0 EBADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@H](N)CC[NH+](C)C)cc1 ZINC000653119063 418989114 /nfs/dbraw/zinc/98/91/14/418989114.db2.gz ZKYQYVVWHXJAIQ-INIZCTEOSA-N 2 0 349.479 -0.127 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000662925137 419006202 /nfs/dbraw/zinc/00/62/02/419006202.db2.gz NFKFOBAJLHMDSA-UHFFFAOYSA-N 2 0 326.441 -0.636 20 0 EBADRP C[C@@H]1C[C@@H](NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC[N@@H+]1C ZINC000650918259 419089296 /nfs/dbraw/zinc/08/92/96/419089296.db2.gz ATXIFJMAMSEKHR-KGLIPLIRSA-N 2 0 325.457 -0.116 20 0 EBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000644124062 419103911 /nfs/dbraw/zinc/10/39/11/419103911.db2.gz OJABCXXLPUCGRP-UONOGXRCSA-N 2 0 326.441 -0.399 20 0 EBADRP C[N@H+](CCN1CCCS1(=O)=O)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000647552598 419112696 /nfs/dbraw/zinc/11/26/96/419112696.db2.gz KHNCEYINMKWRCM-CYBMUJFWSA-N 2 0 332.470 -0.849 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000647593749 419121071 /nfs/dbraw/zinc/12/10/71/419121071.db2.gz DRVYEOFOSOSEJU-MJBXVCDLSA-N 2 0 328.457 -0.155 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000647593746 419121330 /nfs/dbraw/zinc/12/13/30/419121330.db2.gz DRVYEOFOSOSEJU-BFHYXJOUSA-N 2 0 328.457 -0.155 20 0 EBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000647250973 419052750 /nfs/dbraw/zinc/05/27/50/419052750.db2.gz OVAPCXDHRXXJJY-ZDUSSCGKSA-N 2 0 345.469 -0.590 20 0 EBADRP C[NH+](C)CCN1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1=O ZINC000650670829 419060484 /nfs/dbraw/zinc/06/04/84/419060484.db2.gz BFCUTYPIISOFPB-CQSZACIVSA-N 2 0 337.468 -0.114 20 0 EBADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000644197734 419137379 /nfs/dbraw/zinc/13/73/79/419137379.db2.gz XNEWANARCGQUGH-BZUAXINKSA-N 2 0 339.484 -0.038 20 0 EBADRP C[NH+](C)CCN1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1=O ZINC000651383266 419191173 /nfs/dbraw/zinc/19/11/73/419191173.db2.gz SAMVBRICRUHUEP-UHFFFAOYSA-N 2 0 330.396 -0.715 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)NCc2ccc3c[nH+]cn3c2)C[C@H]1C[NH3+] ZINC000652672627 419247682 /nfs/dbraw/zinc/24/76/82/419247682.db2.gz PUSNCRKTYXIWDW-UKRRQHHQSA-N 2 0 345.403 -0.227 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)C[C@H]1C[NH3+] ZINC000652682145 419251365 /nfs/dbraw/zinc/25/13/65/419251365.db2.gz CDKJUHNVGLYOGM-RBSFLKMASA-N 2 0 340.468 -0.201 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652682853 419251453 /nfs/dbraw/zinc/25/14/53/419251453.db2.gz XKRDCKBXSQJXGH-RBSFLKMASA-N 2 0 340.468 -0.343 20 0 EBADRP CC(C)[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C(N)=O ZINC000364152051 419199732 /nfs/dbraw/zinc/19/97/32/419199732.db2.gz XBUQACUFRQOMNL-TZMCWYRMSA-N 2 0 325.457 -0.036 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@H]1C[NH3+] ZINC000652694116 419209889 /nfs/dbraw/zinc/20/98/89/419209889.db2.gz PBAPMPICXADUEY-CBBWQLFWSA-N 2 0 338.452 -0.448 20 0 EBADRP COC[C@]1(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCC[NH2+]1 ZINC000647693096 419210531 /nfs/dbraw/zinc/21/05/31/419210531.db2.gz RLLHRPNHTNUXFK-YOEHRIQHSA-N 2 0 338.452 -0.575 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)C[C@H]1C[NH3+] ZINC000652694148 419227195 /nfs/dbraw/zinc/22/71/95/419227195.db2.gz PSYQPDABVQJNAR-RBSFLKMASA-N 2 0 340.468 -0.343 20 0 EBADRP CCO[C@@H]1CN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C[C@H]1C[NH3+] ZINC000652159016 419229233 /nfs/dbraw/zinc/22/92/33/419229233.db2.gz PYJLWGUMEKNGIE-BZUAXINKSA-N 2 0 341.500 -0.125 20 0 EBADRP Cn1c2ncn(CC[N@@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)c2c(=O)n(C)c1=O ZINC000652352106 419233886 /nfs/dbraw/zinc/23/38/86/419233886.db2.gz FRWMACZZINDQNI-SJCJKPOMSA-N 2 0 346.435 -0.506 20 0 EBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000652705479 419301412 /nfs/dbraw/zinc/30/14/12/419301412.db2.gz IRRDDZFVFSSQAZ-UONOGXRCSA-N 2 0 328.457 -0.345 20 0 EBADRP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN(C)CCC[NH3+] ZINC000647849387 419310538 /nfs/dbraw/zinc/31/05/38/419310538.db2.gz QSFREETZTWCDFY-NSHDSACASA-N 2 0 340.449 -0.108 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C[C@H]1C[NH3+] ZINC000652728931 419323523 /nfs/dbraw/zinc/32/35/23/419323523.db2.gz IJDMYHUHIHZMFN-MGPQQGTHSA-N 2 0 326.441 -0.639 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645281535 419328370 /nfs/dbraw/zinc/32/83/70/419328370.db2.gz XVDIERHNMMZMHN-OAHLLOKOSA-N 2 0 339.484 -0.262 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+](CC)CC)C2)C[C@H]1C[NH3+] ZINC000652726842 419320803 /nfs/dbraw/zinc/32/08/03/419320803.db2.gz QPRMLHMXTZSKIK-QLFBSQMISA-N 2 0 340.468 -0.249 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C[C@H]1C[NH3+] ZINC000652728355 419321002 /nfs/dbraw/zinc/32/10/02/419321002.db2.gz HAVXFPOKQZNLQA-RBSFLKMASA-N 2 0 338.452 -0.495 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000340206378 419335199 /nfs/dbraw/zinc/33/51/99/419335199.db2.gz XCHSUGSMANYUGK-UHFFFAOYSA-N 2 0 342.484 -0.129 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH+](C)C)CC2)C[C@H]1C[NH3+] ZINC000652736707 419352109 /nfs/dbraw/zinc/35/21/09/419352109.db2.gz NCLJMNYGLDQQMJ-HUUCEWRRSA-N 2 0 340.468 -0.391 20 0 EBADRP CC(C)[N@H+](C)C[C@H](O)CN1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000647966630 419401887 /nfs/dbraw/zinc/40/18/87/419401887.db2.gz ATKNHQOSGMXUMX-HOTGVXAUSA-N 2 0 326.485 -0.074 20 0 EBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000653396629 419371740 /nfs/dbraw/zinc/37/17/40/419371740.db2.gz CPNWVDCSGRBNLX-HNNXBMFYSA-N 2 0 341.500 -0.558 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000340833067 419383415 /nfs/dbraw/zinc/38/34/15/419383415.db2.gz WMQDSTWVVLXGFM-RRFJBIMHSA-N 2 0 338.452 -0.434 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000340833068 419384559 /nfs/dbraw/zinc/38/45/59/419384559.db2.gz WMQDSTWVVLXGFM-SOUVJXGZSA-N 2 0 338.452 -0.434 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C)CC[C@H]1C ZINC000341524624 419386480 /nfs/dbraw/zinc/38/64/80/419386480.db2.gz AVIBZFFYYKVHNH-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000519530889 419526057 /nfs/dbraw/zinc/52/60/57/419526057.db2.gz ATQNRCQBHJDPKH-HNNXBMFYSA-N 2 0 333.436 -0.020 20 0 EBADRP COC(=O)C[C@H]([NH3+])C(=O)NCCC[NH+]1CCC(C(=O)OC)CC1 ZINC000519600661 419530315 /nfs/dbraw/zinc/53/03/15/419530315.db2.gz QFKXSSNEDQKVLG-LBPRGKRZSA-N 2 0 329.397 -0.732 20 0 EBADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000519754150 419542207 /nfs/dbraw/zinc/54/22/07/419542207.db2.gz CBCYQSOBGVPSQU-UHFFFAOYSA-N 2 0 340.468 -0.329 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000348014524 419499802 /nfs/dbraw/zinc/49/98/02/419499802.db2.gz MXGOGBZVHGZXED-ZIAGYGMSSA-N 2 0 328.457 -0.378 20 0 EBADRP O=C(C[NH2+]C[C@H]1CCCO1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000519140529 419516879 /nfs/dbraw/zinc/51/68/79/419516879.db2.gz MFDMUABBFZTTJE-CPUCHLNUSA-N 2 0 338.452 -0.482 20 0 EBADRP C[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)[C@@H]1CN(C)CCO1 ZINC000655709592 419616370 /nfs/dbraw/zinc/61/63/70/419616370.db2.gz CUFURKOKEIWSLI-KKUMJFAQSA-N 2 0 328.457 -0.149 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cn1 ZINC000645625050 419773014 /nfs/dbraw/zinc/77/30/14/419773014.db2.gz VGOAVBJEMUWKLU-TZMCWYRMSA-N 2 0 334.424 -0.454 20 0 EBADRP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659738879 419804875 /nfs/dbraw/zinc/80/48/75/419804875.db2.gz JWGGFGNRQCXZGD-LSDHHAIUSA-N 2 0 338.452 -0.304 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000659756910 419811956 /nfs/dbraw/zinc/81/19/56/419811956.db2.gz TUGRTBYVXTZPLF-CYBMUJFWSA-N 2 0 327.473 -0.805 20 0 EBADRP CCC[NH2+]CCNC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000419917656 419816124 /nfs/dbraw/zinc/81/61/24/419816124.db2.gz HTWBZGCGFADZTJ-KBPBESRZSA-N 2 0 328.457 -0.282 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@H](C)O1 ZINC000419932304 419824428 /nfs/dbraw/zinc/82/44/28/419824428.db2.gz DOFOIIGIZCADHP-QLFBSQMISA-N 2 0 340.468 -0.140 20 0 EBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000420018488 419832705 /nfs/dbraw/zinc/83/27/05/419832705.db2.gz POZIZMJZCBGGCA-BFHYXJOUSA-N 2 0 340.468 -0.202 20 0 EBADRP C[C@@H]1C[C@H](C)[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1C[NH3+] ZINC000422636692 419903800 /nfs/dbraw/zinc/90/38/00/419903800.db2.gz NMVTYPJHWVVVBT-FRRDWIJNSA-N 2 0 348.451 -0.261 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000423263528 419928949 /nfs/dbraw/zinc/92/89/49/419928949.db2.gz ORRSDCLQBVUFJA-CABCVRRESA-N 2 0 342.484 -0.001 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423266818 419929791 /nfs/dbraw/zinc/92/97/91/419929791.db2.gz SHMNWNYBDGAPPA-CQSZACIVSA-N 2 0 328.457 -0.247 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000423267198 419930130 /nfs/dbraw/zinc/93/01/30/419930130.db2.gz SWZAQJVZEQKCKB-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP CC[NH2+]CC1CCN(C(=O)C(=O)N(CCOC)CC[NH+](C)C)CC1 ZINC000423265112 419930458 /nfs/dbraw/zinc/93/04/58/419930458.db2.gz QRIUKZGWAGMEMC-UHFFFAOYSA-N 2 0 342.484 -0.129 20 0 EBADRP CC1(C)CN(C(=O)C(=O)N2CCN(Cc3ncc[nH]3)CC2)CC[NH2+]1 ZINC000423325032 419931847 /nfs/dbraw/zinc/93/18/47/419931847.db2.gz PTHJYIWTQYZXDV-UHFFFAOYSA-N 2 0 334.424 -0.736 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CCO1 ZINC000423226297 419925402 /nfs/dbraw/zinc/92/54/02/419925402.db2.gz QDZIARWSTTVXNU-LSDHHAIUSA-N 2 0 338.452 -0.351 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423214374 419926775 /nfs/dbraw/zinc/92/67/75/419926775.db2.gz OVFAWEKHGRCQON-UONOGXRCSA-N 2 0 326.441 -0.495 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000514717234 419971270 /nfs/dbraw/zinc/97/12/70/419971270.db2.gz NJXJYMFFFVZBQL-OAHLLOKOSA-N 2 0 340.468 -0.280 20 0 EBADRP C[NH+]1CCN(C[C@H](NC(=O)CNC(=O)C[NH3+])c2ccccc2)CC1 ZINC000514725636 419971493 /nfs/dbraw/zinc/97/14/93/419971493.db2.gz PUHMRLAYHBPLJE-HNNXBMFYSA-N 2 0 333.436 -0.834 20 0 EBADRP COCC[N@H+](C)C[C@@H](O)CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000514796126 419973850 /nfs/dbraw/zinc/97/38/50/419973850.db2.gz LJFIWEZZHSKYOV-MRXNPFEDSA-N 2 0 342.484 -0.835 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000167405639 420527543 /nfs/dbraw/zinc/52/75/43/420527543.db2.gz ZGYMCFVWWBDACN-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646188972 420539748 /nfs/dbraw/zinc/53/97/48/420539748.db2.gz BIQPFKDEWOFFES-RRFJBIMHSA-N 2 0 327.473 -0.182 20 0 EBADRP CCOC(=O)N1CCC(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000495895209 420612127 /nfs/dbraw/zinc/61/21/27/420612127.db2.gz PBIUZHSUVHDQCT-ZDUSSCGKSA-N 2 0 327.429 -0.108 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529345212 420763443 /nfs/dbraw/zinc/76/34/43/420763443.db2.gz WHGKTBNNFVEQHV-STQMWFEESA-N 2 0 326.445 -0.535 20 0 EBADRP O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)NC[C@@H]1COCC[NH2+]1 ZINC000529379499 420764901 /nfs/dbraw/zinc/76/49/01/420764901.db2.gz XPNNQRXHUXICSQ-IKGGRYGDSA-N 2 0 348.447 -0.091 20 0 EBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529391168 420767373 /nfs/dbraw/zinc/76/73/73/420767373.db2.gz YNXLSCGQCZKHFC-OLZOCXBDSA-N 2 0 327.429 -0.996 20 0 EBADRP CC(CN1CC[NH+]2C[C@H](O)C[C@H]2C1)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653829655 420707204 /nfs/dbraw/zinc/70/72/04/420707204.db2.gz QDPQRNDPUCOWHT-WNRNVDISSA-N 2 0 338.496 -0.876 20 0 EBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000649321261 420800833 /nfs/dbraw/zinc/80/08/33/420800833.db2.gz QQCCZIRISSICQR-ZNMIVQPWSA-N 2 0 338.452 -0.698 20 0 EBADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1C[NH2+]CCC1(F)F ZINC000649335470 420802476 /nfs/dbraw/zinc/80/24/76/420802476.db2.gz DZWHIXPFOZGQRY-UONOGXRCSA-N 2 0 346.422 -0.246 20 0 EBADRP C[C@H](CNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C[NH+]1CCN(C)CC1 ZINC000654460562 420830072 /nfs/dbraw/zinc/83/00/72/420830072.db2.gz FCJXSUJGLUARIE-OWCLPIDISA-N 2 0 339.484 -0.670 20 0 EBADRP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)C1=O ZINC000656478784 420897925 /nfs/dbraw/zinc/89/79/25/420897925.db2.gz QOJCESNWNFBHKM-MJBXVCDLSA-N 2 0 336.436 -0.334 20 0 EBADRP COC1CCN(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000656895428 420902467 /nfs/dbraw/zinc/90/24/67/420902467.db2.gz VFEMIQFCMBKZHH-UHFFFAOYSA-N 2 0 336.502 -0.233 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656022483 420866082 /nfs/dbraw/zinc/86/60/82/420866082.db2.gz HHOYTDDVVMDEKD-RVMXOQNASA-N 2 0 326.441 -0.328 20 0 EBADRP C[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656023194 420866787 /nfs/dbraw/zinc/86/67/87/420866787.db2.gz YDBGXFOGKKGEAE-NRWUCQMLSA-N 2 0 326.441 -0.546 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656020880 420867285 /nfs/dbraw/zinc/86/72/85/420867285.db2.gz VOSWZGZNXBBDKJ-NMKXLXIOSA-N 2 0 326.441 -0.546 20 0 EBADRP C[C@H](CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000656024681 420867637 /nfs/dbraw/zinc/86/76/37/420867637.db2.gz SEFCTPAZSXVJSQ-PDWCTOEPSA-N 2 0 328.457 -0.158 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656039568 420868183 /nfs/dbraw/zinc/86/81/83/420868183.db2.gz DNRPICMYLDZXTA-FQUUOJAGSA-N 2 0 326.441 -0.450 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656040608 420868347 /nfs/dbraw/zinc/86/83/47/420868347.db2.gz MOOMROJGXDFXLT-ARILJUKYSA-N 2 0 340.468 -0.204 20 0 EBADRP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656039532 420868622 /nfs/dbraw/zinc/86/86/22/420868622.db2.gz CHIVQAORXNEJJR-MCIONIFRSA-N 2 0 328.457 -0.332 20 0 EBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656079854 420876784 /nfs/dbraw/zinc/87/67/84/420876784.db2.gz KMACQHFVZDWZJP-QLFBSQMISA-N 2 0 338.452 -0.936 20 0 EBADRP CCCN(C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@@H]1CC[N@H+](C)C1 ZINC000656086428 420878330 /nfs/dbraw/zinc/87/83/30/420878330.db2.gz YCTPLVVTDPEGBT-QLFBSQMISA-N 2 0 338.452 -0.794 20 0 EBADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656102654 420880781 /nfs/dbraw/zinc/88/07/81/420880781.db2.gz MXJIPMBFSZELOK-MJBXVCDLSA-N 2 0 326.441 -0.904 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C[NH+]1CCCC1 ZINC000656301272 420885387 /nfs/dbraw/zinc/88/53/87/420885387.db2.gz ZUZLBCWCPVVUMY-SOUVJXGZSA-N 2 0 338.452 -0.888 20 0 EBADRP COCCN1CCN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000658447480 420956771 /nfs/dbraw/zinc/95/67/71/420956771.db2.gz QYONCMKFLWWZSC-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658904063 420986341 /nfs/dbraw/zinc/98/63/41/420986341.db2.gz QMWADQUOSUSEQG-OAHLLOKOSA-N 2 0 338.452 -0.936 20 0 EBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659453353 420999957 /nfs/dbraw/zinc/99/99/57/420999957.db2.gz YAQBQHVAELVGQL-UHFFFAOYSA-N 2 0 337.468 -0.020 20 0 EBADRP O=C(NCC(=O)N1CC[NH2+]CC1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659507305 421001133 /nfs/dbraw/zinc/00/11/33/421001133.db2.gz HREQFEVETRRIBV-HZPDHXFCSA-N 2 0 345.447 -0.137 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000659683877 421014716 /nfs/dbraw/zinc/01/47/16/421014716.db2.gz AKBOQCMWITUFGO-CYBMUJFWSA-N 2 0 348.451 -0.826 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCC[NH2+]C2CC2)CCO1 ZINC000659711581 421017960 /nfs/dbraw/zinc/01/79/60/421017960.db2.gz AMXKLQCPHDVUTF-CQSZACIVSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)C[NH+]1CCN(C)CC1 ZINC000659710782 421018602 /nfs/dbraw/zinc/01/86/02/421018602.db2.gz UUJSWUGNANNMJE-AWEZNQCLSA-N 2 0 339.484 -0.626 20 0 EBADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659724430 421023295 /nfs/dbraw/zinc/02/32/95/421023295.db2.gz VYONYLPNIVFNCE-GJZGRUSLSA-N 2 0 340.468 -0.010 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCC2([NH3+])CCCC2)C[C@H](C)O1 ZINC000659732371 421024926 /nfs/dbraw/zinc/02/49/26/421024926.db2.gz MQGRGBRESYETKN-OKILXGFUSA-N 2 0 340.468 -0.010 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCC2)CCO1 ZINC000659733907 421025204 /nfs/dbraw/zinc/02/52/04/421025204.db2.gz GVEHOMVYDOJZHY-CQSZACIVSA-N 2 0 340.468 -0.057 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H](C)[NH2+]1 ZINC000659738831 421025711 /nfs/dbraw/zinc/02/57/11/421025711.db2.gz ITXSDWOAHVBEJN-VNHYZAJKSA-N 2 0 338.452 -0.435 20 0 EBADRP CC[NH+](CC)CCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659747550 421028104 /nfs/dbraw/zinc/02/81/04/421028104.db2.gz DMPNHNUIPZTRLN-UHFFFAOYSA-N 2 0 338.412 -0.895 20 0 EBADRP CN(C)C(=O)N(C)[C@@H]1CC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000663500231 421132455 /nfs/dbraw/zinc/13/24/55/421132455.db2.gz JBNQXFCOCBVRFB-ZIAGYGMSSA-N 2 0 325.457 -0.129 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662874149 421104266 /nfs/dbraw/zinc/10/42/66/421104266.db2.gz MRMWOLIVRLVGNY-UHFFFAOYSA-N 2 0 325.413 -0.040 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N(C)CCC[NH3+])C1 ZINC000662940006 421112148 /nfs/dbraw/zinc/11/21/48/421112148.db2.gz DSMODLHLFRHZIW-AWEZNQCLSA-N 2 0 328.457 -0.247 20 0 EBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662947396 421114688 /nfs/dbraw/zinc/11/46/88/421114688.db2.gz OBMGBCQQLMUNGC-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CCO1 ZINC000662950930 421116579 /nfs/dbraw/zinc/11/65/79/421116579.db2.gz GHURHSJAGZRYQC-YOEHRIQHSA-N 2 0 340.468 -0.247 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC[C@H]1[NH3+] ZINC000662957079 421117932 /nfs/dbraw/zinc/11/79/32/421117932.db2.gz FDXUTAHVKLKYDN-QLFBSQMISA-N 2 0 340.468 -0.249 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C[C@@H](C)O1 ZINC000663554288 421133835 /nfs/dbraw/zinc/13/38/35/421133835.db2.gz SAMAETVIEPSJJS-KBXIAJHMSA-N 2 0 328.457 -0.198 20 0 EBADRP C[NH+](C)[C@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@@H]1O ZINC000664473635 421157095 /nfs/dbraw/zinc/15/70/95/421157095.db2.gz TZYWQXPVSCTTAI-QXSJWSMHSA-N 2 0 340.468 -0.320 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000664925828 421165498 /nfs/dbraw/zinc/16/54/98/421165498.db2.gz CXMGCTMOKFXGNH-LBPRGKRZSA-N 2 0 336.440 -0.072 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CCC[N@@H+]1C ZINC000344408433 421193158 /nfs/dbraw/zinc/19/31/58/421193158.db2.gz BJMJEDRFMUGOSF-OLZOCXBDSA-N 2 0 336.440 -0.018 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC000369780516 421195282 /nfs/dbraw/zinc/19/52/82/421195282.db2.gz RELRNOAQFPULNX-KBPBESRZSA-N 2 0 336.440 0.429 20 0 EBADRP C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000331732252 421197719 /nfs/dbraw/zinc/19/77/19/421197719.db2.gz RCEMTNKCKCPYAM-AWEZNQCLSA-N 2 0 348.451 0.251 20 0 EBADRP COCC[NH2+]CCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000418497950 264829476 /nfs/dbraw/zinc/82/94/76/264829476.db2.gz KWAZPELLHLYHKN-CQSZACIVSA-N 2 0 341.456 -0.830 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCCC[NH2+]C2CC2)C1 ZINC000418919857 264839500 /nfs/dbraw/zinc/83/95/00/264839500.db2.gz KONPAVDBPINSJL-HNNXBMFYSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419026304 264844986 /nfs/dbraw/zinc/84/49/86/264844986.db2.gz NJDUEPZBPICSSW-HUUCEWRRSA-N 2 0 339.484 -0.756 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419860681 264897595 /nfs/dbraw/zinc/89/75/95/264897595.db2.gz AYUXRAXIBNEIFQ-ILXRZTDVSA-N 2 0 340.468 -0.058 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419859228 264897884 /nfs/dbraw/zinc/89/78/84/264897884.db2.gz JHVCWGVJKYJVKR-ZDUSSCGKSA-N 2 0 347.419 -0.408 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000423263529 264991701 /nfs/dbraw/zinc/99/17/01/264991701.db2.gz ORRSDCLQBVUFJA-GJZGRUSLSA-N 2 0 342.484 -0.001 20 0 EBADRP C[NH2+]CCN(C)C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000423273911 264994675 /nfs/dbraw/zinc/99/46/75/264994675.db2.gz LEAONROGWBYHCT-OAHLLOKOSA-N 2 0 339.484 -0.707 20 0 EBADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423519352 265008584 /nfs/dbraw/zinc/00/85/84/265008584.db2.gz JFPCKUVBIJKDND-UHFFFAOYSA-N 2 0 340.468 -0.232 20 0 EBADRP CCN1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)C[C@@H]1c1ncc[nH]1 ZINC000423573383 265014931 /nfs/dbraw/zinc/01/49/31/265014931.db2.gz WGPWYVXPCSJDHD-MELADBBJSA-N 2 0 348.451 -0.176 20 0 EBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423638778 265024311 /nfs/dbraw/zinc/02/43/11/265024311.db2.gz ISYHBAMIIDMRIB-CQSZACIVSA-N 2 0 327.473 -0.722 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)[C@H](C)C[NH2+]1 ZINC000423654885 265026698 /nfs/dbraw/zinc/02/66/98/265026698.db2.gz RJICCOPESSKILB-HUUCEWRRSA-N 2 0 341.500 -0.463 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000423665316 265030116 /nfs/dbraw/zinc/03/01/16/265030116.db2.gz HEYXSGOHTULZCS-KFWWJZLASA-N 2 0 340.468 -0.106 20 0 EBADRP CO[C@H]1CCN(C(=O)C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000423682603 265031650 /nfs/dbraw/zinc/03/16/50/265031650.db2.gz WEHLAPGWWGIFPB-CRWXNKLISA-N 2 0 326.441 -0.498 20 0 EBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000423693868 265033849 /nfs/dbraw/zinc/03/38/49/265033849.db2.gz AIRBOHDRGIFVPX-HUUCEWRRSA-N 2 0 339.484 -0.580 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423736747 265039700 /nfs/dbraw/zinc/03/97/00/265039700.db2.gz BXWLJQMTHMTYIL-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000423736753 265039712 /nfs/dbraw/zinc/03/97/12/265039712.db2.gz BXWLJQMTHMTYIL-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP Cn1cnc2c1c(=O)n(CCC[NH+]1CCC(C[NH3+])CC1)c(=O)n2C ZINC000430601708 265149972 /nfs/dbraw/zinc/14/99/72/265149972.db2.gz JOEQAJCRTCUAEH-UHFFFAOYSA-N 2 0 334.424 -0.506 20 0 EBADRP Cn1cc(N2CCC[C@@H]([N@@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)C2=O)cn1 ZINC000430616116 265150053 /nfs/dbraw/zinc/15/00/53/265150053.db2.gz DRYSAQTZTXULAJ-UKRRQHHQSA-N 2 0 348.451 -0.298 20 0 EBADRP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430618469 265150329 /nfs/dbraw/zinc/15/03/29/265150329.db2.gz UMLIGLVGBUVRHS-WDEREUQCSA-N 2 0 325.413 -0.850 20 0 EBADRP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430627263 265150654 /nfs/dbraw/zinc/15/06/54/265150654.db2.gz MZBIGNUBYJAPCD-OLZOCXBDSA-N 2 0 341.456 -0.356 20 0 EBADRP COCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430652118 265152953 /nfs/dbraw/zinc/15/29/53/265152953.db2.gz MQJLWUWZYJWXEQ-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000430878375 265156776 /nfs/dbraw/zinc/15/67/76/265156776.db2.gz NXUALJUOZZXIOA-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP COCC[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC[NH2+]C1 ZINC000430896610 265156785 /nfs/dbraw/zinc/15/67/85/265156785.db2.gz IKXPPFAFFJXKBG-CJNGLKHVSA-N 2 0 326.441 -0.541 20 0 EBADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[NH2+]CCO3)cn2)CC1 ZINC000431011082 265158404 /nfs/dbraw/zinc/15/84/04/265158404.db2.gz TTXYCUPPXQHUTG-OAHLLOKOSA-N 2 0 333.436 -0.172 20 0 EBADRP CNS(=O)(=O)C[C@@H]1CCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433128459 265185105 /nfs/dbraw/zinc/18/51/05/265185105.db2.gz LSIPORBXRAGJRS-AWEZNQCLSA-N 2 0 346.497 -0.270 20 0 EBADRP COC(=O)C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)C(=O)OC ZINC000433113231 265185561 /nfs/dbraw/zinc/18/55/61/265185561.db2.gz BTTAVGXYZZBZBK-GFCCVEGCSA-N 2 0 329.397 -0.589 20 0 EBADRP Cn1cc(N2CCN(C(=O)CCC[NH+]3CCC([NH3+])CC3)CC2=O)cn1 ZINC000433150433 265185899 /nfs/dbraw/zinc/18/58/99/265185899.db2.gz GJENZKCTFSTJTO-UHFFFAOYSA-N 2 0 348.451 -0.201 20 0 EBADRP CC[N@H+](CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H]1CCC[NH2+]CC1 ZINC000435622230 265228328 /nfs/dbraw/zinc/22/83/28/265228328.db2.gz CHJRMPBAKPDMQW-ZDUSSCGKSA-N 2 0 348.451 -0.102 20 0 EBADRP CC[NH+](CCOCC[N@@H+](CC)[C@@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000440940961 265297217 /nfs/dbraw/zinc/29/72/17/265297217.db2.gz PNDQCXHEEBJHDI-OKILXGFUSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000442782480 265329671 /nfs/dbraw/zinc/32/96/71/265329671.db2.gz RLFCMXNZFKZPBZ-NEPJUHHUSA-N 2 0 334.424 -0.507 20 0 EBADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCC[C@H](CC[NH3+])C1)c(=O)n2C ZINC000443057551 265337665 /nfs/dbraw/zinc/33/76/65/265337665.db2.gz GYEQKSVNJZXWDZ-CYBMUJFWSA-N 2 0 348.451 -0.115 20 0 EBADRP Cn1c2ncn(CC[N@@H+]3CCC[C@H](CC[NH3+])C3)c2c(=O)n(C)c1=O ZINC000443059245 265338077 /nfs/dbraw/zinc/33/80/77/265338077.db2.gz MCUVKNLVKDELJR-GFCCVEGCSA-N 2 0 334.424 -0.506 20 0 EBADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1(C)C ZINC000444178039 265359711 /nfs/dbraw/zinc/35/97/11/265359711.db2.gz VEKRSFOHOFAUGK-AHIWAGSCSA-N 2 0 340.468 -0.025 20 0 EBADRP NC(=O)C[C@H]1CCCC[NH+]1CC(O)C[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000447346897 265373149 /nfs/dbraw/zinc/37/31/49/265373149.db2.gz ZTDOAOXPOALPDZ-ZIAGYGMSSA-N 2 0 340.468 -0.193 20 0 EBADRP C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC000529337162 265702207 /nfs/dbraw/zinc/70/22/07/265702207.db2.gz IPOJZTDEPKAFSV-KGLIPLIRSA-N 2 0 338.456 -0.521 20 0 EBADRP CC(C)[C@@H]([NH3+])CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529335098 265702427 /nfs/dbraw/zinc/70/24/27/265702427.db2.gz YDFPEZLODKCRLB-ZDUSSCGKSA-N 2 0 326.445 -0.678 20 0 EBADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000518531911 272890901 /nfs/dbraw/zinc/89/09/01/272890901.db2.gz HLVFQSBBOUOCHR-YCPHGPKFSA-N 2 0 338.452 -0.401 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C[C@@H]1[NH3+] ZINC000332250145 278630431 /nfs/dbraw/zinc/63/04/31/278630431.db2.gz CGCPGAKEHZSXNB-HIFRSBDPSA-N 2 0 338.452 -0.637 20 0 EBADRP [NH3+][C@H](CNC(=O)C[C@]1(C(=O)NC[C@@H]([NH3+])C2CC2)CC[NH2+]C1)C1CC1 ZINC000378314854 527387274 /nfs/dbraw/zinc/38/72/74/527387274.db2.gz LNGLPVNEELVDEZ-CKEIUWERSA-N 3 0 337.468 -0.937 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000672165304 545962249 /nfs/dbraw/zinc/96/22/49/545962249.db2.gz ALOVITADSOUXJK-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000671375234 545989636 /nfs/dbraw/zinc/98/96/36/545989636.db2.gz DVWIINGOIXMLGC-CQSZACIVSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666975527 546046887 /nfs/dbraw/zinc/04/68/87/546046887.db2.gz QYNORQCLWBDBTC-HOCLYGCPSA-N 2 0 328.457 -0.149 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nc2n(n1)CCCN2 ZINC000667812889 546063856 /nfs/dbraw/zinc/06/38/56/546063856.db2.gz ZDVGHTYWUIGGIU-AWEZNQCLSA-N 2 0 349.483 -0.161 20 0 EBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000672597062 546113360 /nfs/dbraw/zinc/11/33/60/546113360.db2.gz HWOYCYZMPZCLID-CABCVRRESA-N 2 0 339.484 -0.663 20 0 EBADRP C[C@@H](C(=O)NC[C@H](NC(=O)[C@H](C)[NH+](C)C)c1cnn(C)c1)[NH+](C)C ZINC000676914216 546221268 /nfs/dbraw/zinc/22/12/68/546221268.db2.gz YLROJFUVVRPNPE-OBJOEFQTSA-N 2 0 338.456 -0.406 20 0 EBADRP CCN1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@@H]1C ZINC000677217835 546226513 /nfs/dbraw/zinc/22/65/13/546226513.db2.gz ONDBOWQWOWRDEB-ZDUSSCGKSA-N 2 0 336.440 -0.064 20 0 EBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000677877673 546238613 /nfs/dbraw/zinc/23/86/13/546238613.db2.gz IYAWSAUMBRAUSW-HUUCEWRRSA-N 2 0 337.468 -0.920 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cn1 ZINC000683878010 546357487 /nfs/dbraw/zinc/35/74/87/546357487.db2.gz YXEGKGOYZNOTKG-BETUJISGSA-N 2 0 334.424 -0.597 20 0 EBADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000891563483 582558609 /nfs/dbraw/zinc/55/86/09/582558609.db2.gz HTVPBOLBTBDRHH-BZUAXINKSA-N 2 0 339.484 -0.038 20 0 EBADRP O=C(NC[C@H]1CCCC[NH2+]1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891971832 582564494 /nfs/dbraw/zinc/56/44/94/582564494.db2.gz UOFMMXXVUMSSRR-SYQHCUMBSA-N 2 0 337.424 -0.295 20 0 EBADRP O=C(CNC(=O)NCc1cccc2c1CC[NH2+]C2)N1CC[NH2+]CC1 ZINC000891971487 582564541 /nfs/dbraw/zinc/56/45/41/582564541.db2.gz VYTPGOGHYANPQC-UHFFFAOYSA-N 2 0 331.420 -0.437 20 0 EBADRP COCCN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000892180676 582568930 /nfs/dbraw/zinc/56/89/30/582568930.db2.gz OOCAUGMPRZEXQC-OAHLLOKOSA-N 2 0 328.457 -0.025 20 0 EBADRP O=C(NCC[NH+]1CCC(O)CC1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000892819558 582588558 /nfs/dbraw/zinc/58/85/58/582588558.db2.gz QMOMNYLBCRZXCO-DZGCQCFKSA-N 2 0 326.441 -0.395 20 0 EBADRP C[C@H]([C@H](C)NC(=O)N1CCN(C)CC[N@H+](C)CC1)N1CCOCC1 ZINC000892837379 582589104 /nfs/dbraw/zinc/58/91/04/582589104.db2.gz BLJQVTYPXRRLQH-JKSUJKDBSA-N 2 0 341.500 -0.016 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(C)CC[NH+](C)CC1 ZINC000892943783 582590788 /nfs/dbraw/zinc/59/07/88/582590788.db2.gz JGXHAFAFYPBMBD-INIZCTEOSA-N 2 0 341.500 -0.014 20 0 EBADRP C[NH+](C)C[C@](C)(O)CNc1ccnc(NC[C@](C)(O)C[NH+](C)C)n1 ZINC000892955981 582591142 /nfs/dbraw/zinc/59/11/42/582591142.db2.gz QGYYOJTXXPHAAD-CVEARBPZSA-N 2 0 340.472 -0.074 20 0 EBADRP CCN1CC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000897359052 582680435 /nfs/dbraw/zinc/68/04/35/582680435.db2.gz KMPQFMMHRGORSR-LSDHHAIUSA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)C1=O ZINC000899254118 582747411 /nfs/dbraw/zinc/74/74/11/582747411.db2.gz OIGFWJQRHTVATQ-DCGLDWPTSA-N 2 0 336.436 -0.347 20 0 EBADRP CN(C)C(=O)CN1CCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000899976794 582758857 /nfs/dbraw/zinc/75/88/57/582758857.db2.gz FUWRDFJZJJLBEW-MRXNPFEDSA-N 2 0 326.441 -0.934 20 0 EBADRP C[NH+](C)CC(=O)N1CCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900171406 582763169 /nfs/dbraw/zinc/76/31/69/582763169.db2.gz JUPXEILCOOUKEV-MRXNPFEDSA-N 2 0 326.441 -0.934 20 0 EBADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000900693481 582779511 /nfs/dbraw/zinc/77/95/11/582779511.db2.gz UFVSNXFZRRKKQE-RDJZCZTQSA-N 2 0 326.485 -0.074 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC000903609523 582813228 /nfs/dbraw/zinc/81/32/28/582813228.db2.gz JFFVJDOJGHUNNJ-GJZGRUSLSA-N 2 0 330.498 -0.315 20 0 EBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000903742158 582816669 /nfs/dbraw/zinc/81/66/69/582816669.db2.gz LWBMQLPCSZQVDG-ZDUSSCGKSA-N 2 0 326.441 -0.495 20 0 EBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000903744273 582816720 /nfs/dbraw/zinc/81/67/20/582816720.db2.gz ZJJKDMUHMLDMKD-ZDUSSCGKSA-N 2 0 326.441 -0.759 20 0 EBADRP O=C(N1CC[NH2+]CC1)N1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903769547 582817975 /nfs/dbraw/zinc/81/79/75/582817975.db2.gz IZWASTNQJIUINN-NVXWUHKLSA-N 2 0 337.468 -0.602 20 0 EBADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)C2)C1 ZINC000903776506 582820323 /nfs/dbraw/zinc/82/03/23/582820323.db2.gz RDKSZHKRQUFDHE-JTNHKYCSSA-N 2 0 348.369 -0.111 20 0 EBADRP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)cnn1C ZINC000903905252 582823293 /nfs/dbraw/zinc/82/32/93/582823293.db2.gz BULFSCNQKQSTNN-DOTOQJQBSA-N 2 0 348.495 -0.258 20 0 EBADRP C[C@]12C[NH+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C[C@]1(C)C(=O)NC2=O ZINC000903934688 582823824 /nfs/dbraw/zinc/82/38/24/582823824.db2.gz ITNASPKYVRACKV-IUIKQTSFSA-N 2 0 332.408 -0.313 20 0 EBADRP C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000768726742 583316973 /nfs/dbraw/zinc/31/69/73/583316973.db2.gz KLYNDFGXUAUHDG-ZDUSSCGKSA-N 2 0 336.440 -0.016 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCC=CO1 ZINC000805511731 583385841 /nfs/dbraw/zinc/38/58/41/583385841.db2.gz IVTWVVNZBQCYEU-AWEZNQCLSA-N 2 0 326.441 -0.253 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000793707764 583569017 /nfs/dbraw/zinc/56/90/17/583569017.db2.gz KCNLTSIHGCYXEJ-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP O=C(NCCCCn1ccnc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000793725093 583569236 /nfs/dbraw/zinc/56/92/36/583569236.db2.gz KAFYSBAUNYFCPK-HUUCEWRRSA-N 2 0 349.435 -0.241 20 0 EBADRP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804053360 583638271 /nfs/dbraw/zinc/63/82/71/583638271.db2.gz JFFQBVHXEBJCQD-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CC1(C)CN(C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)CC[N@@H+]1CCO ZINC000806737237 583654346 /nfs/dbraw/zinc/65/43/46/583654346.db2.gz RETFPHIYMPXWPX-GJZGRUSLSA-N 2 0 340.468 -0.052 20 0 EBADRP OC[C@H]1CC[N@H+](CCCCCC[NH+]2CC[C@@H](CO)[C@H](O)C2)C[C@@H]1O ZINC000808750908 583671962 /nfs/dbraw/zinc/67/19/62/583671962.db2.gz PCAWMVLILQCDSU-FZDBZEDMSA-N 2 0 344.496 -0.103 20 0 EBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)CC2)C1 ZINC000817994058 583733084 /nfs/dbraw/zinc/73/30/84/583733084.db2.gz ZJLBXYFZQPTHIU-PMPSAXMXSA-N 2 0 349.479 -0.955 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C[C@H]2[NH3+])cn1 ZINC000818647582 583746732 /nfs/dbraw/zinc/74/67/32/583746732.db2.gz AQLDABNSCPZDRK-XUWVNRHRSA-N 2 0 348.451 -0.281 20 0 EBADRP CON(C)C(=O)CC[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000819365836 583757415 /nfs/dbraw/zinc/75/74/15/583757415.db2.gz CCDDPPSQUWGUHT-UHFFFAOYSA-N 2 0 328.457 -0.218 20 0 EBADRP C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(=O)N3CC[C@@H]4C[N@@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000820273635 583770146 /nfs/dbraw/zinc/77/01/46/583770146.db2.gz YQSXURUQDYAWPM-LZEWCKNJSA-N 2 0 346.475 -0.053 20 0 EBADRP C[NH+]1C[C@H]2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)N3CC[C@H]4C[N@@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000820273638 583770188 /nfs/dbraw/zinc/77/01/88/583770188.db2.gz YQSXURUQDYAWPM-QGYQQZFISA-N 2 0 346.475 -0.053 20 0 EBADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@@H]3C(=O)N3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)C[C@H]21 ZINC000821758342 583803936 /nfs/dbraw/zinc/80/39/36/583803936.db2.gz NMNKXWZSSBYBGG-ATCYPMOYSA-N 2 0 346.475 -0.341 20 0 EBADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC000824826568 583850677 /nfs/dbraw/zinc/85/06/77/583850677.db2.gz LCUMRWWVDDFTBY-DZGCQCFKSA-N 2 0 348.513 -0.154 20 0 EBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3[nH]nc4c3C[NH2+]CC4)CC2)C1 ZINC000829715550 583957741 /nfs/dbraw/zinc/95/77/41/583957741.db2.gz OMCZRLWHCNBSAA-CYBMUJFWSA-N 2 0 332.452 -0.093 20 0 EBADRP [NH3+]C[C@H](NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCCC1 ZINC000842164266 584058551 /nfs/dbraw/zinc/05/85/51/584058551.db2.gz HRGNQOKPFRUECP-ILXRZTDVSA-N 2 0 338.452 -0.401 20 0 EBADRP C[C@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000842227059 584061212 /nfs/dbraw/zinc/06/12/12/584061212.db2.gz XDPXJFMAVGDRFI-OAHLLOKOSA-N 2 0 339.484 -0.612 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cn1 ZINC000846322368 584124699 /nfs/dbraw/zinc/12/46/99/584124699.db2.gz VBAHJBVFEBTERR-QGZVFWFLSA-N 2 0 348.451 -0.015 20 0 EBADRP O=C(NCCC1CC[NH2+]CC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000846331251 584124705 /nfs/dbraw/zinc/12/47/05/584124705.db2.gz SIMHERDENDJTMR-CABCVRRESA-N 2 0 338.452 -0.528 20 0 EBADRP [NH2+]=C(NC[C@@H]1CCC[N@H+]1CCCO)N1CCN(c2ncccn2)CC1 ZINC000849113248 584166111 /nfs/dbraw/zinc/16/61/11/584166111.db2.gz NLNPHBJPVMJSFI-HNNXBMFYSA-N 2 0 347.467 -0.030 20 0 EBADRP C[NH+]1CCN(c2ncccc2CNC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852872883 584218299 /nfs/dbraw/zinc/21/82/99/584218299.db2.gz MOVIPBFUSCSRHJ-CYBMUJFWSA-N 2 0 332.408 -0.447 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCO1 ZINC000852922387 584221119 /nfs/dbraw/zinc/22/11/19/584221119.db2.gz XSWXRVZQYWYHHG-ILXRZTDVSA-N 2 0 338.452 -0.624 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000861744934 584336962 /nfs/dbraw/zinc/33/69/62/584336962.db2.gz RSWDWRRACMQOQN-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000861749692 584337296 /nfs/dbraw/zinc/33/72/96/584337296.db2.gz GVUZCWKCJLWJMN-CYBMUJFWSA-N 2 0 348.451 -0.745 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861756360 584337900 /nfs/dbraw/zinc/33/79/00/584337900.db2.gz YDPVUGBRQBUFDW-MGPQQGTHSA-N 2 0 336.436 -0.633 20 0 EBADRP C[C@H]1CN(CC[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CCO1 ZINC000863548162 584372879 /nfs/dbraw/zinc/37/28/79/584372879.db2.gz OLRQSFDFCZBPTB-IMJJTQAJSA-N 2 0 338.452 -0.036 20 0 EBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000863769078 584377884 /nfs/dbraw/zinc/37/78/84/584377884.db2.gz IVJIPJKTOPURRU-KGLIPLIRSA-N 2 0 326.441 -0.637 20 0 EBADRP C[NH+](C)CC1CN(C(=O)C(F)(F)C(=O)N2CC(C[NH+](C)C)C2)C1 ZINC000866018436 584397933 /nfs/dbraw/zinc/39/79/33/584397933.db2.gz NCMNKBFQDZPMCE-UHFFFAOYSA-N 2 0 332.395 -0.338 20 0 EBADRP CC(C)(C)n1nnc(CC[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)n1 ZINC000866711371 584404259 /nfs/dbraw/zinc/40/42/59/584404259.db2.gz JHCVLJINOHPHAA-XQQFMLRXSA-N 2 0 349.439 -0.163 20 0 EBADRP [NH3+][C@@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C[C@H]1c1ccccc1 ZINC000866762624 584405652 /nfs/dbraw/zinc/40/56/52/584405652.db2.gz WRBZZOKSDYYOJO-SOUVJXGZSA-N 2 0 325.434 -0.269 20 0 EBADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)N=S(C)(C)=O)C[C@H]1C[NH+](C)C ZINC000867588999 584411784 /nfs/dbraw/zinc/41/17/84/584411784.db2.gz AYQOGZVKSGWWOA-VXGBXAGGSA-N 2 0 340.515 -0.370 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])C[C@H]1C[NH+](C)C ZINC000868387588 584427187 /nfs/dbraw/zinc/42/71/87/584427187.db2.gz OQHJZQKUIHAOGS-RBSFLKMASA-N 3 0 339.484 -0.866 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4CC[NH2+]CC4)C3)CC[C@H]21 ZINC000868409265 584428609 /nfs/dbraw/zinc/42/86/09/584428609.db2.gz AZGDVNOSZZRXTI-BZUAXINKSA-N 2 0 349.479 -0.955 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4CC[NH2+]CC4)C3)CC[C@@H]21 ZINC000868409267 584428864 /nfs/dbraw/zinc/42/88/64/584428864.db2.gz AZGDVNOSZZRXTI-OAGGEKHMSA-N 2 0 349.479 -0.955 20 0 EBADRP O=C(C[NH2+]C[C@H]1CCCO1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871004342 584451090 /nfs/dbraw/zinc/45/10/90/584451090.db2.gz KEAJMUFNDHMYAS-DGAVXFQQSA-N 2 0 338.408 -0.852 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000871816135 584457696 /nfs/dbraw/zinc/45/76/96/584457696.db2.gz BEHTYKRGBMFROY-CABCVRRESA-N 2 0 330.498 -0.172 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC000871816137 584457860 /nfs/dbraw/zinc/45/78/60/584457860.db2.gz BEHTYKRGBMFROY-GJZGRUSLSA-N 2 0 330.498 -0.172 20 0 EBADRP CN(C)C(=O)CN1CCN(C(=O)C[N@H+](C)CCCCCC[NH3+])CC1 ZINC000872155722 584458616 /nfs/dbraw/zinc/45/86/16/584458616.db2.gz UMFJQMMSRCCRLE-UHFFFAOYSA-N 2 0 341.500 -0.330 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872185487 584458714 /nfs/dbraw/zinc/45/87/14/584458714.db2.gz ASEHUEPRHZFEMW-WDEREUQCSA-N 2 0 338.374 -0.008 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872185482 584458767 /nfs/dbraw/zinc/45/87/67/584458767.db2.gz ASEHUEPRHZFEMW-GHMZBOCLSA-N 2 0 338.374 -0.008 20 0 EBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)CC[C@H]21 ZINC000872193305 584459655 /nfs/dbraw/zinc/45/96/55/584459655.db2.gz UMVVNDPSNCLQQY-BASYENTBSA-N 2 0 334.464 -0.003 20 0 EBADRP C[NH+](C)C[C@@H]1CN(Cn2nc3cnccn3c2=O)C[C@H]1C[NH+](C)C ZINC000872635935 584464350 /nfs/dbraw/zinc/46/43/50/584464350.db2.gz BSOVHGWFXSXALB-ZIAGYGMSSA-N 2 0 333.440 -0.480 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)CC[C@H]21 ZINC000872725101 584466417 /nfs/dbraw/zinc/46/64/17/584466417.db2.gz BPIBZEBTJJIPHZ-ZIAGYGMSSA-N 2 0 335.452 -0.014 20 0 EBADRP COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000876139344 584512163 /nfs/dbraw/zinc/51/21/63/584512163.db2.gz KLXTYXOSMLLGCI-ZIAGYGMSSA-N 2 0 344.456 -0.301 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876752484 584521945 /nfs/dbraw/zinc/52/19/45/584521945.db2.gz REZFIAOUYZEQIP-ZFWWWQNUSA-N 2 0 326.416 -0.299 20 0 EBADRP COC[C@]1(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[NH2+]CCO1 ZINC000876754792 584522306 /nfs/dbraw/zinc/52/23/06/584522306.db2.gz QKRYUTZVMGBTSJ-KRWDZBQOSA-N 2 0 341.452 -0.247 20 0 EBADRP COC[C@]1(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[NH2+]CCO1 ZINC000876763613 584522853 /nfs/dbraw/zinc/52/28/53/584522853.db2.gz GTIFSCSWAJVACD-PBHICJAKSA-N 2 0 340.468 -0.724 20 0 EBADRP COC[C@]1(C(=O)N2CCC(OCCC[NH+](C)C)CC2)C[NH2+]CCO1 ZINC000876891829 584526152 /nfs/dbraw/zinc/52/61/52/584526152.db2.gz HKTXRAYBBGHHPP-KRWDZBQOSA-N 2 0 343.468 -0.049 20 0 EBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000876996795 584528096 /nfs/dbraw/zinc/52/80/96/584528096.db2.gz DVZCOSLKFAAASP-OKYAQOQYSA-N 2 0 335.452 -0.433 20 0 EBADRP COC[C@]1(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C[NH2+]CCO1 ZINC000877326813 584531656 /nfs/dbraw/zinc/53/16/56/584531656.db2.gz GXCNPBWRPWYPRH-BBRMVZONSA-N 2 0 327.425 -0.734 20 0 EBADRP COC(=O)C[C@]1([NH2+]CC(=O)NC2CC[NH+](C)CC2)CCCOC1 ZINC000878444547 584540821 /nfs/dbraw/zinc/54/08/21/584540821.db2.gz ICCHKWYMLCRPRO-MRXNPFEDSA-N 2 0 327.425 -0.101 20 0 EBADRP OC[C@@H]1C[N@H+](C[C@H](C[NH+]2C[C@@H](O)[C@H](CO)C2)C2CCCC2)C[C@@H]1O ZINC000878702592 584543964 /nfs/dbraw/zinc/54/39/64/584543964.db2.gz ICSLNYMOOLSNJY-TXTZMMAHSA-N 2 0 342.480 -0.637 20 0 EBADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)CC1 ZINC000879531514 584553360 /nfs/dbraw/zinc/55/33/60/584553360.db2.gz GFRIWIVEOSFIKH-OKILXGFUSA-N 2 0 336.436 -0.478 20 0 EBADRP Cn1nc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1=O ZINC000879907532 584558680 /nfs/dbraw/zinc/55/86/80/584558680.db2.gz VIQUCFSWVAEERU-CHWSQXEVSA-N 2 0 336.440 -0.017 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N(C)CCOCC[NH3+])CCN1c1cc[nH+]cc1 ZINC000883642416 584604066 /nfs/dbraw/zinc/60/40/66/584604066.db2.gz LHBXLORZNAKTCN-AWEZNQCLSA-N 2 0 349.435 -0.448 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2C[NH2+]CC2(C)C)cn1 ZINC000884226115 584619171 /nfs/dbraw/zinc/61/91/71/584619171.db2.gz LDRJOJBDAUVXDT-CYBMUJFWSA-N 2 0 336.440 -0.255 20 0 EBADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000884560452 584627660 /nfs/dbraw/zinc/62/76/60/584627660.db2.gz XZDWUGRCXFXIJM-AJNGGQMLSA-N 2 0 338.452 -0.401 20 0 EBADRP CCC1([NH3+])CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000884597853 584628929 /nfs/dbraw/zinc/62/89/29/584628929.db2.gz MBQDPNOPUBLXKY-UHFFFAOYSA-N 2 0 340.468 -0.055 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000884597948 584629072 /nfs/dbraw/zinc/62/90/72/584629072.db2.gz PHWOMXYFNLDIPX-GJZGRUSLSA-N 2 0 337.468 -0.907 20 0 EBADRP CCN(C(=O)C(=O)NC[C@H]1CCC[N@@H+]1CCOC)[C@@H]1CC[NH2+]C1 ZINC000884603227 584629286 /nfs/dbraw/zinc/62/92/86/584629286.db2.gz FHZIXDALEFNNNU-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000884603387 584629331 /nfs/dbraw/zinc/62/93/31/584629331.db2.gz IOYQPKSDRXKPKV-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884603695 584629363 /nfs/dbraw/zinc/62/93/63/584629363.db2.gz OZHKUMTYTJFTGY-RBSFLKMASA-N 2 0 340.468 -0.153 20 0 EBADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000884631274 584630706 /nfs/dbraw/zinc/63/07/06/584630706.db2.gz FHAATJZJOFKLMC-QWHCGFSZSA-N 2 0 344.406 -0.052 20 0 EBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000884640298 584631169 /nfs/dbraw/zinc/63/11/69/584631169.db2.gz ZMBMSUMETISGSW-CQSZACIVSA-N 2 0 338.452 -0.303 20 0 EBADRP CCC1([NH3+])CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000884643107 584631225 /nfs/dbraw/zinc/63/12/25/584631225.db2.gz XIGIPSMEDGTCLX-CYBMUJFWSA-N 2 0 326.441 -0.447 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884642963 584631284 /nfs/dbraw/zinc/63/12/84/584631284.db2.gz UEAHCLMUWTXNGN-UONOGXRCSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH2+]CC2)CCN1c1cc[nH+]cc1 ZINC000884674607 584632969 /nfs/dbraw/zinc/63/29/69/584632969.db2.gz AIBCILQPMOBRKR-CYBMUJFWSA-N 2 0 331.420 -0.013 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CCN1c1cc[nH+]cc1 ZINC000884678946 584633706 /nfs/dbraw/zinc/63/37/06/584633706.db2.gz PWDGOFOCXBIGDI-DOMZBBRYSA-N 2 0 331.420 -0.028 20 0 EBADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000884692612 584634842 /nfs/dbraw/zinc/63/48/42/584634842.db2.gz KRXQRMAMNIECOL-UKRRQHHQSA-N 2 0 330.432 -0.041 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CCN1c1cc[nH+]cc1 ZINC000884725918 584636595 /nfs/dbraw/zinc/63/65/95/584636595.db2.gz CIDKBYSHSRSGDC-DZGCQCFKSA-N 2 0 347.419 -0.777 20 0 EBADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000884986172 584642277 /nfs/dbraw/zinc/64/22/77/584642277.db2.gz JXFDPQDFLPPSFC-UYJPIKCFSA-N 2 0 326.441 -0.448 20 0 EBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000885138157 584644048 /nfs/dbraw/zinc/64/40/48/584644048.db2.gz QZDPUGGSHWUHGF-UONOGXRCSA-N 2 0 338.452 -0.528 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885143760 584644303 /nfs/dbraw/zinc/64/43/03/584644303.db2.gz OGOBXDMFHUMPOZ-CYBMUJFWSA-N 2 0 326.441 -0.719 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885147099 584644541 /nfs/dbraw/zinc/64/45/41/584644541.db2.gz UJVAXVXUKGLFCF-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCCC(C)(C)[NH3+])C[C@H](C)O1 ZINC000885200016 584645593 /nfs/dbraw/zinc/64/55/93/584645593.db2.gz ZMYCGVNAGCTFSF-BETUJISGSA-N 2 0 328.457 -0.155 20 0 EBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000885292529 584647548 /nfs/dbraw/zinc/64/75/48/584647548.db2.gz WEVNPITWAQVQRI-VXGBXAGGSA-N 2 0 332.395 -0.100 20 0 EBADRP O=C(C[NH+]1C[C@@H]2C[C@@H]2C1)N1CCN(C(=O)C[N@@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC000886327749 584663473 /nfs/dbraw/zinc/66/34/73/584663473.db2.gz QYCDGOHWOPNONB-GEEKYZPCSA-N 2 0 332.448 -0.439 20 0 EBADRP CCN(C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@H]1CC[NH2+]C1 ZINC000887070567 584675474 /nfs/dbraw/zinc/67/54/74/584675474.db2.gz OOBTUSODLJNBHV-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)C[C@H]1[NH3+] ZINC000887091787 584676256 /nfs/dbraw/zinc/67/62/56/584676256.db2.gz WGCFFQBMFOUYPO-VNHYZAJKSA-N 2 0 331.420 -0.076 20 0 EBADRP C[C@H](CNC(=S)NCC[NH+](C)C)NC(=S)NCC[NH+](C)C ZINC000047805849 649948733 /nfs/dbraw/zinc/94/87/33/649948733.db2.gz DRNVCJBMHYYGJK-LLVKDONJSA-N 2 0 334.559 -0.574 20 0 EBADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000124202967 649975195 /nfs/dbraw/zinc/97/51/95/649975195.db2.gz SHKAILGRBNSBRG-UHFFFAOYSA-N 2 0 336.440 -0.063 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC[C@H]1[NH3+] ZINC000904985665 650055392 /nfs/dbraw/zinc/05/53/92/650055392.db2.gz DDRWPFMBQVXGNI-TUVASFSCSA-N 2 0 338.452 -0.760 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C[C@H]1C[NH3+] ZINC000904988998 650055535 /nfs/dbraw/zinc/05/55/35/650055535.db2.gz XEPXHTJZKYIPGO-KBUPBQIOSA-N 2 0 338.452 -0.903 20 0 EBADRP [NH3+]CC1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000904990605 650056262 /nfs/dbraw/zinc/05/62/62/650056262.db2.gz PZYJNXYHJXPGJR-LSDHHAIUSA-N 2 0 338.452 -0.759 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000904994400 650056874 /nfs/dbraw/zinc/05/68/74/650056874.db2.gz GEQHTEKRZRLGOQ-GJZGRUSLSA-N 2 0 340.468 -0.188 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000904995204 650057018 /nfs/dbraw/zinc/05/70/18/650057018.db2.gz KQIPRAAMMXQMDA-PBHICJAKSA-N 2 0 338.452 -0.623 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000905016566 650060128 /nfs/dbraw/zinc/06/01/28/650060128.db2.gz SRDVIDXULOAQPC-KBPBESRZSA-N 2 0 326.441 -0.767 20 0 EBADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905110106 650061991 /nfs/dbraw/zinc/06/19/91/650061991.db2.gz HNHCORKYENQOMU-BRWVUGGUSA-N 2 0 329.485 -0.248 20 0 EBADRP COC(=O)c1cc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)n(C)c1C ZINC000905436685 650063497 /nfs/dbraw/zinc/06/34/97/650063497.db2.gz DKIFQIAHNDQGOT-HNNXBMFYSA-N 2 0 338.452 -0.182 20 0 EBADRP O[C@H](CN1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1)C[NH+]1CCCC1 ZINC000906612022 650069159 /nfs/dbraw/zinc/06/91/59/650069159.db2.gz GLXVYIHKIKUCEG-ROUUACIJSA-N 2 0 340.512 -0.483 20 0 EBADRP COC(=O)[C@@H]1CN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC[N@H+](C)C1 ZINC000910414058 650110805 /nfs/dbraw/zinc/11/08/05/650110805.db2.gz YYZHCMYFFQJTPL-UONOGXRCSA-N 2 0 325.409 -0.730 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000910959828 650142428 /nfs/dbraw/zinc/14/24/28/650142428.db2.gz RSWFTWKUOYJFJS-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@H]2CCOC)CC1 ZINC000910964050 650142436 /nfs/dbraw/zinc/14/24/36/650142436.db2.gz RBTPFLBJSGGHSX-CQSZACIVSA-N 2 0 326.441 -0.576 20 0 EBADRP CC[NH+]1CCC(CCNC(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000910976571 650142928 /nfs/dbraw/zinc/14/29/28/650142928.db2.gz BAJMJHNAYBHJPJ-UHFFFAOYSA-N 2 0 339.484 -0.754 20 0 EBADRP C[NH2+]CCN(C(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C(C)C ZINC000910991553 650144202 /nfs/dbraw/zinc/14/42/02/650144202.db2.gz IEXNQEHOXSWYLE-OAHLLOKOSA-N 2 0 342.484 -0.084 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CC1 ZINC000911002973 650144875 /nfs/dbraw/zinc/14/48/75/650144875.db2.gz DVJGSHKXPAKSGC-QGZVFWFLSA-N 2 0 338.452 -0.432 20 0 EBADRP CCC[NH+]1CCC(CNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000911002640 650144879 /nfs/dbraw/zinc/14/48/79/650144879.db2.gz CUQHXABDKNGMHY-QGZVFWFLSA-N 2 0 340.468 -0.463 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000911013912 650145596 /nfs/dbraw/zinc/14/55/96/650145596.db2.gz FEROSZZKPQDEQU-AWEZNQCLSA-N 2 0 331.376 -0.603 20 0 EBADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000911013975 650145704 /nfs/dbraw/zinc/14/57/04/650145704.db2.gz GMJXCQYCXBZKBF-CJNGLKHVSA-N 2 0 326.441 -0.853 20 0 EBADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000911065270 650148694 /nfs/dbraw/zinc/14/86/94/650148694.db2.gz ACMNJDUDUIJIEC-KRWDZBQOSA-N 2 0 340.468 -0.465 20 0 EBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000911072249 650149338 /nfs/dbraw/zinc/14/93/38/650149338.db2.gz HOYVDEBGPQKBFR-ZIAGYGMSSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)[NH+]1CCC(C)CC1 ZINC000911091775 650150675 /nfs/dbraw/zinc/15/06/75/650150675.db2.gz PUGPZCQCFACYHW-WMLDXEAASA-N 2 0 340.468 -0.465 20 0 EBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000911145671 650153708 /nfs/dbraw/zinc/15/37/08/650153708.db2.gz GUNUXZUXQQDTJC-TZMCWYRMSA-N 2 0 338.452 -0.448 20 0 EBADRP C[NH2+]CCN(C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(C)C ZINC000911147798 650154311 /nfs/dbraw/zinc/15/43/11/650154311.db2.gz JOCAAHGOTCOHFO-KGLIPLIRSA-N 2 0 326.441 -0.578 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911149184 650154943 /nfs/dbraw/zinc/15/49/43/650154943.db2.gz VBPCKZPXDXDJJY-CPUCHLNUSA-N 2 0 336.436 -0.680 20 0 EBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911149167 650155022 /nfs/dbraw/zinc/15/50/22/650155022.db2.gz VAZYLOHSNFYLSX-KKUMJFAQSA-N 2 0 338.452 -0.386 20 0 EBADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000911160560 650155327 /nfs/dbraw/zinc/15/53/27/650155327.db2.gz FBBOEAOGTHTIMP-INIZCTEOSA-N 2 0 326.441 -0.853 20 0 EBADRP C[C@H](NC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2)[C@H]1CN(C)CCO1 ZINC000911161292 650155466 /nfs/dbraw/zinc/15/54/66/650155466.db2.gz FWAVYAGDLADVFX-JJRVBVJISA-N 2 0 338.452 -0.434 20 0 EBADRP CN(C(=O)C(=O)NCC[N@H+](C)C1CCCC1)C1(C[NH3+])CCOCC1 ZINC000911237379 650161689 /nfs/dbraw/zinc/16/16/89/650161689.db2.gz WNXKAJHTERSETL-UHFFFAOYSA-N 2 0 340.468 -0.057 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000911177468 650157075 /nfs/dbraw/zinc/15/70/75/650157075.db2.gz SENOBURFJJRFKO-RHSMWYFYSA-N 2 0 340.468 -0.199 20 0 EBADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000911182676 650157232 /nfs/dbraw/zinc/15/72/32/650157232.db2.gz FFAWTUXEUBLTSU-CQSZACIVSA-N 2 0 326.441 -0.588 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911196269 650159069 /nfs/dbraw/zinc/15/90/69/650159069.db2.gz WCZYEPUEXIDPTO-GJZGRUSLSA-N 2 0 340.468 -0.138 20 0 EBADRP C[NH2+]CCN(C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1)C(C)C ZINC000911199120 650159074 /nfs/dbraw/zinc/15/90/74/650159074.db2.gz LAGBSBGKKFIIHQ-OAHLLOKOSA-N 2 0 330.498 -0.004 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000911207254 650159740 /nfs/dbraw/zinc/15/97/40/650159740.db2.gz GTLMVDPBGLDCAF-XJKSGUPXSA-N 2 0 326.441 -0.711 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000911220255 650160822 /nfs/dbraw/zinc/16/08/22/650160822.db2.gz UMDGFIYAGFQTIU-UKRRQHHQSA-N 2 0 338.452 -0.410 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000911240518 650162495 /nfs/dbraw/zinc/16/24/95/650162495.db2.gz JDUXAUJNJJXKQV-RHSMWYFYSA-N 2 0 338.452 -0.432 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000911242492 650162608 /nfs/dbraw/zinc/16/26/08/650162608.db2.gz ISTLPUALHLIKDI-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000911248246 650163623 /nfs/dbraw/zinc/16/36/23/650163623.db2.gz VHTXXRHWSKFYGY-CYBMUJFWSA-N 2 0 340.468 -0.141 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000911259724 650163801 /nfs/dbraw/zinc/16/38/01/650163801.db2.gz ZPMYVEJSOPWTFZ-XJKSGUPXSA-N 2 0 326.441 -0.589 20 0 EBADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000911259281 650163824 /nfs/dbraw/zinc/16/38/24/650163824.db2.gz XHILLKBBKKBVHA-CXAGYDPISA-N 2 0 340.468 -0.465 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)C[NH+](C)C ZINC000911299799 650167854 /nfs/dbraw/zinc/16/78/54/650167854.db2.gz ZUIKHBGHZQYWLW-BBRMVZONSA-N 2 0 328.457 -0.425 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])C1 ZINC000911242677 650162234 /nfs/dbraw/zinc/16/22/34/650162234.db2.gz RQBBWLAYGAVDLG-GRDNDAEWSA-N 2 0 338.452 -0.447 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)C[NH+](C)C ZINC000911310492 650169471 /nfs/dbraw/zinc/16/94/71/650169471.db2.gz LNWZTAQTQFZSKH-AWEZNQCLSA-N 2 0 326.441 -0.505 20 0 EBADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)c1cccnc1 ZINC000911312155 650170265 /nfs/dbraw/zinc/17/02/65/650170265.db2.gz VQSCOBIYYBTPKB-LSDHHAIUSA-N 2 0 349.435 -0.705 20 0 EBADRP CC1([NH+]2CCC2)CCC(NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000911311074 650170349 /nfs/dbraw/zinc/17/03/49/650170349.db2.gz OVPDXTKBGKKVLI-XOYHFGRZSA-N 2 0 338.452 -0.386 20 0 EBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911414009 650180020 /nfs/dbraw/zinc/18/00/20/650180020.db2.gz XDGAFCUORQSXFP-OAHLLOKOSA-N 2 0 339.484 -0.532 20 0 EBADRP [NH3+]CC1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCSC[C@@H]23)CC1 ZINC000911422247 650182767 /nfs/dbraw/zinc/18/27/67/650182767.db2.gz YQHOIASKPFQWLC-KGLIPLIRSA-N 2 0 340.493 -0.120 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1)C[NH+](C)C ZINC000911432983 650183169 /nfs/dbraw/zinc/18/31/69/650183169.db2.gz AEUBRABHPJEQTG-MCIONIFRSA-N 2 0 328.457 -0.487 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1)C[NH+](C)C ZINC000911434213 650183480 /nfs/dbraw/zinc/18/34/80/650183480.db2.gz GXCHWHPDIJAERQ-HZSPNIEDSA-N 2 0 328.457 -0.487 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])C[NH+](C)C ZINC000911433991 650183484 /nfs/dbraw/zinc/18/34/84/650183484.db2.gz GTKWVZCREDTQOR-BFHYXJOUSA-N 2 0 328.457 -0.202 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)C[NH+](C)C ZINC000911433745 650183554 /nfs/dbraw/zinc/18/35/54/650183554.db2.gz CZWGTNJOLKILDF-CZUORRHYSA-N 2 0 326.441 -0.719 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)C[NH+](C)C ZINC000911437183 650184288 /nfs/dbraw/zinc/18/42/88/650184288.db2.gz ZMIUGMZXSFWNMR-MELADBBJSA-N 2 0 328.457 -0.487 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)C[NH+](C)C ZINC000911437181 650184389 /nfs/dbraw/zinc/18/43/89/650184389.db2.gz ZMIUGMZXSFWNMR-BFHYXJOUSA-N 2 0 328.457 -0.487 20 0 EBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000911531292 650190829 /nfs/dbraw/zinc/19/08/29/650190829.db2.gz GOYGIVGOQWZHTG-INIZCTEOSA-N 2 0 326.441 -0.853 20 0 EBADRP CN(C(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1)C1(C[NH3+])CCOCC1 ZINC000911533054 650190987 /nfs/dbraw/zinc/19/09/87/650190987.db2.gz MUSBDMJKTPQPGQ-UHFFFAOYSA-N 2 0 340.468 -0.199 20 0 EBADRP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000911540886 650192193 /nfs/dbraw/zinc/19/21/93/650192193.db2.gz BBCKJJIXYLVGTQ-NWANDNLSSA-N 2 0 329.404 -0.261 20 0 EBADRP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000911546996 650192771 /nfs/dbraw/zinc/19/27/71/650192771.db2.gz TVLZANGFBIJCIG-VYDRJRHOSA-N 2 0 336.436 -0.947 20 0 EBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1ccnn1CC[NH+](C)C ZINC000911545675 650192787 /nfs/dbraw/zinc/19/27/87/650192787.db2.gz QUMZUFXSQCLFDH-CYBMUJFWSA-N 2 0 336.440 -0.363 20 0 EBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911557251 650193508 /nfs/dbraw/zinc/19/35/08/650193508.db2.gz NGLOBBSSYIZRIN-MGPQQGTHSA-N 2 0 338.452 -0.448 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000911559209 650193524 /nfs/dbraw/zinc/19/35/24/650193524.db2.gz CGUIPDJNJUMHGJ-RBSFLKMASA-N 2 0 340.468 -0.201 20 0 EBADRP CN1CCN(c2cc[nH+]c(NC(=O)[C@@H]3OCCN(C)C3=O)c2)CC1 ZINC000913664267 650243006 /nfs/dbraw/zinc/24/30/06/650243006.db2.gz DZDMWWCCVCWMJQ-AWEZNQCLSA-N 2 0 333.392 -0.371 20 0 EBADRP Cc1cc(N2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)n2ncnc2n1 ZINC000923324644 650338044 /nfs/dbraw/zinc/33/80/44/650338044.db2.gz XREULYJCESELSG-CQSZACIVSA-N 2 0 343.435 -0.067 20 0 EBADRP O=C(CN1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1)N1CCCC1 ZINC000923319953 650338080 /nfs/dbraw/zinc/33/80/80/650338080.db2.gz RBBOWCUDGVWJCC-MRXNPFEDSA-N 2 0 336.480 -0.005 20 0 EBADRP Cn1cc(CN(CCC[NH2+]C2CC2)[C@H]2CC[NH2+]C2)c(=O)n(C)c1=O ZINC000923341447 650338182 /nfs/dbraw/zinc/33/81/82/650338182.db2.gz XROJLYGBMXKNAB-HNNXBMFYSA-N 2 0 335.452 -0.610 20 0 EBADRP [NH3+]CC(C[NH3+])NCc1cc(=O)n2cc(Br)ccc2n1 ZINC000923353104 650339046 /nfs/dbraw/zinc/33/90/46/650339046.db2.gz SSUKRMBZXVKDNV-UHFFFAOYSA-N 2 0 326.198 -0.167 20 0 EBADRP CNC(=O)c1nc(C2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)n[nH]1 ZINC000923417043 650339349 /nfs/dbraw/zinc/33/93/49/650339349.db2.gz STZRPKIHCBSDBM-GFCCVEGCSA-N 2 0 334.424 -0.278 20 0 EBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@@H](O)COC[C@H]1CCCO1)C2 ZINC000923428528 650339944 /nfs/dbraw/zinc/33/99/44/650339944.db2.gz IJHGHJKLTFDTQD-GHYKFQNRSA-N 2 0 342.436 -0.245 20 0 EBADRP CC(=O)N1CCN(C(=O)C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)CC1 ZINC000923458902 650341279 /nfs/dbraw/zinc/34/12/79/650341279.db2.gz WHBBPMWLQCAYIK-HNNXBMFYSA-N 2 0 338.452 -0.493 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000923476604 650341468 /nfs/dbraw/zinc/34/14/68/650341468.db2.gz CREIQJQSSJVHHI-WBVHZDCISA-N 2 0 342.484 -0.755 20 0 EBADRP C[NH+]1CCN(Cc2ccc(CNS(=O)(=O)C3C[NH2+]C3)cc2)CC1 ZINC000923588240 650345157 /nfs/dbraw/zinc/34/51/57/650345157.db2.gz BBLIYCUYLNBUDD-UHFFFAOYSA-N 2 0 338.477 -0.175 20 0 EBADRP O=S(=O)(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000923639844 650349759 /nfs/dbraw/zinc/34/97/59/650349759.db2.gz VGEZGLGVMFICEM-WDEREUQCSA-N 2 0 344.403 -0.506 20 0 EBADRP O=S(=O)([C@H]1CCC[NH2+]C1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000923648134 650350494 /nfs/dbraw/zinc/35/04/94/650350494.db2.gz HFFTYCVOGCFVHI-MJBXVCDLSA-N 2 0 329.466 -0.231 20 0 EBADRP [NH3+]C[C@@H]1CN(S(=O)(=O)N2CC[NH2+]CC2)CC[C@@H]1C(F)(F)F ZINC000923661734 650351363 /nfs/dbraw/zinc/35/13/63/650351363.db2.gz KRMVZZOGJWIEIU-ZJUUUORDSA-N 2 0 330.376 -0.405 20 0 EBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926341712 650387551 /nfs/dbraw/zinc/38/75/51/650387551.db2.gz HDWIRNYHHCUREO-PBHICJAKSA-N 2 0 340.468 -0.369 20 0 EBADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926321545 650386057 /nfs/dbraw/zinc/38/60/57/650386057.db2.gz QYNYFBUFACPUEB-AWEZNQCLSA-N 2 0 339.484 -0.804 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)[C@@H](C)C1 ZINC000926348900 650387895 /nfs/dbraw/zinc/38/78/95/650387895.db2.gz WMDRGWQJURMAPQ-GRDNDAEWSA-N 2 0 340.468 -0.513 20 0 EBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@]([NH3+])(CO)C3)CC[C@H]21 ZINC000926367293 650389388 /nfs/dbraw/zinc/38/93/88/650389388.db2.gz KQGNKPXEYQVURJ-CKEIUWERSA-N 2 0 338.452 -0.759 20 0 EBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@]([NH3+])(CO)C3)CC[C@@H]21 ZINC000926367296 650389443 /nfs/dbraw/zinc/38/94/43/650389443.db2.gz KQGNKPXEYQVURJ-KEYYUXOJSA-N 2 0 338.452 -0.759 20 0 EBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926359717 650389447 /nfs/dbraw/zinc/38/94/47/650389447.db2.gz XXXNGFLJUPTSMQ-MRXNPFEDSA-N 2 0 328.457 -0.511 20 0 EBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000926381866 650390241 /nfs/dbraw/zinc/39/02/41/650390241.db2.gz YHXPXDUMBCUIDE-BBRMVZONSA-N 2 0 326.441 -0.760 20 0 EBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927638967 651506067 /nfs/dbraw/zinc/50/60/67/651506067.db2.gz FZNPCHLHSMURCS-ZBFHGGJFSA-N 2 0 328.457 -0.149 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[C@H]1C[NH3+] ZINC000927890031 651511741 /nfs/dbraw/zinc/51/17/41/651511741.db2.gz DVKLYLQOWDSKGG-STQMWFEESA-N 2 0 336.440 -0.174 20 0 EBADRP OC(C[NH+]1CC[C@@H](C2OCCO2)C1)C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932002896 651660130 /nfs/dbraw/zinc/66/01/30/651660130.db2.gz KODJPHAGIAVRGK-ZIAGYGMSSA-N 2 0 342.436 -0.263 20 0 EBADRP O[C@H](C[NH+]1CC[C@@H](C2OCCO2)C1)C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000932002895 651660281 /nfs/dbraw/zinc/66/02/81/651660281.db2.gz KODJPHAGIAVRGK-QDMKHBRRSA-N 2 0 342.436 -0.263 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)C[NH+](C)C ZINC000932469224 651682813 /nfs/dbraw/zinc/68/28/13/651682813.db2.gz NADSQMHNGRXWFO-KBPBESRZSA-N 2 0 328.457 -0.378 20 0 EBADRP COC[C@@H](C)[NH+]1CC(N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000941641179 652850645 /nfs/dbraw/zinc/85/06/45/652850645.db2.gz XPNUOPCTWGFQNT-OAHLLOKOSA-N 2 0 336.480 -0.055 20 0 EBADRP CO[C@@H](C)C[NH+]1CC(N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000941640873 652851165 /nfs/dbraw/zinc/85/11/65/652851165.db2.gz HONQPWOGTVXMLM-HNNXBMFYSA-N 2 0 336.480 -0.055 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+][C@H]3CCNC3=O)CC2)CC[N@@H+]1C ZINC000946921117 653265813 /nfs/dbraw/zinc/26/58/13/653265813.db2.gz BJCGGFRTIZFGLI-MCIONIFRSA-N 2 0 338.452 -0.842 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCC(O)(C[NH2+][C@H]3CCNC3=O)CC2)CC1 ZINC000946924123 653269824 /nfs/dbraw/zinc/26/98/24/653269824.db2.gz CBCOOPAAEIKWPU-AWEZNQCLSA-N 2 0 338.452 -0.840 20 0 EBADRP CC[C@H](C(=O)N1CCOC2(CC[NH+]([C@H](C)C(N)=O)CC2)C1)[NH+](C)C ZINC000949124478 653804220 /nfs/dbraw/zinc/80/42/20/653804220.db2.gz ZWQBCBFCOKLHJM-ZIAGYGMSSA-N 2 0 340.468 -0.106 20 0 EBADRP O=C(NC[C@@H]1C[N@H+](CCCO)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC000958176130 722318496 /nfs/dbraw/zinc/31/84/96/722318496.db2.gz QHFHYWMCJYGXDI-HUUCEWRRSA-N 2 0 325.453 -0.346 20 0 EBADRP O=C(NC[C@@H]1C[N@H+](CCCO)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC000958176128 722318714 /nfs/dbraw/zinc/31/87/14/722318714.db2.gz QHFHYWMCJYGXDI-CABCVRRESA-N 2 0 325.453 -0.346 20 0 EBADRP Cn1cc(C[N@@H+]2C[C@H](O)[C@H](CNC(=O)C34CCC[NH+]3CCC4)C2)cn1 ZINC000958214582 722328480 /nfs/dbraw/zinc/32/84/80/722328480.db2.gz JTECBIFVJCKFSM-CVEARBPZSA-N 2 0 347.463 -0.043 20 0 EBADRP Cc1nn(C)cc1C[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958373519 722354037 /nfs/dbraw/zinc/35/40/37/722354037.db2.gz GVMUHJVBICNMCI-WBVHZDCISA-N 2 0 349.479 -0.021 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NC[C@H]2C[N@H+](CCCF)C[C@@H]2O)cn1 ZINC000958466816 722371285 /nfs/dbraw/zinc/37/12/85/722371285.db2.gz BDWUPZGIOPKRBU-ZFWWWQNUSA-N 2 0 341.431 -0.173 20 0 EBADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000959950257 722777323 /nfs/dbraw/zinc/77/73/23/722777323.db2.gz GURBIMWSMPRZBA-MYZSUADSSA-N 2 0 348.451 -0.631 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCN4C(=O)CCC4=O)C[C@H]32)CC[N@@H+]1C ZINC000959964453 722778229 /nfs/dbraw/zinc/77/82/29/722778229.db2.gz GHNVDELJZXNNRD-MAKQCAJESA-N 2 0 348.447 -0.478 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC000960216988 722807409 /nfs/dbraw/zinc/80/74/09/722807409.db2.gz QDQJJRUHUVGORW-UONOGXRCSA-N 2 0 336.436 -0.142 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC000960591692 722842371 /nfs/dbraw/zinc/84/23/71/722842371.db2.gz GEUYDNKNDOHAHD-QDEZUTFSSA-N 2 0 348.447 -0.334 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3OCCN(C(=O)Cc4cnc[nH]4)[C@H]3C2)C1 ZINC000961052980 722891031 /nfs/dbraw/zinc/89/10/31/722891031.db2.gz FIPKRVTXCQOLCY-VHDGCEQUSA-N 2 0 347.419 -0.658 20 0 EBADRP O=C(N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)C12CCC[NH+](CCC1)C2 ZINC001019030248 728776871 /nfs/dbraw/zinc/77/68/71/728776871.db2.gz FOBGQKRONZFYQG-UONOGXRCSA-N 2 0 348.447 -0.142 20 0 EBADRP CC(C)(C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)[NH+]1CCCC1 ZINC000961469462 723023984 /nfs/dbraw/zinc/02/39/84/723023984.db2.gz ZXVMLOKACLVJHB-COMQUAJESA-N 2 0 348.447 -0.288 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)C1 ZINC000961594121 723042419 /nfs/dbraw/zinc/04/24/19/723042419.db2.gz FNWHAHCILIYLQG-OAGGEKHMSA-N 2 0 346.475 -0.049 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)C1 ZINC000961594118 723042499 /nfs/dbraw/zinc/04/24/99/723042499.db2.gz FNWHAHCILIYLQG-HRCADAONSA-N 2 0 346.475 -0.049 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N(C)C4CC4)C[C@H]32)C1 ZINC000961766228 723075819 /nfs/dbraw/zinc/07/58/19/723075819.db2.gz SXMNWTAUUVAGMI-CTNYNGJSSA-N 2 0 334.464 -0.005 20 0 EBADRP C[NH+]1CCC(CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC000961959645 723131618 /nfs/dbraw/zinc/13/16/18/723131618.db2.gz WLHMORWOKJXZJS-OEUWWYETSA-N 2 0 348.447 -0.430 20 0 EBADRP O=C(NC1CC(C[NH2+][C@@H]2CCC(=O)NC2=O)C1)C12CCC[NH+]1CCC2 ZINC000962033180 723153602 /nfs/dbraw/zinc/15/36/02/723153602.db2.gz MDFROINSMSHBDU-JXQTWKCFSA-N 2 0 348.447 -0.096 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[NH+](CCN4CCNC4=O)C[C@H]32)C1 ZINC000962293591 723219030 /nfs/dbraw/zinc/21/90/30/723219030.db2.gz PHHLKSUMNGBFMK-NYTXWWLZSA-N 2 0 335.452 -0.600 20 0 EBADRP Cn1nncc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001019168852 728814409 /nfs/dbraw/zinc/81/44/09/728814409.db2.gz ZPIUDJRUSSQJSV-INCLHDFMSA-N 2 0 346.435 -0.631 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)CC[N@@H+]1C ZINC000963525320 723442747 /nfs/dbraw/zinc/44/27/47/723442747.db2.gz IVMOJTNUSYDGRL-TUVASFSCSA-N 2 0 338.452 -0.890 20 0 EBADRP C[NH+](C)Cc1ccoc1C(=O)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001019297557 728852113 /nfs/dbraw/zinc/85/21/13/728852113.db2.gz AEGXURBSAROEHR-QWHCGFSZSA-N 2 0 348.403 -0.050 20 0 EBADRP CC[C@H](C(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000964290744 723944072 /nfs/dbraw/zinc/94/40/72/723944072.db2.gz VHADYUKNCFLUHW-RBSFLKMASA-N 2 0 340.468 -0.236 20 0 EBADRP CC[C@@H](C(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000964291147 723944452 /nfs/dbraw/zinc/94/44/52/723944452.db2.gz VHADYUKNCFLUHW-SOUVJXGZSA-N 2 0 340.468 -0.236 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@H]([NH2+][C@@H]3CCCNC3=O)C2)cn1 ZINC001019496966 728900810 /nfs/dbraw/zinc/90/08/10/728900810.db2.gz HUMBEKDFMBOPMO-LSDHHAIUSA-N 2 0 348.451 -0.473 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1)[NH+](C)C ZINC000968452879 725065992 /nfs/dbraw/zinc/06/59/92/725065992.db2.gz VIUMRJQWMWMPBA-KFWWJZLASA-N 2 0 340.468 -0.644 20 0 EBADRP CN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)C2)C1=O ZINC000968719374 725109337 /nfs/dbraw/zinc/10/93/37/725109337.db2.gz RZLNIFIMAAVTAC-KGLIPLIRSA-N 2 0 348.451 -0.521 20 0 EBADRP C[NH+](C)C1(C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)CCC1 ZINC000968904100 725127198 /nfs/dbraw/zinc/12/71/98/725127198.db2.gz JIFYERMFJIEVAU-GFCCVEGCSA-N 2 0 337.424 -0.787 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC000969098344 725151432 /nfs/dbraw/zinc/15/14/32/725151432.db2.gz VFXUYGUIJQKQCG-KGLIPLIRSA-N 2 0 336.436 -0.190 20 0 EBADRP C[C@@H](NC(=O)[C@H]1CN(C)CCO1)C1C[NH+](Cc2ccn(C)c(=O)c2)C1 ZINC000969442959 725181382 /nfs/dbraw/zinc/18/13/82/725181382.db2.gz VKWMGZXTHQBTLQ-CZUORRHYSA-N 2 0 348.447 -0.348 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC000969952063 725231605 /nfs/dbraw/zinc/23/16/05/725231605.db2.gz UYTZTUPKOFKAOH-HUUCEWRRSA-N 2 0 338.452 -0.480 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC000969952066 725231658 /nfs/dbraw/zinc/23/16/58/725231658.db2.gz UYTZTUPKOFKAOH-LSDHHAIUSA-N 2 0 338.452 -0.480 20 0 EBADRP O=C(N1CC[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)C12CC[NH+](CC1)C2 ZINC000970490171 725295698 /nfs/dbraw/zinc/29/56/98/725295698.db2.gz MVOBOGCVJUSJEP-ZIAGYGMSSA-N 2 0 341.477 -0.293 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)Cc2c[nH]cn2)[C@@H](O)C1 ZINC000970956047 725345389 /nfs/dbraw/zinc/34/53/89/725345389.db2.gz ARCQWTGCYIOCEB-KFWWJZLASA-N 2 0 349.435 -0.486 20 0 EBADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)CCn3cncn3)C2)O1 ZINC000971781073 725436529 /nfs/dbraw/zinc/43/65/29/725436529.db2.gz HKFBHIZQTUKDAJ-QLFBSQMISA-N 2 0 336.440 -0.470 20 0 EBADRP C[N@H+]([C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)[C@H]1CCC(=O)NC1=O ZINC000971861773 725443313 /nfs/dbraw/zinc/44/33/13/725443313.db2.gz UTLPRXXFJQTYRZ-KBPBESRZSA-N 2 0 348.447 -0.047 20 0 EBADRP C[N@H+](CCN1CCNC1=O)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000972234640 725481616 /nfs/dbraw/zinc/48/16/16/725481616.db2.gz IIWKQZXJBQYLCT-OAHLLOKOSA-N 2 0 337.468 -0.114 20 0 EBADRP Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001051653841 735295449 /nfs/dbraw/zinc/29/54/49/735295449.db2.gz AISXSBNAIQKLCF-AWEZNQCLSA-N 2 0 336.440 -0.384 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@H]([N@H+](C)[C@H]3CCNC3=O)C2)cn1 ZINC000972522178 725540654 /nfs/dbraw/zinc/54/06/54/725540654.db2.gz HTRBAYPSRQRFFT-GJZGRUSLSA-N 2 0 348.451 -0.521 20 0 EBADRP CN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CCO2)C1=O ZINC001051654971 735296150 /nfs/dbraw/zinc/29/61/50/735296150.db2.gz BKCQOOWFSDIAON-LSDHHAIUSA-N 2 0 338.452 -0.482 20 0 EBADRP C[N@H+]([C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1)[C@@H]1CCNC1=O ZINC000972629289 725565268 /nfs/dbraw/zinc/56/52/68/725565268.db2.gz UMQGTEXXXAZPNF-UKRRQHHQSA-N 2 0 338.452 -0.482 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC000991717183 725569916 /nfs/dbraw/zinc/56/99/16/725569916.db2.gz GGYQQHBQNDPVFC-CYBMUJFWSA-N 2 0 348.451 -0.663 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC(NC(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000991740974 725595419 /nfs/dbraw/zinc/59/54/19/725595419.db2.gz YYPBATIJOHLADQ-UKRRQHHQSA-N 2 0 338.452 -0.626 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000991895811 725670339 /nfs/dbraw/zinc/67/03/39/725670339.db2.gz UACOIVUHFMYILI-CZUORRHYSA-N 2 0 334.464 -0.003 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)C1CC1 ZINC000991896463 725670664 /nfs/dbraw/zinc/67/06/64/725670664.db2.gz WBDAAFLJIKKQRF-HZPDHXFCSA-N 2 0 334.464 -0.005 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC2CN(C(=O)C[NH+]3CCCC3)C2)n1 ZINC000992059440 725712013 /nfs/dbraw/zinc/71/20/13/725712013.db2.gz CLMLGTNAZDTMEF-UHFFFAOYSA-N 2 0 348.451 -0.519 20 0 EBADRP O=C(Cc1ncc[nH]1)N1CC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000993573679 725907775 /nfs/dbraw/zinc/90/77/75/725907775.db2.gz ZXRAIDKNRGWFMC-STQMWFEESA-N 2 0 333.392 -0.858 20 0 EBADRP O=C(c1ccn2c[nH+]cc2c1)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051699139 735334816 /nfs/dbraw/zinc/33/48/16/735334816.db2.gz NYPPQQLUTVCPRF-HUUCEWRRSA-N 2 0 343.387 -0.347 20 0 EBADRP O=C(c1ccn2c[nH+]cc2c1)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051699138 735335038 /nfs/dbraw/zinc/33/50/38/735335038.db2.gz NYPPQQLUTVCPRF-GJZGRUSLSA-N 2 0 343.387 -0.347 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC000994599226 726038969 /nfs/dbraw/zinc/03/89/69/726038969.db2.gz FRJWAMBSBASRPC-GXTWGEPZSA-N 2 0 331.420 -0.133 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995078433 726158319 /nfs/dbraw/zinc/15/83/19/726158319.db2.gz JVYNAQNMVHFRGM-OCCSQVGLSA-N 2 0 335.456 -0.074 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000976279639 726251712 /nfs/dbraw/zinc/25/17/12/726251712.db2.gz MAFGXLVUNMRFNS-BARDWOONSA-N 2 0 332.448 -0.251 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000976558457 726349527 /nfs/dbraw/zinc/34/95/27/726349527.db2.gz LQAMMXMDZWWUQQ-MTSZKFMLSA-N 2 0 346.475 -0.147 20 0 EBADRP C[N@H+](CC(=O)N1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1)C1CCC1 ZINC000996665506 726421540 /nfs/dbraw/zinc/42/15/40/726421540.db2.gz MHYIXWFCPVNOQC-CQSZACIVSA-N 2 0 336.436 -0.144 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000996717086 726423624 /nfs/dbraw/zinc/42/36/24/726423624.db2.gz ZBNGHJLFGMMTIN-UHFFFAOYSA-N 2 0 326.441 -0.589 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC000997611783 726457424 /nfs/dbraw/zinc/45/74/24/726457424.db2.gz HKJGMBGIODGVIN-KGLIPLIRSA-N 2 0 336.436 -0.286 20 0 EBADRP NC(=O)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C(F)(F)F ZINC000998318681 726484678 /nfs/dbraw/zinc/48/46/78/726484678.db2.gz XDZLQFLZVVCDSF-QWRGUYRKSA-N 2 0 336.358 -0.064 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC000999494470 726520886 /nfs/dbraw/zinc/52/08/86/726520886.db2.gz PYQIDYWSRPYMAZ-ZDUSSCGKSA-N 2 0 326.441 -0.589 20 0 EBADRP NC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000999667340 726526743 /nfs/dbraw/zinc/52/67/43/726526743.db2.gz LHBAEAFCGYXODQ-GFCCVEGCSA-N 2 0 328.376 -0.053 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000999873041 726537203 /nfs/dbraw/zinc/53/72/03/726537203.db2.gz VLXPITHAPBILAD-XJKSGUPXSA-N 2 0 334.464 -0.003 20 0 EBADRP COCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)C3)nn2)C1 ZINC001000041421 726552646 /nfs/dbraw/zinc/55/26/46/726552646.db2.gz BQVLGGOTDJVTBY-ZFWWWQNUSA-N 2 0 336.440 -0.261 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001000082555 726554161 /nfs/dbraw/zinc/55/41/61/726554161.db2.gz QRLDXZADRCQCGF-KBPBESRZSA-N 2 0 336.436 -0.286 20 0 EBADRP CC[C@@H]([NH2+][C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1)C(N)=O ZINC001000576256 726571784 /nfs/dbraw/zinc/57/17/84/726571784.db2.gz ZHATXCIBJUKDQY-DZGCQCFKSA-N 2 0 340.468 -0.058 20 0 EBADRP O=C(N1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001000711620 726575818 /nfs/dbraw/zinc/57/58/18/726575818.db2.gz OZNITBYPLLRFPK-CQSZACIVSA-N 2 0 335.452 -0.312 20 0 EBADRP Cc1nc[nH]c1CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001000797667 726578275 /nfs/dbraw/zinc/57/82/75/726578275.db2.gz QRJHRXYAYSDUDO-VXGBXAGGSA-N 2 0 333.392 -0.354 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001000935133 726584351 /nfs/dbraw/zinc/58/43/51/726584351.db2.gz MRFCTNWOQPQHEB-CYBMUJFWSA-N 2 0 337.424 -0.785 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001001224302 726597531 /nfs/dbraw/zinc/59/75/31/726597531.db2.gz XLAJPOWZPSVIGB-JKSUJKDBSA-N 2 0 334.464 -0.003 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC(CNC(=O)[C@H]3CCc4nccn4C3)C2)C1 ZINC001002776769 726647480 /nfs/dbraw/zinc/64/74/80/726647480.db2.gz KTCHPNCLHCHRAE-GJZGRUSLSA-N 2 0 345.447 -0.028 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC(CNC(=O)[C@@H]3CCc4nccn4C3)C2)C1 ZINC001002776770 726647539 /nfs/dbraw/zinc/64/75/39/726647539.db2.gz KTCHPNCLHCHRAE-HUUCEWRRSA-N 2 0 345.447 -0.028 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)CC[N@@H+]1C ZINC001002851886 726650863 /nfs/dbraw/zinc/65/08/63/726650863.db2.gz LATVIOSOADUYMZ-MRVWCRGKSA-N 2 0 336.436 -0.288 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC001003976877 726696579 /nfs/dbraw/zinc/69/65/79/726696579.db2.gz SRMSPOTTWGQUQA-TZMCWYRMSA-N 2 0 336.436 -0.286 20 0 EBADRP O=C(C[NH+]1CCCC1)NC1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC001004148960 726701572 /nfs/dbraw/zinc/70/15/72/726701572.db2.gz YRIOZKYOSFRGJE-INIZCTEOSA-N 2 0 335.452 -0.080 20 0 EBADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001005185101 726728310 /nfs/dbraw/zinc/72/83/10/726728310.db2.gz PSIOPVHESFBINW-KGLIPLIRSA-N 2 0 336.436 -0.191 20 0 EBADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001006131819 726756576 /nfs/dbraw/zinc/75/65/76/726756576.db2.gz ZZJLSLFIINJDIA-ZIAGYGMSSA-N 2 0 334.464 -0.003 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001009270129 726883901 /nfs/dbraw/zinc/88/39/01/726883901.db2.gz VOOYMUZOJNNBKG-LVQVYYBASA-N 2 0 346.475 -0.003 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001011159042 727478123 /nfs/dbraw/zinc/47/81/23/727478123.db2.gz LUWRYOKJYHPZEL-CVEARBPZSA-N 2 0 334.464 -0.049 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001011658043 727553734 /nfs/dbraw/zinc/55/37/34/727553734.db2.gz YYOSTWXXIZTLBT-GJZGRUSLSA-N 2 0 334.464 -0.049 20 0 EBADRP Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CCO2)cc1=O ZINC001051930016 735468592 /nfs/dbraw/zinc/46/85/92/735468592.db2.gz GWIDOHJTARZLOH-CVEARBPZSA-N 2 0 348.447 -0.346 20 0 EBADRP Cc1cc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CCO2)nn1C ZINC001051933017 735471221 /nfs/dbraw/zinc/47/12/21/735471221.db2.gz XSKLXJSDWMFIAN-HOCLYGCPSA-N 2 0 335.452 -0.003 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCO[C@@H](C[NH2+]Cc2cnns2)C1 ZINC001051935903 735473340 /nfs/dbraw/zinc/47/33/40/735473340.db2.gz ZMNRNAMXEUAAPJ-LBPRGKRZSA-N 2 0 325.438 -0.049 20 0 EBADRP O=C(N[C@H]1CC[N@H+](CCn2cccn2)C1)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001015326300 728399622 /nfs/dbraw/zinc/39/96/22/728399622.db2.gz YOOYMWMJMAXQFB-BNQMIIOLSA-N 2 0 345.447 -0.063 20 0 EBADRP O=C(N[C@H]1CC12CC[NH+]([C@H]1CCNC1=O)CC2)C12CC[NH+](CC1)C2 ZINC001016929651 728526975 /nfs/dbraw/zinc/52/69/75/728526975.db2.gz CHCWRCAEUSOCQE-KBPBESRZSA-N 2 0 332.448 -0.059 20 0 EBADRP C[C@@H](O)C[NH+]1CCN([C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001052074061 735533793 /nfs/dbraw/zinc/53/37/93/735533793.db2.gz SLWLYYWUUOTQQQ-WBVHZDCISA-N 2 0 338.496 -0.073 20 0 EBADRP Cn1nncc1C[NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001018860303 728696028 /nfs/dbraw/zinc/69/60/28/728696028.db2.gz BENCBBDGIZEFFN-ZDUSSCGKSA-N 2 0 346.439 -0.423 20 0 EBADRP O=C(N1CC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)C12CC[NH+](CC1)C2 ZINC001019660778 728967876 /nfs/dbraw/zinc/96/78/76/728967876.db2.gz MVOBOGCVJUSJEP-KBPBESRZSA-N 2 0 341.477 -0.293 20 0 EBADRP O=C(N1CC[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)C12CC[NH+](CC1)C2 ZINC001019660783 728967925 /nfs/dbraw/zinc/96/79/25/728967925.db2.gz MVOBOGCVJUSJEP-KGLIPLIRSA-N 2 0 341.477 -0.293 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CCN3CCCS3(=O)=O)C2)C1 ZINC001019772919 728988457 /nfs/dbraw/zinc/98/84/57/728988457.db2.gz WJXIIMOHLURWQQ-KBPBESRZSA-N 2 0 344.481 -0.836 20 0 EBADRP CN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)c3ccn(CC[NH+](C)C)n3)C2)C1=O ZINC001020165428 729089136 /nfs/dbraw/zinc/08/91/36/729089136.db2.gz XXKCIPZLZRXQIS-UMVBOHGHSA-N 2 0 348.451 -0.474 20 0 EBADRP O=C(N[C@@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001020406281 729160533 /nfs/dbraw/zinc/16/05/33/729160533.db2.gz OZQRNBJXCHWRGH-NWCRCAFSSA-N 2 0 348.447 -0.635 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001020592578 729207092 /nfs/dbraw/zinc/20/70/92/729207092.db2.gz ITXIDKIKULIIBS-AAVRWANBSA-N 2 0 348.451 -0.257 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001020928772 729257153 /nfs/dbraw/zinc/25/71/53/729257153.db2.gz LMBJQNWDQZVOIO-AVGNSLFASA-N 2 0 337.424 -0.883 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001022103065 729455466 /nfs/dbraw/zinc/45/54/66/729455466.db2.gz DQPSYYKLRCSCQZ-ARILJUKYSA-N 2 0 343.493 -0.002 20 0 EBADRP CCn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022119419 729457262 /nfs/dbraw/zinc/45/72/62/729457262.db2.gz FRNILRSFFPONSL-LXTVHRRPSA-N 2 0 348.451 -0.102 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1)C(N)=O ZINC001022195572 729465433 /nfs/dbraw/zinc/46/54/33/729465433.db2.gz DIGOYUUPZFKGHB-RMRHIDDWSA-N 2 0 338.452 -0.260 20 0 EBADRP O=C(N[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)C12CCC[NH+]1CCC2 ZINC001022361250 729484933 /nfs/dbraw/zinc/48/49/33/729484933.db2.gz PYEUTRRDMBNVKX-XQQFMLRXSA-N 2 0 334.420 -0.343 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1)C(N)=O ZINC001022411637 729492066 /nfs/dbraw/zinc/49/20/66/729492066.db2.gz PPQSKXCYXYNDNT-SDDRHHMPSA-N 2 0 328.376 -0.009 20 0 EBADRP O=C(N[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001022492626 729499782 /nfs/dbraw/zinc/49/97/82/729499782.db2.gz GWNSGEILOJSDAH-HLPPOEQASA-N 2 0 348.447 -0.097 20 0 EBADRP CNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023550835 729721636 /nfs/dbraw/zinc/72/16/36/729721636.db2.gz NTDMSAXQRFBHTQ-HUUCEWRRSA-N 2 0 340.468 -0.330 20 0 EBADRP O=C(NC[C@@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001023703183 729755449 /nfs/dbraw/zinc/75/54/49/729755449.db2.gz CIPLZKDLRPJVAL-UONOGXRCSA-N 2 0 348.447 -0.284 20 0 EBADRP CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1)[NH+](C)C ZINC001023794044 729800272 /nfs/dbraw/zinc/80/02/72/729800272.db2.gz WTGYFVYUCSPKOI-IIAWOOMASA-N 2 0 340.468 -0.644 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nc1=O ZINC001024263333 729867610 /nfs/dbraw/zinc/86/76/10/729867610.db2.gz CPGGFNHMTFPOND-STQMWFEESA-N 2 0 336.440 -0.612 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)C1 ZINC001024780082 729928728 /nfs/dbraw/zinc/92/87/28/729928728.db2.gz YLBIKDVVWYEJGT-RRFJBIMHSA-N 2 0 338.452 -0.888 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001025708002 730076696 /nfs/dbraw/zinc/07/66/96/730076696.db2.gz IEHRRRUBZFPLEF-OWYFMNJBSA-N 2 0 333.436 -0.615 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001025708001 730076969 /nfs/dbraw/zinc/07/69/69/730076969.db2.gz IEHRRRUBZFPLEF-LJIZCISZSA-N 2 0 333.436 -0.615 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025798613 730090168 /nfs/dbraw/zinc/09/01/68/730090168.db2.gz AHTFOFCOSLXGNM-FIDHJVLJSA-N 2 0 345.447 -0.207 20 0 EBADRP CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908689 730104755 /nfs/dbraw/zinc/10/47/55/730104755.db2.gz UXJBHTLTEVQYLR-FDXUEZJDSA-N 2 0 348.447 -0.970 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)N3CCCC3)C[C@H]21 ZINC001026044911 730118042 /nfs/dbraw/zinc/11/80/42/730118042.db2.gz USEGMIIWTOKNHN-NPCUJANDSA-N 2 0 334.464 -0.147 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@H]4CCc5ncnn54)C[C@H]32)C1 ZINC001026145874 730125567 /nfs/dbraw/zinc/12/55/67/730125567.db2.gz SYVMGSDFYKGTFI-FAHYXWLWSA-N 2 0 330.436 -0.237 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001026851891 730163503 /nfs/dbraw/zinc/16/35/03/730163503.db2.gz IQVKROYERILSBD-FRRDWIJNSA-N 2 0 336.440 -0.613 20 0 EBADRP O=C(N1CC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1)C12CCC[NH+]1CCC2 ZINC001026939261 730173339 /nfs/dbraw/zinc/17/33/39/730173339.db2.gz CEPWCDJHYRUSLA-UONOGXRCSA-N 2 0 348.447 -0.142 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nc1=O ZINC001027171035 730194857 /nfs/dbraw/zinc/19/48/57/730194857.db2.gz SXFVMSWHRMRUBO-STQMWFEESA-N 2 0 336.440 -0.612 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnc4n3CCOC4)C2)C1 ZINC001027215999 730200038 /nfs/dbraw/zinc/20/00/38/730200038.db2.gz PXOXGWMLLKVDAL-UONOGXRCSA-N 2 0 348.451 -0.302 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC(=O)N2CCOCC2)C1 ZINC001028447035 730293489 /nfs/dbraw/zinc/29/34/89/730293489.db2.gz LFWXIFGQIHGGOE-CABCVRRESA-N 2 0 338.452 -0.623 20 0 EBADRP O=C(C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)N1CCC1 ZINC001028544943 730311313 /nfs/dbraw/zinc/31/13/13/730311313.db2.gz LFXLZHDEJJMXLW-GDBMZVCRSA-N 2 0 334.464 -0.001 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001028758830 730352105 /nfs/dbraw/zinc/35/21/05/730352105.db2.gz XQPDIVKIPQRQOR-HUUCEWRRSA-N 2 0 340.468 -0.378 20 0 EBADRP O=C(NC[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1)C12CC[NH+](CC1)C2 ZINC001028931740 730372273 /nfs/dbraw/zinc/37/22/73/730372273.db2.gz WVVRIAUDYRYYCE-CQSZACIVSA-N 2 0 348.447 -0.331 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCN2CCNC2=O)C1 ZINC001031666368 730747648 /nfs/dbraw/zinc/74/76/48/730747648.db2.gz NVNKXUARXLQELN-HNNXBMFYSA-N 2 0 337.468 -0.068 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CN(C[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001032186398 730823971 /nfs/dbraw/zinc/82/39/71/730823971.db2.gz PPZLROIABWYDHB-UKRRQHHQSA-N 2 0 343.493 -0.189 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC2CN(C[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001032186397 730823985 /nfs/dbraw/zinc/82/39/85/730823985.db2.gz PPZLROIABWYDHB-HIFRSBDPSA-N 2 0 343.493 -0.189 20 0 EBADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001033080754 730967519 /nfs/dbraw/zinc/96/75/19/730967519.db2.gz IYLNBCIRUNFUOT-CVEARBPZSA-N 2 0 349.479 -0.114 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001033091930 730969452 /nfs/dbraw/zinc/96/94/52/730969452.db2.gz OCZOUYJDLANTRV-QLFBSQMISA-N 2 0 337.468 -0.116 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nnnn2C)CC1 ZINC001034738887 731154938 /nfs/dbraw/zinc/15/49/38/731154938.db2.gz XJTTYAGGSLDGCO-AAVRWANBSA-N 2 0 335.456 -0.075 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CCC[C@@H]2C[NH2+][C@H]2CCNC2=O)cn1 ZINC001035075631 731182786 /nfs/dbraw/zinc/18/27/86/731182786.db2.gz OZTGXMMKTUVCMB-CABCVRRESA-N 2 0 348.451 -0.473 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001039760435 731523455 /nfs/dbraw/zinc/52/34/55/731523455.db2.gz MQOLMRQHEPFADK-WMLDXEAASA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039760442 731523521 /nfs/dbraw/zinc/52/35/21/731523521.db2.gz MRYNBEOVOMDREB-RHSMWYFYSA-N 2 0 340.468 -0.641 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)N3[C@H]2CCC(=O)NC2=O)C1 ZINC001040006110 731572459 /nfs/dbraw/zinc/57/24/59/731572459.db2.gz REWXBGIWVRYWMA-KBXIAJHMSA-N 2 0 348.447 -0.191 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@](O)(CNC(=O)C[N@H+](C)C(C)C)C1)[NH+](C)C ZINC001040100026 731598241 /nfs/dbraw/zinc/59/82/41/731598241.db2.gz MJQQHPQJSGDKQU-RHSMWYFYSA-N 2 0 342.484 -0.254 20 0 EBADRP CC(C)[NH+](C)CC(=O)N1CC[C@@](O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001040104621 731601144 /nfs/dbraw/zinc/60/11/44/731601144.db2.gz RJICXBOPAGYJHY-QGZVFWFLSA-N 2 0 342.484 -0.254 20 0 EBADRP CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)C[N@H+](C)C(C)C)C1)[NH+](C)C ZINC001040202705 731642251 /nfs/dbraw/zinc/64/22/51/731642251.db2.gz UZIKSVKQLSDUTI-RHSMWYFYSA-N 2 0 342.484 -0.254 20 0 EBADRP CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)[C@H](CC)[NH+](C)C)C1)[NH+](C)C ZINC001040203518 731642752 /nfs/dbraw/zinc/64/27/52/731642752.db2.gz YUIBJUMEQWBMOW-JKIFEVAISA-N 2 0 342.484 -0.254 20 0 EBADRP CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)[C@@H](CC)[NH+](C)C)C1)[NH+](C)C ZINC001040203516 731642819 /nfs/dbraw/zinc/64/28/19/731642819.db2.gz YUIBJUMEQWBMOW-CKEIUWERSA-N 2 0 342.484 -0.254 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001040496460 731759821 /nfs/dbraw/zinc/75/98/21/731759821.db2.gz WPLDWJGWMQXZIA-CZUORRHYSA-N 2 0 326.441 -0.888 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001040715562 731844083 /nfs/dbraw/zinc/84/40/83/731844083.db2.gz YQHUKEVWXGULHB-QGZVFWFLSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@]1(O)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001040718112 731845857 /nfs/dbraw/zinc/84/58/57/731845857.db2.gz IUZZHTCJZCDUKT-QGZVFWFLSA-N 2 0 342.484 -0.250 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040797401 731878682 /nfs/dbraw/zinc/87/86/82/731878682.db2.gz FYYWNLXHAPEPRS-RHSMWYFYSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001040799396 731880331 /nfs/dbraw/zinc/88/03/31/731880331.db2.gz ZEKTUKCBBMJJOS-RDJZCZTQSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[C@H](C(=O)N1CC[C@](O)(CNC(=O)CC[N@H+](C)CC)C1)[NH+](C)C ZINC001040902022 731911552 /nfs/dbraw/zinc/91/15/52/731911552.db2.gz OPQOETOFYVGCOH-PBHICJAKSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001040903065 731911806 /nfs/dbraw/zinc/91/18/06/731911806.db2.gz WVLGILKXZBITMI-QGZVFWFLSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001042097289 732306422 /nfs/dbraw/zinc/30/64/22/732306422.db2.gz GMVNAOWWLHJPSG-KBPBESRZSA-N 2 0 338.452 -0.888 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001042098031 732307275 /nfs/dbraw/zinc/30/72/75/732307275.db2.gz LYVVUSVHTAVJEZ-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)C1(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)CCC1 ZINC001042104280 732316634 /nfs/dbraw/zinc/31/66/34/732316634.db2.gz MYXKGLRKZPRRHC-ZDUSSCGKSA-N 2 0 338.452 -0.746 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043043230 732728766 /nfs/dbraw/zinc/72/87/66/732728766.db2.gz FOCRXRXPJBVVDI-CQSZACIVSA-N 2 0 340.468 -0.500 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061600160 738641246 /nfs/dbraw/zinc/64/12/46/738641246.db2.gz INAAMAKPUKAKJC-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001043118391 732768070 /nfs/dbraw/zinc/76/80/70/732768070.db2.gz GSFUXEONHSXMMY-ZDUSSCGKSA-N 2 0 340.468 -0.642 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1)C1CC1 ZINC001043127668 732775973 /nfs/dbraw/zinc/77/59/73/732775973.db2.gz MEGQBSNFCICZLG-OAHLLOKOSA-N 2 0 338.452 -0.888 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001043159866 732795840 /nfs/dbraw/zinc/79/58/40/732795840.db2.gz KNTKBHKHQNCJSB-KBPBESRZSA-N 2 0 340.468 -0.785 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001043160152 732796893 /nfs/dbraw/zinc/79/68/93/732796893.db2.gz XAAMAELPVBNXFD-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[C@@H](C(=O)N1CC(O)(CNC(=O)C[N@H+](C)C(C)C)C1)[NH+](C)C ZINC001043431209 732935407 /nfs/dbraw/zinc/93/54/07/732935407.db2.gz POYOLMYXDMGWIM-ZDUSSCGKSA-N 2 0 328.457 -0.644 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001043454092 732949136 /nfs/dbraw/zinc/94/91/36/732949136.db2.gz FLDAIXXEIUQVDR-UHFFFAOYSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1)C1CC1 ZINC001043464483 732956096 /nfs/dbraw/zinc/95/60/96/732956096.db2.gz WEJXKHSUKKBRBX-ZIAGYGMSSA-N 2 0 338.452 -0.890 20 0 EBADRP CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1)[NH+](C)C ZINC001043480601 732968262 /nfs/dbraw/zinc/96/82/62/732968262.db2.gz YPIZTMSERGRWDW-HNNXBMFYSA-N 2 0 342.484 -0.396 20 0 EBADRP CC[C@@H](C(=O)N1CC(O)(CNC(=O)C(C)(C)[N@H+](C)CC)C1)[NH+](C)C ZINC001043613667 733024275 /nfs/dbraw/zinc/02/42/75/733024275.db2.gz UUQZIOPDPQZBSN-ZDUSSCGKSA-N 2 0 342.484 -0.254 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1 ZINC001043613091 733024516 /nfs/dbraw/zinc/02/45/16/733024516.db2.gz NRNTXDXZCFOUKX-UHFFFAOYSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[C@H](C(=O)NCC1(O)CN(C(=O)C2CC[NH+](C)CC2)C1)[NH+](C)C ZINC001043676977 733054968 /nfs/dbraw/zinc/05/49/68/733054968.db2.gz CCHYIBWTBOXPNH-CQSZACIVSA-N 2 0 340.468 -0.642 20 0 EBADRP C[NH+]1CCC(C(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001043707134 733068205 /nfs/dbraw/zinc/06/82/05/733068205.db2.gz FFCBPVFLKNXLDS-UHFFFAOYSA-N 2 0 338.452 -0.887 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001061657793 738677557 /nfs/dbraw/zinc/67/75/57/738677557.db2.gz DJERPSBLFMCAQD-GDBMZVCRSA-N 2 0 340.468 -0.378 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001043771304 733105038 /nfs/dbraw/zinc/10/50/38/733105038.db2.gz SSELQZDVJINEFQ-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001043771401 733105566 /nfs/dbraw/zinc/10/55/66/733105566.db2.gz VJYMOKGWDODFOH-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP Cc1cncn1CC(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001043909364 733192865 /nfs/dbraw/zinc/19/28/65/733192865.db2.gz HYHISJQJZWRCDR-CQSZACIVSA-N 2 0 349.435 -0.777 20 0 EBADRP CC[C@H](C(=O)NC[C@@H]1COCCN1C(=O)C[NH+]1CCCC1)[NH+](C)C ZINC001061680221 738691354 /nfs/dbraw/zinc/69/13/54/738691354.db2.gz CJNORNZPYKBFNM-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[C@H](C(=O)NC[C@@H]1COCCN1C(=O)CC[NH+](C)C)[NH+](C)C ZINC001061681645 738692128 /nfs/dbraw/zinc/69/21/28/738692128.db2.gz VOUMSNIAVAWDTJ-ZIAGYGMSSA-N 2 0 328.457 -0.378 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2(O)CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001044010712 733244637 /nfs/dbraw/zinc/24/46/37/733244637.db2.gz BIXLPXKJPBVQPG-AWEZNQCLSA-N 2 0 338.452 -0.887 20 0 EBADRP CC[C@@H](C(=O)NCC1(O)CN(C(=O)C2(C[NH+](C)C)CC2)C1)[NH+](C)C ZINC001044041432 733258101 /nfs/dbraw/zinc/25/81/01/733258101.db2.gz JNVBYEOTCHBCNK-ZDUSSCGKSA-N 2 0 340.468 -0.642 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001061690440 738700441 /nfs/dbraw/zinc/70/04/41/738700441.db2.gz IQNDGVCPRQYHNK-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001044291024 733361248 /nfs/dbraw/zinc/36/12/48/733361248.db2.gz LGMYETFFOODCPV-CQSZACIVSA-N 2 0 342.484 -0.252 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001044298935 733366383 /nfs/dbraw/zinc/36/63/83/733366383.db2.gz SLZMOUKVCCIUPP-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001044299111 733366456 /nfs/dbraw/zinc/36/64/56/733366456.db2.gz VSLRJGWZPGTHKN-UHFFFAOYSA-N 2 0 340.468 -0.498 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCCN2C(=O)C23CCC[NH+]2CCC3)nc1=O ZINC001045106236 733583410 /nfs/dbraw/zinc/58/34/10/733583410.db2.gz ZRYZTLOEIDOVEV-ZDUSSCGKSA-N 2 0 348.451 -0.183 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001045182056 733614382 /nfs/dbraw/zinc/61/43/82/733614382.db2.gz KIRGMLHIOFHLGL-KBPBESRZSA-N 2 0 336.436 -0.286 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001061743134 738733972 /nfs/dbraw/zinc/73/39/72/738733972.db2.gz YDDUALGHUHMILA-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N2CC(O)(CNC(=O)Cc3ncc[nH]3)C2)C1 ZINC001045281356 733647518 /nfs/dbraw/zinc/64/75/18/733647518.db2.gz GAJWOQCYFSLNTN-UHFFFAOYSA-N 2 0 349.435 -0.626 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2(C)CC[NH+](CCN3CCNC3=O)CC2)C1 ZINC001045639282 733743482 /nfs/dbraw/zinc/74/34/82/733743482.db2.gz GKETVGSMVHCHEG-CQSZACIVSA-N 2 0 337.468 -0.066 20 0 EBADRP Cc1nc[nH]c1CC(=O)N1CCN([C@@H]2CC[N@@H+](C[C@H](C)O)C2)CC1 ZINC001046081819 733854198 /nfs/dbraw/zinc/85/41/98/733854198.db2.gz PFIXWLRCRBWDRZ-DZGCQCFKSA-N 2 0 335.452 -0.140 20 0 EBADRP C[C@]1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+](CCN2CCNC2=O)C1 ZINC001046323157 733908511 /nfs/dbraw/zinc/90/85/11/733908511.db2.gz HYWLERVXELQTIL-YJBOKZPZSA-N 2 0 349.479 -0.066 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001046525642 733954066 /nfs/dbraw/zinc/95/40/66/733954066.db2.gz OTPFPFYZUMAYFY-HNNXBMFYSA-N 2 0 342.484 -0.396 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001046677569 733999296 /nfs/dbraw/zinc/99/92/96/733999296.db2.gz WBWWKTXDEFXCPM-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[NH+](C)C[C@H]2C)C1 ZINC001046692548 734006963 /nfs/dbraw/zinc/00/69/63/734006963.db2.gz WLUZZKQSXCBPSD-KGLIPLIRSA-N 2 0 340.468 -0.786 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)C1 ZINC001046692550 734007123 /nfs/dbraw/zinc/00/71/23/734007123.db2.gz WLUZZKQSXCBPSD-ZIAGYGMSSA-N 2 0 340.468 -0.786 20 0 EBADRP C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001046776646 734025274 /nfs/dbraw/zinc/02/52/74/734025274.db2.gz HDIVUJFKSGPQRC-INIZCTEOSA-N 2 0 349.435 -0.785 20 0 EBADRP C[C@]1(C[NH2+][C@@H]2CCC(=O)NC2=O)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001046900055 734055940 /nfs/dbraw/zinc/05/59/40/734055940.db2.gz KRUWVVSYQVNWGZ-CXAGYDPISA-N 2 0 348.447 -0.284 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCOC[C@H]2CNC(=O)CC[NH+](C)C)CC[N@@H+]1C ZINC001061861353 738790612 /nfs/dbraw/zinc/79/06/12/738790612.db2.gz GYXUNNVKZHLRFJ-RBSFLKMASA-N 2 0 340.468 -0.378 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001061861127 738790633 /nfs/dbraw/zinc/79/06/33/738790633.db2.gz DMLXXVJWJSCNDM-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CN([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001047492258 734223480 /nfs/dbraw/zinc/22/34/80/734223480.db2.gz BHMPEIDRRPNCTG-QPSCCSFWSA-N 2 0 338.452 -0.747 20 0 EBADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001047598296 734276007 /nfs/dbraw/zinc/27/60/07/734276007.db2.gz FAQSMBPXKSCNEP-HOTGVXAUSA-N 2 0 347.463 -0.438 20 0 EBADRP C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001048037559 734337149 /nfs/dbraw/zinc/33/71/49/734337149.db2.gz IOWGEWVQLYNAKI-OLZOCXBDSA-N 2 0 348.451 -0.469 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NC[C@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061907151 738809534 /nfs/dbraw/zinc/80/95/34/738809534.db2.gz BHQUXWHUVOMNMC-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001048442542 734419560 /nfs/dbraw/zinc/41/95/60/734419560.db2.gz VRNRKCIDZMAXBV-CHWSQXEVSA-N 2 0 333.440 -0.510 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001048823999 734525345 /nfs/dbraw/zinc/52/53/45/734525345.db2.gz QBHVSRABEZAXKQ-TWMKSMIVSA-N 2 0 346.475 -0.003 20 0 EBADRP CC[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001048824285 734526328 /nfs/dbraw/zinc/52/63/28/734526328.db2.gz XMYPKYFDKRSZGD-FZKCQIBNSA-N 2 0 334.464 -0.018 20 0 EBADRP CC[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[NH+](CC)CC)C1)[NH+](C)C ZINC001048880912 734555647 /nfs/dbraw/zinc/55/56/47/734555647.db2.gz VUOLVNUSPDLGCP-KKUMJFAQSA-N 2 0 342.484 -0.302 20 0 EBADRP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC001048885411 734557985 /nfs/dbraw/zinc/55/79/85/734557985.db2.gz SSZXONKFZFCGPE-GASCZTMLSA-N 2 0 334.464 -0.001 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[NH+]([C@H]4CCNC4=O)C[C@@H]3C2)CC[N@@H+]1C ZINC001049008964 734610992 /nfs/dbraw/zinc/61/09/92/734610992.db2.gz XJXHOJDOJLNOAJ-GVRJEKJASA-N 2 0 334.464 -0.005 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001049027007 734618975 /nfs/dbraw/zinc/61/89/75/734618975.db2.gz AMMTZYSSDNFGOY-ILXRZTDVSA-N 2 0 342.484 -0.302 20 0 EBADRP CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1O)[NH+](C)C ZINC001049027545 734620116 /nfs/dbraw/zinc/62/01/16/734620116.db2.gz OGJUSAJRTLWFLZ-ILXRZTDVSA-N 2 0 342.484 -0.302 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+]([C@H]4CCC(=O)NC4=O)C[C@@H]3C2)C1 ZINC001049058811 734630011 /nfs/dbraw/zinc/63/00/11/734630011.db2.gz IMMYIQIOGICOQR-XQLPTFJDSA-N 2 0 348.447 -0.476 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2C1 ZINC001049060298 734631284 /nfs/dbraw/zinc/63/12/84/734631284.db2.gz QXTVKMBCSBYWSD-JONQDZQNSA-N 2 0 332.452 -0.134 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCOC[C@@H]1CNC(=O)Cc1c[nH]cn1 ZINC001061932597 738836902 /nfs/dbraw/zinc/83/69/02/738836902.db2.gz CRLXYKZQXLARQT-AWEZNQCLSA-N 2 0 337.424 -0.364 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCC4)C[C@@H]3C2)C1 ZINC001049170812 734674817 /nfs/dbraw/zinc/67/48/17/734674817.db2.gz FRURTSOVWCEZHS-OAGGEKHMSA-N 2 0 334.464 -0.049 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CCN4CCNC4=O)C[C@@H]3C2)C1 ZINC001049213402 734687243 /nfs/dbraw/zinc/68/72/43/734687243.db2.gz OTMPPNLPNMOWAF-KFWWJZLASA-N 2 0 335.452 -0.647 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC2(C1)CC[NH+]([C@@H]1CCC(=O)NC1=O)CC2 ZINC001050756334 734954951 /nfs/dbraw/zinc/95/49/51/734954951.db2.gz WQKNLDXSSNADRT-CQSZACIVSA-N 2 0 348.447 -0.188 20 0 EBADRP COc1nccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CCO2)n1 ZINC001051494082 735196875 /nfs/dbraw/zinc/19/68/75/735196875.db2.gz RZGUFMUHHNLIPP-CABCVRRESA-N 2 0 349.435 -0.104 20 0 EBADRP COc1nccc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CCO2)n1 ZINC001051494088 735197110 /nfs/dbraw/zinc/19/71/10/735197110.db2.gz RZGUFMUHHNLIPP-LSDHHAIUSA-N 2 0 349.435 -0.104 20 0 EBADRP C[NH+](C)CCOCC(=O)N1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001055405746 736344499 /nfs/dbraw/zinc/34/44/99/736344499.db2.gz PZMJRDNJPGIRAF-GASCZTMLSA-N 2 0 340.468 -0.567 20 0 EBADRP COCCC(=O)NCC[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001055485693 736352975 /nfs/dbraw/zinc/35/29/75/736352975.db2.gz IRHQPBPTZSZQRM-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP CCOCC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001055505472 736361213 /nfs/dbraw/zinc/36/12/13/736361213.db2.gz JOJDYTAQNHYOFJ-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCC(NC(=O)c3ncc[nH]3)CC2)C1 ZINC001055578453 736391379 /nfs/dbraw/zinc/39/13/79/736391379.db2.gz ORGCIRGABCKPND-ZDUSSCGKSA-N 2 0 348.451 -0.328 20 0 EBADRP CC(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001055585621 736393624 /nfs/dbraw/zinc/39/36/24/736393624.db2.gz CYXOGULIVSJMGY-JKSUJKDBSA-N 2 0 338.452 -0.434 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)c2cnccn2)CC1 ZINC001055633665 736417589 /nfs/dbraw/zinc/41/75/89/736417589.db2.gz XOQZFMYJUTXAGM-UHFFFAOYSA-N 2 0 348.451 -0.261 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001056105898 736643792 /nfs/dbraw/zinc/64/37/92/736643792.db2.gz QWQQPESROINWQN-INIZCTEOSA-N 2 0 328.457 -0.641 20 0 EBADRP C[NH+](C)C1(C(=O)NCCN(CCO)C(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001057212114 737084649 /nfs/dbraw/zinc/08/46/49/737084649.db2.gz JAJYTYOCGQKCJT-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001057636616 737376803 /nfs/dbraw/zinc/37/68/03/737376803.db2.gz VLQVKZPPILVLJA-CABCVRRESA-N 2 0 340.468 -0.785 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057640568 737381587 /nfs/dbraw/zinc/38/15/87/737381587.db2.gz LHJKOSUVRUIPJL-AWEZNQCLSA-N 2 0 326.441 -0.887 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)C[NH+](C)C(C)C ZINC001057863131 737483561 /nfs/dbraw/zinc/48/35/61/737483561.db2.gz GZNCNDXGSOYEQO-UHFFFAOYSA-N 2 0 330.473 -0.395 20 0 EBADRP C[NH+](C)[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001057876594 737496320 /nfs/dbraw/zinc/49/63/20/737496320.db2.gz NKWLHYUNAUOJPA-CABCVRRESA-N 2 0 340.468 -0.785 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001057877059 737496618 /nfs/dbraw/zinc/49/66/18/737496618.db2.gz XSMJDFOPGYYJEX-INIZCTEOSA-N 2 0 342.484 -0.396 20 0 EBADRP CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC001057975546 737573169 /nfs/dbraw/zinc/57/31/69/737573169.db2.gz VZNHGYLOIPGQRG-CABCVRRESA-N 2 0 344.500 -0.150 20 0 EBADRP CC[C@H](C(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1)[NH+](C)C ZINC001057975637 737573331 /nfs/dbraw/zinc/57/33/31/737573331.db2.gz ZLSWLYMJKXJBGC-CQSZACIVSA-N 2 0 328.457 -0.641 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N(CCO)CCNC(=O)C[NH+]2CCCC2)C1 ZINC001058159360 737682650 /nfs/dbraw/zinc/68/26/50/737682650.db2.gz GKGJZEHFWDINIS-OAHLLOKOSA-N 2 0 340.468 -0.639 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001058159561 737682885 /nfs/dbraw/zinc/68/28/85/737682885.db2.gz NVZSXFBOHARPMW-HNNXBMFYSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[C@H](C(=O)NCCN(CCO)C(=O)C12CC[NH+](CC1)C2)[NH+](C)C ZINC001058162048 737685513 /nfs/dbraw/zinc/68/55/13/737685513.db2.gz IWWBIHDNFDNYTP-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001058162385 737685993 /nfs/dbraw/zinc/68/59/93/737685993.db2.gz WILDNNASTWCBAK-CQSZACIVSA-N 2 0 338.452 -0.887 20 0 EBADRP CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC001058169579 737691582 /nfs/dbraw/zinc/69/15/82/737691582.db2.gz AOJMSHKLVNRAAG-GJZGRUSLSA-N 2 0 342.484 -0.252 20 0 EBADRP CCC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001058252471 737734994 /nfs/dbraw/zinc/73/49/94/737734994.db2.gz LFXWKZSRINRLDL-OAHLLOKOSA-N 2 0 344.500 -0.004 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001058255091 737736705 /nfs/dbraw/zinc/73/67/05/737736705.db2.gz BNURSASLCQTQLU-AWEZNQCLSA-N 2 0 328.457 -0.783 20 0 EBADRP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)C1(C[NH+](C)C)CC1 ZINC001058601819 737917216 /nfs/dbraw/zinc/91/72/16/737917216.db2.gz QZPVMUFAZFFMCI-UHFFFAOYSA-N 2 0 342.484 -0.393 20 0 EBADRP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001058707948 737959981 /nfs/dbraw/zinc/95/99/81/737959981.db2.gz VMNYGDYBCCGARP-UHFFFAOYSA-N 2 0 340.468 -0.496 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058709343 737960340 /nfs/dbraw/zinc/96/03/40/737960340.db2.gz ROPDUNDSPHQGSS-HNNXBMFYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)CC[NH+](C)C)C1 ZINC001058848004 738030472 /nfs/dbraw/zinc/03/04/72/738030472.db2.gz ZEJGBDOQEUMBOM-CQSZACIVSA-N 2 0 328.457 -0.783 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001058848313 738030493 /nfs/dbraw/zinc/03/04/93/738030493.db2.gz DBSYPIVNNQMNPI-KBPBESRZSA-N 2 0 328.457 -0.927 20 0 EBADRP C[NH+](C)CCOCC(=O)NC1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001062711964 738969791 /nfs/dbraw/zinc/96/97/91/738969791.db2.gz JYVWCGVASHUZQB-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CCO1 ZINC001065260098 739617297 /nfs/dbraw/zinc/61/72/97/739617297.db2.gz IAWFKNNNHTZYCZ-ZBFHGGJFSA-N 2 0 340.468 -0.378 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001065540039 739750103 /nfs/dbraw/zinc/75/01/03/739750103.db2.gz KHDANRKEWBQSGW-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCc1cccc(N2CC[C@@H]([NH2+]CCO)C2)n1 ZINC001069838305 740585375 /nfs/dbraw/zinc/58/53/75/740585375.db2.gz SOHYASGJGWPPSQ-HZPDHXFCSA-N 2 0 347.463 -0.047 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070204626 740747833 /nfs/dbraw/zinc/74/78/33/740747833.db2.gz IQCAZVBPHDWNCT-ILXRZTDVSA-N 2 0 336.440 -0.514 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070500726 740850613 /nfs/dbraw/zinc/85/06/13/740850613.db2.gz DYXIBBNWFSQSFZ-DZGCQCFKSA-N 2 0 348.451 -0.726 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070500734 740850639 /nfs/dbraw/zinc/85/06/39/740850639.db2.gz FHNUWICWOJMIOG-BJJXKVORSA-N 2 0 348.451 -0.870 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2[NH2+]CCO)c1 ZINC001070500786 740850664 /nfs/dbraw/zinc/85/06/64/740850664.db2.gz HNPVOMKTOFISNL-GOEBONIOSA-N 2 0 335.452 -0.219 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070505783 740851920 /nfs/dbraw/zinc/85/19/20/740851920.db2.gz IIQXVSZAVJMLMV-NWANDNLSSA-N 2 0 348.451 -0.726 20 0 EBADRP Cn1cncc1[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CC(N)=O ZINC001070655600 740911062 /nfs/dbraw/zinc/91/10/62/740911062.db2.gz UVILMWOBWOFVFG-ZIAGYGMSSA-N 2 0 348.451 -0.726 20 0 EBADRP Cn1cncc1[C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C[C@H]1[NH2+]CCO ZINC001070712655 740924787 /nfs/dbraw/zinc/92/47/87/740924787.db2.gz GTRJRMBVCLMAFA-RKVPGOIHSA-N 2 0 347.463 -0.218 20 0 EBADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001070718746 740927301 /nfs/dbraw/zinc/92/73/01/740927301.db2.gz HFBSMTANFFGHHM-RBSFLKMASA-N 2 0 335.452 -0.219 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001071015304 741038352 /nfs/dbraw/zinc/03/83/52/741038352.db2.gz YGDYBYBVGLAGBC-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001072432737 741398401 /nfs/dbraw/zinc/39/84/01/741398401.db2.gz LNTNDBFPHIAHPH-HUUCEWRRSA-N 2 0 342.484 -0.131 20 0 EBADRP CNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001072740862 741469194 /nfs/dbraw/zinc/46/91/94/741469194.db2.gz NCTLQCIMESSZIB-DZGCQCFKSA-N 2 0 334.464 -0.003 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCN1CCNC1=O)C2)C1CC1 ZINC001072814881 741492736 /nfs/dbraw/zinc/49/27/36/741492736.db2.gz NYFZHCADETUTHB-OAHLLOKOSA-N 2 0 349.479 -0.114 20 0 EBADRP CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+]([C@H]1CCC(=O)NC1=O)C2)[NH+](C)C ZINC001072991135 741536729 /nfs/dbraw/zinc/53/67/29/741536729.db2.gz OBVQHTSCKCMMQE-STQMWFEESA-N 2 0 336.436 -0.334 20 0 EBADRP O=C(N1CC2(C1)CC[N@@H+]([C@@H]1CCCNC1=O)C2)C12CC[NH+](CC1)C2 ZINC001073129896 741567376 /nfs/dbraw/zinc/56/73/76/741567376.db2.gz GKKHTULTVNLJNG-CQSZACIVSA-N 2 0 332.448 -0.105 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCn2cncn2)CCCO1 ZINC001073555281 741650817 /nfs/dbraw/zinc/65/08/17/741650817.db2.gz ZEXZPDKRESATIR-HUUCEWRRSA-N 2 0 336.440 -0.421 20 0 EBADRP COCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073740043 741728451 /nfs/dbraw/zinc/72/84/51/741728451.db2.gz BDQFFWQXSLOBRZ-CVEARBPZSA-N 2 0 343.468 -0.051 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)[C@@H]2C)CC[N@@H+]1C ZINC001074661877 742054689 /nfs/dbraw/zinc/05/46/89/742054689.db2.gz PLXBGJGDWURARY-XQHKEYJVSA-N 2 0 336.440 -0.472 20 0 EBADRP CC[C@H](C(=O)NCC1(O)CCN(C(=O)CC[NH+](C)C)CC1)[NH+](C)C ZINC001074713239 742083617 /nfs/dbraw/zinc/08/36/17/742083617.db2.gz OMLVLVSNFDXXDD-CQSZACIVSA-N 2 0 342.484 -0.252 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C[NH2+]Cc1nnnn1C ZINC001075364351 742217656 /nfs/dbraw/zinc/21/76/56/742217656.db2.gz ICTVFQPNHUUJAP-ZIAGYGMSSA-N 2 0 335.456 -0.120 20 0 EBADRP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC001076206418 742405514 /nfs/dbraw/zinc/40/55/14/742405514.db2.gz NQZYJJYRKWHMNK-SOUVJXGZSA-N 2 0 348.447 -0.334 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3C[NH+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001076462541 742476385 /nfs/dbraw/zinc/47/63/85/742476385.db2.gz YZYAMMYYOFKCRX-OWCLPIDISA-N 2 0 349.479 -0.114 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001076571490 742500208 /nfs/dbraw/zinc/50/02/08/742500208.db2.gz LWRKZCXFNNHWLB-LSDHHAIUSA-N 2 0 348.447 -0.236 20 0 EBADRP C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001077979053 743389212 /nfs/dbraw/zinc/38/92/12/743389212.db2.gz YQWAHTKHKCCJKF-DAXOMENPSA-N 2 0 325.453 -0.350 20 0 EBADRP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001078174106 743514323 /nfs/dbraw/zinc/51/43/23/743514323.db2.gz BKZKBLVZKIKTRW-ARFHVFGLSA-N 2 0 335.452 -0.442 20 0 EBADRP C[N@H+](CCN1C(=O)CCC1=O)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000980390784 805878602 /nfs/dbraw/zinc/87/86/02/805878602.db2.gz KHZQJWVLIFSXRD-KBPBESRZSA-N 2 0 336.436 -0.380 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000983017504 806839651 /nfs/dbraw/zinc/83/96/51/806839651.db2.gz HVIQJYKBKDGOEG-LSDHHAIUSA-N 2 0 334.464 -0.001 20 0 EBADRP O=C(C(F)C(=O)N1CC[C@H]([NH+]2CCC2)C1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912904363 803804298 /nfs/dbraw/zinc/80/42/98/803804298.db2.gz XKMZERQQRRZHJE-KBPBESRZSA-N 2 0 338.427 -0.062 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000976795069 803844631 /nfs/dbraw/zinc/84/46/31/803844631.db2.gz WVDQQWFZCMLYIR-ARKGTOAJSA-N 2 0 334.464 -0.005 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000976871450 803925024 /nfs/dbraw/zinc/92/50/24/803925024.db2.gz UGAKXJBRTGSYAI-AIANPOQGSA-N 2 0 346.475 -0.003 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@H]32)C1 ZINC000977200946 804210274 /nfs/dbraw/zinc/21/02/74/804210274.db2.gz APKQTMFBZZNOOU-KSXIZUIISA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC000977201413 804212397 /nfs/dbraw/zinc/21/23/97/804212397.db2.gz HPFHQZAMGLJIHB-NMNMXBMNSA-N 2 0 334.464 -0.147 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]32)C1 ZINC000977207840 804224740 /nfs/dbraw/zinc/22/47/40/804224740.db2.gz KOTYIWHCAXVOHN-OIPACUDHSA-N 2 0 334.464 -0.003 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCN3CCCC3=O)C[C@H]21 ZINC000977920028 804564658 /nfs/dbraw/zinc/56/46/58/804564658.db2.gz LDCCXFJCFNKQIH-JONQDZQNSA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1)NC1CC1 ZINC000978147559 804692947 /nfs/dbraw/zinc/69/29/47/804692947.db2.gz RVOBPBWGZWPUSN-LUKYLMHMSA-N 2 0 346.475 -0.099 20 0 EBADRP Cc1nnc(CN2C[C@@H]3[C@@H](CNC(=O)[C@H]4CN(C)C[C@@H](C)O4)[C@@H]3C2)o1 ZINC000978358279 804806261 /nfs/dbraw/zinc/80/62/61/804806261.db2.gz RLGBACJUCYJSTM-DVLUHMITSA-N 2 0 349.435 -0.109 20 0 EBADRP C[C@H]([NH2+]Cc1cnnn1C)[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC000979423405 805367389 /nfs/dbraw/zinc/36/73/89/805367389.db2.gz CHYAYAGWXAGYOQ-ZFWWWQNUSA-N 2 0 336.440 -0.384 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)CC[N@@H+]1C ZINC000983708583 807086985 /nfs/dbraw/zinc/08/69/85/807086985.db2.gz LDEXZPQNRBCCKN-DHGKCCLASA-N 2 0 336.436 -0.384 20 0 EBADRP O=C(N[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC000985040420 807430505 /nfs/dbraw/zinc/43/05/05/807430505.db2.gz OHBOZUGIDWJBST-JHJVBQTASA-N 2 0 334.420 -0.628 20 0 EBADRP C[C@H](C(N)=O)[N@H+](C)C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000985722326 807569511 /nfs/dbraw/zinc/56/95/11/807569511.db2.gz YDUWMZSUUQNPBS-CYBMUJFWSA-N 2 0 340.468 -0.106 20 0 EBADRP C[C@@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987354703 807898683 /nfs/dbraw/zinc/89/86/83/807898683.db2.gz DVZMBDVKANMLOJ-OLZOCXBDSA-N 2 0 349.435 -0.787 20 0 EBADRP C[C@@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989685425 808556871 /nfs/dbraw/zinc/55/68/71/808556871.db2.gz BLLXXEAZZRXHSE-ZIAGYGMSSA-N 2 0 348.447 -0.190 20 0 EBADRP C[C@@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)CN1C(=O)C[NH+]1CCCC1 ZINC000989796083 808596327 /nfs/dbraw/zinc/59/63/27/808596327.db2.gz HEWOFWIREBITAZ-KGLIPLIRSA-N 2 0 336.436 -0.190 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1O ZINC000991481662 809543312 /nfs/dbraw/zinc/54/33/12/809543312.db2.gz IZXCIOHYNUHFCB-HUUCEWRRSA-N 2 0 338.452 -0.744 20 0 EBADRP Cn1ccnc1CCC(=O)N1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001001974858 809681758 /nfs/dbraw/zinc/68/17/58/809681758.db2.gz DHDXRXZKGGTUIQ-AWEZNQCLSA-N 2 0 333.436 -0.121 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001214755040 810275256 /nfs/dbraw/zinc/27/52/56/810275256.db2.gz PGAKGRIWPFPWPB-IJLUTSLNSA-N 2 0 345.419 -0.702 20 0 EBADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214847455 810285457 /nfs/dbraw/zinc/28/54/57/810285457.db2.gz FJSKYQWYJSIMIP-GHMZBOCLSA-N 2 0 325.413 -0.898 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC001215460782 810331174 /nfs/dbraw/zinc/33/11/74/810331174.db2.gz FTTRRGFKMHGZIG-ZIAGYGMSSA-N 2 0 346.497 -0.590 20 0 EBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215550861 810334979 /nfs/dbraw/zinc/33/49/79/810334979.db2.gz GQFXHPILBZIHFO-VXGBXAGGSA-N 2 0 339.440 -0.650 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)COC[C@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001215599056 810337032 /nfs/dbraw/zinc/33/70/32/810337032.db2.gz PDHNSFUYBOUNPH-QLFBSQMISA-N 2 0 340.468 -0.330 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001216226063 810363778 /nfs/dbraw/zinc/36/37/78/810363778.db2.gz LUYYIJXERXVUIJ-CHWSQXEVSA-N 2 0 334.486 -0.686 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(=O)(=O)CC)C1 ZINC001216226495 810364634 /nfs/dbraw/zinc/36/46/34/810364634.db2.gz VSAYWAHFLQOQAC-ZIAGYGMSSA-N 2 0 348.513 -0.296 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001216217269 810364684 /nfs/dbraw/zinc/36/46/84/810364684.db2.gz NTKJOYSTZLBWTP-CHWSQXEVSA-N 2 0 341.456 -0.390 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216402181 810372826 /nfs/dbraw/zinc/37/28/26/810372826.db2.gz WVSPCAGJAGYOJI-HUUCEWRRSA-N 2 0 342.484 -0.132 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1 ZINC001216758054 810385843 /nfs/dbraw/zinc/38/58/43/810385843.db2.gz WIWYQDCAIDSPLX-OWCLPIDISA-N 2 0 343.468 -0.600 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001216753968 810386084 /nfs/dbraw/zinc/38/60/84/810386084.db2.gz BXIAOPABRARVKZ-HZSPNIEDSA-N 2 0 346.435 -0.197 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1 ZINC001216758052 810386234 /nfs/dbraw/zinc/38/62/34/810386234.db2.gz WIWYQDCAIDSPLX-BZUAXINKSA-N 2 0 343.468 -0.600 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001216851592 810395940 /nfs/dbraw/zinc/39/59/40/810395940.db2.gz BFBXTWVPAXPAGJ-ZIAGYGMSSA-N 2 0 348.513 -0.346 20 0 EBADRP O=C(N[C@@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001014452487 810433419 /nfs/dbraw/zinc/43/34/19/810433419.db2.gz CXIDVPZHYAFSRJ-HUUCEWRRSA-N 2 0 348.447 -0.332 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1nc(Cl)nc2[nH]cnc21 ZINC001218589819 810508831 /nfs/dbraw/zinc/50/88/31/810508831.db2.gz WHXDBPQVSLTJDW-QMMMGPOBSA-N 2 0 338.803 -0.305 20 0 EBADRP Nc1cn(C(=O)[C@@H]([NH3+])CCC[NH3+])ccc1=[NH+]CCN1CCOCC1 ZINC001218621969 810512463 /nfs/dbraw/zinc/51/24/63/810512463.db2.gz PSUKLTXQWMGTAC-ZDUSSCGKSA-N 3 0 336.440 -0.990 20 0 EBADRP CCOC(=O)c1ncncc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218680734 810520755 /nfs/dbraw/zinc/52/07/55/810520755.db2.gz IFLJPOHYJOYNKP-NSHDSACASA-N 2 0 336.396 -0.658 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ncccc1N1CCOCC1 ZINC001218713789 810522452 /nfs/dbraw/zinc/52/24/52/810522452.db2.gz WWDBJSMIBKMRIX-AWEZNQCLSA-N 2 0 348.451 -0.393 20 0 EBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218723958 810523656 /nfs/dbraw/zinc/52/36/56/810523656.db2.gz AQDOCAGBVKMWRD-AWEZNQCLSA-N 2 0 346.435 -0.103 20 0 EBADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218730917 810525090 /nfs/dbraw/zinc/52/50/90/810525090.db2.gz GNENCFAVBLYMNX-MGPQQGTHSA-N 2 0 334.376 -0.088 20 0 EBADRP O=C(CN1CC[NH2+]CC1)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218879684 810538437 /nfs/dbraw/zinc/53/84/37/810538437.db2.gz GIAATBAFHALIJR-UHFFFAOYSA-N 2 0 331.420 -0.424 20 0 EBADRP COc1cc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c(C(N)=O)cc1OC ZINC001218968599 810549974 /nfs/dbraw/zinc/54/99/74/810549974.db2.gz IPYRXSZRIHALHB-JTQLQIEISA-N 2 0 334.376 -0.450 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1cccc(-n2nccn2)c1 ZINC001218985122 810550808 /nfs/dbraw/zinc/55/08/08/810550808.db2.gz WDXZVUWUPTVDNB-HNNXBMFYSA-N 2 0 329.408 -0.044 20 0 EBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001218998529 810552346 /nfs/dbraw/zinc/55/23/46/810552346.db2.gz OKEXPIGARXHRSN-SUHUHFCYSA-N 2 0 347.419 -0.591 20 0 EBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1ccc(N2CCC[C@H]([NH3+])C2)cc1 ZINC001219235980 810625688 /nfs/dbraw/zinc/62/56/88/810625688.db2.gz JQHRLTKUJCDBMZ-HUBLWGQQSA-N 2 0 349.435 -0.623 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@H]1[NH2+]CC[C@@H]1O)NC(=O)[C@]21CC[NH2+]C1 ZINC001219503722 810725239 /nfs/dbraw/zinc/72/52/39/810725239.db2.gz MZCYALGLSNBMNR-JDFRZJQESA-N 2 0 346.387 -0.460 20 0 EBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001219538378 810741686 /nfs/dbraw/zinc/74/16/86/810741686.db2.gz YIALMNAFUAKQFS-BREBYQMCSA-N 2 0 333.392 -0.151 20 0 EBADRP Cc1ccnc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])n1 ZINC001219599783 810764824 /nfs/dbraw/zinc/76/48/24/810764824.db2.gz FQYPAWTYASOWAK-KBPBESRZSA-N 2 0 348.451 -0.151 20 0 EBADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219618139 810773074 /nfs/dbraw/zinc/77/30/74/810773074.db2.gz WDXSKETVTUJASX-ZIBATOQPSA-N 2 0 333.404 -0.515 20 0 EBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219635766 810781501 /nfs/dbraw/zinc/78/15/01/810781501.db2.gz QNFKTVINUHLWTF-SDDRHHMPSA-N 2 0 333.429 -0.783 20 0 EBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1 ZINC001219640751 810782919 /nfs/dbraw/zinc/78/29/19/810782919.db2.gz BSOKSVRYLDZFHS-MELADBBJSA-N 2 0 343.493 -0.237 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720397 810807395 /nfs/dbraw/zinc/80/73/95/810807395.db2.gz LIZMUPGLGOEEPX-XDQVBPFNSA-N 2 0 328.457 -0.267 20 0 EBADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219719986 810807409 /nfs/dbraw/zinc/80/74/09/810807409.db2.gz CKUJNGMPJASWLK-QXSJWSMHSA-N 2 0 346.431 -0.610 20 0 EBADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720803 810807453 /nfs/dbraw/zinc/80/74/53/810807453.db2.gz RFOOYLWVFCNVKR-HRCADAONSA-N 2 0 329.404 -0.357 20 0 EBADRP [NH3+][C@H]1COC[C@H]1NC(=O)[C@@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1 ZINC001219720816 810807477 /nfs/dbraw/zinc/80/74/77/810807477.db2.gz RONGSFUXFUXENU-IAOVAPTHSA-N 2 0 343.431 -0.044 20 0 EBADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001219736953 810817449 /nfs/dbraw/zinc/81/74/49/810817449.db2.gz LLCCZHKXOWDDBY-GDBMZVCRSA-N 3 0 336.480 -0.055 20 0 EBADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001219736954 810817692 /nfs/dbraw/zinc/81/76/92/810817692.db2.gz LLCCZHKXOWDDBY-GOEBONIOSA-N 3 0 336.480 -0.055 20 0 EBADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219739444 810818491 /nfs/dbraw/zinc/81/84/91/810818491.db2.gz OQCZYKBEMCJEBY-GJZGRUSLSA-N 2 0 346.431 -0.833 20 0 EBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744542 810820294 /nfs/dbraw/zinc/82/02/94/810820294.db2.gz YMIMCEGZFWXPAU-KBPBESRZSA-N 2 0 340.468 -0.107 20 0 EBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001219748964 810823343 /nfs/dbraw/zinc/82/33/43/810823343.db2.gz FMWSYOVQCFTZAJ-MLGOLLRUSA-N 2 0 334.424 -0.454 20 0 EBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001219749164 810824155 /nfs/dbraw/zinc/82/41/55/810824155.db2.gz ISYJTWCGPKFZRP-KGLIPLIRSA-N 2 0 347.467 -0.539 20 0 EBADRP O=C(C[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)NCc1nnc2n1CCC[NH2+]C2 ZINC001219750253 810825141 /nfs/dbraw/zinc/82/51/41/810825141.db2.gz ZBCHWLWKLDRSTG-CXAGYDPISA-N 2 0 348.451 -0.064 20 0 EBADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001219791182 810842402 /nfs/dbraw/zinc/84/24/02/810842402.db2.gz ODQZOFPLNWSBAK-NUEKZKHPSA-N 2 0 334.420 -0.135 20 0 EBADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001219801144 810849880 /nfs/dbraw/zinc/84/98/80/810849880.db2.gz UKRWFKCBSDKVQK-OAGGEKHMSA-N 2 0 336.480 -0.055 20 0 EBADRP O=C(NCC[C@H]1CCOC12C[NH2+]C2)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001219802833 810849942 /nfs/dbraw/zinc/84/99/42/810849942.db2.gz DIFAQOUKAGVWEE-ZDUSSCGKSA-N 2 0 346.435 -0.615 20 0 EBADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)C1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001219801150 810850117 /nfs/dbraw/zinc/85/01/17/810850117.db2.gz UKVGJMAEEBWSLR-CVEARBPZSA-N 2 0 336.480 -0.055 20 0 EBADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001219831622 810867444 /nfs/dbraw/zinc/86/74/44/810867444.db2.gz QYCYBSJSGWBKFU-ABFRBSLYSA-N 3 0 336.480 -0.057 20 0 EBADRP [NH3+][C@@H](Cc1cscn1)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833385 810868262 /nfs/dbraw/zinc/86/82/62/810868262.db2.gz COAHAZKBKBGGBF-CORIIIEPSA-N 2 0 340.449 -0.476 20 0 EBADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001219833233 810868751 /nfs/dbraw/zinc/86/87/51/810868751.db2.gz AXCMXHMYGOEWEM-DVOMOZLQSA-N 2 0 325.409 -0.981 20 0 EBADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)C1=NO[C@@]2(CC[NH2+]C2)C1 ZINC001219833630 810868927 /nfs/dbraw/zinc/86/89/27/810868927.db2.gz FQYDSMJGQSQVPN-UHOFOFEASA-N 2 0 338.408 -0.994 20 0 EBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1C[NH2+]CCC1(F)F ZINC001219836617 810870762 /nfs/dbraw/zinc/87/07/62/810870762.db2.gz AYKFNEJLMBZNBY-DYEKYZERSA-N 2 0 333.379 -0.258 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219836630 810870768 /nfs/dbraw/zinc/87/07/68/810870768.db2.gz BCHMNBBBOZAATB-OFQRWUPVSA-N 3 0 328.457 -0.656 20 0 EBADRP CN(CC(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1CCC[NH2+]C1 ZINC001219838464 810870777 /nfs/dbraw/zinc/87/07/77/810870777.db2.gz QRVJFGRKGLXQQC-BFYDXBDKSA-N 2 0 340.468 -0.819 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847366 810877471 /nfs/dbraw/zinc/87/74/71/810877471.db2.gz FBKAOUDKVBGVQV-IQWQSGHPSA-N 2 0 333.432 -0.057 20 0 EBADRP [NH3+][C@H](C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)C1CCC2(CC1)OCCO2 ZINC001219847755 810877646 /nfs/dbraw/zinc/87/76/46/810877646.db2.gz RQWUEMNVECLRPV-ZQDZILKHSA-N 2 0 339.436 -0.117 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219851752 810878683 /nfs/dbraw/zinc/87/86/83/810878683.db2.gz CWWZXGKAYQHLHO-ODXJTPSBSA-N 2 0 325.409 -0.874 20 0 EBADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001219852255 810879244 /nfs/dbraw/zinc/87/92/44/810879244.db2.gz PDRCOLZVICXNRI-ZOFXXKQRSA-N 2 0 336.480 -0.199 20 0 EBADRP [NH3+]C1(C(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)CCC2(CC1)OCCO2 ZINC001219852184 810879313 /nfs/dbraw/zinc/87/93/13/810879313.db2.gz NGWWRCZHCSWVPW-MELADBBJSA-N 2 0 339.436 -0.258 20 0 EBADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001219856158 810880194 /nfs/dbraw/zinc/88/01/94/810880194.db2.gz AIFVQPNSTTWZQE-WIMVFMHDSA-N 2 0 342.443 -0.185 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1CCc2[nH]c(=O)ccc2C1 ZINC001219890493 810896317 /nfs/dbraw/zinc/89/63/17/810896317.db2.gz INMBYZQIDHAMIJ-KGLIPLIRSA-N 2 0 333.436 -0.489 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN([C@@H]2CCCN(C)C2=O)C[C@@H]1O ZINC001219902387 810902231 /nfs/dbraw/zinc/90/22/31/810902231.db2.gz ALEYRNABFNEPRZ-MCIONIFRSA-N 2 0 340.468 -0.501 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC[C@@H](O)COc1ccccc1 ZINC001219919104 810907102 /nfs/dbraw/zinc/90/71/02/810907102.db2.gz XUCUPBXDZMJEMB-GDBMZVCRSA-N 2 0 336.436 -0.707 20 0 EBADRP CS(=O)(=O)N(C(=O)[C@@]1(N)CCC[NH2+]C1)c1ccc(C[NH3+])cc1 ZINC001219939287 810916719 /nfs/dbraw/zinc/91/67/19/810916719.db2.gz YZPSZBNLHCYYIF-CQSZACIVSA-N 2 0 326.422 -0.481 20 0 EBADRP COC(=O)C1(NC(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001220001272 810941585 /nfs/dbraw/zinc/94/15/85/810941585.db2.gz OILOTUOBIXUJFF-ZIAGYGMSSA-N 2 0 338.452 -0.528 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1cccnn1 ZINC001220018805 810949603 /nfs/dbraw/zinc/94/96/03/810949603.db2.gz TYLUAVFAOWSCCU-KBPBESRZSA-N 2 0 334.424 -0.460 20 0 EBADRP CC(C)(C)OC(=O)C1(NC(=O)[C@@]2(N)CC[NH2+]C2)CCC([NH3+])CC1 ZINC001220039732 810957531 /nfs/dbraw/zinc/95/75/31/810957531.db2.gz QQPNFVADWIJLBL-YWCUFVOSSA-N 2 0 326.441 -0.225 20 0 EBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+] ZINC001220103141 810983001 /nfs/dbraw/zinc/98/30/01/810983001.db2.gz IDMUZCVEBGLGTI-ZDUSSCGKSA-N 3 0 334.424 -0.866 20 0 EBADRP COC(=O)[C@]1(NC(=O)[C@H]([NH3+])CCC[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC001220226569 811024059 /nfs/dbraw/zinc/02/40/59/811024059.db2.gz VIZYMGNAUDJXNA-QAPCUYQASA-N 3 0 348.447 -0.014 20 0 EBADRP COC(=O)[C@@]1(NC(=O)[C@@H]2C[NH2+]CCN2)CC[N@H+](Cc2ccccc2)C1 ZINC001220228482 811026354 /nfs/dbraw/zinc/02/63/54/811026354.db2.gz ODTGZRUVIKBJJG-MAUKXSAKSA-N 2 0 346.431 -0.518 20 0 EBADRP COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@H]([NH3+])CN2)CC[N@H+](Cc2ccccc2)C1 ZINC001220228286 811026714 /nfs/dbraw/zinc/02/67/14/811026714.db2.gz HJEHTCKVPWNEKI-RLFYNMQTSA-N 2 0 346.431 -0.391 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]1O ZINC001220274814 811043815 /nfs/dbraw/zinc/04/38/15/811043815.db2.gz FLGRFDCEIGPCCB-BBWFWOEESA-N 2 0 335.448 -0.297 20 0 EBADRP O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001220317026 811053334 /nfs/dbraw/zinc/05/33/34/811053334.db2.gz UWIKBGOWRFCNIE-ZENOOKHLSA-N 2 0 336.436 -0.871 20 0 EBADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)N[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC001220320258 811055177 /nfs/dbraw/zinc/05/51/77/811055177.db2.gz MCMSEOFJFLEJIN-RLFYNMQTSA-N 2 0 346.431 -0.317 20 0 EBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220319037 811055853 /nfs/dbraw/zinc/05/58/53/811055853.db2.gz CMEIGDPWVRFQKJ-DVOMOZLQSA-N 2 0 326.441 -0.497 20 0 EBADRP O=C(N[C@H]1CO[C@]2(C1)CCC[NH2+]C2)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001220321548 811056820 /nfs/dbraw/zinc/05/68/20/811056820.db2.gz VJPQNTBZMOGNOT-DYVFJYSZSA-N 2 0 346.435 -0.473 20 0 EBADRP [NH3+]CCOCCOCCNC(=O)[C@@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001220519672 811135391 /nfs/dbraw/zinc/13/53/91/811135391.db2.gz XLNGIPCPWCILIS-CABCVRRESA-N 2 0 328.457 -0.689 20 0 EBADRP CCOC(=O)C1=C(NC(=O)C[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)CC[NH2+]C1 ZINC001220521766 811137541 /nfs/dbraw/zinc/13/75/41/811137541.db2.gz NYSRSHAHMWFKTB-JMSVASOKSA-N 2 0 337.420 -0.072 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]C[C@@H]2OC(C)=O)CC[NH2+]C1 ZINC001220523520 811138831 /nfs/dbraw/zinc/13/88/31/811138831.db2.gz RCNWSELIEWEDRY-AAEUAGOBSA-N 2 0 325.365 -0.936 20 0 EBADRP COC(=O)C[C@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)c1cccnc1 ZINC001220530783 811142970 /nfs/dbraw/zinc/14/29/70/811142970.db2.gz XFSHFCLWCIIJOU-GJZGRUSLSA-N 2 0 349.435 -0.448 20 0 EBADRP CC(C)([NH3+])CN(C(=O)[C@@H](N)CC[NH3+])S(=O)(=O)c1ccccc1 ZINC001220535839 811144272 /nfs/dbraw/zinc/14/42/72/811144272.db2.gz NEILOPFELFCCKA-LBPRGKRZSA-N 2 0 328.438 -0.383 20 0 EBADRP CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220565584 811157521 /nfs/dbraw/zinc/15/75/21/811157521.db2.gz NVEFYKHQZKICBY-DDUZABMNSA-N 2 0 346.431 -0.129 20 0 EBADRP CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220567607 811158234 /nfs/dbraw/zinc/15/82/34/811158234.db2.gz HFNFPKCQYDPUNR-HUUCEWRRSA-N 2 0 334.420 -0.001 20 0 EBADRP CC(C)OCC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220638141 811184102 /nfs/dbraw/zinc/18/41/02/811184102.db2.gz TZMNKNLVOBXXTA-CVEARBPZSA-N 2 0 343.468 -0.317 20 0 EBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220651927 811189792 /nfs/dbraw/zinc/18/97/92/811189792.db2.gz RFMXUHMMROCNCB-INIZCTEOSA-N 2 0 345.447 -0.338 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H]2CCc3ncnn32)C[C@@H]1O ZINC001220688292 811202540 /nfs/dbraw/zinc/20/25/40/811202540.db2.gz DUXCBRDHCYDYAC-MCIONIFRSA-N 2 0 336.440 -0.732 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COCC(C)C)C[C@@H]1O ZINC001220689526 811204703 /nfs/dbraw/zinc/20/47/03/811204703.db2.gz KCFVFPIKCWUBSQ-XHSDSOJGSA-N 2 0 345.484 -0.477 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CC(N)=O)C2)n1 ZINC001036719728 811230247 /nfs/dbraw/zinc/23/02/47/811230247.db2.gz IRJWFPYWTFANNZ-HIFRSBDPSA-N 2 0 348.451 -0.534 20 0 EBADRP COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001220769773 811234839 /nfs/dbraw/zinc/23/48/39/811234839.db2.gz QSAVDZMDCNZJJF-UONOGXRCSA-N 2 0 339.440 -0.320 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001220768432 811234900 /nfs/dbraw/zinc/23/49/00/811234900.db2.gz LJWZEMHUXHENBF-ZNMIVQPWSA-N 2 0 329.441 -0.848 20 0 EBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220789333 811243107 /nfs/dbraw/zinc/24/31/07/811243107.db2.gz KMWUCVRTCDDNEZ-MCIONIFRSA-N 2 0 334.424 -0.376 20 0 EBADRP O=C(NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001220791417 811243339 /nfs/dbraw/zinc/24/33/39/811243339.db2.gz XVUJJUDVEMUWJT-QEJZJMRPSA-N 2 0 329.404 -0.674 20 0 EBADRP Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220798681 811246358 /nfs/dbraw/zinc/24/63/58/811246358.db2.gz FIVLSLXEXWEBGL-CVEARBPZSA-N 2 0 337.468 -0.144 20 0 EBADRP CCOC(=O)C1(NC(=O)[C@H](CC(=O)OC(C)(C)C)[NH2+]C)C[NH2+]C1 ZINC001220851201 811267308 /nfs/dbraw/zinc/26/73/08/811267308.db2.gz METGUQUYONWDIZ-JTQLQIEISA-N 2 0 329.397 -0.673 20 0 EBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCCOCCN1C(=O)C=CC1=O ZINC001220878890 811279312 /nfs/dbraw/zinc/27/93/12/811279312.db2.gz VJTKGFPMNLZKME-ZDUSSCGKSA-N 2 0 340.424 -0.897 20 0 EBADRP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)[C@@H](N)C[NH3+])CC2)c1 ZINC001220913556 811291335 /nfs/dbraw/zinc/29/13/35/811291335.db2.gz VLARXEXEEMLJLQ-HNNXBMFYSA-N 2 0 334.420 -0.160 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCC(=O)NCc1ccc(F)cc1 ZINC001220939269 811302175 /nfs/dbraw/zinc/30/21/75/811302175.db2.gz KFXHKFNTUFJDEX-LBPRGKRZSA-N 2 0 328.413 -0.423 20 0 EBADRP O=C(NCCO[C@@H]1CC[NH2+]C1)c1ccc2c(c1)[C@H]1C[NH2+]C[C@H]1NC2=O ZINC001220939656 811303975 /nfs/dbraw/zinc/30/39/75/811303975.db2.gz RLYQEFWKJUTKHG-DAXOMENPSA-N 2 0 344.415 -0.406 20 0 EBADRP N[C@]1(C(=O)N2CCC([NH3+])(C(=O)NCc3ccccc3)CC2)CC[NH2+]C1 ZINC001220970971 811316737 /nfs/dbraw/zinc/31/67/37/811316737.db2.gz NUPMIHYZHBLLBA-GOSISDBHSA-N 2 0 345.447 -0.687 20 0 EBADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)CCCCNC(N)=[NH2+])CC1 ZINC001221007018 811340740 /nfs/dbraw/zinc/34/07/40/811340740.db2.gz RRBBCELEMLGOEZ-JOCQHMNTSA-N 2 0 340.472 -0.255 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)C[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001221188025 811409371 /nfs/dbraw/zinc/40/93/71/811409371.db2.gz MQBCBSFBLSUKBJ-XEZPLFJOSA-N 2 0 327.425 -0.068 20 0 EBADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC[NH3+])C(=O)OC ZINC001221188382 811411501 /nfs/dbraw/zinc/41/15/01/811411501.db2.gz UUTHKNJKIWCTHD-QWRGUYRKSA-N 2 0 331.413 -0.297 20 0 EBADRP O=C(NCCN1CCCS1(=O)=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001221335515 811443668 /nfs/dbraw/zinc/44/36/68/811443668.db2.gz HNYJDMMYMDNABG-GFCCVEGCSA-N 2 0 330.454 -0.988 20 0 EBADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)c1ccc2c(c1)[C@H]1C[NH2+]C[C@H]1NC2=O ZINC001221372295 811448187 /nfs/dbraw/zinc/44/81/87/811448187.db2.gz VCZMYBSHFAPHIO-KBUPBQIOSA-N 2 0 332.379 -0.085 20 0 EBADRP NC1=CC=C(C2CCN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)CC2)[NH2+]C1 ZINC001221391344 811448842 /nfs/dbraw/zinc/44/88/42/811448842.db2.gz DQLKDNFSIKKSSR-MRXNPFEDSA-N 3 0 348.495 -0.695 20 0 EBADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001221398352 811451277 /nfs/dbraw/zinc/45/12/77/811451277.db2.gz YHPVCODWLGDBDB-HOTGVXAUSA-N 2 0 342.443 -0.067 20 0 EBADRP C[N@@H+]1C[C@H](C(=O)N[C@H](C2CCC2)C2C[NH2+]C2)OC2(CC[NH2+]CC2)C1 ZINC001221408252 811452448 /nfs/dbraw/zinc/45/24/48/811452448.db2.gz HNOHMWGQZOPOST-HZPDHXFCSA-N 3 0 336.480 -0.057 20 0 EBADRP [NH3+]CCNC(=O)c1cccc(CN2CC(=O)NC[C@@]23CC[NH2+]C3)c1 ZINC001222374454 811625240 /nfs/dbraw/zinc/62/52/40/811625240.db2.gz SIPJPEDRUHYMBO-KRWDZBQOSA-N 2 0 331.420 -0.961 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCC1CC[NH+](CC(N)=O)CC1 ZINC001223604092 811715598 /nfs/dbraw/zinc/71/55/98/811715598.db2.gz BGAQBNBMFGWRHU-UHFFFAOYSA-N 2 0 340.468 -0.342 20 0 EBADRP C[NH+](C)CCCC(=O)NCC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001224253979 811751809 /nfs/dbraw/zinc/75/18/09/811751809.db2.gz NEQVANLNQPHHDP-UHFFFAOYSA-N 2 0 327.429 -0.649 20 0 EBADRP C[NH+](C)CCCC(=O)NCC1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC001224272672 811753445 /nfs/dbraw/zinc/75/34/45/811753445.db2.gz DWFJKKQNVAGTNW-UHFFFAOYSA-N 2 0 348.513 -0.294 20 0 EBADRP CCOCCNC(=O)C[NH+]1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224337676 811757291 /nfs/dbraw/zinc/75/72/91/811757291.db2.gz MBORKKVGPNBVSE-UHFFFAOYSA-N 2 0 342.484 -0.081 20 0 EBADRP COC[C@@H](O)C[NH+]1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001225154732 811795790 /nfs/dbraw/zinc/79/57/90/811795790.db2.gz HJALUXPDGMWOJM-HNNXBMFYSA-N 2 0 325.453 -0.082 20 0 EBADRP CNC(=O)[C@@H](C)[NH+]1CCC(CNC(=O)COCC[NH+](C)C)CC1 ZINC001225162874 811796832 /nfs/dbraw/zinc/79/68/32/811796832.db2.gz NDJAFXJWVDVHLU-CYBMUJFWSA-N 2 0 328.457 -0.473 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC1CC[NH+](CCn2cncn2)CC1 ZINC001225162912 811796913 /nfs/dbraw/zinc/79/69/13/811796913.db2.gz NURUNYHMEJKRFF-UHFFFAOYSA-N 2 0 338.456 -0.316 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC2CC[NH+](CCNS(C)(=O)=O)CC2)C1 ZINC001225426585 811808802 /nfs/dbraw/zinc/80/88/02/811808802.db2.gz CWHMBAZQYTYFIS-AWEZNQCLSA-N 2 0 346.497 -0.685 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CC[NH+](CCNS(C)(=O)=O)CC2)C1 ZINC001225426586 811809383 /nfs/dbraw/zinc/80/93/83/811809383.db2.gz CWHMBAZQYTYFIS-CQSZACIVSA-N 2 0 346.497 -0.685 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001225447951 811810033 /nfs/dbraw/zinc/81/00/33/811810033.db2.gz CTPWAOVGYCOPJZ-ZIAGYGMSSA-N 2 0 340.468 -0.343 20 0 EBADRP O=C(C[NH+]1CCCC1)NCC1CC[NH+](CCN2CCNC2=O)CC1 ZINC001225442582 811810988 /nfs/dbraw/zinc/81/09/88/811810988.db2.gz NWQDRIJZWMVALD-UHFFFAOYSA-N 2 0 337.468 -0.064 20 0 EBADRP CNC(=O)C[NH+]1CCC(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001225442505 811811140 /nfs/dbraw/zinc/81/11/40/811811140.db2.gz LUPUTFCUSVSHAS-AWEZNQCLSA-N 2 0 340.468 -0.471 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC001225582092 811819317 /nfs/dbraw/zinc/81/93/17/811819317.db2.gz CUXWWKMMHYJLDP-GFCCVEGCSA-N 2 0 341.456 -0.262 20 0 EBADRP CCN(C(=O)COCC[NH+](C)C)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001080138301 811912196 /nfs/dbraw/zinc/91/21/96/811912196.db2.gz FUAPFZSVCWMRNY-CQSZACIVSA-N 2 0 340.468 -0.424 20 0 EBADRP CC[C@H](C(=O)N1CC(N(CC)C(=O)COCC[NH+](C)C)C1)[NH+](C)C ZINC001080138794 811913301 /nfs/dbraw/zinc/91/33/01/811913301.db2.gz OYGPESPIXUXQFH-OAHLLOKOSA-N 2 0 342.484 -0.036 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CC)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001080191978 811932668 /nfs/dbraw/zinc/93/26/68/811932668.db2.gz FOWGYBVQJAEJQF-UHFFFAOYSA-N 2 0 342.484 -0.034 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228355780 811976556 /nfs/dbraw/zinc/97/65/56/811976556.db2.gz UWXXSRRBAHRMSG-ZIAGYGMSSA-N 2 0 348.513 -0.106 20 0 EBADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228377004 811977763 /nfs/dbraw/zinc/97/77/63/811977763.db2.gz JYFNFQGZEJTOSL-ARFHVFGLSA-N 2 0 345.484 -0.021 20 0 EBADRP C[C@@H](COCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O)[NH+]1CCCC1 ZINC001228669562 811992769 /nfs/dbraw/zinc/99/27/69/811992769.db2.gz SMYRBRATCRBYIJ-RRFJBIMHSA-N 2 0 340.468 -0.010 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC ZINC001229232127 812021827 /nfs/dbraw/zinc/02/18/27/812021827.db2.gz YGCKCDUMAGXYBC-CHWSQXEVSA-N 2 0 341.456 -0.199 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC ZINC001229503542 812036717 /nfs/dbraw/zinc/03/67/17/812036717.db2.gz KJMQEHCGOUCVRG-CHWSQXEVSA-N 2 0 341.456 -0.199 20 0 EBADRP Cn1ncc(CN[C@@H]2CCCC[C@H]2NC(=O)COCC[NH+](C)C)n1 ZINC001229711327 812050626 /nfs/dbraw/zinc/05/06/26/812050626.db2.gz ZSMGONRMKUEOKI-HUUCEWRRSA-N 2 0 338.456 -0.090 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001229853281 812059371 /nfs/dbraw/zinc/05/93/71/812059371.db2.gz QGSQHOOODONWPY-CHWSQXEVSA-N 2 0 341.456 -0.070 20 0 EBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)COCC[NH+](C)C)CC2)C1=O ZINC001230048510 812071516 /nfs/dbraw/zinc/07/15/16/812071516.db2.gz DXROXZRBSOKAKO-CQSZACIVSA-N 2 0 326.441 -0.624 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001230138203 812078903 /nfs/dbraw/zinc/07/89/03/812078903.db2.gz JXDPCJJXSRBPHH-YNEHKIRRSA-N 2 0 339.440 -0.589 20 0 EBADRP CC(=O)NCCOCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001230262568 812092759 /nfs/dbraw/zinc/09/27/59/812092759.db2.gz GNZRCJQYVSUUDL-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC1CC[NH+](CCOCCO)CC1 ZINC001230275602 812095943 /nfs/dbraw/zinc/09/59/43/812095943.db2.gz UBBHVNFMHIOHKS-OAHLLOKOSA-N 2 0 343.468 -0.456 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001230279939 812097488 /nfs/dbraw/zinc/09/74/88/812097488.db2.gz KCPZXIPZAKTQBO-CHWSQXEVSA-N 2 0 338.456 -0.034 20 0 EBADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080939856 812376716 /nfs/dbraw/zinc/37/67/16/812376716.db2.gz MWXCCGOTQSXCLB-HZSPNIEDSA-N 2 0 336.436 -0.476 20 0 EBADRP C[NH+](C)CCC(=O)NC1(CO)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001080989312 812427930 /nfs/dbraw/zinc/42/79/30/812427930.db2.gz RWTSREXJPIGUHY-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC(CO)(NC(=O)CC[NH+](C)C)CC1 ZINC001080989009 812428119 /nfs/dbraw/zinc/42/81/19/812428119.db2.gz KNKLJTGWANWWHW-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP c1nc2n(n1)C1(CC[NH2+]CC1)CN(Cc1cnc3n1CC[NH2+]CC3)C2 ZINC001235145413 812472480 /nfs/dbraw/zinc/47/24/80/812472480.db2.gz VARZWAZNPFFVEE-UHFFFAOYSA-N 2 0 342.451 -0.285 20 0 EBADRP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CCC[C@H](N4CC(C[NH3+])C4)C3)[C@@H](O)[C@@H]2O1 ZINC001236079246 812516014 /nfs/dbraw/zinc/51/60/14/812516014.db2.gz MXNAIIJQOZEMKL-QMHWVQJVSA-N 2 0 341.452 -0.421 20 0 EBADRP COc1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(OC)n1 ZINC001236310633 812516919 /nfs/dbraw/zinc/51/69/19/812516919.db2.gz KQZVVEGDLGDVDO-UHFFFAOYSA-N 2 0 339.440 -0.285 20 0 EBADRP COC(=O)[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)nc2)C[C@@H]1[NH3+] ZINC001236355120 812518616 /nfs/dbraw/zinc/51/86/16/812518616.db2.gz OXPMRLHVSBYSGY-GJZGRUSLSA-N 2 0 333.436 -0.235 20 0 EBADRP Cc1nc(S(=O)(=O)NC[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)cn1C ZINC001238243954 812525173 /nfs/dbraw/zinc/52/51/73/812525173.db2.gz XAJDUPFTXYMJOG-GFCCVEGCSA-N 2 0 327.454 -0.119 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238414603 812528016 /nfs/dbraw/zinc/52/80/16/812528016.db2.gz VBTMDRYDNNKPNH-OLZOCXBDSA-N 2 0 333.454 -0.553 20 0 EBADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1CCN(C2CC[NH2+]CC2)C1 ZINC001238809967 812531897 /nfs/dbraw/zinc/53/18/97/812531897.db2.gz BAUOFOIDJXTEDC-CQSZACIVSA-N 2 0 330.498 -0.268 20 0 EBADRP CC(=O)Nc1ncc(S(=O)(=O)NCCC[NH2+]CCC[NH3+])s1 ZINC001238879180 812534956 /nfs/dbraw/zinc/53/49/56/812534956.db2.gz QWDBDZYNDSXEBT-UHFFFAOYSA-N 2 0 335.455 -0.292 20 0 EBADRP CCOC(=O)[C@@H]1CC2(CN1S(=O)(=O)[C@H]1CC[NH2+]C1)CC[NH2+]CC2 ZINC001239000824 812538751 /nfs/dbraw/zinc/53/87/51/812538751.db2.gz OQFVZXXZWLFFQG-STQMWFEESA-N 2 0 345.465 -0.315 20 0 EBADRP C[NH+](C)CCN([C@H]1CCC[NH2+]C1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC001239168219 812550063 /nfs/dbraw/zinc/55/00/63/812550063.db2.gz UXDJLGQWVLOOQN-HNNXBMFYSA-N 3 0 332.514 -0.069 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C(=O)NCCC(F)(F)F ZINC001239294708 812550987 /nfs/dbraw/zinc/55/09/87/812550987.db2.gz CCQVVOXFAKGDAR-UHFFFAOYSA-N 2 0 327.351 -0.236 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C(=S)NC[C@H]1CCCO1 ZINC001239450464 812553900 /nfs/dbraw/zinc/55/39/00/812553900.db2.gz FTKOBGPAANCRGM-GFCCVEGCSA-N 2 0 331.486 -0.844 20 0 EBADRP O[C@H](C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)CO1)CC1(O)CC[NH2+]CC1 ZINC001245978303 812557129 /nfs/dbraw/zinc/55/71/29/812557129.db2.gz AWUJIJJCDAZJII-JKSUJKDBSA-N 3 0 341.496 -0.010 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C[C@@H]1CC[NH2+]C[C@H]1O ZINC001246001846 812558141 /nfs/dbraw/zinc/55/81/41/812558141.db2.gz NFLIDIYWLXVTAA-DANNLKNASA-N 3 0 329.391 -0.245 20 0 EBADRP CCOC(=O)CC1(NC[C@@H](O)CC2(O)CC[NH2+]CC2)CC[NH2+]CC1 ZINC001246007080 812558334 /nfs/dbraw/zinc/55/83/34/812558334.db2.gz WRIXZQUPWVNFCQ-AWEZNQCLSA-N 2 0 343.468 -0.483 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC[C@]1(O)CCC[NH2+]C1 ZINC001246004201 812558678 /nfs/dbraw/zinc/55/86/78/812558678.db2.gz SHAJQIZSNIEENN-XHSDSOJGSA-N 2 0 329.391 -0.100 20 0 EBADRP OCCc1ccc(OC[C@@H](O)C[NH2+]C2CN(C3CC[NH2+]CC3)C2)cc1 ZINC001245991732 812558740 /nfs/dbraw/zinc/55/87/40/812558740.db2.gz WIFSXXQQKIMCPY-SFHVURJKSA-N 2 0 349.475 -0.013 20 0 EBADRP [NH3+]CCCNCCC[NH2+]C[C@@H](O)COc1ccc(CCO)cc1 ZINC001246007732 812559020 /nfs/dbraw/zinc/55/90/20/812559020.db2.gz GBQOQLKGGRHLOG-MRXNPFEDSA-N 2 0 325.453 -0.121 20 0 EBADRP O[C@H](C[NH2+][C@@H]1CCN(C2CC[NH2+]CC2)C1)CC1(O)CC[NH2+]CC1 ZINC001246007456 812559195 /nfs/dbraw/zinc/55/91/95/812559195.db2.gz UALISJYDRCEANF-ZBFHGGJFSA-N 3 0 326.485 -0.732 20 0 EBADRP CCOC(=O)C1(NC[C@@H](O)CC2(O)CC[NH2+]CC2)CC[NH2+]CC1 ZINC001246017509 812559470 /nfs/dbraw/zinc/55/94/70/812559470.db2.gz JQCRFMAGRLNUEX-ZDUSSCGKSA-N 2 0 329.441 -0.873 20 0 EBADRP O[C@@H](C[N@@H+]1CCOCC2(CC[NH2+]CC2)C1)CC1(O)CC[NH2+]CC1 ZINC001246022302 812560044 /nfs/dbraw/zinc/56/00/44/812560044.db2.gz JGHRNDFYUXEEMC-OAHLLOKOSA-N 3 0 327.469 -0.446 20 0 EBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN1C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001246060410 812561894 /nfs/dbraw/zinc/56/18/94/812561894.db2.gz CIMANTGZFDXOBI-ZQDZILKHSA-N 2 0 343.374 -0.230 20 0 EBADRP O[C@H](COc1ccc(F)cc1)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246054494 812562682 /nfs/dbraw/zinc/56/26/82/812562682.db2.gz JNWPKHOPEKJSPQ-INIZCTEOSA-N 2 0 340.443 -0.350 20 0 EBADRP [NH3+]C1CCN(C2CC[NH+](C[C@@H](O)CC3(O)CC[NH2+]CC3)CC2)CC1 ZINC001246070863 812563259 /nfs/dbraw/zinc/56/32/59/812563259.db2.gz PVHFUHCQODBJTC-KRWDZBQOSA-N 3 0 340.512 -0.261 20 0 EBADRP [NH3+][C@H]1CCN(C2CC[NH+](C[C@H](O)CC3(O)CC[NH2+]CC3)CC2)C1 ZINC001246070693 812563496 /nfs/dbraw/zinc/56/34/96/812563496.db2.gz OYKMSTKIEJBVSQ-GOEBONIOSA-N 3 0 326.485 -0.651 20 0 EBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C2CN(C3CC[NH2+]CC3)C2)C[C@@H]1C(=O)OC ZINC001246218848 812569187 /nfs/dbraw/zinc/56/91/87/812569187.db2.gz UNSPSKBYPLNNRU-UWEBFBLFSA-N 2 0 339.436 -0.247 20 0 EBADRP CC[C@@]1(C(=O)OC)C[C@@H]([NH2+]CCOCCOCCOCC[NH3+])CN1 ZINC001246289005 812569328 /nfs/dbraw/zinc/56/93/28/812569328.db2.gz MXMIPELBWNLEHO-ZBFHGGJFSA-N 2 0 347.456 -0.732 20 0 EBADRP CCOC(=O)C[C@@H]([NH2+][C@@H]1CN[C@@H](C(=O)OC)C1)C1CC[NH2+]CC1 ZINC001246231487 812569387 /nfs/dbraw/zinc/56/93/87/812569387.db2.gz UVBDDDMCSLUZLJ-BFHYXJOUSA-N 2 0 327.425 -0.199 20 0 EBADRP CCOC(=O)C1(C[NH2+][C@H]2CCN[C@H](C(=O)OC)C2)CC[NH2+]CC1 ZINC001246319122 812570917 /nfs/dbraw/zinc/57/09/17/812570917.db2.gz LMHUDCLJDRHFHH-STQMWFEESA-N 2 0 327.425 -0.198 20 0 EBADRP O=C([C@@H]1C[C@@H](N[C@@H]2CCO[C@]23CC[NH2+]C3)C[NH2+]1)N1CCSC1 ZINC001246334365 812571049 /nfs/dbraw/zinc/57/10/49/812571049.db2.gz QXTLZWYTDYOXFH-COMQUAJESA-N 2 0 326.466 -0.640 20 0 EBADRP C[C@H]1CC[C@@H](n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)C[NH2+]1 ZINC001246482282 812573657 /nfs/dbraw/zinc/57/36/57/812573657.db2.gz MYMPBXWOONWQNH-NEBZKDRISA-N 2 0 348.451 -0.458 20 0 EBADRP [NH3+]C[C@@]1(O)CCCCN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C1 ZINC001246563441 812575496 /nfs/dbraw/zinc/57/54/96/812575496.db2.gz UUHYSIAHARMDQV-YDHLFZDLSA-N 2 0 328.482 -0.575 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CN[C@H](C(=O)OC(C)(C)C)C1 ZINC001246512482 812575570 /nfs/dbraw/zinc/57/55/70/812575570.db2.gz NWQJTJPPAQXKIH-AGIUHOORSA-N 2 0 328.457 -0.108 20 0 EBADRP O=C([C@@H]1C[C@H](N2CCN[C@H]3CC[NH2+]CC[C@@H]32)C[NH2+]1)N1CCSC1 ZINC001246619492 812576807 /nfs/dbraw/zinc/57/68/07/812576807.db2.gz RYRFYUUTBKTXCP-AJNGGQMLSA-N 2 0 339.509 -0.724 20 0 EBADRP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@@H+](C1C[C@@H]3COC[C@H](C1)N3)C2 ZINC001246671109 812580723 /nfs/dbraw/zinc/58/07/23/812580723.db2.gz HEXKHTMMPSJXEO-DNQCCUHYSA-N 2 0 335.448 -0.164 20 0 EBADRP O=C(c1nn([C@@H]2CCNC3(C[NH2+]C3)C2)c2c1C[NH2+]CC2)N1CC=CC1 ZINC001246704430 812581775 /nfs/dbraw/zinc/58/17/75/812581775.db2.gz GLNZNSATSYAGIN-CYBMUJFWSA-N 2 0 342.447 -0.193 20 0 EBADRP c1cnc(N2CCO[C@H]3C[N@@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)C[C@H]32)cn1 ZINC001246717815 812583538 /nfs/dbraw/zinc/58/35/38/812583538.db2.gz WNWZAYAKCSTMGZ-KFWWJZLASA-N 2 0 330.436 -0.540 20 0 EBADRP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN([C@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]21 ZINC001246760955 812586647 /nfs/dbraw/zinc/58/66/47/812586647.db2.gz RRSNZLNVYRCTCD-QZWWFDLISA-N 2 0 345.495 -0.233 20 0 EBADRP COCCC[NH+]1CCC(N2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001246819727 812589246 /nfs/dbraw/zinc/58/92/46/812589246.db2.gz IFHTYYBXAIWGER-UHFFFAOYSA-N 3 0 327.517 -0.428 20 0 EBADRP CS(=O)(=O)C1CCC(N2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001246822184 812589433 /nfs/dbraw/zinc/58/94/33/812589433.db2.gz RPOCQXMFPAIAMJ-UHFFFAOYSA-N 2 0 332.514 -0.573 20 0 EBADRP CCOC(=O)[C@]12C[N@@H+]([C@H]3CC[C@@H](C(=O)OC)NC3)C[C@H]1C[NH2+]CC2 ZINC001246854038 812590300 /nfs/dbraw/zinc/59/03/00/812590300.db2.gz BTULXRRFPGCIGP-XJIUQZFPSA-N 2 0 339.436 -0.245 20 0 EBADRP COC(=O)[C@H]1CCC[C@@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])C1 ZINC001246926250 812593056 /nfs/dbraw/zinc/59/30/56/812593056.db2.gz RWIMUSKKDIDWPN-UONOGXRCSA-N 3 0 328.457 -0.166 20 0 EBADRP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])[C@H]1CCC[C@H](n2ncnn2)C1 ZINC001246925096 812593431 /nfs/dbraw/zinc/59/34/31/812593431.db2.gz LKVPRMGQEZOVTF-KBPBESRZSA-N 2 0 338.460 -0.727 20 0 EBADRP CCOC(=O)[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C(=O)OC)NC2)CCC12C[NH2+]C2 ZINC001247009127 812596130 /nfs/dbraw/zinc/59/61/30/812596130.db2.gz OKVBOZCVTCIRHU-IHRRRGAJSA-N 2 0 339.436 -0.245 20 0 EBADRP NC(=O)CNC(=O)C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254055034 812692352 /nfs/dbraw/zinc/69/23/52/812692352.db2.gz HADSYMNZERPCOS-UHFFFAOYSA-N 2 0 334.420 -0.795 20 0 EBADRP Nc1cc[nH+]cc1-c1cn(CCOCCOCCOCC[NH3+])nn1 ZINC001254152297 812697999 /nfs/dbraw/zinc/69/79/99/812697999.db2.gz JMYKXLUYSOVACJ-UHFFFAOYSA-N 2 0 336.396 -0.239 20 0 EBADRP C[C@@H]1O[C@@H](OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H](O)[C@H](O)[C@@H]1O ZINC001256621616 812735776 /nfs/dbraw/zinc/73/57/76/812735776.db2.gz YISDSGNBMWKMKK-BFCWAMPYSA-N 2 0 330.425 -0.955 20 0 EBADRP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001261819749 812991189 /nfs/dbraw/zinc/99/11/89/812991189.db2.gz IPKGAWYVPJZWQW-OLZOCXBDSA-N 2 0 326.441 -0.401 20 0 EBADRP CC[NH+]1CCC(NC(=O)Cn2cc(CC[NH2+]CCOC)nn2)CC1 ZINC001262025449 813028208 /nfs/dbraw/zinc/02/82/08/813028208.db2.gz JYZSQKQCUHIMMC-UHFFFAOYSA-N 2 0 338.456 -0.343 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC001262034578 813029251 /nfs/dbraw/zinc/02/92/51/813029251.db2.gz JAKVEJHLUNKNRQ-KKUMJFAQSA-N 2 0 339.484 -0.676 20 0 EBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001262075033 813034696 /nfs/dbraw/zinc/03/46/96/813034696.db2.gz ILMMASRNFKGWIL-GJZGRUSLSA-N 2 0 339.484 -0.532 20 0 EBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC001262542427 813090764 /nfs/dbraw/zinc/09/07/64/813090764.db2.gz ZYKKNHILOBCAPY-HUUCEWRRSA-N 2 0 339.484 -0.485 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2C[C@H](N3CCOCC3)C2(C)C)CC1 ZINC001262576729 813097096 /nfs/dbraw/zinc/09/70/96/813097096.db2.gz XHKBZDXCBPSOEQ-IKGGRYGDSA-N 2 0 340.512 -0.316 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001263878199 813132788 /nfs/dbraw/zinc/13/27/88/813132788.db2.gz PYEBNDRJFUMGCD-MGPQQGTHSA-N 2 0 346.497 -0.638 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001081553352 813166043 /nfs/dbraw/zinc/16/60/43/813166043.db2.gz IJNYIUCSHJDAOW-CABCVRRESA-N 2 0 342.484 -0.396 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001081553916 813169019 /nfs/dbraw/zinc/16/90/19/813169019.db2.gz PBUYXFBFYRMPNV-CABCVRRESA-N 2 0 342.484 -0.396 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001081556366 813174524 /nfs/dbraw/zinc/17/45/24/813174524.db2.gz NLCRDBMSWFIBGT-UONOGXRCSA-N 2 0 340.468 -0.642 20 0 EBADRP C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001264559834 813181462 /nfs/dbraw/zinc/18/14/62/813181462.db2.gz SJAJDZUDRCHFHI-HZSPNIEDSA-N 2 0 338.452 -0.040 20 0 EBADRP COC[C@@H](O)C[NH+]1CCN(CCCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001265240218 813269149 /nfs/dbraw/zinc/26/91/49/813269149.db2.gz JVUFMTFZKHIJJF-JKSUJKDBSA-N 2 0 342.484 -0.788 20 0 EBADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081635155 813340722 /nfs/dbraw/zinc/34/07/22/813340722.db2.gz QIKBAVUJUGLTNC-CABCVRRESA-N 2 0 342.484 -0.395 20 0 EBADRP CS(=O)(=O)NCC[NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001265635277 813352398 /nfs/dbraw/zinc/35/23/98/813352398.db2.gz TYCHGQHLJPPQDO-AWEZNQCLSA-N 2 0 346.497 -0.540 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001265636552 813353709 /nfs/dbraw/zinc/35/37/09/813353709.db2.gz LHNUWANMJOEABC-ZIAGYGMSSA-N 2 0 338.452 -0.040 20 0 EBADRP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001265819120 813378530 /nfs/dbraw/zinc/37/85/30/813378530.db2.gz ZEEHHRWMNZZJLH-LLVKDONJSA-N 2 0 327.429 -0.637 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001265895844 813407992 /nfs/dbraw/zinc/40/79/92/813407992.db2.gz TWHMLTLWZOJIKE-STQMWFEESA-N 2 0 337.424 -0.787 20 0 EBADRP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C[C@@H]1CCS(=O)(=O)C1 ZINC001265902982 813410444 /nfs/dbraw/zinc/41/04/44/813410444.db2.gz ZSFDURFRFMAXTQ-UONOGXRCSA-N 2 0 331.482 -0.047 20 0 EBADRP C[NH+](C)C1(C(=O)N2CC[C@H](C[NH2+]CCN3CCNC3=O)C2)CCC1 ZINC001265981923 813432648 /nfs/dbraw/zinc/43/26/48/813432648.db2.gz ABYBLUTWONWCRZ-CQSZACIVSA-N 2 0 337.468 -0.066 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081701562 813440251 /nfs/dbraw/zinc/44/02/51/813440251.db2.gz XHFPEFNKYYEMEO-CABCVRRESA-N 2 0 342.484 -0.395 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC001266236978 813486213 /nfs/dbraw/zinc/48/62/13/813486213.db2.gz PCXKOMZJMCYTOL-ZDUSSCGKSA-N 2 0 339.440 -0.539 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081733586 813490165 /nfs/dbraw/zinc/49/01/65/813490165.db2.gz WCVNNPSEMAHJPJ-KGLIPLIRSA-N 2 0 328.457 -0.785 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001081773438 813537459 /nfs/dbraw/zinc/53/74/59/813537459.db2.gz BEPAJEMXCZOQGQ-LSDHHAIUSA-N 2 0 342.484 -0.395 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001266730497 813654028 /nfs/dbraw/zinc/65/40/28/813654028.db2.gz UYSFQSZGRHXYFG-OKILXGFUSA-N 2 0 346.497 -0.400 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001266793621 813671982 /nfs/dbraw/zinc/67/19/82/813671982.db2.gz RGZXFGXIXJJWEJ-UONOGXRCSA-N 2 0 348.513 -0.296 20 0 EBADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCCN1C(=O)CNC1=O ZINC001266926548 813702388 /nfs/dbraw/zinc/70/23/88/813702388.db2.gz BBMUNCLHYMWCOG-NEPJUHHUSA-N 2 0 325.413 -0.883 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001266939841 813705271 /nfs/dbraw/zinc/70/52/71/813705271.db2.gz PHASMGJEIMDKLX-MELADBBJSA-N 2 0 338.452 -0.040 20 0 EBADRP CN(CC[NH2+]CC1CCS(=O)(=O)CC1)C(=O)C12CC[NH+](CC1)C2 ZINC001266988661 813722392 /nfs/dbraw/zinc/72/23/92/813722392.db2.gz NDMSJCBWENGPLE-UHFFFAOYSA-N 2 0 343.493 -0.045 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@H](C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001267055193 813748518 /nfs/dbraw/zinc/74/85/18/813748518.db2.gz HQPKGEKFQOWBCG-CQSZACIVSA-N 2 0 338.452 -0.085 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001267064029 813750070 /nfs/dbraw/zinc/75/00/70/813750070.db2.gz BVIYSJRIZDSNMH-CQSZACIVSA-N 2 0 338.452 -0.085 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)CCN2C(=O)CNC2=O)C1 ZINC001267110672 813761436 /nfs/dbraw/zinc/76/14/36/813761436.db2.gz HAXFLQXDONERMU-ZDUSSCGKSA-N 2 0 339.440 -0.587 20 0 EBADRP CC(=O)NCCOCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001267263683 813810055 /nfs/dbraw/zinc/81/00/55/813810055.db2.gz LKDSUSADRDGMML-HZPDHXFCSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N(C)CC[NH2+]CCN2CCNC2=O)CC[N@@H+]1C ZINC001267418961 813886725 /nfs/dbraw/zinc/88/67/25/813886725.db2.gz OCLJDBWJKORXJF-KBPBESRZSA-N 2 0 325.457 -0.210 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)N(C)CC[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001267450181 813898917 /nfs/dbraw/zinc/89/89/17/813898917.db2.gz NJKUZLUDOIQWNL-AWEZNQCLSA-N 2 0 338.452 -0.040 20 0 EBADRP CC(C)[C@@H](C(=O)N(C)CC[NH2+][C@@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001267474301 813910492 /nfs/dbraw/zinc/91/04/92/813910492.db2.gz PEUZYBNORPGERZ-HIFRSBDPSA-N 2 0 338.452 -0.040 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001082515557 813959936 /nfs/dbraw/zinc/95/99/36/813959936.db2.gz QYUXAJPNOPBEQU-VNQPRFMTSA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082515625 813962288 /nfs/dbraw/zinc/96/22/88/813962288.db2.gz SGFNUWWCVKGTNU-VNQPRFMTSA-N 2 0 349.479 -0.210 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001082921537 814023984 /nfs/dbraw/zinc/02/39/84/814023984.db2.gz SMPAZPLFIPRRFU-RBSFLKMASA-N 2 0 343.493 -0.047 20 0 EBADRP CC(=O)NCCOCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001267914036 814068631 /nfs/dbraw/zinc/06/86/31/814068631.db2.gz LAWPLQDFKBZEKE-CVEARBPZSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]2C[NH2+]CCNS(C)(=O)=O)CCC1 ZINC001267958230 814075666 /nfs/dbraw/zinc/07/56/66/814075666.db2.gz WXBNDSBZQDVMRI-CYBMUJFWSA-N 2 0 346.497 -0.400 20 0 EBADRP CN(CC[N@H+](C)CCN1C(=O)CNC1=O)C(=O)C[NH+]1CCCC1 ZINC001268256257 814161477 /nfs/dbraw/zinc/16/14/77/814161477.db2.gz DHOJOSVJDHIUAE-UHFFFAOYSA-N 2 0 325.413 -0.976 20 0 EBADRP C[C@@H](CC[NH2+]CCNS(C)(=O)=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268393969 814231455 /nfs/dbraw/zinc/23/14/55/814231455.db2.gz KIWFUXOWWDMDAV-STQMWFEESA-N 2 0 334.486 -0.496 20 0 EBADRP C[C@H](CC[NH2+]CCCN1C(=O)CNC1=O)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268425253 814238900 /nfs/dbraw/zinc/23/89/00/814238900.db2.gz ZPUZOMLRJKXGIH-OLZOCXBDSA-N 2 0 339.440 -0.636 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001268539308 814280237 /nfs/dbraw/zinc/28/02/37/814280237.db2.gz RXWKTQHMYJOOBT-IBUXWKBASA-N 2 0 337.424 -0.954 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC/C=C\C[NH2+][C@H]2CCNC2=O)n1 ZINC001268539578 814280274 /nfs/dbraw/zinc/28/02/74/814280274.db2.gz VJUVLGBGDIDGTJ-SCOBNMCVSA-N 2 0 334.424 -0.791 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C/C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268551777 814287558 /nfs/dbraw/zinc/28/75/58/814287558.db2.gz FKMJHCOXICSSBI-GWSUEFFPSA-N 2 0 336.436 -0.072 20 0 EBADRP C[C@@H]([NH2+]C/C=C\CNC(=O)COC1CC[NH+](C)CC1)C(=O)N(C)C ZINC001268606995 814315522 /nfs/dbraw/zinc/31/55/22/814315522.db2.gz RUKWWHCSZOKZLG-GEXIGZQTSA-N 2 0 340.468 -0.164 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001268631055 814331670 /nfs/dbraw/zinc/33/16/70/814331670.db2.gz VTIVWKMYLHPNPL-LLYBFZRZSA-N 2 0 340.468 -0.164 20 0 EBADRP C[C@@H](C[NH2+]CCn1cncn1)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001268692447 814354679 /nfs/dbraw/zinc/35/46/79/814354679.db2.gz HXZBKQOGNFOFPV-AWEZNQCLSA-N 2 0 338.456 -0.269 20 0 EBADRP C[C@@H](C[NH2+]CCN1CCNC1=O)NC(=O)CC1CC[NH+](C)CC1 ZINC001268706898 814358494 /nfs/dbraw/zinc/35/84/94/814358494.db2.gz YQAQYXKTYZARRY-ZDUSSCGKSA-N 2 0 325.457 -0.162 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@@H]2O)CC[N@@H+]1C ZINC001083474873 814469006 /nfs/dbraw/zinc/46/90/06/814469006.db2.gz FASRNIWESNGTKD-HZMVEIRTSA-N 2 0 349.479 -0.146 20 0 EBADRP C[NH+](C)CCN1CC2(CN(C(=O)[C@@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001269173189 814564731 /nfs/dbraw/zinc/56/47/31/814564731.db2.gz RVAPMIXIKZGKNW-CQSZACIVSA-N 2 0 338.452 -0.670 20 0 EBADRP C[C@@H](C(=O)N1CC2(C1)COCC(=O)N2CC[NH+](C)C)[NH+]1CCCC1 ZINC001269248966 814595099 /nfs/dbraw/zinc/59/50/99/814595099.db2.gz VRMZBRQXHOKZKI-AWEZNQCLSA-N 2 0 338.452 -0.528 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@@H]2O)CC1 ZINC001083750313 814754093 /nfs/dbraw/zinc/75/40/93/814754093.db2.gz PKFPDAIPOZBYLV-ZNMIVQPWSA-N 2 0 348.451 -0.732 20 0 EBADRP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](O)C1 ZINC001083783303 815602939 /nfs/dbraw/zinc/60/29/39/815602939.db2.gz KOSHNIPFZXCHAX-XYPHTWIQSA-N 2 0 335.448 -0.054 20 0 EBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]CCNS(C)(=O)=O ZINC001270506286 815798026 /nfs/dbraw/zinc/79/80/26/815798026.db2.gz FBOSUGFALNTXEO-LBPRGKRZSA-N 2 0 334.486 -0.781 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@@H]2O)C1 ZINC001084056934 815801228 /nfs/dbraw/zinc/80/12/28/815801228.db2.gz USLPHWBAKGWWQF-ZNMIVQPWSA-N 2 0 338.452 -0.888 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2C[C@H]3CC[N@H+](CCCO)C[C@H]32)n1 ZINC001084351887 815900842 /nfs/dbraw/zinc/90/08/42/815900842.db2.gz DDVHBCWWUQWGHA-GDBMZVCRSA-N 2 0 335.452 -0.027 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](CCN4CCNC4=O)C[C@H]32)CC[N@@H+]1C ZINC001084355154 815902225 /nfs/dbraw/zinc/90/22/25/815902225.db2.gz INUXFISWLKEXHO-KLHDSHLOSA-N 2 0 349.479 -0.116 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001084450748 815918609 /nfs/dbraw/zinc/91/86/09/815918609.db2.gz XGMUDTDDCLJMBD-HUUCEWRRSA-N 2 0 325.453 -0.130 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001270921019 815932100 /nfs/dbraw/zinc/93/21/00/815932100.db2.gz DHFZHOIWIFQQSP-QWHCGFSZSA-N 2 0 334.486 -0.544 20 0 EBADRP CC(C)[C@H](C(=O)N1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2)[NH+](C)C ZINC001270954762 815939006 /nfs/dbraw/zinc/93/90/06/815939006.db2.gz PXLCUZCCBUSSDA-OAHLLOKOSA-N 2 0 340.468 -0.426 20 0 EBADRP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)[C@H]1C[C@@H]([NH+](C)C)C1)C2 ZINC001270962310 815939741 /nfs/dbraw/zinc/93/97/41/815939741.db2.gz HTJANQPOYRCDSN-OKILXGFUSA-N 2 0 338.452 -0.672 20 0 EBADRP C[C@H](C[NH2+]CCCS(=O)(=O)N(C)C)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001271210602 816036455 /nfs/dbraw/zinc/03/64/55/816036455.db2.gz YMSDMMPNMAQTQF-ZIAGYGMSSA-N 2 0 348.513 -0.344 20 0 EBADRP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)nc1=O ZINC001085422205 816048286 /nfs/dbraw/zinc/04/82/86/816048286.db2.gz KZGOGHWZIKFMRB-JHJVBQTASA-N 2 0 336.440 -0.423 20 0 EBADRP C[NH+](C)CCN1CC2(C1)CCCN(C(=O)C1(O)CC[NH+](C)CC1)C2 ZINC001271803347 816217154 /nfs/dbraw/zinc/21/71/54/816217154.db2.gz CKCAIAZSZDJPGD-UHFFFAOYSA-N 2 0 338.496 -0.071 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)n1 ZINC001086088775 816226500 /nfs/dbraw/zinc/22/65/00/816226500.db2.gz PWVJVMZOCGOARY-MJBXVCDLSA-N 2 0 348.451 -0.569 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001086090470 816226862 /nfs/dbraw/zinc/22/68/62/816226862.db2.gz AVMDDLSSSMXSOA-FVCCEPFGSA-N 2 0 336.440 -0.567 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086122173 816237763 /nfs/dbraw/zinc/23/77/63/816237763.db2.gz ZHJKDOJXBJWYDK-ZNMIVQPWSA-N 2 0 337.468 -0.020 20 0 EBADRP Cn1cnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001086372894 816309420 /nfs/dbraw/zinc/30/94/20/816309420.db2.gz BYRFPQWITHYQHZ-ZQDZILKHSA-N 2 0 348.451 -0.337 20 0 EBADRP O=C(NC[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001086368023 816309839 /nfs/dbraw/zinc/30/98/39/816309839.db2.gz NYDRBOMBCSYOQT-CYUUQNCZSA-N 2 0 348.447 -0.382 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086402610 816321015 /nfs/dbraw/zinc/32/10/15/816321015.db2.gz ZHJKDOJXBJWYDK-RBSFLKMASA-N 2 0 337.468 -0.020 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001086402009 816321190 /nfs/dbraw/zinc/32/11/90/816321190.db2.gz DONHTCRDARQDPI-SYQHCUMBSA-N 2 0 336.436 -0.240 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@H](C)C(N)=O)C2)C1 ZINC001086456852 816344622 /nfs/dbraw/zinc/34/46/22/816344622.db2.gz YRABLHZMGCRGMG-SYQHCUMBSA-N 2 0 326.441 -0.546 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086477887 816350656 /nfs/dbraw/zinc/35/06/56/816350656.db2.gz BOKSFBIYRWGFIJ-KBUPBQIOSA-N 2 0 337.468 -0.306 20 0 EBADRP O=C(NC[C@@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001086534423 816364971 /nfs/dbraw/zinc/36/49/71/816364971.db2.gz GKFBIEMIXSMVRT-JOCQHMNTSA-N 2 0 349.435 -0.882 20 0 EBADRP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H](O)C[N@@H+]1C ZINC001272273374 816380208 /nfs/dbraw/zinc/38/02/08/816380208.db2.gz JYELXHBMFSXEMY-AQBKWJQSSA-N 2 0 341.452 -0.217 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N(CCO)CC[NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC001272307524 816393617 /nfs/dbraw/zinc/39/36/17/816393617.db2.gz RHACURGHJGFOIN-NWDGAFQWSA-N 2 0 341.374 -0.338 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001086784906 816405829 /nfs/dbraw/zinc/40/58/29/816405829.db2.gz ANCOFNGLIIEWJM-MJBXVCDLSA-N 2 0 326.441 -0.545 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2[NH2+]CCO)cn1 ZINC001086982161 816433311 /nfs/dbraw/zinc/43/33/11/816433311.db2.gz WPKWRAOBZZZXRC-LSDHHAIUSA-N 2 0 335.452 -0.219 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2[NH2+]CCO)cn1 ZINC001086994517 816439225 /nfs/dbraw/zinc/43/92/25/816439225.db2.gz GRPXUHKQYMRPCG-JKSUJKDBSA-N 2 0 335.452 -0.362 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2[NH2+]CC(N)=O)cn1 ZINC001086994622 816439251 /nfs/dbraw/zinc/43/92/51/816439251.db2.gz LIOSGAZKMUVTIR-LSDHHAIUSA-N 2 0 348.451 -0.869 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CC[NH+](C)C[C@]2(CCCC(=O)N2)C1 ZINC001272556113 816473104 /nfs/dbraw/zinc/47/31/04/816473104.db2.gz VVRVWEHCZJXTDO-RHSMWYFYSA-N 2 0 337.468 -0.955 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCc2nc(C[NH2+]C[C@H]3CCOC3)cc(=O)[nH]2)C1 ZINC001087261918 816494184 /nfs/dbraw/zinc/49/41/84/816494184.db2.gz GVSKNWJKJMWWKV-OLZOCXBDSA-N 2 0 349.435 -0.124 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001272789926 816523932 /nfs/dbraw/zinc/52/39/32/816523932.db2.gz GDGUZWSRCDSNHD-RWMBFGLXSA-N 2 0 338.456 -0.177 20 0 EBADRP CCNC(=O)CN1C[C@@]2(F)CN(CC3CC[NH2+]CC3)C[C@@]2(F)C1=O ZINC001273030804 816571000 /nfs/dbraw/zinc/57/10/00/816571000.db2.gz OQEWCNQNXSZCPN-JKSUJKDBSA-N 2 0 344.406 -0.304 20 0 EBADRP COC(=O)[C@@H](C)CN1C(=O)COCC12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001273031096 816571180 /nfs/dbraw/zinc/57/11/80/816571180.db2.gz RERUYRXVRDHTTR-ZDUSSCGKSA-N 2 0 339.436 -0.292 20 0 EBADRP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001273070088 816579116 /nfs/dbraw/zinc/57/91/16/816579116.db2.gz QXEINZHOUDPPCA-UYTSQGDYSA-N 2 0 341.452 -0.215 20 0 EBADRP CN(C)CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CC[C@H](O)C3)C[C@H]2CC1 ZINC001273070049 816579383 /nfs/dbraw/zinc/57/93/83/816579383.db2.gz PYJYKLHHMRZECG-BBWFWOEESA-N 2 0 338.496 -0.215 20 0 EBADRP COC(=O)[C@H](C)C[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273416352 816670295 /nfs/dbraw/zinc/67/02/95/816670295.db2.gz ZVOMTZYKEJQPTF-RHSMWYFYSA-N 2 0 341.452 -0.092 20 0 EBADRP CCN(CC[NH2+]CCN(C)S(C)(=O)=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001273752821 816750080 /nfs/dbraw/zinc/75/00/80/816750080.db2.gz LMORIXZPWTZOQN-CYBMUJFWSA-N 2 0 334.486 -0.732 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001089038560 816787229 /nfs/dbraw/zinc/78/72/29/816787229.db2.gz BVOPALQFRDSJNC-UPJWGTAASA-N 2 0 337.424 -0.931 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001274035779 816844746 /nfs/dbraw/zinc/84/47/46/816844746.db2.gz LKLYHYZRZPLKME-CDJBXZAQSA-N 2 0 337.424 -0.860 20 0 EBADRP CC[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)N1CCO[C@H](C)C1)[NH+](C)C ZINC001274124945 816873650 /nfs/dbraw/zinc/87/36/50/816873650.db2.gz LPIDSXMODIOZJM-YOVCOIKASA-N 2 0 340.468 -0.164 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(=O)N1CCOCC1 ZINC001274132671 816877594 /nfs/dbraw/zinc/87/75/94/816877594.db2.gz CURQTOACGIIMAC-NHZBNJEXSA-N 2 0 338.452 -0.409 20 0 EBADRP CC[C@@H](C(=O)NC/C=C/C[NH2+][C@H](C)C(=O)NC(=O)NC)[NH+](C)C ZINC001274371603 816943318 /nfs/dbraw/zinc/94/33/18/816943318.db2.gz XTWDUULIKYZZSJ-LASXONHFSA-N 2 0 327.429 -0.567 20 0 EBADRP CCOC[C@H](O)C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274564422 817008532 /nfs/dbraw/zinc/00/85/32/817008532.db2.gz FITSYXLRZVRKTI-ZBFHGGJFSA-N 2 0 329.441 -0.751 20 0 EBADRP CC[C@@H](C(=O)N1CCC(O)(C[NH2+]CCn2cncn2)CC1)[NH+](C)C ZINC001274572288 817017550 /nfs/dbraw/zinc/01/75/50/817017550.db2.gz KLZRBFPQQOKGKB-AWEZNQCLSA-N 2 0 338.456 -0.439 20 0 EBADRP O=C(N1CCC(O)(C[NH2+]CCn2cncn2)CC1)C12CC[NH+](CC1)C2 ZINC001274573328 817019558 /nfs/dbraw/zinc/01/95/58/817019558.db2.gz VDOUKGVOUCWBGJ-UHFFFAOYSA-N 2 0 348.451 -0.683 20 0 EBADRP COC(=O)[C@H](O)C[N@@H+]1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001274603770 817028895 /nfs/dbraw/zinc/02/88/95/817028895.db2.gz GXMBLKUYKBIBCW-CJNGLKHVSA-N 2 0 327.425 -0.461 20 0 EBADRP COC(=O)[C@@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001274604017 817031063 /nfs/dbraw/zinc/03/10/63/817031063.db2.gz MRIRTAJLRDJPNG-OLZOCXBDSA-N 2 0 327.425 -0.700 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001275054312 817146617 /nfs/dbraw/zinc/14/66/17/817146617.db2.gz NMFNTDSMDTUDAE-AWEZNQCLSA-N 2 0 348.513 -0.154 20 0 EBADRP O=C(N[C@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001090392276 817348449 /nfs/dbraw/zinc/34/84/49/817348449.db2.gz RMEVPDZCPLECNX-LSDHHAIUSA-N 2 0 348.451 -0.542 20 0 EBADRP C[C@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)NC(N)=O ZINC001276075996 817353994 /nfs/dbraw/zinc/35/39/94/817353994.db2.gz HKWUKDRKWNVBJJ-RYUDHWBXSA-N 2 0 327.429 -0.508 20 0 EBADRP O=C(N[C@H]1CC[N@@H+](CCCO)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001090424742 817390183 /nfs/dbraw/zinc/39/01/83/817390183.db2.gz HDKIDRLRCVRNDF-GOEBONIOSA-N 2 0 345.403 -0.185 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001276386485 817395587 /nfs/dbraw/zinc/39/55/87/817395587.db2.gz CGSRSUQUUIHRFQ-GJZGRUSLSA-N 2 0 342.484 -0.131 20 0 EBADRP CN(C)CC[N@@H+]1C[C@H]2C(=O)NC3(CCN(CC[NH+](C)C)CC3)[C@@H]2C1 ZINC001276463119 817409458 /nfs/dbraw/zinc/40/94/58/817409458.db2.gz AVRKFBWJIVSEQZ-HZPDHXFCSA-N 2 0 337.512 -0.378 20 0 EBADRP O=C(c1ccc(=O)[nH]n1)N1C[C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H](C1)O2 ZINC001276709467 817457720 /nfs/dbraw/zinc/45/77/20/817457720.db2.gz JYOZVHHOXHYZEU-OKILXGFUSA-N 2 0 347.419 -0.293 20 0 EBADRP O=C(Cn1cccnc1=O)N1C[C@H]2C[C@@H](C1)[N@H+]2CC1CC[NH2+]CC1 ZINC001276709951 817458431 /nfs/dbraw/zinc/45/84/31/817458431.db2.gz QGYRRQFHQMSQRO-GASCZTMLSA-N 2 0 331.420 -0.472 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCNS(C)(=O)=O)C1 ZINC001277026386 817512052 /nfs/dbraw/zinc/51/20/52/817512052.db2.gz DFFGEZUMCWWZKI-IHRRRGAJSA-N 2 0 346.497 -0.496 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C[C@@H]2O)CC1 ZINC001090537389 817519820 /nfs/dbraw/zinc/51/98/20/817519820.db2.gz KUSBCMYFZGDPEU-CABCVRRESA-N 2 0 336.440 -0.829 20 0 EBADRP C[NH+]1CCC(NC(=O)C2=NO[C@@H]3C[N@H+](C[C@@H]4CCOC4)C[C@H]23)CC1 ZINC001277289959 817544561 /nfs/dbraw/zinc/54/45/61/817544561.db2.gz WPXLBEYSPCDAOC-AEGPPILISA-N 2 0 336.436 -0.080 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CCC([N@H+](C)CC(=O)NC(N)=O)CC1 ZINC001277441689 817570869 /nfs/dbraw/zinc/57/08/69/817570869.db2.gz SGEJXVNTSHQEEU-UHFFFAOYSA-N 2 0 341.456 -0.164 20 0 EBADRP C[N@H+](CCOCCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCCNC1=O ZINC001277476015 817573947 /nfs/dbraw/zinc/57/39/47/817573947.db2.gz KNINIZZMBGSRBR-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP C[N@H+](CCOCCNC(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CCNC1=O ZINC001277501731 817581775 /nfs/dbraw/zinc/58/17/75/817581775.db2.gz VRUWKSYOKUJZJO-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP CN1CCN(C(=O)C[NH+]2CCC3(CN(CC[NH+](C)C)C3)CC2)CC1 ZINC001277631664 817613030 /nfs/dbraw/zinc/61/30/30/817613030.db2.gz KGTJZNLJCOXZBP-UHFFFAOYSA-N 2 0 337.512 -0.280 20 0 EBADRP O=C(NCc1c[nH]cn1)C1=NO[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]12 ZINC001277821961 817640355 /nfs/dbraw/zinc/64/03/55/817640355.db2.gz PFWADZKSQPTVSL-UONOGXRCSA-N 2 0 332.408 -0.288 20 0 EBADRP O=C(N[C@H]1CC[N@@H+](CCO)C[C@@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC001090708436 817681745 /nfs/dbraw/zinc/68/17/45/817681745.db2.gz SFVBXINANGCFBM-HOTGVXAUSA-N 2 0 325.453 -0.348 20 0 EBADRP C[N@@H+]1C[C@H](C(=O)NC[C@H](CO)[NH2+]CCCO)[C@@H](c2ccccc2)C1 ZINC001278156644 817712538 /nfs/dbraw/zinc/71/25/38/817712538.db2.gz YVLSVOQLQSDSMW-ZACQAIPSSA-N 2 0 335.448 -0.219 20 0 EBADRP NC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001091069594 817858715 /nfs/dbraw/zinc/85/87/15/817858715.db2.gz ZMRJQDOQOSYOQN-SSDMNJCBSA-N 2 0 338.452 -0.401 20 0 EBADRP COCCOCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001279529509 817948550 /nfs/dbraw/zinc/94/85/50/817948550.db2.gz MXUXVHGJOVZBTQ-WBVHZDCISA-N 2 0 343.468 -0.456 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]CC(=O)N1CCCCC1 ZINC001279672644 817966226 /nfs/dbraw/zinc/96/62/26/817966226.db2.gz KMYFRXFQRLFICT-OAHLLOKOSA-N 2 0 340.468 -0.496 20 0 EBADRP COc1cncc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001279900958 818003216 /nfs/dbraw/zinc/00/32/16/818003216.db2.gz ASVHHEUMAZYSMO-CYBMUJFWSA-N 2 0 337.424 -0.653 20 0 EBADRP CC[C@H](C(=O)NC1CC(C[NH2+]CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001282066482 818353054 /nfs/dbraw/zinc/35/30/54/818353054.db2.gz LGYHWAGXLSHHMX-WXRRBKDZSA-N 2 0 339.440 -0.637 20 0 EBADRP Cn1nnnc1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001095039430 818552147 /nfs/dbraw/zinc/55/21/47/818552147.db2.gz QJZURAQGIZGBCE-IHRRRGAJSA-N 2 0 345.451 -0.225 20 0 EBADRP C[C@@H](CCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001283174746 818686056 /nfs/dbraw/zinc/68/60/56/818686056.db2.gz ZGCQUNMJAWNHKL-AAEUAGOBSA-N 2 0 339.440 -0.602 20 0 EBADRP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC(=O)NC(N)=O ZINC001283174759 818686095 /nfs/dbraw/zinc/68/60/95/818686095.db2.gz ZHSSWPFTMMFASF-STQMWFEESA-N 2 0 341.456 -0.071 20 0 EBADRP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001095784080 818689668 /nfs/dbraw/zinc/68/96/68/818689668.db2.gz AQJIEGKMYCIYDY-PXZCVYSUSA-N 2 0 335.448 -0.047 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001283278348 818734770 /nfs/dbraw/zinc/73/47/70/818734770.db2.gz LBIBEDWHJAJHEM-RYUDHWBXSA-N 2 0 327.429 -0.732 20 0 EBADRP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCN1C(=O)CNC1=O ZINC001283611695 818879529 /nfs/dbraw/zinc/87/95/29/818879529.db2.gz JHRNIRIZPFPHCI-JHJVBQTASA-N 2 0 339.440 -0.685 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001283862449 819005801 /nfs/dbraw/zinc/00/58/01/819005801.db2.gz IXVHJLGHYXXJOY-UONOGXRCSA-N 2 0 326.441 -0.767 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)[NH+](C)C ZINC001283878878 819015163 /nfs/dbraw/zinc/01/51/63/819015163.db2.gz FYIWFXQEFPPAFT-ZBFHGGJFSA-N 2 0 342.484 -0.132 20 0 EBADRP CC(C)[C@H](C(=O)N[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)[NH+](C)C ZINC001283878875 819015494 /nfs/dbraw/zinc/01/54/94/819015494.db2.gz FYIWFXQEFPPAFT-GDBMZVCRSA-N 2 0 342.484 -0.132 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC([NH+](CCO)CCO)CC1 ZINC001098368138 819153567 /nfs/dbraw/zinc/15/35/67/819153567.db2.gz FULMNQCMQZFJNH-MRXNPFEDSA-N 2 0 325.453 -0.394 20 0 EBADRP C[C@H](O)C[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001098368081 819153703 /nfs/dbraw/zinc/15/37/03/819153703.db2.gz BIDLXURHDMOLCZ-YOEHRIQHSA-N 2 0 339.480 -0.006 20 0 EBADRP CNC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001098399721 819171320 /nfs/dbraw/zinc/17/13/20/819171320.db2.gz SEZWGLPCIZOOQL-INIZCTEOSA-N 2 0 342.484 -0.396 20 0 EBADRP CNC(=O)C[N@H+](CCO)C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001098479227 819208712 /nfs/dbraw/zinc/20/87/12/819208712.db2.gz XSFZLYITHKEJNQ-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP CCNC(=O)C[N@H+](CCO)C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001098506503 819223411 /nfs/dbraw/zinc/22/34/11/819223411.db2.gz YVQNBIFAIFLQCR-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP COC[C@H](O)C[N@H+](CCO)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001098561987 819246439 /nfs/dbraw/zinc/24/64/39/819246439.db2.gz QWQDHWYTFOAGSB-MRXNPFEDSA-N 2 0 343.468 -0.625 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001284674783 819323959 /nfs/dbraw/zinc/32/39/59/819323959.db2.gz HCISIKRFSWRPAG-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H](n2cc(C[NH2+]C[C@@H](C)O)nn2)C1 ZINC001098751535 819353631 /nfs/dbraw/zinc/35/36/31/819353631.db2.gz OENLOQHQFFGBJG-UKRRQHHQSA-N 2 0 338.456 -0.136 20 0 EBADRP C[C@@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001098779507 819364263 /nfs/dbraw/zinc/36/42/63/819364263.db2.gz HPAZMXKLSYHKSU-HIFRSBDPSA-N 2 0 336.440 -0.382 20 0 EBADRP C[C@H]([NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)N(C)C ZINC001284854502 819373937 /nfs/dbraw/zinc/37/39/37/819373937.db2.gz HNGWCFJMEXCUFQ-KBPBESRZSA-N 2 0 328.457 -0.378 20 0 EBADRP CC(C)(C(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@@H]1O)[NH+]1CCCC1 ZINC001099942332 819952914 /nfs/dbraw/zinc/95/29/14/819952914.db2.gz PZFRIKFSUZFIKK-GJZGRUSLSA-N 2 0 343.468 -0.579 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](CCn3cccn3)C[C@@H]2O)CC1 ZINC001099972348 819976331 /nfs/dbraw/zinc/97/63/31/819976331.db2.gz VKLVOWGSPAKPKC-GJZGRUSLSA-N 2 0 335.452 -0.224 20 0 EBADRP COCCOCC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099972139 819976852 /nfs/dbraw/zinc/97/68/52/819976852.db2.gz RXHKURYQASGJSC-CABCVRRESA-N 2 0 343.468 -0.457 20 0 EBADRP Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)cn1 ZINC001099973430 819978497 /nfs/dbraw/zinc/97/84/97/819978497.db2.gz CUPNZIZSTWYQAZ-HOTGVXAUSA-N 2 0 337.468 -0.144 20 0 EBADRP COCCOCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001099979680 819985124 /nfs/dbraw/zinc/98/51/24/819985124.db2.gz ZANQEXGKVZAKGI-HZPDHXFCSA-N 2 0 343.468 -0.457 20 0 EBADRP Cc1noc(CCC[N@H+]2CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C2)n1 ZINC001099985477 819990628 /nfs/dbraw/zinc/99/06/28/819990628.db2.gz CTAYENFIAGHSIL-UONOGXRCSA-N 2 0 339.440 -0.186 20 0 EBADRP C[N@H+](CC(=O)N[C@H]1CC[NH+](CCOCCO)C[C@H]1O)CC(C)(C)C ZINC001100012728 820036478 /nfs/dbraw/zinc/03/64/78/820036478.db2.gz BUDQPJMHRIBTSG-LSDHHAIUSA-N 2 0 345.484 -0.475 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](CCc2ccnn2C)C[C@@H]1O ZINC001100041102 820106927 /nfs/dbraw/zinc/10/69/27/820106927.db2.gz DZUKAHWHTWRMRS-HOTGVXAUSA-N 2 0 337.468 -0.144 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001100042089 820110359 /nfs/dbraw/zinc/11/03/59/820110359.db2.gz SVJKANXWZDZLNZ-CVEARBPZSA-N 2 0 337.468 -0.144 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCc2cnn(C)c2)C[C@H]1O ZINC001100063776 820144769 /nfs/dbraw/zinc/14/47/69/820144769.db2.gz CIBHFHUOXRGYDA-HZPDHXFCSA-N 2 0 337.468 -0.144 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCN2CCCC2=O)C[C@@H]1O ZINC001100080377 820178910 /nfs/dbraw/zinc/17/89/10/820178910.db2.gz ILXJGQGAUGRWEE-GJZGRUSLSA-N 2 0 340.468 -0.498 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCOCCOC)C[C@@H]1O ZINC001100082340 820180229 /nfs/dbraw/zinc/18/02/29/820180229.db2.gz ALCGBQNDRRXVHQ-CABCVRRESA-N 2 0 331.457 -0.457 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCOCCOC)C[C@H]1O ZINC001100082766 820182531 /nfs/dbraw/zinc/18/25/31/820182531.db2.gz HVSNLSAENSVTJP-HZPDHXFCSA-N 2 0 345.484 -0.067 20 0 EBADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100125346 820257159 /nfs/dbraw/zinc/25/71/59/820257159.db2.gz WNLQWVMAEZPDNF-HZPDHXFCSA-N 2 0 343.468 -0.577 20 0 EBADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100125344 820257185 /nfs/dbraw/zinc/25/71/85/820257185.db2.gz WNLQWVMAEZPDNF-CVEARBPZSA-N 2 0 343.468 -0.577 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCc2cnn(C)c2)C[C@H]1O ZINC001100132653 820274416 /nfs/dbraw/zinc/27/44/16/820274416.db2.gz WZHDEXWJPBVFIE-HZPDHXFCSA-N 2 0 337.468 -0.146 20 0 EBADRP CN(CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1)S(C)(=O)=O ZINC001100185812 820307278 /nfs/dbraw/zinc/30/72/78/820307278.db2.gz OUZSNKMQAKOHNS-JXQTWKCFSA-N 2 0 346.497 -0.544 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCC1CC([NH2+]CCS(C)(=O)=O)C1)C1CC1 ZINC001100408151 820406936 /nfs/dbraw/zinc/40/69/36/820406936.db2.gz WQNCTKOAPMGCEO-UBHUBRDASA-N 2 0 331.482 -0.144 20 0 EBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001100605442 820484406 /nfs/dbraw/zinc/48/44/06/820484406.db2.gz CANQUTDUMFSHNP-RUXDESIVSA-N 2 0 326.441 -0.674 20 0 EBADRP C[NH+](C)CCCC(=O)NCC1CC([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001100621201 820489232 /nfs/dbraw/zinc/48/92/32/820489232.db2.gz QYDWPAAARRDMPC-UHFFFAOYSA-N 2 0 338.452 -0.038 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100621364 820490395 /nfs/dbraw/zinc/49/03/95/820490395.db2.gz ZNKLTWFIWRZGNF-HIFPTAJRSA-N 2 0 341.456 -0.343 20 0 EBADRP CCOCCNC(=O)C[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100636888 820496698 /nfs/dbraw/zinc/49/66/98/820496698.db2.gz QCEGIKITKNMFFN-UHFFFAOYSA-N 2 0 328.457 -0.425 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100677095 820507361 /nfs/dbraw/zinc/50/73/61/820507361.db2.gz YKCJCQMUPUHVSX-UNXYVOJBSA-N 2 0 325.413 -0.850 20 0 EBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001100746540 820532529 /nfs/dbraw/zinc/53/25/29/820532529.db2.gz SCIGTIOHLPYYJO-UHFFFAOYSA-N 2 0 336.440 -0.711 20 0 EBADRP CCOCCNC(=O)C[NH2+]C1CC(CNC(=O)C[NH+](CC)CC)C1 ZINC001100769401 820547192 /nfs/dbraw/zinc/54/71/92/820547192.db2.gz ILAYUQVRGOKFGO-UHFFFAOYSA-N 2 0 342.484 -0.035 20 0 EBADRP CCN(CC)C(=O)C[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100871037 820585542 /nfs/dbraw/zinc/58/55/42/820585542.db2.gz YOIZRYYTVRGYLI-UHFFFAOYSA-N 2 0 342.484 -0.083 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+]CC(=O)NC(=O)NCC)C1 ZINC001100901850 820594718 /nfs/dbraw/zinc/59/47/18/820594718.db2.gz RCPBDQUVDFWUSH-UHFFFAOYSA-N 2 0 341.456 -0.342 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+]CCN2CCNC2=O)C1 ZINC001100901900 820594862 /nfs/dbraw/zinc/59/48/62/820594862.db2.gz UALKKKDHPROOSV-UHFFFAOYSA-N 2 0 325.457 -0.162 20 0 EBADRP O=C(C[NH+]1CCCC1)NCC1CC([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001100984540 820632782 /nfs/dbraw/zinc/63/27/82/820632782.db2.gz KZYGASRSIZNIDH-UHFFFAOYSA-N 2 0 337.424 -0.882 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100984422 820633299 /nfs/dbraw/zinc/63/32/99/820633299.db2.gz KCQDNMMXXWDEKU-UHFFFAOYSA-N 2 0 339.440 -0.588 20 0 EBADRP COCCOC[C@H](O)C[NH2+]C1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001101035840 820659930 /nfs/dbraw/zinc/65/99/30/820659930.db2.gz BAASLIBYCFIGAZ-UYSNPLJNSA-N 2 0 345.484 -0.165 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001292947066 820668666 /nfs/dbraw/zinc/66/86/66/820668666.db2.gz NTZDMKIGVPPKQG-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431576 820788439 /nfs/dbraw/zinc/78/84/39/820788439.db2.gz UPNOFGFLBFBXIN-INMHGKMJSA-N 2 0 337.464 -0.130 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431577 820788566 /nfs/dbraw/zinc/78/85/66/820788566.db2.gz UPNOFGFLBFBXIN-VYDXJSESSA-N 2 0 337.464 -0.130 20 0 EBADRP CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432192 820788730 /nfs/dbraw/zinc/78/87/30/820788730.db2.gz GMSHXSHYLNLZJG-VBQJREDUSA-N 2 0 340.468 -0.521 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001293589262 820792510 /nfs/dbraw/zinc/79/25/10/820792510.db2.gz GPHVFUGWZHFCRP-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)[C@@H](C(=O)N1CC[C@@H](NC(=O)COCC[NH+](C)C)C1)[NH+](C)C ZINC001293601910 820795545 /nfs/dbraw/zinc/79/55/45/820795545.db2.gz WKLZBYZDRKPELH-ZBFHGGJFSA-N 2 0 342.484 -0.132 20 0 EBADRP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001101815672 820923639 /nfs/dbraw/zinc/92/36/39/820923639.db2.gz OHWYZLBXOCPNJK-MCIONIFRSA-N 2 0 346.497 -0.686 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001294758142 820990506 /nfs/dbraw/zinc/99/05/06/820990506.db2.gz MKNFOAMHUMLWJM-AWEZNQCLSA-N 2 0 328.457 -0.378 20 0 EBADRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C)[NH+](C)C ZINC001102088343 821022803 /nfs/dbraw/zinc/02/28/03/821022803.db2.gz SSWLAYWCQATVQT-IJLUTSLNSA-N 2 0 327.429 -0.794 20 0 EBADRP COCCOC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320799 821070272 /nfs/dbraw/zinc/07/02/72/821070272.db2.gz TUWQABXVQCLUQJ-BZUAXINKSA-N 2 0 345.484 -0.354 20 0 EBADRP C[C@@H](COCC(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C)[NH+]1CCCC1 ZINC001102384934 821086058 /nfs/dbraw/zinc/08/60/58/821086058.db2.gz JXRNUWFKTOHRFI-QLFBSQMISA-N 2 0 340.468 -0.343 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102473851 821119710 /nfs/dbraw/zinc/11/97/10/821119710.db2.gz TTWMSQVDHPPIKW-VXGBXAGGSA-N 2 0 327.429 -0.793 20 0 EBADRP C[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513722 821134708 /nfs/dbraw/zinc/13/47/08/821134708.db2.gz YTJTXCGXHHDHIT-HUUCEWRRSA-N 2 0 338.456 -0.460 20 0 EBADRP CCN(C)C(=O)C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511431 821134858 /nfs/dbraw/zinc/13/48/58/821134858.db2.gz XBDPEKXVNOXLCG-HUUCEWRRSA-N 2 0 342.484 -0.273 20 0 EBADRP CN(CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)COCC[NH+](C)C ZINC001296140807 821213770 /nfs/dbraw/zinc/21/37/70/821213770.db2.gz PQRHKCIIMSKISI-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP CN(CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)COCC[NH+](C)C ZINC001296140808 821214046 /nfs/dbraw/zinc/21/40/46/821214046.db2.gz PQRHKCIIMSKISI-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001103724445 821344584 /nfs/dbraw/zinc/34/45/84/821344584.db2.gz CMPUIRTXQADAKU-QLFBSQMISA-N 2 0 340.468 -0.486 20 0 EBADRP C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)C3([NH+](C)C)CCC3)C2)nn1 ZINC001105259921 821650989 /nfs/dbraw/zinc/65/09/89/821650989.db2.gz RRHCDOKEMAKDNP-LBPRGKRZSA-N 2 0 336.440 -0.384 20 0 EBADRP CC[C@H](C(=O)N(C)C1CN(C(=O)COCC[NH+](C)C)C1)[NH+](C)C ZINC001299375951 821687187 /nfs/dbraw/zinc/68/71/87/821687187.db2.gz XNBSSUBXTOZCNF-CQSZACIVSA-N 2 0 328.457 -0.426 20 0 EBADRP COCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001316718962 821836612 /nfs/dbraw/zinc/83/66/12/821836612.db2.gz KHRJVZOZIKOOHA-LBPRGKRZSA-N 2 0 337.424 -0.124 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)[C@@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001316823606 821868172 /nfs/dbraw/zinc/86/81/72/821868172.db2.gz GIUYMPHQUGRMKE-BFHYXJOUSA-N 2 0 338.452 -0.040 20 0 EBADRP CNC(=O)NC(=O)C[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001316824658 821870201 /nfs/dbraw/zinc/87/02/01/821870201.db2.gz KRKNDFFLMHEMPO-CYBMUJFWSA-N 2 0 341.456 -0.247 20 0 EBADRP C[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CC(=O)NC(N)=O ZINC001316853366 821889754 /nfs/dbraw/zinc/88/97/54/821889754.db2.gz GNJMSDRWKUTSLC-STQMWFEESA-N 2 0 339.440 -0.364 20 0 EBADRP CC(=O)NCCOCC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001316992605 821965476 /nfs/dbraw/zinc/96/54/76/821965476.db2.gz RUNNBEATFWCFCM-HZPDHXFCSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(=O)NCCOCC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001316992601 821965826 /nfs/dbraw/zinc/96/58/26/821965826.db2.gz RUNNBEATFWCFCM-CVEARBPZSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001317157775 822023481 /nfs/dbraw/zinc/02/34/81/822023481.db2.gz MDBZKBPZRCKBCB-CQSZACIVSA-N 2 0 325.457 -0.209 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317240316 822044143 /nfs/dbraw/zinc/04/41/43/822044143.db2.gz FUDGBOVPSBPYFC-JHJVBQTASA-N 2 0 334.486 -0.640 20 0 EBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCN1C(=O)CNC1=O ZINC001317263307 822052814 /nfs/dbraw/zinc/05/28/14/822052814.db2.gz GBXRVGKOFGZPNA-AGIUHOORSA-N 2 0 339.440 -0.637 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001106878252 822346511 /nfs/dbraw/zinc/34/65/11/822346511.db2.gz JIMKUFIRIGOKMT-KFWWJZLASA-N 2 0 340.468 -0.473 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]Cc1ncnn1C ZINC001106878705 822346658 /nfs/dbraw/zinc/34/66/58/822346658.db2.gz YHEDUZOGDKCAOC-ZIAGYGMSSA-N 2 0 338.456 -0.423 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106880277 822346733 /nfs/dbraw/zinc/34/67/33/822346733.db2.gz GVMBFJGYHYSXFQ-MGPQQGTHSA-N 2 0 328.457 -0.617 20 0 EBADRP CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)C(N)=O ZINC001106880384 822347507 /nfs/dbraw/zinc/34/75/07/822347507.db2.gz HLWLULIXDAFMPL-MGPQQGTHSA-N 2 0 328.457 -0.487 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106910937 822352963 /nfs/dbraw/zinc/35/29/63/822352963.db2.gz WGAWXTVFJNPVGY-VXGBXAGGSA-N 2 0 327.429 -0.793 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001128532940 828471401 /nfs/dbraw/zinc/47/14/01/828471401.db2.gz BROONBXBHANCEK-UONOGXRCSA-N 2 0 346.447 -0.645 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCCOCC ZINC001128774845 828524601 /nfs/dbraw/zinc/52/46/01/828524601.db2.gz WNKLIKNUKGJXHG-CQSZACIVSA-N 2 0 328.457 -0.281 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001128773549 828524879 /nfs/dbraw/zinc/52/48/79/828524879.db2.gz BDKSAGRBZFSIGW-ZDUSSCGKSA-N 2 0 339.440 -0.445 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001128778754 828525497 /nfs/dbraw/zinc/52/54/97/828525497.db2.gz LNWHZQRERWHZKI-AWEZNQCLSA-N 2 0 346.497 -0.398 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NC(N)=O)CC2 ZINC001107530832 823876192 /nfs/dbraw/zinc/87/61/92/823876192.db2.gz OHVLPEDQJFVNDX-MLGOLLRUSA-N 2 0 339.440 -0.506 20 0 EBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001129327820 828597894 /nfs/dbraw/zinc/59/78/94/828597894.db2.gz JQNIOKLYKBFSHT-ZDUSSCGKSA-N 2 0 334.486 -0.781 20 0 EBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001129327017 828598237 /nfs/dbraw/zinc/59/82/37/828598237.db2.gz DJLSINOCUYKXSM-CQSZACIVSA-N 2 0 348.513 -0.439 20 0 EBADRP COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129356051 828603588 /nfs/dbraw/zinc/60/35/88/828603588.db2.gz AWCPCHPDEZOLQQ-KBPBESRZSA-N 2 0 331.457 -0.411 20 0 EBADRP CC[C@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)C(N)=O ZINC001129364333 828605581 /nfs/dbraw/zinc/60/55/81/828605581.db2.gz SMNSFQHFFSFSKT-KBPBESRZSA-N 2 0 326.441 -0.401 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001129423537 828615627 /nfs/dbraw/zinc/61/56/27/828615627.db2.gz URPHCKPKBCTBJB-NEPJUHHUSA-N 2 0 327.429 -0.462 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001129423935 828617754 /nfs/dbraw/zinc/61/77/54/828617754.db2.gz YKHVYXSXIRPQJC-JKSUJKDBSA-N 2 0 345.484 -0.021 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129436767 828618364 /nfs/dbraw/zinc/61/83/64/828618364.db2.gz SHHRMGHKSSXLJC-ZDUSSCGKSA-N 2 0 334.486 -0.638 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129435811 828619341 /nfs/dbraw/zinc/61/93/41/828619341.db2.gz JHUOHUKJZSFBQA-PWSUYJOCSA-N 2 0 327.429 -0.733 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129444465 828620607 /nfs/dbraw/zinc/62/06/07/828620607.db2.gz SXIPEGAHMJSECH-CQSZACIVSA-N 2 0 341.456 -0.486 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 ZINC001129444848 828620632 /nfs/dbraw/zinc/62/06/32/828620632.db2.gz ZBHFSYMACYYTCF-OCCSQVGLSA-N 2 0 346.497 -0.686 20 0 EBADRP COCCC[N@@H+]1CCO[C@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108342275 824229519 /nfs/dbraw/zinc/22/95/19/824229519.db2.gz DBHUERAQAQOWBF-MRXNPFEDSA-N 2 0 331.457 -0.192 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCNC(=O)C[N@H+](C)C2CCC2)n(C)n1 ZINC001129535483 828631663 /nfs/dbraw/zinc/63/16/63/828631663.db2.gz UMJATRVNHDBNIX-UHFFFAOYSA-N 2 0 336.440 -0.143 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](C[C@H]3CCOC3)C2)C1 ZINC001108570256 824380381 /nfs/dbraw/zinc/38/03/81/824380381.db2.gz XVANCIZOKZVVGH-ZIAGYGMSSA-N 2 0 338.452 -0.624 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1CC(=O)N(C2C[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001108570253 824380560 /nfs/dbraw/zinc/38/05/60/824380560.db2.gz XVANCIZOKZVVGH-KBPBESRZSA-N 2 0 338.452 -0.624 20 0 EBADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129684198 828655995 /nfs/dbraw/zinc/65/59/95/828655995.db2.gz FXVBEQZIFSOZPY-ILXRZTDVSA-N 2 0 336.440 -0.250 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NC(N)=O)C1 ZINC001109719136 824589013 /nfs/dbraw/zinc/58/90/13/824589013.db2.gz WGYKXBUIXPTWMG-NDBYEHHHSA-N 2 0 337.424 -0.755 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001109977769 824638066 /nfs/dbraw/zinc/63/80/66/824638066.db2.gz YQZMEIFREAACFH-ILXRZTDVSA-N 2 0 329.441 -0.705 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001129856571 828682326 /nfs/dbraw/zinc/68/23/26/828682326.db2.gz UMCMTDQDLWSQRX-HUUCEWRRSA-N 2 0 340.468 -0.138 20 0 EBADRP COCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@@H]1n1ccnn1 ZINC001129846080 828680650 /nfs/dbraw/zinc/68/06/50/828680650.db2.gz WVUNLUYWRORQNJ-XHSDSOJGSA-N 2 0 348.451 -0.392 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001129841945 828680695 /nfs/dbraw/zinc/68/06/95/828680695.db2.gz RERPXECAIQQZPU-HUUCEWRRSA-N 2 0 340.468 -0.281 20 0 EBADRP C[N@H+](CC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)C1CCC1 ZINC001129894913 828689800 /nfs/dbraw/zinc/68/98/00/828689800.db2.gz XUQYTLDRNATBON-CABCVRRESA-N 2 0 336.440 -0.514 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129856115 828682514 /nfs/dbraw/zinc/68/25/14/828682514.db2.gz NXOBPBQVKKPPNY-CQSZACIVSA-N 2 0 328.457 -0.281 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129910402 828692342 /nfs/dbraw/zinc/69/23/42/828692342.db2.gz RKPQJVMIZPNUPS-ILXRZTDVSA-N 2 0 336.440 -0.514 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001179585407 832990839 /nfs/dbraw/zinc/99/08/39/832990839.db2.gz GWDYJTPWZXFYHP-ZDUSSCGKSA-N 2 0 341.456 -0.211 20 0 EBADRP COCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086289 828730684 /nfs/dbraw/zinc/73/06/84/828730684.db2.gz UIUDUFXSAREPIW-ZNMIVQPWSA-N 2 0 336.440 -0.392 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130097044 828732215 /nfs/dbraw/zinc/73/22/15/828732215.db2.gz ZKWXDECPPOFAIL-ZNMIVQPWSA-N 2 0 338.456 -0.268 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130187601 828750412 /nfs/dbraw/zinc/75/04/12/828750412.db2.gz ZITCIACFTPVQJE-GJZGRUSLSA-N 2 0 340.468 -0.138 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130187603 828750528 /nfs/dbraw/zinc/75/05/28/828750528.db2.gz ZITCIACFTPVQJE-LSDHHAIUSA-N 2 0 340.468 -0.138 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130298162 828777039 /nfs/dbraw/zinc/77/70/39/828777039.db2.gz XHUVCMFITQVZEP-NWDGAFQWSA-N 2 0 327.429 -0.589 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001130303383 828777137 /nfs/dbraw/zinc/77/71/37/828777137.db2.gz AXGBLXPSKGGSOT-GFCCVEGCSA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)NC(=O)NC1CC1 ZINC001130305569 828778255 /nfs/dbraw/zinc/77/82/55/828778255.db2.gz FIGQBLWZAMSNQP-YPMHNXCESA-N 2 0 339.440 -0.447 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+](C)C)C2 ZINC001112523389 825453451 /nfs/dbraw/zinc/45/34/51/825453451.db2.gz QBCRVIGKBQTTBB-BBRMVZONSA-N 2 0 335.456 -0.120 20 0 EBADRP C[NH+](C)CCC(=O)NCc1c[nH]nc1[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001130414990 828821397 /nfs/dbraw/zinc/82/13/97/828821397.db2.gz BJBKZUZIOSQWKW-GXTWGEPZSA-N 2 0 348.451 -0.345 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001130427346 828832467 /nfs/dbraw/zinc/83/24/67/828832467.db2.gz MITQZVMAUFQSBW-CYBMUJFWSA-N 2 0 328.457 -0.425 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)[C@@H]1C ZINC001179743956 833006449 /nfs/dbraw/zinc/00/64/49/833006449.db2.gz AGOCLKABYFDSDO-AVGNSLFASA-N 2 0 341.456 -0.249 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC001179800042 833011252 /nfs/dbraw/zinc/01/12/52/833011252.db2.gz YELIILSTRXHZJN-HOCLYGCPSA-N 2 0 343.468 -0.315 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]21)C1CC1 ZINC001114410606 826237036 /nfs/dbraw/zinc/23/70/36/826237036.db2.gz WOGDBOPMJFVFMY-FXUDXRNXSA-N 2 0 334.464 -0.101 20 0 EBADRP CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)COCC[NH+](C)C)[C@H]2C)C1=O ZINC001179934371 833028219 /nfs/dbraw/zinc/02/82/19/833028219.db2.gz ZZHZQEPNDJTHJQ-KKUMJFAQSA-N 2 0 340.468 -0.236 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)[C@@H]1C ZINC001179982833 833031621 /nfs/dbraw/zinc/03/16/21/833031621.db2.gz DUMCSTLIEKCEJQ-AVGNSLFASA-N 2 0 341.456 -0.249 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1C ZINC001179982698 833032089 /nfs/dbraw/zinc/03/20/89/833032089.db2.gz DAROVZLBYIRXPV-STQMWFEESA-N 2 0 334.486 -0.544 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001114732665 826326913 /nfs/dbraw/zinc/32/69/13/826326913.db2.gz LTOYKNQYZBGWHY-RWHKXBQASA-N 2 0 325.453 -0.230 20 0 EBADRP CN1CCC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001114745904 826331579 /nfs/dbraw/zinc/33/15/79/826331579.db2.gz IGCWTHALMNWRTJ-BARDWOONSA-N 2 0 334.464 -0.005 20 0 EBADRP CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001114746304 826331670 /nfs/dbraw/zinc/33/16/70/826331670.db2.gz PTDGIJSXULNMGC-BARDWOONSA-N 2 0 334.464 -0.005 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CN(C[C@@H]3CCS(=O)(=O)C3)C[C@H]21 ZINC001114777891 826340472 /nfs/dbraw/zinc/34/04/72/826340472.db2.gz ANMSLGLYJQXUPC-RMRHIDDWSA-N 2 0 329.466 -0.581 20 0 EBADRP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCNC(C)=O)C[C@H]21)[NH+](C)C ZINC001114853540 826356302 /nfs/dbraw/zinc/35/63/02/826356302.db2.gz DZQCTPCCMUZVGB-XUWVNRHRSA-N 2 0 340.468 -0.474 20 0 EBADRP C[NH+]1CCC(CC(=O)N[C@@H]2[C@H]3C[N@H+](CCOCCO)C[C@H]32)CC1 ZINC001114925778 826373554 /nfs/dbraw/zinc/37/35/54/826373554.db2.gz ZNEMRBDYBHEXPW-QLPKVWCKSA-N 2 0 325.453 -0.226 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCN(C)S(C)(=O)=O)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001180124631 833045667 /nfs/dbraw/zinc/04/56/67/833045667.db2.gz LBXVACFHKBATRF-IHRRRGAJSA-N 2 0 346.497 -0.592 20 0 EBADRP CC(C)NC(=O)NCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115123267 826427497 /nfs/dbraw/zinc/42/74/97/826427497.db2.gz MQJYARRTHLMWQO-FICVDOATSA-N 2 0 349.479 -0.164 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]21 ZINC001115126625 826428607 /nfs/dbraw/zinc/42/86/07/826428607.db2.gz QXPKDZHSSSTSIN-WVZRYYJFSA-N 2 0 348.451 -0.610 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](CCOCC(F)F)C[C@H]21 ZINC001115126605 826428722 /nfs/dbraw/zinc/42/87/22/826428722.db2.gz QOKXKNOJMCGFOK-JYAVWHMHSA-N 2 0 335.395 -0.107 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001115244745 826470343 /nfs/dbraw/zinc/47/03/43/826470343.db2.gz DQXRGXGZPFHCDP-CAOSSQGBSA-N 2 0 348.451 -0.707 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001115244624 826470499 /nfs/dbraw/zinc/47/04/99/826470499.db2.gz BLXPXUDQMIXQCR-NCOADZHNSA-N 2 0 347.463 -0.102 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001180226885 833060049 /nfs/dbraw/zinc/06/00/49/833060049.db2.gz RQZIIKTVDMAMLY-AVGNSLFASA-N 2 0 341.456 -0.250 20 0 EBADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001115297535 826500213 /nfs/dbraw/zinc/50/02/13/826500213.db2.gz GJWUQHPMCIDVFO-QLPKVWCKSA-N 2 0 349.479 -0.066 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCCCC1 ZINC001115298751 826500814 /nfs/dbraw/zinc/50/08/14/826500814.db2.gz WZXAWFYBLFJVFT-LJIGWXMPSA-N 2 0 325.453 -0.084 20 0 EBADRP Cn1[nH]c(C[NH2+]CCCCCCNC(=O)[C@H]2CC[N@H+](C)C2)nc1=O ZINC001180259905 833065236 /nfs/dbraw/zinc/06/52/36/833065236.db2.gz OKDKNEGOIFBGQI-ZDUSSCGKSA-N 2 0 338.456 -0.174 20 0 EBADRP C[NH+](C)CCC(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCCCC1 ZINC001115708099 826573026 /nfs/dbraw/zinc/57/30/26/826573026.db2.gz NYAQSFHPTGUOPC-UHFFFAOYSA-N 2 0 327.429 -0.458 20 0 EBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC001117359148 826729213 /nfs/dbraw/zinc/72/92/13/826729213.db2.gz GWQHFKRUTIOLNA-ILXRZTDVSA-N 2 0 339.484 -0.853 20 0 EBADRP COC(C)(C)CN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001117858343 826812470 /nfs/dbraw/zinc/81/24/70/826812470.db2.gz JTJVFEGGUOALFL-UHFFFAOYSA-N 2 0 330.473 -0.178 20 0 EBADRP C[NH+]1CCN(c2ccccc2CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC001118040568 826842911 /nfs/dbraw/zinc/84/29/11/826842911.db2.gz MEGPPPCMJHZVML-HNNXBMFYSA-N 2 0 345.447 -0.386 20 0 EBADRP COCC[N@H+](C)C[C@H](O)CN1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC001118367984 826919150 /nfs/dbraw/zinc/91/91/50/826919150.db2.gz FRHXYNULAIRTTR-IRXDYDNUSA-N 2 0 328.501 -0.363 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@]2(COC)CC[NH2+]C2)CC1 ZINC001118506604 826943487 /nfs/dbraw/zinc/94/34/87/826943487.db2.gz POYNVIZAGPNCGY-QGZVFWFLSA-N 2 0 340.468 -0.281 20 0 EBADRP C[NH+]1CCC2(CC1)NC(=O)N(CN1CCC3(CCNC3=O)CC1)C2=O ZINC001119076900 827058294 /nfs/dbraw/zinc/05/82/94/827058294.db2.gz XLMNARTVUBUTJM-UHFFFAOYSA-N 2 0 349.435 -0.438 20 0 EBADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC001119427055 827107653 /nfs/dbraw/zinc/10/76/53/827107653.db2.gz DBPVNSZXYGTKBR-SHTZXODSSA-N 2 0 338.452 -0.589 20 0 EBADRP COCCOC[C@H](O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001119618190 827125666 /nfs/dbraw/zinc/12/56/66/827125666.db2.gz BGFVJWCBORWCBF-KFWWJZLASA-N 2 0 343.424 -0.733 20 0 EBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)C[C@H]2C1 ZINC001120371896 827199866 /nfs/dbraw/zinc/19/98/66/827199866.db2.gz UFNSNBFHXGOBQT-KBUPBQIOSA-N 2 0 338.452 -0.639 20 0 EBADRP CC(C)[C@@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)N1CC[NH+](C)CC1 ZINC001120515048 827237762 /nfs/dbraw/zinc/23/77/62/827237762.db2.gz NUZYRONIYUXOKU-RBSFLKMASA-N 2 0 339.484 -0.772 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2nncs2)C1 ZINC001181652932 833170568 /nfs/dbraw/zinc/17/05/68/833170568.db2.gz RXLIOZUBZMGVEN-GHMZBOCLSA-N 2 0 338.437 -0.239 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001181653288 833170937 /nfs/dbraw/zinc/17/09/37/833170937.db2.gz WPQCIINTONAIAB-ILXRZTDVSA-N 2 0 338.452 -0.746 20 0 EBADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001122005620 827501504 /nfs/dbraw/zinc/50/15/04/827501504.db2.gz PTPMBQROZCPUPF-UONOGXRCSA-N 2 0 328.457 -0.343 20 0 EBADRP COCCC1(NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC[NH2+]CC1 ZINC001122114921 827523484 /nfs/dbraw/zinc/52/34/84/827523484.db2.gz QDCOATKMHIGTKV-ZDUSSCGKSA-N 2 0 326.441 -0.541 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC1CC2(C1)CC([NH2+]CCO)C2 ZINC001122193237 827542666 /nfs/dbraw/zinc/54/26/66/827542666.db2.gz WSWICAYKVNHOKX-DPGVGJJJSA-N 2 0 325.453 -0.036 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@]1(C)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001182480805 833235883 /nfs/dbraw/zinc/23/58/83/833235883.db2.gz WQZHPAIJSNGKSZ-IIYDPXPESA-N 2 0 338.452 -0.183 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@]1(C)C[NH2+]CCNS(C)(=O)=O ZINC001182486414 833236979 /nfs/dbraw/zinc/23/69/79/833236979.db2.gz LXVGOWSNFZGBMS-UKRRQHHQSA-N 2 0 348.513 -0.439 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)NC(=O)NC1CC1 ZINC001124866465 827969248 /nfs/dbraw/zinc/96/92/48/827969248.db2.gz DFLFYRFSPWEEAU-CMPLNLGQSA-N 2 0 325.413 -0.837 20 0 EBADRP Cn1ccc(N2CCC[C@H]([NH2+]CCNC(=O)[C@H]3CCC[N@@H+]3C)C2=O)n1 ZINC001124867693 827970157 /nfs/dbraw/zinc/97/01/57/827970157.db2.gz XZBOXTXNIVPLSI-UONOGXRCSA-N 2 0 348.451 -0.285 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001183082235 833280046 /nfs/dbraw/zinc/28/00/46/833280046.db2.gz PLHVGBHOLXAWLD-MLGOLLRUSA-N 2 0 341.456 -0.403 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC001124878811 827972514 /nfs/dbraw/zinc/97/25/14/827972514.db2.gz OUCFVMJJOKDTCB-LLVKDONJSA-N 2 0 327.429 -0.589 20 0 EBADRP CNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001183164881 833282417 /nfs/dbraw/zinc/28/24/17/833282417.db2.gz CVMJMWGZYJDABM-CZUORRHYSA-N 2 0 328.457 -0.615 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001183240467 833284647 /nfs/dbraw/zinc/28/46/47/833284647.db2.gz GXABOMGBTVPTGH-NWDGAFQWSA-N 2 0 339.440 -0.495 20 0 EBADRP CN(CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1)S(C)(=O)=O ZINC001183267250 833285226 /nfs/dbraw/zinc/28/52/26/833285226.db2.gz KOHGLRHTKRFDMJ-ZIAGYGMSSA-N 2 0 346.497 -0.592 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001127065600 828247462 /nfs/dbraw/zinc/24/74/62/828247462.db2.gz BVEFYJNJZXIHDT-KBPBESRZSA-N 2 0 331.482 0.000 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001127081744 828247876 /nfs/dbraw/zinc/24/78/76/828247876.db2.gz AKGKMKFGIMSCQX-ZDUSSCGKSA-N 2 0 339.440 -0.493 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001127081780 828248268 /nfs/dbraw/zinc/24/82/68/828248268.db2.gz BIWRMSOBIIMYHA-LSDHHAIUSA-N 2 0 340.468 -0.282 20 0 EBADRP CN(CC[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1)S(C)(=O)=O ZINC001127257464 828269290 /nfs/dbraw/zinc/26/92/90/828269290.db2.gz YLBLPEUMVZZSRK-KGLIPLIRSA-N 2 0 346.497 -0.542 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127473629 828297221 /nfs/dbraw/zinc/29/72/21/828297221.db2.gz AWGZPHVLMDKBOE-ZDUSSCGKSA-N 2 0 339.440 -0.730 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475804 828298086 /nfs/dbraw/zinc/29/80/86/828298086.db2.gz ZSSATYXMQJFMLA-AWEZNQCLSA-N 2 0 326.441 -0.813 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C(N)=O ZINC001127571154 828304057 /nfs/dbraw/zinc/30/40/57/828304057.db2.gz MNPQKRRHYBUQIU-BNOWGMLFSA-N 2 0 326.441 -0.687 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]C[C@H](O)COC2CCOCC2)CC[N@@H+]1C ZINC001127643766 828309889 /nfs/dbraw/zinc/30/98/89/828309889.db2.gz KSYAQXORDHDLJB-IJEWVQPXSA-N 2 0 343.468 -0.411 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n(C)n1 ZINC001127659585 828313001 /nfs/dbraw/zinc/31/30/01/828313001.db2.gz GZVUKOVZHIDSSX-CHWSQXEVSA-N 2 0 336.440 -0.287 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC)CC[N@@H+]1C ZINC001127706166 828316915 /nfs/dbraw/zinc/31/69/15/828316915.db2.gz JJAKKDQSILUNCJ-GRYCIOLGSA-N 2 0 327.429 -0.733 20 0 EBADRP CCC(C)(C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779245 828328728 /nfs/dbraw/zinc/32/87/28/828328728.db2.gz JXTVFYBMPDKGPE-UONOGXRCSA-N 2 0 340.468 -0.140 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)NC1CCCC1 ZINC001127778853 828328919 /nfs/dbraw/zinc/32/89/19/828328919.db2.gz GYFOAGRUXVURMZ-HUUCEWRRSA-N 2 0 338.452 -0.386 20 0 EBADRP Cc1nnsc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127785195 828330220 /nfs/dbraw/zinc/33/02/20/828330220.db2.gz GLEYTAKMNUVPIQ-NWDGAFQWSA-N 2 0 325.438 -0.084 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001130617714 828901556 /nfs/dbraw/zinc/90/15/56/828901556.db2.gz HSANSFDRFQXYGY-UHFFFAOYSA-N 2 0 341.456 -0.199 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(N)=O)C1 ZINC001130698410 828916473 /nfs/dbraw/zinc/91/64/73/828916473.db2.gz LROMIFBQNBYLBX-GXTWGEPZSA-N 2 0 336.440 -0.869 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001130708590 828920135 /nfs/dbraw/zinc/92/01/35/828920135.db2.gz ABPVMRLENPRLLS-AWEZNQCLSA-N 2 0 338.452 -0.038 20 0 EBADRP O=C(NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C12CCC[NH+]1CCC2 ZINC001130808583 828943988 /nfs/dbraw/zinc/94/39/88/828943988.db2.gz HFBYOVRXWUIHGZ-ZDUSSCGKSA-N 2 0 329.466 -0.245 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130806043 828944167 /nfs/dbraw/zinc/94/41/67/828944167.db2.gz ZSRAZRLZDXYSHJ-UHFFFAOYSA-N 2 0 346.497 -0.350 20 0 EBADRP CO[C@H]1C[C@@H](Cn2ccc(NC(=O)CC[NH+](C)C)n2)[N@H+](CCO)C1 ZINC001130873679 828985087 /nfs/dbraw/zinc/98/50/87/828985087.db2.gz YGTJWNFMSXAHCE-KBPBESRZSA-N 2 0 339.440 -0.145 20 0 EBADRP O=C(C[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1)NC[C@H]1CCOC1 ZINC001130874603 828985256 /nfs/dbraw/zinc/98/52/56/828985256.db2.gz GNVPVOUFHDRKNL-CYBMUJFWSA-N 2 0 345.403 -0.194 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001185089772 833346612 /nfs/dbraw/zinc/34/66/12/833346612.db2.gz CUHCORFHKWZWAX-QWHCGFSZSA-N 2 0 339.440 -0.506 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC1 ZINC001185212805 833350275 /nfs/dbraw/zinc/35/02/75/833350275.db2.gz DKQZFCHDTGYSHU-CYBMUJFWSA-N 2 0 336.436 -0.332 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001185249522 833351560 /nfs/dbraw/zinc/35/15/60/833351560.db2.gz ZGNYJNCHCGRCEU-CABCVRRESA-N 2 0 340.468 -0.498 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185249250 833351619 /nfs/dbraw/zinc/35/16/19/833351619.db2.gz SRHXREQVOLJVFF-CQSZACIVSA-N 2 0 348.513 -0.152 20 0 EBADRP O=C(NCC[NH2+]CCn1cncn1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001131196601 829069900 /nfs/dbraw/zinc/06/99/00/829069900.db2.gz NWZVNKCKCRQKTR-UHFFFAOYSA-N 2 0 326.364 -0.122 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(=O)NC(N)=O ZINC001185385187 833357093 /nfs/dbraw/zinc/35/70/93/833357093.db2.gz LIFMKRQBSWACSR-ZYHUDNBSSA-N 2 0 325.413 -0.898 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001185408401 833357929 /nfs/dbraw/zinc/35/79/29/833357929.db2.gz RTDREPNIHSXQST-ZIAGYGMSSA-N 2 0 331.482 -0.047 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)Nc1ncccn1 ZINC001185408143 833357935 /nfs/dbraw/zinc/35/79/35/833357935.db2.gz MFJGYEBTCSLJOY-CHWSQXEVSA-N 2 0 334.424 -0.054 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)CC[C@@H]1C[NH2+]CCOCCO ZINC001185504799 833360544 /nfs/dbraw/zinc/36/05/44/833360544.db2.gz WVJLYLWBGAZNRB-HZPDHXFCSA-N 2 0 345.484 -0.352 20 0 EBADRP O=C(C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1)N1CCOCC1 ZINC001131370290 829116507 /nfs/dbraw/zinc/11/65/07/829116507.db2.gz HGPQSTWOAKQPCL-UHFFFAOYSA-N 2 0 331.376 -0.488 20 0 EBADRP O=C(C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1)NC[C@H]1CCOC1 ZINC001131374471 829118812 /nfs/dbraw/zinc/11/88/12/829118812.db2.gz BMGJHLQGGNKZHH-CYBMUJFWSA-N 2 0 345.403 -0.194 20 0 EBADRP CCn1nncc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520373 829151744 /nfs/dbraw/zinc/15/17/44/829151744.db2.gz XIZFJUMLYGLIOG-CXOJTPOUSA-N 2 0 334.424 -0.633 20 0 EBADRP Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)n1 ZINC001131520110 829152587 /nfs/dbraw/zinc/15/25/87/829152587.db2.gz UREGTFTWZPNBCW-CKDBGZEDSA-N 2 0 348.451 -0.536 20 0 EBADRP C[C@@H](O)C[NH2+]Cc1cn([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001185999453 833382163 /nfs/dbraw/zinc/38/21/63/833382163.db2.gz IIGWUGHLBLYEQI-HIFRSBDPSA-N 2 0 338.456 -0.136 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001186083277 833388552 /nfs/dbraw/zinc/38/85/52/833388552.db2.gz YFNFMPJAYAARCF-CYBMUJFWSA-N 2 0 339.440 -0.636 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC12CCOCC2 ZINC001186481393 833403138 /nfs/dbraw/zinc/40/31/38/833403138.db2.gz OJPGZPCXUWKIED-AWEZNQCLSA-N 2 0 340.468 -0.471 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COCCOC)C1 ZINC001186487860 833403508 /nfs/dbraw/zinc/40/35/08/833403508.db2.gz MSUVJBKTYXIQLV-HUUCEWRRSA-N 2 0 331.457 -0.457 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001186497001 833403554 /nfs/dbraw/zinc/40/35/54/833403554.db2.gz WDOGCDKLURNKSG-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132283994 829405601 /nfs/dbraw/zinc/40/56/01/829405601.db2.gz RCLRGVQPEUQLIH-HUUCEWRRSA-N 2 0 345.484 -0.021 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132284179 829407124 /nfs/dbraw/zinc/40/71/24/829407124.db2.gz ZZIBAWOPOXNSAC-UHFFFAOYSA-N 2 0 328.457 -0.281 20 0 EBADRP CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211093647 837387360 /nfs/dbraw/zinc/38/73/60/837387360.db2.gz YGGUDZJXMGZYEU-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP CCCC[C@H]([NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C(N)=O ZINC001132848925 829535027 /nfs/dbraw/zinc/53/50/27/829535027.db2.gz WNELKSOCAIURIT-KBPBESRZSA-N 2 0 328.457 -0.155 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NC2CCCC2)C1 ZINC001132859051 829539149 /nfs/dbraw/zinc/53/91/49/829539149.db2.gz UDZNXHZABLPJOS-OAHLLOKOSA-N 2 0 340.468 -0.140 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CC(=O)Nc2nncs2)CC[N@@H+]1C ZINC001132887029 829544424 /nfs/dbraw/zinc/54/44/24/829544424.db2.gz ZQFXIKQLQQFTAE-QWRGUYRKSA-N 2 0 340.453 -0.087 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)CC[N@@H+]1C ZINC001132886043 829545123 /nfs/dbraw/zinc/54/51/23/829545123.db2.gz ASXDTEJQHLWIIU-MJBXVCDLSA-N 2 0 331.482 -0.143 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001132893634 829546133 /nfs/dbraw/zinc/54/61/33/829546133.db2.gz WQGAVCJSFUNMKH-STQMWFEESA-N 2 0 339.440 -0.636 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CC1)C(=O)NC[C@H]1CCCO1 ZINC001132995537 829569202 /nfs/dbraw/zinc/56/92/02/829569202.db2.gz XABLSFIZVGLALY-UONOGXRCSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001132995281 829569250 /nfs/dbraw/zinc/56/92/50/829569250.db2.gz QBWBTAQBBQYNBH-CYBMUJFWSA-N 2 0 331.482 -0.141 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C)C[C@H](C)O1 ZINC001133051650 829577643 /nfs/dbraw/zinc/57/76/43/829577643.db2.gz JWAIMYQBBBNAEG-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)CCC[NH+](C)C)C2=O)n1 ZINC001133051201 829577772 /nfs/dbraw/zinc/57/77/72/829577772.db2.gz AQWPNMRZCRRJQA-CYBMUJFWSA-N 2 0 336.440 -0.427 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)CCC[NH+](C)C)C(=O)NC[C@@H]1CCCO1 ZINC001133051843 829578891 /nfs/dbraw/zinc/57/88/91/829578891.db2.gz RJGOBZLGTBMTKG-KGLIPLIRSA-N 2 0 328.457 -0.282 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001133178253 829598443 /nfs/dbraw/zinc/59/84/43/829598443.db2.gz NLJHVHXGWUNVEL-STQMWFEESA-N 2 0 341.456 -0.403 20 0 EBADRP C[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C[NH2+]CC(N)=O ZINC001133200399 829604380 /nfs/dbraw/zinc/60/43/80/829604380.db2.gz RSMSATYTSYZTQW-ZIAGYGMSSA-N 2 0 340.468 -0.343 20 0 EBADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001133246565 829610635 /nfs/dbraw/zinc/61/06/35/829610635.db2.gz YZIIARSDDNDBDK-LSDHHAIUSA-N 2 0 342.484 -0.225 20 0 EBADRP Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)C3CC[NH+](C)CC3)C2=O)n1 ZINC001133281704 829614795 /nfs/dbraw/zinc/61/47/95/829614795.db2.gz IKCHWVVDLCBSIK-CQSZACIVSA-N 2 0 348.451 -0.427 20 0 EBADRP COc1ccc(CNC(=O)C[NH2+]CCNC(=O)CC[NH+](C)C)cc1 ZINC001133290992 829616290 /nfs/dbraw/zinc/61/62/90/829616290.db2.gz GXFZUVXHFJXDSS-UHFFFAOYSA-N 2 0 336.436 -0.031 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)N1CCOC[C@H]1C1CC1 ZINC001133297127 829617565 /nfs/dbraw/zinc/61/75/65/829617565.db2.gz HWNOOFYGMWUKHK-AWEZNQCLSA-N 2 0 326.441 -0.719 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC001133297204 829617901 /nfs/dbraw/zinc/61/79/01/829617901.db2.gz JKMOGQJQJAYTBI-UHFFFAOYSA-N 2 0 332.404 -0.060 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001133347288 829625110 /nfs/dbraw/zinc/62/51/10/829625110.db2.gz VTVGNZYGMKDYAS-CHWSQXEVSA-N 2 0 341.456 -0.404 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+]CCNS(=O)(=O)CC)[NH+](CC)CC ZINC001133690198 829662453 /nfs/dbraw/zinc/66/24/53/829662453.db2.gz JCZIGPKMYNSLDN-ZDUSSCGKSA-N 2 0 336.502 -0.248 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001133823587 829680133 /nfs/dbraw/zinc/68/01/33/829680133.db2.gz JWBGOAIKTZKOPJ-ZIAGYGMSSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CC2(CS(C)(=O)=O)CC2)C1 ZINC001133845461 829684405 /nfs/dbraw/zinc/68/44/05/829684405.db2.gz GLUYBBIEVUIPSA-ZDUSSCGKSA-N 2 0 331.482 -0.141 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001133845717 829684452 /nfs/dbraw/zinc/68/44/52/829684452.db2.gz MGYVIPXZMFJHBP-KGLIPLIRSA-N 2 0 326.441 -0.719 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(=O)NC(=O)NC1CC1 ZINC001133849607 829686738 /nfs/dbraw/zinc/68/67/38/829686738.db2.gz AMFFHENVGFPYMO-NEPJUHHUSA-N 2 0 339.440 -0.589 20 0 EBADRP CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133850149 829687179 /nfs/dbraw/zinc/68/71/79/829687179.db2.gz KEDGVKJFWDGSLN-OAHLLOKOSA-N 2 0 342.484 -0.035 20 0 EBADRP Cc1n[nH]c(C)c1NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133865793 829689653 /nfs/dbraw/zinc/68/96/53/829689653.db2.gz GSBPURUSWNJWHQ-MFKMUULPSA-N 2 0 336.440 -0.131 20 0 EBADRP CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133867203 829689706 /nfs/dbraw/zinc/68/97/06/829689706.db2.gz RODZIQMVVXQAAW-GJZGRUSLSA-N 2 0 342.484 -0.179 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001133868136 829691189 /nfs/dbraw/zinc/69/11/89/829691189.db2.gz ZPTPWQWLAAECPS-TZMCWYRMSA-N 2 0 326.441 -0.815 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC1CCS(=O)(=O)CC1 ZINC001133869739 829691296 /nfs/dbraw/zinc/69/12/96/829691296.db2.gz KGWWZCPBGHKQCW-JSGCOSHPSA-N 2 0 331.482 -0.285 20 0 EBADRP C[N@H+](CC(=O)NCC[NH2+]CC(=O)N1CCOCC1)CC(C)(C)C ZINC001133899631 829696077 /nfs/dbraw/zinc/69/60/77/829696077.db2.gz PLMQDFQENAYHGP-UHFFFAOYSA-N 2 0 328.457 -0.471 20 0 EBADRP C[N@H+](CC(=O)NCC[NH2+]CCN1C(=O)CCC1=O)CC(C)(C)C ZINC001133917833 829699040 /nfs/dbraw/zinc/69/90/40/829699040.db2.gz HBTPFVADHQDINH-UHFFFAOYSA-N 2 0 326.441 -0.181 20 0 EBADRP C[N@H+](CCc1ccccc1)CC(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001133917949 829699988 /nfs/dbraw/zinc/69/99/88/829699988.db2.gz MUYTVKNHZSPWHX-UHFFFAOYSA-N 2 0 335.408 -0.938 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001133918419 829700046 /nfs/dbraw/zinc/70/00/46/829700046.db2.gz UCNZQEZZBJMBFB-UHFFFAOYSA-N 2 0 349.435 -0.678 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)[NH+](C)C ZINC001133966198 829708122 /nfs/dbraw/zinc/70/81/22/829708122.db2.gz XFYWMQMGQNCOEE-OLZOCXBDSA-N 2 0 334.486 -0.686 20 0 EBADRP C[C@H](COCC(=O)NCC[NH2+][C@@H]1CCN(C)C1=O)[NH+]1CCCC1 ZINC001134020836 829713123 /nfs/dbraw/zinc/71/31/23/829713123.db2.gz IGRZGNMWXMQKIH-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H](COCC(=O)NCC[NH2+]CC(=O)N(C)C1CC1)[NH+]1CCCC1 ZINC001134021055 829713133 /nfs/dbraw/zinc/71/31/33/829713133.db2.gz PHCSOZPGSYAYGH-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](COCC(=O)NCC[NH2+]CCNC(=O)C1CC1)[NH+]1CCCC1 ZINC001134020497 829713282 /nfs/dbraw/zinc/71/32/82/829713282.db2.gz CCSNYWZEBMJSGT-CQSZACIVSA-N 2 0 340.468 -0.281 20 0 EBADRP COCCOCC[NH2+]CCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001134020850 829713598 /nfs/dbraw/zinc/71/35/98/829713598.db2.gz IJPBDPBWMBZXIC-OAHLLOKOSA-N 2 0 331.457 -0.144 20 0 EBADRP CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001134737067 829837179 /nfs/dbraw/zinc/83/71/79/829837179.db2.gz NHHGHDANWWBCTL-KBPBESRZSA-N 2 0 342.484 -0.036 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001134758975 829840471 /nfs/dbraw/zinc/84/04/71/829840471.db2.gz DEKBIFGCLMCPCA-STQMWFEESA-N 2 0 341.456 -0.199 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001134763149 829841145 /nfs/dbraw/zinc/84/11/45/829841145.db2.gz NZPWYGALMQOFHD-ZDUSSCGKSA-N 2 0 341.456 -0.199 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001134768847 829842685 /nfs/dbraw/zinc/84/26/85/829842685.db2.gz GRWHSFGXAYFMEM-VXGBXAGGSA-N 2 0 327.429 -0.462 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780697 829845405 /nfs/dbraw/zinc/84/54/05/829845405.db2.gz RZLOSRHJKLDGRE-UHFFFAOYSA-N 2 0 334.486 -0.637 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135095638 829896742 /nfs/dbraw/zinc/89/67/42/829896742.db2.gz MLYRKDLRFKQVSR-NEPJUHHUSA-N 2 0 325.413 -0.835 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135095389 829897083 /nfs/dbraw/zinc/89/70/83/829897083.db2.gz GNRSCOJGPMIMNP-GJZGRUSLSA-N 2 0 340.468 -0.138 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135093352 829897125 /nfs/dbraw/zinc/89/71/25/829897125.db2.gz LQFLFLPBJAESLY-HUUCEWRRSA-N 2 0 340.468 -0.138 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135095640 829897723 /nfs/dbraw/zinc/89/77/23/829897723.db2.gz MLYRKDLRFKQVSR-RYUDHWBXSA-N 2 0 325.413 -0.835 20 0 EBADRP COc1ccc(C[NH2+]CCNC(=O)c2cnn(CC[NH+](C)C)c2)nn1 ZINC001135115222 829899974 /nfs/dbraw/zinc/89/99/74/829899974.db2.gz YHUKHYQKCRXGJU-UHFFFAOYSA-N 2 0 347.423 -0.237 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC(=O)NC(N)=O ZINC001135181465 829917156 /nfs/dbraw/zinc/91/71/56/829917156.db2.gz PUJQIQZCROGYQH-NEPJUHHUSA-N 2 0 341.456 -0.071 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135373203 829955218 /nfs/dbraw/zinc/95/52/18/829955218.db2.gz VLAZQFKAERZINW-CHWSQXEVSA-N 2 0 336.502 -0.250 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)[NH2+]CCN(C)S(C)(=O)=O ZINC001135371477 829955808 /nfs/dbraw/zinc/95/58/08/829955808.db2.gz GDBOAQMHLFVREI-OLZOCXBDSA-N 2 0 336.502 -0.298 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)N(C)Cc1cnn(C)c1 ZINC001135513741 829979690 /nfs/dbraw/zinc/97/96/90/829979690.db2.gz XINLUHHBZRWGIY-UHFFFAOYSA-N 2 0 338.456 -0.574 20 0 EBADRP CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135651418 829997971 /nfs/dbraw/zinc/99/79/71/829997971.db2.gz KXRBMLBHCUFYAI-STQMWFEESA-N 2 0 338.456 -0.323 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135688294 830007740 /nfs/dbraw/zinc/00/77/40/830007740.db2.gz KSODHOUZFSYFMX-UHFFFAOYSA-N 2 0 328.457 -0.423 20 0 EBADRP COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135688302 830008289 /nfs/dbraw/zinc/00/82/89/830008289.db2.gz LESXCNLTKVWPOY-CVEARBPZSA-N 2 0 345.484 -0.164 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135767556 830021750 /nfs/dbraw/zinc/02/17/50/830021750.db2.gz FOSAQMWIEFRTIZ-STQMWFEESA-N 2 0 341.456 -0.214 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)COC1CC[NH+](C)CC1)[NH2+]CCOCCO ZINC001135804448 830028059 /nfs/dbraw/zinc/02/80/59/830028059.db2.gz KGKUUVMAXTXPAK-CABCVRRESA-N 2 0 345.484 -0.021 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CC(=O)NC1CC1)NC(=O)COCC[NH+](C)C ZINC001135922929 830046494 /nfs/dbraw/zinc/04/64/94/830046494.db2.gz DIEWLIDTJSQZBG-CHWSQXEVSA-N 2 0 328.457 -0.284 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)COCC[NH+](C)C)[NH2+]Cc1nncn1C ZINC001135924082 830047346 /nfs/dbraw/zinc/04/73/46/830047346.db2.gz PZTBDEVMHAPSDJ-OLZOCXBDSA-N 2 0 326.445 -0.234 20 0 EBADRP CCN1CC[C@H]([NH2+]CCNC(=O)COC2CC[NH+](C)CC2)C1=O ZINC001135959280 830051908 /nfs/dbraw/zinc/05/19/08/830051908.db2.gz NMBDIYPVPRETCA-AWEZNQCLSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]CC(=O)N2CCCCC2)CC1 ZINC001135959371 830052312 /nfs/dbraw/zinc/05/23/12/830052312.db2.gz PPFFPBJGHYHBEW-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)CCCC[NH+](C)C ZINC001135967519 830054706 /nfs/dbraw/zinc/05/47/06/830054706.db2.gz VNLBWHKSOQKALG-VXGBXAGGSA-N 2 0 329.445 -0.214 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001135977019 830055254 /nfs/dbraw/zinc/05/52/54/830055254.db2.gz PLEUUXQHMMNMIA-NWDGAFQWSA-N 2 0 326.445 -0.177 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001135977020 830055451 /nfs/dbraw/zinc/05/54/51/830055451.db2.gz PLEUUXQHMMNMIA-RYUDHWBXSA-N 2 0 326.445 -0.177 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211284532 837421927 /nfs/dbraw/zinc/42/19/27/837421927.db2.gz MHELSYPUKJANAL-QWHCGFSZSA-N 2 0 341.456 -0.249 20 0 EBADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)CC[NH+]2CCN(C)CC2)O1 ZINC001143237882 830146656 /nfs/dbraw/zinc/14/66/56/830146656.db2.gz VAQDJQDNEGVWCN-FMKPAKJESA-N 2 0 328.457 -0.535 20 0 EBADRP CN(CC(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1)C(N)=[NH2+] ZINC001144132533 830159559 /nfs/dbraw/zinc/15/95/59/830159559.db2.gz VQIYTOAQGAXGRK-CABCVRRESA-N 2 0 346.435 -0.291 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CCCS(N)(=O)=O ZINC001144588721 830166673 /nfs/dbraw/zinc/16/66/73/830166673.db2.gz AWTBECBCTLMTGD-UHFFFAOYSA-N 2 0 336.502 -0.213 20 0 EBADRP CC(C)(C)OC(=O)N[C@@](C)(CO)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001146190095 830177425 /nfs/dbraw/zinc/17/74/25/830177425.db2.gz ZDVWMIHCZBXYBA-AWEZNQCLSA-N 2 0 331.417 -0.277 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)N2CCOCC2)CC1 ZINC001146383910 830195658 /nfs/dbraw/zinc/19/56/58/830195658.db2.gz LXOFBWFLVSEDEW-UHFFFAOYSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC001146710287 830221317 /nfs/dbraw/zinc/22/13/17/830221317.db2.gz JTPGHPKJSGNJQD-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001147358928 830326536 /nfs/dbraw/zinc/32/65/36/830326536.db2.gz IXEHJZJTOXGTTO-LBPRGKRZSA-N 2 0 327.429 -0.458 20 0 EBADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001147359325 830327826 /nfs/dbraw/zinc/32/78/26/830327826.db2.gz OKCKGHMNTDIUEN-CHWSQXEVSA-N 2 0 341.456 -0.070 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1nccnc1C(N)=O ZINC001147753294 830406395 /nfs/dbraw/zinc/40/63/95/830406395.db2.gz MMKRPRHZCNARGK-UHFFFAOYSA-N 2 0 336.440 -0.079 20 0 EBADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001147835544 830417622 /nfs/dbraw/zinc/41/76/22/830417622.db2.gz UCQKRSNVHANKAT-CHWSQXEVSA-N 2 0 339.440 -0.636 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC(=O)NCc1ccccc1 ZINC001147842111 830418686 /nfs/dbraw/zinc/41/86/86/830418686.db2.gz NGEPSKGHCYXLQB-UHFFFAOYSA-N 2 0 336.436 -0.413 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]CC2(CS(C)(=O)=O)CC2)C1 ZINC001147885909 830425912 /nfs/dbraw/zinc/42/59/12/830425912.db2.gz QKUPGLUEJDGFNC-ZDUSSCGKSA-N 2 0 331.482 -0.141 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001147886586 830426398 /nfs/dbraw/zinc/42/63/98/830426398.db2.gz XZYHOJYDLZIDAO-KGLIPLIRSA-N 2 0 331.482 -0.141 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC(=O)N1CCc2ccccc21 ZINC001147894050 830427259 /nfs/dbraw/zinc/42/72/59/830427259.db2.gz ZGSPBNWJGLKAPE-UHFFFAOYSA-N 2 0 348.447 -0.140 20 0 EBADRP CN(CC(F)(F)F)C(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147893017 830427330 /nfs/dbraw/zinc/42/73/30/830427330.db2.gz NZQDZLHGIWZSEL-UHFFFAOYSA-N 2 0 342.362 -0.709 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147891534 830427354 /nfs/dbraw/zinc/42/73/54/830427354.db2.gz BPQHYTABVXAZBB-CYBMUJFWSA-N 2 0 334.486 -0.685 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CCOC[C@H]1CCCCO1 ZINC001147891588 830427384 /nfs/dbraw/zinc/42/73/84/830427384.db2.gz DVXLHHIRQALPPF-OAHLLOKOSA-N 2 0 331.457 -0.144 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC(=O)Nc1ccc(O)cc1 ZINC001147893565 830427505 /nfs/dbraw/zinc/42/75/05/830427505.db2.gz RJJAQYMPMSAXRW-UHFFFAOYSA-N 2 0 338.408 -0.385 20 0 EBADRP CC(C)(C)NC(=O)NCC[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977829 830433898 /nfs/dbraw/zinc/43/38/98/830433898.db2.gz XUOZIXLJXABROA-UHFFFAOYSA-N 2 0 325.457 -0.114 20 0 EBADRP O=C(NCC[NH2+]CC[C@H]1CCS(=O)(=O)C1)C12CC[NH+](CC1)C2 ZINC001147977911 830434466 /nfs/dbraw/zinc/43/44/66/830434466.db2.gz ZQMCUQFETXVWMK-ZDUSSCGKSA-N 2 0 329.466 -0.387 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148051831 830444253 /nfs/dbraw/zinc/44/42/53/830444253.db2.gz XONOWYZZODTFOF-UHFFFAOYSA-N 2 0 336.396 -0.687 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001148058308 830444839 /nfs/dbraw/zinc/44/48/39/830444839.db2.gz XNSNMMIBHFTSPR-ZDUSSCGKSA-N 2 0 349.435 -0.380 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001148057851 830445172 /nfs/dbraw/zinc/44/51/72/830445172.db2.gz NSMCDNWYNHPWLF-UHFFFAOYSA-N 2 0 334.380 -0.981 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CC3(C2)CC[N@H+](CCOCCO)C3)CC1 ZINC001148161258 830450734 /nfs/dbraw/zinc/45/07/34/830450734.db2.gz RAOJHHOWMJUJNL-UHFFFAOYSA-N 2 0 325.453 -0.129 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148360507 830475826 /nfs/dbraw/zinc/47/58/26/830475826.db2.gz WIGGKFGSFLEHOU-UHFFFAOYSA-N 2 0 329.445 -0.340 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+]([C@H](C)C(=O)NC(N)=O)C2 ZINC001148551530 830503084 /nfs/dbraw/zinc/50/30/84/830503084.db2.gz NCQYODDKLAGYHH-GFCCVEGCSA-N 2 0 339.440 -0.554 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001148548256 830503383 /nfs/dbraw/zinc/50/33/83/830503383.db2.gz ORHXFDKZMIPNDB-CYBMUJFWSA-N 2 0 336.436 -0.332 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001148577958 830511986 /nfs/dbraw/zinc/51/19/86/830511986.db2.gz LPVJCGYSGDZRFH-CYBMUJFWSA-N 2 0 343.472 -0.983 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001148643220 830523706 /nfs/dbraw/zinc/52/37/06/830523706.db2.gz VGSPIVPDPJRYCN-ZDUSSCGKSA-N 2 0 334.486 -0.685 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCOCCO)CCCO1 ZINC001149399342 830656590 /nfs/dbraw/zinc/65/65/90/830656590.db2.gz SBYBNRNJMAZSGD-HUUCEWRRSA-N 2 0 329.441 -0.703 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1C[NH+](C[C@H](O)COC)CCCO1 ZINC001149937502 830786287 /nfs/dbraw/zinc/78/62/87/830786287.db2.gz TXEIZEGMQCEXLK-GJZGRUSLSA-N 2 0 345.484 -0.069 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001150099599 830819117 /nfs/dbraw/zinc/81/91/17/830819117.db2.gz HPDCFZNXVMGOQV-JYJNAYRXSA-N 2 0 343.468 -0.315 20 0 EBADRP C[NH+](C)CC1(C(=O)NC[C@H]2C[N@H+](CCOCCO)CCCO2)CC1 ZINC001150192608 830834845 /nfs/dbraw/zinc/83/48/45/830834845.db2.gz GUJQWRRVDNIQLF-HNNXBMFYSA-N 2 0 343.468 -0.456 20 0 EBADRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCOCCO)CCCO1)[NH+](C)C ZINC001150350193 830871015 /nfs/dbraw/zinc/87/10/15/830871015.db2.gz AWTHNWNZWDLMAG-CABCVRRESA-N 2 0 331.457 -0.457 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](CCOCCO)CCCO2)C1 ZINC001150699078 830963772 /nfs/dbraw/zinc/96/37/72/830963772.db2.gz FGVXTEQWDROTJO-HUUCEWRRSA-N 2 0 329.441 -0.846 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](CCO)CCCO1 ZINC001150724991 830971017 /nfs/dbraw/zinc/97/10/17/830971017.db2.gz SJDUOTAMVBSSSA-HUUCEWRRSA-N 2 0 329.441 -0.846 20 0 EBADRP CN(C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1)c1nccs1 ZINC001151065145 831020210 /nfs/dbraw/zinc/02/02/10/831020210.db2.gz HHGURMOWFSFERZ-LLVKDONJSA-N 2 0 325.438 -0.237 20 0 EBADRP CC(C)CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151074082 831022254 /nfs/dbraw/zinc/02/22/54/831022254.db2.gz VARAWUTXLRRSQO-OAHLLOKOSA-N 2 0 342.484 -0.177 20 0 EBADRP NC(=O)c1ccccc1NC(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151097260 831024488 /nfs/dbraw/zinc/02/44/88/831024488.db2.gz MEUDMTFXSGAXNW-UHFFFAOYSA-N 2 0 347.419 -0.474 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151107077 831025896 /nfs/dbraw/zinc/02/58/96/831025896.db2.gz QQYJABVMZYXNCU-UHFFFAOYSA-N 2 0 327.429 -0.586 20 0 EBADRP Cn1cc(N2CCC[C@H]([NH2+]CCNC(=O)C[NH+]3CCCC3)C2=O)cn1 ZINC001151101196 831025923 /nfs/dbraw/zinc/02/59/23/831025923.db2.gz PZEPZLCZRXARAR-HNNXBMFYSA-N 2 0 348.451 -0.283 20 0 EBADRP CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151101565 831026156 /nfs/dbraw/zinc/02/61/56/831026156.db2.gz SNZUGZADPQHIAQ-ZDUSSCGKSA-N 2 0 341.456 -0.342 20 0 EBADRP Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)C[NH+]3CCCC3)C2=O)cn1 ZINC001151101539 831026324 /nfs/dbraw/zinc/02/63/24/831026324.db2.gz RRRPJOHNGNNHMP-AWEZNQCLSA-N 2 0 334.424 -0.673 20 0 EBADRP Cc1cc(N2CC[C@@H]([NH2+]CCNC(=O)C[NH+]3CCCC3)C2=O)n(C)n1 ZINC001151101203 831026361 /nfs/dbraw/zinc/02/63/61/831026361.db2.gz QFJVESQJWRLAHS-CQSZACIVSA-N 2 0 348.451 -0.365 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001151152260 831031640 /nfs/dbraw/zinc/03/16/40/831031640.db2.gz MGXGNGZVQIBNQR-CQSZACIVSA-N 2 0 326.441 -0.717 20 0 EBADRP CC(C)[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151156392 831033282 /nfs/dbraw/zinc/03/32/82/831033282.db2.gz BLXCGTVYAYXWHT-GJZGRUSLSA-N 2 0 342.484 -0.179 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC001151156427 831033500 /nfs/dbraw/zinc/03/35/00/831033500.db2.gz CHYXLSBWKGCPFY-ZIAGYGMSSA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)N1CCCCC1 ZINC001151152953 831033631 /nfs/dbraw/zinc/03/36/31/831033631.db2.gz YPFKBTVUGQHHDV-OAHLLOKOSA-N 2 0 340.468 -0.327 20 0 EBADRP CC(C)N(C)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151156491 831034050 /nfs/dbraw/zinc/03/40/50/831034050.db2.gz DOWKHRAAIXEORH-CABCVRRESA-N 2 0 342.484 -0.084 20 0 EBADRP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151156472 831035090 /nfs/dbraw/zinc/03/50/90/831035090.db2.gz DFPIVDHMZBQHGT-UONOGXRCSA-N 2 0 328.457 -0.425 20 0 EBADRP CCC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151160814 831036366 /nfs/dbraw/zinc/03/63/66/831036366.db2.gz ZCTMDFOJTALHAE-HUUCEWRRSA-N 2 0 342.484 -0.035 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001152145823 831133965 /nfs/dbraw/zinc/13/39/65/831133965.db2.gz DZECDCDUCLCCKC-STQMWFEESA-N 2 0 334.486 -0.544 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152147405 831134057 /nfs/dbraw/zinc/13/40/57/831134057.db2.gz NAGOINNJACSEBD-VXGBXAGGSA-N 2 0 327.429 -0.589 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001152145963 831134269 /nfs/dbraw/zinc/13/42/69/831134269.db2.gz HFPZVDLAJGROGK-KBPBESRZSA-N 2 0 348.513 -0.154 20 0 EBADRP O=C(CCC[NH+]1CCCC1)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001152237287 831145036 /nfs/dbraw/zinc/14/50/36/831145036.db2.gz LQBOLAFJABQWOZ-OAHLLOKOSA-N 2 0 340.468 -0.279 20 0 EBADRP C[NH+](C)Cc1cccc(C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)c1 ZINC001152245645 831145113 /nfs/dbraw/zinc/14/51/13/831145113.db2.gz JSKLKKOZRSRHHZ-UHFFFAOYSA-N 2 0 347.419 -0.381 20 0 EBADRP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152446036 831164482 /nfs/dbraw/zinc/16/44/82/831164482.db2.gz ROTSFXWVTJRUMS-CYBMUJFWSA-N 2 0 343.472 -0.097 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001152458178 831165586 /nfs/dbraw/zinc/16/55/86/831165586.db2.gz MIYYIZXKLSNNEN-LSDHHAIUSA-N 2 0 340.468 -0.450 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)COCCOC ZINC001152458599 831165821 /nfs/dbraw/zinc/16/58/21/831165821.db2.gz RLXAZUNYNZUTLA-HUUCEWRRSA-N 2 0 331.457 -0.410 20 0 EBADRP CC(C)[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)[NH+]1CCCC1 ZINC001152464325 831165873 /nfs/dbraw/zinc/16/58/73/831165873.db2.gz KVMMIJABSRGNFR-CYBMUJFWSA-N 2 0 334.486 -0.638 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)[NH+]1CCCCC1 ZINC001152479257 831166366 /nfs/dbraw/zinc/16/63/66/831166366.db2.gz CUDKTYCOMLNUJM-ZDUSSCGKSA-N 2 0 327.429 -0.602 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)[NH+]1CCCCC1 ZINC001152479754 831166896 /nfs/dbraw/zinc/16/68/96/831166896.db2.gz JSHFBSZLSUDBMT-AWEZNQCLSA-N 2 0 348.513 -0.248 20 0 EBADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)o1 ZINC001153266805 831218903 /nfs/dbraw/zinc/21/89/03/831218903.db2.gz STZUKYBYGFJCTL-UHFFFAOYSA-N 2 0 339.396 -0.364 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)CCCC[NH+]1CCCC1 ZINC001153314881 831221717 /nfs/dbraw/zinc/22/17/17/831221717.db2.gz REXDTRBHNJJXSA-INIZCTEOSA-N 2 0 345.484 -0.018 20 0 EBADRP O=C(c1cccnc1NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12)N1CC[NH2+]CC1 ZINC001155483779 831409169 /nfs/dbraw/zinc/40/91/69/831409169.db2.gz SWPQATJDKNIVBN-BPLDGKMQSA-N 2 0 331.420 -0.227 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001155789894 831430183 /nfs/dbraw/zinc/43/01/83/831430183.db2.gz GWTCCERZGVFQMH-UONOGXRCSA-N 2 0 326.441 -0.840 20 0 EBADRP C[C@H](C[NH+](C)C)Nc1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001155914872 831439971 /nfs/dbraw/zinc/43/99/71/831439971.db2.gz NAXHKASWXVKEQM-SNVBAGLBSA-N 2 0 327.454 -0.070 20 0 EBADRP CC[N@H+](C[C@@H](O)COCCOC)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156935786 831515711 /nfs/dbraw/zinc/51/57/11/831515711.db2.gz WYSHAGYPDNCHGD-HZPDHXFCSA-N 2 0 345.484 -0.067 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CCN2)C(=O)N1CCCC1 ZINC001157370700 831561255 /nfs/dbraw/zinc/56/12/55/831561255.db2.gz GIGYUVNBDICHPF-KEYYUXOJSA-N 2 0 337.468 -0.826 20 0 EBADRP C[C@]1(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)CC[NH2+]C[C@H]1O ZINC001157370784 831561903 /nfs/dbraw/zinc/56/19/03/831561903.db2.gz GXSWTBIFJYLUHP-VBQJREDUSA-N 2 0 340.468 -0.417 20 0 EBADRP CO[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)C1 ZINC001157386868 831562928 /nfs/dbraw/zinc/56/29/28/831562928.db2.gz RBLSPXQBEDXBJQ-ILXRZTDVSA-N 2 0 340.468 -0.010 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)[C@@H]([NH3+])C1CCOCC1)C(=O)N1CCCC1 ZINC001157379901 831563658 /nfs/dbraw/zinc/56/36/58/831563658.db2.gz QVMIQUBYYIXWKE-GJZGRUSLSA-N 2 0 340.468 -0.024 20 0 EBADRP [NH3+]CCC[NH2+]CC(=O)NCCNC(=O)C(F)(F)Br ZINC001157434166 831565797 /nfs/dbraw/zinc/56/57/97/831565797.db2.gz PEFOEVMQXFXJRT-UHFFFAOYSA-N 2 0 331.161 -0.855 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001157497911 831571789 /nfs/dbraw/zinc/57/17/89/831571789.db2.gz UTRRCGBDPSAQJP-KBPBESRZSA-N 2 0 326.441 -0.317 20 0 EBADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001157627857 831583546 /nfs/dbraw/zinc/58/35/46/831583546.db2.gz ZJZNBOCDLTZCNW-CVEARBPZSA-N 2 0 325.453 -0.082 20 0 EBADRP C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@@H]1[NH3+] ZINC001157804874 831594207 /nfs/dbraw/zinc/59/42/07/831594207.db2.gz ZEAFLCOPVWRTHD-QPSCCSFWSA-N 3 0 339.484 -0.371 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001157886280 831603357 /nfs/dbraw/zinc/60/33/57/831603357.db2.gz DRIWDAGGMIDKRY-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001157899095 831603837 /nfs/dbraw/zinc/60/38/37/831603837.db2.gz JOFWLMFRRIVXTG-CHWSQXEVSA-N 2 0 341.456 -0.201 20 0 EBADRP [NH3+]Cc1cccc(-c2nnn(-c3cncc(N4CC[NH2+]CC4)n3)n2)c1 ZINC001158042903 831623206 /nfs/dbraw/zinc/62/32/06/831623206.db2.gz JQHVDNCRWYXOCX-UHFFFAOYSA-N 2 0 337.391 -0.012 20 0 EBADRP [NH3+]C1CC2(C1)CCN(C(=O)[C@@H]1Cn3nnnc3C13CC[NH2+]CC3)CC2 ZINC001158082817 831625699 /nfs/dbraw/zinc/62/56/99/831625699.db2.gz SIASLEFLYAVHAI-ZDUSSCGKSA-N 2 0 345.451 -0.346 20 0 EBADRP CCOc1ccc(C[C@H]([NH3+])C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)cc1 ZINC001158092716 831626868 /nfs/dbraw/zinc/62/68/68/831626868.db2.gz PKGYGPVZVCZWMS-MAUKXSAKSA-N 2 0 346.431 -0.354 20 0 EBADRP O=C([C@@H]1C[C@H](Oc2ccccc2)C[NH2+]1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091906 831626919 /nfs/dbraw/zinc/62/69/19/831626919.db2.gz JUWBDYGXRYJIRO-RLFYNMQTSA-N 2 0 344.415 -0.514 20 0 EBADRP O=C(C[C@H]1C[NH2+]Cc2cccn2C1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091938 831626936 /nfs/dbraw/zinc/62/69/36/831626936.db2.gz KMAJVPUMIQZAPS-SUMWQHHRSA-N 2 0 331.420 -0.712 20 0 EBADRP O=C(N1CC(=O)NC[C@@]12CC[NH2+]C2)C1(c2ccccc2)CC[NH2+]CC1 ZINC001158091626 831627282 /nfs/dbraw/zinc/62/72/82/831627282.db2.gz FZJMQLJWSSYIEO-SFHVURJKSA-N 2 0 342.443 -0.002 20 0 EBADRP O=C(N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)C(F)(F)C1CC[NH2+]CC1 ZINC001158119343 831629679 /nfs/dbraw/zinc/62/96/79/831629679.db2.gz FYIVTXBQTONILJ-HNNXBMFYSA-N 2 0 342.390 -0.441 20 0 EBADRP O=C(c1csc2c1CC[NH2+]C2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120472 831630696 /nfs/dbraw/zinc/63/06/96/831630696.db2.gz PRCRYAYTRZCQHS-QGZVFWFLSA-N 2 0 346.456 -0.055 20 0 EBADRP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158121720 831631184 /nfs/dbraw/zinc/63/11/84/831631184.db2.gz WOKAIMPKHNADEB-HNAYVOBHSA-N 2 0 340.427 -0.361 20 0 EBADRP C[C@H]1CN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C[C@H](C)[NH2+]1 ZINC001158172164 831635974 /nfs/dbraw/zinc/63/59/74/831635974.db2.gz BBABJPQCWIVJAI-QWRGUYRKSA-N 2 0 339.465 -0.245 20 0 EBADRP [NH3+][C@H](C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1)C1CCC2(CC1)OCCO2 ZINC001158180068 831637201 /nfs/dbraw/zinc/63/72/01/831637201.db2.gz SJJBASSDJJXZSD-KFWWJZLASA-N 2 0 339.436 -0.306 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)NC(N)=O ZINC001158202143 831638843 /nfs/dbraw/zinc/63/88/43/831638843.db2.gz DNCJAIJIZKVPHR-ZYHUDNBSSA-N 2 0 325.413 -0.993 20 0 EBADRP Cc1nnc(C[NH2+]CCCNC(=O)c2ccn(CC[NH+](C)C)n2)[nH]1 ZINC001158288518 831644036 /nfs/dbraw/zinc/64/40/36/831644036.db2.gz VEEIIAIDPNMUKB-UHFFFAOYSA-N 2 0 334.428 -0.219 20 0 EBADRP O=C([C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306426 831644922 /nfs/dbraw/zinc/64/49/22/831644922.db2.gz TVQFZSQJLMYLHB-YNEHKIRRSA-N 2 0 327.450 -0.779 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158390262 831650360 /nfs/dbraw/zinc/65/03/60/831650360.db2.gz UBGHKMWLLPBNAI-RRFJBIMHSA-N 2 0 342.484 -0.036 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC)CC[N@@H+]1C ZINC001158404087 831651506 /nfs/dbraw/zinc/65/15/06/831651506.db2.gz QIHAIVXBVKYHOW-NWDGAFQWSA-N 2 0 327.429 -0.732 20 0 EBADRP CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2 ZINC001158416572 831653136 /nfs/dbraw/zinc/65/31/36/831653136.db2.gz XHILECYYHBTAQB-YWPYICTPSA-N 2 0 345.465 -0.424 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2nnc3n2CCOC3)CC[N@@H+]1C ZINC001158420656 831653448 /nfs/dbraw/zinc/65/34/48/831653448.db2.gz JKPZQTQGWKOYIH-CHWSQXEVSA-N 2 0 336.440 -0.256 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001158421064 831653920 /nfs/dbraw/zinc/65/39/20/831653920.db2.gz RPAFPUQIVWBHAZ-ZIAGYGMSSA-N 2 0 326.441 -0.719 20 0 EBADRP O=C(c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158429797 831654855 /nfs/dbraw/zinc/65/48/55/831654855.db2.gz BIKXKHUPRGSOEW-CFVMTHIKSA-N 2 0 342.403 -0.033 20 0 EBADRP CC(C)(C)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158486895 831660054 /nfs/dbraw/zinc/66/00/54/831660054.db2.gz UIIJXSNBIGMASS-UONOGXRCSA-N 2 0 340.468 -0.140 20 0 EBADRP CS(=O)(=O)CCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158505336 831660906 /nfs/dbraw/zinc/66/09/06/831660906.db2.gz BCBOPVZLXKPLJB-UONOGXRCSA-N 2 0 347.481 -0.620 20 0 EBADRP Cn1nccc1CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158505635 831661932 /nfs/dbraw/zinc/66/19/32/831661932.db2.gz DJAONQJCPSYUIV-HZPDHXFCSA-N 2 0 335.452 -0.078 20 0 EBADRP O=C(NCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC1 ZINC001158509154 831662060 /nfs/dbraw/zinc/66/20/60/831662060.db2.gz ZTNGPFGIPFFNFX-CABCVRRESA-N 2 0 338.452 -0.528 20 0 EBADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)CNCC[NH3+])CC2)CC1 ZINC001158513014 831663459 /nfs/dbraw/zinc/66/34/59/831663459.db2.gz GDRJFUVEZCEZQK-UHFFFAOYSA-N 2 0 340.468 -0.199 20 0 EBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158545510 831664256 /nfs/dbraw/zinc/66/42/56/831664256.db2.gz HDMFUHYSVBLBAU-PNBKFKSVSA-N 2 0 338.452 -0.401 20 0 EBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158579251 831667557 /nfs/dbraw/zinc/66/75/57/831667557.db2.gz QPIOIFMHYKAAMI-RNJOBUHISA-N 2 0 326.416 -0.140 20 0 EBADRP O=C([C@@H]1C[NH2+]C[C@H]1O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158658470 831676331 /nfs/dbraw/zinc/67/63/31/831676331.db2.gz JXLOEHVMEGYFDW-DGCLKSJQSA-N 2 0 344.375 -0.776 20 0 EBADRP Cc1noc([C@@H]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH2+]CC45C[NH2+]C5)C[C@H]3O2)n1 ZINC001158693357 831678999 /nfs/dbraw/zinc/67/89/99/831678999.db2.gz MMPSSQXBDLUECS-XDQVBPFNSA-N 2 0 347.419 -0.134 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001158694174 831679105 /nfs/dbraw/zinc/67/91/05/831679105.db2.gz TUMQDFLDKGPHSW-AYDFFVQHSA-N 2 0 338.452 -0.319 20 0 EBADRP CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2 ZINC001158790013 831686710 /nfs/dbraw/zinc/68/67/10/831686710.db2.gz HYUKJTNDUFZOCU-MNOVXSKESA-N 2 0 342.469 -0.611 20 0 EBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@]1(N)CCC[NH2+]C1)CC2 ZINC001158891098 831693728 /nfs/dbraw/zinc/69/37/28/831693728.db2.gz SSZDXZSPRPJQSE-QGZVFWFLSA-N 2 0 337.468 -0.730 20 0 EBADRP [NH3+]C[C@H](O)CC(=O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158890704 831693987 /nfs/dbraw/zinc/69/39/87/831693987.db2.gz KWJADGCXANLXRD-HSMVNMDESA-N 2 0 338.383 -0.216 20 0 EBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@H]([NH3+])Cc1cnc[nH]1)CC2 ZINC001158891335 831694870 /nfs/dbraw/zinc/69/48/70/831694870.db2.gz XFZYLLXEGZJXGR-CQSZACIVSA-N 2 0 348.451 -0.518 20 0 EBADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)C1 ZINC001159135474 831711006 /nfs/dbraw/zinc/71/10/06/831711006.db2.gz WDEZNERROJOIAN-CBBWQLFWSA-N 2 0 332.452 -0.647 20 0 EBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001159133994 831711477 /nfs/dbraw/zinc/71/14/77/831711477.db2.gz LVZOAUREPUBDOE-HIFRSBDPSA-N 2 0 345.451 -0.293 20 0 EBADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001159134319 831711548 /nfs/dbraw/zinc/71/15/48/831711548.db2.gz MMAXNRKJYFJVFW-XJKSGUPXSA-N 3 0 334.468 -0.270 20 0 EBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)CN3CC[NH2+]CC3)CC[C@@H]2C1 ZINC001159637065 831768076 /nfs/dbraw/zinc/76/80/76/831768076.db2.gz WHIQMXUTDCPLJU-HZPDHXFCSA-N 2 0 340.468 -0.913 20 0 EBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159665303 831770710 /nfs/dbraw/zinc/77/07/10/831770710.db2.gz JGIKDLZZMTTZGT-QAETUUGQSA-N 2 0 346.431 -0.394 20 0 EBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001159837811 831787262 /nfs/dbraw/zinc/78/72/62/831787262.db2.gz FXNDDHHUHOIZDG-UONOGXRCSA-N 2 0 338.452 -0.135 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159847260 831787634 /nfs/dbraw/zinc/78/76/34/831787634.db2.gz YDEXXOYOFCYKEX-GFCCVEGCSA-N 2 0 341.456 -0.199 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159854889 831788708 /nfs/dbraw/zinc/78/87/08/831788708.db2.gz VXYOPJBSLRPYIC-UHFFFAOYSA-N 2 0 341.456 -0.198 20 0 EBADRP CN(C)C(=O)[C@@H]1CC12CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC2 ZINC001159862786 831789230 /nfs/dbraw/zinc/78/92/30/831789230.db2.gz CHZCJXTWONFGJC-RYUDHWBXSA-N 2 0 328.482 -0.278 20 0 EBADRP COC[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001159868757 831791190 /nfs/dbraw/zinc/79/11/90/831791190.db2.gz LCSNTALVLKIJGD-CVEARBPZSA-N 2 0 343.468 -0.267 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC001159932841 831799368 /nfs/dbraw/zinc/79/93/68/831799368.db2.gz WFERAXMZWKLOBD-JSGCOSHPSA-N 2 0 331.482 -0.143 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159932429 831799420 /nfs/dbraw/zinc/79/94/20/831799420.db2.gz QXQSEZQBTRBHMC-HUUCEWRRSA-N 2 0 331.457 -0.554 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159932424 831799631 /nfs/dbraw/zinc/79/96/31/831799631.db2.gz QTHLZUXQZIRAKA-ZDUSSCGKSA-N 2 0 334.486 -0.638 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001160003261 831804532 /nfs/dbraw/zinc/80/45/32/831804532.db2.gz GBUHAXUUQXOFIH-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001160192719 831823821 /nfs/dbraw/zinc/82/38/21/831823821.db2.gz FJKQSMGOPWHUDC-ZDUSSCGKSA-N 2 0 346.439 -0.289 20 0 EBADRP CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)[C@@H]([NH3+])CCC[NH3+])[C@@H]2C1 ZINC001160294577 831834075 /nfs/dbraw/zinc/83/40/75/831834075.db2.gz DAPLHDSDNZLEKA-IGQOVBAYSA-N 2 0 326.441 -0.417 20 0 EBADRP C[NH+](C)CCOCc1ncn2c1CN(C(=O)C[C@H](O)C[NH3+])CCC2 ZINC001160357129 831841188 /nfs/dbraw/zinc/84/11/88/831841188.db2.gz HRPFFOXFLJJKMO-ZDUSSCGKSA-N 2 0 339.440 -0.597 20 0 EBADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCOCC1)[NH+](C)C ZINC001160427356 831848997 /nfs/dbraw/zinc/84/89/97/831848997.db2.gz QOQQWRQNKABNGM-HNNXBMFYSA-N 2 0 328.457 -0.473 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC001160484436 831854687 /nfs/dbraw/zinc/85/46/87/831854687.db2.gz ZWXLVMMBLVZRJW-AWEZNQCLSA-N 2 0 325.457 -0.791 20 0 EBADRP COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160494946 831857268 /nfs/dbraw/zinc/85/72/68/831857268.db2.gz VWICYHBPWUYLGV-NGZCFLSTSA-N 2 0 333.410 -0.941 20 0 EBADRP [NH3+][C@@H](C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1)C1CC[NH2+]CC1 ZINC001160506216 831858023 /nfs/dbraw/zinc/85/80/23/831858023.db2.gz JKXFRQCFMHJOSL-LSDHHAIUSA-N 2 0 338.452 -0.447 20 0 EBADRP [NH3+][C@@H](C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1)C1CC[NH2+]CC1 ZINC001160506214 831858207 /nfs/dbraw/zinc/85/82/07/831858207.db2.gz JKXFRQCFMHJOSL-HUUCEWRRSA-N 2 0 338.452 -0.447 20 0 EBADRP CCOC(=O)[C@@H]1CCCCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160585153 831867295 /nfs/dbraw/zinc/86/72/95/831867295.db2.gz ZCOFFLGJVFINPM-KGLIPLIRSA-N 2 0 326.441 -0.319 20 0 EBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001160637457 831873216 /nfs/dbraw/zinc/87/32/16/831873216.db2.gz QAAKKVJWTBYVCO-AWEZNQCLSA-N 2 0 325.457 -0.875 20 0 EBADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@]23C(=O)Nc2ccccc23)C[C@@H]1F ZINC001160650452 831876272 /nfs/dbraw/zinc/87/62/72/831876272.db2.gz WOWJDZAAMYQSGI-ZHRONYKTSA-N 2 0 332.379 -0.006 20 0 EBADRP [NH3+][C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CN(c2ccccc2)C3)C[C@H]1O ZINC001160655473 831876710 /nfs/dbraw/zinc/87/67/10/831876710.db2.gz NEXFNTDFLFEBKZ-ZDRJDWQYSA-N 2 0 330.432 -0.367 20 0 EBADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001160670306 831877921 /nfs/dbraw/zinc/87/79/21/831877921.db2.gz WQVVNMCUVGPHQQ-CRAIPNDOSA-N 3 0 336.480 -0.101 20 0 EBADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001160696627 831878664 /nfs/dbraw/zinc/87/86/64/831878664.db2.gz XWMFWGKDQLRAIK-QWHCGFSZSA-N 2 0 333.440 -0.618 20 0 EBADRP CCOC(=O)[C@@H]1c2nc[nH]c2CCN1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001160788475 831886815 /nfs/dbraw/zinc/88/68/15/831886815.db2.gz RHPPVNBXKBOOJR-OCCSQVGLSA-N 2 0 335.408 -0.275 20 0 EBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160791148 831887724 /nfs/dbraw/zinc/88/77/24/831887724.db2.gz XOZAQDVRWSULQL-KBPBESRZSA-N 2 0 326.441 -0.448 20 0 EBADRP CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160823517 831891916 /nfs/dbraw/zinc/89/19/16/831891916.db2.gz HSYNNSNEYQNPTB-SUYBPPKGSA-N 2 0 347.419 -0.402 20 0 EBADRP COc1cccnc1N1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001160845965 831894500 /nfs/dbraw/zinc/89/45/00/831894500.db2.gz BHCOZAAXNDSFBJ-CYBMUJFWSA-N 2 0 331.420 -0.452 20 0 EBADRP CC[C@H](C(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C)[NH+](C)C ZINC001160890136 831903788 /nfs/dbraw/zinc/90/37/88/831903788.db2.gz WBNVDSSRMQVQIH-CYBMUJFWSA-N 2 0 336.502 -0.296 20 0 EBADRP O=C(c1ccncc1)N1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001160936047 831908221 /nfs/dbraw/zinc/90/82/21/831908221.db2.gz FXBFUXCMAPRPPI-AWEZNQCLSA-N 2 0 329.404 -0.825 20 0 EBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001160951714 831909340 /nfs/dbraw/zinc/90/93/40/831909340.db2.gz OUQNBIOZHVIQLI-UHFFFAOYSA-N 2 0 342.484 -0.081 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2Cn3cnnc3C23CC[NH2+]CC3)CC(F)(F)C1 ZINC001160968653 831910992 /nfs/dbraw/zinc/91/09/92/831910992.db2.gz UEEBEAIQVOWABC-QWRGUYRKSA-N 2 0 340.378 -0.276 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161042139 831916281 /nfs/dbraw/zinc/91/62/81/831916281.db2.gz OWFUSZGKVVHZNE-HUUCEWRRSA-N 2 0 331.457 -0.410 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161033415 831916306 /nfs/dbraw/zinc/91/63/06/831916306.db2.gz QCUAWUORQBXPDY-STQMWFEESA-N 2 0 341.456 -0.199 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161042137 831916483 /nfs/dbraw/zinc/91/64/83/831916483.db2.gz OWFUSZGKVVHZNE-CABCVRRESA-N 2 0 331.457 -0.410 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)Nc1cnccn1 ZINC001161043307 831917263 /nfs/dbraw/zinc/91/72/63/831917263.db2.gz ZXKDISBWBKWCGV-ZDUSSCGKSA-N 2 0 334.424 -0.005 20 0 EBADRP CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C1CN(C)C1 ZINC001161137681 831929910 /nfs/dbraw/zinc/92/99/10/831929910.db2.gz GEAUCHFXXGCCMZ-GJZGRUSLSA-N 2 0 339.484 -0.404 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161210698 831937642 /nfs/dbraw/zinc/93/76/42/831937642.db2.gz ZNZSKTJWPIYANX-KRWDZBQOSA-N 3 0 337.512 -0.025 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001161226598 831938735 /nfs/dbraw/zinc/93/87/35/831938735.db2.gz KNTPTKDWICUENG-NSHDSACASA-N 2 0 329.445 -0.343 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]C[C@@H](O)COCCOC ZINC001161226681 831938878 /nfs/dbraw/zinc/93/88/78/831938878.db2.gz MONTWONVHXFPAS-CQSZACIVSA-N 2 0 333.473 -0.164 20 0 EBADRP CCS(=O)(=O)NC1CCN(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)CC1 ZINC001161259989 831941941 /nfs/dbraw/zinc/94/19/41/831941941.db2.gz DCZLQFRBZGXBNI-BZPMIXESSA-N 2 0 330.454 -0.862 20 0 EBADRP Cc1c[nH+]ccc1N1CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)CC1 ZINC001161306396 831946180 /nfs/dbraw/zinc/94/61/80/831946180.db2.gz KFPXTDUFXKCDSI-CYBMUJFWSA-N 2 0 334.424 -0.186 20 0 EBADRP COC(=O)[C@]1(C)COCCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001161374174 831951350 /nfs/dbraw/zinc/95/13/50/831951350.db2.gz UGAOHDCCFRBFPT-WFASDCNBSA-N 2 0 325.409 -0.349 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161378327 831951820 /nfs/dbraw/zinc/95/18/20/831951820.db2.gz MGPHQMBDQGLHAR-CABCVRRESA-N 2 0 339.484 -0.500 20 0 EBADRP CN(CCC(=O)NCCC[NH2+]Cc1nnnn1C)c1cc[nH+]cc1 ZINC001161408102 831954015 /nfs/dbraw/zinc/95/40/15/831954015.db2.gz PSYLAWUPNDXNMM-UHFFFAOYSA-N 2 0 332.412 -0.273 20 0 EBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C[C@H]12 ZINC001161413331 831956112 /nfs/dbraw/zinc/95/61/12/831956112.db2.gz PGPQIOIHQQIULD-XJFOESAGSA-N 2 0 341.477 -0.404 20 0 EBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161447300 831958054 /nfs/dbraw/zinc/95/80/54/831958054.db2.gz WYSBKKBQRPMLOV-KBPBESRZSA-N 3 0 345.513 -0.717 20 0 EBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161450024 831958881 /nfs/dbraw/zinc/95/88/81/831958881.db2.gz XZGAVOZCUQOOAI-CVEARBPZSA-N 3 0 341.500 -0.238 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)CC2 ZINC001161475974 831962288 /nfs/dbraw/zinc/96/22/88/831962288.db2.gz ABHKBVFVXGXUNJ-VBQJREDUSA-N 3 0 340.468 -0.201 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)C[C@H]1C[C@H]3C[NH2+]C[C@H]3O1)CC2 ZINC001161480861 831964584 /nfs/dbraw/zinc/96/45/84/831964584.db2.gz VPXQEYKLQKPWNR-BAHXQUAYSA-N 2 0 337.420 -0.493 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2Cn3ccnc3C23CC[NH2+]CC3)CC12COC2 ZINC001161501112 831966606 /nfs/dbraw/zinc/96/66/06/831966606.db2.gz SLBVBGPWYGFWKS-QWHCGFSZSA-N 2 0 331.420 -0.680 20 0 EBADRP [NH3+][C@@H](C(=O)N1C[C@@H]([NH3+])C2(COC2)C1)C1CCC2(CC1)OCCO2 ZINC001161509209 831967348 /nfs/dbraw/zinc/96/73/48/831967348.db2.gz ITVAGIGYYUSFPU-CHWSQXEVSA-N 2 0 325.409 -0.567 20 0 EBADRP [NH3+][C@@H](C(=O)N1C[C@H]([NH3+])C2(COC2)C1)C1CCC2(CC1)OCCO2 ZINC001161509211 831967936 /nfs/dbraw/zinc/96/79/36/831967936.db2.gz ITVAGIGYYUSFPU-QWHCGFSZSA-N 2 0 325.409 -0.567 20 0 EBADRP O=C(N1CC[C@@H](N2CCOCC2)[C@@H](F)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001161601690 831976898 /nfs/dbraw/zinc/97/68/98/831976898.db2.gz KAPLNTKNPNWIGU-JYYAWHABSA-N 2 0 340.443 -0.543 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2)N1CCOCC1 ZINC001161788914 831992423 /nfs/dbraw/zinc/99/24/23/831992423.db2.gz BACUXOFMXMCSIX-UHFFFAOYSA-N 2 0 338.452 -0.431 20 0 EBADRP COCC1(CNC(=O)COCC[NH+](C)C)CC[NH+](CCO)CC1 ZINC001162576650 832054354 /nfs/dbraw/zinc/05/43/54/832054354.db2.gz LRKQVAMNWXDCQE-UHFFFAOYSA-N 2 0 331.457 -0.598 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCC1 ZINC001162872039 832067338 /nfs/dbraw/zinc/06/73/38/832067338.db2.gz DYLBXJQMHNODBC-UUCFBXCCSA-N 2 0 336.436 -0.822 20 0 EBADRP O=C(NCCC[NH2+]CCn1cccn1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162857599 832067595 /nfs/dbraw/zinc/06/75/95/832067595.db2.gz QGHROGQWFFDNKE-ISXOHVOVSA-N 2 0 333.436 -0.158 20 0 EBADRP CCn1ncc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)n1 ZINC001162872363 832069261 /nfs/dbraw/zinc/06/92/61/832069261.db2.gz PORWMZNURDMKGW-GULBITTBSA-N 2 0 348.451 -0.243 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C(=O)N(C)C ZINC001162872618 832070078 /nfs/dbraw/zinc/07/00/78/832070078.db2.gz YKKQFDFNPVLSGG-PEUXKQIOSA-N 2 0 338.452 -0.578 20 0 EBADRP C[C@H]1CN(c2ccc(NCc3nnc4n3CCC[NH2+]C4)nn2)CC[NH2+]1 ZINC001163011984 832075091 /nfs/dbraw/zinc/07/50/91/832075091.db2.gz SVRHSRKGDZPNAZ-LBPRGKRZSA-N 2 0 343.439 -0.028 20 0 EBADRP CS(=O)(=O)c1nc2c(c(NCC3([NH3+])CCC3)n1)CC[NH2+]CC2 ZINC001163322128 832100756 /nfs/dbraw/zinc/10/07/56/832100756.db2.gz PDIRXGLNWMNMHS-UHFFFAOYSA-N 2 0 325.438 -0.138 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001163821181 832142573 /nfs/dbraw/zinc/14/25/73/832142573.db2.gz LLUPOLNLFYNYIK-NSHDSACASA-N 2 0 325.413 -0.848 20 0 EBADRP [NH3+]CCN(CCO)c1ccc(S(=O)(=O)C2CC[NH2+]CC2)cc1 ZINC001163837262 832144374 /nfs/dbraw/zinc/14/43/74/832144374.db2.gz XLRFMZAFPVNDMA-UHFFFAOYSA-N 2 0 327.450 -0.030 20 0 EBADRP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC001350524627 832173347 /nfs/dbraw/zinc/17/33/47/832173347.db2.gz GRCKZJPHTYTSPT-ZBFHGGJFSA-N 2 0 340.468 -0.140 20 0 EBADRP CN(c1cncc(OCC[NH+]2CCCC2)n1)S(=O)(=O)CC[NH3+] ZINC001164287174 832180908 /nfs/dbraw/zinc/18/09/08/832180908.db2.gz KSKZWDXFYQNUKZ-UHFFFAOYSA-N 2 0 329.426 -0.324 20 0 EBADRP CN(c1ncccc1C(=O)NCCC[NH+](C)C)S(=O)(=O)CC[NH3+] ZINC001164292036 832181464 /nfs/dbraw/zinc/18/14/64/832181464.db2.gz AGUPKTVBFXCMER-UHFFFAOYSA-N 2 0 343.453 -0.512 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001164574709 832198517 /nfs/dbraw/zinc/19/85/17/832198517.db2.gz XKKOKWUXKZLVML-HOCLYGCPSA-N 2 0 342.484 -0.035 20 0 EBADRP CNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001164596309 832200319 /nfs/dbraw/zinc/20/03/19/832200319.db2.gz DGAANNLJCKZDQB-ZIAGYGMSSA-N 2 0 338.452 -0.528 20 0 EBADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]CC(=O)NC2CCOCC2)CC1 ZINC001165252981 832208741 /nfs/dbraw/zinc/20/87/41/832208741.db2.gz DCFNPGFAHSKUHC-UHFFFAOYSA-N 2 0 340.468 -0.281 20 0 EBADRP C[NH+](C)Cc1ccoc1C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001165246980 832208842 /nfs/dbraw/zinc/20/88/42/832208842.db2.gz XQGYJWXBGVYEAE-LBPRGKRZSA-N 2 0 336.392 -0.144 20 0 EBADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]CCCN2C(=O)CNC2=O)CC1 ZINC001165263421 832209859 /nfs/dbraw/zinc/20/98/59/832209859.db2.gz PAMBPHXVBMJWIK-UHFFFAOYSA-N 2 0 339.440 -0.634 20 0 EBADRP CS(=O)(=O)c1nc2c(c(N3CC[C@H]4C[C@@]4([NH3+])C3)n1)CC[NH2+]CC2 ZINC001165325279 832215508 /nfs/dbraw/zinc/21/55/08/832215508.db2.gz VMJWVHQDRUIPNB-ZUZCIYMTSA-N 2 0 337.449 -0.504 20 0 EBADRP C[NH+](C)CCCC(=O)NCCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001165378205 832218552 /nfs/dbraw/zinc/21/85/52/832218552.db2.gz IFZAEQUKBPOUCW-UHFFFAOYSA-N 2 0 341.456 -0.246 20 0 EBADRP C[NH+](C)CCC(=O)NCCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001165788366 832237379 /nfs/dbraw/zinc/23/73/79/832237379.db2.gz HNXJMNPAJBGWHZ-HUUCEWRRSA-N 2 0 331.457 -0.410 20 0 EBADRP C[NH+]1CCC(C(=O)NCCC[NH2+]CCCN2C(=O)CNC2=O)CC1 ZINC001165775817 832237591 /nfs/dbraw/zinc/23/75/91/832237591.db2.gz AEWHPDOBLRZPBI-UHFFFAOYSA-N 2 0 339.440 -0.634 20 0 EBADRP C[NH+](C)CCC(=O)NCCC[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001165781122 832237706 /nfs/dbraw/zinc/23/77/06/832237706.db2.gz GYZDBPLLOLLREV-LLVKDONJSA-N 2 0 329.363 -0.026 20 0 EBADRP CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1)[NH+](C)C ZINC001166011152 832245692 /nfs/dbraw/zinc/24/56/92/832245692.db2.gz YJFSXIYNRQQUSW-GDBMZVCRSA-N 2 0 342.484 -0.179 20 0 EBADRP CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1)[NH+](C)C ZINC001166004274 832245749 /nfs/dbraw/zinc/24/57/49/832245749.db2.gz IKCOKSBPKXYRRX-GDBMZVCRSA-N 2 0 342.484 -0.036 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001166626091 832274636 /nfs/dbraw/zinc/27/46/36/832274636.db2.gz ALOUWFRXRGNICE-AWEZNQCLSA-N 2 0 348.513 -0.104 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)Nc2cnccn2)C1 ZINC001166667437 832278091 /nfs/dbraw/zinc/27/80/91/832278091.db2.gz BFHZEFJFPLJPKV-ZDUSSCGKSA-N 2 0 334.424 -0.147 20 0 EBADRP COCCCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166667805 832278214 /nfs/dbraw/zinc/27/82/14/832278214.db2.gz IUQLVFPRSONPTG-AWEZNQCLSA-N 2 0 328.457 -0.423 20 0 EBADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001166687070 832280138 /nfs/dbraw/zinc/28/01/38/832280138.db2.gz IITATJRPCGXYCD-OAHLLOKOSA-N 2 0 345.419 -0.510 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O ZINC001166714388 832282252 /nfs/dbraw/zinc/28/22/52/832282252.db2.gz KBLBRXGTNVABLX-CHWSQXEVSA-N 2 0 334.486 -0.829 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001166715180 832283679 /nfs/dbraw/zinc/28/36/79/832283679.db2.gz URNRMFZEQDVSHN-ZIAGYGMSSA-N 2 0 348.513 -0.391 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001166736029 832285496 /nfs/dbraw/zinc/28/54/96/832285496.db2.gz AJQWZVNPHPKJJG-UHFFFAOYSA-N 2 0 334.486 -0.637 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001166736438 832286032 /nfs/dbraw/zinc/28/60/32/832286032.db2.gz LGWSQHPYHCDRPL-UHFFFAOYSA-N 2 0 348.513 -0.247 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)NCCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001166744531 832286995 /nfs/dbraw/zinc/28/69/95/832286995.db2.gz YQHFZIFFRPFAGO-UHFFFAOYSA-N 2 0 338.452 -0.037 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC2(C[NH2+][C@H](C)C(N)=O)CC2)C1 ZINC001166814954 832290374 /nfs/dbraw/zinc/29/03/74/832290374.db2.gz VXNXVVKDPMNUSR-KGLIPLIRSA-N 2 0 340.468 -0.155 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001166865180 832295140 /nfs/dbraw/zinc/29/51/40/832295140.db2.gz CITFMOGFQKVYQI-NEPJUHHUSA-N 2 0 329.445 -0.343 20 0 EBADRP C[C@H](COCC(=O)NCCC[NH2+]CCn1cncn1)[NH+]1CCCC1 ZINC001166931888 832300063 /nfs/dbraw/zinc/30/00/63/832300063.db2.gz YOOSVOXISQIICL-OAHLLOKOSA-N 2 0 338.456 -0.125 20 0 EBADRP C[NH2+]CCN(C)C(=O)C(=O)N(C(C)=O)c1ccc2c(c1)C[NH2+]CC2 ZINC001352095151 832306264 /nfs/dbraw/zinc/30/62/64/832306264.db2.gz VNYDWNNDNFNUIE-UHFFFAOYSA-N 2 0 332.404 -0.110 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC1(C[NH2+]Cc2nnnn2C)CC1 ZINC001167235987 832319058 /nfs/dbraw/zinc/31/90/58/832319058.db2.gz FNRWYWDSRLYEJN-OLZOCXBDSA-N 2 0 335.456 -0.216 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1)C(=O)NC(N)=O ZINC001167620354 832360480 /nfs/dbraw/zinc/36/04/80/832360480.db2.gz RSPANYMHLIWLGK-OLZOCXBDSA-N 2 0 341.456 -0.070 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)CC1CC[NH+](C)CC1)C(=O)NC(N)=O ZINC001167667800 832362573 /nfs/dbraw/zinc/36/25/73/832362573.db2.gz MYCVSNSLQZYGAA-NSHDSACASA-N 2 0 327.429 -0.602 20 0 EBADRP CN1CC[C@@H]([NH2+]CCCNC(=O)c2cnn(CC[NH+](C)C)c2)C1=O ZINC001168052310 832390836 /nfs/dbraw/zinc/39/08/36/832390836.db2.gz PSACYTCXZYYAEQ-CQSZACIVSA-N 2 0 336.440 -0.615 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)c1cnn(CC[NH+](C)C)c1)c1nnnn1C ZINC001168051738 832390988 /nfs/dbraw/zinc/39/09/88/832390988.db2.gz HXKDNNGSCAUUQQ-GFCCVEGCSA-N 2 0 349.443 -0.561 20 0 EBADRP C[C@@H]([NH3+])CNC(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001353046549 832394676 /nfs/dbraw/zinc/39/46/76/832394676.db2.gz ANIVDHBFJWUANQ-RDTXWAMCSA-N 2 0 348.447 -0.455 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC2(C[NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001168138129 832399222 /nfs/dbraw/zinc/39/92/22/832399222.db2.gz RNRYDXHBSCZHIE-NSHDSACASA-N 2 0 325.413 -0.991 20 0 EBADRP O=C(C[NH+]1CCCC1)NCCC1(C[NH2+]CCN2CCNC2=O)CC1 ZINC001168162736 832400436 /nfs/dbraw/zinc/40/04/36/832400436.db2.gz SOSDCRDQFCCFPA-UHFFFAOYSA-N 2 0 337.468 -0.017 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC001353131225 832405889 /nfs/dbraw/zinc/40/58/89/832405889.db2.gz ICCZIDMORZWIHF-QLFBSQMISA-N 2 0 337.468 -0.861 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC001353251076 832418011 /nfs/dbraw/zinc/41/80/11/832418011.db2.gz CNGRKORQLWLMKW-SUMWQHHRSA-N 2 0 338.452 -0.719 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001168763503 832433981 /nfs/dbraw/zinc/43/39/81/832433981.db2.gz OTDKAKYKNIHEQG-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]CCCNS(=O)(=O)CC ZINC001168754907 832434320 /nfs/dbraw/zinc/43/43/20/832434320.db2.gz DSAPMEGWXTUHLK-UHFFFAOYSA-N 2 0 336.502 -0.247 20 0 EBADRP [NH3+]Cc1cccc(-c2nnn(-c3nccc(N4CC[NH2+]CC4)n3)n2)c1 ZINC001168877028 832438684 /nfs/dbraw/zinc/43/86/84/832438684.db2.gz USSRBUOGRMKLQW-UHFFFAOYSA-N 2 0 337.391 -0.012 20 0 EBADRP Cc1nc(CC[NH3+])nn1-c1ccc(C(=O)NC2CC[NH+](C)CC2)nn1 ZINC001168986483 832442167 /nfs/dbraw/zinc/44/21/67/832442167.db2.gz WPZICADJJCVSAR-UHFFFAOYSA-N 2 0 344.423 -0.309 20 0 EBADRP C[C@@H](CCCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169811136 832477326 /nfs/dbraw/zinc/47/73/26/832477326.db2.gz UHBPLQGDOCSRSB-STQMWFEESA-N 2 0 338.456 -0.033 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CC[N@H+](C)CC ZINC001170211970 832492252 /nfs/dbraw/zinc/49/22/52/832492252.db2.gz UHEQESLTXOQZIH-LBPRGKRZSA-N 2 0 329.445 -0.342 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001170222529 832493334 /nfs/dbraw/zinc/49/33/34/832493334.db2.gz MGZRMRXDQAZKKR-AWEZNQCLSA-N 2 0 348.513 -0.294 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001170233775 832493956 /nfs/dbraw/zinc/49/39/56/832493956.db2.gz QINDBTXKUQVFMT-CYBMUJFWSA-N 2 0 343.472 -0.983 20 0 EBADRP C[C@H]1CCCN(C(=O)C[NH2+]CCCNC(=O)COCC[NH+](C)C)C1 ZINC001171204837 832550338 /nfs/dbraw/zinc/55/03/38/832550338.db2.gz GREAFHBNIFRXKD-HNNXBMFYSA-N 2 0 342.484 -0.081 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001171198681 832550746 /nfs/dbraw/zinc/55/07/46/832550746.db2.gz RRUWPNIRIWSLCY-UHFFFAOYSA-N 2 0 336.436 -0.040 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+]CC(=O)Nc2nncs2)C1 ZINC001171215417 832551428 /nfs/dbraw/zinc/55/14/28/832551428.db2.gz CGDPTFXQILBWJC-LLVKDONJSA-N 2 0 340.453 -0.086 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CC(=O)Nc2nncs2)C1 ZINC001171215418 832551669 /nfs/dbraw/zinc/55/16/69/832551669.db2.gz CGDPTFXQILBWJC-NSHDSACASA-N 2 0 340.453 -0.086 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)COCC[NH+](C)C)C(=O)NC(C)(C)C ZINC001171218669 832552635 /nfs/dbraw/zinc/55/26/35/832552635.db2.gz RBGKCKKRYMYCBN-CYBMUJFWSA-N 2 0 330.473 -0.036 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)C12CC[NH+](CC1)C2)C(=O)Nc1ncccn1 ZINC001171311200 832555603 /nfs/dbraw/zinc/55/56/03/832555603.db2.gz OYLPOJJEGYGXFD-CYBMUJFWSA-N 2 0 346.435 -0.005 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171303658 832555649 /nfs/dbraw/zinc/55/56/49/832555649.db2.gz VJVJYJHVCABUTC-AWEZNQCLSA-N 2 0 340.468 -0.281 20 0 EBADRP C[NH+](C)CCCCC(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001171578515 832566099 /nfs/dbraw/zinc/56/60/99/832566099.db2.gz CBLXSNVAAJPUIS-UHFFFAOYSA-N 2 0 327.429 -0.634 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]CCOCCNC(C)=O ZINC001171725489 832574112 /nfs/dbraw/zinc/57/41/12/832574112.db2.gz MQRIDUJWSDNCMU-UHFFFAOYSA-N 2 0 330.473 -0.033 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CCCNS(=O)(=O)CC ZINC001171763246 832574846 /nfs/dbraw/zinc/57/48/46/832574846.db2.gz WIRBCYMHTSTSHE-UHFFFAOYSA-N 2 0 336.502 -0.247 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001171770382 832575723 /nfs/dbraw/zinc/57/57/23/832575723.db2.gz PHSQAJOJBBXUEL-LBPRGKRZSA-N 2 0 341.456 -0.199 20 0 EBADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001356099062 832599614 /nfs/dbraw/zinc/59/96/14/832599614.db2.gz NBJLNLVSSUPZFU-UHFFFAOYSA-N 2 0 340.468 -0.247 20 0 EBADRP CC[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NC(N)=O)[NH+](C)C ZINC001175317244 832621825 /nfs/dbraw/zinc/62/18/25/832621825.db2.gz NCJMBYXDJPZHGM-RYUDHWBXSA-N 2 0 329.445 -0.214 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC001356438401 832628839 /nfs/dbraw/zinc/62/88/39/832628839.db2.gz OZRBFIVGHNGXLS-HNNXBMFYSA-N 2 0 339.484 -0.673 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC001356449377 832630497 /nfs/dbraw/zinc/63/04/97/832630497.db2.gz QGPALXWSOYRWIW-RBSFLKMASA-N 2 0 339.484 -0.770 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NC(N)=O ZINC001175769375 832644562 /nfs/dbraw/zinc/64/45/62/832644562.db2.gz RMMFTLXYGYYKCV-LBPRGKRZSA-N 2 0 329.445 -0.212 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)C[NH+]1CCCC1)NC(=O)NC1CC1 ZINC001176102143 832657220 /nfs/dbraw/zinc/65/72/20/832657220.db2.gz BQDLHPGERSFDDI-UHFFFAOYSA-N 2 0 325.413 -0.834 20 0 EBADRP COC[C@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176110041 832657938 /nfs/dbraw/zinc/65/79/38/832657938.db2.gz IJJAKGAVSBKBBE-GJZGRUSLSA-N 2 0 331.457 -0.410 20 0 EBADRP CS(=O)(=O)N1CC[C@@H](C[NH2+]CCCNC(=O)C[NH+]2CCCC2)C1 ZINC001176110533 832658030 /nfs/dbraw/zinc/65/80/30/832658030.db2.gz VSXWKONJSAQHGN-AWEZNQCLSA-N 2 0 346.497 -0.540 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)C[NH+]2CCCC2)C[C@H](C)O1 ZINC001176117681 832658201 /nfs/dbraw/zinc/65/82/01/832658201.db2.gz DJBHDQSYMHBYLY-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001176156444 832660025 /nfs/dbraw/zinc/66/00/25/832660025.db2.gz KJLZFDYIIIFFSB-CQSZACIVSA-N 2 0 330.473 -0.035 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001176161762 832660254 /nfs/dbraw/zinc/66/02/54/832660254.db2.gz RNSNIBSYBNFHCZ-KBPBESRZSA-N 2 0 328.457 -0.473 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@@H](C)c1nnnn1C ZINC001176161033 832660542 /nfs/dbraw/zinc/66/05/42/832660542.db2.gz MAXACIURVORTHN-OLZOCXBDSA-N 2 0 339.444 -0.665 20 0 EBADRP CCn1ncnc1C[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176170373 832661320 /nfs/dbraw/zinc/66/13/20/832661320.db2.gz UQWGCMMGWHXOIJ-CQSZACIVSA-N 2 0 338.456 -0.138 20 0 EBADRP CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176598771 832681526 /nfs/dbraw/zinc/68/15/26/832681526.db2.gz CTDJHCFMTRDOAP-GJZGRUSLSA-N 2 0 342.484 -0.035 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001176972250 832722399 /nfs/dbraw/zinc/72/23/99/832722399.db2.gz SNDQDDRVPQAOLG-UHFFFAOYSA-N 2 0 334.486 -0.542 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001176971805 832722469 /nfs/dbraw/zinc/72/24/69/832722469.db2.gz IORQPYJLVNPQCS-AWEZNQCLSA-N 2 0 328.457 -0.282 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCNS(C)(=O)=O ZINC001178045346 832816902 /nfs/dbraw/zinc/81/69/02/832816902.db2.gz JBDQPSGRSLQCMT-AWEZNQCLSA-N 2 0 348.513 -0.104 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001178361411 832852950 /nfs/dbraw/zinc/85/29/50/832852950.db2.gz YORSNUINKCFATD-AVGNSLFASA-N 2 0 332.470 -0.791 20 0 EBADRP COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178356180 832853121 /nfs/dbraw/zinc/85/31/21/832853121.db2.gz JBZUXIJZFLQESL-KKUMJFAQSA-N 2 0 340.468 -0.188 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001178689801 832900947 /nfs/dbraw/zinc/90/09/47/832900947.db2.gz ZUWLRPIYQUITOF-AVGNSLFASA-N 2 0 339.440 -0.367 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCOCCO)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001178716194 832903854 /nfs/dbraw/zinc/90/38/54/832903854.db2.gz LQXWZZVRMYEURI-IMJJTQAJSA-N 2 0 325.453 -0.084 20 0 EBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CN1CCN(C(C)=O)CC1 ZINC001179035894 832945619 /nfs/dbraw/zinc/94/56/19/832945619.db2.gz MKUUBAAKLJIXCW-UHFFFAOYSA-N 2 0 326.445 -0.786 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCS(C)(=O)=O)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001179430666 832977520 /nfs/dbraw/zinc/97/75/20/832977520.db2.gz CIHTUQBZCOGNTK-STQMWFEESA-N 2 0 331.482 -0.048 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)NC2CCOCC2)CCN1C(=O)CC[NH+](C)C ZINC001179472189 832982442 /nfs/dbraw/zinc/98/24/42/832982442.db2.gz IBDQBPZWJISDBZ-ZFWWWQNUSA-N 2 0 340.468 -0.188 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@H](O)COCCOC)[C@@H]1C)[NH+](C)C ZINC001179553913 832988662 /nfs/dbraw/zinc/98/86/62/832988662.db2.gz FOHKEHNGSIOAOT-VGWMRTNUSA-N 2 0 345.484 -0.071 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@@H](O)COC)C[C@H]1OC ZINC001212487191 837698532 /nfs/dbraw/zinc/69/85/32/837698532.db2.gz WDEYLYCGXNNDOY-MGPQQGTHSA-N 2 0 331.457 -0.461 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001187106072 833901216 /nfs/dbraw/zinc/90/12/16/833901216.db2.gz AEWZXRIBNTZHOW-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187232204 833911828 /nfs/dbraw/zinc/91/18/28/833911828.db2.gz XDDKSCQPUMJELP-CQSZACIVSA-N 2 0 348.513 -0.152 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001187241439 833912276 /nfs/dbraw/zinc/91/22/76/833912276.db2.gz ZXSONVZGBIMNGP-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187843256 833973369 /nfs/dbraw/zinc/97/33/69/833973369.db2.gz ZRGFUAULNNLQRE-CQSZACIVSA-N 2 0 346.497 -0.398 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001187945388 833987757 /nfs/dbraw/zinc/98/77/57/833987757.db2.gz XJBDWNCGOLTGPF-YESZJQIVSA-N 2 0 337.464 -0.130 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001189126098 834128151 /nfs/dbraw/zinc/12/81/51/834128151.db2.gz CCPKRUYNRQWSGR-HRCADAONSA-N 2 0 325.453 -0.130 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189477995 834160947 /nfs/dbraw/zinc/16/09/47/834160947.db2.gz MNXGJQAIMWETRX-BFHYXJOUSA-N 2 0 336.436 -0.334 20 0 EBADRP Cn1cc(CN2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)nn1 ZINC001189802408 834192956 /nfs/dbraw/zinc/19/29/56/834192956.db2.gz YKLUUIGDBSFVLN-DZGCQCFKSA-N 2 0 336.440 -0.574 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001189907051 834207853 /nfs/dbraw/zinc/20/78/53/834207853.db2.gz RKRPZUJAZLAULM-LSDHHAIUSA-N 2 0 337.468 -0.114 20 0 EBADRP CO[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378460 837760482 /nfs/dbraw/zinc/76/04/82/837760482.db2.gz RPGMOUVMHRHKFW-BZUAXINKSA-N 2 0 343.468 -0.051 20 0 EBADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1OC)[NH+](CC)CC ZINC001213434625 837772067 /nfs/dbraw/zinc/77/20/67/837772067.db2.gz JEBVBVUVPJWENR-BZUAXINKSA-N 2 0 345.484 -0.069 20 0 EBADRP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001213456000 837778536 /nfs/dbraw/zinc/77/85/36/837778536.db2.gz YQWLJYZQRODBBJ-RRFJBIMHSA-N 2 0 329.441 -0.705 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([N@H+](C)CCN2CCNC2=O)C1 ZINC001192048143 834600087 /nfs/dbraw/zinc/60/00/87/834600087.db2.gz WJBWNONLOOGPKF-CQSZACIVSA-N 2 0 325.457 -0.114 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192141016 834616712 /nfs/dbraw/zinc/61/67/12/834616712.db2.gz ABERHQZJEQESMK-OLZOCXBDSA-N 2 0 341.456 -0.295 20 0 EBADRP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001213526284 837792850 /nfs/dbraw/zinc/79/28/50/837792850.db2.gz GKRILAYQDBCJDE-HZPDHXFCSA-N 2 0 343.468 -0.457 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)C[C@H](O)COCCOC)C1 ZINC001193291325 834826719 /nfs/dbraw/zinc/82/67/19/834826719.db2.gz IAMOSFFOLIGKLY-HOTGVXAUSA-N 2 0 345.484 -0.115 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@H]([N@H+](C)CCN2CCNC2=O)C1 ZINC001193487744 834887699 /nfs/dbraw/zinc/88/76/99/834887699.db2.gz DWQOWDBTTNIYDV-AWEZNQCLSA-N 2 0 341.456 -0.878 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCCNC2=O)C1 ZINC001193488994 834889634 /nfs/dbraw/zinc/88/96/34/834889634.db2.gz RGBWVAQEEOWBKV-KBPBESRZSA-N 2 0 326.441 -0.624 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCCNC2=O)C1 ZINC001193488998 834890002 /nfs/dbraw/zinc/89/00/02/834890002.db2.gz RGBWVAQEEOWBKV-ZIAGYGMSSA-N 2 0 326.441 -0.624 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193559062 834905885 /nfs/dbraw/zinc/90/58/85/834905885.db2.gz GYBUHKMDGYMONQ-CHWSQXEVSA-N 2 0 341.456 -0.166 20 0 EBADRP Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001193892574 834963608 /nfs/dbraw/zinc/96/36/08/834963608.db2.gz SRZCUXYBCMVQMR-USXIJHARSA-N 2 0 349.479 -0.002 20 0 EBADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)c1cncc(N2CC[NH+](C)CC2)c1 ZINC001193947934 834984729 /nfs/dbraw/zinc/98/47/29/834984729.db2.gz RXJZBBSWHZNVHI-UHFFFAOYSA-N 2 0 341.419 -0.035 20 0 EBADRP COCCOC[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194293711 835074643 /nfs/dbraw/zinc/07/46/43/835074643.db2.gz ITUFASRQZVPAPO-HOTGVXAUSA-N 2 0 345.484 -0.117 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194295569 835076314 /nfs/dbraw/zinc/07/63/14/835076314.db2.gz RAKYXGUEVYXAAY-STQMWFEESA-N 2 0 341.456 -0.297 20 0 EBADRP Cn1ccnc1CCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1O ZINC001194908806 835162132 /nfs/dbraw/zinc/16/21/32/835162132.db2.gz ICQRLSWBGLSJFS-RBSFLKMASA-N 2 0 336.436 -0.059 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001195865953 835301891 /nfs/dbraw/zinc/30/18/91/835301891.db2.gz RJQBQXQIPOHLNA-HZPDHXFCSA-N 2 0 325.453 -0.130 20 0 EBADRP C[C@H](COCC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O)[NH+]1CCCC1 ZINC001196250760 835377682 /nfs/dbraw/zinc/37/76/82/835377682.db2.gz BFNHOUZXQBTIGC-RBSFLKMASA-N 2 0 329.441 -0.969 20 0 EBADRP CC[C@H](C(=O)N1CCC[N@H+](C[C@@H](O)COCCOC)CC1)[NH+](C)C ZINC001196282921 835384784 /nfs/dbraw/zinc/38/47/84/835384784.db2.gz ZKRYKIMVUSDJKR-HZPDHXFCSA-N 2 0 345.484 -0.115 20 0 EBADRP C[C@H](COCC(=O)N1CCCN([C@@H](C)C(N)=O)CC1)[NH+]1CCCC1 ZINC001197187332 835520223 /nfs/dbraw/zinc/52/02/23/835520223.db2.gz DYOXGWJSURPHFZ-CABCVRRESA-N 2 0 340.468 -0.105 20 0 EBADRP COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197320340 835536731 /nfs/dbraw/zinc/53/67/31/835536731.db2.gz XXWGNXQBWUTEGN-BPLDGKMQSA-N 2 0 329.441 -0.707 20 0 EBADRP COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197320342 835537085 /nfs/dbraw/zinc/53/70/85/835537085.db2.gz XXWGNXQBWUTEGN-NWANDNLSSA-N 2 0 329.441 -0.707 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001198029166 835632862 /nfs/dbraw/zinc/63/28/62/835632862.db2.gz PAIUXHGABCGLDJ-RBSFLKMASA-N 2 0 340.468 -0.594 20 0 EBADRP COCCOC[C@H](O)C[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001198097926 835641221 /nfs/dbraw/zinc/64/12/21/835641221.db2.gz MBAQMVUYHGVPHO-JKSUJKDBSA-N 2 0 343.468 -0.504 20 0 EBADRP COCCOC[C@@H](O)C[N@@H+]1CCCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001198282813 835664453 /nfs/dbraw/zinc/66/44/53/835664453.db2.gz JKYYGFGCHMVNCQ-INIZCTEOSA-N 2 0 345.484 -0.115 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCCO[C@@H](C[NH2+]CCCO)C1 ZINC001200529372 835980573 /nfs/dbraw/zinc/98/05/73/835980573.db2.gz UIVUVFXPEWVPEK-JKSUJKDBSA-N 2 0 325.453 -0.082 20 0 EBADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)C(=O)NC(N)=O ZINC001200644845 836004074 /nfs/dbraw/zinc/00/40/74/836004074.db2.gz RVGFBPJAWLENDO-NQBHXWOUSA-N 2 0 339.440 -0.509 20 0 EBADRP CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001200658223 836010188 /nfs/dbraw/zinc/01/01/88/836010188.db2.gz IPTYENLFLQOQOH-CABCVRRESA-N 2 0 338.452 -0.434 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001200688771 836016546 /nfs/dbraw/zinc/01/65/46/836016546.db2.gz VUUKDYUIDNNSLD-GJZGRUSLSA-N 2 0 340.468 -0.058 20 0 EBADRP C[NH+](C)C1(C(=O)N2CCCO[C@@H](C[NH2+]CCOCCO)C2)CCC1 ZINC001200688865 836016620 /nfs/dbraw/zinc/01/66/20/836016620.db2.gz WZPSSBZRKVNNSY-HNNXBMFYSA-N 2 0 343.468 -0.313 20 0 EBADRP C[NH+](C)C1(C(=O)N2CCCO[C@H](C[NH2+]CCOCCO)C2)CCC1 ZINC001200688866 836016661 /nfs/dbraw/zinc/01/66/61/836016661.db2.gz WZPSSBZRKVNNSY-OAHLLOKOSA-N 2 0 343.468 -0.313 20 0 EBADRP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCCO1 ZINC001200688787 836016846 /nfs/dbraw/zinc/01/68/46/836016846.db2.gz VZIOVJDPCUTJOJ-LSDHHAIUSA-N 2 0 343.468 -0.315 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCCO1 ZINC001200688682 836017312 /nfs/dbraw/zinc/01/73/12/836017312.db2.gz TYKHIRXZRSKCPK-UONOGXRCSA-N 2 0 340.468 -0.188 20 0 EBADRP CC[C@H](C(=O)N1CCCO[C@@H](C[NH2+]CCOCCO)C1)[NH+](C)C ZINC001200794436 836036503 /nfs/dbraw/zinc/03/65/03/836036503.db2.gz CJQUKANAVZKAKK-LSDHHAIUSA-N 2 0 331.457 -0.457 20 0 EBADRP CC[C@H](C(=O)N1CCCO[C@H](C[NH2+]CC(=O)N2CCC2)C1)[NH+](C)C ZINC001200796386 836036774 /nfs/dbraw/zinc/03/67/74/836036774.db2.gz XGGJOJYGUNFQIG-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]([NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCCO1)C(N)=O ZINC001200887135 836061142 /nfs/dbraw/zinc/06/11/42/836061142.db2.gz IDXYOVNDBBIAFU-KGLIPLIRSA-N 2 0 338.452 -0.304 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1)C1CC1 ZINC001201052005 836085205 /nfs/dbraw/zinc/08/52/05/836085205.db2.gz CKJGAISHVNXLID-CQSZACIVSA-N 2 0 346.497 -0.544 20 0 EBADRP NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CCCO1 ZINC001201062119 836086039 /nfs/dbraw/zinc/08/60/39/836086039.db2.gz IDWMOHBYTJVVIB-HOCLYGCPSA-N 2 0 338.452 -0.447 20 0 EBADRP C[NH+](C)Cc1ccoc1C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001201260989 836119011 /nfs/dbraw/zinc/11/90/11/836119011.db2.gz NSYFXOJMIIBSGB-ZDUSSCGKSA-N 2 0 338.408 -0.353 20 0 EBADRP CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1)C(N)=O ZINC001201259516 836119027 /nfs/dbraw/zinc/11/90/27/836119027.db2.gz ARUJKAHYQBXJSJ-ZIAGYGMSSA-N 2 0 340.468 -0.201 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001201267367 836119943 /nfs/dbraw/zinc/11/99/43/836119943.db2.gz MUANJEUQYQTJLQ-GFCCVEGCSA-N 2 0 325.413 -0.754 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCCO[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001201277313 836122116 /nfs/dbraw/zinc/12/21/16/836122116.db2.gz QBQVIVNMBZQKGA-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)CCC[NH+](C)C)CCCO2)C1=O ZINC001201277455 836122172 /nfs/dbraw/zinc/12/21/72/836122172.db2.gz SRNIUWRUMBDALJ-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1 ZINC001201309966 836126863 /nfs/dbraw/zinc/12/68/63/836126863.db2.gz WHGOYNXTKOILTB-OAHLLOKOSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001201403085 836140601 /nfs/dbraw/zinc/14/06/01/836140601.db2.gz HMXFUKYUIMFMMF-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+]1CCC(CC(=O)N2CCCO[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001201567814 836160807 /nfs/dbraw/zinc/16/08/07/836160807.db2.gz BTOYTFNJMPRECB-CQSZACIVSA-N 2 0 326.441 -0.589 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001201678862 836174942 /nfs/dbraw/zinc/17/49/42/836174942.db2.gz QSVYTVFWZUQWGU-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201872178 836208860 /nfs/dbraw/zinc/20/88/60/836208860.db2.gz LVOZIFQISITPPC-KBPBESRZSA-N 2 0 338.452 -0.576 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201872182 836209043 /nfs/dbraw/zinc/20/90/43/836209043.db2.gz LVOZIFQISITPPC-KGLIPLIRSA-N 2 0 338.452 -0.576 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201872868 836210055 /nfs/dbraw/zinc/21/00/55/836210055.db2.gz SLVFGEAHQRBPRR-CQSZACIVSA-N 2 0 338.452 -0.623 20 0 EBADRP C[C@H]([NH2+]C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CCCO1)C(N)=O ZINC001201872446 836210676 /nfs/dbraw/zinc/21/06/76/836210676.db2.gz OTUZBSJCFSWSIZ-STQMWFEESA-N 2 0 349.435 -0.158 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCCC[NH+](C)C)CCCO1 ZINC001201907902 836213613 /nfs/dbraw/zinc/21/36/13/836213613.db2.gz FANWPZFZVDKZHG-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001201924601 836216665 /nfs/dbraw/zinc/21/66/65/836216665.db2.gz PUUDVNQEAYNECD-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202051067 836242544 /nfs/dbraw/zinc/24/25/44/836242544.db2.gz ZFVMJCHFYHPTOY-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CCn3cncn3)C2)C1 ZINC001202058279 836244036 /nfs/dbraw/zinc/24/40/36/836244036.db2.gz JPOMJLNMJHJDQF-CABCVRRESA-N 2 0 336.440 -0.563 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCCO[C@H](C[NH2+]CCOCCO)C2)C1 ZINC001202059907 836247199 /nfs/dbraw/zinc/24/71/99/836247199.db2.gz SOPXDXHLHVVQIY-LSDHHAIUSA-N 2 0 329.441 -0.846 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001202148242 836263222 /nfs/dbraw/zinc/26/32/22/836263222.db2.gz SJGMSIUJVKSZGZ-KBPBESRZSA-N 2 0 326.441 -0.447 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001202163613 836265497 /nfs/dbraw/zinc/26/54/97/836265497.db2.gz HITNBKUIFQNGRO-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCCO[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001202165565 836266277 /nfs/dbraw/zinc/26/62/77/836266277.db2.gz RRHNGRIXMDKEGR-OAHLLOKOSA-N 2 0 338.456 -0.138 20 0 EBADRP CC[C@@H](C(=O)N1CCC([NH2+]CCN(C)S(C)(=O)=O)CC1)[NH+](C)C ZINC001202531373 836312108 /nfs/dbraw/zinc/31/21/08/836312108.db2.gz GCTQREVFKNXPHC-AWEZNQCLSA-N 2 0 348.513 -0.201 20 0 EBADRP CN(C)C(=O)C[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001203013587 836383541 /nfs/dbraw/zinc/38/35/41/836383541.db2.gz BLJQSUAXEWZEDR-UHFFFAOYSA-N 2 0 339.484 -0.755 20 0 EBADRP CNC(=O)C[NH2+]C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001203079848 836393785 /nfs/dbraw/zinc/39/37/85/836393785.db2.gz WNQONCJQNVWARD-UHFFFAOYSA-N 2 0 326.441 -0.576 20 0 EBADRP COC[C@H](O)C[NH2+]C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001203079593 836394584 /nfs/dbraw/zinc/39/45/84/836394584.db2.gz UPNAGDIBANAZFP-OAHLLOKOSA-N 2 0 343.468 -0.315 20 0 EBADRP CN1CCC[C@H]([NH2+]C2CCN(C(=O)COCC[NH+](C)C)CC2)C1=O ZINC001203349239 836423475 /nfs/dbraw/zinc/42/34/75/836423475.db2.gz JZILDFQGNMOLJR-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP CCN(C)C(=O)C[NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001203349708 836424714 /nfs/dbraw/zinc/42/47/14/836424714.db2.gz YAUVIFLRBVBGQZ-UHFFFAOYSA-N 2 0 328.457 -0.377 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)C12CCC2 ZINC001203359158 836426228 /nfs/dbraw/zinc/42/62/28/836426228.db2.gz OOPNZDJAXDZEOI-STQMWFEESA-N 2 0 346.497 -0.496 20 0 EBADRP C[C@H]([NH2+]C1CCN(C(=O)CCCC[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001203408537 836428986 /nfs/dbraw/zinc/42/89/86/836428986.db2.gz ZNSPTNKBUCPZKP-LBPRGKRZSA-N 2 0 341.456 -0.118 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCC([NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001203443505 836432025 /nfs/dbraw/zinc/43/20/25/836432025.db2.gz VGMOLIJJLYHPFZ-GFCCVEGCSA-N 2 0 341.456 -0.118 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC([NH2+]C[C@H](O)COCCOC)CC1 ZINC001203459220 836433112 /nfs/dbraw/zinc/43/31/12/836433112.db2.gz APKBLGBDWMSMDG-INIZCTEOSA-N 2 0 345.484 -0.067 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001203692817 836461807 /nfs/dbraw/zinc/46/18/07/836461807.db2.gz LROFZSQELLGYFA-LBPRGKRZSA-N 2 0 339.440 -0.636 20 0 EBADRP CN(CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)S(C)(=O)=O ZINC001203699362 836463009 /nfs/dbraw/zinc/46/30/09/836463009.db2.gz JBOMWXZFPUXECN-CYBMUJFWSA-N 2 0 346.497 -0.590 20 0 EBADRP C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(=O)NC(N)=O ZINC001204798946 836530203 /nfs/dbraw/zinc/53/02/03/836530203.db2.gz PERJYUDASWXFHT-YPMHNXCESA-N 2 0 339.440 -0.508 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC(C[NH2+]CCN2C(=O)CCC2=O)CC1 ZINC001206138941 836626246 /nfs/dbraw/zinc/62/62/46/836626246.db2.gz VNCHEINZUSCJHM-UHFFFAOYSA-N 2 0 338.452 -0.085 20 0 EBADRP C[C@@H](COCC(=O)N1CCC(C[NH2+]CC(N)=O)CC1)[NH+]1CCCC1 ZINC001206319461 836640147 /nfs/dbraw/zinc/64/01/47/836640147.db2.gz GFIBNBYMAXVKMC-AWEZNQCLSA-N 2 0 340.468 -0.199 20 0 EBADRP [NH3+]C[C@H]1CN(Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)C[C@@H]1O ZINC001206518622 836652371 /nfs/dbraw/zinc/65/23/71/836652371.db2.gz AMBKVRLMXMJLPL-HOCLYGCPSA-N 2 0 330.436 -0.052 20 0 EBADRP CCN(C)C(=O)C[NH2+]CC1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001206873566 836685747 /nfs/dbraw/zinc/68/57/47/836685747.db2.gz CKAVFWUZRXZEDP-UHFFFAOYSA-N 2 0 342.484 -0.129 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC(C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001206930239 836716364 /nfs/dbraw/zinc/71/63/64/836716364.db2.gz YXGSKYFWMIBLSB-KBPBESRZSA-N 2 0 340.468 -0.343 20 0 EBADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1C)[NH+](C)C ZINC001207698243 836847097 /nfs/dbraw/zinc/84/70/97/836847097.db2.gz WUGOTAOFSOMSPZ-JHJVBQTASA-N 2 0 339.440 -0.685 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]([NH2+]CCOCCO)C1 ZINC001208063834 836938596 /nfs/dbraw/zinc/93/85/96/836938596.db2.gz WVIXWPDYGOLRNW-HZPDHXFCSA-N 2 0 325.453 -0.082 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001208066398 836939427 /nfs/dbraw/zinc/93/94/27/836939427.db2.gz XHHJNTMUEHSUBF-CYBMUJFWSA-N 2 0 336.440 -0.615 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001208638591 837094577 /nfs/dbraw/zinc/09/45/77/837094577.db2.gz JCXOIIFAEFURRG-DLOXAQCQSA-N 2 0 336.436 -0.824 20 0 EBADRP COC(=O)[C@@H](C)C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001208712281 837102288 /nfs/dbraw/zinc/10/22/88/837102288.db2.gz KRALNGANTGWMHU-RRFJBIMHSA-N 2 0 341.452 -0.094 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO ZINC001209274872 837147878 /nfs/dbraw/zinc/14/78/78/837147878.db2.gz PUVHSWYBYUBKRE-QLFBSQMISA-N 2 0 333.473 -0.715 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CCC[C@H]([NH2+]CCN3CCNC3=O)C2)CC1 ZINC001209301997 837154089 /nfs/dbraw/zinc/15/40/89/837154089.db2.gz BCTAVEHPANOHMU-AWEZNQCLSA-N 2 0 337.468 -0.066 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(=O)NC(N)=O ZINC001209302144 837154289 /nfs/dbraw/zinc/15/42/89/837154289.db2.gz CRGIHNAHOSZLFM-NWDGAFQWSA-N 2 0 339.440 -0.508 20 0 EBADRP CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001209474745 837169504 /nfs/dbraw/zinc/16/95/04/837169504.db2.gz KBEUPGBUYKEFNR-WCQYABFASA-N 2 0 327.429 -0.652 20 0 EBADRP C[C@H](COCC(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001209714668 837193486 /nfs/dbraw/zinc/19/34/86/837193486.db2.gz ADERBVTWNGYOHY-ZIAGYGMSSA-N 2 0 326.441 -0.447 20 0 EBADRP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001209715780 837193591 /nfs/dbraw/zinc/19/35/91/837193591.db2.gz LFUBQGYETZDFGZ-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001210484835 837289766 /nfs/dbraw/zinc/28/97/66/837289766.db2.gz FAUBYJNBFAHVAT-MGPQQGTHSA-N 2 0 338.452 -0.040 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001210674576 837317291 /nfs/dbraw/zinc/31/72/91/837317291.db2.gz ZNWANJAHHCBXTH-KGLIPLIRSA-N 2 0 331.482 -0.047 20 0 EBADRP CN1CCC[C@@H]([NH2+][C@H]2CCCN(C(=O)COCC[NH+](C)C)C2)C1=O ZINC001210685305 837320008 /nfs/dbraw/zinc/32/00/08/837320008.db2.gz SFSRDJBIRNEKBN-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)COCC[NH+](C)C)C1)C(=O)N(C)C ZINC001210685798 837320695 /nfs/dbraw/zinc/32/06/95/837320695.db2.gz ZTUUFBNLJKJLRX-KBPBESRZSA-N 2 0 328.457 -0.378 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001211071100 837378766 /nfs/dbraw/zinc/37/87/66/837378766.db2.gz GSOYLYFMEOOZBC-KBPBESRZSA-N 2 0 331.482 -0.047 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001211072579 837379394 /nfs/dbraw/zinc/37/93/94/837379394.db2.gz UDLHXJSFHAEEDM-OLZOCXBDSA-N 2 0 332.470 -0.932 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211082927 837383649 /nfs/dbraw/zinc/38/36/49/837383649.db2.gz ZXYMDPAXHASAEU-ZDUSSCGKSA-N 2 0 339.440 -0.492 20 0 EBADRP CO[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730011 837853384 /nfs/dbraw/zinc/85/33/84/837853384.db2.gz BGOPFHDHLUGIMH-BZUAXINKSA-N 2 0 343.468 -0.051 20 0 EBADRP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001213863191 837887313 /nfs/dbraw/zinc/88/73/13/837887313.db2.gz HBVFABUZYDELJU-RRFJBIMHSA-N 2 0 329.441 -0.848 20 0 EBADRP C[C@H]1C[N@H+](CCCN2C(=O)CNC2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC001319716608 838170935 /nfs/dbraw/zinc/17/09/35/838170935.db2.gz IOLFSIWPHFJDFZ-LSDHHAIUSA-N 2 0 337.468 -0.114 20 0 EBADRP Cc1noc(CCC[NH2+]C[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001320295458 838747762 /nfs/dbraw/zinc/74/77/62/838747762.db2.gz JTPAPHIKUDWXDU-CYBMUJFWSA-N 2 0 337.424 -0.527 20 0 EBADRP O=C(NC[C@H](O)C[NH2+]CCC[C@@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001320296527 838749386 /nfs/dbraw/zinc/74/93/86/838749386.db2.gz SCJGQCCSMIMDQW-HUUCEWRRSA-N 2 0 325.453 -0.034 20 0 EBADRP C[C@H](CC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001320450669 838773051 /nfs/dbraw/zinc/77/30/51/838773051.db2.gz QLHCOAMSLVGCIZ-CHWSQXEVSA-N 2 0 338.456 -0.033 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CCN1C(=O)CCC1=O ZINC001321199713 838934478 /nfs/dbraw/zinc/93/44/78/838934478.db2.gz JKJSICYTGBUZGL-XGACYXMMSA-N 2 0 336.436 -0.118 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NC(N)=O ZINC001321279686 838948710 /nfs/dbraw/zinc/94/87/10/838948710.db2.gz JYVWHWKQCJHIAN-IHVVCDCBSA-N 2 0 339.440 -0.294 20 0 EBADRP C[C@H](C[NH2+]CCN1CCCS1(=O)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001321480158 838999448 /nfs/dbraw/zinc/99/94/48/838999448.db2.gz YWCCZHBRZFGCTC-CHWSQXEVSA-N 2 0 332.470 -0.790 20 0 EBADRP C[C@H](C[NH2+]CCN1C(=O)CNC1=O)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001321543409 839014966 /nfs/dbraw/zinc/01/49/66/839014966.db2.gz OWDDSDCSDCXRFB-OLZOCXBDSA-N 2 0 339.440 -0.493 20 0 EBADRP C[C@H](C[NH2+]CCN1CCNC1=O)NC(=O)COC1CC[NH+](C)CC1 ZINC001321696894 839056221 /nfs/dbraw/zinc/05/62/21/839056221.db2.gz OGAUUUVMSYLRPD-CYBMUJFWSA-N 2 0 341.456 -0.783 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001322102508 839138837 /nfs/dbraw/zinc/13/88/37/839138837.db2.gz AUYSWSMJINUIMU-UHFFFAOYSA-N 2 0 341.500 -0.460 20 0 EBADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001323421179 839437856 /nfs/dbraw/zinc/43/78/56/839437856.db2.gz OWNOLFXHFWMSBW-OAHLLOKOSA-N 2 0 339.484 -0.663 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCN3C(=O)CNC3=O)CC2)CC[N@@H+]1C ZINC001323443299 839442891 /nfs/dbraw/zinc/44/28/91/839442891.db2.gz QLUIZBQADGQYRR-VXGBXAGGSA-N 2 0 337.424 -0.883 20 0 EBADRP COc1ccnc(C[NH2+]CCN(CCO)C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001326148181 840049566 /nfs/dbraw/zinc/04/95/66/840049566.db2.gz ZDEGTYLWYKYYQD-CQSZACIVSA-N 2 0 336.436 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/nfs/dbraw/zinc/77/07/32/840770732.db2.gz LVXIYBTYDVKUHM-BCLQGDPASA-N 2 0 325.453 -0.179 20 0 EBADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001329565039 840953402 /nfs/dbraw/zinc/95/34/02/840953402.db2.gz FNBBSHGAEMGHGE-UHFFFAOYSA-N 2 0 339.484 -0.707 20 0 EBADRP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)CCN1C(=O)CNC1=O)[NH+](C)C ZINC001329592658 840959720 /nfs/dbraw/zinc/95/97/20/840959720.db2.gz SFOGFKGARCNBSB-NWDGAFQWSA-N 2 0 327.429 -0.685 20 0 EBADRP CC(=O)N(C(=O)C(=O)N1CC[NH2+]CC1)c1ccc2c(c1)C[NH2+]CC2 ZINC001329701137 840994066 /nfs/dbraw/zinc/99/40/66/840994066.db2.gz GLVCAGQSPJTZPD-UHFFFAOYSA-N 2 0 330.388 -0.356 20 0 EBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001329841385 841038272 /nfs/dbraw/zinc/03/82/72/841038272.db2.gz DQXXUIPPGSBPTK-TZMCWYRMSA-N 2 0 326.441 -0.530 20 0 EBADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC001330025005 841096880 /nfs/dbraw/zinc/09/68/80/841096880.db2.gz VOUVCGIBRJNCSO-CQSZACIVSA-N 2 0 337.468 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ZINC001331490027 841415376 /nfs/dbraw/zinc/41/53/76/841415376.db2.gz UHCWYRUSBZEBTI-UHFFFAOYSA-N 2 0 345.447 -0.862 20 0 EBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001331572642 841428922 /nfs/dbraw/zinc/42/89/22/841428922.db2.gz COQQVCVVXIYICT-ILXRZTDVSA-N 2 0 338.452 -0.570 20 0 EBADRP CC[NH2+]CCCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001331877813 841524703 /nfs/dbraw/zinc/52/47/03/841524703.db2.gz YYWDICAWNYLKPI-UPJWGTAASA-N 2 0 325.413 -0.438 20 0 EBADRP C[NH+]1CCC(n2cc(NC(=O)C(=O)NCC[NH2+]C3CC3)cn2)CC1 ZINC001332119738 841577395 /nfs/dbraw/zinc/57/73/95/841577395.db2.gz KLYPMSQTGCCHKA-UHFFFAOYSA-N 2 0 334.424 -0.044 20 0 EBADRP CN(C[C@H](O)C[NH2+]CCNC(=O)C1CC1)C(=O)C12CC[NH+](CC1)C2 ZINC001332591073 841681745 /nfs/dbraw/zinc/68/17/45/841681745.db2.gz BLCFRHYOYITHKQ-CQSZACIVSA-N 2 0 338.452 -0.983 20 0 EBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC001333363348 841859071 /nfs/dbraw/zinc/85/90/71/841859071.db2.gz NLEQEHJSWBKSHA-BFHYXJOUSA-N 2 0 326.441 -0.448 20 0 EBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001334387527 842047228 /nfs/dbraw/zinc/04/72/28/842047228.db2.gz RSFPTAHDKLPNBV-OAHLLOKOSA-N 2 0 339.484 -0.720 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@H]2CCN2C)CCCO1 ZINC001334889384 842144412 /nfs/dbraw/zinc/14/44/12/842144412.db2.gz YPHMRBOISZZBFM-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CC1 ZINC001335207115 842225480 /nfs/dbraw/zinc/22/54/80/842225480.db2.gz PHDUGQLNWYBDJF-ZDUSSCGKSA-N 2 0 326.441 -0.589 20 0 EBADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC001335214581 842228031 /nfs/dbraw/zinc/22/80/31/842228031.db2.gz AIPMABYEGZJGNP-HIFRSBDPSA-N 2 0 338.452 -0.447 20 0 EBADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC001336135308 842403477 /nfs/dbraw/zinc/40/34/77/842403477.db2.gz HQYJEGIGZNZPCL-IRXDYDNUSA-N 2 0 329.485 -0.104 20 0 EBADRP CO[C@H]1C[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001336179386 842412769 /nfs/dbraw/zinc/41/27/69/842412769.db2.gz HOWIJDLHCFOULK-OKILXGFUSA-N 2 0 328.457 -0.521 20 0 EBADRP [NH3+]C1CCN(CCNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC001336573889 842497209 /nfs/dbraw/zinc/49/72/09/842497209.db2.gz SGPPBIIJRYIVOW-ZDUSSCGKSA-N 2 0 337.468 -0.874 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC001336627230 842518201 /nfs/dbraw/zinc/51/82/01/842518201.db2.gz DSYIGAXOMHLKLL-AWEZNQCLSA-N 2 0 325.457 -0.920 20 0 EBADRP CCN(C(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[C@H]1CC[NH2+]C1 ZINC001337339626 842603988 /nfs/dbraw/zinc/60/39/88/842603988.db2.gz SMMVMGIYHUPQKJ-LSDHHAIUSA-N 2 0 340.468 -0.330 20 0 EBADRP O=C(NCC1=CC[NH2+]CC1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001337943733 842723115 /nfs/dbraw/zinc/72/31/15/842723115.db2.gz SKTLQYFYPNIYED-MCIONIFRSA-N 2 0 335.408 -0.517 20 0 EBADRP [NH3+]CCCOC1CCN(C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC001338688843 842861127 /nfs/dbraw/zinc/86/11/27/842861127.db2.gz WMIMWBNGNPDVAB-UHFFFAOYSA-N 2 0 327.473 -0.051 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12 ZINC001340821050 843034142 /nfs/dbraw/zinc/03/41/42/843034142.db2.gz JGXJBUOEGRICDO-HZSPNIEDSA-N 2 0 347.481 -0.906 20 0 EBADRP C[C@@H]1CN(CCNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)[C@@H](C)CO1 ZINC001342106139 843140047 /nfs/dbraw/zinc/14/00/47/843140047.db2.gz HCQWYOBWZNOBTO-MJBXVCDLSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@@H]1CN(CCNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)[C@H](C)CO1 ZINC001342106137 843140343 /nfs/dbraw/zinc/14/03/43/843140343.db2.gz HCQWYOBWZNOBTO-MGPQQGTHSA-N 2 0 326.441 -0.591 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001342462221 843163727 /nfs/dbraw/zinc/16/37/27/843163727.db2.gz RPZKOQSVVUEHTK-AWEZNQCLSA-N 2 0 340.468 -0.377 20 0 EBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC001343438655 843236431 /nfs/dbraw/zinc/23/64/31/843236431.db2.gz ICDQMUVJHUJQCV-GJZGRUSLSA-N 2 0 338.452 -0.636 20 0 EBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001344775897 843333942 /nfs/dbraw/zinc/33/39/42/843333942.db2.gz ZSWYMCUSCSQTSP-RRFJBIMHSA-N 2 0 338.452 -0.624 20 0 EBADRP Cc1noc([C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC001345570822 843407968 /nfs/dbraw/zinc/40/79/68/843407968.db2.gz JTUMOJSDDFPFKD-NSHDSACASA-N 2 0 340.428 -0.493 20 0 EBADRP [NH3+]CCN(CC(=O)NCCCN1CC[NH2+]CC1)Cc1ccccc1 ZINC001345993141 843470302 /nfs/dbraw/zinc/47/03/02/843470302.db2.gz MYNHEKJYKSDVSC-UHFFFAOYSA-N 2 0 333.480 -0.141 20 0 EBADRP COCCOCCN1CC[NH+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC001346143271 843480704 /nfs/dbraw/zinc/48/07/04/843480704.db2.gz ZISZOHMIZIXZDH-MRXNPFEDSA-N 2 0 342.484 -0.536 20 0 EBADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001347107819 843593244 /nfs/dbraw/zinc/59/32/44/843593244.db2.gz DBTPXGXZNSWDHN-ARFHVFGLSA-N 3 0 325.501 -0.237 20 0 EBADRP Cn1ccc(NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC001348926242 843772306 /nfs/dbraw/zinc/77/23/06/843772306.db2.gz TUCYYIISWAFASN-CHWSQXEVSA-N 2 0 336.440 -0.444 20 0 EBADRP CC[C@H](C(=O)NCCNC(=O)[C@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC001349030127 843794877 /nfs/dbraw/zinc/79/48/77/843794877.db2.gz BCTDVFLFIZQIEF-ZIAGYGMSSA-N 2 0 328.457 -0.473 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001349993909 843956357 /nfs/dbraw/zinc/95/63/57/843956357.db2.gz DKNHFOZRBQPMMP-DHMWGJHJSA-N 2 0 338.452 -0.572 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]CCCO)cn1 ZINC001691278678 1125847543 /nfs/dbraw/zinc/84/75/43/1125847543.db2.gz LXXAOZGWOANXHH-XHSDSOJGSA-N 2 0 335.452 -0.219 20 0 EBADRP CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)[NH+](C)C ZINC001691472941 1125883562 /nfs/dbraw/zinc/88/35/62/1125883562.db2.gz HVWFFSVTLAIGLN-HZSPNIEDSA-N 2 0 338.452 -0.040 20 0 EBADRP CC(C)NC(=O)NCC[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001480936825 1125884802 /nfs/dbraw/zinc/88/48/02/1125884802.db2.gz RYZWFFQKNSGITC-UHFFFAOYSA-N 2 0 325.457 -0.162 20 0 EBADRP CC[C@@H](C(=O)NCCN(C)C(=O)[C@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC001408634901 1125896603 /nfs/dbraw/zinc/89/66/03/1125896603.db2.gz JSXNGSIPMDLWSQ-CABCVRRESA-N 2 0 342.484 -0.131 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CC[NH+](CCN3CCNC3=O)C2)C1 ZINC001481118781 1125925808 /nfs/dbraw/zinc/92/58/08/1125925808.db2.gz LTXVRHCABKYEFF-CABCVRRESA-N 2 0 337.468 -0.209 20 0 EBADRP CCOCCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001481124308 1125927478 /nfs/dbraw/zinc/92/74/78/1125927478.db2.gz ZKEURXAZWOEKRZ-HUUCEWRRSA-N 2 0 340.468 -0.471 20 0 EBADRP CN(CC[NH2+]CC(=O)NCc1cccnc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481314648 1125970908 /nfs/dbraw/zinc/97/09/08/1125970908.db2.gz JOHJNLZYNJDYIS-OAHLLOKOSA-N 2 0 333.436 -0.303 20 0 EBADRP CN(CC[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)C(=O)C[NH+]1CCCC1 ZINC001481315364 1125971089 /nfs/dbraw/zinc/97/10/89/1125971089.db2.gz XPHMEGLRGJCWQU-HNNXBMFYSA-N 2 0 348.451 -0.331 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CC[NH+](CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001481431572 1125988131 /nfs/dbraw/zinc/98/81/31/1125988131.db2.gz IQPDIJVLPDENQM-JHJVBQTASA-N 2 0 339.440 -0.650 20 0 EBADRP C[NH+](C)CCC(=O)NCC[C@@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001481448292 1125991585 /nfs/dbraw/zinc/99/15/85/1125991585.db2.gz XEQJXXCRGBCDKD-CQSZACIVSA-N 2 0 338.452 -0.085 20 0 EBADRP C[C@@H](O)C[NH+]1CCN(CCN(C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001481472198 1125998886 /nfs/dbraw/zinc/99/88/86/1125998886.db2.gz WGXIYQPMWVDDDY-OAHLLOKOSA-N 2 0 326.485 -0.215 20 0 EBADRP Cc1cncn1CC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001481492988 1126003136 /nfs/dbraw/zinc/00/31/36/1126003136.db2.gz PLXAANYDWWASBX-LBPRGKRZSA-N 2 0 336.396 -0.833 20 0 EBADRP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001481847840 1126061272 /nfs/dbraw/zinc/06/12/72/1126061272.db2.gz JBACZPUELXOTTM-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@@H]1CCCC[C@@]1(C[NH2+]CC(=O)NC(N)=O)NC(=O)CC[NH+](C)C ZINC001481962350 1126069590 /nfs/dbraw/zinc/06/95/90/1126069590.db2.gz QTZJPBGYTNMTRA-WBMJQRKESA-N 2 0 341.456 -0.212 20 0 EBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CCN(C)S(C)(=O)=O ZINC001482103636 1126078082 /nfs/dbraw/zinc/07/80/82/1126078082.db2.gz XJMGSOWVECQICD-BFHYXJOUSA-N 2 0 348.513 -0.440 20 0 EBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)NCc1cccnc1 ZINC001482169486 1126090179 /nfs/dbraw/zinc/09/01/79/1126090179.db2.gz TWVMSCGHHJUPQI-HOCLYGCPSA-N 2 0 347.463 -0.009 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001482284681 1126119128 /nfs/dbraw/zinc/11/91/28/1126119128.db2.gz QJLFGXBCXUHGNF-GFCCVEGCSA-N 2 0 341.456 -0.118 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001482355347 1126137224 /nfs/dbraw/zinc/13/72/24/1126137224.db2.gz FJCXFYBJXQRFMV-RYUDHWBXSA-N 2 0 329.445 -0.391 20 0 EBADRP C[C@H](C[NH2+]CC(=O)N1CCOCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482364342 1126138912 /nfs/dbraw/zinc/13/89/12/1126138912.db2.gz HNMAWXDHJBTPDN-KGLIPLIRSA-N 2 0 326.441 -0.767 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC[C@@H]1CCCO1)N(C)C(=O)C[NH+]1CCCC1 ZINC001482365986 1126139243 /nfs/dbraw/zinc/13/92/43/1126139243.db2.gz ZTAXNTRZOKOFGM-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[NH+](CCOCCO)CC3)C1 ZINC001280394737 1126178404 /nfs/dbraw/zinc/17/84/04/1126178404.db2.gz WVURFRRPNBMRJQ-OAHLLOKOSA-N 2 0 325.453 -0.129 20 0 EBADRP CC[N@H+](CCNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC001648970100 1126178847 /nfs/dbraw/zinc/17/88/47/1126178847.db2.gz GKEFTTFFTCJJFX-XBFCOCLRSA-N 2 0 329.466 -0.390 20 0 EBADRP CNC(=O)NC(=O)CN(C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482617295 1126239021 /nfs/dbraw/zinc/23/90/21/1126239021.db2.gz BAKPZMXPLUMIHG-UHFFFAOYSA-N 2 0 341.456 -0.293 20 0 EBADRP CCCNC(=O)NC(=O)CN(C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482618599 1126239632 /nfs/dbraw/zinc/23/96/32/1126239632.db2.gz GZEWGLJUEANQCU-CYBMUJFWSA-N 2 0 341.456 -0.293 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CC[N@H+](C)CCn1cncn1 ZINC001482649958 1126245286 /nfs/dbraw/zinc/24/52/86/1126245286.db2.gz PDOSUCRXTWIGLO-HNNXBMFYSA-N 2 0 338.456 -0.363 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCCC2)CC[N@@H+]1C ZINC001482731441 1126262460 /nfs/dbraw/zinc/26/24/60/1126262460.db2.gz ULIRRWVKSGJJFE-QLFBSQMISA-N 2 0 340.468 -0.594 20 0 EBADRP Cc1cc(C)n(CC[NH2+]C[C@H](O)CNC(=O)[C@H]2C[NH+]3CCC2CC3)n1 ZINC001482728449 1126268395 /nfs/dbraw/zinc/26/83/95/1126268395.db2.gz GPZIDARGKAUQHT-IRXDYDNUSA-N 2 0 349.479 -0.092 20 0 EBADRP Cc1cc(C)n(CC[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[NH+]3CCC2CC3)n1 ZINC001482728452 1126268580 /nfs/dbraw/zinc/26/85/80/1126268580.db2.gz GPZIDARGKAUQHT-SJORKVTESA-N 2 0 349.479 -0.092 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001482730334 1126269176 /nfs/dbraw/zinc/26/91/76/1126269176.db2.gz XBIMETPLYXNCHL-DZGCQCFKSA-N 2 0 340.468 -0.546 20 0 EBADRP Cn1cc(CC[NH2+]C[C@@H](O)CNC(=O)[C@H]2C[NH+]3CCC2CC3)cn1 ZINC001482730200 1126269327 /nfs/dbraw/zinc/26/93/27/1126269327.db2.gz UTERIBKFCYGZRD-CVEARBPZSA-N 2 0 335.452 -0.629 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001482730336 1126269375 /nfs/dbraw/zinc/26/93/75/1126269375.db2.gz XBIMETPLYXNCHL-UKRRQHHQSA-N 2 0 340.468 -0.546 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001482738372 1126272280 /nfs/dbraw/zinc/27/22/80/1126272280.db2.gz FCBQXZRUMGYCKM-UONOGXRCSA-N 2 0 326.441 -0.840 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)Nc2ccon2)C1 ZINC001482767171 1126277172 /nfs/dbraw/zinc/27/71/72/1126277172.db2.gz LKGLUMYKAHEDAU-RYUDHWBXSA-N 2 0 339.396 -0.978 20 0 EBADRP CC(C)(C(=O)NC[C@@H](O)C[NH2+]CCN1CCCC1=O)[NH+]1CCCC1 ZINC001482756865 1126278758 /nfs/dbraw/zinc/27/87/58/1126278758.db2.gz VOSTYEARFKYNGW-AWEZNQCLSA-N 2 0 340.468 -0.450 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CC2)CC[N@@H+]1C ZINC001482761150 1126279684 /nfs/dbraw/zinc/27/96/84/1126279684.db2.gz HFDVWLJAPQHYCQ-OBJOEFQTSA-N 2 0 326.441 -0.938 20 0 EBADRP CN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001482774141 1126284722 /nfs/dbraw/zinc/28/47/22/1126284722.db2.gz HLPLGXQCJVTSBK-KGLIPLIRSA-N 2 0 326.441 -0.984 20 0 EBADRP C[C@H](CC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CC[NH+]1CCCCC1 ZINC001482901945 1126300733 /nfs/dbraw/zinc/30/07/33/1126300733.db2.gz NVUJHMRSFUKTKV-CYBMUJFWSA-N 2 0 338.456 -0.031 20 0 EBADRP CCN(CC[NH2+][C@H]1CCNC1=O)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001482968830 1126307589 /nfs/dbraw/zinc/30/75/89/1126307589.db2.gz ZEJYWRURQMMCHW-KBPBESRZSA-N 2 0 326.441 -0.719 20 0 EBADRP CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001409268445 1126327940 /nfs/dbraw/zinc/32/79/40/1126327940.db2.gz BNKBROZERQLQFW-NFOMZHRRSA-N 2 0 340.468 -0.425 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483161765 1126348805 /nfs/dbraw/zinc/34/88/05/1126348805.db2.gz QZKWMJABRLDXQM-LLVKDONJSA-N 2 0 327.429 -0.732 20 0 EBADRP C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@@H](C)[NH2+]Cc1cnnn1C ZINC001409422273 1126365915 /nfs/dbraw/zinc/36/59/15/1126365915.db2.gz YLDJLCPTSKSPNO-CHWSQXEVSA-N 2 0 338.456 -0.091 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001409481380 1126370624 /nfs/dbraw/zinc/37/06/24/1126370624.db2.gz WYHJNAQMFRRPDO-KBPBESRZSA-N 2 0 328.457 -0.332 20 0 EBADRP CCCNC(=O)NC(=O)CN(C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001409683835 1126391939 /nfs/dbraw/zinc/39/19/39/1126391939.db2.gz OUHOLKQEXRYAMR-CHWSQXEVSA-N 2 0 341.456 -0.390 20 0 EBADRP CCCNC(=O)NC(=O)CN(C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001409683855 1126391976 /nfs/dbraw/zinc/39/19/76/1126391976.db2.gz OUHOLKQEXRYAMR-QWHCGFSZSA-N 2 0 341.456 -0.390 20 0 EBADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1)C(=O)N(C)C ZINC001483240817 1126409531 /nfs/dbraw/zinc/40/95/31/1126409531.db2.gz UMXABBXYVLBIMB-UONOGXRCSA-N 2 0 342.484 -0.084 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001483255682 1126410698 /nfs/dbraw/zinc/41/06/98/1126410698.db2.gz LBFSPUKVMLSNLK-YNEHKIRRSA-N 2 0 341.456 -0.202 20 0 EBADRP C[C@@H](C[NH2+]Cc1cc(=O)n2[n-]ccc2n1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483260168 1126411328 /nfs/dbraw/zinc/41/13/28/1126411328.db2.gz BXYXLEIKZJIQDZ-LBPRGKRZSA-N 2 0 346.435 -0.041 20 0 EBADRP C[C@@H](C[NH2+]CCN1CCCS1(=O)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001483261570 1126411751 /nfs/dbraw/zinc/41/17/51/1126411751.db2.gz DMYWKYPBXNJUBU-ZDUSSCGKSA-N 2 0 346.497 -0.542 20 0 EBADRP C[C@@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001483272415 1126412480 /nfs/dbraw/zinc/41/24/80/1126412480.db2.gz WNMSHYJEMPDXOT-KBPBESRZSA-N 2 0 348.513 -0.106 20 0 EBADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)CC1CC[NH+](C)CC1)C(=O)NC(N)=O ZINC001483272441 1126412644 /nfs/dbraw/zinc/41/26/44/1126412644.db2.gz XSLASXHIJLAGDB-WDEREUQCSA-N 2 0 327.429 -0.604 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483284149 1126413500 /nfs/dbraw/zinc/41/35/00/1126413500.db2.gz BXNDCURFKWMWOG-RYUDHWBXSA-N 2 0 339.440 -0.589 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001483456097 1126428729 /nfs/dbraw/zinc/42/87/29/1126428729.db2.gz MOBKIBNWGNDGJA-VXGBXAGGSA-N 2 0 327.429 -0.637 20 0 EBADRP C[C@H](CN(C)CCN1CCCS1(=O)=O)NC(=O)C[NH+]1CCCC1 ZINC001483420040 1126426026 /nfs/dbraw/zinc/42/60/26/1126426026.db2.gz LDWQRWGHKSPLHU-CQSZACIVSA-N 2 0 346.497 -0.446 20 0 EBADRP C[C@H](CN(C)CC(=O)Nc1nncs1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483418006 1126426156 /nfs/dbraw/zinc/42/61/56/1126426156.db2.gz RJHIGRHWUIEVRI-GHMZBOCLSA-N 2 0 340.453 -0.135 20 0 EBADRP CN(CCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483508864 1126432164 /nfs/dbraw/zinc/43/21/64/1126432164.db2.gz COYZIJNVYSWGPT-UONOGXRCSA-N 2 0 331.482 -0.189 20 0 EBADRP CN1CC[NH2+]C[C@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC001649027261 1126471114 /nfs/dbraw/zinc/47/11/14/1126471114.db2.gz MFKATDSQNCOXMH-IRXDYDNUSA-N 2 0 332.448 -0.227 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001483756920 1126472580 /nfs/dbraw/zinc/47/25/80/1126472580.db2.gz MPZGTHBBAJCULJ-UHFFFAOYSA-N 2 0 339.440 -0.445 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CC(=O)NC(N)=O)C3)C2)C1 ZINC001483846552 1126481943 /nfs/dbraw/zinc/48/19/43/1126481943.db2.gz FQKDWKZQTNMPMX-MLGOLLRUSA-N 2 0 337.424 -0.943 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCN([C@H]2CC[NH+]([C@H](C)C(N)=O)C2)CC1 ZINC001484024744 1126498812 /nfs/dbraw/zinc/49/88/12/1126498812.db2.gz CAWZCSUQNIHKGJ-CABCVRRESA-N 2 0 339.484 -0.581 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCN([C@H]2CC[NH+](CCO)C2)CC1 ZINC001484026802 1126499265 /nfs/dbraw/zinc/49/92/65/1126499265.db2.gz XAGSBPHQUGITIP-INIZCTEOSA-N 2 0 326.485 -0.071 20 0 EBADRP C[NH+]1CCC(CC(=O)NCC2([NH2+]CC(N)=O)CCOCC2)CC1 ZINC001484188710 1126514583 /nfs/dbraw/zinc/51/45/83/1126514583.db2.gz BSFCWWXOMUIISP-UHFFFAOYSA-N 2 0 326.441 -0.541 20 0 EBADRP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484233939 1126533568 /nfs/dbraw/zinc/53/35/68/1126533568.db2.gz PKEVMRJTCZZDAT-MLGOLLRUSA-N 2 0 326.441 -0.984 20 0 EBADRP CO[C@H](C)C[N@@H+]1CC[C@@](O)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001484242988 1126538874 /nfs/dbraw/zinc/53/88/74/1126538874.db2.gz OPPSIQRTFOZKLU-RHSMWYFYSA-N 2 0 343.468 -0.315 20 0 EBADRP O=C(NCC[NH+]1CCC(NCc2cnon2)CC1)C12CC[NH+](CC1)C2 ZINC001484423236 1126573659 /nfs/dbraw/zinc/57/36/59/1126573659.db2.gz GODGMZVIUJMFPO-UHFFFAOYSA-N 2 0 348.451 -0.164 20 0 EBADRP O=C(N[C@@]1(CO)CCC[N@H+](CCn2cncn2)C1)C12CC[NH+](CC1)C2 ZINC001484448198 1126585873 /nfs/dbraw/zinc/58/58/73/1126585873.db2.gz SRYCWZFEGRVYRD-KRWDZBQOSA-N 2 0 348.451 -0.683 20 0 EBADRP CN1CC[C@H]([NH2+]CCN(CCO)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1=O ZINC001484485439 1126595424 /nfs/dbraw/zinc/59/54/24/1126595424.db2.gz JVWSKTLQPMZHJS-GJZGRUSLSA-N 2 0 340.468 -0.498 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001484496101 1126597756 /nfs/dbraw/zinc/59/77/56/1126597756.db2.gz VTLIHGMJOOOBLT-LSDHHAIUSA-N 2 0 342.484 -0.204 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]Cc2nc(=O)n(C)[nH]2)C1)[NH+](C)C ZINC001484538124 1126602899 /nfs/dbraw/zinc/60/28/99/1126602899.db2.gz UCKUPBGQCYCYGO-STQMWFEESA-N 2 0 338.456 -0.223 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1 ZINC001484676929 1126618473 /nfs/dbraw/zinc/61/84/73/1126618473.db2.gz GOGYCVGUMBSXMM-GJZGRUSLSA-N 2 0 338.452 -0.719 20 0 EBADRP C[NH+]1CCC(CC(=O)NC2(C[NH2+]CC(N)=O)CCOCC2)CC1 ZINC001484869655 1126647287 /nfs/dbraw/zinc/64/72/87/1126647287.db2.gz OEYVLABQPMXQRW-UHFFFAOYSA-N 2 0 326.441 -0.541 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CCOCC1 ZINC001484868257 1126648640 /nfs/dbraw/zinc/64/86/40/1126648640.db2.gz GOLGDNZVHCAUIQ-ZIAGYGMSSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@H]([NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCOCC1)C(N)=O ZINC001484868515 1126648760 /nfs/dbraw/zinc/64/87/60/1126648760.db2.gz PMIZJABLIKPBHW-LBPRGKRZSA-N 2 0 326.441 -0.543 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001484908247 1126652665 /nfs/dbraw/zinc/65/26/65/1126652665.db2.gz YRJBJNFIFHSCHA-QWHCGFSZSA-N 2 0 339.440 -0.636 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC(O)(C[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001484959556 1126659369 /nfs/dbraw/zinc/65/93/69/1126659369.db2.gz QYMNFKZUNNOOHQ-CYBMUJFWSA-N 2 0 326.441 -0.840 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCOC2(CC[NH+]([C@@H](C)C(N)=O)CC2)C1 ZINC001485008422 1126663325 /nfs/dbraw/zinc/66/33/25/1126663325.db2.gz YPYMKDCDBIIQMX-AWEZNQCLSA-N 2 0 340.468 -0.105 20 0 EBADRP C[NH+]1CCC(OCC(=O)NC2(CO)CC[NH+](CCCO)CC2)CC1 ZINC001485026154 1126667167 /nfs/dbraw/zinc/66/71/67/1126667167.db2.gz YUKFJJCQGSJDON-UHFFFAOYSA-N 2 0 343.468 -0.577 20 0 EBADRP CNC(=O)C[NH2+][C@H](CCN(C)C(=O)[C@@H]1CN(C)CCO1)C(C)C ZINC001485430850 1126716288 /nfs/dbraw/zinc/71/62/88/1126716288.db2.gz DVBFVVWSFQNKCR-KGLIPLIRSA-N 2 0 328.457 -0.474 20 0 EBADRP CC(=O)NCCOCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001485536701 1126748339 /nfs/dbraw/zinc/74/83/39/1126748339.db2.gz WINPVTVBSWXAAN-HIFRSBDPSA-N 2 0 340.468 -0.473 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001485705448 1126802841 /nfs/dbraw/zinc/80/28/41/1126802841.db2.gz SLNNYYWFHHUMNB-IHRRRGAJSA-N 2 0 326.441 -0.672 20 0 EBADRP O=C(N[C@H]1C[C@H](C[NH2+]C[C@@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001485701915 1126809958 /nfs/dbraw/zinc/80/99/58/1126809958.db2.gz BIVKTCQGLDZEIH-BZUAXINKSA-N 2 0 347.463 -0.176 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](C[NH2+]CCN3CCNC3=O)C2)C1 ZINC001485702699 1126811216 /nfs/dbraw/zinc/81/12/16/1126811216.db2.gz YRVQKWUOUKPYMN-KKUMJFAQSA-N 2 0 337.468 -0.162 20 0 EBADRP C[N@H+](CC(=O)NC(N)=O)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001485766849 1126828956 /nfs/dbraw/zinc/82/89/56/1126828956.db2.gz MBPDBPXWBKQREG-UHFFFAOYSA-N 2 0 325.413 -0.800 20 0 EBADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001649052964 1126865942 /nfs/dbraw/zinc/86/59/42/1126865942.db2.gz MBFMQVCUECMFPM-YVSFHVDLSA-N 2 0 336.480 -0.245 20 0 EBADRP C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCN2CCNC2=O)C1 ZINC001409944452 1126889743 /nfs/dbraw/zinc/88/97/43/1126889743.db2.gz OYBXYJPRBYOYLE-KGLIPLIRSA-N 2 0 337.468 -0.210 20 0 EBADRP C[C@@H](CN(C)C(=O)c1ccn(CC[NH+](C)C)n1)[NH2+][C@H]1CCNC1=O ZINC001485875735 1126904023 /nfs/dbraw/zinc/90/40/23/1126904023.db2.gz BJAIRJXGCICTFK-STQMWFEESA-N 2 0 336.440 -0.617 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001485913963 1126914393 /nfs/dbraw/zinc/91/43/93/1126914393.db2.gz IKADTJGBPQIFRX-LLVKDONJSA-N 2 0 327.429 -0.780 20 0 EBADRP C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]CC(=O)N1CCOCC1 ZINC001485920075 1126915926 /nfs/dbraw/zinc/91/59/26/1126915926.db2.gz QTDCBIFYAQOWJB-AWEZNQCLSA-N 2 0 340.468 -0.377 20 0 EBADRP CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001486034656 1127004738 /nfs/dbraw/zinc/00/47/38/1127004738.db2.gz SPALWOPWVIDEIR-WBMJQRKESA-N 2 0 346.447 -0.646 20 0 EBADRP Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)C23CC[NH+](CC2)C3)cc1=O ZINC001486051986 1127021419 /nfs/dbraw/zinc/02/14/19/1127021419.db2.gz APGLKYHUWLWEOS-CQSZACIVSA-N 2 0 334.420 -0.952 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)[C@@H]1C ZINC001486092227 1127031242 /nfs/dbraw/zinc/03/12/42/1127031242.db2.gz MTBHURYIGDSNFM-UONOGXRCSA-N 2 0 348.513 -0.201 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001486133362 1127043967 /nfs/dbraw/zinc/04/39/67/1127043967.db2.gz BJXVPNDPNLUHDT-CHWSQXEVSA-N 2 0 341.456 -0.249 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@]2(NC(=O)CCN3CCOCC3)CCC[C@@H]12 ZINC001486147797 1127048425 /nfs/dbraw/zinc/04/84/25/1127048425.db2.gz QLEUWNSJCSOBFK-RHSMWYFYSA-N 2 0 338.452 -0.432 20 0 EBADRP CN(C[C@@H](O)C[NH2+][C@H]1CCCNC1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001486281811 1127078218 /nfs/dbraw/zinc/07/82/18/1127078218.db2.gz VHKGNTIDJONZIQ-STQMWFEESA-N 2 0 326.441 -0.842 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001486304084 1127108727 /nfs/dbraw/zinc/10/87/27/1127108727.db2.gz YHEUJXDDTUXYPM-LSDHHAIUSA-N 2 0 342.484 -0.254 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)C[NH2+]C[C@H]1CCc2ncnn21 ZINC001486316871 1127118882 /nfs/dbraw/zinc/11/88/82/1127118882.db2.gz ADBNHPHZCHPNNG-ZIAGYGMSSA-N 2 0 338.456 -0.486 20 0 EBADRP CN(C[C@H](O)C[NH2+]Cc1ccn(C)c(=O)c1)C(=O)C[NH+]1CCCC1 ZINC001486317729 1127119616 /nfs/dbraw/zinc/11/96/16/1127119616.db2.gz QEPAICXBNXPVSV-OAHLLOKOSA-N 2 0 336.436 -0.610 20 0 EBADRP C[C@@H](O)CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001486356951 1127151185 /nfs/dbraw/zinc/15/11/85/1127151185.db2.gz TUXACVJOIAIAGY-HUUCEWRRSA-N 2 0 327.469 -0.006 20 0 EBADRP CC(C)(C)[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001486422136 1127169319 /nfs/dbraw/zinc/16/93/19/1127169319.db2.gz AUMBGDPPFLIXDV-NSHDSACASA-N 2 0 327.429 -0.602 20 0 EBADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC([NH2+]CCNS(C)(=O)=O)C1 ZINC001486475009 1127182602 /nfs/dbraw/zinc/18/26/02/1127182602.db2.gz WRLQCCOJFWPPGZ-RUXDESIVSA-N 2 0 346.497 -0.401 20 0 EBADRP CN(CC[NH2+]C[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001493600923 1127217697 /nfs/dbraw/zinc/21/76/97/1127217697.db2.gz SJMZWPWEOJTWHN-KGLIPLIRSA-N 2 0 331.482 -0.047 20 0 EBADRP C[C@H](C(=O)NC[C@H](O)CNC(=O)CC[NH+](C)C)[NH+]1CCCCCC1 ZINC001410106485 1127569445 /nfs/dbraw/zinc/56/94/45/1127569445.db2.gz FAXGHCJAMOUWHI-HUUCEWRRSA-N 2 0 342.484 -0.204 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001410125220 1127590345 /nfs/dbraw/zinc/59/03/45/1127590345.db2.gz IMMVMUUTZIDWOE-CHWSQXEVSA-N 2 0 326.441 -0.984 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001410228554 1127650043 /nfs/dbraw/zinc/65/00/43/1127650043.db2.gz QMSGFRDWZBXFJJ-AVGNSLFASA-N 2 0 339.440 -0.732 20 0 EBADRP COc1ccc(C[NH2+][C@@H](CO)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1 ZINC001410640594 1127785760 /nfs/dbraw/zinc/78/57/60/1127785760.db2.gz AUSWOYMFEBEKQW-BPLDGKMQSA-N 2 0 336.436 -0.003 20 0 EBADRP C[NH+](C)CC1(C(=O)NC[C@H](CO)[NH2+][C@@H]2CCNC2=O)CCCCC1 ZINC001410703466 1127827748 /nfs/dbraw/zinc/82/77/48/1127827748.db2.gz UPKGWWSOOVVIMZ-ZIAGYGMSSA-N 2 0 340.468 -0.546 20 0 EBADRP CC1CCN(C(=O)C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)CC1 ZINC001410723637 1127840983 /nfs/dbraw/zinc/84/09/83/1127840983.db2.gz GBKJDJWTHCXKIT-CQSZACIVSA-N 2 0 328.457 -0.737 20 0 EBADRP C[C@@H](C[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1)CS(C)(=O)=O ZINC001410740854 1127854881 /nfs/dbraw/zinc/85/48/81/1127854881.db2.gz XZIBRRWULGYJRF-GXTWGEPZSA-N 2 0 349.497 -0.924 20 0 EBADRP C[C@@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001410827277 1127909008 /nfs/dbraw/zinc/90/90/08/1127909008.db2.gz YQQNSXXJMJIRNO-PWSUYJOCSA-N 2 0 325.413 -0.755 20 0 EBADRP C[C@@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001410865042 1127922078 /nfs/dbraw/zinc/92/20/78/1127922078.db2.gz USIJSIDPDVCUEW-OLZOCXBDSA-N 2 0 339.440 -0.508 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001410958271 1127952378 /nfs/dbraw/zinc/95/23/78/1127952378.db2.gz PJUFMFYKZOLWSQ-QWHCGFSZSA-N 2 0 341.456 -0.343 20 0 EBADRP NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C(F)(F)F ZINC001411026970 1127978781 /nfs/dbraw/zinc/97/87/81/1127978781.db2.gz USQQBPDOGQNKOC-MNOVXSKESA-N 2 0 348.369 -0.206 20 0 EBADRP CN(C[C@@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)C12CCC[NH+](CCC1)C2 ZINC001411080936 1128005858 /nfs/dbraw/zinc/00/58/58/1128005858.db2.gz PJSAVZAFAFHFEB-KBPBESRZSA-N 2 0 338.452 -0.840 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnnn1C ZINC001411083067 1128008451 /nfs/dbraw/zinc/00/84/51/1128008451.db2.gz ZSNUCKKZEAZTQV-GJZGRUSLSA-N 2 0 338.456 -0.403 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001411098267 1128014975 /nfs/dbraw/zinc/01/49/75/1128014975.db2.gz NXLIHDAIXGUILC-KGLIPLIRSA-N 2 0 328.457 -0.738 20 0 EBADRP CN(C[C@H](O)C[NH2+]CC(=O)N(C)C1CC1)C(=O)C12CC[NH+](CC1)C2 ZINC001411156859 1128050273 /nfs/dbraw/zinc/05/02/73/1128050273.db2.gz XPJBIHIXLISQNY-CQSZACIVSA-N 2 0 338.452 -0.888 20 0 EBADRP CN(C)[C@@H](Cn1cccn1)C(=O)N1C[C@H]2C[N@H+](CCO)C[C@@]2(C)C1 ZINC001091736791 1128151329 /nfs/dbraw/zinc/15/13/29/1128151329.db2.gz COBXLZDIEUCCEO-VYDXJSESSA-N 2 0 335.452 -0.414 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001488016975 1128513657 /nfs/dbraw/zinc/51/36/57/1128513657.db2.gz NGGGQPVNWSRJQP-KBPBESRZSA-N 2 0 328.457 -0.596 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001488001247 1128537528 /nfs/dbraw/zinc/53/75/28/1128537528.db2.gz HPNULGPQPMFBQL-ZDUSSCGKSA-N 2 0 328.457 -0.594 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001488030042 1128571115 /nfs/dbraw/zinc/57/11/15/1128571115.db2.gz OPXCEUCJGFLWAU-AWEZNQCLSA-N 2 0 328.457 -0.738 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@@H](CO)NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001488030036 1128571214 /nfs/dbraw/zinc/57/12/14/1128571214.db2.gz OLNPUPKMMWYNLU-HNNXBMFYSA-N 2 0 340.468 -0.737 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001488078794 1128613705 /nfs/dbraw/zinc/61/37/05/1128613705.db2.gz VPPMJJDMRMBVDQ-KGLIPLIRSA-N 2 0 340.468 -0.594 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@H](CO)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001488079621 1128614122 /nfs/dbraw/zinc/61/41/22/1128614122.db2.gz GTNOWYJKWAGLHS-CABCVRRESA-N 2 0 340.468 -0.737 20 0 EBADRP COCCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001488536139 1128783342 /nfs/dbraw/zinc/78/33/42/1128783342.db2.gz LPVCMKVQXBGLBO-GJZGRUSLSA-N 2 0 340.468 -0.519 20 0 EBADRP COCCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001488536138 1128783493 /nfs/dbraw/zinc/78/34/93/1128783493.db2.gz LPVCMKVQXBGLBO-CABCVRRESA-N 2 0 340.468 -0.519 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@H](CNC(=O)C[N@H+](C)C3CCC3)C2)nc1=O ZINC001488831196 1128870989 /nfs/dbraw/zinc/87/09/89/1128870989.db2.gz KINXGYQXSOHPPX-HAQNSBGRSA-N 2 0 336.440 -0.423 20 0 EBADRP CCO[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C[NH2+]CC(N)=O ZINC001489010730 1128898236 /nfs/dbraw/zinc/89/82/36/1128898236.db2.gz JVAPBPUNNGWIDB-ZIAGYGMSSA-N 2 0 338.452 -0.447 20 0 EBADRP CC1CC[NH+](CC(=O)N2CCC[C@@H]([NH+](CCO)CCO)C2)CC1 ZINC001489168847 1128915756 /nfs/dbraw/zinc/91/57/56/1128915756.db2.gz LURQFCSXLISMFZ-MRXNPFEDSA-N 2 0 327.469 -0.004 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+](CCO)CCCO)C2)CC1 ZINC001489171567 1128916488 /nfs/dbraw/zinc/91/64/88/1128916488.db2.gz ZELOICOAAJUABP-MRXNPFEDSA-N 2 0 327.469 -0.004 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@H]([N@@H+](CCO)CCCO)C1 ZINC001489161264 1128923848 /nfs/dbraw/zinc/92/38/48/1128923848.db2.gz UBCYOOAOLYYIFC-IRXDYDNUSA-N 2 0 339.480 -0.004 20 0 EBADRP C[C@H](C(N)=O)[N@H+](C)CCOCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001489216444 1128934216 /nfs/dbraw/zinc/93/42/16/1128934216.db2.gz RTLKNIHLKHAHET-ZNMIVQPWSA-N 2 0 342.484 -0.003 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001489604743 1129026551 /nfs/dbraw/zinc/02/65/51/1129026551.db2.gz WHNBNBMHWJWDBU-KGLIPLIRSA-N 2 0 338.452 -0.890 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001490214984 1129127492 /nfs/dbraw/zinc/12/74/92/1129127492.db2.gz GADHTEGPCIWNOA-VXGBXAGGSA-N 2 0 327.429 -0.508 20 0 EBADRP C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CCNS(C)(=O)=O ZINC001490238056 1129150272 /nfs/dbraw/zinc/15/02/72/1129150272.db2.gz ZACHUZOSANCNJG-ZDUSSCGKSA-N 2 0 334.486 -0.542 20 0 EBADRP C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CC(=O)N1CCOCC1 ZINC001490238014 1129150290 /nfs/dbraw/zinc/15/02/90/1129150290.db2.gz XWHKDTRKXJGPFD-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[C@H]([NH2+]CC(=O)NC(N)=O)[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001490308683 1129163210 /nfs/dbraw/zinc/16/32/10/1129163210.db2.gz VWPAFJNQQQQQFQ-QWHCGFSZSA-N 2 0 341.456 -0.118 20 0 EBADRP CNC(=O)NC(=O)C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001490381460 1129169647 /nfs/dbraw/zinc/16/96/47/1129169647.db2.gz UWBDLGYEPKIPQN-CYBMUJFWSA-N 2 0 339.440 -0.493 20 0 EBADRP C[C@H](O)C[NH+]1CCN(CCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001490466914 1129181700 /nfs/dbraw/zinc/18/17/00/1129181700.db2.gz LZXZMMGWYDMRQT-ARFHVFGLSA-N 2 0 326.485 -0.169 20 0 EBADRP Cc1nnc(CN2CC[NH+](CCCNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)[nH]1 ZINC001490476663 1129185723 /nfs/dbraw/zinc/18/57/23/1129185723.db2.gz JDNHXOXQHMSKGI-OAHLLOKOSA-N 2 0 349.483 -0.311 20 0 EBADRP CC(=O)NCCOCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001490577756 1129229818 /nfs/dbraw/zinc/22/98/18/1129229818.db2.gz ZKJOITJRQNYDGN-CABCVRRESA-N 2 0 326.441 -0.719 20 0 EBADRP C[C@@H]([NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C1CC1)C(=O)NC(N)=O ZINC001490741496 1129251281 /nfs/dbraw/zinc/25/12/81/1129251281.db2.gz VNYRKQNGMIBCSN-ZYHUDNBSSA-N 2 0 325.413 -0.850 20 0 EBADRP CC[C@@H](C(=O)NC1(CCO)CN(C(=O)C[NH+]2CCCC2)C1)[NH+](C)C ZINC001411771693 1129376827 /nfs/dbraw/zinc/37/68/27/1129376827.db2.gz LBQVPNUDECKWGG-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP CN(CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1)S(C)(=O)=O ZINC001493186765 1129527762 /nfs/dbraw/zinc/52/77/62/1129527762.db2.gz ZPVCLPICJMMPGF-KGLIPLIRSA-N 2 0 346.497 -0.590 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@@H](CO)NC(=O)C1CC[NH+](C)CC1)[NH+](C)C ZINC001412867928 1129744594 /nfs/dbraw/zinc/74/45/94/1129744594.db2.gz AJTAOCATBLKZFG-GJZGRUSLSA-N 2 0 342.484 -0.492 20 0 EBADRP CN(C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001413244095 1129968360 /nfs/dbraw/zinc/96/83/60/1129968360.db2.gz YAIURIADIRWBRX-KBPBESRZSA-N 2 0 338.452 -0.888 20 0 EBADRP CN(C[C@@H](O)CNC(=O)C1(C[NH+](C)C)CC1)C(=O)C[NH+]1CCCC1 ZINC001413260548 1129978705 /nfs/dbraw/zinc/97/87/05/1129978705.db2.gz DBLGRJIPBHDTIN-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP CN(C[C@@H](O)CNC(=O)CCC[NH+](C)C)C(=O)C1CC[NH+](C)CC1 ZINC001413299749 1129998465 /nfs/dbraw/zinc/99/84/65/1129998465.db2.gz UTKOYDCNBRSUBM-HNNXBMFYSA-N 2 0 342.484 -0.395 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(=O)NCC)C1 ZINC001490950097 1130272497 /nfs/dbraw/zinc/27/24/97/1130272497.db2.gz YPESVLOWEGOBRO-HAQNSBGRSA-N 2 0 327.429 -0.589 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001491005345 1130285494 /nfs/dbraw/zinc/28/54/94/1130285494.db2.gz WJVCLAVDGPKBPN-MJBXVCDLSA-N 2 0 326.441 -0.579 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001491056198 1130309113 /nfs/dbraw/zinc/30/91/13/1130309113.db2.gz VNJZUKAFNQCDDU-MCIONIFRSA-N 2 0 331.482 0.000 20 0 EBADRP Cc1cc(NC(=O)C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n(C)n1 ZINC001491079090 1130313890 /nfs/dbraw/zinc/31/38/90/1130313890.db2.gz GTTYHBINBAUYAM-MELADBBJSA-N 2 0 348.451 -0.144 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCC[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001491184221 1130352054 /nfs/dbraw/zinc/35/20/54/1130352054.db2.gz JDZMQNJASLMZDU-OAHLLOKOSA-N 2 0 337.468 -0.064 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H]1CCC[NH+](CC(=O)NC(N)=O)C1 ZINC001491296311 1130389065 /nfs/dbraw/zinc/38/90/65/1130389065.db2.gz NLADGWONXDARSP-STQMWFEESA-N 2 0 341.456 -0.260 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001491336972 1130406103 /nfs/dbraw/zinc/40/61/03/1130406103.db2.gz OUGHPOLDKHQGJH-RBSFLKMASA-N 2 0 340.468 -0.332 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCC[C@H]1CCC[NH+]1CC(=O)NC(N)=O ZINC001492178329 1130590137 /nfs/dbraw/zinc/59/01/37/1130590137.db2.gz OECHNHKNIUVSGV-ZDUSSCGKSA-N 2 0 341.456 -0.118 20 0 EBADRP O=C(N[C@H]1C[NH2+]CC2(CCOCC2)C1)N1CCNCC[NH2+]CC1 ZINC001353457656 1130820722 /nfs/dbraw/zinc/82/07/22/1130820722.db2.gz HZFWZXBLQXBMBZ-CQSZACIVSA-N 2 0 325.457 -0.651 20 0 EBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001480530595 1130826230 /nfs/dbraw/zinc/82/62/30/1130826230.db2.gz KMCLDBUUZMKEAS-OLZOCXBDSA-N 2 0 331.482 -0.143 20 0 EBADRP C[NH+](C)CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001413970143 1130875568 /nfs/dbraw/zinc/87/55/68/1130875568.db2.gz SKCBIPFUFQIKNP-MGPQQGTHSA-N 2 0 338.452 -0.890 20 0 EBADRP [NH3+]CCCSCCC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001357413819 1131082111 /nfs/dbraw/zinc/08/21/11/1131082111.db2.gz JTXGVKITVLJZFX-OAHLLOKOSA-N 2 0 344.525 -0.019 20 0 EBADRP C[NH+]1CCC(O)(CNC(=O)NCCCCCN2CC[NH2+]CC2)CC1 ZINC001357590790 1131104922 /nfs/dbraw/zinc/10/49/22/1131104922.db2.gz NEZISNBKZGHMRF-UHFFFAOYSA-N 2 0 341.500 -0.182 20 0 EBADRP CN1CC(=O)N(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1=O ZINC001358103796 1131166209 /nfs/dbraw/zinc/16/62/09/1131166209.db2.gz QAYBQTZJTIBRAP-OKILXGFUSA-N 2 0 349.435 -0.692 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001413981206 1131192316 /nfs/dbraw/zinc/19/23/16/1131192316.db2.gz QNZKLNJWSNYYJT-RRFJBIMHSA-N 2 0 340.468 -0.642 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2nc3ncccn3n2)C[C@H]1C[NH+](C)C ZINC001363570200 1132018219 /nfs/dbraw/zinc/01/82/19/1132018219.db2.gz SDEVCIFLFISCAN-ZIAGYGMSSA-N 2 0 345.451 -0.135 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(C(N)=O)n2)C[C@H]1C[NH+](C)C ZINC001363594093 1132026719 /nfs/dbraw/zinc/02/67/19/1132026719.db2.gz LQSLSVUFKAOHIE-CHWSQXEVSA-N 2 0 333.436 -0.008 20 0 EBADRP C[NH+]1CCN(c2cc[nH+]cc2NCc2cn(CC(N)=O)nn2)CC1 ZINC001364603101 1132372066 /nfs/dbraw/zinc/37/20/66/1132372066.db2.gz NLPINUDOVVUPAC-UHFFFAOYSA-N 2 0 330.396 -0.478 20 0 EBADRP Cn1cnnc1S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001364901918 1132475256 /nfs/dbraw/zinc/47/52/56/1132475256.db2.gz UKXXJCXKKIZXEQ-VXGBXAGGSA-N 2 0 330.458 -0.825 20 0 EBADRP Cn1nncc1S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001364923732 1132488652 /nfs/dbraw/zinc/48/86/52/1132488652.db2.gz PBYVYVLZQLVPHY-VXGBXAGGSA-N 2 0 330.458 -0.825 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCc2cccnc2)C1 ZINC001366091181 1132997883 /nfs/dbraw/zinc/99/78/83/1132997883.db2.gz QSTIZDOGGRYROA-JKSUJKDBSA-N 2 0 345.447 -0.018 20 0 EBADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1)[NH+](C)C ZINC001366116167 1133013672 /nfs/dbraw/zinc/01/36/72/1133013672.db2.gz GSDOYMWACVKJFH-ZQDZILKHSA-N 2 0 340.468 -0.141 20 0 EBADRP Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)COC3CC[NH+](C)CC3)C2)[nH]1 ZINC001366164809 1133034352 /nfs/dbraw/zinc/03/43/52/1133034352.db2.gz ZBXRRTXHNCZPFH-BETUJISGSA-N 2 0 336.440 -0.039 20 0 EBADRP CC[C@@H]([NH2+][C@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1)C(N)=O ZINC001366288550 1133085449 /nfs/dbraw/zinc/08/54/49/1133085449.db2.gz CHAKNALQLXEWAR-CHWSQXEVSA-N 2 0 328.457 -0.297 20 0 EBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC(=O)N1CCOCC1 ZINC001366324020 1133099502 /nfs/dbraw/zinc/09/95/02/1133099502.db2.gz OITYFEQPGSNZMA-CYBMUJFWSA-N 2 0 326.441 -0.719 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCOCC1)[NH+](C)C ZINC001366327268 1133100575 /nfs/dbraw/zinc/10/05/75/1133100575.db2.gz UGLQBVBLGGGILO-UKRRQHHQSA-N 2 0 328.457 -0.474 20 0 EBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCN1CCCS1(=O)=O ZINC001366340869 1133104776 /nfs/dbraw/zinc/10/47/76/1133104776.db2.gz GMAGIFCHXYKCBS-CYBMUJFWSA-N 2 0 344.481 -0.788 20 0 EBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCN1CCCS1(=O)=O ZINC001366356916 1133110218 /nfs/dbraw/zinc/11/02/18/1133110218.db2.gz JMVRXXOOFIJELJ-CYBMUJFWSA-N 2 0 332.470 -0.788 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1)C(=O)NC(N)=O ZINC001366383386 1133121981 /nfs/dbraw/zinc/12/19/81/1133121981.db2.gz XMJRFJGKOUWFFW-NEPJUHHUSA-N 2 0 337.424 -0.611 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1)[NH+](CC)CC ZINC001366403186 1133131892 /nfs/dbraw/zinc/13/18/92/1133131892.db2.gz BTBVAYSWWZSBQH-STQMWFEESA-N 2 0 341.456 -0.260 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001366417046 1133137802 /nfs/dbraw/zinc/13/78/02/1133137802.db2.gz WCVREXDUURILQO-CYBMUJFWSA-N 2 0 341.456 -0.388 20 0 EBADRP C[C@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC(=O)N1CCOCC1 ZINC001366482474 1133155958 /nfs/dbraw/zinc/15/59/58/1133155958.db2.gz FYYASTAYMAQZEZ-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H](CCNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC(=O)NC(N)=O ZINC001366493955 1133158862 /nfs/dbraw/zinc/15/88/62/1133158862.db2.gz SPEITHWGKGDMOI-NSHDSACASA-N 2 0 327.429 -0.602 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@@H]1CCC[N@@H+]1CCN1CCNC1=O ZINC001366659399 1133231979 /nfs/dbraw/zinc/23/19/79/1133231979.db2.gz DZRWRIBWYGLGLN-AWEZNQCLSA-N 2 0 325.457 -0.066 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@@H]2CC[N@H+](CCNS(C)(=O)=O)C2)CCC1 ZINC001366702737 1133263523 /nfs/dbraw/zinc/26/35/23/1133263523.db2.gz OAGSRVZQUUHMMZ-ZDUSSCGKSA-N 2 0 346.497 -0.542 20 0 EBADRP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H](C)C(=O)NC(N)=O ZINC001366729745 1133273484 /nfs/dbraw/zinc/27/34/84/1133273484.db2.gz UBKPAEOTIPTTJE-NWDGAFQWSA-N 2 0 327.429 -0.650 20 0 EBADRP CNC(=O)NC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001366875929 1133335659 /nfs/dbraw/zinc/33/56/59/1133335659.db2.gz XAULIUGVCDYLAY-STQMWFEESA-N 2 0 339.440 -0.826 20 0 EBADRP COC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001366888353 1133343982 /nfs/dbraw/zinc/34/39/82/1133343982.db2.gz PHVLQJUEDYHVOS-PMPSAXMXSA-N 2 0 343.468 -0.457 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001367014857 1133426159 /nfs/dbraw/zinc/42/61/59/1133426159.db2.gz RHVFAKRMSXVOIM-GJZGRUSLSA-N 2 0 339.440 -0.744 20 0 EBADRP CC[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001367092326 1133472951 /nfs/dbraw/zinc/47/29/51/1133472951.db2.gz HNTFQOAXLBFXJP-STQMWFEESA-N 2 0 336.440 -0.565 20 0 EBADRP C[C@@H]([NH2+]CC[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001367192822 1133498462 /nfs/dbraw/zinc/49/84/62/1133498462.db2.gz PWWUNGVGTYSLCG-CHWSQXEVSA-N 2 0 341.456 -0.260 20 0 EBADRP CN(CC[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1)S(C)(=O)=O ZINC001367203407 1133500426 /nfs/dbraw/zinc/50/04/26/1133500426.db2.gz QZDXOWDPMBDJNC-HDJSIYSDSA-N 2 0 348.513 -0.154 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001367220199 1133504995 /nfs/dbraw/zinc/50/49/95/1133504995.db2.gz AYZNKGPBUPXFSR-OLZOCXBDSA-N 2 0 339.440 -0.493 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001367221962 1133505927 /nfs/dbraw/zinc/50/59/27/1133505927.db2.gz KLVPNMFSYYNNKZ-VXGBXAGGSA-N 2 0 325.413 -0.754 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001367288268 1133526707 /nfs/dbraw/zinc/52/67/07/1133526707.db2.gz KPSYWDUCKSNBPV-VXGBXAGGSA-N 2 0 339.440 -0.732 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001367390331 1133574069 /nfs/dbraw/zinc/57/40/69/1133574069.db2.gz KAYUWNMHYULQTO-CHWSQXEVSA-N 2 0 338.456 -0.371 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001367390351 1133574177 /nfs/dbraw/zinc/57/41/77/1133574177.db2.gz KAYUWNMHYULQTO-STQMWFEESA-N 2 0 338.456 -0.371 20 0 EBADRP CC[C@@H](C(=O)NC[C@@H]([NH2+]CC(=O)NC(=O)NC)C(C)C)[NH+](C)C ZINC001367496830 1133603721 /nfs/dbraw/zinc/60/37/21/1133603721.db2.gz XNBITLJXVOHISY-NEPJUHHUSA-N 2 0 329.445 -0.487 20 0 EBADRP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[NH+]3CCC2CC3)nn1C ZINC001367589811 1133661152 /nfs/dbraw/zinc/66/11/52/1133661152.db2.gz MSFSNSCZHJGURW-HOTGVXAUSA-N 2 0 335.452 -0.363 20 0 EBADRP C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C)C(=O)N1CCCCCC1 ZINC001367602828 1133680450 /nfs/dbraw/zinc/68/04/50/1133680450.db2.gz PULWWBJMHMDSEI-HUUCEWRRSA-N 2 0 342.484 -0.204 20 0 EBADRP CCn1nnc(C)c1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001367606824 1133686169 /nfs/dbraw/zinc/68/61/69/1133686169.db2.gz LSWUGFFLQFMPSH-KBPBESRZSA-N 2 0 338.456 -0.343 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCCCC2)C1 ZINC001367614443 1133694889 /nfs/dbraw/zinc/69/48/89/1133694889.db2.gz AJMKPJWXLBRBNH-LSDHHAIUSA-N 2 0 340.468 -0.593 20 0 EBADRP C[NH+]1CCC(OCC(=O)NC[C@H](O)C[NH2+]Cc2cncs2)CC1 ZINC001367619422 1133702471 /nfs/dbraw/zinc/70/24/71/1133702471.db2.gz QRNFSPRILVHVAO-GFCCVEGCSA-N 2 0 342.465 -0.179 20 0 EBADRP C[C@@H]([NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)C(=O)NC(N)=O ZINC001367651277 1133730496 /nfs/dbraw/zinc/73/04/96/1133730496.db2.gz SZDPNSHAEPSZMQ-NWDGAFQWSA-N 2 0 341.456 -0.071 20 0 EBADRP C[C@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001367671071 1133739345 /nfs/dbraw/zinc/73/93/45/1133739345.db2.gz ROBQGMWOWVIVFD-APIJFGDWSA-N 2 0 340.468 -0.596 20 0 EBADRP O=C(C[NH+]1CCCC1)NCC1([NH2+]C[C@H](O)CN2CCCC2=O)CC1 ZINC001368036256 1133907302 /nfs/dbraw/zinc/90/73/02/1133907302.db2.gz VGBBOLOMBQTIBC-AWEZNQCLSA-N 2 0 338.452 -0.696 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001368108426 1133941046 /nfs/dbraw/zinc/94/10/46/1133941046.db2.gz IZYJXVQODHHBRH-LBPRGKRZSA-N 2 0 327.429 -0.636 20 0 EBADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001368267392 1134068375 /nfs/dbraw/zinc/06/83/75/1134068375.db2.gz VWMPQAQRNGXNBR-BLLLJJGKSA-N 2 0 326.441 -0.855 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@]1(O)CC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC001368280711 1134095739 /nfs/dbraw/zinc/09/57/39/1134095739.db2.gz BVGPEGXUNXCRAQ-WMLDXEAASA-N 2 0 348.451 -0.586 20 0 EBADRP CCN1CC[C@H]([N@@H+]2CC[C@@](O)(CNC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001368290419 1134108232 /nfs/dbraw/zinc/10/82/32/1134108232.db2.gz USSJIVBZTRAARP-WMLDXEAASA-N 2 0 338.452 -0.744 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001368363863 1134167758 /nfs/dbraw/zinc/16/77/58/1134167758.db2.gz LEKICIHXCDXLHB-UONOGXRCSA-N 2 0 339.484 -0.757 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001368397391 1134200844 /nfs/dbraw/zinc/20/08/44/1134200844.db2.gz MURXMQGCVQJFQI-CQSZACIVSA-N 2 0 342.484 -0.348 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](O)Cn2cccn2)CCC1 ZINC001368467281 1134243846 /nfs/dbraw/zinc/24/38/46/1134243846.db2.gz XUOMXDUZQOIZBS-CABCVRRESA-N 2 0 335.452 -0.033 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCC1 ZINC001368478546 1134247307 /nfs/dbraw/zinc/24/73/07/1134247307.db2.gz XLLZZQRNJSNSGP-LBPRGKRZSA-N 2 0 339.440 -0.316 20 0 EBADRP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CCO1 ZINC001368532277 1134278515 /nfs/dbraw/zinc/27/85/15/1134278515.db2.gz KJMJXDXLCZUOIC-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001368535898 1134281240 /nfs/dbraw/zinc/28/12/40/1134281240.db2.gz PSGZXSZQWHYAMT-FRRDWIJNSA-N 2 0 339.440 -0.460 20 0 EBADRP CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1)[NH+](C)C ZINC001368595268 1134312994 /nfs/dbraw/zinc/31/29/94/1134312994.db2.gz ZNKFNOVLMMCWPL-LPWJVIDDSA-N 2 0 341.456 -0.345 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@H](CNC(=O)C[C@H]3CC[N@H+](C)C3)C2)nc1=O ZINC001368611229 1134322607 /nfs/dbraw/zinc/32/26/07/1134322607.db2.gz WCCSGJOHRPYWOS-JHJVBQTASA-N 2 0 336.440 -0.565 20 0 EBADRP CC(C)[C@H](C(=O)N1CCC(O)(C[NH2+][C@H](C)C(N)=O)CC1)[NH+](C)C ZINC001368684034 1134383483 /nfs/dbraw/zinc/38/34/83/1134383483.db2.gz RZNAGEKNDDILOC-CHWSQXEVSA-N 2 0 328.457 -0.611 20 0 EBADRP CCN(C)C(=O)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001368685015 1134383918 /nfs/dbraw/zinc/38/39/18/1134383918.db2.gz LUVOTAOIQBKILR-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@@H](C(=O)N1CCC(O)(C[NH2+]C[C@H](O)COC)CC1)[NH+](C)C ZINC001368689448 1134390033 /nfs/dbraw/zinc/39/00/33/1134390033.db2.gz JKAVPQSUKWHONN-KBPBESRZSA-N 2 0 331.457 -0.723 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001368746354 1134416292 /nfs/dbraw/zinc/41/62/92/1134416292.db2.gz BCMLQETZRQXSEK-QWHCGFSZSA-N 2 0 341.456 -0.199 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1CC(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001368808573 1134450405 /nfs/dbraw/zinc/45/04/05/1134450405.db2.gz HQLHHNIIWPTRCH-WXRRBKDZSA-N 2 0 339.440 -0.460 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CC(=O)Nc2cnccn2)C1 ZINC001368815355 1134453427 /nfs/dbraw/zinc/45/34/27/1134453427.db2.gz LNRYCLNYOLZULU-JXQTWKCFSA-N 2 0 346.435 -0.006 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001368840011 1134461693 /nfs/dbraw/zinc/46/16/93/1134461693.db2.gz KQKROYRKXHWJQK-MNOVXSKESA-N 2 0 327.429 -0.591 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001368895089 1134478290 /nfs/dbraw/zinc/47/82/90/1134478290.db2.gz PQYZONWOOJTBPL-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2(CCO)C[NH+](C[C@@H]3CCCOC3)C2)C1 ZINC001369035559 1134541836 /nfs/dbraw/zinc/54/18/36/1134541836.db2.gz QVNRLGHYRDLXPA-GJZGRUSLSA-N 2 0 325.453 -0.082 20 0 EBADRP CC[C@H](C(=O)N[C@H](C)C1C[NH+](CCN2CCNC2=O)C1)[NH+](C)C ZINC001369076027 1134553394 /nfs/dbraw/zinc/55/33/94/1134553394.db2.gz NZTUCWUAEVFKPR-TZMCWYRMSA-N 2 0 325.457 -0.212 20 0 EBADRP COC[C@@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001369125837 1134578455 /nfs/dbraw/zinc/57/84/55/1134578455.db2.gz MZAVNSXMJFNEPF-YHUYYLMFSA-N 2 0 337.464 -0.084 20 0 EBADRP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1)C(=O)NC(N)=O ZINC001369168517 1134604421 /nfs/dbraw/zinc/60/44/21/1134604421.db2.gz KSFPKBFVFXZDRA-DDHJBXDOSA-N 2 0 325.413 -0.852 20 0 EBADRP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C1)C(N)=O ZINC001369179771 1134607619 /nfs/dbraw/zinc/60/76/19/1134607619.db2.gz XUIKVNZTYHBVOK-AVGNSLFASA-N 2 0 326.441 -0.545 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001369251439 1134630077 /nfs/dbraw/zinc/63/00/77/1134630077.db2.gz QCJLBJSMAOWMLD-NEPJUHHUSA-N 2 0 341.456 -0.249 20 0 EBADRP C[C@H]1CCCCN1C(=O)C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001369345671 1134693702 /nfs/dbraw/zinc/69/37/02/1134693702.db2.gz HSMFUXVQVYJQIP-UONOGXRCSA-N 2 0 328.457 -0.594 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC001369349348 1134698028 /nfs/dbraw/zinc/69/80/28/1134698028.db2.gz QCBBKWKSVPCANV-CQSZACIVSA-N 2 0 337.420 -0.024 20 0 EBADRP C[C@H]([NH2+][C@H](CO)CNC(=O)C[NH+]1CCC(C)CC1)C(=O)N(C)C ZINC001369361163 1134713039 /nfs/dbraw/zinc/71/30/39/1134713039.db2.gz KKIAPPDSYIGHDA-KBPBESRZSA-N 2 0 328.457 -0.738 20 0 EBADRP C[C@@H]([NH2+][C@H](CO)CNC(=O)C[NH+]1CCC(C)CC1)C(=O)N(C)C ZINC001369361165 1134713376 /nfs/dbraw/zinc/71/33/76/1134713376.db2.gz KKIAPPDSYIGHDA-KGLIPLIRSA-N 2 0 328.457 -0.738 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@H](CO)[NH2+]CC(=O)N1CCCCC1 ZINC001369382208 1134743536 /nfs/dbraw/zinc/74/35/36/1134743536.db2.gz KXYHMSAVQZNICD-CQSZACIVSA-N 2 0 326.441 -0.839 20 0 EBADRP CC(C)N1CC[C@@H]([NH2+][C@@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001369384934 1134746316 /nfs/dbraw/zinc/74/63/16/1134746316.db2.gz UMYKPKLOKCCNTQ-ZIAGYGMSSA-N 2 0 338.452 -0.842 20 0 EBADRP C[C@@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001369391820 1134752129 /nfs/dbraw/zinc/75/21/29/1134752129.db2.gz NGOXFCPYPXLWAN-MNOVXSKESA-N 2 0 325.413 -0.898 20 0 EBADRP C[C@@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)CN1C(=O)C1CC[NH+](C)CC1 ZINC001369410558 1134767719 /nfs/dbraw/zinc/76/77/19/1134767719.db2.gz WDLTXDJUWNVWDD-PWSUYJOCSA-N 2 0 325.413 -0.898 20 0 EBADRP COc1cc(C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)ccn1 ZINC001369478461 1134841700 /nfs/dbraw/zinc/84/17/00/1134841700.db2.gz CPENUEQQKWAONM-HUUCEWRRSA-N 2 0 336.436 -0.049 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001369480063 1134843711 /nfs/dbraw/zinc/84/37/11/1134843711.db2.gz MTVBEUMQOPRYHJ-OCCSQVGLSA-N 2 0 326.441 -0.984 20 0 EBADRP CN(C[C@@H](O)C[NH2+]Cc1cnns1)C(=O)C1(C[NH+](C)C)CC1 ZINC001369483624 1134852418 /nfs/dbraw/zinc/85/24/18/1134852418.db2.gz KWJGRALNFMLROG-NSHDSACASA-N 2 0 327.454 -0.211 20 0 EBADRP CC[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N1CCCCC1)[NH+](C)C ZINC001369489558 1134863446 /nfs/dbraw/zinc/86/34/46/1134863446.db2.gz XOXSQFZDDQIIPW-HUUCEWRRSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N1CCCCC1)[NH+](C)C ZINC001369489555 1134863548 /nfs/dbraw/zinc/86/35/48/1134863548.db2.gz XOXSQFZDDQIIPW-GJZGRUSLSA-N 2 0 342.484 -0.252 20 0 EBADRP C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1cccc(C[NH+](C)C)c1)C(N)=O ZINC001369490261 1134863955 /nfs/dbraw/zinc/86/39/55/1134863955.db2.gz OTLNDJZZDILRKU-IUODEOHRSA-N 2 0 336.436 -0.356 20 0 EBADRP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001369566451 1134944057 /nfs/dbraw/zinc/94/40/57/1134944057.db2.gz GGYQXJYLPLLZDG-AAEUAGOBSA-N 2 0 339.440 -0.508 20 0 EBADRP CN(C(=O)[C@@]12CC[N@H+](C1)CCC2)C1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001369580062 1134947512 /nfs/dbraw/zinc/94/75/12/1134947512.db2.gz YVBHPELKMBAWOZ-PPUFBPAQSA-N 2 0 337.424 -0.754 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001370175111 1135236130 /nfs/dbraw/zinc/23/61/30/1135236130.db2.gz KDXDUGNJBXKZRY-OLZOCXBDSA-N 2 0 339.440 -0.462 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001370280203 1135281299 /nfs/dbraw/zinc/28/12/99/1135281299.db2.gz ZBWYVXCKDHALQH-STQMWFEESA-N 2 0 339.440 -0.460 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001370431450 1135347658 /nfs/dbraw/zinc/34/76/58/1135347658.db2.gz STKHFAZXHZMJGZ-NWDGAFQWSA-N 2 0 325.413 -0.754 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)Nc3cnccn3)C2)CC1 ZINC001370503062 1135379593 /nfs/dbraw/zinc/37/95/93/1135379593.db2.gz OHHJFRRJAWUNJU-JOCQHMNTSA-N 2 0 346.435 -0.006 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001370544028 1135402265 /nfs/dbraw/zinc/40/22/65/1135402265.db2.gz PTJWHPIMDCDIPI-SHTZXODSSA-N 2 0 340.468 -0.140 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001370548964 1135404249 /nfs/dbraw/zinc/40/42/49/1135404249.db2.gz QLRPIPRMSALDKO-HDJSIYSDSA-N 2 0 346.497 -0.400 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001370643506 1135445725 /nfs/dbraw/zinc/44/57/25/1135445725.db2.gz NDLSDYKIZRLBCJ-GRYCIOLGSA-N 2 0 325.413 -0.709 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H](CO)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001370705612 1135524294 /nfs/dbraw/zinc/52/42/94/1135524294.db2.gz POHSSVMYEQSUNY-AWEZNQCLSA-N 2 0 347.419 -0.117 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001370750173 1135589622 /nfs/dbraw/zinc/58/96/22/1135589622.db2.gz WZKBTCJKEVADDJ-UONOGXRCSA-N 2 0 328.457 -0.594 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@H](CO)NC(=O)C1([NH+](C)C)CCC1)[NH+](C)C ZINC001370758041 1135600536 /nfs/dbraw/zinc/60/05/36/1135600536.db2.gz QZYAMBPSLXXPTG-ZIAGYGMSSA-N 2 0 342.484 -0.350 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+](CCNS(C)(=O)=O)C2)C1 ZINC001370787748 1135632543 /nfs/dbraw/zinc/63/25/43/1135632543.db2.gz JBBGTHDEBCDTLZ-KBPBESRZSA-N 2 0 346.497 -0.685 20 0 EBADRP CC[C@H](C(=O)N(C)C[C@H](O)CNC(=O)C1([NH+](C)C)CCC1)[NH+](C)C ZINC001370998732 1135753965 /nfs/dbraw/zinc/75/39/65/1135753965.db2.gz JJSFXLAAQHYLGH-ZIAGYGMSSA-N 2 0 342.484 -0.254 20 0 EBADRP CN(C[C@H](O)CNC(=O)CC[NH+](C)C)C(=O)C1CC[NH+](C)CC1 ZINC001371005299 1135763544 /nfs/dbraw/zinc/76/35/44/1135763544.db2.gz URDIUGSYVAWAND-CQSZACIVSA-N 2 0 328.457 -0.785 20 0 EBADRP CC(C)[C@H](C(=O)N(C)C[C@H](O)CNC(=O)C[NH+]1CCCC1)[NH+](C)C ZINC001371015966 1135778546 /nfs/dbraw/zinc/77/85/46/1135778546.db2.gz LNBLAUWSVHATLV-GDBMZVCRSA-N 2 0 342.484 -0.396 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001371070201 1135832159 /nfs/dbraw/zinc/83/21/59/1135832159.db2.gz CNUQFMGWGWTVJH-WXRRBKDZSA-N 2 0 339.440 -0.317 20 0 EBADRP COC[C@H](O)C[NH2+][C@@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001371279141 1135877108 /nfs/dbraw/zinc/87/71/08/1135877108.db2.gz PGQLMJDBQDEKRF-GXTWGEPZSA-N 2 0 333.392 -0.018 20 0 EBADRP COC[C@H](O)C[NH2+][C@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001371279144 1135877221 /nfs/dbraw/zinc/87/72/21/1135877221.db2.gz PGQLMJDBQDEKRF-TZMCWYRMSA-N 2 0 333.392 -0.018 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C1CC1 ZINC001371470857 1135928836 /nfs/dbraw/zinc/92/88/36/1135928836.db2.gz RQIAKMLKDFFFEP-KGLIPLIRSA-N 2 0 340.468 -0.330 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCN(C)S(C)(=O)=O ZINC001371477128 1135932362 /nfs/dbraw/zinc/93/23/62/1135932362.db2.gz WXPDBCRXCKKEKC-KBPBESRZSA-N 2 0 348.513 -0.154 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CCN(C)S(C)(=O)=O)C2)CC[N@@H+]1C ZINC001371513921 1135943180 /nfs/dbraw/zinc/94/31/80/1135943180.db2.gz UCWUGRRTFJRIQI-HZSPNIEDSA-N 2 0 346.497 -0.592 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001371534843 1135958876 /nfs/dbraw/zinc/95/88/76/1135958876.db2.gz ZDMLKEIDRCQDII-LBPRGKRZSA-N 2 0 339.440 -0.636 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001371545438 1135966145 /nfs/dbraw/zinc/96/61/45/1135966145.db2.gz FUXXICOWRYVIBA-KGLIPLIRSA-N 2 0 340.468 -0.642 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001371760686 1136015163 /nfs/dbraw/zinc/01/51/63/1136015163.db2.gz IPKDBGOOFVGWNO-VXGBXAGGSA-N 2 0 327.429 -0.462 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001371768569 1136016821 /nfs/dbraw/zinc/01/68/21/1136016821.db2.gz GUFHPNODRLQDIU-AAEUAGOBSA-N 2 0 329.445 -0.487 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001371886130 1136048112 /nfs/dbraw/zinc/04/81/12/1136048112.db2.gz IFLQUKPBSFJRTF-OLZOCXBDSA-N 2 0 338.456 -0.033 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001372941794 1136332862 /nfs/dbraw/zinc/33/28/62/1136332862.db2.gz CDRHXNXHIJDSSX-NWDGAFQWSA-N 2 0 327.429 -0.780 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001372941789 1136332971 /nfs/dbraw/zinc/33/29/71/1136332971.db2.gz CDRHXNXHIJDSSX-NEPJUHHUSA-N 2 0 327.429 -0.780 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001373288713 1136420393 /nfs/dbraw/zinc/42/03/93/1136420393.db2.gz LCIJKVUWZSIUOB-CHWSQXEVSA-N 2 0 341.456 -0.438 20 0 EBADRP CCN1CCO[C@@H](C(=O)N(C)CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001373535030 1136487864 /nfs/dbraw/zinc/48/78/64/1136487864.db2.gz WGATXSRMOCJGTC-OAHLLOKOSA-N 2 0 340.468 -0.377 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](CC)[NH2+]CC(=O)NC(N)=O)C1 ZINC001373787879 1136560768 /nfs/dbraw/zinc/56/07/68/1136560768.db2.gz GOKDTWUNKPWISY-OLZOCXBDSA-N 2 0 341.456 -0.212 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001373970181 1136596311 /nfs/dbraw/zinc/59/63/11/1136596311.db2.gz HOYJSVZLPHZIQS-QWHCGFSZSA-N 2 0 341.456 -0.118 20 0 EBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001374108905 1136623992 /nfs/dbraw/zinc/62/39/92/1136623992.db2.gz MPAFWYOHUXHLGD-KBPBESRZSA-N 2 0 331.482 -0.141 20 0 EBADRP C[NH+](C)CCC(=O)NCC1([NH2+]CCN2CCNC2=O)CCCC1 ZINC001374176970 1136643857 /nfs/dbraw/zinc/64/38/57/1136643857.db2.gz XHTMPCIXILNPRD-UHFFFAOYSA-N 2 0 325.457 -0.018 20 0 EBADRP CC(C)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001374453621 1136692234 /nfs/dbraw/zinc/69/22/34/1136692234.db2.gz ISKOUSCMPWAYBV-RYUDHWBXSA-N 2 0 327.429 -0.604 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCc1ccccc1 ZINC001374589202 1136731598 /nfs/dbraw/zinc/73/15/98/1136731598.db2.gz HKDILBZYVGKJIH-JKSUJKDBSA-N 2 0 348.447 -0.536 20 0 EBADRP COc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)sn1 ZINC001374589591 1136731999 /nfs/dbraw/zinc/73/19/99/1136731999.db2.gz INJNXPADKBZCHX-JQWIXIFHSA-N 2 0 328.438 -0.187 20 0 EBADRP COc1nccc(C[NH2+]C[C@H](O)CNC(=O)C23CCC[NH+]2CCC3)n1 ZINC001374625182 1136757372 /nfs/dbraw/zinc/75/73/72/1136757372.db2.gz PVAVVGYCTMMRDT-AWEZNQCLSA-N 2 0 349.435 -0.320 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001374633980 1136763954 /nfs/dbraw/zinc/76/39/54/1136763954.db2.gz ASAUPMQMSXORKU-KGLIPLIRSA-N 2 0 328.457 -0.596 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCCC2)C1 ZINC001374649975 1136774825 /nfs/dbraw/zinc/77/48/25/1136774825.db2.gz FABNXDNPYJVYRG-UONOGXRCSA-N 2 0 326.441 -0.983 20 0 EBADRP C[NH+]1CCC(CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CC2)CC1 ZINC001374651431 1136775883 /nfs/dbraw/zinc/77/58/83/1136775883.db2.gz MSXAAGWEQRPAIP-AWEZNQCLSA-N 2 0 326.441 -0.936 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001374652646 1136776368 /nfs/dbraw/zinc/77/63/68/1136776368.db2.gz OTBUXOVBIPNKGI-OAGGEKHMSA-N 2 0 348.447 -0.856 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001374654202 1136777650 /nfs/dbraw/zinc/77/76/50/1136777650.db2.gz WGNUMRZGONJNAD-AWEZNQCLSA-N 2 0 328.457 -0.737 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001374654610 1136777802 /nfs/dbraw/zinc/77/78/02/1136777802.db2.gz WFGQFUYIQYQZLR-KGLIPLIRSA-N 2 0 338.452 -0.767 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001374654203 1136777914 /nfs/dbraw/zinc/77/79/14/1136777914.db2.gz WGNUMRZGONJNAD-CQSZACIVSA-N 2 0 328.457 -0.737 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001374654598 1136777993 /nfs/dbraw/zinc/77/79/93/1136777993.db2.gz WFGQFUYIQYQZLR-KBPBESRZSA-N 2 0 338.452 -0.767 20 0 EBADRP CCn1nnc(C)c1C[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374671939 1136790680 /nfs/dbraw/zinc/79/06/80/1136790680.db2.gz REOYNGHIFPDMRH-KBPBESRZSA-N 2 0 338.456 -0.485 20 0 EBADRP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@@H](C(C)C)[NH+](C)C)nn1C ZINC001374675626 1136793963 /nfs/dbraw/zinc/79/39/63/1136793963.db2.gz UADLMBHMJJQSGI-LSDHHAIUSA-N 2 0 325.457 -0.119 20 0 EBADRP C[C@@H](CC[NH2+][C@H]1CCN(C)C1=O)NC(=O)COC1CC[NH+](C)CC1 ZINC001374705473 1136808268 /nfs/dbraw/zinc/80/82/68/1136808268.db2.gz OONIITIIPBLEGW-ZFWWWQNUSA-N 2 0 340.468 -0.188 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001374755369 1136823426 /nfs/dbraw/zinc/82/34/26/1136823426.db2.gz MBGPNAGVFSLUIR-GFCCVEGCSA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001374787441 1136832955 /nfs/dbraw/zinc/83/29/55/1136832955.db2.gz XSAWDIHKMMFKQU-DGCLKSJQSA-N 2 0 328.376 -0.136 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001374808800 1136838395 /nfs/dbraw/zinc/83/83/95/1136838395.db2.gz YVRQJHJQPZKICH-XQHKEYJVSA-N 2 0 341.456 -0.345 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001374812213 1136839449 /nfs/dbraw/zinc/83/94/49/1136839449.db2.gz VZPACOBZQNDCCM-LLVKDONJSA-N 2 0 327.429 -0.732 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374846319 1136851627 /nfs/dbraw/zinc/85/16/27/1136851627.db2.gz GRZYEPDZVCFADO-CHWSQXEVSA-N 2 0 341.456 -0.486 20 0 EBADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001374906934 1136870445 /nfs/dbraw/zinc/87/04/45/1136870445.db2.gz VWAYLDXERUQZEL-DMDPSCGWSA-N 2 0 341.456 -0.202 20 0 EBADRP C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)CC[NH+]1CCCCC1 ZINC001374981675 1136888692 /nfs/dbraw/zinc/88/86/92/1136888692.db2.gz ISYDOEAMCFCFKC-RYUDHWBXSA-N 2 0 327.429 -0.460 20 0 EBADRP C[C@@H](C[N@H+](C)C[C@H](O)Cn1cccn1)NC(=O)C12CC[NH+](CC1)C2 ZINC001375132267 1136922977 /nfs/dbraw/zinc/92/29/77/1136922977.db2.gz HAQRPBNUOVCJOR-GJZGRUSLSA-N 2 0 335.452 -0.224 20 0 EBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCCOCC[NH+](C)C ZINC000360279409 282106685 /nfs/dbraw/zinc/10/66/85/282106685.db2.gz PAZYDLXRTRSEMV-CQSZACIVSA-N 2 0 328.457 -0.519 20 0 EBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000353072250 282346627 /nfs/dbraw/zinc/34/66/27/282346627.db2.gz SLTJEASDWYPZAJ-OAHLLOKOSA-N 2 0 338.452 -0.480 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642758098 376082422 /nfs/dbraw/zinc/08/24/22/376082422.db2.gz AMDWIFXSPYNPPA-ZNMIVQPWSA-N 2 0 338.452 -0.576 20 0 EBADRP CC[NH+](C)C[C@@H](O)CN1CCN(C[C@H](O)C[N@@H+](C)CC)C[C@@H]1C ZINC000568165370 376129984 /nfs/dbraw/zinc/12/99/84/376129984.db2.gz MDCWJKNAQRFMKS-GVDBMIGSSA-N 2 0 330.517 -0.382 20 0 EBADRP CCC[NH+]1CCC(CNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000557246512 376167230 /nfs/dbraw/zinc/16/72/30/376167230.db2.gz WXGUYBHXJMGFSH-HNNXBMFYSA-N 2 0 339.484 -0.674 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642792265 376180175 /nfs/dbraw/zinc/18/01/75/376180175.db2.gz HKSTTWRSYNHBJI-KGLIPLIRSA-N 2 0 326.441 -0.719 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000572617435 376452263 /nfs/dbraw/zinc/45/22/63/376452263.db2.gz MXOCRCOKWNRJPF-LSDHHAIUSA-N 2 0 327.473 -0.373 20 0 EBADRP Cc1nccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000560304253 376672162 /nfs/dbraw/zinc/67/21/62/376672162.db2.gz AVDVICYMGJHIJS-UHFFFAOYSA-N 2 0 336.440 -0.647 20 0 EBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NC[C@@H](C)[NH3+])CC2)CC1 ZINC000642911161 376707485 /nfs/dbraw/zinc/70/74/85/376707485.db2.gz XFLXHKOEQVCNQP-CQSZACIVSA-N 2 0 339.484 -0.533 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642919983 376754694 /nfs/dbraw/zinc/75/46/94/376754694.db2.gz RDHYHQJVKNXRFJ-UHFFFAOYSA-N 2 0 347.419 -0.393 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCC[NH2+]C2CC2)C[C@H](C)O1 ZINC000642920007 376754906 /nfs/dbraw/zinc/75/49/06/376754906.db2.gz SVINDBMNYYNIEN-BETUJISGSA-N 2 0 326.441 -0.530 20 0 EBADRP C[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000562949560 377055037 /nfs/dbraw/zinc/05/50/37/377055037.db2.gz NOEGJJSRGTWSHN-HUUCEWRRSA-N 2 0 342.484 -0.585 20 0 EBADRP C[NH+]1CC[C@H](CC(=O)N[C@H](CO)CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000635794273 377122529 /nfs/dbraw/zinc/12/25/29/377122529.db2.gz AVFXNPVQHGSIFX-KFWWJZLASA-N 2 0 340.468 -0.737 20 0 EBADRP C[C@H]1C[C@@H](CO)CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000562949561 377056681 /nfs/dbraw/zinc/05/66/81/377056681.db2.gz NOEGJJSRGTWSHN-LSDHHAIUSA-N 2 0 342.484 -0.585 20 0 EBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000562961586 377067435 /nfs/dbraw/zinc/06/74/35/377067435.db2.gz CTCBUJJDQBBXLA-CABCVRRESA-N 2 0 339.484 -0.580 20 0 EBADRP CCN1CCN(C(=O)[C@@H](C)N2CCC[C@H](S(N)(=O)=O)C2)CC1 ZINC000364109043 377153424 /nfs/dbraw/zinc/15/34/24/377153424.db2.gz QVBKYZACQVXFIX-OLZOCXBDSA-N 2 0 332.470 -0.708 20 0 EBADRP CCC[NH+]1CCC(CNC(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000570501344 377248583 /nfs/dbraw/zinc/24/85/83/377248583.db2.gz VAOZQHBXJHXINJ-UHFFFAOYSA-N 2 0 325.457 -0.161 20 0 EBADRP O=C(C[C@H]1CSCC[NH2+]1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000570568747 377257666 /nfs/dbraw/zinc/25/76/66/377257666.db2.gz HWBBRQPTXLQKHQ-KBPBESRZSA-N 2 0 340.493 -0.248 20 0 EBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000570618918 377260554 /nfs/dbraw/zinc/26/05/54/377260554.db2.gz BVCRJKFILKOMME-HUUCEWRRSA-N 2 0 339.484 -0.532 20 0 EBADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCCN1CCOCC1 ZINC000170740941 377321181 /nfs/dbraw/zinc/32/11/81/377321181.db2.gz AMWRZYZCZLFKOI-UHFFFAOYSA-N 2 0 341.500 -0.014 20 0 EBADRP CC[NH+](CC)CCN(C(=O)C[C@H](C[NH3+])OC)[C@H]1CCS(=O)(=O)C1 ZINC000570928494 377303472 /nfs/dbraw/zinc/30/34/72/377303472.db2.gz JVARHBTWRMTOKW-UONOGXRCSA-N 2 0 349.497 -0.292 20 0 EBADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc1 ZINC000102811846 377355712 /nfs/dbraw/zinc/35/57/12/377355712.db2.gz WYXOMOKMPDQSTI-OAHLLOKOSA-N 2 0 336.436 -0.232 20 0 EBADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000580320662 377469845 /nfs/dbraw/zinc/46/98/45/377469845.db2.gz QFLFBXKUWXUGNC-MRXNPFEDSA-N 2 0 340.468 -0.330 20 0 EBADRP CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000392002440 377565086 /nfs/dbraw/zinc/56/50/86/377565086.db2.gz QIQVYFZAYPYUCE-KGLIPLIRSA-N 2 0 346.497 -0.542 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000636534019 377560317 /nfs/dbraw/zinc/56/03/17/377560317.db2.gz FRCSVZOKXXGMFI-OAHLLOKOSA-N 2 0 327.473 -0.622 20 0 EBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NCc1ccnc(N2CCOCC2)c1 ZINC000636539227 377571514 /nfs/dbraw/zinc/57/15/14/377571514.db2.gz LQELMIKCRKGWSD-HNNXBMFYSA-N 2 0 349.435 -0.216 20 0 EBADRP CCCNC(=O)[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000592824278 377853202 /nfs/dbraw/zinc/85/32/02/377853202.db2.gz HHFGKUSRMQLCBE-KBPBESRZSA-N 2 0 338.452 -0.086 20 0 EBADRP [NH3+]Cc1ccc(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(F)c1 ZINC000595272393 377987702 /nfs/dbraw/zinc/98/77/02/377987702.db2.gz YOJWJIIZUZZQIG-JSGCOSHPSA-N 2 0 335.383 -0.262 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CCSC1 ZINC000595269206 377987863 /nfs/dbraw/zinc/98/78/63/377987863.db2.gz QLYKGJBNTZVCHG-JMSVASOKSA-N 2 0 341.481 -0.623 20 0 EBADRP COC(=O)CCN1CCC[C@@H]([N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C1=O ZINC000595890809 378033239 /nfs/dbraw/zinc/03/32/39/378033239.db2.gz FGMZADLBPSSRBQ-HUUCEWRRSA-N 2 0 338.452 -0.480 20 0 EBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000636734007 378363738 /nfs/dbraw/zinc/36/37/38/378363738.db2.gz HMJLOWXQSCLAIF-OAHLLOKOSA-N 2 0 340.468 -0.003 20 0 EBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H]([NH3+])Cc1cccc(OC)c1 ZINC000602490124 378358901 /nfs/dbraw/zinc/35/89/01/378358901.db2.gz CCKZZXNWZOOOSG-CABCVRRESA-N 2 0 335.404 -0.072 20 0 EBADRP CNS(=O)(=O)CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000338149959 378741276 /nfs/dbraw/zinc/74/12/76/378741276.db2.gz NLCBFBVHVGWMIV-KGLIPLIRSA-N 2 0 346.497 -0.494 20 0 EBADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000338278939 378751358 /nfs/dbraw/zinc/75/13/58/378751358.db2.gz IOBBSTGGFJWXBF-OAHLLOKOSA-N 2 0 332.514 -0.163 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)ccc1=O ZINC000534284149 378987413 /nfs/dbraw/zinc/98/74/13/378987413.db2.gz SZEXPUOLFNXLKY-OAHLLOKOSA-N 2 0 333.436 -0.262 20 0 EBADRP Cc1nn(C)c(N2CCOCC2)c1CN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563430911 379016446 /nfs/dbraw/zinc/01/64/46/379016446.db2.gz CNKIWXOIDMCSBN-HIFRSBDPSA-N 2 0 348.451 -0.691 20 0 EBADRP O=C([C@H]1CCC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C1)N1CC[NH2+]CC1 ZINC000571087913 379073229 /nfs/dbraw/zinc/07/32/29/379073229.db2.gz KTRMLKDEFAUIQI-GJZGRUSLSA-N 2 0 343.493 -0.045 20 0 EBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000627292258 379122244 /nfs/dbraw/zinc/12/22/44/379122244.db2.gz PRSAZKPWRMLIGU-JKSUJKDBSA-N 2 0 348.447 -0.620 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000629788150 379131529 /nfs/dbraw/zinc/13/15/29/379131529.db2.gz LUPYMAIUYHUYKZ-UHFFFAOYSA-N 2 0 326.441 -0.493 20 0 EBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)CCOCC[NH2+]C)C1 ZINC000629787681 379132334 /nfs/dbraw/zinc/13/23/34/379132334.db2.gz IYEKEFNLAUSEAI-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000629792064 379135870 /nfs/dbraw/zinc/13/58/70/379135870.db2.gz HCUKMMJVZVSHLQ-OAHLLOKOSA-N 2 0 340.468 -0.103 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000629818177 379160268 /nfs/dbraw/zinc/16/02/68/379160268.db2.gz LJULLOJNESAIPG-UHFFFAOYSA-N 2 0 340.468 -0.105 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000629795310 379140578 /nfs/dbraw/zinc/14/05/78/379140578.db2.gz JAORTVZCIHBIOQ-HNNXBMFYSA-N 2 0 340.468 -0.103 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000629794950 379141024 /nfs/dbraw/zinc/14/10/24/379141024.db2.gz SEPGFVRLHPNNCJ-UHFFFAOYSA-N 2 0 328.457 -0.247 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000629799448 379142428 /nfs/dbraw/zinc/14/24/28/379142428.db2.gz QMKJDKLASFIHPU-CYBMUJFWSA-N 2 0 326.441 -0.495 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000629798762 379142745 /nfs/dbraw/zinc/14/27/45/379142745.db2.gz ZPLJVOZTQIPMNY-CQSZACIVSA-N 2 0 325.457 -0.968 20 0 EBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C[NH2+]1 ZINC000627296834 379142924 /nfs/dbraw/zinc/14/29/24/379142924.db2.gz URXXAOGDAUXWMB-RBSFLKMASA-N 2 0 340.468 -0.140 20 0 EBADRP CC[NH+]1CCN([C@H](C)CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000571407752 379174677 /nfs/dbraw/zinc/17/46/77/379174677.db2.gz KKFRTSGKXVYARJ-HUUCEWRRSA-N 2 0 349.483 -0.042 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000458441498 379224097 /nfs/dbraw/zinc/22/40/97/379224097.db2.gz SCEASWGBLBEYQC-LSDHHAIUSA-N 2 0 328.457 -0.147 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627333077 379345137 /nfs/dbraw/zinc/34/51/37/379345137.db2.gz STBWLYLBSBOAOT-UONOGXRCSA-N 2 0 326.441 -0.672 20 0 EBADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627325535 379332557 /nfs/dbraw/zinc/33/25/57/379332557.db2.gz NBLLEHGWDBQAEE-CQSZACIVSA-N 2 0 334.420 -0.279 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627328795 379335629 /nfs/dbraw/zinc/33/56/29/379335629.db2.gz NXYSVMTTYKNMAJ-HUUCEWRRSA-N 2 0 340.468 -0.425 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000627311566 379301177 /nfs/dbraw/zinc/30/11/77/379301177.db2.gz BZCWXUOUMSYANA-QLFBSQMISA-N 2 0 342.484 -0.179 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000627311569 379301707 /nfs/dbraw/zinc/30/17/07/379301707.db2.gz BZCWXUOUMSYANA-ZNMIVQPWSA-N 2 0 342.484 -0.179 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000627312109 379303623 /nfs/dbraw/zinc/30/36/23/379303623.db2.gz PQTSSGMEONMTCG-GJZGRUSLSA-N 2 0 342.484 -0.083 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000571645817 379354340 /nfs/dbraw/zinc/35/43/40/379354340.db2.gz IRJFHLVPZFVVEO-INIZCTEOSA-N 2 0 348.451 -0.129 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2cc(CCC[NH3+])nn2)C1 ZINC000640876887 379361350 /nfs/dbraw/zinc/36/13/50/379361350.db2.gz SHYYOLAWIFJJJF-OAHLLOKOSA-N 2 0 338.456 -0.358 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622028713 379398918 /nfs/dbraw/zinc/39/89/18/379398918.db2.gz VBNFFHAKAMWEQJ-BBRMVZONSA-N 2 0 326.441 -0.637 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+]C2(CO)CCOCC2)C1 ZINC000069248007 379456789 /nfs/dbraw/zinc/45/67/89/379456789.db2.gz TVLPKQSFXSGLDJ-OAHLLOKOSA-N 2 0 343.468 -0.410 20 0 EBADRP CC1(C)CC(NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC(C)(C)[NH2+]1 ZINC000627390766 379578714 /nfs/dbraw/zinc/57/87/14/379578714.db2.gz WWLPBBUQIKSTDK-LBPRGKRZSA-N 2 0 326.441 -0.484 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000627390345 379578886 /nfs/dbraw/zinc/57/88/86/379578886.db2.gz KCPIHVHLFSCMST-UHFFFAOYSA-N 2 0 328.457 -0.155 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627430040 379595932 /nfs/dbraw/zinc/59/59/32/379595932.db2.gz JBKJSHCUXIXRIU-ZDUSSCGKSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)CCO1 ZINC000642080371 379560541 /nfs/dbraw/zinc/56/05/41/379560541.db2.gz PDJHETZSKNTRPB-OLZOCXBDSA-N 2 0 326.441 -0.448 20 0 EBADRP C[C@H]1CC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[NH2+]1 ZINC000627364300 379566047 /nfs/dbraw/zinc/56/60/47/379566047.db2.gz MBTWGLPDCVJIRU-GJZGRUSLSA-N 2 0 339.484 -0.613 20 0 EBADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627381390 379573474 /nfs/dbraw/zinc/57/34/74/379573474.db2.gz QFIQLVKMLGVRAA-CQSZACIVSA-N 2 0 331.420 -0.108 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627384381 379576256 /nfs/dbraw/zinc/57/62/56/379576256.db2.gz CYGJWMXFAAXQPF-ZDUSSCGKSA-N 2 0 326.441 -0.528 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCOCCC[NH3+])[C@H](C)C1 ZINC000627488575 379636312 /nfs/dbraw/zinc/63/63/12/379636312.db2.gz CIGSFJUVEAIBGB-KGLIPLIRSA-N 2 0 328.457 -0.343 20 0 EBADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627487266 379637778 /nfs/dbraw/zinc/63/77/78/379637778.db2.gz YGHHWANHRKXYON-UHFFFAOYSA-N 2 0 326.441 -0.445 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000627502618 379645265 /nfs/dbraw/zinc/64/52/65/379645265.db2.gz DUHXQCIBLOHDHU-RRFJBIMHSA-N 2 0 338.452 -0.576 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+][C@H]3C)CC2)c1 ZINC000627503336 379646239 /nfs/dbraw/zinc/64/62/39/379646239.db2.gz ILTHVFIJWJNOTB-GXTWGEPZSA-N 2 0 347.419 -0.395 20 0 EBADRP C[C@@H]1CN(C[C@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000627507151 379648837 /nfs/dbraw/zinc/64/88/37/379648837.db2.gz CZDMDQKHVNNITE-LXTVHRRPSA-N 2 0 338.452 -0.435 20 0 EBADRP C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000627507149 379649156 /nfs/dbraw/zinc/64/91/56/379649156.db2.gz CZDMDQKHVNNITE-BARDWOONSA-N 2 0 338.452 -0.435 20 0 EBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)NCC3([NH3+])CCOCC3)CC[C@H]21 ZINC000627454811 379605492 /nfs/dbraw/zinc/60/54/92/379605492.db2.gz ZZNLCCGUDZKFJR-UONOGXRCSA-N 2 0 338.452 -0.447 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000627461429 379610047 /nfs/dbraw/zinc/61/00/47/379610047.db2.gz OZQFIJPTQMERNX-CQSZACIVSA-N 2 0 326.441 -0.717 20 0 EBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[NH2+]1 ZINC000627476655 379624475 /nfs/dbraw/zinc/62/44/75/379624475.db2.gz IWOUSTJLSOBICZ-ZIAGYGMSSA-N 2 0 331.420 -0.013 20 0 EBADRP CN1CCN(c2cc(NC[C@H]3C[N@@H+](C)CCN3C)ncn2)CC1=O ZINC000274984538 379728714 /nfs/dbraw/zinc/72/87/14/379728714.db2.gz ZSUYZSFXABOPKI-ZDUSSCGKSA-N 2 0 333.440 -0.587 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[NH2+]C2CC2)C1 ZINC000642222730 379745521 /nfs/dbraw/zinc/74/55/21/379745521.db2.gz YEAGCNBOOCFDKD-AWEZNQCLSA-N 2 0 326.441 -0.672 20 0 EBADRP [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631946903 379789088 /nfs/dbraw/zinc/78/90/88/379789088.db2.gz NOZZQEAKJUPCEE-HIFRSBDPSA-N 2 0 325.434 -0.137 20 0 EBADRP [NH3+]CCCOCCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000627091689 379802788 /nfs/dbraw/zinc/80/27/88/379802788.db2.gz WXVDPKRLEGGDGZ-LLVKDONJSA-N 2 0 341.378 -0.513 20 0 EBADRP O=C(NC[C@@H]1CN(Cc2ccncc2)CCO1)NC[C@H]1C[NH2+]CCO1 ZINC000627103803 379805171 /nfs/dbraw/zinc/80/51/71/379805171.db2.gz NJOHTAVCVRBYBO-HZPDHXFCSA-N 2 0 349.435 -0.430 20 0 EBADRP C[C@@H]1C[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@H]1C[NH3+] ZINC000631840780 379762589 /nfs/dbraw/zinc/76/25/89/379762589.db2.gz VQTHTKDNKVQPKX-VXGBXAGGSA-N 2 0 334.424 -0.650 20 0 EBADRP C[NH2+]CCOCCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000626973912 379768361 /nfs/dbraw/zinc/76/83/61/379768361.db2.gz LVPATEMCUHYNBL-UHFFFAOYSA-N 2 0 343.472 -0.536 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000631906123 379770201 /nfs/dbraw/zinc/77/02/01/379770201.db2.gz DICKZOXYDGJLJX-CABCVRRESA-N 2 0 330.498 -0.220 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000626986959 379772387 /nfs/dbraw/zinc/77/23/87/379772387.db2.gz RWSCVWZTVWZKBE-LSDHHAIUSA-N 2 0 327.473 -0.452 20 0 EBADRP C[NH2+]CCOCCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000627002280 379775446 /nfs/dbraw/zinc/77/54/46/379775446.db2.gz PGYZAMSIOANHNB-HUUCEWRRSA-N 2 0 328.457 -0.101 20 0 EBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000631926445 379782866 /nfs/dbraw/zinc/78/28/66/379782866.db2.gz YAPMUAPDVZONCS-CQSZACIVSA-N 2 0 346.497 -0.431 20 0 EBADRP C[C@@H]1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@@H]1C[NH3+] ZINC000631944267 379787055 /nfs/dbraw/zinc/78/70/55/379787055.db2.gz RYWNIJUKEVAUNG-CABCVRRESA-N 2 0 332.514 -0.130 20 0 EBADRP C[C@@H]1CC[C@@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C[NH2+]1 ZINC000627210128 379838707 /nfs/dbraw/zinc/83/87/07/379838707.db2.gz MMQKQOPPLRRPFL-ZIAGYGMSSA-N 2 0 338.456 -0.521 20 0 EBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637810527 379862317 /nfs/dbraw/zinc/86/23/17/379862317.db2.gz LTHXPRURBYFGIB-MRXNPFEDSA-N 2 0 347.463 -0.664 20 0 EBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000637811819 379862791 /nfs/dbraw/zinc/86/27/91/379862791.db2.gz XAEADRWAXIEQMT-UHFFFAOYSA-N 2 0 330.432 -0.235 20 0 EBADRP COC[C@]1(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCCC[NH2+]1 ZINC000637820335 379865681 /nfs/dbraw/zinc/86/56/81/379865681.db2.gz WQZSLLBQJCPIRS-CJNGLKHVSA-N 2 0 326.441 -0.541 20 0 EBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000637813945 379865894 /nfs/dbraw/zinc/86/58/94/379865894.db2.gz UGGDCEYLAWQCAS-GRDNDAEWSA-N 2 0 338.452 -0.576 20 0 EBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000632999726 379920308 /nfs/dbraw/zinc/92/03/08/379920308.db2.gz AXLPWLPFXIKSTF-LBPRGKRZSA-N 2 0 334.424 -0.091 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NCCOCCC[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000627485148 379904284 /nfs/dbraw/zinc/90/42/84/379904284.db2.gz SZVQBRCEDNPCAV-KGLIPLIRSA-N 2 0 328.457 -0.295 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)N1CCOC(C)(C)C1 ZINC000538541415 379977458 /nfs/dbraw/zinc/97/74/58/379977458.db2.gz YJVDOCPJFLPZGS-UHFFFAOYSA-N 2 0 336.502 -0.233 20 0 EBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633092142 379934999 /nfs/dbraw/zinc/93/49/99/379934999.db2.gz NLTOIWOAAVTUAT-OKILXGFUSA-N 2 0 338.452 -0.746 20 0 EBADRP CC1([NH+]2CCCC2)CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000633106736 379940202 /nfs/dbraw/zinc/94/02/02/379940202.db2.gz VYOZEGFORBYCPQ-AWEZNQCLSA-N 2 0 338.452 -0.351 20 0 EBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000633116082 379943746 /nfs/dbraw/zinc/94/37/46/379943746.db2.gz ORWYVCPBSHZXIW-ZFWWWQNUSA-N 2 0 338.452 -0.495 20 0 EBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000633118687 379945841 /nfs/dbraw/zinc/94/58/41/379945841.db2.gz ROEVEYGFKJAVJL-CYBMUJFWSA-N 2 0 326.441 -0.495 20 0 EBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000340107438 380034108 /nfs/dbraw/zinc/03/41/08/380034108.db2.gz DALBHEKLRHIUIG-AWEZNQCLSA-N 2 0 341.500 -0.415 20 0 EBADRP CCN(CCC[NH+]1CCCC1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000634233446 379990945 /nfs/dbraw/zinc/99/09/45/379990945.db2.gz IMDOFGJHARZLQT-UHFFFAOYSA-N 2 0 325.457 -0.064 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](CO)C[NH+](C)C)CC1=O ZINC000614855302 379999348 /nfs/dbraw/zinc/99/93/48/379999348.db2.gz XAXVKNSBYUQCGN-RRFJBIMHSA-N 2 0 340.468 -0.642 20 0 EBADRP CNS(=O)(=O)c1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)co1 ZINC000131513492 380079784 /nfs/dbraw/zinc/07/97/84/380079784.db2.gz AJWRNLQKOWCSMX-UHFFFAOYSA-N 2 0 346.453 -0.247 20 0 EBADRP C[NH+](C)CCN1C[C@@H](C(=O)NCC2([NH+](C)C)CCOCC2)CC1=O ZINC000074677964 380106391 /nfs/dbraw/zinc/10/63/91/380106391.db2.gz UBSMAQZQRSEUIU-AWEZNQCLSA-N 2 0 340.468 -0.377 20 0 EBADRP CNC(=O)N[C@@H]1CC[NH+](CCCC[N@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000546638366 380117568 /nfs/dbraw/zinc/11/75/68/380117568.db2.gz OMBMXLPAZDUGHJ-OKILXGFUSA-N 2 0 340.472 -0.227 20 0 EBADRP C[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000135023044 380161095 /nfs/dbraw/zinc/16/10/95/380161095.db2.gz ASIVVXGTZKPALS-CYBMUJFWSA-N 2 0 328.482 -0.344 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NCC[NH+]1CCC[C@@H](C)C1 ZINC000340214318 380263094 /nfs/dbraw/zinc/26/30/94/380263094.db2.gz ULOBWGWTAYCOTL-CQSZACIVSA-N 2 0 328.457 -0.471 20 0 EBADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000564552735 380373948 /nfs/dbraw/zinc/37/39/48/380373948.db2.gz JVMLFZBPEGVOJA-HNNXBMFYSA-N 2 0 341.500 -0.284 20 0 EBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000340268199 380392570 /nfs/dbraw/zinc/39/25/70/380392570.db2.gz QBLUZDUURRVTRN-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP CC[C@H](CO)[NH+]1CCN(CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000362384362 380398177 /nfs/dbraw/zinc/39/81/77/380398177.db2.gz YAHTXKPGOUKRHL-MRXNPFEDSA-N 2 0 326.485 -0.025 20 0 EBADRP CN1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)[C@H](C[NH3+])C1 ZINC000565482877 380421672 /nfs/dbraw/zinc/42/16/72/380421672.db2.gz SDTQQUMVOZADFL-OAHLLOKOSA-N 2 0 332.452 -0.452 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000627486550 380494596 /nfs/dbraw/zinc/49/45/96/380494596.db2.gz DNYKAEOJJGXQFS-UHFFFAOYSA-N 2 0 340.468 -0.198 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000340431029 380496703 /nfs/dbraw/zinc/49/67/03/380496703.db2.gz IRPJFMNHHBIMBC-OAHLLOKOSA-N 2 0 346.497 -0.766 20 0 EBADRP C[NH+]1CCC(C[NH2+]C[C@H](O)Cn2cccn2)(N2CCOCC2)CC1 ZINC000567104610 380501598 /nfs/dbraw/zinc/50/15/98/380501598.db2.gz WMRLGULQZBPVFA-INIZCTEOSA-N 2 0 337.468 -0.370 20 0 EBADRP COCC[N@H+](C)C[C@H](O)CN1CCC(N(C)S(C)(=O)=O)CC1 ZINC000572583432 380517346 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327.425 -0.164 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000340583567 380557457 /nfs/dbraw/zinc/55/74/57/380557457.db2.gz HNTMLGURAHOAJJ-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)CCOCC[NH3+])CC1=O ZINC000638675983 380568450 /nfs/dbraw/zinc/56/84/50/380568450.db2.gz MVZBTGXOBSTDJJ-CABCVRRESA-N 2 0 340.468 -0.247 20 0 EBADRP CCN1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000369926670 380580049 /nfs/dbraw/zinc/58/00/49/380580049.db2.gz KNPJRHZNRVKHGR-HOTGVXAUSA-N 2 0 340.468 -0.770 20 0 EBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000569123992 380631377 /nfs/dbraw/zinc/63/13/77/380631377.db2.gz YJPXWGLACRBKRZ-HUUCEWRRSA-N 2 0 339.484 -0.676 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)C1 ZINC000340799894 380634699 /nfs/dbraw/zinc/63/46/99/380634699.db2.gz QIWFFXLLAWYULJ-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP CCC[C@@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[N@@H+]1CCOC ZINC000568751878 380615508 /nfs/dbraw/zinc/61/55/08/380615508.db2.gz LOGPEOFSOFVYHV-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)CC(C)(CO)CO)C1 ZINC000370749779 380625835 /nfs/dbraw/zinc/62/58/35/380625835.db2.gz XFOBAHLEYAJFAC-OAHLLOKOSA-N 2 0 345.484 -0.618 20 0 EBADRP C[C@H](C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)S(C)(=O)=O ZINC000568992205 380626057 /nfs/dbraw/zinc/62/60/57/380626057.db2.gz ZSKQDZDDZZKGFT-CQSZACIVSA-N 2 0 333.498 -0.194 20 0 EBADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000573355382 380670933 /nfs/dbraw/zinc/67/09/33/380670933.db2.gz ZKHCYHQNXLTASW-CYBMUJFWSA-N 2 0 326.441 -0.495 20 0 EBADRP CC[NH2+]CCCNC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000573905228 380692779 /nfs/dbraw/zinc/69/27/79/380692779.db2.gz PLXAAFUZSRVAEF-AWEZNQCLSA-N 2 0 328.457 -0.425 20 0 EBADRP O=C(NCCC[NH2+]C1CC1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418283715 380696334 /nfs/dbraw/zinc/69/63/34/380696334.db2.gz AMULXXAYLWFCNF-CQSZACIVSA-N 2 0 337.468 -0.018 20 0 EBADRP CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)[C@@H](C[NH3+])C1 ZINC000582410615 380757800 /nfs/dbraw/zinc/75/78/00/380757800.db2.gz IHRYYCJZWKUSEY-HIFRSBDPSA-N 2 0 337.468 -0.779 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000112362229 380763852 /nfs/dbraw/zinc/76/38/52/380763852.db2.gz ZYUJBCROASILOF-UHFFFAOYSA-N 2 0 342.465 -0.101 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2C[NH2+]CCN2C)C1 ZINC000580539385 380767031 /nfs/dbraw/zinc/76/70/31/380767031.db2.gz JJMJMJKMHYISCD-LSDHHAIUSA-N 2 0 327.473 -0.454 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H]2C[NH2+]CCN2C)C1 ZINC000580539380 380767438 /nfs/dbraw/zinc/76/74/38/380767438.db2.gz JJMJMJKMHYISCD-CABCVRRESA-N 2 0 327.473 -0.454 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[NH2+]C[C@@H]2C(F)F)C1 ZINC000576350043 380768302 /nfs/dbraw/zinc/76/83/02/380768302.db2.gz DQGRENDETOFJOA-UONOGXRCSA-N 2 0 348.438 -0.002 20 0 EBADRP [NH3+]CC(=O)NCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390897007 380740235 /nfs/dbraw/zinc/74/02/35/380740235.db2.gz KWMFHWIFOHCKFS-HNNXBMFYSA-N 2 0 334.420 -0.531 20 0 EBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627410232 380776792 /nfs/dbraw/zinc/77/67/92/380776792.db2.gz BBNLSRSLMOCCES-AWEZNQCLSA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCOc2ccc3c(c2)OCO3)CC1 ZINC000576979965 380792074 /nfs/dbraw/zinc/79/20/74/380792074.db2.gz JVORZZBPVKXWOU-AWEZNQCLSA-N 2 0 337.420 -0.008 20 0 EBADRP COCc1ccccc1CNC(=O)CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000580580168 380797049 /nfs/dbraw/zinc/79/70/49/380797049.db2.gz BVJJXEPVHXAEBW-HZPDHXFCSA-N 2 0 346.431 -0.307 20 0 EBADRP CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000374880800 380816444 /nfs/dbraw/zinc/81/64/44/380816444.db2.gz RVRSZBGVODWSFD-CQSZACIVSA-N 2 0 346.497 -0.447 20 0 EBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000418288045 380770321 /nfs/dbraw/zinc/77/03/21/380770321.db2.gz ALWMRGFBYXFVDE-LSDHHAIUSA-N 2 0 327.473 -0.622 20 0 EBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000583692605 380840443 /nfs/dbraw/zinc/84/04/43/380840443.db2.gz PMTIIGIHRRGREC-CQSZACIVSA-N 2 0 346.435 -0.312 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000417431645 380886115 /nfs/dbraw/zinc/88/61/15/380886115.db2.gz RJVOGXHKHSCQGV-ZIAGYGMSSA-N 2 0 325.457 -0.034 20 0 EBADRP O=C(CNC(=O)NCCCCC[NH+]1CCCC1)N1CC[NH2+]CC1 ZINC000578426399 380930857 /nfs/dbraw/zinc/93/08/57/380930857.db2.gz JBRGHGYRSBFYKN-UHFFFAOYSA-N 2 0 325.457 -0.017 20 0 EBADRP CC[NH+](C)CCNC(=O)[C@H]1CC[C@H](C(=O)NCC[N@@H+](C)CC)O1 ZINC000189498619 380905638 /nfs/dbraw/zinc/90/56/38/380905638.db2.gz HCHITGZLZNCSSP-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)C1(C)C ZINC000578234162 380916934 /nfs/dbraw/zinc/91/69/34/380916934.db2.gz OHNYVZFPTAKRSL-BLLLJJGKSA-N 2 0 326.441 -0.591 20 0 EBADRP CS[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000563794273 380950464 /nfs/dbraw/zinc/95/04/64/380950464.db2.gz OBTSCDGKDFDLEJ-CYBMUJFWSA-N 2 0 330.498 -0.098 20 0 EBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)c1 ZINC000377394291 380970651 /nfs/dbraw/zinc/97/06/51/380970651.db2.gz WRCMAZLUDGVHNP-DZGCQCFKSA-N 2 0 338.433 -0.138 20 0 EBADRP C[C@@H](NC(=O)C[NH2+]C[C@H]1CCCO1)C(=O)NCC[NH+]1CCCCC1 ZINC000579107688 380971277 /nfs/dbraw/zinc/97/12/77/380971277.db2.gz SXPBPJCSBBZAQQ-HUUCEWRRSA-N 2 0 340.468 -0.138 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)N2CCN(C)C[C@H]2C[NH3+])C[C@@H](C)O1 ZINC000581000878 381047969 /nfs/dbraw/zinc/04/79/69/381047969.db2.gz VVKLGYPTQVLKIB-RBSFLKMASA-N 2 0 327.473 -0.230 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000582606749 381053900 /nfs/dbraw/zinc/05/39/00/381053900.db2.gz UHMHHPHBTVVNQG-MELADBBJSA-N 2 0 327.473 -0.772 20 0 EBADRP CN(CC(C)(C)CO)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000582711626 381059537 /nfs/dbraw/zinc/05/95/37/381059537.db2.gz KMWKBJJUNQWUDP-UHFFFAOYSA-N 2 0 330.473 -0.585 20 0 EBADRP C[N@H+](CCN1CCN(c2nc(N)[nH+]c(N)n2)CC1)Cc1ccccc1 ZINC000623939177 381117124 /nfs/dbraw/zinc/11/71/24/381117124.db2.gz HVJOFFCHOFXLIT-UHFFFAOYSA-N 2 0 342.451 -0.049 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000347063242 381162259 /nfs/dbraw/zinc/16/22/59/381162259.db2.gz DKSPXTGTZBBMAX-HUUCEWRRSA-N 2 0 327.473 -0.358 20 0 EBADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000583861996 381169928 /nfs/dbraw/zinc/16/99/28/381169928.db2.gz KDLSFCIMPCEIFE-QLFBSQMISA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000347231569 381189550 /nfs/dbraw/zinc/18/95/50/381189550.db2.gz NSCZRYSZWBFZFL-CABCVRRESA-N 2 0 340.468 -0.688 20 0 EBADRP CC[NH+](C)C[C@H](O)CN1C[C@@H]2C[C@H]1CN2C[C@H](O)C[N@@H+](C)CC ZINC000640049900 381197950 /nfs/dbraw/zinc/19/79/50/381197950.db2.gz TUVPVEIJIIAGBJ-LUKYLMHMSA-N 2 0 328.501 -0.630 20 0 EBADRP O=S(=O)(N1CCOCC1)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000584771339 381207425 /nfs/dbraw/zinc/20/74/25/381207425.db2.gz HCIQUXQMHSKALC-CQSZACIVSA-N 2 0 332.470 -0.819 20 0 EBADRP [NH3+]CC(=O)NCC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000347657507 381249805 /nfs/dbraw/zinc/24/98/05/381249805.db2.gz SFAKOMHJRKKFBN-UHFFFAOYSA-N 2 0 334.420 -0.148 20 0 EBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000347959655 381294127 /nfs/dbraw/zinc/29/41/27/381294127.db2.gz GYRHDYVOOYSQMY-CQSZACIVSA-N 2 0 327.473 -0.853 20 0 EBADRP COc1cccc([C@H](CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)[NH+](C)C)c1 ZINC000418839098 381297720 /nfs/dbraw/zinc/29/77/20/381297720.db2.gz CZXIKWIGFBLUFZ-ZFWWWQNUSA-N 2 0 334.420 -0.026 20 0 EBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000347971120 381303874 /nfs/dbraw/zinc/30/38/74/381303874.db2.gz MWGALBZQJKXFGV-CQSZACIVSA-N 2 0 339.484 -0.709 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000347760064 381272449 /nfs/dbraw/zinc/27/24/49/381272449.db2.gz JUNHHKMHMFVRRA-KBPBESRZSA-N 2 0 328.457 -0.378 20 0 EBADRP CC1CC[NH+](C[C@H](O)CNC(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000418802612 381277568 /nfs/dbraw/zinc/27/75/68/381277568.db2.gz YFDDNOFCRNSTIU-CABCVRRESA-N 2 0 328.457 -0.243 20 0 EBADRP Cc1ccc([C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[NH+](C)C)cc1 ZINC000418805590 381278705 /nfs/dbraw/zinc/27/87/05/381278705.db2.gz BPNCRJKZXVBELS-HNNXBMFYSA-N 2 0 336.436 -0.506 20 0 EBADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CCCC1 ZINC000418803000 381279858 /nfs/dbraw/zinc/27/98/58/381279858.db2.gz KYHCINRSZHSNEX-CQSZACIVSA-N 2 0 340.468 -0.199 20 0 EBADRP CN(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)S(C)(=O)=O ZINC000347992051 381322442 /nfs/dbraw/zinc/32/24/42/381322442.db2.gz DPZOSXSKZMJIEW-UHFFFAOYSA-N 2 0 336.502 -0.390 20 0 EBADRP CN1CC(=O)N(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1=O ZINC000348035642 381330478 /nfs/dbraw/zinc/33/04/78/381330478.db2.gz YPFIGBOXEPWDIG-UHFFFAOYSA-N 2 0 341.456 -0.388 20 0 EBADRP CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000418881650 381331297 /nfs/dbraw/zinc/33/12/97/381331297.db2.gz XTBKAQIHDVUENY-DGCLKSJQSA-N 2 0 326.441 -0.184 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000418920372 381338391 /nfs/dbraw/zinc/33/83/91/381338391.db2.gz KTSWBFPVKLYBQL-KFWWJZLASA-N 2 0 340.468 -0.426 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000418943141 381343780 /nfs/dbraw/zinc/34/37/80/381343780.db2.gz MLZFSAIPRZDRPG-HNNXBMFYSA-N 2 0 334.420 -0.579 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000418914335 381347328 /nfs/dbraw/zinc/34/73/28/381347328.db2.gz FHKPTGPZEVKAJT-KGLIPLIRSA-N 2 0 326.441 -0.687 20 0 EBADRP C[N@H+](CCCNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000418990473 381349207 /nfs/dbraw/zinc/34/92/07/381349207.db2.gz CNYRMQUGRNOWRC-MRXNPFEDSA-N 2 0 348.447 -0.271 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000418955645 381349284 /nfs/dbraw/zinc/34/92/84/381349284.db2.gz YDNGYBADGAFTRG-ZBFHGGJFSA-N 2 0 348.447 -0.191 20 0 EBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419083946 381365089 /nfs/dbraw/zinc/36/50/89/381365089.db2.gz XTIXPMMNUAEKMB-HUUCEWRRSA-N 2 0 340.468 -0.138 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@H](C)C[NH2+]1 ZINC000419187809 381404303 /nfs/dbraw/zinc/40/43/03/381404303.db2.gz RNPYFFXCDDUWIK-ZIAGYGMSSA-N 2 0 339.484 -0.663 20 0 EBADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419167597 381390833 /nfs/dbraw/zinc/39/08/33/381390833.db2.gz IZWYSYRFQUDFRG-CABCVRRESA-N 2 0 340.468 -0.138 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000419145513 381397182 /nfs/dbraw/zinc/39/71/82/381397182.db2.gz GROXHQQSTHYBIY-AWEZNQCLSA-N 2 0 328.457 -0.425 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419225157 381401935 /nfs/dbraw/zinc/40/19/35/381401935.db2.gz GPBGIVLXNANCFC-OAHLLOKOSA-N 2 0 340.468 -0.281 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419537418 381451377 /nfs/dbraw/zinc/45/13/77/381451377.db2.gz NNAZDSJVYNFTMG-RRFJBIMHSA-N 2 0 338.452 -0.719 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000419536347 381450391 /nfs/dbraw/zinc/45/03/91/381450391.db2.gz LYDTXQOQYANONU-BFHYXJOUSA-N 2 0 326.441 -0.591 20 0 EBADRP [NH3+]CCN(CCO)C(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000419417720 381431855 /nfs/dbraw/zinc/43/18/55/381431855.db2.gz IBPNAYSALFLSNF-MRXNPFEDSA-N 2 0 348.447 -0.281 20 0 EBADRP CC1CC[NH+](CCNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000419415634 381431941 /nfs/dbraw/zinc/43/19/41/381431941.db2.gz VMVBOSFMMBBCNN-CQSZACIVSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419424734 381434388 /nfs/dbraw/zinc/43/43/88/381434388.db2.gz ULGLUGYJPDHTEL-HNNXBMFYSA-N 2 0 347.463 -0.222 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000419452955 381442099 /nfs/dbraw/zinc/44/20/99/381442099.db2.gz QOEMHNGBCMXZFO-ZIAGYGMSSA-N 2 0 328.457 -0.486 20 0 EBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000419488051 381446587 /nfs/dbraw/zinc/44/65/87/381446587.db2.gz ZVUNUZTVOXUBRK-HUUCEWRRSA-N 2 0 342.484 -0.360 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000419537363 381451201 /nfs/dbraw/zinc/45/12/01/381451201.db2.gz NEAKSFQOAMVDGW-MCIONIFRSA-N 2 0 326.441 -0.672 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000419532021 381448721 /nfs/dbraw/zinc/44/87/21/381448721.db2.gz GOCKDDJEUBKBSH-QLFBSQMISA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@H](NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)C1=CC[N@H+](C)CC1 ZINC000419633689 381471292 /nfs/dbraw/zinc/47/12/92/381471292.db2.gz ZJDJIBQYUXOFAQ-OBJOEFQTSA-N 2 0 338.452 -0.018 20 0 EBADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(CC[NH3+])CCO ZINC000419688863 381473624 /nfs/dbraw/zinc/47/36/24/381473624.db2.gz BHBLXDAHOIXOCM-AWEZNQCLSA-N 2 0 328.457 -0.607 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000419722128 381478834 /nfs/dbraw/zinc/47/88/34/381478834.db2.gz DIBTXKBXLRDIEP-UONOGXRCSA-N 2 0 340.468 -0.282 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000419678492 381480687 /nfs/dbraw/zinc/48/06/87/381480687.db2.gz OFDFKHXVNFQUKG-KGLIPLIRSA-N 2 0 328.457 -0.343 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419681731 381482781 /nfs/dbraw/zinc/48/27/81/381482781.db2.gz SCXIQYTZPVODMU-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419551810 381452978 /nfs/dbraw/zinc/45/29/78/381452978.db2.gz XVKMTEXHRRNTJI-YOEHRIQHSA-N 2 0 338.452 -0.575 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000419547204 381453662 /nfs/dbraw/zinc/45/36/62/381453662.db2.gz RFHPSRCYQKDRAC-MELADBBJSA-N 2 0 326.441 -0.578 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CCSC1 ZINC000419590689 381459869 /nfs/dbraw/zinc/45/98/69/381459869.db2.gz UNQYEQMHZDVKLK-IUODEOHRSA-N 2 0 328.482 -0.202 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419847641 381507164 /nfs/dbraw/zinc/50/71/64/381507164.db2.gz UAQGPODYWGUQJQ-ZDUSSCGKSA-N 2 0 347.419 -0.393 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000349890314 381492819 /nfs/dbraw/zinc/49/28/19/381492819.db2.gz DAOMLDBCMXAFMZ-LSDHHAIUSA-N 2 0 327.473 -0.358 20 0 EBADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000419807133 381496268 /nfs/dbraw/zinc/49/62/68/381496268.db2.gz IISOVGXAOPFBGK-JKSUJKDBSA-N 2 0 348.447 -0.018 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000419813489 381497508 /nfs/dbraw/zinc/49/75/08/381497508.db2.gz HDHBSCRUHRCCII-CABCVRRESA-N 2 0 339.484 -0.804 20 0 EBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000419974496 381523522 /nfs/dbraw/zinc/52/35/22/381523522.db2.gz IKXMLEPMJZTMDN-UONOGXRCSA-N 2 0 342.484 -0.220 20 0 EBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419987855 381526343 /nfs/dbraw/zinc/52/63/43/381526343.db2.gz YXEAIEWKGRGGNZ-MELADBBJSA-N 2 0 328.457 -0.426 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000420029956 381532593 /nfs/dbraw/zinc/53/25/93/381532593.db2.gz FYLVFRBLBBVBJT-AVGNSLFASA-N 2 0 326.441 -0.232 20 0 EBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000420031331 381533100 /nfs/dbraw/zinc/53/31/00/381533100.db2.gz RRIBFJRNMTUREJ-RRFJBIMHSA-N 2 0 339.484 -0.533 20 0 EBADRP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420347735 381579536 /nfs/dbraw/zinc/57/95/36/381579536.db2.gz HXZNKCQBFDYRPU-UONOGXRCSA-N 2 0 325.457 -0.164 20 0 EBADRP NCC(F)(F)CNC(=O)C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000420166059 381553055 /nfs/dbraw/zinc/55/30/55/381553055.db2.gz IDNHXUCSAWOJSK-NSHDSACASA-N 2 0 334.367 -0.980 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000420182384 381564536 /nfs/dbraw/zinc/56/45/36/381564536.db2.gz JPVJZMOHANPJPV-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000420185314 381564740 /nfs/dbraw/zinc/56/47/40/381564740.db2.gz PCWBURGVNZWSNR-ZIAGYGMSSA-N 2 0 328.457 -0.425 20 0 EBADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420193572 381566382 /nfs/dbraw/zinc/56/63/82/381566382.db2.gz CPIFBZWRUGHRBG-OAHLLOKOSA-N 2 0 342.484 -0.083 20 0 EBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420194695 381566928 /nfs/dbraw/zinc/56/69/28/381566928.db2.gz SSXGKWLWJVKYJH-CQSZACIVSA-N 2 0 328.457 -0.473 20 0 EBADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000643482846 381608632 /nfs/dbraw/zinc/60/86/32/381608632.db2.gz CQWHGBXHEQUFAO-KGLIPLIRSA-N 2 0 328.457 -0.393 20 0 EBADRP C[NH+](C[C@@H](O)CN1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1)C1CC1 ZINC000351332474 381619459 /nfs/dbraw/zinc/61/94/59/381619459.db2.gz ACIMXZIAWIADMX-QZTJIDSGSA-N 2 0 340.512 -0.486 20 0 EBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000351526462 381637745 /nfs/dbraw/zinc/63/77/45/381637745.db2.gz WYKIUHOIBKCUJE-LSDHHAIUSA-N 2 0 338.452 -0.575 20 0 EBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000351539985 381639712 /nfs/dbraw/zinc/63/97/12/381639712.db2.gz NWPSFXAXBZXKKX-OAHLLOKOSA-N 2 0 338.452 -0.575 20 0 EBADRP CN1NN=C2C1=NCC[C@@H]2C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000611975192 381749424 /nfs/dbraw/zinc/74/94/24/381749424.db2.gz YFKZIIJJCCNFMD-ZDUSSCGKSA-N 2 0 335.456 -0.647 20 0 EBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627453819 381766581 /nfs/dbraw/zinc/76/65/81/381766581.db2.gz YPBMISCWURGDJR-UHFFFAOYSA-N 2 0 326.441 -0.447 20 0 EBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000612548634 381840431 /nfs/dbraw/zinc/84/04/31/381840431.db2.gz PBVHLLSMLIDFID-OAHLLOKOSA-N 3 0 341.500 -0.461 20 0 EBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000332526252 381806331 /nfs/dbraw/zinc/80/63/31/381806331.db2.gz FDLFAJYSXIJYNT-ZIAGYGMSSA-N 2 0 338.452 -0.352 20 0 EBADRP C[C@H]1C[C@H](C[NH+]2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC[NH2+]1 ZINC000332552964 381812662 /nfs/dbraw/zinc/81/26/62/381812662.db2.gz QYTPXWMPHCGUBO-LSDHHAIUSA-N 2 0 338.452 -0.623 20 0 EBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@]2(C)CC[NH2+]C2)CC1 ZINC000612879049 381875708 /nfs/dbraw/zinc/87/57/08/381875708.db2.gz RRIXIMMVIWKSMT-INIZCTEOSA-N 2 0 325.457 -0.020 20 0 EBADRP C[NH2+]CCNC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612916225 381877126 /nfs/dbraw/zinc/87/71/26/381877126.db2.gz XLEQHNRGNCNWQA-ZDUSSCGKSA-N 2 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ZINC000617765456 381972347 /nfs/dbraw/zinc/97/23/47/381972347.db2.gz BEDGNVYAMAWFIZ-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C[C@@H](C)O)C[C@H]2C)C1 ZINC000353554932 382156449 /nfs/dbraw/zinc/15/64/49/382156449.db2.gz YGXPOKJPITTXBU-KFWWJZLASA-N 2 0 328.457 -0.196 20 0 EBADRP CCN(C(=O)[C@@H](C)N(C)CCOCC[NH2+]C)[C@@H]1CCS(=O)(=O)C1 ZINC000629569582 382231214 /nfs/dbraw/zinc/23/12/14/382231214.db2.gz QGCDUJWLVDNEBO-ZIAGYGMSSA-N 2 0 349.497 -0.422 20 0 EBADRP C[NH2+]CCOCCN(C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000629568976 382231359 /nfs/dbraw/zinc/23/13/59/382231359.db2.gz YLFUYMDBKJKGMT-UHFFFAOYSA-N 2 0 344.437 -0.560 20 0 EBADRP CC[NH+]1CCN([C@H](C)CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000354730736 285335109 /nfs/dbraw/zinc/33/51/09/285335109.db2.gz APSVNNCRZPZLQB-HUUCEWRRSA-N 2 0 339.484 -0.613 20 0 EBADRP COC(CNC(=O)[C@H]1CCC[NH+]1C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000345221809 292079852 /nfs/dbraw/zinc/07/98/52/292079852.db2.gz LBWLMHVEXIRMKT-ZIAGYGMSSA-N 2 0 326.441 -0.578 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CCSC1 ZINC000331406191 155367580 /nfs/dbraw/zinc/36/75/80/155367580.db2.gz BDCPMGAOOSPNMK-WWGRRREGSA-N 2 0 340.493 -0.392 20 0 EBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000331661657 155389392 /nfs/dbraw/zinc/38/93/92/155389392.db2.gz OWLOGTDFLQKGIC-CHWSQXEVSA-N 2 0 326.441 -0.230 20 0 EBADRP CC[C@@](C)([NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C(N)=O ZINC000177130258 154113904 /nfs/dbraw/zinc/11/39/04/154113904.db2.gz OLSNQRSBUJMOKW-XJKSGUPXSA-N 2 0 328.457 -0.297 20 0 EBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000187979461 154149886 /nfs/dbraw/zinc/14/98/86/154149886.db2.gz KKARJQDETNXJLM-LSDHHAIUSA-N 2 0 333.436 -0.174 20 0 EBADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2C[NH2+]CCO2)cc1 ZINC000237171928 154171378 /nfs/dbraw/zinc/17/13/78/154171378.db2.gz GQYZDJMWQPYGMF-HNNXBMFYSA-N 2 0 334.420 -0.417 20 0 EBADRP 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ZJGNOSWNUILFRG-GFCCVEGCSA-N 2 0 325.461 -0.498 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000358556125 157257727 /nfs/dbraw/zinc/25/77/27/157257727.db2.gz FWQWDWWEGUWPBF-CQSZACIVSA-N 2 0 328.457 -0.519 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000358564747 157260769 /nfs/dbraw/zinc/26/07/69/157260769.db2.gz SSYVJDNYWHYALU-STQMWFEESA-N 2 0 326.441 -0.578 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000358573432 157264414 /nfs/dbraw/zinc/26/44/14/157264414.db2.gz RNUZSCOXVXDQJE-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP CO[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)[C@H](C[NH3+])C1 ZINC000359210008 157302126 /nfs/dbraw/zinc/30/21/26/157302126.db2.gz IOXIVYWQWJULHP-HZSPNIEDSA-N 2 0 326.441 -0.639 20 0 EBADRP C[NH+](CCOCC[N@@H+](C)[C@@]1(CO)CCOC1)[C@@]1(CO)CCOC1 ZINC000359570485 157333029 /nfs/dbraw/zinc/33/30/29/157333029.db2.gz IJRPQHUREDUBGT-HZPDHXFCSA-N 2 0 332.441 -0.831 20 0 EBADRP COC(=O)[C@@H]1CCN(CC2(C[N@@H+]3CC[C@H](C(=O)OC)C3)COC2)C1 ZINC000359990689 157352221 /nfs/dbraw/zinc/35/22/21/157352221.db2.gz DUVBPNYFPYVPDV-OKILXGFUSA-N 2 0 340.420 -0.007 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000360274652 157370505 /nfs/dbraw/zinc/37/05/05/157370505.db2.gz ZERQOKLHLHEWSL-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP CCOC(CNC(=O)[C@@H]1CCC[NH+]1C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000360592009 157387862 /nfs/dbraw/zinc/38/78/62/157387862.db2.gz VAWKDQDQEHMMMZ-GJZGRUSLSA-N 2 0 340.468 -0.188 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419551271 419015877 /nfs/dbraw/zinc/01/58/77/419015877.db2.gz XJSZHOMCGQUHKV-BFHYXJOUSA-N 2 0 326.441 -0.401 20 0 EBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(CCOC)CC[NH+](C)C)C1 ZINC000410500204 419035768 /nfs/dbraw/zinc/03/57/68/419035768.db2.gz AINURCHWMCRFRV-OAHLLOKOSA-N 2 0 342.484 -0.034 20 0 EBADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000665760299 419009825 /nfs/dbraw/zinc/00/98/25/419009825.db2.gz FPNJQLYBRCGQEL-HOCLYGCPSA-N 2 0 329.489 -0.376 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CCO1 ZINC000642800840 419011650 /nfs/dbraw/zinc/01/16/50/419011650.db2.gz XODPMGMRRDMVBM-AEGPPILISA-N 2 0 338.452 -0.306 20 0 EBADRP C[N@H+](CCN1CCCS1(=O)=O)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000647552599 419113883 /nfs/dbraw/zinc/11/38/83/419113883.db2.gz KHNCEYINMKWRCM-ZDUSSCGKSA-N 2 0 332.470 -0.849 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000647594194 419120545 /nfs/dbraw/zinc/12/05/45/419120545.db2.gz PIPXCAFZNAIKGK-BFHYXJOUSA-N 2 0 339.484 -0.487 20 0 EBADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000653260637 419054285 /nfs/dbraw/zinc/05/42/85/419054285.db2.gz JBAQOSXPYOVKRT-BARDWOONSA-N 2 0 338.452 -0.258 20 0 EBADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655448460 419055028 /nfs/dbraw/zinc/05/50/28/419055028.db2.gz KVKNZBQNCFOKPG-NUJGCVRESA-N 2 0 336.480 -0.101 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000644529416 419169241 /nfs/dbraw/zinc/16/92/41/419169241.db2.gz IGPCPVDQMUIKNS-WBVHZDCISA-N 2 0 332.448 -0.010 20 0 EBADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@@H](O)CN3CCOCC3)C2)CC1 ZINC000644562011 419169787 /nfs/dbraw/zinc/16/97/87/419169787.db2.gz NZIYEOZZEBZAHM-NVXWUHKLSA-N 2 0 326.485 -0.562 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C[C@H]1C[NH3+] ZINC000652672186 419247408 /nfs/dbraw/zinc/24/74/08/419247408.db2.gz ASXCNUJTEMZYQU-RRFJBIMHSA-N 2 0 340.468 -0.343 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652670537 419247476 /nfs/dbraw/zinc/24/74/76/419247476.db2.gz VTUCGEVDIQXEQM-AWEZNQCLSA-N 2 0 340.468 -0.295 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652670584 419247858 /nfs/dbraw/zinc/24/78/58/419247858.db2.gz XMCWSCVHTDSLSD-UHFFFAOYSA-N 2 0 340.468 -0.281 20 0 EBADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1=O ZINC000644893999 419260323 /nfs/dbraw/zinc/26/03/23/419260323.db2.gz BUCXUTKPHCPPHQ-KBPBESRZSA-N 2 0 326.441 -0.624 20 0 EBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CC4CC3(C[NH3+])C4)C2)CC1 ZINC000595995777 419230061 /nfs/dbraw/zinc/23/00/61/419230061.db2.gz XAJGAMDSDJCYOY-SWKXRBFHSA-N 2 0 349.479 -0.826 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000652623298 419241393 /nfs/dbraw/zinc/24/13/93/419241393.db2.gz FTQZSBZRKAZPQM-KRWDZBQOSA-N 2 0 348.451 -0.015 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)C[C@H]1C[NH3+] ZINC000652729531 419324674 /nfs/dbraw/zinc/32/46/74/419324674.db2.gz JNVZJZIWMJYNTP-APIJFGDWSA-N 2 0 340.468 -0.393 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)CC1 ZINC000652728842 419322949 /nfs/dbraw/zinc/32/29/49/419322949.db2.gz CWUQQQPKXGQUHX-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000340418329 419356748 /nfs/dbraw/zinc/35/67/48/419356748.db2.gz AJPYFDDTJNXBOK-DOMZBBRYSA-N 2 0 330.498 -0.004 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000340805272 419380641 /nfs/dbraw/zinc/38/06/41/419380641.db2.gz UTKABLYTPYDACL-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000347760066 419492084 /nfs/dbraw/zinc/49/20/84/419492084.db2.gz JUNHHKMHMFVRRA-UONOGXRCSA-N 2 0 328.457 -0.378 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000647994598 419459657 /nfs/dbraw/zinc/45/96/57/419459657.db2.gz RTYQTALASYJBHE-HOTGVXAUSA-N 2 0 341.500 -0.280 20 0 EBADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000519530890 419525356 /nfs/dbraw/zinc/52/53/56/419525356.db2.gz ATQNRCQBHJDPKH-OAHLLOKOSA-N 2 0 333.436 -0.020 20 0 EBADRP CC(=O)NCC(=O)N1CCCN(C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000528739215 419526562 /nfs/dbraw/zinc/52/65/62/419526562.db2.gz SHXPOUUQWZNWCL-OAHLLOKOSA-N 2 0 328.457 -0.642 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000519539317 419532487 /nfs/dbraw/zinc/53/24/87/419532487.db2.gz DNKKVJXCDLCUCH-AWEZNQCLSA-N 2 0 326.441 -0.589 20 0 EBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000519695215 419536115 /nfs/dbraw/zinc/53/61/15/419536115.db2.gz HNNMVJNGWKQSJD-AWEZNQCLSA-N 2 0 325.457 -0.018 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000520583091 419565155 /nfs/dbraw/zinc/56/51/55/419565155.db2.gz IYQDZCKNLBWMHF-MELADBBJSA-N 2 0 328.457 -0.299 20 0 EBADRP C[C@H](NC(=O)N[C@H]1CCC[N@H+](CCCO)C1)[C@@H]1CN(C)CCO1 ZINC000655709952 419624612 /nfs/dbraw/zinc/62/46/12/419624612.db2.gz QJKCAEHIRFBWSN-KKUMJFAQSA-N 2 0 328.457 -0.149 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000358571473 419672498 /nfs/dbraw/zinc/67/24/98/419672498.db2.gz OVBMDUNYHBELER-UONOGXRCSA-N 2 0 328.457 -0.521 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000358569404 419675995 /nfs/dbraw/zinc/67/59/95/419675995.db2.gz LJDJIHZCKFQZTM-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)C1 ZINC000659680051 419693967 /nfs/dbraw/zinc/69/39/67/419693967.db2.gz JZGSQCVBHOMHDZ-HUUCEWRRSA-N 2 0 342.484 -0.051 20 0 EBADRP C[C@H]1CC(=O)NCC[NH+]1CCOCC[N@H+]1CCNC(=O)C[C@@H]1C ZINC000375845936 419737716 /nfs/dbraw/zinc/73/77/16/419737716.db2.gz HMQAOTQZSPBGNE-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H]2C(=O)NCC[C@@H]2C)C1 ZINC000193618013 419762773 /nfs/dbraw/zinc/76/27/73/419762773.db2.gz XGXHYMDPJGOQKE-SQWLQELKSA-N 2 0 340.468 -0.426 20 0 EBADRP COCCOCCN1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000652998876 419776202 /nfs/dbraw/zinc/77/62/02/419776202.db2.gz CCHWUPXRKLHKNH-INIZCTEOSA-N 2 0 343.468 -0.238 20 0 EBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)CCO1 ZINC000659740642 419803668 /nfs/dbraw/zinc/80/36/68/419803668.db2.gz JHJOIPGPRSYMPI-RRFJBIMHSA-N 2 0 340.468 -0.202 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])C1 ZINC000419966547 419822955 /nfs/dbraw/zinc/82/29/55/419822955.db2.gz ZWGRCEWCGUTZLN-ZIAGYGMSSA-N 2 0 328.457 -0.343 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000419931729 419824862 /nfs/dbraw/zinc/82/48/62/419824862.db2.gz DTQQRTZFZSBZBQ-RBSFLKMASA-N 2 0 340.468 -0.140 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])C1 ZINC000420009046 419827914 /nfs/dbraw/zinc/82/79/14/419827914.db2.gz VFZIWIHWEBGXIG-UONOGXRCSA-N 2 0 328.457 -0.201 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420013022 419832864 /nfs/dbraw/zinc/83/28/64/419832864.db2.gz BMLOWXMPECIBMW-ZIAGYGMSSA-N 2 0 328.457 -0.343 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000420051062 419836544 /nfs/dbraw/zinc/83/65/44/419836544.db2.gz ZXCVDZSWKRULLB-GJZGRUSLSA-N 2 0 340.468 -0.201 20 0 EBADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423125867 419919533 /nfs/dbraw/zinc/91/95/33/419919533.db2.gz IFWVNCVMGKDBHF-OAHLLOKOSA-N 2 0 342.484 -0.001 20 0 EBADRP C[NH2+]CC1CCN(C(=O)C(=O)N(CCOC)CC[NH+](C)C)CC1 ZINC000423263248 419928091 /nfs/dbraw/zinc/92/80/91/419928091.db2.gz OIKGYLDVBHLMAH-UHFFFAOYSA-N 2 0 328.457 -0.519 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C[C@H]1[NH3+] ZINC000423214531 419926787 /nfs/dbraw/zinc/92/67/87/419926787.db2.gz PBSUDXVWRRMMRU-HZSPNIEDSA-N 2 0 326.441 -0.639 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000423260354 419927320 /nfs/dbraw/zinc/92/73/20/419927320.db2.gz HDIAAQVVEWEQSA-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)NC3CC[NH+](C4CCC4)CC3)CCN2C1=O ZINC000515673288 419986614 /nfs/dbraw/zinc/98/66/14/419986614.db2.gz SXHFYXULKWZPJL-CABCVRRESA-N 2 0 335.452 -0.043 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000167213802 420527942 /nfs/dbraw/zinc/52/79/42/420527942.db2.gz NXUALJUOZZXIOA-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CC12CC[NH2+]CC2 ZINC000646009624 420533836 /nfs/dbraw/zinc/53/38/36/420533836.db2.gz XTGSCLDKWKHBJT-HZPDHXFCSA-N 2 0 336.480 -0.101 20 0 EBADRP COC1CC[NH+](CCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000646180809 420540039 /nfs/dbraw/zinc/54/00/39/420540039.db2.gz CCOLYHPURBUHKQ-CYBMUJFWSA-N 2 0 336.440 -0.129 20 0 EBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)/C=C\C[NH+](C)C ZINC000492641113 420576101 /nfs/dbraw/zinc/57/61/01/420576101.db2.gz FILKBFFECRAJDB-WAYWQWQTSA-N 2 0 326.441 -0.647 20 0 EBADRP CO[C@H](C[NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000646546587 420670698 /nfs/dbraw/zinc/67/06/98/420670698.db2.gz GRMFRQROMCGFJG-MELADBBJSA-N 2 0 327.404 -0.235 20 0 EBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000646803701 420695052 /nfs/dbraw/zinc/69/50/52/420695052.db2.gz DJOBKTWGURYLEL-USBNGQNGSA-N 2 0 349.439 -0.315 20 0 EBADRP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529334206 420762904 /nfs/dbraw/zinc/76/29/04/420762904.db2.gz RMHONAHXDHXZHF-AWEZNQCLSA-N 2 0 340.472 -0.288 20 0 EBADRP O=C(NCC1=CC[NH2+]CC1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529334277 420763013 /nfs/dbraw/zinc/76/30/13/420763013.db2.gz KIMDTWVIIJZUQD-UHFFFAOYSA-N 2 0 336.440 -0.742 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)NC[C@@H]3COCC[NH2+]3)CC2)c1 ZINC000529381195 420764653 /nfs/dbraw/zinc/76/46/53/420764653.db2.gz QMPUNFAJRDWHBS-CYBMUJFWSA-N 2 0 335.408 -0.090 20 0 EBADRP CC[N@H+](CCO)CCNC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000187328467 420708129 /nfs/dbraw/zinc/70/81/29/420708129.db2.gz IFIDQTQSQUWLPL-OAHLLOKOSA-N 2 0 329.489 -0.517 20 0 EBADRP C[C@H](C(=O)N1CCN(c2ccccn2)CC1)N1CCNC(=O)CC1 ZINC000195186381 420716526 /nfs/dbraw/zinc/71/65/26/420716526.db2.gz RZBJJIKOLQZMQW-CQSZACIVSA-N 2 0 331.420 -0.059 20 0 EBADRP C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000522137922 420718063 /nfs/dbraw/zinc/71/80/63/420718063.db2.gz MLEZMYQZSWSTSY-CABCVRRESA-N 2 0 338.452 -0.670 20 0 EBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000649321259 420799875 /nfs/dbraw/zinc/79/98/75/420799875.db2.gz QQCCZIRISSICQR-RBSFLKMASA-N 2 0 338.452 -0.698 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)CN2CCCC[C@H]([NH3+])C2=O)CC1 ZINC000649318758 420800328 /nfs/dbraw/zinc/80/03/28/420800328.db2.gz IWRGLVVEXBHGRF-HNNXBMFYSA-N 2 0 340.468 -0.057 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000649352782 420804574 /nfs/dbraw/zinc/80/45/74/420804574.db2.gz KFXKLFZPUHEEHI-ZBFHGGJFSA-N 2 0 339.484 -0.676 20 0 EBADRP C[C@H](CNC(=O)C(=O)NCCC1(C[NH3+])CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656024415 420866590 /nfs/dbraw/zinc/86/65/90/420866590.db2.gz ORGVQAKCHMQGCO-MCIONIFRSA-N 2 0 340.468 -0.155 20 0 EBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656023510 420866901 /nfs/dbraw/zinc/86/69/01/420866901.db2.gz BYKVAIZQBXOSFE-KBXIAJHMSA-N 2 0 340.468 -0.141 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656023111 420867343 /nfs/dbraw/zinc/86/73/43/420867343.db2.gz VUXLZHSKSMWKSE-YIYPIFLZSA-N 2 0 328.457 -0.300 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656021560 420867539 /nfs/dbraw/zinc/86/75/39/420867539.db2.gz ASCMELMMBXDVMJ-FQUUOJAGSA-N 2 0 326.441 -0.532 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C[C@H]1C[NH3+] ZINC000656041356 420869451 /nfs/dbraw/zinc/86/94/51/420869451.db2.gz RRYFDIKRRVOLHP-YIYPIFLZSA-N 2 0 326.441 -0.735 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656040598 420869671 /nfs/dbraw/zinc/86/96/71/420869671.db2.gz MKJWXYYWXCZIPL-KHMAMNHCSA-N 2 0 340.468 -0.191 20 0 EBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656064326 420871562 /nfs/dbraw/zinc/87/15/62/420871562.db2.gz SSYZCXSHDNLGQW-SOUVJXGZSA-N 2 0 338.452 -0.936 20 0 EBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656084839 420877718 /nfs/dbraw/zinc/87/77/18/420877718.db2.gz PKNHLUFBWFXURY-UONOGXRCSA-N 2 0 338.452 -0.794 20 0 EBADRP [NH3+]CCN(Cc1ccccc1)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104163 420880417 /nfs/dbraw/zinc/88/04/17/420880417.db2.gz IWYUOOFNYJPKEE-JKSUJKDBSA-N 2 0 346.431 -0.749 20 0 EBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000656104640 420881459 /nfs/dbraw/zinc/88/14/59/420881459.db2.gz STHDTCGEEDKTDX-CYBMUJFWSA-N 2 0 326.441 -0.495 20 0 EBADRP C[C@@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656153666 420882677 /nfs/dbraw/zinc/88/26/77/420882677.db2.gz ZNKBHGLVVQNBSL-MWDXBVQZSA-N 2 0 328.501 -0.318 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656325286 420889155 /nfs/dbraw/zinc/88/91/55/420889155.db2.gz NXCIQJIZOWQHBR-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000658458451 420956238 /nfs/dbraw/zinc/95/62/38/420956238.db2.gz ZXUQMAGZBXHZDV-CQSZACIVSA-N 2 0 328.457 -0.424 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659461345 420999699 /nfs/dbraw/zinc/99/96/99/420999699.db2.gz ZILOPZQSSYNUKU-UHFFFAOYSA-N 2 0 326.401 -0.592 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000659680043 421012779 /nfs/dbraw/zinc/01/27/79/421012779.db2.gz SLAUOVGRZISMDZ-HUUCEWRRSA-N 2 0 340.468 -0.322 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000659688720 421014266 /nfs/dbraw/zinc/01/42/66/421014266.db2.gz HUQBNKWLVCKKJF-ZDUSSCGKSA-N 2 0 348.451 -0.826 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000659690882 421014573 /nfs/dbraw/zinc/01/45/73/421014573.db2.gz YJAREOABDIBZJP-ZDUSSCGKSA-N 2 0 333.436 -0.114 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659689667 421015344 /nfs/dbraw/zinc/01/53/44/421015344.db2.gz HJYJGTXGPAPTGE-UHFFFAOYSA-N 2 0 337.468 -0.922 20 0 EBADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH2+]C)[C@H](C)C1 ZINC000659683465 421015617 /nfs/dbraw/zinc/01/56/17/421015617.db2.gz ZHTLBXGAYOCWQU-ILXRZTDVSA-N 2 0 342.484 -0.036 20 0 EBADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659712643 421018393 /nfs/dbraw/zinc/01/83/93/421018393.db2.gz AKOSIZHZQSPGDB-INIZCTEOSA-N 2 0 345.447 -0.112 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CCO1 ZINC000659716331 421019430 /nfs/dbraw/zinc/01/94/30/421019430.db2.gz ZGQBFBOTWZCAQI-UONOGXRCSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659713910 421020030 /nfs/dbraw/zinc/02/00/30/421020030.db2.gz LBPXQVYNUAIEHI-CYBMUJFWSA-N 2 0 333.436 -0.127 20 0 EBADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000659713498 421020143 /nfs/dbraw/zinc/02/01/43/421020143.db2.gz CXIMOGQUOWSZHJ-MRXNPFEDSA-N 2 0 345.447 -0.993 20 0 EBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000659721913 421021533 /nfs/dbraw/zinc/02/15/33/421021533.db2.gz LGDTXJOALGJPIQ-RBSFLKMASA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659739373 421026271 /nfs/dbraw/zinc/02/62/71/421026271.db2.gz RVDISRUAQMVCEO-GJZGRUSLSA-N 2 0 338.452 -0.434 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CCO1 ZINC000659741264 421026355 /nfs/dbraw/zinc/02/63/55/421026355.db2.gz SOPDLZRYQHTBLQ-XOYHFGRZSA-N 2 0 338.452 -0.576 20 0 EBADRP C[NH+]1CCN(c2ccc(NC(=O)c3cn(CC[NH3+])nn3)nc2)CC1 ZINC000662388038 421085212 /nfs/dbraw/zinc/08/52/12/421085212.db2.gz LJTINRIKIZXMAD-UHFFFAOYSA-N 2 0 330.396 -0.364 20 0 EBADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@@H+](C[C@@H]2CNCCO2)C1 ZINC000662338791 421085390 /nfs/dbraw/zinc/08/53/90/421085390.db2.gz WFSNLCWGZZYROP-GJZGRUSLSA-N 2 0 334.468 -0.013 20 0 EBADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@@H+](C[C@@H]2CNCCO2)C1 ZINC000662338790 421085871 /nfs/dbraw/zinc/08/58/71/421085871.db2.gz WFSNLCWGZZYROP-CABCVRRESA-N 2 0 334.468 -0.013 20 0 EBADRP CN(CCC[NH+](C)C)CCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000662634301 421093305 /nfs/dbraw/zinc/09/33/05/421093305.db2.gz QYGPFMOTOSZMFM-UHFFFAOYSA-N 2 0 337.472 -0.184 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000662660037 421095561 /nfs/dbraw/zinc/09/55/61/421095561.db2.gz SCTZQKOQDJKPKF-GFCCVEGCSA-N 2 0 336.440 -0.421 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662716752 421096560 /nfs/dbraw/zinc/09/65/60/421096560.db2.gz WIXRDHJDOKQOTJ-ZIAGYGMSSA-N 2 0 326.441 -0.637 20 0 EBADRP C[NH+]1CCN(c2ncccc2CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662759202 421098211 /nfs/dbraw/zinc/09/82/11/421098211.db2.gz UHDXNLPPMNSFMP-HUUCEWRRSA-N 2 0 333.436 -0.187 20 0 EBADRP O=C(N1CCC[C@@H](N2CCNCC2=O)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662766644 421098949 /nfs/dbraw/zinc/09/89/49/421098949.db2.gz LHPXSOLTYSGAQD-RISCZKNCSA-N 2 0 348.369 -0.049 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000662740954 421100137 /nfs/dbraw/zinc/10/01/37/421100137.db2.gz AIEALLQWGBWFPE-GUYCJALGSA-N 2 0 338.452 -0.671 20 0 EBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662948116 421116136 /nfs/dbraw/zinc/11/61/36/421116136.db2.gz UHYITSBFXUAOQY-UONOGXRCSA-N 2 0 326.441 -0.624 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000662951972 421116351 /nfs/dbraw/zinc/11/63/51/421116351.db2.gz BBAXHPXZACJORM-RRFJBIMHSA-N 2 0 340.468 -0.249 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CCO1 ZINC000662955113 421117233 /nfs/dbraw/zinc/11/72/33/421117233.db2.gz PGZUDFCLLQBRMR-KBPBESRZSA-N 2 0 326.441 -0.637 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCC(C)([NH3+])CC2)CCO1 ZINC000662958518 421118102 /nfs/dbraw/zinc/11/81/02/421118102.db2.gz WAKRDSBQCIPMIR-AWEZNQCLSA-N 2 0 340.468 -0.105 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCN2C[C@H]3CCCCN3C2=O)CC1 ZINC000663367338 421130298 /nfs/dbraw/zinc/13/02/98/421130298.db2.gz WYJZGQYVAFNTKA-CVEARBPZSA-N 2 0 339.484 -0.526 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCN2C[C@@H]3CCCCN3C2=O)CC1 ZINC000663367341 421130531 /nfs/dbraw/zinc/13/05/31/421130531.db2.gz WYJZGQYVAFNTKA-JKSUJKDBSA-N 2 0 339.484 -0.526 20 0 EBADRP C[C@@H](NC(=O)NCCN(C)CCC[NH+](C)C)[C@@H]1CN(C)CCO1 ZINC000664487395 421158117 /nfs/dbraw/zinc/15/81/17/421158117.db2.gz JIHOVSPVAVGZHY-CABCVRRESA-N 3 0 329.489 -0.112 20 0 EBADRP C[NH+](C)[C@H]1CN(C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@@H]1O ZINC000664537301 421158774 /nfs/dbraw/zinc/15/87/74/421158774.db2.gz JZKREXWUTLQKDS-GJZGRUSLSA-N 2 0 327.473 -0.671 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)n1 ZINC000358859296 421192932 /nfs/dbraw/zinc/19/29/32/421192932.db2.gz WNXIQULAXVDZSD-ZDUSSCGKSA-N 2 0 336.440 -0.207 20 0 EBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000337525605 421194508 /nfs/dbraw/zinc/19/45/08/421194508.db2.gz BHQAEMVEYGEIPN-INIZCTEOSA-N 2 0 346.391 -0.365 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)n1 ZINC000424161957 421195218 /nfs/dbraw/zinc/19/52/18/421195218.db2.gz WKQOJBWRQADXST-GFCCVEGCSA-N 2 0 332.412 0.213 20 0 EBADRP Cc1cc(NC(=O)CC[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)no1 ZINC000573834287 421247730 /nfs/dbraw/zinc/24/77/30/421247730.db2.gz WPHVTUCHYICBGC-CYBMUJFWSA-N 2 0 337.424 0.489 20 0 EBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000279113582 264616486 /nfs/dbraw/zinc/61/64/86/264616486.db2.gz YUFTUYLEVWWNSK-BXUZGUMPSA-N 2 0 334.424 -0.444 20 0 EBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000419404791 264864802 /nfs/dbraw/zinc/86/48/02/264864802.db2.gz GSXFDPWBTIIMMP-KFWWJZLASA-N 2 0 340.468 -0.425 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000423376653 265001066 /nfs/dbraw/zinc/00/10/66/265001066.db2.gz JOLKLGFLLIEEQX-ZDUSSCGKSA-N 2 0 347.419 -0.312 20 0 EBADRP C[NH2+]CCN(C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000423378399 265001159 /nfs/dbraw/zinc/00/11/59/265001159.db2.gz KZGFETHHBKVZKO-UHFFFAOYSA-N 2 0 335.408 -0.583 20 0 EBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423380460 265001377 /nfs/dbraw/zinc/00/13/77/265001377.db2.gz DQZRSRUHFWBMOP-KBPBESRZSA-N 2 0 326.441 -0.495 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000423452165 265005150 /nfs/dbraw/zinc/00/51/50/265005150.db2.gz WABYIQBXJDPZON-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000423723028 265037556 /nfs/dbraw/zinc/03/75/56/265037556.db2.gz GQTDDKYDPMHJLD-OAGGEKHMSA-N 2 0 334.464 -0.003 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000423752824 265042773 /nfs/dbraw/zinc/04/27/73/265042773.db2.gz WSFPIIFGOOPIPQ-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP CC[NH+](CC)CCN(C(=O)[C@H]1C[NH2+]CCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000424185790 265050103 /nfs/dbraw/zinc/05/01/03/265050103.db2.gz FZSPGWNAXQMZPI-ZIAGYGMSSA-N 2 0 347.481 -0.668 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)C1CC1 ZINC000424518446 265071864 /nfs/dbraw/zinc/07/18/64/265071864.db2.gz HWZIBHPLCDBUPQ-LSDHHAIUSA-N 2 0 348.451 -0.726 20 0 EBADRP CNS(=O)(=O)CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430611670 265150139 /nfs/dbraw/zinc/15/01/39/265150139.db2.gz OSIGIPKFXCAFEY-ZDUSSCGKSA-N 2 0 332.470 -0.931 20 0 EBADRP C[C@H]1C[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[C@H]1[NH3+] ZINC000430929205 265156238 /nfs/dbraw/zinc/15/62/38/265156238.db2.gz NWMYGZYKFOYDCV-NWDGAFQWSA-N 2 0 334.424 -0.507 20 0 EBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000430895036 265156820 /nfs/dbraw/zinc/15/68/20/265156820.db2.gz RNIRJWKMRILAED-KBPBESRZSA-N 2 0 326.441 -0.541 20 0 EBADRP Cn1c2ncn(CC[NH+]3CCC4(CC[NH2+]C4)CC3)c2c(=O)n(C)c1=O ZINC000431020078 265159175 /nfs/dbraw/zinc/15/91/75/265159175.db2.gz WICYICSTBKLUTN-UHFFFAOYSA-N 2 0 346.435 -0.491 20 0 EBADRP C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)C(=O)N1CCOCC1 ZINC000433114316 265185974 /nfs/dbraw/zinc/18/59/74/265185974.db2.gz HACFEFUZZDJPDM-ZDUSSCGKSA-N 2 0 326.441 -0.447 20 0 EBADRP CS(=O)(=O)N1CCC[C@@H](NC(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433146720 265186262 /nfs/dbraw/zinc/18/62/62/265186262.db2.gz WJPIBXTXSCSBEU-CQSZACIVSA-N 2 0 346.497 -0.270 20 0 EBADRP CC1(C)NC(=O)N(CC[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1=O ZINC000436060164 265236837 /nfs/dbraw/zinc/23/68/37/265236837.db2.gz CYXICHWPGBVHAF-LBPRGKRZSA-N 2 0 339.440 -0.364 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000440975518 265298731 /nfs/dbraw/zinc/29/87/31/265298731.db2.gz FXENGPCYZWBQBG-OAHLLOKOSA-N 2 0 340.516 -0.443 20 0 EBADRP CC[C@H](O)C[NH+]1CCN(C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000441429172 265305826 /nfs/dbraw/zinc/30/58/26/265305826.db2.gz MKWGALMWOQFCSC-NCOADZHNSA-N 2 0 329.485 -0.155 20 0 EBADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420189274 272824065 /nfs/dbraw/zinc/82/40/65/272824065.db2.gz NYVVMWNZJSZQTQ-ZNMIVQPWSA-N 2 0 340.468 -0.140 20 0 EBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000420210535 272824696 /nfs/dbraw/zinc/82/46/96/272824696.db2.gz HFLVMWOSRLQOOR-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCCS(=O)(=O)N(C)C)C2)CC1 ZINC000107368778 276386333 /nfs/dbraw/zinc/38/63/33/276386333.db2.gz ZTQKBAQNPZATNH-OAHLLOKOSA-N 2 0 332.514 -0.020 20 0 EBADRP C[C@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)C[NH+]1CCN(C)CC1 ZINC000175774405 278200043 /nfs/dbraw/zinc/20/00/43/278200043.db2.gz UWEADQVIYLHPRK-CVEARBPZSA-N 2 0 341.500 -0.158 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](CCO)CC2)C[C@H]1[NH+](C)C ZINC000344632166 278633344 /nfs/dbraw/zinc/63/33/44/278633344.db2.gz QURUFSNGDHWNMZ-UKRRQHHQSA-N 2 0 340.468 -0.785 20 0 EBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC[NH+](C)CCOC)C1 ZINC000358555691 279038132 /nfs/dbraw/zinc/03/81/32/279038132.db2.gz BUJITQUBPDWHBS-CQSZACIVSA-N 2 0 328.457 -0.519 20 0 EBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000332367416 279283128 /nfs/dbraw/zinc/28/31/28/279283128.db2.gz YUESLGNQLCTFCT-AWEZNQCLSA-N 2 0 326.441 -0.670 20 0 EBADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)N1CCOCC1 ZINC000408010610 289133892 /nfs/dbraw/zinc/13/38/92/289133892.db2.gz PRHAULBXEYKZFX-UHFFFAOYSA-N 2 0 334.486 -0.479 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CCO1 ZINC000332008082 289196342 /nfs/dbraw/zinc/19/63/42/289196342.db2.gz CXNBMLCYMWIOHT-ILXRZTDVSA-N 2 0 338.452 -0.482 20 0 EBADRP COCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000073439059 545725323 /nfs/dbraw/zinc/72/53/23/545725323.db2.gz GUTCYUMAFGAYDR-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668672401 545732422 /nfs/dbraw/zinc/73/24/22/545732422.db2.gz PHITVWIKOMRZCF-DZGCQCFKSA-N 2 0 340.468 -0.188 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000668842584 545769788 /nfs/dbraw/zinc/76/97/88/545769788.db2.gz KCMLPCQIPVMPTC-UONOGXRCSA-N 2 0 340.468 -0.188 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000668891105 545783087 /nfs/dbraw/zinc/78/30/87/545783087.db2.gz JLYQCLRRZPWKDF-KBPBESRZSA-N 2 0 339.484 -0.663 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)CCSC1 ZINC000671071657 545905943 /nfs/dbraw/zinc/90/59/43/545905943.db2.gz DUJVUXAQCQBGRX-IUODEOHRSA-N 2 0 328.482 -0.250 20 0 EBADRP C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)[C@@H]1CN(C)CCO1 ZINC000672961948 545913024 /nfs/dbraw/zinc/91/30/24/545913024.db2.gz WAPSWYOULDNYSZ-BARDWOONSA-N 2 0 328.457 -0.198 20 0 EBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000342983255 545921645 /nfs/dbraw/zinc/92/16/45/545921645.db2.gz APIGQLXEKFQWFX-KBPBESRZSA-N 2 0 327.473 -0.805 20 0 EBADRP CC[N@H+](CCO)CCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666976664 546046354 /nfs/dbraw/zinc/04/63/54/546046354.db2.gz MXJSFHFZLJLJAS-OAHLLOKOSA-N 2 0 328.457 -0.147 20 0 EBADRP CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[NH2+]1 ZINC000667518584 546056977 /nfs/dbraw/zinc/05/69/77/546056977.db2.gz MDEKQPGPBKPJPY-CYBMUJFWSA-N 2 0 336.440 -0.160 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nc2n(n1)CCCN2 ZINC000667812890 546063650 /nfs/dbraw/zinc/06/36/50/546063650.db2.gz ZDVGHTYWUIGGIU-CQSZACIVSA-N 2 0 349.483 -0.161 20 0 EBADRP C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1)[N@H+](C)C1CC1 ZINC000672207767 546085522 /nfs/dbraw/zinc/08/55/22/546085522.db2.gz MPCGRAZSOZOFMD-MBNYWOFBSA-N 2 0 326.441 -0.579 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000672204801 546085710 /nfs/dbraw/zinc/08/57/10/546085710.db2.gz UZMORTBASCTESG-KFWWJZLASA-N 2 0 340.468 -0.188 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672308804 546091577 /nfs/dbraw/zinc/09/15/77/546091577.db2.gz DRLNPPFWVMHOFM-HNNXBMFYSA-N 2 0 340.468 -0.377 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000672884377 546123388 /nfs/dbraw/zinc/12/33/88/546123388.db2.gz ZRQYLEPRONGZTO-CQSZACIVSA-N 2 0 328.457 -0.195 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCSC1 ZINC000673496877 546141696 /nfs/dbraw/zinc/14/16/96/546141696.db2.gz FWQTZHBYEXTJAH-CYBMUJFWSA-N 2 0 330.498 -0.193 20 0 EBADRP C[C@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)C1CC[NH+](C)CC1 ZINC000675819982 546189545 /nfs/dbraw/zinc/18/95/45/546189545.db2.gz VJFLDCCUMSPEFL-AWEZNQCLSA-N 2 0 332.514 -0.117 20 0 EBADRP C[C@@H](C(=O)NC[C@@H](NC(=O)[C@H](C)[NH+](C)C)c1cnn(C)c1)[NH+](C)C ZINC000676914217 546221860 /nfs/dbraw/zinc/22/18/60/546221860.db2.gz YLROJFUVVRPNPE-SGMGOOAPSA-N 2 0 338.456 -0.406 20 0 EBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000682314623 546328568 /nfs/dbraw/zinc/32/85/68/546328568.db2.gz ZFLUIRDDVTUWIM-UHFFFAOYSA-N 2 0 336.440 -0.064 20 0 EBADRP C[N@H+](CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CC1 ZINC000891547048 582557819 /nfs/dbraw/zinc/55/78/19/582557819.db2.gz WFUKARKMVPJIAB-MJBXVCDLSA-N 2 0 337.424 -0.343 20 0 EBADRP [NH3+][C@H](CCNC(=O)NCC(=O)N1CC[NH2+]CC1)Cc1ccccc1 ZINC000891970393 582564673 /nfs/dbraw/zinc/56/46/73/582564673.db2.gz KCUZGQXBBQCFRD-OAHLLOKOSA-N 2 0 333.436 -0.323 20 0 EBADRP [NH3+]C1CCC(NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000892022778 582566001 /nfs/dbraw/zinc/56/60/01/582566001.db2.gz RUXPESDDHZSNHI-YAWVXEGQSA-N 2 0 337.424 -0.167 20 0 EBADRP [NH3+]C1CCC(NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000892022777 582566029 /nfs/dbraw/zinc/56/60/29/582566029.db2.gz RUXPESDDHZSNHI-LFGDDXOXSA-N 2 0 337.424 -0.167 20 0 EBADRP O=C(N[C@H]1CC[NH2+]C12CCC2)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892275134 582572768 /nfs/dbraw/zinc/57/27/68/582572768.db2.gz SLTQFPLQMDHGIA-CRWXNKLISA-N 2 0 349.435 -0.153 20 0 EBADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892275144 582572779 /nfs/dbraw/zinc/57/27/79/582572779.db2.gz SLTQFPLQMDHGIA-YIYPIFLZSA-N 2 0 349.435 -0.153 20 0 EBADRP C[C@@H]1CN(CCNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CCO1 ZINC000892594974 582583194 /nfs/dbraw/zinc/58/31/94/582583194.db2.gz DKDLWBVUKRPEML-PMPSAXMXSA-N 2 0 340.468 -0.052 20 0 EBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892768152 582587300 /nfs/dbraw/zinc/58/73/00/582587300.db2.gz HVEINMQWLAZGQB-ZFWWWQNUSA-N 2 0 328.457 -0.243 20 0 EBADRP CN1CCN(C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)CC[N@H+](C)CC1 ZINC000892819889 582588106 /nfs/dbraw/zinc/58/81/06/582588106.db2.gz TUGFXBKAIPMUGO-JKSUJKDBSA-N 2 0 339.484 -0.262 20 0 EBADRP C[NH+](C)CCOCCNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000894367246 582629379 /nfs/dbraw/zinc/62/93/79/582629379.db2.gz RLTQLQTZHXYKRC-LSDHHAIUSA-N 2 0 328.457 -0.195 20 0 EBADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCS(=O)(=O)C2)(N2CCOCC2)CC1 ZINC000894897035 582636504 /nfs/dbraw/zinc/63/65/04/582636504.db2.gz WUECWGXFUVELCE-OAHLLOKOSA-N 2 0 345.509 -0.050 20 0 EBADRP C[C@H]1CC[N@H+](CCNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C1 ZINC000897466179 582690097 /nfs/dbraw/zinc/69/00/97/582690097.db2.gz PNGIVNKESDDBDJ-AWEZNQCLSA-N 2 0 327.473 -0.010 20 0 EBADRP C[N@@H+]1CCC[C@](O)(CC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000900603196 582774205 /nfs/dbraw/zinc/77/42/05/582774205.db2.gz WBGQOEJYGCOPBT-ZOBUZTSGSA-N 2 0 325.453 -0.109 20 0 EBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900641021 582776411 /nfs/dbraw/zinc/77/64/11/582776411.db2.gz IBGFVTFIFUNNPW-RHSMWYFYSA-N 2 0 340.468 -0.500 20 0 EBADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900696070 582777759 /nfs/dbraw/zinc/77/77/59/582777759.db2.gz YBJZPSLUNRQYRQ-DOTOQJQBSA-N 2 0 326.485 -0.169 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1CN(S(C)(=O)=O)C1 ZINC000900683234 582778593 /nfs/dbraw/zinc/77/85/93/582778593.db2.gz MCNJIJWVQDBKNU-UHFFFAOYSA-N 2 0 348.513 -0.390 20 0 EBADRP C[C@@H](CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1)C[NH+]1CCN(C)CC1 ZINC000900693411 582779196 /nfs/dbraw/zinc/77/91/96/582779196.db2.gz RPWHABJRXOJIMQ-RDJZCZTQSA-N 2 0 326.485 -0.167 20 0 EBADRP CN(C)S(=O)(=O)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903506467 582809280 /nfs/dbraw/zinc/80/92/80/582809280.db2.gz VNHYHSYEGIUKQC-GASCZTMLSA-N 2 0 330.498 -0.222 20 0 EBADRP C[NH+](C)CC[C@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)c1cccnc1 ZINC000903591200 582813736 /nfs/dbraw/zinc/81/37/36/582813736.db2.gz JINBFTQWVSJRCW-CABCVRRESA-N 2 0 342.465 -0.018 20 0 EBADRP CCN1CCN(C(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000903711475 582814882 /nfs/dbraw/zinc/81/48/82/582814882.db2.gz ZOSLESSZBPGCSV-GHMZBOCLSA-N 2 0 336.358 -0.111 20 0 EBADRP CCN1CCN(C(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000903711478 582815084 /nfs/dbraw/zinc/81/50/84/582815084.db2.gz ZOSLESSZBPGCSV-WDEREUQCSA-N 2 0 336.358 -0.111 20 0 EBADRP CC1(C)CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[C@@H]1[NH3+] ZINC000903715657 582815359 /nfs/dbraw/zinc/81/53/59/582815359.db2.gz YROQTQWZYOKHCT-AWEZNQCLSA-N 2 0 331.420 -0.074 20 0 EBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000903744163 582816626 /nfs/dbraw/zinc/81/66/26/582816626.db2.gz YLRNDNPTNVXXBO-CQSZACIVSA-N 2 0 340.468 -0.513 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CCO1 ZINC000903772977 582818546 /nfs/dbraw/zinc/81/85/46/582818546.db2.gz YZCYFWFEKZGDEH-UONOGXRCSA-N 2 0 340.468 -0.249 20 0 EBADRP Cc1c(C[C@H](C[NH3+])C[N@H+](C)C[C@@H](O)CN2CCOCC2)cnn1C ZINC000903894906 582823347 /nfs/dbraw/zinc/82/33/47/582823347.db2.gz HIOFZVRVFULUSZ-NVXWUHKLSA-N 2 0 339.484 -0.529 20 0 EBADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000838301523 583053522 /nfs/dbraw/zinc/05/35/22/583053522.db2.gz FCRAQDKWBBFHNP-HRCADAONSA-N 2 0 340.468 -0.004 20 0 EBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000803203245 583628311 /nfs/dbraw/zinc/62/83/11/583628311.db2.gz BWLCNVADSWDGTL-RDBSUJKOSA-N 2 0 326.441 -0.578 20 0 EBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804051656 583637259 /nfs/dbraw/zinc/63/72/59/583637259.db2.gz ASLZOAILRSKUBC-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C1CC1 ZINC000804055045 583638723 /nfs/dbraw/zinc/63/87/23/583638723.db2.gz CVRXTPSAGQRTFI-HUUCEWRRSA-N 2 0 338.452 -0.434 20 0 EBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804057244 583639960 /nfs/dbraw/zinc/63/99/60/583639960.db2.gz OKLMLJDQISSELJ-QLFBSQMISA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817955344 583731398 /nfs/dbraw/zinc/73/13/98/583731398.db2.gz WBPCIWWEWWMKMA-QGZVFWFLSA-N 3 0 339.484 -0.707 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1COC2(CCC2)C1 ZINC000830079752 583963236 /nfs/dbraw/zinc/96/32/36/583963236.db2.gz QOIQPBUDQSFEPI-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000842165542 584058883 /nfs/dbraw/zinc/05/88/83/584058883.db2.gz ZBOANASRNDLQFF-YJNKXOJESA-N 2 0 338.452 -0.306 20 0 EBADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C[C@@H]1C[NH3+] ZINC000842165376 584058900 /nfs/dbraw/zinc/05/89/00/584058900.db2.gz VMGAGAHDCAFHOU-LXTVHRRPSA-N 2 0 338.452 -0.591 20 0 EBADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C[C@H]1C[NH3+] ZINC000842165374 584059027 /nfs/dbraw/zinc/05/90/27/584059027.db2.gz VMGAGAHDCAFHOU-KBUPBQIOSA-N 2 0 338.452 -0.591 20 0 EBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000843317984 584075565 /nfs/dbraw/zinc/07/55/65/584075565.db2.gz VDFISPFTCIPOLX-LSDHHAIUSA-N 2 0 338.452 -0.575 20 0 EBADRP O=C(CO[C@H]1CCC[NH2+]C1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000844186895 584090949 /nfs/dbraw/zinc/09/09/49/584090949.db2.gz ATWKDDLBEYJTHP-HOTGVXAUSA-N 2 0 340.468 -0.722 20 0 EBADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCc1ccccn1 ZINC000844217058 584091406 /nfs/dbraw/zinc/09/14/06/584091406.db2.gz ALJQTCZPNSMGNI-OAHLLOKOSA-N 2 0 345.447 -0.158 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C[C@H]1C[NH3+] ZINC000846331167 584124625 /nfs/dbraw/zinc/12/46/25/584124625.db2.gz OXFODTLXUCNXDK-CBBWQLFWSA-N 2 0 340.468 -0.202 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000851684721 584198436 /nfs/dbraw/zinc/19/84/36/584198436.db2.gz KDEMITQQGHHCJQ-CQSZACIVSA-N 2 0 340.468 -0.058 20 0 EBADRP C[C@@H](C[NH+](C)C)NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861631400 584332186 /nfs/dbraw/zinc/33/21/86/584332186.db2.gz CLJFEMJXUWMOTG-YUTCNCBUSA-N 2 0 339.440 -0.097 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000861737110 584336092 /nfs/dbraw/zinc/33/60/92/584336092.db2.gz TWHOIEYKHSULAY-AEGPPILISA-N 2 0 340.468 -0.324 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000861746775 584336944 /nfs/dbraw/zinc/33/69/44/584336944.db2.gz KJFGGYKGDVMGKH-ZDUSSCGKSA-N 2 0 348.451 -0.745 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000861749693 584337196 /nfs/dbraw/zinc/33/71/96/584337196.db2.gz GVUZCWKCJLWJMN-ZDUSSCGKSA-N 2 0 348.451 -0.745 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000861773275 584338468 /nfs/dbraw/zinc/33/84/68/584338468.db2.gz KNDHMKHTMUIENZ-UONOGXRCSA-N 2 0 327.473 -0.818 20 0 EBADRP C[NH+]1CCC[C@H]1CNC(=O)CC(O)CC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000863503384 584371770 /nfs/dbraw/zinc/37/17/70/584371770.db2.gz HRWFWLDCXHMXSE-KBPBESRZSA-N 2 0 340.468 -0.452 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000863762342 584377492 /nfs/dbraw/zinc/37/74/92/584377492.db2.gz PJAOHLVJRAZSME-STQMWFEESA-N 2 0 326.441 -0.496 20 0 EBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000866751749 584405466 /nfs/dbraw/zinc/40/54/66/584405466.db2.gz YDNYQKLQOOUWNI-CABCVRRESA-N 2 0 347.481 -0.462 20 0 EBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000866763658 584405691 /nfs/dbraw/zinc/40/56/91/584405691.db2.gz HIEQKCGISPDZTN-DZGCQCFKSA-N 2 0 325.434 -0.219 20 0 EBADRP COCCC1(NS(=O)(=O)N(C)C2CC[NH2+]CC2)CC[NH2+]CC1 ZINC000866821730 584407556 /nfs/dbraw/zinc/40/75/56/584407556.db2.gz QUIZVOOZJIZPBD-UHFFFAOYSA-N 2 0 334.486 -0.337 20 0 EBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000868385081 584426753 /nfs/dbraw/zinc/42/67/53/584426753.db2.gz JMRYJCFAVYDZMO-CQSZACIVSA-N 2 0 337.468 -0.955 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000868402564 584428449 /nfs/dbraw/zinc/42/84/49/584428449.db2.gz MGKHBWWAPHSCIA-TUVASFSCSA-N 3 0 339.484 -0.868 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)CCO1 ZINC000868407580 584428556 /nfs/dbraw/zinc/42/85/56/584428556.db2.gz XWSAATKIIMANAF-QWHCGFSZSA-N 2 0 326.441 -0.496 20 0 EBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)CCO1 ZINC000868407578 584428597 /nfs/dbraw/zinc/42/85/97/584428597.db2.gz XWSAATKIIMANAF-CHWSQXEVSA-N 2 0 326.441 -0.496 20 0 EBADRP O=C(C[C@H]1CSCC[NH2+]1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870999816 584450776 /nfs/dbraw/zinc/45/07/76/584450776.db2.gz PYHGTNMDDNCGPN-RVMXOQNASA-N 2 0 340.449 -0.525 20 0 EBADRP [NH3+]C[C@@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C[C@H]1C(F)(F)F ZINC000871812813 584457561 /nfs/dbraw/zinc/45/75/61/584457561.db2.gz KYFAMANKZWCPEK-KXUCPTDWSA-N 2 0 331.360 -0.626 20 0 EBADRP [NH3+]C[C@]1(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCCOC1 ZINC000872302045 584461367 /nfs/dbraw/zinc/46/13/67/584461367.db2.gz NMXCSVYYERIZLG-NFFDBFGFSA-N 2 0 338.408 -0.865 20 0 EBADRP COCc1nn(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(=O)o1 ZINC000872637004 584464302 /nfs/dbraw/zinc/46/43/02/584464302.db2.gz YQYZIQVSMWFVDT-CHWSQXEVSA-N 2 0 327.429 -0.389 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C(C)(C)O)C1 ZINC000872855227 584468225 /nfs/dbraw/zinc/46/82/25/584468225.db2.gz JPCDGSJIUIMAQK-CQSZACIVSA-N 2 0 342.484 -0.442 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[NH+](C)C(C)(C)CC1 ZINC000875211054 584493636 /nfs/dbraw/zinc/49/36/36/584493636.db2.gz ZGQMOFBYUQAJLX-CQSZACIVSA-N 2 0 339.484 -0.709 20 0 EBADRP C[C@H](CS(C)(=O)=O)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875285786 584495999 /nfs/dbraw/zinc/49/59/99/584495999.db2.gz VPPBWDQHFDSCPL-MGPQQGTHSA-N 2 0 348.513 -0.200 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000875272055 584496074 /nfs/dbraw/zinc/49/60/74/584496074.db2.gz SNZVSDPXLJVRAG-KBPBESRZSA-N 2 0 327.473 -0.623 20 0 EBADRP CCN1C[C@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1=O ZINC000875643334 584504030 /nfs/dbraw/zinc/50/40/30/584504030.db2.gz VZCWXIUQKLDHIM-RBSFLKMASA-N 2 0 339.484 -0.012 20 0 EBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1(F)F ZINC000876512576 584517646 /nfs/dbraw/zinc/51/76/46/584517646.db2.gz SMPRPYSRYHNJIC-IJLUTSLNSA-N 2 0 330.379 -0.503 20 0 EBADRP Cn1ncc(C[NH3+])c1C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000876752809 584522418 /nfs/dbraw/zinc/52/24/18/584522418.db2.gz ZWUOHJVAKHWFHL-UHFFFAOYSA-N 2 0 334.424 -0.741 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@]2(COC)C[NH2+]CCO2)C1 ZINC000876775615 584523198 /nfs/dbraw/zinc/52/31/98/584523198.db2.gz ZXILZQVBVOKELC-NVXWUHKLSA-N 2 0 343.468 -0.049 20 0 EBADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000876979787 584527799 /nfs/dbraw/zinc/52/77/99/584527799.db2.gz ACLFQKGRQNDWBT-KBPBESRZSA-N 2 0 349.483 -0.586 20 0 EBADRP COCCC1(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC000877267828 584531053 /nfs/dbraw/zinc/53/10/53/584531053.db2.gz GROVOWVPKGICFC-CYBMUJFWSA-N 2 0 326.441 -0.480 20 0 EBADRP C[C@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CCN1c1cc[nH+]cc1 ZINC000883473027 584601754 /nfs/dbraw/zinc/60/17/54/584601754.db2.gz PCYVAFMSFGBCCU-DZGCQCFKSA-N 2 0 340.449 -0.090 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCN1c1cc[nH+]cc1 ZINC000883641987 584604019 /nfs/dbraw/zinc/60/40/19/584604019.db2.gz ALZJCIAJICLZMW-YDHLFZDLSA-N 2 0 329.404 -0.309 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)CCN1c1cc[nH+]cc1 ZINC000883639055 584604096 /nfs/dbraw/zinc/60/40/96/584604096.db2.gz FAMWJGBLHVVEAU-UONOGXRCSA-N 2 0 331.420 -0.061 20 0 EBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000883638400 584604122 /nfs/dbraw/zinc/60/41/22/584604122.db2.gz LDQDSYDCFKYRKH-ZIAGYGMSSA-N 2 0 331.420 -0.061 20 0 EBADRP CC[NH+](CC)CCN(C(=O)[C@@H]([NH3+])CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000884305881 584621066 /nfs/dbraw/zinc/62/10/66/584621066.db2.gz LMODABCNDNQUIW-KBPBESRZSA-N 2 0 349.497 -0.292 20 0 EBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000884516889 584625555 /nfs/dbraw/zinc/62/55/55/584625555.db2.gz XKWRAGJYEPNXRI-CABCVRRESA-N 2 0 338.452 -0.304 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000884587815 584629056 /nfs/dbraw/zinc/62/90/56/584629056.db2.gz RBVMLDPYTHYTQV-CQSZACIVSA-N 2 0 342.484 -0.035 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000884603631 584629207 /nfs/dbraw/zinc/62/92/07/584629207.db2.gz NOTNBGSLHGXUTB-QWHCGFSZSA-N 2 0 326.441 -0.448 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884637508 584630723 /nfs/dbraw/zinc/63/07/23/584630723.db2.gz QPAVNZXQEBTFSZ-AWEZNQCLSA-N 2 0 342.484 -0.035 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000884662280 584632317 /nfs/dbraw/zinc/63/23/17/584632317.db2.gz MFFDLCDAHOAULX-CYBMUJFWSA-N 2 0 328.457 -0.425 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C[C@H]1C[NH+](C)C ZINC000884706398 584634983 /nfs/dbraw/zinc/63/49/83/584634983.db2.gz BIBSOQNEQZPIPB-RBSFLKMASA-N 3 0 339.484 -0.962 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000884729267 584636651 /nfs/dbraw/zinc/63/66/51/584636651.db2.gz LQLKCWQAFUNVSL-GBJTYRQASA-N 3 0 341.500 -0.574 20 0 EBADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000884726449 584636674 /nfs/dbraw/zinc/63/66/74/584636674.db2.gz SNVBQBHHBSQBOO-AWEZNQCLSA-N 2 0 338.452 -0.432 20 0 EBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)NCCOCC[NH2+]C)CC1 ZINC000884812771 584638343 /nfs/dbraw/zinc/63/83/43/584638343.db2.gz ZTSNXKZASBQQFT-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000884814716 584638567 /nfs/dbraw/zinc/63/85/67/584638567.db2.gz GNSOYVWQTFILHV-ZDUSSCGKSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)C[C@H]1[NH3+] ZINC000887091786 584676229 /nfs/dbraw/zinc/67/62/29/584676229.db2.gz WGCFFQBMFOUYPO-UMVBOHGHSA-N 2 0 331.420 -0.076 20 0 EBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)C1 ZINC000887091859 584676340 /nfs/dbraw/zinc/67/63/40/584676340.db2.gz ZCYWJBKCBYLCOG-ZIAGYGMSSA-N 2 0 331.420 -0.061 20 0 EBADRP CC[NH+]1CCC(NC(=O)Cn2cc(CN3CCC[C@@H]([NH3+])C3)nn2)CC1 ZINC000887436658 584678274 /nfs/dbraw/zinc/67/82/74/584678274.db2.gz TZGAKCYZCZPKDU-CQSZACIVSA-N 2 0 349.483 -0.198 20 0 EBADRP COCC[N@H+](C)C[C@@H](O)Cn1cc(CN2CCC[C@@H]([NH3+])C2)nn1 ZINC000887451421 584678538 /nfs/dbraw/zinc/67/85/38/584678538.db2.gz MVCKSSKGFWNXHY-UKRRQHHQSA-N 2 0 326.445 -0.860 20 0 EBADRP CC[C@@H](C(=O)N[C@H]1COC[C@H]1NC(=O)[C@H](CC)[NH+](C)C)[NH+](C)C ZINC000888042000 584684355 /nfs/dbraw/zinc/68/43/55/584684355.db2.gz OTUVVZOROJPHCM-CRWXNKLISA-N 2 0 328.457 -0.333 20 0 EBADRP CC[C@H](C(=O)N[C@H]1COC[C@H]1NC(=O)[C@@H](CC)[NH+](C)C)[NH+](C)C ZINC000888042005 584684432 /nfs/dbraw/zinc/68/44/32/584684432.db2.gz OTUVVZOROJPHCM-XJFOESAGSA-N 2 0 328.457 -0.333 20 0 EBADRP CC[C@H](C(=O)N[C@@H]1COC[C@@H]1NC(=O)[C@H](CC)[NH+](C)C)[NH+](C)C ZINC000888042002 584684444 /nfs/dbraw/zinc/68/44/44/584684444.db2.gz OTUVVZOROJPHCM-KPWCQOOUSA-N 2 0 328.457 -0.333 20 0 EBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH2+]CC3)o2)C1 ZINC000904300255 650048873 /nfs/dbraw/zinc/04/88/73/650048873.db2.gz ZZUWNCXTFCSCGY-CQSZACIVSA-N 3 0 335.452 -0.024 20 0 EBADRP [NH3+]CC1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000904990603 650055523 /nfs/dbraw/zinc/05/55/23/650055523.db2.gz PZYJNXYHJXPGJR-GJZGRUSLSA-N 2 0 338.452 -0.759 20 0 EBADRP C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000904989058 650055580 /nfs/dbraw/zinc/05/55/80/650055580.db2.gz YCPKPYPBKZALGI-JKIFEVAISA-N 2 0 338.452 -0.759 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC[C@H]1[NH3+] ZINC000904985663 650055633 /nfs/dbraw/zinc/05/56/33/650055633.db2.gz DDRWPFMBQVXGNI-KBUPBQIOSA-N 2 0 338.452 -0.760 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000904996415 650057170 /nfs/dbraw/zinc/05/71/70/650057170.db2.gz PVPPKIYUCIJJHR-GJZGRUSLSA-N 2 0 338.452 -0.480 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000904995743 650057194 /nfs/dbraw/zinc/05/71/94/650057194.db2.gz NJPTVYQEULJYJD-HNNXBMFYSA-N 2 0 340.468 -0.377 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000905016568 650059992 /nfs/dbraw/zinc/05/99/92/650059992.db2.gz SRDVIDXULOAQPC-KGLIPLIRSA-N 2 0 326.441 -0.767 20 0 EBADRP CC(C)[C@@H](C[NH2+]C[C@@H](O)C1(O)CCOCC1)N1CC[NH+](C)CC1 ZINC000905112011 650061885 /nfs/dbraw/zinc/06/18/85/650061885.db2.gz WLQHECAUPPSYMK-HZPDHXFCSA-N 2 0 329.485 -0.250 20 0 EBADRP C[NH+]1CCC(C[NH2+]C[C@@H](O)C2(O)CCC2)(N2CCOCC2)CC1 ZINC000905286925 650062492 /nfs/dbraw/zinc/06/24/92/650062492.db2.gz USEMQBOIGIJNRT-OAHLLOKOSA-N 2 0 327.469 -0.352 20 0 EBADRP CN1CC[N@H+](C)CC(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000905436518 650063422 /nfs/dbraw/zinc/06/34/22/650063422.db2.gz QNWIZPUJQSCFLY-UHFFFAOYSA-N 2 0 337.512 -0.280 20 0 EBADRP C[NH+](C)CCNC(=S)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000905555439 650063944 /nfs/dbraw/zinc/06/39/44/650063944.db2.gz KACRDNGSOPSFOY-OAHLLOKOSA-N 2 0 343.541 -0.191 20 0 EBADRP CC(C)[C@@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)N1CCOCC1 ZINC000905679053 650064211 /nfs/dbraw/zinc/06/42/11/650064211.db2.gz IFJYVNYTCUUWBJ-MRXNPFEDSA-N 2 0 326.485 -0.047 20 0 EBADRP CN1CC[N@H+](C)CC(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000906515946 650068556 /nfs/dbraw/zinc/06/85/56/650068556.db2.gz IRRWUEURXSOSCX-AWEZNQCLSA-N 2 0 339.484 -0.817 20 0 EBADRP C[C@@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)C[NH+]1CCN(C)CC1 ZINC000906676321 650070016 /nfs/dbraw/zinc/07/00/16/650070016.db2.gz CACJVPYHCANCIR-HNNXBMFYSA-N 2 0 325.501 -0.521 20 0 EBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C12CC[NH+](CC1)C2 ZINC000907962414 650092305 /nfs/dbraw/zinc/09/23/05/650092305.db2.gz MBCNDSUSSWYERG-UHFFFAOYSA-N 2 0 338.452 -0.669 20 0 EBADRP CN(C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCC[NH+]1C ZINC000908370890 650100800 /nfs/dbraw/zinc/10/08/00/650100800.db2.gz HHOCMDQSECRISN-BFHYXJOUSA-N 2 0 326.441 -0.890 20 0 EBADRP CC(C)[NH2+]C1(CO)CCN(C(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000908612769 650103077 /nfs/dbraw/zinc/10/30/77/650103077.db2.gz PDJVRDZBYBXOCY-UHFFFAOYSA-N 2 0 326.485 -0.169 20 0 EBADRP C[NH+]1CC[C@H]2CN(C(=O)C(=O)N3C[C@H]4C[N@@H+](C)C[C@@]4(C)C3)CC[C@@H]21 ZINC000910765576 650129951 /nfs/dbraw/zinc/12/99/51/650129951.db2.gz JGBIBBXHGHXMSE-KRXQYRFLSA-N 2 0 334.464 -0.051 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000910946812 650141438 /nfs/dbraw/zinc/14/14/38/650141438.db2.gz PRLDVPAWTSTJAK-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)[NH+]1CCCCC1 ZINC000910946452 650141540 /nfs/dbraw/zinc/14/15/40/650141540.db2.gz MCWIQFYMVRNICU-XJKSGUPXSA-N 2 0 326.441 -0.711 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000910951747 650142174 /nfs/dbraw/zinc/14/21/74/650142174.db2.gz DFVMRKXTNQGDNX-CYBMUJFWSA-N 2 0 326.441 -0.576 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCCCn1ccnc1 ZINC000910970299 650142518 /nfs/dbraw/zinc/14/25/18/650142518.db2.gz KMVOELLRWMYSSJ-CQSZACIVSA-N 2 0 337.424 -0.384 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CCCO1 ZINC000910983571 650143630 /nfs/dbraw/zinc/14/36/30/650143630.db2.gz HYEASPZBPXJMOA-KFWWJZLASA-N 2 0 340.468 -0.153 20 0 EBADRP C[C@H]1C[C@@H](NC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000911009098 650145187 /nfs/dbraw/zinc/14/51/87/650145187.db2.gz QJMYTAJECBMCSW-UKKRHICBSA-N 2 0 336.358 -0.067 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@H]1[NH3+] ZINC000911013049 650145221 /nfs/dbraw/zinc/14/52/21/650145221.db2.gz VXIVHWDFZYWKIF-NGFQHRJXSA-N 2 0 338.452 -0.714 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000911011621 650145367 /nfs/dbraw/zinc/14/53/67/650145367.db2.gz HJQRBGVLWZUICN-NMFUWQPSSA-N 2 0 338.452 -0.796 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000911014390 650145580 /nfs/dbraw/zinc/14/55/80/650145580.db2.gz JSLJRSOREUXYMD-UONOGXRCSA-N 2 0 326.441 -0.719 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000911013913 650145876 /nfs/dbraw/zinc/14/58/76/650145876.db2.gz FEROSZZKPQDEQU-CQSZACIVSA-N 2 0 331.376 -0.603 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000911022357 650146251 /nfs/dbraw/zinc/14/62/51/650146251.db2.gz LRURRRLYNOZOHH-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000911031403 650146764 /nfs/dbraw/zinc/14/67/64/650146764.db2.gz QKOIYIYHNNYMKP-YOEHRIQHSA-N 2 0 337.468 -0.907 20 0 EBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000911053962 650147944 /nfs/dbraw/zinc/14/79/44/650147944.db2.gz FAKUJXZGCZLWPT-CZUORRHYSA-N 2 0 326.441 -0.711 20 0 EBADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911081385 650149765 /nfs/dbraw/zinc/14/97/65/650149765.db2.gz XFRUGHAAVHDDRT-CABCVRRESA-N 2 0 339.484 -0.485 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@H]1[NH3+] ZINC000911101456 650151117 /nfs/dbraw/zinc/15/11/17/650151117.db2.gz VIEVIUYDHPRTFX-VHDGCEQUSA-N 2 0 338.452 -0.448 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000911145304 650153919 /nfs/dbraw/zinc/15/39/19/650153919.db2.gz DOKWEAMUEHZYGB-BPLDGKMQSA-N 2 0 338.452 -0.578 20 0 EBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000911163846 650156421 /nfs/dbraw/zinc/15/64/21/650156421.db2.gz ZWQSQHYIGGGNJU-XJKSGUPXSA-N 2 0 326.441 -0.711 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1CCOC)C1CC1 ZINC000911186726 650157596 /nfs/dbraw/zinc/15/75/96/650157596.db2.gz LLNYFDQRNWDAER-AWEZNQCLSA-N 2 0 326.441 -0.576 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911196267 650158832 /nfs/dbraw/zinc/15/88/32/650158832.db2.gz WCZYEPUEXIDPTO-CABCVRRESA-N 2 0 340.468 -0.138 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCSC1 ZINC000911200584 650158999 /nfs/dbraw/zinc/15/89/99/650158999.db2.gz QBMREAJDFWNNPO-YFCNSXCBSA-N 2 0 326.466 -0.451 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000911197808 650159050 /nfs/dbraw/zinc/15/90/50/650159050.db2.gz CJRHRSVHZQEWEQ-XJKCOSOUSA-N 2 0 342.509 -0.098 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CCSC1 ZINC000911198533 650159139 /nfs/dbraw/zinc/15/91/39/650159139.db2.gz HALQREFAGWUJCI-IAQYHMDHSA-N 2 0 328.482 -0.264 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])CCSC1 ZINC000911199072 650159145 /nfs/dbraw/zinc/15/91/45/650159145.db2.gz JUSQNYYIXYYRRM-VBNZEHGJSA-N 2 0 340.493 -0.120 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000911238519 650161829 /nfs/dbraw/zinc/16/18/29/650161829.db2.gz QKGXENJVCVIGRG-HUUCEWRRSA-N 2 0 338.452 -0.434 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000911214310 650160140 /nfs/dbraw/zinc/16/01/40/650160140.db2.gz BDSIOXDNMZAHEA-RBSFLKMASA-N 2 0 338.452 -0.434 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000911218156 650160238 /nfs/dbraw/zinc/16/02/38/650160238.db2.gz IARFHDYPIKVNAB-MRXNPFEDSA-N 2 0 348.447 -0.189 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000911232418 650161532 /nfs/dbraw/zinc/16/15/32/650161532.db2.gz VYQNJHNHKSYLOT-QGZVFWFLSA-N 2 0 340.468 -0.185 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000911162935 650155992 /nfs/dbraw/zinc/15/59/92/650155992.db2.gz ULJWGKHHXRNNGQ-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)C1 ZINC000911243214 650162978 /nfs/dbraw/zinc/16/29/78/650162978.db2.gz USOKIKUGALLAEW-KGLIPLIRSA-N 2 0 326.441 -0.528 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C)C[NH+](C)C ZINC000911298817 650167752 /nfs/dbraw/zinc/16/77/52/650167752.db2.gz XGJMGZXRTHPCOH-JHJVBQTASA-N 2 0 344.456 -0.702 20 0 EBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911302878 650168197 /nfs/dbraw/zinc/16/81/97/650168197.db2.gz LAYRMUQCJOGRHQ-LXTVHRRPSA-N 2 0 338.452 -0.842 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911312969 650170122 /nfs/dbraw/zinc/17/01/22/650170122.db2.gz BNNOIYPJKYTYEU-XUXIUFHCSA-N 2 0 326.441 -0.714 20 0 EBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C[C@]2(C)C1 ZINC000911317487 650170475 /nfs/dbraw/zinc/17/04/75/650170475.db2.gz VXCAWBCPFVJJRZ-DWJZYCCASA-N 2 0 334.464 -0.099 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000911314000 650170844 /nfs/dbraw/zinc/17/08/44/650170844.db2.gz HIGDAFNYWSBIPX-YMAMQOFZSA-N 2 0 340.468 -0.188 20 0 EBADRP CC1(C)CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H]1[NH3+] ZINC000911336406 650172272 /nfs/dbraw/zinc/17/22/72/650172272.db2.gz IFQDBSQFMCAZHX-ZIAGYGMSSA-N 2 0 338.452 -0.448 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)C[NH+](C)C ZINC000911346496 650173487 /nfs/dbraw/zinc/17/34/87/650173487.db2.gz PBVPCGNJGYMGGG-OLZOCXBDSA-N 2 0 326.441 -0.530 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)C[NH+](C)C ZINC000911357332 650174151 /nfs/dbraw/zinc/17/41/51/650174151.db2.gz PMYIYOZATVVRHD-KGLIPLIRSA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000911379282 650177216 /nfs/dbraw/zinc/17/72/16/650177216.db2.gz COWZJTBGOKHXOK-QLFBSQMISA-N 2 0 340.468 -0.473 20 0 EBADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000911402376 650178611 /nfs/dbraw/zinc/17/86/11/650178611.db2.gz FYLXNZRZOYCZLF-KRWDZBQOSA-N 2 0 331.420 -0.024 20 0 EBADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911410675 650179092 /nfs/dbraw/zinc/17/90/92/650179092.db2.gz FAPFEJDYSKELJB-UHFFFAOYSA-N 2 0 327.473 -0.674 20 0 EBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911414007 650180243 /nfs/dbraw/zinc/18/02/43/650180243.db2.gz XDGAFCUORQSXFP-HNNXBMFYSA-N 2 0 339.484 -0.532 20 0 EBADRP CN(C(=O)C(=O)NCCN1CCC([NH3+])CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000911412546 650180255 /nfs/dbraw/zinc/18/02/55/650180255.db2.gz NQYJKPZUEWGDDB-OAHLLOKOSA-N 2 0 337.468 -0.779 20 0 EBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911414247 650180691 /nfs/dbraw/zinc/18/06/91/650180691.db2.gz ZTVXSNWPSZLNGX-CQSZACIVSA-N 2 0 339.484 -0.674 20 0 EBADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1cccnc1 ZINC000911421376 650182628 /nfs/dbraw/zinc/18/26/28/650182628.db2.gz VVPNYTJHWJQOFR-XHSDSOJGSA-N 2 0 345.447 -0.132 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)C[NH+](C)C ZINC000911433034 650183210 /nfs/dbraw/zinc/18/32/10/650183210.db2.gz AUIQZZSWDSVBGB-ZENOOKHLSA-N 2 0 326.441 -0.591 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH2+]C)C[NH+](C)C ZINC000911434797 650183442 /nfs/dbraw/zinc/18/34/42/650183442.db2.gz JETBLXBAWXWZAL-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)C[NH+](C)C ZINC000911436530 650184015 /nfs/dbraw/zinc/18/40/15/650184015.db2.gz UZTSGMOMEGQPJM-MJBXVCDLSA-N 2 0 326.441 -0.863 20 0 EBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000911490811 650188349 /nfs/dbraw/zinc/18/83/49/650188349.db2.gz UTICOOPTBHJPSL-XGUBFFRZSA-N 2 0 338.452 -0.712 20 0 EBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)CC2)C1 ZINC000911535811 650191244 /nfs/dbraw/zinc/19/12/44/650191244.db2.gz HWOQBPOVCMAHIP-ZJIFWQFVSA-N 2 0 349.479 -0.766 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911541002 650192262 /nfs/dbraw/zinc/19/22/62/650192262.db2.gz DGGGULZXJKHJDG-BYNSBNAKSA-N 2 0 338.452 -0.435 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911556504 650193585 /nfs/dbraw/zinc/19/35/85/650193585.db2.gz KVVLADQFLDYGIT-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000911559399 650193686 /nfs/dbraw/zinc/19/36/86/650193686.db2.gz DOONWJWFKLSZON-XUXIUFHCSA-N 2 0 326.441 -0.545 20 0 EBADRP C[NH+]1CC[C@@H](CC(=O)N[C@@H](CO)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000913919075 650248931 /nfs/dbraw/zinc/24/89/31/650248931.db2.gz AVFXNPVQHGSIFX-SOUVJXGZSA-N 2 0 340.468 -0.737 20 0 EBADRP CN1CCO[C@@H](CNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000916895570 650277600 /nfs/dbraw/zinc/27/76/00/650277600.db2.gz NWKXFMUGAKBUNE-CABCVRRESA-N 2 0 326.441 -0.131 20 0 EBADRP O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NC[C@H]1CN2CCN1CCC2 ZINC000917067060 650279880 /nfs/dbraw/zinc/27/98/80/650279880.db2.gz UWWZAUVRLSOYNF-HOTGVXAUSA-N 2 0 342.509 -0.218 20 0 EBADRP O=C(NC[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1)[C@H]1CCC[NH2+]1 ZINC000923327185 650338161 /nfs/dbraw/zinc/33/81/61/650338161.db2.gz AZWGSPGCXGUHQV-ARFHVFGLSA-N 2 0 335.452 -0.176 20 0 EBADRP COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923281865 650337587 /nfs/dbraw/zinc/33/75/87/650337587.db2.gz IFPGRJRXSMLKEC-CVEARBPZSA-N 3 0 342.484 -0.931 20 0 EBADRP COCCN(C)C[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923281867 650337777 /nfs/dbraw/zinc/33/77/77/650337777.db2.gz IFPGRJRXSMLKEC-HZPDHXFCSA-N 3 0 342.484 -0.931 20 0 EBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COC[C@@H]2CCCO2)C1 ZINC000923282587 650337808 /nfs/dbraw/zinc/33/78/08/650337808.db2.gz WARBKWVVBNCISF-ILXRZTDVSA-N 2 0 329.441 -0.670 20 0 EBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000923397983 650338906 /nfs/dbraw/zinc/33/89/06/650338906.db2.gz HTGJSHAUGFKELB-SDADXPQNSA-N 2 0 334.468 -0.151 20 0 EBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)C1 ZINC000923422985 650339465 /nfs/dbraw/zinc/33/94/65/650339465.db2.gz YIORNOVLIRSJER-UKRFAEJPSA-N 2 0 325.453 -0.031 20 0 EBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@@H](O)COC1CCOCC1)C2 ZINC000923428559 650339701 /nfs/dbraw/zinc/33/97/01/650339701.db2.gz JIPCFIJRNFZIMB-CFAJVAMVSA-N 2 0 342.436 -0.245 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(S(=O)(=O)C2C[NH2+]C2)CC1 ZINC000923601265 650346060 /nfs/dbraw/zinc/34/60/60/650346060.db2.gz NAWOYUMBASEMCH-OKILXGFUSA-N 2 0 330.498 -0.222 20 0 EBADRP O=S(=O)(NCC1([NH+]2CCCC2)CCOCC1)N1CC[NH2+]CC1 ZINC000923606933 650346743 /nfs/dbraw/zinc/34/67/43/650346743.db2.gz SRMZYEXFWPSJMV-UHFFFAOYSA-N 2 0 332.470 -0.629 20 0 EBADRP O=S(=O)(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000923639842 650349558 /nfs/dbraw/zinc/34/95/58/650349558.db2.gz VGEZGLGVMFICEM-MNOVXSKESA-N 2 0 344.403 -0.506 20 0 EBADRP C[C@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC[C@H]1C[NH3+] ZINC000923704119 650353770 /nfs/dbraw/zinc/35/37/70/650353770.db2.gz STHLOUGVLTVISY-GJZGRUSLSA-N 2 0 332.514 -0.130 20 0 EBADRP C[NH+](C)C[C@H]1NC(=O)N(CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1=O ZINC000924562443 650364792 /nfs/dbraw/zinc/36/47/92/650364792.db2.gz ZESIUZZYEQZTCY-VXGBXAGGSA-N 2 0 325.413 -0.944 20 0 EBADRP C[N@@H+]1C[C@@H](O)C[C@H]1CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000924985073 650370767 /nfs/dbraw/zinc/37/07/67/650370767.db2.gz GBOSMEBPYTWBLP-GJZGRUSLSA-N 2 0 333.436 -0.372 20 0 EBADRP C[N@@H+]1C[C@@H](O)C[C@@H]1CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000924983374 650370921 /nfs/dbraw/zinc/37/09/21/650370921.db2.gz FDFIIJIIQQEEMX-CVEARBPZSA-N 2 0 347.463 -0.225 20 0 EBADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)N[C@H]1C[NH2+]CCOC1 ZINC000925636067 650380254 /nfs/dbraw/zinc/38/02/54/650380254.db2.gz ZSVDRPMIWWPROI-IRXDYDNUSA-N 2 0 334.464 -0.147 20 0 EBADRP c1cnc(N2CC[NH+](CCCC[NH2+][C@@H]3CNCCOC3)CC2)nc1 ZINC000925493758 650379280 /nfs/dbraw/zinc/37/92/80/650379280.db2.gz YYJLZNSMWLNFKU-MRXNPFEDSA-N 2 0 334.468 -0.043 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C[C@H]1[NH3+] ZINC000926312447 650385613 /nfs/dbraw/zinc/38/56/13/650385613.db2.gz OQGUWIVGAKOUCF-UKRRQHHQSA-N 2 0 339.484 -0.724 20 0 EBADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000926314528 650385715 /nfs/dbraw/zinc/38/57/15/650385715.db2.gz FHYHGSOOKMCCML-KRWDZBQOSA-N 2 0 340.468 -0.369 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC[C@@H]1C[NH3+] ZINC000926329689 650386092 /nfs/dbraw/zinc/38/60/92/650386092.db2.gz GZWAAQFZOAPMMJ-LSDHHAIUSA-N 3 0 341.500 -0.619 20 0 EBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926362113 650389286 /nfs/dbraw/zinc/38/92/86/650389286.db2.gz VINKGFFQYURGQB-JKIFEVAISA-N 2 0 338.452 -0.616 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)C[NH+](C)C ZINC000929747843 651563220 /nfs/dbraw/zinc/56/32/20/651563220.db2.gz NPGZXBGIMNIKQM-GXTWGEPZSA-N 2 0 326.441 -0.578 20 0 EBADRP C[NH+](C)CC(=O)N1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000930121396 651584249 /nfs/dbraw/zinc/58/42/49/651584249.db2.gz SITAFSATXRKYOG-UHFFFAOYSA-N 2 0 326.441 -0.670 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)C[NH+](C)C ZINC000930479704 651598937 /nfs/dbraw/zinc/59/89/37/651598937.db2.gz MVYVRERDIXXEOS-GZBFAFLISA-N 2 0 340.468 -0.189 20 0 EBADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000930663883 651607718 /nfs/dbraw/zinc/60/77/18/651607718.db2.gz RAFSROLJPOVIBG-OAHLLOKOSA-N 2 0 329.485 -0.106 20 0 EBADRP C[C@@H](CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931276814 651629038 /nfs/dbraw/zinc/62/90/38/651629038.db2.gz IEMGQNRNEZGGBC-OAECSROHSA-N 2 0 349.523 -0.525 20 0 EBADRP Cn1c2ncn(CC[N@@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)c2c(=O)n(C)c1=O ZINC000931434132 651633287 /nfs/dbraw/zinc/63/32/87/651633287.db2.gz NDTOWFLGZPKDRM-OLZOCXBDSA-N 2 0 346.435 -0.683 20 0 EBADRP C[C@H]1COC[C@@H]1NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000932089150 651666676 /nfs/dbraw/zinc/66/66/76/651666676.db2.gz BEWWVXJFVVLJDQ-YJNKXOJESA-N 2 0 340.468 -0.665 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)C[NH+](C)C ZINC000932467270 651681545 /nfs/dbraw/zinc/68/15/45/651681545.db2.gz IRWYUGSJVXJVCA-RBSFLKMASA-N 2 0 342.484 -0.132 20 0 EBADRP CC[C@H](C(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC000944708563 653179330 /nfs/dbraw/zinc/17/93/30/653179330.db2.gz KBPMYTGAFVRRRA-RRFJBIMHSA-N 2 0 340.468 -0.236 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+][C@@H]3CCNC3=O)CC2)CC[N@@H+]1C ZINC000946921118 653265789 /nfs/dbraw/zinc/26/57/89/653265789.db2.gz BJCGGFRTIZFGLI-MGPQQGTHSA-N 2 0 338.452 -0.842 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1)[NH+](C)C ZINC000946925388 653271513 /nfs/dbraw/zinc/27/15/13/653271513.db2.gz PJIOMEQWUMINAM-KGLIPLIRSA-N 2 0 340.468 -0.596 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(O)(C[NH2+][C@H]3CCNC3=O)CC2)C1 ZINC000946927383 653274061 /nfs/dbraw/zinc/27/40/61/653274061.db2.gz HSDVGPXRPGLSDQ-KBPBESRZSA-N 2 0 338.452 -0.840 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC000946927915 653274442 /nfs/dbraw/zinc/27/44/42/653274442.db2.gz OYKAYMXFKYSWEU-UONOGXRCSA-N 2 0 338.452 -0.698 20 0 EBADRP NC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000392114741 719415081 /nfs/dbraw/zinc/41/50/81/719415081.db2.gz WMIOCGUPSNHRPM-CQSZACIVSA-N 2 0 334.420 -0.162 20 0 EBADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000954315773 719663543 /nfs/dbraw/zinc/66/35/43/719663543.db2.gz JHLHPDYKQOYTGD-ZBFHGGJFSA-N 2 0 334.464 -0.051 20 0 EBADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000954357359 719691289 /nfs/dbraw/zinc/69/12/89/719691289.db2.gz RZKDWMGSIWYCAT-GDBMZVCRSA-N 2 0 334.464 -0.051 20 0 EBADRP O=C(NC[C@H]1C[N@H+](CCCO)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC000958176131 722318612 /nfs/dbraw/zinc/31/86/12/722318612.db2.gz QHFHYWMCJYGXDI-LSDHHAIUSA-N 2 0 325.453 -0.346 20 0 EBADRP COCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000958248789 722333574 /nfs/dbraw/zinc/33/35/74/722333574.db2.gz OUDCBWXZBJBJTC-BBRMVZONSA-N 2 0 345.403 -0.064 20 0 EBADRP C[NH+](C)Cc1ccoc1C(=O)NC[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC000958346259 722349749 /nfs/dbraw/zinc/34/97/49/722349749.db2.gz XEURFDBSHNHTIU-ZIAGYGMSSA-N 2 0 325.409 -0.254 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CCn3cncn3)C[C@H]2O)CC1 ZINC000958374232 722354131 /nfs/dbraw/zinc/35/41/31/722354131.db2.gz LPEPOELPWYLQCM-LSDHHAIUSA-N 2 0 336.440 -0.971 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CCn3cccn3)C[C@H]2O)CC1 ZINC000958375441 722354416 /nfs/dbraw/zinc/35/44/16/722354416.db2.gz UEXRQIOQMJJZFL-JKSUJKDBSA-N 2 0 335.452 -0.366 20 0 EBADRP Cc1oncc1C[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958592766 722397626 /nfs/dbraw/zinc/39/76/26/722397626.db2.gz VTNWXAUDVUHTLW-CABCVRRESA-N 2 0 334.420 -0.012 20 0 EBADRP O=C(NC[C@H]1C[N@@H+](CC2CCOCC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958595671 722398537 /nfs/dbraw/zinc/39/85/37/722398537.db2.gz UDYSUYJPXZUOKC-JKSUJKDBSA-N 2 0 337.464 -0.082 20 0 EBADRP Cc1ncoc1C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958596026 722398748 /nfs/dbraw/zinc/39/87/48/722398748.db2.gz YBAZVGLGJQKNAQ-KBPBESRZSA-N 2 0 334.420 -0.012 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C1)C1CC1 ZINC001018966710 728757997 /nfs/dbraw/zinc/75/79/97/728757997.db2.gz QLIWPQUBFZQUEC-HOCLYGCPSA-N 2 0 338.452 -0.624 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21)[C@@H]1C[NH+]2CCC1CC2 ZINC000959918961 722775315 /nfs/dbraw/zinc/77/53/15/722775315.db2.gz HEGUYUCXRBCMQS-WCVJEAGWSA-N 2 0 330.436 -0.334 20 0 EBADRP CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001018999548 728770419 /nfs/dbraw/zinc/77/04/19/728770419.db2.gz XDSQRGGIBRTAMN-JSGCOSHPSA-N 2 0 339.440 -0.685 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21)C12CCC[NH+]1CCC2 ZINC000960778136 722863903 /nfs/dbraw/zinc/86/39/03/722863903.db2.gz VDTTUIGGOOEMFE-LJISPDSOSA-N 2 0 332.448 -0.060 20 0 EBADRP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC000961594745 723042381 /nfs/dbraw/zinc/04/23/81/723042381.db2.gz HZUMCAAXDSEDCK-WCVJEAGWSA-N 2 0 334.464 -0.051 20 0 EBADRP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC000961594724 723042443 /nfs/dbraw/zinc/04/24/43/723042443.db2.gz HZUMCAAXDSEDCK-CAOSSQGBSA-N 2 0 334.464 -0.051 20 0 EBADRP CN(C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC000961666935 723055002 /nfs/dbraw/zinc/05/50/02/723055002.db2.gz YIYGWOFXPXDJSO-QLPKVWCKSA-N 2 0 334.464 -0.005 20 0 EBADRP C[N@H+](CC(=O)N1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1)C1CCC1 ZINC000961929756 723122054 /nfs/dbraw/zinc/12/20/54/723122054.db2.gz CKGVBAOERBAXSJ-KFWWJZLASA-N 2 0 338.452 -0.747 20 0 EBADRP CC1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@H+](CCN4CCNC4=O)C[C@H]32)CC1 ZINC000962141467 723178922 /nfs/dbraw/zinc/17/89/22/723178922.db2.gz MCUUEIDHXYOLQO-QLPKVWCKSA-N 2 0 349.479 -0.210 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[NH+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC000962308116 723223269 /nfs/dbraw/zinc/22/32/69/723223269.db2.gz NQZREXLUMXPOFT-UYAYXHRUSA-N 2 0 348.447 -0.476 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NC2CC(C[NH2+][C@H]3CCNC3=O)C2)cn1 ZINC000962413828 723244204 /nfs/dbraw/zinc/24/42/04/723244204.db2.gz YMMDPAFPFXWDMG-ZALBZXLWSA-N 2 0 348.451 -0.569 20 0 EBADRP C[C@@H]([NH2+]CC1CC(NC(=O)C23CC[NH+](CC2)C3)C1)c1nnnn1C ZINC000962541003 723279987 /nfs/dbraw/zinc/27/99/87/723279987.db2.gz MNLYROFOXWMWGK-PNESKVBLSA-N 2 0 333.440 -0.149 20 0 EBADRP Cc1nc(C)n(CC[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC000962553111 723283046 /nfs/dbraw/zinc/28/30/46/723283046.db2.gz KTYAMEUUTSUIJN-CAOSSQGBSA-N 2 0 332.452 -0.107 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCCN4CCCC4=O)C[C@H]32)C1 ZINC000962596558 723292447 /nfs/dbraw/zinc/29/24/47/723292447.db2.gz YAHOCZJFTCFNDJ-LJIGWXMPSA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC000963486723 723433335 /nfs/dbraw/zinc/43/33/35/723433335.db2.gz OLPZOGYTAPJNAG-ZNMIVQPWSA-N 2 0 338.452 -0.746 20 0 EBADRP C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)CCC1 ZINC000963485681 723433381 /nfs/dbraw/zinc/43/33/81/723433381.db2.gz FLNFOHMOYSDAKV-KGLIPLIRSA-N 2 0 338.452 -0.746 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+][C@H]1CCC(=O)NC1=O)C2 ZINC000963631191 723458720 /nfs/dbraw/zinc/45/87/20/723458720.db2.gz HBIZRKXGXQYKIG-PGXNFDAXSA-N 2 0 348.447 -0.097 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001019241621 728835549 /nfs/dbraw/zinc/83/55/49/728835549.db2.gz PBZHATLDDVEAQW-MELADBBJSA-N 2 0 329.466 -0.294 20 0 EBADRP Cn1cncc1CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000964117585 723816442 /nfs/dbraw/zinc/81/64/42/723816442.db2.gz GCLXJVRLQMJCBN-CABCVRRESA-N 2 0 349.435 -0.600 20 0 EBADRP C[NH+]1CCC[C@@H]1C(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000964287626 723942049 /nfs/dbraw/zinc/94/20/49/723942049.db2.gz MGMRDBFTOBFXHT-RRFJBIMHSA-N 2 0 338.452 -0.482 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCN2CCCS2(=O)=O)C1)[NH+](C)C ZINC001019397246 728878588 /nfs/dbraw/zinc/87/85/88/728878588.db2.gz PVOFMAQPVOVLNZ-KBPBESRZSA-N 2 0 346.497 -0.447 20 0 EBADRP CC1CC[NH+](CC(=O)N2CC[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001019560337 728922060 /nfs/dbraw/zinc/92/20/60/728922060.db2.gz BAVNGZITKNFKMB-UONOGXRCSA-N 2 0 336.436 -0.286 20 0 EBADRP Cn1nncc1C[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000968714045 725108508 /nfs/dbraw/zinc/10/85/08/725108508.db2.gz BENCBBDGIZEFFN-CYBMUJFWSA-N 2 0 346.439 -0.423 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H]([NH2+][C@H]3CCCNC3=O)C2)n1 ZINC000968719330 725109279 /nfs/dbraw/zinc/10/92/79/725109279.db2.gz QSWMHSLUIAKHPD-KGLIPLIRSA-N 2 0 348.451 -0.473 20 0 EBADRP CC[C@H]([NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1)C(N)=O ZINC000968719169 725109389 /nfs/dbraw/zinc/10/93/89/725109389.db2.gz KVENLBGEMHRRCP-OLZOCXBDSA-N 2 0 336.440 -0.487 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(C(=O)CCn3ccnc3)C[C@@H]2O)C1 ZINC000969078834 725149260 /nfs/dbraw/zinc/14/92/60/725149260.db2.gz WLFNFEWMCJLUAQ-KFWWJZLASA-N 2 0 349.435 -0.697 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC000969100130 725151691 /nfs/dbraw/zinc/15/16/91/725151691.db2.gz YDLCYILXPHVKMW-CABCVRRESA-N 2 0 338.452 -0.480 20 0 EBADRP Cn1cncc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000969407561 725177142 /nfs/dbraw/zinc/17/71/42/725177142.db2.gz KFTATPDZSVTEAJ-IFRCIOGXSA-N 2 0 345.447 -0.026 20 0 EBADRP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](CCN2C(=O)CCC2=O)C1 ZINC000969413022 725178214 /nfs/dbraw/zinc/17/82/14/725178214.db2.gz XSQNFVJGFDFPAC-JSGCOSHPSA-N 2 0 336.436 -0.334 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@H]([N@H+](C)[C@H]3CCNC3=O)C2)n1 ZINC000971555652 725420924 /nfs/dbraw/zinc/42/09/24/725420924.db2.gz IDXZSDAOZKFMQZ-ZFWWWQNUSA-N 2 0 348.451 -0.521 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC000971780137 725436590 /nfs/dbraw/zinc/43/65/90/725436590.db2.gz VRFCSFDGDDOISI-QWHCGFSZSA-N 2 0 339.440 -0.589 20 0 EBADRP C[N@H+]([C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)[C@H]1CCC(=O)NC1=O ZINC000972235842 725482186 /nfs/dbraw/zinc/48/21/86/725482186.db2.gz RPKHJIFSIOMVEC-KGLIPLIRSA-N 2 0 336.436 -0.334 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCN2CCNC2=O)C1)[NH+](C)C ZINC000972355162 725505434 /nfs/dbraw/zinc/50/54/34/725505434.db2.gz SGPSJVBDPFZVGZ-KBPBESRZSA-N 2 0 325.457 -0.116 20 0 EBADRP CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CCO2)C1=O ZINC001051654967 735296211 /nfs/dbraw/zinc/29/62/11/735296211.db2.gz BKCQOOWFSDIAON-CABCVRRESA-N 2 0 338.452 -0.482 20 0 EBADRP O=C(C[NH+]1CCCC1)NC1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000991741078 725595281 /nfs/dbraw/zinc/59/52/81/725595281.db2.gz IADSBMIOCTXWOH-DBQDNQAGSA-N 2 0 348.447 -0.728 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCO[C@H](C[NH2+]Cc2cnnn2C)C1)[NH+](C)C ZINC001051666744 735306400 /nfs/dbraw/zinc/30/64/00/735306400.db2.gz GBVKARBRZGDSMF-CABCVRRESA-N 2 0 338.456 -0.282 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)nc1=O ZINC000995170716 726180519 /nfs/dbraw/zinc/18/05/19/726180519.db2.gz XHWLJTBJZSJYFW-STQMWFEESA-N 2 0 348.451 -0.421 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000976285046 726253794 /nfs/dbraw/zinc/25/37/94/726253794.db2.gz MESGCLPMBRDABK-GAGVYUBLSA-N 2 0 334.464 -0.005 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000976286596 726254550 /nfs/dbraw/zinc/25/45/50/726254550.db2.gz QWEXWTNOCYGMMI-LEOABGAYSA-N 2 0 334.464 -0.006 20 0 EBADRP C[N@H+](CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1)C1CCC1 ZINC000976533469 726337344 /nfs/dbraw/zinc/33/73/44/726337344.db2.gz QTNJTFLCSSDYHK-MKVSYHDVSA-N 2 0 334.464 -0.005 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC000996561050 726418429 /nfs/dbraw/zinc/41/84/29/726418429.db2.gz OGVIVDYAJWZENP-CABCVRRESA-N 2 0 348.447 -0.286 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC000996561055 726418467 /nfs/dbraw/zinc/41/84/67/726418467.db2.gz OGVIVDYAJWZENP-LSDHHAIUSA-N 2 0 348.447 -0.286 20 0 EBADRP Cn1nncc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000996617622 726420131 /nfs/dbraw/zinc/42/01/31/726420131.db2.gz CBVXDEIIOFRJPO-GOEBONIOSA-N 2 0 348.451 -0.241 20 0 EBADRP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC000996613598 726420207 /nfs/dbraw/zinc/42/02/07/726420207.db2.gz WCKPBYOCHVNQBJ-QWHCGFSZSA-N 2 0 336.436 -0.286 20 0 EBADRP Cn1cnnc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000996618950 726420297 /nfs/dbraw/zinc/42/02/97/726420297.db2.gz HZMPSGQNIILWNZ-HUUCEWRRSA-N 2 0 348.451 -0.241 20 0 EBADRP Cn1ncnc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000996624246 726420430 /nfs/dbraw/zinc/42/04/30/726420430.db2.gz XCUBEHQXOZJNEX-CABCVRRESA-N 2 0 348.451 -0.241 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CCC([NH2+]CCN2CCNC2=O)CC1)C1CC1 ZINC000996676724 726421850 /nfs/dbraw/zinc/42/18/50/726421850.db2.gz HSWQWSPOIBMOKK-HNNXBMFYSA-N 2 0 337.468 -0.068 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC000996723306 726423873 /nfs/dbraw/zinc/42/38/73/726423873.db2.gz LEVQPLWFUWNWKV-UONOGXRCSA-N 2 0 336.436 -0.144 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000997062437 726436933 /nfs/dbraw/zinc/43/69/33/726436933.db2.gz BTLGZSIAQCKKLC-NSWWBONSSA-N 2 0 348.447 -0.728 20 0 EBADRP C[C@H]([NH2+]C1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1)C(N)=O ZINC000997086492 726437621 /nfs/dbraw/zinc/43/76/21/726437621.db2.gz ZMLQIVYPKZJIHH-LBPRGKRZSA-N 2 0 336.440 -0.487 20 0 EBADRP O=C(N1CCC([NH2+][C@H]2CCC(=O)NC2=O)CC1)C12CC[NH+](CC1)C2 ZINC000997191730 726440537 /nfs/dbraw/zinc/44/05/37/726440537.db2.gz GBBNFMYQTUIMHQ-ZDUSSCGKSA-N 2 0 334.420 -0.532 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]C[C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000997304391 726445524 /nfs/dbraw/zinc/44/55/24/726445524.db2.gz UMRXFBZKPSZKQP-UONOGXRCSA-N 2 0 343.493 -0.047 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCC([NH2+]CCN2C(=O)CCC2=O)CC1 ZINC000997307392 726445656 /nfs/dbraw/zinc/44/56/56/726445656.db2.gz PVQWPBNKOJIFNU-UHFFFAOYSA-N 2 0 336.436 -0.188 20 0 EBADRP CC[C@@H]([NH2+]C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1)C(N)=O ZINC000997313618 726445970 /nfs/dbraw/zinc/44/59/70/726445970.db2.gz SHAKIMVQKIUEND-DZGCQCFKSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3nnnn3C)CC2)CC[N@@H+]1C ZINC000997786490 726464547 /nfs/dbraw/zinc/46/45/47/726464547.db2.gz QZARXFMGWCAPJK-TZMCWYRMSA-N 2 0 335.456 -0.122 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+][C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC000998265366 726482850 /nfs/dbraw/zinc/48/28/50/726482850.db2.gz LRKSRAMUPZTNLG-ZIAGYGMSSA-N 2 0 336.436 -0.429 20 0 EBADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000998550537 726490627 /nfs/dbraw/zinc/49/06/27/726490627.db2.gz MVOLZIGDYQFNTH-WXRRBKDZSA-N 2 0 337.424 -0.789 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC000998723892 726495956 /nfs/dbraw/zinc/49/59/56/726495956.db2.gz SMAKOOAHVPTCRL-GJZGRUSLSA-N 2 0 338.452 -0.480 20 0 EBADRP Cn1[nH]c(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)nc1=O ZINC000999167546 726509616 /nfs/dbraw/zinc/50/96/16/726509616.db2.gz ARPWBIKSZNIWOF-KGLIPLIRSA-N 2 0 348.451 -0.469 20 0 EBADRP NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000999352946 726515541 /nfs/dbraw/zinc/51/55/41/726515541.db2.gz LHENCBFNZYAQGQ-HIFRSBDPSA-N 2 0 338.452 -0.304 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCc1cn([C@H]2CC[NH+](CCO)C2)nn1 ZINC000999996485 726548587 /nfs/dbraw/zinc/54/85/87/726548587.db2.gz JPBYYVYUHQARPG-GJZGRUSLSA-N 2 0 336.440 -0.382 20 0 EBADRP O=C(NCc1cn([C@H]2CC[N@@H+](CCCO)C2)nn1)C12CC[NH+](CC1)C2 ZINC001000033252 726551930 /nfs/dbraw/zinc/55/19/30/726551930.db2.gz CLEKZNKEPKEQBT-HNNXBMFYSA-N 2 0 348.451 -0.381 20 0 EBADRP O=C(NCc1cn([C@H]2CC[N@@H+](CCO)C2)nn1)C12CC[NH+](CC1)C2 ZINC001000035946 726552095 /nfs/dbraw/zinc/55/20/95/726552095.db2.gz RKRJDMSRVYMEHQ-AWEZNQCLSA-N 2 0 334.424 -0.771 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001000192724 726558298 /nfs/dbraw/zinc/55/82/98/726558298.db2.gz NAWJGWSSMJCKDH-LSDHHAIUSA-N 2 0 337.468 -0.066 20 0 EBADRP O=C(N1CCC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)C12CC[NH+](CC1)C2 ZINC001000711332 726575685 /nfs/dbraw/zinc/57/56/85/726575685.db2.gz OCPJWQIIADVCBN-AWEZNQCLSA-N 2 0 348.447 -0.188 20 0 EBADRP Cc1nc[nH]c1CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001000793284 726577932 /nfs/dbraw/zinc/57/79/32/726577932.db2.gz DQSHDPAAZLKZLW-CQSZACIVSA-N 2 0 349.435 -0.300 20 0 EBADRP CCN1CCO[C@H](C(=O)N2CCC[C@H](NCc3nncn3C)C2)C1 ZINC001000968461 726585671 /nfs/dbraw/zinc/58/56/71/726585671.db2.gz JSMQQCZBVHIZPI-KBPBESRZSA-N 2 0 336.440 -0.384 20 0 EBADRP CCN1CCO[C@@H](C(=O)N2CCC[C@@H](NCc3ncnn3C)C2)C1 ZINC001000969444 726585678 /nfs/dbraw/zinc/58/56/78/726585678.db2.gz LOGYXYNYOYUOBE-ZIAGYGMSSA-N 2 0 336.440 -0.384 20 0 EBADRP C[C@@H](O)C[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001000979396 726585902 /nfs/dbraw/zinc/58/59/02/726585902.db2.gz ZIADBCDYTLWTAP-ZFRYHDOHSA-N 2 0 335.448 -0.021 20 0 EBADRP Cc1nccn1CC(=O)N1CC(CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001001312929 726602484 /nfs/dbraw/zinc/60/24/84/726602484.db2.gz UMVFPHDPTOTFKC-CQSZACIVSA-N 2 0 335.408 -0.903 20 0 EBADRP O=C(NCC1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1)C12CC[NH+](CC1)C2 ZINC001003330985 726669908 /nfs/dbraw/zinc/66/99/08/726669908.db2.gz JTTLMDAAANIRSS-INIZCTEOSA-N 2 0 346.475 -0.001 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC2CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)C1 ZINC001003976870 726696554 /nfs/dbraw/zinc/69/65/54/726696554.db2.gz SRMSPOTTWGQUQA-JSGCOSHPSA-N 2 0 336.436 -0.286 20 0 EBADRP O=C(NC1CC[NH+](C[C@H](O)Cn2cccn2)CC1)C12CC[NH+](CC1)C2 ZINC001003983061 726696683 /nfs/dbraw/zinc/69/66/83/726696683.db2.gz HAEAEUSYYPVNOW-INIZCTEOSA-N 2 0 347.463 -0.080 20 0 EBADRP CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H]2CN(CC)CCO2)CC1 ZINC001004177780 726702288 /nfs/dbraw/zinc/70/22/88/726702288.db2.gz ASOWKBDGICYTMW-ZIAGYGMSSA-N 2 0 326.441 -0.448 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001008890262 726822805 /nfs/dbraw/zinc/82/28/05/726822805.db2.gz SCHKJLZHMMVDIS-JONQDZQNSA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001009525728 726928287 /nfs/dbraw/zinc/92/82/87/726928287.db2.gz WLYLKUYQSQLVAG-JKSUJKDBSA-N 2 0 335.452 -0.080 20 0 EBADRP Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001051800889 735404213 /nfs/dbraw/zinc/40/42/13/735404213.db2.gz GFYNVXYLZPJNPS-OAHLLOKOSA-N 2 0 336.440 -0.526 20 0 EBADRP CC1CC[NH+](CC(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001051881689 735442735 /nfs/dbraw/zinc/44/27/35/735442735.db2.gz FXJYRTBOVJQUNS-LSDHHAIUSA-N 2 0 338.452 -0.576 20 0 EBADRP Cn1cncc1C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001051904547 735456441 /nfs/dbraw/zinc/45/64/41/735456441.db2.gz QAXOKTFNVQXMOS-OAHLLOKOSA-N 2 0 333.436 -0.167 20 0 EBADRP CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001051934467 735472579 /nfs/dbraw/zinc/47/25/79/735472579.db2.gz PRDNAFQXVHBOJT-HNNXBMFYSA-N 2 0 336.440 -0.289 20 0 EBADRP O=C(N[C@H]1CC12CC[NH+](CCO)CC2)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001016740593 728500101 /nfs/dbraw/zinc/50/01/01/728500101.db2.gz KYLBDOVJLPETEM-DIODGJHASA-N 2 0 335.448 -0.187 20 0 EBADRP CC(C)[C@H](C(=O)N1CC[C@H](N2CC[NH+](CCO)CC2)C1)[NH+](C)C ZINC001052075994 735535648 /nfs/dbraw/zinc/53/56/48/735535648.db2.gz FPHOVAMTOFQZID-JKSUJKDBSA-N 2 0 326.485 -0.217 20 0 EBADRP O=C(N1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001019712932 728976312 /nfs/dbraw/zinc/97/63/12/728976312.db2.gz ILFQFURFQVVJBQ-KSSFIOAISA-N 2 0 348.447 -0.188 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001020026138 729057968 /nfs/dbraw/zinc/05/79/68/729057968.db2.gz IFNWPWLHHWXRBS-AVGNSLFASA-N 2 0 334.424 -0.361 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001020171933 729089700 /nfs/dbraw/zinc/08/97/00/729089700.db2.gz DQPSYYKLRCSCQZ-KJWHEZOQSA-N 2 0 343.493 -0.002 20 0 EBADRP O=C(N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001020178692 729092676 /nfs/dbraw/zinc/09/26/76/729092676.db2.gz BBSBLSSICPQTKP-ZQDZILKHSA-N 2 0 334.424 -0.622 20 0 EBADRP O=C(N[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001020432244 729166105 /nfs/dbraw/zinc/16/61/05/729166105.db2.gz GWNSGEILOJSDAH-IXYNUQLISA-N 2 0 348.447 -0.097 20 0 EBADRP CC(C)(C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)[NH+]1CCCC1 ZINC001020463527 729176513 /nfs/dbraw/zinc/17/65/13/729176513.db2.gz FFABHOSHTYDNSY-JHJVBQTASA-N 2 0 336.436 -0.097 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001020586206 729204857 /nfs/dbraw/zinc/20/48/57/729204857.db2.gz ICOYLTYQYHWMPW-KKUMJFAQSA-N 2 0 338.452 -0.434 20 0 EBADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1)C(N)=O ZINC001020721086 729223252 /nfs/dbraw/zinc/22/32/52/729223252.db2.gz KAORFMGUCQZNKS-IHRRRGAJSA-N 2 0 336.440 -0.441 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001021049356 729275217 /nfs/dbraw/zinc/27/52/17/729275217.db2.gz NBMFIYGDBKWDEY-LXTVHRRPSA-N 2 0 343.493 0.000 20 0 EBADRP O=C(N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001022118944 729457162 /nfs/dbraw/zinc/45/71/62/729457162.db2.gz AYIUDVDCPDKZQY-FZKCQIBNSA-N 2 0 333.436 -0.017 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1)C(N)=O ZINC001022195570 729465583 /nfs/dbraw/zinc/46/55/83/729465583.db2.gz DIGOYUUPZFKGHB-GUIRCDHDSA-N 2 0 338.452 -0.260 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)nc1=O ZINC001022274119 729473294 /nfs/dbraw/zinc/47/32/94/729473294.db2.gz LTAUZLANWZQAOF-BETUJISGSA-N 2 0 348.451 -0.279 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001022717183 729524174 /nfs/dbraw/zinc/52/41/74/729524174.db2.gz SDDQTGNBUZYMOZ-YIYPIFLZSA-N 2 0 336.436 -0.430 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001022714302 729524460 /nfs/dbraw/zinc/52/44/60/729524460.db2.gz TYTMCWJXKGPKFA-RWMBFGLXSA-N 2 0 337.424 -0.883 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001022718874 729525032 /nfs/dbraw/zinc/52/50/32/729525032.db2.gz FPKMSDRSNQLGGB-XQLPTFJDSA-N 2 0 338.452 -0.720 20 0 EBADRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)CC1 ZINC001022809853 729534647 /nfs/dbraw/zinc/53/46/47/729534647.db2.gz VSXQDUGWZNNAGE-GASCZTMLSA-N 2 0 337.468 -0.020 20 0 EBADRP CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)c3cnn(CC[NH+](C)C)c3)C2)C1=O ZINC001022838725 729536836 /nfs/dbraw/zinc/53/68/36/729536836.db2.gz YIOGERCGOVIPKU-QLFBSQMISA-N 2 0 348.451 -0.474 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001023793194 729799677 /nfs/dbraw/zinc/79/96/77/729799677.db2.gz ASOVYVJIJINPIM-RRFJBIMHSA-N 2 0 338.452 -0.888 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)CC[N@@H+]1C ZINC001023970221 729822320 /nfs/dbraw/zinc/82/23/20/729822320.db2.gz GMEOLTYSXORLHF-KBUPBQIOSA-N 2 0 338.452 -0.890 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001023988877 729824966 /nfs/dbraw/zinc/82/49/66/729824966.db2.gz HBVWWXGSUDWDOK-ZFWWWQNUSA-N 2 0 347.467 -0.120 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001024238423 729864933 /nfs/dbraw/zinc/86/49/33/729864933.db2.gz LGOLXVQHATXLDW-CYBMUJFWSA-N 2 0 333.440 -0.366 20 0 EBADRP CN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1=O ZINC001025787291 730088199 /nfs/dbraw/zinc/08/81/99/730088199.db2.gz KNQKQJLWOMWMRE-OWYFMNJBSA-N 2 0 332.448 -0.395 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCCN(C)C4=O)C[C@H]32)CC[N@@H+]1C ZINC001025794045 730089671 /nfs/dbraw/zinc/08/96/71/730089671.db2.gz PDJBDDJBWPSZKH-FWXGHANASA-N 2 0 334.464 -0.006 20 0 EBADRP Cn1cncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025799055 730090159 /nfs/dbraw/zinc/09/01/59/730090159.db2.gz RCSCZUUBTKCUQT-BTYMGIQYSA-N 2 0 345.447 -0.170 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025820325 730096950 /nfs/dbraw/zinc/09/69/50/730096950.db2.gz MZETWQHZBABXKE-GGAZOKNXSA-N 2 0 334.420 -0.678 20 0 EBADRP CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC[NH+](C)C2)C1=O ZINC001026140353 730124298 /nfs/dbraw/zinc/12/42/98/730124298.db2.gz IQFSNRLVQQQMPA-DEQQHWRFSA-N 2 0 334.464 -0.005 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@H]4CCNC(=O)CC4)C[C@H]32)C1 ZINC001026145819 730125703 /nfs/dbraw/zinc/12/57/03/730125703.db2.gz MDXWVUPWFOSMCY-NMNMXBMNSA-N 2 0 334.464 -0.099 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001027066121 730186048 /nfs/dbraw/zinc/18/60/48/730186048.db2.gz MDEJFNRKFFLNJV-CYBMUJFWSA-N 2 0 335.456 -0.120 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CC[C@H](C[NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001027146306 730192408 /nfs/dbraw/zinc/19/24/08/730192408.db2.gz JJMTXUXLDHYLNT-HIFRSBDPSA-N 2 0 338.452 -0.576 20 0 EBADRP C[C@H](C(N)=O)[N@H+](C)[C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001027635787 730230546 /nfs/dbraw/zinc/23/05/46/730230546.db2.gz ZQWVRYAGXYJSCV-ZIAGYGMSSA-N 2 0 340.468 -0.106 20 0 EBADRP C[N@H+]([C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@H]1CCC(=O)NC1=O ZINC001027651350 730231350 /nfs/dbraw/zinc/23/13/50/730231350.db2.gz KQWSLTWSJIYVJS-KBPBESRZSA-N 2 0 348.447 -0.190 20 0 EBADRP C[N@@H+]([C@@H]1CCC(=O)NC1=O)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001027651352 730231580 /nfs/dbraw/zinc/23/15/80/730231580.db2.gz KQWSLTWSJIYVJS-UONOGXRCSA-N 2 0 348.447 -0.190 20 0 EBADRP O=C(NC[C@H]1CCC[N@@H+]1CCN1CCNC1=O)C12CC[NH+](CC1)C2 ZINC001028264273 730278568 /nfs/dbraw/zinc/27/85/68/730278568.db2.gz CXAJOUMXIMIDIR-CQSZACIVSA-N 2 0 335.452 -0.312 20 0 EBADRP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001029356308 730400857 /nfs/dbraw/zinc/40/08/57/730400857.db2.gz JPISMZJFVYMJBE-XJFOESAGSA-N 2 0 336.436 -0.193 20 0 EBADRP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCO ZINC001029399905 730403193 /nfs/dbraw/zinc/40/31/93/730403193.db2.gz WUVKASBVXFXGMD-SYGRHNPNSA-N 2 0 335.448 -0.093 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3[C@@H]2CCC(=O)NC2=O)C1 ZINC001029473369 730407026 /nfs/dbraw/zinc/40/70/26/730407026.db2.gz KWSBHOOXOVRWCG-APIJFGDWSA-N 2 0 348.447 -0.191 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CC[C@@H](C1)N2[C@@H]1CCC(=O)NC1=O ZINC001029474424 730407093 /nfs/dbraw/zinc/40/70/93/730407093.db2.gz WHHBHKXZZQTVAG-BYNSBNAKSA-N 2 0 348.447 -0.049 20 0 EBADRP O=C(NCC1C[NH+](CCN2CCCC2=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001031673190 730748972 /nfs/dbraw/zinc/74/89/72/730748972.db2.gz ZQCRUVQQPRGQTB-MRXNPFEDSA-N 2 0 334.464 -0.001 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCN2CCNC2=O)C1 ZINC001031713636 730755880 /nfs/dbraw/zinc/75/58/80/730755880.db2.gz CYRFMEWGPMSAMG-OAHLLOKOSA-N 2 0 337.468 -0.066 20 0 EBADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001033594942 731045498 /nfs/dbraw/zinc/04/54/98/731045498.db2.gz SVJCIOKRYYAZMK-JKSUJKDBSA-N 2 0 347.463 -0.128 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001034610486 731145541 /nfs/dbraw/zinc/14/55/41/731145541.db2.gz RCTSYXTUKJVFJM-SYQHCUMBSA-N 2 0 336.436 -0.097 20 0 EBADRP O=C(NC[C@@H]1CC[N@H+]1C[C@@H](O)Cn1cccn1)C12CC[NH+](CC1)C2 ZINC001038922573 731393298 /nfs/dbraw/zinc/39/32/98/731393298.db2.gz XPNAWQXDNIJLIX-LSDHHAIUSA-N 2 0 333.436 -0.470 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001039760374 731523263 /nfs/dbraw/zinc/52/32/63/731523263.db2.gz LXSXSLSJQKPJPV-YOEHRIQHSA-N 2 0 340.468 -0.642 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001039760799 731524299 /nfs/dbraw/zinc/52/42/99/731524299.db2.gz UCKHCPASUSQQQX-WMLDXEAASA-N 2 0 338.452 -0.887 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001039785354 731533182 /nfs/dbraw/zinc/53/31/82/731533182.db2.gz IJNFNAHHZDJENE-KRWDZBQOSA-N 2 0 342.484 -0.250 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001040123908 731611729 /nfs/dbraw/zinc/61/17/29/731611729.db2.gz OBJYHJUXVYQWSE-DOTOQJQBSA-N 2 0 342.484 -0.396 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001040349966 731706584 /nfs/dbraw/zinc/70/65/84/731706584.db2.gz AHGCOEQRDMKFQI-RHSMWYFYSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001061426456 738537214 /nfs/dbraw/zinc/53/72/14/738537214.db2.gz PMHFCCDZCPCSPA-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@](O)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001040900878 731910496 /nfs/dbraw/zinc/91/04/96/731910496.db2.gz BSDJVKJWTMYOQG-KRWDZBQOSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H]3CC[N@H+](CCO)[C@H]3C2)n1 ZINC001042064510 732293817 /nfs/dbraw/zinc/29/38/17/732293817.db2.gz HEIWZLQXDBIFNV-HOCLYGCPSA-N 2 0 335.452 -0.027 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)CCc2ncc[nH]2)C1 ZINC001042827226 732610777 /nfs/dbraw/zinc/61/07/77/732610777.db2.gz QIOIVQMSHJJCCX-ZDUSSCGKSA-N 2 0 349.435 -0.484 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCOC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061599421 738639830 /nfs/dbraw/zinc/63/98/30/738639830.db2.gz BHQXBDHHYUBNDO-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCOC[C@@H]2CNC(=O)C[NH+]2CCCC2)C1 ZINC001061599400 738639953 /nfs/dbraw/zinc/63/99/53/738639953.db2.gz AXDXDKBAYRYPCN-GJZGRUSLSA-N 2 0 338.452 -0.623 20 0 EBADRP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001043025762 732717154 /nfs/dbraw/zinc/71/71/54/732717154.db2.gz WYAYTZOOYXLONQ-UHFFFAOYSA-N 2 0 340.468 -0.641 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061600146 738641039 /nfs/dbraw/zinc/64/10/39/738641039.db2.gz IJFBMTJUJOTWJV-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCOC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061600738 738642360 /nfs/dbraw/zinc/64/23/60/738642360.db2.gz UDXCGDMHUWBXEO-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001043157654 732793912 /nfs/dbraw/zinc/79/39/12/732793912.db2.gz IFYZDRUWNZKLQL-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001043159438 732795185 /nfs/dbraw/zinc/79/51/85/732795185.db2.gz AOCNWFVITCMJGO-UHFFFAOYSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001061605815 738646236 /nfs/dbraw/zinc/64/62/36/738646236.db2.gz ZQHQRGYJCKEZHL-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP CC[C@H](C(=O)N1CC(O)(CNC(=O)C[N@H+](C)C(C)C)C1)[NH+](C)C ZINC001043431208 732935221 /nfs/dbraw/zinc/93/52/21/732935221.db2.gz POYOLMYXDMGWIM-CYBMUJFWSA-N 2 0 328.457 -0.644 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001043480005 732967497 /nfs/dbraw/zinc/96/74/97/732967497.db2.gz USFOFBVYYYDTEM-HNNXBMFYSA-N 2 0 342.484 -0.396 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001043529865 732994036 /nfs/dbraw/zinc/99/40/36/732994036.db2.gz AXCDPRARRPHXIC-UHFFFAOYSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC001043677323 733055063 /nfs/dbraw/zinc/05/50/63/733055063.db2.gz GQOKETAPMJZRDO-CHWSQXEVSA-N 2 0 326.441 -0.890 20 0 EBADRP CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1)[NH+](C)C ZINC001043771755 733105448 /nfs/dbraw/zinc/10/54/48/733105448.db2.gz YGBHRFUHCHSIBI-KGLIPLIRSA-N 2 0 340.468 -0.500 20 0 EBADRP CC[C@@H](C(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CC)C1)[NH+](C)C ZINC001044041116 733257907 /nfs/dbraw/zinc/25/79/07/733257907.db2.gz CMEJRYLDMXYTJG-ZDUSSCGKSA-N 2 0 328.457 -0.642 20 0 EBADRP CC[C@@H](C(=O)NCC1(O)CN(C(=O)C[NH+](CC)CC)C1)[NH+](C)C ZINC001044042028 733258979 /nfs/dbraw/zinc/25/89/79/733258979.db2.gz UEDVCVGNRBBWFS-ZDUSSCGKSA-N 2 0 328.457 -0.642 20 0 EBADRP CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1)[NH+](C)C ZINC001044291277 733360818 /nfs/dbraw/zinc/36/08/18/733360818.db2.gz PLOLODNMCCOASO-UONOGXRCSA-N 2 0 340.468 -0.786 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061741292 738732542 /nfs/dbraw/zinc/73/25/42/738732542.db2.gz QQJVCDWGEFEDJN-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001061739913 738731823 /nfs/dbraw/zinc/73/18/23/738731823.db2.gz FSIIAYXEJUQCNS-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP CC[C@H](C(=O)N1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1)[NH+](C)C ZINC001045392159 733684522 /nfs/dbraw/zinc/68/45/22/733684522.db2.gz PRHJSCNLNQTMQQ-CYBMUJFWSA-N 2 0 340.468 -0.642 20 0 EBADRP CN(C)C(=O)C[NH+]1CCC(C)(NC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001045397532 733686729 /nfs/dbraw/zinc/68/67/29/733686729.db2.gz FQVFKSGBKULROA-CYBMUJFWSA-N 2 0 326.441 -0.624 20 0 EBADRP C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001045413649 733690458 /nfs/dbraw/zinc/69/04/58/733690458.db2.gz VDSXZJXNJAVKSU-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@@H](C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1)[NH+](CC)CC ZINC001045716461 733758417 /nfs/dbraw/zinc/75/84/17/733758417.db2.gz IIXZAEJHBVCXLI-AWEZNQCLSA-N 2 0 342.484 -0.252 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045720475 733760064 /nfs/dbraw/zinc/76/00/64/733760064.db2.gz RVCRXMKYGNRPCX-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)C1 ZINC001046531943 733956479 /nfs/dbraw/zinc/95/64/79/733956479.db2.gz XSSBBPFQVQSBKE-KBPBESRZSA-N 2 0 340.468 -0.785 20 0 EBADRP Cn1[nH]c(CN2CC[C@@](C)(NC(=O)C3CC[NH+](C)CC3)C2)nc1=O ZINC001046596887 733978051 /nfs/dbraw/zinc/97/80/51/733978051.db2.gz CWGARHIEWCZLCX-MRXNPFEDSA-N 2 0 336.440 -0.469 20 0 EBADRP CC[C@H](C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1)[NH+](C)C ZINC001046676101 733997255 /nfs/dbraw/zinc/99/72/55/733997255.db2.gz BGVSHAJJOHEYJW-UONOGXRCSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2C[NH+](C)C[C@H]2C)C1 ZINC001046683597 734001638 /nfs/dbraw/zinc/00/16/38/734001638.db2.gz COJVOGWMHBLSSO-KGLIPLIRSA-N 2 0 340.468 -0.785 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@]2(C)CC[NH+](CCN3C(=O)CCC3=O)C2)C1 ZINC001046838142 734038517 /nfs/dbraw/zinc/03/85/17/734038517.db2.gz FPVZTOBSWBJLBJ-CXAGYDPISA-N 2 0 336.436 -0.332 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001061860621 738790112 /nfs/dbraw/zinc/79/01/12/738790112.db2.gz YVEWROIKRPMHHF-ZIAGYGMSSA-N 2 0 326.441 -0.624 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1C[NH+](CCc2ccnn2C)C[C@@H]1O ZINC001047527350 734239499 /nfs/dbraw/zinc/23/94/99/734239499.db2.gz DBLZRLUEISNSTN-PVAVHDDUSA-N 2 0 349.479 -0.050 20 0 EBADRP CN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001047592352 734271766 /nfs/dbraw/zinc/27/17/66/734271766.db2.gz LDYHKFRRXINSCX-IRXDYDNUSA-N 2 0 339.480 -0.006 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](C[C@H](O)Cn3cccn3)C[C@@H]2C1 ZINC001048723704 734484064 /nfs/dbraw/zinc/48/40/64/734484064.db2.gz MWWYKJYHDJFVQE-VVLHAWIVSA-N 2 0 347.463 -0.272 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@H]2C1)C1CC1 ZINC001048864134 734543494 /nfs/dbraw/zinc/54/34/94/734543494.db2.gz SFXUAMWVWXIEBB-UXLLHSPISA-N 2 0 334.464 -0.051 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1)C1CC1 ZINC001048863797 734543614 /nfs/dbraw/zinc/54/36/14/734543614.db2.gz LIOOUWHXPWONFS-KNCOVGOOSA-N 2 0 348.447 -0.478 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@@H]2C1)[NH+](C)C ZINC001048888740 734558669 /nfs/dbraw/zinc/55/86/69/734558669.db2.gz WLUPXKAQUATMIF-YYIAUSFCSA-N 2 0 349.479 -0.026 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2C1)[NH+](C)C ZINC001048888919 734558722 /nfs/dbraw/zinc/55/87/22/734558722.db2.gz BCZOWUVMHUVDAK-QLFBSQMISA-N 2 0 337.468 -0.258 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@@H]2C1)[NH+](C)C ZINC001048888739 734558817 /nfs/dbraw/zinc/55/88/17/734558817.db2.gz WLUPXKAQUATMIF-VVLHAWIVSA-N 2 0 349.479 -0.026 20 0 EBADRP O=C(N1C[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]2C1)C12CCC[NH+]1CCC2 ZINC001048917444 734570155 /nfs/dbraw/zinc/57/01/55/734570155.db2.gz GHTJUNAWIBATHE-ZNMIVQPWSA-N 2 0 332.448 -0.107 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2C1 ZINC001049059784 734630742 /nfs/dbraw/zinc/63/07/42/734630742.db2.gz GVNISCFVHAJVDX-WCVJEAGWSA-N 2 0 349.479 -0.401 20 0 EBADRP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)CC1 ZINC001049101083 734644701 /nfs/dbraw/zinc/64/47/01/734644701.db2.gz WJICJFZNYWCCKN-OWCLPIDISA-N 2 0 334.464 -0.003 20 0 EBADRP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[N@H+]([C@H]4CCNC4=O)C[C@@H]3C2)CC1 ZINC001049101085 734644843 /nfs/dbraw/zinc/64/48/43/734644843.db2.gz WJICJFZNYWCCKN-XHSDSOJGSA-N 2 0 334.464 -0.003 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001049149237 734662610 /nfs/dbraw/zinc/66/26/10/734662610.db2.gz CWKNTEXHTYMPNP-KBPBESRZSA-N 2 0 328.457 -0.690 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[NH+](CCN4CCNC4=O)C[C@@H]3C2)C1 ZINC001049171569 734674470 /nfs/dbraw/zinc/67/44/70/734674470.db2.gz OSYBAPFHCMMALB-HRCADAONSA-N 2 0 349.479 -0.256 20 0 EBADRP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001049215413 734687615 /nfs/dbraw/zinc/68/76/15/734687615.db2.gz CNCUPBQNRNJKDZ-SOUVJXGZSA-N 2 0 338.452 -0.909 20 0 EBADRP CN(C(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1)C1CC1 ZINC001049214072 734687623 /nfs/dbraw/zinc/68/76/23/734687623.db2.gz ZMHDNEDMEGNMCW-SOUVJXGZSA-N 2 0 334.464 -0.051 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001049215898 734688482 /nfs/dbraw/zinc/68/84/82/734688482.db2.gz OYYAOSYIYQNXQD-HRCADAONSA-N 2 0 325.453 -0.273 20 0 EBADRP CC[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001049428596 734727564 /nfs/dbraw/zinc/72/75/64/734727564.db2.gz LLCCITUDJBJCAK-RDBSUJKOSA-N 2 0 328.457 -0.692 20 0 EBADRP CN(C(=O)CC[NH+](C)C)[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1O ZINC001049434930 734729470 /nfs/dbraw/zinc/72/94/70/734729470.db2.gz GTFPHFKGUQQFFX-KBPBESRZSA-N 2 0 340.468 -0.690 20 0 EBADRP CN(C(=O)CC[NH+](C)C)[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1O ZINC001049435366 734729543 /nfs/dbraw/zinc/72/95/43/734729543.db2.gz LIDKBUZLEMUSMR-KBPBESRZSA-N 2 0 340.468 -0.548 20 0 EBADRP CC(C)[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001049436048 734729973 /nfs/dbraw/zinc/72/99/73/734729973.db2.gz YSNUSQDYRPOCFJ-OFQRWUPVSA-N 2 0 342.484 -0.446 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001050109813 734843768 /nfs/dbraw/zinc/84/37/68/734843768.db2.gz BEMMWNFOKBTTLN-BYNSBNAKSA-N 2 0 348.447 -0.191 20 0 EBADRP NC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC001050525203 734918697 /nfs/dbraw/zinc/91/86/97/734918697.db2.gz BNHANRAWZIKJBF-ZIAGYGMSSA-N 2 0 336.436 -0.741 20 0 EBADRP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC2(C1)CC[NH+](CCO)CC2 ZINC001050598630 734931523 /nfs/dbraw/zinc/93/15/23/734931523.db2.gz NTDKYEKPAIEGCN-CSLYMUCUSA-N 2 0 335.448 -0.234 20 0 EBADRP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC2(C1)CC[NH+](CCO)CC2 ZINC001050598631 734931540 /nfs/dbraw/zinc/93/15/40/734931540.db2.gz NTDKYEKPAIEGCN-SWKXRBFHSA-N 2 0 335.448 -0.234 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC3(C2)CC[NH+](CC(N)=O)CC3)cn1 ZINC001050695531 734945732 /nfs/dbraw/zinc/94/57/32/734945732.db2.gz HVCWCGPXKVDBBD-UHFFFAOYSA-N 2 0 348.451 -0.532 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cnns2)C1 ZINC001051493661 735196820 /nfs/dbraw/zinc/19/68/20/735196820.db2.gz PGFXTHKIMMTDNP-AAEUAGOBSA-N 2 0 325.438 -0.051 20 0 EBADRP C[C@@H](O)C[NH+]1CCN([C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001052108497 735550834 /nfs/dbraw/zinc/55/08/34/735550834.db2.gz NOXDOIIUTVRNLP-CVEARBPZSA-N 2 0 336.480 -0.319 20 0 EBADRP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001052572955 735645330 /nfs/dbraw/zinc/64/53/30/735645330.db2.gz RNAYQVYVXRBNIL-CWVKQELPSA-N 2 0 336.436 -0.694 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](CCN3CCNC3=O)CC2)C1 ZINC001052934998 735724718 /nfs/dbraw/zinc/72/47/18/735724718.db2.gz OXAJEYWFPCUTGD-LSDHHAIUSA-N 2 0 337.468 -0.066 20 0 EBADRP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1[NH2+]CCN1CCNC1=O ZINC001054734684 736236468 /nfs/dbraw/zinc/23/64/68/736236468.db2.gz CNKHXIOKAOCIIN-ZFWWWQNUSA-N 2 0 337.468 -0.068 20 0 EBADRP CC(=O)NCC[NH+]1CCC(NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001055480140 736351563 /nfs/dbraw/zinc/35/15/63/736351563.db2.gz OAUHSPFUCNMSCW-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP CO[C@@H](C)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001055534508 736373211 /nfs/dbraw/zinc/37/32/11/736373211.db2.gz JIFVXAMIFJBCES-DZGCQCFKSA-N 2 0 340.468 -0.188 20 0 EBADRP CSCC(=O)NC1CC[NH+](CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001055578598 736391410 /nfs/dbraw/zinc/39/14/10/736391410.db2.gz QOQPGNLRGXUDLY-ZDUSSCGKSA-N 2 0 342.509 -0.002 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)c3nnc[nH]3)CC2)C1 ZINC001055577874 736391522 /nfs/dbraw/zinc/39/15/22/736391522.db2.gz DEPGIUJGKPZXJG-GFCCVEGCSA-N 2 0 349.439 -0.933 20 0 EBADRP CCOCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055577799 736391613 /nfs/dbraw/zinc/39/16/13/736391613.db2.gz BALNFNCQHCBBSX-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP COCC(=O)NC1CC[NH+](CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001055602150 736401907 /nfs/dbraw/zinc/40/19/07/736401907.db2.gz RFFMYHHXAXULRV-UHFFFAOYSA-N 2 0 338.452 -0.575 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH+]1CCC(NC(=O)COC)CC1 ZINC001055606558 736402524 /nfs/dbraw/zinc/40/25/24/736402524.db2.gz HZTBKVPLTVUJIH-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP COCC(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001055644819 736419304 /nfs/dbraw/zinc/41/93/04/736419304.db2.gz FVSUYUQKYUURTB-ZFWWWQNUSA-N 2 0 340.468 -0.473 20 0 EBADRP COCC(=O)NC1CC[NH+](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001055645351 736419316 /nfs/dbraw/zinc/41/93/16/736419316.db2.gz UKRNSZDLQRVRSR-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001055838977 736512392 /nfs/dbraw/zinc/51/23/92/736512392.db2.gz XTATXUUQNAFTPJ-RHSMWYFYSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[C@H](C(=O)N[C@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001055995345 736585353 /nfs/dbraw/zinc/58/53/53/736585353.db2.gz PSUOKBMZCZNXTF-RHSMWYFYSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[NH+]1C ZINC001057212009 737083989 /nfs/dbraw/zinc/08/39/89/737083989.db2.gz HUKNQCYLJBRBIB-AWEZNQCLSA-N 2 0 328.457 -0.641 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001057212365 737084415 /nfs/dbraw/zinc/08/44/15/737084415.db2.gz MURQFZVJYGELGT-GJZGRUSLSA-N 2 0 340.468 -0.642 20 0 EBADRP C[NH+](C)CC1(C(=O)NCCN(CCO)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001057212536 737085008 /nfs/dbraw/zinc/08/50/08/737085008.db2.gz OUYRJACMJHDFIR-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP C[N@H+](CC(=O)NCCN(CCO)C(=O)[C@H]1CC[NH+](C)C1)C1CCC1 ZINC001057636433 737376342 /nfs/dbraw/zinc/37/63/42/737376342.db2.gz RLERVLYFWDCHRJ-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)C1 ZINC001057640764 737381802 /nfs/dbraw/zinc/38/18/02/737381802.db2.gz OTLYNVNQHDGJHL-HNNXBMFYSA-N 2 0 340.468 -0.639 20 0 EBADRP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001057659422 737396787 /nfs/dbraw/zinc/39/67/87/737396787.db2.gz OYLHUHKKPUKKSB-OAHLLOKOSA-N 2 0 342.484 -0.393 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N(CCO)CCNC(=O)CC[NH+](C)C)CC[N@@H+]1C ZINC001057745837 737429368 /nfs/dbraw/zinc/42/93/68/737429368.db2.gz CIDDERDAXQZUHY-LSDHHAIUSA-N 2 0 342.484 -0.395 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(CCO)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001057864370 737485722 /nfs/dbraw/zinc/48/57/22/737485722.db2.gz OXPTVBDYAPPNCD-OAHLLOKOSA-N 2 0 342.484 -0.395 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001057882144 737502077 /nfs/dbraw/zinc/50/20/77/737502077.db2.gz DJAPYDKCBILUQN-INIZCTEOSA-N 2 0 344.500 -0.149 20 0 EBADRP CC(C)[C@@H](C(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1)[NH+](C)C ZINC001057883551 737503900 /nfs/dbraw/zinc/50/39/00/737503900.db2.gz NPOZBIPNLZTFOQ-INIZCTEOSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[C@H](C(=O)NCCN(CCO)C(=O)C(C)(C)[N@H+](C)CC)[NH+](C)C ZINC001057942714 737547048 /nfs/dbraw/zinc/54/70/48/737547048.db2.gz RAOBEKJFZXNQLQ-CQSZACIVSA-N 2 0 344.500 -0.006 20 0 EBADRP CC[C@H](C(=O)N(CCO)CCNC(=O)C[N@H+](C)C(C)C)[NH+](C)C ZINC001057975148 737572162 /nfs/dbraw/zinc/57/21/62/737572162.db2.gz IOPNAYKCJKLVFD-CQSZACIVSA-N 2 0 330.473 -0.396 20 0 EBADRP CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC001057975547 737573068 /nfs/dbraw/zinc/57/30/68/737573068.db2.gz VZNHGYLOIPGQRG-HUUCEWRRSA-N 2 0 344.500 -0.150 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1CCCC[NH+]1C ZINC001058039274 737601702 /nfs/dbraw/zinc/60/17/02/737601702.db2.gz VFKHTWVODHODIH-OAHLLOKOSA-N 2 0 342.484 -0.252 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CCCC[NH+]1C ZINC001058040712 737602875 /nfs/dbraw/zinc/60/28/75/737602875.db2.gz YDUQSXZOKPWQAT-LSDHHAIUSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCCCC(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001058236675 737726655 /nfs/dbraw/zinc/72/66/55/737726655.db2.gz BORXRNHALHUUTP-UHFFFAOYSA-N 2 0 330.473 -0.393 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001058253944 737736205 /nfs/dbraw/zinc/73/62/05/737736205.db2.gz OKKPOSYBYRAKNU-AWEZNQCLSA-N 2 0 330.473 -0.395 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058607590 737920206 /nfs/dbraw/zinc/92/02/06/737920206.db2.gz HKMCCVXKRVGQER-UHFFFAOYSA-N 2 0 330.473 -0.395 20 0 EBADRP CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)C1CC[NH+](C)CC1 ZINC001058816100 738003160 /nfs/dbraw/zinc/00/31/60/738003160.db2.gz IVZHBDDARRYQOM-UHFFFAOYSA-N 2 0 342.484 -0.393 20 0 EBADRP CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC001058816273 738003930 /nfs/dbraw/zinc/00/39/30/738003930.db2.gz QBYGDNSSFDWXMI-GJZGRUSLSA-N 2 0 342.484 -0.537 20 0 EBADRP CC[C@H](C(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@H]1C)[NH+](C)C ZINC001058843986 738022796 /nfs/dbraw/zinc/02/27/96/738022796.db2.gz QBNBVZIVAQVFAA-HUUCEWRRSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001058844258 738023881 /nfs/dbraw/zinc/02/38/81/738023881.db2.gz YFPQHFMRISRJJU-HNNXBMFYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)C[NH+]2CCCC2)C1 ZINC001058846594 738027209 /nfs/dbraw/zinc/02/72/09/738027209.db2.gz AKQJUGQLDYWMNK-OAHLLOKOSA-N 2 0 340.468 -0.639 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)CC[NH+](C)C)C1 ZINC001058848003 738030652 /nfs/dbraw/zinc/03/06/52/738030652.db2.gz ZEJGBDOQEUMBOM-AWEZNQCLSA-N 2 0 328.457 -0.783 20 0 EBADRP C[NH+](C)CCC(=O)NCCN(CCO)C(=O)C[N@H+](C)CC(C)(C)C ZINC001058850155 738033433 /nfs/dbraw/zinc/03/34/33/738033433.db2.gz FQRWQJPNGRHDBI-UHFFFAOYSA-N 2 0 344.500 -0.147 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)CCO1 ZINC001064978374 739456924 /nfs/dbraw/zinc/45/69/24/739456924.db2.gz RDCMQIBBTKJKLT-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065171697 739577162 /nfs/dbraw/zinc/57/71/62/739577162.db2.gz KFEMAJZBUCMIAT-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001065172157 739578526 /nfs/dbraw/zinc/57/85/26/739578526.db2.gz TWIABADVYSWWEL-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001065177472 739581632 /nfs/dbraw/zinc/58/16/32/739581632.db2.gz GEWJGVLIZILJCM-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCO[C@H](CNC(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001065206300 739593054 /nfs/dbraw/zinc/59/30/54/739593054.db2.gz JZBUTECLAOXGHH-RBSFLKMASA-N 2 0 340.468 -0.378 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001065270818 739624533 /nfs/dbraw/zinc/62/45/33/739624533.db2.gz DPDFHJRBCFBSOS-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001065302521 739637456 /nfs/dbraw/zinc/63/74/56/739637456.db2.gz YHFDGTLIULFMCZ-HNNXBMFYSA-N 2 0 340.468 -0.377 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001065409210 739693464 /nfs/dbraw/zinc/69/34/64/739693464.db2.gz INCOUWUQOZPMAR-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001065576332 739772688 /nfs/dbraw/zinc/77/26/88/739772688.db2.gz PERGGCZDMFEROD-KGLIPLIRSA-N 2 0 326.441 -0.767 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065576963 739772720 /nfs/dbraw/zinc/77/27/20/739772720.db2.gz YXPUATXLRGCWIQ-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001065614826 739802985 /nfs/dbraw/zinc/80/29/85/739802985.db2.gz YQAFEMPPABJMBP-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCOC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001068399850 740312012 /nfs/dbraw/zinc/31/20/12/740312012.db2.gz RFMRRAJADZWYCM-UHFFFAOYSA-N 2 0 340.468 -0.280 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC2(C1)C[C@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069013586 740523254 /nfs/dbraw/zinc/52/32/54/740523254.db2.gz PUJGFQBZVOABLC-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(N2CC[C@H]([NH2+]CCO)C2)n1 ZINC001069838304 740585344 /nfs/dbraw/zinc/58/53/44/740585344.db2.gz SOHYASGJGWPPSQ-HOTGVXAUSA-N 2 0 347.463 -0.047 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCc2cccc(N3CC[C@@H]([NH2+]CCO)C3)n2)C1 ZINC001069841083 740586790 /nfs/dbraw/zinc/58/67/90/740586790.db2.gz ZYROFOCFBRVZED-GOEBONIOSA-N 2 0 347.463 -0.190 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCc2cccc(N3CC[C@@H]([NH2+]CCO)C3)n2)C1 ZINC001069841082 740586825 /nfs/dbraw/zinc/58/68/25/740586825.db2.gz ZYROFOCFBRVZED-GDBMZVCRSA-N 2 0 347.463 -0.190 20 0 EBADRP C[NH+](C)CCC(=O)NCC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001070041791 740670786 /nfs/dbraw/zinc/67/07/86/740670786.db2.gz OQQXSGWRHUYCFU-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001070077393 740685791 /nfs/dbraw/zinc/68/57/91/740685791.db2.gz DPRLZVSAOXRYOF-KFWWJZLASA-N 2 0 348.451 -0.250 20 0 EBADRP C[NH+]1CCC(CC(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)CC1 ZINC001070288286 740778951 /nfs/dbraw/zinc/77/89/51/740778951.db2.gz JMIBRARZZXJBBN-CABCVRRESA-N 2 0 336.440 -0.656 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001071015305 741038315 /nfs/dbraw/zinc/03/83/15/741038315.db2.gz YGDYBYBVGLAGBC-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001071016923 741040261 /nfs/dbraw/zinc/04/02/61/741040261.db2.gz XUIWHVFBOWRGKI-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](C[C@@H](O)Cn1cccn1)C2 ZINC001072544659 741427179 /nfs/dbraw/zinc/42/71/79/741427179.db2.gz STMVTEZECUXKEN-HZPDHXFCSA-N 2 0 347.463 -0.128 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCN1CCNC1=O)C2 ZINC001072553690 741428485 /nfs/dbraw/zinc/42/84/85/741428485.db2.gz HJCPAOZMGPHNGQ-AWEZNQCLSA-N 2 0 335.452 -0.360 20 0 EBADRP C[NH+](C)C1(C(=O)N2CC3(C2)CC[N@@H+]([C@H]2CCC(=O)NC2=O)C3)CCC1 ZINC001072812163 741492227 /nfs/dbraw/zinc/49/22/27/741492227.db2.gz USBZLWOFVKMLFE-ZDUSSCGKSA-N 2 0 348.447 -0.190 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCN1CCNC1=O)C2 ZINC001072981241 741533726 /nfs/dbraw/zinc/53/37/26/741533726.db2.gz BKURXPPYKNRLBC-CABCVRRESA-N 2 0 349.479 -0.256 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC2(C1)CC[NH+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001072981965 741534428 /nfs/dbraw/zinc/53/44/28/741534428.db2.gz WXUJMBKEYIKBJZ-UONOGXRCSA-N 2 0 348.447 -0.190 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC2(C1)CC[N@H+](CCN1C(=O)CNC1=O)C2 ZINC001073430235 741612432 /nfs/dbraw/zinc/61/24/32/741612432.db2.gz ASTQCEJBLJHARY-UHFFFAOYSA-N 2 0 349.435 -0.832 20 0 EBADRP C[C@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001073433533 741613342 /nfs/dbraw/zinc/61/33/42/741613342.db2.gz BEIPRLYPXSFFJD-GJZGRUSLSA-N 2 0 325.453 -0.130 20 0 EBADRP O=C(NC[C@H]1C[N@H+](CCn2cncn2)CCCO1)C12CC[NH+](CC1)C2 ZINC001073861547 741768093 /nfs/dbraw/zinc/76/80/93/741768093.db2.gz FELIXKNWQDNCTQ-HNNXBMFYSA-N 2 0 348.451 -0.419 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[NH+](CCn3cncn3)CCCO2)C1 ZINC001073891932 741776917 /nfs/dbraw/zinc/77/69/17/741776917.db2.gz VRZHBBMZJKQLPG-GJZGRUSLSA-N 2 0 336.440 -0.563 20 0 EBADRP CC[C@H](C(=O)N1CCC(O)(CNC(=O)CC[NH+](C)C)CC1)[NH+](C)C ZINC001074630170 742032607 /nfs/dbraw/zinc/03/26/07/742032607.db2.gz DHJXKNCVOVXADJ-CQSZACIVSA-N 2 0 342.484 -0.252 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001074713179 742083737 /nfs/dbraw/zinc/08/37/37/742083737.db2.gz LVUPSTJDIPWDQR-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP O=C(N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077418746 742965174 /nfs/dbraw/zinc/96/51/74/742965174.db2.gz ZASTUPWGTAELAJ-YLADIXGZSA-N 2 0 335.448 -0.189 20 0 EBADRP Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001078356302 743602219 /nfs/dbraw/zinc/60/22/19/743602219.db2.gz HLLIPLSOFVPQCK-HUUCEWRRSA-N 2 0 336.440 -0.384 20 0 EBADRP C[N@H+](CC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1)C1CCC1 ZINC001078412363 743637547 /nfs/dbraw/zinc/63/75/47/743637547.db2.gz YRSYVWYEPTUYCP-HUUCEWRRSA-N 2 0 338.452 -0.434 20 0 EBADRP Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001078507302 743684656 /nfs/dbraw/zinc/68/46/56/743684656.db2.gz ABDQSBJLVFAQTM-OAHLLOKOSA-N 2 0 336.440 -0.382 20 0 EBADRP Cn1nnnc1C[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001078784023 743734058 /nfs/dbraw/zinc/73/40/58/743734058.db2.gz QCNBMMSETCLLRJ-QWHCGFSZSA-N 2 0 345.451 -0.177 20 0 EBADRP Cn1nnnc1C[NH2+][C@@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001078811961 743737838 /nfs/dbraw/zinc/73/78/38/743737838.db2.gz BWONEHFZZIISMY-CHWSQXEVSA-N 2 0 333.440 -0.177 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CCC[C@H]([NH2+]CC(N)=O)C2)n1 ZINC000981095208 806083666 /nfs/dbraw/zinc/08/36/66/806083666.db2.gz UPCQGZQWTXWOHQ-QWHCGFSZSA-N 2 0 336.440 -0.439 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@]3(C)C[NH+]([C@H]4CCNC4=O)C[C@]3(C)C2)C1 ZINC000982798315 806712630 /nfs/dbraw/zinc/71/26/30/806712630.db2.gz MYNNIAPNGIHEBL-NONVJHHQSA-N 2 0 334.464 -0.003 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@]3(C)C[NH+]([C@@H]4CCNC4=O)C[C@]3(C)C2)C1 ZINC000982798304 806712803 /nfs/dbraw/zinc/71/28/03/806712803.db2.gz MYNNIAPNGIHEBL-DTDBQYNISA-N 2 0 334.464 -0.003 20 0 EBADRP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000976861399 803913780 /nfs/dbraw/zinc/91/37/80/803913780.db2.gz JXZLIQUFCGAFLQ-DEQQHWRFSA-N 2 0 334.464 -0.005 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000976864021 803916148 /nfs/dbraw/zinc/91/61/48/803916148.db2.gz JQIKISAHHIVUKF-LJISPDSOSA-N 2 0 332.448 -0.251 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]32)C1 ZINC000976867738 803920822 /nfs/dbraw/zinc/92/08/22/803920822.db2.gz MBHACWBJHWBYQR-BSXFFOKHSA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC000977201411 804211673 /nfs/dbraw/zinc/21/16/73/804211673.db2.gz HPFHQZAMGLJIHB-NBFUAULTSA-N 2 0 334.464 -0.147 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)N4CCC4)C[C@H]32)CC[N@@H+]1C ZINC000978175679 804706107 /nfs/dbraw/zinc/70/61/07/804706107.db2.gz FUYJOFPOFMBFDE-QCODTGAPSA-N 2 0 334.464 -0.147 20 0 EBADRP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000978959984 805064469 /nfs/dbraw/zinc/06/44/69/805064469.db2.gz MGKSZBFVWYOWTK-ZQDZILKHSA-N 2 0 334.464 -0.147 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)N4CCCC4)C[C@H]32)C1 ZINC000979068332 805118388 /nfs/dbraw/zinc/11/83/88/805118388.db2.gz HWJQTGZRRKXDOR-YHUYYLMFSA-N 2 0 334.464 -0.146 20 0 EBADRP CCN1CCO[C@@H](C(=O)NC[C@@H]2[C@H]3CN(Cc4ncccn4)C[C@H]32)C1 ZINC000979069974 805120165 /nfs/dbraw/zinc/12/01/65/805120165.db2.gz FZWBJLUWKMOIEJ-LVQVYYBASA-N 2 0 345.447 -0.009 20 0 EBADRP Cn1ncc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)n1 ZINC000983717104 807086520 /nfs/dbraw/zinc/08/65/20/807086520.db2.gz VJABXUIALUSGFG-SDADXPQNSA-N 2 0 348.451 -0.337 20 0 EBADRP Cc1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)[nH]1 ZINC000983717196 807088095 /nfs/dbraw/zinc/08/80/95/807088095.db2.gz YXVAUKBNADLKJU-ZQDZILKHSA-N 2 0 348.451 -0.039 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000984201971 807213885 /nfs/dbraw/zinc/21/38/85/807213885.db2.gz DRYDHLPURTXOGA-JOCQHMNTSA-N 2 0 333.440 -0.177 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC000984802489 807391379 /nfs/dbraw/zinc/39/13/79/807391379.db2.gz BEPJHYXMURASIV-AAVRWANBSA-N 2 0 336.436 -0.382 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCNC3=O)C2)cn1 ZINC000984912769 807410415 /nfs/dbraw/zinc/41/04/15/807410415.db2.gz YMMDPAFPFXWDMG-BPLDGKMQSA-N 2 0 348.451 -0.569 20 0 EBADRP CC1CC[NH+](CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnnn3C)C2)CC1 ZINC000984954119 807418176 /nfs/dbraw/zinc/41/81/76/807418176.db2.gz XSYWUQRDCGRNAX-HDJSIYSDSA-N 2 0 335.456 -0.074 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)nc1=O ZINC000985032416 807429354 /nfs/dbraw/zinc/42/93/54/807429354.db2.gz UBKVULDDTZCBJH-AVGNSLFASA-N 2 0 336.440 -0.565 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC000985035092 807430751 /nfs/dbraw/zinc/43/07/51/807430751.db2.gz RLBHYNLSWZIUAD-XUXIUFHCSA-N 2 0 336.436 -0.382 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000985120206 807449209 /nfs/dbraw/zinc/44/92/09/807449209.db2.gz POONEMQFVWDNHH-AJNGGQMLSA-N 2 0 343.493 -0.143 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC([N@H+](C)[C@H](C)C(N)=O)CC1 ZINC000985786411 807582519 /nfs/dbraw/zinc/58/25/19/807582519.db2.gz BUMHGMFNWMBZII-ZIAGYGMSSA-N 2 0 340.468 -0.249 20 0 EBADRP C[C@@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986831854 807784796 /nfs/dbraw/zinc/78/47/96/807784796.db2.gz WGPOMZRTMMHGOV-YPMHNXCESA-N 2 0 336.440 -0.471 20 0 EBADRP C[C@@H]1[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987359050 807900289 /nfs/dbraw/zinc/90/02/89/807900289.db2.gz LXXLQIHAHSXJBN-KGLIPLIRSA-N 2 0 335.452 -0.314 20 0 EBADRP C[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989684779 808556689 /nfs/dbraw/zinc/55/66/89/808556689.db2.gz XAOXFMOPKKXMLP-KBPBESRZSA-N 2 0 335.452 -0.314 20 0 EBADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2CCC[N@H+](CCn3cncn3)C2)O1 ZINC001007624292 809952754 /nfs/dbraw/zinc/95/27/54/809952754.db2.gz MILSXTHAWRJDIJ-QLFBSQMISA-N 2 0 336.440 -0.422 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001214662090 810270247 /nfs/dbraw/zinc/27/02/47/810270247.db2.gz TZSQVZPSUTUTDY-AAVRWANBSA-N 2 0 331.482 -0.192 20 0 EBADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214861589 810286211 /nfs/dbraw/zinc/28/62/11/810286211.db2.gz YPFFKBPBVBCCNC-TZMCWYRMSA-N 2 0 346.497 -0.544 20 0 EBADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214847834 810286371 /nfs/dbraw/zinc/28/63/71/810286371.db2.gz UYYGFDBXNATCMP-CHWSQXEVSA-N 2 0 346.497 -0.544 20 0 EBADRP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001214888976 810288442 /nfs/dbraw/zinc/28/84/42/810288442.db2.gz FGBMVJQUBNANOQ-JHJVBQTASA-N 2 0 339.440 -0.508 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001214969177 810295265 /nfs/dbraw/zinc/29/52/65/810295265.db2.gz JZCJAWNQSNHIBV-JHJVBQTASA-N 2 0 339.440 -0.637 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001214997309 810298383 /nfs/dbraw/zinc/29/83/83/810298383.db2.gz HROOKFDLWVFLAH-GHMZBOCLSA-N 2 0 327.429 -0.652 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215421373 810327328 /nfs/dbraw/zinc/32/73/28/810327328.db2.gz DBAFADSMTWORIV-HUUCEWRRSA-N 2 0 342.484 -0.083 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001215540981 810335245 /nfs/dbraw/zinc/33/52/45/810335245.db2.gz TXSQWAXRJVIRSH-JHJVBQTASA-N 2 0 339.440 -0.780 20 0 EBADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001216458925 810374880 /nfs/dbraw/zinc/37/48/80/810374880.db2.gz IFJXDUBBQVIDAX-ZIAGYGMSSA-N 2 0 348.513 -0.296 20 0 EBADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1C[NH2+]C[C@@H]1F ZINC001218000358 810471770 /nfs/dbraw/zinc/47/17/70/810471770.db2.gz WHZLRLGRHSLDFM-JGVFFNPUSA-N 2 0 328.344 -0.551 20 0 EBADRP CN(C)C(=O)[C@@H]([NH3+])Cc1ccc(O)c(OC[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001218086731 810477086 /nfs/dbraw/zinc/47/70/86/810477086.db2.gz UELTYQGSRXNWSY-QDEZUTFSSA-N 2 0 349.431 -0.037 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218551016 810501015 /nfs/dbraw/zinc/50/10/15/810501015.db2.gz ZPSHRZUIYGBKJO-SOUVJXGZSA-N 2 0 329.441 -0.753 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1cncnc1Br ZINC001218569719 810504392 /nfs/dbraw/zinc/50/43/92/810504392.db2.gz AORIBMBKPRNGNN-SECBINFHSA-N 2 0 343.229 -0.072 20 0 EBADRP CCOC(=O)c1ccncc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218570972 810505735 /nfs/dbraw/zinc/50/57/35/810505735.db2.gz CMOBJIDSZHQZAT-CYBMUJFWSA-N 2 0 335.408 -0.053 20 0 EBADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001218639696 810515304 /nfs/dbraw/zinc/51/53/04/810515304.db2.gz ATIYSLVIRLVPMY-UHFFFAOYSA-N 2 0 328.380 -0.521 20 0 EBADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)Nc2cnn(C3C[NH2+]C3)c2)cc1 ZINC001218640244 810515832 /nfs/dbraw/zinc/51/58/32/810515832.db2.gz GTFUYWABWAVSCE-AWEZNQCLSA-N 2 0 328.376 -0.365 20 0 EBADRP CC1(C)COc2cc(NC(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)nn2C1 ZINC001218746321 810526998 /nfs/dbraw/zinc/52/69/98/810526998.db2.gz HTVNZHMJIREBRJ-GFCCVEGCSA-N 2 0 336.440 -0.009 20 0 EBADRP CCOc1cc(C(N)=O)ccc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218816206 810534400 /nfs/dbraw/zinc/53/44/00/810534400.db2.gz OZRYPKYAFUYMBZ-CYBMUJFWSA-N 2 0 349.435 -0.127 20 0 EBADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218879430 810538715 /nfs/dbraw/zinc/53/87/15/810538715.db2.gz DCXNXVLAWUHKFR-CQSZACIVSA-N 3 0 343.431 -0.521 20 0 EBADRP NC1(C(=O)Nc2ccccc2C(=O)N2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001218879939 810539284 /nfs/dbraw/zinc/53/92/84/810539284.db2.gz MWGYRJRSWWYKRA-UHFFFAOYSA-N 2 0 331.420 -0.249 20 0 EBADRP Nc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218914483 810544406 /nfs/dbraw/zinc/54/44/06/810544406.db2.gz XHJMLULHWUYNDG-LBPRGKRZSA-N 2 0 327.410 -0.818 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc2[nH]c(CO)nc2c1 ZINC001218956659 810548189 /nfs/dbraw/zinc/54/81/89/810548189.db2.gz IREMCESRFZRSML-GFCCVEGCSA-N 2 0 332.408 -0.256 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC001219028079 810557196 /nfs/dbraw/zinc/55/71/96/810557196.db2.gz ONDUHEWANUZGPD-UHFFFAOYSA-N 2 0 342.421 -0.673 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)C1 ZINC001015999924 810648649 /nfs/dbraw/zinc/64/86/49/810648649.db2.gz XXXZMLGQPKBNBS-OLZOCXBDSA-N 2 0 337.424 -0.930 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC001016251743 810713070 /nfs/dbraw/zinc/71/30/70/810713070.db2.gz NMEULWYUPDVJEE-ZDUSSCGKSA-N 2 0 337.424 -0.785 20 0 EBADRP C[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCNC(=O)c2cnccn2)C[NH2+]1 ZINC001219582854 810759593 /nfs/dbraw/zinc/75/95/93/810759593.db2.gz LUNGXTDNRKYHGQ-AVGNSLFASA-N 2 0 334.424 -0.429 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CC(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219621994 810774732 /nfs/dbraw/zinc/77/47/32/810774732.db2.gz LZZZQBDOAFSVRD-QBYUYEEZSA-N 2 0 339.411 -0.514 20 0 EBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1cccc(N2CC[NH2+]CC2)c1 ZINC001219626099 810778406 /nfs/dbraw/zinc/77/84/06/810778406.db2.gz NFSHOYSJWQIIKR-DOTOQJQBSA-N 2 0 336.411 -0.112 20 0 EBADRP COCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643305 810784700 /nfs/dbraw/zinc/78/47/00/810784700.db2.gz OCNSFMKJJFYCHY-OAGGEKHMSA-N 2 0 325.453 -0.084 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219714616 810805351 /nfs/dbraw/zinc/80/53/51/810805351.db2.gz QTFQKNLGWJAPHA-IGQOVBAYSA-N 2 0 328.457 -0.660 20 0 EBADRP CS(=O)(=O)c1ccc(CNC(=O)C[C@@H]([NH3+])CCCC[NH3+])nc1 ZINC001219716225 810805499 /nfs/dbraw/zinc/80/54/99/810805499.db2.gz GNKDCDYELHASSK-NSHDSACASA-N 2 0 328.438 -0.052 20 0 EBADRP [NH3+][C@@H](CCCCNC(=O)c1ccccn1)C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720931 810807544 /nfs/dbraw/zinc/80/75/44/810807544.db2.gz WDBCZBBLRICMFQ-SGMGOOAPSA-N 2 0 335.408 -0.849 20 0 EBADRP [NH3+]C[C@H](O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726145 810810670 /nfs/dbraw/zinc/81/06/70/810810670.db2.gz ILBOYDPXTRDLFA-IRXDYDNUSA-N 3 0 346.475 -0.076 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744000 810820382 /nfs/dbraw/zinc/82/03/82/810820382.db2.gz QKXPKJDVUMYWQD-KGLIPLIRSA-N 2 0 340.468 -0.107 20 0 EBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC001219748816 810823176 /nfs/dbraw/zinc/82/31/76/810823176.db2.gz DBOPIPIRYVVXSY-RKDXNWHRSA-N 2 0 332.330 -0.215 20 0 EBADRP CC(C)(C)[N@@H+]1CCN[C@@H](C(=O)NCc2nnc3n2CCC[NH2+]C3)C1 ZINC001219749357 810823494 /nfs/dbraw/zinc/82/34/94/810823494.db2.gz LRVWZWLKCZFWAZ-GFCCVEGCSA-N 2 0 335.456 -0.540 20 0 EBADRP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@H]2C[C@H]3CNCC[N@@H+]3C2)c1 ZINC001219765759 810832368 /nfs/dbraw/zinc/83/23/68/810832368.db2.gz AHMISEWMYWBLEZ-VYDXJSESSA-N 2 0 332.448 -0.025 20 0 EBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219803217 810849934 /nfs/dbraw/zinc/84/99/34/810849934.db2.gz NUEQXAASXXHIGP-KGLIPLIRSA-N 2 0 326.441 -0.495 20 0 EBADRP O=C(NCc1noc2c1C[NH2+]CC2)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001219811656 810855298 /nfs/dbraw/zinc/85/52/98/810855298.db2.gz YDDYTMNTQCUYHQ-JSGCOSHPSA-N 2 0 347.419 -0.321 20 0 EBADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)c1csc(N2CC[NH2+]CC2)n1 ZINC001219833452 810868896 /nfs/dbraw/zinc/86/88/96/810868896.db2.gz DMTRFDMKLJCIQG-WZRBSPASSA-N 2 0 337.449 -0.341 20 0 EBADRP [NH3+][C@H](C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)C1CCC(O)CC1 ZINC001219839149 810872183 /nfs/dbraw/zinc/87/21/83/810872183.db2.gz XUQYOZJZTYGRJS-KAVNZZFMSA-N 2 0 341.452 -0.624 20 0 EBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1ccc2c(n1)CC[NH2+]C2 ZINC001219843842 810875107 /nfs/dbraw/zinc/87/51/07/810875107.db2.gz DPTAALXWLGXADW-ACJLOTCBSA-N 2 0 346.431 -0.148 20 0 EBADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)cc1 ZINC001219847518 810878064 /nfs/dbraw/zinc/87/80/64/810878064.db2.gz JQTKRZOANZHUEQ-ZQDZILKHSA-N 2 0 332.404 -0.709 20 0 EBADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)OC2(CC[NH2+]CC2)C1 ZINC001219847456 810878562 /nfs/dbraw/zinc/87/85/62/810878562.db2.gz HYHVVIDRNDQSKD-BYNSBNAKSA-N 3 0 338.452 -0.925 20 0 EBADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)c1cccc(CN2CC[NH2+]CC2)c1 ZINC001219856742 810881316 /nfs/dbraw/zinc/88/13/16/810881316.db2.gz ZFAUYXSHFJUVEG-IXDOHACOSA-N 2 0 330.432 -0.192 20 0 EBADRP CC(C)([NH3+])[C@H](NCc1ccccc1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854019 810881323 /nfs/dbraw/zinc/88/13/23/810881323.db2.gz BILFTQSCUIWWOT-QKPAOTATSA-N 2 0 332.448 -0.015 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN([C@H](C)C(=O)N(C)C)C[C@@H]1O ZINC001219902378 810902809 /nfs/dbraw/zinc/90/28/09/810902809.db2.gz ADGOLRXMFKZEOP-UPJWGTAASA-N 2 0 328.457 -0.645 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CCc2ccnn2C)C[C@@H]1O ZINC001219902755 810903108 /nfs/dbraw/zinc/90/31/08/810903108.db2.gz JEEYDYGWMRXWRR-CABCVRRESA-N 2 0 337.468 -0.146 20 0 EBADRP O=C(NCC1(N2CCOCC2)CCCCC1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219938693 810916574 /nfs/dbraw/zinc/91/65/74/810916574.db2.gz AGIYCGSOSVIQNT-OAHLLOKOSA-N 2 0 336.480 -0.053 20 0 EBADRP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)NC1(C(=O)OC)CC[NH2+]CC1 ZINC001220001392 810941354 /nfs/dbraw/zinc/94/13/54/810941354.db2.gz QJHIMHDXVBASNT-NSHDSACASA-N 2 0 343.424 -0.282 20 0 EBADRP COC(=O)C1(NC(=O)[C@H](CCCC[NH3+])NC(C)=O)CC[NH2+]CC1 ZINC001220001360 810942255 /nfs/dbraw/zinc/94/22/55/810942255.db2.gz PXLGHSFTMYTPKG-LBPRGKRZSA-N 2 0 328.413 -0.969 20 0 EBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001220020179 810950569 /nfs/dbraw/zinc/95/05/69/810950569.db2.gz ACQBOYVGHNZMCD-CQSZACIVSA-N 2 0 349.435 -0.481 20 0 EBADRP [NH3+]CC1(N(Cc2ccccc2)C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)COC1 ZINC001220020617 810951889 /nfs/dbraw/zinc/95/18/89/810951889.db2.gz PJLTZRNFXYHGPJ-HRCADAONSA-N 2 0 330.432 -0.307 20 0 EBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001220022225 810952204 /nfs/dbraw/zinc/95/22/04/810952204.db2.gz CHLKFRQLWDOTEE-LFVRLGFBSA-N 2 0 339.461 -0.161 20 0 EBADRP CC(C)(C)OC(=O)C1(NC(=O)[C@H]2[NH2+]CC[C@@H]2O)CCC([NH3+])CC1 ZINC001220039532 810957087 /nfs/dbraw/zinc/95/70/87/810957087.db2.gz IRSXPEOSCDIZKJ-SLMGRZLQSA-N 2 0 327.425 -0.193 20 0 EBADRP CC(C)(C)OC(=O)C1(NC(=O)[C@H]2C[NH2+]CCN2)CCC([NH3+])CC1 ZINC001220039632 810957508 /nfs/dbraw/zinc/95/75/08/810957508.db2.gz MKWKQDRZZCZMOX-BWBHSNQOSA-N 2 0 326.441 -0.354 20 0 EBADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001220062418 810965705 /nfs/dbraw/zinc/96/57/05/810965705.db2.gz XMUVSRJPRMVVFW-CYBMUJFWSA-N 2 0 334.486 -0.413 20 0 EBADRP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)[C@H]2C[NH2+]CCN2)c1 ZINC001220120572 810990613 /nfs/dbraw/zinc/99/06/13/810990613.db2.gz HXOVMVAWGBFQQR-GFCCVEGCSA-N 2 0 333.392 -0.040 20 0 EBADRP [NH3+][C@H](C(=O)NCCCCCCN1C(=O)C=CC1=O)C1CC[NH2+]CC1 ZINC001220127411 810992770 /nfs/dbraw/zinc/99/27/70/810992770.db2.gz UHFIPJYEUMZDMS-INIZCTEOSA-N 2 0 336.436 -0.085 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)[C@H](C)OC1 ZINC001220139483 810998054 /nfs/dbraw/zinc/99/80/54/810998054.db2.gz SNKRITRDXKAFGP-GWCFXTLKSA-N 2 0 340.424 -0.911 20 0 EBADRP C[N@@H+]1C[C@H](C(=O)NC[C@H]2CCNCC2(F)F)OC2(CC[NH2+]CC2)C1 ZINC001220186591 811009205 /nfs/dbraw/zinc/00/92/05/811009205.db2.gz SCHAUPDFTDKLEA-CHWSQXEVSA-N 2 0 346.422 -0.200 20 0 EBADRP COC(=O)[C@@]1(NC(=O)C[C@@H](O)C[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC001220225268 811023152 /nfs/dbraw/zinc/02/31/52/811023152.db2.gz FSCMQUBKPARSOE-RHSMWYFYSA-N 2 0 335.404 -0.370 20 0 EBADRP COC(=O)[C@@]1(NC(=O)[C@H]2C[NH2+]CCN2)CC[N@H+](Cc2ccccc2)C1 ZINC001220228481 811025427 /nfs/dbraw/zinc/02/54/27/811025427.db2.gz ODTGZRUVIKBJJG-CRAIPNDOSA-N 2 0 346.431 -0.518 20 0 EBADRP COC(=O)[C@@]1(NC(=O)[C@H]2C[NH2+]C[C@@H]2N)CC[N@H+](Cc2ccccc2)C1 ZINC001220228735 811025510 /nfs/dbraw/zinc/02/55/10/811025510.db2.gz WAFQPYJYCGFOMF-RLFYNMQTSA-N 2 0 346.431 -0.533 20 0 EBADRP COC(=O)[C@]1(NC(=O)CNCCC[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC001220228326 811025916 /nfs/dbraw/zinc/02/59/16/811025916.db2.gz JARFSJSXVSDCGX-SFHVURJKSA-N 2 0 348.447 -0.141 20 0 EBADRP Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230836 811028209 /nfs/dbraw/zinc/02/82/09/811028209.db2.gz QJQMFWKEZPNDED-CABCVRRESA-N 2 0 335.452 -0.534 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCNC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001220254478 811035664 /nfs/dbraw/zinc/03/56/64/811035664.db2.gz QGRXTTGSVOWKMC-OLZOCXBDSA-N 2 0 328.457 -0.155 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001220276573 811043341 /nfs/dbraw/zinc/04/33/41/811043341.db2.gz FPULIJSAYJVCRO-KFWWJZLASA-N 2 0 329.441 -0.705 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCNC(=O)Nc1ccccc1 ZINC001220341252 811062547 /nfs/dbraw/zinc/06/25/47/811062547.db2.gz UZBPFLMWEPYKRE-HNNXBMFYSA-N 2 0 348.451 -0.325 20 0 EBADRP NC(=[NH2+])N(C(=O)C1(N)CC[NH2+]CC1)c1ccc(N2CCOCC2)cc1 ZINC001220460780 811116646 /nfs/dbraw/zinc/11/66/46/811116646.db2.gz YNYOLDDMKQFTLI-UHFFFAOYSA-N 2 0 346.435 -0.169 20 0 EBADRP NC(=[NH2+])N(C(=O)[C@H]1C[NH2+]CCN1)c1ccc(N2CCOCC2)cc1 ZINC001220460605 811116754 /nfs/dbraw/zinc/11/67/54/811116754.db2.gz SNKOXJJFDCOGBO-CQSZACIVSA-N 2 0 332.408 -0.689 20 0 EBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)O1 ZINC001220481898 811123609 /nfs/dbraw/zinc/12/36/09/811123609.db2.gz VMXGMFRFEPWRLZ-DSJMHWKBSA-N 3 0 340.468 -0.298 20 0 EBADRP COCCOCCOCCOCCNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220514337 811132577 /nfs/dbraw/zinc/13/25/77/811132577.db2.gz GVZWGHXOGXHFFF-OAHLLOKOSA-N 2 0 347.456 -0.874 20 0 EBADRP CN(CC[NH3+])CCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC001220515467 811134601 /nfs/dbraw/zinc/13/46/01/811134601.db2.gz CYDQHOSWEVOHIS-KRWDZBQOSA-N 2 0 344.463 -0.192 20 0 EBADRP [NH3+]CCOCCOCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001220519150 811136060 /nfs/dbraw/zinc/13/60/60/811136060.db2.gz DCIYTNUKWQDMDB-HNNXBMFYSA-N 3 0 342.484 -0.442 20 0 EBADRP CCOC(=O)C1=C(NC(=O)C2(C(=O)OCC)C[NH2+]C2)CC[NH2+]C1 ZINC001220522922 811138876 /nfs/dbraw/zinc/13/88/76/811138876.db2.gz HHLCBRMQFLWZFS-UHFFFAOYSA-N 2 0 325.365 -0.934 20 0 EBADRP CC(C)([NH3+])CN(C(=O)C[C@H](O)C[NH3+])S(=O)(=O)c1ccccc1 ZINC001220535508 811143071 /nfs/dbraw/zinc/14/30/71/811143071.db2.gz DJEBTIDBGGPMKL-NSHDSACASA-N 2 0 329.422 -0.349 20 0 EBADRP CC(C)([NH3+])CN(C(=O)[C@@H]1C[NH2+]CCN1)S(=O)(=O)c1ccccc1 ZINC001220535808 811144439 /nfs/dbraw/zinc/14/44/39/811144439.db2.gz MLNCMKIZJAKWFS-ZDUSSCGKSA-N 2 0 340.449 -0.497 20 0 EBADRP COCCC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220637608 811185178 /nfs/dbraw/zinc/18/51/78/811185178.db2.gz IXIODJMMWVOPNJ-CABCVRRESA-N 2 0 329.441 -0.705 20 0 EBADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220651968 811190246 /nfs/dbraw/zinc/19/02/46/811190246.db2.gz TZQKQMXBOALLSO-HNNXBMFYSA-N 2 0 345.447 -0.957 20 0 EBADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)C1=NO[C@@H]2C[NH2+]C[C@H]12 ZINC001220651960 811190446 /nfs/dbraw/zinc/19/04/46/811190446.db2.gz TTXWKNZCUMBCEI-DZGCQCFKSA-N 2 0 329.404 -0.313 20 0 EBADRP [NH3+]Cc1ncccc1NC(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220711646 811213661 /nfs/dbraw/zinc/21/36/61/811213661.db2.gz QMEKVTKDWTWDBX-NSHDSACASA-N 2 0 338.433 -0.107 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001220768431 811234130 /nfs/dbraw/zinc/23/41/30/811234130.db2.gz LJWZEMHUXHENBF-KFWWJZLASA-N 2 0 329.441 -0.848 20 0 EBADRP CO[C@H](C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1)C1CCC1 ZINC001220768609 811234724 /nfs/dbraw/zinc/23/47/24/811234724.db2.gz VDGXAQBNAKMWGY-OWCLPIDISA-N 2 0 343.468 -0.459 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1cncn1C)C(=O)OC ZINC001220770429 811235484 /nfs/dbraw/zinc/23/54/84/811235484.db2.gz WZZZOMOMVYUUBJ-STQMWFEESA-N 2 0 325.413 -0.663 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@H]2CCCN([C@@H]3CC[NH2+]C3)C2)C[NH2+]C1 ZINC001220828711 811258861 /nfs/dbraw/zinc/25/88/61/811258861.db2.gz QHPQMSZXFJADNI-QWHCGFSZSA-N 2 0 336.436 -0.403 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001220830726 811260013 /nfs/dbraw/zinc/26/00/13/811260013.db2.gz GMVKCLURSZFBKA-OAGGEKHMSA-N 2 0 343.468 -0.315 20 0 EBADRP CCOC(=O)C1(NC(=O)c2cccc(N3CC[NH2+]CC3)c2)C[NH2+]C1 ZINC001220853233 811268277 /nfs/dbraw/zinc/26/82/77/811268277.db2.gz RJJZOQNMIPJANP-UHFFFAOYSA-N 2 0 332.404 -0.269 20 0 EBADRP [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001220870642 811276718 /nfs/dbraw/zinc/27/67/18/811276718.db2.gz NORMJRWPTZGPBO-UWVGGRQHSA-N 2 0 329.198 -0.670 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220886767 811282668 /nfs/dbraw/zinc/28/26/68/811282668.db2.gz MFVSXKJLYILFCA-IHRRRGAJSA-N 3 0 325.457 -0.698 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CC(N)=O)C2)CC1 ZINC001036858078 811292240 /nfs/dbraw/zinc/29/22/40/811292240.db2.gz SZPUMZGTLGBBJS-ZFWWWQNUSA-N 2 0 338.452 -0.495 20 0 EBADRP CS(=O)(=O)N1CCC(CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001220926488 811296814 /nfs/dbraw/zinc/29/68/14/811296814.db2.gz OLIPHMHDGSMMLA-CYBMUJFWSA-N 2 0 332.470 -0.899 20 0 EBADRP [NH3+]CCC[NH2+]CC(=O)NCC1CCN(C(=O)c2cccnc2)CC1 ZINC001220928271 811296849 /nfs/dbraw/zinc/29/68/49/811296849.db2.gz JNPRVLGRMGWPEC-UHFFFAOYSA-N 2 0 333.436 -0.012 20 0 EBADRP O=C(NCCO[C@H]1CC[NH2+]C1)c1csc(N2CC[NH2+]CC2)n1 ZINC001220937752 811301275 /nfs/dbraw/zinc/30/12/75/811301275.db2.gz ZIXCUTFRZHQGKZ-NSHDSACASA-N 2 0 325.438 -0.339 20 0 EBADRP O=C(NCc1cn(Cc2ccncc2)cn1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221025661 811351687 /nfs/dbraw/zinc/35/16/87/811351687.db2.gz BOCOEBILFBPKHH-OAHLLOKOSA-N 2 0 326.404 -0.248 20 0 EBADRP COCCOCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073049 811364087 /nfs/dbraw/zinc/36/40/87/811364087.db2.gz CZVHWVVRELKWIO-CVEARBPZSA-N 2 0 343.468 -0.313 20 0 EBADRP [NH3+][C@@H](C(=O)NCc1ccc(N2CCCNC2=O)nc1)C1CC[NH2+]CC1 ZINC001221154044 811394582 /nfs/dbraw/zinc/39/45/82/811394582.db2.gz ZDJHQLDMXNOMFU-OAHLLOKOSA-N 2 0 346.435 -0.056 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001221187820 811409392 /nfs/dbraw/zinc/40/93/92/811409392.db2.gz GTNFVIKWKQCQOP-AVGNSLFASA-N 2 0 340.424 -0.874 20 0 EBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CCC(C2=CC=C(N)C[NH2+]2)CC1 ZINC001221391173 811449036 /nfs/dbraw/zinc/44/90/36/811449036.db2.gz KJYJMNFTDOMDSF-HNNXBMFYSA-N 2 0 330.436 -0.142 20 0 EBADRP NC1=CC=C(C2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)[NH2+]C1 ZINC001221393165 811449549 /nfs/dbraw/zinc/44/95/49/811449549.db2.gz XSSOOWZNEWUIJD-HNNXBMFYSA-N 2 0 333.436 -0.577 20 0 EBADRP COc1cccc([C@@H](C[NH3+])NC(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)c1 ZINC001221406159 811450322 /nfs/dbraw/zinc/45/03/22/811450322.db2.gz ONGUFNLZBXCCDP-HUUCEWRRSA-N 2 0 346.431 -0.073 20 0 EBADRP C[NH+]1CCC(CO)(NC(=O)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC001221407107 811450367 /nfs/dbraw/zinc/45/03/67/811450367.db2.gz XFWSSPGXCZTTGA-HNNXBMFYSA-N 2 0 348.447 -0.755 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC3(CC[NH+](CCO)CC3)[C@H]3COC[C@H]32)C1 ZINC001079273697 811472447 /nfs/dbraw/zinc/47/24/47/811472447.db2.gz MGKIDFQDWDMSHO-OWCLPIDISA-N 2 0 337.464 -0.130 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001221920689 811562715 /nfs/dbraw/zinc/56/27/15/811562715.db2.gz QVSJOKSXUJSMKO-HUUCEWRRSA-N 2 0 337.468 -0.114 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001223611982 811716588 /nfs/dbraw/zinc/71/65/88/811716588.db2.gz WETFCJVBEJIMIU-CYBMUJFWSA-N 2 0 339.440 -0.506 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916973 811736739 /nfs/dbraw/zinc/73/67/39/811736739.db2.gz XOZJEONQJZUGJR-PMPSAXMXSA-N 2 0 343.468 -0.505 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001225088187 811791468 /nfs/dbraw/zinc/79/14/68/811791468.db2.gz WZCUPECJWRVSRV-AWEZNQCLSA-N 2 0 338.452 -0.038 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC001225251675 811799667 /nfs/dbraw/zinc/79/96/67/811799667.db2.gz FZUNOFUETJIVHW-GFCCVEGCSA-N 2 0 341.456 -0.260 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001225346588 811804278 /nfs/dbraw/zinc/80/42/78/811804278.db2.gz OKPFVEYAZOBCAZ-IJLUTSLNSA-N 2 0 325.413 -0.708 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001225427273 811809074 /nfs/dbraw/zinc/80/90/74/811809074.db2.gz NTCOMXFTRIRDEK-DGCLKSJQSA-N 2 0 339.440 -0.650 20 0 EBADRP O=C(NC1CC[NH+](CCOCCO)CC1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001227454801 811923693 /nfs/dbraw/zinc/92/36/93/811923693.db2.gz VCTMYDOMBUNGJU-JKSUJKDBSA-N 2 0 341.452 -0.561 20 0 EBADRP C[NH+](C)CCCC(=O)NC1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001228904664 812004512 /nfs/dbraw/zinc/00/45/12/812004512.db2.gz SLNWLGMAQOHOKL-UHFFFAOYSA-N 2 0 339.440 -0.539 20 0 EBADRP C[NH+]1CCC(OCC(=O)NC2CC[NH+](CCOCCO)CC2)CC1 ZINC001229807721 812056653 /nfs/dbraw/zinc/05/66/53/812056653.db2.gz WYFBFXWOHGZCBO-UHFFFAOYSA-N 2 0 343.468 -0.313 20 0 EBADRP CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001229806584 812056803 /nfs/dbraw/zinc/05/68/03/812056803.db2.gz FEPPMXNBRMHXIH-HNNXBMFYSA-N 2 0 340.468 -0.058 20 0 EBADRP CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001229806586 812057508 /nfs/dbraw/zinc/05/75/08/812057508.db2.gz FEPPMXNBRMHXIH-OAHLLOKOSA-N 2 0 340.468 -0.058 20 0 EBADRP C[NH+](C)CCOCC(=O)NC1CC[NH+](CCN2CCNC2=O)CC1 ZINC001230048792 812072460 /nfs/dbraw/zinc/07/24/60/812072460.db2.gz SUOFALRKAXHPTM-UHFFFAOYSA-N 2 0 341.456 -0.830 20 0 EBADRP COC[C@@H](O)C[NH+]1CCC(NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001230275564 812096730 /nfs/dbraw/zinc/09/67/30/812096730.db2.gz SLPCDXAQYYRUGA-ZBFHGGJFSA-N 2 0 343.468 -0.457 20 0 EBADRP CC[C@H](C(=O)N1CCC(CO)(NC(=O)CC[NH+](C)C)CC1)[NH+](C)C ZINC001080989264 812427865 /nfs/dbraw/zinc/42/78/65/812427865.db2.gz QDKWFSDYWMNDBR-CQSZACIVSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[N@H+](C)CCC(=O)NC1(CO)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001081001169 812435758 /nfs/dbraw/zinc/43/57/58/812435758.db2.gz QVJPOABSWOEOIJ-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CC[C@@]45C[NH2+]C[C@@H](C[C@H]4C3)O5)[C@@H](O)[C@@H]2O1 ZINC001235369752 812483905 /nfs/dbraw/zinc/48/39/05/812483905.db2.gz UBIKCIHBQGXFAF-SIOJJCKYSA-N 2 0 340.420 -0.324 20 0 EBADRP Cn1cc(N2C[C@@]3(COCC[N@H+](CCCC[NH3+])C3)OCC2=O)cn1 ZINC001235592516 812499348 /nfs/dbraw/zinc/49/93/48/812499348.db2.gz IAXPOOKDUOUCTL-INIZCTEOSA-N 2 0 337.424 -0.407 20 0 EBADRP COc1nc(OC)c(CN2CC[NH2+]CCNCC[NH2+]CC2)cc1C ZINC001235873358 812514650 /nfs/dbraw/zinc/51/46/50/812514650.db2.gz DACYXGGKURDUTN-UHFFFAOYSA-N 2 0 337.468 -0.008 20 0 EBADRP Cc1nn(C)c(Cl)c1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236307113 812515352 /nfs/dbraw/zinc/51/53/52/812515352.db2.gz CIIHTYPYBCLYCK-UHFFFAOYSA-N 2 0 330.864 -0.002 20 0 EBADRP C[C@H]([NH3+])CN1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001236265617 812515926 /nfs/dbraw/zinc/51/59/26/812515926.db2.gz YXWJTJHRRCOAJB-IHRRRGAJSA-N 2 0 345.438 -0.451 20 0 EBADRP COc1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cnc1F ZINC001236311344 812517035 /nfs/dbraw/zinc/51/70/35/812517035.db2.gz JAUWAOFFCVLNKL-UHFFFAOYSA-N 2 0 327.404 -0.155 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccccc1OCCO ZINC001236312194 812517283 /nfs/dbraw/zinc/51/72/83/812517283.db2.gz PRXUFGLPOUEDDK-UHFFFAOYSA-N 2 0 338.452 -0.327 20 0 EBADRP COc1cnc(F)c(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001236311302 812517366 /nfs/dbraw/zinc/51/73/66/812517366.db2.gz ISEDZAVNHLLMRB-UHFFFAOYSA-N 2 0 327.404 -0.155 20 0 EBADRP CNc1nc(Cl)ncc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310876 812517415 /nfs/dbraw/zinc/51/74/15/812517415.db2.gz MUTAVYPUBMRHSE-UHFFFAOYSA-N 2 0 343.863 -0.213 20 0 EBADRP C(C[N@H+](CCN1CCOCC1)CC1CC[NH2+]CC1)[C@@H]1C[NH2+]CCO1 ZINC001236399750 812517843 /nfs/dbraw/zinc/51/78/43/812517843.db2.gz QNWDUXUHOKIVBS-GOSISDBHSA-N 3 0 340.512 -0.001 20 0 EBADRP COC(=O)[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)nc2)C[C@@H]1[NH3+] ZINC001236355064 812518885 /nfs/dbraw/zinc/51/88/85/812518885.db2.gz OXPMRLHVSBYSGY-CABCVRRESA-N 2 0 333.436 -0.235 20 0 EBADRP O=C(c1cccc(NS(=O)(=O)[C@@H]2CC[NH2+]C2)c1)N1CC[NH2+]CC1 ZINC001237818139 812522124 /nfs/dbraw/zinc/52/21/24/812522124.db2.gz XIGMCNJXQNWWOR-CQSZACIVSA-N 2 0 338.433 -0.164 20 0 EBADRP C[NH+]1CCN(Cc2cccc(CNS(=O)(=O)CC[NH3+])c2)CC1 ZINC001238415721 812528066 /nfs/dbraw/zinc/52/80/66/812528066.db2.gz ZJBDQRZIQWUVIU-UHFFFAOYSA-N 2 0 326.466 -0.188 20 0 EBADRP COC(=O)[C@H](NS(=O)(=O)CC1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001238708389 812530862 /nfs/dbraw/zinc/53/08/62/812530862.db2.gz SPRKRNCXCJSKSE-CYBMUJFWSA-N 2 0 333.454 -0.553 20 0 EBADRP [NH3+]CCS(=O)(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001239076459 812540969 /nfs/dbraw/zinc/54/09/69/812540969.db2.gz CZHAXDHPLUXYRB-UHFFFAOYSA-N 2 0 327.454 -0.375 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1ccsc1 ZINC001239130766 812546064 /nfs/dbraw/zinc/54/60/64/812546064.db2.gz FMKUJSMSCNWOAX-UHFFFAOYSA-N 2 0 334.467 -0.447 20 0 EBADRP CCOC(=O)[C@H]1CN(S(=O)(=O)[C@H]2CC[NH2+]C2)CCC12C[NH2+]C2 ZINC001239181018 812550202 /nfs/dbraw/zinc/55/02/02/812550202.db2.gz LTQVABKUXXAZKK-NWDGAFQWSA-N 2 0 331.438 -0.847 20 0 EBADRP [NH3+]C1CCN([C@H]2CCN(S(=O)(=O)CC3CC[NH2+]CC3)C2)CC1 ZINC001239163142 812550221 /nfs/dbraw/zinc/55/02/21/812550221.db2.gz QCNDHSSYUNHJBX-HNNXBMFYSA-N 2 0 330.498 -0.187 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C(=S)NCc1ccco1 ZINC001239450166 812553952 /nfs/dbraw/zinc/55/39/52/812553952.db2.gz FFCAQJQZVGVKMU-UHFFFAOYSA-N 2 0 327.454 -0.230 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001245982739 812556958 /nfs/dbraw/zinc/55/69/58/812556958.db2.gz JQFMFODLFYBKIA-QXSJWSMHSA-N 2 0 327.375 -0.084 20 0 EBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)N1 ZINC001245982227 812557597 /nfs/dbraw/zinc/55/75/97/812557597.db2.gz JFEWBZQKZMZORJ-CGTJXYLNSA-N 2 0 330.432 -0.209 20 0 EBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)N1 ZINC001245982234 812557702 /nfs/dbraw/zinc/55/77/02/812557702.db2.gz JFEWBZQKZMZORJ-SZMVWBNQSA-N 2 0 330.432 -0.209 20 0 EBADRP CC(C)(C)OC(=O)[C@@H](N)CC[NH2+]C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001246002948 812558426 /nfs/dbraw/zinc/55/84/26/812558426.db2.gz VXVMYQASEVQPHX-STQMWFEESA-N 2 0 331.457 -0.499 20 0 EBADRP [NH3+]CCNCC[NH2+]C[C@@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001246007254 812558655 /nfs/dbraw/zinc/55/86/55/812558655.db2.gz JNISQCPWEKMHHU-CABCVRRESA-N 2 0 340.378 -0.356 20 0 EBADRP CCOC(=O)[C@H]1C[C@@H]2C[N@H+](C[C@H](O)CC3(O)CC[NH2+]CC3)C[C@@H]2N1 ZINC001246030130 812559585 /nfs/dbraw/zinc/55/95/85/812559585.db2.gz CMMBIDNAYSLPTD-TUVASFSCSA-N 2 0 341.452 -0.923 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246023445 812559617 /nfs/dbraw/zinc/55/96/17/812559617.db2.gz BZNPJOIWWHNYPI-ZFVVBOAOSA-N 2 0 341.402 -0.291 20 0 EBADRP C[NH+](C)CCN(C[C@H](O)CC1(O)CC[NH2+]CC1)[C@@H]1CCC[NH2+]C1 ZINC001246061730 812562060 /nfs/dbraw/zinc/56/20/60/812562060.db2.gz ZYPPRARYQJXFAU-HZPDHXFCSA-N 3 0 328.501 -0.533 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C[C@@H](O)CC1(O)CC[NH2+]CC1)CC2 ZINC001246055736 812562728 /nfs/dbraw/zinc/56/27/28/812562728.db2.gz DYTJCVRNRBAYMS-VBQJREDUSA-N 2 0 341.452 -0.921 20 0 EBADRP [NH3+]C1CCN([C@H]2CC[N@H+](C[C@@H](O)CC3(O)CC[NH2+]CC3)C2)CC1 ZINC001246072308 812563413 /nfs/dbraw/zinc/56/34/13/812563413.db2.gz YUZWRXCBFVUOHB-HOTGVXAUSA-N 3 0 326.485 -0.651 20 0 EBADRP [NH3+][C@@H]1CCN(C2CC[NH+](C[C@@H](O)CC3(O)CC[NH2+]CC3)CC2)C1 ZINC001246070703 812563739 /nfs/dbraw/zinc/56/37/39/812563739.db2.gz OYKMSTKIEJBVSQ-ZBFHGGJFSA-N 3 0 326.485 -0.651 20 0 EBADRP O=S(=O)(CC[NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1)N1CCNCC1 ZINC001246099285 812564752 /nfs/dbraw/zinc/56/47/52/812564752.db2.gz GMSXKJDEBJXFCY-GJZGRUSLSA-N 2 0 330.498 -0.267 20 0 EBADRP O=C([C@@H]1C[C@H]([NH2+]C[C@@H]2COC3(C[NH2+]C3)C2)CN1)N1CCSC1 ZINC001246133039 812566220 /nfs/dbraw/zinc/56/62/20/812566220.db2.gz JCPHYECNBDPVQY-AGIUHOORSA-N 2 0 326.466 -0.782 20 0 EBADRP C[C@H]1C[C@H]([NH2+]CCOCCOCCOCCOCC[NH3+])CC[NH2+]1 ZINC001246215856 812568170 /nfs/dbraw/zinc/56/81/70/812568170.db2.gz KOFPPRVUNORWPX-JKSUJKDBSA-N 3 0 333.473 -0.258 20 0 EBADRP COCCOCCOCCOCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246293003 812570908 /nfs/dbraw/zinc/57/09/08/812570908.db2.gz ZPGFQEZXSFOXCJ-OAHLLOKOSA-N 2 0 331.457 -0.634 20 0 EBADRP [NH3+]C1CCN(CCN[C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC1 ZINC001246407734 812571781 /nfs/dbraw/zinc/57/17/81/812571781.db2.gz YXDLHPVFCOHEAU-KBPBESRZSA-N 2 0 327.498 -0.738 20 0 EBADRP COC(=O)[C@@H](NC1C[C@H]2CC(C(=O)OC)C[C@@H](C1)[NH2+]2)[C@H]1CC[NH2+]C1 ZINC001246493946 812574016 /nfs/dbraw/zinc/57/40/16/812574016.db2.gz BLLLNFPTRUCSQL-QIAAQONQSA-N 2 0 339.436 -0.201 20 0 EBADRP COC(=O)[C@H](NC1C[C@H]2CC(C(=O)OC)C[C@@H](C1)[NH2+]2)[C@H]1CC[NH2+]C1 ZINC001246493951 812574218 /nfs/dbraw/zinc/57/42/18/812574218.db2.gz BLLLNFPTRUCSQL-YVJWCDAJSA-N 2 0 339.436 -0.201 20 0 EBADRP C1CO[C@]2(CN1)COCC[N@@H+](C1CCC3(CC1)C[NH2+]CCO3)C2 ZINC001246607932 812576414 /nfs/dbraw/zinc/57/64/14/812576414.db2.gz UUWZCFAUXXBDEI-JCYILVPMSA-N 2 0 325.453 -0.022 20 0 EBADRP O=C([C@@H]1C[C@@H](N2CCC3(CC2)C[NH2+]CCO3)C[NH2+]1)N1CCSC1 ZINC001246604498 812576530 /nfs/dbraw/zinc/57/65/30/812576530.db2.gz QTCOTLPBMRQKNV-KGLIPLIRSA-N 2 0 340.493 -0.296 20 0 EBADRP Cn1cc(C[C@@H]2[NH2+]CC[C@H]2N(C2CC[NH2+]CC2)S(C)(=O)=O)cn1 ZINC001246696127 812582023 /nfs/dbraw/zinc/58/20/23/812582023.db2.gz PVICNSOOROQICQ-LSDHHAIUSA-N 2 0 341.481 -0.293 20 0 EBADRP CCN1C[C@H]2CC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)CC[C@H]2S1(=O)=O ZINC001246721244 812583326 /nfs/dbraw/zinc/58/33/26/812583326.db2.gz FJANVXRHFSOZPP-QLFBSQMISA-N 2 0 342.509 -0.174 20 0 EBADRP CNC(=O)CN1C(=O)CC[C@@]12CCC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246709024 812583622 /nfs/dbraw/zinc/58/36/22/812583622.db2.gz MFHHVOOHVBXPJP-RDTXWAMCSA-N 2 0 349.479 -0.717 20 0 EBADRP CN(C)C(=O)[C@@H]1CCO[C@@H]2CC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246724732 812584937 /nfs/dbraw/zinc/58/49/37/812584937.db2.gz YJGJGQQESBVDGF-XUWVNRHRSA-N 2 0 336.480 -0.104 20 0 EBADRP CN1CCN(C(=O)C2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)CC1 ZINC001246805562 812588929 /nfs/dbraw/zinc/58/89/29/812588929.db2.gz KKJQLPYYGSORQT-INIZCTEOSA-N 2 0 335.496 -0.434 20 0 EBADRP COC(=O)[C@H]1CN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[C@@H]1[NH3+] ZINC001246950877 812592690 /nfs/dbraw/zinc/59/26/90/812592690.db2.gz ZBQLXCAZEBOITR-VOAKCMCISA-N 2 0 342.465 -0.928 20 0 EBADRP CCOC(=O)[C@H]1CC[C@@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])C1 ZINC001246925551 812592910 /nfs/dbraw/zinc/59/29/10/812592910.db2.gz NLXQBFXUNKGVPQ-UONOGXRCSA-N 3 0 328.457 -0.166 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@@H]1CCCC2(C1)OCCO2 ZINC001246924749 812593167 /nfs/dbraw/zinc/59/31/67/812593167.db2.gz JMDNXDUJBXMZTE-CQSZACIVSA-N 3 0 328.457 -0.212 20 0 EBADRP COC(=O)[C@@H]1CN(C2C[C@H]3CC(C(=O)OC)C[C@@H](C2)[NH2+]3)C[C@H]1[NH3+] ZINC001246935083 812593344 /nfs/dbraw/zinc/59/33/44/812593344.db2.gz XWTDPSHRMJRZTP-MRJDOLBNSA-N 2 0 325.409 -0.509 20 0 EBADRP CC(C)S(=O)(=O)N(C1CC[NH2+]CC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246956664 812594596 /nfs/dbraw/zinc/59/45/96/812594596.db2.gz GRSGUBHNRYSHDB-AWEZNQCLSA-N 2 0 330.498 -0.127 20 0 EBADRP O=S1(=O)CCCCN1C1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246955362 812594846 /nfs/dbraw/zinc/59/48/46/812594846.db2.gz PUYPNNKFHPCTCR-HNNXBMFYSA-N 2 0 342.509 -0.030 20 0 EBADRP CCOC(=O)[C@H]1C[N@@H+]([C@@H]2CN[C@H](C(=O)OC)C2)CCC12C[NH2+]C2 ZINC001247008129 812595926 /nfs/dbraw/zinc/59/59/26/812595926.db2.gz LRNOKBYRTOBWEG-XQQFMLRXSA-N 2 0 325.409 -0.636 20 0 EBADRP CCOC(=O)[C@@H]1C[N@@H+]([C@@H]2CN[C@@H](C(=O)OC)C2)CCC12C[NH2+]C2 ZINC001247008127 812595970 /nfs/dbraw/zinc/59/59/70/812595970.db2.gz LRNOKBYRTOBWEG-RWMBFGLXSA-N 2 0 325.409 -0.636 20 0 EBADRP C[NH+](C)C[C@H](O)CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC001251847131 812636220 /nfs/dbraw/zinc/63/62/20/812636220.db2.gz YKDVYAAVWDVFCB-GFCCVEGCSA-N 2 0 332.364 -0.756 20 0 EBADRP COC(=O)[C@H](O)C[N@@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001252415048 812650396 /nfs/dbraw/zinc/65/03/96/812650396.db2.gz OFJGRMKOYQRWSA-OAHLLOKOSA-N 2 0 337.420 -0.656 20 0 EBADRP Cn1cc(C[C@@H]2[NH2+]CC[C@H]2N([C@H]2CC[N@H+](C)C2)S(C)(=O)=O)cn1 ZINC001255430149 812713507 /nfs/dbraw/zinc/71/35/07/812713507.db2.gz WTFMSMJPROHUIV-SOUVJXGZSA-N 2 0 341.481 -0.341 20 0 EBADRP O=S1(=O)CCN(CC[NH2+]C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC001256683444 812737408 /nfs/dbraw/zinc/73/74/08/812737408.db2.gz CEFXVZLDCJXJCL-UHFFFAOYSA-N 2 0 345.509 -0.050 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001261820212 812992186 /nfs/dbraw/zinc/99/21/86/812992186.db2.gz TXJYBLYUAIWMLD-STQMWFEESA-N 2 0 326.441 -0.591 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001262073379 813033816 /nfs/dbraw/zinc/03/38/16/813033816.db2.gz PZOVESSFANAION-HZSPNIEDSA-N 2 0 326.441 -0.591 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081500145 813077387 /nfs/dbraw/zinc/07/73/87/813077387.db2.gz ROXQLAHMCVPUIC-CABCVRRESA-N 2 0 340.468 -0.642 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@@H]1O ZINC001081506548 813098728 /nfs/dbraw/zinc/09/87/28/813098728.db2.gz UJVRJRMRTXDURO-CABCVRRESA-N 2 0 342.484 -0.395 20 0 EBADRP CC1CC[NH+](CC(=O)NCc2nc(C[NH2+]CCO)cc(=O)[nH]2)CC1 ZINC001264028372 813143453 /nfs/dbraw/zinc/14/34/53/813143453.db2.gz UFWOTKRASLXVSV-UHFFFAOYSA-N 2 0 337.424 -0.388 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)CC(=O)N1CCOCC1 ZINC001265073046 813236508 /nfs/dbraw/zinc/23/65/08/813236508.db2.gz NZLCBVQCKLUFGG-UHFFFAOYSA-N 2 0 328.457 -0.377 20 0 EBADRP C[C@H](O)C[NH+]1CCN(CCCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001265253437 813277595 /nfs/dbraw/zinc/27/75/95/813277595.db2.gz PSIZFLBXRRZHIS-JKSUJKDBSA-N 2 0 326.485 -0.167 20 0 EBADRP CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001265316724 813305124 /nfs/dbraw/zinc/30/51/24/813305124.db2.gz BEZULVCTCVSYJY-ZIAGYGMSSA-N 2 0 346.497 -0.542 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001265441391 813325185 /nfs/dbraw/zinc/32/51/85/813325185.db2.gz FTDHJAKXEBTNAD-QWHCGFSZSA-N 2 0 332.470 -0.790 20 0 EBADRP CCC[NH+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001081634432 813335404 /nfs/dbraw/zinc/33/54/04/813335404.db2.gz HPBKRKMUVOBYQK-GJZGRUSLSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CCNS(C)(=O)=O)[NH+](C)C ZINC001265673354 813356818 /nfs/dbraw/zinc/35/68/18/813356818.db2.gz DCCDSEXOUDVKQU-UONOGXRCSA-N 2 0 348.513 -0.154 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CCO)C1)[NH+](C)C ZINC001265881774 813402434 /nfs/dbraw/zinc/40/24/34/813402434.db2.gz OPPQZNRLVQDSQM-CABCVRRESA-N 2 0 342.484 -0.491 20 0 EBADRP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C[C@H]1CCS(=O)(=O)C1 ZINC001265902983 813410488 /nfs/dbraw/zinc/41/04/88/813410488.db2.gz ZSFDURFRFMAXTQ-ZIAGYGMSSA-N 2 0 331.482 -0.047 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001266125553 813463133 /nfs/dbraw/zinc/46/31/33/813463133.db2.gz FDXXJJUAQPZPHA-WCQYABFASA-N 2 0 339.440 -0.365 20 0 EBADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCNS(C)(=O)=O ZINC001266145697 813465541 /nfs/dbraw/zinc/46/55/41/813465541.db2.gz BCNGWUGFGGDFDM-YNEHKIRRSA-N 2 0 334.486 -0.640 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1O ZINC001081732647 813487674 /nfs/dbraw/zinc/48/76/74/813487674.db2.gz JLXUOIWQUZTVAP-ZIAGYGMSSA-N 2 0 340.468 -0.642 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001266583046 813613965 /nfs/dbraw/zinc/61/39/65/813613965.db2.gz KQVCPUPQRZGVBV-ZQDZILKHSA-N 2 0 340.468 -0.141 20 0 EBADRP CN1CCO[C@H](C(=O)N2CCCC[C@H]2CNC(=O)CC[NH+](C)C)C1 ZINC001081979599 813702103 /nfs/dbraw/zinc/70/21/03/813702103.db2.gz PDYPAFWLNMZNEG-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001266939840 813705367 /nfs/dbraw/zinc/70/53/67/813705367.db2.gz PHASMGJEIMDKLX-HZSPNIEDSA-N 2 0 338.452 -0.040 20 0 EBADRP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CCN1C(=O)CNC1=O ZINC001266975711 813715926 /nfs/dbraw/zinc/71/59/26/813715926.db2.gz PPQROGWBKNLMCK-GFCCVEGCSA-N 2 0 339.440 -0.636 20 0 EBADRP CN(CC[NH2+]CC(=O)NCC(F)(F)F)C(=O)C12CC[NH+](CC1)C2 ZINC001266988647 813722311 /nfs/dbraw/zinc/72/23/11/813722311.db2.gz MNSFRPAGBFXSDI-UHFFFAOYSA-N 2 0 336.358 -0.191 20 0 EBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001266993378 813723774 /nfs/dbraw/zinc/72/37/74/813723774.db2.gz LAAFTPTWUWNSAA-LBPRGKRZSA-N 2 0 339.440 -0.493 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCS(C)(=O)=O)C1 ZINC001267034075 813741196 /nfs/dbraw/zinc/74/11/96/813741196.db2.gz DCOQUGASXCXHBZ-KGLIPLIRSA-N 2 0 331.482 -0.047 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCS(C)(=O)=O)C1 ZINC001267034073 813741337 /nfs/dbraw/zinc/74/13/37/813741337.db2.gz DCOQUGASXCXHBZ-KBPBESRZSA-N 2 0 331.482 -0.047 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001267069453 813751209 /nfs/dbraw/zinc/75/12/09/813751209.db2.gz WVLQNBLKXHNQIZ-ZIAGYGMSSA-N 2 0 336.436 -0.475 20 0 EBADRP CC[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1CC(=O)NC(N)=O)[NH+](C)C ZINC001267175053 813778295 /nfs/dbraw/zinc/77/82/95/813778295.db2.gz OSXDVKDUSBMVJO-STQMWFEESA-N 2 0 341.456 -0.118 20 0 EBADRP CO[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001082222120 813829591 /nfs/dbraw/zinc/82/95/91/813829591.db2.gz HFJTZEBMNFTQPA-NWANDNLSSA-N 2 0 339.440 -0.746 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001267372243 813862716 /nfs/dbraw/zinc/86/27/16/813862716.db2.gz JLCQLUOHELCXEW-ZDUSSCGKSA-N 2 0 341.456 -0.247 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001267475139 813910311 /nfs/dbraw/zinc/91/03/11/813910311.db2.gz XQMMFUOATUXMJU-UHFFFAOYSA-N 2 0 341.456 -0.295 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001267475238 813910549 /nfs/dbraw/zinc/91/05/49/813910549.db2.gz YURNUPHORRSOSW-UHFFFAOYSA-N 2 0 327.429 -0.637 20 0 EBADRP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001082518056 813961387 /nfs/dbraw/zinc/96/13/87/813961387.db2.gz XDNSIJYMCYUBJU-VNHYZAJKSA-N 2 0 348.451 -0.617 20 0 EBADRP CC(=O)NCCOCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267634818 813962733 /nfs/dbraw/zinc/96/27/33/813962733.db2.gz QONQSLJCUKGILZ-CVEARBPZSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)[NH+](C)C ZINC001082748621 814004754 /nfs/dbraw/zinc/00/47/54/814004754.db2.gz UFUGVTWPKDFLER-MCIONIFRSA-N 2 0 338.452 -0.088 20 0 EBADRP CC(=O)NCCOCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267755048 814027197 /nfs/dbraw/zinc/02/71/97/814027197.db2.gz ZKJOITJRQNYDGN-LSDHHAIUSA-N 2 0 326.441 -0.719 20 0 EBADRP CN(CC[N@H+](C)CCN1C(=O)CCC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001268254982 814161613 /nfs/dbraw/zinc/16/16/13/814161613.db2.gz JRPAACHBANHXSD-UHFFFAOYSA-N 2 0 336.436 -0.379 20 0 EBADRP C[C@H](CC[NH2+]CC(=O)NC(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001268380340 814227810 /nfs/dbraw/zinc/22/78/10/814227810.db2.gz ROTHMFWVEBDAKG-LLVKDONJSA-N 2 0 325.413 -0.706 20 0 EBADRP O=C(N1CCO[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]21)C12CC[NH+](CC1)C2 ZINC001083249421 814237363 /nfs/dbraw/zinc/23/73/63/814237363.db2.gz DOXFQIZXNNJYFX-SOUVJXGZSA-N 2 0 348.447 -0.728 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC/C=C/C[NH2+]CC(=O)N(C)C ZINC001268625991 814325408 /nfs/dbraw/zinc/32/54/08/814325408.db2.gz XBANYIUNQYUPFX-NNTXTVRGSA-N 2 0 326.441 -0.695 20 0 EBADRP CC1CC[NH+](CC(=O)NCC2CN([C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001268892612 814432666 /nfs/dbraw/zinc/43/26/66/814432666.db2.gz YGZSWMWRYAELJZ-AWEZNQCLSA-N 2 0 336.436 -0.429 20 0 EBADRP Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083465642 814460886 /nfs/dbraw/zinc/46/08/86/814460886.db2.gz MDHMAFNHTJNQGC-ZACQAIPSSA-N 2 0 347.463 -0.534 20 0 EBADRP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)CN(C)C(N)=[NH2+] ZINC001268997062 814468144 /nfs/dbraw/zinc/46/81/44/814468144.db2.gz SYROBYNNEIESDC-YHWZYXNKSA-N 2 0 327.429 -0.456 20 0 EBADRP CC(=O)NCCOCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001269220779 814584050 /nfs/dbraw/zinc/58/40/50/814584050.db2.gz CHDPIKVICPAMRA-HOTGVXAUSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(CC(=O)N1CC[C@H]2C[C@]21C(=O)NC1CC[NH+](C)CC1)C(N)=[NH2+] ZINC001269347566 814652308 /nfs/dbraw/zinc/65/23/08/814652308.db2.gz GEUYVDBGSVTCBV-MEDUHNTESA-N 2 0 336.440 -0.987 20 0 EBADRP CC(C)[C@H](C(=O)NCC1([NH2+]CCN2C(=O)CCC2=O)CC1)[NH+](C)C ZINC001269485083 814709608 /nfs/dbraw/zinc/70/96/08/814709608.db2.gz YZBNNSUFUAHOML-OAHLLOKOSA-N 2 0 338.452 -0.040 20 0 EBADRP Cn1ccc(C[N@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)cc1=O ZINC001083953065 815734438 /nfs/dbraw/zinc/73/44/38/815734438.db2.gz GDAYQQCERSSKMH-IMJJTQAJSA-N 2 0 348.447 -0.612 20 0 EBADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C[NH2+]CCN1CCNC1=O ZINC001270517608 815804215 /nfs/dbraw/zinc/80/42/15/815804215.db2.gz RTYIVROAUYGDLT-KGLIPLIRSA-N 2 0 325.457 -0.305 20 0 EBADRP CN1CCO[C@@H](C(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3CCn2ccnc2)C1 ZINC001270979222 815943215 /nfs/dbraw/zinc/94/32/15/815943215.db2.gz FSPFMOGLJJNGCE-HRCADAONSA-N 2 0 333.436 -0.111 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001084831312 815991773 /nfs/dbraw/zinc/99/17/73/815991773.db2.gz GJAFECMWCZXHKU-QLFBSQMISA-N 2 0 335.452 -0.504 20 0 EBADRP C[NH+](C)CCN1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)CC4)C[C@H](C1)O2 ZINC001271290330 816064865 /nfs/dbraw/zinc/06/48/65/816064865.db2.gz JOBNZILFCJINNI-IYBDPMFKSA-N 2 0 336.480 -0.055 20 0 EBADRP C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001271450265 816112052 /nfs/dbraw/zinc/11/20/52/816112052.db2.gz UVRFJMZHIKWCPM-STQMWFEESA-N 2 0 341.456 -0.260 20 0 EBADRP CN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)C3(O)CC[NH+](C)CC3)C2)C1 ZINC001271802409 816217134 /nfs/dbraw/zinc/21/71/34/816217134.db2.gz WTAHZBAHYDHXPO-UHFFFAOYSA-N 2 0 338.452 -0.934 20 0 EBADRP O=C(NC[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001086087062 816225801 /nfs/dbraw/zinc/22/58/01/816225801.db2.gz NYDRBOMBCSYOQT-PMOUVXMZSA-N 2 0 348.447 -0.382 20 0 EBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1)C(N)=O ZINC001086177453 816260738 /nfs/dbraw/zinc/26/07/38/816260738.db2.gz USVVOAZRNBNYSQ-BARDWOONSA-N 2 0 340.468 -0.156 20 0 EBADRP O=C(NC[C@@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001086254538 816279947 /nfs/dbraw/zinc/27/99/47/816279947.db2.gz GKFBIEMIXSMVRT-BETUJISGSA-N 2 0 349.435 -0.882 20 0 EBADRP Cn1nncc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001086373003 816310910 /nfs/dbraw/zinc/31/09/10/816310910.db2.gz HHCKDODCFSCNCN-RZLSGREXSA-N 2 0 348.451 -0.337 20 0 EBADRP Cn1cc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)nn1 ZINC001086373303 816311049 /nfs/dbraw/zinc/31/10/49/816311049.db2.gz SLKXMMPXSSKGIK-RRCSTGOVSA-N 2 0 348.451 -0.337 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1)C(N)=O ZINC001086431920 816332402 /nfs/dbraw/zinc/33/24/02/816332402.db2.gz GZANVVRYXUFKOP-IKOJDNRSSA-N 2 0 336.436 -0.792 20 0 EBADRP Cn1cc(C[NH2+]CCN(CCO)C(=O)[C@@H]2C[NH+]3CCC2CC3)cn1 ZINC001272168588 816336790 /nfs/dbraw/zinc/33/67/90/816336790.db2.gz LFXIEZXIESHPKK-MRXNPFEDSA-N 2 0 335.452 -0.328 20 0 EBADRP CN(C)C(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001272196976 816347695 /nfs/dbraw/zinc/34/76/95/816347695.db2.gz PYNQRXODJXGGHD-LSDHHAIUSA-N 2 0 340.468 -0.498 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCNS(C)(=O)=O)C1 ZINC001272383673 816416783 /nfs/dbraw/zinc/41/67/83/816416783.db2.gz ITUIVHQUGAWQCE-KGLIPLIRSA-N 2 0 346.497 -0.542 20 0 EBADRP CC(C)NC(=O)NCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272495053 816444715 /nfs/dbraw/zinc/44/47/15/816444715.db2.gz ALRHWGNXSYPRGY-KGLIPLIRSA-N 2 0 343.472 -0.755 20 0 EBADRP COC(=O)CCC[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001272498464 816447447 /nfs/dbraw/zinc/44/74/47/816447447.db2.gz NAXJRCUPQURBBO-MRXNPFEDSA-N 2 0 327.425 -0.196 20 0 EBADRP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](C[C@H]1CCC(=O)N1)C2 ZINC001272525704 816459842 /nfs/dbraw/zinc/45/98/42/816459842.db2.gz XJBSWIFNMUMHFL-RHSMWYFYSA-N 2 0 338.452 -0.623 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCn1ccnc1 ZINC001272566011 816477936 /nfs/dbraw/zinc/47/79/36/816477936.db2.gz VWOGQXJCCWCAQD-BBWFWOEESA-N 2 0 346.479 -0.196 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001272641835 816499567 /nfs/dbraw/zinc/49/95/67/816499567.db2.gz PCMKISBLVYOQIU-ZIAGYGMSSA-N 2 0 346.497 -0.685 20 0 EBADRP C[C@@H](CC[NH2+]Cc1nnnn1C1CC1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001272704903 816509160 /nfs/dbraw/zinc/50/91/60/816509160.db2.gz WQPAVPSFVIROGZ-AAEUAGOBSA-N 2 0 337.428 -0.677 20 0 EBADRP COc1cncc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CN(C)CCO2)n1 ZINC001272702543 816509554 /nfs/dbraw/zinc/50/95/54/816509554.db2.gz HVCIGCUVFHQSLT-JSGCOSHPSA-N 2 0 337.424 -0.200 20 0 EBADRP C[C@H](CC[NH2+]CCNS(C)(=O)=O)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001272781235 816523204 /nfs/dbraw/zinc/52/32/04/816523204.db2.gz GPZUPROFBJUSGK-TZMCWYRMSA-N 2 0 346.497 -0.638 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001272789925 816523885 /nfs/dbraw/zinc/52/38/85/816523885.db2.gz GDGUZWSRCDSNHD-FRRDWIJNSA-N 2 0 338.456 -0.177 20 0 EBADRP CC(C)OC(=O)CN1C(=O)COCC12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001273029667 816570448 /nfs/dbraw/zinc/57/04/48/816570448.db2.gz DOVYAKSELWTIFK-UHFFFAOYSA-N 2 0 339.436 -0.149 20 0 EBADRP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088171697 816641588 /nfs/dbraw/zinc/64/15/88/816641588.db2.gz CDTPZTBCKBMZRD-CABCVRRESA-N 2 0 334.464 -0.049 20 0 EBADRP CS(=O)(=O)CCC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001273358445 816653581 /nfs/dbraw/zinc/65/35/81/816653581.db2.gz FNBFMUKDICPDOK-CQSZACIVSA-N 2 0 347.481 -0.666 20 0 EBADRP CN(CCC[N@H+](C)CCN1C(=O)CNC1=O)C(=O)C[NH+]1CCCC1 ZINC001273591297 816703667 /nfs/dbraw/zinc/70/36/67/816703667.db2.gz MNKUXQHNKUDVOC-UHFFFAOYSA-N 2 0 339.440 -0.586 20 0 EBADRP CCN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001273709900 816737764 /nfs/dbraw/zinc/73/77/64/816737764.db2.gz BTTZBLJSTGYLET-HNNXBMFYSA-N 2 0 340.468 -0.375 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](CCN3CCNC3=O)[C@@H]2C)C1 ZINC001088859952 816754311 /nfs/dbraw/zinc/75/43/11/816754311.db2.gz QSWKCNUORJDWRJ-KFWWJZLASA-N 2 0 337.468 -0.068 20 0 EBADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@H+](C[C@H]3COCCO3)C2)C1=O ZINC001273774551 816757266 /nfs/dbraw/zinc/75/72/66/816757266.db2.gz PYAQMMOTOFCKEW-WMLDXEAASA-N 2 0 339.436 -0.196 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001088984421 816775756 /nfs/dbraw/zinc/77/57/56/816775756.db2.gz ZWSGXIPRNDFPDF-OLZOCXBDSA-N 2 0 349.435 -0.787 20 0 EBADRP CN(C)C(=O)CC[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273838580 816782093 /nfs/dbraw/zinc/78/20/93/816782093.db2.gz VRFHVLVDFPLQTC-MRXNPFEDSA-N 2 0 326.441 -0.670 20 0 EBADRP C[NH+]1CCN(CCCN2CC[C@]3(CC[N@H+](CC(N)=O)C3)C2=O)CC1 ZINC001274062501 816854514 /nfs/dbraw/zinc/85/45/14/816854514.db2.gz RQSNRKOWAMMEKO-KRWDZBQOSA-N 2 0 337.468 -0.966 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCN1C(=O)CNC1=O ZINC001274132589 816877553 /nfs/dbraw/zinc/87/75/53/816877553.db2.gz BPNQYZOBBIQGEP-ITDFMYJTSA-N 2 0 337.424 -0.716 20 0 EBADRP CCOC[C@H](O)C[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274568280 817015242 /nfs/dbraw/zinc/01/52/42/817015242.db2.gz VJAMMAMYEPGIPR-RHSMWYFYSA-N 2 0 341.452 -0.214 20 0 EBADRP COC(=O)[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001274604553 817030173 /nfs/dbraw/zinc/03/01/73/817030173.db2.gz VOHRODGOUBHQTD-YOEHRIQHSA-N 2 0 341.452 -0.214 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001274643458 817055356 /nfs/dbraw/zinc/05/53/56/817055356.db2.gz QJJBBAPYYONXPW-GOEBONIOSA-N 2 0 329.441 -0.894 20 0 EBADRP C[C@H](C[NH2+]CCCN1C(=O)CNC1=O)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001274810539 817090732 /nfs/dbraw/zinc/09/07/32/817090732.db2.gz LTMDDUNRBZJKSS-CHWSQXEVSA-N 2 0 339.440 -0.493 20 0 EBADRP C[C@H](C[NH2+]CCS(C)(=O)=O)NC(=O)COC1CC[NH+](C)CC1 ZINC001274967276 817133612 /nfs/dbraw/zinc/13/36/12/817133612.db2.gz AGPOSVVZXXFOPN-GFCCVEGCSA-N 2 0 335.470 -0.764 20 0 EBADRP C[C@@H](C[NH2+]CCn1cc(Cl)cn1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001275105014 817150263 /nfs/dbraw/zinc/15/02/63/817150263.db2.gz JSCXAAVXSKMCQJ-AAEUAGOBSA-N 2 0 329.832 -0.039 20 0 EBADRP C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](CC4C(=O)N=CNC4=O)CC3)[C@@H]2C1 ZINC001275273101 817186030 /nfs/dbraw/zinc/18/60/30/817186030.db2.gz FSRANKUOWWSNJD-ZYHUDNBSSA-N 2 0 333.392 -0.470 20 0 EBADRP C[C@@H](C[NH2+]CCCN1C(=O)CNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001275410658 817209269 /nfs/dbraw/zinc/20/92/69/817209269.db2.gz NLHAOCHCRKOOFQ-LBPRGKRZSA-N 2 0 337.424 -0.882 20 0 EBADRP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090306752 817241540 /nfs/dbraw/zinc/24/15/40/817241540.db2.gz LGBRHDQMGFUQFT-STQMWFEESA-N 2 0 327.450 -0.033 20 0 EBADRP C[C@@H](C[N@H+](C)CCN1C(=O)CNC1=O)NC(=O)C[NH+](C)C1CCC1 ZINC001275574142 817253182 /nfs/dbraw/zinc/25/31/82/817253182.db2.gz OYYJKZYWCVDAKI-LBPRGKRZSA-N 2 0 339.440 -0.541 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001275916093 817312853 /nfs/dbraw/zinc/31/28/53/817312853.db2.gz UNJQZCWNJBYPGD-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H](C[NH2+]CCCN(C)C(=O)[C@@H]1CN(C)CCO1)CS(C)(=O)=O ZINC001275931229 817319492 /nfs/dbraw/zinc/31/94/92/817319492.db2.gz UGXSNPNCYJZEBS-KBPBESRZSA-N 2 0 349.497 -0.564 20 0 EBADRP O=C(N[C@@H]1CC[N@@H+](CCn2cncn2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001090392274 817348050 /nfs/dbraw/zinc/34/80/50/817348050.db2.gz RMEVPDZCPLECNX-HUUCEWRRSA-N 2 0 348.451 -0.542 20 0 EBADRP O=C(N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001090425109 817390013 /nfs/dbraw/zinc/39/00/13/817390013.db2.gz KWHRCUPOYYUPFZ-HIFRSBDPSA-N 2 0 331.376 -0.575 20 0 EBADRP O=C(N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001090424741 817390473 /nfs/dbraw/zinc/39/04/73/817390473.db2.gz HDKIDRLRCVRNDF-GDBMZVCRSA-N 2 0 345.403 -0.185 20 0 EBADRP C[NH+]1CCC(C[NH+]2CC3(CCN3C(=O)Cn3cccnc3=O)C2)CC1 ZINC001276688424 817452789 /nfs/dbraw/zinc/45/27/89/817452789.db2.gz OCMJGFWXNVIBNM-UHFFFAOYSA-N 2 0 345.447 -0.128 20 0 EBADRP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@@H]2O)cc1 ZINC001090578390 817559064 /nfs/dbraw/zinc/55/90/64/817559064.db2.gz WPJFNOQDSJQJDX-SJORKVTESA-N 2 0 335.448 -0.052 20 0 EBADRP CN1CCO[C@@H](C(=O)NCCOCC[N@H+](C)C[C@H]2CCOC2)C1 ZINC001277481144 817575869 /nfs/dbraw/zinc/57/58/69/817575869.db2.gz MSKBMLQBVUJBQV-HUUCEWRRSA-N 2 0 329.441 -0.582 20 0 EBADRP C[N@H+](CCOCCNC(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CCNC1=O ZINC001277501730 817582375 /nfs/dbraw/zinc/58/23/75/817582375.db2.gz VRUWKSYOKUJZJO-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP CNC(=O)CN1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001090642469 817605669 /nfs/dbraw/zinc/60/56/69/817605669.db2.gz XANOVJGIEZBRBW-HOTGVXAUSA-N 2 0 348.447 -0.341 20 0 EBADRP CN1CCN(C(=O)C[N@@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)CC1 ZINC001277632321 817613695 /nfs/dbraw/zinc/61/36/95/817613695.db2.gz SKHPSZWHWGQEMH-UHFFFAOYSA-N 2 0 337.512 -0.280 20 0 EBADRP COCCCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001277823635 817641535 /nfs/dbraw/zinc/64/15/35/817641535.db2.gz NNZIEUCGQXMDHI-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCn3ccnc3)C[C@@H]12 ZINC001277961196 817662791 /nfs/dbraw/zinc/66/27/91/817662791.db2.gz UBPRCZXIONZLRH-JYJNAYRXSA-N 2 0 347.463 -0.224 20 0 EBADRP C[C@@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCn3ccnc3)C[C@@H]12 ZINC001277961197 817662798 /nfs/dbraw/zinc/66/27/98/817662798.db2.gz UBPRCZXIONZLRH-PMPSAXMXSA-N 2 0 347.463 -0.224 20 0 EBADRP C[C@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCn3ccnc3)C[C@H]12 ZINC001277961194 817662867 /nfs/dbraw/zinc/66/28/67/817662867.db2.gz UBPRCZXIONZLRH-ARFHVFGLSA-N 2 0 347.463 -0.224 20 0 EBADRP C[C@@H]1[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)CCN1C(=O)CC[NH+](C)C ZINC001278293866 817737676 /nfs/dbraw/zinc/73/76/76/817737676.db2.gz PQOACTJWZKOYBN-KGLIPLIRSA-N 2 0 348.513 -0.201 20 0 EBADRP C[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)C1CC[NH+](C)CC1 ZINC001278399173 817753050 /nfs/dbraw/zinc/75/30/50/817753050.db2.gz VATFDTVNUCYZOO-GXTWGEPZSA-N 2 0 346.497 -0.544 20 0 EBADRP Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)cc1=O ZINC001090818403 817773575 /nfs/dbraw/zinc/77/35/75/817773575.db2.gz VGWFYLVOJXRODY-CVEARBPZSA-N 2 0 348.447 -0.468 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](C)(C[NH2+]CCN3CCNC3=O)C2)C1 ZINC001278582177 817783395 /nfs/dbraw/zinc/78/33/95/817783395.db2.gz HJGDDANJFXZMCN-YOEHRIQHSA-N 2 0 337.468 -0.209 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001090956786 817828732 /nfs/dbraw/zinc/82/87/32/817828732.db2.gz JCMDDLQDYHSWAF-RUXDESIVSA-N 2 0 348.451 -0.113 20 0 EBADRP O=C(NCC1CC([NH2+]CCN2C(=O)CCC2=O)C1)C12CC[NH+](CC1)C2 ZINC001091327365 817960107 /nfs/dbraw/zinc/96/01/07/817960107.db2.gz ISNSPLFFNCEIFU-UHFFFAOYSA-N 2 0 348.447 -0.284 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N(CCO)CC[NH2+]CC(=O)NC1CC1 ZINC001279801489 817987823 /nfs/dbraw/zinc/98/78/23/817987823.db2.gz YMTLLXSPAWTGNU-AWEZNQCLSA-N 2 0 326.441 -0.840 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H](CC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001280252022 818029717 /nfs/dbraw/zinc/02/97/17/818029717.db2.gz PAGYNULZSVVHCU-ZDUSSCGKSA-N 2 0 338.456 -0.222 20 0 EBADRP O=C(N1CCC[C@@](CO)([NH2+]CCOCCO)C1)C12CC[NH+](CC1)C2 ZINC001281184485 818070014 /nfs/dbraw/zinc/07/00/14/818070014.db2.gz LBWWRKJRPFYVMX-QGZVFWFLSA-N 2 0 341.452 -0.966 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001093822687 818108730 /nfs/dbraw/zinc/10/87/30/818108730.db2.gz VXHOXXFHUBORPY-UXIGCNINSA-N 2 0 335.456 -0.266 20 0 EBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001094040421 818148190 /nfs/dbraw/zinc/14/81/90/818148190.db2.gz IPFPUKDRDCDVJT-HZSPNIEDSA-N 2 0 335.456 -0.122 20 0 EBADRP C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1[NH2+]CCOCCO ZINC001281456626 818188001 /nfs/dbraw/zinc/18/80/01/818188001.db2.gz JZIUHDDRCPKZQA-HOCLYGCPSA-N 2 0 343.468 -0.457 20 0 EBADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1[NH2+]CCOCCO ZINC001281456627 818188035 /nfs/dbraw/zinc/18/80/35/818188035.db2.gz JZIUHDDRCPKZQA-ZBFHGGJFSA-N 2 0 343.468 -0.457 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001281990546 818330768 /nfs/dbraw/zinc/33/07/68/818330768.db2.gz JJPZGJZFYQDKCC-WXRRBKDZSA-N 2 0 337.424 -0.883 20 0 EBADRP CCC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)[C@@H]1CCC(=O)NC1=O ZINC001282486521 818439633 /nfs/dbraw/zinc/43/96/33/818439633.db2.gz QODXVURHAWLNRM-CHWSQXEVSA-N 2 0 326.441 -0.040 20 0 EBADRP Cn1cncc1CC(=O)N[C@H]1CC(=O)N(C2C[NH+](CC3CC3)C2)C1 ZINC001094809525 818501150 /nfs/dbraw/zinc/50/11/50/818501150.db2.gz LXQDAPCZQMLDBI-ZDUSSCGKSA-N 2 0 331.420 -0.226 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001283883307 819017709 /nfs/dbraw/zinc/01/77/09/819017709.db2.gz CWTILEVIBFBRPT-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)CCC[NH+](C)C ZINC001284004983 819060666 /nfs/dbraw/zinc/06/06/66/819060666.db2.gz UUSXRUBWQOYKHE-QWHCGFSZSA-N 2 0 334.486 -0.544 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001284031134 819072867 /nfs/dbraw/zinc/07/28/67/819072867.db2.gz IZZNAXKKQGYHAU-ZIAGYGMSSA-N 2 0 348.513 -0.155 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC([NH+](CCO)CC(N)=O)CC1 ZINC001098410119 819175733 /nfs/dbraw/zinc/17/57/33/819175733.db2.gz FSWGVRKIGWXSKZ-UHFFFAOYSA-N 2 0 328.457 -0.513 20 0 EBADRP C[C@@H](O)C[N@H+](CCO)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001098477590 819207433 /nfs/dbraw/zinc/20/74/33/819207433.db2.gz AVVZSQMVELMXDS-LSDHHAIUSA-N 2 0 327.469 -0.006 20 0 EBADRP CNC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001098478825 819209285 /nfs/dbraw/zinc/20/92/85/819209285.db2.gz FWWVJCJUZYEOOF-HIFRSBDPSA-N 2 0 340.468 -0.785 20 0 EBADRP CN(C)C(=O)C[N@H+](CCO)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001098561654 819245747 /nfs/dbraw/zinc/24/57/47/819245747.db2.gz LBTZBROWGBDSAM-UHFFFAOYSA-N 2 0 340.468 -0.544 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@H](n2cc(C[NH2+]C[C@H](C)O)nn2)C1 ZINC001098751539 819353117 /nfs/dbraw/zinc/35/31/17/819353117.db2.gz OENLOQHQFFGBJG-ZFWWWQNUSA-N 2 0 338.456 -0.136 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](n3cc(C[NH2+]CCCO)nn3)C2)C1 ZINC001098778829 819362638 /nfs/dbraw/zinc/36/26/38/819362638.db2.gz BRNIWEQDVXKUBR-ZFWWWQNUSA-N 2 0 336.440 -0.525 20 0 EBADRP C[C@H](CNC(=O)COCC[NH+](C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001285652688 819708154 /nfs/dbraw/zinc/70/81/54/819708154.db2.gz OOJVOHKEDNWTHE-MGPQQGTHSA-N 2 0 328.457 -0.474 20 0 EBADRP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+](CCn3cccn3)C[C@H]2O)CCC1 ZINC001099872427 819809928 /nfs/dbraw/zinc/80/99/28/819809928.db2.gz UGSLNOOPUPBDFD-LSDHHAIUSA-N 2 0 335.452 -0.081 20 0 EBADRP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+](CCn3cccn3)C[C@@H]2O)CCC1 ZINC001099872425 819810319 /nfs/dbraw/zinc/81/03/19/819810319.db2.gz UGSLNOOPUPBDFD-GJZGRUSLSA-N 2 0 335.452 -0.081 20 0 EBADRP Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)C3(C[NH+](C)C)CC3)[C@@H](O)C2)cn1 ZINC001099971956 819975437 /nfs/dbraw/zinc/97/54/37/819975437.db2.gz OQKGCYVBFFBXBM-HOTGVXAUSA-N 2 0 349.479 -0.144 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](CCn3cccn3)C[C@H]2O)CC1 ZINC001099972349 819977086 /nfs/dbraw/zinc/97/70/86/819977086.db2.gz VKLVOWGSPAKPKC-HUUCEWRRSA-N 2 0 335.452 -0.224 20 0 EBADRP Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)cn1 ZINC001099973429 819978080 /nfs/dbraw/zinc/97/80/80/819978080.db2.gz CUPNZIZSTWYQAZ-CVEARBPZSA-N 2 0 337.468 -0.144 20 0 EBADRP Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099975004 819979122 /nfs/dbraw/zinc/97/91/22/819979122.db2.gz XLJSVEPEFPJVQZ-JKSUJKDBSA-N 2 0 337.468 -0.144 20 0 EBADRP Cc1noc(CCC[N@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C2)n1 ZINC001099985478 819990530 /nfs/dbraw/zinc/99/05/30/819990530.db2.gz CTAYENFIAGHSIL-ZIAGYGMSSA-N 2 0 339.440 -0.186 20 0 EBADRP CCOCC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001100050691 820125293 /nfs/dbraw/zinc/12/52/93/820125293.db2.gz LOGXHRIXPJEUTF-HOTGVXAUSA-N 2 0 343.468 -0.315 20 0 EBADRP CC(C)OCC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074619 820165765 /nfs/dbraw/zinc/16/57/65/820165765.db2.gz QBPCVKZFGVHCRB-CABCVRRESA-N 2 0 331.457 -0.459 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@H+](CCOC2CCC2)C[C@@H]1O ZINC001100076850 820172263 /nfs/dbraw/zinc/17/22/63/820172263.db2.gz SOPRWCSYBBXHAF-HOTGVXAUSA-N 2 0 343.468 -0.315 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCn2cncn2)C[C@@H]1O ZINC001100083577 820183920 /nfs/dbraw/zinc/18/39/20/820183920.db2.gz UIAZJIUQKAYCFQ-GJZGRUSLSA-N 2 0 338.456 -0.439 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCOCCO)C[C@H]1O ZINC001100083223 820184464 /nfs/dbraw/zinc/18/44/64/820184464.db2.gz OSJIXPVVGPGCEI-LSDHHAIUSA-N 2 0 331.457 -0.721 20 0 EBADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O ZINC001100127072 820260551 /nfs/dbraw/zinc/26/05/51/820260551.db2.gz RTLNUYMLLIEKCN-HZPDHXFCSA-N 2 0 343.468 -0.577 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC(=O)Nc2cnccn2)C1 ZINC001100185487 820306719 /nfs/dbraw/zinc/30/67/19/820306719.db2.gz CHBWSZPURMICTJ-JXQTWKCFSA-N 2 0 346.435 -0.006 20 0 EBADRP CC(C)[C@@H](C(=O)NCC1CC([NH2+]Cc2nc(=O)n(C)[nH]2)C1)[NH+](C)C ZINC001100426649 820417527 /nfs/dbraw/zinc/41/75/27/820417527.db2.gz TXDUHKDTWNCDRD-YIZWMMSDSA-N 2 0 338.456 -0.321 20 0 EBADRP C[C@H]([NH2+]C1CC(CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1)C(N)=O ZINC001100443534 820423729 /nfs/dbraw/zinc/42/37/29/820423729.db2.gz MILPSUVLXUXNOT-HSBZDZAISA-N 2 0 340.468 -0.297 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CCOCCO)C2)C1 ZINC001100605917 820484360 /nfs/dbraw/zinc/48/43/60/820484360.db2.gz ZWNCIRPFOVTQMY-GPANFISMSA-N 2 0 343.468 -0.411 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC2CC([NH2+][C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001100617401 820488984 /nfs/dbraw/zinc/48/89/84/820488984.db2.gz SJCLVGOBFJNGQP-BPCQOVAHSA-N 2 0 336.436 -0.382 20 0 EBADRP C[NH+](C)CCC(=O)NCC1CC([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001100636894 820495991 /nfs/dbraw/zinc/49/59/91/820495991.db2.gz QJKXMQAHXNTERD-UHFFFAOYSA-N 2 0 336.440 -0.256 20 0 EBADRP C[NH+](C)CCC(=O)NCC1CC([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001100638416 820497833 /nfs/dbraw/zinc/49/78/33/820497833.db2.gz KIXWUIQUASMOIE-UHFFFAOYSA-N 2 0 339.440 -0.636 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1 ZINC001100676130 820507273 /nfs/dbraw/zinc/50/72/73/820507273.db2.gz ICVXSZFQHUVNPL-HSBZDZAISA-N 2 0 346.497 -0.496 20 0 EBADRP CCCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100871068 820585561 /nfs/dbraw/zinc/58/55/61/820585561.db2.gz ZTIDAWSDDVORKQ-WLYUNCDWSA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@H]([NH2+]C1CC(CNC(=O)C23CC[NH+](CC2)C3)C1)C(=O)NC(N)=O ZINC001100873234 820586316 /nfs/dbraw/zinc/58/63/16/820586316.db2.gz YQVIGFDJVGMFHE-UNXYVOJBSA-N 2 0 337.424 -0.850 20 0 EBADRP CS(=O)(=O)CC[NH2+]C1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001100874328 820586959 /nfs/dbraw/zinc/58/69/59/820586959.db2.gz APWWHAZIAYDEMX-UHFFFAOYSA-N 2 0 329.466 -0.389 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+]C[C@H](O)COCCOC)C1 ZINC001100901536 820594792 /nfs/dbraw/zinc/59/47/92/820594792.db2.gz BMYCHNKRQQHXRN-GPANFISMSA-N 2 0 345.484 -0.164 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001100905103 820595231 /nfs/dbraw/zinc/59/52/31/820595231.db2.gz WOUSNUYRJKAGSN-PNESKVBLSA-N 2 0 341.456 -0.343 20 0 EBADRP CNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001100986598 820632692 /nfs/dbraw/zinc/63/26/92/820632692.db2.gz WKHJJHJNTBJPIY-HSBZDZAISA-N 2 0 326.441 -0.815 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1CC([NH2+]CCOCCO)C1 ZINC001100986620 820634135 /nfs/dbraw/zinc/63/41/35/820634135.db2.gz XCMUKJOFBRETEZ-QQFBHYJXSA-N 2 0 343.468 -0.552 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@H]2C[N@H+](CC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC001101397986 820779294 /nfs/dbraw/zinc/77/92/94/820779294.db2.gz QYYSDTZFQJQXGB-WBMJQRKESA-N 2 0 339.440 -0.697 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001295051729 821042573 /nfs/dbraw/zinc/04/25/73/821042573.db2.gz KGJIQZIRGPGIIZ-HNNXBMFYSA-N 2 0 340.468 -0.377 20 0 EBADRP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102292366 821060508 /nfs/dbraw/zinc/06/05/08/821060508.db2.gz KOYSBMASRNNUGF-CHWSQXEVSA-N 2 0 341.456 -0.532 20 0 EBADRP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292575 821060673 /nfs/dbraw/zinc/06/06/73/821060673.db2.gz UBNSSDDQOLMWSW-MCIONIFRSA-N 2 0 338.452 -0.183 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102295326 821061113 /nfs/dbraw/zinc/06/11/13/821061113.db2.gz DMUISKMZAQZFOA-JHJVBQTASA-N 2 0 341.456 -0.404 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320492 821070178 /nfs/dbraw/zinc/07/01/78/821070178.db2.gz FJRXBNVOVQHVRF-JHJVBQTASA-N 2 0 341.456 -0.534 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001103999743 821385406 /nfs/dbraw/zinc/38/54/06/821385406.db2.gz JYTOTIZAYSPNLB-JHJVBQTASA-N 2 0 339.440 -0.650 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105272426 821660544 /nfs/dbraw/zinc/66/05/44/821660544.db2.gz LETOTMPEQAPUAQ-UHFFFAOYSA-N 2 0 338.456 -0.136 20 0 EBADRP CN(C(=O)C1([NH+](C)C)CCC1)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001299368104 821684147 /nfs/dbraw/zinc/68/41/47/821684147.db2.gz OVFOEKWDIZWEGW-UHFFFAOYSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001105361083 821718339 /nfs/dbraw/zinc/71/83/39/821718339.db2.gz QIWTVQSGXDJNON-GFCCVEGCSA-N 2 0 334.424 -0.772 20 0 EBADRP C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)CCCC[NH+](C)C)C2)nn1 ZINC001105362647 821720025 /nfs/dbraw/zinc/72/00/25/821720025.db2.gz GPPQSKTVEJCWBE-ZDUSSCGKSA-N 2 0 338.456 -0.136 20 0 EBADRP CCNC(=O)NC(=O)C[N@H+](C)CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001316850289 821886792 /nfs/dbraw/zinc/88/67/92/821886792.db2.gz DLFWELVOBJVTSJ-CYBMUJFWSA-N 2 0 341.456 -0.388 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001317056042 821986680 /nfs/dbraw/zinc/98/66/80/821986680.db2.gz PLSBSQDFRTYGEQ-GJZGRUSLSA-N 2 0 326.441 -0.576 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001317071971 821994323 /nfs/dbraw/zinc/99/43/23/821994323.db2.gz CQNJXBDJUPJAIU-IHRRRGAJSA-N 2 0 346.497 -0.401 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001317104906 822004341 /nfs/dbraw/zinc/00/43/41/822004341.db2.gz KQVCPUPQRZGVBV-XQLPTFJDSA-N 2 0 340.468 -0.141 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001317111544 822006327 /nfs/dbraw/zinc/00/63/27/822006327.db2.gz HJHHWYYOLWSIGT-CRWXNKLISA-N 2 0 336.436 -0.097 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001317114948 822008198 /nfs/dbraw/zinc/00/81/98/822008198.db2.gz HOPGPWXEMHNOFS-XHSDSOJGSA-N 2 0 340.468 -0.140 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001105941915 822013327 /nfs/dbraw/zinc/01/33/27/822013327.db2.gz QAJHJRJQDBPCPG-RBSFLKMASA-N 2 0 337.468 -0.210 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CCCO)C1 ZINC001317289039 822065721 /nfs/dbraw/zinc/06/57/21/822065721.db2.gz HWDAXDHCPIXEQX-CABCVRRESA-N 2 0 340.468 -0.593 20 0 EBADRP C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCNS(C)(=O)=O ZINC001317413587 822103683 /nfs/dbraw/zinc/10/36/83/822103683.db2.gz YTIYPXGERVDNOW-LBPRGKRZSA-N 2 0 332.470 -0.884 20 0 EBADRP CN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)C1([NH+](C)C)CCC1 ZINC001317595947 822170581 /nfs/dbraw/zinc/17/05/81/822170581.db2.gz MITBYQNDZGIUNB-UHFFFAOYSA-N 2 0 326.441 -0.623 20 0 EBADRP CN(CC[NH2+]CC(=O)NC(=O)NC1CC1)C(=O)C12CC[NH+](CC1)C2 ZINC001317656115 822194497 /nfs/dbraw/zinc/19/44/97/822194497.db2.gz XXNXLBLNWDUDDB-UHFFFAOYSA-N 2 0 337.424 -0.882 20 0 EBADRP CC[C@H](C(=O)NCC1C[NH+](CCCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001318131316 822261578 /nfs/dbraw/zinc/26/15/78/822261578.db2.gz ZHHHVXIZRBKMMA-CYBMUJFWSA-N 2 0 339.440 -0.684 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC001106622983 822301988 /nfs/dbraw/zinc/30/19/88/822301988.db2.gz AWLAMYSOPQNDQE-OAGGEKHMSA-N 2 0 337.468 -0.120 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001128527861 828470116 /nfs/dbraw/zinc/47/01/16/828470116.db2.gz DKTSWAYPBGBFCD-RYUDHWBXSA-N 2 0 347.435 -0.394 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001128534444 828471122 /nfs/dbraw/zinc/47/11/22/828471122.db2.gz YAMVLCRAOGZBKV-KBPBESRZSA-N 2 0 346.447 -0.333 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NCC ZINC001128774145 828524203 /nfs/dbraw/zinc/52/42/03/828524203.db2.gz MUUMMVUTDOPYII-STQMWFEESA-N 2 0 341.456 -0.199 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001128773798 828524570 /nfs/dbraw/zinc/52/45/70/828524570.db2.gz DYEBEICPXDXRHE-CABCVRRESA-N 2 0 340.468 -0.138 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001128786124 828526406 /nfs/dbraw/zinc/52/64/06/828526406.db2.gz RSCWFCQFCPIRIU-LBPRGKRZSA-N 2 0 325.413 -0.882 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001128786851 828527046 /nfs/dbraw/zinc/52/70/46/828527046.db2.gz XDWXVAQHMAWCJA-AWEZNQCLSA-N 2 0 348.513 -0.152 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001128783082 828527138 /nfs/dbraw/zinc/52/71/38/828527138.db2.gz FDRPGXLWMVDNBG-CYBMUJFWSA-N 2 0 339.440 -0.492 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001107040962 823720659 /nfs/dbraw/zinc/72/06/59/823720659.db2.gz UWDNMUOIVHNZRL-CHWSQXEVSA-N 2 0 341.456 -0.534 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129329648 828598436 /nfs/dbraw/zinc/59/84/36/828598436.db2.gz ZDAFTTXSXHIRFM-CHWSQXEVSA-N 2 0 341.456 -0.486 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129329650 828598905 /nfs/dbraw/zinc/59/89/05/828598905.db2.gz ZDAFTTXSXHIRFM-OLZOCXBDSA-N 2 0 341.456 -0.486 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129339561 828600930 /nfs/dbraw/zinc/60/09/30/828600930.db2.gz GPMIVURHBZCQDR-GFCCVEGCSA-N 2 0 327.429 -0.874 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCOC)C[C@@H]1n1ccnn1 ZINC001129369705 828606866 /nfs/dbraw/zinc/60/68/66/828606866.db2.gz DPMRNSAQGNJBCK-CABCVRRESA-N 2 0 338.456 -0.002 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001129358654 828604615 /nfs/dbraw/zinc/60/46/15/828604615.db2.gz VXGFHDMXADCDSA-ZDUSSCGKSA-N 2 0 326.441 -0.576 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129358758 828604639 /nfs/dbraw/zinc/60/46/39/828604639.db2.gz WWTMKEGMKJWKCS-UHFFFAOYSA-N 2 0 341.456 -0.342 20 0 EBADRP O=C(NCC[NH2+]CCOCCO)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129363054 828604863 /nfs/dbraw/zinc/60/48/63/828604863.db2.gz FBIVGWSFAUDHLD-HNNXBMFYSA-N 2 0 329.441 -0.656 20 0 EBADRP O=C(NCC[NH2+][C@@H]1CCCNC1=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364160 828606300 /nfs/dbraw/zinc/60/63/00/828606300.db2.gz QFWNCIPSMQKAMT-CABCVRRESA-N 2 0 338.452 -0.386 20 0 EBADRP CCOCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129369952 828607884 /nfs/dbraw/zinc/60/78/84/828607884.db2.gz KXUXTRZWGLMMQH-CABCVRRESA-N 2 0 338.456 -0.002 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]CC[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC001129437147 828620249 /nfs/dbraw/zinc/62/02/49/828620249.db2.gz VYTLTCMPVWUULP-JSGCOSHPSA-N 2 0 331.482 -0.143 20 0 EBADRP C[N@H+](CC(=O)NCC[NH2+]CC(=O)NCc1cccnc1)C1CCC1 ZINC001129526416 828631216 /nfs/dbraw/zinc/63/12/16/828631216.db2.gz GAKUDXAHEOGCEQ-UHFFFAOYSA-N 2 0 333.436 -0.112 20 0 EBADRP CN(CC[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)S(C)(=O)=O ZINC001129840450 828680599 /nfs/dbraw/zinc/68/05/99/828680599.db2.gz GHNGSFWWIHGMKD-ZDUSSCGKSA-N 2 0 334.486 -0.542 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)C1 ZINC001130006178 828713459 /nfs/dbraw/zinc/71/34/59/828713459.db2.gz WWIWKBISTJAZFY-KFWWJZLASA-N 2 0 336.440 -0.656 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+][C@@H](C)COC)[C@@H](n2ccnn2)C1 ZINC001130047888 828722199 /nfs/dbraw/zinc/72/21/99/828722199.db2.gz YHORRYPJCGMMDB-ZNMIVQPWSA-N 2 0 338.456 -0.004 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130169849 828743053 /nfs/dbraw/zinc/74/30/53/828743053.db2.gz HOXTVNKDBVLAPI-UHFFFAOYSA-N 2 0 340.468 -0.279 20 0 EBADRP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137392 828738719 /nfs/dbraw/zinc/73/87/19/828738719.db2.gz XEJLCLFRYYHDCK-KFWWJZLASA-N 2 0 338.456 -0.005 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC(C)C)[NH+](C)C ZINC001130201254 828754076 /nfs/dbraw/zinc/75/40/76/828754076.db2.gz ZMILSGZVAWXZAP-VXGBXAGGSA-N 2 0 329.445 -0.345 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F)[NH+](C)C ZINC001130203703 828754878 /nfs/dbraw/zinc/75/48/78/828754878.db2.gz UGOZSZLBWOKZJG-GHMZBOCLSA-N 2 0 329.363 -0.028 20 0 EBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130231863 828761339 /nfs/dbraw/zinc/76/13/39/828761339.db2.gz ILZCKKDSEYLSQC-UHFFFAOYSA-N 2 0 342.484 -0.177 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C)s1 ZINC001130297222 828776687 /nfs/dbraw/zinc/77/66/87/828776687.db2.gz JDYZGFZWWAYVPV-LLVKDONJSA-N 2 0 340.453 -0.025 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130298252 828777152 /nfs/dbraw/zinc/77/71/52/828777152.db2.gz ZOOJBEZWZIAVLC-CYBMUJFWSA-N 2 0 334.486 -0.494 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130303868 828778099 /nfs/dbraw/zinc/77/80/99/828778099.db2.gz MRWLXOGTAZYNRB-CYBMUJFWSA-N 2 0 341.456 -0.342 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001130419257 828827874 /nfs/dbraw/zinc/82/78/74/828827874.db2.gz RLGOJBXCZIIUKE-ZDUSSCGKSA-N 2 0 328.457 -0.282 20 0 EBADRP C[N@H+](CC(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](O)Cn3cccn3)C[C@H]21)C1CCC1 ZINC001114415983 826240466 /nfs/dbraw/zinc/24/04/66/826240466.db2.gz FRFVNDZREXDONY-CBZIJGRNSA-N 2 0 347.463 -0.225 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001179925283 833026765 /nfs/dbraw/zinc/02/67/65/833026765.db2.gz OGQKURPLTCKAEW-AVGNSLFASA-N 2 0 339.440 -0.637 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCN(C)S(C)(=O)=O)[C@@H]1C ZINC001179987155 833031633 /nfs/dbraw/zinc/03/16/33/833031633.db2.gz MTBHURYIGDSNFM-KBPBESRZSA-N 2 0 348.513 -0.201 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001179983393 833031686 /nfs/dbraw/zinc/03/16/86/833031686.db2.gz ZQJNNPAVEUGCIL-AVGNSLFASA-N 2 0 341.456 -0.119 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3C[N@H+](CCNC(=O)C4CC4)C[C@H]32)CC1 ZINC001114741382 826331106 /nfs/dbraw/zinc/33/11/06/826331106.db2.gz ODGWPZACIPORJB-FICVDOATSA-N 2 0 334.464 -0.099 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3C[N@H+](CCN4C(=O)CCC4=O)C[C@H]32)CC1 ZINC001114744113 826331639 /nfs/dbraw/zinc/33/16/39/826331639.db2.gz WXBZHAHVLJMXQG-VIKVFOODSA-N 2 0 348.447 -0.476 20 0 EBADRP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114772835 826338992 /nfs/dbraw/zinc/33/89/92/826338992.db2.gz UAIMLWMEYPEDRU-TTZDDIAXSA-N 2 0 340.468 -0.474 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CCNC(=O)C4CC4)C[C@H]32)C1 ZINC001114832429 826350797 /nfs/dbraw/zinc/35/07/97/826350797.db2.gz RHSJQHKYLVZVNJ-MKVSYHDVSA-N 2 0 334.464 -0.099 20 0 EBADRP C[C@H]1[C@@H]([NH2+]C[C@H](O)Cn2cccn2)CCN1C(=O)C[NH+]1CCCC1 ZINC001180132253 833045292 /nfs/dbraw/zinc/04/52/92/833045292.db2.gz ZUMYMNIZFRJRJC-JYJNAYRXSA-N 2 0 335.452 -0.081 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)Nc2cnccn2)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001180124726 833045561 /nfs/dbraw/zinc/04/55/61/833045561.db2.gz PDJYQYRMMXQALS-MJBXVCDLSA-N 2 0 346.435 -0.054 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001115001098 826397065 /nfs/dbraw/zinc/39/70/65/826397065.db2.gz RWZHTMDDWJMAFL-AIANPOQGSA-N 2 0 335.452 -0.368 20 0 EBADRP CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)COCC[NH+](C)C)C1=O ZINC001115126195 826428194 /nfs/dbraw/zinc/42/81/94/826428194.db2.gz JWGBUTZVAFSVRM-KNCOVGOOSA-N 2 0 338.452 -0.768 20 0 EBADRP CC(C)N(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126529 826428400 /nfs/dbraw/zinc/42/84/00/826428400.db2.gz PGNBSZWFRUIZNE-HALDLXJZSA-N 2 0 340.468 -0.522 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001115152891 826433917 /nfs/dbraw/zinc/43/39/17/826433917.db2.gz WPOUWEXPKYHYQS-AIANPOQGSA-N 2 0 335.452 -0.368 20 0 EBADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115297266 826500191 /nfs/dbraw/zinc/50/01/91/826500191.db2.gz BOORGLAASMVWGF-OEUWWYETSA-N 2 0 348.447 -0.286 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001180260223 833064767 /nfs/dbraw/zinc/06/47/67/833064767.db2.gz VKNXTQKLXJLKET-ZDUSSCGKSA-N 2 0 341.456 -0.340 20 0 EBADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)N[C@@H]3CCOC3)CC2)CC1 ZINC001117141509 826693132 /nfs/dbraw/zinc/69/31/32/826693132.db2.gz VMNNCWCEXGIIEF-CQSZACIVSA-N 2 0 338.452 -0.434 20 0 EBADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001117316623 826718503 /nfs/dbraw/zinc/71/85/03/826718503.db2.gz CQYPOXDVYHSMFR-HNNXBMFYSA-N 2 0 339.484 -0.851 20 0 EBADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001118553594 826958547 /nfs/dbraw/zinc/95/85/47/826958547.db2.gz VHBKEBQNQBBVML-AWEZNQCLSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001119295125 827098214 /nfs/dbraw/zinc/09/82/14/827098214.db2.gz RCVMBPLGBHPUCY-JSGCOSHPSA-N 2 0 326.441 -0.401 20 0 EBADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC001119352572 827100567 /nfs/dbraw/zinc/10/05/67/827100567.db2.gz DBAWCCPKQNJKQZ-GJZGRUSLSA-N 2 0 338.452 -0.435 20 0 EBADRP CO[C@@H](C[NH3+])C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001119355508 827101367 /nfs/dbraw/zinc/10/13/67/827101367.db2.gz UIDMCFFFUJHQPC-HNNXBMFYSA-N 2 0 340.468 -0.199 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCCO1 ZINC001119403646 827105046 /nfs/dbraw/zinc/10/50/46/827105046.db2.gz MKSZESWQXIRHIZ-MCIONIFRSA-N 2 0 326.441 -0.543 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)C[C@H]1[NH3+] ZINC001119637020 827129536 /nfs/dbraw/zinc/12/95/36/827129536.db2.gz XGUISWXKGWUPHF-UKRRQHHQSA-N 2 0 337.468 -0.970 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001120420328 827216031 /nfs/dbraw/zinc/21/60/31/827216031.db2.gz JOWBLWPFLVUYIE-MJBXVCDLSA-N 2 0 326.441 -0.578 20 0 EBADRP CCCN(C(=O)C(=O)NC[C@@H](C[NH+](C)C)OCC)[C@@H]1CC[NH2+]C1 ZINC001120444768 827223733 /nfs/dbraw/zinc/22/37/33/827223733.db2.gz ZZIWBJLOCZRRJJ-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCc2nnc3n2CCCC3)CC1 ZINC001120504124 827235918 /nfs/dbraw/zinc/23/59/18/827235918.db2.gz HSENAKOZOTWUHV-HNNXBMFYSA-N 2 0 336.484 -0.255 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001181652683 833170371 /nfs/dbraw/zinc/17/03/71/833170371.db2.gz OOHCTIYYEFHMBD-CHWSQXEVSA-N 2 0 339.440 -0.493 20 0 EBADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001121952742 827490376 /nfs/dbraw/zinc/49/03/76/827490376.db2.gz LWQOESIEAMJGKG-CZUORRHYSA-N 2 0 327.425 -0.509 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@H](C)O1 ZINC001121983066 827495173 /nfs/dbraw/zinc/49/51/73/827495173.db2.gz WMESKERLZYBTQN-MJBXVCDLSA-N 2 0 338.452 -0.578 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2C[NH2+]CCN2C)CC1 ZINC001121996090 827499078 /nfs/dbraw/zinc/49/90/78/827499078.db2.gz CMGQSAWZOUPWAY-BBWFWOEESA-N 2 0 337.512 -0.093 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]2C[NH2+]CCN2C)CC1 ZINC001121996094 827499149 /nfs/dbraw/zinc/49/91/49/827499149.db2.gz CMGQSAWZOUPWAY-IXDOHACOSA-N 2 0 337.512 -0.093 20 0 EBADRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC001123484284 827711519 /nfs/dbraw/zinc/71/15/19/827711519.db2.gz PZLKGZUVHVBETQ-DLBZAZTESA-N 2 0 335.496 -0.385 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)COCc1ccco1 ZINC001124867124 827969630 /nfs/dbraw/zinc/96/96/30/827969630.db2.gz SGFXEUZYSJYSDL-DZGCQCFKSA-N 2 0 325.409 -0.043 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC001124866833 827969862 /nfs/dbraw/zinc/96/98/62/827969862.db2.gz LRHNMDBDKUJKRF-LBPRGKRZSA-N 2 0 339.440 -0.493 20 0 EBADRP COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124879432 827973972 /nfs/dbraw/zinc/97/39/72/827973972.db2.gz UAGYLVUSKGXSSJ-ZDUSSCGKSA-N 2 0 335.470 -0.762 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001183038623 833277606 /nfs/dbraw/zinc/27/76/06/833277606.db2.gz DXBIHQKOQBISRH-VXGBXAGGSA-N 2 0 325.413 -0.754 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001183229592 833284362 /nfs/dbraw/zinc/28/43/62/833284362.db2.gz ODBJXIVYMOPCHQ-GFCCVEGCSA-N 2 0 339.440 -0.493 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCCS(C)(=O)=O)C1)C1CC1 ZINC001183267280 833285080 /nfs/dbraw/zinc/28/50/80/833285080.db2.gz LUQBGYQESITICJ-KGLIPLIRSA-N 2 0 331.482 -0.048 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1)C(=O)NC(N)=O ZINC001183288703 833285628 /nfs/dbraw/zinc/28/56/28/833285628.db2.gz LBNHXJUDMUGXOP-GHMZBOCLSA-N 2 0 325.413 -0.755 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001183392565 833289117 /nfs/dbraw/zinc/28/91/17/833289117.db2.gz YDQZMJVTCLGXGA-VXGBXAGGSA-N 2 0 325.413 -0.754 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)C1)[NH+](C)C ZINC001183582411 833296255 /nfs/dbraw/zinc/29/62/55/833296255.db2.gz YBOHAJBJHBUKQF-ZIAGYGMSSA-N 2 0 348.513 -0.201 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCOCCNC(C)=O)C1)[NH+](C)C ZINC001183581450 833296307 /nfs/dbraw/zinc/29/63/07/833296307.db2.gz JKNDHMLFRPFHDH-HUUCEWRRSA-N 2 0 328.457 -0.330 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001127065602 828246413 /nfs/dbraw/zinc/24/64/13/828246413.db2.gz BVEFYJNJZXIHDT-UONOGXRCSA-N 2 0 331.482 0.000 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001127065603 828246945 /nfs/dbraw/zinc/24/69/45/828246945.db2.gz BVEFYJNJZXIHDT-ZIAGYGMSSA-N 2 0 331.482 0.000 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001127066453 828247580 /nfs/dbraw/zinc/24/75/80/828247580.db2.gz OVGCWXXCDWQANK-GJZGRUSLSA-N 2 0 340.468 -0.452 20 0 EBADRP O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127257514 828269757 /nfs/dbraw/zinc/26/97/57/828269757.db2.gz ZABAMIOUYGRSSL-CHWSQXEVSA-N 2 0 337.424 -0.882 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001127327661 828279116 /nfs/dbraw/zinc/27/91/16/828279116.db2.gz SXRXJEIOYPORMY-GFCCVEGCSA-N 2 0 341.456 -0.199 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127466631 828296320 /nfs/dbraw/zinc/29/63/20/828296320.db2.gz VQZDRXGRMHHORN-ZFWWWQNUSA-N 2 0 340.468 -0.425 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)Nc1nncs1 ZINC001127474156 828296664 /nfs/dbraw/zinc/29/66/64/828296664.db2.gz HUZCTGCIIFDEMH-LLVKDONJSA-N 2 0 338.437 -0.476 20 0 EBADRP O=C(NCC[NH2+]C[C@H](O)CN1CCCC1=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127481422 828297659 /nfs/dbraw/zinc/29/76/59/828297659.db2.gz UBPFMGBSXVXSQT-GJZGRUSLSA-N 2 0 338.452 -0.983 20 0 EBADRP O=C(NCC[NH2+]CC1CCS(=O)(=O)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001127481188 828297911 /nfs/dbraw/zinc/29/79/11/828297911.db2.gz QQZWAZJFDXWRHW-HNNXBMFYSA-N 2 0 343.493 -0.141 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127481052 828298008 /nfs/dbraw/zinc/29/80/08/828298008.db2.gz OASYUVWHXJKHAL-OAHLLOKOSA-N 2 0 326.441 -0.813 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCOCC2)CC[N@@H+]1C ZINC001127695586 828315640 /nfs/dbraw/zinc/31/56/40/828315640.db2.gz QOUOFILXGGETNO-UONOGXRCSA-N 2 0 326.441 -0.719 20 0 EBADRP CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC1 ZINC001127760200 828320765 /nfs/dbraw/zinc/32/07/65/828320765.db2.gz GIMNJRPFMFPEQJ-CABCVRRESA-N 2 0 338.452 -0.434 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCCCC1 ZINC001127778488 828326058 /nfs/dbraw/zinc/32/60/58/828326058.db2.gz GAUFUIBFELDOIP-HUUCEWRRSA-N 2 0 338.452 -0.432 20 0 EBADRP NC(=O)c1cccc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC001127779713 828328101 /nfs/dbraw/zinc/32/81/01/828328101.db2.gz QWZNVESTXBCSAI-HOTGVXAUSA-N 2 0 346.431 -0.146 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NCC1CCC1 ZINC001127780449 828329556 /nfs/dbraw/zinc/32/95/56/828329556.db2.gz ZBBANFASHFJHHE-CABCVRRESA-N 2 0 338.452 -0.528 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001130556494 828881276 /nfs/dbraw/zinc/88/12/76/828881276.db2.gz KDSKWHGHYWKYEX-UHFFFAOYSA-N 2 0 336.396 -0.931 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(=O)NC(N)=O ZINC001130622307 828902592 /nfs/dbraw/zinc/90/25/92/828902592.db2.gz CELINNCWLOZTAY-NSHDSACASA-N 2 0 341.456 -0.071 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2[NH2+][C@H]2CCNC2=O)c1 ZINC001130670313 828910795 /nfs/dbraw/zinc/91/07/95/828910795.db2.gz WYLQUBGGVUWXEQ-KCQAQPDRSA-N 2 0 348.451 -0.856 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001130710794 828921159 /nfs/dbraw/zinc/92/11/59/828921159.db2.gz FMJNERQKMOLGEZ-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP O=C(NCC[NH2+]C[C@H](O)Cn1cccn1)c1ccn2c[nH+]cc2c1 ZINC001130874857 828986031 /nfs/dbraw/zinc/98/60/31/828986031.db2.gz QSXHRCHVRBQDCX-HNNXBMFYSA-N 2 0 328.376 -0.089 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185229383 833350478 /nfs/dbraw/zinc/35/04/78/833350478.db2.gz DODAPANEXKAROO-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185230666 833350575 /nfs/dbraw/zinc/35/05/75/833350575.db2.gz ZDMLKEIDRCQDII-GFCCVEGCSA-N 2 0 339.440 -0.636 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185249219 833351464 /nfs/dbraw/zinc/35/14/64/833351464.db2.gz RJQHYZIJWRADTC-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1 ZINC001131115480 829046004 /nfs/dbraw/zinc/04/60/04/829046004.db2.gz OICFTJRVCMMENI-CHWSQXEVSA-N 2 0 336.440 -0.869 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+][C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)CCO1 ZINC001185265127 833352929 /nfs/dbraw/zinc/35/29/29/833352929.db2.gz MDJKENBGUXFCBZ-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CCOC(=O)C1(NC(=O)[C@@H]2C[N@H+](C)CCN2C)CC[NH+](C)CC1 ZINC001185261815 833353110 /nfs/dbraw/zinc/35/31/10/833353110.db2.gz HSQQIROEEVYAPP-ZDUSSCGKSA-N 2 0 326.441 -0.624 20 0 EBADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185384306 833357311 /nfs/dbraw/zinc/35/73/11/833357311.db2.gz APUBXXMOUPSTQD-CVEARBPZSA-N 2 0 343.468 -0.457 20 0 EBADRP C[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CC1 ZINC001185385799 833357340 /nfs/dbraw/zinc/35/73/40/833357340.db2.gz UUENHJFRTNCBLI-CYBMUJFWSA-N 2 0 332.470 -0.932 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001185401193 833357986 /nfs/dbraw/zinc/35/79/86/833357986.db2.gz MJYRQVPZXTVUKF-GFCCVEGCSA-N 2 0 339.440 -0.541 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001185408381 833358005 /nfs/dbraw/zinc/35/80/05/833358005.db2.gz QTCKKBRYMODUJV-CQSZACIVSA-N 2 0 331.482 -0.047 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131370962 829116550 /nfs/dbraw/zinc/11/65/50/829116550.db2.gz YTXKLDASDCWZTN-UHFFFAOYSA-N 2 0 332.364 -0.501 20 0 EBADRP O=C(C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1)NC[C@H]1CCCO1 ZINC001131370600 829116728 /nfs/dbraw/zinc/11/67/28/829116728.db2.gz OTXUEBMIEGJWSI-OAHLLOKOSA-N 2 0 345.403 -0.051 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1)[NH+](CC)CC ZINC001185609081 833363225 /nfs/dbraw/zinc/36/32/25/833363225.db2.gz CRSIEBDPFODJJO-OLZOCXBDSA-N 2 0 341.456 -0.247 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1)[NH+](C)C ZINC001185715691 833367832 /nfs/dbraw/zinc/36/78/32/833367832.db2.gz JEYMBBXQYZESAP-KFWWJZLASA-N 2 0 340.468 -0.330 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1)[NH+](C)C ZINC001185716061 833367983 /nfs/dbraw/zinc/36/79/83/833367983.db2.gz OTIMYZJTUBGBTP-UTUOFQBUSA-N 2 0 327.429 -0.639 20 0 EBADRP C[C@@H](O)C[NH2+]Cc1cn([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001185999455 833382325 /nfs/dbraw/zinc/38/23/25/833382325.db2.gz IIGWUGHLBLYEQI-UKRRQHHQSA-N 2 0 338.456 -0.136 20 0 EBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)C[NH+]1CC[C@@H](O)C1)CC2 ZINC001186036667 833385377 /nfs/dbraw/zinc/38/53/77/833385377.db2.gz BTYMXJBNOYUXGI-CQSZACIVSA-N 2 0 338.452 -0.744 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CC3)C2)cn1 ZINC001186234046 833393075 /nfs/dbraw/zinc/39/30/75/833393075.db2.gz DQTMGUZWARHPFN-OAHLLOKOSA-N 2 0 348.451 -0.473 20 0 EBADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC12CCOCC2)C(N)=O ZINC001186473029 833403085 /nfs/dbraw/zinc/40/30/85/833403085.db2.gz NKKMZQXOVZWOPZ-UONOGXRCSA-N 2 0 340.468 -0.343 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)C(=O)NC(N)=O ZINC001211093397 837387123 /nfs/dbraw/zinc/38/71/23/837387123.db2.gz WXCFQLTUMFGKOX-VXGBXAGGSA-N 2 0 325.413 -0.754 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CC12CCOCC2 ZINC001186481394 833403230 /nfs/dbraw/zinc/40/32/30/833403230.db2.gz OJPGZPCXUWKIED-CQSZACIVSA-N 2 0 340.468 -0.471 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+]CCNS(=O)(=O)CC)C1 ZINC001132738473 829511821 /nfs/dbraw/zinc/51/18/21/829511821.db2.gz FERWCFUMPSMODP-AWEZNQCLSA-N 2 0 348.513 -0.247 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001132738942 829513038 /nfs/dbraw/zinc/51/30/38/829513038.db2.gz KTBIOVCGUKARLR-ZDUSSCGKSA-N 2 0 339.440 -0.634 20 0 EBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1=O ZINC001132848505 829534169 /nfs/dbraw/zinc/53/41/69/829534169.db2.gz JERFJAVAGBWHEJ-ZIAGYGMSSA-N 2 0 326.441 -0.578 20 0 EBADRP CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1=O ZINC001132848502 829534963 /nfs/dbraw/zinc/53/49/63/829534963.db2.gz JERFJAVAGBWHEJ-KBPBESRZSA-N 2 0 326.441 -0.578 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001132848965 829535093 /nfs/dbraw/zinc/53/50/93/829535093.db2.gz XLARELMHETYVSD-ZIAGYGMSSA-N 2 0 347.481 -0.764 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001132852123 829536013 /nfs/dbraw/zinc/53/60/13/829536013.db2.gz IAXFRJAQULSZCH-JSGCOSHPSA-N 2 0 326.441 -0.532 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001132853357 829537717 /nfs/dbraw/zinc/53/77/17/829537717.db2.gz ZTOUHPSWLUEQEN-LSDHHAIUSA-N 2 0 339.440 -0.941 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NCC2CCC2)C1 ZINC001132858787 829538697 /nfs/dbraw/zinc/53/86/97/829538697.db2.gz JGTLUPKZEBOEKY-HNNXBMFYSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)Cc1ccoc1C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001132985933 829567497 /nfs/dbraw/zinc/56/74/97/829567497.db2.gz XDOIZRHVDMXRNB-AWEZNQCLSA-N 2 0 335.408 -0.082 20 0 EBADRP Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)C3(C[NH+](C)C)CC3)C2=O)n1 ZINC001132995519 829569215 /nfs/dbraw/zinc/56/92/15/829569215.db2.gz WPJJHVVSBGIQDP-CYBMUJFWSA-N 2 0 348.451 -0.427 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001133245761 829610207 /nfs/dbraw/zinc/61/02/07/829610207.db2.gz KKHGXNVDDQLLSA-ZIAGYGMSSA-N 2 0 328.457 -0.615 20 0 EBADRP C[NH+]1CCC(C(=O)NCC[NH2+]C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001133286998 829615746 /nfs/dbraw/zinc/61/57/46/829615746.db2.gz BNLLDKHUCHCVGF-ZDUSSCGKSA-N 2 0 331.482 -0.141 20 0 EBADRP COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133287003 829616279 /nfs/dbraw/zinc/61/62/79/829616279.db2.gz BSMIPGAWBSAWFN-DZGCQCFKSA-N 2 0 331.457 -0.554 20 0 EBADRP COc1cccc(CNC(=O)C[NH2+]CCNC(=O)CC[NH+](C)C)c1 ZINC001133291458 829617139 /nfs/dbraw/zinc/61/71/39/829617139.db2.gz QMRLMUJPWMDIPY-UHFFFAOYSA-N 2 0 336.436 -0.031 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001186816745 833430385 /nfs/dbraw/zinc/43/03/85/833430385.db2.gz GCSUFQMHEKGHFE-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)[C@H](C(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)[NH+](C)C ZINC001133419273 829630119 /nfs/dbraw/zinc/63/01/19/829630119.db2.gz KWUINHISXIFXOL-UONOGXRCSA-N 2 0 348.513 -0.440 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1)[NH+](CC)CC ZINC001133689685 829662059 /nfs/dbraw/zinc/66/20/59/829662059.db2.gz BGXDQJLRRXWAKM-CABCVRRESA-N 2 0 342.484 -0.035 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC)[NH+](CC)CC ZINC001133690101 829662205 /nfs/dbraw/zinc/66/22/05/829662205.db2.gz HWHCJHJXMOVCQW-NWDGAFQWSA-N 2 0 329.445 -0.343 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+]C[C@H](O)COCCOC)[NH+](CC)CC ZINC001133689581 829662339 /nfs/dbraw/zinc/66/23/39/829662339.db2.gz AGZORLIEYUUPAQ-LSDHHAIUSA-N 2 0 333.473 -0.164 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001133819852 829680178 /nfs/dbraw/zinc/68/01/78/829680178.db2.gz PPZSEAFVENFGGN-LLVKDONJSA-N 2 0 325.413 -0.835 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C)C(=O)Nc1ncccn1 ZINC001133819841 829680204 /nfs/dbraw/zinc/68/02/04/829680204.db2.gz PMXZJOXWLDLXSV-QWHCGFSZSA-N 2 0 334.424 -0.006 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001133845535 829684666 /nfs/dbraw/zinc/68/46/66/829684666.db2.gz IETZTHKKCHBEGV-KGLIPLIRSA-N 2 0 346.497 -0.685 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001133845370 829684892 /nfs/dbraw/zinc/68/48/92/829684892.db2.gz CZBAOYSRKJXYCF-KBPBESRZSA-N 2 0 326.441 -0.983 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001133845823 829685191 /nfs/dbraw/zinc/68/51/91/829685191.db2.gz OBVFMLKLZBDQAN-LBPRGKRZSA-N 2 0 341.456 -0.342 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001133845537 829685340 /nfs/dbraw/zinc/68/53/40/829685340.db2.gz IETZTHKKCHBEGV-ZIAGYGMSSA-N 2 0 346.497 -0.685 20 0 EBADRP COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133862050 829687903 /nfs/dbraw/zinc/68/79/03/829687903.db2.gz AJCSOUADMZXACE-ZIAGYGMSSA-N 2 0 349.497 -0.659 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)NCc1cccnc1 ZINC001133866913 829690123 /nfs/dbraw/zinc/69/01/23/829690123.db2.gz PUDGSBFKZZWSOI-UKRRQHHQSA-N 2 0 333.436 -0.399 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1nccs1 ZINC001133866078 829690151 /nfs/dbraw/zinc/69/01/51/829690151.db2.gz HGSIXSAMVQZKMO-WDEREUQCSA-N 2 0 325.438 -0.015 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)c1ccc(CC[NH+](C)C)cc1)C(=O)NC(N)=O ZINC001133890190 829694061 /nfs/dbraw/zinc/69/40/61/829694061.db2.gz JSRJYFGPBSRSCI-LBPRGKRZSA-N 2 0 349.435 -0.307 20 0 EBADRP C[NH+](C)CCc1ccc(C(=O)NCC[NH2+]CC(=O)NC(N)=O)cc1 ZINC001133893530 829694768 /nfs/dbraw/zinc/69/47/68/829694768.db2.gz IKVFNXGKGAYGGS-UHFFFAOYSA-N 2 0 335.408 -0.695 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133908417 829696912 /nfs/dbraw/zinc/69/69/12/829696912.db2.gz QHMAKUHCHUXMMQ-NSHDSACASA-N 2 0 329.445 -0.486 20 0 EBADRP C[N@H+](CC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1)CC(C)(C)C ZINC001133908313 829697435 /nfs/dbraw/zinc/69/74/35/829697435.db2.gz MHRBMSFVGLBZIH-AWEZNQCLSA-N 2 0 342.484 -0.177 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)[NH+](C)C ZINC001133966199 829707999 /nfs/dbraw/zinc/70/79/99/829707999.db2.gz XFYWMQMGQNCOEE-STQMWFEESA-N 2 0 334.486 -0.686 20 0 EBADRP C[C@H](COCC(=O)NCC[NH2+][C@H]1CCCNC1=O)[NH+]1CCCC1 ZINC001134021010 829713143 /nfs/dbraw/zinc/71/31/43/829713143.db2.gz NVWBNFFQUAVVFK-KGLIPLIRSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@@H](COCC(=O)NCC[NH2+]CCCS(C)(=O)=O)[NH+]1CCCC1 ZINC001134020446 829713416 /nfs/dbraw/zinc/71/34/16/829713416.db2.gz ASBFICBHUOMVEI-AWEZNQCLSA-N 2 0 349.497 -0.372 20 0 EBADRP C[C@H](COCC(=O)NCC[NH2+]CCN1CCCC1=O)[NH+]1CCCC1 ZINC001134021140 829713590 /nfs/dbraw/zinc/71/35/90/829713590.db2.gz RUMVLGOXRBEMCF-OAHLLOKOSA-N 2 0 340.468 -0.185 20 0 EBADRP C[C@H](COCC(=O)NCC[NH2+]CC(=O)N1CCC1)[NH+]1CCCC1 ZINC001134054242 829718823 /nfs/dbraw/zinc/71/88/23/829718823.db2.gz BRCFQCCQMCDXKN-CQSZACIVSA-N 2 0 326.441 -0.575 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001134582910 829796701 /nfs/dbraw/zinc/79/67/01/829796701.db2.gz BIJJQZFJTATMNK-QWHCGFSZSA-N 2 0 348.513 -0.107 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001134582908 829797145 /nfs/dbraw/zinc/79/71/45/829797145.db2.gz BIJJQZFJTATMNK-CHWSQXEVSA-N 2 0 348.513 -0.107 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001134767484 829840821 /nfs/dbraw/zinc/84/08/21/829840821.db2.gz YPELOFGULHMZLI-CYBMUJFWSA-N 2 0 334.486 -0.496 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134776251 829843646 /nfs/dbraw/zinc/84/36/46/829843646.db2.gz OKHVEWNFVUSFFC-LBPRGKRZSA-N 2 0 341.456 -0.342 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134782182 829845007 /nfs/dbraw/zinc/84/50/07/829845007.db2.gz ARDRQVSXEOAOMO-NSHDSACASA-N 2 0 327.429 -0.732 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135298769 829941509 /nfs/dbraw/zinc/94/15/09/829941509.db2.gz OZZADHXQPLAGQG-QWHCGFSZSA-N 2 0 348.513 -0.250 20 0 EBADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O)C(C)C ZINC001135474406 829973527 /nfs/dbraw/zinc/97/35/27/829973527.db2.gz PHVQHJGUJFSSHC-NEPJUHHUSA-N 2 0 329.445 -0.358 20 0 EBADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O)C(C)C ZINC001135478021 829974248 /nfs/dbraw/zinc/97/42/48/829974248.db2.gz TWVFIFLVRSVUEK-GXTWGEPZSA-N 2 0 326.441 -0.136 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135513737 829980227 /nfs/dbraw/zinc/98/02/27/829980227.db2.gz WVYHLOLQLDIPEQ-UHFFFAOYSA-N 2 0 329.445 -0.340 20 0 EBADRP COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135688303 830008310 /nfs/dbraw/zinc/00/83/10/830008310.db2.gz LESXCNLTKVWPOY-HOTGVXAUSA-N 2 0 345.484 -0.164 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)COCC[NH+](C)C)[NH2+]Cc1cnn(C)n1 ZINC001135924066 830047287 /nfs/dbraw/zinc/04/72/87/830047287.db2.gz POXOLABMQTUHLZ-OLZOCXBDSA-N 2 0 326.445 -0.234 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001135960109 830052813 /nfs/dbraw/zinc/05/28/13/830052813.db2.gz YUNXKNJNVGYWEO-ZDUSSCGKSA-N 2 0 347.481 -0.762 20 0 EBADRP C[C@H](C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1)CS(C)(=O)=O ZINC001135963255 830053075 /nfs/dbraw/zinc/05/30/75/830053075.db2.gz CYQCRRVLXDGDCB-CYBMUJFWSA-N 2 0 349.497 -0.516 20 0 EBADRP CCCC[C@H]([NH2+]CCNC(=O)COC1CC[NH+](C)CC1)C(N)=O ZINC001135963482 830053162 /nfs/dbraw/zinc/05/31/62/830053162.db2.gz OZOYHIRFLFQPRM-AWEZNQCLSA-N 2 0 328.457 -0.153 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001135979497 830056168 /nfs/dbraw/zinc/05/61/68/830056168.db2.gz GVIHPBXJZYOHOM-QWHCGFSZSA-N 2 0 336.502 -0.250 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001135995804 830057835 /nfs/dbraw/zinc/05/78/35/830057835.db2.gz LCFBKATYZVUBSG-RYUDHWBXSA-N 2 0 329.445 -0.214 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001211269409 837419847 /nfs/dbraw/zinc/41/98/47/837419847.db2.gz QLECOPCWHBBQTL-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(CC(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1)C(N)=[NH2+] ZINC001144137390 830159676 /nfs/dbraw/zinc/15/96/76/830159676.db2.gz SMSYAMMDLCANDZ-UHFFFAOYSA-N 2 0 334.424 -0.435 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146409599 830197299 /nfs/dbraw/zinc/19/72/99/830197299.db2.gz YLWDZOAWHQHADG-UONOGXRCSA-N 2 0 348.513 -0.106 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C1CC[NH+](CC2CC2)CC1)C(=O)NC(N)=O ZINC001147301421 830319072 /nfs/dbraw/zinc/31/90/72/830319072.db2.gz XQKPKLNBPVDBDY-NSHDSACASA-N 2 0 339.440 -0.602 20 0 EBADRP O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)C1CC[NH+](CC2CC2)CC1 ZINC001147338989 830325613 /nfs/dbraw/zinc/32/56/13/830325613.db2.gz DXJHERSUWRFFGM-AWEZNQCLSA-N 2 0 336.436 -0.381 20 0 EBADRP C[NH+](C)[C@@](C)(C(=O)NCC[NH2+]CC(=O)NC(N)=O)c1ccccc1 ZINC001147409643 830337531 /nfs/dbraw/zinc/33/75/31/830337531.db2.gz GHKCIKUEHDWVHW-MRXNPFEDSA-N 2 0 335.408 -0.636 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147836217 830418514 /nfs/dbraw/zinc/41/85/14/830418514.db2.gz ZKMDEAGADXUJNP-UONOGXRCSA-N 2 0 348.513 -0.248 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147876993 830424788 /nfs/dbraw/zinc/42/47/88/830424788.db2.gz BLDXZNYWTDHCTJ-GFCCVEGCSA-N 2 0 327.429 -0.730 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001147886344 830426055 /nfs/dbraw/zinc/42/60/55/830426055.db2.gz UXVPLHRRKBYFNP-UHFFFAOYSA-N 2 0 337.424 -0.156 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001147884935 830426252 /nfs/dbraw/zinc/42/62/52/830426252.db2.gz INJJZAQMPBQAHV-UONOGXRCSA-N 2 0 331.482 -0.141 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147885797 830426611 /nfs/dbraw/zinc/42/66/11/830426611.db2.gz PEBYGPSIYQZJOG-CYBMUJFWSA-N 2 0 334.486 -0.637 20 0 EBADRP C[C@H]1CCCC[C@@H]1NC(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147893964 830426865 /nfs/dbraw/zinc/42/68/65/830426865.db2.gz WEGLXNOKNQXVFU-GJZGRUSLSA-N 2 0 342.484 -0.035 20 0 EBADRP CC(C)CN(C(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C)C1CC1 ZINC001147892000 830426924 /nfs/dbraw/zinc/42/69/24/830426924.db2.gz GNFBXYBNUSCVHC-UHFFFAOYSA-N 2 0 342.484 -0.083 20 0 EBADRP C[C@H]1C[C@H](C)CN(C(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C)C1 ZINC001147893987 830426932 /nfs/dbraw/zinc/42/69/32/830426932.db2.gz WZBWHGPWQDEDPM-GJZGRUSLSA-N 2 0 342.484 -0.225 20 0 EBADRP Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)C[C@H]3CC[N@H+](C)C3)C2=O)n1 ZINC001147892582 830427120 /nfs/dbraw/zinc/42/71/20/830427120.db2.gz KFPGHFWPNMEYBT-ZIAGYGMSSA-N 2 0 348.451 -0.427 20 0 EBADRP CCC(C)(C)NC(=O)[C@@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147894036 830427391 /nfs/dbraw/zinc/42/73/91/830427391.db2.gz YUAJGXFICQCYSR-CYBMUJFWSA-N 2 0 330.473 -0.036 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)NC(=O)NC1CC1 ZINC001147900629 830428513 /nfs/dbraw/zinc/42/85/13/830428513.db2.gz SWJOHNRIZWXKKR-VXGBXAGGSA-N 2 0 339.440 -0.589 20 0 EBADRP O=C(NCC[NH2+]C[C@H](O)COCC(F)(F)F)C12CC[NH+](CC1)C2 ZINC001147977856 830434598 /nfs/dbraw/zinc/43/45/98/830434598.db2.gz YEHDSZHCOFBSRD-NSHDSACASA-N 2 0 339.358 -0.272 20 0 EBADRP O=C(NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1)C12CC[NH+](CC1)C2 ZINC001147999840 830436722 /nfs/dbraw/zinc/43/67/22/830436722.db2.gz FWQWRNNJPMRTNS-HUUCEWRRSA-N 2 0 341.452 -0.656 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147999687 830436741 /nfs/dbraw/zinc/43/67/41/830436741.db2.gz CLHCKXUIEKNEAU-LBPRGKRZSA-N 2 0 339.440 -0.589 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148058086 830445092 /nfs/dbraw/zinc/44/50/92/830445092.db2.gz RFBUUFXUYYYHLW-UHFFFAOYSA-N 2 0 343.453 -0.594 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001148057033 830445510 /nfs/dbraw/zinc/44/55/10/830445510.db2.gz DHCBAYKZPAKZGB-UHFFFAOYSA-N 2 0 333.392 -0.384 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CC3(C2)CC[N@@H+]([C@H]2CCC(=O)NC2=O)C3)CC1 ZINC001148160832 830450245 /nfs/dbraw/zinc/45/02/45/830450245.db2.gz MBZJMLCHMXWBGH-ZDUSSCGKSA-N 2 0 348.447 -0.332 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC2(C1)CC[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001148174437 830452568 /nfs/dbraw/zinc/45/25/68/830452568.db2.gz NUFRDMYSBDPPEE-CYBMUJFWSA-N 2 0 336.436 -0.332 20 0 EBADRP Cn1c(C[NH2+]CCNC(=O)CCCC[NH+](C)C)cc(=O)n(C)c1=O ZINC001148365181 830475280 /nfs/dbraw/zinc/47/52/80/830475280.db2.gz KJXGQJXVLSIBLG-UHFFFAOYSA-N 2 0 339.440 -0.978 20 0 EBADRP CN1CC[C@H]([N@@H+]2CCC3(CN(C(=O)COCC[NH+](C)C)C3)C2)C1=O ZINC001148611811 830518095 /nfs/dbraw/zinc/51/80/95/830518095.db2.gz OOBLKPGGHINIRU-AWEZNQCLSA-N 2 0 338.452 -0.670 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148748249 830536725 /nfs/dbraw/zinc/53/67/25/830536725.db2.gz MTCIACBVBWCUDO-RYUDHWBXSA-N 2 0 337.424 -0.944 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CCOCCO)CCCO2)CC[N@@H+]1C ZINC001149733508 830737657 /nfs/dbraw/zinc/73/76/57/830737657.db2.gz GZQDVFAXHLPOHE-BZUAXINKSA-N 2 0 343.468 -0.457 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](C[C@H](O)COC)CCCO1 ZINC001149937508 830786411 /nfs/dbraw/zinc/78/64/11/830786411.db2.gz TXEIZEGMQCEXLK-LSDHHAIUSA-N 2 0 345.484 -0.069 20 0 EBADRP COCCOCC[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240276 830845597 /nfs/dbraw/zinc/84/55/97/830845597.db2.gz DQPHQEMTMLJPHT-HNNXBMFYSA-N 2 0 331.457 -0.192 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CCOCCO)CCCO1 ZINC001150470782 830910206 /nfs/dbraw/zinc/91/02/06/830910206.db2.gz UUCOCRFCCKWWBQ-OAHLLOKOSA-N 2 0 331.457 -0.456 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@H]1C[N@H+](C[C@H](O)COC)CCCO1 ZINC001150478826 830912280 /nfs/dbraw/zinc/91/22/80/830912280.db2.gz AFSNSXBLINOANS-GJZGRUSLSA-N 2 0 331.457 -0.457 20 0 EBADRP COCCC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCN([C@H](C)C(N)=O)CC1 ZINC001151027169 831011633 /nfs/dbraw/zinc/01/16/33/831011633.db2.gz PVYXVJOWAHYYQZ-ZIAGYGMSSA-N 2 0 340.468 -0.058 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151073470 831022364 /nfs/dbraw/zinc/02/23/64/831022364.db2.gz LWJRKHICVWVBBB-VXGBXAGGSA-N 2 0 327.429 -0.733 20 0 EBADRP Cn1ccc(N2CCC[C@H]([NH2+]CCNC(=O)C[NH+]3CCCC3)C2=O)n1 ZINC001151101028 831026105 /nfs/dbraw/zinc/02/61/05/831026105.db2.gz JBBLQFHBIXYCAV-AWEZNQCLSA-N 2 0 348.451 -0.283 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001151158523 831034508 /nfs/dbraw/zinc/03/45/08/831034508.db2.gz PCSQVBLRUXYUSO-KGLIPLIRSA-N 2 0 347.481 -0.905 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001151157066 831035159 /nfs/dbraw/zinc/03/51/59/831035159.db2.gz JRZLGAXBTIRGTB-CQSZACIVSA-N 2 0 326.441 -0.717 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152224370 831143955 /nfs/dbraw/zinc/14/39/55/831143955.db2.gz VVKKHVFBYPNNQW-UHFFFAOYSA-N 2 0 328.457 -0.279 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)c1cccc(C[NH+](C)C)c1)C(=O)NC(N)=O ZINC001152245194 831144960 /nfs/dbraw/zinc/14/49/60/831144960.db2.gz CTYNHSRAUKQZRZ-LLVKDONJSA-N 2 0 335.408 -0.349 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152237832 831145106 /nfs/dbraw/zinc/14/51/06/831145106.db2.gz XORWPRPUWPXACX-LBPRGKRZSA-N 2 0 327.429 -0.588 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152348838 831154008 /nfs/dbraw/zinc/15/40/08/831154008.db2.gz RMXGYZMCSJPXEB-UHFFFAOYSA-N 2 0 348.513 -0.150 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152340487 831154242 /nfs/dbraw/zinc/15/42/42/831154242.db2.gz OZADWUNDUINNET-UHFFFAOYSA-N 2 0 328.457 -0.279 20 0 EBADRP COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152339731 831154381 /nfs/dbraw/zinc/15/43/81/831154381.db2.gz AQBPZRJMCSFVIA-JKSUJKDBSA-N 2 0 345.484 -0.019 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001152444869 831163142 /nfs/dbraw/zinc/16/31/42/831163142.db2.gz ANPCTTJWRDHPNO-OKILXGFUSA-N 2 0 328.457 -0.332 20 0 EBADRP CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152445863 831164638 /nfs/dbraw/zinc/16/46/38/831164638.db2.gz PUGNUGIQIFTXRJ-AWEZNQCLSA-N 2 0 330.473 -0.036 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152471315 831165375 /nfs/dbraw/zinc/16/53/75/831165375.db2.gz LCXQRZNRDGFHJO-INIZCTEOSA-N 2 0 342.484 -0.035 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152470473 831165840 /nfs/dbraw/zinc/16/58/40/831165840.db2.gz BPSBOHOIJSZTCH-CYBMUJFWSA-N 2 0 327.429 -0.732 20 0 EBADRP CC(C)[C@H](C(=O)NCC[NH2+]CC(=O)NC(N)=O)[NH+]1CCCCC1 ZINC001152479255 831166293 /nfs/dbraw/zinc/16/62/93/831166293.db2.gz CUDKTYCOMLNUJM-CYBMUJFWSA-N 2 0 327.429 -0.602 20 0 EBADRP COC(=O)[C@@H]([NH3+])C1CCN(c2ccc(N3CC[NH2+]CC3)nn2)CC1 ZINC001155154280 831388434 /nfs/dbraw/zinc/38/84/34/831388434.db2.gz MCJVFECQABUUQW-HNNXBMFYSA-N 2 0 334.424 -0.397 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)Nc1ncccn1 ZINC001155791270 831430111 /nfs/dbraw/zinc/43/01/11/831430111.db2.gz UXUXCOQCEIJGPB-QWHCGFSZSA-N 2 0 334.424 -0.006 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2C)s1 ZINC001155790960 831430164 /nfs/dbraw/zinc/43/01/64/831430164.db2.gz PVFQPDDQACMRRR-LLVKDONJSA-N 2 0 340.453 -0.025 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001155822081 831433100 /nfs/dbraw/zinc/43/31/00/831433100.db2.gz HZXOCGPSONMPJI-KBPBESRZSA-N 2 0 326.441 -0.671 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001155814736 831433321 /nfs/dbraw/zinc/43/33/21/831433321.db2.gz ZKLPFNZWLRKKKI-LBPRGKRZSA-N 2 0 325.413 -0.882 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001155821687 831433574 /nfs/dbraw/zinc/43/35/74/831433574.db2.gz CINJWVLOMRSQEY-GDBMZVCRSA-N 2 0 343.468 -0.267 20 0 EBADRP Cc1ncc(C[NH3+])c(=N)n1-c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001156830208 831505716 /nfs/dbraw/zinc/50/57/16/831505716.db2.gz COPLEPKVDZSBNT-UHFFFAOYSA-N 2 0 327.392 -0.441 20 0 EBADRP CC[N@H+](CCOCCNC(C)=O)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156890690 831512464 /nfs/dbraw/zinc/51/24/64/831512464.db2.gz SBEAHCQZWYGIFN-GDBMZVCRSA-N 2 0 342.484 -0.083 20 0 EBADRP CC[N@H+](CCN1C(=O)CCC1=O)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156890017 831513401 /nfs/dbraw/zinc/51/34/01/831513401.db2.gz HIQOAPWUCUPLSP-ZIAGYGMSSA-N 2 0 338.452 -0.086 20 0 EBADRP COC(=O)[C@@H](CCC[NH3+])Nc1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001157116478 831536496 /nfs/dbraw/zinc/53/64/96/831536496.db2.gz SODUVIOLSPFIPS-CYBMUJFWSA-N 2 0 335.408 -0.181 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001157335794 831554963 /nfs/dbraw/zinc/55/49/63/831554963.db2.gz JVTUNQWVAVAFNJ-GJZGRUSLSA-N 2 0 339.484 -0.580 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)[C@H]1C[NH2+]C[C@H](O)C1)C(=O)N1CCCC1 ZINC001157369448 831560346 /nfs/dbraw/zinc/56/03/46/831560346.db2.gz SYMFVYTXIBWVSR-MCIONIFRSA-N 2 0 326.441 -0.807 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157370860 831562401 /nfs/dbraw/zinc/56/24/01/831562401.db2.gz IUGQXCCVQASSSI-GJZGRUSLSA-N 3 0 341.500 -0.060 20 0 EBADRP CN1CC[NH2+]C[C@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157386409 831562839 /nfs/dbraw/zinc/56/28/39/831562839.db2.gz KLCMOXLDSOBQQS-KBPBESRZSA-N 2 0 325.457 -0.874 20 0 EBADRP CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001157413789 831564601 /nfs/dbraw/zinc/56/46/01/831564601.db2.gz OZCROPRNDGQMTK-OAHLLOKOSA-N 2 0 331.420 -0.199 20 0 EBADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@H]([NH3+])C1CCC2(CC1)OCCO2 ZINC001157720450 831588130 /nfs/dbraw/zinc/58/81/30/831588130.db2.gz JGEQXTSPNVGVTA-ZIAGYGMSSA-N 2 0 327.425 -0.306 20 0 EBADRP CS(=O)(=O)c1nc2c(c(N3CC[C@@](F)(C[NH3+])C3)n1)CC[NH2+]CC2 ZINC001157809740 831595332 /nfs/dbraw/zinc/59/53/32/831595332.db2.gz SKPBZCLFHCYYBN-CQSZACIVSA-N 2 0 343.428 -0.555 20 0 EBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CCC[C@@H](C[NH3+])[C@@H]2C)COC1(C)C ZINC001157841206 831596120 /nfs/dbraw/zinc/59/61/20/831596120.db2.gz FQQCQEFKVUQTIX-CYDGBPFRSA-N 2 0 326.441 -0.117 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001157898989 831604234 /nfs/dbraw/zinc/60/42/34/831604234.db2.gz FWNHQRMCKLRNDR-NWDGAFQWSA-N 2 0 327.429 -0.462 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158037797 831622204 /nfs/dbraw/zinc/62/22/04/831622204.db2.gz LJTRYRJIHORDHW-STQMWFEESA-N 2 0 339.440 -0.588 20 0 EBADRP CC(C)(C(=O)NCCC[NH2+]CCNS(C)(=O)=O)[NH+]1CCCCC1 ZINC001158079959 831626467 /nfs/dbraw/zinc/62/64/67/831626467.db2.gz VDKKQVSDYWNCRD-UHFFFAOYSA-N 2 0 348.513 -0.104 20 0 EBADRP O=C([C@@H]1CO[C@]2(C1)CCC[NH2+]CC2)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158093533 831626986 /nfs/dbraw/zinc/62/69/86/831626986.db2.gz WUZMJKPHIMNDOO-IAOVAPTHSA-N 2 0 336.436 -0.774 20 0 EBADRP O=C([C@H]1[NH2+]CCC[C@H]1C(F)(F)F)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091461 831627052 /nfs/dbraw/zinc/62/70/52/831627052.db2.gz CMOFZEDMWZOPLU-SUZMYJTESA-N 2 0 334.342 -0.393 20 0 EBADRP [NH3+][C@]1(C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)CCc2cc(F)ccc2C1 ZINC001158101201 831628003 /nfs/dbraw/zinc/62/80/03/831628003.db2.gz HGQKTWDOFXPJII-QZTJIDSGSA-N 2 0 346.406 -0.298 20 0 EBADRP O=C([C@@H]1CC[C@]2(C1)C[NH2+]CCO2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158118760 831630096 /nfs/dbraw/zinc/63/00/96/831630096.db2.gz DFGYYWHBRFZLBF-JEBQAFNWSA-N 2 0 348.447 -0.917 20 0 EBADRP CC(C)[C@]1(C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CCC[NH2+]C1 ZINC001158121724 831630944 /nfs/dbraw/zinc/63/09/44/831630944.db2.gz WOZVRPHIXORNLY-ROUUACIJSA-N 2 0 334.464 -0.050 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158160610 831633285 /nfs/dbraw/zinc/63/32/85/831633285.db2.gz LGYAXLDLMOBRCO-SUMWQHHRSA-N 2 0 340.468 -0.010 20 0 EBADRP O=C(c1cccnc1O[C@@H]1CC[NH2+]C1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158179787 831636724 /nfs/dbraw/zinc/63/67/24/831636724.db2.gz OXIPFUAOMCXULW-UMVBOHGHSA-N 2 0 332.404 -0.117 20 0 EBADRP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158179074 831637082 /nfs/dbraw/zinc/63/70/82/831637082.db2.gz GRLCUODVLZYXCE-JHJVBQTASA-N 2 0 327.425 -0.118 20 0 EBADRP CCOC(=O)c1cc2n(n1)CCCN(C(=O)[C@@]13C[NH2+]C[C@@H]1CCN3)C2 ZINC001158190000 831637840 /nfs/dbraw/zinc/63/78/40/831637840.db2.gz BTHFUNQHZVNROM-YVEFUNNKSA-N 2 0 347.419 -0.256 20 0 EBADRP O=C(NCCC[NH2+]Cc1nnnn1C1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001158197333 831638754 /nfs/dbraw/zinc/63/87/54/831638754.db2.gz WUCMJMJYTIMFLV-AWEZNQCLSA-N 2 0 333.440 -0.054 20 0 EBADRP C[C@@]1(C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)CC[NH2+]C[C@@H]1O ZINC001158260532 831640551 /nfs/dbraw/zinc/64/05/51/831640551.db2.gz FSKALWURQRWLDC-SWLSCSKDSA-N 2 0 334.424 -0.941 20 0 EBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260806 831642004 /nfs/dbraw/zinc/64/20/04/831642004.db2.gz HPSLZKDYIWZYSI-ZDUSSCGKSA-N 2 0 344.423 -0.998 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NCCC[NH2+][C@@H]2CCCNC2=O)n1 ZINC001158287751 831643476 /nfs/dbraw/zinc/64/34/76/831643476.db2.gz JBAGLDZOBPJFPR-CYBMUJFWSA-N 2 0 336.440 -0.567 20 0 EBADRP CN1CC[C@@H]([NH2+]CCCNC(=O)c2ccn(CC[NH+](C)C)n2)C1=O ZINC001158288153 831644031 /nfs/dbraw/zinc/64/40/31/831644031.db2.gz QMMCCBNQZZCION-CQSZACIVSA-N 2 0 336.440 -0.615 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306971 831645132 /nfs/dbraw/zinc/64/51/32/831645132.db2.gz ZCEGVFNALVHLPK-XQLPTFJDSA-N 3 0 337.468 -0.746 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)N2CCO[C@@H](C)C2)CC[N@@H+]1C ZINC001158381201 831650024 /nfs/dbraw/zinc/65/00/24/831650024.db2.gz ZTIIYKHXHPJZKM-RRFJBIMHSA-N 2 0 340.468 -0.330 20 0 EBADRP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1CC[NH2+]1)C2 ZINC001158379838 831650101 /nfs/dbraw/zinc/65/01/01/831650101.db2.gz BCWIKGDISPKIJA-BIMULSAOSA-N 2 0 335.326 -0.108 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158421802 831653864 /nfs/dbraw/zinc/65/38/64/831653864.db2.gz GFUWXPOMNFCSID-ZQDZILKHSA-N 3 0 337.468 -0.604 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001158495989 831661216 /nfs/dbraw/zinc/66/12/16/831661216.db2.gz IKTJXBZCVHANMZ-CTTWBBHYSA-N 2 0 337.420 -0.495 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)c1n[nH]c2c1CC[NH2+]C2 ZINC001158507330 831661691 /nfs/dbraw/zinc/66/16/91/831661691.db2.gz XSHIDYMFMVSDAP-TVYUQYBPSA-N 2 0 333.392 -0.579 20 0 EBADRP CCOC(=O)C1CC[NH+](C2CCN(C(=O)C[C@@H](O)C[NH3+])CC2)CC1 ZINC001158514410 831662983 /nfs/dbraw/zinc/66/29/83/831662983.db2.gz XDCNNDZUOWMPOZ-OAHLLOKOSA-N 2 0 341.452 -0.038 20 0 EBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158548702 831663841 /nfs/dbraw/zinc/66/38/41/831663841.db2.gz XHNBZWUPVKUOHC-QSJFSLAZSA-N 2 0 338.452 -0.401 20 0 EBADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158658473 831676061 /nfs/dbraw/zinc/67/60/61/831676061.db2.gz JXLOEHVMEGYFDW-YPMHNXCESA-N 2 0 344.375 -0.776 20 0 EBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001158821276 831688715 /nfs/dbraw/zinc/68/87/15/831688715.db2.gz GKYOCOSMTXOQPA-ZDUSSCGKSA-N 2 0 342.403 -0.387 20 0 EBADRP O=C([C@H]1C[NH2+]CCN1)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158903252 831694899 /nfs/dbraw/zinc/69/48/99/831694899.db2.gz MWUBIFAMDJWUAM-QEORTHHSSA-N 2 0 349.410 -0.364 20 0 EBADRP [NH3+][C@H]1CN[C@H](C(=O)N(c2ncccc2F)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)C1 ZINC001158903632 831695008 /nfs/dbraw/zinc/69/50/08/831695008.db2.gz NZGLBGQGISJKDL-WOKLECCJSA-N 2 0 349.410 -0.236 20 0 EBADRP COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)C1([NH3+])CC1 ZINC001159078190 831706478 /nfs/dbraw/zinc/70/64/78/831706478.db2.gz UXUMCWBBLWCKLG-SWLSCSKDSA-N 2 0 325.409 -0.267 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001159148999 831711016 /nfs/dbraw/zinc/71/10/16/831711016.db2.gz QVGLVCKFBBCWQB-LBPRGKRZSA-N 2 0 345.419 -0.686 20 0 EBADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001159134316 831711328 /nfs/dbraw/zinc/71/13/28/831711328.db2.gz MMAXNRKJYFJVFW-BBRMVZONSA-N 3 0 334.468 -0.270 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001159272138 831733635 /nfs/dbraw/zinc/73/36/35/831733635.db2.gz IVQMRDKZQMLIJG-ZNMIVQPWSA-N 2 0 348.451 -0.261 20 0 EBADRP CO[C@@H]1CCN(C(=O)[C@@H](N)C[NH3+])[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001159315998 831738845 /nfs/dbraw/zinc/73/88/45/831738845.db2.gz AMHHETKCYCEXBO-CAOSSQGBSA-N 2 0 333.436 -0.585 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(=O)NC ZINC001159329080 831740970 /nfs/dbraw/zinc/74/09/70/831740970.db2.gz YFCODTLIPXUUQJ-LBPRGKRZSA-N 2 0 327.429 -0.588 20 0 EBADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@]1(N)CC[NH2+]C1)C2 ZINC001159482151 831755860 /nfs/dbraw/zinc/75/58/60/831755860.db2.gz ZHTVFTBRMIVDMO-KBAYOESNSA-N 2 0 336.480 -0.116 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001159514994 831757605 /nfs/dbraw/zinc/75/76/05/831757605.db2.gz NDKJJADLIDGQJJ-LBPRGKRZSA-N 2 0 332.412 -0.679 20 0 EBADRP C[C@@H]1CCCN1C(=O)c1n[nH]c2c1CN(C(=O)C[NH2+]CCC[NH3+])CC2 ZINC001159608980 831766771 /nfs/dbraw/zinc/76/67/71/831766771.db2.gz KLXSMEVTOCKYOO-GFCCVEGCSA-N 2 0 348.451 -0.143 20 0 EBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)C[C@H]3COCC[NH2+]3)CC[C@@H]2C1 ZINC001159635706 831767490 /nfs/dbraw/zinc/76/74/90/831767490.db2.gz PZZDMHXJZZJDPS-OWCLPIDISA-N 2 0 341.452 -0.439 20 0 EBADRP [NH3+][C@H]1CN[C@H](C(=O)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)C1 ZINC001159667150 831771882 /nfs/dbraw/zinc/77/18/82/831771882.db2.gz SZFASHQSZVCQPC-NCOADZHNSA-N 2 0 345.447 -0.428 20 0 EBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001159838705 831787227 /nfs/dbraw/zinc/78/72/27/831787227.db2.gz NWWSXWFHBJXQJG-AWEZNQCLSA-N 2 0 348.513 -0.391 20 0 EBADRP CN(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001159869087 831790910 /nfs/dbraw/zinc/79/09/10/831790910.db2.gz SIAHJWYPLZLZGR-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(=O)NCc1nnc2n1CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C2 ZINC001159929474 831798012 /nfs/dbraw/zinc/79/80/12/831798012.db2.gz DQHUCTVJECZAIZ-LBPRGKRZSA-N 2 0 337.428 -0.897 20 0 EBADRP C[N@H+](CC(=O)NCCC[NH2+]CCN1CCCS1(=O)=O)C1CCC1 ZINC001159997291 831802712 /nfs/dbraw/zinc/80/27/12/831802712.db2.gz KKQQGFPQPUUBFW-UHFFFAOYSA-N 2 0 346.497 -0.398 20 0 EBADRP C[N@H+](CC(=O)NCCC[NH2+]Cc1nnc2n1CCOC2)C1CCC1 ZINC001159997627 831804289 /nfs/dbraw/zinc/80/42/89/831804289.db2.gz VDHWKVNUNCPALA-UHFFFAOYSA-N 2 0 336.440 -0.112 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001160003636 831804508 /nfs/dbraw/zinc/80/45/08/831804508.db2.gz XUQLWZUJDBBCKC-UHFFFAOYSA-N 2 0 348.513 -0.152 20 0 EBADRP Cc1ccc(N(C(=O)[C@@H](N)CC[NH3+])[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160053875 831809857 /nfs/dbraw/zinc/80/98/57/831809857.db2.gz WLMYWYVWGOXDFZ-KEYYUXOJSA-N 2 0 348.451 -0.295 20 0 EBADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160138782 831818886 /nfs/dbraw/zinc/81/88/86/831818886.db2.gz QMUGKVSISHWUSH-CLBVLKOUSA-N 2 0 346.431 -0.238 20 0 EBADRP CN(CC[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)S(C)(=O)=O ZINC001160274817 831830317 /nfs/dbraw/zinc/83/03/17/831830317.db2.gz XKRSORSJJGVOPJ-AWEZNQCLSA-N 2 0 348.513 -0.152 20 0 EBADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC001160387851 831841905 /nfs/dbraw/zinc/84/19/05/831841905.db2.gz DUYCPZFLMMGSBS-KBPBESRZSA-N 2 0 338.452 -0.746 20 0 EBADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC001160390473 831842704 /nfs/dbraw/zinc/84/27/04/831842704.db2.gz BMBCPDKYLMLQPF-KBPBESRZSA-N 2 0 338.452 -0.888 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160420950 831846763 /nfs/dbraw/zinc/84/67/63/831846763.db2.gz MMWDFYGKDQKPBD-HNNXBMFYSA-N 2 0 330.473 -0.179 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160427350 831847861 /nfs/dbraw/zinc/84/78/61/831847861.db2.gz QJUZJMVSGYNWOI-ZDUSSCGKSA-N 2 0 329.445 -0.486 20 0 EBADRP CCOC(=O)C1=C(O)CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001160427216 831848459 /nfs/dbraw/zinc/84/84/59/831848459.db2.gz KJTKFQHDHDIZAQ-IIYDPXPESA-N 2 0 337.420 -0.444 20 0 EBADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001160425940 831848658 /nfs/dbraw/zinc/84/86/58/831848658.db2.gz AFADKCNJJJUSIC-AWEZNQCLSA-N 2 0 341.456 -0.343 20 0 EBADRP CC(C)[C@@H](C(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O)[NH+](C)C ZINC001160426034 831848797 /nfs/dbraw/zinc/84/87/97/831848797.db2.gz CKUOHJAPAQJZEW-HOCLYGCPSA-N 2 0 342.484 -0.348 20 0 EBADRP C[NH2+]CC1CCN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CC1 ZINC001160457109 831853783 /nfs/dbraw/zinc/85/37/83/831853783.db2.gz XVKRPAAXOIPOAN-AWEZNQCLSA-N 2 0 343.493 -0.141 20 0 EBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001160490903 831855575 /nfs/dbraw/zinc/85/55/75/831855575.db2.gz LVCDURDUVGKOPL-INIZCTEOSA-N 2 0 340.468 -0.057 20 0 EBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC001160611809 831870786 /nfs/dbraw/zinc/87/07/86/831870786.db2.gz WIJGEDKVUKIYNF-LSDHHAIUSA-N 2 0 349.456 -0.130 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001160630344 831871969 /nfs/dbraw/zinc/87/19/69/831871969.db2.gz XJWCSVJRVFFAPK-RDJZCZTQSA-N 3 0 325.501 -0.330 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001160630340 831872020 /nfs/dbraw/zinc/87/20/20/831872020.db2.gz XJWCSVJRVFFAPK-DOTOQJQBSA-N 3 0 325.501 -0.330 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)c2ccc3c(c2)[C@@H]2C[NH2+]C[C@H]2NC3=O)CCO1 ZINC001160644278 831874751 /nfs/dbraw/zinc/87/47/51/831874751.db2.gz BHJZNLUNAGORGA-TUKIKUTGSA-N 2 0 330.388 -0.715 20 0 EBADRP COC(=O)CN(Cc1ccccc1)C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160657004 831877088 /nfs/dbraw/zinc/87/70/88/831877088.db2.gz BMLFHOUUIBSULD-INIZCTEOSA-N 2 0 348.447 -0.061 20 0 EBADRP CCNC(=O)CO[C@H]1CCCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001160746833 831882054 /nfs/dbraw/zinc/88/20/54/831882054.db2.gz NMVHOHRSRWEFLD-KBPBESRZSA-N 2 0 328.457 -0.024 20 0 EBADRP CCNC(=O)CO[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001160746857 831883042 /nfs/dbraw/zinc/88/30/42/831883042.db2.gz OCKRHJISOGJQCD-HIFRSBDPSA-N 2 0 326.441 -0.543 20 0 EBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160781600 831885435 /nfs/dbraw/zinc/88/54/35/831885435.db2.gz SMISLURGADADKQ-GJYPPUQNSA-N 2 0 342.443 -0.064 20 0 EBADRP C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160782026 831885493 /nfs/dbraw/zinc/88/54/93/831885493.db2.gz YRIQUXQCBZNMBZ-OVAAFMSASA-N 2 0 330.432 -0.162 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]([NH3+])Cc3cnc[nH]3)C[C@H]1C2 ZINC001160789402 831886562 /nfs/dbraw/zinc/88/65/62/831886562.db2.gz CIDVTVAGFHNTPA-FWGRZNJNSA-N 2 0 347.419 -0.863 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@]34CC[C@@H]3C[NH2+]C4)C[C@H]1C2 ZINC001160791883 831887894 /nfs/dbraw/zinc/88/78/94/831887894.db2.gz HALADLJEKCXJHY-OMYOZJEQSA-N 2 0 333.432 -0.157 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)[C@@]3(C)CC[NH2+]C[C@H]3O)C[C@H]1C[NH2+]CC2 ZINC001160811610 831889169 /nfs/dbraw/zinc/88/91/69/831889169.db2.gz QSPNRKKDZJLDNH-UTJXIGIESA-N 2 0 339.436 -0.652 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C[C@H]1C[NH2+]CC2 ZINC001160813912 831889996 /nfs/dbraw/zinc/88/99/96/831889996.db2.gz LLPFIEGPKXJUMM-JKIFEVAISA-N 3 0 340.468 -0.166 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)C12CCC[NH+](CCC1)C2)C(=O)NC(N)=O ZINC001160833845 831891799 /nfs/dbraw/zinc/89/17/99/831891799.db2.gz AMTPIFFXDZBUNN-GFCCVEGCSA-N 2 0 339.440 -0.458 20 0 EBADRP C[NH+](C)C[C@@H]1COCCN1C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001160837576 831893589 /nfs/dbraw/zinc/89/35/89/831893589.db2.gz BUFRCZNUMQSCNV-OLZOCXBDSA-N 2 0 344.456 -0.966 20 0 EBADRP Cn1[nH]c(C[NH2+]CCCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)nc1=O ZINC001160868318 831901271 /nfs/dbraw/zinc/90/12/71/831901271.db2.gz LUCKUVDYVFQVSU-QWHCGFSZSA-N 2 0 336.440 -0.279 20 0 EBADRP CC[C@H](C(=O)NCCC[NH2+]CCN1C(=O)NC(C)(C)C1=O)[NH+](C)C ZINC001160890149 831904005 /nfs/dbraw/zinc/90/40/05/831904005.db2.gz WQZAUIOJRZQXLY-GFCCVEGCSA-N 2 0 341.456 -0.247 20 0 EBADRP CN(C(=O)CN1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC1)c1ccccc1 ZINC001160893819 831904150 /nfs/dbraw/zinc/90/41/50/831904150.db2.gz BQNBDGYORMCQLD-INIZCTEOSA-N 2 0 347.463 -0.140 20 0 EBADRP CCCNC(=O)C[NH2+]CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001160951023 831909279 /nfs/dbraw/zinc/90/92/79/831909279.db2.gz ALCCWPDXZJRICJ-UHFFFAOYSA-N 2 0 342.484 -0.033 20 0 EBADRP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C2 ZINC001160965732 831911066 /nfs/dbraw/zinc/91/10/66/831911066.db2.gz XGELCKAHIGXWOW-IIYDPXPESA-N 2 0 340.468 -0.345 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160971849 831911968 /nfs/dbraw/zinc/91/19/68/831911968.db2.gz NUWLBLYUBHDERL-ZJUUUORDSA-N 2 0 336.383 -0.560 20 0 EBADRP O=C([C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001160999541 831913596 /nfs/dbraw/zinc/91/35/96/831913596.db2.gz HGCRYZKZFVGZFU-OAGGEKHMSA-N 2 0 336.480 -0.224 20 0 EBADRP O=C(c1cnc(N2CC[NH2+]CC2)cn1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161009173 831913799 /nfs/dbraw/zinc/91/37/99/831913799.db2.gz TWCOIUPFDMBGHI-CQSZACIVSA-N 2 0 346.435 -0.785 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161040794 831916259 /nfs/dbraw/zinc/91/62/59/831916259.db2.gz CQONCXBVXRVMIQ-LBPRGKRZSA-N 2 0 327.429 -0.588 20 0 EBADRP COCCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161042369 831917294 /nfs/dbraw/zinc/91/72/94/831917294.db2.gz PGIJBEMNZRHWQT-AWEZNQCLSA-N 2 0 328.457 -0.281 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001161052036 831918249 /nfs/dbraw/zinc/91/82/49/831918249.db2.gz GVUANBKCUPZRRR-HUUCEWRRSA-N 2 0 340.468 -0.281 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001161053225 831918314 /nfs/dbraw/zinc/91/83/14/831918314.db2.gz RTOJPCCGGFMXPN-GFCCVEGCSA-N 2 0 325.413 -0.882 20 0 EBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCN(c2ncc(O)cn2)CC1 ZINC001161083274 831921203 /nfs/dbraw/zinc/92/12/03/831921203.db2.gz WDJXGQWKPNNVCV-AWEZNQCLSA-N 2 0 336.440 -0.110 20 0 EBADRP [NH3+]CCN(CCNc1ccc(OC2CC[NH2+]CC2)nn1)N(O)N=O ZINC001161095691 831925235 /nfs/dbraw/zinc/92/52/35/831925235.db2.gz FGCVYEROMYWBFA-UHFFFAOYSA-N 2 0 340.388 -0.432 20 0 EBADRP CC(=O)N1CCC[C@@H](N(C)C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001161132210 831928699 /nfs/dbraw/zinc/92/86/99/831928699.db2.gz WHTDZHSYPPPWHA-HUUCEWRRSA-N 2 0 325.457 -0.794 20 0 EBADRP CCOC(=O)CN(CCC[NH3+])C(=O)C1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001161158376 831933785 /nfs/dbraw/zinc/93/37/85/831933785.db2.gz UEEKRKWOUHEWGZ-OAHLLOKOSA-N 2 0 340.468 -0.199 20 0 EBADRP CC(C)(O)CC[NH+]1CCN(C(=O)CN2CCCC[C@H]([NH3+])C2=O)CC1 ZINC001161175594 831935202 /nfs/dbraw/zinc/93/52/02/831935202.db2.gz MJDLZFFSJZGZPJ-AWEZNQCLSA-N 2 0 340.468 -0.369 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161210699 831937490 /nfs/dbraw/zinc/93/74/90/831937490.db2.gz ZNZSKTJWPIYANX-QGZVFWFLSA-N 3 0 337.512 -0.025 20 0 EBADRP CN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161220662 831938368 /nfs/dbraw/zinc/93/83/68/831938368.db2.gz FLARXPSCWHPONL-ZRUFSTJUSA-N 2 0 336.358 -0.161 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@](F)(C[NH3+])C1 ZINC001161245742 831940517 /nfs/dbraw/zinc/94/05/17/831940517.db2.gz FWEQACCXTWHLMG-XEZPLFJOSA-N 3 0 343.447 -0.667 20 0 EBADRP [NH3+]C[C@]1(F)CCN(C(=O)c2cnn3c2nccc3[C@H]2C[NH2+]CCO2)C1 ZINC001161246966 831940953 /nfs/dbraw/zinc/94/09/53/831940953.db2.gz TXJYXTNEJGDFTH-CZUORRHYSA-N 2 0 348.382 -0.097 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001161251270 831941928 /nfs/dbraw/zinc/94/19/28/831941928.db2.gz LOQSCHLIRHKDBU-UHFFFAOYSA-N 2 0 329.445 -0.342 20 0 EBADRP Cc1ccnc(N2CCN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)CC2)n1 ZINC001161304308 831946314 /nfs/dbraw/zinc/94/63/14/831946314.db2.gz ZNTGSOQGRJQLMV-OAHLLOKOSA-N 2 0 347.467 -0.816 20 0 EBADRP CCN(C(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2)[C@H]1CCC[NH2+]C1 ZINC001161328661 831949022 /nfs/dbraw/zinc/94/90/22/831949022.db2.gz FFKLCSFIIKHGDO-STQMWFEESA-N 2 0 333.440 -0.475 20 0 EBADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@@H]3C[NH2+]Cc4ccnn4C3)C2)CC1 ZINC001161373310 831951966 /nfs/dbraw/zinc/95/19/66/831951966.db2.gz NYSNRGRJIAJBKT-CZUORRHYSA-N 2 0 332.452 -0.374 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161389140 831952724 /nfs/dbraw/zinc/95/27/24/831952724.db2.gz NMXXUEOWLAAEKD-CVEARBPZSA-N 3 0 339.484 -0.940 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161423994 831957135 /nfs/dbraw/zinc/95/71/35/831957135.db2.gz VLUFXXMQLRNDML-ILXRZTDVSA-N 3 0 337.468 -0.650 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161445093 831957823 /nfs/dbraw/zinc/95/78/23/831957823.db2.gz NPLXUCNTUOXEKX-CABCVRRESA-N 3 0 341.500 -0.382 20 0 EBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161447304 831958149 /nfs/dbraw/zinc/95/81/49/831958149.db2.gz WYSBKKBQRPMLOV-KGLIPLIRSA-N 3 0 345.513 -0.717 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)C[C@]1(O)CCC[NH2+]C1)CC2 ZINC001161475989 831962846 /nfs/dbraw/zinc/96/28/46/831962846.db2.gz AFRPIDHBEKTATM-MAZHCROVSA-N 2 0 325.409 -0.755 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)CC1([NH3+])CCOCC1)CC2 ZINC001161479337 831963387 /nfs/dbraw/zinc/96/33/87/831963387.db2.gz KEHNHRJFONEZCN-WBMJQRKESA-N 2 0 325.409 -0.362 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)C[C@H]1C[NH2+]CC1(F)F)CC2 ZINC001161479423 831963645 /nfs/dbraw/zinc/96/36/45/831963645.db2.gz KUMZREKMEIFWJP-MJVIPROJSA-N 2 0 331.363 -0.015 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1CC[C@H]3[NH2+]CC[C@H]3O1)CC2 ZINC001161481277 831964410 /nfs/dbraw/zinc/96/44/10/831964410.db2.gz XIUNAUXJTMDHQQ-MAKQCAJESA-N 2 0 337.420 -0.351 20 0 EBADRP CO[C@@H]1CN(C(=O)c2cnn3c2nccc3[C@H]2C[NH2+]CCO2)C[C@@H]1[NH3+] ZINC001161493556 831965806 /nfs/dbraw/zinc/96/58/06/831965806.db2.gz OWWPPRWVOXJVFH-IACUBPJLSA-N 2 0 346.391 -0.812 20 0 EBADRP CO[C@@H]1CN(C(=O)[C@H]2CN(Cc3ccccc3)CC23C[NH2+]C3)C[C@@H]1[NH3+] ZINC001161493570 831966101 /nfs/dbraw/zinc/96/61/01/831966101.db2.gz PGWBTGFMGPYWBQ-IXDOHACOSA-N 2 0 344.459 -0.108 20 0 EBADRP C[N@H+](C1CN(C(=O)[C@@H]2CCCN([C@H]3CC[NH2+]C3)C2)C1)[C@H]1CCOC1 ZINC001161499550 831966562 /nfs/dbraw/zinc/96/65/62/831966562.db2.gz PPWLOGABBJEWNR-PMPSAXMXSA-N 2 0 336.480 -0.008 20 0 EBADRP [NH3+][C@H](C(=O)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1)C1CC[NH2+]CC1 ZINC001161601683 831977318 /nfs/dbraw/zinc/97/73/18/831977318.db2.gz JSWQNZVPTYSJAW-ZNMIVQPWSA-N 2 0 328.432 -0.416 20 0 EBADRP O=C(NCCC[NH2+]CCN1C(=O)CCC1=O)C12CCC[NH+]1CCC2 ZINC001161796051 831992206 /nfs/dbraw/zinc/99/22/06/831992206.db2.gz YINBZJBYPHHUKN-UHFFFAOYSA-N 2 0 336.436 -0.140 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161795655 831992499 /nfs/dbraw/zinc/99/24/99/831992499.db2.gz NZNFLCMXCWYMRB-LBPRGKRZSA-N 2 0 339.440 -0.445 20 0 EBADRP CCOC(=O)c1c(C[NH3+])ncn1-c1ncnc(C2C[NH2+]C2)c1OC ZINC001162533297 832050740 /nfs/dbraw/zinc/05/07/40/832050740.db2.gz PLISZRAIAAXIKC-UHFFFAOYSA-N 2 0 332.364 -0.007 20 0 EBADRP Cn1cc(CC[NH2+]CCCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)cn1 ZINC001162872026 832067156 /nfs/dbraw/zinc/06/71/56/832067156.db2.gz DINQMCGHYMHECB-UPTPFMHGSA-N 2 0 347.463 -0.078 20 0 EBADRP O=C(NCCC[NH2+]Cc1cnns1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162871987 832067243 /nfs/dbraw/zinc/06/72/43/832067243.db2.gz CKIFFUIGYJELAI-GLWUULTISA-N 2 0 337.449 -0.003 20 0 EBADRP Cn1cc(CC[NH2+]CCCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)cn1 ZINC001162872025 832067441 /nfs/dbraw/zinc/06/74/41/832067441.db2.gz DINQMCGHYMHECB-PQUAAJSLSA-N 2 0 347.463 -0.078 20 0 EBADRP Cn1nncc1C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872437 832068551 /nfs/dbraw/zinc/06/85/51/832068551.db2.gz RRPSXCYIWOFYQB-CXOJTPOUSA-N 2 0 334.424 -0.726 20 0 EBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872107 832068644 /nfs/dbraw/zinc/06/86/44/832068644.db2.gz GWPKDSOPCMNTLQ-UUCFBXCCSA-N 2 0 338.452 -0.576 20 0 EBADRP CCn1nncc1C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872242 832068982 /nfs/dbraw/zinc/06/89/82/832068982.db2.gz LHRQNCRLEGJYAD-GULBITTBSA-N 2 0 348.451 -0.243 20 0 EBADRP CCn1ncnc1C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872313 832069104 /nfs/dbraw/zinc/06/91/04/832069104.db2.gz NMDSBPRCRSHUDB-XOYHFGRZSA-N 2 0 348.451 -0.243 20 0 EBADRP CN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1=O ZINC001162872626 832069674 /nfs/dbraw/zinc/06/96/74/832069674.db2.gz YNLGMKUJPZMNJD-YRTQGLMCSA-N 2 0 336.436 -0.824 20 0 EBADRP COc1c(NCc2nnn3c2C[NH2+]CCC3)ncnc1C1C[NH2+]C1 ZINC001162971326 832073519 /nfs/dbraw/zinc/07/35/19/832073519.db2.gz BQGISAFDIDZDLL-UHFFFAOYSA-N 2 0 330.396 -0.131 20 0 EBADRP Cc1cnc(N2CCC(C[NH3+])CC2)nc1N[C@@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001163239706 832092823 /nfs/dbraw/zinc/09/28/23/832092823.db2.gz VPRUUVUCUAOMQR-GUYCJALGSA-N 2 0 345.451 -0.050 20 0 EBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cncc(OCC[NH+]3CCCC3)n2)N1 ZINC001163240157 832092881 /nfs/dbraw/zinc/09/28/81/832092881.db2.gz XLSOSFPBEACOOV-LRDDRELGSA-N 2 0 332.408 -0.059 20 0 EBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ccc3nc([C@H]4CC[NH2+]C4)nn3c2)N1 ZINC001163252580 832093274 /nfs/dbraw/zinc/09/32/74/832093274.db2.gz ANLMOXPHDJCVOP-PKWAYOAASA-N 2 0 327.392 -0.204 20 0 EBADRP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](OC)C1 ZINC001212297487 837599254 /nfs/dbraw/zinc/59/92/54/837599254.db2.gz DNEREQYVGSULHC-KLHDSHLOSA-N 2 0 343.468 -0.195 20 0 EBADRP CC[NH2+]CCCNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001350033059 832107543 /nfs/dbraw/zinc/10/75/43/832107543.db2.gz UVKQYSWYAJHQCE-UHFFFAOYSA-N 2 0 339.484 -0.659 20 0 EBADRP C[C@H]([NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1)C(=O)NC(N)=O ZINC001163822320 832142013 /nfs/dbraw/zinc/14/20/13/832142013.db2.gz ZAMUZCDTUAHLOC-NWDGAFQWSA-N 2 0 339.440 -0.460 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001163821178 832142538 /nfs/dbraw/zinc/14/25/38/832142538.db2.gz LLUPOLNLFYNYIK-LLVKDONJSA-N 2 0 325.413 -0.848 20 0 EBADRP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001350340970 832155930 /nfs/dbraw/zinc/15/59/30/832155930.db2.gz GAUGWJRQUNBTML-DZGCQCFKSA-N 2 0 338.452 -0.528 20 0 EBADRP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC001350524625 832173472 /nfs/dbraw/zinc/17/34/72/832173472.db2.gz GRCKZJPHTYTSPT-HOCLYGCPSA-N 2 0 340.468 -0.140 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001164536162 832195058 /nfs/dbraw/zinc/19/50/58/832195058.db2.gz NJYXGSROXUNCMS-UONOGXRCSA-N 2 0 328.457 -0.332 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC2CC2)C1 ZINC001164535825 832195206 /nfs/dbraw/zinc/19/52/06/832195206.db2.gz HAJMFMUWGLDUPM-ZFWWWQNUSA-N 2 0 340.468 -0.141 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NC2CC2)C1 ZINC001164538656 832196069 /nfs/dbraw/zinc/19/60/69/832196069.db2.gz LBACUTMVRRAVLZ-AWEZNQCLSA-N 2 0 326.441 -0.530 20 0 EBADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCCO2)CC1 ZINC001165255050 832208438 /nfs/dbraw/zinc/20/84/38/832208438.db2.gz VMPPFFNRRVERCX-CQSZACIVSA-N 2 0 340.468 -0.281 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001165263751 832209174 /nfs/dbraw/zinc/20/91/74/832209174.db2.gz WBSHUTILNBIOIN-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165261533 832209391 /nfs/dbraw/zinc/20/93/91/832209391.db2.gz AIKRNMFHXZQTOV-CQSZACIVSA-N 2 0 331.457 -0.552 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165261532 832209636 /nfs/dbraw/zinc/20/96/36/832209636.db2.gz AIKRNMFHXZQTOV-AWEZNQCLSA-N 2 0 331.457 -0.552 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165262087 832209706 /nfs/dbraw/zinc/20/97/06/832209706.db2.gz FHIBUIJBYNYPRK-UHFFFAOYSA-N 2 0 348.513 -0.294 20 0 EBADRP CCc1cc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)nc(N2CCOCC2)[nH+]1 ZINC001165282978 832210674 /nfs/dbraw/zinc/21/06/74/832210674.db2.gz LGBPAPGGMQBSBR-DYVFJYSZSA-N 2 0 333.436 -0.106 20 0 EBADRP O=C1NCCN(c2ccc(OCC3CC[NH2+]CC3)nn2)C12C[NH2+]C2 ZINC001165301362 832212899 /nfs/dbraw/zinc/21/28/99/832212899.db2.gz UQZNWLHNBNVGBE-UHFFFAOYSA-N 2 0 332.408 -0.867 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165788716 832238321 /nfs/dbraw/zinc/23/83/21/832238321.db2.gz SYJRHWXBTFGUPP-GFCCVEGCSA-N 2 0 329.445 -0.343 20 0 EBADRP CN(CCCNC(=O)C[NH+]1CCCC1)C(=O)[C@H]1CN(C)CCO1 ZINC001351509774 832245125 /nfs/dbraw/zinc/24/51/25/832245125.db2.gz MVPWGJNVHQNEBX-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP CC(C)[C@H](C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O)[NH+](C)C ZINC001166010906 832246193 /nfs/dbraw/zinc/24/61/93/832246193.db2.gz UXYSLRCKAPYRLP-CYBMUJFWSA-N 2 0 327.429 -0.780 20 0 EBADRP COC(C)(C)[C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001351593264 832256298 /nfs/dbraw/zinc/25/62/98/832256298.db2.gz POUXBADHSSHFHA-CYBMUJFWSA-N 2 0 330.473 -0.132 20 0 EBADRP CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC)[NH+](CC)CC ZINC001166432853 832261933 /nfs/dbraw/zinc/26/19/33/832261933.db2.gz PVAOPMUOQXHKLR-GFCCVEGCSA-N 2 0 329.445 -0.342 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC(=O)NC1CCOCC1 ZINC001166633329 832274702 /nfs/dbraw/zinc/27/47/02/832274702.db2.gz DHYPJDYYQPMJFZ-CQSZACIVSA-N 2 0 340.468 -0.138 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001166627665 832275182 /nfs/dbraw/zinc/27/51/82/832275182.db2.gz ZAEBBQPYCYGTOZ-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP COCCCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166634187 832275619 /nfs/dbraw/zinc/27/56/19/832275619.db2.gz QGMSTVZMZASCBC-CQSZACIVSA-N 2 0 328.457 -0.281 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001166634906 832276036 /nfs/dbraw/zinc/27/60/36/832276036.db2.gz YGMYNQONZQYJRP-ZDUSSCGKSA-N 2 0 341.456 -0.198 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC(=O)Nc1cnccn1 ZINC001166634447 832276359 /nfs/dbraw/zinc/27/63/59/832276359.db2.gz SDIAVARUPIPBLJ-CYBMUJFWSA-N 2 0 334.424 -0.005 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001166692363 832280061 /nfs/dbraw/zinc/28/00/61/832280061.db2.gz OUHGBFISFCZEJC-UKRRQHHQSA-N 2 0 328.457 -0.567 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001166694084 832280343 /nfs/dbraw/zinc/28/03/43/832280343.db2.gz VLJSGTDILGWFEI-CHWSQXEVSA-N 2 0 339.440 -0.778 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)Nc1nncs1 ZINC001166708193 832282114 /nfs/dbraw/zinc/28/21/14/832282114.db2.gz NUGHUFAZLRRTHD-GHMZBOCLSA-N 2 0 340.453 -0.230 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001166765153 832286293 /nfs/dbraw/zinc/28/62/93/832286293.db2.gz URKWAQHBLPTCJY-HNNXBMFYSA-N 2 0 345.484 -0.162 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001166764603 832286544 /nfs/dbraw/zinc/28/65/44/832286544.db2.gz HHKZVLZUVNXQAA-UHFFFAOYSA-N 2 0 342.484 -0.033 20 0 EBADRP C[C@@H](COCC(=O)NCCC[NH2+]CCS(C)(=O)=O)[NH+]1CCCC1 ZINC001166930246 832299117 /nfs/dbraw/zinc/29/91/17/832299117.db2.gz BEIFGCCWJFCRQE-AWEZNQCLSA-N 2 0 349.497 -0.372 20 0 EBADRP CN(CC[NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1)S(C)(=O)=O ZINC001166972275 832304430 /nfs/dbraw/zinc/30/44/30/832304430.db2.gz UXRHSJPANGASMT-UHFFFAOYSA-N 2 0 348.513 -0.294 20 0 EBADRP CCN(CCCNC(=O)[C@@H]1CN(C)CCO1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001352090393 832305270 /nfs/dbraw/zinc/30/52/70/832305270.db2.gz FTYFGVKUVBBYMM-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC(=O)NCCC1(C[NH2+]CCN2C(=O)CCC2=O)CC1 ZINC001166987794 832306018 /nfs/dbraw/zinc/30/60/18/832306018.db2.gz VKWRYTDGMBBDAS-UHFFFAOYSA-N 2 0 338.452 -0.037 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(c3ncnc4c3CC[NH2+]C4)C[C@H]1C2 ZINC001167230063 832319973 /nfs/dbraw/zinc/31/99/73/832319973.db2.gz YXRNGUQUCBHJDE-KEIZMWOVSA-N 2 0 343.431 -0.043 20 0 EBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001352486995 832331647 /nfs/dbraw/zinc/33/16/47/832331647.db2.gz SARGVZIIOURDEI-HZMVEIRTSA-N 3 0 337.512 -0.428 20 0 EBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001352487002 832332076 /nfs/dbraw/zinc/33/20/76/832332076.db2.gz SARGVZIIOURDEI-VQHPVUNQSA-N 3 0 337.512 -0.428 20 0 EBADRP C[NH+]1CCC(CC(=O)NCCC[NH2+]CC(=O)N2CCOCC2)CC1 ZINC001167655489 832361479 /nfs/dbraw/zinc/36/14/79/832361479.db2.gz RIZDXMRRMLRAAZ-UHFFFAOYSA-N 2 0 340.468 -0.327 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167668428 832362346 /nfs/dbraw/zinc/36/23/46/832362346.db2.gz UFGDETOPWHSIQQ-GFCCVEGCSA-N 2 0 341.456 -0.342 20 0 EBADRP C[NH+]1CCC(CC(=O)NCCC[NH2+]CCNS(C)(=O)=O)CC1 ZINC001167668504 832362415 /nfs/dbraw/zinc/36/24/15/832362415.db2.gz VQDFTPRQKLZXNG-UHFFFAOYSA-N 2 0 334.486 -0.637 20 0 EBADRP C[C@@H]([NH2+]CC1(CCNC(=O)COCC[NH+](C)C)CC1)C(=O)N(C)C ZINC001167736890 832368883 /nfs/dbraw/zinc/36/88/83/832368883.db2.gz KTWPSVUMQHAQQI-CQSZACIVSA-N 2 0 342.484 -0.083 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168030964 832388231 /nfs/dbraw/zinc/38/82/31/832388231.db2.gz VWZIKTJDNXTHQE-RYUDHWBXSA-N 2 0 325.413 -0.706 20 0 EBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001168043935 832390074 /nfs/dbraw/zinc/39/00/74/832390074.db2.gz OMPLJRLOSTUQAF-UHFFFAOYSA-N 2 0 338.456 -0.368 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NCCC[NH2+]CCn2cncn2)cn1 ZINC001168052155 832391218 /nfs/dbraw/zinc/39/12/18/832391218.db2.gz NTNFGNGSCKLZPX-UHFFFAOYSA-N 2 0 334.428 -0.554 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001168320864 832414296 /nfs/dbraw/zinc/41/42/96/832414296.db2.gz UFGWMERTUWGBOY-UHFFFAOYSA-N 2 0 341.456 -0.342 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001353190675 832414853 /nfs/dbraw/zinc/41/48/53/832414853.db2.gz XBPWHXXIMIYIDT-QLFBSQMISA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H]1O[C@@H](OCC[NH2+]C2CC[NH+](CC3CC3)CC2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001168371477 832417331 /nfs/dbraw/zinc/41/73/31/832417331.db2.gz MSPXKQNTYJNKNH-PAZMTAOXSA-N 2 0 344.452 -0.706 20 0 EBADRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001353273531 832419421 /nfs/dbraw/zinc/41/94/21/832419421.db2.gz PQMLEAQCRISSQU-IAGOWNOFSA-N 2 0 327.517 -0.790 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001168435115 832420322 /nfs/dbraw/zinc/42/03/22/832420322.db2.gz WKKAWWGSYMIZSG-UHFFFAOYSA-N 2 0 349.435 -0.087 20 0 EBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001353330911 832422879 /nfs/dbraw/zinc/42/28/79/832422879.db2.gz WUNBRFQDVOWACB-BETUJISGSA-N 2 0 326.441 -0.855 20 0 EBADRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C(C)C ZINC001168667326 832431655 /nfs/dbraw/zinc/43/16/55/832431655.db2.gz SQVAMMWRFCFMBF-CYBMUJFWSA-N 2 0 329.445 -0.356 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]CC(=O)Nc1nncs1 ZINC001168755700 832434831 /nfs/dbraw/zinc/43/48/31/832434831.db2.gz QDQJVYPOXULVGJ-UHFFFAOYSA-N 2 0 328.442 -0.086 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)COC1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001169530896 832466469 /nfs/dbraw/zinc/46/64/69/832466469.db2.gz ILDUIKFBTHWATB-ZDUSSCGKSA-N 2 0 340.468 -0.140 20 0 EBADRP C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169808725 832477377 /nfs/dbraw/zinc/47/73/77/832477377.db2.gz DKKYLBHBWRBSRJ-NWDGAFQWSA-N 2 0 327.429 -0.460 20 0 EBADRP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)NC(=O)COCC[NH+](C)C ZINC001354530246 832498040 /nfs/dbraw/zinc/49/80/40/832498040.db2.gz BBRYTVDMIBKHOV-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP Cn1nnnc1C[NH2+]CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001170756842 832523255 /nfs/dbraw/zinc/52/32/55/832523255.db2.gz SBBNHYGQNAZLKF-UHFFFAOYSA-N 2 0 335.456 -0.072 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171226680 832552282 /nfs/dbraw/zinc/55/22/82/832552282.db2.gz JEVPFWZAWTXUFQ-LSDHHAIUSA-N 2 0 331.457 -0.552 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171219125 832552649 /nfs/dbraw/zinc/55/26/49/832552649.db2.gz TWFWCHMDCRDBFP-CQSZACIVSA-N 2 0 328.457 -0.423 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001171217971 832552723 /nfs/dbraw/zinc/55/27/23/832552723.db2.gz PZFSHFNRQRBUBD-CQSZACIVSA-N 2 0 326.441 -0.717 20 0 EBADRP C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001171238264 832553391 /nfs/dbraw/zinc/55/33/91/832553391.db2.gz SXVSZWGXGHQJGX-GFCCVEGCSA-N 2 0 341.456 -0.070 20 0 EBADRP C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001171261230 832554336 /nfs/dbraw/zinc/55/43/36/832554336.db2.gz RYJXTWDPFQYPNQ-LBPRGKRZSA-N 2 0 341.456 -0.070 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171293450 832555561 /nfs/dbraw/zinc/55/55/61/832555561.db2.gz JIHGEZXVJBNCDG-UHFFFAOYSA-N 2 0 332.470 -0.883 20 0 EBADRP C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171539168 832562518 /nfs/dbraw/zinc/56/25/18/832562518.db2.gz RMXMFTHUHKWZNJ-STQMWFEESA-N 2 0 341.456 -0.070 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001171762786 832574885 /nfs/dbraw/zinc/57/48/85/832574885.db2.gz LBBOSWIMDBGSSV-CQSZACIVSA-N 2 0 328.457 -0.281 20 0 EBADRP CC[N@@H+]1CC[C@H](N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)C1 ZINC001173361087 832583835 /nfs/dbraw/zinc/58/38/35/832583835.db2.gz LQGFFLMCLUYHKL-ZDUSSCGKSA-N 2 0 341.481 -0.115 20 0 EBADRP C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175264263 832620082 /nfs/dbraw/zinc/62/00/82/832620082.db2.gz RNUWYVLAPOFSAE-CHWSQXEVSA-N 2 0 341.456 -0.212 20 0 EBADRP CC[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NC(N)=O)[NH+](C)C ZINC001175317243 832621726 /nfs/dbraw/zinc/62/17/26/832621726.db2.gz NCJMBYXDJPZHGM-NEPJUHHUSA-N 2 0 329.445 -0.214 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC001356438404 832628955 /nfs/dbraw/zinc/62/89/55/832628955.db2.gz OZRBFIVGHNGXLS-OAHLLOKOSA-N 2 0 339.484 -0.673 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CC(=O)NC(N)=O ZINC001176024447 832653422 /nfs/dbraw/zinc/65/34/22/832653422.db2.gz OHGNEJWUTPUTNR-GFCCVEGCSA-N 2 0 329.445 -0.212 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001176072364 832655635 /nfs/dbraw/zinc/65/56/35/832655635.db2.gz QTYVJJJVBYIEPT-UONOGXRCSA-N 2 0 326.441 -0.671 20 0 EBADRP CCOCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176095886 832657444 /nfs/dbraw/zinc/65/74/44/832657444.db2.gz KGVDJCDPCYFSOD-LSDHHAIUSA-N 2 0 342.484 -0.035 20 0 EBADRP COC[C@@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176110040 832658005 /nfs/dbraw/zinc/65/80/05/832658005.db2.gz IJJAKGAVSBKBBE-CABCVRRESA-N 2 0 331.457 -0.410 20 0 EBADRP COCCOCC[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176153397 832659265 /nfs/dbraw/zinc/65/92/65/832659265.db2.gz SUVUWUHGTOCKQG-HNNXBMFYSA-N 2 0 331.457 -0.286 20 0 EBADRP CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1=O ZINC001176161347 832660103 /nfs/dbraw/zinc/66/01/03/832660103.db2.gz OGBXHVGMEJPIQF-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP CCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176160426 832660109 /nfs/dbraw/zinc/66/01/09/832660109.db2.gz FBAWLSPLCNNMNF-HUUCEWRRSA-N 2 0 342.484 -0.035 20 0 EBADRP CC[C@@H](C)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176168989 832660872 /nfs/dbraw/zinc/66/08/72/832660872.db2.gz IJKMGEKCZMEECC-LSDHHAIUSA-N 2 0 342.484 -0.035 20 0 EBADRP CCN(CC)C(=O)C[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176169029 832661358 /nfs/dbraw/zinc/66/13/58/832661358.db2.gz JIWKJSFAYRBPCB-OAHLLOKOSA-N 2 0 342.484 -0.081 20 0 EBADRP C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176600771 832681483 /nfs/dbraw/zinc/68/14/83/832681483.db2.gz PMMANRMGQYMQCX-KBPBESRZSA-N 2 0 328.457 -0.295 20 0 EBADRP CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176598773 832681548 /nfs/dbraw/zinc/68/15/48/832681548.db2.gz CTDJHCFMTRDOAP-HUUCEWRRSA-N 2 0 342.484 -0.035 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001176857420 832696458 /nfs/dbraw/zinc/69/64/58/832696458.db2.gz WDINIJYQJUHBDF-ZIAGYGMSSA-N 2 0 348.513 -0.106 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001176856596 832696626 /nfs/dbraw/zinc/69/66/26/832696626.db2.gz LQHRIDMNOQNGJJ-STQMWFEESA-N 2 0 334.486 -0.496 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1ccccc1C[NH+](C)C ZINC001176948150 832715820 /nfs/dbraw/zinc/71/58/20/832715820.db2.gz INTHXDRQEUBUPP-UHFFFAOYSA-N 2 0 349.435 -0.087 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)Nc1nncs1 ZINC001176971743 832722375 /nfs/dbraw/zinc/72/23/75/832722375.db2.gz GSMZMFACWCVYMT-UHFFFAOYSA-N 2 0 328.442 -0.087 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001176975066 832722871 /nfs/dbraw/zinc/72/28/71/832722871.db2.gz JTYZLURHSVFKBC-CQSZACIVSA-N 2 0 328.457 -0.330 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001176986134 832726194 /nfs/dbraw/zinc/72/61/94/832726194.db2.gz FVFGEJBGFTWMPN-GFCCVEGCSA-N 2 0 341.456 -0.201 20 0 EBADRP CC(C)[C@@H](C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+]1CCCC1 ZINC001176997360 832730358 /nfs/dbraw/zinc/73/03/58/832730358.db2.gz LVQPLMVMRBPOAI-AWEZNQCLSA-N 2 0 338.456 -0.175 20 0 EBADRP CC(C)[C@H](C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+]1CCCC1 ZINC001176997368 832730594 /nfs/dbraw/zinc/73/05/94/832730594.db2.gz LVQPLMVMRBPOAI-CQSZACIVSA-N 2 0 338.456 -0.175 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)[C@@H]1C)[NH+](C)C ZINC001178985770 832938301 /nfs/dbraw/zinc/93/83/01/832938301.db2.gz XCVMTHCGDGIKBR-ZDEQEGDKSA-N 2 0 341.456 -0.250 20 0 EBADRP C[C@H]1[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001179303570 832968702 /nfs/dbraw/zinc/96/87/02/832968702.db2.gz HYSZWVRCKPIMBN-XUWVNRHRSA-N 2 0 335.452 -0.083 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179435534 832977948 /nfs/dbraw/zinc/97/79/48/832977948.db2.gz UOQVOBMEJXKXAP-RYUDHWBXSA-N 2 0 327.429 -0.637 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCN(C)S(C)(=O)=O)CCN1C(=O)CCC[NH+](C)C ZINC001179435146 832978376 /nfs/dbraw/zinc/97/83/76/832978376.db2.gz LAPNDNMUZWSPKR-KBPBESRZSA-N 2 0 348.513 -0.201 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179472197 832981968 /nfs/dbraw/zinc/98/19/68/832981968.db2.gz IMMUUNUVBHDDGE-STQMWFEESA-N 2 0 341.456 -0.247 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)CCN1C(=O)CC[NH+](C)C ZINC001179481630 832982773 /nfs/dbraw/zinc/98/27/73/832982773.db2.gz KOCVPHZZXJDTNZ-AAEUAGOBSA-N 2 0 339.440 -0.495 20 0 EBADRP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212416333 837680088 /nfs/dbraw/zinc/68/00/88/837680088.db2.gz JECRZTIAIHGYLU-HUUCEWRRSA-N 2 0 329.441 -0.705 20 0 EBADRP COc1cncc(C[NH2+][C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)n1 ZINC001187121815 833903737 /nfs/dbraw/zinc/90/37/37/833903737.db2.gz MERAWBYSVKUOAF-CYBMUJFWSA-N 2 0 337.424 -0.246 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001187134991 833904807 /nfs/dbraw/zinc/90/48/07/833904807.db2.gz ADPMIBOTPDVWON-LLVKDONJSA-N 2 0 348.407 -0.593 20 0 EBADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187231319 833911967 /nfs/dbraw/zinc/91/19/67/833911967.db2.gz JNTSQLDLCQXYDM-CVEARBPZSA-N 2 0 345.484 -0.067 20 0 EBADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187825519 833971438 /nfs/dbraw/zinc/97/14/38/833971438.db2.gz ONODAOAEBZFLIB-UONOGXRCSA-N 2 0 325.457 -0.164 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001188145055 834013287 /nfs/dbraw/zinc/01/32/87/834013287.db2.gz CMNFAQOGDJASAZ-QWHCGFSZSA-N 2 0 341.456 -0.249 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001188158285 834017252 /nfs/dbraw/zinc/01/72/52/834017252.db2.gz KEAGGOVGIDVRDG-VXGBXAGGSA-N 2 0 327.429 -0.639 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001188158220 834017442 /nfs/dbraw/zinc/01/74/42/834017442.db2.gz ICPIYIUATJQLEH-CQSZACIVSA-N 2 0 346.497 -0.447 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213252560 837734321 /nfs/dbraw/zinc/73/43/21/837734321.db2.gz KQVGQTSDKXPVPZ-RRFJBIMHSA-N 2 0 343.468 -0.317 20 0 EBADRP CN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189819853 834194705 /nfs/dbraw/zinc/19/47/05/834194705.db2.gz BEYUFTLRPLQOKG-SOUVJXGZSA-N 2 0 338.452 -0.672 20 0 EBADRP C[N@H+](CCOCCO)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190221524 834246673 /nfs/dbraw/zinc/24/66/73/834246673.db2.gz DDIKZINZVVTVCU-HOTGVXAUSA-N 2 0 325.453 -0.130 20 0 EBADRP CO[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213371408 837758952 /nfs/dbraw/zinc/75/89/52/837758952.db2.gz YXHMGKOMUWGQJC-HUUCEWRRSA-N 2 0 336.436 -0.348 20 0 EBADRP CO[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378199 837761570 /nfs/dbraw/zinc/76/15/70/837761570.db2.gz GZVFAPSPDSURSD-ARFHVFGLSA-N 2 0 343.468 -0.051 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192045662 834599088 /nfs/dbraw/zinc/59/90/88/834599088.db2.gz HZRKNDNQDGGSJB-CHWSQXEVSA-N 2 0 341.456 -0.295 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@H]([N@H+](C)[C@H](C)C(=O)NC(N)=O)C1 ZINC001192947472 834770299 /nfs/dbraw/zinc/77/02/99/834770299.db2.gz IVWFOWYXRHSVQK-NEPJUHHUSA-N 2 0 327.429 -0.556 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@H]([N@H+](C)CCN2C(=O)CNC2=O)C1 ZINC001192947007 834770371 /nfs/dbraw/zinc/77/03/71/834770371.db2.gz GEJYVYGQVFKGHV-ZDUSSCGKSA-N 2 0 339.440 -0.587 20 0 EBADRP C[N@H+](C[C@H](O)Cn1cccn1)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193499520 834892467 /nfs/dbraw/zinc/89/24/67/834892467.db2.gz JHCCUUGHGDTVKQ-HOTGVXAUSA-N 2 0 347.463 -0.128 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CCN2CCNC2=O)C1 ZINC001193640258 834919829 /nfs/dbraw/zinc/91/98/29/834919829.db2.gz FAQWNZDNVXWGGS-CQSZACIVSA-N 2 0 325.457 -0.114 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194039833 835005124 /nfs/dbraw/zinc/00/51/24/835005124.db2.gz MZTZITACMUEWCC-RYUDHWBXSA-N 2 0 325.413 -0.802 20 0 EBADRP COCCOC[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194293708 835075583 /nfs/dbraw/zinc/07/55/83/835075583.db2.gz ITUFASRQZVPAPO-CVEARBPZSA-N 2 0 345.484 -0.117 20 0 EBADRP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194832483 835154667 /nfs/dbraw/zinc/15/46/67/835154667.db2.gz PMVFIBCSPXDQON-VXSWHIBVSA-N 2 0 339.436 -0.953 20 0 EBADRP C[C@H](C(=O)NC(C)(C)C)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708051 835275515 /nfs/dbraw/zinc/27/55/15/835275515.db2.gz CYLLYVUPICQGFF-MGPQQGTHSA-N 2 0 342.484 -0.207 20 0 EBADRP CCN(CC)C(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708608 835276348 /nfs/dbraw/zinc/27/63/48/835276348.db2.gz PPHOSKAMSQAWJF-RRFJBIMHSA-N 2 0 342.484 -0.254 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001195865955 835302489 /nfs/dbraw/zinc/30/24/89/835302489.db2.gz RJQBQXQIPOHLNA-JKSUJKDBSA-N 2 0 325.453 -0.130 20 0 EBADRP CC[C@H](C(=O)N1CCC[N@H+](C[C@H](O)COCCOC)CC1)[NH+](C)C ZINC001196282926 835385679 /nfs/dbraw/zinc/38/56/79/835385679.db2.gz ZKRYKIMVUSDJKR-JKSUJKDBSA-N 2 0 345.484 -0.115 20 0 EBADRP CCCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197048451 835498530 /nfs/dbraw/zinc/49/85/30/835498530.db2.gz BJZQXHXEQAJQJD-BFHYXJOUSA-N 2 0 328.457 -0.596 20 0 EBADRP CCOC1CC(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C2)C1 ZINC001197825989 835613769 /nfs/dbraw/zinc/61/37/69/835613769.db2.gz KLMSMBJVPMMMBZ-QDIHITRGSA-N 2 0 343.468 -0.459 20 0 EBADRP C[C@@H](C(=O)N(C)C)N1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197831655 835614096 /nfs/dbraw/zinc/61/40/96/835614096.db2.gz AZVOISWDDXWYRH-AWEZNQCLSA-N 2 0 328.457 -0.424 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729711 835716439 /nfs/dbraw/zinc/71/64/39/835716439.db2.gz YVCXFLXMXRLBMV-BZUAXINKSA-N 2 0 343.468 -0.579 20 0 EBADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1O ZINC001199056940 835755665 /nfs/dbraw/zinc/75/56/65/835755665.db2.gz BHAXFPNLAKCOBJ-HUUCEWRRSA-N 2 0 329.441 -0.967 20 0 EBADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1O ZINC001199057625 835757696 /nfs/dbraw/zinc/75/76/96/835757696.db2.gz OGUBXBGEDGGZMV-HZPDHXFCSA-N 2 0 335.452 -0.080 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1 ZINC001199787523 835860599 /nfs/dbraw/zinc/86/05/99/835860599.db2.gz ARNXBRZNSDFLLS-ZDUSSCGKSA-N 2 0 332.470 -0.790 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001199826418 835866766 /nfs/dbraw/zinc/86/67/66/835866766.db2.gz KOMXDRKUDQMBMR-JKSUJKDBSA-N 2 0 335.452 -0.081 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200123283 835914053 /nfs/dbraw/zinc/91/40/53/835914053.db2.gz MHMAYCWEZCLBSY-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP CN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001200658502 836010437 /nfs/dbraw/zinc/01/04/37/836010437.db2.gz OPUPPVXIWCBISG-LSDHHAIUSA-N 2 0 338.452 -0.482 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200803780 836036605 /nfs/dbraw/zinc/03/66/05/836036605.db2.gz BKBURUMEFILIKA-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)CCCO1 ZINC001200893270 836062006 /nfs/dbraw/zinc/06/20/06/836062006.db2.gz AEWCXTNXTBHTFD-OAHLLOKOSA-N 2 0 345.403 -0.099 20 0 EBADRP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001201033536 836083867 /nfs/dbraw/zinc/08/38/67/836083867.db2.gz OBMGXQUKZJVCNP-GWUWNPHMSA-N 2 0 339.436 -0.951 20 0 EBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCCO1)C(N)=O ZINC001201128222 836099227 /nfs/dbraw/zinc/09/92/27/836099227.db2.gz GCAGMJAJYDLXIM-ZIAGYGMSSA-N 2 0 340.468 -0.058 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001201277602 836122158 /nfs/dbraw/zinc/12/21/58/836122158.db2.gz VEIMWAGGHIGOLK-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCCO[C@H](C[NH2+]CCOCCO)C2)CC1 ZINC001201309207 836127323 /nfs/dbraw/zinc/12/73/23/836127323.db2.gz MEBDMIDFTWLMFQ-MRXNPFEDSA-N 2 0 343.468 -0.456 20 0 EBADRP C[NH+](C)CCC(=O)N1CCCO[C@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001201318448 836128153 /nfs/dbraw/zinc/12/81/53/836128153.db2.gz NAXADIQQNRFCKY-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP CN(C(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1)C1CC1 ZINC001201319068 836128555 /nfs/dbraw/zinc/12/85/55/836128555.db2.gz RNCBMVPKTKZHAD-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCCO1 ZINC001201343393 836131924 /nfs/dbraw/zinc/13/19/24/836131924.db2.gz FKNBGODNPWQFJM-GDBMZVCRSA-N 2 0 342.484 -0.084 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)CCCO1 ZINC001201402126 836140148 /nfs/dbraw/zinc/14/01/48/836140148.db2.gz BCUZZGDDHKWRMS-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201871335 836209192 /nfs/dbraw/zinc/20/91/92/836209192.db2.gz JAKJSWYVCGQTHQ-LSDHHAIUSA-N 2 0 341.452 -0.703 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCCO[C@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC001201864445 836209330 /nfs/dbraw/zinc/20/93/30/836209330.db2.gz XIDPEFBUEMGINA-JKSUJKDBSA-N 2 0 343.468 -0.192 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201872185 836209412 /nfs/dbraw/zinc/20/94/12/836209412.db2.gz LVOZIFQISITPPC-UONOGXRCSA-N 2 0 338.452 -0.576 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCCO[C@@H](C[NH2+]C[C@H](O)COC)C1 ZINC001201930616 836218836 /nfs/dbraw/zinc/21/88/36/836218836.db2.gz FLXNZSDRSZVLSN-GJZGRUSLSA-N 2 0 331.457 -0.457 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202057147 836242761 /nfs/dbraw/zinc/24/27/61/836242761.db2.gz CWVCLATWPHQVSE-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H]([NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1)C(=O)N(C)C ZINC001202058991 836245035 /nfs/dbraw/zinc/24/50/35/836245035.db2.gz NCUZIXFWSVKFGW-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001202066876 836247640 /nfs/dbraw/zinc/24/76/40/836247640.db2.gz CELTXINSKCBUQH-HUUCEWRRSA-N 2 0 329.441 -0.846 20 0 EBADRP C[C@@H]([NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CCCO1)C(N)=O ZINC001202133367 836259331 /nfs/dbraw/zinc/25/93/31/836259331.db2.gz FNTXKIJWBNVKAQ-CABCVRRESA-N 2 0 340.468 -0.057 20 0 EBADRP NC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCCO1 ZINC001202147539 836261704 /nfs/dbraw/zinc/26/17/04/836261704.db2.gz HNFNJLPOAPWGMJ-AWEZNQCLSA-N 2 0 326.441 -0.445 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001202163616 836266029 /nfs/dbraw/zinc/26/60/29/836266029.db2.gz HQOPYOJPIROXKO-CABCVRRESA-N 2 0 340.468 -0.236 20 0 EBADRP CC(C)[C@H](C(=O)N1CCC([NH2+][C@H](C)C(=O)NC(N)=O)CC1)[NH+](C)C ZINC001202354250 836293199 /nfs/dbraw/zinc/29/31/99/836293199.db2.gz XFDMJPVWKLEGMH-DGCLKSJQSA-N 2 0 341.456 -0.263 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC([NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001202991882 836376944 /nfs/dbraw/zinc/37/69/44/836376944.db2.gz TVJWDBIQYDZQPG-LLVKDONJSA-N 2 0 327.429 -0.508 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC([NH2+]CCN(C)S(C)(=O)=O)CC1 ZINC001203010352 836383192 /nfs/dbraw/zinc/38/31/92/836383192.db2.gz KRIJILKXVDCPKO-UHFFFAOYSA-N 2 0 348.513 -0.200 20 0 EBADRP CN(C)C(=O)C[NH2+]C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001203078319 836394123 /nfs/dbraw/zinc/39/41/23/836394123.db2.gz HDDZTTDTLGGTHW-UHFFFAOYSA-N 2 0 340.468 -0.234 20 0 EBADRP Cn1[nH]c(C[NH2+][C@@H]2C[C@H](NC(=O)CC[NH+](C)C)C23CCC3)nc1=O ZINC001203357389 836424974 /nfs/dbraw/zinc/42/49/74/836424974.db2.gz FKJRUNUBSLFZFD-NEPJUHHUSA-N 2 0 336.440 -0.423 20 0 EBADRP CCOCCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001203692904 836461389 /nfs/dbraw/zinc/46/13/89/836461389.db2.gz NQOCLOOXGPICPN-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001203692816 836461789 /nfs/dbraw/zinc/46/17/89/836461789.db2.gz LROFZSQELLGYFA-GFCCVEGCSA-N 2 0 339.440 -0.636 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]CCNS(C)(=O)=O)CC2)C1 ZINC001203699923 836463962 /nfs/dbraw/zinc/46/39/62/836463962.db2.gz XPCYQRJGYCPCAU-GFCCVEGCSA-N 2 0 332.470 -0.932 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C12CCC2 ZINC001203730095 836468983 /nfs/dbraw/zinc/46/89/83/836468983.db2.gz JCXZMJCGGHRUGX-RYUDHWBXSA-N 2 0 337.424 -0.706 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC([NH2+]CCN(C)S(C)(=O)=O)CC1 ZINC001203925105 836488638 /nfs/dbraw/zinc/48/86/38/836488638.db2.gz KWLOCTWADMAJDY-UHFFFAOYSA-N 2 0 348.513 -0.201 20 0 EBADRP CS(=O)(=O)CC[NH2+]CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001206874878 836687708 /nfs/dbraw/zinc/68/77/08/836687708.db2.gz MGCDOBJQOFSCSX-UHFFFAOYSA-N 2 0 343.493 -0.045 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC(C[NH2+]CCNS(C)(=O)=O)CC1 ZINC001206890603 836694291 /nfs/dbraw/zinc/69/42/91/836694291.db2.gz ZJELZTBLBLKCST-UHFFFAOYSA-N 2 0 348.513 -0.294 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001206953541 836727982 /nfs/dbraw/zinc/72/79/82/836727982.db2.gz QXDDJYAHLRLLHM-UHFFFAOYSA-N 2 0 327.429 -0.650 20 0 EBADRP COCCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001207687672 836845785 /nfs/dbraw/zinc/84/57/85/836845785.db2.gz ICXKHPRFVKAQST-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208014635 836922864 /nfs/dbraw/zinc/92/28/64/836922864.db2.gz RVNSMRFMQDDJBU-CHWSQXEVSA-N 2 0 339.440 -0.365 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208279350 836980844 /nfs/dbraw/zinc/98/08/44/836980844.db2.gz OBHUDZZNJZJAPT-OLZOCXBDSA-N 2 0 339.440 -0.364 20 0 EBADRP C[N@H+](CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)C1CCC1 ZINC001208339948 836999624 /nfs/dbraw/zinc/99/96/24/836999624.db2.gz HLZFXNNISHMWFV-LLVKDONJSA-N 2 0 325.413 -0.754 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001208422779 837029805 /nfs/dbraw/zinc/02/98/05/837029805.db2.gz AWRKDDCHTBBLSX-CHWSQXEVSA-N 2 0 339.440 -0.493 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001208491411 837064718 /nfs/dbraw/zinc/06/47/18/837064718.db2.gz ILCBJSZHEVJTEF-GFCCVEGCSA-N 2 0 337.424 -0.610 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H]([NH2+]CCS(C)(=O)=O)C2)CC1 ZINC001209277729 837149705 /nfs/dbraw/zinc/14/97/05/837149705.db2.gz KHPLVLUQBWZXPY-CYBMUJFWSA-N 2 0 331.482 -0.047 20 0 EBADRP CN(CC[NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)S(C)(=O)=O ZINC001209323955 837155582 /nfs/dbraw/zinc/15/55/82/837155582.db2.gz NPXUONWJMNFGES-AWEZNQCLSA-N 2 0 348.513 -0.200 20 0 EBADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209325024 837156193 /nfs/dbraw/zinc/15/61/93/837156193.db2.gz WJZRZLUWQAVEKC-CVEARBPZSA-N 2 0 345.484 -0.067 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209455478 837167425 /nfs/dbraw/zinc/16/74/25/837167425.db2.gz TWMXSUYIIRQIBR-OAHLLOKOSA-N 2 0 328.457 -0.329 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001209632921 837183575 /nfs/dbraw/zinc/18/35/75/837183575.db2.gz PBLGPNNASBFCGS-NWDGAFQWSA-N 2 0 325.413 -0.754 20 0 EBADRP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001210061042 837232117 /nfs/dbraw/zinc/23/21/17/837232117.db2.gz MXBWWVFYWLCFHW-AWEZNQCLSA-N 2 0 336.440 -0.615 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001210217274 837256296 /nfs/dbraw/zinc/25/62/96/837256296.db2.gz GBXCGYONQBFQAT-CYBMUJFWSA-N 2 0 341.456 -0.246 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001210217153 837256597 /nfs/dbraw/zinc/25/65/97/837256597.db2.gz DKUTZOROSQVALH-ZDUSSCGKSA-N 2 0 334.486 -0.542 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001210221328 837256667 /nfs/dbraw/zinc/25/66/67/837256667.db2.gz ZSAMIHZKLAJNOI-OLZOCXBDSA-N 2 0 341.456 -0.247 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+]CCNS(=O)(=O)CC)C1 ZINC001210217834 837257113 /nfs/dbraw/zinc/25/71/13/837257113.db2.gz MLHDRGMAYMUZNT-CQSZACIVSA-N 2 0 348.513 -0.152 20 0 EBADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315829 837268830 /nfs/dbraw/zinc/26/88/30/837268830.db2.gz WTLUWZXVWGOESU-ZIAGYGMSSA-N 2 0 341.456 -0.974 20 0 EBADRP CN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001210338767 837273374 /nfs/dbraw/zinc/27/33/74/837273374.db2.gz INJSATKXMWCAEP-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001210492406 837290751 /nfs/dbraw/zinc/29/07/51/837290751.db2.gz AXJSAPATGKUBIY-AWEZNQCLSA-N 2 0 348.513 -0.200 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001210668367 837316613 /nfs/dbraw/zinc/31/66/13/837316613.db2.gz MONNGLXQJYZPRS-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP CN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)COCC[NH+](C)C)C2)C1=O ZINC001210684987 837319603 /nfs/dbraw/zinc/31/96/03/837319603.db2.gz KYUZYGQKFKCDJF-KGLIPLIRSA-N 2 0 326.441 -0.624 20 0 EBADRP CN1CCC[C@H]([NH2+][C@@H]2CCCN(C(=O)COCC[NH+](C)C)C2)C1=O ZINC001210685302 837319984 /nfs/dbraw/zinc/31/99/84/837319984.db2.gz SFSRDJBIRNEKBN-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1)C(=O)N(C)C ZINC001210685801 837320139 /nfs/dbraw/zinc/32/01/39/837320139.db2.gz ZTUUFBNLJKJLRX-ZIAGYGMSSA-N 2 0 328.457 -0.378 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001210784285 837331341 /nfs/dbraw/zinc/33/13/41/837331341.db2.gz XOTUUOAHSWPMCX-LBPRGKRZSA-N 2 0 327.429 -0.506 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001210789005 837331557 /nfs/dbraw/zinc/33/15/57/837331557.db2.gz LRRYTGLGPPAAMA-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001211046631 837375761 /nfs/dbraw/zinc/37/57/61/837375761.db2.gz SGMINWCGNAFJFC-OWCLPIDISA-N 2 0 343.468 -0.600 20 0 EBADRP CCN1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCCCOC)C[C@H]2OC)C1 ZINC001213892341 837894437 /nfs/dbraw/zinc/89/44/37/837894437.db2.gz BBQMZLWAYREJHG-BZUAXINKSA-N 2 0 343.468 -0.051 20 0 EBADRP CC(=O)NCCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001319130028 838076355 /nfs/dbraw/zinc/07/63/55/838076355.db2.gz OMUOMEJKOXNMRO-HZPDHXFCSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]CCN1CCNC1=O ZINC001319204834 838086938 /nfs/dbraw/zinc/08/69/38/838086938.db2.gz IADYFYMHSOFUOQ-AWEZNQCLSA-N 2 0 337.468 -0.018 20 0 EBADRP C[C@H](CC[NH2+]Cc1cn(C)nn1)NC(=O)COC1CC[NH+](C)CC1 ZINC001320593378 838797603 /nfs/dbraw/zinc/79/76/03/838797603.db2.gz BDPAXONWPOXOSS-CYBMUJFWSA-N 2 0 338.456 -0.090 20 0 EBADRP CS(=O)(=O)NCC[NH2+]C/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001321065934 838896792 /nfs/dbraw/zinc/89/67/92/838896792.db2.gz WZIKIAFRXRUHAF-BAABZTOOSA-N 2 0 344.481 -0.861 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CCN1C(=O)CCC1=O ZINC001321199712 838934004 /nfs/dbraw/zinc/93/40/04/838934004.db2.gz JKJSICYTGBUZGL-NQHOJNORSA-N 2 0 336.436 -0.118 20 0 EBADRP CC[C@@H](C(=O)NC/C=C/C[NH2+]CC(=O)N1CCO[C@H](C)C1)[NH+](C)C ZINC001321251672 838943679 /nfs/dbraw/zinc/94/36/79/838943679.db2.gz LPIDSXMODIOZJM-CNBITHIKSA-N 2 0 340.468 -0.164 20 0 EBADRP C[C@@H]([NH2+]C/C=C\CNC(=O)CC[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001321418025 838988220 /nfs/dbraw/zinc/98/82/20/838988220.db2.gz XHZIYWDYHBGQFZ-DHCBQETCSA-N 2 0 339.440 -0.292 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001322677409 839234081 /nfs/dbraw/zinc/23/40/81/839234081.db2.gz BBALVUNTANABJI-LBPRGKRZSA-N 2 0 341.456 -0.390 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001322796781 839265874 /nfs/dbraw/zinc/26/58/74/839265874.db2.gz QNYKJLJZANJMOG-CYBMUJFWSA-N 2 0 329.445 -0.534 20 0 EBADRP C[N@H+](CC(=O)N[C@@H](C[NH2+][C@H]1CCC(=O)NC1=O)C1CC1)C1CCC1 ZINC001323013762 839321938 /nfs/dbraw/zinc/32/19/38/839321938.db2.gz DXWSNFFUWTVRCB-KBPBESRZSA-N 2 0 336.436 -0.240 20 0 EBADRP O=C(N[C@@H](C[NH2+][C@@H]1CCC(=O)NC1=O)C1CC1)C12CC[NH+](CC1)C2 ZINC001323092672 839347213 /nfs/dbraw/zinc/34/72/13/839347213.db2.gz BLOVVWRKAFPXOV-OLZOCXBDSA-N 2 0 334.420 -0.628 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CCOCCO)C3)C2)C1 ZINC001323871679 839548838 /nfs/dbraw/zinc/54/88/38/839548838.db2.gz FBPIIDXIPDPITN-NVXWUHKLSA-N 2 0 325.453 -0.129 20 0 EBADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001325336757 839850022 /nfs/dbraw/zinc/85/00/22/839850022.db2.gz BAIVJNYTYDDLED-UONOGXRCSA-N 2 0 328.457 -0.426 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C)C2)n1 ZINC001326015319 840003528 /nfs/dbraw/zinc/00/35/28/840003528.db2.gz MIDHOALHNBEKQX-CYBMUJFWSA-N 2 0 336.440 -0.159 20 0 EBADRP COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001326276425 840078814 /nfs/dbraw/zinc/07/88/14/840078814.db2.gz AMHJXIJCSKPDHN-KBPBESRZSA-N 2 0 326.441 -0.719 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC001326547918 840131963 /nfs/dbraw/zinc/13/19/63/840131963.db2.gz JRYXCDHOPDLRBU-BFHYXJOUSA-N 2 0 348.451 -0.113 20 0 EBADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001326597914 840145433 /nfs/dbraw/zinc/14/54/33/840145433.db2.gz CVTCRYZVYLZYMW-QZTJIDSGSA-N 3 0 341.544 -0.542 20 0 EBADRP CN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)[C@H](C[NH3+])C1 ZINC001327505971 840438967 /nfs/dbraw/zinc/43/89/67/840438967.db2.gz VUSQSHCUQHNKSX-MGPQQGTHSA-N 2 0 325.457 -0.923 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC001327508625 840438994 /nfs/dbraw/zinc/43/89/94/840438994.db2.gz CHFGTEMISROWNX-CQSZACIVSA-N 2 0 327.473 -0.756 20 0 EBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001327516785 840442693 /nfs/dbraw/zinc/44/26/93/840442693.db2.gz WERWEHDKGOHWRO-ZDUSSCGKSA-N 2 0 340.468 -0.153 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2COC[C@@]2(C)C1 ZINC001327669898 840489779 /nfs/dbraw/zinc/48/97/79/840489779.db2.gz AIBDQFYAHOZPNI-WMLDXEAASA-N 2 0 340.468 -0.567 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001327956840 840556597 /nfs/dbraw/zinc/55/65/97/840556597.db2.gz GTPNKUQMTZOCGW-KBPBESRZSA-N 2 0 348.513 -0.298 20 0 EBADRP C[NH+](C)CC1(C(=O)NC2CC(C[NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001328903361 840783229 /nfs/dbraw/zinc/78/32/29/840783229.db2.gz AEHKMAASWQVMBU-WXRRBKDZSA-N 2 0 336.436 -0.382 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC001328959152 840798524 /nfs/dbraw/zinc/79/85/24/840798524.db2.gz JXHLDXCKOBCMMJ-LLVKDONJSA-N 2 0 330.348 -0.690 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC001329047267 840824897 /nfs/dbraw/zinc/82/48/97/840824897.db2.gz HDODLCZAATWMRU-GFCCVEGCSA-N 2 0 330.348 -0.690 20 0 EBADRP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@@H]1CCOC1 ZINC001330209096 841143621 /nfs/dbraw/zinc/14/36/21/841143621.db2.gz NOSGKADQAQVVTG-ZIAGYGMSSA-N 2 0 328.457 -0.521 20 0 EBADRP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001330528189 841229207 /nfs/dbraw/zinc/22/92/07/841229207.db2.gz KEBPEBZGAMSRAA-DZGCQCFKSA-N 2 0 338.452 -0.528 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC001331145214 841354674 /nfs/dbraw/zinc/35/46/74/841354674.db2.gz LRQBVKGYCQOPCW-AWEZNQCLSA-N 2 0 337.468 -0.907 20 0 EBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)CC1 ZINC001331193652 841368177 /nfs/dbraw/zinc/36/81/77/841368177.db2.gz XAPWLGOBWPJRTI-HNNXBMFYSA-N 2 0 337.468 -0.922 20 0 EBADRP C[NH+]1CCN(c2ccccc2CNC(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC001331499221 841416458 /nfs/dbraw/zinc/41/64/58/841416458.db2.gz WVNPZYHLHPPCMO-UHFFFAOYSA-N 2 0 347.463 -0.092 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)NCC2([NH3+])CCOCC2)CC1 ZINC001331558297 841425391 /nfs/dbraw/zinc/42/53/91/841425391.db2.gz BNXGVGQHTFZBFG-UHFFFAOYSA-N 2 0 327.473 -0.179 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC001331582805 841431629 /nfs/dbraw/zinc/43/16/29/841431629.db2.gz IGLBJDWPRWQSEY-UHFFFAOYSA-N 2 0 327.473 -0.673 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001331588875 841432839 /nfs/dbraw/zinc/43/28/39/841432839.db2.gz LHQYDQMXMWNVCM-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001331634883 841445785 /nfs/dbraw/zinc/44/57/85/841445785.db2.gz CKPOWNZWKUTOJS-RRFJBIMHSA-N 3 0 341.500 -0.844 20 0 EBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2([NH3+])CCOCC2)[C@H](C)C1 ZINC001331752681 841483117 /nfs/dbraw/zinc/48/31/17/841483117.db2.gz FOSPVTHLBZIWHM-ZIAGYGMSSA-N 2 0 340.468 -0.201 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC2([NH3+])CCOCC2)[C@@H](C)C1 ZINC001331752675 841483577 /nfs/dbraw/zinc/48/35/77/841483577.db2.gz FOSPVTHLBZIWHM-KBPBESRZSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001331927445 841532340 /nfs/dbraw/zinc/53/23/40/841532340.db2.gz BLEBFMKAUARSLM-OLZOCXBDSA-N 2 0 344.481 -0.790 20 0 EBADRP C[C@H]1[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001331927446 841532865 /nfs/dbraw/zinc/53/28/65/841532865.db2.gz BLEBFMKAUARSLM-QWHCGFSZSA-N 2 0 344.481 -0.790 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)C[C@@H]21 ZINC001332001808 841547029 /nfs/dbraw/zinc/54/70/29/841547029.db2.gz WYTSSSKCRWAKLU-DBIOUOCHSA-N 2 0 334.342 -0.503 20 0 EBADRP COCCCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001333153097 841806745 /nfs/dbraw/zinc/80/67/45/841806745.db2.gz IPKPCQXMTFZXQU-WLYUNCDWSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001333961378 841976234 /nfs/dbraw/zinc/97/62/34/841976234.db2.gz UWEFYCOWXJPRHA-KGLIPLIRSA-N 2 0 325.457 -0.922 20 0 EBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)C1 ZINC001334055664 841990034 /nfs/dbraw/zinc/99/00/34/841990034.db2.gz NUNYFXNCGJOEND-ZDUSSCGKSA-N 2 0 331.420 -0.013 20 0 EBADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC001334788616 842131634 /nfs/dbraw/zinc/13/16/34/842131634.db2.gz QLSDYJMXMMIQEG-KKUMJFAQSA-N 2 0 338.452 -0.888 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1)C[NH+]1CCN(C)CC1 ZINC001335195889 842220489 /nfs/dbraw/zinc/22/04/89/842220489.db2.gz DLZGOQWBBGVZCT-HUUCEWRRSA-N 2 0 339.484 -0.817 20 0 EBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001335233722 842235660 /nfs/dbraw/zinc/23/56/60/842235660.db2.gz HBGSHFKMLWUCRF-MCIONIFRSA-N 2 0 326.441 -0.842 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCNCC[NH2+]CC2)CC1 ZINC001335465805 842290476 /nfs/dbraw/zinc/29/04/76/842290476.db2.gz MLJCPEAHBOEQQS-INIZCTEOSA-N 2 0 340.516 -0.536 20 0 EBADRP COC[C@@]1(C(=O)NCCCC[NH+]2CCN(C)CC2)C[NH2+]CCO1 ZINC001336721664 842537925 /nfs/dbraw/zinc/53/79/25/842537925.db2.gz NUYCOTRPQACHDM-MRXNPFEDSA-N 2 0 328.457 -0.865 20 0 EBADRP C[N@H+]1C[C@H]2CN(C(=O)NCCC[NH+]3CCC[C@@H](C(N)=O)C3)C[C@H]2C1 ZINC001336735633 842538342 /nfs/dbraw/zinc/53/83/42/842538342.db2.gz NPEDILUYBVHYMH-KFWWJZLASA-N 2 0 337.468 -0.223 20 0 EBADRP CCN(C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC001337321778 842602674 /nfs/dbraw/zinc/60/26/74/842602674.db2.gz GTPIIVISQXBGJV-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001337531675 842628911 /nfs/dbraw/zinc/62/89/11/842628911.db2.gz OKNULYUFJJNJIS-MGPQQGTHSA-N 2 0 331.420 -0.028 20 0 EBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001340075168 842968557 /nfs/dbraw/zinc/96/85/57/842968557.db2.gz MZGXVQHPZNAIAV-MCIONIFRSA-N 2 0 328.457 -0.738 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC001340206286 842981538 /nfs/dbraw/zinc/98/15/38/842981538.db2.gz QTKKWMXSZABIOJ-WWGRRREGSA-N 2 0 326.441 -0.842 20 0 EBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001340248248 842984239 /nfs/dbraw/zinc/98/42/39/842984239.db2.gz HYQQQPFJESKXLS-WBVHZDCISA-N 3 0 349.479 -0.074 20 0 EBADRP [NH3+]CCN1CCC[C@H](C(=O)NCCC[NH+]2CCC(O)CC2)C1=O ZINC001340808890 843032146 /nfs/dbraw/zinc/03/21/46/843032146.db2.gz PEYJMGKRIUDBID-CQSZACIVSA-N 2 0 326.441 -0.853 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21 ZINC001340821052 843033592 /nfs/dbraw/zinc/03/35/92/843033592.db2.gz JGXJBUOEGRICDO-MCIONIFRSA-N 2 0 347.481 -0.906 20 0 EBADRP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@@H]1CCCOC1 ZINC001343313509 843219558 /nfs/dbraw/zinc/21/95/58/843219558.db2.gz YTDGNTBBLGIRGM-HUUCEWRRSA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C[C@@H](C)O1 ZINC001343371427 843229366 /nfs/dbraw/zinc/22/93/66/843229366.db2.gz KTSAFPGLABJAJP-KFWWJZLASA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH+](C)CCCCC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001345795329 843448735 /nfs/dbraw/zinc/44/87/35/843448735.db2.gz YWFWVOZSGXMJGE-GJZGRUSLSA-N 2 0 342.484 -0.252 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC001345944378 843464523 /nfs/dbraw/zinc/46/45/23/843464523.db2.gz ICCZIDMORZWIHF-RRFJBIMHSA-N 2 0 337.468 -0.861 20 0 EBADRP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@@H+]1C ZINC001346156027 843482178 /nfs/dbraw/zinc/48/21/78/843482178.db2.gz LUOYOUJZKMGGRK-STQMWFEESA-N 2 0 336.440 -0.018 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001346208148 843487521 /nfs/dbraw/zinc/48/75/21/843487521.db2.gz NKZBFENGRRXDKZ-HNNXBMFYSA-N 2 0 327.473 -0.358 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC001346283039 843498169 /nfs/dbraw/zinc/49/81/69/843498169.db2.gz QVHJYAWVXJBIDD-UHFFFAOYSA-N 2 0 339.484 -0.626 20 0 EBADRP C[C@@H](NC(=O)NCCN(C)CCC[NH+](C)C)[C@H]1C[N@H+](C)CCN1C ZINC001346766432 843550335 /nfs/dbraw/zinc/55/03/35/843550335.db2.gz INFQVVPAFRLGKL-HZPDHXFCSA-N 2 0 342.532 -0.197 20 0 EBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC001347670974 843637810 /nfs/dbraw/zinc/63/78/10/843637810.db2.gz KWEDPVPEFDOCDZ-ZACQAIPSSA-N 2 0 335.496 -0.387 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001349033618 843796125 /nfs/dbraw/zinc/79/61/25/843796125.db2.gz UVBWEDIKHIPMGN-LSDHHAIUSA-N 2 0 340.468 -0.471 20 0 EBADRP CC[NH+](CC)CC(=O)NCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001349049857 843799924 /nfs/dbraw/zinc/79/99/24/843799924.db2.gz OKMDLZNGJSILGI-CQSZACIVSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCCOCCF)C[C@H]1C[NH+](C)C ZINC001349453718 843906946 /nfs/dbraw/zinc/90/69/46/843906946.db2.gz YHLFRKINDFXLNU-ZIAGYGMSSA-N 2 0 346.447 -0.714 20 0 EBADRP CN1CCN(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC001349725380 843931052 /nfs/dbraw/zinc/93/10/52/843931052.db2.gz WRCMRQLTMUXGIE-HZPDHXFCSA-N 3 0 325.501 -0.568 20 0 EBADRP CC(C)([NH3+])CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001350021386 843958660 /nfs/dbraw/zinc/95/86/60/843958660.db2.gz VGQUARLLJIYKOS-ZDUSSCGKSA-N 2 0 340.468 -0.153 20 0 EBADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575272307 949642384 /nfs/dbraw/zinc/64/23/84/949642384.db2.gz ORWFYLGDHZQUNJ-WDEREUQCSA-N 2 0 332.412 -0.060 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576198917 950418433 /nfs/dbraw/zinc/41/84/33/950418433.db2.gz WQDVSDMFKBGLPK-GFCCVEGCSA-N 2 0 344.423 -0.104 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H](NC(=O)COCC[NH+](C)C)C1)[NH+](C)C ZINC001687169659 1125794502 /nfs/dbraw/zinc/79/45/02/1125794502.db2.gz IIYVRUBRPPEVAT-ZIAGYGMSSA-N 2 0 328.457 -0.378 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]CCN1C(=O)CCC1=O)C1CC1 ZINC001670555519 1125808271 /nfs/dbraw/zinc/80/82/71/1125808271.db2.gz AMFMOABDYHRDMH-AWEZNQCLSA-N 2 0 336.436 -0.284 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1CCCN1C(=O)CNC1=O ZINC001670687291 1125812877 /nfs/dbraw/zinc/81/28/77/1125812877.db2.gz QNNGXNURSDIRQL-GFCCVEGCSA-N 2 0 325.413 -0.930 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1CCN1C(=O)CNC1=O ZINC001691102383 1125833705 /nfs/dbraw/zinc/83/37/05/1125833705.db2.gz HFJWWRGXMZZEIN-ZDUSSCGKSA-N 2 0 339.440 -0.539 20 0 EBADRP CN(CC[NH2+]C[C@H](O)CN1CCCC1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001691278010 1125847550 /nfs/dbraw/zinc/84/75/50/1125847550.db2.gz PVZHNSBFLDMJBD-KBPBESRZSA-N 2 0 326.441 -0.888 20 0 EBADRP CN(CC[NH2+]Cc1cnnn1C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001691361890 1125853775 /nfs/dbraw/zinc/85/37/75/1125853775.db2.gz AGOSQYMFSCRJTF-UHFFFAOYSA-N 2 0 338.456 -0.279 20 0 EBADRP CCN1CCO[C@H](C(=O)N(C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001408575355 1125869855 /nfs/dbraw/zinc/86/98/55/1125869855.db2.gz VPXPYKGXIBJUGN-KGLIPLIRSA-N 2 0 326.441 -0.767 20 0 EBADRP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CCC(=O)NC1=O ZINC001481136612 1125930059 /nfs/dbraw/zinc/93/00/59/1125930059.db2.gz KDFZPWVZHWTTJE-MCIONIFRSA-N 2 0 338.452 -0.040 20 0 EBADRP CN(CC[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001481215497 1125945227 /nfs/dbraw/zinc/94/52/27/1125945227.db2.gz JREBLYXXXVNOQJ-ZIAGYGMSSA-N 2 0 348.451 -0.332 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CCN(C)S(C)(=O)=O)CC[N@@H+]1C ZINC001481231469 1125948454 /nfs/dbraw/zinc/94/84/54/1125948454.db2.gz BVVHNBAEXRQSCG-UONOGXRCSA-N 2 0 348.513 -0.344 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001481246956 1125951993 /nfs/dbraw/zinc/95/19/93/1125951993.db2.gz DAPGGMGDGFQPLZ-ZDUSSCGKSA-N 2 0 341.456 -0.246 20 0 EBADRP CN(CC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C(=O)C12CC[NH+](CC1)C2 ZINC001481304138 1125969505 /nfs/dbraw/zinc/96/95/05/1125969505.db2.gz JSUZZXCOAPXELY-ZDUSSCGKSA-N 2 0 329.466 -0.435 20 0 EBADRP CN(CC[NH2+]C[C@@H](O)COCC(F)(F)F)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481314953 1125971138 /nfs/dbraw/zinc/97/11/38/1125971138.db2.gz NZOCPKPLFZSZQJ-VXGBXAGGSA-N 2 0 341.374 -0.074 20 0 EBADRP O=C(NCC[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001481455606 1125993414 /nfs/dbraw/zinc/99/34/14/1125993414.db2.gz BIHPRWCKHRWLOU-ZIAGYGMSSA-N 2 0 348.447 -0.284 20 0 EBADRP CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001481880480 1126063927 /nfs/dbraw/zinc/06/39/27/1126063927.db2.gz FMMWJGWMSPLBPT-OLZOCXBDSA-N 2 0 341.456 -0.070 20 0 EBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)NCc1cccnc1 ZINC001482169485 1126090230 /nfs/dbraw/zinc/09/02/30/1126090230.db2.gz TWVMSCGHHJUPQI-GOEBONIOSA-N 2 0 347.463 -0.009 20 0 EBADRP C[C@@H]([NH2+]C1(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CCCC1)C(N)=O ZINC001482237045 1126109810 /nfs/dbraw/zinc/10/98/10/1126109810.db2.gz RSBINSVGTWWKTC-UONOGXRCSA-N 2 0 340.468 -0.153 20 0 EBADRP C[C@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001482291691 1126121052 /nfs/dbraw/zinc/12/10/52/1126121052.db2.gz LZDMCDYUFQYAHA-CYBMUJFWSA-N 2 0 348.513 -0.201 20 0 EBADRP C[C@@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001482297524 1126122266 /nfs/dbraw/zinc/12/22/66/1126122266.db2.gz CRHWBSXEUTXTKS-UONOGXRCSA-N 2 0 340.468 -0.330 20 0 EBADRP CC(C)C[C@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001482397728 1126144271 /nfs/dbraw/zinc/14/42/71/1126144271.db2.gz CVMIPTHZRRMSPB-QWHCGFSZSA-N 2 0 341.456 -0.214 20 0 EBADRP C[NH+](C)[C@H](CNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)C1CC1 ZINC001648966003 1126172876 /nfs/dbraw/zinc/17/28/76/1126172876.db2.gz BFLCQVDHPLNDDG-AAVRWANBSA-N 2 0 329.466 -0.535 20 0 EBADRP C[N@H+](CCNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)C1CCCC1 ZINC001648970943 1126186227 /nfs/dbraw/zinc/18/62/27/1126186227.db2.gz DPBGOMGPJVWQEG-BPLDGKMQSA-N 2 0 343.493 0.000 20 0 EBADRP [NH3+]C1(CNC(=O)NCCCCCN2CC[NH2+]CC2)CCOCC1 ZINC001357516495 1126192973 /nfs/dbraw/zinc/19/29/73/1126192973.db2.gz BKJIMXRLTWWCEJ-UHFFFAOYSA-N 2 0 327.473 -0.131 20 0 EBADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001648987642 1126237993 /nfs/dbraw/zinc/23/79/93/1126237993.db2.gz RHVUYMIDCHUKGU-XPKDYRNWSA-N 2 0 336.436 -0.839 20 0 EBADRP Cc1nc(CNC[C@H](O)CNC(=O)[C@@H]2CN(C)CCO2)cs1 ZINC001482719183 1126257792 /nfs/dbraw/zinc/25/77/92/1126257792.db2.gz UWBMDPLYPFBIBF-STQMWFEESA-N 2 0 328.438 -0.651 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCCC2)CC[N@@H+]1C ZINC001482731444 1126262223 /nfs/dbraw/zinc/26/22/23/1126262223.db2.gz ULIRRWVKSGJJFE-SOUVJXGZSA-N 2 0 340.468 -0.594 20 0 EBADRP COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cn1 ZINC001482728159 1126268150 /nfs/dbraw/zinc/26/81/50/1126268150.db2.gz FKTDTYPJFDMTNL-HZPDHXFCSA-N 2 0 348.447 -0.001 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N2CCC2)C1 ZINC001482762363 1126280634 /nfs/dbraw/zinc/28/06/34/1126280634.db2.gz OSNYYUOLQSEBNX-LSDHHAIUSA-N 2 0 340.468 -0.593 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001482775532 1126285491 /nfs/dbraw/zinc/28/54/91/1126285491.db2.gz RUWPBLZNAQOFCP-CABCVRRESA-N 2 0 340.468 -0.405 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+]Cc1cc2n(n1)CCCC2 ZINC001482792539 1126288398 /nfs/dbraw/zinc/28/83/98/1126288398.db2.gz IXVAVVFDYRZGBE-MRXNPFEDSA-N 2 0 335.452 -0.118 20 0 EBADRP C[C@H]([NH2+]C[C@H](O)CNC(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001482784805 1126290082 /nfs/dbraw/zinc/29/00/82/1126290082.db2.gz MRYWSWLNGCFQKK-FZMZJTMJSA-N 2 0 326.441 -0.951 20 0 EBADRP C[C@H](CC[NH2+]CCN1CCNC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001482866613 1126299006 /nfs/dbraw/zinc/29/90/06/1126299006.db2.gz BFOUQOOCBUEWPE-CYBMUJFWSA-N 2 0 325.457 -0.162 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001482889147 1126300683 /nfs/dbraw/zinc/30/06/83/1126300683.db2.gz BMRAOZCWAVJFJT-NEPJUHHUSA-N 2 0 339.440 -0.589 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001482889154 1126300688 /nfs/dbraw/zinc/30/06/88/1126300688.db2.gz BMRAOZCWAVJFJT-RYUDHWBXSA-N 2 0 339.440 -0.589 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001482892256 1126300869 /nfs/dbraw/zinc/30/08/69/1126300869.db2.gz RZBILJHYWWOCQD-NSHDSACASA-N 2 0 325.413 -0.978 20 0 EBADRP CCN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482914530 1126302513 /nfs/dbraw/zinc/30/25/13/1126302513.db2.gz PGYUNLAINALRIB-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP CCN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001482950329 1126306204 /nfs/dbraw/zinc/30/62/04/1126306204.db2.gz NGYYLBQZJREGQJ-OAHLLOKOSA-N 2 0 340.468 -0.375 20 0 EBADRP CCN(CC[NH2+]CC(=O)NC(N)=O)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001482969393 1126307695 /nfs/dbraw/zinc/30/76/95/1126307695.db2.gz FYEIFJWDBYXHCG-TXEJJXNPSA-N 2 0 327.429 -0.508 20 0 EBADRP CN(CC[NH2+]CC(=O)NC[C@@H]1CCOC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001691556860 1126321708 /nfs/dbraw/zinc/32/17/08/1126321708.db2.gz ZLPXCRFLRIJRHZ-CABCVRRESA-N 2 0 340.468 -0.471 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC/C=C\C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001483082520 1126330504 /nfs/dbraw/zinc/33/05/04/1126330504.db2.gz REPMWXWGDUUBRE-ZRMMWKCHSA-N 2 0 337.424 -0.858 20 0 EBADRP O=C(NC/C=C\C[NH2+]C[C@@H](O)Cn1cccn1)C12CC[NH+](CC1)C2 ZINC001483083538 1126330630 /nfs/dbraw/zinc/33/06/30/1126330630.db2.gz LOXWQOQNSJCEPB-DJYNDVHFSA-N 2 0 333.436 -0.398 20 0 EBADRP CCn1ncnc1CNC/C=C/CNC(=O)[C@H]1CN(CC)CCO1 ZINC001483094904 1126331950 /nfs/dbraw/zinc/33/19/50/1126331950.db2.gz HOXLXPUMUVWLBT-VBROQKIQSA-N 2 0 336.440 -0.219 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001483138930 1126345387 /nfs/dbraw/zinc/34/53/87/1126345387.db2.gz RUKZKLUQOIXLFQ-AGIUHOORSA-N 2 0 343.472 -0.099 20 0 EBADRP C[C@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483156181 1126348128 /nfs/dbraw/zinc/34/81/28/1126348128.db2.gz KGZIRYVDNKQJHT-MNOVXSKESA-N 2 0 327.429 -0.462 20 0 EBADRP C[C@H](C[NH2+][C@H](C)C(=O)NC(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001483145565 1126346666 /nfs/dbraw/zinc/34/66/66/1126346666.db2.gz QUFGXSFBCDIVFY-GHMZBOCLSA-N 2 0 325.413 -0.708 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001483185734 1126351542 /nfs/dbraw/zinc/35/15/42/1126351542.db2.gz TVIBUBGUWOKXKA-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@@H]([NH2+]Cc1cnnn1C)[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001409382724 1126361058 /nfs/dbraw/zinc/36/10/58/1126361058.db2.gz IPESKHMJTLXLSS-OLZOCXBDSA-N 2 0 348.455 -0.130 20 0 EBADRP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001409630477 1126385908 /nfs/dbraw/zinc/38/59/08/1126385908.db2.gz QNIYXJZJMBWUCF-ZIAGYGMSSA-N 2 0 348.513 -0.344 20 0 EBADRP C[C@@H](CNC(=O)CCC[NH+](C)C)N(C)CC(=O)N1CCOCC1 ZINC001409643163 1126387277 /nfs/dbraw/zinc/38/72/77/1126387277.db2.gz YVYDMTSULIRBAV-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP C[C@@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001483240666 1126409263 /nfs/dbraw/zinc/40/92/63/1126409263.db2.gz JZNRGKYUXKEZLD-SOUVJXGZSA-N 2 0 340.468 -0.452 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483260077 1126411473 /nfs/dbraw/zinc/41/14/73/1126411473.db2.gz YVRQJHJQPZKICH-CYDGBPFRSA-N 2 0 341.456 -0.345 20 0 EBADRP CN(CCC[NH2+]CC(=O)N1CCOCC1)C(=O)C[N@H+](C)C1CCC1 ZINC001483470021 1126429293 /nfs/dbraw/zinc/42/92/93/1126429293.db2.gz GYYKTCMDDWKBBN-UHFFFAOYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[C@@H](C[N@H+](C)CCCS(=O)(=O)N(C)C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001483417534 1126426099 /nfs/dbraw/zinc/42/60/99/1126426099.db2.gz MHNYTFMHVUJDDV-KBPBESRZSA-N 2 0 348.513 -0.344 20 0 EBADRP CC1CC[NH+](CC(=O)N(C)CCC[NH2+]CC(=O)NC(N)=O)CC1 ZINC001483499529 1126431322 /nfs/dbraw/zinc/43/13/22/1126431322.db2.gz PISRBCSUFXSXID-UHFFFAOYSA-N 2 0 327.429 -0.649 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001483512263 1126432322 /nfs/dbraw/zinc/43/23/22/1126432322.db2.gz UBKNAZXXAONRSF-CHWSQXEVSA-N 2 0 341.456 -0.247 20 0 EBADRP CC1CC[NH+](CC(=O)NCC2([NH2+][C@H]3CCC(=O)NC3=O)CC2)CC1 ZINC001483780026 1126476472 /nfs/dbraw/zinc/47/64/72/1126476472.db2.gz XPMUVNLBBPVQEH-ZDUSSCGKSA-N 2 0 336.436 -0.238 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001483789990 1126477247 /nfs/dbraw/zinc/47/72/47/1126477247.db2.gz AGZFNBFTKPYBQD-RYUDHWBXSA-N 2 0 339.440 -0.589 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCNS(C)(=O)=O)CC1 ZINC001483794671 1126478254 /nfs/dbraw/zinc/47/82/54/1126478254.db2.gz KOBBXYJVVNDOND-CYBMUJFWSA-N 2 0 346.497 -0.352 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001484120630 1126507716 /nfs/dbraw/zinc/50/77/16/1126507716.db2.gz QNFDBXXUKUAPHE-CXAGYDPISA-N 2 0 338.452 -0.038 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001484086098 1126505897 /nfs/dbraw/zinc/50/58/97/1126505897.db2.gz DSLZOFREPYENBA-YOEHRIQHSA-N 2 0 340.468 -0.330 20 0 EBADRP Cc1cccnc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001484210164 1126520663 /nfs/dbraw/zinc/52/06/63/1126520663.db2.gz CBRUZVDHYJOOOT-FUHWJXTLSA-N 2 0 348.447 -0.226 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@]1(O)CC[NH+]([C@H]2CCCN(C)C2=O)C1 ZINC001484249511 1126543291 /nfs/dbraw/zinc/54/32/91/1126543291.db2.gz XEPZVHHAZRVELM-WMLDXEAASA-N 2 0 340.468 -0.498 20 0 EBADRP CN(C(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001484490596 1126593906 /nfs/dbraw/zinc/59/39/06/1126593906.db2.gz FVFODNCNLKGNTE-HNNXBMFYSA-N 2 0 340.468 -0.498 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001484496098 1126597415 /nfs/dbraw/zinc/59/74/15/1126597415.db2.gz VTLIHGMJOOOBLT-GJZGRUSLSA-N 2 0 342.484 -0.204 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N(CCO)CC[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001484499616 1126598787 /nfs/dbraw/zinc/59/87/87/1126598787.db2.gz AZRBRJBYXINOPX-UONOGXRCSA-N 2 0 336.440 -0.872 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC001484513143 1126600715 /nfs/dbraw/zinc/60/07/15/1126600715.db2.gz MEIBMNTVFBRYMY-KBPBESRZSA-N 2 0 331.482 -0.047 20 0 EBADRP C[NH+](C)CCC(=O)NCC1([NH2+]CCN2C(=O)CNC2=O)CCC1 ZINC001484650226 1126613889 /nfs/dbraw/zinc/61/38/89/1126613889.db2.gz WJXZYKCIAQRAEY-UHFFFAOYSA-N 2 0 325.413 -0.882 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]CCOCCO)C2)CC[N@@H+]1C ZINC001484677445 1126618506 /nfs/dbraw/zinc/61/85/06/1126618506.db2.gz MCKFUDLJKNVAPN-RBSFLKMASA-N 2 0 329.441 -0.848 20 0 EBADRP C[NH+](C)CCc1ccccc1C(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001484683196 1126621017 /nfs/dbraw/zinc/62/10/17/1126621017.db2.gz APHYGZSLPJKEIJ-OAHLLOKOSA-N 2 0 348.447 -0.293 20 0 EBADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1)C(=O)NC1CC1 ZINC001484686654 1126621641 /nfs/dbraw/zinc/62/16/41/1126621641.db2.gz AFDHVLUGTAYSEO-GXTWGEPZSA-N 2 0 326.441 -0.578 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CC[C@@H](N2CC[NH+](CCO)CC2)C1 ZINC001484704262 1126623922 /nfs/dbraw/zinc/62/39/22/1126623922.db2.gz MZCGAULHBMTNOX-MRXNPFEDSA-N 2 0 326.485 -0.071 20 0 EBADRP CN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)CCCC[NH+](C)C)CCO2)C1=O ZINC001484695207 1126624524 /nfs/dbraw/zinc/62/45/24/1126624524.db2.gz ABZBOQKNSZGRDN-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@H](C[NH2+]CC(=O)N(C)CC)C1 ZINC001484696926 1126624948 /nfs/dbraw/zinc/62/49/48/1126624948.db2.gz QXTIPPCCLPRVDO-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001484721932 1126627535 /nfs/dbraw/zinc/62/75/35/1126627535.db2.gz DVIYBHQIQIPWNJ-GFCCVEGCSA-N 2 0 327.429 -0.636 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001484737275 1126628975 /nfs/dbraw/zinc/62/89/75/1126628975.db2.gz ZXYISWLMIRCQKW-NEPJUHHUSA-N 2 0 327.429 -0.556 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CCC[C@](CO)([NH2+]CCO)C2)CC1 ZINC001484853730 1126644697 /nfs/dbraw/zinc/64/46/97/1126644697.db2.gz HXYMYGVTWZFHKG-INIZCTEOSA-N 2 0 329.441 -0.967 20 0 EBADRP CNC(=O)C[NH2+]CC1(NC(=O)CC[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001484864735 1126647055 /nfs/dbraw/zinc/64/70/55/1126647055.db2.gz MYAUPZCMLBYCQQ-CQSZACIVSA-N 2 0 340.468 -0.138 20 0 EBADRP CN1CC[C@@H]([NH2+]CC2(NC(=O)C[NH+]3CCCC3)CCOCC2)C1=O ZINC001484871815 1126647786 /nfs/dbraw/zinc/64/77/86/1126647786.db2.gz HSOZZYVNCLCOJI-CQSZACIVSA-N 2 0 338.452 -0.432 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001484905428 1126652017 /nfs/dbraw/zinc/65/20/17/1126652017.db2.gz NVFRBMUDZDBQDL-NEPJUHHUSA-N 2 0 327.429 -0.650 20 0 EBADRP CCNC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001484955287 1126658387 /nfs/dbraw/zinc/65/83/87/1126658387.db2.gz XSSLABQGADNMLK-ZIAGYGMSSA-N 2 0 340.468 -0.594 20 0 EBADRP C[C@@H](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCN1C(=O)CCC1=O ZINC001485001446 1126662044 /nfs/dbraw/zinc/66/20/44/1126662044.db2.gz MKVWNAGJGGVKEW-KBPBESRZSA-N 2 0 338.452 -0.038 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001485069576 1126670964 /nfs/dbraw/zinc/67/09/64/1126670964.db2.gz QFEWVEPPVCKOJL-OLZOCXBDSA-N 2 0 341.456 -0.295 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001485069578 1126670980 /nfs/dbraw/zinc/67/09/80/1126670980.db2.gz QFEWVEPPVCKOJL-STQMWFEESA-N 2 0 341.456 -0.295 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001485101489 1126673832 /nfs/dbraw/zinc/67/38/32/1126673832.db2.gz SOCKIDYVUIHCMX-UHFFFAOYSA-N 2 0 327.429 -0.732 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C1CC1)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001485645407 1126788097 /nfs/dbraw/zinc/78/80/97/1126788097.db2.gz UUVXCQDYSPYUHS-DZGCQCFKSA-N 2 0 340.468 -0.330 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CCS(C)(=O)=O)C1 ZINC001485645397 1126788990 /nfs/dbraw/zinc/78/89/90/1126788990.db2.gz FISJPTOFQPXGRS-ZIAGYGMSSA-N 2 0 349.497 -0.422 20 0 EBADRP C[N@H+](CC(=O)N[C@H]1C[C@H](C[NH2+]CCS(C)(=O)=O)C1)C1CCC1 ZINC001485686357 1126799797 /nfs/dbraw/zinc/79/97/97/1126799797.db2.gz RDMQLAZNIQNTDM-JOCQHMNTSA-N 2 0 331.482 0.000 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001485693556 1126804754 /nfs/dbraw/zinc/80/47/54/1126804754.db2.gz GFXHFLQYODBQCI-KKUMJFAQSA-N 2 0 337.468 -0.020 20 0 EBADRP C[C@H](C(=O)N(C)C)[N@H+](C)CCOCCNC(=O)C1CC[NH+](C)CC1 ZINC001485776022 1126823313 /nfs/dbraw/zinc/82/33/13/1126823313.db2.gz IKUHIDLVAHMLLT-CQSZACIVSA-N 2 0 342.484 -0.131 20 0 EBADRP CN1CCO[C@H](C(=O)NCCOCC[N@H+](C)Cc2ccccn2)C1 ZINC001485770423 1126829458 /nfs/dbraw/zinc/82/94/58/1126829458.db2.gz OVGLAUIOZDTDPT-INIZCTEOSA-N 2 0 336.436 -0.023 20 0 EBADRP CC1(C)CC[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CS(=O)(=O)C3)[NH2+]C1 ZINC001649041048 1126862159 /nfs/dbraw/zinc/86/21/59/1126862159.db2.gz DITODHLASXSXJX-HUBLWGQQSA-N 2 0 329.466 -0.485 20 0 EBADRP C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)[NH2+]CCNS(C)(=O)=O ZINC001485895571 1126910827 /nfs/dbraw/zinc/91/08/27/1126910827.db2.gz MVEMWEMZXOYWDD-CYBMUJFWSA-N 2 0 346.497 -0.400 20 0 EBADRP C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]CCN1C(=O)CCC1=O ZINC001485921226 1126916480 /nfs/dbraw/zinc/91/64/80/1126916480.db2.gz ZYKZDZKOCVNWQH-ZDUSSCGKSA-N 2 0 338.452 -0.086 20 0 EBADRP CCN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001486048353 1126996255 /nfs/dbraw/zinc/99/62/55/1126996255.db2.gz LFLOPHMQMLGPGU-OAHLLOKOSA-N 2 0 342.484 -0.348 20 0 EBADRP COc1cc(C[NH2+][C@H](CO)CNC(=O)C[N@@H+]2CC[C@H](C)C2)ccn1 ZINC001486034876 1127004575 /nfs/dbraw/zinc/00/45/75/1127004575.db2.gz VQQFMFAFEHEYNC-ZFWWWQNUSA-N 2 0 336.436 -0.001 20 0 EBADRP CN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001486034655 1127004602 /nfs/dbraw/zinc/00/46/02/1127004602.db2.gz SPALWOPWVIDEIR-MLGOLLRUSA-N 2 0 346.447 -0.646 20 0 EBADRP Cn1nnc2cc(C[NH2+][C@H](CO)CNC(=O)C[NH+]3CCCC3)ccc21 ZINC001486062345 1127012453 /nfs/dbraw/zinc/01/24/53/1127012453.db2.gz VGKCVFFWHMGNJC-AWEZNQCLSA-N 2 0 346.435 -0.369 20 0 EBADRP CO[C@H](C[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2)C1CCC1 ZINC001486053332 1127022532 /nfs/dbraw/zinc/02/25/32/1127022532.db2.gz YVWRWQBFEMCJMH-LSDHHAIUSA-N 2 0 325.453 -0.036 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(=O)NC(=O)NC)C1 ZINC001486219183 1127063860 /nfs/dbraw/zinc/06/38/60/1127063860.db2.gz RNFQUNDKNGYFQR-OLZOCXBDSA-N 2 0 341.456 -0.342 20 0 EBADRP C[N@H+](CC(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)C(C)(C)C1)C1CCC1 ZINC001486235174 1127071764 /nfs/dbraw/zinc/07/17/64/1127071764.db2.gz SUDFBFPVUIJNTB-GFCCVEGCSA-N 2 0 339.440 -0.508 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001486284352 1127081245 /nfs/dbraw/zinc/08/12/45/1127081245.db2.gz HGWPTOYVUNEZQI-UONOGXRCSA-N 2 0 340.468 -0.594 20 0 EBADRP CN(C[C@@H](O)C[NH2+]Cc1cncs1)C(=O)[C@@H]1CN(C)CCO1 ZINC001486266364 1127089781 /nfs/dbraw/zinc/08/97/81/1127089781.db2.gz FEIMLABRBSTCBL-AAEUAGOBSA-N 2 0 328.438 -0.617 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CC1CCS(=O)(=O)CC1)C(=O)CC[NH+](C)C ZINC001486297279 1127105120 /nfs/dbraw/zinc/10/51/20/1127105120.db2.gz DQDMRIZFLIIHDV-AWEZNQCLSA-N 2 0 349.497 -0.828 20 0 EBADRP CN(C[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)CC1CC[NH+](C)CC1 ZINC001486302884 1127107288 /nfs/dbraw/zinc/10/72/88/1127107288.db2.gz HDXPAMGCDPFLCJ-LSDHHAIUSA-N 2 0 340.468 -0.642 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001486317384 1127119268 /nfs/dbraw/zinc/11/92/68/1127119268.db2.gz HEUKBBKSBUIVIU-UKRRQHHQSA-N 2 0 328.457 -0.738 20 0 EBADRP C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)C[N@H+](C)CC(C)(C)C)C(=O)N(C)C ZINC001486310885 1127123610 /nfs/dbraw/zinc/12/36/10/1127123610.db2.gz NKYXTPNYDKXUFM-KGLIPLIRSA-N 2 0 344.500 -0.150 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CC(=O)NC1CCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001486317859 1127120300 /nfs/dbraw/zinc/12/03/00/1127120300.db2.gz RIIUSPFNLDBXKZ-HIFRSBDPSA-N 2 0 340.468 -0.594 20 0 EBADRP CC[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001486356000 1127149746 /nfs/dbraw/zinc/14/97/46/1127149746.db2.gz LHWIVYSKOQGRFP-STQMWFEESA-N 2 0 326.441 -0.903 20 0 EBADRP C[C@H](NC(=O)CC[NH+](C)C)C1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001486448463 1127177039 /nfs/dbraw/zinc/17/70/39/1127177039.db2.gz ODLKIVVGNZAVCD-NSHDSACASA-N 2 0 327.429 -0.650 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](O)CNC(=O)C[NH+]2CCCC2)C1 ZINC001410106048 1127568751 /nfs/dbraw/zinc/56/87/51/1127568751.db2.gz DTXOPZSJKNJTNZ-ZIAGYGMSSA-N 2 0 326.441 -0.983 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC001410143738 1127606928 /nfs/dbraw/zinc/60/69/28/1127606928.db2.gz HVUJGQFHJJVZSH-QLFBSQMISA-N 2 0 342.484 -0.350 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001410234847 1127653007 /nfs/dbraw/zinc/65/30/07/1127653007.db2.gz HQLHHNIIWPTRCH-AVGNSLFASA-N 2 0 339.440 -0.460 20 0 EBADRP Cc1nc(C)n(CC[NH2+][C@H](C)CN(C)C(=O)[C@H]2CN(C)CCO2)n1 ZINC001410362180 1127688090 /nfs/dbraw/zinc/68/80/90/1127688090.db2.gz XGKMTYGORNUVCS-IUODEOHRSA-N 2 0 338.456 -0.338 20 0 EBADRP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001410514658 1127732293 /nfs/dbraw/zinc/73/22/93/1127732293.db2.gz VKKPZDWKJMTXJB-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001410514684 1127732316 /nfs/dbraw/zinc/73/23/16/1127732316.db2.gz VKKPZDWKJMTXJB-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1cccc(C(N)=O)c1 ZINC001410584711 1127759031 /nfs/dbraw/zinc/75/90/31/1127759031.db2.gz JWHNBFOPPMJPAL-GJZGRUSLSA-N 2 0 334.420 -0.554 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CCn2cc(Cl)cn2)CC[N@@H+]1C ZINC001410656209 1127794140 /nfs/dbraw/zinc/79/41/40/1127794140.db2.gz LJEXQSGQFOGZCS-KWCYVHTRSA-N 2 0 343.859 -0.057 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC2CCC2)CC[N@@H+]1C ZINC001410660893 1127797603 /nfs/dbraw/zinc/79/76/03/1127797603.db2.gz SLRDAQWVPWGGFT-VHDGCEQUSA-N 2 0 340.468 -0.690 20 0 EBADRP CCN1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2cnccc2C)C1 ZINC001410782825 1127886514 /nfs/dbraw/zinc/88/65/14/1127886514.db2.gz KFHGJKYMYNVQOS-CVEARBPZSA-N 2 0 336.436 -0.323 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001410978512 1127958206 /nfs/dbraw/zinc/95/82/06/1127958206.db2.gz ZKEYJECHHKDPHW-QWHCGFSZSA-N 2 0 338.456 -0.175 20 0 EBADRP C[NH+](C)CCCC(=O)N1C[C@H]([NH2+]CC(=O)NC(N)=O)C(C)(C)C1 ZINC001410984597 1127960681 /nfs/dbraw/zinc/96/06/81/1127960681.db2.gz MQSLAAVVEQZDEE-NSHDSACASA-N 2 0 327.429 -0.650 20 0 EBADRP CCCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001411075348 1128003481 /nfs/dbraw/zinc/00/34/81/1128003481.db2.gz BGYHUZAQFYGYBD-SOUVJXGZSA-N 2 0 342.484 -0.348 20 0 EBADRP CC(C)[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N1CCC1)[NH+](C)C ZINC001411085160 1128009014 /nfs/dbraw/zinc/00/90/14/1128009014.db2.gz OUSGRCBOKXNNTE-UKRRQHHQSA-N 2 0 328.457 -0.786 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001411098282 1128015242 /nfs/dbraw/zinc/01/52/42/1128015242.db2.gz NXLIHDAIXGUILC-UONOGXRCSA-N 2 0 328.457 -0.738 20 0 EBADRP CN(C[C@@H](O)C[NH2+][C@H]1CCCNC1=O)C(=O)C[N@H+](C)CC(C)(C)C ZINC001411105770 1128017839 /nfs/dbraw/zinc/01/78/39/1128017839.db2.gz UWDMFTSGFFVZGK-KBPBESRZSA-N 2 0 342.484 -0.348 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001411128258 1128027101 /nfs/dbraw/zinc/02/71/01/1128027101.db2.gz NKEUASXYSOTSJH-OAHLLOKOSA-N 2 0 342.484 -0.395 20 0 EBADRP CN(C[C@@H](O)C[N@H+](C)[C@@H]1CCNC1=O)C(=O)C[NH+](C)C1CCC1 ZINC001411169827 1128067237 /nfs/dbraw/zinc/06/72/37/1128067237.db2.gz PBHKCBIKSWCNIE-UONOGXRCSA-N 2 0 326.441 -0.890 20 0 EBADRP CN(C(=O)C1(C[NH+](C)C)CC1)C1CC([NH2+]CCS(C)(=O)=O)C1 ZINC001411243412 1128103039 /nfs/dbraw/zinc/10/30/39/1128103039.db2.gz CORONVOJZPYDMA-UHFFFAOYSA-N 2 0 331.482 -0.048 20 0 EBADRP CN(C)[C@@H](Cn1cccn1)C(=O)N1C[C@H]2C[N@H+](CC(N)=O)C[C@@]2(C)C1 ZINC001091736773 1128150998 /nfs/dbraw/zinc/15/09/98/1128150998.db2.gz BFLHQYUZXMXCLQ-KEYYUXOJSA-N 2 0 348.451 -0.921 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC(n2cc(C[NH2+]C[C@@H]3CCOC3)nn2)C1 ZINC001093308899 1128323357 /nfs/dbraw/zinc/32/33/57/1128323357.db2.gz OHOAQXJHGZLPST-XJKSGUPXSA-N 2 0 348.451 -0.118 20 0 EBADRP CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)nn1 ZINC001093343653 1128330769 /nfs/dbraw/zinc/33/07/69/1128330769.db2.gz KGOCJKSIKLAQAJ-ZDUSSCGKSA-N 2 0 336.440 -0.261 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@@H](CO)NC(=O)C12CC[NH+](CC1)C2 ZINC001488078837 1128613690 /nfs/dbraw/zinc/61/36/90/1128613690.db2.gz AIQYKNRRDIENTK-ZDUSSCGKSA-N 2 0 326.441 -0.983 20 0 EBADRP CN(C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)C1([NH+](C)C)CCC1 ZINC001488370072 1128707846 /nfs/dbraw/zinc/70/78/46/1128707846.db2.gz NJZANNAMUZFQAI-KBPBESRZSA-N 2 0 340.468 -0.642 20 0 EBADRP CN(C[C@H]1CC[N@@H+]1CCCN1C(=O)CNC1=O)C(=O)CC[NH+](C)C ZINC001488653432 1128813004 /nfs/dbraw/zinc/81/30/04/1128813004.db2.gz IZKJABQMCCYHSE-CYBMUJFWSA-N 2 0 339.440 -0.587 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001488717995 1128830289 /nfs/dbraw/zinc/83/02/89/1128830289.db2.gz QHRGQDYRUAVZKR-TUAOUCFPSA-N 2 0 325.413 -0.979 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1)C(=O)NC(N)=O ZINC001488790690 1128854319 /nfs/dbraw/zinc/85/43/19/1128854319.db2.gz YQVIGFDJVGMFHE-SDDRHHMPSA-N 2 0 337.424 -0.850 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C1 ZINC001489192341 1128928641 /nfs/dbraw/zinc/92/86/41/1128928641.db2.gz YGWTVNCGZFGJMX-RDBSUJKOSA-N 2 0 328.432 -0.068 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001489353969 1128965399 /nfs/dbraw/zinc/96/53/99/1128965399.db2.gz UPJDFYOYEIQWCN-KBUPBQIOSA-N 2 0 340.468 -0.645 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)C1 ZINC001489391979 1128975296 /nfs/dbraw/zinc/97/52/96/1128975296.db2.gz SCKOIXBKGPFWER-RRFJBIMHSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001489395826 1128976381 /nfs/dbraw/zinc/97/63/81/1128976381.db2.gz KASIMHRSCYOIEM-BFHYXJOUSA-N 2 0 346.447 -0.694 20 0 EBADRP CC(C)[C@@H](C(=O)N1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1)[NH+](C)C ZINC001489591194 1129021315 /nfs/dbraw/zinc/02/13/15/1129021315.db2.gz DVWYTVMGDOHCQS-YCPHGPKFSA-N 2 0 342.484 -0.399 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001490197181 1129146430 /nfs/dbraw/zinc/14/64/30/1129146430.db2.gz UKTFJMMXSQOVBR-WCQYABFASA-N 2 0 339.440 -0.650 20 0 EBADRP C[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)C[C@@H]1CCS(=O)(=O)C1 ZINC001490270401 1129155359 /nfs/dbraw/zinc/15/53/59/1129155359.db2.gz NDWSCDAJJHFSPY-AWEZNQCLSA-N 2 0 343.493 -0.045 20 0 EBADRP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)Cc1nc(=O)n(C)[nH]1 ZINC001490328804 1129165396 /nfs/dbraw/zinc/16/53/96/1129165396.db2.gz DMPIPAVJIZPQCE-CHWSQXEVSA-N 2 0 338.456 -0.223 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](C[C@H](C)O)CC1 ZINC001490494294 1129193616 /nfs/dbraw/zinc/19/36/16/1129193616.db2.gz XNRCPUKYSSPXIZ-HOTGVXAUSA-N 2 0 326.485 -0.025 20 0 EBADRP Cn1[nH]c(C[NH2+][C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C2CC2)nc1=O ZINC001490664009 1129242688 /nfs/dbraw/zinc/24/26/88/1129242688.db2.gz CAZQJPIAYLNVSJ-KBPBESRZSA-N 2 0 348.451 -0.565 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CC(=O)NC(N)=O)C2CC2)CC1 ZINC001490700860 1129249922 /nfs/dbraw/zinc/24/99/22/1129249922.db2.gz OBWPSMBHHVPLJX-GFCCVEGCSA-N 2 0 325.413 -0.993 20 0 EBADRP C[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)N1CCN(C)CC1 ZINC000870022305 1129265134 /nfs/dbraw/zinc/26/51/34/1129265134.db2.gz RJDMKJBODFVEQE-GVDBMIGSSA-N 2 0 339.528 -0.180 20 0 EBADRP CCN1CCOC[C@@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021187 1129265165 /nfs/dbraw/zinc/26/51/65/1129265165.db2.gz BXYVWCHHNZDCEY-BZUAXINKSA-N 2 0 326.485 -0.095 20 0 EBADRP O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)NCC[C@H]1CCC[NH2+]CC1 ZINC001649166348 1129270855 /nfs/dbraw/zinc/27/08/55/1129270855.db2.gz CWKZFWMORORLBN-GBJTYRQASA-N 2 0 343.493 -0.095 20 0 EBADRP CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1O)[NH+](C)C ZINC001414057484 1131365818 /nfs/dbraw/zinc/36/58/18/1131365818.db2.gz YTQCOSJQFRIJDI-IJEWVQPXSA-N 2 0 342.484 -0.399 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@H]1C[NH+](C)C ZINC001412448117 1129531038 /nfs/dbraw/zinc/53/10/38/1129531038.db2.gz SCJCCKOOFMLADN-CHWSQXEVSA-N 2 0 334.486 -0.877 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001412851450 1129732678 /nfs/dbraw/zinc/73/26/78/1129732678.db2.gz MJJQFBSDZLPYLQ-GJZGRUSLSA-N 2 0 340.468 -0.737 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001412879120 1129750443 /nfs/dbraw/zinc/75/04/43/1129750443.db2.gz LYVAZTQRKKIKAX-ZIAGYGMSSA-N 2 0 340.468 -0.452 20 0 EBADRP CN(C[C@@H](O)CNC(=O)C1([NH+](C)C)CCC1)C(=O)C[NH+]1CCCC1 ZINC001413265924 1129973736 /nfs/dbraw/zinc/97/37/36/1129973736.db2.gz MAURYHSCKLIVTI-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1)[NH+](C)C ZINC001413268774 1129980793 /nfs/dbraw/zinc/98/07/93/1129980793.db2.gz PYRLCKLUNYIBFF-ZIAGYGMSSA-N 2 0 328.457 -0.642 20 0 EBADRP CN(C[C@H](O)CNC(=O)C[NH+]1CCCC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001413288539 1129989861 /nfs/dbraw/zinc/98/98/61/1129989861.db2.gz TVKCQQKIHCERKO-HUUCEWRRSA-N 2 0 340.468 -0.498 20 0 EBADRP CN(C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)CC[NH+](C)C ZINC001413377837 1130063777 /nfs/dbraw/zinc/06/37/77/1130063777.db2.gz IVPHHLOBRVJKSP-CABCVRRESA-N 2 0 342.484 -0.300 20 0 EBADRP CN(C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)CC[NH+](C)C ZINC001413377839 1130063820 /nfs/dbraw/zinc/06/38/20/1130063820.db2.gz IVPHHLOBRVJKSP-GJZGRUSLSA-N 2 0 342.484 -0.300 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1)C(=O)NC(N)=O ZINC001490903134 1130234962 /nfs/dbraw/zinc/23/49/62/1130234962.db2.gz OOLSFWVICZLDDA-FIQHERPVSA-N 2 0 325.413 -0.709 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001490957689 1130273775 /nfs/dbraw/zinc/27/37/75/1130273775.db2.gz ZPVBWCQKWLWOLG-MGPQQGTHSA-N 2 0 336.440 -0.480 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001491069708 1130311526 /nfs/dbraw/zinc/31/15/26/1130311526.db2.gz MHLZJUOGZUOMSA-UPJWGTAASA-N 2 0 332.470 -0.886 20 0 EBADRP C[C@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)[NH2+]CC(=O)N(C)C ZINC001491495703 1130469558 /nfs/dbraw/zinc/46/95/58/1130469558.db2.gz PRHZNZVADHBACR-CYBMUJFWSA-N 2 0 328.457 -0.473 20 0 EBADRP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]C[C@@H](O)Cn1cccn1 ZINC001491513033 1130478625 /nfs/dbraw/zinc/47/86/25/1130478625.db2.gz JZUMPQZMQMCISV-HUUCEWRRSA-N 2 0 335.452 -0.033 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(=O)NC)C1 ZINC001491557651 1130528244 /nfs/dbraw/zinc/52/82/44/1130528244.db2.gz HCIRTCYNVUKYGT-OLZOCXBDSA-N 2 0 341.456 -0.342 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001479963257 1130748720 /nfs/dbraw/zinc/74/87/20/1130748720.db2.gz WMOBUCNKGOFGLU-LBPRGKRZSA-N 2 0 339.440 -0.541 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001356823058 1130961203 /nfs/dbraw/zinc/96/12/03/1130961203.db2.gz OVXPZHYYBXCLND-CQSZACIVSA-N 2 0 340.468 -0.519 20 0 EBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001362823801 1131686892 /nfs/dbraw/zinc/68/68/92/1131686892.db2.gz SYHIXYLDNLZANA-MGPQQGTHSA-N 2 0 326.441 -0.590 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C2=CCS(=O)(=O)C2)C[C@H]1C[NH+](C)C ZINC001363514424 1131985656 /nfs/dbraw/zinc/98/56/56/1131985656.db2.gz USIJVVOOUKKEQG-ZIAGYGMSSA-N 2 0 329.466 -0.461 20 0 EBADRP CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001365818660 1132817579 /nfs/dbraw/zinc/81/75/79/1132817579.db2.gz JUJWGRIUHFFNOF-TUAOUCFPSA-N 2 0 327.429 -0.733 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001365832297 1132823095 /nfs/dbraw/zinc/82/30/95/1132823095.db2.gz YRUBILQNYBUPKM-TXEJJXNPSA-N 2 0 327.429 -0.733 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001365845932 1132830596 /nfs/dbraw/zinc/83/05/96/1132830596.db2.gz NQUSTWPQQHAXHD-AVGNSLFASA-N 2 0 341.456 -0.343 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001365856165 1132835285 /nfs/dbraw/zinc/83/52/85/1132835285.db2.gz ATHHIRIMWXFDLY-OUCADQQQSA-N 2 0 341.456 -0.358 20 0 EBADRP CC[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001365882622 1132861109 /nfs/dbraw/zinc/86/11/09/1132861109.db2.gz FYTFHQJEIMJQQV-CHWSQXEVSA-N 2 0 341.456 -0.118 20 0 EBADRP CC[C@@H](C(=O)N[C@@H]1CCN(CC(=O)NC2CCOCC2)C1)[NH+](C)C ZINC001365997366 1132957477 /nfs/dbraw/zinc/95/74/77/1132957477.db2.gz NUZHEVQNNXNIEX-CABCVRRESA-N 2 0 340.468 -0.188 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC23CC[NH+](CC(=O)NC(N)=O)CC3)C1 ZINC001366014983 1132969968 /nfs/dbraw/zinc/96/99/68/1132969968.db2.gz OYBGVGZQFZUXHN-NEPJUHHUSA-N 2 0 337.424 -0.896 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]([NH2+]CC(=O)Nc2cnccn2)C2CC2)C1 ZINC001366075213 1132991343 /nfs/dbraw/zinc/99/13/43/1132991343.db2.gz GCDCEHHTTMWFGD-KGLIPLIRSA-N 2 0 346.435 -0.149 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001366107760 1133009615 /nfs/dbraw/zinc/00/96/15/1133009615.db2.gz DURLKOSWODKGEG-ZQDZILKHSA-N 2 0 338.452 -0.387 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001366156770 1133030773 /nfs/dbraw/zinc/03/07/73/1133030773.db2.gz VPANJASGXMALGS-BYNSBNAKSA-N 2 0 338.452 -0.530 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001366166057 1133034910 /nfs/dbraw/zinc/03/49/10/1133034910.db2.gz RADCDIUOKSALNT-RFQIPJPRSA-N 2 0 326.441 -0.674 20 0 EBADRP C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C)C(=O)NC(N)=O ZINC001366221734 1133062234 /nfs/dbraw/zinc/06/22/34/1133062234.db2.gz ZKSUUWMPBYPFGT-NEPJUHHUSA-N 2 0 327.429 -0.508 20 0 EBADRP CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21)[NH+](C)C ZINC001366238204 1133070411 /nfs/dbraw/zinc/07/04/11/1133070411.db2.gz YHZOEHLIVSACSO-UHDSXZAQSA-N 2 0 349.479 -0.123 20 0 EBADRP C[C@@H]([NH2+]C1CCC(NC(=O)CCC[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001366248067 1133072750 /nfs/dbraw/zinc/07/27/50/1133072750.db2.gz KWBANACXMXXZST-PNESKVBLSA-N 2 0 341.456 -0.071 20 0 EBADRP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001366289612 1133086796 /nfs/dbraw/zinc/08/67/96/1133086796.db2.gz SLSJALXIWKLBJO-UONOGXRCSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001366339179 1133103988 /nfs/dbraw/zinc/10/39/88/1133103988.db2.gz CAQAVWIZURUSRG-NSHDSACASA-N 2 0 337.424 -0.835 20 0 EBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NCc1cccnc1 ZINC001366358022 1133110350 /nfs/dbraw/zinc/11/03/50/1133110350.db2.gz MTQCDPFOOOMPQZ-CQSZACIVSA-N 2 0 333.436 -0.112 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001366365730 1133113925 /nfs/dbraw/zinc/11/39/25/1133113925.db2.gz KUYLHPUGZWRKCV-ZIAGYGMSSA-N 2 0 348.513 -0.298 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001366367234 1133114094 /nfs/dbraw/zinc/11/40/94/1133114094.db2.gz WFRBMFHDNLKHNP-OLZOCXBDSA-N 2 0 341.456 -0.199 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001366385162 1133123531 /nfs/dbraw/zinc/12/35/31/1133123531.db2.gz GRLPWLHFLBTJMF-ZDUSSCGKSA-N 2 0 339.440 -0.636 20 0 EBADRP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001366394949 1133128514 /nfs/dbraw/zinc/12/85/14/1133128514.db2.gz ZOWPIMDJGNVTTA-UONOGXRCSA-N 2 0 329.441 -0.705 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CC(=O)Nc3cnccn3)C2)C1 ZINC001366398787 1133130699 /nfs/dbraw/zinc/13/06/99/1133130699.db2.gz ZPPSWNKVKXJZIB-KBPBESRZSA-N 2 0 346.435 -0.053 20 0 EBADRP CCN1CCO[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001366404387 1133132182 /nfs/dbraw/zinc/13/21/82/1133132182.db2.gz BIHMOLIDWGVDAB-LSDHHAIUSA-N 2 0 338.452 -0.623 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001366440064 1133145664 /nfs/dbraw/zinc/14/56/64/1133145664.db2.gz YTOZRXIMLKTUER-OLZOCXBDSA-N 2 0 339.440 -0.412 20 0 EBADRP C[C@H](CCNC(=O)C[NH+]1CCC(C)CC1)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001366485153 1133155924 /nfs/dbraw/zinc/15/59/24/1133155924.db2.gz DSQLGSNBAOSBSR-CHWSQXEVSA-N 2 0 341.456 -0.214 20 0 EBADRP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)N1CCOCC1 ZINC001366482454 1133156592 /nfs/dbraw/zinc/15/65/92/1133156592.db2.gz FYYASTAYMAQZEZ-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nnc2n1CCOC2 ZINC001366513467 1133162956 /nfs/dbraw/zinc/16/29/56/1133162956.db2.gz ZMQPQRAEVGVYDW-QWHCGFSZSA-N 2 0 336.440 -0.256 20 0 EBADRP C[C@H](CCNC(=O)CC[NH+]1CCCCC1)[NH2+]CC(=O)NC(N)=O ZINC001366515810 1133163824 /nfs/dbraw/zinc/16/38/24/1133163824.db2.gz ZMSLRXXJWDTCTH-GFCCVEGCSA-N 2 0 327.429 -0.458 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001367094841 1133473548 /nfs/dbraw/zinc/47/35/48/1133473548.db2.gz UDATVVHNUHOOTG-VXGBXAGGSA-N 2 0 327.429 -0.589 20 0 EBADRP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)NC(=O)NC ZINC001367096214 1133473603 /nfs/dbraw/zinc/47/36/03/1133473603.db2.gz ALXOEEAJUXWMMT-RYUDHWBXSA-N 2 0 327.429 -0.589 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@](C)(C[NH2+]CC(=O)NC(N)=O)C2CC2)C1 ZINC001367196502 1133499546 /nfs/dbraw/zinc/49/95/46/1133499546.db2.gz LLZGKXGUDKIHIM-ZBEGNZNMSA-N 2 0 339.440 -0.602 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001367255660 1133516652 /nfs/dbraw/zinc/51/66/52/1133516652.db2.gz CNIHESWDPWYOCW-STQMWFEESA-N 2 0 338.456 -0.175 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001367392821 1133575802 /nfs/dbraw/zinc/57/58/02/1133575802.db2.gz CTVAGLGVAOITCP-LBPRGKRZSA-N 2 0 327.429 -0.650 20 0 EBADRP Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@H]2C[NH+]3CCC2CC3)cc1=O ZINC001367581965 1133650996 /nfs/dbraw/zinc/65/09/96/1133650996.db2.gz NBWNNKIQXBCGNO-HOTGVXAUSA-N 2 0 348.447 -0.706 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC2CC2)CC[N@@H+]1C ZINC001367600999 1133678150 /nfs/dbraw/zinc/67/81/50/1133678150.db2.gz MDCWKYBVUQIGDQ-AEGPPILISA-N 2 0 340.468 -0.690 20 0 EBADRP C[C@@H]([NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)C(=O)N1CCCCCC1 ZINC001367602819 1133680361 /nfs/dbraw/zinc/68/03/61/1133680361.db2.gz PULWWBJMHMDSEI-CABCVRRESA-N 2 0 342.484 -0.204 20 0 EBADRP CC1CC[NH+](CC(=O)NC[C@H](O)C[NH2+][C@H]2CCCN(C)C2=O)CC1 ZINC001367618230 1133701128 /nfs/dbraw/zinc/70/11/28/1133701128.db2.gz YCLOIAKDKOQPQK-CABCVRRESA-N 2 0 340.468 -0.594 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H](O)C[NH2+]Cc1cncs1 ZINC001367628512 1133716714 /nfs/dbraw/zinc/71/67/14/1133716714.db2.gz VBJVMLBIGRRXOD-QWHCGFSZSA-N 2 0 342.465 -0.322 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC1CCOCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001367706479 1133754230 /nfs/dbraw/zinc/75/42/30/1133754230.db2.gz NDBAOTYYHIWSLQ-ZIAGYGMSSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@@H](C[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001367749212 1133770108 /nfs/dbraw/zinc/77/01/08/1133770108.db2.gz KMJYNLZUNNXHMP-MELADBBJSA-N 2 0 348.451 -0.286 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001367777448 1133780923 /nfs/dbraw/zinc/78/09/23/1133780923.db2.gz UYEDZBKLMFEHLC-KBPBESRZSA-N 2 0 348.513 -0.298 20 0 EBADRP CN(C)C(=O)C[NH2+]C1(CNC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001368002241 1133889281 /nfs/dbraw/zinc/88/92/81/1133889281.db2.gz JXNWJNOSZPRVPF-UHFFFAOYSA-N 2 0 336.440 -0.615 20 0 EBADRP O=C(NCC1([NH2+]C[C@@H](O)Cn2cccn2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001368004179 1133890467 /nfs/dbraw/zinc/89/04/67/1133890467.db2.gz VZMHSUUVYSEKRE-HZPDHXFCSA-N 2 0 347.463 -0.176 20 0 EBADRP COCC[N@H+](CC(N)=O)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001368050800 1133913209 /nfs/dbraw/zinc/91/32/09/1133913209.db2.gz JBXKHVFZRNBHNR-INIZCTEOSA-N 2 0 342.484 -0.003 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC001368109753 1133942312 /nfs/dbraw/zinc/94/23/12/1133942312.db2.gz SQNGIOASCPPERQ-QWHCGFSZSA-N 2 0 339.440 -0.493 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001368163728 1133972962 /nfs/dbraw/zinc/97/29/62/1133972962.db2.gz AGEQVVOIKAREJL-IAQYHMDHSA-N 2 0 325.413 -0.896 20 0 EBADRP CN(C)C(=O)C[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CCOCC1 ZINC001368232485 1134001109 /nfs/dbraw/zinc/00/11/09/1134001109.db2.gz QHKAELNIIMORNG-UHFFFAOYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001368341683 1134155857 /nfs/dbraw/zinc/15/58/57/1134155857.db2.gz QYBIBARHKDDNIF-VXGBXAGGSA-N 2 0 339.440 -0.508 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1CC[C@H](C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001368350813 1134159352 /nfs/dbraw/zinc/15/93/52/1134159352.db2.gz VJRUVEIWPOSTNC-JOCQHMNTSA-N 2 0 341.456 -0.355 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC(=O)NC(N)=O)C1 ZINC001368351769 1134159462 /nfs/dbraw/zinc/15/94/62/1134159462.db2.gz ZZVAKOSLZLRYFR-CHWSQXEVSA-N 2 0 341.456 -0.260 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@@H]2C1 ZINC001368358871 1134163262 /nfs/dbraw/zinc/16/32/62/1134163262.db2.gz MEMYXTMNAYCQMD-UPJWGTAASA-N 2 0 339.440 -0.700 20 0 EBADRP CNC(=O)C[NH2+]C1CCN(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001368360805 1134164900 /nfs/dbraw/zinc/16/49/00/1134164900.db2.gz QMKDUQIGYUZIPB-AWEZNQCLSA-N 2 0 339.484 -0.756 20 0 EBADRP CC[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001368517971 1134270354 /nfs/dbraw/zinc/27/03/54/1134270354.db2.gz SCEFALONVDXECE-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001368518750 1134270884 /nfs/dbraw/zinc/27/08/84/1134270884.db2.gz DOPKIFPJDIJGEY-KFWWJZLASA-N 2 0 337.468 -0.162 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1 ZINC001368523282 1134273776 /nfs/dbraw/zinc/27/37/76/1134273776.db2.gz XLSRKVKNAIVBGF-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CC(=O)NC(=O)NC)CC1)[NH+](C)C ZINC001368530912 1134277404 /nfs/dbraw/zinc/27/74/04/1134277404.db2.gz HKGNSYNJEPOJQB-STQMWFEESA-N 2 0 341.456 -0.247 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC001368533828 1134279926 /nfs/dbraw/zinc/27/99/26/1134279926.db2.gz OHACNCGCGYWOGX-STQMWFEESA-N 2 0 341.456 -0.118 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001368578416 1134301199 /nfs/dbraw/zinc/30/11/99/1134301199.db2.gz GRYULTARFFHUAW-AVGNSLFASA-N 2 0 341.456 -0.343 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CC1(NC(=O)C[N@H+](C)C(C)C)CCOCC1 ZINC001368633519 1134346089 /nfs/dbraw/zinc/34/60/89/1134346089.db2.gz KVKGJVBODDHIQG-ZDUSSCGKSA-N 2 0 328.457 -0.284 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001368653599 1134357082 /nfs/dbraw/zinc/35/70/82/1134357082.db2.gz FGOLAUFRSCDDBB-QWHCGFSZSA-N 2 0 341.456 -0.391 20 0 EBADRP CNC(=O)C[NH2+][C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C ZINC001368655970 1134357867 /nfs/dbraw/zinc/35/78/67/1134357867.db2.gz WNDHWOBMQUTAMF-KGLIPLIRSA-N 2 0 340.468 -0.473 20 0 EBADRP C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001368889186 1134476289 /nfs/dbraw/zinc/47/62/89/1134476289.db2.gz NVUZMVUKJFAMNM-QWHCGFSZSA-N 2 0 328.457 -0.332 20 0 EBADRP C[C@@H]([NH2+]CCN(C)S(C)(=O)=O)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001368909575 1134481492 /nfs/dbraw/zinc/48/14/92/1134481492.db2.gz VZSWCBZJGZWBJL-OLZOCXBDSA-N 2 0 346.497 -0.544 20 0 EBADRP C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001368923417 1134485867 /nfs/dbraw/zinc/48/58/67/1134485867.db2.gz HPCSXOBCAJQUOL-VXGBXAGGSA-N 2 0 341.456 -0.404 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001369146674 1134591160 /nfs/dbraw/zinc/59/11/60/1134591160.db2.gz HERFLVHBSVNRSG-LUKYLMHMSA-N 2 0 349.479 -0.122 20 0 EBADRP C[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001369158609 1134599360 /nfs/dbraw/zinc/59/93/60/1134599360.db2.gz NAJGTBTYPRKAJA-KBPBESRZSA-N 2 0 338.452 -0.624 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CO[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001369158412 1134599660 /nfs/dbraw/zinc/59/96/60/1134599660.db2.gz JGKQQNGYNPBYIO-UONOGXRCSA-N 2 0 338.452 -0.447 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001369168010 1134603855 /nfs/dbraw/zinc/60/38/55/1134603855.db2.gz ILLJGQUFRFKKHC-DTZQCDIJSA-N 2 0 325.453 -0.180 20 0 EBADRP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1)C(=O)NC(N)=O ZINC001369168511 1134604043 /nfs/dbraw/zinc/60/40/43/1134604043.db2.gz KSFPKBFVFXZDRA-BJDJZHNGSA-N 2 0 325.413 -0.852 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001369277808 1134638196 /nfs/dbraw/zinc/63/81/96/1134638196.db2.gz PCCANELFOWXVTM-NEPJUHHUSA-N 2 0 329.445 -0.391 20 0 EBADRP CCN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001369321477 1134661992 /nfs/dbraw/zinc/66/19/92/1134661992.db2.gz DUWUCZIRXDDVEG-OCCSQVGLSA-N 2 0 326.441 -0.842 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001369406771 1134763965 /nfs/dbraw/zinc/76/39/65/1134763965.db2.gz RCBOPFRVOAXXDA-QWHCGFSZSA-N 2 0 341.456 -0.247 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C)C(=O)NC(N)=O ZINC001369443781 1134783388 /nfs/dbraw/zinc/78/33/88/1134783388.db2.gz RGJJMPDVALRQJP-VXGBXAGGSA-N 2 0 341.456 -0.262 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CC(=O)N1CCCC1)C(=O)C[N@H+](C)C1CCC1 ZINC001369471985 1134826008 /nfs/dbraw/zinc/82/60/08/1134826008.db2.gz LBYCUYZZZUUMEV-HNNXBMFYSA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)CC[NH+]1CCCCC1)C(=O)N(C)C ZINC001369490456 1134863718 /nfs/dbraw/zinc/86/37/18/1134863718.db2.gz PLCWOLFHOUMVRH-GJZGRUSLSA-N 2 0 342.484 -0.252 20 0 EBADRP CN(C[C@@H](O)C[N@H+](C)[C@@H]1CCNC1=O)C(=O)CC1CC[NH+](C)CC1 ZINC001369524013 1134921619 /nfs/dbraw/zinc/92/16/19/1134921619.db2.gz SWIWTQIMSLTHNN-LSDHHAIUSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[C@@H](C(=O)NCCN1CC[NH+](CCn2cccn2)CC1)[NH+](C)C ZINC001369932699 1135102594 /nfs/dbraw/zinc/10/25/94/1135102594.db2.gz PHQKDLNWPOTGEG-INIZCTEOSA-N 2 0 336.484 -0.043 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001370175106 1135235880 /nfs/dbraw/zinc/23/58/80/1135235880.db2.gz KDXDUGNJBXKZRY-CHWSQXEVSA-N 2 0 339.440 -0.462 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001370280008 1135280766 /nfs/dbraw/zinc/28/07/66/1135280766.db2.gz LGQSVVLNQIKPLQ-LBPRGKRZSA-N 2 0 325.413 -0.978 20 0 EBADRP CCN(C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1)C1CC1 ZINC001370354124 1135315550 /nfs/dbraw/zinc/31/55/50/1135315550.db2.gz BBXIINIXTJTROU-ZFWWWQNUSA-N 2 0 338.452 -0.482 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001370462466 1135361602 /nfs/dbraw/zinc/36/16/02/1135361602.db2.gz YUTCBMOWUMMGFP-AVGNSLFASA-N 2 0 339.440 -0.448 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1)C(=O)NC(N)=O ZINC001370499031 1135378213 /nfs/dbraw/zinc/37/82/13/1135378213.db2.gz JIWKCWNBXXMPKC-IJLUTSLNSA-N 2 0 339.440 -0.319 20 0 EBADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1)[NH+](C)C ZINC001370650798 1135453187 /nfs/dbraw/zinc/45/31/87/1135453187.db2.gz PWLWBLTWVOKWRY-APIJFGDWSA-N 2 0 340.468 -0.284 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001370670198 1135475851 /nfs/dbraw/zinc/47/58/51/1135475851.db2.gz VSUOTXIDUUWYFH-MCIONIFRSA-N 2 0 331.482 0.000 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001370713897 1135536354 /nfs/dbraw/zinc/53/63/54/1135536354.db2.gz PKKDCJUHJKCINQ-NTZNESFSSA-N 2 0 327.429 -0.735 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001371198767 1135862507 /nfs/dbraw/zinc/86/25/07/1135862507.db2.gz BCUQRJCQGRSMOQ-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001371460855 1135921611 /nfs/dbraw/zinc/92/16/11/1135921611.db2.gz UZEANPPQBDJDFC-MGPQQGTHSA-N 2 0 326.441 -0.890 20 0 EBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1)C(=O)NC(N)=O ZINC001371510222 1135940568 /nfs/dbraw/zinc/94/05/68/1135940568.db2.gz LBNHXJUDMUGXOP-QWRGUYRKSA-N 2 0 325.413 -0.755 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001371531478 1135955560 /nfs/dbraw/zinc/95/55/60/1135955560.db2.gz UPJDFYOYEIQWCN-TUVASFSCSA-N 2 0 340.468 -0.645 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001371539522 1135961571 /nfs/dbraw/zinc/96/15/71/1135961571.db2.gz ZWPFSQCSPUDQNG-ILXRZTDVSA-N 2 0 342.484 -0.254 20 0 EBADRP CC(C)NC(=O)C[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001371539708 1135962026 /nfs/dbraw/zinc/96/20/26/1135962026.db2.gz XAQYZBGGRYMDSG-AWEZNQCLSA-N 2 0 340.468 -0.188 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1O ZINC001371844584 1136033962 /nfs/dbraw/zinc/03/39/62/1136033962.db2.gz DQAWGYQBWMEFJA-HUUCEWRRSA-N 2 0 342.484 -0.254 20 0 EBADRP C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1nnc2n1CCOC2 ZINC001371871102 1136045463 /nfs/dbraw/zinc/04/54/63/1136045463.db2.gz ZHJJHOBTOJEOGS-ZDUSSCGKSA-N 2 0 348.451 -0.112 20 0 EBADRP CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C1)[NH+](C)C ZINC001372657879 1136260744 /nfs/dbraw/zinc/26/07/44/1136260744.db2.gz DYGBARHXYTWRRE-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001372674119 1136266181 /nfs/dbraw/zinc/26/61/81/1136266181.db2.gz YQXOMBIPNZOKSX-NWDGAFQWSA-N 2 0 327.429 -0.650 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001372937610 1136331696 /nfs/dbraw/zinc/33/16/96/1136331696.db2.gz IWRSSPXQRZXMSW-NWDGAFQWSA-N 2 0 327.429 -0.508 20 0 EBADRP CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001373382891 1136441280 /nfs/dbraw/zinc/44/12/80/1136441280.db2.gz QECYBQVPRJJKBC-CQSZACIVSA-N 2 0 348.513 -0.200 20 0 EBADRP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)N1CCOCC1 ZINC001373788150 1136560780 /nfs/dbraw/zinc/56/07/80/1136560780.db2.gz IFIHSONAWLZQMS-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CC[C@@H](C(=O)NCc1ccc(C[NH2+]CC(=O)NC(N)=O)cc1)[NH+](C)C ZINC001373934795 1136589502 /nfs/dbraw/zinc/58/95/02/1136589502.db2.gz VVFXWHBNOYOMTG-AWEZNQCLSA-N 2 0 349.435 -0.073 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001373990294 1136600200 /nfs/dbraw/zinc/60/02/00/1136600200.db2.gz RYPHZKCUCBJJIX-NEPJUHHUSA-N 2 0 327.429 -0.732 20 0 EBADRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C[NH2+]CC(=O)NC(N)=O ZINC001374044572 1136612870 /nfs/dbraw/zinc/61/28/70/1136612870.db2.gz BZCZNFLWDVBBAI-NSHDSACASA-N 2 0 327.429 -0.602 20 0 EBADRP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001374253130 1136658964 /nfs/dbraw/zinc/65/89/64/1136658964.db2.gz PKCUZRAPVBOCDC-DGCLKSJQSA-N 2 0 341.456 -0.249 20 0 EBADRP CC(C)C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001374369071 1136679154 /nfs/dbraw/zinc/67/91/54/1136679154.db2.gz UIILBACJJDFPFY-QWHCGFSZSA-N 2 0 338.456 -0.319 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001374385301 1136680970 /nfs/dbraw/zinc/68/09/70/1136680970.db2.gz OOELZXZZSKZURJ-NWDGAFQWSA-N 2 0 327.429 -0.652 20 0 EBADRP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001374433881 1136687222 /nfs/dbraw/zinc/68/72/22/1136687222.db2.gz LIHUJXDTWCDOBW-STQMWFEESA-N 2 0 338.456 -0.319 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCN2CCNC2=O)C1 ZINC001374563934 1136720721 /nfs/dbraw/zinc/72/07/21/1136720721.db2.gz XLEMVPFSVUREAN-GJZGRUSLSA-N 2 0 337.468 -0.114 20 0 EBADRP NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001374606765 1136742381 /nfs/dbraw/zinc/74/23/81/1136742381.db2.gz TVPMPWNBULCYPE-GXTWGEPZSA-N 2 0 326.441 -0.807 20 0 EBADRP NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001374606768 1136742455 /nfs/dbraw/zinc/74/24/55/1136742455.db2.gz TVPMPWNBULCYPE-TZMCWYRMSA-N 2 0 326.441 -0.807 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C ZINC001374617790 1136752214 /nfs/dbraw/zinc/75/22/14/1136752214.db2.gz WONPAWSONIHAGG-KGLIPLIRSA-N 2 0 342.484 -0.158 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@@H](O)C[NH2+]CC(=O)Nc2ccon2)CCC1 ZINC001374618747 1136753117 /nfs/dbraw/zinc/75/31/17/1136753117.db2.gz WWPGMFPAAZJIHI-NSHDSACASA-N 2 0 339.396 -0.836 20 0 EBADRP COC[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001374624251 1136756524 /nfs/dbraw/zinc/75/65/24/1136756524.db2.gz IBNKPONKZWFNRM-TZMCWYRMSA-N 2 0 333.392 -0.018 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H](O)C[NH2+]C[C@H]1COc2ccccc2O1 ZINC001374640200 1136768564 /nfs/dbraw/zinc/76/85/64/1136768564.db2.gz GROXZYLBLHOOAJ-KBPBESRZSA-N 2 0 337.420 -0.155 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001374654245 1136777989 /nfs/dbraw/zinc/77/79/89/1136777989.db2.gz WZISULMWTYRIKL-LSDHHAIUSA-N 2 0 342.484 -0.158 20 0 EBADRP Cn1ccc(C[NH2+]C[C@H](O)CNC(=O)C[N@H+](C)CC(C)(C)C)n1 ZINC001374660063 1136782772 /nfs/dbraw/zinc/78/27/72/1136782772.db2.gz WQKAJLFAUGPUSE-AWEZNQCLSA-N 2 0 325.457 -0.035 20 0 EBADRP Cc1cc(C[NH2+]C[C@H](O)CNC(=O)[C@H](C(C)C)[NH+](C)C)nn1C ZINC001374675619 1136793950 /nfs/dbraw/zinc/79/39/50/1136793950.db2.gz UADLMBHMJJQSGI-GJZGRUSLSA-N 2 0 325.457 -0.119 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001374681661 1136798215 /nfs/dbraw/zinc/79/82/15/1136798215.db2.gz DVLYLJSXRNWVIO-CABCVRRESA-N 2 0 340.468 -0.453 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001374780851 1136831066 /nfs/dbraw/zinc/83/10/66/1136831066.db2.gz SCJWUPSUHCSNTC-NEPJUHHUSA-N 2 0 339.440 -0.447 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC[C@H]1CCOC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001374800269 1136836180 /nfs/dbraw/zinc/83/61/80/1136836180.db2.gz WKMFSIVEGWKHLM-MGPQQGTHSA-N 2 0 326.441 -0.672 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC(CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001374811278 1136839032 /nfs/dbraw/zinc/83/90/32/1136839032.db2.gz HQQKEXHUWSMTDE-CQSZACIVSA-N 2 0 326.441 -0.768 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001374906550 1136870743 /nfs/dbraw/zinc/87/07/43/1136870743.db2.gz PMJQSPJQHPQHMB-LBPRGKRZSA-N 2 0 339.440 -0.588 20 0 EBADRP C[C@H](C[N@H+](C)CCN1CCNC1=O)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001375053658 1136902148 /nfs/dbraw/zinc/90/21/48/1136902148.db2.gz JWVVCWNOKAWJFK-UKRRQHHQSA-N 2 0 337.468 -0.210 20 0 EBADRP C[C@@H](C[N@H+](C)CCN1CCNC1=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001375054527 1136902668 /nfs/dbraw/zinc/90/26/68/1136902668.db2.gz KZXNQNAMPDNVPB-ZDUSSCGKSA-N 2 0 325.457 -0.068 20 0 EBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000337725839 282141948 /nfs/dbraw/zinc/14/19/48/282141948.db2.gz TWFXKEBJHHBZHV-BFYDXBDKSA-N 2 0 342.484 -0.024 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]([NH+](C)C)C3)C[C@H]2[NH3+])cn1 ZINC000331864033 282182483 /nfs/dbraw/zinc/18/24/83/282182483.db2.gz ADJADUDFYXRYOO-QLFBSQMISA-N 2 0 348.451 -0.774 20 0 EBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000643545231 375891429 /nfs/dbraw/zinc/89/14/29/375891429.db2.gz PQWKKBQNMMKVIH-XGUBFFRZSA-N 2 0 338.452 -0.354 20 0 EBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000643553459 375898865 /nfs/dbraw/zinc/89/88/65/375898865.db2.gz BSXPRNNYTMWALJ-BFHYXJOUSA-N 2 0 326.441 -0.450 20 0 EBADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)C2)C1 ZINC000643593602 375922736 /nfs/dbraw/zinc/92/27/36/375922736.db2.gz XUKWALGDHZRFLQ-MPGHIAIKSA-N 2 0 334.464 -0.001 20 0 EBADRP C[C@@H](NC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)C(C)(C)C[NH+](C)C ZINC000642762394 376085795 /nfs/dbraw/zinc/08/57/95/376085795.db2.gz OJVFWKBZTNYYNR-YNEHKIRRSA-N 2 0 328.457 -0.347 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000642773225 376094139 /nfs/dbraw/zinc/09/41/39/376094139.db2.gz BUXJCRYHMGMGPD-MGPQQGTHSA-N 2 0 326.441 -0.448 20 0 EBADRP C[C@H]([NH3+])CNC(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000642782928 376121072 /nfs/dbraw/zinc/12/10/72/376121072.db2.gz GWHQDLCQQVLADG-ZDUSSCGKSA-N 2 0 336.436 -0.251 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@H]2CN(C)Cc3ccccc32)CCO1 ZINC000642789124 376153817 /nfs/dbraw/zinc/15/38/17/376153817.db2.gz QYGQDMIXMQVBLF-VBNZEHGJSA-N 2 0 346.431 -0.136 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642792260 376180507 /nfs/dbraw/zinc/18/05/07/376180507.db2.gz HKSTTWRSYNHBJI-KBPBESRZSA-N 2 0 326.441 -0.719 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000584172873 376218757 /nfs/dbraw/zinc/21/87/57/376218757.db2.gz IYNKNGUOUYPVDA-QLFBSQMISA-N 2 0 341.500 -0.382 20 0 EBADRP Cc1cncc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000558434767 376265340 /nfs/dbraw/zinc/26/53/40/376265340.db2.gz RZADOUJJHUXFGE-UHFFFAOYSA-N 2 0 335.452 -0.042 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000559925743 376613942 /nfs/dbraw/zinc/61/39/42/376613942.db2.gz SEBLYPRTCYIYLD-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642905495 376686667 /nfs/dbraw/zinc/68/66/67/376686667.db2.gz NSAPXLZNCPAOCL-AWEZNQCLSA-N 3 0 327.473 -0.804 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)[C@]34C[C@H]3CC[NH2+]4)CC2)C1 ZINC000582125145 376702313 /nfs/dbraw/zinc/70/23/13/376702313.db2.gz IBMKZVDCLMBXLZ-NUJGCVRESA-N 2 0 336.480 -0.008 20 0 EBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)NC[C@H](C)[NH3+])CC2)CC1 ZINC000642911160 376707741 /nfs/dbraw/zinc/70/77/41/376707741.db2.gz XFLXHKOEQVCNQP-AWEZNQCLSA-N 2 0 339.484 -0.533 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000642924569 376766696 /nfs/dbraw/zinc/76/66/96/376766696.db2.gz DDNOAKVNDNQBFR-OKILXGFUSA-N 2 0 337.468 -0.909 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000561560054 376854983 /nfs/dbraw/zinc/85/49/83/376854983.db2.gz JCCFXBDVERWXST-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP CS(=O)(=O)N[C@@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000635002552 376863521 /nfs/dbraw/zinc/86/35/21/376863521.db2.gz UKQNHBFWYGVDFS-CHWSQXEVSA-N 2 0 332.470 -0.803 20 0 EBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000642946651 377018999 /nfs/dbraw/zinc/01/89/99/377018999.db2.gz AVUGIXVVSAUNCH-GJZGRUSLSA-N 2 0 339.484 -0.676 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000618306850 377052736 /nfs/dbraw/zinc/05/27/36/377052736.db2.gz KZKZCLSQWKPCPH-CQSZACIVSA-N 2 0 328.457 -0.567 20 0 EBADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC1=O ZINC000635934888 377141621 /nfs/dbraw/zinc/14/16/21/377141621.db2.gz WABPZHSZJKPTGP-AWEZNQCLSA-N 2 0 340.468 -0.377 20 0 EBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)c1 ZINC000569723060 377156943 /nfs/dbraw/zinc/15/69/43/377156943.db2.gz IAOWODLHWAUYLD-YPMHNXCESA-N 2 0 342.421 -0.632 20 0 EBADRP Cn1ccnc1[C@H]1[C@H](CNC(=O)NCC[NH+]2CCC2)CC(=O)N1C ZINC000569725245 377158045 /nfs/dbraw/zinc/15/80/45/377158045.db2.gz SJYQZTQHWJCSLT-GXTWGEPZSA-N 2 0 334.424 -0.056 20 0 EBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCN(CCC(=O)OC)C[C@@H]1C ZINC000570164334 377215167 /nfs/dbraw/zinc/21/51/67/377215167.db2.gz PPAZVRMRQLYXOW-NWDGAFQWSA-N 2 0 329.397 -0.637 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000570044762 377202230 /nfs/dbraw/zinc/20/22/30/377202230.db2.gz ZDTAVFHRTVDMSO-MJBXVCDLSA-N 2 0 328.457 -0.202 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000565251011 377279872 /nfs/dbraw/zinc/27/98/72/377279872.db2.gz VWDLQWJWFYIGKB-ZDUSSCGKSA-N 2 0 325.457 -0.020 20 0 EBADRP CN(Cc1cccnc1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000580286052 377447600 /nfs/dbraw/zinc/44/76/00/377447600.db2.gz HKQJZYGEWDFVPX-UHFFFAOYSA-N 2 0 335.452 -0.008 20 0 EBADRP C[NH+]1CCC(N2CCC([NH2+]C[C@H](O)CN3CCOCC3)CC2)CC1 ZINC000562989716 377417583 /nfs/dbraw/zinc/41/75/83/377417583.db2.gz QQNDSXVBEAIKEQ-SFHVURJKSA-N 2 0 340.512 -0.172 20 0 EBADRP C[NH+]1CCN(C(C)(C)CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000636523487 377552729 /nfs/dbraw/zinc/55/27/29/377552729.db2.gz KNZHUSFXYISQFL-AWEZNQCLSA-N 2 0 327.473 -0.622 20 0 EBADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000364251174 377572426 /nfs/dbraw/zinc/57/24/26/377572426.db2.gz AGPHYRONLOVZJG-UONOGXRCSA-N 2 0 327.425 -0.245 20 0 EBADRP COC(=O)CCN1CC[C@H]([N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)C1=O ZINC000595895602 378032533 /nfs/dbraw/zinc/03/25/33/378032533.db2.gz QANBCJUFRVKVDA-KBPBESRZSA-N 2 0 339.436 -0.162 20 0 EBADRP COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000595961791 378038988 /nfs/dbraw/zinc/03/89/88/378038988.db2.gz SZLZCDDGKVMBRS-GJZGRUSLSA-N 2 0 335.404 -0.240 20 0 EBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)Cc3cccc4c3CC[NH2+]C4)CCN2C1=O ZINC000602525961 378361621 /nfs/dbraw/zinc/36/16/21/378361621.db2.gz NJGKUCOENJCFGA-ZBFHGGJFSA-N 2 0 328.416 -0.355 20 0 EBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3C[C@@H]([NH3+])C[C@H]3C)C2)CC1 ZINC000601580935 378311922 /nfs/dbraw/zinc/31/19/22/378311922.db2.gz BVKWHLGLXVWIMX-QLFBSQMISA-N 2 0 337.468 -0.827 20 0 EBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3C[C@H]([NH3+])C[C@@H]3C)C2)CC1 ZINC000601580943 378312909 /nfs/dbraw/zinc/31/29/09/378312909.db2.gz BVKWHLGLXVWIMX-RRFJBIMHSA-N 2 0 337.468 -0.827 20 0 EBADRP CC1(O)CCN(c2cc(N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)ncn2)CC1 ZINC000601983191 378329511 /nfs/dbraw/zinc/32/95/11/378329511.db2.gz LMFGJGUQRLPGDU-OLZOCXBDSA-N 2 0 346.435 -0.424 20 0 EBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H](O)[C@H]3CCCO3)C2)CC1 ZINC000636790784 378395963 /nfs/dbraw/zinc/39/59/63/378395963.db2.gz BMQXURSRIIZQNX-NUEKZKHPSA-N 2 0 340.468 -0.006 20 0 EBADRP C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604632559 378466147 /nfs/dbraw/zinc/46/61/47/378466147.db2.gz RJVVDCGHWDBXHF-INIZCTEOSA-N 2 0 339.484 -0.214 20 0 EBADRP CCNC(=O)[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000604162097 378437182 /nfs/dbraw/zinc/43/71/82/378437182.db2.gz YTVDDXAVTQXAKA-STQMWFEESA-N 2 0 325.457 -0.021 20 0 EBADRP CC[C@@H](O)CN1CCN(C(=O)[C@@H](Cc2c[nH]cn2)NC(C)=O)CC1 ZINC000339274790 378876662 /nfs/dbraw/zinc/87/66/62/378876662.db2.gz LLQVNILIKHGVHH-HUUCEWRRSA-N 2 0 337.424 -0.628 20 0 EBADRP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[NH2+]CCO1 ZINC000366322896 378878809 /nfs/dbraw/zinc/87/88/09/378878809.db2.gz KPUYNFFSCOCWQW-HNNXBMFYSA-N 2 0 348.451 -0.517 20 0 EBADRP COC[C@]1(CNC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)CCC[NH2+]1 ZINC000563601546 379051926 /nfs/dbraw/zinc/05/19/26/379051926.db2.gz XMFRPQHDGRAILH-IIAWOOMASA-N 2 0 328.457 -0.149 20 0 EBADRP O=C([C@@H]1CCC[N@H+](C[C@H]2CCCS(=O)(=O)C2)C1)N1CC[NH2+]CC1 ZINC000571087914 379073793 /nfs/dbraw/zinc/07/37/93/379073793.db2.gz KTRMLKDEFAUIQI-HUUCEWRRSA-N 2 0 343.493 -0.045 20 0 EBADRP COCC[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000073075534 379096477 /nfs/dbraw/zinc/09/64/77/379096477.db2.gz IBFZGTZZRAXPHH-OAHLLOKOSA-N 2 0 340.468 -0.423 20 0 EBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000571325240 379132978 /nfs/dbraw/zinc/13/29/78/379132978.db2.gz BULUWGIKDJZVHR-ZDUSSCGKSA-N 2 0 327.425 -0.305 20 0 EBADRP C[NH+](C)CCNC(=O)C(C)(C)OC(C)(C)C(=O)NCC[NH+](C)C ZINC000454169219 379113391 /nfs/dbraw/zinc/11/33/91/379113391.db2.gz ARZYGUGMPJVEHM-UHFFFAOYSA-N 2 0 330.473 -0.084 20 0 EBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000629816773 379157897 /nfs/dbraw/zinc/15/78/97/379157897.db2.gz JCVLOPZANVKBAK-AWEZNQCLSA-N 2 0 338.452 -0.351 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000629793338 379138265 /nfs/dbraw/zinc/13/82/65/379138265.db2.gz FXEGCQVXCWDZNA-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000629793015 379138524 /nfs/dbraw/zinc/13/85/24/379138524.db2.gz BRYDMUHNKHWEAC-CQSZACIVSA-N 2 0 326.441 -0.493 20 0 EBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000629798973 379142644 /nfs/dbraw/zinc/14/26/44/379142644.db2.gz CQPKKSWAKBLUBP-AWEZNQCLSA-N 2 0 328.457 -0.390 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000629798894 379142661 /nfs/dbraw/zinc/14/26/61/379142661.db2.gz MKUHHTRNMCXRCK-ZIAGYGMSSA-N 2 0 328.457 -0.521 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000629802551 379146145 /nfs/dbraw/zinc/14/61/45/379146145.db2.gz JDRRRCZWUIJDSZ-AWEZNQCLSA-N 2 0 328.457 -0.378 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000629802456 379146273 /nfs/dbraw/zinc/14/62/73/379146273.db2.gz IDDKNFRMAOUQEV-CQSZACIVSA-N 2 0 328.457 -0.330 20 0 EBADRP O=C(NCCCN1CCOCC1)NC[C@H]1CCCC[N@H+]1CCO ZINC000457388732 379184180 /nfs/dbraw/zinc/18/41/80/379184180.db2.gz AEXWNKUWZJEREX-OAHLLOKOSA-N 2 0 328.457 -0.145 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000627300706 379211015 /nfs/dbraw/zinc/21/10/15/379211015.db2.gz JYLRFIXIZYRUPI-SOUVJXGZSA-N 2 0 340.468 -0.284 20 0 EBADRP C[NH+]1CCN(c2cccc(C(=O)NCC[N@@H+]3CC[C@H](O)C3)n2)CC1 ZINC000629915073 379218353 /nfs/dbraw/zinc/21/83/53/379218353.db2.gz MUVXDSXXKUIPIE-AWEZNQCLSA-N 2 0 333.436 -0.370 20 0 EBADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627323938 379329941 /nfs/dbraw/zinc/32/99/41/379329941.db2.gz KZHXLUUGNYKXNT-CQSZACIVSA-N 2 0 326.441 -0.672 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627329008 379334374 /nfs/dbraw/zinc/33/43/74/379334374.db2.gz XFINJRZMIFUYBO-OAHLLOKOSA-N 2 0 342.484 -0.096 20 0 EBADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC1=O ZINC000629994289 379335709 /nfs/dbraw/zinc/33/57/09/379335709.db2.gz VWWOPDSVXNWVJU-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)[NH+]1CCC(C)CC1 ZINC000627331862 379341485 /nfs/dbraw/zinc/34/14/85/379341485.db2.gz KCDNROKKXCQHER-AWEZNQCLSA-N 2 0 340.468 -0.153 20 0 EBADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627312322 379304609 /nfs/dbraw/zinc/30/46/09/379304609.db2.gz WICZWNNGFDQPFB-KFWWJZLASA-N 2 0 342.484 -0.049 20 0 EBADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627312415 379305194 /nfs/dbraw/zinc/30/51/94/379305194.db2.gz YEQFWFFXYUKMGG-KBPBESRZSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+]1CCN(c2ccc(CNC(=O)C[C@@H]3C[NH2+]CCO3)cn2)CC1 ZINC000269279958 379356320 /nfs/dbraw/zinc/35/63/20/379356320.db2.gz DRPHYWSNIRDLPO-OAHLLOKOSA-N 2 0 333.436 -0.172 20 0 EBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[NH2+]CCO1 ZINC000269313265 379361609 /nfs/dbraw/zinc/36/16/09/379361609.db2.gz XUUGJVJFFAUQTO-INIZCTEOSA-N 3 0 333.436 -0.302 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621839675 379367839 /nfs/dbraw/zinc/36/78/39/379367839.db2.gz WWTNOWBOPCKWOP-CXAGYDPISA-N 2 0 338.452 -0.447 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627352719 379420728 /nfs/dbraw/zinc/42/07/28/379420728.db2.gz GVWHFGIFYJUFGW-IYBDPMFKSA-N 2 0 326.441 -0.861 20 0 EBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000154820911 379485165 /nfs/dbraw/zinc/48/51/65/379485165.db2.gz MTXQFUBLPHDBFD-MRXNPFEDSA-N 3 0 342.532 -0.243 20 0 EBADRP Nc1nc(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)nc(N)[nH+]1 ZINC000624157735 379518329 /nfs/dbraw/zinc/51/83/29/379518329.db2.gz YTSUJFDRXHZMNA-ZDUSSCGKSA-N 2 0 329.408 -0.178 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000627425333 379591994 /nfs/dbraw/zinc/59/19/94/379591994.db2.gz MOFDIQNDKRNXRE-KGLIPLIRSA-N 2 0 326.441 -0.447 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627440565 379598191 /nfs/dbraw/zinc/59/81/91/379598191.db2.gz NZEBPHODVJDILZ-AWEZNQCLSA-N 3 0 339.484 -0.661 20 0 EBADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627364619 379569275 /nfs/dbraw/zinc/56/92/75/379569275.db2.gz SVAPJFHYWNNXCE-CABCVRRESA-N 2 0 340.468 -0.281 20 0 EBADRP CC(C)[NH+](CCCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)C(C)C ZINC000627381174 379574639 /nfs/dbraw/zinc/57/46/39/379574639.db2.gz KLWHRDVGNQAMQA-AWEZNQCLSA-N 2 0 328.457 -0.284 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000627384614 379576724 /nfs/dbraw/zinc/57/67/24/379576724.db2.gz KJGXNIDFMGRSMC-CQSZACIVSA-N 2 0 328.457 -0.473 20 0 EBADRP CN1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@@H](Cc2ccccc2)C1 ZINC000627507440 379647969 /nfs/dbraw/zinc/64/79/69/379647969.db2.gz SQDZGXILKJFMHJ-CVEARBPZSA-N 2 0 330.432 -0.150 20 0 EBADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627454050 379605790 /nfs/dbraw/zinc/60/57/90/379605790.db2.gz FTOWOIJUXAEHQL-CQSZACIVSA-N 2 0 340.468 -0.295 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000627462823 379612949 /nfs/dbraw/zinc/61/29/49/379612949.db2.gz FCTFBCDITKUZQA-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000627464732 379615351 /nfs/dbraw/zinc/61/53/51/379615351.db2.gz LRECLCPKZBJXKI-AWEZNQCLSA-N 2 0 326.441 -0.575 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[NH2+]1 ZINC000627479168 379627021 /nfs/dbraw/zinc/62/70/21/379627021.db2.gz XIUYMEPRHVYKNX-KBXIAJHMSA-N 2 0 340.468 -0.141 20 0 EBADRP CN(C1CC[NH+](C)CC1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631636571 379745069 /nfs/dbraw/zinc/74/50/69/379745069.db2.gz JANCFIFOGJBGNU-UHFFFAOYSA-N 2 0 332.514 -0.020 20 0 EBADRP C[NH+](C)[C@@H]1CCCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000631936636 379753553 /nfs/dbraw/zinc/75/35/53/379753553.db2.gz HALOWYVKAKTBLG-OAHLLOKOSA-N 2 0 332.514 -0.020 20 0 EBADRP CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000631825633 379762139 /nfs/dbraw/zinc/76/21/39/379762139.db2.gz ORZYDBASZDPOOJ-CYBMUJFWSA-N 2 0 346.497 -0.413 20 0 EBADRP O=C(NC[C@H]1COCC[NH2+]1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000626970472 379768304 /nfs/dbraw/zinc/76/83/04/379768304.db2.gz NUIRAGICCVZNTI-AWEZNQCLSA-N 2 0 326.441 -0.081 20 0 EBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000631909350 379771099 /nfs/dbraw/zinc/77/10/99/379771099.db2.gz BOQXLHDFBIKJRE-CQSZACIVSA-N 2 0 326.422 -0.478 20 0 EBADRP COc1ccc([C@@H](CNc2nc(N)[nH+]c(N)n2)[NH+](C)C)cc1OC ZINC000623797835 379772836 /nfs/dbraw/zinc/77/28/36/379772836.db2.gz CZVKYHPPIYVDDZ-SNVBAGLBSA-N 2 0 333.396 -0.149 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000626986616 379773643 /nfs/dbraw/zinc/77/36/43/379773643.db2.gz KWGDVLSPLLRTMI-HNNXBMFYSA-N 2 0 329.489 -0.253 20 0 EBADRP CC[NH+]1CCN(C[C@H](C)CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631922695 379779853 /nfs/dbraw/zinc/77/98/53/379779853.db2.gz CKOMZZHUIQCUJK-CABCVRRESA-N 2 0 348.513 -0.832 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000631935417 379785669 /nfs/dbraw/zinc/78/56/69/379785669.db2.gz VOFHRJMGUODMMU-OAHLLOKOSA-N 2 0 332.514 -0.067 20 0 EBADRP C[NH+](C)CCCS(=O)(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631944045 379787779 /nfs/dbraw/zinc/78/77/79/379787779.db2.gz MFKXIBQEXZNZPV-CYBMUJFWSA-N 2 0 330.458 -0.345 20 0 EBADRP C[C@@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@@H]1[NH+](C)C ZINC000632092375 379814792 /nfs/dbraw/zinc/81/47/92/379814792.db2.gz BSVGKIHITHBFOD-CABCVRRESA-N 2 0 332.514 -0.164 20 0 EBADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC1([NH3+])CCOCC1 ZINC000627150392 379816581 /nfs/dbraw/zinc/81/65/81/379816581.db2.gz IODGJZBDUFVGEQ-ZDUSSCGKSA-N 2 0 328.457 -0.019 20 0 EBADRP [NH3+]C1(CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CCOCC1 ZINC000627152319 379816970 /nfs/dbraw/zinc/81/69/70/379816970.db2.gz VGLGTBBYGAAYDZ-CQSZACIVSA-N 2 0 326.441 -0.142 20 0 EBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633082685 379931120 /nfs/dbraw/zinc/93/11/20/379931120.db2.gz REOSMPCXTLVERK-ZFWWWQNUSA-N 2 0 337.468 -0.957 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000633119080 379946065 /nfs/dbraw/zinc/94/60/65/379946065.db2.gz OBZNKVMCALVDLN-HZSPNIEDSA-N 2 0 326.441 -0.496 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000633139081 379947441 /nfs/dbraw/zinc/94/74/41/379947441.db2.gz GYPAVGRNOCNDMO-HIFRSBDPSA-N 2 0 338.452 -0.495 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000633147565 379949553 /nfs/dbraw/zinc/94/95/53/379949553.db2.gz SLVWLZZKZVHBLA-KGLIPLIRSA-N 2 0 327.473 -0.724 20 0 EBADRP O=C(CNC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000634249812 379990384 /nfs/dbraw/zinc/99/03/84/379990384.db2.gz NQWZPAJKGNYGOB-GJZGRUSLSA-N 2 0 337.468 -0.161 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@@](C)(O)C[NH+](C)C)CC1 ZINC000128587921 380001865 /nfs/dbraw/zinc/00/18/65/380001865.db2.gz ZFACNALUYCHHID-DOTOQJQBSA-N 2 0 343.516 -0.128 20 0 EBADRP C[C@](O)(CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)CN1CCOCC1 ZINC000073717231 380089923 /nfs/dbraw/zinc/08/99/23/380089923.db2.gz YYTYQRACUGJVMB-YOEHRIQHSA-N 2 0 340.468 -0.147 20 0 EBADRP CC[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC[N@@H+]1CCOC ZINC000354674059 380077109 /nfs/dbraw/zinc/07/71/09/380077109.db2.gz LYFHDFTZDMJIJN-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC([NH3+])CC3)CC2)c1 ZINC000630343814 380043085 /nfs/dbraw/zinc/04/30/85/380043085.db2.gz SACOGDZMWYOMPM-UHFFFAOYSA-N 2 0 347.419 -0.312 20 0 EBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000354757684 380093437 /nfs/dbraw/zinc/09/34/37/380093437.db2.gz SLCRJEBOJAOHKX-LSDHHAIUSA-N 2 0 338.452 -0.575 20 0 EBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000354757676 380093824 /nfs/dbraw/zinc/09/38/24/380093824.db2.gz SLCRJEBOJAOHKX-CABCVRRESA-N 2 0 338.452 -0.575 20 0 EBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000545884390 380100770 /nfs/dbraw/zinc/10/07/70/380100770.db2.gz MTYBEDQVUYZWCC-RHSMWYFYSA-N 2 0 340.468 -0.147 20 0 EBADRP C[NH+](C)[C@H]1CCN(CCn2cc(CCN3CCC([NH3+])CC3)nn2)C1 ZINC000630587116 380110359 /nfs/dbraw/zinc/11/03/59/380110359.db2.gz QCNIGLSUDIDCQC-KRWDZBQOSA-N 2 0 335.500 -0.120 20 0 EBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000638114303 380162214 /nfs/dbraw/zinc/16/22/14/380162214.db2.gz YMJSMFQLIQMFCW-WMLDXEAASA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000355280869 380177833 /nfs/dbraw/zinc/17/78/33/380177833.db2.gz PZYOMHGBRRHSAH-CQSZACIVSA-N 2 0 342.484 -0.252 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000552968167 380313044 /nfs/dbraw/zinc/31/30/44/380313044.db2.gz SCOKBQBPQUPTFY-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP C[NH+](C)CCNC(=O)CC1(C(=O)NCC[NH+](C)C)CCOCC1 ZINC000362362691 380396367 /nfs/dbraw/zinc/39/63/67/380396367.db2.gz WHXILHNMQMMPDZ-UHFFFAOYSA-N 2 0 328.457 -0.471 20 0 EBADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)C1(C)C ZINC000565538423 380423901 /nfs/dbraw/zinc/42/39/01/380423901.db2.gz SRWXIXVPIKXAKO-ZUZCIYMTSA-N 2 0 337.428 -0.315 20 0 EBADRP C[C@@H](CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)C[NH+]1CCN(C)CC1 ZINC000362564383 380411523 /nfs/dbraw/zinc/41/15/23/380411523.db2.gz KERNBHIAQCTRIQ-GJZGRUSLSA-N 2 0 349.483 -0.184 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000565294487 380414667 /nfs/dbraw/zinc/41/46/67/380414667.db2.gz NJDHRACGUMPCRR-HNNXBMFYSA-N 2 0 337.468 -0.064 20 0 EBADRP CN(C)C(=O)C1(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CCCC1 ZINC000565358665 380416007 /nfs/dbraw/zinc/41/60/07/380416007.db2.gz HHRXFWGCHJFNIQ-OAHLLOKOSA-N 2 0 326.485 -0.167 20 0 EBADRP CC(C)CC[C@H]([NH3+])C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638486365 380484801 /nfs/dbraw/zinc/48/48/01/380484801.db2.gz RMIPCTQWZLEHKD-AWEZNQCLSA-N 2 0 325.457 -0.081 20 0 EBADRP O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638485958 380486394 /nfs/dbraw/zinc/48/63/94/380486394.db2.gz MOPWDKUHXAGCLC-GJZGRUSLSA-N 2 0 335.452 -0.314 20 0 EBADRP CC[NH+]1CCC(CCNC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000567337455 380511150 /nfs/dbraw/zinc/51/11/50/380511150.db2.gz VDBRPRNZFAPASD-OAHLLOKOSA-N 2 0 339.484 -0.674 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000340493216 380516234 /nfs/dbraw/zinc/51/62/34/380516234.db2.gz YVYPTWXAWQEXSB-UHFFFAOYSA-N 2 0 340.468 -0.329 20 0 EBADRP COCC[N@H+](C)C[C@@H](O)CN1CCC(N(C)S(C)(=O)=O)CC1 ZINC000572583433 380517618 /nfs/dbraw/zinc/51/76/18/380517618.db2.gz OQINVDYZLZXIMX-CQSZACIVSA-N 2 0 337.486 -0.719 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000340347219 380468437 /nfs/dbraw/zinc/46/84/37/380468437.db2.gz OFSMBSNFKQWSPC-UHFFFAOYSA-N 2 0 341.500 -0.460 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)c3cn(CC[NH3+])nn3)CC2)c1 ZINC000566507897 380477572 /nfs/dbraw/zinc/47/75/72/380477572.db2.gz NAEWXTZULUVROP-UHFFFAOYSA-N 2 0 331.380 -0.397 20 0 EBADRP O=C(CCC1CC[NH2+]CC1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638479671 380482470 /nfs/dbraw/zinc/48/24/70/380482470.db2.gz CKRGZFRNNCZGQI-UHFFFAOYSA-N 2 0 337.468 -0.064 20 0 EBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000567801353 380544388 /nfs/dbraw/zinc/54/43/88/380544388.db2.gz YCHNZGYXTFWWNC-CABCVRRESA-N 2 0 348.451 -0.123 20 0 EBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000567801356 380545331 /nfs/dbraw/zinc/54/53/31/380545331.db2.gz YCHNZGYXTFWWNC-LSDHHAIUSA-N 2 0 348.451 -0.123 20 0 EBADRP COCC1(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC[NH2+]CC1 ZINC000567834309 380549483 /nfs/dbraw/zinc/54/94/83/380549483.db2.gz KSYQKKCCADZNMS-ZDUSSCGKSA-N 2 0 326.441 -0.684 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C)Cn1ccnc1 ZINC000340652204 380577258 /nfs/dbraw/zinc/57/72/58/380577258.db2.gz WSOLCODKQFOTDK-ZIAGYGMSSA-N 2 0 337.424 -0.385 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000569111842 380630011 /nfs/dbraw/zinc/63/00/11/380630011.db2.gz XWDVBVXELYHFLL-AWEZNQCLSA-N 2 0 346.431 -0.520 20 0 EBADRP C[C@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000340783358 380631053 /nfs/dbraw/zinc/63/10/53/380631053.db2.gz WGLBHWAZHCUVDQ-CQSZACIVSA-N 2 0 327.473 -0.994 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000340799890 380633935 /nfs/dbraw/zinc/63/39/35/380633935.db2.gz QIWFFXLLAWYULJ-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP COC[C@]1(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC[NH2+]C1 ZINC000569233564 380635105 /nfs/dbraw/zinc/63/51/05/380635105.db2.gz JGTQKROZFNKHBV-CJNGLKHVSA-N 2 0 326.441 -0.684 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000340799892 380635441 /nfs/dbraw/zinc/63/54/41/380635441.db2.gz QIWFFXLLAWYULJ-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC3CC[NH+](CC4CC4)CC3)CCN2C1=O ZINC000568534910 380608441 /nfs/dbraw/zinc/60/84/41/380608441.db2.gz LEOYVZZCNFCDBW-LSDHHAIUSA-N 2 0 335.452 -0.186 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000572842077 380647152 /nfs/dbraw/zinc/64/71/52/380647152.db2.gz PSFDPTLCYVJMBA-XDQVBPFNSA-N 2 0 328.457 -0.156 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000627502178 380618793 /nfs/dbraw/zinc/61/87/93/380618793.db2.gz MYSHJGWUWJFZHZ-YIYPIFLZSA-N 2 0 326.441 -0.532 20 0 EBADRP COC[C@]1(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCC[NH2+]1 ZINC000568975566 380623809 /nfs/dbraw/zinc/62/38/09/380623809.db2.gz KTGVGUILURPPAI-MRXNPFEDSA-N 3 0 329.489 -0.110 20 0 EBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)C[C@@H]2COCC[NH2+]2)c1 ZINC000569103787 380629241 /nfs/dbraw/zinc/62/92/41/380629241.db2.gz UUJUWPDEHUNOEU-GFCCVEGCSA-N 2 0 342.421 -0.759 20 0 EBADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000573206595 380663717 /nfs/dbraw/zinc/66/37/17/380663717.db2.gz GKZCDXLKJXWXHK-LSDHHAIUSA-N 3 0 339.484 -0.497 20 0 EBADRP CC[NH+](CC)CCSCC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000573386832 380671106 /nfs/dbraw/zinc/67/11/06/380671106.db2.gz QJUWFUKTMMYDKU-CHWSQXEVSA-N 2 0 328.482 -0.168 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000341154164 380672048 /nfs/dbraw/zinc/67/20/48/380672048.db2.gz DQOZATOGIIOTEU-UONOGXRCSA-N 2 0 325.457 -0.033 20 0 EBADRP C[N@@H+]1CCCN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000341160552 380674613 /nfs/dbraw/zinc/67/46/13/380674613.db2.gz KFJXQPLULKDXAK-AWEZNQCLSA-N 2 0 325.457 -0.079 20 0 EBADRP C[N@@H+]1CCCN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000341160553 380674822 /nfs/dbraw/zinc/67/48/22/380674822.db2.gz KFJXQPLULKDXAK-CQSZACIVSA-N 2 0 325.457 -0.079 20 0 EBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000573838975 380688554 /nfs/dbraw/zinc/68/85/54/380688554.db2.gz HWIXPYCLEZYPOU-UHFFFAOYSA-N 2 0 330.432 -0.121 20 0 EBADRP CC(C)[C@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000121162063 380705339 /nfs/dbraw/zinc/70/53/39/380705339.db2.gz LHHUOCKXNQKOIJ-DOTOQJQBSA-N 2 0 343.516 -0.130 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)C1 ZINC000574261672 380706038 /nfs/dbraw/zinc/70/60/38/380706038.db2.gz NBUJUJCOVMQTRT-HUUCEWRRSA-N 2 0 340.468 -0.343 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000574278767 380706770 /nfs/dbraw/zinc/70/67/70/380706770.db2.gz DDYCFNBNQLRXJQ-KBMXLJTQSA-N 2 0 340.468 -0.169 20 0 EBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)NC3CC([NH+]4CCCCC4)C3)CCN2C1=O ZINC000573021583 380654268 /nfs/dbraw/zinc/65/42/68/380654268.db2.gz DWPZPOPXWSFGLZ-WUCCLRPBSA-N 2 0 335.452 -0.043 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000574324310 380708681 /nfs/dbraw/zinc/70/86/81/380708681.db2.gz XGUIWFCSEFJKHX-KBPBESRZSA-N 2 0 327.473 -0.676 20 0 EBADRP COC[C@@]1(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000573117073 380659980 /nfs/dbraw/zinc/65/99/80/380659980.db2.gz DAQOMDKZGGSTPT-WMLDXEAASA-N 2 0 338.452 -0.717 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000575984460 380752834 /nfs/dbraw/zinc/75/28/34/380752834.db2.gz VLEUSCCMPQCUGD-ZIAGYGMSSA-N 2 0 336.440 -0.129 20 0 EBADRP CC[NH+]1CCN(CCC(=O)N[C@H](C)C(=O)NCC[NH+](C)C)CC1 ZINC000576529136 380774322 /nfs/dbraw/zinc/77/43/22/380774322.db2.gz FAKFZESLRFOSTE-CQSZACIVSA-N 2 0 327.473 -0.804 20 0 EBADRP CC[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC[N@@H+]1C[C@@H](C)O ZINC000576808628 380786009 /nfs/dbraw/zinc/78/60/09/380786009.db2.gz HTVLYJDFMWJYIY-KFWWJZLASA-N 2 0 327.473 -0.623 20 0 EBADRP CS(=O)(=O)N1CC[C@H](C[N@@H+]2CC[C@H](CN3CCOCC3)C2)C1 ZINC000374882746 380816703 /nfs/dbraw/zinc/81/67/03/380816703.db2.gz WHMHHFBORNCHIR-HUUCEWRRSA-N 2 0 331.482 -0.078 20 0 EBADRP O=C(NCCCN1CC[NH2+]CC1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000418291299 380829381 /nfs/dbraw/zinc/82/93/81/380829381.db2.gz VQAAPTMVMIPAFF-HNNXBMFYSA-N 2 0 327.473 -0.572 20 0 EBADRP C[NH+]1CCC(n2cc(NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)cn2)CC1 ZINC000638977548 380841931 /nfs/dbraw/zinc/84/19/31/380841931.db2.gz MGRBUOAFDHAPIH-CQSZACIVSA-N 2 0 334.424 -0.044 20 0 EBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000577943023 380857381 /nfs/dbraw/zinc/85/73/81/380857381.db2.gz IZRYFXOLMWATRQ-UONOGXRCSA-N 3 0 327.473 -0.948 20 0 EBADRP COC(=O)CNC(=O)CC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180941172 380928865 /nfs/dbraw/zinc/92/88/65/380928865.db2.gz JKIJLHVZGZMNNS-UHFFFAOYSA-N 2 0 328.457 -0.377 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000417432237 380886614 /nfs/dbraw/zinc/88/66/14/380886614.db2.gz SNMPUIVVYILYDJ-KBPBESRZSA-N 2 0 325.457 -0.020 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N1CCOCC1 ZINC000129733877 380913439 /nfs/dbraw/zinc/91/34/39/380913439.db2.gz XKIBOHLTNLASGZ-OAHLLOKOSA-N 2 0 348.513 -0.089 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC000563799478 380954138 /nfs/dbraw/zinc/95/41/38/380954138.db2.gz NXZCMCTWDVGQKY-HNNXBMFYSA-N 2 0 340.468 -0.425 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000579353989 380985197 /nfs/dbraw/zinc/98/51/97/380985197.db2.gz NSGMDSMLQYPXAA-UONOGXRCSA-N 3 0 341.500 -0.287 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](CC(N)=O)C2)C1 ZINC000377526916 380978236 /nfs/dbraw/zinc/97/82/36/380978236.db2.gz VNXTXBJKJCINKJ-HUUCEWRRSA-N 2 0 340.468 -0.343 20 0 EBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000343824186 381013608 /nfs/dbraw/zinc/01/36/08/381013608.db2.gz ARORLTSCNKRHAJ-LSDHHAIUSA-N 2 0 340.468 -0.105 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000579861786 381021697 /nfs/dbraw/zinc/02/16/97/381021697.db2.gz OPKNPRMWTJYJRV-CQSZACIVSA-N 2 0 328.457 -0.425 20 0 EBADRP CC[NH2+]CCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000579932447 381023842 /nfs/dbraw/zinc/02/38/42/381023842.db2.gz YAFGBXGGOQNPLJ-AWEZNQCLSA-N 2 0 325.457 -0.066 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000377769610 380992617 /nfs/dbraw/zinc/99/26/17/380992617.db2.gz MMJCRLVGTVYOML-ARFHVFGLSA-N 2 0 340.468 -0.052 20 0 EBADRP CN(CCn1cccn1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000580938215 381045817 /nfs/dbraw/zinc/04/58/17/381045817.db2.gz GFSZPSBYHKXCNV-UHFFFAOYSA-N 2 0 338.456 -0.707 20 0 EBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000642439534 381093981 /nfs/dbraw/zinc/09/39/81/381093981.db2.gz LADPABPFGZUFNP-KBPBESRZSA-N 2 0 326.441 -0.447 20 0 EBADRP CN1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@@H](C[NH3+])C1 ZINC000581874255 381103391 /nfs/dbraw/zinc/10/33/91/381103391.db2.gz ZPPNXWHSJVKKDF-AWEZNQCLSA-N 3 0 326.489 -0.703 20 0 EBADRP COCC[N@H+](C)C[C@H](O)CN1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000583182548 381106843 /nfs/dbraw/zinc/10/68/43/381106843.db2.gz ZXTYWQBKGSMXAQ-HOTGVXAUSA-N 2 0 343.468 -0.361 20 0 EBADRP C[C@@H]1C[C@@H](C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC[NH2+]1 ZINC000581931148 381119576 /nfs/dbraw/zinc/11/95/76/381119576.db2.gz DGTXMRROWYRFIS-KGLIPLIRSA-N 2 0 336.436 -0.332 20 0 EBADRP C[NH2+]C[C@@H](C)CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000418385226 381120286 /nfs/dbraw/zinc/12/02/86/381120286.db2.gz KFVHLWLOZWECQF-CQSZACIVSA-N 2 0 325.457 -0.209 20 0 EBADRP CC1[C@H](C(=O)N2CC(C[NH+](C)C)C2)[C@H]1C(=O)N1CC(C[NH+](C)C)C1 ZINC000615502236 381142369 /nfs/dbraw/zinc/14/23/69/381142369.db2.gz JQVJXKMZUSHMGN-HOTGVXAUSA-N 2 0 336.480 -0.092 20 0 EBADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000642517665 381158276 /nfs/dbraw/zinc/15/82/76/381158276.db2.gz GXXCUPBEFHCEKK-HNNXBMFYSA-N 2 0 339.484 -0.676 20 0 EBADRP CN1CCN(C(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)[C@H](C[NH3+])C1 ZINC000583312346 381125891 /nfs/dbraw/zinc/12/58/91/381125891.db2.gz GQZKVAGMCQIZPS-ZIAGYGMSSA-N 2 0 339.484 -0.676 20 0 EBADRP CC(C)(CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[NH+]1CCCCC1 ZINC000418846608 381302284 /nfs/dbraw/zinc/30/22/84/381302284.db2.gz YPVJNYJZNVJSSK-AWEZNQCLSA-N 2 0 340.468 -0.057 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)C1 ZINC000418920403 381342069 /nfs/dbraw/zinc/34/20/69/381342069.db2.gz KYHQVRKMBMKDHZ-ZNMIVQPWSA-N 2 0 340.468 -0.332 20 0 EBADRP O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000643478889 381327782 /nfs/dbraw/zinc/32/77/82/381327782.db2.gz MBBDREOKLQICHT-ZBFHGGJFSA-N 2 0 343.431 -0.059 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)[NH2+]1 ZINC000643478742 381328136 /nfs/dbraw/zinc/32/81/36/381328136.db2.gz AMKPIPFMSAFKRQ-OKILXGFUSA-N 2 0 331.420 -0.061 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CCCO1 ZINC000418883883 381331183 /nfs/dbraw/zinc/33/11/83/381331183.db2.gz VTOYAWRYFVWOIT-LSDHHAIUSA-N 2 0 340.468 -0.138 20 0 EBADRP CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000418881652 381331422 /nfs/dbraw/zinc/33/14/22/381331422.db2.gz XTBKAQIHDVUENY-WCQYABFASA-N 2 0 326.441 -0.184 20 0 EBADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)[C@H]1c1ccccc1 ZINC000418918260 381339353 /nfs/dbraw/zinc/33/93/53/381339353.db2.gz ZIIQQQLCLVFGFL-HRCADAONSA-N 2 0 346.431 -0.266 20 0 EBADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000418863252 381314760 /nfs/dbraw/zinc/31/47/60/381314760.db2.gz BLVWQHCEGRIUAQ-RRFJBIMHSA-N 2 0 340.468 -0.201 20 0 EBADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000347971999 381315272 /nfs/dbraw/zinc/31/52/72/381315272.db2.gz RTVUAVAIZJLMOR-GJZGRUSLSA-N 2 0 339.484 -0.804 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NCCCCC[NH+]2CCCCC2)CCO1 ZINC000418930150 381344032 /nfs/dbraw/zinc/34/40/32/381344032.db2.gz BGJDTSPPCBFLML-OAHLLOKOSA-N 2 0 340.468 -0.055 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000418907783 381344061 /nfs/dbraw/zinc/34/40/61/381344061.db2.gz MGSYATFXJVFMGP-HZPDHXFCSA-N 2 0 348.447 -0.100 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C1 ZINC000418916049 381347817 /nfs/dbraw/zinc/34/78/17/381347817.db2.gz GOIFXISDCXNGKP-HUUCEWRRSA-N 2 0 340.468 -0.201 20 0 EBADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)[C@@H]1c1ccccc1 ZINC000418912947 381347872 /nfs/dbraw/zinc/34/78/72/381347872.db2.gz SAKWBBOKCDMKPP-JYJNAYRXSA-N 2 0 346.431 -0.347 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000418931274 381343535 /nfs/dbraw/zinc/34/35/35/381343535.db2.gz YBEFLIVPWVYOFP-ZIAGYGMSSA-N 2 0 326.441 -0.720 20 0 EBADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000419242818 381407585 /nfs/dbraw/zinc/40/75/85/381407585.db2.gz RPHQBUMCTCPTHO-VXGBXAGGSA-N 2 0 326.441 -0.184 20 0 EBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000419289504 381413454 /nfs/dbraw/zinc/41/34/54/381413454.db2.gz TZNCLAINCMIPFZ-UONOGXRCSA-N 2 0 328.457 -0.201 20 0 EBADRP C[NH2+]CCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419164140 381391466 /nfs/dbraw/zinc/39/14/66/381391466.db2.gz LKBQADIDGIJDLO-MRXNPFEDSA-N 2 0 348.447 -0.271 20 0 EBADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)C(C)(C)C ZINC000419134490 381393009 /nfs/dbraw/zinc/39/30/09/381393009.db2.gz KCDSLTAAFCFJJR-OLZOCXBDSA-N 2 0 328.457 -0.345 20 0 EBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000419214048 381402177 /nfs/dbraw/zinc/40/21/77/381402177.db2.gz MDCZNDAQQHRJPM-CYBMUJFWSA-N 2 0 336.436 -0.046 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[C@@H](C)[NH2+]1 ZINC000419182177 381403822 /nfs/dbraw/zinc/40/38/22/381403822.db2.gz LFJXZPZYRQQWQA-ZIAGYGMSSA-N 2 0 339.484 -0.663 20 0 EBADRP C[N@H+](CCCNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)C1CCCCC1 ZINC000419405094 381428806 /nfs/dbraw/zinc/42/88/06/381428806.db2.gz HEXQQAJVNDNNST-OAHLLOKOSA-N 2 0 340.468 -0.138 20 0 EBADRP CO[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000419412645 381429472 /nfs/dbraw/zinc/42/94/72/381429472.db2.gz RCXFQHKYWJNFJX-QLFBSQMISA-N 2 0 340.468 -0.201 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419537417 381450762 /nfs/dbraw/zinc/45/07/62/381450762.db2.gz NNAZDSJVYNFTMG-RBSFLKMASA-N 2 0 338.452 -0.719 20 0 EBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000419501160 381441951 /nfs/dbraw/zinc/44/19/51/381441951.db2.gz AUKUSJSFCVYGIZ-MELADBBJSA-N 2 0 328.457 -0.202 20 0 EBADRP C[C@@H]1CCCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)[C@@H]1C[NH3+] ZINC000419485107 381445993 /nfs/dbraw/zinc/44/59/93/381445993.db2.gz UYMGQRXAYVKMHD-HUUCEWRRSA-N 2 0 340.468 -0.199 20 0 EBADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419474079 381446066 /nfs/dbraw/zinc/44/60/66/381446066.db2.gz BKWZMWKOYXVKBA-LSDHHAIUSA-N 2 0 340.468 -0.057 20 0 EBADRP C[C@H]1CCCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)[C@H]1C[NH3+] ZINC000419485105 381446245 /nfs/dbraw/zinc/44/62/45/381446245.db2.gz UYMGQRXAYVKMHD-GJZGRUSLSA-N 2 0 340.468 -0.199 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000419532023 381448369 /nfs/dbraw/zinc/44/83/69/381448369.db2.gz GOCKDDJEUBKBSH-RRFJBIMHSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419338001 381420357 /nfs/dbraw/zinc/42/03/57/381420357.db2.gz RPXJSAWBESYYCL-XWUBHJNHSA-N 2 0 338.452 -0.186 20 0 EBADRP CO[C@H]1CCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)[C@@H](C[NH3+])C1 ZINC000419691214 381472872 /nfs/dbraw/zinc/47/28/72/381472872.db2.gz DVEIKHZLLHPENZ-CABCVRRESA-N 2 0 340.468 -0.058 20 0 EBADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419696962 381473240 /nfs/dbraw/zinc/47/32/40/381473240.db2.gz WCRALVJLQIPPBD-CYBMUJFWSA-N 2 0 340.493 -0.058 20 0 EBADRP C[NH+](C)CCc1ccc(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000419713175 381477098 /nfs/dbraw/zinc/47/70/98/381477098.db2.gz QSDQGZRLBWFEKT-MRXNPFEDSA-N 2 0 348.447 -0.407 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])C1 ZINC000419723343 381481114 /nfs/dbraw/zinc/48/11/14/381481114.db2.gz FUZXHPBQXSUNHM-IHRRRGAJSA-N 2 0 326.441 -0.591 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CCSC1 ZINC000419590693 381461320 /nfs/dbraw/zinc/46/13/20/381461320.db2.gz UNQYEQMHZDVKLK-WFASDCNBSA-N 2 0 328.482 -0.202 20 0 EBADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000419657177 381466872 /nfs/dbraw/zinc/46/68/72/381466872.db2.gz JDNHYXBGQQYDLP-HNNXBMFYSA-N 2 0 348.447 -0.236 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000419853298 381509336 /nfs/dbraw/zinc/50/93/36/381509336.db2.gz AKPAHVITHLPAGL-HUUCEWRRSA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH2+]CCNC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419862384 381510182 /nfs/dbraw/zinc/51/01/82/381510182.db2.gz BJHCCZPQRTXERY-OKILXGFUSA-N 2 0 340.468 -0.330 20 0 EBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419871235 381515363 /nfs/dbraw/zinc/51/53/63/381515363.db2.gz PKDRKBRFGCSEFU-UHFFFAOYSA-N 2 0 327.473 -0.804 20 0 EBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000419896898 381518807 /nfs/dbraw/zinc/51/88/07/381518807.db2.gz YFMUZNUGLJWSIZ-UHFFFAOYSA-N 2 0 337.468 -0.905 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000419735347 381491349 /nfs/dbraw/zinc/49/13/49/381491349.db2.gz WCPHKPVHGOQXEK-CABCVRRESA-N 2 0 334.420 -0.361 20 0 EBADRP CCCN(C(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1)[C@H]1CC[NH2+]C1 ZINC000419736273 381492326 /nfs/dbraw/zinc/49/23/26/381492326.db2.gz XBIMPSYCOOOUIO-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000419892132 381519818 /nfs/dbraw/zinc/51/98/18/381519818.db2.gz NXMZHQSQGBOBCF-MJBXVCDLSA-N 2 0 326.441 -0.530 20 0 EBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000419785605 381494438 /nfs/dbraw/zinc/49/44/38/381494438.db2.gz SPJUOOXVLMJTNP-MGPQQGTHSA-N 2 0 328.457 -0.202 20 0 EBADRP CN1CCN(C(=O)CC[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)CC1 ZINC000420313516 381579127 /nfs/dbraw/zinc/57/91/27/381579127.db2.gz UGKYNLMPNAFIGR-OAHLLOKOSA-N 2 0 337.468 -0.953 20 0 EBADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000420193334 381565708 /nfs/dbraw/zinc/56/57/08/381565708.db2.gz IPJQZKKZVSASRH-HUUCEWRRSA-N 2 0 338.452 -0.432 20 0 EBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420199616 381568767 /nfs/dbraw/zinc/56/87/67/381568767.db2.gz WTTAPMJBYFUEMK-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420210330 381571208 /nfs/dbraw/zinc/57/12/08/381571208.db2.gz WEMWADHGDUTKQO-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000643483547 381613256 /nfs/dbraw/zinc/61/32/56/381613256.db2.gz JUNKPVYIMQTLQW-BFHYXJOUSA-N 2 0 326.441 -0.496 20 0 EBADRP CC[NH+](C)C[C@@H](O)CN1CCN(C[C@H](O)C[N@@H+](C)CC)C[C@H]1C ZINC000571696769 381614276 /nfs/dbraw/zinc/61/42/76/381614276.db2.gz MDCWJKNAQRFMKS-BRWVUGGUSA-N 2 0 330.517 -0.382 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351527354 381637446 /nfs/dbraw/zinc/63/74/46/381637446.db2.gz ZUOAPUJCXJFLOO-CABCVRRESA-N 2 0 339.484 -0.756 20 0 EBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000351582266 381648155 /nfs/dbraw/zinc/64/81/55/381648155.db2.gz XUSIGUMPBDRERY-HNNXBMFYSA-N 2 0 338.452 -0.575 20 0 EBADRP CCC[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000572368376 381679526 /nfs/dbraw/zinc/67/95/26/381679526.db2.gz NKRXTJMONVVKHJ-OAHLLOKOSA-N 2 0 342.484 -0.034 20 0 EBADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000331943828 381733584 /nfs/dbraw/zinc/73/35/84/381733584.db2.gz IQJVENJYPPLPSM-UONOGXRCSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000332116029 381750398 /nfs/dbraw/zinc/75/03/98/381750398.db2.gz XFPOUDYQOILVGY-KFWWJZLASA-N 2 0 337.468 -0.957 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000332959884 381752176 /nfs/dbraw/zinc/75/21/76/381752176.db2.gz UVNDLHXNGPPREZ-DZGCQCFKSA-N 2 0 329.514 -0.031 20 0 EBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000626812678 381793717 /nfs/dbraw/zinc/79/37/17/381793717.db2.gz KZBCMKZRVFJOID-QGZVFWFLSA-N 2 0 348.403 -0.710 20 0 EBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612600345 381843202 /nfs/dbraw/zinc/84/32/02/381843202.db2.gz FOYDDOFWLWODMZ-CABCVRRESA-N 2 0 338.452 -0.434 20 0 EBADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000332523129 381806052 /nfs/dbraw/zinc/80/60/52/381806052.db2.gz ASUBFPZCMULYCF-OAHLLOKOSA-N 2 0 338.452 -0.493 20 0 EBADRP C[C@@]1(NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC[NH2+]C1 ZINC000612882849 381875478 /nfs/dbraw/zinc/87/54/78/381875478.db2.gz GZUZEEZTHUSOSE-GDBMZVCRSA-N 2 0 325.457 -0.556 20 0 EBADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000352086559 381870310 /nfs/dbraw/zinc/87/03/10/381870310.db2.gz DUQRNOLWEGMAEY-UKRRQHHQSA-N 2 0 327.473 -0.914 20 0 EBADRP CN(C[C@H](O)CN1CCOCC1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000333198608 381896612 /nfs/dbraw/zinc/89/66/12/381896612.db2.gz YAXOPGIAJWKDGB-ARFHVFGLSA-N 2 0 340.468 -0.052 20 0 EBADRP Cn1cc(C[N@@H+]2CCO[C@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(=O)n(C)c1=O ZINC000537694421 381901611 /nfs/dbraw/zinc/90/16/11/381901611.db2.gz KPEIAZSEBTZCFP-KFWWJZLASA-N 2 0 336.436 -0.233 20 0 EBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000627397137 381926737 /nfs/dbraw/zinc/92/67/37/381926737.db2.gz FMSHYLZTLAWIHG-GJZGRUSLSA-N 2 0 334.420 -0.490 20 0 EBADRP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333489825 381927001 /nfs/dbraw/zinc/92/70/01/381927001.db2.gz DECMGIHMIFFQMV-WOPDTQHZSA-N 2 0 335.374 -0.174 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000333827299 381961219 /nfs/dbraw/zinc/96/12/19/381961219.db2.gz LWBKYJQPDKVGNZ-RBSFLKMASA-N 2 0 337.468 -0.068 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643511178 381963555 /nfs/dbraw/zinc/96/35/55/381963555.db2.gz KMHHAHSYZFCGOH-UONOGXRCSA-N 2 0 326.441 -0.767 20 0 EBADRP CC[C@H]1CN(C(=O)C(=O)N(CCOC)CC[NH+](C)C)CC[C@@H]1[NH3+] ZINC000643511238 381963690 /nfs/dbraw/zinc/96/36/90/381963690.db2.gz ZJJBCANNYKGLRG-KBPBESRZSA-N 2 0 328.457 -0.391 20 0 EBADRP CN1CCN(S(=O)(=O)N2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000333898525 381965300 /nfs/dbraw/zinc/96/53/00/381965300.db2.gz YSJFJTBQCYYHIH-HNNXBMFYSA-N 3 0 345.513 -0.904 20 0 EBADRP C[C@H]1CC2(C[N@@H+]1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)CC[NH2+]CC2 ZINC000333559896 381933046 /nfs/dbraw/zinc/93/30/46/381933046.db2.gz KURDAYUDSLCVEC-NSHDSACASA-N 2 0 349.435 -0.687 20 0 EBADRP C[C@H](O)CN1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)[C@@H](C)C1 ZINC000430437136 382018048 /nfs/dbraw/zinc/01/80/48/382018048.db2.gz UMNYYWSJOVZTLF-KKUMJFAQSA-N 2 0 340.468 -0.690 20 0 EBADRP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430538251 382019574 /nfs/dbraw/zinc/01/95/74/382019574.db2.gz AYHNVAIRENPSPQ-UONOGXRCSA-N 2 0 340.468 -0.071 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[NH+]1CCC(C)CC1 ZINC000563946427 382092841 /nfs/dbraw/zinc/09/28/41/382092841.db2.gz BKDUUCRWMMCKOK-HUUCEWRRSA-N 2 0 339.484 -0.676 20 0 EBADRP CC[NH+]1CCN(CC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000444382443 382148981 /nfs/dbraw/zinc/14/89/81/382148981.db2.gz FYSDRAQPIYZZHZ-HNNXBMFYSA-N 2 0 326.485 -0.073 20 0 EBADRP O=S(=O)(C1CC1)N1CCC([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629566833 382225609 /nfs/dbraw/zinc/22/56/09/382225609.db2.gz IPWQRKQRHSBUQV-AWEZNQCLSA-N 2 0 331.482 -0.011 20 0 EBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000354730737 285332328 /nfs/dbraw/zinc/33/23/28/285332328.db2.gz APSVNNCRZPZLQB-LSDHHAIUSA-N 2 0 339.484 -0.613 20 0 EBADRP O=S1(=O)C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H](N2CCOCC2)C1 ZINC000329403858 155224223 /nfs/dbraw/zinc/22/42/23/155224223.db2.gz WVHXQWJTGDNLNI-LVQVYYBASA-N 2 0 343.493 -0.299 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)n1 ZINC000172723319 154099677 /nfs/dbraw/zinc/09/96/77/154099677.db2.gz GAVGLMFKNRKOJU-CYBMUJFWSA-N 2 0 336.440 -0.207 20 0 EBADRP O=C(C(=O)N1CCN(CCCn2ccnc2)CC1)N1CCOCC1 ZINC000182661489 154132844 /nfs/dbraw/zinc/13/28/44/154132844.db2.gz RCHGHHNGUTYYMQ-UHFFFAOYSA-N 2 0 335.408 -0.724 20 0 EBADRP C[C@H]([NH3+])CC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000261668848 154195716 /nfs/dbraw/zinc/19/57/16/154195716.db2.gz AKYQZYPHULNIRS-ZDUSSCGKSA-N 2 0 334.424 -0.301 20 0 EBADRP Cc1noc([C@@H](C)N2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)n1 ZINC000261987553 154207646 /nfs/dbraw/zinc/20/76/46/154207646.db2.gz CNVBWJNGPZWMND-CYBMUJFWSA-N 2 0 336.440 -0.121 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000262158484 154214873 /nfs/dbraw/zinc/21/48/73/154214873.db2.gz PQUINBPSHHKXDB-HIFRSBDPSA-N 2 0 328.457 -0.441 20 0 EBADRP C[C@H]1CN(CCC(=O)N2CCN(c3ccccn3)CC2)CC(=O)N1 ZINC000296201906 155076565 /nfs/dbraw/zinc/07/65/65/155076565.db2.gz MUWRAYDFJJKWIP-AWEZNQCLSA-N 2 0 331.420 -0.059 20 0 EBADRP Cn1c2ncn(CC[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)c2c(=O)n(C)c1=O ZINC000342090284 156008165 /nfs/dbraw/zinc/00/81/65/156008165.db2.gz SOOTYAPIMUAIAD-AVGNSLFASA-N 2 0 346.435 -0.507 20 0 EBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000342706040 156052388 /nfs/dbraw/zinc/05/23/88/156052388.db2.gz LKLIHLZXLPZHDB-AWEZNQCLSA-N 2 0 327.425 -0.162 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]([NH3+])CCC(=O)OC)CC1 ZINC000342691348 156053091 /nfs/dbraw/zinc/05/30/91/156053091.db2.gz HHJZPDDZSBKNBB-CYBMUJFWSA-N 2 0 342.440 -0.721 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H]1NC(=O)NC1=O ZINC000343337737 156126344 /nfs/dbraw/zinc/12/63/44/156126344.db2.gz KPJWCVHVAKWTMP-CHWSQXEVSA-N 2 0 339.440 -0.541 20 0 EBADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000343883631 156176850 /nfs/dbraw/zinc/17/68/50/156176850.db2.gz FRHXTBISXHFUEX-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)C(C)C)C1 ZINC000343899566 156184837 /nfs/dbraw/zinc/18/48/37/156184837.db2.gz AQKVRKFJKNRZMW-CQSZACIVSA-N 2 0 328.457 -0.378 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)NCC1CC[NH+](CCO)CC1)C(C)C ZINC000344686436 156256450 /nfs/dbraw/zinc/25/64/50/156256450.db2.gz RQLBZLVZXKQWJQ-UHFFFAOYSA-N 2 0 342.484 -0.347 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CC[C@H](C(N)=O)O1 ZINC000352045315 156745800 /nfs/dbraw/zinc/74/58/00/156745800.db2.gz OEGULSQOLBGTRY-ZIAGYGMSSA-N 2 0 328.457 -0.249 20 0 EBADRP C[NH2+][C@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1cnn(C)c1 ZINC000357240810 157128264 /nfs/dbraw/zinc/12/82/64/157128264.db2.gz KGOYRZCOHNPNIB-INIZCTEOSA-N 2 0 348.451 -0.553 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000357572705 157155564 /nfs/dbraw/zinc/15/55/64/157155564.db2.gz GGEDPIRJKADVBF-ZFWWWQNUSA-N 2 0 340.468 -0.330 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCC[NH+](C)[C@H]1C ZINC000357583090 157156014 /nfs/dbraw/zinc/15/60/14/157156014.db2.gz USWQHTXEXCYLIX-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[NH+]1CCC(NC(=O)CN(C)C2CC[NH+](CCO)CC2)CC1 ZINC000357722200 157170498 /nfs/dbraw/zinc/17/04/98/157170498.db2.gz PXUFZWHMAPEVEH-UHFFFAOYSA-N 2 0 326.485 -0.025 20 0 EBADRP C[NH+]1CCN(CCOc2ccc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)cc2)CC1 ZINC000357917092 157187193 /nfs/dbraw/zinc/18/71/93/157187193.db2.gz IMRLBYZPHXMKLG-NVXWUHKLSA-N 2 0 348.447 -0.026 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCO[C@H](C[NH3+])C2)CC1=O ZINC000358496549 157248421 /nfs/dbraw/zinc/24/84/21/157248421.db2.gz LQCDQVWWENHIJH-RBSFLKMASA-N 2 0 338.452 -0.495 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000358558484 157258439 /nfs/dbraw/zinc/25/84/39/157258439.db2.gz JFYQHEYWQBXWJE-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000358578077 157263446 /nfs/dbraw/zinc/26/34/46/157263446.db2.gz YBLSBRYUYSUUSP-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP NS(=O)(=O)c1cccc(NC(=O)CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359269882 157306669 /nfs/dbraw/zinc/30/66/69/157306669.db2.gz DNJCXMFROHNMSB-RYUDHWBXSA-N 2 0 338.433 -0.186 20 0 EBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+](CCOC)C1 ZINC000359259032 157308138 /nfs/dbraw/zinc/30/81/38/157308138.db2.gz FXQCHRADGHFAAJ-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000360277516 157371395 /nfs/dbraw/zinc/37/13/95/157371395.db2.gz CNYZMLLPJNYQIY-KBPBESRZSA-N 2 0 326.441 -0.767 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000360277781 157372096 /nfs/dbraw/zinc/37/20/96/157372096.db2.gz DMYJNOFQIUYACK-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1=O ZINC000360339849 157374659 /nfs/dbraw/zinc/37/46/59/157374659.db2.gz VWURVGVTUIDOMF-BBRMVZONSA-N 2 0 342.509 -0.050 20 0 EBADRP CS[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@H]1[NH+](C)C ZINC000357911756 286703163 /nfs/dbraw/zinc/70/31/63/286703163.db2.gz LCILZBBTKNWAMH-BFHYXJOUSA-N 2 0 342.509 -0.100 20 0 EBADRP C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)[C@H]1CN(C)CCO1 ZINC000672961949 545913183 /nfs/dbraw/zinc/91/31/83/545913183.db2.gz WAPSWYOULDNYSZ-BYNSBNAKSA-N 2 0 328.457 -0.198 20 0 EBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000418936810 418948112 /nfs/dbraw/zinc/94/81/12/418948112.db2.gz KJOVPPNGDPMGQB-IHRRRGAJSA-N 2 0 328.457 -0.202 20 0 EBADRP COCCN1C[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1=O ZINC000530641801 418963690 /nfs/dbraw/zinc/96/36/90/418963690.db2.gz NOJYWADTHBTBQS-CQSZACIVSA-N 2 0 328.457 -0.567 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419551277 419015903 /nfs/dbraw/zinc/01/59/03/419015903.db2.gz XJSZHOMCGQUHKV-MELADBBJSA-N 2 0 326.441 -0.401 20 0 EBADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000653137792 418993596 /nfs/dbraw/zinc/99/35/96/418993596.db2.gz TUPAVUCJUDZHMP-WDEREUQCSA-N 2 0 325.379 -0.782 20 0 EBADRP C[NH+](C)CCN1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1=O ZINC000650307034 419008596 /nfs/dbraw/zinc/00/85/96/419008596.db2.gz KLSSGMSEEMMGKA-ZDUSSCGKSA-N 2 0 328.482 -0.344 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000647597088 419122436 /nfs/dbraw/zinc/12/24/36/419122436.db2.gz LLJCRJXPBSXSDP-KKUMJFAQSA-N 2 0 339.484 -0.533 20 0 EBADRP CN(CCC[NH+](C)C)CCNC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000665221261 419148118 /nfs/dbraw/zinc/14/81/18/419148118.db2.gz AFIHDRHSMSBJDO-CYBMUJFWSA-N 2 0 349.501 -0.797 20 0 EBADRP CN1CCN(C)[C@H](C[NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000644559456 419169388 /nfs/dbraw/zinc/16/93/88/419169388.db2.gz PCCOBAJAFYFCFJ-ZIAGYGMSSA-N 2 0 346.431 -0.521 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000644598272 419171823 /nfs/dbraw/zinc/17/18/23/419171823.db2.gz ISMIYAWZWICTRU-SJORKVTESA-N 2 0 338.496 -0.025 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCCC2(C[NH3+])CC2)CCCO1 ZINC000652668708 419247638 /nfs/dbraw/zinc/24/76/38/419247638.db2.gz KCNHVMJNZPIWMC-CQSZACIVSA-N 2 0 340.468 -0.151 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652670538 419247716 /nfs/dbraw/zinc/24/77/16/419247716.db2.gz VTUCGEVDIQXEQM-CQSZACIVSA-N 2 0 340.468 -0.295 20 0 EBADRP [NH3+]CC1(CCNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000652232197 419230746 /nfs/dbraw/zinc/23/07/46/419230746.db2.gz SZXYNTCVTGYXBQ-CQSZACIVSA-N 2 0 337.468 -0.031 20 0 EBADRP Cn1c(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc(=O)n(C)c1=O ZINC000652361658 419233943 /nfs/dbraw/zinc/23/39/43/419233943.db2.gz LWLMFBWMHBKCRV-CFVMTHIKSA-N 2 0 336.436 -0.055 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cn1 ZINC000652612472 419241242 /nfs/dbraw/zinc/24/12/42/419241242.db2.gz SKBVLHSTQOWOLS-OAHLLOKOSA-N 2 0 335.456 -0.044 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cn1 ZINC000652623215 419241639 /nfs/dbraw/zinc/24/16/39/419241639.db2.gz CSFXBRTWESZTDI-JSGCOSHPSA-N 2 0 334.424 -0.406 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000652622359 419241738 /nfs/dbraw/zinc/24/17/38/419241738.db2.gz IDAUVYLUZUHTSQ-MRXNPFEDSA-N 2 0 334.424 -0.405 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)cn1 ZINC000652623159 419241743 /nfs/dbraw/zinc/24/17/43/419241743.db2.gz BRLFFCIBHSCTRO-UHFFFAOYSA-N 2 0 348.451 -0.015 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000531857145 419274399 /nfs/dbraw/zinc/27/43/99/419274399.db2.gz YFSQIXAJXTUGFC-CHWSQXEVSA-N 2 0 329.445 -0.846 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000645260555 419318455 /nfs/dbraw/zinc/31/84/55/419318455.db2.gz KDDSIVBMUHHRJS-AWEZNQCLSA-N 2 0 343.472 -0.284 20 0 EBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCN2CCOCC2)C1 ZINC000411025880 419286707 /nfs/dbraw/zinc/28/67/07/419286707.db2.gz MRMANQIHVWCSII-HNNXBMFYSA-N 2 0 340.468 -0.282 20 0 EBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCN(C[C@@H](C)O)CC2)C1 ZINC000411029129 419287597 /nfs/dbraw/zinc/28/75/97/419287597.db2.gz PVWBQQKVTDBWSW-HUUCEWRRSA-N 2 0 340.468 -0.548 20 0 EBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000645220926 419300894 /nfs/dbraw/zinc/30/08/94/419300894.db2.gz BPIDRQUVZUXSHK-OAHLLOKOSA-N 2 0 331.420 -0.012 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC2)C[C@H]1C[NH3+] ZINC000652730988 419330272 /nfs/dbraw/zinc/33/02/72/419330272.db2.gz YCSCZSYYSLKOBN-TZMCWYRMSA-N 2 0 326.441 -0.639 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)C[C@H]1C[NH3+] ZINC000652731788 419334168 /nfs/dbraw/zinc/33/41/68/419334168.db2.gz VALAEPZJQOHQGY-UKRRQHHQSA-N 2 0 340.468 -0.202 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)NCC[N@@H+](C)C2CC2)CCSC1 ZINC000340433819 419358572 /nfs/dbraw/zinc/35/85/72/419358572.db2.gz QPOPZYCDFUTHJV-OAHLLOKOSA-N 2 0 328.482 -0.250 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000340484516 419360655 /nfs/dbraw/zinc/36/06/55/419360655.db2.gz OGZQZRBBCQAUPE-SOUVJXGZSA-N 2 0 338.452 -0.434 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000340805278 419381711 /nfs/dbraw/zinc/38/17/11/419381711.db2.gz UTKABLYTPYDACL-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000340799217 419382461 /nfs/dbraw/zinc/38/24/61/419382461.db2.gz NAEJZWONTCZKKR-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@H](C)[NH2+]1 ZINC000519381555 419521392 /nfs/dbraw/zinc/52/13/92/419521392.db2.gz WCIMFHXUTVXLJL-ZIAGYGMSSA-N 3 0 327.473 -0.853 20 0 EBADRP CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000519634963 419535619 /nfs/dbraw/zinc/53/56/19/419535619.db2.gz JQUZCVBIYCMHTA-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C(=O)N1CCCC[C@@H]1C ZINC000518964603 419510450 /nfs/dbraw/zinc/51/04/50/419510450.db2.gz BSHCTDZEYRWLKG-HRCADAONSA-N 2 0 326.485 -0.026 20 0 EBADRP C[C@H](NC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CN(C)CCO1 ZINC000655710023 419622131 /nfs/dbraw/zinc/62/21/31/419622131.db2.gz RWJFFJDPQSDPAG-XQLPTFJDSA-N 2 0 326.441 -0.132 20 0 EBADRP C[C@H](NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)[C@@H]1CN(C)CCO1 ZINC000655709955 419624836 /nfs/dbraw/zinc/62/48/36/419624836.db2.gz QJKCAEHIRFBWSN-ZNMIVQPWSA-N 2 0 328.457 -0.149 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000358573522 419674040 /nfs/dbraw/zinc/67/40/40/419674040.db2.gz SBMNOZXRBKUVKP-GOOCMWNKSA-N 2 0 340.468 -0.188 20 0 EBADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000659683468 419692813 /nfs/dbraw/zinc/69/28/13/419692813.db2.gz ZHTLBXGAYOCWQU-ZNMIVQPWSA-N 2 0 342.484 -0.036 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)C1 ZINC000659680053 419693047 /nfs/dbraw/zinc/69/30/47/419693047.db2.gz JZGSQCVBHOMHDZ-LSDHHAIUSA-N 2 0 342.484 -0.051 20 0 EBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1(C)C ZINC000659688665 419696448 /nfs/dbraw/zinc/69/64/48/419696448.db2.gz FPCKQJLZJDZPHA-UHFFFAOYSA-N 2 0 337.468 -0.922 20 0 EBADRP CCC[NH2+]CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659711776 419773513 /nfs/dbraw/zinc/77/35/13/419773513.db2.gz DLFDEDYCDRDEGB-AWEZNQCLSA-N 2 0 326.441 -0.528 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CCO1 ZINC000659713581 419780936 /nfs/dbraw/zinc/78/09/36/419780936.db2.gz GEJRLAMZAYULJC-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000419879551 419813123 /nfs/dbraw/zinc/81/31/23/419813123.db2.gz ZBYSENARLXRWOL-OAHLLOKOSA-N 2 0 337.468 -0.905 20 0 EBADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419878733 419814033 /nfs/dbraw/zinc/81/40/33/419814033.db2.gz YHXWTVMNAVNOKV-GASCZTMLSA-N 2 0 339.484 -0.613 20 0 EBADRP CC[NH2+]CCNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000419880148 419814850 /nfs/dbraw/zinc/81/48/50/419814850.db2.gz UHFWHDYAPQOAGG-AWEZNQCLSA-N 2 0 339.484 -0.661 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419875680 419814923 /nfs/dbraw/zinc/81/49/23/419814923.db2.gz WWPNHCYLKFARGA-KGLIPLIRSA-N 2 0 326.441 -0.591 20 0 EBADRP CCC[NH2+]CCNC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419917657 419817820 /nfs/dbraw/zinc/81/78/20/419817820.db2.gz HTWBZGCGFADZTJ-OKILXGFUSA-N 2 0 328.457 -0.282 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC2)c1 ZINC000419962979 419822696 /nfs/dbraw/zinc/82/26/96/419822696.db2.gz VSSQKUPGPDJBMS-LBPRGKRZSA-N 2 0 335.408 -0.550 20 0 EBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000420021810 419838580 /nfs/dbraw/zinc/83/85/80/419838580.db2.gz IRHTXLRAXDYYIB-KBXCAEBGSA-N 2 0 348.447 -0.455 20 0 EBADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000423207040 419922737 /nfs/dbraw/zinc/92/27/37/419922737.db2.gz GKTYUZJWBKGNBD-AWEZNQCLSA-N 2 0 342.484 -0.001 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423266052 419928837 /nfs/dbraw/zinc/92/88/37/419928837.db2.gz RRCDHVORSFFFEE-KGLIPLIRSA-N 2 0 326.441 -0.909 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000423265687 419929478 /nfs/dbraw/zinc/92/94/78/419929478.db2.gz RECKXINUCRVAPF-ZDUSSCGKSA-N 2 0 328.457 -0.391 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000423263530 419929559 /nfs/dbraw/zinc/92/95/59/419929559.db2.gz ORRSDCLQBVUFJA-HUUCEWRRSA-N 2 0 342.484 -0.001 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423266051 419931193 /nfs/dbraw/zinc/93/11/93/419931193.db2.gz RRCDHVORSFFFEE-KBPBESRZSA-N 2 0 326.441 -0.909 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C[C@H](C)[NH2+]1 ZINC000423217779 419924957 /nfs/dbraw/zinc/92/49/57/419924957.db2.gz UTFHFJPHXFPXDT-ZNMIVQPWSA-N 2 0 340.468 -0.236 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423219706 419925804 /nfs/dbraw/zinc/92/58/04/419925804.db2.gz XDEQBDYUXVILNR-QLFBSQMISA-N 2 0 338.452 -0.767 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000423262416 419926578 /nfs/dbraw/zinc/92/65/78/419926578.db2.gz MLGCPDKGFHQYQK-KGLIPLIRSA-N 2 0 328.457 -0.534 20 0 EBADRP Cn1c2ncn(CC[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)c2c(=O)n(C)c1=O ZINC000516182213 419986832 /nfs/dbraw/zinc/98/68/32/419986832.db2.gz MWKMKHPLIXDSTE-BETUJISGSA-N 2 0 346.435 -0.635 20 0 EBADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H](O)CN2CCOCC2)CC1 ZINC000516276770 420510616 /nfs/dbraw/zinc/51/06/16/420510616.db2.gz LRIBXXOBYZYYIQ-QGZVFWFLSA-N 2 0 328.501 -0.313 20 0 EBADRP CN(C[C@@H](O)C1CC1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000659318541 420529168 /nfs/dbraw/zinc/52/91/68/420529168.db2.gz LMTXEYWPGUERRD-CQSZACIVSA-N 2 0 328.457 -0.833 20 0 EBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000645951440 420530037 /nfs/dbraw/zinc/53/00/37/420530037.db2.gz IQQSVICXWMXQDT-JSGCOSHPSA-N 2 0 349.439 -0.900 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000173588963 420685614 /nfs/dbraw/zinc/68/56/14/420685614.db2.gz KICCIWPMZZFYQH-OAHLLOKOSA-N 2 0 329.489 -0.110 20 0 EBADRP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000646803702 420694122 /nfs/dbraw/zinc/69/41/22/420694122.db2.gz DJOBKTWGURYLEL-UVWXRNBGSA-N 2 0 349.439 -0.315 20 0 EBADRP C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3COCC[NH2+]3)cn2)CC1 ZINC000529284250 420759956 /nfs/dbraw/zinc/75/99/56/420759956.db2.gz FXDBNDQFWFQMLF-OAHLLOKOSA-N 2 0 348.451 -0.379 20 0 EBADRP O=C(NCCN1CC[NH2+]CC1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529328867 420760721 /nfs/dbraw/zinc/76/07/21/420760721.db2.gz ICXQQVBAQRLOEG-INIZCTEOSA-N 2 0 339.484 -0.308 20 0 EBADRP C[C@@H](CNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[NH+](C)C ZINC000529333005 420763347 /nfs/dbraw/zinc/76/33/47/420763347.db2.gz UTWKCAHXWINUFV-ZDUSSCGKSA-N 2 0 326.445 -0.711 20 0 EBADRP O=C(N[C@H]1CCC[NH2+]CC1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529342576 420763418 /nfs/dbraw/zinc/76/34/18/420763418.db2.gz UUKYFRAGZUGINU-AWEZNQCLSA-N 2 0 338.456 -0.519 20 0 EBADRP O=C(NCC1CC[NH2+]CC1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529330824 420763588 /nfs/dbraw/zinc/76/35/88/420763588.db2.gz RNOXRFRNIKHLIH-UHFFFAOYSA-N 2 0 338.456 -0.662 20 0 EBADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529391026 420764516 /nfs/dbraw/zinc/76/45/16/420764516.db2.gz XBLWSLRJAQFSTG-RBSFLKMASA-N 2 0 326.441 -0.097 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000529380616 420765072 /nfs/dbraw/zinc/76/50/72/420765072.db2.gz PDRKUSMSIPCOSJ-OAHLLOKOSA-N 2 0 326.441 -0.271 20 0 EBADRP O[C@@H]1C[C@H]2CN(C/C=C/CN3CC[N@@H+]4C[C@H](O)C[C@H]4C3)CC[NH+]2C1 ZINC000653829591 420707030 /nfs/dbraw/zinc/70/70/30/420707030.db2.gz MUEWXMHVFSQYEQ-FARXYOCPSA-N 2 0 336.480 -0.956 20 0 EBADRP CC[N@H+](CCO)CCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000187384239 420707742 /nfs/dbraw/zinc/70/77/42/420707742.db2.gz UQFWSBHBZCVKAV-UHFFFAOYSA-N 2 0 329.489 -0.374 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000646858636 420713606 /nfs/dbraw/zinc/71/36/06/420713606.db2.gz ZHSVYIZFXTZFPK-LBPRGKRZSA-N 2 0 327.429 -0.684 20 0 EBADRP COC(=O)[C@@H]1CC12CC[NH+]([C@@H]1CC(=O)N(CC[NH+](C)C)C1=O)CC2 ZINC000522239282 420720879 /nfs/dbraw/zinc/72/08/79/420720879.db2.gz XVDBPUJNLYVAAC-QWHCGFSZSA-N 2 0 337.420 -0.049 20 0 EBADRP CC[NH+]1CCN(CCC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)CC1 ZINC000649074366 420785690 /nfs/dbraw/zinc/78/56/90/420785690.db2.gz GZRXMDXXPOAALE-OAHLLOKOSA-N 2 0 339.484 -0.408 20 0 EBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000649313289 420798633 /nfs/dbraw/zinc/79/86/33/420798633.db2.gz YPVLJSVEAILJOE-RYUDHWBXSA-N 2 0 332.395 -0.065 20 0 EBADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1C[NH2+]CCC1(F)F ZINC000649335469 420801994 /nfs/dbraw/zinc/80/19/94/420801994.db2.gz DZWHIXPFOZGQRY-KGLIPLIRSA-N 2 0 346.422 -0.246 20 0 EBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000649350681 420804591 /nfs/dbraw/zinc/80/45/91/420804591.db2.gz YJTPRUZEUGULAP-LSDHHAIUSA-N 2 0 349.483 -0.214 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000658450669 420857988 /nfs/dbraw/zinc/85/79/88/420857988.db2.gz OJQMMLZYHCVOSZ-OAHLLOKOSA-N 2 0 340.468 -0.546 20 0 EBADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000655956099 420860510 /nfs/dbraw/zinc/86/05/10/420860510.db2.gz KZCAZGJQKWXUSH-LSDHHAIUSA-N 2 0 332.404 -0.330 20 0 EBADRP O=C(Nc1cccc2c1CC[NH2+]C2)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655956396 420861330 /nfs/dbraw/zinc/86/13/30/420861330.db2.gz YNMHNJPJHGNDCQ-UONOGXRCSA-N 2 0 344.415 -0.452 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656020332 420866573 /nfs/dbraw/zinc/86/65/73/420866573.db2.gz QCRLUCOBXVXKKV-XQLPTFJDSA-N 2 0 340.468 -0.141 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656020295 420866727 /nfs/dbraw/zinc/86/67/27/420866727.db2.gz POMCDUJJULZSMH-KBXIAJHMSA-N 2 0 340.468 -0.284 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656040625 420868536 /nfs/dbraw/zinc/86/85/36/420868536.db2.gz MXEYAXHMGNMPSK-MELADBBJSA-N 2 0 340.468 -0.202 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CCCO1 ZINC000656027160 420868617 /nfs/dbraw/zinc/86/86/17/420868617.db2.gz BOMJNGNCUSMUFW-KFWWJZLASA-N 2 0 338.452 -0.304 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656039571 420869441 /nfs/dbraw/zinc/86/94/41/420869441.db2.gz DNRPICMYLDZXTA-MQYQWHSLSA-N 2 0 326.441 -0.450 20 0 EBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000656104515 420881667 /nfs/dbraw/zinc/88/16/67/420881667.db2.gz PTOZZVAMKXMIMJ-AWEZNQCLSA-N 2 0 340.468 -0.105 20 0 EBADRP CN(CC1C[NH+](C)C1)C(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000658522220 420958734 /nfs/dbraw/zinc/95/87/34/420958734.db2.gz NBTQUPGYLVBVCE-OAHLLOKOSA-N 2 0 340.468 -0.424 20 0 EBADRP CN1CCN(C(=O)NC[C@H]2CC(=O)N(C(C)(C)C)C2)[C@@H](C[NH3+])C1 ZINC000659607793 421005187 /nfs/dbraw/zinc/00/51/87/421005187.db2.gz FGKAJNXUCBNJER-OLZOCXBDSA-N 2 0 325.457 -0.082 20 0 EBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@H](C)C1 ZINC000659628985 421007893 /nfs/dbraw/zinc/00/78/93/421007893.db2.gz BKYBIQXUNSQXRK-MNOVXSKESA-N 2 0 338.412 -0.763 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NCC2([NH3+])CCCC2)CCCO1 ZINC000659676824 421012820 /nfs/dbraw/zinc/01/28/20/421012820.db2.gz JOHXZIIVNHLZMO-AWEZNQCLSA-N 2 0 340.468 -0.009 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CC(C)(C)[NH3+])CCCO1 ZINC000659676164 421013701 /nfs/dbraw/zinc/01/37/01/421013701.db2.gz FNQBHSYNIPIVOQ-ZDUSSCGKSA-N 2 0 328.457 -0.201 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000659681119 421013725 /nfs/dbraw/zinc/01/37/25/421013725.db2.gz WTDNUVDXITXEHW-CHWSQXEVSA-N 2 0 330.404 -0.889 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000659684660 421014401 /nfs/dbraw/zinc/01/44/01/421014401.db2.gz KVXRNZUWYHXEPN-CYBMUJFWSA-N 2 0 328.457 -0.284 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000659684661 421014631 /nfs/dbraw/zinc/01/46/31/421014631.db2.gz KVXRNZUWYHXEPN-ZDUSSCGKSA-N 2 0 328.457 -0.284 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659683429 421015527 /nfs/dbraw/zinc/01/55/27/421015527.db2.gz YIRCEKHXIXQGPZ-CYBMUJFWSA-N 2 0 339.484 -0.533 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000659700778 421017450 /nfs/dbraw/zinc/01/74/50/421017450.db2.gz UVJZOWRLPKHMRL-ZIAGYGMSSA-N 2 0 344.431 -0.499 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC[NH2+]1 ZINC000659725100 421023522 /nfs/dbraw/zinc/02/35/22/421023522.db2.gz ZWKCIYRKYNMMKG-RBSFLKMASA-N 2 0 340.468 -0.188 20 0 EBADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659730501 421025045 /nfs/dbraw/zinc/02/50/45/421025045.db2.gz XLJMCSWKCKMYRE-UKRRQHHQSA-N 2 0 338.452 -0.386 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CCO1 ZINC000659741263 421026057 /nfs/dbraw/zinc/02/60/57/421026057.db2.gz SOPDLZRYQHTBLQ-UUCFBXCCSA-N 2 0 338.452 -0.576 20 0 EBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659739375 421026414 /nfs/dbraw/zinc/02/64/14/421026414.db2.gz RVDISRUAQMVCEO-LSDHHAIUSA-N 2 0 338.452 -0.434 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000659754712 421029004 /nfs/dbraw/zinc/02/90/04/421029004.db2.gz GXQHDVUYMPSXCR-CABCVRRESA-N 2 0 339.484 -0.661 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000659754715 421030106 /nfs/dbraw/zinc/03/01/06/421030106.db2.gz GXQHDVUYMPSXCR-LSDHHAIUSA-N 2 0 339.484 -0.661 20 0 EBADRP CN(CCC[NH+](C)C)CCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000662630416 421093801 /nfs/dbraw/zinc/09/38/01/421093801.db2.gz DQGDAYMREXJVLL-AWEZNQCLSA-N 2 0 337.472 -0.184 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000662660038 421095380 /nfs/dbraw/zinc/09/53/80/421095380.db2.gz SCTZQKOQDJKPKF-LBPRGKRZSA-N 2 0 336.440 -0.421 20 0 EBADRP O=C(N1CCC[C@H](N2CCNCC2=O)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662766646 421098298 /nfs/dbraw/zinc/09/82/98/421098298.db2.gz LHPXSOLTYSGAQD-SMDDNHRTSA-N 2 0 348.369 -0.049 20 0 EBADRP C[NH+]1CCN(c2ncccc2CNC(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662759201 421099764 /nfs/dbraw/zinc/09/97/64/421099764.db2.gz UHDXNLPPMNSFMP-GJZGRUSLSA-N 2 0 333.436 -0.187 20 0 EBADRP O=C(N1CCC[C@@H](N2CCNCC2=O)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662766641 421100311 /nfs/dbraw/zinc/10/03/11/421100311.db2.gz LHPXSOLTYSGAQD-BXUZGUMPSA-N 2 0 348.369 -0.049 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662907957 421107824 /nfs/dbraw/zinc/10/78/24/421107824.db2.gz RJYWYRCUPUHTSM-HUUCEWRRSA-N 2 0 347.467 -0.288 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC[C@H]1F ZINC000662930222 421110595 /nfs/dbraw/zinc/11/05/95/421110595.db2.gz MXEHQLDSHDMQGA-MGPQQGTHSA-N 2 0 326.416 -0.029 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000662925898 421111064 /nfs/dbraw/zinc/11/10/64/421111064.db2.gz DZNXUFUHLOAZPG-UHFFFAOYSA-N 3 0 327.473 -0.722 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000662939100 421112315 /nfs/dbraw/zinc/11/23/15/421112315.db2.gz SUWZYSYBIQQGHC-UHFFFAOYSA-N 2 0 349.435 -0.066 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CCO1 ZINC000662948437 421116532 /nfs/dbraw/zinc/11/65/32/421116532.db2.gz KDWFAKUQQMKULB-KGLIPLIRSA-N 2 0 326.441 -0.495 20 0 EBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662950944 421116573 /nfs/dbraw/zinc/11/65/73/421116573.db2.gz PUAJVQQOKJTAGS-KFWWJZLASA-N 2 0 340.468 -0.249 20 0 EBADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662950946 421116646 /nfs/dbraw/zinc/11/66/46/421116646.db2.gz PUAJVQQOKJTAGS-RBSFLKMASA-N 2 0 340.468 -0.249 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CCO1 ZINC000662977341 421121321 /nfs/dbraw/zinc/12/13/21/421121321.db2.gz JCJALZNEOOOVEJ-UUCFBXCCSA-N 2 0 338.452 -0.495 20 0 EBADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000662992131 421121909 /nfs/dbraw/zinc/12/19/09/421121909.db2.gz AMVGFNRMAVBTFB-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663014912 421123372 /nfs/dbraw/zinc/12/33/72/421123372.db2.gz POAJFVCKUZLMQH-UKRRQHHQSA-N 2 0 348.451 -0.486 20 0 EBADRP CN(C)C(=O)N(C)[C@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000663500225 421132159 /nfs/dbraw/zinc/13/21/59/421132159.db2.gz JBNQXFCOCBVRFB-KBPBESRZSA-N 2 0 325.457 -0.129 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000664130341 421149429 /nfs/dbraw/zinc/14/94/29/421149429.db2.gz SXGSESXDYQDGJA-ZDUSSCGKSA-N 2 0 325.457 -0.116 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000448484718 421192080 /nfs/dbraw/zinc/19/20/80/421192080.db2.gz FVIBDVMKGTXEJX-UONOGXRCSA-N 2 0 348.451 0.126 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)n1 ZINC000358859293 421192089 /nfs/dbraw/zinc/19/20/89/421192089.db2.gz WNXIQULAXVDZSD-CYBMUJFWSA-N 2 0 336.440 -0.207 20 0 EBADRP CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000448483089 421219924 /nfs/dbraw/zinc/21/99/24/421219924.db2.gz ZZGJWHQHTKVRIC-UHFFFAOYSA-N 2 0 338.456 0.230 20 0 EBADRP CC(C)n1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000582097584 421224624 /nfs/dbraw/zinc/22/46/24/421224624.db2.gz BWGQIYSYTNLLCW-UHFFFAOYSA-N 2 0 338.456 0.354 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)C[C@@H]21 ZINC000453913874 421205431 /nfs/dbraw/zinc/20/54/31/421205431.db2.gz HAZPXQIMMXVRPU-OCCSQVGLSA-N 2 0 340.387 0.368 20 0 EBADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000415627572 421266589 /nfs/dbraw/zinc/26/65/89/421266589.db2.gz BRJFBAIKNXSXKL-BETUJISGSA-N 2 0 340.387 0.559 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H]2C(=O)NCC[C@H]2C)C1 ZINC000193618001 264599886 /nfs/dbraw/zinc/59/98/86/264599886.db2.gz XGXHYMDPJGOQKE-IIAWOOMASA-N 2 0 340.468 -0.426 20 0 EBADRP COC[C@]1(CNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CCC[NH2+]1 ZINC000418633688 264831714 /nfs/dbraw/zinc/83/17/14/264831714.db2.gz IMZJRTNGBLFWJD-GDBMZVCRSA-N 2 0 328.457 -0.099 20 0 EBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419026179 264845474 /nfs/dbraw/zinc/84/54/74/264845474.db2.gz MWORHTXDABEDKU-RBSFLKMASA-N 2 0 340.468 -0.282 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000423267197 264992978 /nfs/dbraw/zinc/99/29/78/264992978.db2.gz SWZAQJVZEQKCKB-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N2CC[NH2+]CC2)CCN1C1CC[NH+](C)CC1 ZINC000423372395 265001723 /nfs/dbraw/zinc/00/17/23/265001723.db2.gz GFGKGBVSHIHZRI-AWEZNQCLSA-N 2 0 337.468 -0.955 20 0 EBADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000423392602 265002718 /nfs/dbraw/zinc/00/27/18/265002718.db2.gz XTQZAJPEILBTGS-UHFFFAOYSA-N 2 0 349.435 -0.193 20 0 EBADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)C(C)C ZINC000423411146 265002791 /nfs/dbraw/zinc/00/27/91/265002791.db2.gz FFZYJOINYLYKHA-AWEZNQCLSA-N 2 0 328.457 -0.250 20 0 EBADRP C[C@H]1CC[NH2+][C@@H](C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000423435428 265004520 /nfs/dbraw/zinc/00/45/20/265004520.db2.gz YUMJZNNOFLNNDI-GXTWGEPZSA-N 2 0 336.440 -0.113 20 0 EBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)N(C)CC[NH3+])CC2)CC1 ZINC000423501208 265009165 /nfs/dbraw/zinc/00/91/65/265009165.db2.gz BAHPWULGXQOYPV-UHFFFAOYSA-N 2 0 339.484 -0.580 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000423614803 265019822 /nfs/dbraw/zinc/01/98/22/265019822.db2.gz XOGZZXVSONIMKY-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000423633575 265024081 /nfs/dbraw/zinc/02/40/81/265024081.db2.gz PHWQJTKHXIFKOF-UONOGXRCSA-N 2 0 340.468 -0.236 20 0 EBADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)CC1 ZINC000423684600 265031543 /nfs/dbraw/zinc/03/15/43/265031543.db2.gz UWWMGVJFEOXTPI-HZSPNIEDSA-N 2 0 340.468 -0.514 20 0 EBADRP O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000424155087 265050743 /nfs/dbraw/zinc/05/07/43/265050743.db2.gz NFHONHCFPQOJAT-LSDHHAIUSA-N 2 0 348.451 -0.003 20 0 EBADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000424458334 265061963 /nfs/dbraw/zinc/06/19/63/265061963.db2.gz TVOLWXGDUVWZGH-HNNXBMFYSA-N 2 0 333.436 -0.246 20 0 EBADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000424459359 265062618 /nfs/dbraw/zinc/06/26/18/265062618.db2.gz GCDACYKRMWXHIR-HZPDHXFCSA-N 2 0 341.500 -0.054 20 0 EBADRP CC(C)[NH+]1CCC(NC(=O)CN(C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000430604089 265150770 /nfs/dbraw/zinc/15/07/70/265150770.db2.gz LWXYIJGHYMKVQY-UHFFFAOYSA-N 2 0 339.484 -0.661 20 0 EBADRP CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000430614064 265150783 /nfs/dbraw/zinc/15/07/83/265150783.db2.gz XQYAJSYKAMNQTI-LBPRGKRZSA-N 2 0 339.440 -0.506 20 0 EBADRP CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000430647886 265152163 /nfs/dbraw/zinc/15/21/63/265152163.db2.gz QQVFGKXFNBXQIT-HUUCEWRRSA-N 2 0 339.484 -0.674 20 0 EBADRP O=C(COC1C[NH2+]C1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000431024656 265158354 /nfs/dbraw/zinc/15/83/54/265158354.db2.gz VZFPBFLLJSDRMB-UHFFFAOYSA-N 3 0 333.436 -0.302 20 0 EBADRP Cn1cc(S(=O)(=O)NCC[NH+]2CCC3(CC[NH2+]C3)CC2)cn1 ZINC000431028962 265158536 /nfs/dbraw/zinc/15/85/36/265158536.db2.gz WJQYLSMLLSVIQJ-UHFFFAOYSA-N 2 0 327.454 -0.226 20 0 EBADRP CC1(C)NC(=O)N(CC[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C1=O ZINC000436060163 265237179 /nfs/dbraw/zinc/23/71/79/265237179.db2.gz CYXICHWPGBVHAF-GFCCVEGCSA-N 2 0 339.440 -0.364 20 0 EBADRP C[NH+](C)C[C@](C)(O)CNc1cncc(NC[C@@](C)(O)C[NH+](C)C)n1 ZINC000439165082 265264760 /nfs/dbraw/zinc/26/47/60/265264760.db2.gz CIHBZXKGZMEXDO-HZPDHXFCSA-N 2 0 340.472 -0.074 20 0 EBADRP CC[NH+](CCOCC[N@@H+](CC)[C@@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000440940963 265298100 /nfs/dbraw/zinc/29/81/00/265298100.db2.gz PNDQCXHEEBJHDI-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP CC1([NH+]2CCOCC2)CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000529337842 265702821 /nfs/dbraw/zinc/70/28/21/265702821.db2.gz AHCUXLFJXUCYNU-CQSZACIVSA-N 2 0 326.441 -0.129 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C[C@@H](C)O1 ZINC000420144642 272821223 /nfs/dbraw/zinc/82/12/23/272821223.db2.gz NLUMBWKJHVVBDO-GBJTYRQASA-N 2 0 340.468 -0.284 20 0 EBADRP C[C@@H]1CC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1C[NH3+] ZINC000420402252 272826844 /nfs/dbraw/zinc/82/68/44/272826844.db2.gz JXVQWJQTEOFMHF-NEPJUHHUSA-N 2 0 334.424 -0.650 20 0 EBADRP COC[C@@H]([NH3+])C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000262354667 274044022 /nfs/dbraw/zinc/04/40/22/274044022.db2.gz UVPRVBFTCJWIDD-HZPDHXFCSA-N 2 0 348.447 -0.026 20 0 EBADRP CC(C)(O)C[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000366042472 277316017 /nfs/dbraw/zinc/31/60/17/277316017.db2.gz MRNYZULCATWBQE-CABCVRRESA-N 2 0 340.468 -0.052 20 0 EBADRP C[C@@H]1[C@H](NC(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)CCC[N@@H+]1C ZINC000347760807 289048998 /nfs/dbraw/zinc/04/89/98/289048998.db2.gz LAUNSKVNTIEFCY-HZSPNIEDSA-N 2 0 326.441 -0.626 20 0 EBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)CC1=O ZINC000329196532 289159036 /nfs/dbraw/zinc/15/90/36/289159036.db2.gz TUPBITXLAYXVRC-KFWWJZLASA-N 2 0 338.452 -0.672 20 0 EBADRP C[C@H]1CN(C(=O)NCCN2CC[NH2+]CC2)CC[N@@H+]1CC(C)(C)O ZINC000333684923 300144520 /nfs/dbraw/zinc/14/45/20/300144520.db2.gz PEEVGAZADAEWJZ-AWEZNQCLSA-N 2 0 327.473 -0.622 20 0 EBADRP C[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@H+](C)C1CC1 ZINC000120169989 545650332 /nfs/dbraw/zinc/65/03/32/545650332.db2.gz WRKIPWJAWYSQCI-LBPRGKRZSA-N 2 0 336.440 -0.018 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000668657839 545728201 /nfs/dbraw/zinc/72/82/01/545728201.db2.gz YXBIGEWZOAICFQ-OAHLLOKOSA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668672625 545732979 /nfs/dbraw/zinc/73/29/79/545732979.db2.gz VXQHCCIVKLVCDI-HIFRSBDPSA-N 2 0 340.468 -0.500 20 0 EBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CCC[NH+]2CCOC)C1 ZINC000668786929 545760395 /nfs/dbraw/zinc/76/03/95/545760395.db2.gz KIWAFGITZQWFBM-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CCN(C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C)[C@H]1CC[N@H+](CC)C1 ZINC000668891704 545783504 /nfs/dbraw/zinc/78/35/04/545783504.db2.gz CHNPCPXOSYCLLT-LSDHHAIUSA-N 2 0 339.484 -0.709 20 0 EBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000669227623 545827501 /nfs/dbraw/zinc/82/75/01/545827501.db2.gz DOUBIAWQNBTPFZ-OAHLLOKOSA-N 2 0 342.484 -0.083 20 0 EBADRP C[C@H]1C[C@H](NC(=O)NCCC(=O)N2CCN(C)CC2)CC[N@@H+]1C ZINC000332889869 545849183 /nfs/dbraw/zinc/84/91/83/545849183.db2.gz DDVBZJWSUYZPCD-UONOGXRCSA-N 2 0 325.457 -0.068 20 0 EBADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000669486508 545879234 /nfs/dbraw/zinc/87/92/34/545879234.db2.gz SHFBMXHUIWULJL-ARFHVFGLSA-N 2 0 339.484 -0.215 20 0 EBADRP C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)[C@@H]1CN(C)CCO1 ZINC000672961951 545912985 /nfs/dbraw/zinc/91/29/85/545912985.db2.gz WAPSWYOULDNYSZ-XQLPTFJDSA-N 2 0 328.457 -0.198 20 0 EBADRP CN1CCN(C(=O)CC[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000669931704 545955133 /nfs/dbraw/zinc/95/51/33/545955133.db2.gz UGMOBSMHYBLVIT-QGZVFWFLSA-N 2 0 337.512 -0.138 20 0 EBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000672358302 545999070 /nfs/dbraw/zinc/99/90/70/545999070.db2.gz SYUIAZIFJPDBEB-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)C1 ZINC000672358538 546094615 /nfs/dbraw/zinc/09/46/15/546094615.db2.gz YMLFBNSNHHAURC-HUUCEWRRSA-N 2 0 340.468 -0.188 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640453 546116276 /nfs/dbraw/zinc/11/62/76/546116276.db2.gz IZZRQMCGALZSAD-AWEZNQCLSA-N 2 0 339.484 -0.709 20 0 EBADRP CNS(=O)(=O)CCCN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678080023 546247250 /nfs/dbraw/zinc/24/72/50/546247250.db2.gz LMNWIRXPSGXXQL-CYBMUJFWSA-N 2 0 332.470 -0.660 20 0 EBADRP C(=C\C[N@@H+]1CCN2CCOC[C@@H]2C1)\C[NH+]1CCN2CCOC[C@@H]2C1 ZINC000680431087 546286769 /nfs/dbraw/zinc/28/67/69/546286769.db2.gz POWBFSMQTDWYCK-QHNPVBQMSA-N 2 0 336.480 -0.425 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000682300339 546328110 /nfs/dbraw/zinc/32/81/10/546328110.db2.gz OIUXUFBVXNCXAD-UHFFFAOYSA-N 2 0 346.391 -0.100 20 0 EBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000891563188 582558454 /nfs/dbraw/zinc/55/84/54/582558454.db2.gz AQCNZKBVUCLMER-RBSFLKMASA-N 2 0 325.457 -0.476 20 0 EBADRP [NH3+]C[C@H]1CCCN1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000891567907 582558636 /nfs/dbraw/zinc/55/86/36/582558636.db2.gz XVZYIDZEMLUBDK-LSDHHAIUSA-N 2 0 325.457 -0.474 20 0 EBADRP C[NH2+]CCCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000891961979 582564023 /nfs/dbraw/zinc/56/40/23/582564023.db2.gz BYLHOBUGNBUGOW-OAHLLOKOSA-N 2 0 327.473 -0.308 20 0 EBADRP [NH3+]C[C@H](NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)C1CC1 ZINC000892029816 582566234 /nfs/dbraw/zinc/56/62/34/582566234.db2.gz WVTMCWZTRUKWBH-CVEARBPZSA-N 2 0 339.484 -0.181 20 0 EBADRP C[C@@H](C[NH3+])CNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892045164 582566625 /nfs/dbraw/zinc/56/66/25/582566625.db2.gz QVYZMPWUHBHVFR-LSDHHAIUSA-N 2 0 327.473 -0.323 20 0 EBADRP CC[C@H]([NH3+])CNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892148229 582567827 /nfs/dbraw/zinc/56/78/27/582567827.db2.gz WERMULDCKAKWLZ-GJZGRUSLSA-N 2 0 327.473 -0.181 20 0 EBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000892170196 582568567 /nfs/dbraw/zinc/56/85/67/582568567.db2.gz PZZZNUDRYASTNU-HTOAHKCRSA-N 2 0 337.424 -0.310 20 0 EBADRP CN1CCN(C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC[N@H+](C)CC1 ZINC000892819887 582588199 /nfs/dbraw/zinc/58/81/99/582588199.db2.gz TUGFXBKAIPMUGO-HZPDHXFCSA-N 2 0 339.484 -0.262 20 0 EBADRP C[C@@H](CNC(=O)NCC[NH+]1CCC(O)CC1)C[NH+]1CCN(C)CC1 ZINC000893236648 582594719 /nfs/dbraw/zinc/59/47/19/582594719.db2.gz JALYCKDLJYHDQI-HNNXBMFYSA-N 2 0 341.500 -0.374 20 0 EBADRP C[C@@H](NC(=O)N1CCN(C)CC[N@H+](C)CC1)[C@@H]1CN(C)CCO1 ZINC000893764339 582609542 /nfs/dbraw/zinc/60/95/42/582609542.db2.gz NLMYMTVLHWJRLT-CABCVRRESA-N 2 0 327.473 -0.406 20 0 EBADRP CN(CC1C[NH+](C)C1)c1cc(C(N)=O)nc(N(C)CC2C[NH+](C)C2)n1 ZINC000894540008 582632236 /nfs/dbraw/zinc/63/22/36/582632236.db2.gz BKUMBUSXEAWNDN-UHFFFAOYSA-N 2 0 347.467 -0.429 20 0 EBADRP C[NH+]1CCC(C[NH2+]C2CC(S(C)(=O)=O)C2)(N2CCOCC2)CC1 ZINC000894893555 582636496 /nfs/dbraw/zinc/63/64/96/582636496.db2.gz FFKQRGUQAPILTH-UHFFFAOYSA-N 2 0 345.509 -0.052 20 0 EBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000898088820 582719574 /nfs/dbraw/zinc/71/95/74/582719574.db2.gz UCVYUQKMOQCKSZ-CYBMUJFWSA-N 2 0 338.452 -0.324 20 0 EBADRP O=C(NCCCCCN1CC[NH2+]CC1)NCCN1CCOCC1 ZINC000899240316 582746953 /nfs/dbraw/zinc/74/69/53/582746953.db2.gz LGAQKMQCMQAQPG-UHFFFAOYSA-N 2 0 327.473 -0.307 20 0 EBADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000900065299 582760799 /nfs/dbraw/zinc/76/07/99/582760799.db2.gz FGASDRQMBVNVLX-QAPCUYQASA-N 2 0 347.463 -0.095 20 0 EBADRP C[C@@H](CNC(=O)c1cnc(C(=O)NC[C@H](C)[NH+](C)C)cn1)[NH+](C)C ZINC000900164295 582763208 /nfs/dbraw/zinc/76/32/08/582763208.db2.gz YWVZOPBJDSZXKB-RYUDHWBXSA-N 2 0 336.440 -0.164 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1OCCN(C)C1=O ZINC000900481125 582770420 /nfs/dbraw/zinc/77/04/20/582770420.db2.gz NLLABEVVGXHQQC-HUUCEWRRSA-N 2 0 340.468 -0.282 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1OCCN(C)C1=O ZINC000900481126 582770427 /nfs/dbraw/zinc/77/04/27/582770427.db2.gz NLLABEVVGXHQQC-LSDHHAIUSA-N 2 0 340.468 -0.282 20 0 EBADRP C[N@@H+]1CCC[C@](O)(CC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000900603194 582774113 /nfs/dbraw/zinc/77/41/13/582774113.db2.gz WBGQOEJYGCOPBT-UXLLHSPISA-N 2 0 325.453 -0.109 20 0 EBADRP CN1CC[NH+](CC2CCN(C(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)CC2)CC1 ZINC000900646137 582777780 /nfs/dbraw/zinc/77/77/80/582777780.db2.gz WBYZJZUKHACRDB-SJLPKXTDSA-N 2 0 338.496 -0.073 20 0 EBADRP CN1CCO[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1=O ZINC000900682846 582778258 /nfs/dbraw/zinc/77/82/58/582778258.db2.gz JHVSAMSNRZYLIM-AWEZNQCLSA-N 2 0 328.457 -0.424 20 0 EBADRP C[NH+]1C[C@H]2CN(C(=O)C(=O)N3C[C@H]4C[N@@H+](C)C[C@@]4(C)C3)C[C@@]2(C)C1 ZINC000903013616 582807480 /nfs/dbraw/zinc/80/74/80/582807480.db2.gz KTYCYGACKOZCSP-PURYLZLUSA-N 2 0 334.464 -0.193 20 0 EBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@@H](C)C(=O)NC[C@@H]1CCCO1)C2 ZINC000903493157 582809629 /nfs/dbraw/zinc/80/96/29/582809629.db2.gz VTGGPDJFIRSTHL-LHLGERLTSA-N 2 0 339.436 -0.118 20 0 EBADRP COC(=O)CCNC(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903507169 582810085 /nfs/dbraw/zinc/81/00/85/582810085.db2.gz PLJPVYWUACEJFH-GASCZTMLSA-N 2 0 338.452 -0.434 20 0 EBADRP O=S(=O)(CC1CC[NH2+]CC1)NCCCCCN1CC[NH2+]CC1 ZINC000903519385 582810167 /nfs/dbraw/zinc/81/01/67/582810167.db2.gz CZSZFUBITQWYHB-UHFFFAOYSA-N 2 0 332.514 -0.019 20 0 EBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000903744161 582816708 /nfs/dbraw/zinc/81/67/08/582816708.db2.gz YLRNDNPTNVXXBO-AWEZNQCLSA-N 2 0 340.468 -0.513 20 0 EBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903768121 582818053 /nfs/dbraw/zinc/81/80/53/582818053.db2.gz SBCPRTFCIXEQDE-HBNTYKKESA-N 2 0 336.358 -0.113 20 0 EBADRP CN1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)CC1 ZINC000903778820 582820197 /nfs/dbraw/zinc/82/01/97/582820197.db2.gz SUYQZSILAPPTLH-IYBDPMFKSA-N 3 0 349.479 -0.812 20 0 EBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCN1CCCS1(=O)=O)C2 ZINC000903785494 582820795 /nfs/dbraw/zinc/82/07/95/582820795.db2.gz ZDCPJFRPICOOBN-SCRDCRAPSA-N 2 0 331.438 -0.766 20 0 EBADRP C[NH2+]CCN(C(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)C(C)C ZINC000903811189 582821530 /nfs/dbraw/zinc/82/15/30/582821530.db2.gz IBUIBFVDFPNXQO-UHFFFAOYSA-N 2 0 342.484 -0.252 20 0 EBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C2 ZINC000903977297 582823979 /nfs/dbraw/zinc/82/39/79/582823979.db2.gz OBXMJIRIXDDDFW-LOUJCGABSA-N 3 0 348.451 -0.085 20 0 EBADRP COCC[N@H+](C)CCC[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000736987843 582979762 /nfs/dbraw/zinc/97/97/62/582979762.db2.gz GTCYFDKEYWBSFE-GFCCVEGCSA-N 2 0 349.443 -0.337 20 0 EBADRP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000838301446 583053656 /nfs/dbraw/zinc/05/36/56/583053656.db2.gz DLHWXGXZDBYNKT-BZUAXINKSA-N 2 0 340.468 -0.004 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000741087283 583069229 /nfs/dbraw/zinc/06/92/29/583069229.db2.gz WEERVVGNSBUGOG-HOTGVXAUSA-N 3 0 341.500 -0.016 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=S)NCC[NH+](C)C)cn1 ZINC000741499871 583073740 /nfs/dbraw/zinc/07/37/40/583073740.db2.gz DFHPBRMHEHPZLH-UHFFFAOYSA-N 2 0 341.485 -0.591 20 0 EBADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCS(N)(=O)=O)CC1 ZINC000741806289 583075809 /nfs/dbraw/zinc/07/58/09/583075809.db2.gz MOWBYEYETVLYKM-UHFFFAOYSA-N 2 0 348.513 -0.309 20 0 EBADRP O=C(C[NH+]1CC[C@H]2C[C@H]21)N1CCN(C(=O)C[N@@H+]2CC[C@@H]3C[C@@H]32)CC1 ZINC000761087412 583236816 /nfs/dbraw/zinc/23/68/16/583236816.db2.gz PDCXOMASHYNZKY-SYMSYNOKSA-N 2 0 332.448 -0.154 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000793701096 583568627 /nfs/dbraw/zinc/56/86/27/583568627.db2.gz OHCQJEOABGOCJW-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000804056443 583639442 /nfs/dbraw/zinc/63/94/42/583639442.db2.gz KSVDGLHPAOTMEV-QLFBSQMISA-N 2 0 338.452 -0.482 20 0 EBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000804057290 583639912 /nfs/dbraw/zinc/63/99/12/583639912.db2.gz WCCZFAZMLQENKO-CABCVRRESA-N 2 0 338.452 -0.482 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804061237 583641204 /nfs/dbraw/zinc/64/12/04/583641204.db2.gz SXHRPDFUZIRINZ-QLFBSQMISA-N 2 0 338.452 -0.434 20 0 EBADRP Cn1nccc1CCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000808017807 583665261 /nfs/dbraw/zinc/66/52/61/583665261.db2.gz BMXQNESAZPLFED-UHFFFAOYSA-N 2 0 338.456 -0.969 20 0 EBADRP C[NH+](C)CCN1CCN(C(=O)COC2CC[NH+](C)CC2)CC1=O ZINC000823864571 583838017 /nfs/dbraw/zinc/83/80/17/583838017.db2.gz NDKNQYIDTRDZTL-UHFFFAOYSA-N 2 0 326.441 -0.670 20 0 EBADRP CN(C(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1)C1C[NH2+]C1 ZINC000841242392 584052524 /nfs/dbraw/zinc/05/25/24/584052524.db2.gz HQRJYUDNKFNIAF-UHFFFAOYSA-N 2 0 331.420 -0.193 20 0 EBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000842165142 584058868 /nfs/dbraw/zinc/05/88/68/584058868.db2.gz TYSJAGSEQDVTGV-KFWWJZLASA-N 2 0 338.452 -0.434 20 0 EBADRP O=C(CO[C@H]1CCC[NH2+]C1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000843317978 584075609 /nfs/dbraw/zinc/07/56/09/584075609.db2.gz VDFISPFTCIPOLX-GJZGRUSLSA-N 2 0 338.452 -0.575 20 0 EBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1(n2cccn2)CC[NH2+]CC1 ZINC000844180300 584090271 /nfs/dbraw/zinc/09/02/71/584090271.db2.gz QVFTWVNYYUSFRS-GJZGRUSLSA-N 2 0 333.436 -0.059 20 0 EBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844184418 584090557 /nfs/dbraw/zinc/09/05/57/584090557.db2.gz MQKIZUKKIRDLJX-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCN1CCN(C(=S)NCC2CC[NH+](C)CC2)CC1=O ZINC000844569472 584095024 /nfs/dbraw/zinc/09/50/24/584095024.db2.gz MFPCPSVNITZEEU-UHFFFAOYSA-N 2 0 341.525 -0.092 20 0 EBADRP C[NH+](C)CCN1CCN(C(=S)NC2CC[NH+](C)CC2)CC1=O ZINC000844570233 584095078 /nfs/dbraw/zinc/09/50/78/584095078.db2.gz UFQZZQAKKWEXHS-UHFFFAOYSA-N 2 0 327.498 -0.339 20 0 EBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000845047561 584099017 /nfs/dbraw/zinc/09/90/17/584099017.db2.gz NJXRGMRVMPZHJQ-HIFRSBDPSA-N 2 0 337.468 -0.116 20 0 EBADRP [NH3+]CCc1ccc(CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000848614836 584159779 /nfs/dbraw/zinc/15/97/79/584159779.db2.gz YMZICJRHHSZHLW-JKSUJKDBSA-N 2 0 346.431 -0.919 20 0 EBADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000848935449 584164113 /nfs/dbraw/zinc/16/41/13/584164113.db2.gz NCTRCRWBDLMJRM-CBBWQLFWSA-N 2 0 338.452 -0.747 20 0 EBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000851684928 584198394 /nfs/dbraw/zinc/19/83/94/584198394.db2.gz NDSLLFPWVMUQKX-MGPQQGTHSA-N 2 0 326.441 -0.545 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)CCO1 ZINC000852921938 584221087 /nfs/dbraw/zinc/22/10/87/584221087.db2.gz OHHJPQIXFZWMPT-CABCVRRESA-N 2 0 340.468 -0.247 20 0 EBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]1C[N@@H+]3CCC[C@@H]3CO1)C2 ZINC000857102384 584274411 /nfs/dbraw/zinc/27/44/11/584274411.db2.gz QUXNXJKQNHUCKL-WVZRYYJFSA-N 2 0 336.436 -0.694 20 0 EBADRP CCC[NH2+]CCNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861641002 584332107 /nfs/dbraw/zinc/33/21/07/584332107.db2.gz HCAFEMYPCICNCV-KGLIPLIRSA-N 2 0 339.440 -0.047 20 0 EBADRP CC(C)[C@@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])N1CC[NH+](C)CC1 ZINC000861743417 584336649 /nfs/dbraw/zinc/33/66/49/584336649.db2.gz VWLLXTQWWPMEKX-ZIAGYGMSSA-N 2 0 327.473 -0.820 20 0 EBADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000861801551 584339443 /nfs/dbraw/zinc/33/94/43/584339443.db2.gz SBMCVTFAMQFZQG-MRXNPFEDSA-N 2 0 348.447 -0.189 20 0 EBADRP C[C@H](CN1CCOCC1)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863548001 584372717 /nfs/dbraw/zinc/37/27/17/584372717.db2.gz NBOKWKFAPYZQKQ-BMFZPTHFSA-N 2 0 338.452 -0.036 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000863751098 584376380 /nfs/dbraw/zinc/37/63/80/584376380.db2.gz FEMYMUHDGCRXKY-ZDUSSCGKSA-N 2 0 326.441 -0.637 20 0 EBADRP O=C1COC[C@]2(C[NH2+]Cc3ccnn3-c3cc[nH+]cc3)COCCN12 ZINC000865795033 584396174 /nfs/dbraw/zinc/39/61/74/584396174.db2.gz JYSNPTGWWNWRBC-KRWDZBQOSA-N 2 0 343.387 -0.015 20 0 EBADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000866774250 584406301 /nfs/dbraw/zinc/40/63/01/584406301.db2.gz JTHLQZFVGPQJBB-KBXIAJHMSA-N 2 0 347.481 -0.335 20 0 EBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000868414629 584428962 /nfs/dbraw/zinc/42/89/62/584428962.db2.gz HFBTZFDLFHZIKV-OAHLLOKOSA-N 2 0 340.468 -0.369 20 0 EBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000868414948 584428969 /nfs/dbraw/zinc/42/89/69/584428969.db2.gz SOUBJFKXBNLEOL-CQSZACIVSA-N 2 0 340.468 -0.105 20 0 EBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000871811703 584457513 /nfs/dbraw/zinc/45/75/13/584457513.db2.gz UGGUZLYXQYSXPS-CQSZACIVSA-N 2 0 346.497 -0.337 20 0 EBADRP C[C@]12C[N@H+](CCC(=O)N3CC[NH2+]CC3)C[C@@]1(C)CS(=O)(=O)C2 ZINC000872150181 584458602 /nfs/dbraw/zinc/45/86/02/584458602.db2.gz YTYMVEVNYJDZLW-GASCZTMLSA-N 2 0 329.466 -0.435 20 0 EBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CC[C@@H](C[NH+]3CCCC3)C1)C2 ZINC000872189949 584459016 /nfs/dbraw/zinc/45/90/16/584459016.db2.gz QJWSIRABIVWABS-RLFYNMQTSA-N 2 0 334.464 -0.001 20 0 EBADRP O=C(N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000872302255 584461484 /nfs/dbraw/zinc/46/14/84/584461484.db2.gz TYJYUOWEAZXSJP-MPZWGZMNSA-N 2 0 334.420 -0.088 20 0 EBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000872302515 584461550 /nfs/dbraw/zinc/46/15/50/584461550.db2.gz BXWVQPJWBDPIOL-CQUYNDQOSA-N 2 0 338.408 -0.853 20 0 EBADRP COC(=O)[C@H]1CC(=O)N(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000872636458 584464266 /nfs/dbraw/zinc/46/42/66/584464266.db2.gz PATPTJUIHSBNDT-RRFJBIMHSA-N 2 0 340.468 -0.363 20 0 EBADRP CN1C(=O)C(=O)N(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1=O ZINC000872637445 584464333 /nfs/dbraw/zinc/46/43/33/584464333.db2.gz IKFWLHQYRPPSIG-VXGBXAGGSA-N 2 0 325.413 -0.964 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)CC[C@@H]21 ZINC000872725099 584466427 /nfs/dbraw/zinc/46/64/27/584466427.db2.gz BPIBZEBTJJIPHZ-KGLIPLIRSA-N 2 0 335.452 -0.014 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cn1 ZINC000874172199 584479827 /nfs/dbraw/zinc/47/98/27/584479827.db2.gz IMTIZSSFNFCQBO-DZGCQCFKSA-N 2 0 348.451 -0.064 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)n1 ZINC000874171079 584479875 /nfs/dbraw/zinc/47/98/75/584479875.db2.gz BCXWHLQCDGOVRT-UONOGXRCSA-N 2 0 348.451 -0.064 20 0 EBADRP CC[NH+](CC)CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000874429574 584482435 /nfs/dbraw/zinc/48/24/35/584482435.db2.gz 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COC[C@]1(C(=O)NC2CC[NH+](CCOC(C)C)CC2)C[NH2+]CCO1 ZINC000876776545 584523551 /nfs/dbraw/zinc/52/35/51/584523551.db2.gz DRSVTJYKPYZCCQ-KRWDZBQOSA-N 2 0 343.468 -0.003 20 0 EBADRP COC[C@]1(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C[NH2+]CCO1 ZINC000876981000 584527779 /nfs/dbraw/zinc/52/77/79/584527779.db2.gz LJAMOSQGZNLORV-HOCLYGCPSA-N 2 0 329.441 -0.439 20 0 EBADRP O=C(N1CC[NH2+]CC1)N1CCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000876997091 584528140 /nfs/dbraw/zinc/52/81/40/584528140.db2.gz NBSCOVSMMMEUPC-PBHICJAKSA-N 2 0 335.452 -0.312 20 0 EBADRP [NH3+]Cc1cccc(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000876996368 584528196 /nfs/dbraw/zinc/52/81/96/584528196.db2.gz RNPNOMRMVKWHOS-UHFFFAOYSA-N 2 0 331.420 -0.072 20 0 EBADRP COC[C@]1(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC[NH2+]C1 ZINC000877144797 584529457 /nfs/dbraw/zinc/52/94/57/584529457.db2.gz WOUNQECXGVGBBC-INMHGKMJSA-N 3 0 326.485 -0.190 20 0 EBADRP COC[C@@]1(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C[NH2+]CCO1 ZINC000877144767 584529518 /nfs/dbraw/zinc/52/95/18/584529518.db2.gz VLSJAGVCCHYAGM-BFYDXBDKSA-N 3 0 342.484 -0.811 20 0 EBADRP COCCC1(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC[NH2+]CC1 ZINC000877267843 584531083 /nfs/dbraw/zinc/53/10/83/584531083.db2.gz HCVZTTZVZLNXMU-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[NH+]1CC[C@H]1CNC(=O)COCC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000882489337 584590797 /nfs/dbraw/zinc/59/07/97/584590797.db2.gz ATWHAQMMMNOXDP-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CCN1c1cc[nH+]cc1 ZINC000883640306 584603934 /nfs/dbraw/zinc/60/39/34/584603934.db2.gz LUECEFGWVJFGMR-UKRRQHHQSA-N 2 0 347.419 -0.695 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)C[C@H]1[NH3+] ZINC000883640742 584603999 /nfs/dbraw/zinc/60/39/99/584603999.db2.gz XQYODFVNCSOLKJ-UMVBOHGHSA-N 2 0 331.420 -0.076 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)c2ccnc(N3CC[NH2+]CC3)c2)C1 ZINC000884214020 584618815 /nfs/dbraw/zinc/61/88/15/584618815.db2.gz 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ZINC000884669594 584632539 /nfs/dbraw/zinc/63/25/39/584632539.db2.gz APYQNGUGXNQDQC-HUUCEWRRSA-N 2 0 339.484 -0.674 20 0 EBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000884677250 584633423 /nfs/dbraw/zinc/63/34/23/584633423.db2.gz MXHCRZVNDUKRGY-UHFFFAOYSA-N 2 0 339.484 -0.659 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CCN1c1cc[nH+]cc1 ZINC000884688282 584634396 /nfs/dbraw/zinc/63/43/96/584634396.db2.gz XXXYRNCAEIMHRG-KBPBESRZSA-N 2 0 331.420 -0.013 20 0 EBADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000884692610 584634752 /nfs/dbraw/zinc/63/47/52/584634752.db2.gz KRXQRMAMNIECOL-DZGCQCFKSA-N 2 0 330.432 -0.041 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884706328 584635020 /nfs/dbraw/zinc/63/50/20/584635020.db2.gz ZJQOIEVKUMYFEW-IGQOVBAYSA-N 2 0 338.452 -0.232 20 0 EBADRP CC1([NH+]2CCCC2)CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000884816227 584638920 /nfs/dbraw/zinc/63/89/20/584638920.db2.gz 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ZINC000904999129 650057971 /nfs/dbraw/zinc/05/79/71/650057971.db2.gz XOEQGZRXCZXKGP-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2COC)C1 ZINC000905022376 650060881 /nfs/dbraw/zinc/06/08/81/650060881.db2.gz QPHJESUMLHCJEO-UONOGXRCSA-N 2 0 326.441 -0.767 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000905024788 650061293 /nfs/dbraw/zinc/06/12/93/650061293.db2.gz XPGFGTQXMBNBCA-CYBMUJFWSA-N 2 0 328.457 -0.521 20 0 EBADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905110109 650061962 /nfs/dbraw/zinc/06/19/62/650061962.db2.gz HNHCORKYENQOMU-ZACQAIPSSA-N 2 0 329.485 -0.248 20 0 EBADRP CCOC(=O)[C@@H]1CCCN(CC(=O)N[C@H](CO)C[NH+]2CCCC2)C1 ZINC000908205617 650098623 /nfs/dbraw/zinc/09/86/23/650098623.db2.gz OLGGCRTWXQMNGR-CABCVRRESA-N 2 0 341.452 -0.166 20 0 EBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@H]([NH+]4CC=CC4)C3)C[C@]2(C)C1 ZINC000910908073 650139814 /nfs/dbraw/zinc/13/98/14/650139814.db2.gz YONHZDLSCPKZNZ-VKJFTORMSA-N 2 0 332.448 -0.131 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000910985086 650143494 /nfs/dbraw/zinc/14/34/94/650143494.db2.gz RKFASKXOWNMTDO-MGPQQGTHSA-N 2 0 326.441 -0.672 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CCCO1 ZINC000910984055 650143538 /nfs/dbraw/zinc/14/35/38/650143538.db2.gz KBYYDYKPBYRGKE-UONOGXRCSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000910983593 650143555 /nfs/dbraw/zinc/14/35/55/650143555.db2.gz IKIYJSPYUHTJKK-QLFBSQMISA-N 2 0 340.468 -0.343 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000911004121 650144678 /nfs/dbraw/zinc/14/46/78/650144678.db2.gz NBYRUOTXHISKOK-KBPBESRZSA-N 2 0 340.468 -0.343 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000911009506 650145160 /nfs/dbraw/zinc/14/51/60/650145160.db2.gz SBUMEVSXGMKBFM-MELADBBJSA-N 2 0 326.441 -0.578 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000911013933 650145588 /nfs/dbraw/zinc/14/55/88/650145588.db2.gz FPEHMVPWCIUHIF-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000911021962 650146347 /nfs/dbraw/zinc/14/63/47/650146347.db2.gz DXUBNRMISDZERD-CQSZACIVSA-N 2 0 326.441 -0.575 20 0 EBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911027016 650146492 /nfs/dbraw/zinc/14/64/92/650146492.db2.gz BGCMRWYJUUSFKC-CABCVRRESA-N 2 0 339.484 -0.756 20 0 EBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC[C@H]([NH3+])C3)C2)CC1 ZINC000911032600 650146775 /nfs/dbraw/zinc/14/67/75/650146775.db2.gz FRJBNEHVTNAZTI-KBPBESRZSA-N 2 0 337.468 -0.779 20 0 EBADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CC2)[C@@H](C)C1 ZINC000911033332 650146807 /nfs/dbraw/zinc/14/68/07/650146807.db2.gz HWBLKFYOUWFUSC-UONOGXRCSA-N 2 0 340.468 -0.153 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000911030972 650146858 /nfs/dbraw/zinc/14/68/58/650146858.db2.gz NKTUJLPRJHVHBQ-JJRVBVJISA-N 2 0 337.468 -0.922 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C[C@H]1C(F)(F)F ZINC000911073562 650149220 /nfs/dbraw/zinc/14/92/20/650149220.db2.gz UZKUDQTYDLQPNU-JMJZKYOTSA-N 2 0 334.342 -0.313 20 0 EBADRP C[C@H]1C[C@H](NC(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)C[N@@H+]1C1CC1 ZINC000911147290 650154280 /nfs/dbraw/zinc/15/42/80/650154280.db2.gz OZHFWLHMQNDDJT-STQMWFEESA-N 2 0 338.452 -0.306 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000911148279 650154442 /nfs/dbraw/zinc/15/44/42/650154442.db2.gz WEEDBZIKNUDNDY-GZBFAFLISA-N 2 0 338.452 -0.435 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911149189 650154867 /nfs/dbraw/zinc/15/48/67/650154867.db2.gz VBPCKZPXDXDJJY-JJRVBVJISA-N 2 0 336.436 -0.680 20 0 EBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000911161868 650155476 /nfs/dbraw/zinc/15/54/76/650155476.db2.gz OFRVUMZAYRHTAM-CQSZACIVSA-N 2 0 340.468 -0.057 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000911184020 650158025 /nfs/dbraw/zinc/15/80/25/650158025.db2.gz QGKUPIAVTIJEDK-HUUCEWRRSA-N 2 0 340.468 -0.423 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000911189204 650158358 /nfs/dbraw/zinc/15/83/58/650158358.db2.gz YJZMTRRFRGGSHC-STQMWFEESA-N 2 0 326.441 -0.591 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000911189249 650158464 /nfs/dbraw/zinc/15/84/64/650158464.db2.gz ZNLYXLAOYWMTCQ-KFWWJZLASA-N 2 0 340.468 -0.425 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000911195151 650158550 /nfs/dbraw/zinc/15/85/50/650158550.db2.gz OSWMQQKOHMDVSD-YMAMQOFZSA-N 2 0 338.452 -0.434 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911192505 650158564 /nfs/dbraw/zinc/15/85/64/650158564.db2.gz AZZIUDJXDMCAHY-TZMCWYRMSA-N 2 0 326.441 -0.672 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000911194557 650158593 /nfs/dbraw/zinc/15/85/93/650158593.db2.gz QHSRWOAUJSDWEB-JJRVBVJISA-N 2 0 338.452 -0.447 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000911206128 650159696 /nfs/dbraw/zinc/15/96/96/650159696.db2.gz PNVHUNVSZXGFBH-GXTWGEPZSA-N 2 0 326.441 -0.578 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000911214311 650159993 /nfs/dbraw/zinc/15/99/93/650159993.db2.gz BDSIOXDNMZAHEA-RRFJBIMHSA-N 2 0 338.452 -0.434 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000911214593 650160028 /nfs/dbraw/zinc/16/00/28/650160028.db2.gz IHPHQTHFOAQKAG-ZFWWWQNUSA-N 2 0 338.452 -0.576 20 0 EBADRP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000911298188 650167730 /nfs/dbraw/zinc/16/77/30/650167730.db2.gz SPBHAUWFWCNCMT-IPJQOSJUSA-N 2 0 338.452 -0.374 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000911258079 650163546 /nfs/dbraw/zinc/16/35/46/650163546.db2.gz MNWUTPWVQHWVLD-KGLIPLIRSA-N 2 0 340.468 -0.330 20 0 EBADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000911259288 650163881 /nfs/dbraw/zinc/16/38/81/650163881.db2.gz XHILLKBBKKBVHA-SUMWQHHRSA-N 2 0 340.468 -0.465 20 0 EBADRP CC[NH2+]CCCNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911270621 650165046 /nfs/dbraw/zinc/16/50/46/650165046.db2.gz OGWANZNINVDPRP-KBPBESRZSA-N 2 0 326.441 -0.840 20 0 EBADRP CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911282886 650166229 /nfs/dbraw/zinc/16/62/29/650166229.db2.gz DKCNAODVNBSCHQ-HUUCEWRRSA-N 2 0 340.468 -0.452 20 0 EBADRP O=C(NCC1=CC[NH2+]CC1)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000911305840 650168637 /nfs/dbraw/zinc/16/86/37/650168637.db2.gz IOWCAZJKNUHCQA-LSDHHAIUSA-N 2 0 336.436 -0.920 20 0 EBADRP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)N1CCNCC[NH2+]CC1 ZINC000911324350 650171374 /nfs/dbraw/zinc/17/13/74/650171374.db2.gz ARUNREMMZXTAOU-LSDHHAIUSA-N 2 0 337.468 -0.859 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000911346620 650173400 /nfs/dbraw/zinc/17/34/00/650173400.db2.gz PKXWPNVIJFFNMK-UHFFFAOYSA-N 2 0 340.468 -0.138 20 0 EBADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)NC[C@H]1COCC[NH2+]1)c1cccnc1 ZINC000911345960 650173483 /nfs/dbraw/zinc/17/34/83/650173483.db2.gz LZSKUHABXAOQGX-LSDHHAIUSA-N 2 0 349.435 -0.705 20 0 EBADRP C[NH+](C)CC[C@H](NC(=O)C(=O)NC[C@H]1COCC[NH2+]1)c1cccnc1 ZINC000911345958 650173517 /nfs/dbraw/zinc/17/35/17/650173517.db2.gz LZSKUHABXAOQGX-GJZGRUSLSA-N 2 0 349.435 -0.705 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@@H]1CCCN2CCSC[C@@H]12 ZINC000911383836 650177416 /nfs/dbraw/zinc/17/74/16/650177416.db2.gz VBXVFJXUBIKMIY-RQJABVFESA-N 2 0 340.493 -0.346 20 0 EBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911411123 650179660 /nfs/dbraw/zinc/17/96/60/650179660.db2.gz JIAUGWSPFGJKKP-UHFFFAOYSA-N 2 0 341.500 -0.428 20 0 EBADRP [NH3+]CC1CCN(C(=O)C(=O)N[C@H]2CCCN3CCSC[C@@H]23)CC1 ZINC000911422246 650182546 /nfs/dbraw/zinc/18/25/46/650182546.db2.gz YQHOIASKPFQWLC-KBPBESRZSA-N 2 0 340.493 -0.120 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1)C[NH+](C)C ZINC000911433614 650183085 /nfs/dbraw/zinc/18/30/85/650183085.db2.gz BKXZSFYAQUPKTA-KGLIPLIRSA-N 2 0 328.457 -0.473 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1)C[NH+](C)C ZINC000911432988 650183230 /nfs/dbraw/zinc/18/32/30/650183230.db2.gz AHIDDNLACFXVTI-KGLIPLIRSA-N 2 0 328.457 -0.282 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)C[NH+](C)C ZINC000911433931 650183557 /nfs/dbraw/zinc/18/35/57/650183557.db2.gz FIWQYAHVNOSPOR-MCIONIFRSA-N 2 0 326.441 -0.578 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)C[NH+](C)C ZINC000911436792 650184008 /nfs/dbraw/zinc/18/40/08/650184008.db2.gz VWUOSTMORNTGLH-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000911441380 650184579 /nfs/dbraw/zinc/18/45/79/650184579.db2.gz GMKLNPKUSNTKOZ-RHSMWYFYSA-N 2 0 340.468 -0.329 20 0 EBADRP CC1([NH+]2CCC2)CCC(NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000911453883 650185188 /nfs/dbraw/zinc/18/51/88/650185188.db2.gz FNTKJBALMHKNJK-UUCFBXCCSA-N 2 0 338.452 -0.304 20 0 EBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000911488193 650188232 /nfs/dbraw/zinc/18/82/32/650188232.db2.gz IWMBHMQFRNTJQC-UONOGXRCSA-N 2 0 331.420 -0.026 20 0 EBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000911519857 650189686 /nfs/dbraw/zinc/18/96/86/650189686.db2.gz LJLBSGYPOYLJNS-CQSZACIVSA-N 2 0 340.468 -0.594 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911521871 650190142 /nfs/dbraw/zinc/19/01/42/650190142.db2.gz XNCDVLAMLZPPNP-ZDUSSCGKSA-N 3 0 327.473 -0.948 20 0 EBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000911528793 650190590 /nfs/dbraw/zinc/19/05/90/650190590.db2.gz RSCMGHGYDARDLM-AWEZNQCLSA-N 2 0 331.420 -0.156 20 0 EBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000911533725 650191101 /nfs/dbraw/zinc/19/11/01/650191101.db2.gz QMESKZVMVVFPLP-CYBMUJFWSA-N 2 0 326.441 -0.589 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CCO1 ZINC000911535932 650191452 /nfs/dbraw/zinc/19/14/52/650191452.db2.gz WBQSLTZNZUTFHG-ZIAGYGMSSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C[C@H](C)O1 ZINC000911542590 650192318 /nfs/dbraw/zinc/19/23/18/650192318.db2.gz PIQWTFJOAJOHJV-XPABHHOTSA-N 2 0 338.452 -0.389 20 0 EBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)CC2)C1 ZINC000911549248 650192793 /nfs/dbraw/zinc/19/27/93/650192793.db2.gz HWOQBPOVCMAHIP-FXUDXRNXSA-N 2 0 349.479 -0.766 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000911729134 650196440 /nfs/dbraw/zinc/19/64/40/650196440.db2.gz BJVAABNPJSDPGD-ZDUSSCGKSA-N 2 0 326.441 -0.589 20 0 EBADRP C[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000919072176 650294945 /nfs/dbraw/zinc/29/49/45/650294945.db2.gz NUCDLOVCDDFEHZ-HUUCEWRRSA-N 2 0 325.457 -0.604 20 0 EBADRP C[C@@H]1[C@H](NC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC[N@@H+]1C ZINC000919517281 650302175 /nfs/dbraw/zinc/30/21/75/650302175.db2.gz NCJYDOCABGBSJC-MGPQQGTHSA-N 2 0 325.457 -0.034 20 0 EBADRP O=C(NC[C@@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1)[C@@H]1CCC[NH2+]1 ZINC000923329719 650338086 /nfs/dbraw/zinc/33/80/86/650338086.db2.gz XXKMIKPECHFDGJ-XHSDSOJGSA-N 3 0 336.480 -0.055 20 0 EBADRP COCC[N@H+](C)C[C@@H](O)CN1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000923374810 650339104 /nfs/dbraw/zinc/33/91/04/650339104.db2.gz CQBHDKLRKPMGLR-HUUCEWRRSA-N 2 0 326.445 -0.687 20 0 EBADRP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923416532 650339311 /nfs/dbraw/zinc/33/93/11/650339311.db2.gz YOGMOVMRUAHJGV-BARDWOONSA-N 2 0 327.425 -0.113 20 0 EBADRP C[C@@H]1C[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[C@H]1C[NH3+] ZINC000923500783 650341902 /nfs/dbraw/zinc/34/19/02/650341902.db2.gz YBCJSNGNHIFLBE-OLZOCXBDSA-N 2 0 348.451 -0.260 20 0 EBADRP C[C@H]1C[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[C@@H]1C[NH3+] ZINC000923500787 650341997 /nfs/dbraw/zinc/34/19/97/650341997.db2.gz YBCJSNGNHIFLBE-QWHCGFSZSA-N 2 0 348.451 -0.260 20 0 EBADRP O=C([C@@H]1CCCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C1)N1CC[NH2+]CC1 ZINC000923565857 650343561 /nfs/dbraw/zinc/34/35/61/650343561.db2.gz GVGDQGMAXXWIQJ-ZIAGYGMSSA-N 2 0 344.481 -0.788 20 0 EBADRP O=S(=O)(NCc1cc(O[C@H]2CC[NH2+]C2)ccn1)[C@@H]1CCC[NH2+]C1 ZINC000923647235 650350297 /nfs/dbraw/zinc/35/02/97/650350297.db2.gz CSFDYOLDCRHVGV-LSDHHAIUSA-N 2 0 340.449 -0.006 20 0 EBADRP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000923648132 650350705 /nfs/dbraw/zinc/35/07/05/650350705.db2.gz HFFTYCVOGCFVHI-MCIONIFRSA-N 2 0 329.466 -0.231 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000923718660 650354104 /nfs/dbraw/zinc/35/41/04/650354104.db2.gz GQNQMQKOPUFYAS-LSDHHAIUSA-N 2 0 330.498 -0.505 20 0 EBADRP C[N@@H+]1CC[C@H]1CNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000924026055 650360057 /nfs/dbraw/zinc/36/00/57/650360057.db2.gz UVOPBCUVLLWGDL-HOTGVXAUSA-N 2 0 339.484 -0.214 20 0 EBADRP C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000924984232 650370524 /nfs/dbraw/zinc/37/05/24/650370524.db2.gz PUWFBHBBWSYCHR-NUJGCVRESA-N 2 0 333.432 -0.195 20 0 EBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000925155331 650373868 /nfs/dbraw/zinc/37/38/68/650373868.db2.gz FHECTPOLHMOYMH-IPYPFGDCSA-N 2 0 328.482 -0.068 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000925407313 650377475 /nfs/dbraw/zinc/37/74/75/650377475.db2.gz JTXCNAONAZNSIP-AWEZNQCLSA-N 2 0 325.457 -0.114 20 0 EBADRP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000926300113 650385291 /nfs/dbraw/zinc/38/52/91/650385291.db2.gz UKEYWFNRPBHEPW-QGZVFWFLSA-N 2 0 338.452 -0.615 20 0 EBADRP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)CCO1 ZINC000926332506 650386457 /nfs/dbraw/zinc/38/64/57/650386457.db2.gz GEDVKTYNRPIIEL-YOEHRIQHSA-N 2 0 338.452 -0.480 20 0 EBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000926353726 650388437 /nfs/dbraw/zinc/38/84/37/650388437.db2.gz LYFYVWSWGCWWCA-WMLDXEAASA-N 2 0 340.468 -0.511 20 0 EBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000926387222 650390473 /nfs/dbraw/zinc/39/04/73/650390473.db2.gz NKCWDSQRZBHVHA-KRWDZBQOSA-N 2 0 340.468 -0.369 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CCO1 ZINC000926389163 650390770 /nfs/dbraw/zinc/39/07/70/650390770.db2.gz VHCXABRZIOFUAA-HUUCEWRRSA-N 2 0 340.468 -0.247 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CCO1 ZINC000926389161 650390786 /nfs/dbraw/zinc/39/07/86/650390786.db2.gz VHCXABRZIOFUAA-GJZGRUSLSA-N 2 0 340.468 -0.247 20 0 EBADRP C[N@@H+]1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CCC1(C)C ZINC000926390036 650390921 /nfs/dbraw/zinc/39/09/21/650390921.db2.gz IWDZPTJWNCYJMG-INIZCTEOSA-N 2 0 326.441 -0.759 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)C[NH+](C)C ZINC000929289150 651540365 /nfs/dbraw/zinc/54/03/65/651540365.db2.gz YUQUXQAJISCMAR-OAHLLOKOSA-N 2 0 340.468 -0.188 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NCC[NH+]1CCC(C)CC1)C[NH+](C)C ZINC000929401869 651545691 /nfs/dbraw/zinc/54/56/91/651545691.db2.gz KPXPTDAXPFKEMB-OAHLLOKOSA-N 2 0 342.484 -0.083 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C[NH+](C)C ZINC000929507244 651551057 /nfs/dbraw/zinc/55/10/57/651551057.db2.gz RSESKJXXFZZSAJ-RRFJBIMHSA-N 2 0 340.468 -0.188 20 0 EBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)NC[C@H]3CC[NH+](C4CC4)C3)C[C@]2(C)C1 ZINC000929511713 651551676 /nfs/dbraw/zinc/55/16/76/651551676.db2.gz XWJUAUOOHJDPMQ-LBTNJELSSA-N 2 0 334.464 -0.003 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000929892861 651570172 /nfs/dbraw/zinc/57/01/72/651570172.db2.gz LEUSIRWVRGBOAQ-XJKSGUPXSA-N 2 0 326.441 -0.909 20 0 EBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000930491182 651598748 /nfs/dbraw/zinc/59/87/48/651598748.db2.gz OEGJXHWRAIYMQB-ZFHGCVPZSA-N 2 0 334.464 -0.005 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)C[NH+](C)C ZINC000930653524 651605798 /nfs/dbraw/zinc/60/57/98/651605798.db2.gz VOYVYLVNXWWCDH-UKRRQHHQSA-N 2 0 340.468 -0.164 20 0 EBADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC2CN(S(C)(=O)=O)C2)CC1 ZINC000930665509 651607792 /nfs/dbraw/zinc/60/77/92/651607792.db2.gz ZZDZPISJPHUTSD-UHFFFAOYSA-N 2 0 332.514 -0.117 20 0 EBADRP C[C@H]1COC[C@H]1NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000932089147 651666341 /nfs/dbraw/zinc/66/63/41/651666341.db2.gz BEWWVXJFVVLJDQ-GBJTYRQASA-N 2 0 340.468 -0.665 20 0 EBADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944170843 652701043 /nfs/dbraw/zinc/70/10/43/652701043.db2.gz VNXXGSPLYQFUHQ-HUUCEWRRSA-N 2 0 349.479 -0.066 20 0 EBADRP C[C@H](O)C[NH+]1CC(N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000941410632 652722162 /nfs/dbraw/zinc/72/21/62/652722162.db2.gz JWWYMBJEKQVOGJ-WMLDXEAASA-N 2 0 336.480 -0.463 20 0 EBADRP O=C([C@@H]1CCCc2nccn21)N1CCN(C2C[NH+](CCCO)C2)CC1 ZINC000941437202 652736928 /nfs/dbraw/zinc/73/69/28/652736928.db2.gz VJNFSKGIAADEGP-INIZCTEOSA-N 2 0 347.463 -0.029 20 0 EBADRP CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)CC2)C1 ZINC000941494391 652769190 /nfs/dbraw/zinc/76/91/90/652769190.db2.gz KCQUFYBRSYRQIR-BFHRDPOASA-N 2 0 334.464 -0.302 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCN1CCNC1=O ZINC000939550714 653004578 /nfs/dbraw/zinc/00/45/78/653004578.db2.gz OXPRKWFNTJRBAO-ZIAGYGMSSA-N 2 0 335.452 -0.456 20 0 EBADRP Cn1nnnc1CN1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946518505 653138847 /nfs/dbraw/zinc/13/88/47/653138847.db2.gz VCKCMRDYFRHMQQ-ZNMIVQPWSA-N 2 0 347.467 -0.025 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+][C@@H]2CCCNC2=O)CC1 ZINC000946918431 653262495 /nfs/dbraw/zinc/26/24/95/653262495.db2.gz JYEZKFQZWUMRRZ-KGLIPLIRSA-N 2 0 338.452 -0.698 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC(O)(C[NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC000946927390 653273663 /nfs/dbraw/zinc/27/36/63/653273663.db2.gz HSDVGPXRPGLSDQ-ZIAGYGMSSA-N 2 0 338.452 -0.840 20 0 EBADRP CN1CC[C@H]([NH2+]CC2(O)CCN(C(=O)C[NH+]3CCCC3)CC2)C1=O ZINC000946933016 653276982 /nfs/dbraw/zinc/27/69/82/653276982.db2.gz QJQYTIDGMZQYMM-AWEZNQCLSA-N 2 0 338.452 -0.744 20 0 EBADRP C[C@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)CCO2 ZINC000949051244 653591304 /nfs/dbraw/zinc/59/13/04/653591304.db2.gz BMTSXTSFUPXNKR-KGLIPLIRSA-N 2 0 338.452 -0.352 20 0 EBADRP C[C@@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CC[N@H+](C)C1)CCO2 ZINC000949244417 653848861 /nfs/dbraw/zinc/84/88/61/653848861.db2.gz GIYMWXGXHOJNPW-KBPBESRZSA-N 2 0 338.452 -0.495 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000957085705 722153012 /nfs/dbraw/zinc/15/30/12/722153012.db2.gz DQVNCNAKYYUVHN-QLFBSQMISA-N 2 0 334.464 -0.003 20 0 EBADRP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC000958116791 722305950 /nfs/dbraw/zinc/30/59/50/722305950.db2.gz IPDZAPGYJWQCNN-OLZOCXBDSA-N 2 0 327.450 -0.176 20 0 EBADRP O=C(NC[C@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC000958215261 722328955 /nfs/dbraw/zinc/32/89/55/722328955.db2.gz VHNUMKKMOCBAJH-JKSUJKDBSA-N 2 0 347.463 -0.080 20 0 EBADRP Cc1nn(C)cc1C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958373518 722354050 /nfs/dbraw/zinc/35/40/50/722354050.db2.gz GVMUHJVBICNMCI-RDJZCZTQSA-N 2 0 349.479 -0.021 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CCCO)C[C@H]2O)CC1 ZINC000958554560 722390342 /nfs/dbraw/zinc/39/03/42/722390342.db2.gz GBEBVJXYDRNXIR-JKSUJKDBSA-N 2 0 327.469 -0.102 20 0 EBADRP Cn1cc(CC[N@H+]2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](O)C2)cn1 ZINC000958592960 722397717 /nfs/dbraw/zinc/39/77/17/722397717.db2.gz ZBWYPMNNTVDMPO-HZPDHXFCSA-N 2 0 347.463 -0.533 20 0 EBADRP O=C(NC[C@H]1C[N@@H+](CCn2cccn2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC000958595071 722398586 /nfs/dbraw/zinc/39/85/86/722398586.db2.gz PCZZHVITNWLTLQ-LSDHHAIUSA-N 2 0 333.436 -0.612 20 0 EBADRP CN(C(=O)C[NH+]1CCCC1)[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000958851472 722619316 /nfs/dbraw/zinc/61/93/16/722619316.db2.gz UHUHCXZOPNTPQS-KKUMJFAQSA-N 2 0 338.452 -0.794 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCN4CCNC4=O)C[C@H]32)CC[N@@H+]1C ZINC000960003493 722782025 /nfs/dbraw/zinc/78/20/25/722782025.db2.gz PDXGXMIKMKNHEL-AALSBFMBSA-N 2 0 349.479 -0.212 20 0 EBADRP O=C(N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)C12CCC[NH+](CCC1)C2 ZINC001019030247 728776802 /nfs/dbraw/zinc/77/68/02/728776802.db2.gz FOBGQKRONZFYQG-KBPBESRZSA-N 2 0 348.447 -0.142 20 0 EBADRP CN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cnc2c1CCCC2 ZINC000961183889 722912469 /nfs/dbraw/zinc/91/24/69/722912469.db2.gz ITMAELJQXFAFGJ-MCBXIFIFSA-N 2 0 345.447 -0.104 20 0 EBADRP CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CC[NH+](C)CC2)C1=O ZINC000961657302 723053419 /nfs/dbraw/zinc/05/34/19/723053419.db2.gz DAPCYBQCAKIDMM-XUWVNRHRSA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N(C)C4CC4)C[C@H]32)C1 ZINC000961766231 723075558 /nfs/dbraw/zinc/07/55/58/723075558.db2.gz SXMNWTAUUVAGMI-TXPWEPMLSA-N 2 0 334.464 -0.005 20 0 EBADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000962008804 723145224 /nfs/dbraw/zinc/14/52/24/723145224.db2.gz HQZPXGDEJDAMKP-LJISPDSOSA-N 2 0 348.451 -0.631 20 0 EBADRP O=C(N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)C12CCC[NH+]1CCC2 ZINC001019088035 728793054 /nfs/dbraw/zinc/79/30/54/728793054.db2.gz KKYLHORLZNCQIF-QWHCGFSZSA-N 2 0 334.420 -0.390 20 0 EBADRP CC1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC000962144075 723179468 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/nfs/dbraw/zinc/10/94/13/725109413.db2.gz UBRRFGTYJMJVCO-OLZOCXBDSA-N 2 0 334.424 -0.863 20 0 EBADRP C[NH+](C)C1(C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)CCC1 ZINC000968904369 725127189 /nfs/dbraw/zinc/12/71/89/725127189.db2.gz QXIOFRNUBSYBSO-CYBMUJFWSA-N 2 0 336.436 -0.190 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000969086600 725149762 /nfs/dbraw/zinc/14/97/62/725149762.db2.gz WOQTYNGHTGOACP-ZIAGYGMSSA-N 2 0 338.452 -0.576 20 0 EBADRP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC000969353832 725173073 /nfs/dbraw/zinc/17/30/73/725173073.db2.gz WVPALLIPRBKURV-OCCSQVGLSA-N 2 0 341.371 -0.056 20 0 EBADRP C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1C[NH+](CCN2CCNC2=O)C1 ZINC000969676753 725202214 /nfs/dbraw/zinc/20/22/14/725202214.db2.gz IEJBKFFFSBHOHC-CJNGLKHVSA-N 2 0 349.479 -0.210 20 0 EBADRP CN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1=O ZINC000970354613 725281648 /nfs/dbraw/zinc/28/16/48/725281648.db2.gz CMRQHRDXMNMDRU-HIFRSBDPSA-N 2 0 338.452 -0.482 20 0 EBADRP Cn1nncc1C[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000970356952 725282613 /nfs/dbraw/zinc/28/26/13/725282613.db2.gz KSRQTELCRLUTJH-CYBMUJFWSA-N 2 0 336.440 -0.384 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC000970723612 725320484 /nfs/dbraw/zinc/32/04/84/725320484.db2.gz CZSPYHREAQMNHJ-LSDHHAIUSA-N 2 0 336.440 -0.563 20 0 EBADRP C[NH+](C)C1(C(=O)N2CC[C@H]([N@H+](C)[C@@H]3CCC(=O)NC3=O)C2)CCC1 ZINC000971676853 725429944 /nfs/dbraw/zinc/42/99/44/725429944.db2.gz HURKROKAPBDSPP-QWHCGFSZSA-N 2 0 336.436 -0.191 20 0 EBADRP C[NH+](C)C1(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCCNC3=O)C2)CCC1 ZINC001051651371 735292382 /nfs/dbraw/zinc/29/23/82/735292382.db2.gz KWSFOCXGOTVSDO-ZIAGYGMSSA-N 2 0 338.452 -0.434 20 0 EBADRP Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001051654848 735295570 /nfs/dbraw/zinc/29/55/70/735295570.db2.gz VRNAZNFKPKHJJB-HNNXBMFYSA-N 2 0 336.440 -0.384 20 0 EBADRP C[N@@H+]([C@@H]1CCNC1=O)[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000972629287 725565461 /nfs/dbraw/zinc/56/54/61/725565461.db2.gz UMQGTEXXXAZPNF-DZGCQCFKSA-N 2 0 338.452 -0.482 20 0 EBADRP C[N@H+]([C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1CCC(=O)NC1=O ZINC000972735580 725588544 /nfs/dbraw/zinc/58/85/44/725588544.db2.gz NSPPSVRSSFTFIC-QWHCGFSZSA-N 2 0 334.420 -0.580 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC[N@@H+]1C ZINC000992090265 725722444 /nfs/dbraw/zinc/72/24/44/725722444.db2.gz RWKFCPZLJOMGOS-WQVCFCJDSA-N 2 0 334.464 -0.005 20 0 EBADRP CCN1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000992346630 725783558 /nfs/dbraw/zinc/78/35/58/725783558.db2.gz UHDQLJFKRXYKRA-YUELXQCFSA-N 2 0 338.452 -0.626 20 0 EBADRP O=C(c1ccn2c[nH+]cc2c1)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051699137 735334914 /nfs/dbraw/zinc/33/49/14/735334914.db2.gz NYPPQQLUTVCPRF-CABCVRRESA-N 2 0 343.387 -0.347 20 0 EBADRP O=C(c1ccc2c[nH+]cn2c1)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051715829 735349314 /nfs/dbraw/zinc/34/93/14/735349314.db2.gz UVPOZEKIBVYBPH-CABCVRRESA-N 2 0 343.387 -0.347 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC000976266443 726245822 /nfs/dbraw/zinc/24/58/22/726245822.db2.gz GEJBZCXHHKURFY-FIDHJVLJSA-N 2 0 346.475 -0.005 20 0 EBADRP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC000976278890 726251279 /nfs/dbraw/zinc/25/12/79/726251279.db2.gz KUUGOIFOIANMGW-KDEOKCCVSA-N 2 0 334.464 -0.005 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000976286610 726254524 /nfs/dbraw/zinc/25/45/24/726254524.db2.gz QWEXWTNOCYGMMI-ZVDSWSACSA-N 2 0 334.464 -0.006 20 0 EBADRP Cn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)CC1(C)C ZINC000995610339 726279500 /nfs/dbraw/zinc/27/95/00/726279500.db2.gz ZRPOXJLVWGMOJO-ZIAGYGMSSA-N 2 0 336.440 -0.528 20 0 EBADRP O=C(NC1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1)C12CC[NH+](CC1)C2 ZINC000996472051 726401821 /nfs/dbraw/zinc/40/18/21/726401821.db2.gz HREBEONXSSVKQQ-HNNXBMFYSA-N 2 0 332.448 -0.249 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CC[NH+](C)CC2)C1 ZINC000976761356 726408966 /nfs/dbraw/zinc/40/89/66/726408966.db2.gz PKGYPBZWNKTJKH-WCVJEAGWSA-N 2 0 334.464 -0.147 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]32)CC1 ZINC000976763017 726409439 /nfs/dbraw/zinc/40/94/39/726409439.db2.gz YJJXDEAYISEULX-QLPKVWCKSA-N 2 0 334.464 -0.003 20 0 EBADRP CC(C)(C(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1)[NH+]1CCCC1 ZINC001051749648 735370386 /nfs/dbraw/zinc/37/03/86/735370386.db2.gz HVAPOSOENOAMEO-UONOGXRCSA-N 2 0 338.452 -0.434 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC000996561052 726418417 /nfs/dbraw/zinc/41/84/17/726418417.db2.gz OGVIVDYAJWZENP-GJZGRUSLSA-N 2 0 348.447 -0.286 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CCN3CCNC3=O)C(C)(C)C2)C1 ZINC000996617646 726420043 /nfs/dbraw/zinc/42/00/43/726420043.db2.gz VRIOHIVFENEXQG-ZIAGYGMSSA-N 2 0 337.468 -0.210 20 0 EBADRP CC[C@@H](C(=O)N1CCC([NH2+]CCN2C(=O)CNC2=O)CC1)[NH+](C)C ZINC000997008600 726434734 /nfs/dbraw/zinc/43/47/34/726434734.db2.gz ADEBOWDESFUAOP-ZDUSSCGKSA-N 2 0 339.440 -0.541 20 0 EBADRP C[C@H]([NH2+]C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1)C(N)=O ZINC000997127170 726439286 /nfs/dbraw/zinc/43/92/86/726439286.db2.gz NVHXPMKTJMMWOF-LBPRGKRZSA-N 2 0 326.441 -0.448 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]Cc3nnnn3C)CC2)C1 ZINC000998083125 726475318 /nfs/dbraw/zinc/47/53/18/726475318.db2.gz VDSFAHDLSPJAIO-ZDUSSCGKSA-N 2 0 335.456 -0.120 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC000998792077 726498327 /nfs/dbraw/zinc/49/83/27/726498327.db2.gz RVLSMIVSTJTHOC-XSCHDIRWSA-N 2 0 337.468 -0.069 20 0 EBADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)C1CC([NH2+]CC(N)=O)C1 ZINC000998900184 726500477 /nfs/dbraw/zinc/50/04/77/726500477.db2.gz VBDYNZHJCSTNRR-ZALBZXLWSA-N 2 0 338.452 -0.306 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CCC[C@@H]([NH2+][C@@H]3CCNC3=O)C2)n1 ZINC000999181773 726510104 /nfs/dbraw/zinc/51/01/04/726510104.db2.gz MKBSYBRMCZDVRW-ZIAGYGMSSA-N 2 0 348.451 -0.473 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1)C(N)=O ZINC000999180180 726510141 /nfs/dbraw/zinc/51/01/41/726510141.db2.gz FQHBHZFDEJKONM-QWHCGFSZSA-N 2 0 336.440 -0.487 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1)C(N)=O ZINC000999493941 726520734 /nfs/dbraw/zinc/52/07/34/726520734.db2.gz NOQTVKVLFVFOFW-UONOGXRCSA-N 2 0 340.468 -0.201 20 0 EBADRP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]CCN2C(=O)CCC2=O)C1 ZINC000999833653 726534190 /nfs/dbraw/zinc/53/41/90/726534190.db2.gz OSWJJIQEGWFSIN-UHFFFAOYSA-N 2 0 336.436 -0.190 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000999873039 726537184 /nfs/dbraw/zinc/53/71/84/726537184.db2.gz VLXPITHAPBILAD-CJNGLKHVSA-N 2 0 334.464 -0.003 20 0 EBADRP COCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C)nn2)C1 ZINC000999962311 726544940 /nfs/dbraw/zinc/54/49/40/726544940.db2.gz LKZGTKJTSZVOFC-LSDHHAIUSA-N 2 0 336.440 -0.118 20 0 EBADRP CN1CCO[C@H](C(=O)NCc2cn([C@@H]3CCN(CCF)C3)nn2)C1 ZINC000999975235 726546257 /nfs/dbraw/zinc/54/62/57/726546257.db2.gz QFQRIOOEXHZSCK-KGLIPLIRSA-N 2 0 340.403 -0.559 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1=CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001000518297 726569484 /nfs/dbraw/zinc/56/94/84/726569484.db2.gz NTISILOWRCDVDB-CQSZACIVSA-N 2 0 349.435 -0.619 20 0 EBADRP Cc1nc[nH]c1CC(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001000793280 726577973 /nfs/dbraw/zinc/57/79/73/726577973.db2.gz DQSHDPAAZLKZLW-AWEZNQCLSA-N 2 0 349.435 -0.300 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1=CC[NH+](CCN2CCNC2=O)CC1 ZINC001001150637 726594171 /nfs/dbraw/zinc/59/41/71/726594171.db2.gz HEHUPEPHOBVTMY-GOEBONIOSA-N 2 0 349.479 -0.042 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1=CC[NH+](CCN2CCNC2=O)CC1 ZINC001001150636 726594189 /nfs/dbraw/zinc/59/41/89/726594189.db2.gz HEHUPEPHOBVTMY-GDBMZVCRSA-N 2 0 349.479 -0.042 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1=CC[NH+](CCN2CCNC2=O)CC1 ZINC001001150639 726594255 /nfs/dbraw/zinc/59/42/55/726594255.db2.gz HEHUPEPHOBVTMY-ZBFHGGJFSA-N 2 0 349.479 -0.042 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001001263263 726599742 /nfs/dbraw/zinc/59/97/42/726599742.db2.gz JCFQDXDBOPCNIG-KBPBESRZSA-N 2 0 336.436 -0.286 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC001002119480 726633261 /nfs/dbraw/zinc/63/32/61/726633261.db2.gz AOVFEVBSNHXSEP-UONOGXRCSA-N 2 0 336.436 -0.429 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)C34CC[NH+](CC3)C4)C2)CC[N@@H+]1C ZINC001002235073 726636097 /nfs/dbraw/zinc/63/60/97/726636097.db2.gz KTGBWDXSZIEOLK-UKRRQHHQSA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(C[NH+]1CCCC1)NC1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC001004148961 726701489 /nfs/dbraw/zinc/70/14/89/726701489.db2.gz YRIOZKYOSFRGJE-MRXNPFEDSA-N 2 0 335.452 -0.080 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001004451772 726707612 /nfs/dbraw/zinc/70/76/12/726707612.db2.gz CJQMYCFICYIMFW-ZFWWWQNUSA-N 2 0 334.464 -0.146 20 0 EBADRP O=C(N[C@H]1CCC[N@H+](CCN2CCNC2=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001007351972 726792680 /nfs/dbraw/zinc/79/26/80/726792680.db2.gz XOWPMFQFYCQKIM-JKSUJKDBSA-N 2 0 349.479 -0.066 20 0 EBADRP CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]Cc2cnnn2CC)C1)[NH+](C)C ZINC001051829814 735420178 /nfs/dbraw/zinc/42/01/78/735420178.db2.gz HBNKQLFEGNYQHA-CABCVRRESA-N 2 0 338.456 -0.045 20 0 EBADRP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CCO2)nn1C ZINC001051933011 735471378 /nfs/dbraw/zinc/47/13/78/735471378.db2.gz XSKLXJSDWMFIAN-GDBMZVCRSA-N 2 0 335.452 -0.003 20 0 EBADRP COc1nccc(C[NH2+]C[C@@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)n1 ZINC001051933620 735471887 /nfs/dbraw/zinc/47/18/87/735471887.db2.gz JUVDJUXLCCVEPY-OAHLLOKOSA-N 2 0 349.435 -0.102 20 0 EBADRP O=C(CC[NH+]1CCCCC1)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051943123 735477806 /nfs/dbraw/zinc/47/78/06/735477806.db2.gz ITOSEILKYRPQFA-HUUCEWRRSA-N 2 0 338.452 -0.432 20 0 EBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC[C@H]([NH2+]CCO)C2)CC1 ZINC001018858567 728695896 /nfs/dbraw/zinc/69/58/96/728695896.db2.gz IHDYQIPHOVUMRH-XHSDSOJGSA-N 2 0 325.453 -0.084 20 0 EBADRP O=C(CC[NH+]1CCCCC1)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001019815182 728998678 /nfs/dbraw/zinc/99/86/78/728998678.db2.gz BJWULDJDQJYVHK-KBPBESRZSA-N 2 0 336.436 -0.142 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001020145544 729083861 /nfs/dbraw/zinc/08/38/61/729083861.db2.gz NNDJVWNTCFQDON-AVGNSLFASA-N 2 0 336.440 -0.282 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001020145554 729084031 /nfs/dbraw/zinc/08/40/31/729084031.db2.gz NNDJVWNTCFQDON-JHJVBQTASA-N 2 0 336.440 -0.282 20 0 EBADRP O=C(C[NH2+][C@@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1)N1CCC1 ZINC001020178717 729092042 /nfs/dbraw/zinc/09/20/42/729092042.db2.gz BYCNGPRXJNXGAN-AJNGGQMLSA-N 2 0 336.436 -0.681 20 0 EBADRP O=C(N[C@H]1C[C@H]([NH2+]CCn2cccn2)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001020178679 729092132 /nfs/dbraw/zinc/09/21/32/729092132.db2.gz AYIUDVDCPDKZQY-YHUYYLMFSA-N 2 0 333.436 -0.017 20 0 EBADRP CCn1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)nn1 ZINC001020179024 729092580 /nfs/dbraw/zinc/09/25/80/729092580.db2.gz LDYCDTGQDLHMOQ-RRCSTGOVSA-N 2 0 348.451 -0.102 20 0 EBADRP Cc1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)[nH]1 ZINC001020179030 729092615 /nfs/dbraw/zinc/09/26/15/729092615.db2.gz LGLDWPJAOQPKGH-XUXIUFHCSA-N 2 0 334.424 -0.287 20 0 EBADRP C[C@@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CCn3cncc3C2)C1)c1nnnn1C ZINC001020308642 729129345 /nfs/dbraw/zinc/12/93/45/729129345.db2.gz KTWJRDLDXBUNTB-FDYHWXHSSA-N 2 0 344.423 -0.033 20 0 EBADRP O=C(C[NH2+][C@@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1)N1CCC1 ZINC001020405887 729160009 /nfs/dbraw/zinc/16/00/09/729160009.db2.gz DNJXZVMMDIXRAJ-ZQYVVYLISA-N 2 0 348.447 -0.681 20 0 EBADRP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001020519453 729192035 /nfs/dbraw/zinc/19/20/35/729192035.db2.gz IHYVRKPZAZUYNG-AVGNSLFASA-N 2 0 348.403 -0.003 20 0 EBADRP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001020519454 729192220 /nfs/dbraw/zinc/19/22/20/729192220.db2.gz IHYVRKPZAZUYNG-JHJVBQTASA-N 2 0 348.403 -0.003 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001020590356 729205971 /nfs/dbraw/zinc/20/59/71/729205971.db2.gz TYTMCWJXKGPKFA-JHJVBQTASA-N 2 0 337.424 -0.883 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3nnc4n3CCOC4)C2)C1 ZINC001020926914 729257315 /nfs/dbraw/zinc/25/73/15/729257315.db2.gz HEYQBKLEBDGOFR-IHRRRGAJSA-N 2 0 348.451 -0.113 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)CC[N@@H+]1C ZINC001022103072 729455502 /nfs/dbraw/zinc/45/55/02/729455502.db2.gz DQPSYYKLRCSCQZ-QKGCVVFFSA-N 2 0 343.493 -0.002 20 0 EBADRP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1)C(N)=O ZINC001022455626 729495408 /nfs/dbraw/zinc/49/54/08/729495408.db2.gz XJUSIPHQMPTLFO-HELXVEOTSA-N 2 0 336.436 -0.650 20 0 EBADRP CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1=O ZINC001022455173 729495658 /nfs/dbraw/zinc/49/56/58/729495658.db2.gz JWDXNMGKUCEBCH-DMEBWAFSSA-N 2 0 348.447 -0.683 20 0 EBADRP C[NH+]1CCC(CC(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001022809776 729534669 /nfs/dbraw/zinc/53/46/69/729534669.db2.gz RFRRYGSKTVBUIO-MJBXVCDLSA-N 2 0 336.436 -0.240 20 0 EBADRP CC1CC[NH+](CC(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001022885771 729547754 /nfs/dbraw/zinc/54/77/54/729547754.db2.gz PAKOMGVLPQVOII-MJBXVCDLSA-N 2 0 336.436 -0.240 20 0 EBADRP O=C(N[C@@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)C12CC[NH+](CC1)C2 ZINC001022980090 729569388 /nfs/dbraw/zinc/56/93/88/729569388.db2.gz GBLRZUSQYKTRND-BETUJISGSA-N 2 0 334.420 -0.532 20 0 EBADRP O=C(NC[C@@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001023703181 729755691 /nfs/dbraw/zinc/75/56/91/729755691.db2.gz CIPLZKDLRPJVAL-KBPBESRZSA-N 2 0 348.447 -0.284 20 0 EBADRP C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)CCC1 ZINC001023796468 729800722 /nfs/dbraw/zinc/80/07/22/729800722.db2.gz FLNFOHMOYSDAKV-ZIAGYGMSSA-N 2 0 338.452 -0.746 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3nnnn3C)C2)CC[N@@H+]1C ZINC001023993944 729825923 /nfs/dbraw/zinc/82/59/23/729825923.db2.gz UWIFKUAYQJOJFR-HZSPNIEDSA-N 2 0 335.456 -0.122 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C[NH2+]Cc3nnnn3C)C2)C1 ZINC001024155975 729852692 /nfs/dbraw/zinc/85/26/92/729852692.db2.gz GBRURZPBWDGRFS-KBPBESRZSA-N 2 0 335.456 -0.120 20 0 EBADRP Cn1cncc1CC(=O)N1CCC[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001024237262 729864582 /nfs/dbraw/zinc/86/45/82/729864582.db2.gz STICLYLMWTYJAE-LBPRGKRZSA-N 2 0 347.423 -0.587 20 0 EBADRP CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1=O ZINC001025787564 730088399 /nfs/dbraw/zinc/08/83/99/730088399.db2.gz UAMZEIYMOPYYOO-UUAJXVIYSA-N 2 0 346.475 -0.005 20 0 EBADRP CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1=O ZINC001025794039 730089206 /nfs/dbraw/zinc/08/92/06/730089206.db2.gz NXQJCEXSSYUZTM-FWXGHANASA-N 2 0 334.464 -0.006 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025798615 730090367 /nfs/dbraw/zinc/09/03/67/730090367.db2.gz AHTFOFCOSLXGNM-UUAJXVIYSA-N 2 0 345.447 -0.207 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001025820372 730096983 /nfs/dbraw/zinc/09/69/83/730096983.db2.gz SYZPRPDIJLOYMY-NRKLIOEPSA-N 2 0 347.463 -0.225 20 0 EBADRP CO[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908725 730104785 /nfs/dbraw/zinc/10/47/85/730104785.db2.gz WFASTDMUTWAGLB-DGLYNPCGSA-N 2 0 335.448 -0.069 20 0 EBADRP CC(C)N1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001026145977 730125626 /nfs/dbraw/zinc/12/56/26/730125626.db2.gz BQGPOZYZMDCXRJ-AALSBFMBSA-N 2 0 334.464 -0.006 20 0 EBADRP Cn1[nH]c(C[NH2+][C@@H]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]23)nc1=O ZINC001026421348 730144524 /nfs/dbraw/zinc/14/45/24/730144524.db2.gz RWRGIUUQYVOSOZ-MGPQQGTHSA-N 2 0 348.451 -0.469 20 0 EBADRP O=C(C[NH+]1CCCC1)NC1CCC([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001026606396 730152431 /nfs/dbraw/zinc/15/24/31/730152431.db2.gz AOPOHZIJXKRAGL-RUXDESIVSA-N 2 0 336.436 -0.096 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCNC3=O)C2)n1 ZINC001026851098 730163630 /nfs/dbraw/zinc/16/36/30/730163630.db2.gz JOGJXHQVXXSGNR-ZIAGYGMSSA-N 2 0 348.451 -0.615 20 0 EBADRP C[NH+](C)C1(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)CCC1 ZINC001026885048 730166895 /nfs/dbraw/zinc/16/68/95/730166895.db2.gz FKGXXXIYARJCGY-CHWSQXEVSA-N 2 0 336.436 -0.286 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nc1=O ZINC001026886600 730167169 /nfs/dbraw/zinc/16/71/69/730167169.db2.gz BJEQGRTZQYRHTG-BXUZGUMPSA-N 2 0 336.440 -0.613 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+]2CCN2CCNC2=O)CC[N@@H+]1C ZINC001027895697 730246457 /nfs/dbraw/zinc/24/64/57/730246457.db2.gz ZZNYRGFMOMGSHM-RBSFLKMASA-N 2 0 337.468 -0.068 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CCN2CCNC2=O)CC1 ZINC001028117476 730268648 /nfs/dbraw/zinc/26/86/48/730268648.db2.gz PYDXVYQJBZJUOL-HNNXBMFYSA-N 2 0 337.468 -0.066 20 0 EBADRP COc1nccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3CN(C)CCO3)C2)n1 ZINC001028465086 730297135 /nfs/dbraw/zinc/29/71/35/730297135.db2.gz IKHQKEPDBJMDCV-HIFRSBDPSA-N 2 0 349.435 -0.246 20 0 EBADRP O=C(NC[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001028933376 730372354 /nfs/dbraw/zinc/37/23/54/730372354.db2.gz OYFNNXXJMVKRNB-QWHCGFSZSA-N 2 0 334.420 -0.675 20 0 EBADRP CCN1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3CCn2cncn2)C1 ZINC001029589293 730412146 /nfs/dbraw/zinc/41/21/46/730412146.db2.gz FHHPSMAZKAZKHO-XHSDSOJGSA-N 2 0 348.451 -0.326 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCN2C(=O)CNC2=O)C1 ZINC001031585013 730737692 /nfs/dbraw/zinc/73/76/92/730737692.db2.gz OFHWBZVOPCPOCI-ZDUSSCGKSA-N 2 0 337.424 -0.930 20 0 EBADRP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)Cn1cccn1)C12CC[NH+](CC1)C2 ZINC001032734026 730921060 /nfs/dbraw/zinc/92/10/60/730921060.db2.gz SLJPROYFIIWRMG-HRCADAONSA-N 2 0 345.447 -0.375 20 0 EBADRP C[C@@H]1CN(C(=O)CN2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)CCO1 ZINC001032828396 730940261 /nfs/dbraw/zinc/94/02/61/730940261.db2.gz WTOYSAMUQPHHCL-QLFBSQMISA-N 2 0 338.452 -0.482 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)nc1=O ZINC001034611520 731145492 /nfs/dbraw/zinc/14/54/92/731145492.db2.gz KKIHHLRJANLSMI-AVGNSLFASA-N 2 0 336.440 -0.280 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001039760764 731524146 /nfs/dbraw/zinc/52/41/46/731524146.db2.gz SNEYINIZSYREIB-YOEHRIQHSA-N 2 0 340.468 -0.641 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001039760797 731524165 /nfs/dbraw/zinc/52/41/65/731524165.db2.gz UCKHCPASUSQQQX-PBHICJAKSA-N 2 0 338.452 -0.887 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC001040494942 731758659 /nfs/dbraw/zinc/75/86/59/731758659.db2.gz GRZOOWWQTMAUDU-CKEIUWERSA-N 2 0 340.468 -0.500 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040799513 731879993 /nfs/dbraw/zinc/87/99/93/731879993.db2.gz ZTWZJJOHJGLEKZ-MRXNPFEDSA-N 2 0 328.457 -0.641 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)CC)C1 ZINC001040902304 731911327 /nfs/dbraw/zinc/91/13/27/731911327.db2.gz QCVGNOFXNKBSLA-KRWDZBQOSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC001042098892 732310596 /nfs/dbraw/zinc/31/05/96/732310596.db2.gz YAXPYLSPPPXYPM-OLZOCXBDSA-N 2 0 326.441 -0.890 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001042104912 732317794 /nfs/dbraw/zinc/31/77/94/732317794.db2.gz UISSJRDDTMDGSL-ZDUSSCGKSA-N 2 0 338.452 -0.888 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001043160183 732796948 /nfs/dbraw/zinc/79/69/48/732796948.db2.gz XXEJEYFRDHFCKT-UHFFFAOYSA-N 2 0 342.484 -0.252 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(C(=O)Cn2ccnc2)C1 ZINC001043410845 732919662 /nfs/dbraw/zinc/91/96/62/732919662.db2.gz UBTOOYOKBWQUJW-CQSZACIVSA-N 2 0 349.435 -0.553 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)C1 ZINC001043429367 732933658 /nfs/dbraw/zinc/93/36/58/732933658.db2.gz AIKRYELVTBWLFV-KBPBESRZSA-N 2 0 340.468 -0.786 20 0 EBADRP CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1)[NH+](C)C ZINC001043470881 732960552 /nfs/dbraw/zinc/96/05/52/732960552.db2.gz DBDVTPMNQJCYLV-KGLIPLIRSA-N 2 0 342.484 -0.398 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001043771416 733105746 /nfs/dbraw/zinc/10/57/46/733105746.db2.gz VMAWHPFZMDUORD-KGLIPLIRSA-N 2 0 338.452 -0.746 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001061663930 738683699 /nfs/dbraw/zinc/68/36/99/738683699.db2.gz SIGWIXNJITWOSC-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)C[N@H+](C)C(C)C)C1)[NH+](C)C ZINC001044290557 733360228 /nfs/dbraw/zinc/36/02/28/733360228.db2.gz BKXSKLHVQNYPHD-OAHLLOKOSA-N 2 0 342.484 -0.398 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001044302058 733367821 /nfs/dbraw/zinc/36/78/21/733367821.db2.gz FTZCLXFKKAYTHE-ZDUSSCGKSA-N 2 0 326.441 -0.888 20 0 EBADRP C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001044610437 733463695 /nfs/dbraw/zinc/46/36/95/733463695.db2.gz PZLGIOSJJRXGOV-QWHCGFSZSA-N 2 0 336.440 -0.487 20 0 EBADRP CC[C@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001045398299 733686466 /nfs/dbraw/zinc/68/64/66/733686466.db2.gz ZZAMUNGMYUASHV-OLZOCXBDSA-N 2 0 326.441 -0.448 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCN([C@@H]3CC[N@H+](CCCO)C3)CC2)CC1 ZINC001046058337 733837678 /nfs/dbraw/zinc/83/76/78/733837678.db2.gz HKJFVEYMCATVIQ-QGZVFWFLSA-N 2 0 338.496 -0.071 20 0 EBADRP CC1CC[NH+](CC(=O)N2CCN([C@H]3CC[N@H+](CCO)C3)CC2)CC1 ZINC001046073537 733848961 /nfs/dbraw/zinc/84/89/61/733848961.db2.gz IEBDQDYKFRSEHN-KRWDZBQOSA-N 2 0 338.496 -0.071 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046075871 733850014 /nfs/dbraw/zinc/85/00/14/733850014.db2.gz HAYXNZABJUZMDR-HNNXBMFYSA-N 2 0 347.463 -0.028 20 0 EBADRP C[C@H](O)C[N@@H+]1CC[C@H](N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001046076323 733850977 /nfs/dbraw/zinc/85/09/77/733850977.db2.gz LWYWVHMIWOMYAG-HOTGVXAUSA-N 2 0 336.480 -0.319 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1 ZINC001046525908 733954698 /nfs/dbraw/zinc/95/46/98/733954698.db2.gz VXJKQRMEDSFOFD-UHFFFAOYSA-N 2 0 328.457 -0.641 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001046672752 733996699 /nfs/dbraw/zinc/99/66/99/733996699.db2.gz ZFZDVHPMWVKUCU-AWEZNQCLSA-N 2 0 340.468 -0.500 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)C1 ZINC001046684305 734002609 /nfs/dbraw/zinc/00/26/09/734002609.db2.gz GSDCZBQHCQRPIS-UONOGXRCSA-N 2 0 340.468 -0.785 20 0 EBADRP C[C@@]1(NC(=O)C23CC[NH+](CC2)C3)CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001046776943 734024996 /nfs/dbraw/zinc/02/49/96/734024996.db2.gz MRYWBOIGFATVQQ-QGZVFWFLSA-N 2 0 348.447 -0.188 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@]2(C)CC[NH+](CCN3C(=O)CCC3=O)C2)C1 ZINC001046838145 734038355 /nfs/dbraw/zinc/03/83/55/734038355.db2.gz FPVZTOBSWBJLBJ-SUMWQHHRSA-N 2 0 336.436 -0.332 20 0 EBADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O ZINC001047323936 734134609 /nfs/dbraw/zinc/13/46/09/734134609.db2.gz BQUBGWDHNWFULO-PMPSAXMXSA-N 2 0 335.452 -0.440 20 0 EBADRP CN(C(=O)Cc1cnc[nH]1)[C@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001047544996 734247643 /nfs/dbraw/zinc/24/76/43/734247643.db2.gz MGIMCFVOQQIKCA-GJZGRUSLSA-N 2 0 332.408 -0.568 20 0 EBADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048477878 734426323 /nfs/dbraw/zinc/42/63/23/734426323.db2.gz WTPPSTGYAWYSQS-STQMWFEESA-N 2 0 336.440 -0.612 20 0 EBADRP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818737 734523234 /nfs/dbraw/zinc/52/32/34/734523234.db2.gz LRUYMJUYEDXNIP-LVQVYYBASA-N 2 0 334.464 -0.003 20 0 EBADRP C[N@H+](CC(=O)N1C[C@@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1)C1CCC1 ZINC001048865137 734543574 /nfs/dbraw/zinc/54/35/74/734543574.db2.gz VXISKAATVVKCBM-VNHYZAJKSA-N 2 0 348.447 -0.334 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001048874275 734550601 /nfs/dbraw/zinc/55/06/01/734550601.db2.gz VMOLGMPYWNNPCH-GJZGRUSLSA-N 2 0 340.468 -0.546 20 0 EBADRP CC[NH+](CC)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC001048880792 734555585 /nfs/dbraw/zinc/55/55/85/734555585.db2.gz PZJZZYHLUUUNFI-ILXRZTDVSA-N 2 0 340.468 -0.690 20 0 EBADRP CC[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+](C)C(C)C)C1)[NH+](C)C ZINC001048972809 734591577 /nfs/dbraw/zinc/59/15/77/734591577.db2.gz DFBYWERYIYUONT-KKUMJFAQSA-N 2 0 342.484 -0.303 20 0 EBADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001049048079 734625238 /nfs/dbraw/zinc/62/52/38/734625238.db2.gz GVSBDGXMBQTEFA-KKUMJFAQSA-N 2 0 340.468 -0.548 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC3CC3)C[C@@H]2C1 ZINC001049060022 734630514 /nfs/dbraw/zinc/63/05/14/734630514.db2.gz LQATULHVIOMESY-NYTXWWLZSA-N 2 0 334.464 -0.147 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]1O ZINC001049149542 734663386 /nfs/dbraw/zinc/66/33/86/734663386.db2.gz HQLQYJHITRYTRW-KKUMJFAQSA-N 2 0 342.484 -0.302 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)[C@H]1CN(C(=O)C[NH+](CC)CC)C[C@@H]1O ZINC001049149821 734663576 /nfs/dbraw/zinc/66/35/76/734663576.db2.gz MYAPYSSCQUSAIO-GJZGRUSLSA-N 2 0 342.484 -0.300 20 0 EBADRP O=C(N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2C1)[C@@]12CC[NH+](C1)CCC2 ZINC001049191836 734679734 /nfs/dbraw/zinc/67/97/34/734679734.db2.gz JYPXNWAWSLLNIO-FSZRXZPDSA-N 2 0 332.448 -0.249 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCCC4)C[C@@H]3C2)C1 ZINC001049212758 734686714 /nfs/dbraw/zinc/68/67/14/734686714.db2.gz DYRGRHQIDLEZON-OAGGEKHMSA-N 2 0 334.464 -0.049 20 0 EBADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001049216771 734688533 /nfs/dbraw/zinc/68/85/33/734688533.db2.gz HYPNNJSQQUBMAO-MJBXVCDLSA-N 2 0 334.420 -0.722 20 0 EBADRP CC[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCC[NH+](C)C)C1)[NH+](C)C ZINC001049348881 734712750 /nfs/dbraw/zinc/71/27/50/734712750.db2.gz DBOSUHPWPAHSBZ-KKUMJFAQSA-N 2 0 342.484 -0.302 20 0 EBADRP CN(C(=O)CCC[NH+](C)C)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC001049345554 734713100 /nfs/dbraw/zinc/71/31/00/734713100.db2.gz YWGFQSGCFDFBSV-ILXRZTDVSA-N 2 0 340.468 -0.548 20 0 EBADRP CN(C(=O)CC[NH+](C)C)[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@@H]1O ZINC001049428852 734727754 /nfs/dbraw/zinc/72/77/54/734727754.db2.gz OVWLHTAGTTVSIT-KKUMJFAQSA-N 2 0 340.468 -0.548 20 0 EBADRP NC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3CCn4cncc4C3)C2)CC1 ZINC001050568612 734928013 /nfs/dbraw/zinc/92/80/13/734928013.db2.gz YFOBTCRQKWXUAW-ZDUSSCGKSA-N 2 0 331.420 -0.145 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[NH+]([C@@H]2CCC(=O)NC2=O)CC3)C1 ZINC001050754044 734954331 /nfs/dbraw/zinc/95/43/31/734954331.db2.gz NSSHDYKQKCQMDK-ZIAGYGMSSA-N 2 0 348.447 -0.332 20 0 EBADRP COc1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CCO2)nn1 ZINC001051493742 735196778 /nfs/dbraw/zinc/19/67/78/735196778.db2.gz QFIGINRYBHFMCR-LSDHHAIUSA-N 2 0 349.435 -0.104 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cnnn3C)C2)CC[N@@H+]1C ZINC001051624955 735272328 /nfs/dbraw/zinc/27/23/28/735272328.db2.gz WKMCQYLTMRLGOA-VHDGCEQUSA-N 2 0 336.440 -0.528 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](CCN3CCNC3=O)CC2)C1 ZINC001052934987 735724820 /nfs/dbraw/zinc/72/48/20/735724820.db2.gz OXAJEYWFPCUTGD-CABCVRRESA-N 2 0 337.468 -0.066 20 0 EBADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1[NH2+]CC(N)=O ZINC001054798344 736247611 /nfs/dbraw/zinc/24/76/11/736247611.db2.gz TUUFVZKIFWVUIE-OLZOCXBDSA-N 2 0 326.441 -0.733 20 0 EBADRP COCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001055495573 736358190 /nfs/dbraw/zinc/35/81/90/736358190.db2.gz ZOLWLVRFNILSFQ-MRXNPFEDSA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH+](C)CCC(=O)NC1CC[NH+](CCNC(=O)[C@H]2CCCO2)CC1 ZINC001055510131 736363036 /nfs/dbraw/zinc/36/30/36/736363036.db2.gz FJUWZGCTPSQILI-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP CSCC(=O)NCC[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001055510676 736363750 /nfs/dbraw/zinc/36/37/50/736363750.db2.gz MSLORPNOACZWJL-UHFFFAOYSA-N 2 0 330.498 -0.002 20 0 EBADRP CC(=O)NC1CC[NH+](CCNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001055622324 736409326 /nfs/dbraw/zinc/40/93/26/736409326.db2.gz FDXUVIRIMCAVSF-MRXNPFEDSA-N 2 0 340.468 -0.188 20 0 EBADRP CO[C@H](C)C(=O)NC1CC[NH+](CCNC(=O)CC[NH+](C)C)CC1 ZINC001055633639 736417299 /nfs/dbraw/zinc/41/72/99/736417299.db2.gz WWARRBIXPAJVBV-CYBMUJFWSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@]1(CO)CCCN(C(=O)CC[NH+](C)C)C1 ZINC001056081125 736631699 /nfs/dbraw/zinc/63/16/99/736631699.db2.gz ACDORYNENIWUER-KRWDZBQOSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001056106848 736643985 /nfs/dbraw/zinc/64/39/85/736643985.db2.gz XFJNKFUXURWGRW-PBHICJAKSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCN(CCO)C(=O)[C@H]1CCC[NH+]1C ZINC001057212687 737086451 /nfs/dbraw/zinc/08/64/51/737086451.db2.gz SOQVUABPVFXGRL-HUUCEWRRSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCCN(CCO)C(=O)[C@H]1CCC[NH+]1C ZINC001057212989 737086905 /nfs/dbraw/zinc/08/69/05/737086905.db2.gz BIEIYIWXCBSSSF-CQSZACIVSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@H]1CC[NH+](C)C1 ZINC001057636229 737376330 /nfs/dbraw/zinc/37/63/30/737376330.db2.gz OXWGGRYVVRPNID-AWEZNQCLSA-N 2 0 328.457 -0.783 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCN(CCO)C(=O)[C@H]1CC[NH+](C)C1 ZINC001057636708 737376668 /nfs/dbraw/zinc/37/66/68/737376668.db2.gz XIUYLPQHSITRCA-CABCVRRESA-N 2 0 340.468 -0.641 20 0 EBADRP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001057659027 737396257 /nfs/dbraw/zinc/39/62/57/737396257.db2.gz IDLHMWRBPNSEQH-UHFFFAOYSA-N 2 0 342.484 -0.393 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(CCO)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001057863058 737483634 /nfs/dbraw/zinc/48/36/34/737483634.db2.gz DILZQEZVQAKXHE-UHFFFAOYSA-N 2 0 342.484 -0.252 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001057864230 737485035 /nfs/dbraw/zinc/48/50/35/737485035.db2.gz HPDKLMHWFTXBOY-HUUCEWRRSA-N 2 0 342.484 -0.396 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001057876412 737495548 /nfs/dbraw/zinc/49/55/48/737495548.db2.gz JAGITKLKMQMOSG-INIZCTEOSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[C@H](C(=O)N(CCO)CCNC(=O)[C@H](C1CC1)[NH+](C)C)[NH+](C)C ZINC001057975036 737571563 /nfs/dbraw/zinc/57/15/63/737571563.db2.gz CRENJEFDEBEKSB-CABCVRRESA-N 2 0 342.484 -0.396 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)C1CC[NH+](C)CC1 ZINC001057992079 737581497 /nfs/dbraw/zinc/58/14/97/737581497.db2.gz XRQZUZXFWCIRCG-OAHLLOKOSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001058038826 737601098 /nfs/dbraw/zinc/60/10/98/737601098.db2.gz HPHOUUQUCXMTRX-HNNXBMFYSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC001058038957 737601246 /nfs/dbraw/zinc/60/12/46/737601246.db2.gz LKMHFFMNHWQRBW-LSDHHAIUSA-N 2 0 342.484 -0.252 20 0 EBADRP C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001058038938 737601359 /nfs/dbraw/zinc/60/13/59/737601359.db2.gz KTHUUAMYFAPNAN-HNNXBMFYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CCCC[NH+]1C ZINC001058039375 737602526 /nfs/dbraw/zinc/60/25/26/737602526.db2.gz YDUQSXZOKPWQAT-HUUCEWRRSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001058157530 737679617 /nfs/dbraw/zinc/67/96/17/737679617.db2.gz ANWWXQCFSQLDTH-HNNXBMFYSA-N 2 0 342.484 -0.393 20 0 EBADRP C[NH+]1CC[C@H](C(=O)NCCN(CCO)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001058159511 737683249 /nfs/dbraw/zinc/68/32/49/737683249.db2.gz MJVZVWZCWUMCFP-CABCVRRESA-N 2 0 340.468 -0.783 20 0 EBADRP CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)C ZINC001058169768 737691398 /nfs/dbraw/zinc/69/13/98/737691398.db2.gz JOYOVMVTUIQBSS-KFWWJZLASA-N 2 0 342.484 -0.396 20 0 EBADRP CC(C)[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001058251064 737734403 /nfs/dbraw/zinc/73/44/03/737734403.db2.gz UEEJHPKZCQDXHT-LSDHHAIUSA-N 2 0 342.484 -0.539 20 0 EBADRP CCC[NH+](C)CC(=O)N(CCO)CCNC(=O)CC[N@@H+](C)CCC ZINC001058254230 737736452 /nfs/dbraw/zinc/73/64/52/737736452.db2.gz ZTYLIYIHRIVRBG-UHFFFAOYSA-N 2 0 344.500 -0.003 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N(CCO)CCNC(=O)CC[NH+](C)C)CC[N@@H+]1C ZINC001058496997 737860902 /nfs/dbraw/zinc/86/09/02/737860902.db2.gz DGAFJGWUNJSWTF-GJZGRUSLSA-N 2 0 342.484 -0.395 20 0 EBADRP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)CCC[NH+]1CCCC1 ZINC001058709306 737960285 /nfs/dbraw/zinc/96/02/85/737960285.db2.gz PZAVXFHKRSBXTK-UHFFFAOYSA-N 2 0 342.484 -0.249 20 0 EBADRP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001058710609 737961423 /nfs/dbraw/zinc/96/14/23/737961423.db2.gz HPIJYOAYDOXDNA-OAHLLOKOSA-N 2 0 340.468 -0.783 20 0 EBADRP CC[C@H](C(=O)NCCN(CCO)C(=O)C[N@@H+]1CCC[C@@H]1C)[NH+](C)C ZINC001058843987 738023065 /nfs/dbraw/zinc/02/30/65/738023065.db2.gz QBNBVZIVAQVFAA-LSDHHAIUSA-N 2 0 342.484 -0.252 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001058845202 738025217 /nfs/dbraw/zinc/02/52/17/738025217.db2.gz HYIXCYRXRRYLKU-CABCVRRESA-N 2 0 340.468 -0.641 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)CCO1 ZINC001064977195 739455412 /nfs/dbraw/zinc/45/54/12/739455412.db2.gz CKCZCVQXFVBIQA-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001064978564 739457341 /nfs/dbraw/zinc/45/73/41/739457341.db2.gz VIIFHQOHJSUMJZ-UONOGXRCSA-N 2 0 326.441 -0.624 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001064978691 739458021 /nfs/dbraw/zinc/45/80/21/739458021.db2.gz XCJKYHZIYFCOLA-GJZGRUSLSA-N 2 0 338.452 -0.480 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)CCO1 ZINC001065169555 739574473 /nfs/dbraw/zinc/57/44/73/739574473.db2.gz NQXMZMZUVWPYHP-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)CCO1 ZINC001065169556 739574579 /nfs/dbraw/zinc/57/45/79/739574579.db2.gz NQXMZMZUVWPYHP-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001065256325 739616255 /nfs/dbraw/zinc/61/62/55/739616255.db2.gz JSELJCKKAFPENI-CABCVRRESA-N 2 0 340.468 -0.378 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001065409648 739693824 /nfs/dbraw/zinc/69/38/24/739693824.db2.gz MJLLXTRQQXKPCS-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001065535963 739748268 /nfs/dbraw/zinc/74/82/68/739748268.db2.gz SMGCYROPDCPTKS-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001065535965 739748618 /nfs/dbraw/zinc/74/86/18/739748618.db2.gz SMGCYROPDCPTKS-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001065540036 739750279 /nfs/dbraw/zinc/75/02/79/739750279.db2.gz KHDANRKEWBQSGW-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1)[NH+](C)C ZINC001065572749 739768971 /nfs/dbraw/zinc/76/89/71/739768971.db2.gz WQNPQYCGTHPXRV-GOEBONIOSA-N 2 0 342.484 -0.132 20 0 EBADRP C[NH+](C)CCC(=O)N1CC2(C1)CN(C(=O)CC[NH+](C)C)CCO2 ZINC001068456510 740331733 /nfs/dbraw/zinc/33/17/33/740331733.db2.gz SEXSYQLZEWXEST-UHFFFAOYSA-N 2 0 326.441 -0.670 20 0 EBADRP CC[C@@H](C(=O)N1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)CO2)[NH+](C)C ZINC001069012506 740522811 /nfs/dbraw/zinc/52/28/11/740522811.db2.gz FRBJLRVPOXWHED-KGLIPLIRSA-N 2 0 340.468 -0.236 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCc2cccc(N3CC[C@H]([NH2+]CCO)C3)n2)C1 ZINC001069841085 740586684 /nfs/dbraw/zinc/58/66/84/740586684.db2.gz ZYROFOCFBRVZED-ZBFHGGJFSA-N 2 0 347.463 -0.190 20 0 EBADRP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001070078087 740686069 /nfs/dbraw/zinc/68/60/69/740686069.db2.gz VBYSDZUQPNYDEV-KFWWJZLASA-N 2 0 348.451 -0.250 20 0 EBADRP CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@@H]1n1ccnn1 ZINC001070238365 740764601 /nfs/dbraw/zinc/76/46/01/740764601.db2.gz IAELAUNRQZXZSI-WCCAFZKYSA-N 2 0 346.435 -0.497 20 0 EBADRP C[NH+](C)CCC(=O)NC1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001070238886 740765103 /nfs/dbraw/zinc/76/51/03/740765103.db2.gz JXTRSHNNTIYLPM-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H]([NH2+]CCO)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001070260348 740771004 /nfs/dbraw/zinc/77/10/04/740771004.db2.gz DZDXPUPGQYLXER-XQLPTFJDSA-N 2 0 336.440 -0.658 20 0 EBADRP CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001070328369 740788095 /nfs/dbraw/zinc/78/80/95/740788095.db2.gz ZGCRYLSVCJLSPS-ZNMIVQPWSA-N 2 0 336.440 -0.392 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070505782 740851753 /nfs/dbraw/zinc/85/17/53/740851753.db2.gz IIQXVSZAVJMLMV-CFVMTHIKSA-N 2 0 348.451 -0.726 20 0 EBADRP Cn1cncc1[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CCO ZINC001070647910 740908734 /nfs/dbraw/zinc/90/87/34/740908734.db2.gz JPTUENDWYXKMEE-ARFHVFGLSA-N 2 0 347.463 -0.362 20 0 EBADRP Cn1cncc1[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CC(N)=O ZINC001070683534 740918872 /nfs/dbraw/zinc/91/88/72/740918872.db2.gz RRQLXWGSOOGPPR-ZIAGYGMSSA-N 2 0 348.451 -0.869 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1 ZINC001070689866 740920775 /nfs/dbraw/zinc/92/07/75/740920775.db2.gz TXLZFFZMCAFUHA-BFHYXJOUSA-N 2 0 348.451 -0.726 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cncn1C)C(N)=O ZINC001070718981 740927293 /nfs/dbraw/zinc/92/72/93/740927293.db2.gz NLJPQYPKDPWNNV-MGPQQGTHSA-N 2 0 348.451 -0.726 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071043082 741048200 /nfs/dbraw/zinc/04/82/00/741048200.db2.gz VICOFJWLQLSAAP-FMKPAKJESA-N 2 0 338.452 -0.448 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001071043083 741048282 /nfs/dbraw/zinc/04/82/82/741048282.db2.gz VICOFJWLQLSAAP-YCPHGPKFSA-N 2 0 338.452 -0.448 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001072432661 741398226 /nfs/dbraw/zinc/39/82/26/741398226.db2.gz LBFHVOIHHLDCDZ-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCN1C(=O)CCC1=O)C2 ZINC001072544688 741427054 /nfs/dbraw/zinc/42/70/54/741427054.db2.gz UMCPZEGSCGWYAL-AWEZNQCLSA-N 2 0 348.447 -0.236 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+]([C@H]1CCC(=O)NC1=O)C2 ZINC001072553670 741428811 /nfs/dbraw/zinc/42/88/11/741428811.db2.gz GWBCHYMNWYGBDK-QWHCGFSZSA-N 2 0 334.420 -0.580 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCN1C(=O)CNC1=O)C2 ZINC001072554809 741428880 /nfs/dbraw/zinc/42/88/80/741428880.db2.gz YUWVASMEQUDJRW-ZDUSSCGKSA-N 2 0 349.435 -0.833 20 0 EBADRP O=C(C[N@@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1)N1CCC1 ZINC001073130251 741567212 /nfs/dbraw/zinc/56/72/12/741567212.db2.gz QECLLZRFUDBSLR-UHFFFAOYSA-N 2 0 332.448 -0.151 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC2(C1)CC[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC001073430550 741613336 /nfs/dbraw/zinc/61/33/36/741613336.db2.gz HHTBGSXRTWNYNL-ZDUSSCGKSA-N 2 0 334.420 -0.578 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[NH+](CCCO)CCCO2)C1 ZINC001073740071 741728385 /nfs/dbraw/zinc/72/83/85/741728385.db2.gz BFELQJVXMADAPU-JKSUJKDBSA-N 2 0 343.468 -0.315 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CCCO)CCCO2)C1 ZINC001073740069 741728406 /nfs/dbraw/zinc/72/84/06/741728406.db2.gz BFELQJVXMADAPU-HZPDHXFCSA-N 2 0 343.468 -0.315 20 0 EBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1NC(=O)COCC[NH+](C)C ZINC001074080602 741826930 /nfs/dbraw/zinc/82/69/30/741826930.db2.gz UTJIQKBUPDXLJP-LSDHHAIUSA-N 2 0 342.484 -0.131 20 0 EBADRP C[NH+](C)CCC(=O)NCC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001074519994 741980160 /nfs/dbraw/zinc/98/01/60/741980160.db2.gz NOKVZZXEBNLVAQ-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001074565043 741999902 /nfs/dbraw/zinc/99/99/02/741999902.db2.gz PEXJZEZHKHDCTD-AVGNSLFASA-N 2 0 337.424 -0.789 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001074712917 742083155 /nfs/dbraw/zinc/08/31/55/742083155.db2.gz AGJJKWPNAVZKHX-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CCN3CCNC3=O)[C@@H]2C)C1 ZINC001074878310 742126493 /nfs/dbraw/zinc/12/64/93/742126493.db2.gz MSZYHAMBSOYKNA-KKUMJFAQSA-N 2 0 337.468 -0.068 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)[C@@H]1C)[NH+](C)C ZINC001074885760 742127321 /nfs/dbraw/zinc/12/73/21/742127321.db2.gz WAAZFPRRAUBRQT-IHRRRGAJSA-N 2 0 325.457 -0.069 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[C@H](C)NC(=O)COCC[NH+](C)C ZINC001076627774 742517979 /nfs/dbraw/zinc/51/79/79/742517979.db2.gz ZUQIRTPZAGMTSW-AWEZNQCLSA-N 2 0 330.473 -0.083 20 0 EBADRP C[C@@H](CCNC(=O)[C@@H](C1CC1)[NH+](C)C)NC(=O)COCC[NH+](C)C ZINC001076956014 742662198 /nfs/dbraw/zinc/66/21/98/742662198.db2.gz CXQOGPWVXBCYJE-XJKSGUPXSA-N 2 0 342.484 -0.084 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCNC(=O)COCC[NH+](C)C ZINC001077495510 743019958 /nfs/dbraw/zinc/01/99/58/743019958.db2.gz IHDPZYAYULGHHY-AWEZNQCLSA-N 2 0 330.473 -0.083 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]2O)CC1 ZINC001077618706 743121622 /nfs/dbraw/zinc/12/16/22/743121622.db2.gz PKFPDAIPOZBYLV-RRFJBIMHSA-N 2 0 348.451 -0.732 20 0 EBADRP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2O)cc1 ZINC001077680713 743166927 /nfs/dbraw/zinc/16/69/27/743166927.db2.gz UBWAXKBNVSEHNE-IAGOWNOFSA-N 2 0 335.448 -0.052 20 0 EBADRP Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001078356301 743602026 /nfs/dbraw/zinc/60/20/26/743602026.db2.gz HLLIPLSOFVPQCK-GJZGRUSLSA-N 2 0 336.440 -0.384 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCCO[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001078508857 743685301 /nfs/dbraw/zinc/68/53/01/743685301.db2.gz ZNEKHEXAXKIQCW-GJZGRUSLSA-N 2 0 338.452 -0.432 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CCC[NH+](CCN2CCNC2=O)C3)C1 ZINC000982150673 806411875 /nfs/dbraw/zinc/41/18/75/806411875.db2.gz PQTMSRKUIAJCJO-HNNXBMFYSA-N 2 0 349.479 -0.112 20 0 EBADRP NS(=O)(=O)CC[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397497775 803776621 /nfs/dbraw/zinc/77/66/21/803776621.db2.gz SARDNBSGCJJPFL-UHFFFAOYSA-N 2 0 327.450 -0.108 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000976868954 803922951 /nfs/dbraw/zinc/92/29/51/803922951.db2.gz KLCZXGQMMMUPAL-ZVDSWSACSA-N 2 0 346.475 -0.147 20 0 EBADRP O=C(N[C@@H]1[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000976870560 803924010 /nfs/dbraw/zinc/92/40/10/803924010.db2.gz PXXQKJGZWDEVQP-FICVDOATSA-N 2 0 344.459 -0.249 20 0 EBADRP O=C(NC[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21)[C@@H]1C[NH+]2CCC1CC2 ZINC000978197447 804720224 /nfs/dbraw/zinc/72/02/24/804720224.db2.gz MPBITJGIUVJBTC-VQHPVUNQSA-N 2 0 344.463 -0.086 20 0 EBADRP NC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC000978957914 805063282 /nfs/dbraw/zinc/06/32/82/805063282.db2.gz HKKJIKBGPRZTLR-PHZGNYQRSA-N 2 0 334.464 -0.112 20 0 EBADRP CCN1CC[C@@H]([N@H+]2C[C@@H]3[C@@H](CNC(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1=O ZINC000978960594 805064553 /nfs/dbraw/zinc/06/45/53/805064553.db2.gz MOKHVESCRCASNW-LVQVYYBASA-N 2 0 346.475 -0.003 20 0 EBADRP CN(C(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1)C1CC1 ZINC000979073400 805121621 /nfs/dbraw/zinc/12/16/21/805121621.db2.gz QOPUMDLTDBRQJZ-MIGQKNRLSA-N 2 0 334.464 -0.147 20 0 EBADRP Cn1ncnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000983717174 807088950 /nfs/dbraw/zinc/08/89/50/807088950.db2.gz YNDSNXUFECPPGO-TUVASFSCSA-N 2 0 348.451 -0.337 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC000984047178 807155841 /nfs/dbraw/zinc/15/58/41/807155841.db2.gz IBXBZGKHJMLDSE-SYQHCUMBSA-N 2 0 336.436 -0.240 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000984800550 807391214 /nfs/dbraw/zinc/39/12/14/807391214.db2.gz PZZUJFMKUGHSTA-JHJVBQTASA-N 2 0 336.440 -0.423 20 0 EBADRP C[N@H+](CC(N)=O)C1CCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000985543434 807534867 /nfs/dbraw/zinc/53/48/67/807534867.db2.gz ONRFLRSRAARCLA-TVIZTDCDSA-N 2 0 336.436 -0.742 20 0 EBADRP C[N@H+](C1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@H]1CCC(=O)NC1=O ZINC000985792004 807584490 /nfs/dbraw/zinc/58/44/90/807584490.db2.gz LVNDHRKKPXDDDA-AWEZNQCLSA-N 2 0 336.436 -0.190 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986815970 807783206 /nfs/dbraw/zinc/78/32/06/807783206.db2.gz TWMDUWDLPRQWEI-ZFWWWQNUSA-N 2 0 337.468 -0.068 20 0 EBADRP C[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989390982 808463849 /nfs/dbraw/zinc/46/38/49/808463849.db2.gz PVMBAFJOSBTBRV-ZFWWWQNUSA-N 2 0 337.468 -0.068 20 0 EBADRP C[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989684793 808556290 /nfs/dbraw/zinc/55/62/90/808556290.db2.gz XCUDALFXFWPMHI-QWHCGFSZSA-N 2 0 349.435 -0.787 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000990519967 808822368 /nfs/dbraw/zinc/82/23/68/808822368.db2.gz UWJDODWYJPUTPH-TYTGLVAOSA-N 2 0 348.447 -0.729 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000990523064 808824868 /nfs/dbraw/zinc/82/48/68/808824868.db2.gz KQSLFBXQWYQINB-HIFRSBDPSA-N 2 0 338.452 -0.624 20 0 EBADRP C[C@@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001215599066 810337823 /nfs/dbraw/zinc/33/78/23/810337823.db2.gz PMLMGFXBXGTGCS-HZSPNIEDSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@H](COCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001215599067 810337974 /nfs/dbraw/zinc/33/79/74/810337974.db2.gz PMLMGFXBXGTGCS-MGPQQGTHSA-N 2 0 326.441 -0.591 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001216225595 810364272 /nfs/dbraw/zinc/36/42/72/810364272.db2.gz HKRNCTJIXXROSX-CHWSQXEVSA-N 2 0 339.440 -0.684 20 0 EBADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001216383782 810371164 /nfs/dbraw/zinc/37/11/64/810371164.db2.gz PTZFVJHRZSRKRH-MGPQQGTHSA-N 2 0 346.497 -0.686 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001216507314 810375722 /nfs/dbraw/zinc/37/57/22/810375722.db2.gz VDGFRGHVHCDEPC-ZIAGYGMSSA-N 2 0 348.513 -0.296 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001216754193 810385480 /nfs/dbraw/zinc/38/54/80/810385480.db2.gz KJDPZOBZRKOFON-ZIAGYGMSSA-N 2 0 346.435 -0.053 20 0 EBADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1CC[NH2+]C[C@@H]1F ZINC001218064986 810474525 /nfs/dbraw/zinc/47/45/25/810474525.db2.gz CEIRBTSFVVKESQ-IUCAKERBSA-N 2 0 342.371 -0.161 20 0 EBADRP COc1nc(Cl)cc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)n1 ZINC001218519495 810498602 /nfs/dbraw/zinc/49/86/02/810498602.db2.gz WYPPICAFRSDYPZ-VIFPVBQESA-N 2 0 328.804 -0.173 20 0 EBADRP CCOC(=O)c1snc(C(N)=O)c1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218553492 810502861 /nfs/dbraw/zinc/50/28/61/810502861.db2.gz CYKPGIDUJVVGKN-ZETCQYMHSA-N 2 0 343.409 -0.187 20 0 EBADRP CN1CCN(c2cc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])ncn2)CC1 ZINC001218572605 810506287 /nfs/dbraw/zinc/50/62/87/810506287.db2.gz KATZMWIDOGZINU-NSHDSACASA-N 2 0 339.469 -0.814 20 0 EBADRP COc1nc(Cl)ncc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218634334 810513908 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20 0 EBADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)C1=NO[C@@H]2C[NH2+]C[C@H]12 ZINC001218880611 810539801 /nfs/dbraw/zinc/53/98/01/810539801.db2.gz ZLKGWGDJOMLMSX-GXTWGEPZSA-N 2 0 343.387 -0.355 20 0 EBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc2c(c1)CC[NH2+]CC2 ZINC001218938978 810547972 /nfs/dbraw/zinc/54/79/72/810547972.db2.gz YVULLMJMAKGNGT-HZMBPMFUSA-N 2 0 347.419 -0.979 20 0 EBADRP COc1cc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c(C(N)=O)cc1OC ZINC001218968451 810549339 /nfs/dbraw/zinc/54/93/39/810549339.db2.gz HCKGIXGADAVPIK-BMLIUANNSA-N 2 0 348.403 -0.060 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH+](CCN3C(=O)CCC3=O)C2)C1 ZINC001015999821 810648929 /nfs/dbraw/zinc/64/89/29/810648929.db2.gz XBQPOQLTCUMGJW-ZIAGYGMSSA-N 2 0 336.436 -0.332 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC001016252084 810712852 /nfs/dbraw/zinc/71/28/52/810712852.db2.gz QYUHCOODMJYUGM-CABCVRRESA-N 2 0 338.452 -0.744 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@H]([NH3+])CCC[NH3+])NC(=O)[C@]21CC[NH2+]C1 ZINC001219497415 810721411 /nfs/dbraw/zinc/72/14/11/810721411.db2.gz CBIXAWFJYFBPAO-DIFFPNOSSA-N 3 0 347.419 -0.117 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@@H]1C[C@@H]([NH3+])CN1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219504412 810726776 /nfs/dbraw/zinc/72/67/76/810726776.db2.gz TXPWIINFQIAQKF-IJPZITHUSA-N 2 0 345.403 -0.494 20 0 EBADRP NC(=O)NCCC[C@H]([NH3+])C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2 ZINC001219534450 810741229 /nfs/dbraw/zinc/74/12/29/810741229.db2.gz YIALMNAFUAKQFS-GBIKHYSHSA-N 2 0 333.392 -0.151 20 0 EBADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001033663661 810781092 /nfs/dbraw/zinc/78/10/92/810781092.db2.gz XDYWSBVZMKNHFN-STQMWFEESA-N 2 0 337.424 -0.977 20 0 EBADRP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001033663222 810781548 /nfs/dbraw/zinc/78/15/48/810781548.db2.gz UPLOKBFIAUHKBD-KGLIPLIRSA-N 2 0 336.436 -0.380 20 0 EBADRP CC(C)OCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643081 810782954 /nfs/dbraw/zinc/78/29/54/810782954.db2.gz DXBFKTXHYPUPPR-XHSDSOJGSA-N 2 0 325.453 -0.086 20 0 EBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)C1 ZINC001219637832 810782999 /nfs/dbraw/zinc/78/29/99/810782999.db2.gz IAHGAPGETBLJBC-AVGNSLFASA-N 2 0 333.440 -0.714 20 0 EBADRP NC1(C(=O)NCCC2(O)C[NH2+]C2)CC[NH+](Cc2ccccc2)CC1 ZINC001219697313 810799983 /nfs/dbraw/zinc/79/99/83/810799983.db2.gz RSAKHGRMIJACDK-UHFFFAOYSA-N 2 0 332.448 -0.180 20 0 EBADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)[C@H](c1cc2ccccc2[nH]1)N1CC[NH2+]CC1 ZINC001219713975 810805029 /nfs/dbraw/zinc/80/50/29/810805029.db2.gz BSKWFUVOWWNEBR-ZACQAIPSSA-N 2 0 343.431 -0.437 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CC(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219739257 810817130 /nfs/dbraw/zinc/81/71/30/810817130.db2.gz KIVIICNSGGBIIQ-JYJNAYRXSA-N 2 0 333.432 -0.198 20 0 EBADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001219737016 810817722 /nfs/dbraw/zinc/81/77/22/810817722.db2.gz MSMSNHVHQBWSJS-ZIAGYGMSSA-N 2 0 345.447 -0.371 20 0 EBADRP COc1cccc(C[C@H]([NH3+])C(=O)NCc2nnc3n2CCC[NH2+]C3)c1 ZINC001219749747 810824228 /nfs/dbraw/zinc/82/42/28/810824228.db2.gz QNBANBFYGYSPKD-AWEZNQCLSA-N 2 0 344.419 -0.034 20 0 EBADRP N[C@H](C[NH3+])c1ccc(C(=O)NCc2nnc3n2CCC[NH2+]C3)cc1 ZINC001219751824 810825120 /nfs/dbraw/zinc/82/51/20/810825120.db2.gz XLVNXVHFXZGCOX-CYBMUJFWSA-N 2 0 329.408 -0.340 20 0 EBADRP O=C(C[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)NCc1nnc2n1CCC[NH2+]C2 ZINC001219750255 810825365 /nfs/dbraw/zinc/82/53/65/810825365.db2.gz ZBCHWLWKLDRSTG-GUYCJALGSA-N 2 0 348.451 -0.064 20 0 EBADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001219765889 810830874 /nfs/dbraw/zinc/83/08/74/810830874.db2.gz GSBHJVFLXMQEHS-LTIDMASMSA-N 2 0 335.496 -0.387 20 0 EBADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)c1cccnc1N1CC[NH2+]CC1 ZINC001219766163 810831546 /nfs/dbraw/zinc/83/15/46/810831546.db2.gz NDVOPFOISDEIOS-CABCVRRESA-N 2 0 344.463 -0.485 20 0 EBADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219796103 810845246 /nfs/dbraw/zinc/84/52/46/810845246.db2.gz MSCQKVLPLLUYHD-HZPDHXFCSA-N 3 0 338.452 -0.530 20 0 EBADRP CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219796101 810845412 /nfs/dbraw/zinc/84/54/12/810845412.db2.gz MSCQKVLPLLUYHD-CVEARBPZSA-N 3 0 338.452 -0.530 20 0 EBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219799820 810848473 /nfs/dbraw/zinc/84/84/73/810848473.db2.gz DGRRIAOEFIAOEC-NEPJUHHUSA-N 2 0 330.454 -0.975 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCc1cc(=O)n2c(n1)CNCCC2 ZINC001219807587 810854752 /nfs/dbraw/zinc/85/47/52/810854752.db2.gz JJRAYCXRENBBSA-LBPRGKRZSA-N 2 0 337.424 -0.505 20 0 EBADRP C[N@H+](CC(=O)N[C@@H]1CN(CC(=O)N2CCCC2)C[C@@H]1O)C1CCC1 ZINC001219812197 810856756 /nfs/dbraw/zinc/85/67/56/810856756.db2.gz RIWGZWXERVPVRB-CABCVRRESA-N 2 0 338.452 -0.746 20 0 EBADRP [NH3+][C@H](CC(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)Cc1ccncc1 ZINC001219833716 810868365 /nfs/dbraw/zinc/86/83/65/810868365.db2.gz HSYUGQCWILDIAJ-BQFCYCMXSA-N 2 0 348.447 -0.147 20 0 EBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001219833235 810868878 /nfs/dbraw/zinc/86/88/78/810868878.db2.gz AXCMXHMYGOEWEM-WWGRRREGSA-N 2 0 325.409 -0.981 20 0 EBADRP [NH3+][C@H](C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)C1CCOCC1 ZINC001219837239 810870623 /nfs/dbraw/zinc/87/06/23/810870623.db2.gz IFFCKOIDQOIXTI-NOLJZWGESA-N 2 0 327.425 -0.748 20 0 EBADRP O=C(COC1CC[NH2+]CC1)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219836740 810870910 /nfs/dbraw/zinc/87/09/10/810870910.db2.gz DLDJCJCHFQCJCU-BBRMVZONSA-N 2 0 327.425 -0.734 20 0 EBADRP [NH3+]C1(C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)Cc2ccccc2C1 ZINC001219838633 810871375 /nfs/dbraw/zinc/87/13/75/810871375.db2.gz SKVAYJHSVHEZAL-KDOFPFPSSA-N 2 0 345.443 -0.006 20 0 EBADRP [NH3+][C@H](C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)C1CCC(O)CC1 ZINC001219839151 810872268 /nfs/dbraw/zinc/87/22/68/810872268.db2.gz XUQYOZJZTYGRJS-ZNOUWTSMSA-N 2 0 341.452 -0.624 20 0 EBADRP O=C(C[C@@H]1CC[NH2+]C[C@@H]1F)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219839358 810872474 /nfs/dbraw/zinc/87/24/74/810872474.db2.gz YWZACXLOJYWOJW-YXWQFLTLSA-N 2 0 329.416 -0.165 20 0 EBADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1cncc2c1CC[NH2+]C2 ZINC001219843812 810874636 /nfs/dbraw/zinc/87/46/36/810874636.db2.gz DBZARZURXZEDGL-SCLBCKFNSA-N 2 0 346.431 -0.148 20 0 EBADRP N[C@@H](C[NH3+])c1ccc(C(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)cc1 ZINC001219844974 810875529 /nfs/dbraw/zinc/87/55/29/810875529.db2.gz STSPMCCYLUUMMW-OWQGQXMQSA-N 2 0 348.447 -0.230 20 0 EBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852085 810879215 /nfs/dbraw/zinc/87/92/15/810879215.db2.gz LJBILARSXBWXBG-ZQDZILKHSA-N 2 0 326.441 -0.639 20 0 EBADRP O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)C1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001219852306 810879393 /nfs/dbraw/zinc/87/93/93/810879393.db2.gz QHVJYQZWGPMMFC-LUKYLMHMSA-N 2 0 336.480 -0.199 20 0 EBADRP [NH3+][C@H](C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)C1CCC2(CC1)OCCO2 ZINC001219856469 810880314 /nfs/dbraw/zinc/88/03/14/810880314.db2.gz NVWXOIHTRJWJAD-RQJABVFESA-N 2 0 325.409 -0.650 20 0 EBADRP CSCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)NCC[NH3+] ZINC001219872580 810889744 /nfs/dbraw/zinc/88/97/44/810889744.db2.gz NPDXDIDQGNKELF-KBPBESRZSA-N 2 0 338.477 -0.131 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN([C@@H]2CCCNC2=O)C[C@@H]1O ZINC001219902385 810902872 /nfs/dbraw/zinc/90/28/72/810902872.db2.gz ALBWHECOAJRDSI-UPJWGTAASA-N 2 0 326.441 -0.843 20 0 EBADRP COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](O)C1 ZINC001219923209 810909182 /nfs/dbraw/zinc/90/91/82/810909182.db2.gz XEEZCCOJNDVMGJ-BMFZPTHFSA-N 2 0 348.403 -0.575 20 0 EBADRP O=C(NCc1cccnc1C1CC[NH2+]CC1)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001219929921 810912009 /nfs/dbraw/zinc/91/20/09/810912009.db2.gz UMTOPLTXLUZZTN-MRXNPFEDSA-N 2 0 343.431 -0.357 20 0 EBADRP CS(=O)(=O)N(C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1)c1ccc(C[NH3+])cc1 ZINC001219938822 810917284 /nfs/dbraw/zinc/91/72/84/810917284.db2.gz GGXJGHJTCLHOPZ-FPMFFAJLSA-N 2 0 338.433 -0.612 20 0 EBADRP CCOC(=O)c1nnc(CNC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)o1 ZINC001220011600 810947445 /nfs/dbraw/zinc/94/74/45/810947445.db2.gz ZTSLBATVHOJAEE-JTQLQIEISA-N 2 0 327.385 -0.078 20 0 EBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC001220064226 810966908 /nfs/dbraw/zinc/96/69/08/810966908.db2.gz WKJSUODUGUGFCB-AVGNSLFASA-N 2 0 341.456 -0.926 20 0 EBADRP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)CCCC1 ZINC001220077970 810973555 /nfs/dbraw/zinc/97/35/55/810973555.db2.gz CZYIGEJITRZXIG-CABCVRRESA-N 2 0 343.468 -0.579 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1cc(OC2COC2)ccn1 ZINC001220187127 811009871 /nfs/dbraw/zinc/00/98/71/811009871.db2.gz YUAWBCKCOYZSHO-ZDUSSCGKSA-N 2 0 326.422 -0.505 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@@H]2O)CC1 ZINC001220229042 811025801 /nfs/dbraw/zinc/02/58/01/811025801.db2.gz JZDDCUGHTOVJDO-ZNMIVQPWSA-N 2 0 325.453 -0.084 20 0 EBADRP COC(=O)[C@]1(NC(=O)[C@H]2C[NH2+]CCN2)CC[N@H+](Cc2ccccc2)C1 ZINC001220228483 811026765 /nfs/dbraw/zinc/02/67/65/811026765.db2.gz ODTGZRUVIKBJJG-QAPCUYQASA-N 2 0 346.431 -0.518 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220238232 811032625 /nfs/dbraw/zinc/03/26/25/811032625.db2.gz QPBWMDVOHUYTFX-ZNMIVQPWSA-N 2 0 340.468 -0.594 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC001220282811 811045666 /nfs/dbraw/zinc/04/56/66/811045666.db2.gz NQWFJZSAQNCEOX-AVGNSLFASA-N 2 0 326.441 -0.402 20 0 EBADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)N[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)cc1 ZINC001220320251 811055969 /nfs/dbraw/zinc/05/59/69/811055969.db2.gz MCMSEOFJFLEJIN-MPGHIAIKSA-N 2 0 346.431 -0.317 20 0 EBADRP CCOC(=O)C1(NC(=O)CCCCNC(N)=[NH2+])CC[NH+](C)CC1 ZINC001220345311 811063599 /nfs/dbraw/zinc/06/35/99/811063599.db2.gz GRYXWBYBURFCFU-UHFFFAOYSA-N 2 0 327.429 -0.217 20 0 EBADRP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@@H](O)C1 ZINC001220373002 811076748 /nfs/dbraw/zinc/07/67/48/811076748.db2.gz VHZJQTFFSONBOS-UAGQMJEPSA-N 2 0 335.448 -0.297 20 0 EBADRP COC(=O)C[C@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)C(=O)OC(C)(C)C ZINC001220379302 811082637 /nfs/dbraw/zinc/08/26/37/811082637.db2.gz PPDMVVXCWHZNPP-QWRGUYRKSA-N 2 0 341.408 -0.815 20 0 EBADRP COCC[N@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387564 811085132 /nfs/dbraw/zinc/08/51/32/811085132.db2.gz LKYXQJWXNWENLY-KFWWJZLASA-N 2 0 329.441 -0.705 20 0 EBADRP O=C(C[C@H]1CN(Cc2ccccc2)CC[NH2+]1)NC[C@H]1COCC[NH2+]1 ZINC001220429461 811104771 /nfs/dbraw/zinc/10/47/71/811104771.db2.gz RYALQXDDADOCBS-IRXDYDNUSA-N 2 0 332.448 -0.045 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001220431913 811105760 /nfs/dbraw/zinc/10/57/60/811105760.db2.gz SRZHHRIPNHVPCT-IAGOWNOFSA-N 2 0 344.459 -0.187 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)c1ccc2c(c1)[C@H]1C[NH2+]C[C@@H]1NC2=O ZINC001220431579 811106188 /nfs/dbraw/zinc/10/61/88/811106188.db2.gz KGPYUXREJGBYJH-DFBGVHRSSA-N 2 0 330.388 -0.796 20 0 EBADRP CSc1nc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cc(=O)n1C ZINC001220436382 811107086 /nfs/dbraw/zinc/10/70/86/811107086.db2.gz VHDPKELSFVKSDE-JTQLQIEISA-N 2 0 340.453 -0.809 20 0 EBADRP NC(=[NH2+])N(C(=O)[C@H]1C[NH2+]C[C@@H]1N)c1ccc(N2CCOCC2)cc1 ZINC001220460606 811116936 /nfs/dbraw/zinc/11/69/36/811116936.db2.gz SPZYGKXMXVMKMN-KBPBESRZSA-N 2 0 332.408 -0.704 20 0 EBADRP NC(=[NH2+])N(C(=O)[C@H]1C[NH2+]C[C@@H]1O)c1ccc(N2CCOCC2)cc1 ZINC001220460203 811116987 /nfs/dbraw/zinc/11/69/87/811116987.db2.gz DUZDWAKIMASLON-KBPBESRZSA-N 2 0 333.392 -0.670 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCOCCOCCOCCOC ZINC001220512255 811131598 /nfs/dbraw/zinc/13/15/98/811131598.db2.gz JANAIMNISSENGO-HNNXBMFYSA-N 2 0 349.472 -0.484 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1[NH2+]CCN1CCNC1=O ZINC001036267442 811131664 /nfs/dbraw/zinc/13/16/64/811131664.db2.gz PPEFANKEIYUMOG-CABCVRRESA-N 2 0 349.479 -0.066 20 0 EBADRP COC(=O)C[C@@H](NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)c1cccnc1 ZINC001220530784 811143346 /nfs/dbraw/zinc/14/33/46/811143346.db2.gz XFSHFCLWCIIJOU-HUUCEWRRSA-N 2 0 349.435 -0.448 20 0 EBADRP CCOC(=O)[C@H](Cc1ccccn1)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220565585 811157660 /nfs/dbraw/zinc/15/76/60/811157660.db2.gz NVEFYKHQZKICBY-QIIPPGSGSA-N 2 0 346.431 -0.129 20 0 EBADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COC)C[C@@H]1O ZINC001220568267 811158589 /nfs/dbraw/zinc/15/85/89/811158589.db2.gz DRBKXLGUSMMGLU-OAGGEKHMSA-N 2 0 345.484 -0.333 20 0 EBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220651944 811189824 /nfs/dbraw/zinc/18/98/24/811189824.db2.gz RZJREIZPSWRJCV-PSLXWICFSA-N 2 0 338.477 -0.192 20 0 EBADRP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C2)cn1 ZINC001220688639 811201604 /nfs/dbraw/zinc/20/16/04/811201604.db2.gz NPXVFNAVOUSLBK-CVEARBPZSA-N 2 0 337.468 -0.051 20 0 EBADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)CN(CC[NH3+])S(C)(=O)=O)C2 ZINC001220716455 811217342 /nfs/dbraw/zinc/21/73/42/811217342.db2.gz IANQOBAMKKWTFP-XYYAHUGASA-N 2 0 332.470 -0.662 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001220768643 811234576 /nfs/dbraw/zinc/23/45/76/811234576.db2.gz WPRXLOSACQGVHW-KFWWJZLASA-N 2 0 329.441 -0.848 20 0 EBADRP O=C(NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001220791416 811243484 /nfs/dbraw/zinc/24/34/84/811243484.db2.gz XVUJJUDVEMUWJT-CFVMTHIKSA-N 2 0 329.404 -0.674 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220793612 811245160 /nfs/dbraw/zinc/24/51/60/811245160.db2.gz FVYAHPKXRSUQCR-PVAVHDDUSA-N 3 0 346.479 -0.401 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])CCCCNC(C)=O)C[NH2+]C1 ZINC001220830444 811259217 /nfs/dbraw/zinc/25/92/17/811259217.db2.gz XGFMDCYZYXNIMI-LBPRGKRZSA-N 2 0 326.397 -0.843 20 0 EBADRP CCOC(=O)C1(NC(=O)[C@H]([NH3+])CCC(=O)OC(C)(C)C)C[NH2+]C1 ZINC001220851273 811266687 /nfs/dbraw/zinc/26/66/87/811266687.db2.gz OJOAVMZTCKQODN-SNVBAGLBSA-N 2 0 329.397 -0.543 20 0 EBADRP CCOC(=O)C1(NC(=O)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C[NH2+]C1 ZINC001220851247 811267408 /nfs/dbraw/zinc/26/74/08/811267408.db2.gz NPCOANQSZWJLCA-KBPBESRZSA-N 2 0 335.404 -0.671 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220889363 811283405 /nfs/dbraw/zinc/28/34/05/811283405.db2.gz JSRPHGJCKOANDJ-RDBSUJKOSA-N 2 0 340.468 -0.012 20 0 EBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220900377 811286655 /nfs/dbraw/zinc/28/66/55/811286655.db2.gz IJTULLWMXNLPFG-GJZGRUSLSA-N 2 0 337.468 -0.874 20 0 EBADRP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220936056 811301549 /nfs/dbraw/zinc/30/15/49/811301549.db2.gz BZBKRDMGMIHIIW-CABCVRRESA-N 2 0 335.404 -0.058 20 0 EBADRP COc1ccc(CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)nc1OC ZINC001220955991 811310998 /nfs/dbraw/zinc/31/09/98/811310998.db2.gz SSNSFKVBAUPBAT-ZDUSSCGKSA-N 2 0 337.424 -0.535 20 0 EBADRP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091065 811372868 /nfs/dbraw/zinc/37/28/68/811372868.db2.gz AKIWWPRINAHSOR-XHSDSOJGSA-N 2 0 345.484 -0.479 20 0 EBADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221124179 811385461 /nfs/dbraw/zinc/38/54/61/811385461.db2.gz YUZUPIUOBOKYSB-HUUCEWRRSA-N 2 0 332.404 -0.072 20 0 EBADRP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001221248150 811426036 /nfs/dbraw/zinc/42/60/36/811426036.db2.gz LAUDNWHHQZJQLO-DZGCQCFKSA-N 2 0 341.477 -0.198 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCCCC[NH3+] ZINC001221347784 811445249 /nfs/dbraw/zinc/44/52/49/811445249.db2.gz ANUCTSVCDYCCHS-STQMWFEESA-N 2 0 328.457 -0.025 20 0 EBADRP C[NH+](C)CC1CCC(NC(=O)CN(CC[NH3+])S(C)(=O)=O)CC1 ZINC001221402264 811450354 /nfs/dbraw/zinc/45/03/54/811450354.db2.gz BJQTYIFDPNTHCZ-UHFFFAOYSA-N 2 0 334.486 -0.557 20 0 EBADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)[C@H](C)C1 ZINC001221408515 811452506 /nfs/dbraw/zinc/45/25/06/811452506.db2.gz JYTFNPCXDUEEAJ-FVQBIDKESA-N 3 0 325.501 -0.028 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@H]2CC[N@@H+](CCOCCO)C[C@H]21 ZINC001221555692 811487941 /nfs/dbraw/zinc/48/79/41/811487941.db2.gz TWRMFKUOSICNFN-IXDOHACOSA-N 2 0 337.464 -0.130 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001221789162 811536056 /nfs/dbraw/zinc/53/60/56/811536056.db2.gz IJTOKXVFFUQOAN-BZUAXINKSA-N 2 0 335.452 -0.272 20 0 EBADRP COCCOC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221791276 811537132 /nfs/dbraw/zinc/53/71/32/811537132.db2.gz DWEIOUXKFVPWGS-OWCLPIDISA-N 2 0 343.468 -0.505 20 0 EBADRP [NH3+]CCNC(=O)c1cccc(CN2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC001222507099 811637619 /nfs/dbraw/zinc/63/76/19/811637619.db2.gz LOZWHDRBRRQTCP-IRXDYDNUSA-N 2 0 331.464 -0.099 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001222613398 811648103 /nfs/dbraw/zinc/64/81/03/811648103.db2.gz ZRFZADQWQXYLRL-AAEUAGOBSA-N 2 0 339.440 -0.508 20 0 EBADRP CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001079802355 811728623 /nfs/dbraw/zinc/72/86/23/811728623.db2.gz FSAUJTCLMMDWLY-AWEZNQCLSA-N 2 0 340.468 -0.424 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224346990 811758816 /nfs/dbraw/zinc/75/88/16/811758816.db2.gz VOKWODYDBJIPOO-LLVKDONJSA-N 2 0 327.429 -0.650 20 0 EBADRP C[NH+](C)CCC(=O)NCC1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC001224346351 811759187 /nfs/dbraw/zinc/75/91/87/811759187.db2.gz HPPXVLQTNLFUHJ-UHFFFAOYSA-N 2 0 334.486 -0.685 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC001225251677 811800258 /nfs/dbraw/zinc/80/02/58/811800258.db2.gz FZUNOFUETJIVHW-LBPRGKRZSA-N 2 0 341.456 -0.260 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001225578186 811819185 /nfs/dbraw/zinc/81/91/85/811819185.db2.gz RJUPNXIJEMQMFT-AWEZNQCLSA-N 2 0 338.452 -0.040 20 0 EBADRP CC(=O)NCCOCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001226553899 811869767 /nfs/dbraw/zinc/86/97/67/811869767.db2.gz FFJCWAJBCMZGQQ-MRXNPFEDSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)C1(C(=O)NC2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)CCC1 ZINC001227807300 811942683 /nfs/dbraw/zinc/94/26/83/811942683.db2.gz QRNXXRBNUXDCCQ-CYBMUJFWSA-N 2 0 336.436 -0.144 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1)C1CC1 ZINC001227817872 811943803 /nfs/dbraw/zinc/94/38/03/811943803.db2.gz NSQOAHXQLYKYIB-UKRRQHHQSA-N 2 0 336.436 -0.288 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001228355695 811976411 /nfs/dbraw/zinc/97/64/11/811976411.db2.gz RQBNEWBGYISLAJ-CHWSQXEVSA-N 2 0 334.486 -0.496 20 0 EBADRP CCN(C(=O)CCC[NH+](C)C)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001080383328 812005458 /nfs/dbraw/zinc/00/54/58/812005458.db2.gz ZDSHIYVXIJJYAH-UHFFFAOYSA-N 2 0 342.484 -0.034 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)COC1CC[NH+](C)CC1)C(N)=O ZINC001229388754 812029630 /nfs/dbraw/zinc/02/96/30/812029630.db2.gz IMSDJBDNUAIWIB-BPLDGKMQSA-N 2 0 340.468 -0.012 20 0 EBADRP COC[C@H](O)C[NH+]1CCC(NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001229807440 812056578 /nfs/dbraw/zinc/05/65/78/812056578.db2.gz SZYQXYCPCARSGZ-OAHLLOKOSA-N 2 0 343.468 -0.315 20 0 EBADRP C[C@@H](C(=O)N(C)C)[NH+]1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001230048769 812072416 /nfs/dbraw/zinc/07/24/16/812072416.db2.gz RTSVRTRRYSJMKV-ZDUSSCGKSA-N 2 0 328.457 -0.378 20 0 EBADRP C[NH+](C)CCC(=O)NC1(CO)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001080989085 812428134 /nfs/dbraw/zinc/42/81/34/812428134.db2.gz MFUCZRIIYHGOIP-UHFFFAOYSA-N 2 0 328.457 -0.641 20 0 EBADRP [NH3+]CCNC(=O)c1cccc(CN2CCO[C@@]3(C2)C[NH2+]CCOC3)c1 ZINC001234997815 812459060 /nfs/dbraw/zinc/45/90/60/812459060.db2.gz LFBVTTVZDCSHMT-GOSISDBHSA-N 2 0 348.447 -0.434 20 0 EBADRP COc1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cnc1OC ZINC001236307162 812515773 /nfs/dbraw/zinc/51/57/73/812515773.db2.gz CUOKUPFNLCGFFB-UHFFFAOYSA-N 2 0 339.440 -0.285 20 0 EBADRP COc1cc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(F)cn1 ZINC001236310814 812516638 /nfs/dbraw/zinc/51/66/38/812516638.db2.gz CAIYHGZTKKYSPF-UHFFFAOYSA-N 2 0 327.404 -0.155 20 0 EBADRP COC(=O)[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)nc2)C[C@H]1[NH3+] ZINC001236355126 812518853 /nfs/dbraw/zinc/51/88/53/812518853.db2.gz OXPMRLHVSBYSGY-HUUCEWRRSA-N 2 0 333.436 -0.235 20 0 EBADRP O=S(=O)(Nc1ccc(N2CC[NH2+]CC2)nc1)C1CC[NH2+]CC1 ZINC001237476814 812521010 /nfs/dbraw/zinc/52/10/10/812521010.db2.gz BMCSFDITYZTINU-UHFFFAOYSA-N 2 0 325.438 -0.015 20 0 EBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCO[C@]2(C1)C[NH2+]CCOC2 ZINC001239022620 812539166 /nfs/dbraw/zinc/53/91/66/812539166.db2.gz AUWVZZYTZBDVFV-AWEZNQCLSA-N 2 0 333.454 -0.993 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)c1ccc(F)cc1 ZINC001239132007 812546806 /nfs/dbraw/zinc/54/68/06/812546806.db2.gz YFVNULGRDRERIW-UHFFFAOYSA-N 2 0 346.428 -0.370 20 0 EBADRP C[NH+](C)CC(=O)N[C@@H]1CCCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001239147366 812550095 /nfs/dbraw/zinc/55/00/95/812550095.db2.gz UCTLCHBOIFOMAS-CQSZACIVSA-N 2 0 346.497 -0.542 20 0 EBADRP S=C(NCC[NH+]1CCCCC1)N1CCNCC[NH2+]CCNCC1 ZINC001239439537 812553220 /nfs/dbraw/zinc/55/32/20/812553220.db2.gz RTBVTDFRTMOCSQ-UHFFFAOYSA-N 2 0 342.557 -0.569 20 0 EBADRP O[C@@H](C[NH2+][C@H]1CCN(C2CC[NH2+]CC2)C1)CC1(O)CC[NH2+]CC1 ZINC001246007453 812558323 /nfs/dbraw/zinc/55/83/23/812558323.db2.gz UALISJYDRCEANF-GOEBONIOSA-N 3 0 326.485 -0.732 20 0 EBADRP [NH3+]CCCOCCOCCOCCC[NH2+]C[C@]1(O)CCC[NH2+]C1 ZINC001245983798 812558765 /nfs/dbraw/zinc/55/87/65/812558765.db2.gz JHJJYNQELMNJMP-INIZCTEOSA-N 3 0 333.473 -0.521 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCOC2(C[NH2+]C2)C1 ZINC001246023195 812559419 /nfs/dbraw/zinc/55/94/19/812559419.db2.gz MEGCFBDBRCNMDV-LSDHHAIUSA-N 2 0 327.375 -0.130 20 0 EBADRP CCOC(=O)[C@@]12CN(C[C@@]3(O)CCC[NH2+]C3)C[C@@H]1C[NH2+]CCC2 ZINC001246031485 812559725 /nfs/dbraw/zinc/55/97/25/812559725.db2.gz QPESXWJIWUBMKE-UAGQMJEPSA-N 2 0 325.453 -0.034 20 0 EBADRP O=S(=O)(CC[NH2+][C@@H]1CCC[C@]2(CC[NH2+]C2)C1)N1CCNCC1 ZINC001246099284 812564647 /nfs/dbraw/zinc/56/46/47/812564647.db2.gz GMSXKJDEBJXFCY-CABCVRRESA-N 2 0 330.498 -0.267 20 0 EBADRP O=C([C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]3[NH2+]CCO[C@H]32)CN1)N1CCSC1 ZINC001246149573 812567196 /nfs/dbraw/zinc/56/71/96/812567196.db2.gz KDLKNFYFNWHJGY-RMEBNNNOSA-N 2 0 340.493 -0.394 20 0 EBADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCNCC[NH3+])CCN1C(=O)c1ccccc1 ZINC001246402862 812571554 /nfs/dbraw/zinc/57/15/54/812571554.db2.gz BUVPEPCCPLUYGN-CVEARBPZSA-N 2 0 348.447 -0.029 20 0 EBADRP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCCC2)CCN1 ZINC001246518836 812575043 /nfs/dbraw/zinc/57/50/43/812575043.db2.gz KHAPQDAWDOVUCF-KKUMJFAQSA-N 2 0 340.468 -0.010 20 0 EBADRP COC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3[C@H]4C[NH2+]C[C@H]4C[C@]3(C(=O)OC)C2)CN1 ZINC001246675365 812581036 /nfs/dbraw/zinc/58/10/36/812581036.db2.gz XGLWMNXKCXRFTD-WFTXNEMLSA-N 2 0 337.420 -0.780 20 0 EBADRP O=C([C@@H]1COC[C@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21)N1CCCC1 ZINC001246706901 812581234 /nfs/dbraw/zinc/58/12/34/812581234.db2.gz SUECBXKGIMJTSN-QBPKDAKJSA-N 2 0 348.491 -0.103 20 0 EBADRP CN(C)C(=O)[C@@H]1CCO[C@@H]2CC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21 ZINC001246707030 812581248 /nfs/dbraw/zinc/58/12/48/812581248.db2.gz YJGJGQQESBVDGF-ZJIFWQFVSA-N 2 0 336.480 -0.104 20 0 EBADRP C[C@H]1CC[C@H](N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)C[NH2+]1 ZINC001246740197 812584632 /nfs/dbraw/zinc/58/46/32/812584632.db2.gz UZZLVOPUYOCSSY-STQMWFEESA-N 2 0 341.481 -0.069 20 0 EBADRP Cn1cc(N2C[C@@]3(CC[N@@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)C3)CC2=O)cn1 ZINC001246738094 812584948 /nfs/dbraw/zinc/58/49/48/812584948.db2.gz FKYBOLKSGPHGBD-PBHICJAKSA-N 2 0 344.463 -0.057 20 0 EBADRP Cn1cc(N2C[C@@H]3C[N@@H+]([C@H]4CCNC5(C[NH2+]C5)C4)C[C@@H]3C2=O)cn1 ZINC001246802554 812589298 /nfs/dbraw/zinc/58/92/98/812589298.db2.gz NRKTWHNVIMLRLG-YDHLFZDLSA-N 2 0 330.436 -0.591 20 0 EBADRP COC(=O)[C@@H]1CC[C@H]([N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)CN1 ZINC001246842229 812590075 /nfs/dbraw/zinc/59/00/75/812590075.db2.gz XNMKQAYFWOCASU-KBPBESRZSA-N 2 0 326.441 -0.624 20 0 EBADRP COCCN([C@H]1CC[NH2+]C1)[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246929420 812593359 /nfs/dbraw/zinc/59/33/59/812593359.db2.gz OLSQCWGPCNGXJX-IHRRRGAJSA-N 2 0 328.482 -0.440 20 0 EBADRP COCCN([C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)[C@H]1CCC[NH2+]C1 ZINC001246927116 812593483 /nfs/dbraw/zinc/59/34/83/812593483.db2.gz GAMGRPWCRKMCKI-ZNMIVQPWSA-N 2 0 342.509 -0.050 20 0 EBADRP CCOC(=O)[C@H]1C[N@@H+]([C@H]2CN[C@H](C(=O)OC)C2)CCC12C[NH2+]C2 ZINC001247008128 812595430 /nfs/dbraw/zinc/59/54/30/812595430.db2.gz LRNOKBYRTOBWEG-UPJWGTAASA-N 2 0 325.409 -0.636 20 0 EBADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1[C@@H]1CCC[C@@]12CC[NH2+]C2)O3 ZINC001247012949 812595653 /nfs/dbraw/zinc/59/56/53/812595653.db2.gz VJJFWGFQONCRJJ-MRLBHPIUSA-N 2 0 327.450 -0.337 20 0 EBADRP CCOC(=O)[C@@H]1C[N@@H+]([C@H]2CN[C@@H](C(=O)OC)C2)CCC12C[NH2+]C2 ZINC001247008123 812595668 /nfs/dbraw/zinc/59/56/68/812595668.db2.gz LRNOKBYRTOBWEG-FRRDWIJNSA-N 2 0 325.409 -0.636 20 0 EBADRP O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1C1CCC2(C[NH2+]C2)CC1)O3 ZINC001247013845 812595740 /nfs/dbraw/zinc/59/57/40/812595740.db2.gz ZNHWXENGJCJBEC-IPYPFGDCSA-N 2 0 327.450 -0.337 20 0 EBADRP C[NH+]1CCN(c2cc[nH+]cc2NC[C@@H](O)CN2CCOCC2)CC1 ZINC001251008939 812613639 /nfs/dbraw/zinc/61/36/39/812613639.db2.gz BDOWZQMBGIUQJS-OAHLLOKOSA-N 2 0 335.452 -0.062 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001252815908 812666359 /nfs/dbraw/zinc/66/63/59/812666359.db2.gz WRFVOBCSMRFPPX-QLFBSQMISA-N 2 0 329.441 -0.895 20 0 EBADRP C[N@@H+]1CC[C@@H](N(Cc2ncn3c2C[NH2+]CCC3)S(C)(=O)=O)C1 ZINC001255430568 812713859 /nfs/dbraw/zinc/71/38/59/812713859.db2.gz ZQKCJWKQFRFVRD-GFCCVEGCSA-N 2 0 327.454 -0.158 20 0 EBADRP COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+]CCN1CC[NH+](C)CC1 ZINC001257913041 812773448 /nfs/dbraw/zinc/77/34/48/812773448.db2.gz IPLRHVDBPMVTFH-CQSZACIVSA-N 2 0 349.497 -0.420 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001262033867 813029493 /nfs/dbraw/zinc/02/94/93/813029493.db2.gz LAYMUETWAQDODB-XJKSGUPXSA-N 2 0 348.447 -0.277 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)C[C@H]1C[NH+](C)C ZINC001262072888 813033728 /nfs/dbraw/zinc/03/37/28/813033728.db2.gz BOWYQLGPISDKIW-KBUPBQIOSA-N 3 0 339.484 -0.962 20 0 EBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC001262542428 813090877 /nfs/dbraw/zinc/09/08/77/813090877.db2.gz ZYKKNHILOBCAPY-LSDHHAIUSA-N 2 0 339.484 -0.485 20 0 EBADRP [NH3+]CCN1CCC[C@@H](C(=O)N[C@H]2C[NH2+]CC3(CCOCC3)C2)C1=O ZINC001263187193 813108826 /nfs/dbraw/zinc/10/88/26/813108826.db2.gz COGHYWALMVFFAA-KGLIPLIRSA-N 2 0 338.452 -0.541 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001263878198 813133054 /nfs/dbraw/zinc/13/30/54/813133054.db2.gz PYEBNDRJFUMGCD-IHRRRGAJSA-N 2 0 346.497 -0.638 20 0 EBADRP CS(=O)(=O)NCC[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH]cn2)C1 ZINC001263920282 813134609 /nfs/dbraw/zinc/13/46/09/813134609.db2.gz ZJBHZEYWSPYILN-NWDGAFQWSA-N 2 0 343.453 -0.624 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](O)C1 ZINC001081553974 813168756 /nfs/dbraw/zinc/16/87/56/813168756.db2.gz PZDNWGAQJGRSEZ-HUUCEWRRSA-N 2 0 342.484 -0.396 20 0 EBADRP CC(C)[NH+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001081554600 813170775 /nfs/dbraw/zinc/17/07/75/813170775.db2.gz XIZUQYZLGHAPPZ-CABCVRRESA-N 2 0 342.484 -0.398 20 0 EBADRP C[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)CC(=O)N1CCOCC1 ZINC001265058472 813231769 /nfs/dbraw/zinc/23/17/69/813231769.db2.gz VLIUFASETYUFQE-HNNXBMFYSA-N 2 0 340.468 -0.375 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001265073060 813236285 /nfs/dbraw/zinc/23/62/85/813236285.db2.gz OIPWOWWKOGUGGT-CYBMUJFWSA-N 2 0 341.456 -0.116 20 0 EBADRP C[C@H](O)C[NH+]1CCN(CCCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001265253433 813277620 /nfs/dbraw/zinc/27/76/20/813277620.db2.gz PSIZFLBXRRZHIS-HOTGVXAUSA-N 2 0 326.485 -0.167 20 0 EBADRP C[NH+](C)CCCCC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081632691 813331050 /nfs/dbraw/zinc/33/10/50/813331050.db2.gz RJLCORBOYQLANK-GJZGRUSLSA-N 2 0 342.484 -0.395 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001265503072 813333006 /nfs/dbraw/zinc/33/30/06/813333006.db2.gz ICPOJBANNXHJPH-HAQNSBGRSA-N 2 0 327.429 -0.589 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCS(C)(=O)=O)C1 ZINC001265690927 813358804 /nfs/dbraw/zinc/35/88/04/813358804.db2.gz AHBRXFKGIQPXGP-UONOGXRCSA-N 2 0 331.482 -0.047 20 0 EBADRP C[N@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CC(=O)NC(N)=O ZINC001265871680 813393629 /nfs/dbraw/zinc/39/36/29/813393629.db2.gz DMBTZKYOJQYSBT-STQMWFEESA-N 2 0 339.440 -0.364 20 0 EBADRP CS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001265947303 813423802 /nfs/dbraw/zinc/42/38/02/813423802.db2.gz DWZMAEICJZPBTD-AWEZNQCLSA-N 2 0 346.497 -0.398 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCCS(C)(=O)=O)C1 ZINC001266004368 813437405 /nfs/dbraw/zinc/43/74/05/813437405.db2.gz DCOQUGASXCXHBZ-UONOGXRCSA-N 2 0 331.482 -0.047 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001081700764 813438675 /nfs/dbraw/zinc/43/86/75/813438675.db2.gz LAYKAGUSJSKNPA-HUUCEWRRSA-N 2 0 342.484 -0.395 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001266037127 813444564 /nfs/dbraw/zinc/44/45/64/813444564.db2.gz KSAOWAPNBJBPEH-CQSZACIVSA-N 2 0 346.497 -0.540 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001266125554 813462567 /nfs/dbraw/zinc/46/25/67/813462567.db2.gz FDXXJJUAQPZPHA-YPMHNXCESA-N 2 0 339.440 -0.365 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C1CC1)[C@@H]1CCC(=O)NC1=O ZINC001266125567 813462865 /nfs/dbraw/zinc/46/28/65/813462865.db2.gz FMSTTZNYXLIALQ-UONOGXRCSA-N 2 0 336.436 -0.144 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001266125551 813463228 /nfs/dbraw/zinc/46/32/28/813463228.db2.gz FDXXJJUAQPZPHA-AAEUAGOBSA-N 2 0 339.440 -0.365 20 0 EBADRP C[NH+](C)CCCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081732167 813486975 /nfs/dbraw/zinc/48/69/75/813486975.db2.gz DNQATCPZBIGQIC-LSDHHAIUSA-N 2 0 342.484 -0.395 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081736654 813494364 /nfs/dbraw/zinc/49/43/64/813494364.db2.gz YQUCNMFPJOIGDQ-UONOGXRCSA-N 2 0 328.457 -0.786 20 0 EBADRP CC[NH+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001081774930 813542941 /nfs/dbraw/zinc/54/29/41/813542941.db2.gz VZTSECREEUGBSF-LSDHHAIUSA-N 2 0 342.484 -0.395 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001266599336 813618426 /nfs/dbraw/zinc/61/84/26/813618426.db2.gz HJHHWYYOLWSIGT-XUXIUFHCSA-N 2 0 336.436 -0.097 20 0 EBADRP CN(CC[NH2+]CC(=O)NC(=O)NC1CC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001266988036 813720720 /nfs/dbraw/zinc/72/07/20/813720720.db2.gz CMRSRZXGFFPYHS-LBPRGKRZSA-N 2 0 339.440 -0.636 20 0 EBADRP CC[C@@H](C(=O)N(C)CC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)[NH+](C)C ZINC001266989090 813722437 /nfs/dbraw/zinc/72/24/37/813722437.db2.gz SDNITEHJPUSIOD-KGLIPLIRSA-N 2 0 348.513 -0.344 20 0 EBADRP O=C(NCC[NH2+]CCO)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267002602 813730011 /nfs/dbraw/zinc/73/00/11/813730011.db2.gz PJKBPHOBEJUTMT-AWEZNQCLSA-N 2 0 338.452 -0.981 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001267069452 813751241 /nfs/dbraw/zinc/75/12/41/813751241.db2.gz WVLQNBLKXHNQIZ-UONOGXRCSA-N 2 0 336.436 -0.475 20 0 EBADRP O=C(NC[C@@H]1CCC[N@H+]1CCOCCO)[C@@H]1C[NH+]2CCC1CC2 ZINC001267266260 813810451 /nfs/dbraw/zinc/81/04/51/813810451.db2.gz CBVPJADKWYJRCG-JKSUJKDBSA-N 2 0 325.453 -0.082 20 0 EBADRP CC(=O)NCCOCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267280382 813818678 /nfs/dbraw/zinc/81/86/78/813818678.db2.gz ADDXGKMEILETTA-JKSUJKDBSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCCC(=O)NCC[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001267563886 813931223 /nfs/dbraw/zinc/93/12/23/813931223.db2.gz HTZFIMXPYDSLBG-UONOGXRCSA-N 2 0 338.452 -0.038 20 0 EBADRP C[NH+](C)CCCC(=O)NCC[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001267563887 813931955 /nfs/dbraw/zinc/93/19/55/813931955.db2.gz HTZFIMXPYDSLBG-ZIAGYGMSSA-N 2 0 338.452 -0.038 20 0 EBADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001082827954 814013267 /nfs/dbraw/zinc/01/32/67/814013267.db2.gz JCMLSTSPNMROSX-BPLDGKMQSA-N 2 0 338.452 -0.578 20 0 EBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C)C(N)=O ZINC001082829031 814013412 /nfs/dbraw/zinc/01/34/12/814013412.db2.gz YYSQNQBLKCHDMH-MBNYWOFBSA-N 2 0 326.441 -0.593 20 0 EBADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001082862097 814017667 /nfs/dbraw/zinc/01/76/67/814017667.db2.gz YRMMYWHFKWVWDZ-FRRDWIJNSA-N 2 0 336.440 -0.613 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001267969441 814080332 /nfs/dbraw/zinc/08/03/32/814080332.db2.gz HJQVPPSOFMQSFJ-ZIAGYGMSSA-N 2 0 336.436 -0.332 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267971259 814081310 /nfs/dbraw/zinc/08/13/10/814081310.db2.gz RWHRESXURABFRW-ZIAGYGMSSA-N 2 0 346.497 -0.542 20 0 EBADRP C[C@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268092150 814122415 /nfs/dbraw/zinc/12/24/15/814122415.db2.gz BLCXGDLTQBOIBL-CHWSQXEVSA-N 2 0 334.486 -0.686 20 0 EBADRP C[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083234953 814225389 /nfs/dbraw/zinc/22/53/89/814225389.db2.gz FFTXSUMWBBJMRU-CWRNSKLLSA-N 2 0 341.452 -0.610 20 0 EBADRP Cn1nccc1CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083275172 814255179 /nfs/dbraw/zinc/25/51/79/814255179.db2.gz RLMJTEHCZXLXKE-BHYGNILZSA-N 2 0 347.463 -0.174 20 0 EBADRP CCN(CC[NH2+]CC(=O)Nc1cnccn1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268497290 814265546 /nfs/dbraw/zinc/26/55/46/814265546.db2.gz KFWGTEZGFOUJLQ-CYBMUJFWSA-N 2 0 334.424 -0.195 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268591260 814308820 /nfs/dbraw/zinc/30/88/20/814308820.db2.gz PQCLILOSDOLUCF-PCAWENJQSA-N 2 0 325.413 -0.954 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CCN2CCNC2=O)CC[N@@H+]1C ZINC001268687025 814351854 /nfs/dbraw/zinc/35/18/54/814351854.db2.gz WNKUWZGMTZHAMO-MELADBBJSA-N 2 0 325.457 -0.164 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001268795384 814389205 /nfs/dbraw/zinc/38/92/05/814389205.db2.gz ISNGGXORZMXYSU-CHWSQXEVSA-N 2 0 341.456 -0.118 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCCN2C(=O)CNC2=O)C1 ZINC001269097310 814531416 /nfs/dbraw/zinc/53/14/16/814531416.db2.gz ZMBVUTXBDPHAHB-ZDUSSCGKSA-N 2 0 339.440 -0.541 20 0 EBADRP C[NH+](C)CCc1ccccc1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001083668722 814675595 /nfs/dbraw/zinc/67/55/95/814675595.db2.gz CTHQLPCQBZFHRA-SJORKVTESA-N 2 0 335.448 -0.052 20 0 EBADRP CC(C)[C@@H](C(=O)NCC1([NH2+]CCN2C(=O)CCC2=O)CC1)[NH+](C)C ZINC001269523160 814718629 /nfs/dbraw/zinc/71/86/29/814718629.db2.gz YZBNNSUFUAHOML-HNNXBMFYSA-N 2 0 338.452 -0.040 20 0 EBADRP C[NH+](C)CCN1C(=O)COCC12CN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001269552154 814723896 /nfs/dbraw/zinc/72/38/96/814723896.db2.gz YGQZFOLRFMLHTE-CQSZACIVSA-N 2 0 338.452 -0.528 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(C)c3)C[C@@H]2O)CC[N@@H+]1C ZINC001083727168 814733654 /nfs/dbraw/zinc/73/36/54/814733654.db2.gz OHLXAKRTQVQAIV-LLLHUVSDSA-N 2 0 349.479 -0.146 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@]2(CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001269735640 815584119 /nfs/dbraw/zinc/58/41/19/815584119.db2.gz BYXUHMYTWGNYFL-CXAGYDPISA-N 2 0 336.436 -0.332 20 0 EBADRP C[C@@H](C(=O)N1C[C@@]2(F)C(=O)N(CC[NH+](C)C)C[C@@]2(F)C1)[NH+](C)C ZINC001269796667 815608595 /nfs/dbraw/zinc/60/85/95/815608595.db2.gz IMLAINLEMJTBTA-NILFDRSVSA-N 2 0 332.395 -0.401 20 0 EBADRP CS(=O)(=O)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001270050820 815674395 /nfs/dbraw/zinc/67/43/95/815674395.db2.gz PKSNSWVLGVJZJL-LSDHHAIUSA-N 2 0 343.493 -0.047 20 0 EBADRP Cn1cc(CC[N@H+]2C[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H](O)C2)cn1 ZINC001083953951 815736267 /nfs/dbraw/zinc/73/62/67/815736267.db2.gz DTENDUCADAGTSL-IMJJTQAJSA-N 2 0 335.452 -0.534 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(CO)cc3)C[C@@H]2O)C1 ZINC001084053756 815797647 /nfs/dbraw/zinc/79/76/47/815797647.db2.gz JSDHRGRBKXHXJG-BBWFWOEESA-N 2 0 333.432 -0.208 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001270921017 815932041 /nfs/dbraw/zinc/93/20/41/815932041.db2.gz DHFZHOIWIFQQSP-CHWSQXEVSA-N 2 0 334.486 -0.544 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC001084831689 815991244 /nfs/dbraw/zinc/99/12/44/815991244.db2.gz WLENLTZFNMFRAL-HZSPNIEDSA-N 2 0 349.435 -0.977 20 0 EBADRP C[C@H](C[NH2+]CCS(C)(=O)=O)N(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001271208393 816035458 /nfs/dbraw/zinc/03/54/58/816035458.db2.gz QDAWTSXNSRLHKF-UONOGXRCSA-N 2 0 349.497 -0.564 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001086047207 816213728 /nfs/dbraw/zinc/21/37/28/816213728.db2.gz INMJXMFKTKPJAV-MJBXVCDLSA-N 2 0 336.436 -0.286 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1)C(N)=O ZINC001086088715 816227218 /nfs/dbraw/zinc/22/72/18/816227218.db2.gz NDNDBLBZUJRCCF-UPJWGTAASA-N 2 0 336.440 -0.584 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1)C(N)=O ZINC001086369053 816309499 /nfs/dbraw/zinc/30/94/99/816309499.db2.gz NDNDBLBZUJRCCF-JHJVBQTASA-N 2 0 336.440 -0.584 20 0 EBADRP Cn1cc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)nn1 ZINC001086373304 816311571 /nfs/dbraw/zinc/31/15/71/816311571.db2.gz SLKXMMPXSSKGIK-SDADXPQNSA-N 2 0 348.451 -0.337 20 0 EBADRP CCn1nnc(C)c1C[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001272129769 816320906 /nfs/dbraw/zinc/32/09/06/816320906.db2.gz PRZFJLMQUILRDT-AWEZNQCLSA-N 2 0 338.456 -0.389 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)nc1=O ZINC001086465710 816348008 /nfs/dbraw/zinc/34/80/08/816348008.db2.gz QSIURPRKFGIQBH-AULYBMBSSA-N 2 0 336.440 -0.565 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086477889 816350823 /nfs/dbraw/zinc/35/08/23/816350823.db2.gz BOKSFBIYRWGFIJ-ZQDZILKHSA-N 2 0 337.468 -0.306 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)nc1=O ZINC001086533904 816364918 /nfs/dbraw/zinc/36/49/18/816364918.db2.gz GRNCOABSLSEBKY-HAQNSBGRSA-N 2 0 334.424 -0.811 20 0 EBADRP C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1CC2(C1)CC[NH+](Cc1cccc(=O)[nH]1)C2 ZINC001272273676 816380334 /nfs/dbraw/zinc/38/03/34/816380334.db2.gz VOAODTPMGOLAJK-GJZGRUSLSA-N 2 0 346.431 -0.114 20 0 EBADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001087100882 816465759 /nfs/dbraw/zinc/46/57/59/816465759.db2.gz JJVMKLGYBWPGCM-QLFBSQMISA-N 2 0 338.452 -0.576 20 0 EBADRP O=C(NC[C@H](O)C[NH2+]CCn1cc(Cl)cn1)C12CC[NH+](CC1)C2 ZINC001272559428 816475470 /nfs/dbraw/zinc/47/54/70/816475470.db2.gz IKNYSAYRQNFOIM-CYBMUJFWSA-N 2 0 341.843 -0.301 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001272984530 816564167 /nfs/dbraw/zinc/56/41/67/816564167.db2.gz GTEOTPPGFRORDT-NSHDSACASA-N 2 0 327.429 -0.732 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001272984527 816564257 /nfs/dbraw/zinc/56/42/57/816564257.db2.gz GTEOTPPGFRORDT-LLVKDONJSA-N 2 0 327.429 -0.732 20 0 EBADRP C[C@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001273019317 816568557 /nfs/dbraw/zinc/56/85/57/816568557.db2.gz VHJCJMIAEZIWBY-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001273070089 816579469 /nfs/dbraw/zinc/57/94/69/816579469.db2.gz QXEINZHOUDPPCA-WTXIUTQJSA-N 2 0 341.452 -0.215 20 0 EBADRP C[C@@H](CC[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)C[NH+]1CCCC1 ZINC001273182955 816601620 /nfs/dbraw/zinc/60/16/20/816601620.db2.gz GBSFPWDORVICPL-LBPRGKRZSA-N 2 0 339.440 -0.445 20 0 EBADRP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001088046439 816609743 /nfs/dbraw/zinc/60/97/43/816609743.db2.gz UQRHNVBXGFJFTM-PLQZLIEUSA-N 2 0 335.448 -0.378 20 0 EBADRP CN(C)C(=O)CC[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273838059 816780643 /nfs/dbraw/zinc/78/06/43/816780643.db2.gz JUHYNOPZVYLGRW-QGZVFWFLSA-N 2 0 340.468 -0.423 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001273910332 816806611 /nfs/dbraw/zinc/80/66/11/816806611.db2.gz PEJIXCVKLVEOTH-RXNFCKPNSA-N 2 0 325.413 -0.812 20 0 EBADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001274209181 816895860 /nfs/dbraw/zinc/89/58/60/816895860.db2.gz YPFFKBPBVBCCNC-OCCSQVGLSA-N 2 0 346.497 -0.544 20 0 EBADRP CN1CCN(C(=O)N2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)CC1 ZINC001274243165 816907885 /nfs/dbraw/zinc/90/78/85/816907885.db2.gz YVKVWTLXWCOCAY-KRWDZBQOSA-N 2 0 337.468 -0.018 20 0 EBADRP COC(=O)[C@H](O)C[NH+]1CCC2(CCC(=O)N(CC[NH+](C)C)C2)CC1 ZINC001274604097 817030761 /nfs/dbraw/zinc/03/07/61/817030761.db2.gz ODVDUDPZYQGYTB-CQSZACIVSA-N 2 0 341.452 -0.214 20 0 EBADRP COC(=O)[C@H](O)C[NH+]1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001274604974 817032762 /nfs/dbraw/zinc/03/27/62/817032762.db2.gz XWJATEJPSQZRCM-CYBMUJFWSA-N 2 0 327.425 -0.604 20 0 EBADRP CC[NH+](CC)C[C@@H](O)CN1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274656895 817060738 /nfs/dbraw/zinc/06/07/38/817060738.db2.gz SNYFRMPDJYMPNS-OAHLLOKOSA-N 2 0 342.484 -0.836 20 0 EBADRP C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CC4C(=O)N=CNC4=O)CC3)[C@H]2C1 ZINC001275273100 817185807 /nfs/dbraw/zinc/18/58/07/817185807.db2.gz FSRANKUOWWSNJD-JQWIXIFHSA-N 2 0 333.392 -0.470 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001090272472 817214331 /nfs/dbraw/zinc/21/43/31/817214331.db2.gz PFBGYUAZONHBEP-ZFWWWQNUSA-N 2 0 339.440 -0.744 20 0 EBADRP C[C@@H]([NH2+]CCN1C(=O)CCC1=O)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001275471564 817225648 /nfs/dbraw/zinc/22/56/48/817225648.db2.gz SWUGLJKXSLRBNU-OLZOCXBDSA-N 2 0 338.452 -0.040 20 0 EBADRP C[C@H](C[N@H+](C)[C@@H]1CCC(=O)NC1=O)NC(=O)CC1CC[NH+](C)CC1 ZINC001275665284 817267457 /nfs/dbraw/zinc/26/74/57/817267457.db2.gz GLAWDDYEQNPFLH-TZMCWYRMSA-N 2 0 338.452 -0.040 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)CCN1C(=O)CCC1=O ZINC001276011035 817338308 /nfs/dbraw/zinc/33/83/08/817338308.db2.gz KQMCJCFAUANKQV-ZDUSSCGKSA-N 2 0 326.441 -0.088 20 0 EBADRP C[C@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)C(=O)NC(N)=O ZINC001276075995 817354353 /nfs/dbraw/zinc/35/43/53/817354353.db2.gz HKWUKDRKWNVBJJ-NWDGAFQWSA-N 2 0 327.429 -0.508 20 0 EBADRP Cn1cc(C[N@@H+]2C[C@@H]3C[C@H]2CN(CC[NH+](C)C)C3)c(=O)n(C)c1=O ZINC001276321335 817385280 /nfs/dbraw/zinc/38/52/80/817385280.db2.gz GBXRKAIOPDPHKJ-HIFRSBDPSA-N 2 0 335.452 -0.848 20 0 EBADRP Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001276616387 817440400 /nfs/dbraw/zinc/44/04/00/817440400.db2.gz BXMWBNXAYDIHFU-STQMWFEESA-N 2 0 347.419 -0.162 20 0 EBADRP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001276625894 817441865 /nfs/dbraw/zinc/44/18/65/817441865.db2.gz HTYUKNWMPPLIDL-KGLIPLIRSA-N 2 0 337.424 -0.357 20 0 EBADRP Cn1ncnc1C(=O)N1CCO[C@H]2C[N@H+](CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001276695854 817453750 /nfs/dbraw/zinc/45/37/50/817453750.db2.gz DHXJYDPRKOXGIE-GJZGRUSLSA-N 2 0 348.451 -0.318 20 0 EBADRP CN(C)S(=O)(=O)N1[C@H]2COC[C@@H]1CN(CC1CC[NH+](C)CC1)C2 ZINC001276696879 817454968 /nfs/dbraw/zinc/45/49/68/817454968.db2.gz XZUDAHWANXYTRF-GASCZTMLSA-N 2 0 346.497 -0.480 20 0 EBADRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2CC1CCN(S(C)(=O)=O)CC1 ZINC001276714155 817458989 /nfs/dbraw/zinc/45/89/89/817458989.db2.gz XTLJHZBYLXJOFM-IYBDPMFKSA-N 2 0 344.525 -0.022 20 0 EBADRP C[NH+]1CCC(NC(=O)[C@H]2CC23C[NH+](CCN2CCOCC2)C3)CC1 ZINC001277023593 817511931 /nfs/dbraw/zinc/51/19/31/817511931.db2.gz ZQAGSOBSQNANHX-MRXNPFEDSA-N 2 0 336.480 -0.149 20 0 EBADRP C[N@H+](CC(=O)NCC1([NH2+]CCN2C(=O)CCC2=O)CC1)C1CCC1 ZINC001277080862 817518947 /nfs/dbraw/zinc/51/89/47/817518947.db2.gz YBQPOFPJCBAFGF-UHFFFAOYSA-N 2 0 336.436 -0.142 20 0 EBADRP C[NH+](C)CCNC(=S)N1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001277452025 817571889 /nfs/dbraw/zinc/57/18/89/817571889.db2.gz NOEJYWITWRRFPY-OKILXGFUSA-N 2 0 329.514 -0.631 20 0 EBADRP C[NH+](C)CCNC(=S)N1CC[N@H+](C)C[C@@]2(CCCC(=O)N2)C1 ZINC001277452995 817572852 /nfs/dbraw/zinc/57/28/52/817572852.db2.gz YRXGQGZHAUTBHH-HNNXBMFYSA-N 2 0 327.498 -0.291 20 0 EBADRP CN1CCC[C@@H]([N@H+](C)CCOCCNC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001277542590 817596543 /nfs/dbraw/zinc/59/65/43/817596543.db2.gz VWDJRWWCILWLEI-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP CC(=O)NCCOCCN1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001277682747 817623681 /nfs/dbraw/zinc/62/36/81/817623681.db2.gz WBYKPJDQQHXNRM-HNNXBMFYSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+]1CCC(NC(=O)C2=NO[C@@H]3C[N@H+](CC4CC[NH2+]CC4)C[C@H]23)CC1 ZINC001277821102 817640054 /nfs/dbraw/zinc/64/00/54/817640054.db2.gz DHJJWQOHNNWIEM-JKSUJKDBSA-N 3 0 349.479 -0.117 20 0 EBADRP CC(=O)NCCOCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001277824116 817641261 /nfs/dbraw/zinc/64/12/61/817641261.db2.gz TWHBESDYWIQCER-JKSUJKDBSA-N 2 0 340.468 -0.186 20 0 EBADRP CN(C)C(=O)CN1CC[C@H]2[C@@H]1CC[N@@H+]2CCCN1CC[NH+](C)CC1 ZINC001278117458 817703685 /nfs/dbraw/zinc/70/36/85/817703685.db2.gz RQIMMSVDFNJRML-IRXDYDNUSA-N 2 0 337.512 -0.139 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@H]1C ZINC001278324253 817741679 /nfs/dbraw/zinc/74/16/79/817741679.db2.gz FCKNXORHGPTTNN-OLZOCXBDSA-N 2 0 339.440 -0.543 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001278582362 817783147 /nfs/dbraw/zinc/78/31/47/817783147.db2.gz KYRMKYWNTBDSKC-UKRRQHHQSA-N 2 0 346.497 -0.685 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CCN2CCNC2=O)C1 ZINC001091100596 817880234 /nfs/dbraw/zinc/88/02/34/817880234.db2.gz ZHJKDOJXBJWYDK-YMAMQOFZSA-N 2 0 337.468 -0.020 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)nc1=O ZINC001091326298 817960613 /nfs/dbraw/zinc/96/06/13/817960613.db2.gz GRNCOABSLSEBKY-UHFFFAOYSA-N 2 0 334.424 -0.811 20 0 EBADRP CCNC(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001279736757 817978909 /nfs/dbraw/zinc/97/89/09/817978909.db2.gz FQOZLEPXXMTPRE-CABCVRRESA-N 2 0 340.468 -0.450 20 0 EBADRP O=C([C@H]1CCC[C@@H]2CCC[N@@H+]21)N1CCC(O)(C[NH2+]CCO)CC1 ZINC001281635333 818239632 /nfs/dbraw/zinc/23/96/32/818239632.db2.gz QUXMAZZWDHPNJQ-HUUCEWRRSA-N 2 0 325.453 -0.061 20 0 EBADRP COCCCC[NH+]1CCC(CO)(NC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001281799247 818279735 /nfs/dbraw/zinc/27/97/35/818279735.db2.gz BRXSIWJOGVNXSM-HNNXBMFYSA-N 2 0 343.468 -0.313 20 0 EBADRP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1O)[NH+](C)C ZINC001281935893 818320936 /nfs/dbraw/zinc/32/09/36/818320936.db2.gz VFYUXZFCVHSOAX-ILXRZTDVSA-N 2 0 342.484 -0.254 20 0 EBADRP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@@H](C)[NH2+]CCN1C(=O)CCC1=O ZINC001282185779 818373316 /nfs/dbraw/zinc/37/33/16/818373316.db2.gz QZQHQVUTFSGVQM-CHWSQXEVSA-N 2 0 338.452 -0.040 20 0 EBADRP CN(C(=O)CC[NH+](C)C)C1CCC([NH2+]CCNS(C)(=O)=O)CC1 ZINC001282269323 818383348 /nfs/dbraw/zinc/38/33/48/818383348.db2.gz CYHYGMBEWNXURO-UHFFFAOYSA-N 2 0 348.513 -0.154 20 0 EBADRP C[C@H](CCC[NH2+]CCN1C(=O)CCC1=O)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001283277881 818733638 /nfs/dbraw/zinc/73/36/38/818733638.db2.gz DPXZAJKCTIKWOC-KGLIPLIRSA-N 2 0 338.452 -0.038 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001283356273 818773259 /nfs/dbraw/zinc/77/32/59/818773259.db2.gz GPHVFUGWZHFCRP-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CN1CCC[C@H]([NH2+]CCCOCCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001283470471 818821405 /nfs/dbraw/zinc/82/14/05/818821405.db2.gz CHRRJPLRKKISLO-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CN1CCC[C@@H]([NH2+]CCCOCCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001283470470 818821619 /nfs/dbraw/zinc/82/16/19/818821619.db2.gz CHRRJPLRKKISLO-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCNC(=O)C1CC1 ZINC001283770856 818940926 /nfs/dbraw/zinc/94/09/26/818940926.db2.gz GAIJSWROGTUWTN-KBPBESRZSA-N 2 0 326.441 -0.936 20 0 EBADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001097564266 819002145 /nfs/dbraw/zinc/00/21/45/819002145.db2.gz AQJIEGKMYCIYDY-PQIGMKOUSA-N 2 0 335.448 -0.047 20 0 EBADRP C[NH+](C)CCOCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001284161772 819116773 /nfs/dbraw/zinc/11/67/73/819116773.db2.gz HDBYXYZGUDUOOX-HALDLXJZSA-N 2 0 338.452 -0.767 20 0 EBADRP CC[C@H](C(=O)N1CCC([N@H+](CCO)C[C@H](O)COC)CC1)[NH+](C)C ZINC001098403997 819172136 /nfs/dbraw/zinc/17/21/36/819172136.db2.gz BQWYOVCICRKZGX-JKSUJKDBSA-N 2 0 345.484 -0.381 20 0 EBADRP CCNC(=O)C[N@H+](CCO)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001098461977 819198543 /nfs/dbraw/zinc/19/85/43/819198543.db2.gz CTKTVANWOIXBLI-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CCC([N@H+](CCO)CC(N)=O)CC2)CC1 ZINC001098462493 819200333 /nfs/dbraw/zinc/20/03/33/819200333.db2.gz XHLFUPXBCLPNMT-UHFFFAOYSA-N 2 0 326.441 -0.901 20 0 EBADRP C[C@H](O)C[N@H+](CCO)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001098466650 819204082 /nfs/dbraw/zinc/20/40/82/819204082.db2.gz QGHAPIHZYWXVEU-AWEZNQCLSA-N 2 0 327.469 -0.006 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CCN1CCCC1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001284416037 819221346 /nfs/dbraw/zinc/22/13/46/819221346.db2.gz KFVSPKSWROKOBP-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC([NH+](CCO)CCO)CC1 ZINC001098562571 819246278 /nfs/dbraw/zinc/24/62/78/819246278.db2.gz ZAPCOSWFHSQCCW-HNNXBMFYSA-N 2 0 343.468 -0.768 20 0 EBADRP CCNC(=O)C[N@H+](CCO)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001098561523 819246611 /nfs/dbraw/zinc/24/66/11/819246611.db2.gz GNLSOEFAEDLHHN-UHFFFAOYSA-N 2 0 340.468 -0.496 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC([N@H+](CCO)CC(N)=O)CC1 ZINC001098570552 819250589 /nfs/dbraw/zinc/25/05/89/819250589.db2.gz DBAZAZFFLJVETE-KBPBESRZSA-N 2 0 340.468 -0.370 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098711483 819339508 /nfs/dbraw/zinc/33/95/08/819339508.db2.gz VMYGRUFBHUMUHZ-HNNXBMFYSA-N 2 0 338.456 -0.135 20 0 EBADRP Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)[C@H](O)C2)cn1 ZINC001099871407 819806652 /nfs/dbraw/zinc/80/66/52/819806652.db2.gz CVNYPGOHJUTWHU-JKSUJKDBSA-N 2 0 349.479 -0.002 20 0 EBADRP C[N@H+](CC(=O)N[C@H]1CC[NH+](CCOCCO)C[C@@H]1O)C1CCC1 ZINC001099880209 819825060 /nfs/dbraw/zinc/82/50/60/819825060.db2.gz WPRMOUKDNLVIKA-GJZGRUSLSA-N 2 0 329.441 -0.969 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](CCn3cccn3)C[C@H]2O)CC1 ZINC001099972350 819976225 /nfs/dbraw/zinc/97/62/25/819976225.db2.gz VKLVOWGSPAKPKC-LSDHHAIUSA-N 2 0 335.452 -0.224 20 0 EBADRP Cc1nc(C)n(CC[N@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C2)n1 ZINC001099986430 819992176 /nfs/dbraw/zinc/99/21/76/819992176.db2.gz KNGDCVLKTHONGI-HUUCEWRRSA-N 2 0 338.456 -0.602 20 0 EBADRP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001100022041 820050876 /nfs/dbraw/zinc/05/08/76/820050876.db2.gz GKLOAPISJNLPLR-CVEARBPZSA-N 2 0 343.468 -0.721 20 0 EBADRP CCOCC[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001100050690 820126071 /nfs/dbraw/zinc/12/60/71/820126071.db2.gz LOGXHRIXPJEUTF-CVEARBPZSA-N 2 0 343.468 -0.315 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCOCCOC)C[C@@H]1O ZINC001100065121 820148788 /nfs/dbraw/zinc/14/87/88/820148788.db2.gz XQRGYQZEPVEYSZ-CABCVRRESA-N 2 0 331.457 -0.457 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCOCCOC)C[C@H]1O ZINC001100065124 820149672 /nfs/dbraw/zinc/14/96/72/820149672.db2.gz XQRGYQZEPVEYSZ-LSDHHAIUSA-N 2 0 331.457 -0.457 20 0 EBADRP CC(C)OCC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100074622 820166670 /nfs/dbraw/zinc/16/66/70/820166670.db2.gz QBPCVKZFGVHCRB-LSDHHAIUSA-N 2 0 331.457 -0.459 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@H+](CCOC2CCC2)C[C@H]1O ZINC001100076852 820172060 /nfs/dbraw/zinc/17/20/60/820172060.db2.gz SOPRWCSYBBXHAF-JKSUJKDBSA-N 2 0 343.468 -0.315 20 0 EBADRP COCCOCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100109289 820224479 /nfs/dbraw/zinc/22/44/79/820224479.db2.gz CCHYDKBOHKAKDE-GJZGRUSLSA-N 2 0 329.441 -0.703 20 0 EBADRP C[C@@H]([NH2+]C1CC(CNC(=O)C2([NH+](C)C)CCC2)C1)C(=O)NC(N)=O ZINC001100405811 820406279 /nfs/dbraw/zinc/40/62/79/820406279.db2.gz NJCDSRWELNQDGW-VOMCLLRMSA-N 2 0 339.440 -0.462 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001100408189 820407282 /nfs/dbraw/zinc/40/72/82/820407282.db2.gz XWDXIOXUOJRNFB-OVGLSYRBSA-N 2 0 339.440 -0.733 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CC(CNC(=O)[C@H](C3CC3)[NH+](C)C)C2)nc1=O ZINC001100407680 820407365 /nfs/dbraw/zinc/40/73/65/820407365.db2.gz FJTUYXABOOEIPC-OVGLSYRBSA-N 2 0 336.440 -0.567 20 0 EBADRP CC(C)[C@@H](C(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001100428115 820417977 /nfs/dbraw/zinc/41/79/77/820417977.db2.gz YNPVQNWSUROLOJ-RUXDESIVSA-N 2 0 348.513 -0.394 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CCS(C)(=O)=O)C1 ZINC001100447122 820424749 /nfs/dbraw/zinc/42/47/49/820424749.db2.gz OYLNHDNXDMUBHR-RUXDESIVSA-N 2 0 331.482 0.000 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NCC2CC([NH2+]CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001100606658 820484734 /nfs/dbraw/zinc/48/47/34/820484734.db2.gz PXXPCVVDDSCYKJ-QCXCNERSSA-N 2 0 339.440 -0.604 20 0 EBADRP COCCOC[C@H](O)C[NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100619993 820489264 /nfs/dbraw/zinc/48/92/64/820489264.db2.gz RLNLIQDFQJBNKH-UYSNPLJNSA-N 2 0 345.484 -0.164 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC2CC([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001100678276 820508969 /nfs/dbraw/zinc/50/89/69/820508969.db2.gz FXPMCZSPIIOWKE-IYXRBSQSSA-N 2 0 346.497 -0.638 20 0 EBADRP CC[C@@H](C(=O)NCC1CC([NH2+]CCN2CCNC2=O)C1)[NH+](C)C ZINC001100683560 820511296 /nfs/dbraw/zinc/51/12/96/820511296.db2.gz HQIDYFGIQNUTMN-RUXDESIVSA-N 2 0 325.457 -0.164 20 0 EBADRP C[C@H](COCC(=O)NCC1CC([NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001100686701 820512574 /nfs/dbraw/zinc/51/25/74/820512574.db2.gz NLGLZTMHVQTLFS-IYXRBSQSSA-N 2 0 326.441 -0.543 20 0 EBADRP COC[C@@H](O)C[NH2+]C1CC(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001100803672 820557364 /nfs/dbraw/zinc/55/73/64/820557364.db2.gz CJTWEFJYGNPVEX-NRXISQOPSA-N 2 0 343.468 -0.411 20 0 EBADRP C[C@H]([NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1)c1nncn1C ZINC001100870725 820585146 /nfs/dbraw/zinc/58/51/46/820585146.db2.gz MHWGGPDYAYQBSS-HSBZDZAISA-N 2 0 338.456 -0.061 20 0 EBADRP CS(=O)(=O)NCC[NH2+]C1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001100871438 820585222 /nfs/dbraw/zinc/58/52/22/820585222.db2.gz RFTDNCUKAOBQMT-UHFFFAOYSA-N 2 0 344.481 -0.884 20 0 EBADRP CCn1nncc1C[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100870815 820585391 /nfs/dbraw/zinc/58/53/91/820585391.db2.gz OEYVMHDAQCPDLY-UHFFFAOYSA-N 2 0 338.456 -0.139 20 0 EBADRP CCCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100871067 820585441 /nfs/dbraw/zinc/58/54/41/820585441.db2.gz ZTIDAWSDDVORKQ-NFOMZHRRSA-N 2 0 342.484 -0.036 20 0 EBADRP CCN1CCO[C@H](C(=O)NCCNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001292816062 820624262 /nfs/dbraw/zinc/62/42/62/820624262.db2.gz PUPRCWIIAXBHOE-NFAWXSAZSA-N 2 0 349.435 -0.523 20 0 EBADRP NC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001101033245 820658927 /nfs/dbraw/zinc/65/89/27/820658927.db2.gz JSNMCEJTWYIDNW-UHFFFAOYSA-N 2 0 339.440 -0.458 20 0 EBADRP C[C@@H](COCC(=O)NCCNC(=O)[C@H]1CCC[N@@H+]1C)[NH+]1CCCC1 ZINC001293040729 820695409 /nfs/dbraw/zinc/69/54/09/820695409.db2.gz VZEZNBWMJLZZNM-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](C[C@@H](O)Cn3cccn3)C[C@@]2(C)C1 ZINC001101353280 820764043 /nfs/dbraw/zinc/76/40/43/820764043.db2.gz ZMTSSPVRSCXBPL-NUJGCVRESA-N 2 0 349.479 -0.024 20 0 EBADRP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351898 820764182 /nfs/dbraw/zinc/76/41/82/820764182.db2.gz OYONBQDBQZACNQ-WBMJQRKESA-N 2 0 339.440 -0.826 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC001101351481 820764246 /nfs/dbraw/zinc/76/42/46/820764246.db2.gz HHBIVIXRXQZPNN-PBHICJAKSA-N 2 0 337.468 -0.256 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001294767296 820993624 /nfs/dbraw/zinc/99/36/24/820993624.db2.gz COAKERHVQUQRPS-OAHLLOKOSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320426 821070534 /nfs/dbraw/zinc/07/05/34/821070534.db2.gz BWCPMZMFUKHJTO-CHWSQXEVSA-N 2 0 339.440 -0.826 20 0 EBADRP CC[C@@H](C(N)=O)[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513272 821133889 /nfs/dbraw/zinc/13/38/89/821133889.db2.gz CJDJXTDKKWDROJ-MCIONIFRSA-N 2 0 328.457 -0.487 20 0 EBADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102513498 821134475 /nfs/dbraw/zinc/13/44/75/821134475.db2.gz NAMPAOQTBXONQD-HUUCEWRRSA-N 2 0 331.457 -0.742 20 0 EBADRP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579682 821161118 /nfs/dbraw/zinc/16/11/18/821161118.db2.gz KDEMCUSUBRVJPS-CHWSQXEVSA-N 2 0 339.440 -0.778 20 0 EBADRP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601808 821170752 /nfs/dbraw/zinc/17/07/52/821170752.db2.gz QKDBYISOGABGGT-CHWSQXEVSA-N 2 0 341.456 -0.534 20 0 EBADRP CC[C@H](C(=O)NCC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C)[NH+](C)C ZINC001103140334 821265021 /nfs/dbraw/zinc/26/50/21/821265021.db2.gz YYIGFGMLAHTEGM-JHJVBQTASA-N 2 0 341.456 -0.404 20 0 EBADRP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103641949 821336115 /nfs/dbraw/zinc/33/61/15/821336115.db2.gz KHTXMNRVQGPOJS-KFWWJZLASA-N 2 0 340.468 -0.473 20 0 EBADRP C[NH+](C)CCC(=O)NCc1cccc(N2CC[C@H]([NH2+]CCO)C2)n1 ZINC001127852150 828338679 /nfs/dbraw/zinc/33/86/79/828338679.db2.gz KWTBIEGCFOMCOQ-HNNXBMFYSA-N 2 0 335.452 -0.190 20 0 EBADRP CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001104908171 821563974 /nfs/dbraw/zinc/56/39/74/821563974.db2.gz MIDBBIUJXLGADY-HUUCEWRRSA-N 2 0 342.484 -0.225 20 0 EBADRP C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001105242767 821642171 /nfs/dbraw/zinc/64/21/71/821642171.db2.gz HDNGTAUCANCIJH-WBMJQRKESA-N 2 0 348.451 -0.526 20 0 EBADRP C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001105243135 821642199 /nfs/dbraw/zinc/64/21/99/821642199.db2.gz XNTFRVAKRMKYFO-LALPHHSUSA-N 2 0 336.440 -0.528 20 0 EBADRP C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001105268355 821657584 /nfs/dbraw/zinc/65/75/84/821657584.db2.gz KWRTYTQGICAQKK-DOMZBBRYSA-N 2 0 336.440 -0.384 20 0 EBADRP C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001105268358 821658096 /nfs/dbraw/zinc/65/80/96/821658096.db2.gz KWRTYTQGICAQKK-WFASDCNBSA-N 2 0 336.440 -0.384 20 0 EBADRP O=C(N1CC(n2cc(C[NH2+]CCCO)nn2)C1)C12CCC[NH+]1CCC2 ZINC001105276442 821664104 /nfs/dbraw/zinc/66/41/04/821664104.db2.gz IJRDAWFLKZLEDY-UHFFFAOYSA-N 2 0 348.451 -0.238 20 0 EBADRP O=C(N1CC(n2cc(C[NH2+]CCCO)nn2)C1)C12CC[NH+](CC1)C2 ZINC001105361078 821718655 /nfs/dbraw/zinc/71/86/55/821718655.db2.gz PZRHWLDZTQIAFN-UHFFFAOYSA-N 2 0 334.424 -0.771 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105365410 821721581 /nfs/dbraw/zinc/72/15/81/821721581.db2.gz QOTMZGMFVDVOQI-UHFFFAOYSA-N 2 0 338.456 -0.135 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)[NH+](C)C ZINC001316622429 821819128 /nfs/dbraw/zinc/81/91/28/821819128.db2.gz NVEJFKOYWNHUNE-SFDCQRBFSA-N 2 0 338.452 -0.138 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001316623011 821819661 /nfs/dbraw/zinc/81/96/61/821819661.db2.gz DOVXOIVPSNSCRJ-OKILXGFUSA-N 2 0 336.436 -0.284 20 0 EBADRP O=C(CCC[NH+]1CCCC1)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001317310684 822078399 /nfs/dbraw/zinc/07/83/99/822078399.db2.gz WPHWSSIAXFGSCC-KBPBESRZSA-N 2 0 336.436 -0.142 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]CCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001317321022 822082616 /nfs/dbraw/zinc/08/26/16/822082616.db2.gz DRVVJHOTAUQRMW-HZSPNIEDSA-N 2 0 331.482 -0.191 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001317341662 822088406 /nfs/dbraw/zinc/08/84/06/822088406.db2.gz BJBNMHNDOMRXJM-QWHCGFSZSA-N 2 0 334.486 -0.686 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001317618587 822180513 /nfs/dbraw/zinc/18/05/13/822180513.db2.gz MGVQRJJGBWTFJN-CYBMUJFWSA-N 2 0 341.456 -0.246 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001128539840 828471701 /nfs/dbraw/zinc/47/17/01/828471701.db2.gz LPQNPRIWNUEDKH-LBPRGKRZSA-N 2 0 345.419 -0.686 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001128545471 828473089 /nfs/dbraw/zinc/47/30/89/828473089.db2.gz YGJOLUCYTHTLQJ-ZIAGYGMSSA-N 2 0 346.447 -0.475 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+][C@@H](C)C(=O)NCCCOC ZINC001128552668 828473919 /nfs/dbraw/zinc/47/39/19/828473919.db2.gz RRPBPYUVMYTRQF-KBPBESRZSA-N 2 0 348.463 -0.087 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COCCOC ZINC001128786173 828526372 /nfs/dbraw/zinc/52/63/72/828526372.db2.gz SHNIHCZSLZXDAM-CABCVRRESA-N 2 0 331.457 -0.410 20 0 EBADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCCOC)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129072097 828567493 /nfs/dbraw/zinc/56/74/93/828567493.db2.gz TZDURJMWUJMNDE-KFWWJZLASA-N 2 0 338.456 -0.004 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129351099 828603581 /nfs/dbraw/zinc/60/35/81/828603581.db2.gz KOSLUUQQCLLAHK-NSHDSACASA-N 2 0 327.429 -0.589 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)NC1CC1 ZINC001129363821 828604697 /nfs/dbraw/zinc/60/46/97/828604697.db2.gz KLEYLXXYUPPUIQ-OAHLLOKOSA-N 2 0 338.452 -0.386 20 0 EBADRP Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)C3([NH+](C)C)CCC3)C2=O)n1 ZINC001129363478 828604716 /nfs/dbraw/zinc/60/47/16/828604716.db2.gz HAESUWATGQJXAW-CYBMUJFWSA-N 2 0 348.451 -0.285 20 0 EBADRP C[NH+](C)C1(C(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)CCC1 ZINC001129358887 828604947 /nfs/dbraw/zinc/60/49/47/828604947.db2.gz XLCPBMOTKKLQEE-ZDUSSCGKSA-N 2 0 346.497 -0.542 20 0 EBADRP COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364818 828605759 /nfs/dbraw/zinc/60/57/59/828605759.db2.gz ZNEZWVSMCLFVOB-GJZGRUSLSA-N 2 0 329.441 -0.657 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C1([NH+](C)C)CCC1)C(=O)NC[C@H]1CCCO1 ZINC001129364328 828606220 /nfs/dbraw/zinc/60/62/20/828606220.db2.gz SKHINNLIFWOBJE-UONOGXRCSA-N 2 0 340.468 -0.140 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129429438 828616879 /nfs/dbraw/zinc/61/68/79/828616879.db2.gz GGDJJTXEGBMWLT-CYBMUJFWSA-N 2 0 339.440 -0.445 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129444464 828620436 /nfs/dbraw/zinc/62/04/36/828620436.db2.gz SXIPEGAHMJSECH-AWEZNQCLSA-N 2 0 341.456 -0.486 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129454618 828622727 /nfs/dbraw/zinc/62/27/27/828622727.db2.gz MONJNSWDOTVKDX-JSGCOSHPSA-N 2 0 328.457 -0.426 20 0 EBADRP Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)C[N@H+](C)C3CCC3)C2=O)n1 ZINC001129534896 828632238 /nfs/dbraw/zinc/63/22/38/828632238.db2.gz CMZJLPQFZZNUSS-CQSZACIVSA-N 2 0 348.451 -0.285 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001129531665 828631198 /nfs/dbraw/zinc/63/11/98/828631198.db2.gz FBHTVSDNUPSNKS-CYBMUJFWSA-N 2 0 326.441 -0.576 20 0 EBADRP CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)COCC[NH+](C)C)C2 ZINC001108801243 824438888 /nfs/dbraw/zinc/43/88/88/824438888.db2.gz YTEMHMXYGPFJIE-ZNMIVQPWSA-N 2 0 340.468 -0.330 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001129842113 828680026 /nfs/dbraw/zinc/68/00/26/828680026.db2.gz UDZLFPWEKRIOFX-ZDUSSCGKSA-N 2 0 339.440 -0.492 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129841038 828680754 /nfs/dbraw/zinc/68/07/54/828680754.db2.gz LSZMEVGHSRIENE-AWEZNQCLSA-N 2 0 348.513 -0.104 20 0 EBADRP C[NH+](C)C1(C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)CCC1 ZINC001129894533 828690331 /nfs/dbraw/zinc/69/03/31/828690331.db2.gz IVAHYLZZRZORKP-KGLIPLIRSA-N 2 0 336.440 -0.514 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129856370 828682425 /nfs/dbraw/zinc/68/24/25/828682425.db2.gz PXKTUGOOLKMNFF-ZDUSSCGKSA-N 2 0 341.456 -0.198 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001129950526 828699723 /nfs/dbraw/zinc/69/97/23/828699723.db2.gz WBSWINYMNBTIAZ-YPMHNXCESA-N 2 0 341.456 -0.345 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)[NH+](CC)CC ZINC001130005681 828713134 /nfs/dbraw/zinc/71/31/34/828713134.db2.gz CVARJGORHULRHL-KFWWJZLASA-N 2 0 338.456 -0.268 20 0 EBADRP COCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130005951 828713485 /nfs/dbraw/zinc/71/34/85/828713485.db2.gz MVQNFBQUZVVQPS-ZNMIVQPWSA-N 2 0 336.440 -0.392 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H]([NH2+][C@H](C)COC)[C@@H](n2ccnn2)C1 ZINC001130047887 828722434 /nfs/dbraw/zinc/72/24/34/828722434.db2.gz YHORRYPJCGMMDB-KFWWJZLASA-N 2 0 338.456 -0.004 20 0 EBADRP COCCC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1 ZINC001130091335 828731096 /nfs/dbraw/zinc/73/10/96/828731096.db2.gz MXZYBEQXBHUNKD-CABCVRRESA-N 2 0 348.451 -0.248 20 0 EBADRP COCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137268 828739091 /nfs/dbraw/zinc/73/90/91/828739091.db2.gz QMTPHMAMLVEGBK-CABCVRRESA-N 2 0 338.456 -0.004 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130170396 828745185 /nfs/dbraw/zinc/74/51/85/828745185.db2.gz YRJPABCUMIHAMU-UHFFFAOYSA-N 2 0 339.440 -0.586 20 0 EBADRP O=C(NCC[NH2+]CCN1C(=O)CCC1=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130190155 828752057 /nfs/dbraw/zinc/75/20/57/828752057.db2.gz WPEVFQGYXPYLHJ-KBPBESRZSA-N 2 0 336.436 -0.142 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1)[NH+](C)C ZINC001130203152 828755340 /nfs/dbraw/zinc/75/53/40/828755340.db2.gz GRJOIYAEWLWTTB-HUUCEWRRSA-N 2 0 340.468 -0.330 20 0 EBADRP CCCNC(=O)C[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130230900 828761108 /nfs/dbraw/zinc/76/11/08/828761108.db2.gz ZFQCXQHDZFGWAB-UHFFFAOYSA-N 2 0 328.457 -0.423 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001130230073 828761349 /nfs/dbraw/zinc/76/13/49/828761349.db2.gz GGEKTGZNGXZXRL-ZDUSSCGKSA-N 2 0 326.441 -0.671 20 0 EBADRP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001111861638 825329042 /nfs/dbraw/zinc/32/90/42/825329042.db2.gz WXHYHHXWVHUKBY-AHIWAGSCSA-N 2 0 336.436 -0.286 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130297315 828776972 /nfs/dbraw/zinc/77/69/72/828776972.db2.gz KRDXUAPFTZUFJB-GFCCVEGCSA-N 2 0 327.429 -0.588 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ncccn1 ZINC001130297383 828777333 /nfs/dbraw/zinc/77/73/33/828777333.db2.gz LOLFLCVQZOXTPE-OLZOCXBDSA-N 2 0 334.424 -0.006 20 0 EBADRP Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)[C@@H]3CCCC[N@@H+]3C)C2=O)n1 ZINC001130304196 828778460 /nfs/dbraw/zinc/77/84/60/828778460.db2.gz XKWIVXHROZKDLU-KBPBESRZSA-N 2 0 348.451 -0.285 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001130421924 828826992 /nfs/dbraw/zinc/82/69/92/828826992.db2.gz OYEODPMOFLEYPZ-UHFFFAOYSA-N 2 0 339.440 -0.980 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCNC(=O)C4CC4)C[C@H]32)CC[N@@H+]1C ZINC001114304091 826198567 /nfs/dbraw/zinc/19/85/67/826198567.db2.gz KIHHUOPXVQRLNC-XJBGLIRHSA-N 2 0 334.464 -0.101 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]21 ZINC001114360824 826215009 /nfs/dbraw/zinc/21/50/09/826215009.db2.gz FRYOUBXXYOXNHW-COMQUAJESA-N 2 0 328.432 -0.199 20 0 EBADRP C[NH+](C)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](CCN4C(=O)CNC4=O)C[C@H]32)CCC1 ZINC001114406679 826236502 /nfs/dbraw/zinc/23/65/02/826236502.db2.gz IXRFEOKUSALQFN-IMRBUKKESA-N 2 0 349.435 -0.931 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001179925525 833026899 /nfs/dbraw/zinc/02/68/99/833026899.db2.gz PTCQTRJEKJATHW-TUAOUCFPSA-N 2 0 325.413 -0.898 20 0 EBADRP C[C@H]1[C@@H]([NH2+][C@H]2CCCN(C)C2=O)CCN1C(=O)COCC[NH+](C)C ZINC001179934144 833027857 /nfs/dbraw/zinc/02/78/57/833027857.db2.gz STWSQXYURRCDNR-KKUMJFAQSA-N 2 0 340.468 -0.236 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001180060705 833038795 /nfs/dbraw/zinc/03/87/95/833038795.db2.gz MEOIXBDGKLJJMF-CYBMUJFWSA-N 2 0 341.456 -0.211 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3C[N@H+](CCN4CCNC4=O)C[C@H]32)CC1 ZINC001114745636 826331468 /nfs/dbraw/zinc/33/14/68/826331468.db2.gz CVPRGNZLJUDEAG-WDNDVIMCSA-N 2 0 335.452 -0.600 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CCc3nnn(C(C)(C)C)n3)C[C@H]21 ZINC001114778084 826340389 /nfs/dbraw/zinc/34/03/89/826340389.db2.gz FFNLRHRNEKLODD-VIKVFOODSA-N 2 0 349.483 -0.031 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001180135554 833044912 /nfs/dbraw/zinc/04/49/12/833044912.db2.gz INDZPQLYEQVFHK-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180123794 833045461 /nfs/dbraw/zinc/04/54/61/833045461.db2.gz BQZKSFHHKXWAML-XQQFMLRXSA-N 2 0 339.440 -0.637 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124999 833045715 /nfs/dbraw/zinc/04/57/15/833045715.db2.gz YMZZAHKEUFTLGW-ZNMIVQPWSA-N 2 0 340.468 -0.330 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180138363 833047083 /nfs/dbraw/zinc/04/70/83/833047083.db2.gz DOSZYUQJRKYFPR-IMJJTQAJSA-N 2 0 340.468 -0.330 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CCN(C)S(C)(=O)=O)C[C@H]21 ZINC001115159365 826435248 /nfs/dbraw/zinc/43/52/48/826435248.db2.gz GYJPCNMNCJROPH-NHAGDIPZSA-N 2 0 346.497 -0.734 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC001118264695 826892892 /nfs/dbraw/zinc/89/28/92/826892892.db2.gz FRFJXEQLOSNVRY-HIFRSBDPSA-N 2 0 340.468 -0.188 20 0 EBADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC001118276967 826895285 /nfs/dbraw/zinc/89/52/85/826895285.db2.gz DADYTZKTGYQGAW-AWEZNQCLSA-N 2 0 328.457 -0.343 20 0 EBADRP CC[NH+]1CCC(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC001118298451 826901394 /nfs/dbraw/zinc/90/13/94/826901394.db2.gz DJWWKJTVPSAEKP-UHFFFAOYSA-N 2 0 336.440 -0.016 20 0 EBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC001180896295 833120494 /nfs/dbraw/zinc/12/04/94/833120494.db2.gz ZFAXQDPSSPNEMF-GFCCVEGCSA-N 2 0 327.429 -0.455 20 0 EBADRP C[C@H](C[NH3+])NC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001118550407 826957521 /nfs/dbraw/zinc/95/75/21/826957521.db2.gz FJYCOTXNOCRUHA-GFCCVEGCSA-N 2 0 326.441 -0.543 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC001118861891 827008930 /nfs/dbraw/zinc/00/89/30/827008930.db2.gz QTULSLAGWCFGFF-AWEZNQCLSA-N 2 0 341.456 -0.735 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)C1CC1 ZINC001119354727 827100801 /nfs/dbraw/zinc/10/08/01/827100801.db2.gz LRFLBLKAZAKKLA-KOLCDFICSA-N 2 0 336.358 -0.208 20 0 EBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)NCC[NH2+]C3CC3)CC2)CC1 ZINC001119362814 827102979 /nfs/dbraw/zinc/10/29/79/827102979.db2.gz PMQXFGHSAPQDIV-UHFFFAOYSA-N 2 0 337.468 -0.907 20 0 EBADRP CCC[NH2+]CCNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001119420597 827106986 /nfs/dbraw/zinc/10/69/86/827106986.db2.gz IKLOSEMJDQJAIX-UHFFFAOYSA-N 2 0 339.484 -0.659 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]CC(=O)NC(N)=O)CCCCC2)C1 ZINC001120130328 827176085 /nfs/dbraw/zinc/17/60/85/827176085.db2.gz WMRQTCYXGXCKQT-LBPRGKRZSA-N 2 0 339.440 -0.458 20 0 EBADRP CC(C)(C)OC(=O)NC1(C(=O)N(CCCC[NH3+])C(N)=[NH2+])COC1 ZINC001181516079 833162068 /nfs/dbraw/zinc/16/20/68/833162068.db2.gz BVXYTFDQAFTUMS-UHFFFAOYSA-N 2 0 329.401 -0.259 20 0 EBADRP CC[NH2+]CC1CCN(C(=O)C(=O)NC[C@H](C[NH+](C)C)OCC)CC1 ZINC001120442720 827222737 /nfs/dbraw/zinc/22/27/37/827222737.db2.gz GAZBFVYEKFTQHU-OAHLLOKOSA-N 2 0 342.484 -0.083 20 0 EBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3C[C@H](C[NH3+])C3)C2)CC1 ZINC001120513792 827237344 /nfs/dbraw/zinc/23/73/44/827237344.db2.gz AQRKBXBPRBHVJC-IHRRRGAJSA-N 2 0 337.468 -0.875 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)N2CCNCC[NH2+]CC2)C[C@@H](C)O1 ZINC001120567179 827246078 /nfs/dbraw/zinc/24/60/78/827246078.db2.gz WZQJYDFYBRYFQH-HUUCEWRRSA-N 2 0 327.473 -0.310 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001181652096 833170587 /nfs/dbraw/zinc/17/05/87/833170587.db2.gz ISQMFSITIUSEDZ-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)C2(O)CC[NH+](C)CC2)CC1 ZINC001182037006 833196567 /nfs/dbraw/zinc/19/65/67/833196567.db2.gz QFXCEEVPSLWWKV-HDJSIYSDSA-N 2 0 340.468 -0.452 20 0 EBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1=O ZINC001121921678 827483010 /nfs/dbraw/zinc/48/30/10/827483010.db2.gz SSYTWNQTFJARAN-KKUMJFAQSA-N 2 0 338.452 -0.759 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001182473527 833236181 /nfs/dbraw/zinc/23/61/81/833236181.db2.gz SWDCCLBXSKEXEW-CHWSQXEVSA-N 2 0 339.440 -0.495 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124866925 827969511 /nfs/dbraw/zinc/96/95/11/827969511.db2.gz NXBIYPLRJRPCDL-RYUDHWBXSA-N 2 0 327.429 -0.591 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccccc1C(N)=O ZINC001124873231 827972206 /nfs/dbraw/zinc/97/22/06/827972206.db2.gz UFASBIVHEARBPK-AWEZNQCLSA-N 2 0 347.419 -0.476 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)s1 ZINC001124872233 827972266 /nfs/dbraw/zinc/97/22/66/827972266.db2.gz BJPAKVMUAGZAGE-JTQLQIEISA-N 2 0 326.426 -0.415 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001124877271 827972578 /nfs/dbraw/zinc/97/25/78/827972578.db2.gz FAZNEGDNEAEULN-CHWSQXEVSA-N 2 0 332.470 -0.932 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001183040372 833277875 /nfs/dbraw/zinc/27/78/75/833277875.db2.gz QXICXKLGHRWMIC-CHWSQXEVSA-N 2 0 339.440 -0.493 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1)C(=O)NC(N)=O ZINC001183240541 833284719 /nfs/dbraw/zinc/28/47/19/833284719.db2.gz JZSMGMOOSWCHQV-GHMZBOCLSA-N 2 0 325.413 -0.755 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001183267225 833285083 /nfs/dbraw/zinc/28/50/83/833285083.db2.gz JMBSPHULGWWIIB-ZBFHGGJFSA-N 2 0 340.468 -0.330 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001183256569 833285153 /nfs/dbraw/zinc/28/51/53/833285153.db2.gz ZQAJGSPTRKBQDV-CHWSQXEVSA-N 2 0 339.440 -0.365 20 0 EBADRP C[N@H+](CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1)C1CCC1 ZINC001183288482 833285681 /nfs/dbraw/zinc/28/56/81/833285681.db2.gz JWEGKPFYJOJPKJ-GFCCVEGCSA-N 2 0 332.470 -0.790 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001183289447 833285978 /nfs/dbraw/zinc/28/59/78/833285978.db2.gz YFNYRPPKSYOXFH-LLVKDONJSA-N 2 0 325.413 -0.883 20 0 EBADRP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1)[NH+](C)C ZINC001183437185 833290532 /nfs/dbraw/zinc/29/05/32/833290532.db2.gz SPPKGLYONXGABD-KGLIPLIRSA-N 2 0 348.513 -0.346 20 0 EBADRP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1)[NH+](C)C ZINC001183450330 833291088 /nfs/dbraw/zinc/29/10/88/833291088.db2.gz PIRKSRGHICETDB-UTUOFQBUSA-N 2 0 327.429 -0.654 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001183648807 833298451 /nfs/dbraw/zinc/29/84/51/833298451.db2.gz ZNHBBIAWIVEWPE-VXGBXAGGSA-N 2 0 325.413 -0.883 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001183581473 833296018 /nfs/dbraw/zinc/29/60/18/833296018.db2.gz KHDCAOGZBXAIQN-CHWSQXEVSA-N 2 0 339.440 -0.541 20 0 EBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001183610566 833296847 /nfs/dbraw/zinc/29/68/47/833296847.db2.gz IDJCGKDWPBHMIB-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001183765268 833305595 /nfs/dbraw/zinc/30/55/95/833305595.db2.gz RLMOZPVXKLOVQJ-GFCCVEGCSA-N 2 0 334.486 -0.544 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001127081735 828248553 /nfs/dbraw/zinc/24/85/53/828248553.db2.gz AHHVWOSXSHTVKB-GFCCVEGCSA-N 2 0 325.413 -0.883 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001127082842 828249542 /nfs/dbraw/zinc/24/95/42/828249542.db2.gz ZXWHCYKQCNVUQN-CQSZACIVSA-N 2 0 348.513 -0.154 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCOCC1 ZINC001127255355 828268614 /nfs/dbraw/zinc/26/86/14/828268614.db2.gz IVQQPJUGBJRRAM-LSDHHAIUSA-N 2 0 338.452 -0.575 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127254581 828268812 /nfs/dbraw/zinc/26/88/12/828268812.db2.gz GBJBIQSRJGXIDH-QWHCGFSZSA-N 2 0 332.470 -0.884 20 0 EBADRP O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127257520 828269468 /nfs/dbraw/zinc/26/94/68/828269468.db2.gz ZABAMIOUYGRSSL-QWHCGFSZSA-N 2 0 337.424 -0.882 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1)Nc1cnccn1 ZINC001127256801 828270074 /nfs/dbraw/zinc/27/00/74/828270074.db2.gz RXOLGEARPOFLPY-KBPBESRZSA-N 2 0 346.435 -0.005 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475294 828297279 /nfs/dbraw/zinc/29/72/79/828297279.db2.gz SQBYWUMTNMZHHQ-DGCLKSJQSA-N 2 0 339.440 -0.732 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475805 828297715 /nfs/dbraw/zinc/29/77/15/828297715.db2.gz ZSSATYXMQJFMLA-CQSZACIVSA-N 2 0 326.441 -0.813 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2)NC[C@@H]1CCOC1 ZINC001127481182 828297766 /nfs/dbraw/zinc/29/77/66/828297766.db2.gz QOLDNERUQJECEK-ZFWWWQNUSA-N 2 0 338.452 -0.813 20 0 EBADRP O=C(NCC[NH2+]C[C@H]1CCS(=O)(=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001127480853 828297897 /nfs/dbraw/zinc/29/78/97/828297897.db2.gz NHCQGEWLBGOQNC-OCCSQVGLSA-N 2 0 329.466 -0.531 20 0 EBADRP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127575746 828303907 /nfs/dbraw/zinc/30/39/07/828303907.db2.gz AMOXOXYNWYOYMP-CYBMUJFWSA-N 2 0 338.456 -0.321 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NCCCOC)CC[N@@H+]1C ZINC001127705798 828316158 /nfs/dbraw/zinc/31/61/58/828316158.db2.gz GLRZBILYRNTNNL-SOUVJXGZSA-N 2 0 342.484 -0.036 20 0 EBADRP CCC(CC)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127760974 828321205 /nfs/dbraw/zinc/32/12/05/828321205.db2.gz WTOFGYIARNDCJY-GJZGRUSLSA-N 2 0 340.468 -0.140 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NC1CCCC1 ZINC001127778852 828328990 /nfs/dbraw/zinc/32/89/90/828328990.db2.gz GYFOAGRUXVURMZ-GJZGRUSLSA-N 2 0 338.452 -0.386 20 0 EBADRP CN(CCC(=O)NCC[NH2+]CCS(C)(=O)=O)c1cc[nH+]cc1 ZINC001130556502 828881354 /nfs/dbraw/zinc/88/13/54/828881354.db2.gz KINVFSHWRLCGNU-UHFFFAOYSA-N 2 0 328.438 -0.342 20 0 EBADRP CN(CCC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O)c1cc[nH+]cc1 ZINC001130559015 828884568 /nfs/dbraw/zinc/88/45/68/828884568.db2.gz ZLVICHXROAVULA-CYBMUJFWSA-N 2 0 333.392 -0.581 20 0 EBADRP COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130808723 828944310 /nfs/dbraw/zinc/94/43/10/828944310.db2.gz OKMIKZJMIUHQKH-LSDHHAIUSA-N 2 0 343.468 -0.267 20 0 EBADRP O=C(NCC[NH2+]CCCN1C(=O)CNC1=O)C12CCC[NH+]1CCC2 ZINC001130809828 828945050 /nfs/dbraw/zinc/94/50/50/828945050.db2.gz IPACSHJAIYJBEV-UHFFFAOYSA-N 2 0 337.424 -0.738 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001184876795 833342468 /nfs/dbraw/zinc/34/24/68/833342468.db2.gz MYPHXFFPJRUMKH-IJLUTSLNSA-N 2 0 325.413 -0.885 20 0 EBADRP C[NH+](C)Cc1ccoc1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001185199559 833349804 /nfs/dbraw/zinc/34/98/04/833349804.db2.gz NVUATVNWZGCNHP-LLVKDONJSA-N 2 0 337.380 -0.660 20 0 EBADRP Cn1cncc1[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001131062151 829036341 /nfs/dbraw/zinc/03/63/41/829036341.db2.gz ZJBOKYSIDRIMNN-HZSPNIEDSA-N 2 0 348.451 -0.856 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185249152 833351577 /nfs/dbraw/zinc/35/15/77/833351577.db2.gz QHOIULRYDFJLDC-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP Cn1cncc1[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]CCF ZINC001131108199 829045573 /nfs/dbraw/zinc/04/55/73/829045573.db2.gz MMTABQBPYFBPSA-ZIAGYGMSSA-N 2 0 341.431 -0.148 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001185264861 833352856 /nfs/dbraw/zinc/35/28/56/833352856.db2.gz IMSSKBVMJJWRKI-ZIAGYGMSSA-N 2 0 331.482 -0.047 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185264241 833353192 /nfs/dbraw/zinc/35/31/92/833353192.db2.gz CXOWWGKHRRRBGQ-VXGBXAGGSA-N 2 0 327.429 -0.637 20 0 EBADRP CN(CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)S(C)(=O)=O ZINC001185385795 833357216 /nfs/dbraw/zinc/35/72/16/833357216.db2.gz UTDFRSUDKSVJMG-CQSZACIVSA-N 2 0 346.497 -0.590 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001185401904 833357890 /nfs/dbraw/zinc/35/78/90/833357890.db2.gz YPQLJIUDJMRNTL-HUUCEWRRSA-N 2 0 343.468 -0.315 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185401172 833357892 /nfs/dbraw/zinc/35/78/92/833357892.db2.gz LPGXCGRRPRFTSL-CYBMUJFWSA-N 2 0 341.456 -0.246 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001185651102 833364820 /nfs/dbraw/zinc/36/48/20/833364820.db2.gz RUXHECAJPBTIDK-CHWSQXEVSA-N 2 0 339.440 -0.493 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1)[NH+](CC)CC ZINC001185608962 833363044 /nfs/dbraw/zinc/36/30/44/833363044.db2.gz ACHWEDUXZPONOH-ZIAGYGMSSA-N 2 0 348.513 -0.154 20 0 EBADRP O=C(NCC[NH2+]C[C@H](O)CN1CCCC1=O)c1ccc2c[nH+]cn2c1 ZINC001131372617 829117605 /nfs/dbraw/zinc/11/76/05/829117605.db2.gz OPWIXRAUPFZZTK-HNNXBMFYSA-N 2 0 345.403 -0.363 20 0 EBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519658 829150575 /nfs/dbraw/zinc/15/05/75/829150575.db2.gz ISBSOEQHFGWDEG-UUCFBXCCSA-N 2 0 338.452 -0.576 20 0 EBADRP Cc1ncc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)cn1 ZINC001131520015 829152049 /nfs/dbraw/zinc/15/20/49/829152049.db2.gz QUVPWYFLDLEZRC-GULBITTBSA-N 2 0 331.420 -0.146 20 0 EBADRP Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)n1 ZINC001131520111 829152692 /nfs/dbraw/zinc/15/26/92/829152692.db2.gz UREGTFTWZPNBCW-ISXOHVOVSA-N 2 0 348.451 -0.536 20 0 EBADRP Cn1nccc1CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520024 829153174 /nfs/dbraw/zinc/15/31/74/829153174.db2.gz RHIWLMOJQQGJOR-GULBITTBSA-N 2 0 333.436 -0.468 20 0 EBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001185742065 833368946 /nfs/dbraw/zinc/36/89/46/833368946.db2.gz FFGPSDUAKRYKDF-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CCCCC1)C(=O)NC(N)=O ZINC001131799080 829223687 /nfs/dbraw/zinc/22/36/87/829223687.db2.gz HBBDACJHPJZBDX-LBPRGKRZSA-N 2 0 341.456 -0.212 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131840605 829241660 /nfs/dbraw/zinc/24/16/60/829241660.db2.gz PTZAKEWXWZOLBO-HNNXBMFYSA-N 2 0 345.484 -0.019 20 0 EBADRP C[NH+](C)C1(CC(=O)NCC[NH2+]CCN2C(=O)CNC2=O)CCCC1 ZINC001131844137 829243503 /nfs/dbraw/zinc/24/35/03/829243503.db2.gz BVJCRZSFQIKORN-UHFFFAOYSA-N 2 0 339.440 -0.492 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001186497002 833403565 /nfs/dbraw/zinc/40/35/65/833403565.db2.gz WDOGCDKLURNKSG-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CCN1CCNC1=O ZINC001132277109 829405018 /nfs/dbraw/zinc/40/50/18/829405018.db2.gz AWICVNFKIFWNAU-KGLIPLIRSA-N 2 0 325.457 -0.068 20 0 EBADRP C[NH+](C)CCOCC(=O)N1C[C@@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186546170 833405212 /nfs/dbraw/zinc/40/52/12/833405212.db2.gz RWCUJOIBVXEYOY-OAHLLOKOSA-N 2 0 343.468 -0.598 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H](C[NH2+]CCO)C3(C2)CCOCC3)C1 ZINC001186551955 833405238 /nfs/dbraw/zinc/40/52/38/833405238.db2.gz AZTKMZOOGJJKJZ-CABCVRRESA-N 2 0 325.453 -0.225 20 0 EBADRP CCN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001186615699 833409061 /nfs/dbraw/zinc/40/90/61/833409061.db2.gz IEOPSTABJUTLHI-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)CC1 ZINC001186616742 833409631 /nfs/dbraw/zinc/40/96/31/833409631.db2.gz XMSDRMMXHVAELT-CQSZACIVSA-N 2 0 329.441 -0.703 20 0 EBADRP CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001186622819 833409652 /nfs/dbraw/zinc/40/96/52/833409652.db2.gz RWYSAKRCLXXTCT-QWHCGFSZSA-N 2 0 326.441 -0.578 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1)C(=O)N(C)C ZINC001186622827 833410069 /nfs/dbraw/zinc/41/00/69/833410069.db2.gz SDSXFNODMVIOIS-ZIAGYGMSSA-N 2 0 340.468 -0.236 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001132742742 829513474 /nfs/dbraw/zinc/51/34/74/829513474.db2.gz FUIJEGMJMXKZKN-NWDGAFQWSA-N 2 0 327.429 -0.602 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001132848962 829534877 /nfs/dbraw/zinc/53/48/77/829534877.db2.gz XLARELMHETYVSD-KBPBESRZSA-N 2 0 347.481 -0.764 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCOC[C@H]2CCCO2)C1 ZINC001132848465 829535531 /nfs/dbraw/zinc/53/55/31/829535531.db2.gz IOOWMUVGOMEBCB-HZPDHXFCSA-N 2 0 343.468 -0.003 20 0 EBADRP CCN(C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C1CC1 ZINC001132852175 829537785 /nfs/dbraw/zinc/53/77/85/829537785.db2.gz IZECRSHHJOTVJG-OAHLLOKOSA-N 2 0 340.468 -0.188 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132985680 829568174 /nfs/dbraw/zinc/56/81/74/829568174.db2.gz NJBHDOCZVIBXTK-SNVBAGLBSA-N 2 0 339.396 -0.495 20 0 EBADRP Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)C3(C[NH+](C)C)CC3)C2=O)cn1 ZINC001132995119 829568394 /nfs/dbraw/zinc/56/83/94/829568394.db2.gz MBYWXCOCHMSZJR-CQSZACIVSA-N 2 0 348.451 -0.427 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132997168 829568829 /nfs/dbraw/zinc/56/88/29/829568829.db2.gz DKJQRBCTNMHSKC-UHFFFAOYSA-N 2 0 341.456 -0.340 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001132994811 829568980 /nfs/dbraw/zinc/56/89/80/829568980.db2.gz BZMQHTBWMZMDKQ-ZDUSSCGKSA-N 2 0 346.497 -0.685 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001132995274 829569000 /nfs/dbraw/zinc/56/90/00/829569000.db2.gz PZRRYCIWHBLSMB-ZDUSSCGKSA-N 2 0 326.441 -0.719 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CC(=O)NCc2cccnc2)CC1 ZINC001132993456 829569238 /nfs/dbraw/zinc/56/92/38/829569238.db2.gz VEWJQYYFPSWVBV-UHFFFAOYSA-N 2 0 333.436 -0.255 20 0 EBADRP C[NH+](C)CCCC(=O)NCC[NH2+]CC(=O)NCC(=O)NC(C)(C)C ZINC001133040253 829577895 /nfs/dbraw/zinc/57/78/95/829577895.db2.gz ICXXJQJYGNIHDM-UHFFFAOYSA-N 2 0 343.472 -0.935 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001133224415 829608318 /nfs/dbraw/zinc/60/83/18/829608318.db2.gz BFZOBCXLLDOSHJ-OLZOCXBDSA-N 2 0 341.456 -0.403 20 0 EBADRP C[C@@H]1CCN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CCOCCO ZINC001133240798 829610717 /nfs/dbraw/zinc/61/07/17/829610717.db2.gz ADQSUZFNOUAENO-HZPDHXFCSA-N 2 0 345.484 -0.352 20 0 EBADRP CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133285952 829614901 /nfs/dbraw/zinc/61/49/01/829614901.db2.gz PNIXGDSDPMTVHW-AWEZNQCLSA-N 2 0 342.484 -0.035 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001133275693 829615025 /nfs/dbraw/zinc/61/50/25/829615025.db2.gz WGKOUHCISOPLNX-OLZOCXBDSA-N 2 0 341.456 -0.403 20 0 EBADRP C[NH+]1CCC(C(=O)NCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC001133285614 829615242 /nfs/dbraw/zinc/61/52/42/829615242.db2.gz AAVUGERRPLOXCU-UHFFFAOYSA-N 2 0 339.440 -0.636 20 0 EBADRP COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133287006 829616236 /nfs/dbraw/zinc/61/62/36/829616236.db2.gz BSMIPGAWBSAWFN-ZFWWWQNUSA-N 2 0 331.457 -0.554 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)NC(=O)Nc1ccccc1 ZINC001133298213 829617758 /nfs/dbraw/zinc/61/77/58/829617758.db2.gz ZSJOHJPCWUKFKS-UHFFFAOYSA-N 2 0 335.408 -0.008 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC001133294540 829617927 /nfs/dbraw/zinc/61/79/27/829617927.db2.gz MMGLBKQJHGDVIH-OAHLLOKOSA-N 2 0 348.447 -0.236 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001186825082 833431786 /nfs/dbraw/zinc/43/17/86/833431786.db2.gz YNLYKFFOLGHAQO-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133434498 829631028 /nfs/dbraw/zinc/63/10/28/829631028.db2.gz USCNROWSEYXPJM-CQSZACIVSA-N 2 0 343.472 -0.096 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1)[NH+](CC)CC ZINC001133689690 829661879 /nfs/dbraw/zinc/66/18/79/829661879.db2.gz BGXDQJLRRXWAKM-HUUCEWRRSA-N 2 0 342.484 -0.035 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC001133823278 829679290 /nfs/dbraw/zinc/67/92/90/829679290.db2.gz AKVVRFMXELYJPD-ZFWWWQNUSA-N 2 0 348.451 -0.285 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001133823883 829679830 /nfs/dbraw/zinc/67/98/30/829679830.db2.gz ROCXTBNKFCTBLX-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)NCc1cccnc1 ZINC001133833596 829681127 /nfs/dbraw/zinc/68/11/27/829681127.db2.gz AGQJVPXZOPXALM-CQSZACIVSA-N 2 0 333.436 -0.112 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC001133845419 829685358 /nfs/dbraw/zinc/68/53/58/829685358.db2.gz FJWGYTVGKNGENZ-ZIAGYGMSSA-N 2 0 331.482 -0.141 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001133845525 829685572 /nfs/dbraw/zinc/68/55/72/829685572.db2.gz IAKOBJAKCREVQX-ZIAGYGMSSA-N 2 0 331.482 -0.141 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)NC(=O)NC1CC1 ZINC001133849608 829686833 /nfs/dbraw/zinc/68/68/33/829686833.db2.gz AMFFHENVGFPYMO-NWDGAFQWSA-N 2 0 339.440 -0.589 20 0 EBADRP CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133851056 829687064 /nfs/dbraw/zinc/68/70/64/829687064.db2.gz VYOUUTBYIJJGEE-CABCVRRESA-N 2 0 342.484 -0.035 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133869127 829690694 /nfs/dbraw/zinc/69/06/94/829690694.db2.gz BIDPNCPPBUNWAF-RYUDHWBXSA-N 2 0 327.429 -0.874 20 0 EBADRP C[NH+](C)CCc1ccc(C(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)cc1 ZINC001133893557 829695078 /nfs/dbraw/zinc/69/50/78/829695078.db2.gz KNHPBOIOJKHNGS-HNNXBMFYSA-N 2 0 346.431 -0.085 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133896278 829695232 /nfs/dbraw/zinc/69/52/32/829695232.db2.gz GOLFWMJNPGUEBU-AWEZNQCLSA-N 2 0 342.484 -0.035 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC(=O)NC(C)(C)C)[NH+](C)C ZINC001133962656 829706826 /nfs/dbraw/zinc/70/68/26/829706826.db2.gz KFMFWFFAJYGISD-LBPRGKRZSA-N 2 0 343.472 -0.937 20 0 EBADRP C[C@@H](COCC(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C)[NH+]1CCCC1 ZINC001134020433 829713451 /nfs/dbraw/zinc/71/34/51/829713451.db2.gz AQBJPMRNCKWMHO-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP C[N@@H+]1C[C@H](C(=O)NCC[NH2+][C@H]2CCNC2=O)[C@@H](c2ccccc2)C1 ZINC001134126566 829729584 /nfs/dbraw/zinc/72/95/84/829729584.db2.gz XWFUCFSJPGLJEK-PMPSAXMXSA-N 2 0 330.432 -0.074 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001134767227 829842099 /nfs/dbraw/zinc/84/20/99/829842099.db2.gz TTZOHPRQENOKHR-CQSZACIVSA-N 2 0 348.513 -0.106 20 0 EBADRP C[NH+]1CCC(CC(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)CC1 ZINC001134780611 829844815 /nfs/dbraw/zinc/84/48/15/829844815.db2.gz ODINHBGBKOIHBU-HNNXBMFYSA-N 2 0 340.468 -0.281 20 0 EBADRP COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780561 829845158 /nfs/dbraw/zinc/84/51/58/829845158.db2.gz LRDIOXOZGDYSOX-HOCLYGCPSA-N 2 0 345.484 -0.164 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858844 829859080 /nfs/dbraw/zinc/85/90/80/829859080.db2.gz ZCMRWEZUPGHANV-RYUDHWBXSA-N 2 0 339.440 -0.317 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)C12CCC[NH+]1CCC2)[NH2+]CC(=O)NC(N)=O ZINC001134858841 829859324 /nfs/dbraw/zinc/85/93/24/829859324.db2.gz ZCMRWEZUPGHANV-NEPJUHHUSA-N 2 0 339.440 -0.317 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NCC[NH2+]CC(=O)NC(C)(C)C)cn1 ZINC001135114819 829900089 /nfs/dbraw/zinc/90/00/89/829900089.db2.gz OZVGKZDSOLEIDF-UHFFFAOYSA-N 2 0 338.456 -0.321 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)CCC[NH+](C)C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001135314639 829943996 /nfs/dbraw/zinc/94/39/96/829943996.db2.gz DVJHVMKQUMFKCB-NEPJUHHUSA-N 2 0 326.445 -0.177 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135340616 829949331 /nfs/dbraw/zinc/94/93/31/829949331.db2.gz FHVATDUOHMEKGS-UHFFFAOYSA-N 2 0 349.435 -0.087 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135373205 829955390 /nfs/dbraw/zinc/95/53/90/829955390.db2.gz VLAZQFKAERZINW-OLZOCXBDSA-N 2 0 336.502 -0.250 20 0 EBADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]CC(=O)N1CCOCC1)C(C)C ZINC001135477347 829973974 /nfs/dbraw/zinc/97/39/74/829973974.db2.gz DDWHAANJVHCXRZ-MRXNPFEDSA-N 2 0 342.484 -0.083 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F ZINC001135511566 829978877 /nfs/dbraw/zinc/97/88/77/829978877.db2.gz SXHPDAPURZXDMB-NSHDSACASA-N 2 0 329.363 -0.026 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001135513713 829980047 /nfs/dbraw/zinc/98/00/47/829980047.db2.gz VNPUDUPQLGNPPD-LSDHHAIUSA-N 2 0 331.457 -0.410 20 0 EBADRP CC1CC[NH+](CC(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)CC1 ZINC001135688545 830009261 /nfs/dbraw/zinc/00/92/61/830009261.db2.gz VMHFOXYEKZLPRR-HNNXBMFYSA-N 2 0 340.468 -0.281 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001135706237 830013119 /nfs/dbraw/zinc/01/31/19/830013119.db2.gz QOTYERZWAKKGMN-QWHCGFSZSA-N 2 0 341.456 -0.247 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CCN1CCNC1=O)NC(=O)COCC[NH+](C)C ZINC001135922719 830046796 /nfs/dbraw/zinc/04/67/96/830046796.db2.gz AFCUVNBFADJHOB-UONOGXRCSA-N 2 0 343.472 -0.537 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CCS(C)(=O)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001135939416 830048619 /nfs/dbraw/zinc/04/86/19/830048619.db2.gz ZWFOGCLKDMITQH-QWHCGFSZSA-N 2 0 331.482 0.000 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938562 830048705 /nfs/dbraw/zinc/04/87/05/830048705.db2.gz LIJJPTRERCCYQT-NEPJUHHUSA-N 2 0 339.440 -0.589 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]C[C@H]2CCc3ncnn32)CC1 ZINC001135959315 830051956 /nfs/dbraw/zinc/05/19/56/830051956.db2.gz NRPZXUMFMLWWDT-CYBMUJFWSA-N 2 0 336.440 -0.418 20 0 EBADRP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135959017 830052444 /nfs/dbraw/zinc/05/24/44/830052444.db2.gz IZRRISYORGXSGB-CYBMUJFWSA-N 2 0 328.457 -0.282 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001135979940 830056022 /nfs/dbraw/zinc/05/60/22/830056022.db2.gz KHXAFDRFKIFOSX-RYUDHWBXSA-N 2 0 329.445 -0.343 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001211285690 837421295 /nfs/dbraw/zinc/42/12/95/837421295.db2.gz QZKAISWCJRGHKS-CYBMUJFWSA-N 2 0 334.486 -0.544 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146340740 830193691 /nfs/dbraw/zinc/19/36/91/830193691.db2.gz SBZNBIJQVLIZOA-RYUDHWBXSA-N 2 0 327.429 -0.589 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146384884 830195655 /nfs/dbraw/zinc/19/56/55/830195655.db2.gz VNTRWEOQYFRDIP-MRXNPFEDSA-N 2 0 345.484 -0.164 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F ZINC001146705098 830221599 /nfs/dbraw/zinc/22/15/99/830221599.db2.gz KRSJDTHJXZSZPE-NSHDSACASA-N 2 0 329.363 -0.026 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC001146711501 830222421 /nfs/dbraw/zinc/22/24/21/830222421.db2.gz UAQAJXAHCDWKMI-AWEZNQCLSA-N 2 0 336.440 -0.427 20 0 EBADRP O=C(NCC[NH2+]CCN1CCNC1=O)C1CC[NH+](CC2CC2)CC1 ZINC001147339687 830324902 /nfs/dbraw/zinc/32/49/02/830324902.db2.gz KTDVKIMXAWHRGU-UHFFFAOYSA-N 2 0 337.468 -0.161 20 0 EBADRP C[NH+](C)[C@](C)(C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O)c1ccccc1 ZINC001147410798 830338733 /nfs/dbraw/zinc/33/87/33/830338733.db2.gz VQOPJBWGKBUPCV-KDOFPFPSSA-N 2 0 346.431 -0.026 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147725094 830401083 /nfs/dbraw/zinc/40/10/83/830401083.db2.gz SEZOVFBJCHHYEZ-GJZGRUSLSA-N 2 0 325.453 -0.132 20 0 EBADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001147834444 830417456 /nfs/dbraw/zinc/41/74/56/830417456.db2.gz JFFWFRDGHZRFBM-OLZOCXBDSA-N 2 0 334.486 -0.638 20 0 EBADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001147834446 830417911 /nfs/dbraw/zinc/41/79/11/830417911.db2.gz JFFWFRDGHZRFBM-STQMWFEESA-N 2 0 334.486 -0.638 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC1CCS(=O)(=O)CC1 ZINC001147848921 830420848 /nfs/dbraw/zinc/42/08/48/830420848.db2.gz YVZVUSQQMKZLIL-UHFFFAOYSA-N 2 0 335.470 -0.905 20 0 EBADRP CC(C)N(C(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C)C(C)C ZINC001147848986 830421138 /nfs/dbraw/zinc/42/11/38/830421138.db2.gz ZXIONNBRPYVTFU-UHFFFAOYSA-N 2 0 330.473 -0.084 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C)no1 ZINC001147848003 830421380 /nfs/dbraw/zinc/42/13/80/830421380.db2.gz CKDPWVMWANJHAG-UHFFFAOYSA-N 2 0 327.385 -0.794 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001147885329 830426463 /nfs/dbraw/zinc/42/64/63/830426463.db2.gz LZLUTBJJGLLLSV-ZIAGYGMSSA-N 2 0 326.441 -0.671 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001148161638 830450568 /nfs/dbraw/zinc/45/05/68/830450568.db2.gz YVUJAIKJRHTRBY-CQSZACIVSA-N 2 0 325.453 -0.130 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001148578505 830511913 /nfs/dbraw/zinc/51/19/13/830511913.db2.gz VOLOVYSGCGEOOO-GFCCVEGCSA-N 2 0 341.456 -0.199 20 0 EBADRP COCCOCC[N@@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148604935 830515057 /nfs/dbraw/zinc/51/50/57/830515057.db2.gz KMNPMFHBZBMQCU-UHFFFAOYSA-N 2 0 343.468 -0.238 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N1CCOC[C@H]1C1CC1 ZINC001148638702 830523729 /nfs/dbraw/zinc/52/37/29/830523729.db2.gz OCFISQLILKVAKK-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001148655176 830525202 /nfs/dbraw/zinc/52/52/02/830525202.db2.gz JMTMNSHARBDHAQ-KBPBESRZSA-N 2 0 328.457 -0.282 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001148654869 830525329 /nfs/dbraw/zinc/52/53/29/830525329.db2.gz CQQNKTRBZHFANK-LLVKDONJSA-N 2 0 327.429 -0.589 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)CCc3cncn3C)C2)C1 ZINC001148695229 830530040 /nfs/dbraw/zinc/53/00/40/830530040.db2.gz YMBFIQUTWPWPPO-OAHLLOKOSA-N 2 0 336.436 -0.106 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149855231 830765574 /nfs/dbraw/zinc/76/55/74/830765574.db2.gz WSIKYHSUOAERFS-HOTGVXAUSA-N 2 0 343.468 -0.315 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@H+](CCO)CCCO1 ZINC001149886772 830775351 /nfs/dbraw/zinc/77/53/51/830775351.db2.gz BZVPQBRJIRUOKS-HNNXBMFYSA-N 2 0 343.468 -0.456 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@@H]1C[N@H+](CCn2cncn2)CCCO1 ZINC001150194304 830834071 /nfs/dbraw/zinc/83/40/71/830834071.db2.gz RQPKMQVRQDKTHB-OAHLLOKOSA-N 2 0 338.456 -0.173 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150193048 830834873 /nfs/dbraw/zinc/83/48/73/830834873.db2.gz LIVIPFRKVWDSSV-CABCVRRESA-N 2 0 331.457 -0.457 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](CCOCCO)CCCO1)[NH+](C)C ZINC001150292275 830858302 /nfs/dbraw/zinc/85/83/02/830858302.db2.gz QSLOTFJNEIWJBL-HZPDHXFCSA-N 2 0 345.484 -0.211 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001150291865 830858557 /nfs/dbraw/zinc/85/85/57/830858557.db2.gz PILSDJJARFWVTQ-ARFHVFGLSA-N 2 0 345.484 -0.213 20 0 EBADRP C[NH+]1CCC(OCC(=O)NC[C@H]2C[N@H+](CCCO)CCCO2)CC1 ZINC001150508517 830919006 /nfs/dbraw/zinc/91/90/06/830919006.db2.gz VGCPOINQFMJJOC-INIZCTEOSA-N 2 0 343.468 -0.313 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@@H]1C[N@H+](CCn2cncn2)CCCO1 ZINC001150716580 830969964 /nfs/dbraw/zinc/96/99/64/830969964.db2.gz UADHEDVQWWWICF-OAHLLOKOSA-N 2 0 336.440 -0.419 20 0 EBADRP COCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001150725352 830971774 /nfs/dbraw/zinc/97/17/74/830971774.db2.gz ULIQQVMZRYVBJF-HOTGVXAUSA-N 2 0 343.468 -0.192 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC001151064393 831018362 /nfs/dbraw/zinc/01/83/62/831018362.db2.gz BFJWGJJMPWMGOM-GHMZBOCLSA-N 2 0 336.358 -0.193 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCOC[C@H]2C2CC2)C1 ZINC001151058114 831018774 /nfs/dbraw/zinc/01/87/74/831018774.db2.gz WOQVJLAJRNTQNF-CABCVRRESA-N 2 0 338.452 -0.719 20 0 EBADRP CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151066354 831019265 /nfs/dbraw/zinc/01/92/65/831019265.db2.gz TWXMXHILKJHUCD-CQSZACIVSA-N 2 0 328.457 -0.425 20 0 EBADRP Cn1cc(N2CCC[C@H]([NH2+]CCNC(=O)[C@@H]3CC[N@H+](C)C3)C2=O)cn1 ZINC001151066988 831020602 /nfs/dbraw/zinc/02/06/02/831020602.db2.gz ZTJJUFYZIHHLAQ-HIFRSBDPSA-N 2 0 348.451 -0.427 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001151066442 831021121 /nfs/dbraw/zinc/02/11/21/831021121.db2.gz UYYRKGPOSFZZDI-LLVKDONJSA-N 2 0 327.429 -0.732 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C[NH+]1CCCC1)C(=O)NC[C@@H]1CCCO1 ZINC001151107051 831025694 /nfs/dbraw/zinc/02/56/94/831025694.db2.gz PODXJCAAZIOLDG-KGLIPLIRSA-N 2 0 326.441 -0.528 20 0 EBADRP O=C(C[NH+]1CCCC1)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001151101055 831026306 /nfs/dbraw/zinc/02/63/06/831026306.db2.gz KCYUMNWEPNAMJU-CQSZACIVSA-N 2 0 329.441 -0.656 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001151158519 831034683 /nfs/dbraw/zinc/03/46/83/831034683.db2.gz PCSQVBLRUXYUSO-KBPBESRZSA-N 2 0 347.481 -0.905 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001151157948 831034981 /nfs/dbraw/zinc/03/49/81/831034981.db2.gz NNNVFCJGBKOMGG-HZPDHXFCSA-N 2 0 343.468 -0.144 20 0 EBADRP CCCC[C@H]([NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1)C(N)=O ZINC001151156781 831035004 /nfs/dbraw/zinc/03/50/04/831035004.db2.gz HBBCQPRADOBRNF-KBPBESRZSA-N 2 0 328.457 -0.295 20 0 EBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151159970 831036913 /nfs/dbraw/zinc/03/69/13/831036913.db2.gz VSTMKEDJWSFARM-CQSZACIVSA-N 2 0 328.457 -0.567 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001151160677 831037505 /nfs/dbraw/zinc/03/75/05/831037505.db2.gz XNFLFGCPPYKYTI-GJZGRUSLSA-N 2 0 340.468 -0.423 20 0 EBADRP O=C(CCC[NH+]1CCCC1)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001152224311 831143190 /nfs/dbraw/zinc/14/31/90/831143190.db2.gz UVTUOAQDSXTJJR-UHFFFAOYSA-N 2 0 340.468 -0.137 20 0 EBADRP COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152230692 831143246 /nfs/dbraw/zinc/14/32/46/831143246.db2.gz GDSFRPXVFXNZRU-HZPDHXFCSA-N 2 0 345.484 -0.019 20 0 EBADRP O=C(CCC[NH+]1CCCC1)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001152222813 831143360 /nfs/dbraw/zinc/14/33/60/831143360.db2.gz CCYKJDZSGKKURY-HNNXBMFYSA-N 2 0 340.468 -0.449 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)c1ccccc1C[NH+](C)C)C(=O)NC(N)=O ZINC001152383871 831156392 /nfs/dbraw/zinc/15/63/92/831156392.db2.gz KUNPTUGMBQUWKA-LLVKDONJSA-N 2 0 335.408 -0.349 20 0 EBADRP CC[N@H+](CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152392277 831156985 /nfs/dbraw/zinc/15/69/85/831156985.db2.gz KVKXIZPMHWWMJY-CHWSQXEVSA-N 2 0 339.440 -0.541 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccccc1C[NH+](C)C ZINC001152393595 831158816 /nfs/dbraw/zinc/15/88/16/831158816.db2.gz QQNBSKLSXBURGA-UHFFFAOYSA-N 2 0 335.408 -0.477 20 0 EBADRP CC[N@H+](CCN(C)S(C)(=O)=O)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999056 831379001 /nfs/dbraw/zinc/37/90/01/831379001.db2.gz AQEIXRCDXZDWAK-CYBMUJFWSA-N 2 0 336.502 -0.344 20 0 EBADRP CS(=O)(=O)c1nc2c(c(NC[C@@H]3C[C@H](F)C[NH2+]3)n1)CC[NH2+]CC2 ZINC001155028375 831380654 /nfs/dbraw/zinc/38/06/54/831380654.db2.gz ALOMGVWAEUADKG-UWVGGRQHSA-N 2 0 343.428 -0.320 20 0 EBADRP COC(=O)[C@@H](Nc1ncccc1C(=O)N1CC[NH2+]CC1)C(C)(C)[NH3+] ZINC001155368337 831403032 /nfs/dbraw/zinc/40/30/32/831403032.db2.gz ICFDINOGGCJQTA-GFCCVEGCSA-N 2 0 335.408 -0.182 20 0 EBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ccc(OCC3CC[NH2+]CC3)nn2)N1 ZINC001155582213 831415305 /nfs/dbraw/zinc/41/53/05/831415305.db2.gz ZWTXWZPGEXPOLR-BLLLJJGKSA-N 2 0 332.408 -0.155 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155790924 831430210 /nfs/dbraw/zinc/43/02/10/831430210.db2.gz PFNRIVQJBIHGAO-CYBMUJFWSA-N 2 0 334.486 -0.494 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155810971 831432157 /nfs/dbraw/zinc/43/21/57/831432157.db2.gz DLFGURPSBQWTQT-ZDUSSCGKSA-N 2 0 341.456 -0.342 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1nnnn1CC(F)(F)F ZINC001155810965 831432490 /nfs/dbraw/zinc/43/24/90/831432490.db2.gz DKVKFBGIRBHBMB-SNVBAGLBSA-N 2 0 349.361 -0.075 20 0 EBADRP CC[N@H+](CCN1CCNC1=O)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156409531 831473413 /nfs/dbraw/zinc/47/34/13/831473413.db2.gz QEJSXYNCZPNJEZ-CQSZACIVSA-N 2 0 337.468 -0.066 20 0 EBADRP C[C@@H]1CN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)CC[NH2+]1 ZINC001156680596 831490516 /nfs/dbraw/zinc/49/05/16/831490516.db2.gz SQFGILYOYAIIMU-SNVBAGLBSA-N 2 0 325.438 -0.634 20 0 EBADRP CC[N@H+](CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156901966 831514245 /nfs/dbraw/zinc/51/42/45/831514245.db2.gz VGLFRFUYYDBNKB-CYBMUJFWSA-N 2 0 339.440 -0.539 20 0 EBADRP CC[N@H+](CCOCCO)[C@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001156907968 831514295 /nfs/dbraw/zinc/51/42/95/831514295.db2.gz OPJVOZJGARYTSJ-HZPDHXFCSA-N 2 0 345.484 -0.210 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001157323141 831553552 /nfs/dbraw/zinc/55/35/52/831553552.db2.gz AZPSITHZGAMWNX-MQYQWHSLSA-N 2 0 326.441 -0.639 20 0 EBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157368445 831560514 /nfs/dbraw/zinc/56/05/14/831560514.db2.gz HEIJJQBRZQCXEX-OLZOCXBDSA-N 2 0 342.440 -0.497 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1)C(=O)N1CCCC1 ZINC001157369782 831561385 /nfs/dbraw/zinc/56/13/85/831561385.db2.gz WNXJJPSKLZWBJW-KBPBESRZSA-N 2 0 336.440 -0.484 20 0 EBADRP NC1(C(=O)N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)CC[NH2+]CC1 ZINC001157379923 831563398 /nfs/dbraw/zinc/56/33/98/831563398.db2.gz RHBMPZCMCIWJGU-ZDUSSCGKSA-N 2 0 325.457 -0.697 20 0 EBADRP O=C([C@@H]1C[NH2+]C[C@H]1O)N1CCC(COCC[NH+]2CCCC2)CC1 ZINC001157627859 831583341 /nfs/dbraw/zinc/58/33/41/831583341.db2.gz ZJZNBOCDLTZCNW-HZPDHXFCSA-N 2 0 325.453 -0.082 20 0 EBADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)c1csc(N2CC[NH2+]CC2)n1 ZINC001157720102 831588279 /nfs/dbraw/zinc/58/82/79/831588279.db2.gz AINFVJSFTCTXRM-LLVKDONJSA-N 2 0 325.438 -0.387 20 0 EBADRP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1 ZINC001157843470 831597532 /nfs/dbraw/zinc/59/75/32/831597532.db2.gz RFDVYUVPVHJCDC-MCIONIFRSA-N 2 0 348.451 -0.100 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001157899096 831603872 /nfs/dbraw/zinc/60/38/72/831603872.db2.gz JOFWLMFRRIVXTG-OLZOCXBDSA-N 2 0 341.456 -0.201 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCN(C(=O)C(F)(F)F)CC1 ZINC001157981690 831615881 /nfs/dbraw/zinc/61/58/81/831615881.db2.gz GVZDFMVNQQPYOF-QMMMGPOBSA-N 2 0 328.360 -0.761 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158037795 831622057 /nfs/dbraw/zinc/62/20/57/831622057.db2.gz LJTRYRJIHORDHW-OLZOCXBDSA-N 2 0 339.440 -0.588 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)C(C)(C)[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001158080145 831626323 /nfs/dbraw/zinc/62/63/23/831626323.db2.gz ZCBYYPZOXXIGFB-LBPRGKRZSA-N 2 0 341.456 -0.070 20 0 EBADRP [NH3+][C@@H](COCc1ccccc1)CC(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158093482 831627093 /nfs/dbraw/zinc/62/70/93/831627093.db2.gz VQJWXMNCPURPKE-QAPCUYQASA-N 2 0 346.431 -0.389 20 0 EBADRP O=C(c1csc([C@H]2CCC[NH2+]2)n1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102515 831628250 /nfs/dbraw/zinc/62/82/50/831628250.db2.gz SYPZXRLZRIFCEH-BMIGLBTASA-N 2 0 335.433 -0.128 20 0 EBADRP [NH3+][C@H](CC(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)Cc1ccncc1 ZINC001158109310 831628946 /nfs/dbraw/zinc/62/89/46/831628946.db2.gz AVIJYLKPQPSZIH-KBXCAEBGSA-N 2 0 343.431 -0.720 20 0 EBADRP O=C([C@@H]1COC2(C1)CC[NH2+]CC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158111276 831629291 /nfs/dbraw/zinc/62/92/91/831629291.db2.gz MSHAPMAOWLEGJM-UGSOOPFHSA-N 2 0 348.447 -0.917 20 0 EBADRP O=C(c1cccc(O[C@@H]2CC[NH2+]C2)c1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158112666 831629993 /nfs/dbraw/zinc/62/99/93/831629993.db2.gz ZYNXCMTXGIWXHH-QAPCUYQASA-N 2 0 344.415 -0.269 20 0 EBADRP O=C([C@H]1[NH2+]Cc2ccccc21)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119905 831630016 /nfs/dbraw/zinc/63/00/16/831630016.db2.gz JAGBOJOEYHVLKQ-KBXCAEBGSA-N 2 0 326.400 -0.231 20 0 EBADRP Cc1nc(CC[NH3+])nn1-c1nc2c(c(N3CCOCC3)n1)C[NH2+]C2 ZINC001158131274 831631977 /nfs/dbraw/zinc/63/19/77/831631977.db2.gz SNZPENOCRFLRNA-UHFFFAOYSA-N 2 0 330.396 -0.693 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158196548 831638759 /nfs/dbraw/zinc/63/87/59/831638759.db2.gz NHAYIHIWWSMDRQ-JKSUJKDBSA-N 2 0 343.468 -0.552 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158196545 831639047 /nfs/dbraw/zinc/63/90/47/831639047.db2.gz NHAYIHIWWSMDRQ-HZPDHXFCSA-N 2 0 343.468 -0.552 20 0 EBADRP O=C([C@H]1C[NH2+][C@@H]2CCO[C@@H]21)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158263025 831641805 /nfs/dbraw/zinc/64/18/05/831641805.db2.gz YLCJWIFGCBHMJE-OUCADQQQSA-N 2 0 332.408 -0.924 20 0 EBADRP O=C([C@@H]1C[NH2+]C[C@@H]2CCO[C@@H]21)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277948 831642894 /nfs/dbraw/zinc/64/28/94/831642894.db2.gz YNUCPJYEDRTXGZ-GUTXKFCHSA-N 2 0 346.435 -0.677 20 0 EBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001158275560 831643086 /nfs/dbraw/zinc/64/30/86/831643086.db2.gz YJJAOZNKNPPGGV-UHFFFAOYSA-N 2 0 338.456 -0.368 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NCCC[NH2+][C@H]2CCCNC2=O)n1 ZINC001158287752 831643865 /nfs/dbraw/zinc/64/38/65/831643865.db2.gz JBAGLDZOBPJFPR-ZDUSSCGKSA-N 2 0 336.440 -0.567 20 0 EBADRP C[C@@H]([NH3+])c1ccn(-c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)n1 ZINC001158344508 831648024 /nfs/dbraw/zinc/64/80/24/831648024.db2.gz DIWYERZIMXRFSS-SECBINFHSA-N 2 0 336.421 -0.226 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001158404078 831651453 /nfs/dbraw/zinc/65/14/53/831651453.db2.gz PTCHYXUQOBFECR-QWHCGFSZSA-N 2 0 341.456 -0.342 20 0 EBADRP CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001158414629 831652772 /nfs/dbraw/zinc/65/27/72/831652772.db2.gz GXVNCLYGUSUCFY-JKIFEVAISA-N 2 0 339.436 -0.116 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)NC2CCOCC2)CC[N@@H+]1C ZINC001158420796 831653365 /nfs/dbraw/zinc/65/33/65/831653365.db2.gz KZYWKUWBSDCUGS-UKRRQHHQSA-N 2 0 340.468 -0.282 20 0 EBADRP CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001158430188 831654303 /nfs/dbraw/zinc/65/43/03/831654303.db2.gz DVRYTMYTYBYFGO-GFCCVEGCSA-N 2 0 336.396 -0.876 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158486109 831659082 /nfs/dbraw/zinc/65/90/82/831659082.db2.gz FSUIJWCMWWABSN-CABCVRRESA-N 2 0 340.468 -0.188 20 0 EBADRP CCn1ncc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001158487275 831660081 /nfs/dbraw/zinc/66/00/81/831660081.db2.gz XNIQSOSYIQZYKO-LSDHHAIUSA-N 2 0 336.440 -0.243 20 0 EBADRP CS(=O)(=O)CCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158505334 831660647 /nfs/dbraw/zinc/66/06/47/831660647.db2.gz BCBOPVZLXKPLJB-KBPBESRZSA-N 2 0 347.481 -0.620 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@]1(C)CC[NH2+]C[C@@H]1O ZINC001158496292 831660984 /nfs/dbraw/zinc/66/09/84/831660984.db2.gz MDWWTLCYEUGDJJ-DJUFWWRVSA-N 2 0 325.409 -0.901 20 0 EBADRP COc1cncc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001158508861 831662197 /nfs/dbraw/zinc/66/21/97/831662197.db2.gz XFCXIHZMTQSIOK-HUUCEWRRSA-N 2 0 349.435 -0.056 20 0 EBADRP [NH3+][C@H]1CN[C@H](C(=O)N(Cc2noc3c2C[NH2+]CC3)c2ncccn2)C1 ZINC001158657366 831675264 /nfs/dbraw/zinc/67/52/64/831675264.db2.gz CRGDARYRRITFBK-PWSUYJOCSA-N 2 0 343.391 -0.667 20 0 EBADRP O=C([C@H]1C[NH2+]CCN1)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158657312 831675567 /nfs/dbraw/zinc/67/55/67/831675567.db2.gz BEUQHEFTBIMGPE-GFCCVEGCSA-N 2 0 343.391 -0.795 20 0 EBADRP CCn1nnc2c1[C@H](COC)CN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001158791666 831686583 /nfs/dbraw/zinc/68/65/83/831686583.db2.gz ZGWRBBBDHNBDMO-RYUDHWBXSA-N 2 0 334.424 -0.821 20 0 EBADRP CCn1nnc2c1[C@H](COC)CN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001158790368 831686755 /nfs/dbraw/zinc/68/67/55/831686755.db2.gz LLEMJNYIVHYKQQ-GXTWGEPZSA-N 2 0 336.440 -0.303 20 0 EBADRP [NH3+][C@@H]1CN[C@H](C(=O)N(c2ncccc2F)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)C1 ZINC001158903630 831694727 /nfs/dbraw/zinc/69/47/27/831694727.db2.gz NZGLBGQGISJKDL-MYLCLEHYSA-N 2 0 349.410 -0.236 20 0 EBADRP COC[C@H]1CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])Cc2cn(C)nc21 ZINC001159019417 831703896 /nfs/dbraw/zinc/70/38/96/831703896.db2.gz PRIFGRTWTLNQAV-NEPJUHHUSA-N 2 0 327.454 -0.489 20 0 EBADRP CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C[C@@H]21 ZINC001159045437 831705233 /nfs/dbraw/zinc/70/52/33/831705233.db2.gz AHARIUOZMPJSKV-YIYPIFLZSA-N 2 0 326.441 -0.606 20 0 EBADRP CCO[C@@H]1CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)[C@@H]2CCCO[C@H]12 ZINC001159084440 831708227 /nfs/dbraw/zinc/70/82/27/831708227.db2.gz KWVUYACAZQGJOZ-FPCVCCKLSA-N 2 0 340.468 -0.468 20 0 EBADRP CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)C[C@H]21 ZINC001159108373 831709305 /nfs/dbraw/zinc/70/93/05/831709305.db2.gz ACVHQEKHQYPMIB-BARDWOONSA-N 2 0 338.452 -0.687 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001159148998 831711065 /nfs/dbraw/zinc/71/10/65/831711065.db2.gz QVGLVCKFBBCWQB-GFCCVEGCSA-N 2 0 345.419 -0.686 20 0 EBADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])C1 ZINC001159135714 831711437 /nfs/dbraw/zinc/71/14/37/831711437.db2.gz YACPQDFBXFQDBT-KBPBESRZSA-N 2 0 348.451 -0.647 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001159154750 831712504 /nfs/dbraw/zinc/71/25/04/831712504.db2.gz BVCDXRNUBBMZMX-MNOVXSKESA-N 2 0 333.408 -0.654 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCCC[NH2+]CCOCCNC(C)=O ZINC001159161534 831713540 /nfs/dbraw/zinc/71/35/40/831713540.db2.gz FCWSGZNOVQXGAE-OAHLLOKOSA-N 2 0 348.463 -0.085 20 0 EBADRP O=C([C@H]1C[NH2+]C[C@H]1O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159158051 831713852 /nfs/dbraw/zinc/71/38/52/831713852.db2.gz LAMVWFKCIXICBN-LSDHHAIUSA-N 2 0 333.436 -0.556 20 0 EBADRP N[C@@H](CC[NH3+])C(=O)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001159235905 831726513 /nfs/dbraw/zinc/72/65/13/831726513.db2.gz HMUXUSRKBBEXCI-AWEZNQCLSA-N 2 0 343.435 -0.367 20 0 EBADRP Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)C[NH2+]CCC[NH3+])cn1 ZINC001159235688 831726583 /nfs/dbraw/zinc/72/65/83/831726583.db2.gz CDYBEKWERYBZAE-KGLIPLIRSA-N 2 0 334.424 -0.826 20 0 EBADRP Cc1ccc(N2CCO[C@H]3CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@H]32)nn1 ZINC001159296518 831736271 /nfs/dbraw/zinc/73/62/71/831736271.db2.gz AWMLEOHBKUXKAO-ZNMIVQPWSA-N 2 0 348.451 -0.343 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159291865 831736548 /nfs/dbraw/zinc/73/65/48/831736548.db2.gz UJNIFYAODHTCPJ-MRXNPFEDSA-N 3 0 335.496 -0.319 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]C[C@@H](O)COCCOC ZINC001159334806 831741716 /nfs/dbraw/zinc/74/17/16/831741716.db2.gz IRVMGKRGSPLSMK-HZPDHXFCSA-N 2 0 345.484 -0.019 20 0 EBADRP Nc1ncn(C2=CCC[NH2+]C2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001159395931 831749133 /nfs/dbraw/zinc/74/91/33/831749133.db2.gz HNKVZPFWLFZVQL-ZYHUDNBSSA-N 2 0 338.843 -0.176 20 0 EBADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159402228 831749930 /nfs/dbraw/zinc/74/99/30/831749930.db2.gz FWOBTRTWRIJMHM-LXFSFDBISA-N 2 0 347.419 -0.843 20 0 EBADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1O)C2 ZINC001159482084 831755767 /nfs/dbraw/zinc/75/57/67/831755767.db2.gz YINMJTSBAJFDPM-YFHUEUNASA-N 2 0 337.464 -0.226 20 0 EBADRP Cc1noc([C@]23COC[C@H]2CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C3)n1 ZINC001159472322 831756081 /nfs/dbraw/zinc/75/60/81/831756081.db2.gz SFSMCEHLOOIHBG-DVOMOZLQSA-N 2 0 337.424 -0.049 20 0 EBADRP [NH3+]CCC[NH2+]CC(=O)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001159515609 831757782 /nfs/dbraw/zinc/75/77/82/831757782.db2.gz VBYDSAKASMSAPZ-UHFFFAOYSA-N 2 0 332.412 -0.806 20 0 EBADRP [NH3+]CC(=O)NCC(=O)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159549120 831760344 /nfs/dbraw/zinc/76/03/44/831760344.db2.gz JUOBTHIAWOIESM-UHFFFAOYSA-N 2 0 334.424 -0.668 20 0 EBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159560288 831761352 /nfs/dbraw/zinc/76/13/52/831761352.db2.gz JNDPQNYFWXLAIC-KBPBESRZSA-N 2 0 332.452 -0.196 20 0 EBADRP [NH3+]CCNCC(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666010 831770608 /nfs/dbraw/zinc/77/06/08/831770608.db2.gz NSSBHOOSALJPKJ-CVEARBPZSA-N 2 0 333.436 -0.568 20 0 EBADRP O=C([C@H]1[NH2+]CC[C@@H]1O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159668539 831771094 /nfs/dbraw/zinc/77/10/94/831771094.db2.gz XTWNWPQUYPJIKY-QAETUUGQSA-N 2 0 346.431 -0.394 20 0 EBADRP CN(CC[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1)S(C)(=O)=O ZINC001159854211 831788400 /nfs/dbraw/zinc/78/84/00/831788400.db2.gz MMQHLYWGUVALQK-UHFFFAOYSA-N 2 0 334.486 -0.542 20 0 EBADRP C[NH+](C)C1(C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)CCC1 ZINC001159860747 831789150 /nfs/dbraw/zinc/78/91/50/831789150.db2.gz DQGQNCJSSKUAKE-UHFFFAOYSA-N 2 0 325.413 -0.882 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001159868381 831789765 /nfs/dbraw/zinc/78/97/65/831789765.db2.gz BUBCZJGIHGIJMW-HIFRSBDPSA-N 2 0 340.468 -0.140 20 0 EBADRP O=C(NCCC[NH2+]CCOCCO)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001159868550 831790209 /nfs/dbraw/zinc/79/02/09/831790209.db2.gz GGWORLSAJHUIOG-MRXNPFEDSA-N 2 0 343.468 -0.265 20 0 EBADRP COC[C@H](O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001159868759 831790866 /nfs/dbraw/zinc/79/08/66/831790866.db2.gz LCSNTALVLKIJGD-HZPDHXFCSA-N 2 0 343.468 -0.267 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159914644 831797220 /nfs/dbraw/zinc/79/72/20/831797220.db2.gz FHEZYOYDYXFOAU-AAEUAGOBSA-N 2 0 341.456 -0.343 20 0 EBADRP C[N@H+](CC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1)C1CCC1 ZINC001159997602 831804930 /nfs/dbraw/zinc/80/49/30/831804930.db2.gz TWYGSOKFDRWQRU-OAHLLOKOSA-N 2 0 340.468 -0.138 20 0 EBADRP Cc1ccc(N(C(=O)[C@@H](N)C[NH3+])[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160049499 831810078 /nfs/dbraw/zinc/81/00/78/831810078.db2.gz AABDRVDDSIJREP-WWGRRREGSA-N 2 0 334.424 -0.685 20 0 EBADRP Cc1ccc(N(C(=O)[C@@H](N)C[NH3+])[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160049497 831810250 /nfs/dbraw/zinc/81/02/50/831810250.db2.gz AABDRVDDSIJREP-DVOMOZLQSA-N 2 0 334.424 -0.685 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCO[C@]2(CCCN(C(C)=O)C2)C1 ZINC001160178628 831822884 /nfs/dbraw/zinc/82/28/84/831822884.db2.gz HXJFZEZEIHCSMR-RDJZCZTQSA-N 2 0 340.468 -0.057 20 0 EBADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)CNCC[NH3+])CC1 ZINC001160391472 831841936 /nfs/dbraw/zinc/84/19/36/831841936.db2.gz MVYAJRAMFVYBIO-UHFFFAOYSA-N 2 0 325.457 -0.920 20 0 EBADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001160388167 831842259 /nfs/dbraw/zinc/84/22/59/831842259.db2.gz IFKXPYYCHCKHRE-FOLVSLTJSA-N 2 0 334.464 -0.003 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC001160505364 831857410 /nfs/dbraw/zinc/85/74/10/831857410.db2.gz CQTRKXRKNACTGY-GJZGRUSLSA-N 2 0 340.468 -0.057 20 0 EBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160585991 831867007 /nfs/dbraw/zinc/86/70/07/831867007.db2.gz UYUIMYWAKGSLEC-DGCLKSJQSA-N 2 0 330.388 -0.435 20 0 EBADRP CCOC(=O)[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160585152 831867149 /nfs/dbraw/zinc/86/71/49/831867149.db2.gz ZCOFFLGJVFINPM-KBPBESRZSA-N 2 0 326.441 -0.319 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)c2ccc(C(=O)NC3CC[NH2+]CC3)cc2)CCO1 ZINC001160645215 831875340 /nfs/dbraw/zinc/87/53/40/831875340.db2.gz PQPNVXATRSADAD-INIZCTEOSA-N 2 0 346.431 -0.032 20 0 EBADRP CN(CC1COC1)C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160646091 831875352 /nfs/dbraw/zinc/87/53/52/831875352.db2.gz VOAWICZDCVTRLJ-KBPBESRZSA-N 2 0 326.441 -0.462 20 0 EBADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001160696624 831878901 /nfs/dbraw/zinc/87/89/01/831878901.db2.gz XWMFWGKDQLRAIK-OLZOCXBDSA-N 2 0 333.440 -0.618 20 0 EBADRP CCOC(=O)[C@H]1c2nc[nH]c2CCN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001160788473 831886339 /nfs/dbraw/zinc/88/63/39/831886339.db2.gz RHPPVNBXKBOOJR-GXTWGEPZSA-N 2 0 335.408 -0.275 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3CC[C@@H]([NH3+])CO3)C[C@H]1C2 ZINC001160793558 831887467 /nfs/dbraw/zinc/88/74/67/831887467.db2.gz BEPQSPNNHBDFTF-WFTXNEMLSA-N 2 0 337.420 -0.650 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)C[C@H]1C[NH2+]CC2 ZINC001160811817 831889274 /nfs/dbraw/zinc/88/92/74/831889274.db2.gz VGDQLJFGHFFQGM-QFRSUPTLSA-N 2 0 337.420 -0.636 20 0 EBADRP O=C(NCCC[NH2+]CCN1CCNC1=O)C12CCC[NH+](CCC1)C2 ZINC001160834595 831892822 /nfs/dbraw/zinc/89/28/22/831892822.db2.gz MMVUHGWIAZLLBP-UHFFFAOYSA-N 2 0 337.468 -0.017 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCN(c2ccnc(N3CCCC3)n2)CC1 ZINC001160839547 831893717 /nfs/dbraw/zinc/89/37/17/831893717.db2.gz QJPFJCDZNOZBEP-AWEZNQCLSA-N 2 0 347.467 -0.208 20 0 EBADRP O=C([C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1)N(c1ncccn1)C1C[NH2+]C1 ZINC001160916122 831906499 /nfs/dbraw/zinc/90/64/99/831906499.db2.gz VGNHHIGKYBYUSZ-ZIAGYGMSSA-N 2 0 330.436 -0.145 20 0 EBADRP O=C([C@H]1CCCN([C@@H]2CC[NH2+]C2)C1)N(c1ncccn1)C1C[NH2+]C1 ZINC001160916121 831906583 /nfs/dbraw/zinc/90/65/83/831906583.db2.gz VGNHHIGKYBYUSZ-UONOGXRCSA-N 2 0 330.436 -0.145 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001160952275 831910340 /nfs/dbraw/zinc/91/03/40/831910340.db2.gz YHSPSODEMHKSEC-UHFFFAOYSA-N 2 0 340.468 -0.327 20 0 EBADRP [NH3+][C@H]1CN(C(=O)[C@@H]2Cn3cnnc3C23CC[NH2+]CC3)CC(F)(F)C1 ZINC001160968652 831911290 /nfs/dbraw/zinc/91/12/90/831911290.db2.gz UEEBEAIQVOWABC-MNOVXSKESA-N 2 0 340.378 -0.276 20 0 EBADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160973491 831911847 /nfs/dbraw/zinc/91/18/47/831911847.db2.gz VNRFXLXAJIGMMS-OLZOCXBDSA-N 2 0 340.374 -0.133 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161001499 831913395 /nfs/dbraw/zinc/91/33/95/831913395.db2.gz YQAVYMPIXZWXFE-MELADBBJSA-N 2 0 340.468 -0.420 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161009704 831913870 /nfs/dbraw/zinc/91/38/70/831913870.db2.gz WYVNBJUDELZHLM-JHJVBQTASA-N 2 0 325.409 -0.900 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])CC[NH2+]1 ZINC001161017388 831914240 /nfs/dbraw/zinc/91/42/40/831914240.db2.gz NSBYYRLFSBTOLE-RDBSUJKOSA-N 3 0 325.457 -0.746 20 0 EBADRP CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161065243 831919386 /nfs/dbraw/zinc/91/93/86/831919386.db2.gz VWRKTJNVBZUJJY-FRRDWIJNSA-N 2 0 328.457 -0.027 20 0 EBADRP COc1cc(N2CCN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)CC2)ncn1 ZINC001161093102 831923325 /nfs/dbraw/zinc/92/33/25/831923325.db2.gz IDQUMCTXCGNVQQ-CXAGYDPISA-N 2 0 346.435 -0.667 20 0 EBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161271185 831944124 /nfs/dbraw/zinc/94/41/24/831944124.db2.gz WWKNYECJKCSZGF-LSDHHAIUSA-N 2 0 348.451 -0.062 20 0 EBADRP COc1cc(C)nc(N(C(=O)[C@]2(N)CC[NH2+]C2)C2CC[NH2+]CC2)n1 ZINC001161308433 831946413 /nfs/dbraw/zinc/94/64/13/831946413.db2.gz CNHIFRAIARHKPS-INIZCTEOSA-N 2 0 334.424 -0.431 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161381530 831951242 /nfs/dbraw/zinc/95/12/42/831951242.db2.gz PERDNIUQJUCVSI-RBSFLKMASA-N 2 0 338.452 -0.591 20 0 EBADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)[NH2+]3)C2)CC1 ZINC001161377553 831951468 /nfs/dbraw/zinc/95/14/68/831951468.db2.gz HORAIAAPVHUHNX-CVEARBPZSA-N 3 0 335.496 -0.115 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1CCSC13C[NH2+]C3)CC2 ZINC001161478765 831963715 /nfs/dbraw/zinc/96/37/15/831963715.db2.gz NYOOCEGAHVPZPY-JMSVASOKSA-N 2 0 339.461 -0.165 20 0 EBADRP C[NH2+][C@@H]1CCCN(CC(=O)N2CC[C@@]3(C(=O)OC)CC[NH2+][C@H]3C2)C1 ZINC001161482962 831964582 /nfs/dbraw/zinc/96/45/82/831964582.db2.gz YDYWXOBJQNDGPB-KEYYUXOJSA-N 2 0 338.452 -0.576 20 0 EBADRP CO[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCCNC(=O)c2ccccn2)C[C@@H]1[NH3+] ZINC001161491314 831965758 /nfs/dbraw/zinc/96/57/58/831965758.db2.gz BGUJDRXQLFRLKC-KCQAQPDRSA-N 2 0 349.435 -0.507 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@]23C(=O)Nc2ccccc23)CC12COC2 ZINC001161508667 831967658 /nfs/dbraw/zinc/96/76/58/831967658.db2.gz GAELQAAVJISQKY-WPKBUWHJSA-N 2 0 342.399 -0.718 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161795634 831992358 /nfs/dbraw/zinc/99/23/58/831992358.db2.gz NAYWWLQEKSEOKI-HNNXBMFYSA-N 2 0 343.468 -0.265 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161789602 831992629 /nfs/dbraw/zinc/99/26/29/831992629.db2.gz SDFWFZHSNYUEOK-UHFFFAOYSA-N 2 0 339.440 -0.444 20 0 EBADRP C[NH+]1CCC(COc2cnc(N(CC[NH3+])S(C)(=O)=O)nc2)CC1 ZINC001162124067 832019603 /nfs/dbraw/zinc/01/96/03/832019603.db2.gz MKHIFHZKSGHUBW-UHFFFAOYSA-N 2 0 343.453 -0.078 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])c1ccc(C(=O)N2CCC([NH3+])CC2)cc1 ZINC001162130631 832021151 /nfs/dbraw/zinc/02/11/51/832021151.db2.gz DBXCJZSGKSGUTB-UHFFFAOYSA-N 2 0 340.449 -0.025 20 0 EBADRP COCC1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCN(CC(N)=O)CC1 ZINC001162326670 832034552 /nfs/dbraw/zinc/03/45/52/832034552.db2.gz HRAZIDISDFGPKG-AWEZNQCLSA-N 2 0 340.468 -0.199 20 0 EBADRP COC[C@H](O)C[NH+]1CCC(CNC(=O)CC[NH+](C)C)(COC)CC1 ZINC001162457902 832047854 /nfs/dbraw/zinc/04/78/54/832047854.db2.gz ARIMHWMBXSSBPL-OAHLLOKOSA-N 2 0 345.484 -0.210 20 0 EBADRP CC[C@@H](C(=O)NCC1(COC)CC[NH+](CC(=O)NC)CC1)[NH+](C)C ZINC001162487314 832048798 /nfs/dbraw/zinc/04/87/98/832048798.db2.gz CQXHLHRDGFXRKR-AWEZNQCLSA-N 2 0 342.484 -0.083 20 0 EBADRP Cn1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)n1 ZINC001162872511 832068282 /nfs/dbraw/zinc/06/82/82/832068282.db2.gz UWTVOIQXSZBDHF-GULBITTBSA-N 2 0 333.436 -0.121 20 0 EBADRP O=C(c1ccc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)cc1)N1CC[NH2+]CC1 ZINC001163254213 832094279 /nfs/dbraw/zinc/09/42/79/832094279.db2.gz QANYCHCWDYKYGI-YOEHRIQHSA-N 2 0 329.404 -0.278 20 0 EBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001212305607 837602297 /nfs/dbraw/zinc/60/22/97/837602297.db2.gz YJHWIEUHMXPPDT-WPRPVWTQSA-N 2 0 332.364 -0.726 20 0 EBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2)C1 ZINC001350060430 832111224 /nfs/dbraw/zinc/11/12/24/832111224.db2.gz DJOICOHFJWJVOZ-RBSFLKMASA-N 2 0 337.468 -0.922 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001350069869 832113166 /nfs/dbraw/zinc/11/31/66/832113166.db2.gz SFADPXGMLOOILG-LSDHHAIUSA-N 2 0 340.468 -0.471 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCNS(C)(=O)=O)CC1 ZINC001163821764 832142305 /nfs/dbraw/zinc/14/23/05/832142305.db2.gz PCAYOQSSCWIORZ-ZDUSSCGKSA-N 2 0 346.497 -0.494 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001350332136 832155577 /nfs/dbraw/zinc/15/55/77/832155577.db2.gz GBCVIGUZDQOBLF-ZDUSSCGKSA-N 2 0 339.484 -0.615 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001164449597 832188610 /nfs/dbraw/zinc/18/86/10/832188610.db2.gz NOJOQQQBHYMREZ-ZDUSSCGKSA-N 2 0 338.456 -0.174 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@H](C)c2nnnn2C)C1 ZINC001164539147 832195539 /nfs/dbraw/zinc/19/55/39/832195539.db2.gz TWZVSRULBCABNF-CHWSQXEVSA-N 2 0 339.444 -0.524 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NCCC2(C[NH2+]CC(N)=O)CC2)n1 ZINC001164572168 832198568 /nfs/dbraw/zinc/19/85/68/832198568.db2.gz HTHFTDABBVJENS-UHFFFAOYSA-N 2 0 336.440 -0.580 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCC2(C[NH2+]CC(=O)NC(N)=O)CC2)CC[N@@H+]1C ZINC001164582657 832199885 /nfs/dbraw/zinc/19/98/85/832199885.db2.gz MBGKPGLMWSIRSH-VXGBXAGGSA-N 2 0 339.440 -0.602 20 0 EBADRP COC[C@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165261675 832209333 /nfs/dbraw/zinc/20/93/33/832209333.db2.gz BWAKSSMNUHSCCN-GJZGRUSLSA-N 2 0 345.484 -0.164 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165361118 832217606 /nfs/dbraw/zinc/21/76/06/832217606.db2.gz YIFBBEGIYOIKBI-UHFFFAOYSA-N 2 0 336.502 -0.294 20 0 EBADRP COC[C@@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165359738 832217799 /nfs/dbraw/zinc/21/77/99/832217799.db2.gz ILKVMXHSQHOLQU-CABCVRRESA-N 2 0 333.473 -0.164 20 0 EBADRP Cn1c(C[NH2+]CCCNC(=O)CCC[NH+](C)C)cc(=O)n(C)c1=O ZINC001165378470 832218632 /nfs/dbraw/zinc/21/86/32/832218632.db2.gz MSIRPBMMQPTKGW-UHFFFAOYSA-N 2 0 339.440 -0.978 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1cncc(N2CC[NH2+]CC2)n1 ZINC001165407774 832219288 /nfs/dbraw/zinc/21/92/88/832219288.db2.gz WPXRXDAIVCJTLW-MELADBBJSA-N 2 0 346.435 -0.384 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C)C[C@H](C)O1 ZINC001165781053 832237392 /nfs/dbraw/zinc/23/73/92/832237392.db2.gz DNDSKUJGTNNVOU-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP CCCNC(=O)CN(C)C(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165788385 832237659 /nfs/dbraw/zinc/23/76/59/832237659.db2.gz INRLKHKZYHJFOQ-UHFFFAOYSA-N 2 0 343.472 -0.981 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166004344 832245864 /nfs/dbraw/zinc/24/58/64/832245864.db2.gz MMWDFYGKDQKPBD-OAHLLOKOSA-N 2 0 330.473 -0.179 20 0 EBADRP CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)[NH+](CC)CC ZINC001166448447 832261804 /nfs/dbraw/zinc/26/18/04/832261804.db2.gz TUILVGSSQYPWEZ-RYUDHWBXSA-N 2 0 329.445 -0.214 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001166626417 832275396 /nfs/dbraw/zinc/27/53/96/832275396.db2.gz GDTFIMVGUUPSSA-ZDUSSCGKSA-N 2 0 339.440 -0.492 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001166667761 832277854 /nfs/dbraw/zinc/27/78/54/832277854.db2.gz HXEDZWPADRDXDL-CYBMUJFWSA-N 2 0 336.440 -0.254 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166676634 832278739 /nfs/dbraw/zinc/27/87/39/832278739.db2.gz ABRHYBNEVONZDB-LSDHHAIUSA-N 2 0 342.484 -0.035 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001166677228 832279015 /nfs/dbraw/zinc/27/90/15/832279015.db2.gz HNLVNMIRHXUWGR-CQSZACIVSA-N 2 0 346.497 -0.540 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001166678451 832280179 /nfs/dbraw/zinc/28/01/79/832280179.db2.gz VNEXXKMJSOOCNT-AWEZNQCLSA-N 2 0 348.513 -0.294 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166678147 832280319 /nfs/dbraw/zinc/28/03/19/832280319.db2.gz TZXWGOUIBXJUHA-RYUDHWBXSA-N 2 0 327.429 -0.732 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC1CCOCC1 ZINC001166707722 832281016 /nfs/dbraw/zinc/28/10/16/832281016.db2.gz IHWAEQRFHWBRTB-HIFRSBDPSA-N 2 0 340.468 -0.425 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001166707276 832281220 /nfs/dbraw/zinc/28/12/20/832281220.db2.gz FESIRFMZLBMPPC-ZIAGYGMSSA-N 2 0 326.441 -0.861 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)Nc1cnccn1 ZINC001166708614 832282713 /nfs/dbraw/zinc/28/27/13/832282713.db2.gz UUTWQCJZHMWSNU-OLZOCXBDSA-N 2 0 334.424 -0.291 20 0 EBADRP CN(CC[NH2+]CCCNC(=O)C[N@@H+]1CCC(C)(C)C1)S(C)(=O)=O ZINC001166765167 832286504 /nfs/dbraw/zinc/28/65/04/832286504.db2.gz VJINUVFZPRTYFZ-UHFFFAOYSA-N 2 0 348.513 -0.294 20 0 EBADRP C[N@H+](CC(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O)CC(C)(C)C ZINC001166744445 832286926 /nfs/dbraw/zinc/28/69/26/832286926.db2.gz XJWKWZSLIWTIJB-GFCCVEGCSA-N 2 0 326.441 -0.135 20 0 EBADRP CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C)[NH+](C)C ZINC001166851456 832294129 /nfs/dbraw/zinc/29/41/29/832294129.db2.gz AVRBFXPPESBMGK-OLZOCXBDSA-N 2 0 343.472 -0.985 20 0 EBADRP CC[C@@H]([NH2+]CCCNC(=O)COC[C@H](C)[NH+]1CCCC1)C(N)=O ZINC001166930224 832299534 /nfs/dbraw/zinc/29/95/34/832299534.db2.gz AMBVMOHSWOQDPK-UONOGXRCSA-N 2 0 328.457 -0.153 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166970971 832304409 /nfs/dbraw/zinc/30/44/09/832304409.db2.gz AFTJZNGLQMBHEW-UHFFFAOYSA-N 2 0 327.429 -0.730 20 0 EBADRP C[NH+](C)CCC(=O)NCCC1(C[NH2+]CCNS(C)(=O)=O)CC1 ZINC001166987791 832305326 /nfs/dbraw/zinc/30/53/26/832305326.db2.gz VDZBZSAORALZFS-UHFFFAOYSA-N 2 0 334.486 -0.637 20 0 EBADRP CC(C)[C@H](C(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1)[NH+](C)C ZINC001167045349 832307709 /nfs/dbraw/zinc/30/77/09/832307709.db2.gz SQRQCZUAGCBAPK-CYBMUJFWSA-N 2 0 341.456 -0.356 20 0 EBADRP COCCCNC(=O)C[NH2+]CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167655487 832361115 /nfs/dbraw/zinc/36/11/15/832361115.db2.gz RGUVJUXCHDXIOW-UHFFFAOYSA-N 2 0 342.484 -0.033 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001167641323 832361244 /nfs/dbraw/zinc/36/12/44/832361244.db2.gz XZQKZDHCLRAYCA-LBPRGKRZSA-N 2 0 341.456 -0.212 20 0 EBADRP COC[C@@H](O)C[NH2+]CC1(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001167732384 832368164 /nfs/dbraw/zinc/36/81/64/832368164.db2.gz ASCVAASANUNLAW-AWEZNQCLSA-N 2 0 331.457 -0.552 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC1(C[NH2+][C@H]2CCNC2=O)CC1 ZINC001167732790 832368283 /nfs/dbraw/zinc/36/82/83/832368283.db2.gz NEEOROXSOOHCSZ-ZDUSSCGKSA-N 2 0 326.441 -0.671 20 0 EBADRP Cn1[nH]c(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)nc1=O ZINC001168022414 832387873 /nfs/dbraw/zinc/38/78/73/832387873.db2.gz OTOSULULRQAKID-STQMWFEESA-N 2 0 336.440 -0.279 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC2(C[NH2+]CCN3CCNC3=O)CC2)C1 ZINC001168136035 832399146 /nfs/dbraw/zinc/39/91/46/832399146.db2.gz DZQUILQVOMSZON-AWEZNQCLSA-N 2 0 337.468 -0.161 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCC1(C[NH2+]CCNS(C)(=O)=O)CC1 ZINC001168345556 832415821 /nfs/dbraw/zinc/41/58/21/832415821.db2.gz QIJXIIORIYONJD-UHFFFAOYSA-N 2 0 348.513 -0.248 20 0 EBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC[N@@H+]1C ZINC001353263248 832418583 /nfs/dbraw/zinc/41/85/83/832418583.db2.gz XXJJMGKNPPLSFA-UTUOFQBUSA-N 2 0 332.395 -0.054 20 0 EBADRP C[NH+](C)Cc1ccc(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)cc1 ZINC001168433726 832420469 /nfs/dbraw/zinc/42/04/69/832420469.db2.gz FWNHXZZLFUKXHZ-UHFFFAOYSA-N 2 0 335.408 -0.347 20 0 EBADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CCNCC[NH2+]CC1 ZINC001353449225 832428399 /nfs/dbraw/zinc/42/83/99/832428399.db2.gz WSLUQZZNESNNEE-CQSZACIVSA-N 2 0 325.457 -0.651 20 0 EBADRP CC[NH+](CC)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC)C(C)C ZINC001168667265 832431525 /nfs/dbraw/zinc/43/15/25/832431525.db2.gz QQSYSZMDBAXPIK-CQSZACIVSA-N 2 0 343.472 -0.096 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001168763158 832434372 /nfs/dbraw/zinc/43/43/72/832434372.db2.gz KZLQKHGUUMWDSK-HNNXBMFYSA-N 2 0 345.484 -0.019 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001168763936 832435350 /nfs/dbraw/zinc/43/53/50/832435350.db2.gz VGNNWEDQBXTSBC-UHFFFAOYSA-N 2 0 339.440 -0.978 20 0 EBADRP CC(=O)N1CC[C@H]([NH2+]CCCOCCOCCOCCC[NH3+])C1 ZINC001169503493 832465863 /nfs/dbraw/zinc/46/58/63/832465863.db2.gz GNAXVVQQCFVKFJ-INIZCTEOSA-N 2 0 331.457 -0.015 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C[C@H]1[NH3+] ZINC001354269999 832476332 /nfs/dbraw/zinc/47/63/32/832476332.db2.gz MLCBNRHFARJNKZ-BXUZGUMPSA-N 2 0 334.424 -0.106 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccc(N2CC[NH2+][C@H](C)C2)nn1 ZINC001170870428 832530000 /nfs/dbraw/zinc/53/00/00/832530000.db2.gz RIUJCYWEUPQFFF-JHJVBQTASA-N 2 0 334.424 -0.162 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001171160639 832549831 /nfs/dbraw/zinc/54/98/31/832549831.db2.gz HVWGAZCELGYHCU-QWHCGFSZSA-N 2 0 341.456 -0.342 20 0 EBADRP C[C@@H]1CCCN(C(=O)C[NH2+]CCCNC(=O)COCC[NH+](C)C)C1 ZINC001171204840 832550584 /nfs/dbraw/zinc/55/05/84/832550584.db2.gz GREAFHBNIFRXKD-OAHLLOKOSA-N 2 0 342.484 -0.081 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]Cc1ncnn1CCF ZINC001171205741 832550764 /nfs/dbraw/zinc/55/07/64/832550764.db2.gz WXHDFCNLBIJCLU-UHFFFAOYSA-N 2 0 330.408 -0.578 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171216421 832551444 /nfs/dbraw/zinc/55/14/44/832551444.db2.gz IOEFBUJYONVYHQ-CYBMUJFWSA-N 2 0 341.456 -0.340 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2)NC[C@H]1CCCO1 ZINC001171303267 832555742 /nfs/dbraw/zinc/55/57/42/832555742.db2.gz CQVZETUUMSHHQU-CQSZACIVSA-N 2 0 338.452 -0.527 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171303187 832555896 /nfs/dbraw/zinc/55/58/96/832555896.db2.gz AAYCBZZGZNQMGG-NSHDSACASA-N 2 0 325.413 -0.978 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001171354891 832557605 /nfs/dbraw/zinc/55/76/05/832557605.db2.gz RSWDHKZZYXCEPZ-UHFFFAOYSA-N 2 0 334.424 -0.118 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O ZINC001171762767 832574974 /nfs/dbraw/zinc/57/49/74/832574974.db2.gz KHMVFPBTHSZQOF-UHFFFAOYSA-N 2 0 327.429 -0.634 20 0 EBADRP CCN1CC[C@@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C1 ZINC001173356196 832583528 /nfs/dbraw/zinc/58/35/28/832583528.db2.gz CBCPQFQJDBCFJY-MRXNPFEDSA-N 2 0 333.473 -0.305 20 0 EBADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCCN2CC[NH+](C)CC2)C[C@@H]1C(=O)OC ZINC001173563609 832584951 /nfs/dbraw/zinc/58/49/51/832584951.db2.gz LUZQNKMTRVWGJF-QDMKHBRRSA-N 2 0 341.452 -0.046 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H]2CCN2C2CCOCC2)CC1 ZINC001356113787 832601378 /nfs/dbraw/zinc/60/13/78/832601378.db2.gz NVVOEMZYZZEYQG-IRXDYDNUSA-N 2 0 326.485 -0.562 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C ZINC001175048010 832613835 /nfs/dbraw/zinc/61/38/35/832613835.db2.gz FJJICENKZPOJDC-LBPRGKRZSA-N 2 0 329.445 -0.342 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001176056299 832653893 /nfs/dbraw/zinc/65/38/93/832653893.db2.gz FPTJWUBPQJISBZ-KBPBESRZSA-N 2 0 346.497 -0.685 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001176057038 832654215 /nfs/dbraw/zinc/65/42/15/832654215.db2.gz MHKORMXXVCOXLR-KBPBESRZSA-N 2 0 326.441 -0.983 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176095451 832656299 /nfs/dbraw/zinc/65/62/99/832656299.db2.gz CDNYHGGLFIFUEC-LBPRGKRZSA-N 2 0 327.429 -0.588 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(=O)NC1CC1 ZINC001176096682 832657073 /nfs/dbraw/zinc/65/70/73/832657073.db2.gz WQLNSJINOXQMJC-RYUDHWBXSA-N 2 0 339.440 -0.589 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)C[NH+]1CCCC1)C(=O)NC[C@@H]1CCCO1 ZINC001176118376 832657961 /nfs/dbraw/zinc/65/79/61/832657961.db2.gz NQOPOJSYIZUVPG-CABCVRRESA-N 2 0 340.468 -0.138 20 0 EBADRP CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176160424 832660193 /nfs/dbraw/zinc/66/01/93/832660193.db2.gz FBAWLSPLCNNMNF-CABCVRRESA-N 2 0 342.484 -0.035 20 0 EBADRP COC[C@H](O)C[NH2+]CCCC[C@@H](C)NC(=O)COCC[NH+](C)C ZINC001176155314 832660281 /nfs/dbraw/zinc/66/02/81/832660281.db2.gz AQQGQSHXXZDEGY-HUUCEWRRSA-N 2 0 333.473 -0.164 20 0 EBADRP CCCNC(=O)C[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176161046 832660288 /nfs/dbraw/zinc/66/02/88/832660288.db2.gz MIXAHPJLZUDHAL-CQSZACIVSA-N 2 0 328.457 -0.423 20 0 EBADRP COC[C@@H](O)C[NH2+]CCCC[C@H](C)NC(=O)COCC[NH+](C)C ZINC001176155313 832660330 /nfs/dbraw/zinc/66/03/30/832660330.db2.gz AQQGQSHXXZDEGY-GJZGRUSLSA-N 2 0 333.473 -0.164 20 0 EBADRP CCCCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176169841 832661392 /nfs/dbraw/zinc/66/13/92/832661392.db2.gz OFVPSYQCQNZFTG-HNNXBMFYSA-N 2 0 342.484 -0.033 20 0 EBADRP C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCCC1)C(=O)NC(N)=O ZINC001176591102 832680169 /nfs/dbraw/zinc/68/01/69/832680169.db2.gz GZSWKZNHZJLXLV-QWHCGFSZSA-N 2 0 341.456 -0.070 20 0 EBADRP C[NH+](C)Cc1cccc(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)c1 ZINC001176889872 832701313 /nfs/dbraw/zinc/70/13/13/832701313.db2.gz GZXLVOMPFIWKBW-UHFFFAOYSA-N 2 0 335.408 -0.347 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001176986281 832726184 /nfs/dbraw/zinc/72/61/84/832726184.db2.gz JNVYNFUUDXEBMO-CVEARBPZSA-N 2 0 345.484 -0.021 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001176992769 832727483 /nfs/dbraw/zinc/72/74/83/832727483.db2.gz ZRDOPJLBAUQSKZ-VXGBXAGGSA-N 2 0 327.429 -0.460 20 0 EBADRP C[NH+](C)C1(C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)CCC1 ZINC001178688002 832901031 /nfs/dbraw/zinc/90/10/31/832901031.db2.gz BMOZKOKXVZHNFK-UHFFFAOYSA-N 2 0 341.456 -0.068 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001178902371 832928084 /nfs/dbraw/zinc/92/80/84/832928084.db2.gz NLKFDQUAFPBZCB-JSGCOSHPSA-N 2 0 346.497 -0.401 20 0 EBADRP CC(=O)N1CCC([NH+]2CCC(C(=O)NCC[NH2+]CCO)CC2)CC1 ZINC001179014758 832941314 /nfs/dbraw/zinc/94/13/14/832941314.db2.gz NXEHXFKBZXRYGT-UHFFFAOYSA-N 2 0 340.468 -0.593 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001179336878 832971241 /nfs/dbraw/zinc/97/12/41/832971241.db2.gz DTAJKLVLIYOURA-IHRRRGAJSA-N 2 0 346.497 -0.401 20 0 EBADRP C[NH+](C)CCCC(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001179400807 832973712 /nfs/dbraw/zinc/97/37/12/832973712.db2.gz XNWSWPIRWRYZPC-UHFFFAOYSA-N 2 0 329.445 -0.211 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCN2C(=O)CNC2=O)CCN1C(=O)CC[NH+](C)C ZINC001179486400 832981912 /nfs/dbraw/zinc/98/19/12/832981912.db2.gz MEQDAEKQZSQQPP-RYUDHWBXSA-N 2 0 325.413 -0.931 20 0 EBADRP C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCS(C)(=O)=O)[C@@H]2C)C1 ZINC001179538385 832986071 /nfs/dbraw/zinc/98/60/71/832986071.db2.gz BWPGRBUVOJMKST-RDBSUJKOSA-N 2 0 331.482 -0.048 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3cnccn3)C2)C1 ZINC001187106114 833901875 /nfs/dbraw/zinc/90/18/75/833901875.db2.gz BNPZUKWGDQJMDG-UONOGXRCSA-N 2 0 346.435 -0.053 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001187298961 833917149 /nfs/dbraw/zinc/91/71/49/833917149.db2.gz UEYHUVCIOPWRHT-GFCCVEGCSA-N 2 0 327.429 -0.636 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001187321966 833919476 /nfs/dbraw/zinc/91/94/76/833919476.db2.gz JYHQTSNYHMDEBQ-CYBMUJFWSA-N 2 0 334.486 -0.590 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001188146161 834013351 /nfs/dbraw/zinc/01/33/51/834013351.db2.gz WOOVUNPMPVBHPA-CABCVRRESA-N 2 0 340.468 -0.188 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001188158323 834017013 /nfs/dbraw/zinc/01/70/13/834017013.db2.gz KYIRWDAYOLPXDC-UONOGXRCSA-N 2 0 331.482 -0.048 20 0 EBADRP CN(CCC(=O)N1CC[C@H]2CN(CC(N)=O)C[C@H]21)c1cc[nH+]cc1 ZINC001188405176 834043712 /nfs/dbraw/zinc/04/37/12/834043712.db2.gz CLBCDKLJDWNDQH-DZGCQCFKSA-N 2 0 331.420 -0.074 20 0 EBADRP CC(=O)NCCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189389751 834150197 /nfs/dbraw/zinc/15/01/97/834150197.db2.gz LDTRFHLYHXTVIO-CVEARBPZSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(C)C(=O)CN1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189802378 834193454 /nfs/dbraw/zinc/19/34/54/834193454.db2.gz XGGJASYYJOAOMT-UONOGXRCSA-N 2 0 326.441 -0.815 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001189819924 834194558 /nfs/dbraw/zinc/19/45/58/834194558.db2.gz FDGYWNSRAMCUII-LSDHHAIUSA-N 2 0 336.440 -0.611 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)[C@H](C)C(=O)NC(N)=O)C1 ZINC001190996462 834393514 /nfs/dbraw/zinc/39/35/14/834393514.db2.gz FBEUTKUQURQUJA-VXGBXAGGSA-N 2 0 341.456 -0.167 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192142038 834616256 /nfs/dbraw/zinc/61/62/56/834616256.db2.gz GPTXGQLYIVEEMP-YPMHNXCESA-N 2 0 339.440 -0.556 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192142036 834616485 /nfs/dbraw/zinc/61/64/85/834616485.db2.gz GPTXGQLYIVEEMP-WCQYABFASA-N 2 0 339.440 -0.556 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)CCN2C(=O)CNC2=O)C1 ZINC001192169906 834621761 /nfs/dbraw/zinc/62/17/61/834621761.db2.gz FLSIACPGPGKEAJ-GFCCVEGCSA-N 2 0 325.413 -0.977 20 0 EBADRP COCCOC[C@H](O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC001192253107 834631799 /nfs/dbraw/zinc/63/17/99/834631799.db2.gz PMUBEUOBPXQECI-ZACQAIPSSA-N 2 0 329.485 -0.032 20 0 EBADRP COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001193024368 834781998 /nfs/dbraw/zinc/78/19/98/834781998.db2.gz OCNSFMKJJFYCHY-ARFHVFGLSA-N 2 0 325.453 -0.084 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@H](C)C(=O)NC(N)=O)C1 ZINC001193278903 834825250 /nfs/dbraw/zinc/82/52/50/834825250.db2.gz KURYCOXDKPPAKH-NEPJUHHUSA-N 2 0 327.429 -0.556 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@H](C)C(=O)NC(=O)NC)C1 ZINC001193280721 834827540 /nfs/dbraw/zinc/82/75/40/834827540.db2.gz XKKHLWCVPDYZRI-OLZOCXBDSA-N 2 0 341.456 -0.295 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193559064 834906483 /nfs/dbraw/zinc/90/64/83/834906483.db2.gz GYBUHKMDGYMONQ-OLZOCXBDSA-N 2 0 341.456 -0.166 20 0 EBADRP CO[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638424 837827070 /nfs/dbraw/zinc/82/70/70/837827070.db2.gz NVSGJBGUOQTIMP-NWANDNLSSA-N 2 0 329.441 -0.707 20 0 EBADRP CC(=O)NCCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194001332 834994609 /nfs/dbraw/zinc/99/46/09/834994609.db2.gz GXZSXFZMNKKNEY-HZPDHXFCSA-N 2 0 340.468 -0.377 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194295563 835075358 /nfs/dbraw/zinc/07/53/58/835075358.db2.gz RAKYXGUEVYXAAY-OLZOCXBDSA-N 2 0 341.456 -0.297 20 0 EBADRP COCCOC[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194293719 835075426 /nfs/dbraw/zinc/07/54/26/835075426.db2.gz ITUFASRQZVPAPO-JKSUJKDBSA-N 2 0 345.484 -0.117 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194295566 835075746 /nfs/dbraw/zinc/07/57/46/835075746.db2.gz RAKYXGUEVYXAAY-QWHCGFSZSA-N 2 0 341.456 -0.297 20 0 EBADRP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194832450 835154899 /nfs/dbraw/zinc/15/48/99/835154899.db2.gz OWWNWZQZTGVECH-QJNCVLDKSA-N 2 0 339.436 -0.953 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]2O)CC1 ZINC001195677537 835271755 /nfs/dbraw/zinc/27/17/55/835271755.db2.gz SBQQYUPGXBPOFZ-MGPQQGTHSA-N 2 0 348.451 -0.732 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCc3ncnn32)C[C@H]1O ZINC001195702094 835274222 /nfs/dbraw/zinc/27/42/22/835274222.db2.gz XIBVZGJPTBVZHO-MGPQQGTHSA-N 2 0 336.440 -0.732 20 0 EBADRP C[NH+](C)CCC(=O)N1CCCN(CC(=O)NC[C@@H]2CCOC2)CC1 ZINC001197048211 835498327 /nfs/dbraw/zinc/49/83/27/835498327.db2.gz ANBCTUXBRDRMTE-HNNXBMFYSA-N 2 0 340.468 -0.375 20 0 EBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cnc(=O)n(CCOC)c1 ZINC001197714484 835600679 /nfs/dbraw/zinc/60/06/79/835600679.db2.gz MAVBLXYXDAQBEU-UHFFFAOYSA-N 2 0 338.412 -0.433 20 0 EBADRP COCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825174 835613192 /nfs/dbraw/zinc/61/31/92/835613192.db2.gz AVMGFDNULIYTCV-HUUCEWRRSA-N 2 0 331.457 -0.457 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1O ZINC001197826425 835613692 /nfs/dbraw/zinc/61/36/92/835613692.db2.gz WTBBYRNMZAOHJW-HUUCEWRRSA-N 2 0 329.441 -0.848 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@H]1O ZINC001197826019 835613859 /nfs/dbraw/zinc/61/38/59/835613859.db2.gz MFCRPXHDKUMTLS-RRFJBIMHSA-N 2 0 329.441 -0.705 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001198112992 835642782 /nfs/dbraw/zinc/64/27/82/835642782.db2.gz HAGPKDGSWJSLIO-CVEARBPZSA-N 2 0 343.468 -0.504 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001199787881 835861567 /nfs/dbraw/zinc/86/15/67/835861567.db2.gz GURMGHWGBHHGGN-AAEUAGOBSA-N 2 0 339.440 -0.495 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001200122059 835913076 /nfs/dbraw/zinc/91/30/76/835913076.db2.gz AVTASPMFCOPTFU-HUUCEWRRSA-N 2 0 338.452 -0.434 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001200122056 835913253 /nfs/dbraw/zinc/91/32/53/835913253.db2.gz AVTASPMFCOPTFU-GJZGRUSLSA-N 2 0 338.452 -0.434 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NC)C2)CC[N@@H+]1C ZINC001200553878 835985169 /nfs/dbraw/zinc/98/51/69/835985169.db2.gz BHKYMGLWCACDKI-SOUVJXGZSA-N 2 0 340.468 -0.330 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CCCO1 ZINC001200688065 836014386 /nfs/dbraw/zinc/01/43/86/836014386.db2.gz KCTOECWZXRDLLV-GOEBONIOSA-N 2 0 340.468 -0.330 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001200688772 836016894 /nfs/dbraw/zinc/01/68/94/836016894.db2.gz VUUKDYUIDNNSLD-HUUCEWRRSA-N 2 0 340.468 -0.058 20 0 EBADRP CC[C@@H]([NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1)C(N)=O ZINC001200705256 836021499 /nfs/dbraw/zinc/02/14/99/836021499.db2.gz WSAHQHRQXYXTGS-LSDHHAIUSA-N 2 0 340.468 -0.058 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200720943 836023385 /nfs/dbraw/zinc/02/33/85/836023385.db2.gz FCNWNQCRVHBJSZ-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCCO1 ZINC001200736954 836027354 /nfs/dbraw/zinc/02/73/54/836027354.db2.gz HUDUTJNEJOYDBE-OAGGEKHMSA-N 2 0 345.484 -0.213 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCCO[C@H](C[NH2+]CCOCCO)C1)[NH+](C)C ZINC001200738923 836028360 /nfs/dbraw/zinc/02/83/60/836028360.db2.gz ZRZFFRUPWJWAIX-CVEARBPZSA-N 2 0 345.484 -0.211 20 0 EBADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CCCO1 ZINC001200795418 836034792 /nfs/dbraw/zinc/03/47/92/836034792.db2.gz JLWZJGIIRMFOLZ-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP NC(=O)C[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCCO1 ZINC001200795169 836036385 /nfs/dbraw/zinc/03/63/85/836036385.db2.gz HGDUSYCCMYMYFY-AWEZNQCLSA-N 2 0 338.452 -0.445 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCOCCO)C1 ZINC001200808117 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345.484 -0.069 20 0 EBADRP C[C@H]([NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1)C(=O)NC(N)=O ZINC001202496795 836307721 /nfs/dbraw/zinc/30/77/21/836307721.db2.gz YVOKPOKHBIUNOA-NEPJUHHUSA-N 2 0 339.440 -0.365 20 0 EBADRP CN1CCC[C@@H]([NH2+]C2CCN(C(=O)COCC[NH+](C)C)CC2)C1=O ZINC001203349240 836423509 /nfs/dbraw/zinc/42/35/09/836423509.db2.gz JZILDFQGNMOLJR-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP CN1CC[C@@H]([NH2+]C2CCN(C(=O)COCC[NH+](C)C)CC2)C1=O ZINC001203354845 836424283 /nfs/dbraw/zinc/42/42/83/836424283.db2.gz IZDPZDOCYRSBKP-CQSZACIVSA-N 2 0 326.441 -0.624 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001203349420 836424518 /nfs/dbraw/zinc/42/45/18/836424518.db2.gz OETSIIJAGSPKNM-UHFFFAOYSA-N 2 0 337.424 -0.882 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203359941 836426177 /nfs/dbraw/zinc/42/61/77/836426177.db2.gz VODGDDWYJCOLSI-NEPJUHHUSA-N 2 0 339.440 -0.589 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001203613874 836453027 /nfs/dbraw/zinc/45/30/27/836453027.db2.gz GIHYDBPHKCIZCF-RYUDHWBXSA-N 2 0 349.435 -0.706 20 0 EBADRP CCNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)COCC[NH+](C)C)C12CCC2 ZINC001203614041 836453416 /nfs/dbraw/zinc/45/34/16/836453416.db2.gz HHUUYQGHLFHSQZ-KGLIPLIRSA-N 2 0 340.468 -0.282 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]C[C@H](O)Cn3cccn3)CC2)C1 ZINC001203699434 836462701 /nfs/dbraw/zinc/46/27/01/836462701.db2.gz LXGXCBBZKJZBFI-HOCLYGCPSA-N 2 0 335.452 -0.224 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001203708913 836464487 /nfs/dbraw/zinc/46/44/87/836464487.db2.gz GPXZHUPJOAAGEF-INIZCTEOSA-N 2 0 343.468 -0.313 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001203714504 836466365 /nfs/dbraw/zinc/46/63/65/836466365.db2.gz MHUHTHAPAPULSC-UHFFFAOYSA-N 2 0 346.497 -0.398 20 0 EBADRP C[C@H]([NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C(=O)NC(N)=O ZINC001204798945 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-0.045 20 0 EBADRP CN(CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1)S(C)(=O)=O ZINC001207688443 836846083 /nfs/dbraw/zinc/84/60/83/836846083.db2.gz PHVHZMXKASSZBS-KBPBESRZSA-N 2 0 346.497 -0.447 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001208073096 836940283 /nfs/dbraw/zinc/94/02/83/836940283.db2.gz BQYWMUVEAVPPIU-RWMBFGLXSA-N 2 0 339.440 -0.508 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208261222 836965027 /nfs/dbraw/zinc/96/50/27/836965027.db2.gz LFGPOKYCFLRPJS-RYUDHWBXSA-N 2 0 345.419 -0.558 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001208422791 837028429 /nfs/dbraw/zinc/02/84/29/837028429.db2.gz AYKBHWWIZVXTLP-UONOGXRCSA-N 2 0 346.497 -0.400 20 0 EBADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447340 837043001 /nfs/dbraw/zinc/04/30/01/837043001.db2.gz FGGURMZOHRLZCF-ZIAGYGMSSA-N 2 0 325.457 -0.210 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208446970 837043362 /nfs/dbraw/zinc/04/33/62/837043362.db2.gz DUCSPBLQSFHIRD-NSHDSACASA-N 2 0 327.429 -0.508 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001208453620 837044620 /nfs/dbraw/zinc/04/46/20/837044620.db2.gz LGUIKXUHGSNEKA-LBPRGKRZSA-N 2 0 341.456 -0.247 20 0 EBADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C)[NH+](C)C ZINC001208707475 837102427 /nfs/dbraw/zinc/10/24/27/837102427.db2.gz KHIGLLFBTCWNPS-MCIONIFRSA-N 2 0 338.452 -0.088 20 0 EBADRP Cn1[nH]c(C[NH2+][C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)nc1=O ZINC001209279406 837150126 /nfs/dbraw/zinc/15/01/26/837150126.db2.gz XNDHERMKSRKMDF-GFCCVEGCSA-N 2 0 336.440 -0.469 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209322900 837156042 /nfs/dbraw/zinc/15/60/42/837156042.db2.gz BDRTYMLSIIALLX-CQSZACIVSA-N 2 0 348.513 -0.152 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209453761 837167357 /nfs/dbraw/zinc/16/73/57/837167357.db2.gz CSFFPCBOEGCZIJ-AWEZNQCLSA-N 2 0 348.513 -0.152 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209447056 837167644 /nfs/dbraw/zinc/16/76/44/837167644.db2.gz WKWAJYPPIPVVHY-VXGBXAGGSA-N 2 0 327.429 -0.637 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)[NH+](CC)CC ZINC001209615103 837182147 /nfs/dbraw/zinc/18/21/47/837182147.db2.gz SEFYGRNZWMNXTK-OLZOCXBDSA-N 2 0 341.456 -0.118 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001209631569 837183726 /nfs/dbraw/zinc/18/37/26/837183726.db2.gz DYJRWSCDFGMSQG-ZIAGYGMSSA-N 2 0 346.497 -0.400 20 0 EBADRP CC[C@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209836146 837203678 /nfs/dbraw/zinc/20/36/78/837203678.db2.gz HAXSZAYKQBRTRB-BPLDGKMQSA-N 2 0 340.468 -0.202 20 0 EBADRP C[NH+]1CCC(CC(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001209951851 837220513 /nfs/dbraw/zinc/22/05/13/837220513.db2.gz NWMHJPZLKAQBEZ-CYBMUJFWSA-N 2 0 339.440 -0.506 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001210221257 837256180 /nfs/dbraw/zinc/25/61/80/837256180.db2.gz YPODUNPLXVMXRC-CYBMUJFWSA-N 2 0 339.440 -0.539 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]C[C@H](O)COCCOC)C1 ZINC001210494307 837290100 /nfs/dbraw/zinc/29/01/00/837290100.db2.gz UMDQEJLKECUWIL-HOTGVXAUSA-N 2 0 345.484 -0.067 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001210669613 837315520 /nfs/dbraw/zinc/31/55/20/837315520.db2.gz YZUUKTAJBNCPBZ-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001210673438 837317016 /nfs/dbraw/zinc/31/70/16/837317016.db2.gz CCUJBIDIIOTOHX-KGLIPLIRSA-N 2 0 346.497 -0.542 20 0 EBADRP O=C(N1CCC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001210685766 837320170 /nfs/dbraw/zinc/32/01/70/837320170.db2.gz YURVYSZZOKINBQ-CVEARBPZSA-N 2 0 347.463 -0.080 20 0 EBADRP CN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)COCC[NH+](C)C)C2)C1=O ZINC001210684989 837320372 /nfs/dbraw/zinc/32/03/72/837320372.db2.gz KYUZYGQKFKCDJF-ZIAGYGMSSA-N 2 0 326.441 -0.624 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211064431 837378310 /nfs/dbraw/zinc/37/83/10/837378310.db2.gz NKBJCPOTVNVRSA-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211082926 837383746 /nfs/dbraw/zinc/38/37/46/837383746.db2.gz ZXYMDPAXHASAEU-CYBMUJFWSA-N 2 0 339.440 -0.492 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211089857 837384195 /nfs/dbraw/zinc/38/41/95/837384195.db2.gz BBRARURLHPYWRW-QWHCGFSZSA-N 2 0 339.440 -0.493 20 0 EBADRP CO[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730668 837854753 /nfs/dbraw/zinc/85/47/53/837854753.db2.gz UTQJVXJUNWMUSQ-HZPDHXFCSA-N 2 0 343.468 -0.193 20 0 EBADRP COCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213857436 837881763 /nfs/dbraw/zinc/88/17/63/837881763.db2.gz NKEGZEZXEVGOOI-RBSFLKMASA-N 2 0 329.441 -0.584 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CCNC(=O)NC(C)(C)C)C1 ZINC001320316533 838756443 /nfs/dbraw/zinc/75/64/43/838756443.db2.gz YEAAJPFKNPFAHX-CHWSQXEVSA-N 2 0 343.472 -0.898 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001320448695 838771371 /nfs/dbraw/zinc/77/13/71/838771371.db2.gz XBNZUHVQYMYWDH-NSHDSACASA-N 2 0 327.429 -0.589 20 0 EBADRP C[C@@H](CC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001320450672 838772903 /nfs/dbraw/zinc/77/29/03/838772903.db2.gz QLHCOAMSLVGCIZ-STQMWFEESA-N 2 0 338.456 -0.033 20 0 EBADRP C[C@@H](CC[NH2+]CC(=O)N1CCO[C@H](C)C1)NC(=O)CC[NH+](C)C ZINC001320543143 838788427 /nfs/dbraw/zinc/78/84/27/838788427.db2.gz LZEJGCSVNFCHNZ-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@@H](CC[NH2+]Cc1cn(C)nn1)NC(=O)COC1CC[NH+](C)CC1 ZINC001320593379 838798142 /nfs/dbraw/zinc/79/81/42/838798142.db2.gz BDPAXONWPOXOSS-ZDUSSCGKSA-N 2 0 338.456 -0.090 20 0 EBADRP C[C@@H](CC[NH2+]CCN1CCNC1=O)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001320608034 838802133 /nfs/dbraw/zinc/80/21/33/838802133.db2.gz MVZXBQGGHDRSCT-KBPBESRZSA-N 2 0 325.457 -0.162 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001320633696 838808014 /nfs/dbraw/zinc/80/80/14/838808014.db2.gz JWPUHDHLUVJSGA-QWHCGFSZSA-N 2 0 341.456 -0.342 20 0 EBADRP CCN(CC[NH2+]CCN(C)S(C)(=O)=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001320811055 838841137 /nfs/dbraw/zinc/84/11/37/838841137.db2.gz HWSWAVWCNMTDES-CYBMUJFWSA-N 2 0 334.486 -0.590 20 0 EBADRP CS(=O)(=O)CC[NH2+]C/C=C\CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001321063915 838896361 /nfs/dbraw/zinc/89/63/61/838896361.db2.gz JLYPXHNCRRTVGU-PYLYLYNFSA-N 2 0 329.466 -0.365 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001321896104 839097044 /nfs/dbraw/zinc/09/70/44/839097044.db2.gz JOVSIHPQMUIYID-STQMWFEESA-N 2 0 334.486 -0.496 20 0 EBADRP CN(CCC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)C12CCC[NH+]1CCC2 ZINC001322593462 839211567 /nfs/dbraw/zinc/21/15/67/839211567.db2.gz ZBINDYQDYQSSHQ-CYBMUJFWSA-N 2 0 336.436 -0.142 20 0 EBADRP O=C(N[C@@H](C[NH2+][C@H]1CCC(=O)NC1=O)C1CC1)C12CC[NH+](CC1)C2 ZINC001323092676 839346710 /nfs/dbraw/zinc/34/67/10/839346710.db2.gz BLOVVWRKAFPXOV-STQMWFEESA-N 2 0 334.420 -0.628 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@]3(CC[NH+](CCOCCO)C3)C2)C1 ZINC001323871682 839548204 /nfs/dbraw/zinc/54/82/04/839548204.db2.gz FBPIIDXIPDPITN-WBVHZDCISA-N 2 0 325.453 -0.129 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001324181096 839602415 /nfs/dbraw/zinc/60/24/15/839602415.db2.gz NTLPIDQGGTUGEB-UONOGXRCSA-N 2 0 346.497 -0.400 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCNS(C)(=O)=O ZINC001324181097 839603901 /nfs/dbraw/zinc/60/39/01/839603901.db2.gz NTLPIDQGGTUGEB-ZIAGYGMSSA-N 2 0 346.497 -0.400 20 0 EBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC001325422178 839864266 /nfs/dbraw/zinc/86/42/66/839864266.db2.gz GXPDFAUNHONVJP-LSDHHAIUSA-N 2 0 339.484 -0.613 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C)C2)n1 ZINC001326015320 840003898 /nfs/dbraw/zinc/00/38/98/840003898.db2.gz MIDHOALHNBEKQX-ZDUSSCGKSA-N 2 0 336.440 -0.159 20 0 EBADRP C[C@H](O)C[NH2+]CCN(CCO)C(=O)[C@@H]1COCCN1C1CCCC1 ZINC001326080142 840026088 /nfs/dbraw/zinc/02/60/88/840026088.db2.gz OPVQAGOGLXPDNN-HOCLYGCPSA-N 2 0 343.468 -0.579 20 0 EBADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)C2)CC1 ZINC001326155308 840051857 /nfs/dbraw/zinc/05/18/57/840051857.db2.gz DFKQIBAYCXHINA-FUHWJXTLSA-N 3 0 339.528 -0.647 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC001326372254 840093487 /nfs/dbraw/zinc/09/34/87/840093487.db2.gz PKDCVZUOEOEWCT-OAHLLOKOSA-N 2 0 339.484 -0.612 20 0 EBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC001326602293 840146595 /nfs/dbraw/zinc/14/65/95/840146595.db2.gz SAACJZJYLNNHMF-UHFFFAOYSA-N 2 0 340.468 -0.199 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC001326654991 840164762 /nfs/dbraw/zinc/16/47/62/840164762.db2.gz QUIRMQSWXUWVQG-AWEZNQCLSA-N 2 0 326.441 -0.528 20 0 EBADRP COCCC[NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CCO1 ZINC001327050726 840288227 /nfs/dbraw/zinc/28/82/27/840288227.db2.gz VXGNNUHEKLJHFK-MRXNPFEDSA-N 2 0 343.468 -0.049 20 0 EBADRP CN(CCC[N@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001327258935 840343425 /nfs/dbraw/zinc/34/34/25/840343425.db2.gz WVPDMLBIAAHCGG-AWEZNQCLSA-N 2 0 338.452 -0.086 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H](C)[C@H]1O ZINC001327291055 840353658 /nfs/dbraw/zinc/35/36/58/840353658.db2.gz QEEDMALMVZFKPL-FICVDOATSA-N 2 0 342.484 -0.587 20 0 EBADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC001327515248 840441881 /nfs/dbraw/zinc/44/18/81/840441881.db2.gz LCTBNQTYNHOSPT-ZFWWWQNUSA-N 2 0 338.452 -0.386 20 0 EBADRP [NH3+]CCCCCCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001327846331 840533352 /nfs/dbraw/zinc/53/33/52/840533352.db2.gz IHOQYBKXPJMNLP-HNNXBMFYSA-N 2 0 340.468 -0.009 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001327943971 840555295 /nfs/dbraw/zinc/55/52/95/840555295.db2.gz OVEKUDAHFBNHDL-GOEBONIOSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CC1(C(=O)NC2CC(C[NH2+][C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001328903357 840783436 /nfs/dbraw/zinc/78/34/36/840783436.db2.gz AEHKMAASWQVMBU-BPCQOVAHSA-N 2 0 336.436 -0.382 20 0 EBADRP C[NH2+]CCOCCNC(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001328965620 840800854 /nfs/dbraw/zinc/80/08/54/840800854.db2.gz MDFDLTBAAYNRSI-ZDUSSCGKSA-N 2 0 325.417 -0.681 20 0 EBADRP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001329057209 840828450 /nfs/dbraw/zinc/82/84/50/840828450.db2.gz POFDDDKUHAJUQL-RYUDHWBXSA-N 2 0 339.440 -0.495 20 0 EBADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001330054124 841103534 /nfs/dbraw/zinc/10/35/34/841103534.db2.gz YTOAKUBOSWUJFS-QWHCGFSZSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H]1CCOC1 ZINC001330209092 841144565 /nfs/dbraw/zinc/14/45/65/841144565.db2.gz NOSGKADQAQVVTG-KGLIPLIRSA-N 2 0 328.457 -0.521 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC001330527282 841229461 /nfs/dbraw/zinc/22/94/61/841229461.db2.gz XKIYJZSHSNEHBI-UHFFFAOYSA-N 2 0 333.436 -0.031 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001330532812 841231202 /nfs/dbraw/zinc/23/12/02/841231202.db2.gz SLTIWTVXLGVESH-OBJOEFQTSA-N 2 0 326.441 -0.402 20 0 EBADRP [NH3+]CC1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC001330542460 841233858 /nfs/dbraw/zinc/23/38/58/841233858.db2.gz ADAUQYQLRIQSCG-OAHLLOKOSA-N 2 0 338.452 -0.447 20 0 EBADRP CSCCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001330742428 841265894 /nfs/dbraw/zinc/26/58/94/841265894.db2.gz PCRGJFHWYRYINJ-GFCCVEGCSA-N 2 0 328.482 -0.250 20 0 EBADRP Cc1ncc(NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cn1 ZINC001330815434 841277662 /nfs/dbraw/zinc/27/76/62/841277662.db2.gz RRTDFYWFQVCTSU-ZIAGYGMSSA-N 2 0 348.451 -0.079 20 0 EBADRP C[C@@H](CCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001330955843 841302542 /nfs/dbraw/zinc/30/25/42/841302542.db2.gz URZBNPIOBMTJSQ-STQMWFEESA-N 2 0 338.456 -0.175 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC001331133676 841347854 /nfs/dbraw/zinc/34/78/54/841347854.db2.gz JHTBYUTXTWRRQN-GJZGRUSLSA-N 2 0 338.452 -0.434 20 0 EBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1(C)C ZINC001331169529 841363006 /nfs/dbraw/zinc/36/30/06/841363006.db2.gz WITIRNMRJLEBHJ-KGLIPLIRSA-N 2 0 339.484 -0.485 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCC2([NH3+])CCOCC2)[C@H](C)C1 ZINC001331752677 841483016 /nfs/dbraw/zinc/48/30/16/841483016.db2.gz FOSPVTHLBZIWHM-KGLIPLIRSA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCc2cn3c(n2)SCC3)CC1 ZINC001331969182 841540028 /nfs/dbraw/zinc/54/00/28/841540028.db2.gz BJKBZTCFZMNOQO-CQSZACIVSA-N 2 0 325.482 -0.271 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CCCO1 ZINC001332232553 841596059 /nfs/dbraw/zinc/59/60/59/841596059.db2.gz OBZSAZLBYDJTII-ILXRZTDVSA-N 2 0 340.468 -0.010 20 0 EBADRP CN1CC[NH+](CC2(C)CC[NH+](CC(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC001332423471 841638937 /nfs/dbraw/zinc/63/89/37/841638937.db2.gz CFTGCJCDYUERGE-UHFFFAOYSA-N 3 0 337.512 -0.232 20 0 EBADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC[N@@H+]1C ZINC001332434949 841641176 /nfs/dbraw/zinc/64/11/76/841641176.db2.gz YIRLEMMSDDSUOF-XJKCOSOUSA-N 2 0 326.441 -0.760 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CCNC(=O)C1CC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001332531217 841663111 /nfs/dbraw/zinc/66/31/11/841663111.db2.gz ZVFHOIIHHHKNRM-GJZGRUSLSA-N 2 0 340.468 -0.594 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC001332866109 841754926 /nfs/dbraw/zinc/75/49/26/841754926.db2.gz OIGZXDVFJLIGKJ-CHWSQXEVSA-N 2 0 339.440 -0.589 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2CNC(=O)CC[NH2+]CCO)C1 ZINC001333165790 841809322 /nfs/dbraw/zinc/80/93/22/841809322.db2.gz NDZPVGZJDYLGFJ-CABCVRRESA-N 2 0 340.468 -0.593 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1C(F)(F)F ZINC001333407186 841869040 /nfs/dbraw/zinc/86/90/40/841869040.db2.gz ZUSMUHXOWBOMMW-FOGDFJRCSA-N 2 0 348.369 -0.065 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC001333627442 841919394 /nfs/dbraw/zinc/91/93/94/841919394.db2.gz YXVGHNICVGPKNN-ZDUSSCGKSA-N 2 0 326.441 -0.399 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)NCCC1CC[NH+](C)CC1)C[NH+](C)C ZINC001333832471 841952394 /nfs/dbraw/zinc/95/23/94/841952394.db2.gz HNTCVLMVEGRALU-HNNXBMFYSA-N 2 0 342.484 -0.083 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NCCC1CC[NH+](C)CC1)C[NH+](C)C ZINC001333832472 841952488 /nfs/dbraw/zinc/95/24/88/841952488.db2.gz HNTCVLMVEGRALU-OAHLLOKOSA-N 2 0 342.484 -0.083 20 0 EBADRP O=C(NCCCN1CC[NH2+]CC1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001335538389 842301158 /nfs/dbraw/zinc/30/11/58/842301158.db2.gz SVJJRMKNTJOQOK-JKSUJKDBSA-N 2 0 339.484 -0.478 20 0 EBADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2COC)CC1 ZINC001335751696 842349584 /nfs/dbraw/zinc/34/95/84/842349584.db2.gz PPXYWCVTRDIYRE-CQSZACIVSA-N 2 0 326.441 -0.576 20 0 EBADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC001336135306 842403701 /nfs/dbraw/zinc/40/37/01/842403701.db2.gz HQYJEGIGZNZPCL-DLBZAZTESA-N 2 0 329.485 -0.104 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001336633400 842520775 /nfs/dbraw/zinc/52/07/75/842520775.db2.gz XHPYSYFQRUXQGM-OLZOCXBDSA-N 2 0 326.441 -0.815 20 0 EBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3COCC[NH2+]3)C[C@@H]2C1 ZINC001336659511 842530746 /nfs/dbraw/zinc/53/07/46/842530746.db2.gz UJTXLVRMCSPURK-CBBWQLFWSA-N 2 0 338.452 -0.720 20 0 EBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001336677847 842533980 /nfs/dbraw/zinc/53/39/80/842533980.db2.gz UTZFFSCMWKUNRN-RRFJBIMHSA-N 2 0 337.468 -0.909 20 0 EBADRP CC(C)[NH+]1CCC(O)(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001336795553 842543379 /nfs/dbraw/zinc/54/33/79/842543379.db2.gz WOJTYPYVSADHKE-INIZCTEOSA-N 3 0 328.501 -0.580 20 0 EBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)CC[N@@H+]1C ZINC001338276691 842774827 /nfs/dbraw/zinc/77/48/27/842774827.db2.gz FCXOUXOBLBDSMX-OLZOCXBDSA-N 2 0 326.441 -0.448 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@]1(C)C[C@H](O)C[NH2+]1 ZINC001340206288 842981699 /nfs/dbraw/zinc/98/16/99/842981699.db2.gz QTKKWMXSZABIOJ-XEZPLFJOSA-N 2 0 326.441 -0.842 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@H]21 ZINC001340821059 843033634 /nfs/dbraw/zinc/03/36/34/843033634.db2.gz JGXJBUOEGRICDO-RDBSUJKOSA-N 2 0 347.481 -0.906 20 0 EBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001341664873 843104010 /nfs/dbraw/zinc/10/40/10/843104010.db2.gz GQXSIXNNIHHMKD-AGIUHOORSA-N 2 0 349.401 -0.673 20 0 EBADRP CC(CC[NH+]1CCN(C)[C@@H](CO)C1)CC[N@@H+]1CCN(C)[C@@H](CO)C1 ZINC001341801925 843115272 /nfs/dbraw/zinc/11/52/72/843115272.db2.gz RPMYCCWDISTSJI-QZTJIDSGSA-N 2 0 342.528 -0.381 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1COC(C)(C)C1 ZINC001342346158 843156345 /nfs/dbraw/zinc/15/63/45/843156345.db2.gz JVEAOWVVZURYNR-ZDUSSCGKSA-N 2 0 328.457 -0.378 20 0 EBADRP [NH3+]CCN1CCC[C@H](C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)C1=O ZINC001342504866 843165315 /nfs/dbraw/zinc/16/53/15/843165315.db2.gz CHPHVULUGWNAOJ-RDBSUJKOSA-N 2 0 340.493 -0.120 20 0 EBADRP C[NH+](C)CCCCC(=O)N1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001343388985 843232180 /nfs/dbraw/zinc/23/21/80/843232180.db2.gz OZPAMBGQECMSBB-ZNMIVQPWSA-N 2 0 340.468 -0.642 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001345319206 843385777 /nfs/dbraw/zinc/38/57/77/843385777.db2.gz VNFASDDELSPDBY-DZGCQCFKSA-N 2 0 340.468 -0.188 20 0 EBADRP O=C(NCC[NH2+]CCNC(=O)C12CCC(CC1)[NH2+]2)C12CCC(CC1)[NH2+]2 ZINC001345797377 843448768 /nfs/dbraw/zinc/44/87/68/843448768.db2.gz DBOHUYLTOVSNRJ-UHFFFAOYSA-N 3 0 349.479 -0.622 20 0 EBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC001346514715 843524206 /nfs/dbraw/zinc/52/42/06/843524206.db2.gz IAYVXBRLUBXACC-OKILXGFUSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@H](NC(=O)NCCN(C)CCC[NH+](C)C)[C@@H]1C[N@H+](C)CCN1C ZINC001346766431 843550284 /nfs/dbraw/zinc/55/02/84/843550284.db2.gz INFQVVPAFRLGKL-HOTGVXAUSA-N 2 0 342.532 -0.197 20 0 EBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC001347075549 843588257 /nfs/dbraw/zinc/58/82/57/843588257.db2.gz SRNBOUZUSBKCLF-VXGBXAGGSA-N 2 0 348.407 -1.000 20 0 EBADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001347107821 843592615 /nfs/dbraw/zinc/59/26/15/843592615.db2.gz DBTPXGXZNSWDHN-HRCADAONSA-N 3 0 325.501 -0.237 20 0 EBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)N3CCC[NH2+]CC3)CC2)CC1 ZINC001348715155 843740328 /nfs/dbraw/zinc/74/03/28/843740328.db2.gz URQBNNLGBLAAMN-UHFFFAOYSA-N 2 0 337.468 -0.953 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001349380389 843894988 /nfs/dbraw/zinc/89/49/88/843894988.db2.gz YOXIIVJWBGTEBN-UHFFFAOYSA-N 2 0 338.452 -0.575 20 0 EBADRP CN(CCNC(=O)C[N@H+](C)C1CCC1)C[C@@H]1CCS(=O)(=O)C1 ZINC001480873916 1125798876 /nfs/dbraw/zinc/79/88/76/1125798876.db2.gz OJPUKMQQQNTOAM-ZDUSSCGKSA-N 2 0 331.482 -0.047 20 0 EBADRP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CCC(=O)NC1=O ZINC001691037754 1125808939 /nfs/dbraw/zinc/80/89/39/1125808939.db2.gz XYYYXXOTKNGFBS-MELADBBJSA-N 2 0 338.452 -0.040 20 0 EBADRP O=C(NCc1nc(C[NH2+]CCCO)cc(=O)[nH]1)C12CCC[NH+]1CCC2 ZINC001691421663 1125859813 /nfs/dbraw/zinc/85/98/13/1125859813.db2.gz LCYAGVWYRIHRCL-UHFFFAOYSA-N 2 0 349.435 -0.101 20 0 EBADRP CN(CC[NH2+]CC(=O)NC(=O)NC1CC1)C(=O)C1CC[NH+](C)CC1 ZINC001691458817 1125881771 /nfs/dbraw/zinc/88/17/71/1125881771.db2.gz IDBMOZKMFOQCMT-UHFFFAOYSA-N 2 0 339.440 -0.636 20 0 EBADRP CC[C@@H](C(=O)NCC[N@H+](C)CCN1C(=O)NC(C)(C)C1=O)[NH+](C)C ZINC001480936942 1125884691 /nfs/dbraw/zinc/88/46/91/1125884691.db2.gz WQKDXJLGYLSESX-LBPRGKRZSA-N 2 0 341.456 -0.295 20 0 EBADRP C[C@H](C(=O)Nc1ncccn1)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001480946575 1125889173 /nfs/dbraw/zinc/88/91/73/1125889173.db2.gz SQBBTLSZHANQNH-CHWSQXEVSA-N 2 0 334.424 -0.197 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)CCN1CCNC1=O ZINC001480951848 1125892567 /nfs/dbraw/zinc/89/25/67/1125892567.db2.gz OYDGKENGFTVMQR-AWEZNQCLSA-N 2 0 325.457 -0.066 20 0 EBADRP CCNC(=O)CN1CCC[C@@H]1CNC(=O)CCN1CCOCC1 ZINC001481064888 1125916016 /nfs/dbraw/zinc/91/60/16/1125916016.db2.gz MKZYAOGAAHPQNY-CQSZACIVSA-N 2 0 326.441 -0.575 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCN2CCNS(C)(=O)=O)C1 ZINC001481066432 1125916465 /nfs/dbraw/zinc/91/64/65/1125916465.db2.gz UQQICVWXMCWQFF-UONOGXRCSA-N 2 0 346.497 -0.542 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001481095916 1125920911 /nfs/dbraw/zinc/92/09/11/1125920911.db2.gz NHDNGGQXAMXSPB-VXGBXAGGSA-N 2 0 345.419 -0.701 20 0 EBADRP CN(CC[NH2+]CC(=O)NC[C@@H]1CCOC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001481216360 1125945833 /nfs/dbraw/zinc/94/58/33/1125945833.db2.gz YTZWFURFALRDGP-KBPBESRZSA-N 2 0 326.441 -0.719 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001481280027 1125963047 /nfs/dbraw/zinc/96/30/47/1125963047.db2.gz NEVRWKORBXZZTP-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP CN(CC[NH2+]C[C@H]1CCS(=O)(=O)C1)C(=O)C12CC[NH+](CC1)C2 ZINC001481304137 1125969403 /nfs/dbraw/zinc/96/94/03/1125969403.db2.gz JSUZZXCOAPXELY-CYBMUJFWSA-N 2 0 329.466 -0.435 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CC[NH2+]CC(=O)NC1CC1 ZINC001481314465 1125970776 /nfs/dbraw/zinc/97/07/76/1125970776.db2.gz GMNDNQOBWWRCDN-ZDUSSCGKSA-N 2 0 326.441 -0.719 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001481320343 1125974042 /nfs/dbraw/zinc/97/40/42/1125974042.db2.gz YTCSVUSGHGANAR-GFCCVEGCSA-N 2 0 341.456 -0.249 20 0 EBADRP O=C(Cc1c[nH]cn1)NCC[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001481449221 1125991859 /nfs/dbraw/zinc/99/18/59/1125991859.db2.gz AESWQNHKEJKFQR-WCQYABFASA-N 2 0 333.392 -0.414 20 0 EBADRP O=C(NCC[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001481455603 1125993351 /nfs/dbraw/zinc/99/33/51/1125993351.db2.gz BIHPRWCKHRWLOU-KGLIPLIRSA-N 2 0 348.447 -0.284 20 0 EBADRP CC[C@@H](C(=O)N(CC)[C@@H]1CCN(CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001481779642 1126056190 /nfs/dbraw/zinc/05/61/90/1126056190.db2.gz VGRZROCBCRILRB-KGLIPLIRSA-N 2 0 348.513 -0.201 20 0 EBADRP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)NC(N)=O ZINC001482061896 1126074946 /nfs/dbraw/zinc/07/49/46/1126074946.db2.gz ROBMBUDEXKEQIP-XQQFMLRXSA-N 2 0 339.440 -0.365 20 0 EBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH2+]CCN(C)S(C)(=O)=O ZINC001482103637 1126078228 /nfs/dbraw/zinc/07/82/28/1126078228.db2.gz XJMGSOWVECQICD-MGPQQGTHSA-N 2 0 348.513 -0.440 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482300093 1126123037 /nfs/dbraw/zinc/12/30/37/1126123037.db2.gz XMMOKSLBUILMMR-KBPBESRZSA-N 2 0 348.513 -0.154 20 0 EBADRP C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482317049 1126129787 /nfs/dbraw/zinc/12/97/87/1126129787.db2.gz NHKGCTNBPFJBCI-RYUDHWBXSA-N 2 0 341.456 -0.119 20 0 EBADRP C[C@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482320443 1126130508 /nfs/dbraw/zinc/13/05/08/1126130508.db2.gz SZUJXBVNPRANCB-KGLIPLIRSA-N 2 0 348.513 -0.201 20 0 EBADRP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001482495771 1126185101 /nfs/dbraw/zinc/18/51/01/1126185101.db2.gz RJLXMSRFGSIWGL-NEPJUHHUSA-N 2 0 327.429 -0.650 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001409177474 1126225053 /nfs/dbraw/zinc/22/50/53/1126225053.db2.gz ONOXXOHVODQTJL-AWEZNQCLSA-N 2 0 340.468 -0.519 20 0 EBADRP Cc1nc(CNC[C@@H](O)CNC(=O)[C@@H]2CN(C)CCO2)c(C)o1 ZINC001482719661 1126257727 /nfs/dbraw/zinc/25/77/27/1126257727.db2.gz YGMQCMDKNDIJMX-OCCSQVGLSA-N 2 0 326.397 -0.811 20 0 EBADRP O=C(NC[C@@H](O)C[NH2+]CCN1CCCC1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482727838 1126268102 /nfs/dbraw/zinc/26/81/02/1126268102.db2.gz CRMYWAWDEADPTP-LSDHHAIUSA-N 2 0 338.452 -0.983 20 0 EBADRP CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001482730337 1126269241 /nfs/dbraw/zinc/26/92/41/1126269241.db2.gz XBIMETPLYXNCHL-ZFWWWQNUSA-N 2 0 340.468 -0.546 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@H](O)C[NH2+]CC(=O)NC2CCCC2)CCC1 ZINC001482737767 1126272072 /nfs/dbraw/zinc/27/20/72/1126272072.db2.gz SXKMNWSQHDBMRB-CQSZACIVSA-N 2 0 340.468 -0.404 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C2CC2)CC[N@@H+]1C ZINC001482761445 1126280155 /nfs/dbraw/zinc/28/01/55/1126280155.db2.gz IOSKKPVSPYMKFP-YDHLFZDLSA-N 2 0 340.468 -0.596 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]CC(=O)Nc2ccon2)C1 ZINC001482767169 1126277322 /nfs/dbraw/zinc/27/73/22/1126277322.db2.gz LKGLUMYKAHEDAU-NWDGAFQWSA-N 2 0 339.396 -0.978 20 0 EBADRP CC(C)(C(=O)NC[C@H](O)C[NH2+]CCN1CCCC1=O)[NH+]1CCCC1 ZINC001482756867 1126278898 /nfs/dbraw/zinc/27/88/98/1126278898.db2.gz VOSTYEARFKYNGW-CQSZACIVSA-N 2 0 340.468 -0.450 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]C[C@@H](O)CC(F)(F)F)CC1 ZINC001482765105 1126281416 /nfs/dbraw/zinc/28/14/16/1126281416.db2.gz FHPALCMLKBUGJR-NWDGAFQWSA-N 2 0 341.374 -0.292 20 0 EBADRP CC(C)N(C)C(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001482764959 1126281522 /nfs/dbraw/zinc/28/15/22/1126281522.db2.gz ZSOLYFZEOHCKDK-HIFRSBDPSA-N 2 0 342.484 -0.350 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001482775533 1126285403 /nfs/dbraw/zinc/28/54/03/1126285403.db2.gz RUWPBLZNAQOFCP-GJZGRUSLSA-N 2 0 340.468 -0.405 20 0 EBADRP C[C@H]([NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001482784807 1126290106 /nfs/dbraw/zinc/29/01/06/1126290106.db2.gz MRYWSWLNGCFQKK-SMDDNHRTSA-N 2 0 326.441 -0.951 20 0 EBADRP CCOC1CC(C[NH2+]C[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001482785607 1126290752 /nfs/dbraw/zinc/29/07/52/1126290752.db2.gz KXWGDDVAGDIVRJ-SHARSMKWSA-N 2 0 325.453 -0.036 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@H](O)C[NH2+]C[C@@H](O)CC(F)(F)F ZINC001482793935 1126292869 /nfs/dbraw/zinc/29/28/69/1126292869.db2.gz UAAVDTCVRJAWGN-WDEREUQCSA-N 2 0 327.347 -0.538 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001482838992 1126297156 /nfs/dbraw/zinc/29/71/56/1126297156.db2.gz HMWPKFPSPWWABT-GFCCVEGCSA-N 2 0 341.456 -0.199 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC(=O)NC(N)=O ZINC001482847530 1126297899 /nfs/dbraw/zinc/29/78/99/1126297899.db2.gz FDMPDJKPGRNWDE-QWHCGFSZSA-N 2 0 341.456 -0.214 20 0 EBADRP CCN(CC[NH2+]CCN1C(=O)CCC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001482963295 1126306789 /nfs/dbraw/zinc/30/67/89/1126306789.db2.gz INVADQRIBAJJHS-UHFFFAOYSA-N 2 0 336.436 -0.331 20 0 EBADRP C[C@H]([NH2+]C/C=C\CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(=O)NC(N)=O ZINC001483023277 1126314269 /nfs/dbraw/zinc/31/42/69/1126314269.db2.gz XBGLHGJKZLDIOH-LDIIPZEWSA-N 2 0 339.440 -0.294 20 0 EBADRP CC(C)(C(=O)NC/C=C/C[NH2+][C@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001483043984 1126318484 /nfs/dbraw/zinc/31/84/84/1126318484.db2.gz YSIZOKGTKUCUFS-OOPCZODUSA-N 2 0 336.436 -0.072 20 0 EBADRP CNC(=O)[C@@H](C)[N@H+](C)CCOCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001691606820 1126325646 /nfs/dbraw/zinc/32/56/46/1126325646.db2.gz UFBKJNHJASELNY-KGLIPLIRSA-N 2 0 328.457 -0.521 20 0 EBADRP O=C(NC/C=C/C[NH2+]CCN1C(=O)CCC1=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001483087729 1126330890 /nfs/dbraw/zinc/33/08/90/1126330890.db2.gz MXNNDRXMJPXFPA-KROLTMCQSA-N 2 0 348.447 -0.117 20 0 EBADRP C[C@H](C[NH2+]CCn1cncn1)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001483140016 1126345339 /nfs/dbraw/zinc/34/53/39/1126345339.db2.gz HXZBKQOGNFOFPV-CQSZACIVSA-N 2 0 338.456 -0.269 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)N1CCOCC1 ZINC001483198012 1126352780 /nfs/dbraw/zinc/35/27/80/1126352780.db2.gz UKWGCQYVNUIHKY-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)[C@@H](C)[NH2+]Cc1cnnn1C ZINC001409382704 1126361214 /nfs/dbraw/zinc/36/12/14/1126361214.db2.gz IPESKHMJTLXLSS-CHWSQXEVSA-N 2 0 348.455 -0.130 20 0 EBADRP C[C@H](CNC(=O)CCN1CCOCC1)N(C)CC(=O)NC1CC1 ZINC001409614556 1126384010 /nfs/dbraw/zinc/38/40/10/1126384010.db2.gz AIKVAAVDQJELMZ-CYBMUJFWSA-N 2 0 326.441 -0.576 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCCS(C)(=O)=O)C1CC1 ZINC001483551389 1126433196 /nfs/dbraw/zinc/43/31/96/1126433196.db2.gz ZIMZFZXTVPJTQD-ZIAGYGMSSA-N 2 0 331.482 0.000 20 0 EBADRP C[C@@H]([NH2+]C[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C1CC1)C(N)=O ZINC001483570092 1126435987 /nfs/dbraw/zinc/43/59/87/1126435987.db2.gz GWQDWJVGKCXEGF-TZMCWYRMSA-N 2 0 340.468 -0.297 20 0 EBADRP C[C@@H]([NH2+]C[C@@H](NC(=O)COC1CC[NH+](C)CC1)C1CC1)C(N)=O ZINC001483597042 1126438957 /nfs/dbraw/zinc/43/89/57/1126438957.db2.gz UJUCMRIKSGRTQZ-BXUZGUMPSA-N 2 0 326.441 -0.545 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCNS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001483734806 1126465293 /nfs/dbraw/zinc/46/52/93/1126465293.db2.gz GIFVCYMPLKKOAL-VXGBXAGGSA-N 2 0 332.470 -0.886 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1([NH2+][C@@H]2CCCNC2=O)CC1 ZINC001483791224 1126477468 /nfs/dbraw/zinc/47/74/68/1126477468.db2.gz SJFMFRLCHQPPAR-ZIAGYGMSSA-N 2 0 338.452 -0.528 20 0 EBADRP Cc1nnc(NC(=O)CNC2(CNC(=O)Cn3ccnc3)CC2)s1 ZINC001483797241 1126478677 /nfs/dbraw/zinc/47/86/77/1126478677.db2.gz PGJFLFBXZVNVFX-UHFFFAOYSA-N 2 0 349.420 -0.080 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001483942530 1126491499 /nfs/dbraw/zinc/49/14/99/1126491499.db2.gz JYRLNVGIURKMJW-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)c1ccn(CC[NH+](C)C)n1)C(N)=O ZINC001483930049 1126490357 /nfs/dbraw/zinc/49/03/57/1126490357.db2.gz WOHJSMKCVKYNDV-STQMWFEESA-N 2 0 336.440 -0.487 20 0 EBADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001484228149 1126531417 /nfs/dbraw/zinc/53/14/17/1126531417.db2.gz CKBGABXTWUNMHS-CXAGYDPISA-N 2 0 340.468 -0.322 20 0 EBADRP CNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484233937 1126533740 /nfs/dbraw/zinc/53/37/40/1126533740.db2.gz PKEVMRJTCZZDAT-BLLLJJGKSA-N 2 0 326.441 -0.984 20 0 EBADRP CCOCC[N@@H+]1CC[C@](O)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001484243683 1126539100 /nfs/dbraw/zinc/53/91/00/1126539100.db2.gz ZMPMMEPDMLURDO-KRWDZBQOSA-N 2 0 343.468 -0.313 20 0 EBADRP CCOCC[N@@H+]1CC[C@@](O)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001484243684 1126539189 /nfs/dbraw/zinc/53/91/89/1126539189.db2.gz ZMPMMEPDMLURDO-QGZVFWFLSA-N 2 0 343.468 -0.313 20 0 EBADRP CNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001484235587 1126534932 /nfs/dbraw/zinc/53/49/32/1126534932.db2.gz KVXKDGPZINWWRB-CXAGYDPISA-N 2 0 342.484 -0.348 20 0 EBADRP C[C@@H]([NH2+]CCOCCO)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001484352813 1126564905 /nfs/dbraw/zinc/56/49/05/1126564905.db2.gz MUJQHUMDMFYPFD-CABCVRRESA-N 2 0 325.453 -0.082 20 0 EBADRP C[C@H]([NH2+]CCN1CCNC1=O)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001484356320 1126565030 /nfs/dbraw/zinc/56/50/30/1126565030.db2.gz KRMQAEUOBHKOAU-GJZGRUSLSA-N 2 0 337.468 -0.066 20 0 EBADRP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001484378281 1126566354 /nfs/dbraw/zinc/56/63/54/1126566354.db2.gz WNEJZPGRUSIRBS-WCQYABFASA-N 2 0 339.440 -0.793 20 0 EBADRP CN1CC[C@H]([NH2+]CCN(CCO)C(=O)[C@H]2CCCC[N@@H+]2C)C1=O ZINC001484487866 1126592709 /nfs/dbraw/zinc/59/27/09/1126592709.db2.gz RMXXUIREYVHACT-UONOGXRCSA-N 2 0 326.441 -0.888 20 0 EBADRP CN1CC[C@@H]([NH2+]CCN(CCO)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1=O ZINC001484485441 1126595198 /nfs/dbraw/zinc/59/51/98/1126595198.db2.gz JVWSKTLQPMZHJS-LSDHHAIUSA-N 2 0 340.468 -0.498 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001484496096 1126597386 /nfs/dbraw/zinc/59/73/86/1126597386.db2.gz VTLIHGMJOOOBLT-CABCVRRESA-N 2 0 342.484 -0.204 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N(CCO)CC[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001484499614 1126598549 /nfs/dbraw/zinc/59/85/49/1126598549.db2.gz AZRBRJBYXINOPX-KGLIPLIRSA-N 2 0 336.440 -0.872 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001358627263 1131236899 /nfs/dbraw/zinc/23/68/99/1131236899.db2.gz FMZNKCYSYDZSLF-UONOGXRCSA-N 2 0 326.441 -0.624 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001484681541 1126616449 /nfs/dbraw/zinc/61/64/49/1126616449.db2.gz XBYDDDDFIAUKCI-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC001484676930 1126618463 /nfs/dbraw/zinc/61/84/63/1126618463.db2.gz GOGYCVGUMBSXMM-HUUCEWRRSA-N 2 0 338.452 -0.719 20 0 EBADRP CC1CC[NH+](CC(=O)N2CCO[C@@H](C[NH2+]CC(=O)N(C)C)C2)CC1 ZINC001484694427 1126620429 /nfs/dbraw/zinc/62/04/29/1126620429.db2.gz CCFXQVDRLRJQHU-HNNXBMFYSA-N 2 0 340.468 -0.377 20 0 EBADRP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001484687281 1126621756 /nfs/dbraw/zinc/62/17/56/1126621756.db2.gz IOKGFDSOEYHVRT-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP COc1ccc(C[NH2+]C[C@H]2CN(C(=O)CC[NH+](C)C)CCO2)nn1 ZINC001484688004 1126622086 /nfs/dbraw/zinc/62/20/86/1126622086.db2.gz QZDMSHKKGFZGAV-AWEZNQCLSA-N 2 0 337.424 -0.246 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001484737276 1126629045 /nfs/dbraw/zinc/62/90/45/1126629045.db2.gz ZXYISWLMIRCQKW-RYUDHWBXSA-N 2 0 327.429 -0.556 20 0 EBADRP CC[N@H+](C)CCC(=O)N(C)CCC[NH+](C)[C@H]1CCC(=O)NC1=O ZINC001484764763 1126629494 /nfs/dbraw/zinc/62/94/94/1126629494.db2.gz MZUJIEMUMGFJNE-ZDUSSCGKSA-N 2 0 326.441 -0.086 20 0 EBADRP Cn1cc(CC[NH2+][C@]2(CO)CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC001484835765 1126640531 /nfs/dbraw/zinc/64/05/31/1126640531.db2.gz KVDLKULAABOESN-FUHWJXTLSA-N 2 0 349.479 0.000 20 0 EBADRP Cn1cc(CC[NH2+][C@@]2(CO)CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC001484835776 1126640553 /nfs/dbraw/zinc/64/05/53/1126640553.db2.gz KVDLKULAABOESN-WMZOPIPTSA-N 2 0 349.479 0.000 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@](CO)([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001484852902 1126644490 /nfs/dbraw/zinc/64/44/90/1126644490.db2.gz IHPWLGFRLJHLPS-WMLDXEAASA-N 2 0 338.452 -0.887 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCC[C@](CO)([NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001484857365 1126645509 /nfs/dbraw/zinc/64/55/09/1126645509.db2.gz YINBWZQOQLUQAH-RDJZCZTQSA-N 2 0 340.468 -0.465 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CC1(O)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001484958931 1126659198 /nfs/dbraw/zinc/65/91/98/1126659198.db2.gz AZDYWDLEEBDGQS-ZDUSSCGKSA-N 2 0 340.468 -0.594 20 0 EBADRP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCN1C(=O)CNC1=O ZINC001484989796 1126662052 /nfs/dbraw/zinc/66/20/52/1126662052.db2.gz QCWOVUKYXZWAMI-NWDGAFQWSA-N 2 0 325.413 -0.883 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001485069577 1126670671 /nfs/dbraw/zinc/67/06/71/1126670671.db2.gz QFEWVEPPVCKOJL-QWHCGFSZSA-N 2 0 341.456 -0.295 20 0 EBADRP CC(C)(C(=O)NC1CC(C[NH2+]CC(=O)NC(N)=O)C1)[NH+]1CCCC1 ZINC001485099328 1126673795 /nfs/dbraw/zinc/67/37/95/1126673795.db2.gz QJCXLNKKCWHNFW-UHFFFAOYSA-N 2 0 339.440 -0.460 20 0 EBADRP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001485226709 1126682394 /nfs/dbraw/zinc/68/23/94/1126682394.db2.gz NJJYFLQMXJWHSP-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001485227095 1126682408 /nfs/dbraw/zinc/68/24/08/1126682408.db2.gz UUOUNHINYRUVKE-OLZOCXBDSA-N 2 0 341.456 -0.070 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C1CC1)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001485645410 1126788654 /nfs/dbraw/zinc/78/86/54/1126788654.db2.gz UUVXCQDYSPYUHS-UKRRQHHQSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C1CC1)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001485645412 1126788725 /nfs/dbraw/zinc/78/87/25/1126788725.db2.gz UUVXCQDYSPYUHS-ZFWWWQNUSA-N 2 0 340.468 -0.330 20 0 EBADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1CC(=O)N(C3C[NH2+]C3)C1)C2 ZINC001649052290 1126865769 /nfs/dbraw/zinc/86/57/69/1126865769.db2.gz AOSXKEXNXBPRSS-SECBINFHSA-N 2 0 335.433 -0.693 20 0 EBADRP C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12 ZINC001649078554 1126868724 /nfs/dbraw/zinc/86/87/24/1126868724.db2.gz IWLAVDSULSGZHS-QEHJDLSMSA-N 2 0 329.466 -0.394 20 0 EBADRP CN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)C1(C[NH3+])CCOCC1 ZINC001649111445 1126875596 /nfs/dbraw/zinc/87/55/96/1126875596.db2.gz GWLFVYGKRLROQP-CYBMUJFWSA-N 2 0 326.441 -0.637 20 0 EBADRP C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]CCNS(C)(=O)=O ZINC001485918538 1126915260 /nfs/dbraw/zinc/91/52/60/1126915260.db2.gz GULLQIMAYMOKNW-LBPRGKRZSA-N 2 0 334.486 -0.686 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001485921954 1126916059 /nfs/dbraw/zinc/91/60/59/1126916059.db2.gz FPRPOVZFBMAPQL-NWDGAFQWSA-N 2 0 327.429 -0.780 20 0 EBADRP CC(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001486027068 1126997735 /nfs/dbraw/zinc/99/77/35/1126997735.db2.gz JZPXVNDKZDHLAG-MELADBBJSA-N 2 0 328.457 -0.692 20 0 EBADRP Cn1nnc2cc(C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)ccc21 ZINC001486030179 1127001066 /nfs/dbraw/zinc/00/10/66/1127001066.db2.gz HJRBRGYFFRATKH-ZDUSSCGKSA-N 2 0 334.424 -0.513 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001486093760 1127031141 /nfs/dbraw/zinc/03/11/41/1127031141.db2.gz ZVZZSAFCFNOSKR-NWDGAFQWSA-N 2 0 327.429 -0.508 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001486125805 1127035580 /nfs/dbraw/zinc/03/55/80/1127035580.db2.gz BSJUUDKQROWJAG-QWHCGFSZSA-N 2 0 341.456 -0.247 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(=O)NC(N)=O)C(C)(C)C1 ZINC001486246291 1127066157 /nfs/dbraw/zinc/06/61/57/1127066157.db2.gz IHOYDBRZTMUKQH-LBPRGKRZSA-N 2 0 341.456 -0.260 20 0 EBADRP C[N@H+](CC(=O)N1C[C@H]([NH2+]CC(=O)NC(N)=O)C(C)(C)C1)C1CCC1 ZINC001486235175 1127071498 /nfs/dbraw/zinc/07/14/98/1127071498.db2.gz SUDFBFPVUIJNTB-LBPRGKRZSA-N 2 0 339.440 -0.508 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)C[NH2+]C[C@H]1CCc2ncnn21 ZINC001486316869 1127118636 /nfs/dbraw/zinc/11/86/36/1127118636.db2.gz ADBNHPHZCHPNNG-KGLIPLIRSA-N 2 0 338.456 -0.486 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CC(=O)N(C)C1CC1)C(=O)C[NH+]1CCCC1 ZINC001486317280 1127119501 /nfs/dbraw/zinc/11/95/01/1127119501.db2.gz MRFSQOKMXNLMCT-AWEZNQCLSA-N 2 0 326.441 -0.888 20 0 EBADRP CN(C[C@@H](O)C[N@H+](C)CCc1cnn(C)c1)C(=O)C12CC[NH+](CC1)C2 ZINC001486354813 1127149685 /nfs/dbraw/zinc/14/96/85/1127149685.db2.gz DMAABJIYUZVMKY-INIZCTEOSA-N 2 0 349.479 -0.191 20 0 EBADRP CC[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001486355997 1127149739 /nfs/dbraw/zinc/14/97/39/1127149739.db2.gz LHWIVYSKOQGRFP-QWHCGFSZSA-N 2 0 326.441 -0.903 20 0 EBADRP CN(C[C@@H](O)C[N@H+](C)CCn1cccn1)C(=O)C1CC[NH+](C)CC1 ZINC001486346362 1127158127 /nfs/dbraw/zinc/15/81/27/1127158127.db2.gz DAAVZSJVJAOBHK-INIZCTEOSA-N 2 0 337.468 -0.024 20 0 EBADRP CNC(=O)C[NH2+]C1CC(N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001486479222 1127184440 /nfs/dbraw/zinc/18/44/40/1127184440.db2.gz FJCFTRLVRXZURY-UHFFFAOYSA-N 2 0 326.441 -0.578 20 0 EBADRP CN(CCOCC[NH2+][C@H]1CCNC1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001486498446 1127191641 /nfs/dbraw/zinc/19/16/41/1127191641.db2.gz AQKMGUHSZWXRAB-KGLIPLIRSA-N 2 0 326.441 -0.719 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)CCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001409979755 1127292021 /nfs/dbraw/zinc/29/20/21/1127292021.db2.gz RXKFAUYYZUVMCK-HUUCEWRRSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)N(C)C(=O)COCC[NH+](C)C ZINC001486913317 1127333064 /nfs/dbraw/zinc/33/30/64/1127333064.db2.gz DNVXPFYMCDWSIG-AWEZNQCLSA-N 2 0 342.484 -0.131 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(CCO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001487034189 1127386154 /nfs/dbraw/zinc/38/61/54/1127386154.db2.gz NRIBTWGICHUETH-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@H](O)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001410079303 1127545278 /nfs/dbraw/zinc/54/52/78/1127545278.db2.gz FXQUBJKXRAUBEO-OLZOCXBDSA-N 2 0 328.457 -0.596 20 0 EBADRP C[C@@H]([NH2+]CC(N)=O)[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001410127393 1127591986 /nfs/dbraw/zinc/59/19/86/1127591986.db2.gz COPLUEYQHTUSJE-ZIAGYGMSSA-N 2 0 326.441 -0.447 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001410132460 1127599205 /nfs/dbraw/zinc/59/92/05/1127599205.db2.gz CSTPKXWLIDARBY-AWEZNQCLSA-N 2 0 328.457 -0.737 20 0 EBADRP CCNC(=O)C[NH2+][C@@H](C)[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001410144256 1127607310 /nfs/dbraw/zinc/60/73/10/1127607310.db2.gz BYHQQWBHWWYSOZ-UONOGXRCSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H]([NH2+]CC(=O)N1CCCC1)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001410155493 1127616950 /nfs/dbraw/zinc/61/69/50/1127616950.db2.gz IDSJLMVQBFPHBX-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[C@@H](C(=O)NC[C@H](O)CNC(=O)C1CC[NH+](C)CC1)[NH+](C)C ZINC001410156911 1127618218 /nfs/dbraw/zinc/61/82/18/1127618218.db2.gz XBZUOOVJJZHZSF-KGLIPLIRSA-N 2 0 328.457 -0.738 20 0 EBADRP CC(C)NC(=O)C[NH2+][C@H](C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001410150325 1127628540 /nfs/dbraw/zinc/62/85/40/1127628540.db2.gz FIDBETUQVLFXDQ-KGLIPLIRSA-N 2 0 328.457 -0.332 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001410392149 1127698835 /nfs/dbraw/zinc/69/88/35/1127698835.db2.gz YZHOZUREPHXDDD-YNEHKIRRSA-N 2 0 341.456 -0.391 20 0 EBADRP C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(=O)N1CCOCC1 ZINC001410446849 1127717056 /nfs/dbraw/zinc/71/70/56/1127717056.db2.gz GQYOGOGYCWVQJH-CQSZACIVSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@H](CN(C)C(=O)COC1CC[NH+](C)CC1)[NH2+]Cc1cnnn1C ZINC001410470169 1127724051 /nfs/dbraw/zinc/72/40/51/1127724051.db2.gz FBCXPXPXUQQIAN-CYBMUJFWSA-N 2 0 338.456 -0.138 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001410641366 1127785688 /nfs/dbraw/zinc/78/56/88/1127785688.db2.gz VQBPEMITVVHWGM-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001410641370 1127785914 /nfs/dbraw/zinc/78/59/14/1127785914.db2.gz VQBPEMITVVHWGM-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP O=C(C[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2)NCC1CCC1 ZINC001410758919 1127869977 /nfs/dbraw/zinc/86/99/77/1127869977.db2.gz WSOMAMBBHSKZEE-CQSZACIVSA-N 2 0 338.452 -0.935 20 0 EBADRP NC(=O)C[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C(F)(F)F ZINC001411026975 1127978550 /nfs/dbraw/zinc/97/85/50/1127978550.db2.gz USQQBPDOGQNKOC-QWRGUYRKSA-N 2 0 348.369 -0.206 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC(C)(C)C)CC[N@@H+]1C ZINC001411050541 1127988124 /nfs/dbraw/zinc/98/81/24/1127988124.db2.gz ALXGIDRITZORGA-MGPQQGTHSA-N 2 0 342.484 -0.350 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnnn1C ZINC001411083111 1128008185 /nfs/dbraw/zinc/00/81/85/1128008185.db2.gz ZSNUCKKZEAZTQV-LSDHHAIUSA-N 2 0 338.456 -0.403 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001411098292 1128015364 /nfs/dbraw/zinc/01/53/64/1128015364.db2.gz NXLIHDAIXGUILC-ZIAGYGMSSA-N 2 0 328.457 -0.738 20 0 EBADRP CN(C[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)CC[NH+]1CCCCC1 ZINC001411122205 1128023626 /nfs/dbraw/zinc/02/36/26/1128023626.db2.gz GVQCYLBEURKTPB-LSDHHAIUSA-N 2 0 340.468 -0.498 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CC(=O)Nc1ccon1)C(=O)C[NH+]1CCCC1 ZINC001411132255 1128028145 /nfs/dbraw/zinc/02/81/45/1128028145.db2.gz YGTRSRZBFUPHFX-LBPRGKRZSA-N 2 0 339.396 -0.882 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001411131024 1128029835 /nfs/dbraw/zinc/02/98/35/1128029835.db2.gz RQQCUJKQIGIIGH-AWEZNQCLSA-N 2 0 328.457 -0.737 20 0 EBADRP COc1ccc(C[NH2+]C[C@@H](O)CN(C)C(=O)C23CC[NH+](CC2)C3)nn1 ZINC001411147654 1128040643 /nfs/dbraw/zinc/04/06/43/1128040643.db2.gz PJOWCDXFVMPFMS-CQSZACIVSA-N 2 0 349.435 -0.510 20 0 EBADRP CN(C[C@H](O)C[N@H+](C)[C@H]1CCN(C)C1=O)C(=O)C[NH+](C)C1CCC1 ZINC001411167600 1128064924 /nfs/dbraw/zinc/06/49/24/1128064924.db2.gz JKIMKQPKWSBRTF-CABCVRRESA-N 2 0 340.468 -0.548 20 0 EBADRP CN(C[C@@H](O)C[N@H+](C)[C@H]1CCN(C)C1=O)C(=O)C[NH+](C)C1CCC1 ZINC001411167609 1128065188 /nfs/dbraw/zinc/06/51/88/1128065188.db2.gz JKIMKQPKWSBRTF-GJZGRUSLSA-N 2 0 340.468 -0.548 20 0 EBADRP COC[C@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001411189127 1128087338 /nfs/dbraw/zinc/08/73/38/1128087338.db2.gz IOBSAGFDKUIQAD-HUUCEWRRSA-N 2 0 331.457 -0.913 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001411237629 1128101602 /nfs/dbraw/zinc/10/16/02/1128101602.db2.gz PEGVBORKAGMFTE-BPCQOVAHSA-N 2 0 339.440 -0.495 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001411245152 1128103410 /nfs/dbraw/zinc/10/34/10/1128103410.db2.gz JDYNJNPULBDMMD-UHFFFAOYSA-N 2 0 339.440 -0.637 20 0 EBADRP C[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@]3(C)C2)CC1 ZINC001091975026 1128174509 /nfs/dbraw/zinc/17/45/09/1128174509.db2.gz CGZNODWSPGACMA-VKJFTORMSA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@@H]1C[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133215 1128295960 /nfs/dbraw/zinc/29/59/60/1128295960.db2.gz WHNOWZHZUJYVJZ-CHWSQXEVSA-N 2 0 348.451 -0.612 20 0 EBADRP CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)nn1 ZINC001093328608 1128320973 /nfs/dbraw/zinc/32/09/73/1128320973.db2.gz WEXFYBVTWTVSSB-YAJUMTOWSA-N 2 0 346.435 -0.366 20 0 EBADRP CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)nn1 ZINC001093322041 1128329055 /nfs/dbraw/zinc/32/90/55/1128329055.db2.gz HJILSNKPBMZQRK-UKRRQHHQSA-N 2 0 334.424 -0.366 20 0 EBADRP CC[C@H](C(=O)N1CCOC2(CCC([NH2+]CC(N)=O)CC2)C1)[NH+](C)C ZINC001093400075 1128341094 /nfs/dbraw/zinc/34/10/94/1128341094.db2.gz DRQFTLKKODMBEH-XOYHFGRZSA-N 2 0 340.468 -0.058 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CC(=O)NC(N)=O ZINC001176753276 1128349712 /nfs/dbraw/zinc/34/97/12/1128349712.db2.gz DXBMVPXPFUJYLX-GFCCVEGCSA-N 2 0 329.445 -0.214 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)C[NH+]1CCCC1 ZINC001488017763 1128514427 /nfs/dbraw/zinc/51/44/27/1128514427.db2.gz WCQPCOBEARRTCL-HUUCEWRRSA-N 2 0 340.468 -0.450 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001488403238 1128741412 /nfs/dbraw/zinc/74/14/12/1128741412.db2.gz QTBSRDVOIWCSNH-HUUCEWRRSA-N 2 0 342.484 -0.254 20 0 EBADRP CN(C[C@@H]1CC[N@@H+]1CCCN1C(=O)CNC1=O)C(=O)CC[NH+](C)C ZINC001488653435 1128813047 /nfs/dbraw/zinc/81/30/47/1128813047.db2.gz IZKJABQMCCYHSE-ZDUSSCGKSA-N 2 0 339.440 -0.587 20 0 EBADRP CNC(=O)[C@H](C)[N@H+](C)CCOCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001489218836 1128934674 /nfs/dbraw/zinc/93/46/74/1128934674.db2.gz NDULQAXYFHYZJH-AWEZNQCLSA-N 2 0 340.468 -0.377 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@H]1O ZINC001489399080 1128971033 /nfs/dbraw/zinc/97/10/33/1128971033.db2.gz KXFWGQLCTYYWDR-ZIAGYGMSSA-N 2 0 328.457 -0.644 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001490206818 1129126360 /nfs/dbraw/zinc/12/63/60/1129126360.db2.gz ZQCGUJBLBGSLBF-GFCCVEGCSA-N 2 0 341.456 -0.247 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001490183419 1129138125 /nfs/dbraw/zinc/13/81/25/1129138125.db2.gz NWCMWJMWTMYLHH-GJZGRUSLSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001413999174 1131260305 /nfs/dbraw/zinc/26/03/05/1131260305.db2.gz HZKTUNKAYMVBNY-CYBMUJFWSA-N 2 0 331.482 -0.189 20 0 EBADRP C[C@@H](O)C[NH+]1CCN(CCCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001490470412 1129183422 /nfs/dbraw/zinc/18/34/22/1129183422.db2.gz ULDHJIRPJXNDEJ-OAHLLOKOSA-N 2 0 326.485 -0.025 20 0 EBADRP C[C@@H](F)CC[NH+]1CCN(CCNC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001490486759 1129190031 /nfs/dbraw/zinc/19/00/31/1129190031.db2.gz KMZSBECAQWXONB-HUUCEWRRSA-N 2 0 330.448 -0.201 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCN1CC[NH+](C[C@H](C)O)CC1 ZINC001490515204 1129218376 /nfs/dbraw/zinc/21/83/76/1129218376.db2.gz NSVQAXUGWUBVQO-CVEARBPZSA-N 2 0 342.484 -0.931 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1CC1 ZINC001490742823 1129251752 /nfs/dbraw/zinc/25/17/52/1129251752.db2.gz UZTVMBDVGNOFRX-CMPLNLGQSA-N 2 0 327.429 -0.606 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)NC(=O)[C@H]1CN(C)CCO1 ZINC001412639864 1129582949 /nfs/dbraw/zinc/58/29/49/1129582949.db2.gz QKNRMWXXCVPIJM-ZIAGYGMSSA-N 2 0 328.457 -0.378 20 0 EBADRP C[N@H+](CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCC[NH+]1C)C1CCC1 ZINC001412811792 1129668358 /nfs/dbraw/zinc/66/83/58/1129668358.db2.gz XTLJIMIYBXGXHM-OCCSQVGLSA-N 2 0 326.441 -0.842 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001480550469 1131389408 /nfs/dbraw/zinc/38/94/08/1131389408.db2.gz ZHYJAKXHPTYHTC-QWHCGFSZSA-N 2 0 341.456 -0.201 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001412859350 1129738448 /nfs/dbraw/zinc/73/84/48/1129738448.db2.gz KLMRJLDAVQMWSN-GJZGRUSLSA-N 2 0 340.468 -0.450 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@H](CO)NC(=O)CCC[NH+](C)C)CC[N@@H+]1C ZINC001412863955 1129740472 /nfs/dbraw/zinc/74/04/72/1129740472.db2.gz HEVXZESATWSBNU-MGPQQGTHSA-N 2 0 328.457 -0.738 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)NC(=O)CC[NH+](C)C)CC[N@@H+]1C ZINC001412867397 1129748245 /nfs/dbraw/zinc/74/82/45/1129748245.db2.gz MRRZGJCHTNQEKF-MELADBBJSA-N 2 0 328.457 -0.738 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N[C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001412974360 1129829282 /nfs/dbraw/zinc/82/92/82/1129829282.db2.gz SGQPDYIJFNSHPW-GFCCVEGCSA-N 2 0 337.424 -0.694 20 0 EBADRP CN(C[C@@H](O)CNC(=O)CC[NH+](C)C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001413284546 1129989381 /nfs/dbraw/zinc/98/93/81/1129989381.db2.gz DEXPNKGEJNCHGP-AWEZNQCLSA-N 2 0 342.484 -0.252 20 0 EBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)CC1=O ZINC001413485391 1130104676 /nfs/dbraw/zinc/10/46/76/1130104676.db2.gz GQJKEFSTDYVALS-SOUVJXGZSA-N 2 0 338.452 -0.936 20 0 EBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC001413729826 1130245470 /nfs/dbraw/zinc/24/54/70/1130245470.db2.gz UVSNWIXXKSDOOV-HOTGVXAUSA-N 2 0 341.500 -0.232 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001490928303 1130266770 /nfs/dbraw/zinc/26/67/70/1130266770.db2.gz LOXYVOIHNURYSL-YVECIDJPSA-N 2 0 339.440 -0.591 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001490935416 1130268160 /nfs/dbraw/zinc/26/81/60/1130268160.db2.gz VQZDWQLNSDUHLN-MRVWCRGKSA-N 2 0 336.440 -0.570 20 0 EBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001490940203 1130269534 /nfs/dbraw/zinc/26/95/34/1130269534.db2.gz FFZGRFSZKUINEI-AVGNSLFASA-N 2 0 326.441 -0.532 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001490934932 1130270719 /nfs/dbraw/zinc/27/07/19/1130270719.db2.gz RGDXBIIPLVOLJF-JOCQHMNTSA-N 2 0 339.440 -0.589 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CC(=O)NC(N)=O)CC[C@@H]21 ZINC001490984912 1130280413 /nfs/dbraw/zinc/28/04/13/1130280413.db2.gz VEGSPENBZYGUEH-STQMWFEESA-N 2 0 339.440 -0.554 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001491141872 1130340974 /nfs/dbraw/zinc/34/09/74/1130340974.db2.gz KXKUSFWWHDWKDG-CABCVRRESA-N 2 0 337.468 -0.066 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001491185021 1130352361 /nfs/dbraw/zinc/35/23/61/1130352361.db2.gz OMXPKRHFKSKGPB-CYBMUJFWSA-N 2 0 339.440 -0.634 20 0 EBADRP CC[C@@H](C(=O)NC[C@@H]1CCCCN1CCNS(C)(=O)=O)[NH+](C)C ZINC001491221132 1130364064 /nfs/dbraw/zinc/36/40/64/1130364064.db2.gz KJJJIIMYTRLODF-KBPBESRZSA-N 2 0 348.513 -0.154 20 0 EBADRP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCN1CCNC1=O ZINC001491495151 1130469647 /nfs/dbraw/zinc/46/96/47/1130469647.db2.gz KVFVZJYGNRLPOH-AWEZNQCLSA-N 2 0 337.468 -0.018 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001491493919 1130469745 /nfs/dbraw/zinc/46/97/45/1130469745.db2.gz AWMSZOVCZBFPEN-QWHCGFSZSA-N 2 0 328.457 -0.426 20 0 EBADRP CC[C@@H](C(=O)N(C)CCC[N@H+](C)[C@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001280857161 1130526567 /nfs/dbraw/zinc/52/65/67/1130526567.db2.gz QGOBAYBNSQRVDL-STQMWFEESA-N 2 0 326.441 -0.088 20 0 EBADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001491567166 1130553005 /nfs/dbraw/zinc/55/30/05/1130553005.db2.gz DEKMBBHVWFEULU-NSHDSACASA-N 2 0 339.440 -0.589 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](CC[NH2+]CC(N)=O)C1 ZINC001280295986 1130558130 /nfs/dbraw/zinc/55/81/30/1130558130.db2.gz LNZPJXFECFYDGK-ZIAGYGMSSA-N 2 0 326.441 -0.732 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[N@H+](C)CC(=O)NC(N)=O ZINC001479815490 1130738411 /nfs/dbraw/zinc/73/84/11/1130738411.db2.gz IPNHXNZEZLLEFN-VXGBXAGGSA-N 2 0 327.429 -0.508 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH+](C)CC(=O)NC(N)=O ZINC001479815489 1130738439 /nfs/dbraw/zinc/73/84/39/1130738439.db2.gz IPNHXNZEZLLEFN-TXEJJXNPSA-N 2 0 327.429 -0.508 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2CNC(=O)C2)C[C@H]1C[NH+](C)C ZINC001413863041 1130826993 /nfs/dbraw/zinc/82/69/93/1130826993.db2.gz YJECSFQEZYWNQT-MGPQQGTHSA-N 2 0 325.457 -0.497 20 0 EBADRP CC[NH+]1CCN(CCCNC(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001357928668 1131148092 /nfs/dbraw/zinc/14/80/92/1131148092.db2.gz CAERICKNGQGZJQ-UHFFFAOYSA-N 2 0 326.485 -0.166 20 0 EBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cn([C@@H]4CC[C@H]4O)nn3)C2)CC1 ZINC001361819052 1131461193 /nfs/dbraw/zinc/46/11/93/1131461193.db2.gz IPNPCVVWODCNOX-DAXOMENPSA-N 2 0 348.451 -0.128 20 0 EBADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001362364272 1131569059 /nfs/dbraw/zinc/56/90/59/1131569059.db2.gz BWNPRSQIBQJTLX-BZUAXINKSA-N 2 0 326.485 -0.026 20 0 EBADRP CC(=O)NCC(=O)NCC(=O)Nc1cc(N2CCN(C)CC2)cc[nH+]1 ZINC001363220657 1131836958 /nfs/dbraw/zinc/83/69/58/1131836958.db2.gz XOKJENHXPUVHCV-UHFFFAOYSA-N 2 0 348.407 -0.976 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCc3nnnn3CC2)C[C@H]1C[NH+](C)C ZINC001363240671 1131845319 /nfs/dbraw/zinc/84/53/19/1131845319.db2.gz VAZBSGIWEICVGB-RRFJBIMHSA-N 2 0 349.483 -0.177 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCc3nnnn3CC2)C[C@H]1C[NH+](C)C ZINC001363240667 1131845758 /nfs/dbraw/zinc/84/57/58/1131845758.db2.gz VAZBSGIWEICVGB-RBSFLKMASA-N 2 0 349.483 -0.177 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cn(CC(N)=O)nn1 ZINC001364673619 1132389651 /nfs/dbraw/zinc/38/96/51/1132389651.db2.gz TXCYZJIYORNODD-OAHLLOKOSA-N 2 0 337.472 -0.389 20 0 EBADRP CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1)C(N)=O ZINC001365847488 1132831164 /nfs/dbraw/zinc/83/11/64/1132831164.db2.gz HZFJCHLHVWBPKJ-TUVASFSCSA-N 2 0 340.468 -0.297 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001365850546 1132832744 /nfs/dbraw/zinc/83/27/44/1132832744.db2.gz YBYRERJUINTAKY-OBJOEFQTSA-N 2 0 341.456 -0.487 20 0 EBADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+][C@H](CC)C(N)=O ZINC001365859804 1132838027 /nfs/dbraw/zinc/83/80/27/1132838027.db2.gz IMUZZTGJYADKEL-RBSFLKMASA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@@H](O)C[NH+]1CCN(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001365966052 1132929071 /nfs/dbraw/zinc/92/90/71/1132929071.db2.gz MAZBPTNYEXTYDX-MRXNPFEDSA-N 2 0 326.485 -0.023 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C2)CCO1 ZINC001366097839 1133003359 /nfs/dbraw/zinc/00/33/59/1133003359.db2.gz JVCKHPZXMZHJOX-KGLIPLIRSA-N 2 0 326.441 -0.624 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001366105167 1133008309 /nfs/dbraw/zinc/00/83/09/1133008309.db2.gz ROSOCRZWVYKZTR-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001366109924 1133010664 /nfs/dbraw/zinc/01/06/64/1133010664.db2.gz BSKCZNMSSBBNHF-GMTAPVOTSA-N 2 0 331.392 -0.902 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001366112151 1133010997 /nfs/dbraw/zinc/01/09/97/1133010997.db2.gz KDTAZROZDXASEK-DDHJBXDOSA-N 2 0 345.419 -0.514 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001366114989 1133013067 /nfs/dbraw/zinc/01/30/67/1133013067.db2.gz QEEJPPSUPZJTBW-HAQNSBGRSA-N 2 0 339.440 -0.447 20 0 EBADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1)C(N)=O ZINC001366118164 1133014075 /nfs/dbraw/zinc/01/40/75/1133014075.db2.gz NMOXKLRCGCNHGT-MGPQQGTHSA-N 2 0 340.468 -0.155 20 0 EBADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1)[NH+](C)C ZINC001366120107 1133015874 /nfs/dbraw/zinc/01/58/74/1133015874.db2.gz VAFLOABPFPWWHM-KBUPBQIOSA-N 2 0 340.468 -0.189 20 0 EBADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1)[NH+](C)C ZINC001366124723 1133017164 /nfs/dbraw/zinc/01/71/64/1133017164.db2.gz MOSPHQQPCAVIKQ-KKOKHZNYSA-N 2 0 327.429 -0.593 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)Nc2nncs2)C1 ZINC001366127663 1133018679 /nfs/dbraw/zinc/01/86/79/1133018679.db2.gz QRRFZRWELXECCP-GMTAPVOTSA-N 2 0 338.437 -0.192 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001366132102 1133020336 /nfs/dbraw/zinc/02/03/36/1133020336.db2.gz XFBNPXZPPIQIMB-HAQNSBGRSA-N 2 0 325.413 -0.835 20 0 EBADRP CS(=O)(=O)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001366145541 1133026003 /nfs/dbraw/zinc/02/60/03/1133026003.db2.gz IAAHZALZTRBNJU-HZSPNIEDSA-N 2 0 329.466 -0.390 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001366210282 1133057655 /nfs/dbraw/zinc/05/76/55/1133057655.db2.gz BVROLIWGZYCPGZ-FRRDWIJNSA-N 2 0 339.440 -0.508 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CCCC[C@H]2C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001366215497 1133060046 /nfs/dbraw/zinc/06/00/46/1133060046.db2.gz GOKTVNBNRWPNLT-LBPRGKRZSA-N 2 0 339.440 -0.506 20 0 EBADRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001366287328 1133084503 /nfs/dbraw/zinc/08/45/03/1133084503.db2.gz NUJFUOYWCJEBAM-KBPBESRZSA-N 2 0 340.468 -0.140 20 0 EBADRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001366289614 1133086360 /nfs/dbraw/zinc/08/63/60/1133086360.db2.gz SLSJALXIWKLBJO-ZIAGYGMSSA-N 2 0 340.468 -0.188 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001366329381 1133100292 /nfs/dbraw/zinc/10/02/92/1133100292.db2.gz VRVYCBQKPVCLQD-NSHDSACASA-N 2 0 327.429 -0.732 20 0 EBADRP C[C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CC(=O)NC(N)=O ZINC001366336605 1133103388 /nfs/dbraw/zinc/10/33/88/1133103388.db2.gz OHZVQJHNJCAYJG-ZUZCIYMTSA-N 2 0 345.419 -0.512 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)Nc2cnccn2)C1 ZINC001366377077 1133118220 /nfs/dbraw/zinc/11/82/20/1133118220.db2.gz IJJHIPRLRICWGX-QWHCGFSZSA-N 2 0 332.408 -0.300 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)Nc3nncs3)C2)C1 ZINC001366395387 1133128155 /nfs/dbraw/zinc/12/81/55/1133128155.db2.gz ZIDPFMWVONMBNQ-QWRGUYRKSA-N 2 0 338.437 -0.381 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001366394816 1133128582 /nfs/dbraw/zinc/12/85/82/1133128582.db2.gz XZFZCZILYQHEFV-ZFWWWQNUSA-N 2 0 338.452 -0.576 20 0 EBADRP CCN1CCO[C@@H](C(=O)N2CC[C@H](C[NH2+]CC(=O)N3CCC3)C2)C1 ZINC001366404377 1133132228 /nfs/dbraw/zinc/13/22/28/1133132228.db2.gz BIHMOLIDWGVDAB-HUUCEWRRSA-N 2 0 338.452 -0.623 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001366460922 1133149952 /nfs/dbraw/zinc/14/99/52/1133149952.db2.gz DTNKPGOESSPKKH-IJLUTSLNSA-N 2 0 327.429 -0.733 20 0 EBADRP C[C@H](CCNC(=O)C(C)(C)C[NH+]1CCOCC1)[NH2+]CC(=O)N(C)C ZINC001366480063 1133155693 /nfs/dbraw/zinc/15/56/93/1133155693.db2.gz SYOUGELRUKYSMK-CQSZACIVSA-N 2 0 342.484 -0.083 20 0 EBADRP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC1CCOCC1 ZINC001366510707 1133161874 /nfs/dbraw/zinc/16/18/74/1133161874.db2.gz QBFZAKMEQAKNQQ-ZIAGYGMSSA-N 2 0 340.468 -0.282 20 0 EBADRP CN(CCNC(=O)[C@@H]1CCCC[N@@H+]1C)CC(=O)NC[C@H]1CCCO1 ZINC001366541664 1133176977 /nfs/dbraw/zinc/17/69/77/1133176977.db2.gz WRHFFPATOTXBQR-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001366702041 1133261907 /nfs/dbraw/zinc/26/19/07/1133261907.db2.gz ZKSUBLQDJUHFJY-ZDUSSCGKSA-N 2 0 326.441 -0.732 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@H]2CC[N@H+](CCNS(C)(=O)=O)C2)CCC1 ZINC001366702734 1133263160 /nfs/dbraw/zinc/26/31/60/1133263160.db2.gz OAGSRVZQUUHMMZ-CYBMUJFWSA-N 2 0 346.497 -0.542 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001366703434 1133263558 /nfs/dbraw/zinc/26/35/58/1133263558.db2.gz RGSJTGNFNYCSNP-VXGBXAGGSA-N 2 0 325.413 -0.896 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001366895402 1133348967 /nfs/dbraw/zinc/34/89/67/1133348967.db2.gz ZWBIYDGAKVEIKP-ARFHVFGLSA-N 2 0 343.468 -0.457 20 0 EBADRP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)NC(=O)NC ZINC001367096210 1133473573 /nfs/dbraw/zinc/47/35/73/1133473573.db2.gz ALXOEEAJUXWMMT-NWDGAFQWSA-N 2 0 327.429 -0.589 20 0 EBADRP C[C@](C[NH2+]CC(=O)NC(N)=O)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001367234948 1133511121 /nfs/dbraw/zinc/51/11/21/1133511121.db2.gz OXSRZZVCHKCSJA-OAHLLOKOSA-N 2 0 325.413 -0.848 20 0 EBADRP CNC(=O)C[NH2+]C1(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CCCC1 ZINC001367326955 1133551511 /nfs/dbraw/zinc/55/15/11/1133551511.db2.gz IVZDAPBUAAJAKL-AWEZNQCLSA-N 2 0 340.468 -0.281 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001367390506 1133574258 /nfs/dbraw/zinc/57/42/58/1133574258.db2.gz ZCRNIJCOONXNMS-CHWSQXEVSA-N 2 0 341.456 -0.118 20 0 EBADRP CC(C)[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC(N)=O ZINC001367467790 1133595516 /nfs/dbraw/zinc/59/55/16/1133595516.db2.gz DIEQEIDNADIVNR-STQMWFEESA-N 2 0 341.456 -0.214 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC001367562547 1133631852 /nfs/dbraw/zinc/63/18/52/1133631852.db2.gz NKMQZOAJZSXJIW-STQMWFEESA-N 2 0 341.456 -0.343 20 0 EBADRP CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001367609361 1133689179 /nfs/dbraw/zinc/68/91/79/1133689179.db2.gz QOOUVSJUWPEERO-KGLIPLIRSA-N 2 0 338.452 -0.698 20 0 EBADRP CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001367609354 1133689197 /nfs/dbraw/zinc/68/91/97/1133689197.db2.gz QOOUVSJUWPEERO-KBPBESRZSA-N 2 0 338.452 -0.698 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C ZINC001367626544 1133714189 /nfs/dbraw/zinc/71/41/89/1133714189.db2.gz GMHMNNUPTAGMKU-UONOGXRCSA-N 2 0 342.484 -0.158 20 0 EBADRP C[C@H](C[NH2+]C[C@@H]1CCCS(=O)(=O)C1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001367689522 1133747948 /nfs/dbraw/zinc/74/79/48/1133747948.db2.gz NXYBFKYAOZDODV-HZSPNIEDSA-N 2 0 331.482 0.000 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC[C@H]1CCCO1)NC(=O)C1CC[NH+](C)CC1 ZINC001367694706 1133749598 /nfs/dbraw/zinc/74/95/98/1133749598.db2.gz CMFRHQOGRHADLD-UKRRQHHQSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)Nc1cnccn1)NC(=O)C[N@H+](C)C1CCC1 ZINC001367739744 1133767085 /nfs/dbraw/zinc/76/70/85/1133767085.db2.gz KXLLISFZXPRJFA-LBPRGKRZSA-N 2 0 334.424 -0.006 20 0 EBADRP CC[N@H+](C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O)c1ccccc1 ZINC001367769236 1133777709 /nfs/dbraw/zinc/77/77/09/1133777709.db2.gz UWBJHPBSWYJKRM-SWLSCSKDSA-N 2 0 349.435 -0.031 20 0 EBADRP C[C@H]([NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1)C(=O)NC(N)=O ZINC001367906039 1133834171 /nfs/dbraw/zinc/83/41/71/1133834171.db2.gz ABOOLWUWXFQRMH-GWCFXTLKSA-N 2 0 339.440 -0.604 20 0 EBADRP CC[C@@H](C(=O)NCC1([NH2+]C[C@H]2CCS(=O)(=O)C2)CC1)[NH+](C)C ZINC001368018937 1133899786 /nfs/dbraw/zinc/89/97/86/1133899786.db2.gz KJDOCWKIVGZKKI-OLZOCXBDSA-N 2 0 331.482 0.000 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001368021736 1133900124 /nfs/dbraw/zinc/90/01/24/1133900124.db2.gz XWKNDBDACBUCMP-VXGBXAGGSA-N 2 0 339.440 -0.589 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001368021735 1133900437 /nfs/dbraw/zinc/90/04/37/1133900437.db2.gz XWKNDBDACBUCMP-RYUDHWBXSA-N 2 0 339.440 -0.589 20 0 EBADRP C[C@H]([NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CCCC1)C(=O)NC(N)=O ZINC001368141727 1133955463 /nfs/dbraw/zinc/95/54/63/1133955463.db2.gz YQYOEZHWEUDNDM-AAEUAGOBSA-N 2 0 341.456 -0.214 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC001368162958 1133972759 /nfs/dbraw/zinc/97/27/59/1133972759.db2.gz POADKEKIRBRNRY-YOEHRIQHSA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@@H]([NH2+]C[C@@]1(C)CCN(C(=O)COC2CC[NH+](C)CC2)C1)C(N)=O ZINC001368190984 1133986087 /nfs/dbraw/zinc/98/60/87/1133986087.db2.gz ITQKADCPNYSYOU-CXAGYDPISA-N 2 0 340.468 -0.201 20 0 EBADRP Cn1cc(C[N@@H+]2CC[C@](O)(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001368246939 1134020060 /nfs/dbraw/zinc/02/00/60/1134020060.db2.gz OPTNEVVQSTTZBA-AEFFLSMTSA-N 2 0 347.463 -0.185 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@H+](CCn3cncn3)C2)CC1 ZINC001368254053 1134036451 /nfs/dbraw/zinc/03/64/51/1134036451.db2.gz AIGACPUFURPRTJ-INIZCTEOSA-N 2 0 336.440 -0.827 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC(=O)NC(N)=O)C1 ZINC001368351774 1134159539 /nfs/dbraw/zinc/15/95/39/1134159539.db2.gz ZZVAKOSLZLRYFR-OLZOCXBDSA-N 2 0 341.456 -0.260 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC(=O)NC(N)=O)C1 ZINC001368351779 1134159614 /nfs/dbraw/zinc/15/96/14/1134159614.db2.gz ZZVAKOSLZLRYFR-QWHCGFSZSA-N 2 0 341.456 -0.260 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NCC4CC4)C[C@@H]3C2)C1 ZINC001368359442 1134164396 /nfs/dbraw/zinc/16/43/96/1134164396.db2.gz RQBIKROIZLQUEM-OAGGEKHMSA-N 2 0 334.464 -0.146 20 0 EBADRP CNC(=O)C[NH2+]C1CCN(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001368368728 1134172368 /nfs/dbraw/zinc/17/23/68/1134172368.db2.gz OBLRKCSNSKJABL-UHFFFAOYSA-N 2 0 339.484 -0.613 20 0 EBADRP Cn1cc(CC[N@@H+]2CCC[C@](CO)(NC(=O)[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001368392464 1134194606 /nfs/dbraw/zinc/19/46/06/1134194606.db2.gz QHJCYUNXCREZDZ-WMZOPIPTSA-N 2 0 349.479 -0.143 20 0 EBADRP C[N@H+](CC(=O)N(CCO)CC[NH2+][C@H]1CCNC1=O)CC(C)(C)C ZINC001368399692 1134205221 /nfs/dbraw/zinc/20/52/21/1134205221.db2.gz TWAOOCBSXXWXJW-ZDUSSCGKSA-N 2 0 328.457 -0.737 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCO[C@@H](C[NH2+]CC(=O)NC)C2)C1 ZINC001368502758 1134255918 /nfs/dbraw/zinc/25/59/18/1134255918.db2.gz DZGCNGWUVGDXGW-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001368506866 1134259459 /nfs/dbraw/zinc/25/94/59/1134259459.db2.gz QKCGFVGVLCXATJ-UTUOFQBUSA-N 2 0 327.429 -0.604 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCO[C@@H](C[NH2+][C@H](C)C(=O)NC)C1 ZINC001368515848 1134267674 /nfs/dbraw/zinc/26/76/74/1134267674.db2.gz WAOGTNUFINOEGL-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)CC1)[NH+](C)C ZINC001368517348 1134269145 /nfs/dbraw/zinc/26/91/45/1134269145.db2.gz UBCISIGOPSGHFZ-NEPJUHHUSA-N 2 0 327.429 -0.508 20 0 EBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1)C(N)=O ZINC001368523343 1134274078 /nfs/dbraw/zinc/27/40/78/1134274078.db2.gz XQBFBCCPBRCDOJ-HUUCEWRRSA-N 2 0 340.468 -0.057 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCO1 ZINC001368525000 1134275694 /nfs/dbraw/zinc/27/56/94/1134275694.db2.gz YQSVXJFYGQHWSX-ZBFHGGJFSA-N 2 0 342.484 -0.132 20 0 EBADRP CCNC(=O)NC(=O)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001368531200 1134277941 /nfs/dbraw/zinc/27/79/41/1134277941.db2.gz WRICJRMGFXFONM-ZDUSSCGKSA-N 2 0 341.456 -0.293 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001368538571 1134282409 /nfs/dbraw/zinc/28/24/09/1134282409.db2.gz ZTJUQWGYPWTEDI-UTUOFQBUSA-N 2 0 327.429 -0.606 20 0 EBADRP CNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001368611900 1134323378 /nfs/dbraw/zinc/32/33/78/1134323378.db2.gz HHGVOKQSINIBEP-PBHICJAKSA-N 2 0 340.468 -0.450 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@](CO)([NH2+]CC(=O)NC)C1 ZINC001368623516 1134335218 /nfs/dbraw/zinc/33/52/18/1134335218.db2.gz BSEGWVWXUKDBAH-RHSMWYFYSA-N 2 0 340.468 -0.450 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CC(N)=O)CCOCC1 ZINC001368625662 1134336838 /nfs/dbraw/zinc/33/68/38/1134336838.db2.gz CKCIVGHKKFZSEF-ZDUSSCGKSA-N 2 0 326.441 -0.401 20 0 EBADRP CN1CC[C@H]([NH2+]CC2(NC(=O)[C@@H]3CCC[N@@H+]3C)CCOCC2)C1=O ZINC001368625866 1134337308 /nfs/dbraw/zinc/33/73/08/1134337308.db2.gz HKUOYELKEVRAGR-KBPBESRZSA-N 2 0 338.452 -0.434 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@](CO)([NH2+]CCn3cccn3)C2)C1 ZINC001368632973 1134345752 /nfs/dbraw/zinc/34/57/52/1134345752.db2.gz WRWKNKNSHHWXMF-NVXWUHKLSA-N 2 0 335.452 -0.222 20 0 EBADRP Cn1nccc1C[NH2+][C@@]1(CO)CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001368633404 1134346257 /nfs/dbraw/zinc/34/62/57/1134346257.db2.gz SBTSXUCYDMBQBG-SFHVURJKSA-N 2 0 347.463 -0.041 20 0 EBADRP COC[C@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001368635788 1134347550 /nfs/dbraw/zinc/34/75/50/1134347550.db2.gz XBIUQDWLEFRQSO-PBHICJAKSA-N 2 0 341.452 -0.967 20 0 EBADRP COC[C@@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001368635798 1134347868 /nfs/dbraw/zinc/34/78/68/1134347868.db2.gz XBIUQDWLEFRQSO-YOEHRIQHSA-N 2 0 341.452 -0.967 20 0 EBADRP CCC[N@H+](C)CC(=O)NC1(C[NH2+]Cc2cn(C)nn2)CCOCC1 ZINC001368637992 1134349052 /nfs/dbraw/zinc/34/90/52/1134349052.db2.gz QYGICKNDKJLSTI-UHFFFAOYSA-N 2 0 338.456 -0.088 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001368653593 1134357102 /nfs/dbraw/zinc/35/71/02/1134357102.db2.gz FGOLAUFRSCDDBB-OLZOCXBDSA-N 2 0 341.456 -0.391 20 0 EBADRP CNC(=O)C[NH2+][C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001368656625 1134359368 /nfs/dbraw/zinc/35/93/68/1134359368.db2.gz DWQSHCBBFOWBIY-OCCSQVGLSA-N 2 0 336.440 -0.759 20 0 EBADRP CNC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001368685714 1134385508 /nfs/dbraw/zinc/38/55/08/1134385508.db2.gz JLOARDJUVZOGIR-AWEZNQCLSA-N 2 0 340.468 -0.452 20 0 EBADRP COC[C@H](O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001368693122 1134394223 /nfs/dbraw/zinc/39/42/23/1134394223.db2.gz NLVGAQFYEGQMLO-CABCVRRESA-N 2 0 343.468 -0.579 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001368742252 1134415575 /nfs/dbraw/zinc/41/55/75/1134415575.db2.gz LFZCSEIPIQJOOR-NWDGAFQWSA-N 2 0 327.429 -0.732 20 0 EBADRP CC[C@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)CC[NH+](C)C)CCO2 ZINC001368757144 1134420327 /nfs/dbraw/zinc/42/03/27/1134420327.db2.gz ZICOTKAWWRLKJV-CQSZACIVSA-N 2 0 340.468 -0.105 20 0 EBADRP C[NH+]1CCC(C(=O)NC2CC(C[NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001368822270 1134456107 /nfs/dbraw/zinc/45/61/07/1134456107.db2.gz NBOIVYPFUBOXFI-UHFFFAOYSA-N 2 0 325.413 -0.993 20 0 EBADRP C[C@@H]([NH2+]CC1CC(NC(=O)CCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001368824730 1134456854 /nfs/dbraw/zinc/45/68/54/1134456854.db2.gz ZSZRGJMMFCVPBQ-VOMCLLRMSA-N 2 0 327.429 -0.604 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001368840006 1134461977 /nfs/dbraw/zinc/46/19/77/1134461977.db2.gz KQKROYRKXHWJQK-GHMZBOCLSA-N 2 0 327.429 -0.591 20 0 EBADRP C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001368888468 1134475720 /nfs/dbraw/zinc/47/57/20/1134475720.db2.gz BRMNVUNHAXOKIB-CHWSQXEVSA-N 2 0 338.456 -0.033 20 0 EBADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001368898104 1134478960 /nfs/dbraw/zinc/47/89/60/1134478960.db2.gz ARTFYCAILOVROH-BPCQOVAHSA-N 2 0 339.440 -0.365 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CC(C)(C)C[NH2+][C@@H](C)C(N)=O ZINC001368922925 1134485358 /nfs/dbraw/zinc/48/53/58/1134485358.db2.gz AVQGHSBRASTTOW-KGLIPLIRSA-N 2 0 342.484 -0.097 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2(CCO)C[NH+](C[C@H]3CCCOC3)C2)C1 ZINC001369035561 1134541811 /nfs/dbraw/zinc/54/18/11/1134541811.db2.gz QVNRLGHYRDLXPA-HUUCEWRRSA-N 2 0 325.453 -0.082 20 0 EBADRP COC[C@@H](O)C[NH+]1CC([C@H](C)NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001369092990 1134560829 /nfs/dbraw/zinc/56/08/29/1134560829.db2.gz BHVHATNXJUWYQO-ZFWWWQNUSA-N 2 0 343.468 -0.459 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC(=O)NCC3CC3)C[C@H]21 ZINC001369143996 1134589491 /nfs/dbraw/zinc/58/94/91/1134589491.db2.gz WSESQERWLRJWDS-LVQVYYBASA-N 2 0 334.464 -0.099 20 0 EBADRP C[C@H]([NH2+]CC(=O)NC1CC1)[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001369160324 1134600319 /nfs/dbraw/zinc/60/03/19/1134600319.db2.gz ZJRTWHLIRLYSDG-DZGCQCFKSA-N 2 0 340.468 -0.188 20 0 EBADRP CC[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1)C(N)=O ZINC001369176157 1134606886 /nfs/dbraw/zinc/60/68/86/1134606886.db2.gz AVSJRHLOILNMGG-AJNGGQMLSA-N 2 0 340.468 -0.297 20 0 EBADRP NC(=O)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001369182872 1134609472 /nfs/dbraw/zinc/60/94/72/1134609472.db2.gz VRALXNDVEWFQPR-MKBNYLNASA-N 2 0 337.424 -0.848 20 0 EBADRP C[C@H](CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1)[NH2+]CC(=O)N(C)C ZINC001369258971 1134633175 /nfs/dbraw/zinc/63/31/75/1134633175.db2.gz HLDPUQHJMPNWJT-CQSZACIVSA-N 2 0 342.484 -0.131 20 0 EBADRP Cn1nnc2cc(C[NH2+][C@H](CO)CNC(=O)[C@H]3CCC[N@@H+]3C)ccc21 ZINC001369318217 1134658717 /nfs/dbraw/zinc/65/87/17/1134658717.db2.gz FGHUGPZANWNDLR-XJKSGUPXSA-N 2 0 346.435 -0.371 20 0 EBADRP Cc1cc(C)n(CC[NH2+][C@@H](CO)CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001369387274 1134749240 /nfs/dbraw/zinc/74/92/40/1134749240.db2.gz ZHDYWKABNJIBBD-HZPDHXFCSA-N 2 0 337.468 -0.092 20 0 EBADRP C[C@@H]1C[C@@H]([NH2+]CCS(C)(=O)=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001369409378 1134765793 /nfs/dbraw/zinc/76/57/93/1134765793.db2.gz WSBHTHZFKGSPOK-CHWSQXEVSA-N 2 0 329.466 -0.294 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001369421893 1134772276 /nfs/dbraw/zinc/77/22/76/1134772276.db2.gz OBBCTDZRPSQLRL-CHWSQXEVSA-N 2 0 341.456 -0.342 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001369421896 1134772927 /nfs/dbraw/zinc/77/29/27/1134772927.db2.gz OBBCTDZRPSQLRL-STQMWFEESA-N 2 0 341.456 -0.342 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001369428576 1134775401 /nfs/dbraw/zinc/77/54/01/1134775401.db2.gz XKBAVMZCJTWQSW-NEPJUHHUSA-N 2 0 327.429 -0.732 20 0 EBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C)C(=O)NC(N)=O ZINC001369443758 1134783088 /nfs/dbraw/zinc/78/30/88/1134783088.db2.gz RGJJMPDVALRQJP-NWDGAFQWSA-N 2 0 341.456 -0.262 20 0 EBADRP C[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001369467346 1134814119 /nfs/dbraw/zinc/81/41/19/1134814119.db2.gz CJKQKBHRSVMJAO-KBPBESRZSA-N 2 0 331.457 -0.866 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H]1CC12CC[NH+](CC(=O)NC(N)=O)CC2 ZINC001370077118 1135192255 /nfs/dbraw/zinc/19/22/55/1135192255.db2.gz GTUWTLVHYPQQMN-LBPRGKRZSA-N 2 0 339.440 -0.506 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC(=O)Nc1cnccn1)C1CC1 ZINC001370151354 1135225888 /nfs/dbraw/zinc/22/58/88/1135225888.db2.gz QOXNWTUXNBOIFH-ZIAGYGMSSA-N 2 0 346.435 -0.006 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001370705147 1135523726 /nfs/dbraw/zinc/52/37/26/1135523726.db2.gz CIBSLCMXFZSOKH-GJZGRUSLSA-N 2 0 340.468 -0.737 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001370720975 1135544660 /nfs/dbraw/zinc/54/46/60/1135544660.db2.gz ZOEZRGFGRNELCS-HUUCEWRRSA-N 2 0 340.468 -0.738 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](CO)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001370813523 1135654353 /nfs/dbraw/zinc/65/43/53/1135654353.db2.gz XIJYLANUEJUIJF-ZFWWWQNUSA-N 2 0 340.468 -0.737 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](CO)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001370813522 1135654430 /nfs/dbraw/zinc/65/44/30/1135654430.db2.gz XIJYLANUEJUIJF-UKRRQHHQSA-N 2 0 340.468 -0.737 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001370982225 1135732674 /nfs/dbraw/zinc/73/26/74/1135732674.db2.gz KHTYLHGENRKOMV-KBPBESRZSA-N 2 0 342.484 -0.254 20 0 EBADRP CN(C[C@@H](O)CNC(=O)C1([NH+](C)C)CCC1)C(=O)CC[NH+](C)C ZINC001371028328 1135793350 /nfs/dbraw/zinc/79/33/50/1135793350.db2.gz AUNJTDIFLYIEQI-ZDUSSCGKSA-N 2 0 328.457 -0.642 20 0 EBADRP C[C@H]([NH2+]C1CCC(NC(=O)COC2CC[NH+](C)CC2)CC1)C(N)=O ZINC001371070199 1135831907 /nfs/dbraw/zinc/83/19/07/1135831907.db2.gz IPVDULQONAVGOT-HSBZDZAISA-N 2 0 340.468 -0.012 20 0 EBADRP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001371345062 1135893205 /nfs/dbraw/zinc/89/32/05/1135893205.db2.gz HMHRVKCSZMKKDK-UKRRQHHQSA-N 2 0 340.468 -0.330 20 0 EBADRP Cc1ncc2n1CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(N)=O)C2 ZINC001371365735 1135896651 /nfs/dbraw/zinc/89/66/51/1135896651.db2.gz RJCVRCLRIVJYSP-KOLCDFICSA-N 2 0 336.396 -0.957 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001371469699 1135928245 /nfs/dbraw/zinc/92/82/45/1135928245.db2.gz KSDZLSNBDVEPBD-RBSFLKMASA-N 2 0 340.468 -0.500 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)[NH+](CC)CC ZINC001371473622 1135930712 /nfs/dbraw/zinc/93/07/12/1135930712.db2.gz ZXEUSIWQUNBEMX-QLFBSQMISA-N 2 0 342.484 -0.254 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001371534503 1135958384 /nfs/dbraw/zinc/95/83/84/1135958384.db2.gz GAXYWVJFBYTORL-ZNMIVQPWSA-N 2 0 340.468 -0.644 20 0 EBADRP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1O)[NH+](C)C ZINC001371539970 1135962059 /nfs/dbraw/zinc/96/20/59/1135962059.db2.gz DCDXUXPXCGYXKH-ILXRZTDVSA-N 2 0 340.468 -0.644 20 0 EBADRP C[NH+](C)C1(C(=O)N2CC[C@H](C[NH2+]CC(=O)NC(N)=O)C2)CCC1 ZINC001371562915 1135971020 /nfs/dbraw/zinc/97/10/20/1135971020.db2.gz ITINUFKZFXQAHH-LLVKDONJSA-N 2 0 325.413 -0.896 20 0 EBADRP C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1nnc2n1CCOC2 ZINC001371871101 1136045386 /nfs/dbraw/zinc/04/53/86/1136045386.db2.gz ZHJJHOBTOJEOGS-CYBMUJFWSA-N 2 0 348.451 -0.112 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001372937608 1136331400 /nfs/dbraw/zinc/33/14/00/1136331400.db2.gz IWRSSPXQRZXMSW-NEPJUHHUSA-N 2 0 327.429 -0.508 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)CC(=O)NC(N)=O)C1 ZINC001373311962 1136426115 /nfs/dbraw/zinc/42/61/15/1136426115.db2.gz KKWAAWGSEXXKHQ-LBPRGKRZSA-N 2 0 327.429 -0.698 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001373459282 1136463397 /nfs/dbraw/zinc/46/33/97/1136463397.db2.gz MWHQGGRZGCQQEG-LSDHHAIUSA-N 2 0 340.468 -0.519 20 0 EBADRP CCN1CCO[C@H](C(=O)N(C)CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001373535028 1136488037 /nfs/dbraw/zinc/48/80/37/1136488037.db2.gz WGATXSRMOCJGTC-HNNXBMFYSA-N 2 0 340.468 -0.377 20 0 EBADRP CN(CCNC(=O)COC1CC[NH+](C)CC1)C(=O)CC[NH+](C)C ZINC001373640353 1136522986 /nfs/dbraw/zinc/52/29/86/1136522986.db2.gz VZNJMPXPERDAHY-UHFFFAOYSA-N 2 0 328.457 -0.377 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001374250624 1136658091 /nfs/dbraw/zinc/65/80/91/1136658091.db2.gz RFZNYROBLNZQPD-CHWSQXEVSA-N 2 0 341.456 -0.262 20 0 EBADRP CC(C)C[C@@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374369069 1136678805 /nfs/dbraw/zinc/67/88/05/1136678805.db2.gz UIILBACJJDFPFY-OLZOCXBDSA-N 2 0 338.456 -0.319 20 0 EBADRP CC(C)[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001374431942 1136686850 /nfs/dbraw/zinc/68/68/50/1136686850.db2.gz PRXDJPZPELDPAF-YPMHNXCESA-N 2 0 341.456 -0.358 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)c1sccc1C[NH+](C)C ZINC001374612695 1136746070 /nfs/dbraw/zinc/74/60/70/1136746070.db2.gz QJAQSKRAMXCEGY-GFCCVEGCSA-N 2 0 342.465 -0.422 20 0 EBADRP COC[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001374624248 1136756537 /nfs/dbraw/zinc/75/65/37/1136756537.db2.gz IBNKPONKZWFNRM-GXTWGEPZSA-N 2 0 333.392 -0.018 20 0 EBADRP CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001374641320 1136769212 /nfs/dbraw/zinc/76/92/12/1136769212.db2.gz ZUIZEBLAEXWECH-QWHCGFSZSA-N 2 0 326.441 -0.984 20 0 EBADRP C[NH+]1CCC(OCC(=O)NC[C@H](O)C[NH2+]Cc2ccccn2)CC1 ZINC001374657268 1136779875 /nfs/dbraw/zinc/77/98/75/1136779875.db2.gz ISAPGIVBFPXZFF-OAHLLOKOSA-N 2 0 336.436 -0.241 20 0 EBADRP Cc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C(C)C)[NH+](C)C)nn1C ZINC001374675623 1136793646 /nfs/dbraw/zinc/79/36/46/1136793646.db2.gz UADLMBHMJJQSGI-HUUCEWRRSA-N 2 0 325.457 -0.119 20 0 EBADRP C[NH+](C)Cc1cccc(C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCC2)c1 ZINC001374686074 1136801596 /nfs/dbraw/zinc/80/15/96/1136801596.db2.gz RWAOZELIKFSWSV-INIZCTEOSA-N 2 0 348.447 -0.339 20 0 EBADRP CC[C@H](C(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1)[NH+](C)C ZINC001374717735 1136812153 /nfs/dbraw/zinc/81/21/53/1136812153.db2.gz IBUCNEIPMWDUCO-CABCVRRESA-N 2 0 340.468 -0.237 20 0 EBADRP C[NH+]1CCC(OCC(=O)NC2CN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001374749048 1136821793 /nfs/dbraw/zinc/82/17/93/1136821793.db2.gz HBUVARKDQZUROX-UHFFFAOYSA-N 2 0 338.452 -0.480 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)s1 ZINC001374797867 1136835296 /nfs/dbraw/zinc/83/52/96/1136835296.db2.gz FDNWWESZZVXKHW-MWLCHTKSSA-N 2 0 340.453 -0.026 20 0 EBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000337725841 282141707 /nfs/dbraw/zinc/14/17/07/282141707.db2.gz TWFXKEBJHHBZHV-YQQAZPJKSA-N 2 0 342.484 -0.024 20 0 EBADRP CCN(C(=O)C(=O)N[C@@H]1CC[NH+](CCOC)C1)[C@@H]1CC[N@H+](C)C1 ZINC000668840209 545769025 /nfs/dbraw/zinc/76/90/25/545769025.db2.gz FGYJTUDBVFPTKW-ZIAGYGMSSA-N 2 0 326.441 -0.624 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)NCC(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000583920590 375885851 /nfs/dbraw/zinc/88/58/51/375885851.db2.gz OSIGJAWHSPNAEU-OKILXGFUSA-N 2 0 341.456 -0.783 20 0 EBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000643594605 375923150 /nfs/dbraw/zinc/92/31/50/375923150.db2.gz XNUJZIKCVRBOKS-CABCVRRESA-N 2 0 337.468 -0.955 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000625287798 376043068 /nfs/dbraw/zinc/04/30/68/376043068.db2.gz MTJFRTCIPAKQNK-AWEZNQCLSA-N 2 0 348.513 -0.390 20 0 EBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC000642732129 376055943 /nfs/dbraw/zinc/05/59/43/376055943.db2.gz APHCACBUMWAHFH-MGPQQGTHSA-N 2 0 326.441 -0.591 20 0 EBADRP CN1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[C@@H](C[NH3+])C1 ZINC000584043464 376061613 /nfs/dbraw/zinc/06/16/13/376061613.db2.gz XFBOTRPACNDGRU-MCIONIFRSA-N 2 0 325.457 -0.923 20 0 EBADRP C[C@H](O)[C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000584218028 376220248 /nfs/dbraw/zinc/22/02/48/376220248.db2.gz UOSTUFOVACXCBO-GJZGRUSLSA-N 2 0 342.484 -0.442 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@]1(C)CCOC1 ZINC000558209870 376228786 /nfs/dbraw/zinc/22/87/86/376228786.db2.gz LPQALUDDWYHBEN-MRXNPFEDSA-N 2 0 328.457 -0.519 20 0 EBADRP CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000564933480 376411457 /nfs/dbraw/zinc/41/14/57/376411457.db2.gz ABXNZSUMDAEWHN-CQSZACIVSA-N 2 0 337.472 -0.370 20 0 EBADRP COC(=O)CCNC(=O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600755366 376492896 /nfs/dbraw/zinc/49/28/96/376492896.db2.gz GYWVPRLKLQMOEM-CQSZACIVSA-N 2 0 327.425 -0.244 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@H]2C[C@@H](C(N)=O)C2)C1 ZINC000626036627 376668042 /nfs/dbraw/zinc/66/80/42/376668042.db2.gz JHHSMFPWNHRXGS-ZNMIVQPWSA-N 2 0 340.468 -0.345 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCCCO1 ZINC000560315163 376675286 /nfs/dbraw/zinc/67/52/86/376675286.db2.gz PGAANVQUXHTNTI-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)C[C@@H](C)O1 ZINC000642901691 376677907 /nfs/dbraw/zinc/67/79/07/376677907.db2.gz AYUOTRFNRGHNKR-KFWWJZLASA-N 2 0 340.468 -0.140 20 0 EBADRP CCOC(=O)[C@@H]1C[N@H+](C[C@@H](O)CN(C)CCOC)CC12COC2 ZINC000583389645 376766352 /nfs/dbraw/zinc/76/63/52/376766352.db2.gz SWJDEFYNZFPKDB-KBPBESRZSA-N 2 0 330.425 -0.563 20 0 EBADRP CCC[NH2+]CCNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000642916979 376747115 /nfs/dbraw/zinc/74/71/15/376747115.db2.gz XNUKHHDALBDKPM-CQSZACIVSA-N 2 0 326.441 -0.575 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000561145605 376809728 /nfs/dbraw/zinc/80/97/28/376809728.db2.gz XEDOXYQIGKQEJH-CQSZACIVSA-N 2 0 326.441 -0.273 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000561203721 376814727 /nfs/dbraw/zinc/81/47/27/376814727.db2.gz LSECNXGLIHYAEA-UHFFFAOYSA-N 2 0 348.451 -0.173 20 0 EBADRP CN1CCN(C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H](C[NH3+])C1 ZINC000561234628 376817729 /nfs/dbraw/zinc/81/77/29/376817729.db2.gz QLZATFJNXXWZHM-KBPBESRZSA-N 2 0 341.500 -0.430 20 0 EBADRP CS(=O)(=O)N[C@@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000635002555 376862718 /nfs/dbraw/zinc/86/27/18/376862718.db2.gz UKQNHBFWYGVDFS-QWHCGFSZSA-N 2 0 332.470 -0.803 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000562012108 376903991 /nfs/dbraw/zinc/90/39/91/376903991.db2.gz GWXDAWJNUNELAL-GJZGRUSLSA-N 2 0 337.468 -0.955 20 0 EBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000562961590 377066379 /nfs/dbraw/zinc/06/63/79/377066379.db2.gz CTCBUJJDQBBXLA-HUUCEWRRSA-N 2 0 339.484 -0.580 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000572602261 377090752 /nfs/dbraw/zinc/09/07/52/377090752.db2.gz LZQWIQSBSGOAOW-QWHCGFSZSA-N 2 0 328.457 -0.155 20 0 EBADRP [NH3+]C[C@@H]1C[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)CCCO1 ZINC000569977553 377190221 /nfs/dbraw/zinc/19/02/21/377190221.db2.gz PBCPVHBYGLNOGP-OAHLLOKOSA-N 2 0 348.451 -0.435 20 0 EBADRP [NH3+]C[C@H]1C[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)CCCO1 ZINC000569977547 377190976 /nfs/dbraw/zinc/19/09/76/377190976.db2.gz PBCPVHBYGLNOGP-HNNXBMFYSA-N 2 0 348.451 -0.435 20 0 EBADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000569957972 377186972 /nfs/dbraw/zinc/18/69/72/377186972.db2.gz YIOODFHFNJSFLC-QLFBSQMISA-N 2 0 338.452 -0.352 20 0 EBADRP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000570399874 377241596 /nfs/dbraw/zinc/24/15/96/377241596.db2.gz ODGRBHYQPCSOBH-AWEZNQCLSA-N 2 0 336.440 -0.835 20 0 EBADRP CN1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)[C@H](C[NH3+])C1 ZINC000570919189 377299750 /nfs/dbraw/zinc/29/97/50/377299750.db2.gz IBSONJAPVYZCDZ-RHSMWYFYSA-N 2 0 337.468 -0.968 20 0 EBADRP C[C@@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)C[NH+]1CCN(C)CC1 ZINC000574919599 377303308 /nfs/dbraw/zinc/30/33/08/377303308.db2.gz GJAKJMJENKRVNS-INIZCTEOSA-N 2 0 348.495 -0.039 20 0 EBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000642978807 377437329 /nfs/dbraw/zinc/43/73/29/377437329.db2.gz GWTSPDAUQUBDKU-ZDUSSCGKSA-N 2 0 338.452 -0.304 20 0 EBADRP [NH3+][C@H]1C[C@H]2CN(S(=O)(=O)CCC[NH+]3CCCC3)CCN2C1=O ZINC000601342256 377527847 /nfs/dbraw/zinc/52/78/47/377527847.db2.gz ANGRMXCKEQKCMP-STQMWFEESA-N 2 0 330.454 -0.954 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@@H+]2CC[C@H](O)C2)C[C@@H](C)O1 ZINC000636518741 377544050 /nfs/dbraw/zinc/54/40/50/377544050.db2.gz BDRSEJYNVLKQCE-KFWWJZLASA-N 2 0 328.457 -0.149 20 0 EBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000364333973 377583873 /nfs/dbraw/zinc/58/38/73/377583873.db2.gz CLNOLMYKGBMULY-BZUAXINKSA-N 2 0 339.484 -0.215 20 0 EBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000364333976 377585284 /nfs/dbraw/zinc/58/52/84/377585284.db2.gz CLNOLMYKGBMULY-PMPSAXMXSA-N 2 0 339.484 -0.215 20 0 EBADRP CCOC(=O)C1([C@H](C)[NH2+]CC(=O)N2CCN(C)CC2)CC[NH2+]CC1 ZINC000591570679 377721055 /nfs/dbraw/zinc/72/10/55/377721055.db2.gz AGDIJZVQJJMLNK-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)CCN2C1=O ZINC000594879654 377967057 /nfs/dbraw/zinc/96/70/57/377967057.db2.gz FTKXHFXRGNSBLL-KFWWJZLASA-N 2 0 336.436 -0.600 20 0 EBADRP CC(C)C[N@H+](C)CCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595274737 377987769 /nfs/dbraw/zinc/98/77/69/377987769.db2.gz URQVIHUOKWBYDP-ZIAGYGMSSA-N 2 0 325.457 -0.082 20 0 EBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CCN2C1=O ZINC000595270606 377988028 /nfs/dbraw/zinc/98/80/28/377988028.db2.gz FPOCBJDKXGSUQF-TUVASFSCSA-N 2 0 335.452 -0.043 20 0 EBADRP COC(=O)CCN1CCC[C@@H]([N@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000595887046 378030622 /nfs/dbraw/zinc/03/06/22/378030622.db2.gz BPAOGICRABNNPM-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)NCCOCC[NH2+]C)C2)CC1 ZINC000599934900 378285025 /nfs/dbraw/zinc/28/50/25/378285025.db2.gz GJALLBUEZIHLOU-HNNXBMFYSA-N 2 0 327.473 -0.356 20 0 EBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)Cc3cccc4c3CC[NH2+]C4)CCN2C1=O ZINC000602525956 378361988 /nfs/dbraw/zinc/36/19/88/378361988.db2.gz NJGKUCOENJCFGA-GOEBONIOSA-N 2 0 328.416 -0.355 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000636708719 378330304 /nfs/dbraw/zinc/33/03/04/378330304.db2.gz XCLPYMQFZFESHJ-HNNXBMFYSA-N 2 0 328.457 -0.147 20 0 EBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000602148024 378334745 /nfs/dbraw/zinc/33/47/45/378334745.db2.gz IFGAHBWFZZPAIV-HNNXBMFYSA-N 2 0 340.468 -0.423 20 0 EBADRP COC(=O)c1c[nH]nc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000603280766 378395710 /nfs/dbraw/zinc/39/57/10/378395710.db2.gz POKPAVXNBWPSRI-UHFFFAOYSA-N 2 0 347.441 -0.690 20 0 EBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000636808425 378405037 /nfs/dbraw/zinc/40/50/37/378405037.db2.gz IPGNRWAZGSPLTE-GDBMZVCRSA-N 2 0 340.468 -0.147 20 0 EBADRP C[C@H](CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)C[NH+]1CCN(C)CC1 ZINC000636850297 378414917 /nfs/dbraw/zinc/41/49/17/378414917.db2.gz ZBPKBNIQVRIHNI-HUUCEWRRSA-N 2 0 327.473 -0.764 20 0 EBADRP CCOC[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000563147738 378453902 /nfs/dbraw/zinc/45/39/02/378453902.db2.gz YEADCRNEKSFEDB-HNNXBMFYSA-N 2 0 342.484 -0.177 20 0 EBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@@]1(CC(=O)N[C@@H](C)C[C@H](C)[NH3+])CC[NH2+]C1 ZINC000563169173 378570333 /nfs/dbraw/zinc/57/03/33/378570333.db2.gz GPBLACVVRLDDEQ-IQNXINDISA-N 3 0 341.500 -0.160 20 0 EBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCC[NH+]2CCC2)CC1 ZINC000337589697 378667510 /nfs/dbraw/zinc/66/75/10/378667510.db2.gz HKJURNMIQYAABV-UHFFFAOYSA-N 2 0 325.457 -0.066 20 0 EBADRP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000337705329 378682278 /nfs/dbraw/zinc/68/22/78/378682278.db2.gz XHIFQNJUWHELJL-IAGOWNOFSA-N 2 0 336.480 -0.053 20 0 EBADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)NCC[NH+]1CCC1 ZINC000337750553 378690308 /nfs/dbraw/zinc/69/03/08/378690308.db2.gz ZIGWUYYJSAHLDX-UHFFFAOYSA-N 2 0 327.473 -0.619 20 0 EBADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000339573118 378948030 /nfs/dbraw/zinc/94/80/30/378948030.db2.gz IDPYGKNANNKYHI-HNNXBMFYSA-N 2 0 342.484 -0.083 20 0 EBADRP C[NH+]1CCC(NC(=O)C(=O)N2CCN(CC(C)(C)O)CC2)CC1 ZINC000339634270 378961722 /nfs/dbraw/zinc/96/17/22/378961722.db2.gz QCOQQTMBYRFWKT-UHFFFAOYSA-N 2 0 326.441 -0.888 20 0 EBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)CCN2CCOCC2)CC1 ZINC000339634179 378962188 /nfs/dbraw/zinc/96/21/88/378962188.db2.gz NRARHFNRCKMSAF-UHFFFAOYSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NCCN2CCOC[C@@H]2C)CC1 ZINC000339634570 378962500 /nfs/dbraw/zinc/96/25/00/378962500.db2.gz ZKYGFAWORQMSLJ-AWEZNQCLSA-N 2 0 340.468 -0.188 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000339652021 378965216 /nfs/dbraw/zinc/96/52/16/378965216.db2.gz PVQFJTJXMMXXOE-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627469793 379008032 /nfs/dbraw/zinc/00/80/32/379008032.db2.gz FEYULMVPYMWUCB-TZMCWYRMSA-N 2 0 326.441 -0.720 20 0 EBADRP C[C@H]1C[C@H](C[NH+]2CCN(S(=O)(=O)N3CCOCC3)CC2)CC[NH2+]1 ZINC000563435546 379020071 /nfs/dbraw/zinc/02/00/71/379020071.db2.gz HDEKQSWPCPOIEL-LSDHHAIUSA-N 2 0 346.497 -0.431 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)NC[C@H]3C[NH2+]CCO3)CC2)c1 ZINC000563609755 379050628 /nfs/dbraw/zinc/05/06/28/379050628.db2.gz MTTXICBHGYTIPS-CQSZACIVSA-N 2 0 335.408 -0.090 20 0 EBADRP COC[C@]1(CNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)CCC[NH2+]1 ZINC000563601548 379050644 /nfs/dbraw/zinc/05/06/44/379050644.db2.gz XMFRPQHDGRAILH-OFQRWUPVSA-N 2 0 328.457 -0.149 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+]C2(CO)CCOCC2)C1 ZINC000069248009 379081395 /nfs/dbraw/zinc/08/13/95/379081395.db2.gz TVLPKQSFXSGLDJ-HNNXBMFYSA-N 2 0 343.468 -0.410 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCOCC[NH3+])C[C@H]1C ZINC000629799389 379142173 /nfs/dbraw/zinc/14/21/73/379142173.db2.gz PFOMVJLRPIIVGZ-KGLIPLIRSA-N 2 0 328.457 -0.249 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000629798506 379142789 /nfs/dbraw/zinc/14/27/89/379142789.db2.gz XQWRIIDRDQJFET-OAHLLOKOSA-N 2 0 339.484 -0.578 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000629800715 379144801 /nfs/dbraw/zinc/14/48/01/379144801.db2.gz ZMYGLVUNUGLZTN-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)[C@H]1c1ccccc1 ZINC000627297633 379147494 /nfs/dbraw/zinc/14/74/94/379147494.db2.gz PBRHQYVMDUABNP-HRCADAONSA-N 2 0 346.431 -0.347 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000629813661 379154115 /nfs/dbraw/zinc/15/41/15/379154115.db2.gz LCICCDDGKPUJKV-UHFFFAOYSA-N 2 0 340.468 -0.103 20 0 EBADRP O=C(NCCCN1CCOCC1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000457390849 379185205 /nfs/dbraw/zinc/18/52/05/379185205.db2.gz CMIXMZIYFGOJDR-OAHLLOKOSA-N 2 0 328.457 -0.145 20 0 EBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@]1(O)CCOC1 ZINC000413283469 379224074 /nfs/dbraw/zinc/22/40/74/379224074.db2.gz SLTHXXGGILPJSA-QGZVFWFLSA-N 2 0 334.420 -0.139 20 0 EBADRP CCNC(=O)C(C)(C)[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000459568070 379248502 /nfs/dbraw/zinc/24/85/02/379248502.db2.gz ZIFSZOZNUWOLEH-CQSZACIVSA-N 2 0 342.484 -0.036 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000627306010 379278543 /nfs/dbraw/zinc/27/85/43/379278543.db2.gz NGBGTJMXSHHPOH-HUUCEWRRSA-N 2 0 340.468 -0.322 20 0 EBADRP O=C(N[C@@H]1CC[NH2+]C1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000627305624 379278690 /nfs/dbraw/zinc/27/86/90/379278690.db2.gz CBTQUKGZHARRHL-ILXRZTDVSA-N 2 0 338.452 -0.651 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000627306009 379279658 /nfs/dbraw/zinc/27/96/58/379279658.db2.gz NGBGTJMXSHHPOH-GJZGRUSLSA-N 2 0 340.468 -0.322 20 0 EBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627320478 379322136 /nfs/dbraw/zinc/32/21/36/379322136.db2.gz DNNNCRCVAQSUCA-ZDUSSCGKSA-N 2 0 326.441 -0.399 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000627332164 379339903 /nfs/dbraw/zinc/33/99/03/379339903.db2.gz RUPXNMIVXYNTSQ-ZIAGYGMSSA-N 2 0 326.441 -0.672 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627333078 379346414 /nfs/dbraw/zinc/34/64/14/379346414.db2.gz STBWLYLBSBOAOT-ZIAGYGMSSA-N 2 0 326.441 -0.672 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627332582 379343877 /nfs/dbraw/zinc/34/38/77/379343877.db2.gz DMGOPZBIAULGFP-CQSZACIVSA-N 2 0 340.468 -0.153 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000627312171 379304045 /nfs/dbraw/zinc/30/40/45/379304045.db2.gz RFOHKULDTOLADA-UONOGXRCSA-N 2 0 328.457 -0.425 20 0 EBADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627312399 379304813 /nfs/dbraw/zinc/30/48/13/379304813.db2.gz XTWLBUOFNRNVJL-QLFBSQMISA-N 2 0 342.484 -0.097 20 0 EBADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000627314102 379312946 /nfs/dbraw/zinc/31/29/46/379312946.db2.gz UPZGDEQGKPKJQE-ZNMIVQPWSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)CCOCCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000471636700 379375364 /nfs/dbraw/zinc/37/53/64/379375364.db2.gz NYPBKYBRODTJER-UHFFFAOYSA-N 2 0 329.489 -0.110 20 0 EBADRP C[NH+](C)CCOCCNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000471633284 379377014 /nfs/dbraw/zinc/37/70/14/379377014.db2.gz FKEDUVAXHJEKKZ-OAHLLOKOSA-N 2 0 328.457 -0.072 20 0 EBADRP C[C@H]1CC[C@H](NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[NH2+]1 ZINC000627334034 379351299 /nfs/dbraw/zinc/35/12/99/379351299.db2.gz DAEXHLUDPGYYBD-KBPBESRZSA-N 2 0 339.484 -0.615 20 0 EBADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000269249598 379351911 /nfs/dbraw/zinc/35/19/11/379351911.db2.gz GENRQBIVTLQBCS-MRXNPFEDSA-N 2 0 348.447 -0.027 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621844391 379366712 /nfs/dbraw/zinc/36/67/12/379366712.db2.gz QVHZVRWXIAIQDN-XJKSGUPXSA-N 2 0 326.441 -0.589 20 0 EBADRP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]1CCOCC1)C2 ZINC000621844704 379369832 /nfs/dbraw/zinc/36/98/32/379369832.db2.gz VQHJNYYWFAZNDF-RHSMWYFYSA-N 2 0 338.452 -0.445 20 0 EBADRP Nc1nc(NCCN2CC[NH+](Cc3ccccc3)CC2)nc(N)[nH+]1 ZINC000623800276 379465255 /nfs/dbraw/zinc/46/52/55/379465255.db2.gz BTGUQFZERNOVCS-UHFFFAOYSA-N 2 0 328.424 -0.652 20 0 EBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000627402634 379583548 /nfs/dbraw/zinc/58/35/48/379583548.db2.gz MENOANKXMXSKRF-AWEZNQCLSA-N 2 0 338.452 -0.447 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000627425103 379592073 /nfs/dbraw/zinc/59/20/73/379592073.db2.gz FDFFHEQXXSVBFD-KGLIPLIRSA-N 2 0 326.441 -0.528 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000627429092 379594622 /nfs/dbraw/zinc/59/46/22/379594622.db2.gz XZKWAMKCSNNEPO-QLFBSQMISA-N 2 0 338.452 -0.387 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[NH2+]1 ZINC000627428850 379595087 /nfs/dbraw/zinc/59/50/87/379595087.db2.gz QASZWLXDENGZFO-SNPRPXQTSA-N 2 0 338.452 -0.387 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627430039 379595698 /nfs/dbraw/zinc/59/56/98/379595698.db2.gz JBKJSHCUXIXRIU-CYBMUJFWSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000627358106 379565009 /nfs/dbraw/zinc/56/50/09/379565009.db2.gz ARIHYMUPCBTZLB-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NCC2([NH3+])CCOCC2)CCSC1 ZINC000627370888 379567885 /nfs/dbraw/zinc/56/78/85/379567885.db2.gz PNCVLXUDBLWVFX-HNNXBMFYSA-N 2 0 344.481 -0.836 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627367359 379568982 /nfs/dbraw/zinc/56/89/82/379568982.db2.gz RCOCZIFVXQQQLI-KGLIPLIRSA-N 2 0 338.452 -0.386 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627367361 379569863 /nfs/dbraw/zinc/56/98/63/379569863.db2.gz RCOCZIFVXQQQLI-ZIAGYGMSSA-N 2 0 338.452 -0.386 20 0 EBADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000627371011 379572499 /nfs/dbraw/zinc/57/24/99/379572499.db2.gz SORXFIYWOZNTAC-BBRMVZONSA-N 2 0 342.509 -0.004 20 0 EBADRP CC1(C)CC(NC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC(C)(C)[NH2+]1 ZINC000627390765 379578361 /nfs/dbraw/zinc/57/83/61/379578361.db2.gz WWLPBBUQIKSTDK-GFCCVEGCSA-N 2 0 326.441 -0.484 20 0 EBADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)NCCOCCC[NH3+] ZINC000627488701 379637971 /nfs/dbraw/zinc/63/79/71/379637971.db2.gz GRBDHMGRHJNXQT-KBPBESRZSA-N 2 0 328.457 -0.153 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627503929 379647739 /nfs/dbraw/zinc/64/77/39/379647739.db2.gz LFAVWGLPAVDCRI-UONOGXRCSA-N 2 0 338.452 -0.434 20 0 EBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627455162 379606000 /nfs/dbraw/zinc/60/60/00/379606000.db2.gz NDYRIOOQJYYUJA-ZDUSSCGKSA-N 2 0 326.441 -0.401 20 0 EBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCOCC[NH2+]C)C[C@H]1C ZINC000627462362 379610173 /nfs/dbraw/zinc/61/01/73/379610173.db2.gz RKJQPJSFOATDQB-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCOCC[NH2+]C)CC1 ZINC000627461126 379610194 /nfs/dbraw/zinc/61/01/94/379610194.db2.gz FMWYTXWNSNIFNG-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)C[NH+]1CCCCC1 ZINC000627468661 379613799 /nfs/dbraw/zinc/61/37/99/379613799.db2.gz ATFAXBLKQRHZFZ-UONOGXRCSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000627468692 379615227 /nfs/dbraw/zinc/61/52/27/379615227.db2.gz BHAASNADZJRSCU-HZSPNIEDSA-N 2 0 326.441 -0.672 20 0 EBADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627472542 379620640 /nfs/dbraw/zinc/62/06/40/379620640.db2.gz SGBPUPHSWQCMDF-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627475583 379624982 /nfs/dbraw/zinc/62/49/82/379624982.db2.gz PQSMPMGLTLYMJL-HZSPNIEDSA-N 2 0 326.441 -0.530 20 0 EBADRP CCN1C[C@H](S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1=O ZINC000631897441 379725304 /nfs/dbraw/zinc/72/53/04/379725304.db2.gz IERPLQPJNGTVNG-CYBMUJFWSA-N 2 0 334.486 -0.638 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631924706 379747422 /nfs/dbraw/zinc/74/74/22/379747422.db2.gz CACTVROTUOPZJH-LSDHHAIUSA-N 2 0 349.497 -0.263 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CCO1 ZINC000631953817 379791408 /nfs/dbraw/zinc/79/14/08/379791408.db2.gz SRHNINFXCJTNMI-UONOGXRCSA-N 2 0 335.470 -0.653 20 0 EBADRP [NH3+]C[C@@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC[C@@H]1C(F)(F)F ZINC000631954623 379791644 /nfs/dbraw/zinc/79/16/44/379791644.db2.gz SKQAIHNGCUCWES-MXWKQRLJSA-N 2 0 345.387 -0.236 20 0 EBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CCO1 ZINC000642298208 379799569 /nfs/dbraw/zinc/79/95/69/379799569.db2.gz QPABFJKIVVACBR-ZIAGYGMSSA-N 2 0 326.441 -0.447 20 0 EBADRP CN1CCO[C@H](CS(=O)(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000632066655 379810229 /nfs/dbraw/zinc/81/02/29/379810229.db2.gz LTBLZIPQHSMMMF-QWHCGFSZSA-N 2 0 337.511 -0.326 20 0 EBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000627093177 379802882 /nfs/dbraw/zinc/80/28/82/379802882.db2.gz JNBZZZBHWCWERV-UYSNPLJNSA-N 2 0 339.484 -0.431 20 0 EBADRP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000626978305 379770321 /nfs/dbraw/zinc/77/03/21/379770321.db2.gz CDKYXXMEVQPTPY-CQSZACIVSA-N 2 0 327.473 -0.310 20 0 EBADRP C[NH+](C)CCN(Cc1ccccn1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000631918754 379776874 /nfs/dbraw/zinc/77/68/74/379776874.db2.gz LIHWQXBAHHZWGV-OAHLLOKOSA-N 2 0 342.465 -0.237 20 0 EBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000631936022 379785489 /nfs/dbraw/zinc/78/54/89/379785489.db2.gz QTOGHTTYMVOCLX-HNNXBMFYSA-N 2 0 339.465 -0.044 20 0 EBADRP O=S(=O)(CCC[NH+]1CCCC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000631938047 379787131 /nfs/dbraw/zinc/78/71/31/379787131.db2.gz RRVXUECQWWDNQY-HNNXBMFYSA-N 2 0 330.498 -0.218 20 0 EBADRP C[C@H]1CC[C@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C[NH2+]1 ZINC000627210125 379839466 /nfs/dbraw/zinc/83/94/66/379839466.db2.gz MMQKQOPPLRRPFL-KBPBESRZSA-N 2 0 338.456 -0.521 20 0 EBADRP CNC(=O)[C@H]1CCCN1CC1(C[N@@H+]2CCC[C@@H]2C(=O)NC)COC1 ZINC000172723484 379895691 /nfs/dbraw/zinc/89/56/91/379895691.db2.gz BOPGPAWFOKMFGJ-ZIAGYGMSSA-N 2 0 338.452 -0.576 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633094621 379933916 /nfs/dbraw/zinc/93/39/16/379933916.db2.gz KWDGYVUNGKXDQR-STQMWFEESA-N 2 0 345.403 -0.689 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000633100504 379938377 /nfs/dbraw/zinc/93/83/77/379938377.db2.gz WAHNCWPDKFPKKB-KKUMJFAQSA-N 2 0 338.452 -0.482 20 0 EBADRP O=C(C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633103683 379940077 /nfs/dbraw/zinc/94/00/77/379940077.db2.gz QXBBQXUYCNUYHY-KKUMJFAQSA-N 2 0 336.436 -0.870 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)C1 ZINC000633146546 379949007 /nfs/dbraw/zinc/94/90/07/379949007.db2.gz PEAULDOQKDXJAI-QLFBSQMISA-N 2 0 340.468 -0.106 20 0 EBADRP C[C@H](CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C[NH+]1CCN(C)CC1 ZINC000354737235 380089647 /nfs/dbraw/zinc/08/96/47/380089647.db2.gz IIXZAVCNIRBHDU-HUUCEWRRSA-N 2 0 339.484 -0.756 20 0 EBADRP C(CC[N@@H+]1CCN2CCOC[C@H]2C1)C[NH+]1CCN2CCOC[C@H]2C1 ZINC000543559624 380063885 /nfs/dbraw/zinc/06/38/85/380063885.db2.gz RHBMIQFCRCWQOS-QZTJIDSGSA-N 2 0 338.496 -0.201 20 0 EBADRP CC[C@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+]1CCOC ZINC000354674058 380077534 /nfs/dbraw/zinc/07/75/34/380077534.db2.gz LYFHDFTZDMJIJN-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)NCC2CC[NH+](CCO)CC2)CCC1 ZINC000354689764 380081280 /nfs/dbraw/zinc/08/12/80/380081280.db2.gz UKHXNYATDALSSY-UHFFFAOYSA-N 2 0 340.468 -0.593 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CCSC1 ZINC000354684190 380082408 /nfs/dbraw/zinc/08/24/08/380082408.db2.gz XOILUWGLBJXKAE-SWLSCSKDSA-N 2 0 328.482 -0.202 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638099918 380136035 /nfs/dbraw/zinc/13/60/35/380136035.db2.gz WJCGBYRBEZYUBB-QGZVFWFLSA-N 2 0 340.468 -0.246 20 0 EBADRP C[NH+](C)C1CCN(CCNC(=O)NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000545882987 380100214 /nfs/dbraw/zinc/10/02/14/380100214.db2.gz PPSSYZYIFRHRTE-MRXNPFEDSA-N 2 0 327.473 -0.622 20 0 EBADRP COC[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCCC[NH2+]1 ZINC000638089334 380114546 /nfs/dbraw/zinc/11/45/46/380114546.db2.gz NXUFYTKCVQNBOP-WMLDXEAASA-N 2 0 340.468 -0.151 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638098084 380134059 /nfs/dbraw/zinc/13/40/59/380134059.db2.gz ZAUYQASBDIECEC-CZUORRHYSA-N 2 0 326.441 -0.576 20 0 EBADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CC[NH2+]C[C@H]2C(C)C)nn1 ZINC000630704230 380204561 /nfs/dbraw/zinc/20/45/61/380204561.db2.gz NANCWOMTDSDSOX-AEGPPILISA-N 2 0 336.440 -0.564 20 0 EBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000638117991 380168244 /nfs/dbraw/zinc/16/82/44/380168244.db2.gz QEPFTGDCXVEAME-VYDXJSESSA-N 2 0 340.468 -0.724 20 0 EBADRP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CC[NH+](CC2CCOCC2)CC1 ZINC000367197368 380179860 /nfs/dbraw/zinc/17/98/60/380179860.db2.gz RVJUFTGASLREKN-KRWDZBQOSA-N 2 0 336.480 -0.053 20 0 EBADRP CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CC[NH2+]C[C@@H]2C(C)C)nn1 ZINC000630704231 380205607 /nfs/dbraw/zinc/20/56/07/380205607.db2.gz NANCWOMTDSDSOX-NWANDNLSSA-N 2 0 336.440 -0.564 20 0 EBADRP C[NH+]1CCN(c2ncccc2CNC(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638137809 380199762 /nfs/dbraw/zinc/19/97/62/380199762.db2.gz OINAKEDPMNXTGJ-QGZVFWFLSA-N 2 0 333.436 -0.172 20 0 EBADRP C[C@H](C[NH+](C)C)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000358506861 380237244 /nfs/dbraw/zinc/23/72/44/380237244.db2.gz UKOVNBOXDRMEJQ-KGLIPLIRSA-N 2 0 325.457 -0.116 20 0 EBADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000638226422 380293869 /nfs/dbraw/zinc/29/38/69/380293869.db2.gz GFRFHAUBNLGDQD-ROUUACIJSA-N 2 0 345.491 -0.048 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000564430383 380371872 /nfs/dbraw/zinc/37/18/72/380371872.db2.gz COQYMAOJTCEMFZ-CVEARBPZSA-N 2 0 339.484 -0.214 20 0 EBADRP C[NH+](C)C1CCN(CCNC(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000340250263 380340093 /nfs/dbraw/zinc/34/00/93/380340093.db2.gz JLPQUMMTJDYVMN-UHFFFAOYSA-N 2 0 341.500 -0.232 20 0 EBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000340250954 380344992 /nfs/dbraw/zinc/34/49/92/380344992.db2.gz QMIUQRIMVPVOAQ-MRXNPFEDSA-N 2 0 329.489 -0.376 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000153226519 380423468 /nfs/dbraw/zinc/42/34/68/380423468.db2.gz AFJWIHBPIQHHFP-ZDUSSCGKSA-N 2 0 336.440 -0.016 20 0 EBADRP CN1CC[NH2+]C[C@H]1CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000565602855 380427178 /nfs/dbraw/zinc/42/71/78/380427178.db2.gz JIFLFNVITLKSBZ-HNNXBMFYSA-N 2 0 332.452 -0.533 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)C1CC1 ZINC000153267339 380428007 /nfs/dbraw/zinc/42/80/07/380428007.db2.gz ZZYMNBVWFQGNJB-UHFFFAOYSA-N 2 0 336.440 -0.016 20 0 EBADRP CCOc1cccc(CNC(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000565844327 380435983 /nfs/dbraw/zinc/43/59/83/380435983.db2.gz ZFOFUAIYYYBFOS-GOEBONIOSA-N 2 0 346.431 -0.055 20 0 EBADRP CSCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000566204010 380453830 /nfs/dbraw/zinc/45/38/30/380453830.db2.gz CINSBEXROTWVIW-OLZOCXBDSA-N 2 0 328.482 -0.263 20 0 EBADRP CN(C)C(=O)C1(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CCCC1 ZINC000565358664 380416469 /nfs/dbraw/zinc/41/64/69/380416469.db2.gz HHRXFWGCHJFNIQ-HNNXBMFYSA-N 2 0 326.485 -0.167 20 0 EBADRP CN1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)[C@@H](C[NH3+])C1 ZINC000565482876 380422173 /nfs/dbraw/zinc/42/21/73/380422173.db2.gz SDTQQUMVOZADFL-HNNXBMFYSA-N 2 0 332.452 -0.452 20 0 EBADRP [NH3+]C1(C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC2(CCC2)C1 ZINC000638485997 380484864 /nfs/dbraw/zinc/48/48/64/380484864.db2.gz NPCFLTRXXBGUGB-UHFFFAOYSA-N 2 0 335.452 -0.183 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000340505382 380520126 /nfs/dbraw/zinc/52/01/26/380520126.db2.gz GYZPKZUKYOQMQM-ZIAGYGMSSA-N 2 0 338.452 -0.576 20 0 EBADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)CN2CC[NH2+]CC2)cc1 ZINC000638525689 380498267 /nfs/dbraw/zinc/49/82/67/380498267.db2.gz BDXRRCSICUXUEC-UHFFFAOYSA-N 2 0 333.436 -0.178 20 0 EBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000567385438 380515911 /nfs/dbraw/zinc/51/59/11/380515911.db2.gz COHDATOKPCZBJA-OLZOCXBDSA-N 2 0 328.457 -0.202 20 0 EBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000340352360 380470341 /nfs/dbraw/zinc/47/03/41/380470341.db2.gz UPFGAPISJPDNDH-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000566511016 380477534 /nfs/dbraw/zinc/47/75/34/380477534.db2.gz GPGMTABEDKNQEW-UHFFFAOYSA-N 2 0 348.451 -0.743 20 0 EBADRP [NH3+][C@H](C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000638477482 380481177 /nfs/dbraw/zinc/48/11/77/380481177.db2.gz PFBHSBADUYKXED-HNNXBMFYSA-N 2 0 331.420 -0.144 20 0 EBADRP CCn1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000567634405 380531822 /nfs/dbraw/zinc/53/18/22/380531822.db2.gz QZBAFOZIEHWUSP-UHFFFAOYSA-N 2 0 338.456 -0.529 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC[C@H](O)C[NH+](C)C1CC1 ZINC000567681988 380536219 /nfs/dbraw/zinc/53/62/19/380536219.db2.gz CNKBSIPVIHLERX-JKSUJKDBSA-N 3 0 326.485 -0.026 20 0 EBADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638624985 380543013 /nfs/dbraw/zinc/54/30/13/380543013.db2.gz KVXNXLFPJJISEZ-SJORKVTESA-N 2 0 343.431 -0.094 20 0 EBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000567806197 380544101 /nfs/dbraw/zinc/54/41/01/380544101.db2.gz VNPCBNWDKJTMEC-ZIAGYGMSSA-N 2 0 328.457 -0.345 20 0 EBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000567837755 380548290 /nfs/dbraw/zinc/54/82/90/380548290.db2.gz WUSPCBJEWNNVKF-CHWSQXEVSA-N 2 0 348.451 -0.054 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000567881085 380554654 /nfs/dbraw/zinc/55/46/54/380554654.db2.gz SJSPVVZDQNPHAA-MRXNPFEDSA-N 2 0 348.447 -0.235 20 0 EBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NCCC[NH+](C)CCOC)CC1 ZINC000340579040 380554975 /nfs/dbraw/zinc/55/49/75/380554975.db2.gz RBMBPTNKCRSJHT-UHFFFAOYSA-N 2 0 328.457 -0.375 20 0 EBADRP CC[NH+](C)C[C@H](O)CN1CCN(C[C@H](O)C[N@@H+](C)CC)C[C@@H]1C ZINC000568165369 380579439 /nfs/dbraw/zinc/57/94/39/380579439.db2.gz MDCWJKNAQRFMKS-BBWFWOEESA-N 2 0 330.517 -0.382 20 0 EBADRP COC(=O)C1CC[NH+](CCCNC(=O)CCOC2C[NH2+]C2)CC1 ZINC000569114630 380629861 /nfs/dbraw/zinc/62/98/61/380629861.db2.gz PHJCKTQBBRUUIC-UHFFFAOYSA-N 2 0 327.425 -0.244 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)C1 ZINC000340799891 380635328 /nfs/dbraw/zinc/63/53/28/380635328.db2.gz QIWFFXLLAWYULJ-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000569324100 380639139 /nfs/dbraw/zinc/63/91/39/380639139.db2.gz GPIHMBNMCHSOLW-HNNXBMFYSA-N 3 0 341.500 -0.556 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000572726934 380643105 /nfs/dbraw/zinc/64/31/05/380643105.db2.gz MEBXHIZKXKDCOK-CYBMUJFWSA-N 2 0 349.501 -0.845 20 0 EBADRP COC(=O)CNC(=O)CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371294740 380644085 /nfs/dbraw/zinc/64/40/85/380644085.db2.gz MUXQUGXCUYMCNP-MELADBBJSA-N 2 0 327.425 -0.151 20 0 EBADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@@H](O)CN1CCOCC1 ZINC000371299544 380644116 /nfs/dbraw/zinc/64/41/16/380644116.db2.gz ICDUDYMJZQCQFI-YYIAUSFCSA-N 2 0 327.469 -0.137 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)C[NH+]1CCCC1 ZINC000340769924 380628186 /nfs/dbraw/zinc/62/81/86/380628186.db2.gz MQDWLQZTEBJBFF-HUUCEWRRSA-N 2 0 339.484 -0.804 20 0 EBADRP C[N@@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000341154162 380672545 /nfs/dbraw/zinc/67/25/45/380672545.db2.gz DQOZATOGIIOTEU-KBPBESRZSA-N 2 0 325.457 -0.033 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000341155772 380673058 /nfs/dbraw/zinc/67/30/58/380673058.db2.gz GGGSUQKJAGKPFT-JKSUJKDBSA-N 2 0 341.500 -0.110 20 0 EBADRP O=C(CCOC1C[NH2+]C1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000573916206 380692613 /nfs/dbraw/zinc/69/26/13/380692613.db2.gz LUOPATQENNBQBN-DZGCQCFKSA-N 2 0 338.452 -0.528 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000574278768 380707175 /nfs/dbraw/zinc/70/71/75/380707175.db2.gz DDYCFNBNQLRXJQ-VNQPRFMTSA-N 2 0 340.468 -0.169 20 0 EBADRP CN(CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)S(C)(=O)=O ZINC000342091769 380757799 /nfs/dbraw/zinc/75/77/99/380757799.db2.gz CPMLYAVTFLIRCH-IHRRRGAJSA-N 2 0 346.497 -0.557 20 0 EBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2CCC[NH+]2CCOC)CC1 ZINC000341542215 380716618 /nfs/dbraw/zinc/71/66/18/380716618.db2.gz DWNHJQOSPINURA-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000341647359 380725499 /nfs/dbraw/zinc/72/54/99/380725499.db2.gz VCJRNJGDOZUKAX-KBPBESRZSA-N 2 0 326.441 -0.589 20 0 EBADRP CC[N@H+](CCNC(=O)NCCC(=O)N1CCN(C)CC1)C1CC1 ZINC000171157985 380727176 /nfs/dbraw/zinc/72/71/76/380727176.db2.gz YQMYGVFUVJOUHR-UHFFFAOYSA-N 2 0 325.457 -0.066 20 0 EBADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000575195941 380734392 /nfs/dbraw/zinc/73/43/92/380734392.db2.gz AIZFTDCGONDNEC-KKUMJFAQSA-N 2 0 338.452 -0.450 20 0 EBADRP C[C@@H]1C[N@@H+](C[C@H](O)CNC[C@@H](O)C[NH+]2CCCCC2)C[C@H](C)O1 ZINC000577179412 380807849 /nfs/dbraw/zinc/80/78/49/380807849.db2.gz WFPHWUFGIBDDCR-YYIAUSFCSA-N 2 0 329.485 -0.107 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000577486639 380825197 /nfs/dbraw/zinc/82/51/97/380825197.db2.gz LAHIAOQSIHTSNV-HNNXBMFYSA-N 3 0 341.500 -0.428 20 0 EBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000577600765 380830875 /nfs/dbraw/zinc/83/08/75/380830875.db2.gz DTYSJQQCDKTOLO-XUWVNRHRSA-N 2 0 334.464 -0.003 20 0 EBADRP COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)N2CCN(C)CC2)C1 ZINC000330632271 380833405 /nfs/dbraw/zinc/83/34/05/380833405.db2.gz QOJHIODBNVBKIH-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP COCCN1C[C@@H](C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CC1=O ZINC000638987862 380856038 /nfs/dbraw/zinc/85/60/38/380856038.db2.gz LYOAPQUXPNOLMV-ZDUSSCGKSA-N 2 0 347.419 -0.075 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CCO1 ZINC000578878159 380958570 /nfs/dbraw/zinc/95/85/70/380958570.db2.gz MLNKWUHTEHQIHV-GJZGRUSLSA-N 2 0 338.452 -0.351 20 0 EBADRP Cn1cc(N2CCC[C@H]([NH2+]C[C@H](O)CN3CC[NH+](C)CC3)C2)cn1 ZINC000579222681 380977178 /nfs/dbraw/zinc/97/71/78/380977178.db2.gz DCAZMRQMZAFBEQ-RDJZCZTQSA-N 2 0 336.484 -0.413 20 0 EBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)[C@H](C)C1 ZINC000376776763 380934690 /nfs/dbraw/zinc/93/46/90/380934690.db2.gz JBODDUMZQQLMLW-QKPAOTATSA-N 2 0 340.468 -0.054 20 0 EBADRP C[NH+]1CCC([C@@H]2CCN(C(=O)NCC(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000578609523 380939666 /nfs/dbraw/zinc/93/96/66/380939666.db2.gz BSSJUKAFLYWUGM-OAHLLOKOSA-N 2 0 337.468 -0.209 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000579861785 381021204 /nfs/dbraw/zinc/02/12/04/381021204.db2.gz OPKNPRMWTJYJRV-AWEZNQCLSA-N 2 0 328.457 -0.425 20 0 EBADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000579973714 381028474 /nfs/dbraw/zinc/02/84/74/381028474.db2.gz IJIGIRROCWFPOZ-HZSPNIEDSA-N 2 0 325.457 -0.084 20 0 EBADRP [NH3+]CC(=O)NCC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000582544956 381048160 /nfs/dbraw/zinc/04/81/60/381048160.db2.gz FCSYUQURUBDIJN-UHFFFAOYSA-N 2 0 326.441 -0.588 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000582781282 381070117 /nfs/dbraw/zinc/07/01/17/381070117.db2.gz XLAJBVVJWQYRJN-SJORKVTESA-N 2 0 332.448 -0.010 20 0 EBADRP C[C@@H](NC(=O)COC1CC[NH2+]CC1)C(=O)NCC[NH+]1CCCCC1 ZINC000581487488 381079102 /nfs/dbraw/zinc/07/91/02/381079102.db2.gz QUEZQDAVRRKILJ-CQSZACIVSA-N 2 0 340.468 -0.138 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000347063229 381162525 /nfs/dbraw/zinc/16/25/25/381162525.db2.gz DKSPXTGTZBBMAX-CABCVRRESA-N 2 0 327.473 -0.358 20 0 EBADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000583861995 381170118 /nfs/dbraw/zinc/17/01/18/381170118.db2.gz KDLSFCIMPCEIFE-KFWWJZLASA-N 2 0 338.452 -0.434 20 0 EBADRP CNC(=O)CN1CCC(NC(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000347037789 381169460 /nfs/dbraw/zinc/16/94/60/381169460.db2.gz GSOIJWIOJZHZMR-AWEZNQCLSA-N 2 0 341.456 -0.783 20 0 EBADRP CC(C)C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCO1)C(=O)NCC[NH+](C)C ZINC000418777559 381268604 /nfs/dbraw/zinc/26/86/04/381268604.db2.gz YQDXPZBJKWSKPN-KBPBESRZSA-N 2 0 343.472 -0.634 20 0 EBADRP CC[N@H+](CCO)CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000347440280 381219973 /nfs/dbraw/zinc/21/99/73/381219973.db2.gz ZFZXYAMSFHUEDI-JKSUJKDBSA-N 2 0 342.484 -0.022 20 0 EBADRP COCCCNC(=O)[C@H](C)N1CCN(C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000418494492 381243884 /nfs/dbraw/zinc/24/38/84/381243884.db2.gz SHDTUEVMWZKJEX-KGLIPLIRSA-N 2 0 343.472 -0.550 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000418599873 381249910 /nfs/dbraw/zinc/24/99/10/381249910.db2.gz ITSOVWCMNWENJA-CQSZACIVSA-N 2 0 325.457 -0.066 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C)C(C)C ZINC000347962414 381298545 /nfs/dbraw/zinc/29/85/45/381298545.db2.gz ITFCKNMXWVEOFU-CQSZACIVSA-N 2 0 327.473 -0.805 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000347971206 381301099 /nfs/dbraw/zinc/30/10/99/381301099.db2.gz RKAPFMQHTKSKJS-SOUVJXGZSA-N 2 0 339.484 -0.663 20 0 EBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418793206 381275432 /nfs/dbraw/zinc/27/54/32/381275432.db2.gz PUPUTRPJYRDSNN-HNNXBMFYSA-N 2 0 329.489 -0.110 20 0 EBADRP CC1CC[NH+](C[C@H](O)CNC(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000418802627 381276841 /nfs/dbraw/zinc/27/68/41/381276841.db2.gz YFDDNOFCRNSTIU-HUUCEWRRSA-N 2 0 328.457 -0.243 20 0 EBADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000418849353 381305629 /nfs/dbraw/zinc/30/56/29/381305629.db2.gz MQONPBNPNMPMEQ-BBWFWOEESA-N 2 0 344.459 -0.047 20 0 EBADRP O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000643478770 381328699 /nfs/dbraw/zinc/32/86/99/381328699.db2.gz DSSBXYLZOYUVMA-GOSISDBHSA-N 2 0 343.431 -0.058 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)NCCCCC[NH+]2CCCCC2)CCO1 ZINC000418930148 381340592 /nfs/dbraw/zinc/34/05/92/381340592.db2.gz BGJDTSPPCBFLML-HNNXBMFYSA-N 2 0 340.468 -0.055 20 0 EBADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000418860940 381311213 /nfs/dbraw/zinc/31/12/13/381311213.db2.gz FYOQQMJYDNTTBL-AWEZNQCLSA-N 2 0 342.484 -0.217 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000348019934 381311836 /nfs/dbraw/zinc/31/18/36/381311836.db2.gz QFCQYERTBNKAKZ-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000418863253 381313377 /nfs/dbraw/zinc/31/33/77/381313377.db2.gz BLVWQHCEGRIUAQ-ZNMIVQPWSA-N 2 0 340.468 -0.201 20 0 EBADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000418938167 381344106 /nfs/dbraw/zinc/34/41/06/381344106.db2.gz PKCFFOZTNCDAEB-AWEZNQCLSA-N 2 0 328.457 -0.199 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000418910186 381344640 /nfs/dbraw/zinc/34/46/40/381344640.db2.gz BCQCVFVRWNSWDH-UONOGXRCSA-N 2 0 326.441 -0.672 20 0 EBADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419028070 381357975 /nfs/dbraw/zinc/35/79/75/381357975.db2.gz PULNXKHSQZZYNB-LXTVHRRPSA-N 2 0 340.468 -0.426 20 0 EBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419033200 381358021 /nfs/dbraw/zinc/35/80/21/381358021.db2.gz YDXOKIVXZNWOKA-HZSPNIEDSA-N 2 0 326.441 -0.591 20 0 EBADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000418995463 381359791 /nfs/dbraw/zinc/35/97/91/381359791.db2.gz IYFYPTPDGGFUBZ-HNNXBMFYSA-N 2 0 340.468 -0.199 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000419045743 381364942 /nfs/dbraw/zinc/36/49/42/381364942.db2.gz OBPROGFBULSKFH-KGLIPLIRSA-N 2 0 339.484 -0.757 20 0 EBADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419167599 381390790 /nfs/dbraw/zinc/39/07/90/381390790.db2.gz IZWYSYRFQUDFRG-GJZGRUSLSA-N 2 0 340.468 -0.138 20 0 EBADRP CO[C@@H]1CCN(C(=O)C(=O)NCC[NH+]2CCC(C)CC2)[C@@H](C[NH3+])C1 ZINC000419408883 381429543 /nfs/dbraw/zinc/42/95/43/381429543.db2.gz MIDMNMNPVKPPSA-HUUCEWRRSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000419415590 381430424 /nfs/dbraw/zinc/43/04/24/381430424.db2.gz VHKWAWBUAPVFHA-ZIAGYGMSSA-N 2 0 326.441 -0.589 20 0 EBADRP [NH3+]CCNC(=O)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000419415326 381430670 /nfs/dbraw/zinc/43/06/70/381430670.db2.gz HTZPVQXYWKPOBU-UHFFFAOYSA-N 2 0 347.463 -0.615 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)Cc2ccccc2C1 ZINC000419383312 381434562 /nfs/dbraw/zinc/43/45/62/381434562.db2.gz ZXQVDRVPIQTCQT-HNNXBMFYSA-N 2 0 330.432 -0.239 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419444555 381438991 /nfs/dbraw/zinc/43/89/91/381438991.db2.gz CYSZCFPUHQBEOM-UHFFFAOYSA-N 2 0 328.457 -0.151 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419537419 381450902 /nfs/dbraw/zinc/45/09/02/381450902.db2.gz NNAZDSJVYNFTMG-SOUVJXGZSA-N 2 0 338.452 -0.719 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1CC(=O)NC1=O ZINC000348831713 381418681 /nfs/dbraw/zinc/41/86/81/381418681.db2.gz IILDXRGKLHTMTQ-ZDUSSCGKSA-N 2 0 339.440 -0.587 20 0 EBADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000419700776 381475799 /nfs/dbraw/zinc/47/57/99/381475799.db2.gz SOQVHDABVLVONN-ILXRZTDVSA-N 2 0 340.468 -0.596 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000419724858 381481000 /nfs/dbraw/zinc/48/10/00/381481000.db2.gz HPLDSVLLIPVZTQ-HUUCEWRRSA-N 2 0 340.468 -0.153 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])C1 ZINC000419738987 381483289 /nfs/dbraw/zinc/48/32/89/381483289.db2.gz ZOMAMVAGJNRKQD-HZSPNIEDSA-N 2 0 326.441 -0.448 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000419547205 381453017 /nfs/dbraw/zinc/45/30/17/381453017.db2.gz RFHPSRCYQKDRAC-MGPQQGTHSA-N 2 0 326.441 -0.578 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CCSC1 ZINC000419584966 381460063 /nfs/dbraw/zinc/46/00/63/381460063.db2.gz MVHVSVLLVLFJDO-OAHLLOKOSA-N 2 0 328.482 -0.250 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CCSC1 ZINC000419584965 381460273 /nfs/dbraw/zinc/46/02/73/381460273.db2.gz MVHVSVLLVLFJDO-HNNXBMFYSA-N 2 0 328.482 -0.250 20 0 EBADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)C(C)C ZINC000419660483 381465953 /nfs/dbraw/zinc/46/59/53/381465953.db2.gz CDJJZOASLVMKCB-CQSZACIVSA-N 2 0 328.457 -0.202 20 0 EBADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000419661722 381466813 /nfs/dbraw/zinc/46/68/13/381466813.db2.gz MYHQIYDPTRINFT-HNNXBMFYSA-N 2 0 348.447 -0.155 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)C[NH+]1CCCCC1 ZINC000419896560 381519243 /nfs/dbraw/zinc/51/92/43/381519243.db2.gz XYUMRIOEWWVGBK-HNNXBMFYSA-N 2 0 339.484 -0.754 20 0 EBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000419761470 381487068 /nfs/dbraw/zinc/48/70/68/381487068.db2.gz NEWVSWDUBCPAOR-OAHLLOKOSA-N 2 0 340.468 -0.593 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)N(CC[NH3+])CCO)Cc1ccc(F)cc1 ZINC000419764193 381487310 /nfs/dbraw/zinc/48/73/10/381487310.db2.gz VTCSDRXDTXMCEY-UHFFFAOYSA-N 2 0 340.399 -0.847 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419775538 381489690 /nfs/dbraw/zinc/48/96/90/381489690.db2.gz KTFJJUUZVMFFOG-CQSZACIVSA-N 2 0 328.457 -0.295 20 0 EBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417885228 381492380 /nfs/dbraw/zinc/49/23/80/381492380.db2.gz YAOIXASPUVOWDK-VNHYZAJKSA-N 2 0 337.468 -0.034 20 0 EBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)c1ccccc1 ZINC000419795088 381495054 /nfs/dbraw/zinc/49/50/54/381495054.db2.gz IRUUWCGVAKJAHB-INIZCTEOSA-N 2 0 347.463 -0.573 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000420115572 381542013 /nfs/dbraw/zinc/54/20/13/381542013.db2.gz KJVZZBATMZDNJN-CABCVRRESA-N 2 0 342.484 -0.083 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000420157761 381550192 /nfs/dbraw/zinc/55/01/92/381550192.db2.gz GQOSPAKIJSMQKV-KGLIPLIRSA-N 2 0 340.468 -0.330 20 0 EBADRP CC(C)OCCN1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000419990452 381524041 /nfs/dbraw/zinc/52/40/41/381524041.db2.gz FZWVIISANGNIJB-CQSZACIVSA-N 2 0 328.457 -0.345 20 0 EBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000419999507 381527229 /nfs/dbraw/zinc/52/72/29/381527229.db2.gz SCABVWPUMJICKI-HUUCEWRRSA-N 2 0 339.484 -0.532 20 0 EBADRP CCS(=O)(=O)NCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000420318882 381575090 /nfs/dbraw/zinc/57/50/90/381575090.db2.gz WSMCAWHEIJCNPN-CYBMUJFWSA-N 2 0 334.486 -0.365 20 0 EBADRP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000420204852 381568259 /nfs/dbraw/zinc/56/82/59/381568259.db2.gz DCSIJMDOWWXFGV-LSDHHAIUSA-N 2 0 338.452 -0.432 20 0 EBADRP C[C@H]1CC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1C[NH3+] ZINC000420402256 381584608 /nfs/dbraw/zinc/58/46/08/381584608.db2.gz JXVQWJQTEOFMHF-NWDGAFQWSA-N 2 0 334.424 -0.650 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351519178 381635833 /nfs/dbraw/zinc/63/58/33/381635833.db2.gz NTOOEJODRWXHES-CQSZACIVSA-N 2 0 326.441 -0.528 20 0 EBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000351526459 381637565 /nfs/dbraw/zinc/63/75/65/381637565.db2.gz WYKIUHOIBKCUJE-CABCVRRESA-N 2 0 338.452 -0.575 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CCO1 ZINC000332368115 381785302 /nfs/dbraw/zinc/78/53/02/381785302.db2.gz XXEMWKFXNSZZIN-KFWWJZLASA-N 2 0 338.452 -0.672 20 0 EBADRP CN1CC[NH+](CC2(C)CC[NH+](CCN3C(=O)CNC3=O)CC2)CC1 ZINC000332323814 381778025 /nfs/dbraw/zinc/77/80/25/381778025.db2.gz WTZCEDJXZZYYGR-UHFFFAOYSA-N 2 0 337.468 -0.112 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CCO1 ZINC000643492788 381821404 /nfs/dbraw/zinc/82/14/04/381821404.db2.gz FZRGHYXAKPSEAL-RRFJBIMHSA-N 2 0 338.452 -0.352 20 0 EBADRP CCn1nccc1CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000612823609 381868521 /nfs/dbraw/zinc/86/85/21/381868521.db2.gz IPEPNQGSVIGEPA-UHFFFAOYSA-N 2 0 338.456 -0.529 20 0 EBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CCO1 ZINC000643500657 381908668 /nfs/dbraw/zinc/90/86/68/381908668.db2.gz SBJRCLFVOGKOEO-ZIAGYGMSSA-N 2 0 340.468 -0.106 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000643509655 381928437 /nfs/dbraw/zinc/92/84/37/381928437.db2.gz FGURADFZRWGPFA-INIZCTEOSA-N 3 0 327.473 -0.865 20 0 EBADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627469453 381959869 /nfs/dbraw/zinc/95/98/69/381959869.db2.gz VBYWUPVQVQXHCZ-OAHLLOKOSA-N 2 0 342.484 -0.083 20 0 EBADRP COC(=O)CN(C)C(=O)CC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000352767917 382027990 /nfs/dbraw/zinc/02/79/90/382027990.db2.gz DGHWEABZCRCEOY-UHFFFAOYSA-N 2 0 328.457 -0.423 20 0 EBADRP C[NH+](C)CCOCCNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000418074005 382118348 /nfs/dbraw/zinc/11/83/48/382118348.db2.gz XFXGHQQIZDMEAP-AWEZNQCLSA-N 2 0 343.472 -0.406 20 0 EBADRP CO[C@H](C[NH3+])C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000353506929 382152238 /nfs/dbraw/zinc/15/22/38/382152238.db2.gz FFBQCEMHNSOIKZ-CYBMUJFWSA-N 2 0 328.457 -0.297 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(C)C(C)(C)C(N)=O)C1 ZINC000451140575 382220568 /nfs/dbraw/zinc/22/05/68/382220568.db2.gz RVWFQDIWGSLXDG-ZDUSSCGKSA-N 2 0 328.457 -0.345 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000343880907 285054552 /nfs/dbraw/zinc/05/45/52/285054552.db2.gz CAECFYIYKIYPHG-KGLIPLIRSA-N 2 0 326.441 -0.624 20 0 EBADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000331751420 155393657 /nfs/dbraw/zinc/39/36/57/155393657.db2.gz AGAZJFLOPNFBFU-SOUVJXGZSA-N 2 0 337.468 -0.033 20 0 EBADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000187979575 154149141 /nfs/dbraw/zinc/14/91/41/154149141.db2.gz JINWFLARMGVYLX-LSDHHAIUSA-N 2 0 333.436 -0.174 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000237171445 154171842 /nfs/dbraw/zinc/17/18/42/154171842.db2.gz HRSBXKKULWTIGW-CQSZACIVSA-N 2 0 348.451 -0.111 20 0 EBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C[C@@H](C)O1 ZINC000261735752 154200209 /nfs/dbraw/zinc/20/02/09/154200209.db2.gz NLAHRXGCZYRXRA-MCIONIFRSA-N 2 0 326.441 -0.591 20 0 EBADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)CNC(=O)C[NH3+])c1 ZINC000262443500 154231498 /nfs/dbraw/zinc/23/14/98/154231498.db2.gz UWZZRENJRXWPMF-UHFFFAOYSA-N 2 0 349.435 -0.228 20 0 EBADRP CC[C@H]1CN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC[N@@H+]1C[C@H](C)O ZINC000263232208 154256393 /nfs/dbraw/zinc/25/63/93/154256393.db2.gz IMEJGYURTAHPAN-YDHLFZDLSA-N 2 0 328.457 -0.611 20 0 EBADRP COC[C@@](C)(CNC(=O)/C=C/C[NH+](C)C)NC(=O)/C=C/C[NH+](C)C ZINC000265664507 154324572 /nfs/dbraw/zinc/32/45/72/154324572.db2.gz FOMFBCOIIASFIM-XZGPXKHZSA-N 2 0 340.468 -0.141 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)CC[NH+](C)C)CC2)c1 ZINC000297980239 155096694 /nfs/dbraw/zinc/09/66/94/155096694.db2.gz HCYCYXDFPMZLJW-UHFFFAOYSA-N 2 0 349.435 -0.241 20 0 EBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1COC(=O)N1 ZINC000294725867 155063672 /nfs/dbraw/zinc/06/36/72/155063672.db2.gz ZZMFGUACGDFKDX-CQSZACIVSA-N 2 0 333.392 -0.182 20 0 EBADRP C[NH+](C)C1CN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000342129586 156009384 /nfs/dbraw/zinc/00/93/84/156009384.db2.gz NRTNQNFXFBABLJ-OAHLLOKOSA-N 2 0 338.452 -0.528 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000343022484 156088150 /nfs/dbraw/zinc/08/81/50/156088150.db2.gz HMSCOHORBWZJJP-UHFFFAOYSA-N 2 0 326.441 -0.576 20 0 EBADRP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000343097773 156097176 /nfs/dbraw/zinc/09/71/76/156097176.db2.gz OLJCMAOESMEAFW-HNNXBMFYSA-N 2 0 340.468 -0.593 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH+](C)[C@H]2C)C1 ZINC000343883653 156176926 /nfs/dbraw/zinc/17/69/26/156176926.db2.gz FVJLRTCQIZFDQK-IHRRRGAJSA-N 2 0 326.441 -0.578 20 0 EBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000343883638 156178543 /nfs/dbraw/zinc/17/85/43/156178543.db2.gz FRHXTBISXHFUEX-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C)CC[C@H]2C)C1 ZINC000343887848 156178628 /nfs/dbraw/zinc/17/86/28/156178628.db2.gz KEASMFWOBHEFCX-ZIAGYGMSSA-N 2 0 326.441 -0.624 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000343882674 156178649 /nfs/dbraw/zinc/17/86/49/156178649.db2.gz FGMXTKSAHFHJNP-HNNXBMFYSA-N 2 0 340.468 -0.377 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CC[NH+]2CCCC2)C1 ZINC000343892263 156179847 /nfs/dbraw/zinc/17/98/47/156179847.db2.gz OYNJRWCPJDZRGT-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000343897754 156180932 /nfs/dbraw/zinc/18/09/32/156180932.db2.gz YUEVKKIHIRLJAG-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000343895502 156181153 /nfs/dbraw/zinc/18/11/53/156181153.db2.gz UQODFYKECIJTRQ-SOUVJXGZSA-N 2 0 340.468 -0.378 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)C1 ZINC000343898675 156184646 /nfs/dbraw/zinc/18/46/46/156184646.db2.gz ZWUFHMBMZHPZQX-KCQAQPDRSA-N 2 0 338.452 -0.578 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)C2=CC[NH+](C)CC2)C1 ZINC000343898668 156185148 /nfs/dbraw/zinc/18/51/48/156185148.db2.gz ZVYPDGNCQWJQPW-UKRRQHHQSA-N 2 0 338.452 -0.410 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000343912530 156186690 /nfs/dbraw/zinc/18/66/90/156186690.db2.gz NJUXPOXKCBOMKX-MJBXVCDLSA-N 2 0 326.441 -0.578 20 0 EBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCN(CC[NH+](C)C)CC2)CC1=O ZINC000344419173 156224154 /nfs/dbraw/zinc/22/41/54/156224154.db2.gz NKSPNLXIZYMVNF-OAHLLOKOSA-N 2 0 339.484 -0.898 20 0 EBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000344629606 156250307 /nfs/dbraw/zinc/25/03/07/156250307.db2.gz LFEQUWDTIKURRB-CQSZACIVSA-N 2 0 342.484 -0.347 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000356442892 157066846 /nfs/dbraw/zinc/06/68/46/157066846.db2.gz CNINUEKPWTTZKJ-OAHLLOKOSA-N 2 0 342.484 -0.083 20 0 EBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000357931893 157189460 /nfs/dbraw/zinc/18/94/60/157189460.db2.gz XCKFZHASPZNZCO-KGLIPLIRSA-N 2 0 340.468 -0.548 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCO[C@@H](C[NH3+])C2)CC1=O ZINC000358496548 157247953 /nfs/dbraw/zinc/24/79/53/157247953.db2.gz LQCDQVWWENHIJH-KFWWJZLASA-N 2 0 338.452 -0.495 20 0 EBADRP Cn1c2ncn(CC[N@@H+]3CCC4(C3)CC[NH2+]CC4)c2c(=O)n(C)c1=O ZINC000358512924 157252167 /nfs/dbraw/zinc/25/21/67/157252167.db2.gz USVYUFSFPBYOCB-UHFFFAOYSA-N 2 0 346.435 -0.491 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000358564741 157260519 /nfs/dbraw/zinc/26/05/19/157260519.db2.gz SSYVJDNYWHYALU-CHWSQXEVSA-N 2 0 326.441 -0.578 20 0 EBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCC[N@H+](C)CCOC)C1 ZINC000358577447 157262846 /nfs/dbraw/zinc/26/28/46/157262846.db2.gz XHQNJODWMVHHTM-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCCN1CCSCC1 ZINC000359255570 157306675 /nfs/dbraw/zinc/30/66/75/157306675.db2.gz WGOQCUTZYBCDQB-CYBMUJFWSA-N 2 0 330.498 -0.002 20 0 EBADRP C[NH+](C)CCN1C[C@H](C(=O)Nc2ccnn2CC[NH+](C)C)CC1=O ZINC000359491802 157327538 /nfs/dbraw/zinc/32/75/38/157327538.db2.gz OFEGVLPTJONKJW-CYBMUJFWSA-N 2 0 336.440 -0.207 20 0 EBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1=O ZINC000360339852 157375115 /nfs/dbraw/zinc/37/51/15/157375115.db2.gz VWURVGVTUIDOMF-XJKSGUPXSA-N 2 0 342.509 -0.050 20 0 EBADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000410469208 419031116 /nfs/dbraw/zinc/03/11/16/419031116.db2.gz CBZHFRSHMNJSGZ-KBPBESRZSA-N 2 0 326.441 -0.672 20 0 EBADRP C[NH+](C)CC[C@@H](N)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000653125062 418991832 /nfs/dbraw/zinc/99/18/32/418991832.db2.gz ROYDTCBDURLAJQ-QGZVFWFLSA-N 3 0 348.495 -0.011 20 0 EBADRP CN1CC[NH+](CC2CCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)CC1 ZINC000653148765 418995237 /nfs/dbraw/zinc/99/52/37/418995237.db2.gz KTYVQWWNHOOGOQ-WMZOPIPTSA-N 2 0 336.480 -0.292 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650909339 419089326 /nfs/dbraw/zinc/08/93/26/419089326.db2.gz STGJDUWBBQXHGP-AWEZNQCLSA-N 2 0 325.457 -0.114 20 0 EBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000644124063 419104064 /nfs/dbraw/zinc/10/40/64/419104064.db2.gz OJABCXXLPUCGRP-ZIAGYGMSSA-N 2 0 326.441 -0.399 20 0 EBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000647597836 419121946 /nfs/dbraw/zinc/12/19/46/419121946.db2.gz SSXDAJDBTUSTHH-RBSFLKMASA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CN1CCCC[C@@H]([NH3+])C1=O ZINC000643775858 419053827 /nfs/dbraw/zinc/05/38/27/419053827.db2.gz DLMOKDJIJJFDMY-LSDHHAIUSA-N 2 0 340.468 -0.105 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)cn1 ZINC000655448917 419054782 /nfs/dbraw/zinc/05/47/82/419054782.db2.gz ABMPNXOVVXNTDW-WMLDXEAASA-N 2 0 348.451 -0.111 20 0 EBADRP C[C@H](NC(=O)C(=O)NCCC1CC[NH2+]CC1)[C@H](C)N1CCOCC1 ZINC000652690730 419062753 /nfs/dbraw/zinc/06/27/53/419062753.db2.gz NBWPGFJZKUEHCF-KBPBESRZSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@@H](NC(=O)C(=O)N1CCC(CC[NH3+])CC1)[C@H](C)N1CCOCC1 ZINC000652690755 419063044 /nfs/dbraw/zinc/06/30/44/419063044.db2.gz NHWDYKSACFVCMY-KGLIPLIRSA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000644529412 419169602 /nfs/dbraw/zinc/16/96/02/419169602.db2.gz IGPCPVDQMUIKNS-DOTOQJQBSA-N 2 0 332.448 -0.010 20 0 EBADRP C[NH+](C)CCN1CCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1=O ZINC000651117544 419177491 /nfs/dbraw/zinc/17/74/91/419177491.db2.gz LLBPJDPCJQEFAZ-UHFFFAOYSA-N 2 0 341.456 -0.876 20 0 EBADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000661945635 419249503 /nfs/dbraw/zinc/24/95/03/419249503.db2.gz FHYYCANHYFOZFJ-CQSZACIVSA-N 2 0 325.457 -0.114 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000652677091 419249575 /nfs/dbraw/zinc/24/95/75/419249575.db2.gz PCIMAYGRQIUDCG-ZDUSSCGKSA-N 2 0 328.457 -0.330 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)[C@H](C)CC)C[C@H]1C[NH3+] ZINC000652683907 419253176 /nfs/dbraw/zinc/25/31/76/419253176.db2.gz AOLLLJVWWUXDPH-MGPQQGTHSA-N 2 0 328.457 -0.345 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C[NH3+] ZINC000652686900 419256442 /nfs/dbraw/zinc/25/64/42/419256442.db2.gz QDSBAVSQNIMCID-QLFBSQMISA-N 2 0 340.468 -0.201 20 0 EBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000651855503 419225009 /nfs/dbraw/zinc/22/50/09/419225009.db2.gz ALKQZLLVBSBKRZ-AWEZNQCLSA-N 2 0 336.440 -0.064 20 0 EBADRP COCCN1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000411033870 419287317 /nfs/dbraw/zinc/28/73/17/419287317.db2.gz WTCQRFBZIPHJTA-HNNXBMFYSA-N 2 0 340.468 -0.282 20 0 EBADRP CS(=O)(=O)N1CCN(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647786133 419294575 /nfs/dbraw/zinc/29/45/75/419294575.db2.gz IUDXMABPEJATTR-SOUVJXGZSA-N 2 0 330.498 -0.459 20 0 EBADRP O=C1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CN1CCN1CCOCC1 ZINC000647790232 419298210 /nfs/dbraw/zinc/29/82/10/419298210.db2.gz UXVUHGLWGVKCOY-NXOAAHMSSA-N 2 0 336.480 -0.103 20 0 EBADRP COC(=O)[C@@H]1CN(C(=O)NCCOCC[NH+](C)C)CC[N@H+](C)C1 ZINC000413476102 419306826 /nfs/dbraw/zinc/30/68/26/419306826.db2.gz LSQYKONNTRKHBG-ZDUSSCGKSA-N 2 0 330.429 -0.689 20 0 EBADRP CS(=O)(=O)CCCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000647825627 419309331 /nfs/dbraw/zinc/30/93/31/419309331.db2.gz XTHLMBQYRAWEOS-AWEZNQCLSA-N 2 0 331.482 -0.045 20 0 EBADRP COC(=O)[C@@]1(C)CCC[N@@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000414102862 419314069 /nfs/dbraw/zinc/31/40/69/419314069.db2.gz DELMJFHKKLNHHN-LRDDRELGSA-N 2 0 325.409 -0.049 20 0 EBADRP C[NH+](C)CCN1CCN(C(=O)c2ccc(C[NH+](C)C)nc2)CC1=O ZINC000652734706 419345607 /nfs/dbraw/zinc/34/56/07/419345607.db2.gz TYJFHCATVVUTFA-UHFFFAOYSA-N 2 0 333.436 -0.011 20 0 EBADRP C[C@@H]1COCCN1CCNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415958434 419418765 /nfs/dbraw/zinc/41/87/65/419418765.db2.gz XBVMCSJDQZSFJO-CYBMUJFWSA-N 2 0 349.439 -0.272 20 0 EBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000653396630 419370598 /nfs/dbraw/zinc/37/05/98/419370598.db2.gz CPNWVDCSGRBNLX-OAHLLOKOSA-N 2 0 341.500 -0.558 20 0 EBADRP [NH3+][C@@H]1C[C@@H]2CN(CCCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000519426291 419529062 /nfs/dbraw/zinc/52/90/62/419529062.db2.gz HVOQQKNKDQQSCV-IUODEOHRSA-N 2 0 342.399 -0.084 20 0 EBADRP C[C@H](NC(=O)C(=O)N(C)CC[NH+]1CCCCC1)[C@H]1CN(C)CCO1 ZINC000653427926 419556972 /nfs/dbraw/zinc/55/69/72/419556972.db2.gz VOTPSRNJJDGVPQ-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000520403094 419562704 /nfs/dbraw/zinc/56/27/04/419562704.db2.gz HJPZDUPTSHTIRZ-HNNXBMFYSA-N 2 0 339.484 -0.659 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CCO1 ZINC000332192216 419582036 /nfs/dbraw/zinc/58/20/36/419582036.db2.gz QSCUVMXXKQKKAC-XGUBFFRZSA-N 2 0 338.452 -0.639 20 0 EBADRP C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1CCCO)[C@H]1CN(C)CCO1 ZINC000655709774 419624258 /nfs/dbraw/zinc/62/42/58/419624258.db2.gz JZJGSZJUCYDFPR-RRFJBIMHSA-N 2 0 328.457 -0.149 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000659690411 419702466 /nfs/dbraw/zinc/70/24/66/419702466.db2.gz UJSSNTDLTWEVHC-UHFFFAOYSA-N 2 0 327.473 -0.676 20 0 EBADRP CC1(OCC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C[NH2+]C1 ZINC000648105584 419642285 /nfs/dbraw/zinc/64/22/85/419642285.db2.gz LLGIHRFRHHMMCE-KBPBESRZSA-N 2 0 338.452 -0.528 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cn1 ZINC000645625045 419774177 /nfs/dbraw/zinc/77/41/77/419774177.db2.gz VGOAVBJEMUWKLU-JSGCOSHPSA-N 2 0 334.424 -0.454 20 0 EBADRP CC[NH2+]CCNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000419880151 419813092 /nfs/dbraw/zinc/81/30/92/419813092.db2.gz UHFWHDYAPQOAGG-CQSZACIVSA-N 2 0 339.484 -0.661 20 0 EBADRP C[NH2+]CCNC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000419899746 419813534 /nfs/dbraw/zinc/81/35/34/419813534.db2.gz RMHASZXOJLQQDC-GASCZTMLSA-N 2 0 339.484 -0.661 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419921958 419820313 /nfs/dbraw/zinc/82/03/13/419820313.db2.gz YSEHKCZDIAKTCB-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000419942710 419824169 /nfs/dbraw/zinc/82/41/69/419824169.db2.gz GLZIVMRPGCFQPK-ZDUSSCGKSA-N 2 0 349.435 -0.290 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419949030 419829697 /nfs/dbraw/zinc/82/96/97/419829697.db2.gz KSMNYAOTTMYVJJ-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000420016064 419831449 /nfs/dbraw/zinc/83/14/49/419831449.db2.gz RRIBFJRNMTUREJ-KFWWJZLASA-N 2 0 339.484 -0.533 20 0 EBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659732039 419797759 /nfs/dbraw/zinc/79/77/59/419797759.db2.gz DLIDBYCFMAEYCU-UHFFFAOYSA-N 2 0 340.468 -0.057 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423265062 419929396 /nfs/dbraw/zinc/92/93/96/419929396.db2.gz QPYPMHWHSAWHDO-KGLIPLIRSA-N 2 0 326.441 -0.767 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000423262229 419924997 /nfs/dbraw/zinc/92/49/97/419924997.db2.gz MBDOEAGDCBLNPS-UONOGXRCSA-N 2 0 328.457 -0.391 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423219707 419925017 /nfs/dbraw/zinc/92/50/17/419925017.db2.gz XDEQBDYUXVILNR-ZNMIVQPWSA-N 2 0 338.452 -0.767 20 0 EBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000645959184 420529790 /nfs/dbraw/zinc/52/97/90/420529790.db2.gz FAEPIFVSIOSDGM-KBPBESRZSA-N 2 0 326.441 -0.936 20 0 EBADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CC12CC[NH2+]CC2 ZINC000646009625 420534270 /nfs/dbraw/zinc/53/42/70/420534270.db2.gz XTGSCLDKWKHBJT-JKSUJKDBSA-N 2 0 336.480 -0.101 20 0 EBADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1(C)C ZINC000646667625 420682924 /nfs/dbraw/zinc/68/29/24/420682924.db2.gz YKJYSUSOVUYPNT-AHIWAGSCSA-N 2 0 340.468 -0.168 20 0 EBADRP CCS(=O)(=O)NCCC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000178931480 420689966 /nfs/dbraw/zinc/68/99/66/420689966.db2.gz YECHDDBXFBLNKE-UHFFFAOYSA-N 2 0 348.513 -0.294 20 0 EBADRP COC(=O)CC1CC[NH+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000516753667 420692190 /nfs/dbraw/zinc/69/21/90/420692190.db2.gz WIOZBASCPLADRO-CYBMUJFWSA-N 2 0 325.409 -0.049 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)NC2(C[NH3+])CCOCC2)CC1 ZINC000529291708 420759911 /nfs/dbraw/zinc/75/99/11/420759911.db2.gz ZWLGAABWWVWNLB-UHFFFAOYSA-N 2 0 327.473 -0.181 20 0 EBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529340921 420763811 /nfs/dbraw/zinc/76/38/11/420763811.db2.gz IZDDFSKKEPYTEG-CVEARBPZSA-N 2 0 339.484 -0.310 20 0 EBADRP O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)NC[C@@H]1COCC[NH2+]1 ZINC000529379498 420764393 /nfs/dbraw/zinc/76/43/93/420764393.db2.gz XPNNQRXHUXICSQ-BRWVUGGUSA-N 2 0 348.447 -0.091 20 0 EBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529384578 420764736 /nfs/dbraw/zinc/76/47/36/420764736.db2.gz YVYPRPHGKOMAKJ-HOTGVXAUSA-N 2 0 339.484 -0.214 20 0 EBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NC[C@H]3COCC[NH2+]3)CC2)C1 ZINC000529381206 420765709 /nfs/dbraw/zinc/76/57/09/420765709.db2.gz QNOJSXZYOOCVRM-LSDHHAIUSA-N 2 0 325.457 -0.604 20 0 EBADRP O=C(NC[C@H]1COCC[NH2+]1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000529386373 420766002 /nfs/dbraw/zinc/76/60/02/420766002.db2.gz KXQHAEVYSCXMFD-CABCVRRESA-N 2 0 326.441 -0.271 20 0 EBADRP CC[NH+]1CCN(CC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)CC1 ZINC000649074806 420786076 /nfs/dbraw/zinc/78/60/76/420786076.db2.gz PWZYZMRUHRTFJL-CQSZACIVSA-N 2 0 325.457 -0.798 20 0 EBADRP C[NH+](C)CCN1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1=O ZINC000654664834 420834598 /nfs/dbraw/zinc/83/45/98/420834598.db2.gz XVIWCMDBVQROJD-OKILXGFUSA-N 2 0 325.457 -0.258 20 0 EBADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000655956369 420860437 /nfs/dbraw/zinc/86/04/37/420860437.db2.gz XGLZEVIDHXDLBB-LSDHHAIUSA-N 2 0 332.404 -0.378 20 0 EBADRP COCC1(CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC[NH2+]CC1 ZINC000655967469 420860959 /nfs/dbraw/zinc/86/09/59/420860959.db2.gz WMYUQDJWSKSZQO-UONOGXRCSA-N 2 0 326.441 -0.537 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000656039728 420869127 /nfs/dbraw/zinc/86/91/27/420869127.db2.gz DVURZUCNBLZSCQ-SBJFKYEJSA-N 2 0 340.468 -0.204 20 0 EBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000656103160 420880686 /nfs/dbraw/zinc/88/06/86/420880686.db2.gz WRXNTZDCGVOCJI-UONOGXRCSA-N 2 0 340.468 -0.106 20 0 EBADRP C[C@@H](NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C1CC[NH+](C)CC1 ZINC000656307726 420887729 /nfs/dbraw/zinc/88/77/29/420887729.db2.gz RQHHPJKASPWZAY-VHDGCEQUSA-N 2 0 338.452 -0.890 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000659099071 420990300 /nfs/dbraw/zinc/99/03/00/420990300.db2.gz PQRNSGMJEFONHG-UHFFFAOYSA-N 2 0 349.435 -0.438 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659438427 421000211 /nfs/dbraw/zinc/00/02/11/421000211.db2.gz WXEOOSCKUQPLGQ-UHFFFAOYSA-N 2 0 326.401 -0.592 20 0 EBADRP O=C(NCCCN1CC[NH2+]CC1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659506820 421001344 /nfs/dbraw/zinc/00/13/44/421001344.db2.gz WRDOIKJRANUBFB-MRXNPFEDSA-N 2 0 339.484 -0.166 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000659496232 421001413 /nfs/dbraw/zinc/00/14/13/421001413.db2.gz RZEARRVFVUCCFT-FUDCBSFHSA-N 2 0 325.457 -0.023 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000659690410 421015406 /nfs/dbraw/zinc/01/54/06/421015406.db2.gz UIECVJHLOABJBY-ZIAGYGMSSA-N 2 0 343.447 -0.974 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC[C@H]1F ZINC000659699029 421016934 /nfs/dbraw/zinc/01/69/34/421016934.db2.gz OAODSXJBQAKIKT-CHWSQXEVSA-N 2 0 330.404 -0.887 20 0 EBADRP C[NH2+]CCNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659711840 421018887 /nfs/dbraw/zinc/01/88/87/421018887.db2.gz BGLNGNKCPPSDFM-MRXNPFEDSA-N 2 0 347.463 -0.746 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000659718877 421021886 /nfs/dbraw/zinc/02/18/86/421021886.db2.gz RHMQUTDIVUVZIG-ZIAGYGMSSA-N 2 0 328.457 -0.345 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659725350 421022672 /nfs/dbraw/zinc/02/26/72/421022672.db2.gz ZSAYKFMLJDXINN-SNPRPXQTSA-N 2 0 338.452 -0.530 20 0 EBADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659724432 421022931 /nfs/dbraw/zinc/02/29/31/421022931.db2.gz VYONYLPNIVFNCE-LSDHHAIUSA-N 2 0 340.468 -0.010 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000659724883 421023154 /nfs/dbraw/zinc/02/31/54/421023154.db2.gz RJHWWTPHFNOSMS-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659756530 421029287 /nfs/dbraw/zinc/02/92/87/421029287.db2.gz RXHKVRFFOZKJIX-HIFRSBDPSA-N 2 0 339.484 -0.663 20 0 EBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000662403872 421087634 /nfs/dbraw/zinc/08/76/34/421087634.db2.gz ZJAICKJPZDVFEO-OLZOCXBDSA-N 2 0 326.422 -0.011 20 0 EBADRP CC(C)([NH3+])c1cc(C(=O)N2CCC[C@H](N3CCNCC3=O)C2)on1 ZINC000662765600 421100000 /nfs/dbraw/zinc/10/00/00/421100000.db2.gz BFYFMAYEWYIBFM-NSHDSACASA-N 2 0 335.408 -0.095 20 0 EBADRP C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCO[C@@H]3C[NH3+])cn2)CC1 ZINC000662756622 421100147 /nfs/dbraw/zinc/10/01/47/421100147.db2.gz JDSMPPRODZJZNC-LSDHHAIUSA-N 2 0 333.436 -0.187 20 0 EBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000662833577 421104636 /nfs/dbraw/zinc/10/46/36/421104636.db2.gz SJUKXXYHMBCADV-GJZGRUSLSA-N 2 0 338.452 -0.432 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000662833676 421104722 /nfs/dbraw/zinc/10/47/22/421104722.db2.gz UXHPCYOXZUOCMS-HOCLYGCPSA-N 2 0 340.468 -0.201 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC[C@H]1F ZINC000662930952 421110923 /nfs/dbraw/zinc/11/09/23/421110923.db2.gz ZQPOYWASNKYCLG-MGPQQGTHSA-N 2 0 326.416 -0.029 20 0 EBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662933271 421113081 /nfs/dbraw/zinc/11/30/81/421113081.db2.gz PRMUOBHEMJHLRV-UHFFFAOYSA-N 2 0 327.473 -0.722 20 0 EBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662940165 421113535 /nfs/dbraw/zinc/11/35/35/421113535.db2.gz YIIVLDZBMZPFMQ-ZDUSSCGKSA-N 2 0 340.468 -0.106 20 0 EBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662947401 421115438 /nfs/dbraw/zinc/11/54/38/421115438.db2.gz OBMGBCQQLMUNGC-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C[C@H](C)[NH2+]1 ZINC000662953955 421117669 /nfs/dbraw/zinc/11/76/69/421117669.db2.gz RSQJCCRDJWYKSA-QLFBSQMISA-N 2 0 340.468 -0.236 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)n1 ZINC000626901045 421192988 /nfs/dbraw/zinc/19/29/88/421192988.db2.gz KBOBENUFEZXNDN-CALCHBBNSA-N 2 0 348.451 -0.159 20 0 EBADRP C[NH+]1CCC(n2ccc(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)n2)CC1 ZINC000580147178 421203909 /nfs/dbraw/zinc/20/39/09/421203909.db2.gz HAMPFAJCQBNNAP-HNNXBMFYSA-N 2 0 332.452 0.478 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCNC1=O ZINC000665337641 421209906 /nfs/dbraw/zinc/20/99/06/421209906.db2.gz QGZHRJVLHNJRGH-KBPBESRZSA-N 2 0 325.457 -0.068 20 0 EBADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)[C@H]1c1ccccc1 ZINC000418912948 264839098 /nfs/dbraw/zinc/83/90/98/264839098.db2.gz SAKWBBOKCDMKPP-OWCLPIDISA-N 2 0 346.431 -0.347 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)N(CC[NH3+])CCO)CCCCCC1 ZINC000418907832 264839752 /nfs/dbraw/zinc/83/97/52/264839752.db2.gz YIWUBOUYTZRVNP-UHFFFAOYSA-N 2 0 328.457 -0.463 20 0 EBADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)([NH+](C)C)C1 ZINC000418926770 264842676 /nfs/dbraw/zinc/84/26/76/264842676.db2.gz UICRMPFIBSJJLR-CPUCHLNUSA-N 2 0 340.468 -0.201 20 0 EBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000419785606 264889175 /nfs/dbraw/zinc/88/91/75/264889175.db2.gz SPJUOOXVLMJTNP-RDBSUJKOSA-N 2 0 328.457 -0.202 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000420048999 264917091 /nfs/dbraw/zinc/91/70/91/264917091.db2.gz XXLKQDYTWWKVGG-OLZOCXBDSA-N 2 0 344.456 -0.748 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423388577 265002805 /nfs/dbraw/zinc/00/28/05/265002805.db2.gz UEOXVCXTNHNDHO-UHFFFAOYSA-N 2 0 333.392 -0.829 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[NH2+]CC3)CC2)c1 ZINC000423602610 265018277 /nfs/dbraw/zinc/01/82/77/265018277.db2.gz DILFDZIEBQEQMR-UHFFFAOYSA-N 2 0 347.419 -0.439 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000423649566 265026804 /nfs/dbraw/zinc/02/68/04/265026804.db2.gz PQRWOWULTSHLOS-CYBMUJFWSA-N 2 0 347.419 -0.312 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)C[C@H]2[NH3+])cn1 ZINC000424230264 265051747 /nfs/dbraw/zinc/05/17/47/265051747.db2.gz ZSPXBBHRKIAVGX-AEGPPILISA-N 2 0 348.451 -0.917 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424550389 265076055 /nfs/dbraw/zinc/07/60/55/265076055.db2.gz NJKXLALXCQHHGX-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCCNC(=O)[C@H]1CC[C@H](C(=O)NCCC[NH+](C)C)O1 ZINC000426580465 265097390 /nfs/dbraw/zinc/09/73/90/265097390.db2.gz RASFHHLBKRCGTR-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP Cn1cc(N2CCC[C@H]([N@@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)C2=O)cn1 ZINC000430616117 265150456 /nfs/dbraw/zinc/15/04/56/265150456.db2.gz DRYSAQTZTXULAJ-ZFWWWQNUSA-N 2 0 348.451 -0.298 20 0 EBADRP Cn1cc(N2CCC[C@@H]([N@@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)C2=O)cn1 ZINC000430616114 265150504 /nfs/dbraw/zinc/15/05/04/265150504.db2.gz DRYSAQTZTXULAJ-DZGCQCFKSA-N 2 0 348.451 -0.298 20 0 EBADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCC[C@H](C[NH3+])C1)c(=O)n2C ZINC000430618379 265150820 /nfs/dbraw/zinc/15/08/20/265150820.db2.gz TVPZBUPKSCRRJA-GFCCVEGCSA-N 2 0 334.424 -0.506 20 0 EBADRP C[C@H]([NH3+])C1CC[NH+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000430936237 265157188 /nfs/dbraw/zinc/15/71/88/265157188.db2.gz TUFMJQZGTRNUBQ-LBPRGKRZSA-N 2 0 348.451 -0.117 20 0 EBADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000430956337 265159217 /nfs/dbraw/zinc/15/92/17/265159217.db2.gz OGPDTRPIWAHZRA-CQSZACIVSA-N 2 0 339.484 -0.722 20 0 EBADRP CCCNC(=O)C1CC[NH+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000520778884 265649945 /nfs/dbraw/zinc/64/99/45/265649945.db2.gz HAYJIFYIMUJAIM-AWEZNQCLSA-N 2 0 338.452 -0.086 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000419892131 272816560 /nfs/dbraw/zinc/81/65/60/272816560.db2.gz NXMZHQSQGBOBCF-MGPQQGTHSA-N 2 0 326.441 -0.530 20 0 EBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000419975861 272816737 /nfs/dbraw/zinc/81/67/37/272816737.db2.gz LGWPLLMYVJRKDX-ZDUSSCGKSA-N 2 0 349.435 -0.290 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000420155685 272822389 /nfs/dbraw/zinc/82/23/89/272822389.db2.gz LGRRKJFVADAMTB-RDBSUJKOSA-N 2 0 328.457 -0.284 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000518783898 272891661 /nfs/dbraw/zinc/89/16/61/272891661.db2.gz FTUCTOKEVVJSOV-UHFFFAOYSA-N 2 0 328.457 -0.377 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C)CC[C@H]1C ZINC000341524631 274027139 /nfs/dbraw/zinc/02/71/39/274027139.db2.gz AVIBZFFYYKVHNH-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000347968621 276113982 /nfs/dbraw/zinc/11/39/82/276113982.db2.gz ODRAXMQUZXHTIT-CABCVRRESA-N 2 0 339.484 -0.709 20 0 EBADRP CO[C@@H](C[NH3+])C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000353444825 277628743 /nfs/dbraw/zinc/62/87/43/277628743.db2.gz IAHKXXBYWMZJIP-AWEZNQCLSA-N 2 0 336.440 -0.531 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261950407 278148931 /nfs/dbraw/zinc/14/89/31/278148931.db2.gz WEGIETMVBGAETR-IJLUTSLNSA-N 2 0 325.413 -0.850 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC[NH2+]1 ZINC000331840629 300097607 /nfs/dbraw/zinc/09/76/07/300097607.db2.gz UFEMVKXMPLADQL-GJZGRUSLSA-N 2 0 338.452 -0.623 20 0 EBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000672597065 545714554 /nfs/dbraw/zinc/71/45/54/545714554.db2.gz HWOYCYZMPZCLID-LSDHHAIUSA-N 2 0 339.484 -0.663 20 0 EBADRP COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000073439055 545724821 /nfs/dbraw/zinc/72/48/21/545724821.db2.gz GUTCYUMAFGAYDR-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000668751339 545752919 /nfs/dbraw/zinc/75/29/19/545752919.db2.gz UJXJUIRMRDASNE-CYBMUJFWSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH+](C)C1CN(C(=O)c2cccc(C(=O)N3CC([NH+](C)C)C3)n2)C1 ZINC000134943754 545768421 /nfs/dbraw/zinc/76/84/21/545768421.db2.gz GMMJXERAUHFKAB-UHFFFAOYSA-N 2 0 331.420 -0.146 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000668891108 545782946 /nfs/dbraw/zinc/78/29/46/545782946.db2.gz JLYQCLRRZPWKDF-ZIAGYGMSSA-N 2 0 339.484 -0.663 20 0 EBADRP CCN(C(=O)C(=O)NCC[NH+](C)CCCOC)[C@H]1CC[N@H+](C)C1 ZINC000669104608 545810950 /nfs/dbraw/zinc/81/09/50/545810950.db2.gz LWAQCDXRZMWRNJ-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP CC1(C)CN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC[NH2+]1 ZINC000669486502 545879303 /nfs/dbraw/zinc/87/93/03/545879303.db2.gz RXUKTGQBCUBQOS-OAHLLOKOSA-N 2 0 339.484 -0.214 20 0 EBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000669491329 545881720 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328.457 -0.149 20 0 EBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000672596926 546113429 /nfs/dbraw/zinc/11/34/29/546113429.db2.gz HYQVXGDIMVPUFF-CABCVRRESA-N 2 0 339.484 -0.661 20 0 EBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3C[NH+]4CCN3CCC4)CC2)C1 ZINC000677891825 546239390 /nfs/dbraw/zinc/23/93/90/546239390.db2.gz SJHHQMWSSLTRGO-SJORKVTESA-N 2 0 335.496 -0.385 20 0 EBADRP COCC[NH2+]CCCNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000682310073 546328557 /nfs/dbraw/zinc/32/85/57/546328557.db2.gz MOZQDRNREXLHEP-UHFFFAOYSA-N 2 0 346.391 -0.052 20 0 EBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)CC1=O ZINC000684174277 546366375 /nfs/dbraw/zinc/36/63/75/546366375.db2.gz GKJWDOQSNTUNJD-YOEHRIQHSA-N 2 0 340.468 -0.688 20 0 EBADRP C[NH+](C)C1CCN(CCNC(=O)[C@@H]2CCCN2S(C)(=O)=O)CC1 ZINC000177155091 546413419 /nfs/dbraw/zinc/41/34/19/546413419.db2.gz XPJJDLBGNGHSNY-AWEZNQCLSA-N 2 0 346.497 -0.447 20 0 EBADRP COC(=O)[C@@H](F)CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000891278554 582544031 /nfs/dbraw/zinc/54/40/31/582544031.db2.gz BGIOYRSJDDYFQD-UPJWGTAASA-N 2 0 332.420 -0.122 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891480356 582557037 /nfs/dbraw/zinc/55/70/37/582557037.db2.gz BCHSFSBGNTUDJS-MJBXVCDLSA-N 2 0 325.457 -0.034 20 0 EBADRP Nc1cc[nH+]c(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)c1 ZINC000891567064 582558544 /nfs/dbraw/zinc/55/85/44/582558544.db2.gz VDUUVSVKONPNLN-OAHLLOKOSA-N 2 0 348.451 -0.131 20 0 EBADRP CN1Cc2ccccc2[C@H]1CNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000891970495 582564665 /nfs/dbraw/zinc/56/46/65/582564665.db2.gz LLGGIUUVRLNLPZ-OAHLLOKOSA-N 2 0 331.420 -0.096 20 0 EBADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N[C@H]1CCC[NH2+]C1 ZINC000892015903 582566018 /nfs/dbraw/zinc/56/60/18/582566018.db2.gz DBOOEDLCPBQLHM-JKSUJKDBSA-N 2 0 339.484 -0.166 20 0 EBADRP C[C@@H](CC[NH3+])NC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892053904 582566480 /nfs/dbraw/zinc/56/64/80/582566480.db2.gz OMZNXXFYASZAKB-LSDHHAIUSA-N 2 0 327.473 -0.181 20 0 EBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892095322 582567333 /nfs/dbraw/zinc/56/73/33/582567333.db2.gz WQUCUUKQJMGMQR-HTOAHKCRSA-N 2 0 337.424 -0.439 20 0 EBADRP CN1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)[C@H](C[NH3+])C1 ZINC000892754519 582586676 /nfs/dbraw/zinc/58/66/76/582586676.db2.gz ARIVTBBLKVVOBW-ZIAGYGMSSA-N 2 0 325.457 -0.571 20 0 EBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892761072 582587114 /nfs/dbraw/zinc/58/71/14/582587114.db2.gz UFVVUCOLPNRELJ-KBPBESRZSA-N 2 0 326.441 -0.489 20 0 EBADRP CC(C)([NH3+])CCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000892850111 582589163 /nfs/dbraw/zinc/58/91/63/582589163.db2.gz KGQXUKRHOBVNBI-CYBMUJFWSA-N 2 0 325.457 -0.033 20 0 EBADRP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000516925473 582628519 /nfs/dbraw/zinc/62/85/19/582628519.db2.gz PSZNZMDGAPOCQO-CVEARBPZSA-N 2 0 332.452 -0.073 20 0 EBADRP CC(C)[NH+]1CCN(CCC(=O)NCCN2CC[NH+](C)CC2)CC1 ZINC000900043843 582760246 /nfs/dbraw/zinc/76/02/46/582760246.db2.gz VPQZZKZVQGODRY-UHFFFAOYSA-N 2 0 325.501 -0.234 20 0 EBADRP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000900065300 582760996 /nfs/dbraw/zinc/76/09/96/582760996.db2.gz FGASDRQMBVNVLX-YJBOKZPZSA-N 2 0 347.463 -0.095 20 0 EBADRP C[C@H](CNC(=O)c1cnc(C(=O)NC[C@@H](C)[NH+](C)C)cn1)[NH+](C)C ZINC000900164298 582763244 /nfs/dbraw/zinc/76/32/44/582763244.db2.gz YWVZOPBJDSZXKB-VXGBXAGGSA-N 2 0 336.440 -0.164 20 0 EBADRP NC(=O)[C@@H]1C[C@@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000900454577 582768862 /nfs/dbraw/zinc/76/88/62/582768862.db2.gz HIOXYKDSAHYIST-CABCVRRESA-N 2 0 331.420 -0.169 20 0 EBADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000900559497 582772526 /nfs/dbraw/zinc/77/25/26/582772526.db2.gz AJBAPZRNQIZMQD-RHSMWYFYSA-N 2 0 338.452 -0.792 20 0 EBADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000900693480 582779411 /nfs/dbraw/zinc/77/94/11/582779411.db2.gz UFVSNXFZRRKKQE-NVXWUHKLSA-N 2 0 326.485 -0.074 20 0 EBADRP C[NH+](C)C1CCN(CCNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900956780 582787301 /nfs/dbraw/zinc/78/73/01/582787301.db2.gz ZDASNZKDRQKXPG-KRWDZBQOSA-N 2 0 326.485 -0.025 20 0 EBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)N(C)Cc1cnn(C)c1)C2 ZINC000903493890 582809538 /nfs/dbraw/zinc/80/95/38/582809538.db2.gz ZLVUTVJMIPRYOY-VBQJREDUSA-N 2 0 349.435 -0.409 20 0 EBADRP COCCS(=O)(=O)CCC[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492616 582809803 /nfs/dbraw/zinc/80/98/03/582809803.db2.gz HRNVHBNQACQADJ-GUTXKFCHSA-N 2 0 348.465 -0.350 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N(c2ccccn2)C2CC[NH2+]CC2)CC[NH2+]1 ZINC000903778559 582820365 /nfs/dbraw/zinc/82/03/65/582820365.db2.gz PVAPNXZQUMEGPJ-ZDUSSCGKSA-N 2 0 331.420 -0.013 20 0 EBADRP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000838303451 583053591 /nfs/dbraw/zinc/05/35/91/583053591.db2.gz VIMQEFMPJGMWIN-HRCADAONSA-N 2 0 340.468 -0.004 20 0 EBADRP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)NC[C@H]1CCCC[N@H+]1CCO ZINC000838303450 583053711 /nfs/dbraw/zinc/05/37/11/583053711.db2.gz VIMQEFMPJGMWIN-BZUAXINKSA-N 2 0 340.468 -0.004 20 0 EBADRP C[NH+](C)C1CC(NC(=O)COCC(=O)NC2CC([NH+](C)C)C2)C1 ZINC000773488472 583373404 /nfs/dbraw/zinc/37/34/04/583373404.db2.gz RCOMMYXMYMGNRP-UHFFFAOYSA-N 2 0 326.441 -0.579 20 0 EBADRP CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000775036479 583394187 /nfs/dbraw/zinc/39/41/87/583394187.db2.gz UOEGSOUWQSEDQS-HUUCEWRRSA-N 2 0 338.452 -0.434 20 0 EBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000804057059 583639407 /nfs/dbraw/zinc/63/94/07/583639407.db2.gz NBTYKEZWBDTUKY-HUUCEWRRSA-N 2 0 338.452 -0.480 20 0 EBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000807776581 583663203 /nfs/dbraw/zinc/66/32/03/583663203.db2.gz DSIKDEKNIHCDFJ-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP OC[C@H]1CC[N@H+](CCCCCC[NH+]2CC[C@@H](CO)[C@@H](O)C2)C[C@H]1O ZINC000808750919 583671970 /nfs/dbraw/zinc/67/19/70/583671970.db2.gz PCAWMVLILQCDSU-USTZCAOPSA-N 2 0 344.496 -0.103 20 0 EBADRP COC[C@](C)(CNC(=O)C[NH+]1CCCC1)NC(=O)C[NH+]1CCCC1 ZINC000820003254 583764706 /nfs/dbraw/zinc/76/47/06/583764706.db2.gz KWHNONVQVZXJRK-KRWDZBQOSA-N 2 0 340.468 -0.185 20 0 EBADRP C[NH+]1CC[C@H](CNC(=O)C(F)(F)C(=O)NC[C@H]2CC[N@@H+](C)C2)C1 ZINC000821230614 583787060 /nfs/dbraw/zinc/78/70/60/583787060.db2.gz SOHHVOWNNPENFO-VXGBXAGGSA-N 2 0 332.395 -0.243 20 0 EBADRP C[NH+]1CC[C@@H](CNC(=O)C(F)(F)C(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000821230612 583787071 /nfs/dbraw/zinc/78/70/71/583787071.db2.gz SOHHVOWNNPENFO-RYUDHWBXSA-N 2 0 332.395 -0.243 20 0 EBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3[nH]nc4c3C[NH2+]CC4)CC2)C1 ZINC000829715551 583957764 /nfs/dbraw/zinc/95/77/64/583957764.db2.gz OMCZRLWHCNBSAA-ZDUSSCGKSA-N 2 0 332.452 -0.093 20 0 EBADRP CCO[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)C[NH+](C)C ZINC000831743432 583990852 /nfs/dbraw/zinc/99/08/52/583990852.db2.gz IQYQGGUFKRMPRL-KGLIPLIRSA-N 2 0 328.457 -0.521 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[NH+]1CCCCC1 ZINC000842016027 584056336 /nfs/dbraw/zinc/05/63/36/584056336.db2.gz QSSZRAWDGWWZJA-ZIAGYGMSSA-N 2 0 325.457 -0.922 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCO1 ZINC000842130385 584057327 /nfs/dbraw/zinc/05/73/27/584057327.db2.gz OGQXHTQHOLABKR-DGAVXFQQSA-N 2 0 326.441 -0.450 20 0 EBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000842163908 584058705 /nfs/dbraw/zinc/05/87/05/584058705.db2.gz ASVYMTSIBUYBFU-QLFBSQMISA-N 2 0 340.468 -0.202 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H](O)COc2cccc(F)c2)CC1 ZINC000843064652 584070964 /nfs/dbraw/zinc/07/09/64/584070964.db2.gz HQNAVWRTIODMAV-JKSUJKDBSA-N 2 0 341.427 -0.237 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CO)C[C@H]1C[NH+](C)C ZINC000867323564 584072247 /nfs/dbraw/zinc/07/22/47/584072247.db2.gz HGEDWSOLUOWGSK-RBSFLKMASA-N 2 0 340.468 -0.833 20 0 EBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843472062 584079533 /nfs/dbraw/zinc/07/95/33/584079533.db2.gz SKPJJCIJSWXMJF-KGLIPLIRSA-N 2 0 326.441 -0.399 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844181495 584090280 /nfs/dbraw/zinc/09/02/80/584090280.db2.gz SHZFORZLUOBEGY-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000845047560 584099060 /nfs/dbraw/zinc/09/90/60/584099060.db2.gz NJXRGMRVMPZHJQ-DZGCQCFKSA-N 2 0 337.468 -0.116 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)C[C@H]1C[NH3+] ZINC000846335901 584124922 /nfs/dbraw/zinc/12/49/22/584124922.db2.gz SQBISUNNABSUSI-RRFJBIMHSA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000851684938 584198252 /nfs/dbraw/zinc/19/82/52/584198252.db2.gz NLJXLHMAZJCKGK-JSGCOSHPSA-N 2 0 326.441 -0.530 20 0 EBADRP C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)[C@H](C[NH3+])C1 ZINC000851684874 584198268 /nfs/dbraw/zinc/19/82/68/584198268.db2.gz MJLDXHASGWPSLC-KBXIAJHMSA-N 2 0 338.452 -0.448 20 0 EBADRP O=C(N[C@@H]1CCC[NH2+]C1)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861638504 584332273 /nfs/dbraw/zinc/33/22/73/584332273.db2.gz JWTRPZARGIRNBN-BNOWGMLFSA-N 2 0 337.424 -0.295 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000861732216 584335913 /nfs/dbraw/zinc/33/59/13/584335913.db2.gz KKULBKNTMHJKQX-XJKSGUPXSA-N 2 0 348.447 -0.325 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000861750129 584337236 /nfs/dbraw/zinc/33/72/36/584337236.db2.gz NPFIQSKQNDMYSG-CQSZACIVSA-N 2 0 326.441 -0.447 20 0 EBADRP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)CCOCC[NH2+]C)CC1 ZINC000863553711 584373420 /nfs/dbraw/zinc/37/34/20/584373420.db2.gz INTSVFAGNGAGES-CQSZACIVSA-N 2 0 344.456 -0.157 20 0 EBADRP COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000866782912 584406547 /nfs/dbraw/zinc/40/65/47/584406547.db2.gz CKEZJCLEQZGQBK-OAHLLOKOSA-N 2 0 349.497 -0.405 20 0 EBADRP C[NH+](C)CCCS(=O)(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866816216 584407486 /nfs/dbraw/zinc/40/74/86/584407486.db2.gz KPVCHTHLXIVEJH-UPJWGTAASA-N 2 0 346.453 -0.865 20 0 EBADRP C[NH+]1CCC2(CCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)CC1 ZINC000868387335 584427134 /nfs/dbraw/zinc/42/71/34/584427134.db2.gz BBBBZINEAUVZJM-CQSZACIVSA-N 2 0 338.452 -0.493 20 0 EBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000868385206 584427244 /nfs/dbraw/zinc/42/72/44/584427244.db2.gz MKPFVEAECYMCDF-RRFJBIMHSA-N 3 0 339.484 -0.996 20 0 EBADRP O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870998095 584450789 /nfs/dbraw/zinc/45/07/89/584450789.db2.gz UDUNCCTWLIZKKY-XKSGDERDSA-N 2 0 334.420 -0.230 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870998832 584450809 /nfs/dbraw/zinc/45/08/09/584450809.db2.gz HIVNYFBVXLBNPZ-QXSJWSMHSA-N 2 0 344.415 -0.050 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870998830 584450869 /nfs/dbraw/zinc/45/08/69/584450869.db2.gz HIVNYFBVXLBNPZ-JONQDZQNSA-N 2 0 344.415 -0.050 20 0 EBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000871814279 584457481 /nfs/dbraw/zinc/45/74/81/584457481.db2.gz RRQUHHVOZBIAKS-GXSJLCMTSA-N 2 0 344.403 -0.016 20 0 EBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000871814282 584457586 /nfs/dbraw/zinc/45/75/86/584457586.db2.gz RRQUHHVOZBIAKS-ONGXEEELSA-N 2 0 344.403 -0.016 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000871816139 584457839 /nfs/dbraw/zinc/45/78/39/584457839.db2.gz BEHTYKRGBMFROY-HUUCEWRRSA-N 2 0 330.498 -0.172 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872185486 584458815 /nfs/dbraw/zinc/45/88/15/584458815.db2.gz ASEHUEPRHZFEMW-QWRGUYRKSA-N 2 0 338.374 -0.008 20 0 EBADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000872190935 584459155 /nfs/dbraw/zinc/45/91/55/584459155.db2.gz GCNBOKBOKDXEDL-LDDOYCOJSA-N 2 0 334.464 -0.003 20 0 EBADRP C[NH+]1CCC(C[NH2+]C[C@@H](O)CC(C)(C)O)(N2CCOCC2)CC1 ZINC000872209455 584460531 /nfs/dbraw/zinc/46/05/31/584460531.db2.gz KYHYXZNHZASUNL-HNNXBMFYSA-N 2 0 329.485 -0.106 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000875159405 584491295 /nfs/dbraw/zinc/49/12/95/584491295.db2.gz IXTOWQGRFSKZNA-KGLIPLIRSA-N 2 0 326.441 -0.767 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000875159404 584491507 /nfs/dbraw/zinc/49/15/07/584491507.db2.gz IXTOWQGRFSKZNA-KBPBESRZSA-N 2 0 326.441 -0.767 20 0 EBADRP C[C@H](CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)S(C)(=O)=O ZINC000875420795 584498833 /nfs/dbraw/zinc/49/88/33/584498833.db2.gz DUSBNEUUULZLLH-MGPQQGTHSA-N 2 0 348.513 -0.200 20 0 EBADRP C[NH+](C)C[C@H](N)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000876783084 584523985 /nfs/dbraw/zinc/52/39/85/584523985.db2.gz ZJEGTIZRAXGLSH-INIZCTEOSA-N 3 0 334.468 -0.401 20 0 EBADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1(F)F ZINC000876788383 584524141 /nfs/dbraw/zinc/52/41/41/584524141.db2.gz MSEZXHLKOAIPEO-FVCCEPFGSA-N 2 0 344.406 -0.067 20 0 EBADRP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1(F)F ZINC000876841149 584524906 /nfs/dbraw/zinc/52/49/06/584524906.db2.gz LEHVPWOCVBINGH-IWSPIJDZSA-N 2 0 330.301 -0.221 20 0 EBADRP COC[C@@]1(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C[NH2+]CCO1 ZINC000876866920 584525164 /nfs/dbraw/zinc/52/51/64/584525164.db2.gz NNTKUTXMGSWYMP-IJEWVQPXSA-N 2 0 327.425 -0.654 20 0 EBADRP COC[C@]1(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)C[NH2+]CCO1 ZINC000877199589 584529863 /nfs/dbraw/zinc/52/98/63/584529863.db2.gz WVINFJFFPMRZPD-INIZCTEOSA-N 3 0 335.408 -0.565 20 0 EBADRP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000884560128 584627191 /nfs/dbraw/zinc/62/71/91/584627191.db2.gz NZUKSEVICJLQIW-RBSFLKMASA-N 2 0 338.452 -0.304 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)Cc2ccccc2C1 ZINC000884567027 584627647 /nfs/dbraw/zinc/62/76/47/584627647.db2.gz ZTDSALSBAJKGHD-HOTGVXAUSA-N 2 0 342.443 -0.226 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884562980 584627672 /nfs/dbraw/zinc/62/76/72/584627672.db2.gz QFGHATFZVJHXOF-NSHDSACASA-N 2 0 336.383 -0.958 20 0 EBADRP CN(CCCCCC[NH3+])C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000884560520 584627682 /nfs/dbraw/zinc/62/76/82/584627682.db2.gz ZMCLOJZXMFQZIW-CABCVRRESA-N 2 0 340.468 -0.057 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000884603355 584629275 /nfs/dbraw/zinc/62/92/75/584629275.db2.gz HXYMMVFDSGFFEV-JJRVBVJISA-N 2 0 338.452 -0.719 20 0 EBADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000884627618 584630429 /nfs/dbraw/zinc/63/04/29/584630429.db2.gz WNAOUVRMCSLORU-RYUDHWBXSA-N 2 0 344.406 -0.052 20 0 EBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NCCC[N@H+](C)CCOC ZINC000884637676 584630534 /nfs/dbraw/zinc/63/05/34/584630534.db2.gz XDXALMTUCGKIBL-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000884631275 584630609 /nfs/dbraw/zinc/63/06/09/584630609.db2.gz FHAATJZJOFKLMC-STQMWFEESA-N 2 0 344.406 -0.052 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884637650 584630616 /nfs/dbraw/zinc/63/06/16/584630616.db2.gz WJDXSGNIQVWYDR-AWEZNQCLSA-N 2 0 342.484 -0.035 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000884662656 584632412 /nfs/dbraw/zinc/63/24/12/584632412.db2.gz VTWJQPJAMVFQIR-MRXNPFEDSA-N 2 0 348.447 -0.489 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000884669765 584632577 /nfs/dbraw/zinc/63/25/77/584632577.db2.gz GFNMAIXNSDWKQE-RBSFLKMASA-N 2 0 339.484 -0.676 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[NH3+])C[C@H]1C[NH+](C)C ZINC000884707975 584635301 /nfs/dbraw/zinc/63/53/01/584635301.db2.gz HPYNGKLEUSAGRY-CHWSQXEVSA-N 3 0 327.473 -0.962 20 0 EBADRP CC1([NH+]2CCCC2)CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000884725338 584636345 /nfs/dbraw/zinc/63/63/45/584636345.db2.gz FVWDTYLJQYNESI-AWEZNQCLSA-N 2 0 338.452 -0.432 20 0 EBADRP CC1([NH+]2CCCC2)CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000884725339 584636455 /nfs/dbraw/zinc/63/64/55/584636455.db2.gz FVWDTYLJQYNESI-CQSZACIVSA-N 2 0 338.452 -0.432 20 0 EBADRP C[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CCC1(C)C ZINC000884724260 584636466 /nfs/dbraw/zinc/63/64/66/584636466.db2.gz OBRPGQLNUTVOBJ-CYBMUJFWSA-N 2 0 326.441 -0.576 20 0 EBADRP CC1(C)CC[C@@H](CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[NH2+]C1 ZINC000884875358 584640076 /nfs/dbraw/zinc/64/00/76/584640076.db2.gz BUMQGVUNIBUPTH-MELADBBJSA-N 2 0 338.452 -0.842 20 0 EBADRP CN1Cc2ccccc2[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000885022218 584642802 /nfs/dbraw/zinc/64/28/02/584642802.db2.gz MLCHPIXSIDNMLZ-DZGCQCFKSA-N 2 0 332.404 -0.525 20 0 EBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885203643 584645739 /nfs/dbraw/zinc/64/57/39/584645739.db2.gz WQFYGDNVQFHEMG-CYBMUJFWSA-N 2 0 340.468 -0.058 20 0 EBADRP CCN(C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@H]1CC[NH2+]C1 ZINC000887070565 584675478 /nfs/dbraw/zinc/67/54/78/584675478.db2.gz OOBTUSODLJNBHV-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000887091873 584676378 /nfs/dbraw/zinc/67/63/78/584676378.db2.gz ZLORDGRFSOGXJO-DZGCQCFKSA-N 2 0 347.419 -0.695 20 0 EBADRP C[NH+](C)CCCN1C(=O)C[C@H]([NH+]2CCC3(CC2)COCCO3)C1=O ZINC000887304871 584677400 /nfs/dbraw/zinc/67/74/00/584677400.db2.gz PTFBSJQIURYESH-AWEZNQCLSA-N 2 0 339.436 -0.053 20 0 EBADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NC[C@]1(CO)COCC2(CCC2)N1C ZINC000890057501 584691150 /nfs/dbraw/zinc/69/11/50/584691150.db2.gz HECHEQOEJBPQNT-PBHICJAKSA-N 2 0 340.468 -0.004 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C[C@H]1C[NH3+] ZINC000904961177 650052265 /nfs/dbraw/zinc/05/22/65/650052265.db2.gz NEHCOFWCVUAKJG-UMPJEAMMSA-N 2 0 338.452 -0.781 20 0 EBADRP CC1([NH3+])CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000904991919 650056098 /nfs/dbraw/zinc/05/60/98/650056098.db2.gz YZJVOEVQSPNINN-ZIAGYGMSSA-N 2 0 338.452 -0.616 20 0 EBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2CCOC)C1 ZINC000904992860 650056178 /nfs/dbraw/zinc/05/61/78/650056178.db2.gz CDCXCONWZDMMMN-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000905017744 650060312 /nfs/dbraw/zinc/06/03/12/650060312.db2.gz VUZBJGAUBFANMM-GJZGRUSLSA-N 2 0 338.452 -0.480 20 0 EBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2COC)C1 ZINC000905022374 650061113 /nfs/dbraw/zinc/06/11/13/650061113.db2.gz QPHJESUMLHCJEO-KBPBESRZSA-N 2 0 326.441 -0.767 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000905025669 650061694 /nfs/dbraw/zinc/06/16/94/650061694.db2.gz ZJDQPNVRECWPDX-GJZGRUSLSA-N 2 0 338.452 -0.623 20 0 EBADRP CC(C)[NH+]1CCC(O)(CNC(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000907000165 650075306 /nfs/dbraw/zinc/07/53/06/650075306.db2.gz UHKNTZYVEMAIHD-UHFFFAOYSA-N 2 0 326.485 -0.169 20 0 EBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)c1cccn1CCN1CCOCC1 ZINC000907115694 650076872 /nfs/dbraw/zinc/07/68/72/650076872.db2.gz LEMVKRNOUGDWEP-KRWDZBQOSA-N 2 0 338.452 -0.137 20 0 EBADRP CC[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@H](CC)[NH+](C)C)[NH+](C)C ZINC000908374526 650100864 /nfs/dbraw/zinc/10/08/64/650100864.db2.gz YWHHZPAPJNVYMJ-IHRRRGAJSA-N 2 0 330.473 -0.398 20 0 EBADRP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@H]4C[N@@H+](C)C[C@@]4(C)C3)CC[C@@H]21 ZINC000910765574 650129633 /nfs/dbraw/zinc/12/96/33/650129633.db2.gz JGBIBBXHGHXMSE-BSXFFOKHSA-N 2 0 334.464 -0.051 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000910920968 650140784 /nfs/dbraw/zinc/14/07/84/650140784.db2.gz BTHSQKOHVBMJHF-GJZGRUSLSA-N 2 0 340.468 -0.546 20 0 EBADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CCNCC[NH2+]CC2)CCCC1 ZINC000910949107 650141624 /nfs/dbraw/zinc/14/16/24/650141624.db2.gz HLQUESXTAWPFHC-UHFFFAOYSA-N 2 0 339.484 -0.754 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000910972865 650142568 /nfs/dbraw/zinc/14/25/68/650142568.db2.gz RYGHCXLHQQXGFO-FVQBIDKESA-N 2 0 332.448 0.000 20 0 EBADRP CC[NH+]1CCC(CCNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000910977000 650143261 /nfs/dbraw/zinc/14/32/61/650143261.db2.gz DIKLYAIZRDIQBK-QGZVFWFLSA-N 2 0 340.468 -0.463 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CCCO1 ZINC000910984056 650143781 /nfs/dbraw/zinc/14/37/81/650143781.db2.gz KBYYDYKPBYRGKE-ZIAGYGMSSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000910985085 650143819 /nfs/dbraw/zinc/14/38/19/650143819.db2.gz RKFASKXOWNMTDO-HZSPNIEDSA-N 2 0 326.441 -0.672 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)C1 ZINC000910990902 650144383 /nfs/dbraw/zinc/14/43/83/650144383.db2.gz FGAMAUXXADMBLV-ZIAGYGMSSA-N 2 0 340.468 -0.426 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000910999284 650144620 /nfs/dbraw/zinc/14/46/20/650144620.db2.gz JPANZPMGRRMGRH-ZIAGYGMSSA-N 2 0 340.468 -0.425 20 0 EBADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2CCOC)CC1 ZINC000911004383 650144758 /nfs/dbraw/zinc/14/47/58/650144758.db2.gz OXOQGAPMSHGBAB-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000911003020 650144815 /nfs/dbraw/zinc/14/48/15/650144815.db2.gz FZUWKDYENYATSK-ZDUSSCGKSA-N 2 0 326.441 -0.672 20 0 EBADRP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000911022114 650146140 /nfs/dbraw/zinc/14/61/40/650146140.db2.gz GEZQNLMVKSHIRH-INIZCTEOSA-N 2 0 326.441 -0.709 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000911030971 650146829 /nfs/dbraw/zinc/14/68/29/650146829.db2.gz NKTUJLPRJHVHBQ-CPUCHLNUSA-N 2 0 337.468 -0.922 20 0 EBADRP C[NH+](C)CCOc1ccccc1CNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911079633 650149742 /nfs/dbraw/zinc/14/97/42/650149742.db2.gz YSHMLMHNRDFUTK-UHFFFAOYSA-N 2 0 334.420 -0.149 20 0 EBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1(C)C ZINC000911097876 650151167 /nfs/dbraw/zinc/15/11/67/650151167.db2.gz WGBLUYRLMYVRQA-CYBMUJFWSA-N 2 0 339.484 -0.757 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C[C@H]1CC[NH3+] ZINC000911148819 650154159 /nfs/dbraw/zinc/15/41/59/650154159.db2.gz RBOFPPBQQWTMCI-TUVASFSCSA-N 2 0 338.452 -0.591 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC000911156263 650154991 /nfs/dbraw/zinc/15/49/91/650154991.db2.gz PIOXPNUUJCPROI-BBRMVZONSA-N 2 0 326.441 -0.589 20 0 EBADRP CC1CC[NH+](CCNC(=O)C(=O)N(C)C2(C[NH3+])CCOCC2)CC1 ZINC000911161491 650155377 /nfs/dbraw/zinc/15/53/77/650155377.db2.gz KTXQOLMWBWBXGX-UHFFFAOYSA-N 2 0 340.468 -0.199 20 0 EBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC000911187106 650157661 /nfs/dbraw/zinc/15/76/61/650157661.db2.gz MGRSGEKYMDYFIH-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000911185259 650157828 /nfs/dbraw/zinc/15/78/28/650157828.db2.gz ZQEHLSZINYLPKA-HNNXBMFYSA-N 2 0 340.468 -0.185 20 0 EBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911188326 650157987 /nfs/dbraw/zinc/15/79/87/650157987.db2.gz WEIUZTFINHMTHU-HNNXBMFYSA-N 2 0 340.468 -0.137 20 0 EBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000911182995 650158045 /nfs/dbraw/zinc/15/80/45/650158045.db2.gz HKGAFWIZGPTSGK-ZDUSSCGKSA-N 2 0 326.441 -0.671 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000911195530 650158633 /nfs/dbraw/zinc/15/86/33/650158633.db2.gz UNITVZCQEGUYEQ-RRFJBIMHSA-N 2 0 338.452 -0.387 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000911200010 650158852 /nfs/dbraw/zinc/15/88/52/650158852.db2.gz NWJBPBRMYQRFBT-QWHCGFSZSA-N 2 0 328.457 -0.474 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000911196395 650158964 /nfs/dbraw/zinc/15/89/64/650158964.db2.gz XDZQYHQHAOGQJQ-KBPBESRZSA-N 2 0 326.441 -0.589 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CCSC1 ZINC000911198535 650158978 /nfs/dbraw/zinc/15/89/78/650158978.db2.gz HALQREFAGWUJCI-XHDPSFHLSA-N 2 0 328.482 -0.264 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CCSC1 ZINC000911201499 650158995 /nfs/dbraw/zinc/15/89/95/650158995.db2.gz XEICPFJMRWZXKK-DOMZBBRYSA-N 2 0 328.482 -0.263 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911206432 650159436 /nfs/dbraw/zinc/15/94/36/650159436.db2.gz FKZWYKDQZHRVDP-HNNXBMFYSA-N 2 0 339.484 -0.484 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000911218562 650160172 /nfs/dbraw/zinc/16/01/72/650160172.db2.gz KVTHBWOHWALBND-HNNXBMFYSA-N 2 0 338.452 -0.576 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)C1CCCC1 ZINC000911235642 650161459 /nfs/dbraw/zinc/16/14/59/650161459.db2.gz GVGYUKBQVPCRJN-MRXNPFEDSA-N 2 0 326.441 -0.711 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000911240520 650162596 /nfs/dbraw/zinc/16/25/96/650162596.db2.gz JDUXAUJNJJXKQV-YOEHRIQHSA-N 2 0 338.452 -0.432 20 0 EBADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911243846 650162987 /nfs/dbraw/zinc/16/29/87/650162987.db2.gz CIKORMZSYRISEN-AWEZNQCLSA-N 2 0 340.468 -0.281 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000911257410 650163529 /nfs/dbraw/zinc/16/35/29/650163529.db2.gz HYQDESVSUKGUTR-UHFFFAOYSA-N 2 0 342.484 -0.096 20 0 EBADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911299011 650167778 /nfs/dbraw/zinc/16/77/78/650167778.db2.gz QLDATBRXITUJFM-KGLIPLIRSA-N 2 0 340.468 -0.322 20 0 EBADRP O=C(NCC1CC[NH2+]CC1)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000911268461 650164431 /nfs/dbraw/zinc/16/44/31/650164431.db2.gz WJTKWWGSKMOPSJ-LSDHHAIUSA-N 2 0 338.452 -0.840 20 0 EBADRP O=C(NCC1=CC[NH2+]CC1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000911305839 650168608 /nfs/dbraw/zinc/16/86/08/650168608.db2.gz IOWCAZJKNUHCQA-HUUCEWRRSA-N 2 0 336.436 -0.920 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C[NH+](C)C ZINC000911313544 650170556 /nfs/dbraw/zinc/17/05/56/650170556.db2.gz FXFMPSZVGFKHIV-LXTVHRRPSA-N 2 0 340.468 -0.426 20 0 EBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000911335879 650171630 /nfs/dbraw/zinc/17/16/30/650171630.db2.gz BZOPRLDBMAOPIA-UONOGXRCSA-N 2 0 338.452 -0.530 20 0 EBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000911346745 650173393 /nfs/dbraw/zinc/17/33/93/650173393.db2.gz QESPEULEQKLRBX-UHFFFAOYSA-N 2 0 328.457 -0.343 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)C[NH+](C)C ZINC000911357333 650174333 /nfs/dbraw/zinc/17/43/33/650174333.db2.gz PMYIYOZATVVRHD-UONOGXRCSA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000911365072 650175313 /nfs/dbraw/zinc/17/53/13/650175313.db2.gz BEWHXUFLANQFRH-VHDGCEQUSA-N 2 0 333.436 -0.085 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000911404179 650179342 /nfs/dbraw/zinc/17/93/42/650179342.db2.gz WZPZNCXFKMJUON-HNNXBMFYSA-N 2 0 349.435 -0.399 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000911370426 650176355 /nfs/dbraw/zinc/17/63/55/650176355.db2.gz ZTNPHWITZKNXRV-RBSFLKMASA-N 2 0 338.452 -0.719 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000911381159 650177362 /nfs/dbraw/zinc/17/73/62/650177362.db2.gz RXRAJGQTEMRLAO-TUVASFSCSA-N 2 0 340.468 -0.426 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000911381156 650177391 /nfs/dbraw/zinc/17/73/91/650177391.db2.gz RXRAJGQTEMRLAO-KBXIAJHMSA-N 2 0 340.468 -0.426 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@H]1CCCN2CCSC[C@@H]12 ZINC000911383833 650177501 /nfs/dbraw/zinc/17/75/01/650177501.db2.gz VBXVFJXUBIKMIY-RFGFWPKPSA-N 2 0 340.493 -0.346 20 0 EBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000911386035 650177938 /nfs/dbraw/zinc/17/79/38/650177938.db2.gz MUTPYKSGMOKGRF-KGLIPLIRSA-N 2 0 338.452 -0.528 20 0 EBADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCSC[C@H]23)C1 ZINC000911421890 650182790 /nfs/dbraw/zinc/18/27/90/650182790.db2.gz XWEFKBYIAOCJKB-YNEHKIRRSA-N 2 0 326.466 -0.510 20 0 EBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C[NH+](C)C)OCC ZINC000911433924 650183481 /nfs/dbraw/zinc/18/34/81/650183481.db2.gz FERPTCQJRUMVHS-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)C[NH+](C)C ZINC000911433744 650183510 /nfs/dbraw/zinc/18/35/10/650183510.db2.gz CZWGTNJOLKILDF-CJNGLKHVSA-N 2 0 326.441 -0.719 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2)C[NH+](C)C ZINC000911433912 650183535 /nfs/dbraw/zinc/18/35/35/650183535.db2.gz DZSWOACICFJURN-RHSMWYFYSA-N 2 0 340.468 -0.186 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C[NH+](C)C ZINC000911434821 650183540 /nfs/dbraw/zinc/18/35/40/650183540.db2.gz JGIBBQDXIBBVTM-HZSPNIEDSA-N 2 0 326.441 -0.578 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1)C[NH+](C)C ZINC000911435315 650183563 /nfs/dbraw/zinc/18/35/63/650183563.db2.gz LMDNYSOQFQMIIF-BFHYXJOUSA-N 2 0 328.457 -0.345 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+])C[NH+](C)C ZINC000911435428 650183950 /nfs/dbraw/zinc/18/39/50/650183950.db2.gz MPFNMQFHXBDIOA-XJKCOSOUSA-N 2 0 326.441 -0.591 20 0 EBADRP [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000911490819 650188156 /nfs/dbraw/zinc/18/81/56/650188156.db2.gz UTICOOPTBHJPSL-YJNKXOJESA-N 2 0 338.452 -0.712 20 0 EBADRP [NH3+]C1(CNC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000911507477 650189292 /nfs/dbraw/zinc/18/92/92/650189292.db2.gz XVEZJWFAIIYQIV-UHFFFAOYSA-N 2 0 338.452 -0.303 20 0 EBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911518708 650189697 /nfs/dbraw/zinc/18/96/97/650189697.db2.gz AOXSMQUGPLMQNI-CQSZACIVSA-N 2 0 339.484 -0.804 20 0 EBADRP C[NH2+]CCCNC(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC000911676123 650195534 /nfs/dbraw/zinc/19/55/34/650195534.db2.gz HCVFACHNVHOTAF-UHFFFAOYSA-N 2 0 331.214 -0.091 20 0 EBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000911549112 650192456 /nfs/dbraw/zinc/19/24/56/650192456.db2.gz GFELPEABIHPBHI-VHDGCEQUSA-N 2 0 338.452 -0.435 20 0 EBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N[C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)CC2)C1 ZINC000911549249 650192667 /nfs/dbraw/zinc/19/26/67/650192667.db2.gz HWOQBPOVCMAHIP-LVQVYYBASA-N 2 0 349.479 -0.766 20 0 EBADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000911551910 650193053 /nfs/dbraw/zinc/19/30/53/650193053.db2.gz TVLZANGFBIJCIG-QKGCVVFFSA-N 2 0 336.436 -0.947 20 0 EBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(F)(F)C2CC[NH2+]CC2)C1 ZINC000911731948 650196256 /nfs/dbraw/zinc/19/62/56/650196256.db2.gz ZUXRCPFUHRVRCX-LLVKDONJSA-N 2 0 332.395 -0.065 20 0 EBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000917677572 650284100 /nfs/dbraw/zinc/28/41/00/650284100.db2.gz MYHJWPSMDUFISJ-CQSZACIVSA-N 2 0 325.457 -0.068 20 0 EBADRP C[N@@H+]1CC[C@@H]1CNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000919072177 650294768 /nfs/dbraw/zinc/29/47/68/650294768.db2.gz NUCDLOVCDDFEHZ-LSDHHAIUSA-N 2 0 325.457 -0.604 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000919071530 650295421 /nfs/dbraw/zinc/29/54/21/650295421.db2.gz KZYRSUBYDBUFPW-PMPSAXMXSA-N 2 0 339.484 -0.215 20 0 EBADRP O=C(NC[C@@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1)[C@@H]1CCC[NH2+]1 ZINC000923329717 650338170 /nfs/dbraw/zinc/33/81/70/650338170.db2.gz XXKMIKPECHFDGJ-JYJNAYRXSA-N 3 0 336.480 -0.055 20 0 EBADRP NC(=O)c1ccc(N2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)nc1 ZINC000923320955 650338204 /nfs/dbraw/zinc/33/82/04/650338204.db2.gz JNLNEXQMTZLZLQ-AWEZNQCLSA-N 2 0 331.420 -0.319 20 0 EBADRP C[NH+](C)C1(CNC(=O)N2CCO[C@H](CN3CC[NH+](C)CC3)C2)CC1 ZINC000923006085 650335728 /nfs/dbraw/zinc/33/57/28/650335728.db2.gz DKOYZUQKCHLUMG-OAHLLOKOSA-N 2 0 339.484 -0.262 20 0 EBADRP COCCN(C)C[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923281868 650337576 /nfs/dbraw/zinc/33/75/76/650337576.db2.gz IFPGRJRXSMLKEC-JKSUJKDBSA-N 3 0 342.484 -0.931 20 0 EBADRP COC(=O)CCN1CC[C@H]([NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)C1=O ZINC000923447684 650341215 /nfs/dbraw/zinc/34/12/15/650341215.db2.gz VZNWOCQOYFICIU-KBPBESRZSA-N 2 0 339.436 -0.020 20 0 EBADRP CS(=O)(=O)c1cccc(OCCN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923463808 650341551 /nfs/dbraw/zinc/34/15/51/650341551.db2.gz VTSRQMUYAFGSSX-UHFFFAOYSA-N 2 0 327.450 -0.036 20 0 EBADRP COCC[N@H+](C)C[C@@H](O)CN(Cc1ccccc1)[C@@H]1C[NH2+]C[C@H]1O ZINC000923559164 650343859 /nfs/dbraw/zinc/34/38/59/650343859.db2.gz HUIUPEBRYXCVFN-KZNAEPCWSA-N 2 0 337.464 -0.240 20 0 EBADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCNCC[NH2+]CC2)cc1 ZINC000923691580 650353469 /nfs/dbraw/zinc/35/34/69/650353469.db2.gz IBLGISTVFMPVHL-UHFFFAOYSA-N 2 0 326.466 -0.068 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)N2CCO[C@H](CN3CC[NH+](C)CC3)C2)CC[N@@H+]1C ZINC000925331337 650376538 /nfs/dbraw/zinc/37/65/38/650376538.db2.gz WMGYCBRLUXEIEE-OAGGEKHMSA-N 2 0 339.484 -0.263 20 0 EBADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)C1 ZINC000926329647 650386285 /nfs/dbraw/zinc/38/62/85/650386285.db2.gz GIGQHDYAHANZBW-ZIAGYGMSSA-N 2 0 338.452 -0.495 20 0 EBADRP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000926334360 650386527 /nfs/dbraw/zinc/38/65/27/650386527.db2.gz TZOLLPVRKCRRIK-RHSMWYFYSA-N 2 0 338.452 -0.615 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C[C@H]1[NH3+] ZINC000926331526 650386541 /nfs/dbraw/zinc/38/65/41/650386541.db2.gz BDEHOYHRKUBAPU-QLFBSQMISA-N 2 0 337.468 -0.970 20 0 EBADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926349053 650388503 /nfs/dbraw/zinc/38/85/03/650388503.db2.gz RUGWIGRKTFMWJC-KRWDZBQOSA-N 2 0 342.484 -0.121 20 0 EBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000926381874 650390164 /nfs/dbraw/zinc/39/01/64/650390164.db2.gz YHXPXDUMBCUIDE-XJKSGUPXSA-N 2 0 326.441 -0.760 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C[NH+](C)C ZINC000929507245 651551495 /nfs/dbraw/zinc/55/14/95/651551495.db2.gz RSESKJXXFZZSAJ-SOUVJXGZSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H](CNC(=O)c1c[nH]nc1CC(=O)NC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000930097802 651582859 /nfs/dbraw/zinc/58/28/59/651582859.db2.gz KDSMBXSYODKIQG-NWDGAFQWSA-N 2 0 338.456 -0.302 20 0 EBADRP C[C@H](O)[C@H](O)C[NH+]1CCCC2(CCC[N@@H+](C[C@@H](O)[C@H](C)O)C2)C1 ZINC000930512845 651601117 /nfs/dbraw/zinc/60/11/17/651601117.db2.gz XBTLHEKZAUZYFE-LADIWZGKSA-N 2 0 330.469 -0.352 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)C[NH+](C)C ZINC000930653523 651606522 /nfs/dbraw/zinc/60/65/22/651606522.db2.gz VOYVYLVNXWWCDH-HIFRSBDPSA-N 2 0 340.468 -0.164 20 0 EBADRP COC(=O)CCN1CCC[C@H]([NH+]2CCC(O)(C[NH+](C)C)CC2)C1=O ZINC000931480213 651634379 /nfs/dbraw/zinc/63/43/79/651634379.db2.gz PCTBUOYOHYKGGV-AWEZNQCLSA-N 2 0 341.452 -0.071 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC000932033923 651661523 /nfs/dbraw/zinc/66/15/23/651661523.db2.gz ICEIYEZMHRFPPL-AWEZNQCLSA-N 2 0 334.486 -0.590 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)C[NH+](C)C ZINC000932470469 651682680 /nfs/dbraw/zinc/68/26/80/651682680.db2.gz ZVKNRGUYDSBINJ-LSDHHAIUSA-N 2 0 342.484 -0.131 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)C[NH+](C)C ZINC000932469226 651682933 /nfs/dbraw/zinc/68/29/33/651682933.db2.gz NADSQMHNGRXWFO-UONOGXRCSA-N 2 0 328.457 -0.378 20 0 EBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000932952406 651703757 /nfs/dbraw/zinc/70/37/57/651703757.db2.gz KKVAIZOPGXFFCY-HIFRSBDPSA-N 2 0 338.452 -0.434 20 0 EBADRP CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941866620 652935101 /nfs/dbraw/zinc/93/51/01/652935101.db2.gz DPUGCZPPRHWTDS-QLFBSQMISA-N 2 0 338.452 -0.482 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+]([C@@H]4CCNC4=O)C[C@H]3CC2)C1 ZINC000946892614 653256940 /nfs/dbraw/zinc/25/69/40/653256940.db2.gz HKNJORHURDSXLI-XUWVNRHRSA-N 2 0 334.464 -0.003 20 0 EBADRP CC[C@H](C(=O)N1CCC(O)(C[NH2+][C@@H]2CCCNC2=O)CC1)[NH+](C)C ZINC000946924702 653270639 /nfs/dbraw/zinc/27/06/39/653270639.db2.gz JGVWEFGVNPIMOU-ZIAGYGMSSA-N 2 0 340.468 -0.452 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC000946925786 653272251 /nfs/dbraw/zinc/27/22/51/653272251.db2.gz UIUBYDZXGXNKRJ-KGLIPLIRSA-N 2 0 338.452 -0.698 20 0 EBADRP C[C@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)CCO2 ZINC000949244420 653848788 /nfs/dbraw/zinc/84/87/88/653848788.db2.gz GIYMWXGXHOJNPW-ZIAGYGMSSA-N 2 0 338.452 -0.495 20 0 EBADRP COCC[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC000958171530 722318128 /nfs/dbraw/zinc/31/81/28/722318128.db2.gz KDQWAISMHBJAAH-HUUCEWRRSA-N 2 0 325.453 -0.082 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2O)CC1 ZINC000958375440 722354473 /nfs/dbraw/zinc/35/44/73/722354473.db2.gz UEXRQIOQMJJZFL-HZPDHXFCSA-N 2 0 335.452 -0.366 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCCO)C[C@@H]2O)CC1 ZINC000958554557 722390357 /nfs/dbraw/zinc/39/03/57/722390357.db2.gz GBEBVJXYDRNXIR-CVEARBPZSA-N 2 0 327.469 -0.102 20 0 EBADRP O=C(NC[C@@H]1C[N@H+](CCCO)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC000958581695 722395190 /nfs/dbraw/zinc/39/51/90/722395190.db2.gz RLOMSAJJQFOCIR-IAGOWNOFSA-N 2 0 339.480 -0.100 20 0 EBADRP Cn1nccc1CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958592199 722397429 /nfs/dbraw/zinc/39/74/29/722397429.db2.gz MSPSYSBAUNLGIG-GOEBONIOSA-N 2 0 347.463 -0.533 20 0 EBADRP Cn1cc(CC[N@@H+]2C[C@H](O)[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC000958592958 722397730 /nfs/dbraw/zinc/39/77/30/722397730.db2.gz ZBWYPMNNTVDMPO-CVEARBPZSA-N 2 0 347.463 -0.533 20 0 EBADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000958758113 722427761 /nfs/dbraw/zinc/42/77/61/722427761.db2.gz XGNQCKYQBDNDBI-ILXRZTDVSA-N 2 0 338.452 -0.794 20 0 EBADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC000958850590 722618165 /nfs/dbraw/zinc/61/81/65/722618165.db2.gz IGAKYDBCIBDRSS-XGUBFFRZSA-N 2 0 338.452 -0.938 20 0 EBADRP C[N@H+](CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C1)C1CCC1 ZINC001018971697 728758676 /nfs/dbraw/zinc/75/86/76/728758676.db2.gz OMRHEOHZXFEJKG-AWEZNQCLSA-N 2 0 338.452 -0.480 20 0 EBADRP C[N@H+](C[C@H]1CCCN1C(=O)C[NH+]1CCCC1)[C@H]1CCC(=O)NC1=O ZINC000961031505 722889086 /nfs/dbraw/zinc/88/90/86/722889086.db2.gz YEJCLIGPXPZIMZ-KGLIPLIRSA-N 2 0 336.436 -0.190 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C1)[NH+](C)C ZINC001019034736 728777145 /nfs/dbraw/zinc/77/71/45/728777145.db2.gz MVXRIIXNGMDCML-UONOGXRCSA-N 2 0 326.441 -0.624 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)[NH+](C)C ZINC001019032296 728777290 /nfs/dbraw/zinc/77/72/90/728777290.db2.gz PBOYCCSNUMTIBW-MELADBBJSA-N 2 0 331.482 -0.048 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC000961664567 723054649 /nfs/dbraw/zinc/05/46/49/723054649.db2.gz QMVCRJFCUGEBQA-COMQUAJESA-N 2 0 334.420 -0.820 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CCN4CCCC4=O)C[C@H]32)C1 ZINC000961762989 723074529 /nfs/dbraw/zinc/07/45/29/723074529.db2.gz JPXDVSRESZVWOA-BSXFFOKHSA-N 2 0 334.464 -0.003 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC000961778224 723079466 /nfs/dbraw/zinc/07/94/66/723079466.db2.gz KRHXOLWXRITUIW-RSUWNVLCSA-N 2 0 348.447 -0.430 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000962311605 723223854 /nfs/dbraw/zinc/22/38/54/723223854.db2.gz LVUSYAPQZYHCQV-MYZSUADSSA-N 2 0 329.404 -0.304 20 0 EBADRP Cn1[nH]c(C[NH2+]CC2CC(NC(=O)C34CC[NH+](CC3)C4)C2)nc1=O ZINC000962538531 723279193 /nfs/dbraw/zinc/27/91/93/723279193.db2.gz BTVXYHSAYGLDEY-UHFFFAOYSA-N 2 0 334.424 -0.811 20 0 EBADRP CC(C)(C(=O)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)[NH+]1CCCC1 ZINC001019231288 728831756 /nfs/dbraw/zinc/83/17/56/728831756.db2.gz WFRLDZJTPKWBFN-STQMWFEESA-N 2 0 336.436 -0.144 20 0 EBADRP Cc1nccn1CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000964130731 723826661 /nfs/dbraw/zinc/82/66/61/723826661.db2.gz UZBPIPLKCYOMTJ-CABCVRRESA-N 2 0 349.435 -0.371 20 0 EBADRP C[NH+]1CCC(CC(=O)N2CC[C@H]([NH2+]CCN3CCNC3=O)C2)CC1 ZINC001019469863 728896123 /nfs/dbraw/zinc/89/61/23/728896123.db2.gz RKWXNZGAJPZLPM-HNNXBMFYSA-N 2 0 337.468 -0.066 20 0 EBADRP C[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000968549557 725079806 /nfs/dbraw/zinc/07/98/06/725079806.db2.gz UAQOFMHZHMQJDX-LSDHHAIUSA-N 2 0 349.479 -0.066 20 0 EBADRP CC[C@H]([NH2+][C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1)C(N)=O ZINC000969086315 725149862 /nfs/dbraw/zinc/14/98/62/725149862.db2.gz IMIQQVABMKZHGN-KGLIPLIRSA-N 2 0 340.468 -0.201 20 0 EBADRP O=C(N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)C12CCC[NH+]1CCC2 ZINC000969199947 725161258 /nfs/dbraw/zinc/16/12/58/725161258.db2.gz JBITXRQMDADGGW-CQSZACIVSA-N 2 0 348.447 -0.046 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2O)C1 ZINC000970645823 725310611 /nfs/dbraw/zinc/31/06/11/725310611.db2.gz IRSZOLLMTQQDOR-KFWWJZLASA-N 2 0 338.452 -0.888 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000970717190 725320258 /nfs/dbraw/zinc/32/02/58/725320258.db2.gz KQYYKWIOKOWWSA-UONOGXRCSA-N 2 0 329.466 -0.293 20 0 EBADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC000970745070 725323279 /nfs/dbraw/zinc/32/32/79/725323279.db2.gz IAOJDDLNARZDHP-ZBFHGGJFSA-N 2 0 347.463 -0.224 20 0 EBADRP C[N@H+](CC(=O)N1CCO[C@H](C[NH2+][C@@H]2CCCNC2=O)C1)C1CCC1 ZINC001051654318 735295529 /nfs/dbraw/zinc/29/55/29/735295529.db2.gz LEHLFLFAKIVIOG-HUUCEWRRSA-N 2 0 338.452 -0.434 20 0 EBADRP C[NH+]1CCC(C(=O)N2CC(NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC000991883400 725665652 /nfs/dbraw/zinc/66/56/52/725665652.db2.gz DCQMVQQYTRWQQH-INIZCTEOSA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(NC1CN(C(=O)C23CC[NH+](CC2)C3)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000991891838 725668174 /nfs/dbraw/zinc/66/81/74/725668174.db2.gz WWAUEPBMWOEGJP-OAHLLOKOSA-N 2 0 332.448 -0.249 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC(NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC[N@@H+]1C ZINC000991895885 725670301 /nfs/dbraw/zinc/67/03/01/725670301.db2.gz UGOFARFQCYHCII-WQVCFCJDSA-N 2 0 334.464 -0.005 20 0 EBADRP Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001051697197 735332411 /nfs/dbraw/zinc/33/24/11/735332411.db2.gz AGDSUEMRBRMJSA-OAHLLOKOSA-N 2 0 348.451 -0.240 20 0 EBADRP O=C(c1ccn2c[nH+]cc2c1)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051699140 735334628 /nfs/dbraw/zinc/33/46/28/735334628.db2.gz NYPPQQLUTVCPRF-LSDHHAIUSA-N 2 0 343.387 -0.347 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)nc1=O ZINC000995170715 726180471 /nfs/dbraw/zinc/18/04/71/726180471.db2.gz XHWLJTBJZSJYFW-QWHCGFSZSA-N 2 0 348.451 -0.421 20 0 EBADRP O=C(c1ccc2c[nH+]cn2c1)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051715832 735349339 /nfs/dbraw/zinc/34/93/39/735349339.db2.gz UVPOZEKIBVYBPH-LSDHHAIUSA-N 2 0 343.387 -0.347 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC000976266459 726245770 /nfs/dbraw/zinc/24/57/70/726245770.db2.gz GEJBZCXHHKURFY-ZOFXXKQRSA-N 2 0 346.475 -0.005 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000976285053 726253816 /nfs/dbraw/zinc/25/38/16/726253816.db2.gz MESGCLPMBRDABK-KDEOKCCVSA-N 2 0 334.464 -0.005 20 0 EBADRP C[N@H+](CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1)C1CCC1 ZINC000976533471 726337511 /nfs/dbraw/zinc/33/75/11/726337511.db2.gz QTNJTFLCSSDYHK-UTXMOHQDSA-N 2 0 334.464 -0.005 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000996439779 726393600 /nfs/dbraw/zinc/39/36/00/726393600.db2.gz FFPFBJUWVMCMGP-CZUORRHYSA-N 2 0 334.464 -0.003 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC000976770136 726413187 /nfs/dbraw/zinc/41/31/87/726413187.db2.gz UCMDGDSIVCKNAX-XUWVNRHRSA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@H]([NH2+]C1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1)C(N)=O ZINC000996580092 726419053 /nfs/dbraw/zinc/41/90/53/726419053.db2.gz HYIWRBVCAPIYQG-LBPRGKRZSA-N 2 0 336.440 -0.487 20 0 EBADRP Cn1[nH]c(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)nc1=O ZINC000996610111 726419945 /nfs/dbraw/zinc/41/99/45/726419945.db2.gz JQYBKRYVPVVJFD-NWDGAFQWSA-N 2 0 336.440 -0.613 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000996622371 726420441 /nfs/dbraw/zinc/42/04/41/726420441.db2.gz MGVXKVAUPQOBDZ-CHWSQXEVSA-N 2 0 326.441 -0.733 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CCC([NH2+]CCN2CCNC2=O)CC1)C1CC1 ZINC000996676734 726421898 /nfs/dbraw/zinc/42/18/98/726421898.db2.gz HSWQWSPOIBMOKK-OAHLLOKOSA-N 2 0 337.468 -0.068 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)nc1=O ZINC000996680934 726422051 /nfs/dbraw/zinc/42/20/51/726422051.db2.gz WULRNXWPBHCGQM-AWEZNQCLSA-N 2 0 336.440 -0.471 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC000996998558 726434397 /nfs/dbraw/zinc/43/43/97/726434397.db2.gz KPBPDGGCQONTBG-OCCSQVGLSA-N 2 0 336.436 -0.144 20 0 EBADRP Cn1nnnc1C[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000997831635 726466971 /nfs/dbraw/zinc/46/69/71/726466971.db2.gz WEXHYIDKFKEQEG-OAHLLOKOSA-N 2 0 335.456 -0.122 20 0 EBADRP Cn1[nH]c(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)nc1=O ZINC000998275252 726483217 /nfs/dbraw/zinc/48/32/17/726483217.db2.gz YORFNBFRORTDPA-CYBMUJFWSA-N 2 0 336.440 -0.612 20 0 EBADRP NC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C(F)(F)F ZINC000998318682 726484684 /nfs/dbraw/zinc/48/46/84/726484684.db2.gz XDZLQFLZVVCDSF-WDEREUQCSA-N 2 0 336.358 -0.064 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC000998723889 726495971 /nfs/dbraw/zinc/49/59/71/726495971.db2.gz SMAKOOAHVPTCRL-CABCVRRESA-N 2 0 338.452 -0.480 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CCC[C@H]([NH2+][C@H]3CCNC3=O)C2)n1 ZINC000999181767 726510147 /nfs/dbraw/zinc/51/01/47/726510147.db2.gz MKBSYBRMCZDVRW-KBPBESRZSA-N 2 0 348.451 -0.473 20 0 EBADRP NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000999352944 726515625 /nfs/dbraw/zinc/51/56/25/726515625.db2.gz LHENCBFNZYAQGQ-DZGCQCFKSA-N 2 0 338.452 -0.304 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCOCC2)C1)[NH+](C)C ZINC001000217599 726559923 /nfs/dbraw/zinc/55/99/23/726559923.db2.gz IBVSONOVBYNMEQ-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CCC[C@H]([NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001000570904 726571317 /nfs/dbraw/zinc/57/13/17/726571317.db2.gz HLPGXDNCLPJCIG-DZGCQCFKSA-N 2 0 338.452 -0.434 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001000922365 726583966 /nfs/dbraw/zinc/58/39/66/726583966.db2.gz AQSDWTVZCAPQLX-KBPBESRZSA-N 2 0 336.436 -0.332 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001000935137 726584297 /nfs/dbraw/zinc/58/42/97/726584297.db2.gz MRFCTNWOQPQHEB-ZDUSSCGKSA-N 2 0 337.424 -0.785 20 0 EBADRP CCN1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001000968672 726585599 /nfs/dbraw/zinc/58/55/99/726585599.db2.gz KMUXFMBEJANBEY-LSDHHAIUSA-N 2 0 338.452 -0.480 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001001224290 726597709 /nfs/dbraw/zinc/59/77/09/726597709.db2.gz XLAJPOWZPSVIGB-CVEARBPZSA-N 2 0 334.464 -0.003 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CC(CNC(=O)C23CC[NH+](CC2)C3)C1)C1CC1 ZINC001003334515 726670153 /nfs/dbraw/zinc/67/01/53/726670153.db2.gz WPWHSAUZBICRKJ-HNNXBMFYSA-N 2 0 334.464 -0.003 20 0 EBADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001005185103 726728327 /nfs/dbraw/zinc/72/83/27/726728327.db2.gz PSIOPVHESFBINW-ZIAGYGMSSA-N 2 0 336.436 -0.191 20 0 EBADRP Cn1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3CN(C)CCO3)C2)cc1=O ZINC001007003599 726788665 /nfs/dbraw/zinc/78/86/65/726788665.db2.gz QSDUENDYRLZKCO-CVEARBPZSA-N 2 0 348.447 -0.204 20 0 EBADRP Cc1nccn1CC(=O)N[C@H]1CCCN(CC(=O)N2CCOCC2)C1 ZINC001009524882 726928307 /nfs/dbraw/zinc/92/83/07/726928307.db2.gz QLQDMRLONNACSS-HNNXBMFYSA-N 2 0 349.435 -0.369 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051902360 735454584 /nfs/dbraw/zinc/45/45/84/735454584.db2.gz DAHWYGCOACDAGB-JSGCOSHPSA-N 2 0 347.419 -0.533 20 0 EBADRP CN1CC[C@H]([NH2+]C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CCO2)C1=O ZINC001051902981 735455501 /nfs/dbraw/zinc/45/55/01/735455501.db2.gz NTTCDKLDXQQSAY-KBPBESRZSA-N 2 0 336.436 -0.870 20 0 EBADRP Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)cc1=O ZINC001051932410 735470653 /nfs/dbraw/zinc/47/06/53/735470653.db2.gz PUVIUYWYFGYBTA-INIZCTEOSA-N 2 0 348.447 -0.202 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C2)n1 ZINC001014459114 727957117 /nfs/dbraw/zinc/95/71/17/727957117.db2.gz JZIOWXNQQFGKAN-CQSZACIVSA-N 2 0 346.439 -0.460 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H](N2CC[NH+](CCO)CC2)C1 ZINC001052027609 735510982 /nfs/dbraw/zinc/51/09/82/735510982.db2.gz HTQRFIAZFLSXBX-IRXDYDNUSA-N 2 0 336.480 -0.461 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@H]1CC12CC[NH+]([C@@H]1CCC(=O)NC1=O)CC2 ZINC001016975407 728535400 /nfs/dbraw/zinc/53/54/00/728535400.db2.gz QTWPAIYZMAODEK-KGLIPLIRSA-N 2 0 348.447 -0.142 20 0 EBADRP Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020178650 729091573 /nfs/dbraw/zinc/09/15/73/729091573.db2.gz ANKXNJKCSYTYBO-BHPKHCPMSA-N 2 0 334.424 -0.585 20 0 EBADRP O=C(N[C@H]1C[C@H]([NH2+]CCn2cccn2)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001020178677 729092283 /nfs/dbraw/zinc/09/22/83/729092283.db2.gz AYIUDVDCPDKZQY-KLHDSHLOSA-N 2 0 333.436 -0.017 20 0 EBADRP C[C@H](N[C@H]1C[C@H](NC(=O)[C@@H]2CCn3cncc3C2)C1)c1nnnn1C ZINC001020308643 729129222 /nfs/dbraw/zinc/12/92/22/729129222.db2.gz KTWJRDLDXBUNTB-RNJOBUHISA-N 2 0 344.423 -0.033 20 0 EBADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1)C(N)=O ZINC001020407284 729160459 /nfs/dbraw/zinc/16/04/59/729160459.db2.gz XJUSIPHQMPTLFO-OCEHDEDJSA-N 2 0 336.436 -0.650 20 0 EBADRP O=C(N[C@@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001020406282 729160711 /nfs/dbraw/zinc/16/07/11/729160711.db2.gz OZQRNBJXCHWRGH-QAEIGLEVSA-N 2 0 348.447 -0.635 20 0 EBADRP CN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1=O ZINC001020406999 729160801 /nfs/dbraw/zinc/16/08/01/729160801.db2.gz JWDXNMGKUCEBCH-QAEIGLEVSA-N 2 0 348.447 -0.683 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001020590156 729206110 /nfs/dbraw/zinc/20/61/10/729206110.db2.gz NKXHJTIPVSJWGQ-MGPQQGTHSA-N 2 0 336.436 -0.286 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001021047644 729274998 /nfs/dbraw/zinc/27/49/98/729274998.db2.gz KCLGKKWTNKIBLR-XGUBFFRZSA-N 2 0 343.493 0.000 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001021091421 729282088 /nfs/dbraw/zinc/28/20/88/729282088.db2.gz VSEHCLSVSVLSPO-CYDGBPFRSA-N 2 0 336.440 -0.282 20 0 EBADRP O=C(C[NH2+][C@@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1)N1CCC1 ZINC001022121413 729457669 /nfs/dbraw/zinc/45/76/69/729457669.db2.gz BYCNGPRXJNXGAN-XGUBFFRZSA-N 2 0 336.436 -0.681 20 0 EBADRP Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022121552 729458207 /nfs/dbraw/zinc/45/82/07/729458207.db2.gz FOHJGRPKOJFZOF-RQJABVFESA-N 2 0 334.424 -0.585 20 0 EBADRP O=C(N[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)c1ccc2c[nH+]cn2c1 ZINC001022434644 729493923 /nfs/dbraw/zinc/49/39/23/729493923.db2.gz KSBULGPLGALXBX-MBNYWOFBSA-N 2 0 341.371 -0.010 20 0 EBADRP O=C(N[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)c1ccc2c[nH+]cn2c1 ZINC001022434645 729494073 /nfs/dbraw/zinc/49/40/73/729494073.db2.gz KSBULGPLGALXBX-SCRDCRAPSA-N 2 0 341.371 -0.010 20 0 EBADRP Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)nn1 ZINC001022451495 729495074 /nfs/dbraw/zinc/49/50/74/729495074.db2.gz BLAIOTSESUIYRK-JULPMKOJSA-N 2 0 346.435 -0.585 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)nc1=O ZINC001022490773 729499457 /nfs/dbraw/zinc/49/94/57/729499457.db2.gz PFRPOKALAFMVNL-GUTXKFCHSA-N 2 0 348.451 -0.280 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001022646883 729521346 /nfs/dbraw/zinc/52/13/46/729521346.db2.gz YKVGSYOHDLJPEO-AEGPPILISA-N 2 0 343.493 0.000 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001022713937 729524427 /nfs/dbraw/zinc/52/44/27/729524427.db2.gz NKXHJTIPVSJWGQ-MCIONIFRSA-N 2 0 336.436 -0.286 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001022717181 729524430 /nfs/dbraw/zinc/52/44/30/729524430.db2.gz SDDQTGNBUZYMOZ-IGQOVBAYSA-N 2 0 336.436 -0.430 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001022712628 729524475 /nfs/dbraw/zinc/52/44/75/729524475.db2.gz VVVBKWTZNINKHH-MCIONIFRSA-N 2 0 336.436 -0.144 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCC3)C2)cn1 ZINC001022838552 729536570 /nfs/dbraw/zinc/53/65/70/729536570.db2.gz RADUJAUXHSEFIQ-GASCZTMLSA-N 2 0 348.451 -0.473 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001022975788 729567706 /nfs/dbraw/zinc/56/77/06/729567706.db2.gz URTJWZYYRMJWGJ-LJISPDSOSA-N 2 0 343.493 0.000 20 0 EBADRP O=C(C[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)N1CCOCC1 ZINC001022981495 729569948 /nfs/dbraw/zinc/56/99/48/729569948.db2.gz RHVYBDNSGTXTKR-OKILXGFUSA-N 2 0 336.436 -0.822 20 0 EBADRP C[NH+](C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001023783201 729797525 /nfs/dbraw/zinc/79/75/25/729797525.db2.gz FNJPENABKNMLRJ-MGPQQGTHSA-N 2 0 338.452 -0.890 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nc1=O ZINC001023890041 729812425 /nfs/dbraw/zinc/81/24/25/729812425.db2.gz VKUIXIKVDHHMLG-CHWSQXEVSA-N 2 0 336.440 -0.469 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1=O ZINC001024263332 729867629 /nfs/dbraw/zinc/86/76/29/729867629.db2.gz CPGGFNHMTFPOND-QWHCGFSZSA-N 2 0 336.440 -0.612 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001025160671 730008395 /nfs/dbraw/zinc/00/83/95/730008395.db2.gz QDQJJRUHUVGORW-ZIAGYGMSSA-N 2 0 336.436 -0.142 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21)[C@@H]1C[NH+]2CCC1CC2 ZINC001025787577 730088529 /nfs/dbraw/zinc/08/85/29/730088529.db2.gz UWAUBJSSTXBVFS-OWYFMNJBSA-N 2 0 332.448 -0.347 20 0 EBADRP COC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908379 730104895 /nfs/dbraw/zinc/10/48/95/730104895.db2.gz DSPMHCLWVUFWKO-DGLYNPCGSA-N 2 0 335.448 -0.069 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]21)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908441 730104964 /nfs/dbraw/zinc/10/49/64/730104964.db2.gz NHSPPDPQITXHFU-YQDSAWSOSA-N 2 0 347.459 -0.068 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCCN(C)C4=O)C[C@H]32)C1 ZINC001026043517 730117437 /nfs/dbraw/zinc/11/74/37/730117437.db2.gz IALGXZFMVAZNFQ-KDEOKCCVSA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001026043626 730117550 /nfs/dbraw/zinc/11/75/50/730117550.db2.gz VHHSFRDEOWHRDU-VBTGVMJWSA-N 2 0 334.420 -0.820 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CCO)[C@@H]3C2)cn1 ZINC001026373841 730141396 /nfs/dbraw/zinc/14/13/96/730141396.db2.gz UQWNKOMHSGFYHQ-NUEKZKHPSA-N 2 0 335.452 -0.123 20 0 EBADRP Cn1nnnc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]12 ZINC001026419672 730144258 /nfs/dbraw/zinc/14/42/58/730144258.db2.gz BEEGHHSDHZFRGQ-HZSPNIEDSA-N 2 0 333.440 -0.368 20 0 EBADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CC[C@@H]([NH2+]CCN3CCNC3=O)[C@@H]2C1 ZINC001026420143 730144442 /nfs/dbraw/zinc/14/44/42/730144442.db2.gz DTGBJASZEXLAJG-ARFHVFGLSA-N 2 0 349.479 -0.066 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)nc1=O ZINC001026464526 730145841 /nfs/dbraw/zinc/14/58/41/730145841.db2.gz KKIHHLRJANLSMI-WXRRBKDZSA-N 2 0 336.440 -0.280 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)nc1=O ZINC001026846923 730163091 /nfs/dbraw/zinc/16/30/91/730163091.db2.gz FPSBHMLBTGEFGR-OCCSQVGLSA-N 2 0 348.451 -0.612 20 0 EBADRP C[NH+](C)C1(C(=O)N2CC[C@@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)CCC1 ZINC001026885053 730166944 /nfs/dbraw/zinc/16/69/44/730166944.db2.gz FKGXXXIYARJCGY-STQMWFEESA-N 2 0 336.436 -0.286 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nc1=O ZINC001027172816 730194797 /nfs/dbraw/zinc/19/47/97/730194797.db2.gz DQHLCRRDNOPHCC-GFCCVEGCSA-N 2 0 334.424 -0.858 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC(=O)N2CCOCC2)C1 ZINC001028447037 730293694 /nfs/dbraw/zinc/29/36/94/730293694.db2.gz LFWXIFGQIHGGOE-HUUCEWRRSA-N 2 0 338.452 -0.623 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCN2CCNC2=O)C1 ZINC001028636209 730327920 /nfs/dbraw/zinc/32/79/20/730327920.db2.gz MCVZECCDBGTMJX-HUUCEWRRSA-N 2 0 337.468 -0.066 20 0 EBADRP O=C(NC[C@@H]1CC[N@H+](CCN2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001028932408 730372213 /nfs/dbraw/zinc/37/22/13/730372213.db2.gz HWFGQSQYVPGILQ-AWEZNQCLSA-N 2 0 335.452 -0.455 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2CCN1CCNC1=O ZINC001029475300 730406798 /nfs/dbraw/zinc/40/67/98/730406798.db2.gz YDAUVEAKLAUUIG-JONQDZQNSA-N 2 0 349.479 -0.116 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C[C@@H](O)Cn2cccn2)C1 ZINC001029584572 730411701 /nfs/dbraw/zinc/41/17/01/730411701.db2.gz YNBZBJCMSYNNMN-NCOADZHNSA-N 2 0 347.463 -0.129 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001030020562 730535957 /nfs/dbraw/zinc/53/59/57/730535957.db2.gz LZRWRDMRTDTJOS-IHRRRGAJSA-N 2 0 336.436 -0.144 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001030020563 730535996 /nfs/dbraw/zinc/53/59/96/730535996.db2.gz LZRWRDMRTDTJOS-MJBXVCDLSA-N 2 0 336.436 -0.144 20 0 EBADRP O=C(NCC1C[NH+](C[C@H](O)Cn2cccn2)C1)C12CCC[NH+]1CCC2 ZINC001031811745 730772902 /nfs/dbraw/zinc/77/29/02/730772902.db2.gz AAYWWQYOFYSTRJ-INIZCTEOSA-N 2 0 347.463 -0.080 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001032829870 730940507 /nfs/dbraw/zinc/94/05/07/730940507.db2.gz WGAUBSSIXAFDDM-XHSDSOJGSA-N 2 0 335.452 -0.081 20 0 EBADRP O=C(NC[C@H]1CC[N@H+]1C[C@H](O)Cn1cccn1)C12CC[NH+](CC1)C2 ZINC001038922569 731393144 /nfs/dbraw/zinc/39/31/44/731393144.db2.gz XPNAWQXDNIJLIX-CABCVRRESA-N 2 0 333.436 -0.470 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001039760895 731524787 /nfs/dbraw/zinc/52/47/87/731524787.db2.gz VFKUZNJHWINELI-WMLDXEAASA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@H](C(=O)N1CC[C@](O)(CNC(=O)C[NH+](CC)CC)C1)[NH+](C)C ZINC001039785709 731533753 /nfs/dbraw/zinc/53/37/53/731533753.db2.gz LSYVEFUGXNUXDT-PBHICJAKSA-N 2 0 342.484 -0.252 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001040098756 731596942 /nfs/dbraw/zinc/59/69/42/731596942.db2.gz FCERUVFPUWOXKE-PBHICJAKSA-N 2 0 340.468 -0.500 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001040101160 731599189 /nfs/dbraw/zinc/59/91/89/731599189.db2.gz TVPIGUYIJQYAOL-QGZVFWFLSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)CC[N@H+](C)CC)C1)[NH+](C)C ZINC001040199471 731640896 /nfs/dbraw/zinc/64/08/96/731640896.db2.gz WQKJPTXGQQVZGH-PBHICJAKSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)CC[N@H+](C)CC)C1)[NH+](C)C ZINC001040360298 731713144 /nfs/dbraw/zinc/71/31/44/731713144.db2.gz WQKJPTXGQQVZGH-YOEHRIQHSA-N 2 0 342.484 -0.252 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040451259 731739819 /nfs/dbraw/zinc/73/98/19/731739819.db2.gz SXFGMWOITGRKGK-INIZCTEOSA-N 2 0 328.457 -0.641 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001040494131 731757909 /nfs/dbraw/zinc/75/79/09/731757909.db2.gz ABQACSWTTPGZDD-PBHICJAKSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1)[NH+](C)C ZINC001040718474 731845925 /nfs/dbraw/zinc/84/59/25/731845925.db2.gz LILJMHMSEQHDTM-YOEHRIQHSA-N 2 0 342.484 -0.252 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040718425 731846186 /nfs/dbraw/zinc/84/61/86/731846186.db2.gz KLAPCSPPLVGDLH-INIZCTEOSA-N 2 0 328.457 -0.641 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040921413 731920005 /nfs/dbraw/zinc/92/00/05/731920005.db2.gz BILUAKKNZGYYPW-PBHICJAKSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@@]3(CC[N@H+](CCO)C3)C2)n1 ZINC001041296041 732071886 /nfs/dbraw/zinc/07/18/86/732071886.db2.gz CDEONDHTVPQJKA-QGZVFWFLSA-N 2 0 335.452 -0.025 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1)C1CC1 ZINC001042103466 732314384 /nfs/dbraw/zinc/31/43/84/732314384.db2.gz FPCSVAFORXVVJA-UONOGXRCSA-N 2 0 338.452 -0.890 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001043159869 732795834 /nfs/dbraw/zinc/79/58/34/732795834.db2.gz KNTKBHKHQNCJSB-ZIAGYGMSSA-N 2 0 340.468 -0.785 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001043261721 732848011 /nfs/dbraw/zinc/84/80/11/732848011.db2.gz OTZXIQPHORYARR-ZIAGYGMSSA-N 2 0 340.468 -0.642 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043417206 732924779 /nfs/dbraw/zinc/92/47/79/732924779.db2.gz WJURXLACMSLBDN-OKILXGFUSA-N 2 0 340.468 -0.500 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001043431961 732935986 /nfs/dbraw/zinc/93/59/86/732935986.db2.gz VPIQIYDZYIATKV-UHFFFAOYSA-N 2 0 340.468 -0.500 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001043431969 732936291 /nfs/dbraw/zinc/93/62/91/732936291.db2.gz WCIVDCONFSPIMA-UHFFFAOYSA-N 2 0 340.468 -0.642 20 0 EBADRP C[NH+](C)C1(C(=O)NCC2(O)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001043454966 732949210 /nfs/dbraw/zinc/94/92/10/732949210.db2.gz KRYUVPAVLGXGKV-CYBMUJFWSA-N 2 0 338.452 -0.888 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001043455749 732950267 /nfs/dbraw/zinc/95/02/67/732950267.db2.gz QATGIEOBTURFDM-UHFFFAOYSA-N 2 0 340.468 -0.498 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001043613310 733024101 /nfs/dbraw/zinc/02/41/01/733024101.db2.gz QMWYLKMDBCJCSE-UHFFFAOYSA-N 2 0 342.484 -0.252 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001061651437 738672352 /nfs/dbraw/zinc/67/23/52/738672352.db2.gz PKIMYDJGNXEVIC-GJZGRUSLSA-N 2 0 340.468 -0.236 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001043707902 733069037 /nfs/dbraw/zinc/06/90/37/733069037.db2.gz MDTMDAASSNUFLZ-UHFFFAOYSA-N 2 0 340.468 -0.641 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001043773742 733107068 /nfs/dbraw/zinc/10/70/68/733107068.db2.gz QSMTWBOQYFYWSQ-AWEZNQCLSA-N 2 0 338.452 -0.744 20 0 EBADRP CC[C@@H](C(=O)NCC1(O)CN(C(=O)C2([NH+](C)C)CCC2)C1)[NH+](C)C ZINC001044044907 733261041 /nfs/dbraw/zinc/26/10/41/733261041.db2.gz VTUKRQZCPUULIQ-ZDUSSCGKSA-N 2 0 340.468 -0.500 20 0 EBADRP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001044391289 733412222 /nfs/dbraw/zinc/41/22/22/733412222.db2.gz OUSLZZCJLBEGJT-UHFFFAOYSA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001045043612 733564534 /nfs/dbraw/zinc/56/45/34/733564534.db2.gz IGPSFUYBGCCADI-FRRDWIJNSA-N 2 0 336.440 -0.471 20 0 EBADRP CC1CC[NH+](CC(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001045262010 733640798 /nfs/dbraw/zinc/64/07/98/733640798.db2.gz NHFKKYPWKVWQJL-UHFFFAOYSA-N 2 0 340.468 -0.641 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001045391931 733684534 /nfs/dbraw/zinc/68/45/34/733684534.db2.gz LRWHLFCKPGZFKG-UHFFFAOYSA-N 2 0 340.468 -0.641 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045713404 733757344 /nfs/dbraw/zinc/75/73/44/733757344.db2.gz FSNJGBBCUXPWLJ-UHFFFAOYSA-N 2 0 328.457 -0.641 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045716312 733758020 /nfs/dbraw/zinc/75/80/20/733758020.db2.gz DEXWUPNBMACHKO-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045716750 733758888 /nfs/dbraw/zinc/75/88/88/733758888.db2.gz NMAPLNGMTFLWRP-ZDUSSCGKSA-N 2 0 346.447 -0.693 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045717115 733759286 /nfs/dbraw/zinc/75/92/86/733759286.db2.gz USMZNHXIOIGCKZ-ZIAGYGMSSA-N 2 0 340.468 -0.500 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046075872 733850026 /nfs/dbraw/zinc/85/00/26/733850026.db2.gz HAYXNZABJUZMDR-OAHLLOKOSA-N 2 0 347.463 -0.028 20 0 EBADRP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001046082636 733855475 /nfs/dbraw/zinc/85/54/75/733855475.db2.gz UWPWDZOTTKDIOE-GJZGRUSLSA-N 2 0 337.468 -0.826 20 0 EBADRP CC[C@@H](C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1)[NH+](CC)CC ZINC001046376831 733921160 /nfs/dbraw/zinc/92/11/60/733921160.db2.gz ZBMGIJHDEQWBPG-AWEZNQCLSA-N 2 0 342.484 -0.252 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001046672753 733996609 /nfs/dbraw/zinc/99/66/09/733996609.db2.gz ZFZDVHPMWVKUCU-CQSZACIVSA-N 2 0 340.468 -0.500 20 0 EBADRP C[C@@]1(NC(=O)C23CC[NH+](CC2)C3)CC[N@H+](CCN2CCNC2=O)C1 ZINC001046776649 734025156 /nfs/dbraw/zinc/02/51/56/734025156.db2.gz HDOBUTTUQGHSMV-MRXNPFEDSA-N 2 0 335.452 -0.312 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCN3C(=O)CCC3=O)C2)C1 ZINC001046838143 734038254 /nfs/dbraw/zinc/03/82/54/734038254.db2.gz FPVZTOBSWBJLBJ-DYVFJYSZSA-N 2 0 336.436 -0.332 20 0 EBADRP C[C@@]1(C[NH2+][C@@H]2CCC(=O)NC2=O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001046906767 734059049 /nfs/dbraw/zinc/05/90/49/734059049.db2.gz QBUSZLRCFPQCCQ-DYVFJYSZSA-N 2 0 336.436 -0.284 20 0 EBADRP C[C@@]1(C[NH2+][C@H]2CCC(=O)NC2=O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001046906768 734059134 /nfs/dbraw/zinc/05/91/34/734059134.db2.gz QBUSZLRCFPQCCQ-GUYCJALGSA-N 2 0 336.436 -0.284 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001061862401 738791370 /nfs/dbraw/zinc/79/13/70/738791370.db2.gz SRCSMPQJDMBIGW-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001047595315 734274020 /nfs/dbraw/zinc/27/40/20/734274020.db2.gz BEXKSALYIMYLOG-PMPSAXMXSA-N 2 0 335.452 -0.272 20 0 EBADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001047628763 734290360 /nfs/dbraw/zinc/29/03/60/734290360.db2.gz JMFKLQNWDYAZSU-JYJNAYRXSA-N 2 0 325.453 -0.132 20 0 EBADRP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818738 734523160 /nfs/dbraw/zinc/52/31/60/734523160.db2.gz LRUYMJUYEDXNIP-WCVJEAGWSA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C1)NC1CC1 ZINC001048823805 734525507 /nfs/dbraw/zinc/52/55/07/734525507.db2.gz KKMTZKSWACUABG-UXLLHSPISA-N 2 0 346.475 -0.003 20 0 EBADRP O=C(C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C1)N1CCC1 ZINC001048824107 734526340 /nfs/dbraw/zinc/52/63/40/734526340.db2.gz TXRWURMCGFBOFL-IXDOHACOSA-N 2 0 346.475 -0.049 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1)C1CC1 ZINC001048863791 734544008 /nfs/dbraw/zinc/54/40/08/734544008.db2.gz LFTGILVQHPNHIK-QKPAOTATSA-N 2 0 334.464 -0.005 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001048873358 734549548 /nfs/dbraw/zinc/54/95/48/734549548.db2.gz DKJZRBVKDGDURR-ILXRZTDVSA-N 2 0 340.468 -0.690 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCC3)C[C@@H]2C1 ZINC001049060037 734631423 /nfs/dbraw/zinc/63/14/23/734631423.db2.gz MBKXCGALCXFZNK-CAOSSQGBSA-N 2 0 334.464 -0.193 20 0 EBADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001049115259 734650539 /nfs/dbraw/zinc/65/05/39/734650539.db2.gz IDVPSLQIRWSKNM-KBPBESRZSA-N 2 0 338.452 -0.936 20 0 EBADRP CC1CC[NH+](CC(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@@H]3C2)CC1 ZINC001049131144 734657651 /nfs/dbraw/zinc/65/76/51/734657651.db2.gz GBRGMUMSMMQBOJ-OWCLPIDISA-N 2 0 334.464 -0.003 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[NH+]([C@H]4CCC(=O)NC4=O)C[C@@H]3C2)C1 ZINC001049171074 734674441 /nfs/dbraw/zinc/67/44/41/734674441.db2.gz JQUVIOKNGXVMNJ-XQLPTFJDSA-N 2 0 348.447 -0.476 20 0 EBADRP CN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)C[C@H]4CC[NH+](C)C4)C[C@H]3C2)C1=O ZINC001049172144 734675279 /nfs/dbraw/zinc/67/52/79/734675279.db2.gz TYSBWMUKFQUMFH-WCVJEAGWSA-N 2 0 334.464 -0.051 20 0 EBADRP CN1CCC[C@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@H]3C2)C1=O ZINC001049212236 734686867 /nfs/dbraw/zinc/68/68/67/734686867.db2.gz AFIFRFMAUVHEHV-WCVJEAGWSA-N 2 0 334.464 -0.051 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CCN4CCNC4=O)C[C@@H]3C2)C1 ZINC001049213403 734687564 /nfs/dbraw/zinc/68/75/64/734687564.db2.gz OTMPPNLPNMOWAF-SOUVJXGZSA-N 2 0 335.452 -0.647 20 0 EBADRP CN(C(=O)CC[NH+](C)C)[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1O ZINC001049428226 734727098 /nfs/dbraw/zinc/72/70/98/734727098.db2.gz HAIUFHHHRXMCSB-GJZGRUSLSA-N 2 0 340.468 -0.548 20 0 EBADRP CN(C(=O)CC[NH+](C)C)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1O ZINC001049428429 734727209 /nfs/dbraw/zinc/72/72/09/734727209.db2.gz ITCJBISLHNFUCU-RDBSUJKOSA-N 2 0 326.441 -0.938 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001049435400 734729247 /nfs/dbraw/zinc/72/92/47/734729247.db2.gz LUSJUGPDMLRBGA-KBPBESRZSA-N 2 0 328.457 -0.692 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001049435709 734729742 /nfs/dbraw/zinc/72/97/42/734729742.db2.gz RLEAPCUCGKLRHG-KBPBESRZSA-N 2 0 342.484 -0.302 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001049435869 734729887 /nfs/dbraw/zinc/72/98/87/734729887.db2.gz UXCBPURTSVNOPQ-KBXIAJHMSA-N 2 0 340.468 -0.692 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001049560578 734754824 /nfs/dbraw/zinc/75/48/24/734754824.db2.gz VRNASFZEPLEKIP-ILXRZTDVSA-N 2 0 340.468 -0.548 20 0 EBADRP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCO ZINC001049609965 734765162 /nfs/dbraw/zinc/76/51/62/734765162.db2.gz ILCQBXIBUAPBDU-BFKWJSRZSA-N 2 0 335.448 -0.093 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001050234494 734876087 /nfs/dbraw/zinc/87/60/87/734876087.db2.gz HGUGZBMPXJCAPR-KBPBESRZSA-N 2 0 336.436 -0.284 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001050389439 734896894 /nfs/dbraw/zinc/89/68/94/734896894.db2.gz FLVMRRPLGNYJFV-IHRRRGAJSA-N 2 0 335.456 -0.074 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CC3(C2)CC[NH+](CC(N)=O)CC3)CC1 ZINC001050711499 734949059 /nfs/dbraw/zinc/94/90/59/734949059.db2.gz IYFGKDLYMFOJRC-UHFFFAOYSA-N 2 0 338.452 -0.493 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001051348720 735132696 /nfs/dbraw/zinc/13/26/96/735132696.db2.gz JJBWFIWFQAOFJX-HZSPNIEDSA-N 2 0 336.436 -0.144 20 0 EBADRP COc1cncc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CCO2)n1 ZINC001051493621 735197059 /nfs/dbraw/zinc/19/70/59/735197059.db2.gz OMLQQDNDWLBFLS-CABCVRRESA-N 2 0 349.435 -0.104 20 0 EBADRP Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CCO2)cc1=O ZINC001051494985 735197643 /nfs/dbraw/zinc/19/76/43/735197643.db2.gz YIKCNQBYBUPXNH-HOTGVXAUSA-N 2 0 348.447 -0.204 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001054297497 736187737 /nfs/dbraw/zinc/18/77/37/736187737.db2.gz LZRWRDMRTDTJOS-RDBSUJKOSA-N 2 0 336.436 -0.144 20 0 EBADRP COCC(=O)NCC[NH+]1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001055495051 736356432 /nfs/dbraw/zinc/35/64/32/736356432.db2.gz GPYHIZHWTNIHEM-UHFFFAOYSA-N 2 0 340.468 -0.329 20 0 EBADRP COCC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001055494926 736356669 /nfs/dbraw/zinc/35/66/69/736356669.db2.gz BNKOLRWOUBCBKZ-CQSZACIVSA-N 2 0 326.441 -0.576 20 0 EBADRP CC[C@H](C(=O)NC1CC[NH+](CCNC(=O)COC)CC1)[NH+](C)C ZINC001055495255 736356976 /nfs/dbraw/zinc/35/69/76/736356976.db2.gz MPFBTPAHYGVPOX-CQSZACIVSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001055953369 736567788 /nfs/dbraw/zinc/56/77/88/736567788.db2.gz WVFQLTCWPMYMAQ-QGZVFWFLSA-N 2 0 340.468 -0.496 20 0 EBADRP C[NH+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001057209739 737080508 /nfs/dbraw/zinc/08/05/08/737080508.db2.gz VWCNQFDDTGUZAG-UONOGXRCSA-N 2 0 326.441 -0.888 20 0 EBADRP C[N@H+](CC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[NH+]1C)C1CCC1 ZINC001057213618 737087942 /nfs/dbraw/zinc/08/79/42/737087942.db2.gz LNDJPQIXKWSLDC-HNNXBMFYSA-N 2 0 340.468 -0.498 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001057636082 737375088 /nfs/dbraw/zinc/37/50/88/737375088.db2.gz MPJPUPWCNPPNRK-GJZGRUSLSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001057636618 737377165 /nfs/dbraw/zinc/37/71/65/737377165.db2.gz VLQVKZPPILVLJA-HUUCEWRRSA-N 2 0 340.468 -0.785 20 0 EBADRP O=C(C[NH+]1CCCC1)N(CCO)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001057640586 737381664 /nfs/dbraw/zinc/38/16/64/737381664.db2.gz LTHNEUSMAJQXHB-UHFFFAOYSA-N 2 0 338.452 -0.885 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057642434 737383962 /nfs/dbraw/zinc/38/39/62/737383962.db2.gz NFRJQCPFMXIOFX-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057642962 737384325 /nfs/dbraw/zinc/38/43/25/737384325.db2.gz ZUVWVJXFRLOOFH-OAHLLOKOSA-N 2 0 340.468 -0.496 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCCN(CCO)C(=O)C[NH+]2CCCC2)C1 ZINC001057642832 737384657 /nfs/dbraw/zinc/38/46/57/737384657.db2.gz WNGRBDWYNYPRRT-OAHLLOKOSA-N 2 0 340.468 -0.639 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)C[NH+](CC)CC ZINC001057658825 737395998 /nfs/dbraw/zinc/39/59/98/737395998.db2.gz DANKPVKXCCFDOE-UHFFFAOYSA-N 2 0 344.500 -0.003 20 0 EBADRP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001057659421 737396557 /nfs/dbraw/zinc/39/65/57/737396557.db2.gz OYLHUHKKPUKKSB-HNNXBMFYSA-N 2 0 342.484 -0.393 20 0 EBADRP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)C[N@H+](C)C(C)C ZINC001057660849 737397987 /nfs/dbraw/zinc/39/79/87/737397987.db2.gz HZNOHGDYQRMRMC-UHFFFAOYSA-N 2 0 330.473 -0.395 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001057739274 737427640 /nfs/dbraw/zinc/42/76/40/737427640.db2.gz SQXYTSRSPOIPOA-HUUCEWRRSA-N 2 0 342.484 -0.395 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001057864063 737484936 /nfs/dbraw/zinc/48/49/36/737484936.db2.gz ARVVAKHUTWUVNP-CQSZACIVSA-N 2 0 328.457 -0.785 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001057864358 737485954 /nfs/dbraw/zinc/48/59/54/737485954.db2.gz NZFNUKBAJLQKRJ-INIZCTEOSA-N 2 0 342.484 -0.396 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)C[NH+](C)C1CCC1 ZINC001057903538 737522781 /nfs/dbraw/zinc/52/27/81/737522781.db2.gz NXKHBBTWIYZJMK-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001057942830 737547064 /nfs/dbraw/zinc/54/70/64/737547064.db2.gz WPQHAHLOTWYZAC-UHFFFAOYSA-N 2 0 330.473 -0.395 20 0 EBADRP CC[C@H](C(=O)N(CCO)CCNC(=O)C[NH+](CC)CC)[NH+](C)C ZINC001057975061 737571910 /nfs/dbraw/zinc/57/19/10/737571910.db2.gz DLPHOVSNHGAKDR-CQSZACIVSA-N 2 0 330.473 -0.395 20 0 EBADRP CC[C@@H](C(=O)N(CCO)CCNC(=O)C12CC[NH+](CC1)C2)[NH+](C)C ZINC001058168323 737689428 /nfs/dbraw/zinc/68/94/28/737689428.db2.gz ABGQDLWEXNKCRI-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@H](CC)[NH+](C)C ZINC001058168681 737690635 /nfs/dbraw/zinc/69/06/35/737690635.db2.gz PTRFTYWEBIOAKY-HNNXBMFYSA-N 2 0 344.500 -0.004 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001058250798 737733877 /nfs/dbraw/zinc/73/38/77/737733877.db2.gz IWDPTRLIEDKNFK-MRXNPFEDSA-N 2 0 344.500 -0.149 20 0 EBADRP CCC[NH+](C)CC(=O)N(CCO)CCNC(=O)C[N@@H+](C)CCC ZINC001058253741 737735999 /nfs/dbraw/zinc/73/59/99/737735999.db2.gz GJYRUSPEQCGNLA-UHFFFAOYSA-N 2 0 330.473 -0.393 20 0 EBADRP CCC[N@H+](C)CC(=O)N(CCO)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001058255562 737737862 /nfs/dbraw/zinc/73/78/62/737737862.db2.gz UXNRACXPYWHYBP-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)C1(C[NH+](C)C)CC1 ZINC001058602039 737917496 /nfs/dbraw/zinc/91/74/96/737917496.db2.gz YUEJOCRAARTOIM-UHFFFAOYSA-N 2 0 342.484 -0.393 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058709460 737960424 /nfs/dbraw/zinc/96/04/24/737960424.db2.gz VZFUKKXQNAKXMJ-OAHLLOKOSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058709459 737960580 /nfs/dbraw/zinc/96/05/80/737960580.db2.gz VZFUKKXQNAKXMJ-HNNXBMFYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058710883 737961528 /nfs/dbraw/zinc/96/15/28/737961528.db2.gz SUXCZGKCHAJEGJ-KBPBESRZSA-N 2 0 328.457 -0.927 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)C[NH+]1CCC[C@H]1C ZINC001058844066 738022816 /nfs/dbraw/zinc/02/28/16/738022816.db2.gz SBKPVGBHZUASDI-OAHLLOKOSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)CCOCC(=O)NC1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001062711965 738969939 /nfs/dbraw/zinc/96/99/39/738969939.db2.gz JYVWCGVASHUZQB-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001063719095 739186181 /nfs/dbraw/zinc/18/61/81/739186181.db2.gz XXNUYGSQODAPJO-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001064978314 739456755 /nfs/dbraw/zinc/45/67/55/739456755.db2.gz QNIWATMBZAXFID-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001065257153 739615973 /nfs/dbraw/zinc/61/59/73/739615973.db2.gz PUPNPQTYCKIQIO-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CCO1 ZINC001065260097 739617567 /nfs/dbraw/zinc/61/75/67/739617567.db2.gz IAWFKNNNHTZYCZ-HOCLYGCPSA-N 2 0 340.468 -0.378 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001065406647 739692586 /nfs/dbraw/zinc/69/25/86/739692586.db2.gz MUEIFPNTCHUYJT-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001065409693 739693780 /nfs/dbraw/zinc/69/37/80/739693780.db2.gz MWIBWNQTKYFXRG-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065571918 739768290 /nfs/dbraw/zinc/76/82/90/739768290.db2.gz FGGNWVARWRGKBE-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CN(C(=O)CC[NH+](C)C)CCO2)C1 ZINC001065575749 739772193 /nfs/dbraw/zinc/77/21/93/739772193.db2.gz GNCBVFMKIGUGKL-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001065613941 739801838 /nfs/dbraw/zinc/80/18/38/739801838.db2.gz GPFHEJGPNVWVHD-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H](CNC(=O)CC[NH+](C)C)C2)C1 ZINC001065622982 739811178 /nfs/dbraw/zinc/81/11/78/739811178.db2.gz YHWGLXPMIOJXSU-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC2(C1)CN(C(=O)CC[NH+](C)C)CCO2 ZINC001068454013 740330435 /nfs/dbraw/zinc/33/04/35/740330435.db2.gz HQJRJCWCKGTRGV-UHFFFAOYSA-N 2 0 340.468 -0.282 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001069038263 740527411 /nfs/dbraw/zinc/52/74/11/740527411.db2.gz AEEWWJJRTKXFMH-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070312343 740784016 /nfs/dbraw/zinc/78/40/16/740784016.db2.gz NFWKBJIIBFCZOQ-HIFRSBDPSA-N 2 0 345.407 -0.613 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCO)C2)CC[N@@H+]1C ZINC001070494747 740849200 /nfs/dbraw/zinc/84/92/00/740849200.db2.gz GUWYMGLNUOKCPH-HGTKMLMNSA-N 2 0 335.452 -0.363 20 0 EBADRP Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CCO ZINC001070660433 740913515 /nfs/dbraw/zinc/91/35/15/740913515.db2.gz DUEJGXIKVHZFHA-KFWWJZLASA-N 2 0 335.452 -0.219 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCO)C2)C1 ZINC001070689774 740920827 /nfs/dbraw/zinc/92/08/27/740920827.db2.gz OQXFPQAQIDZGOM-RBSFLKMASA-N 2 0 335.452 -0.362 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001072431839 741397364 /nfs/dbraw/zinc/39/73/64/741397364.db2.gz BDQFZQPYMGHYCT-CABCVRRESA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001072433034 741398706 /nfs/dbraw/zinc/39/87/06/741398706.db2.gz QTLMRQGOJUSSKF-ZIAGYGMSSA-N 2 0 328.457 -0.521 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC3(C2)CC[N@H+](CCCO)C3)n1 ZINC001072746465 741471133 /nfs/dbraw/zinc/47/11/33/741471133.db2.gz OTRZVQYUENOJSN-UHFFFAOYSA-N 2 0 335.452 -0.025 20 0 EBADRP C[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+]([C@H]2CCC(=O)NC2=O)C3)CC1 ZINC001072941216 741525492 /nfs/dbraw/zinc/52/54/92/741525492.db2.gz GEFDICNSRBHKMU-AWEZNQCLSA-N 2 0 348.447 -0.332 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[NH+](CCN2CCNC2=O)C3)C1 ZINC001073425758 741611509 /nfs/dbraw/zinc/61/15/09/741611509.db2.gz GTYJOFIGXRVISY-CQSZACIVSA-N 2 0 335.452 -0.502 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CC[NH+]([C@@H]2CCC(=O)NC2=O)C3)C1 ZINC001073425988 741611647 /nfs/dbraw/zinc/61/16/47/741611647.db2.gz NLQHJDZJEJQFKA-QWHCGFSZSA-N 2 0 334.420 -0.722 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001074565078 742000060 /nfs/dbraw/zinc/00/00/60/742000060.db2.gz RMDUUZIYCISZHU-MELADBBJSA-N 2 0 336.436 -0.191 20 0 EBADRP C[C@H]1[C@@H]([NH2+][C@H]2CCNC2=O)CCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001074656121 742048927 /nfs/dbraw/zinc/04/89/27/742048927.db2.gz WNKADNJSVPOPHT-IHRRRGAJSA-N 2 0 348.451 -0.474 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)[C@@H]1C)[NH+](C)C ZINC001074709516 742081923 /nfs/dbraw/zinc/08/19/23/742081923.db2.gz FXMSSWSXDZNOKD-RWMBFGLXSA-N 2 0 339.440 -0.543 20 0 EBADRP C[C@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001075042365 742166434 /nfs/dbraw/zinc/16/64/34/742166434.db2.gz MCVICGSQBRITQH-XQQFMLRXSA-N 2 0 336.440 -0.471 20 0 EBADRP O=C(N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001076469162 742477397 /nfs/dbraw/zinc/47/73/97/742477397.db2.gz UALCKNZKEAZEAL-LSDHHAIUSA-N 2 0 330.436 -0.093 20 0 EBADRP C[C@@H](CCNC(=O)[C@H](C1CC1)[NH+](C)C)NC(=O)COCC[NH+](C)C ZINC001076956013 742662269 /nfs/dbraw/zinc/66/22/69/742662269.db2.gz CXQOGPWVXBCYJE-BBRMVZONSA-N 2 0 342.484 -0.084 20 0 EBADRP CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014127 742695647 /nfs/dbraw/zinc/69/56/47/742695647.db2.gz DSMBEXNJDUWMOV-NWANDNLSSA-N 2 0 339.440 -0.746 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[C@H](C)NC(=O)COCC[NH+](C)C ZINC001077661623 743149789 /nfs/dbraw/zinc/14/97/89/743149789.db2.gz AMFRSLBWCVZITR-AWEZNQCLSA-N 2 0 330.473 -0.083 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[C@H]([NH2+]CC(N)=O)C23CCC3)cn1 ZINC001078747646 743727801 /nfs/dbraw/zinc/72/78/01/743727801.db2.gz SRPFXWYLBUINRU-UONOGXRCSA-N 2 0 348.451 -0.439 20 0 EBADRP [NH3+]CCS(=O)(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390866480 803775971 /nfs/dbraw/zinc/77/59/71/803775971.db2.gz OTCUORXFQLBTSG-UHFFFAOYSA-N 2 0 326.466 -0.318 20 0 EBADRP C[NH+]1CCC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000976871121 803925619 /nfs/dbraw/zinc/92/56/19/803925619.db2.gz SIIDVOQUQWLZAB-ZSHCYNCHSA-N 2 0 346.475 -0.003 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC(=O)N3CCCC3)C[C@H]21 ZINC000977919304 804564342 /nfs/dbraw/zinc/56/43/42/804564342.db2.gz KBAIFXDFNJKSPT-LVQVYYBASA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1)N1CCC1 ZINC000978148421 804692873 /nfs/dbraw/zinc/69/28/73/804692873.db2.gz SURYSSUNFGXHQQ-VQHPVUNQSA-N 2 0 346.475 -0.146 20 0 EBADRP CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3cncn3C)[C@@H]2C1 ZINC000978706076 804934107 /nfs/dbraw/zinc/93/41/07/804934107.db2.gz CSZNJULGLFAGSX-KSTCHIGDSA-N 2 0 331.420 -0.436 20 0 EBADRP CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC000978849190 805008120 /nfs/dbraw/zinc/00/81/20/805008120.db2.gz ORSNHXVZEJRTCR-QKDCVEJESA-N 2 0 348.451 -0.902 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000978967860 805066052 /nfs/dbraw/zinc/06/60/52/805066052.db2.gz CLMQKNJIQSAQFR-ZIEJDFEHSA-N 2 0 343.431 -0.056 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC(=O)N4CCCC4)C[C@H]32)C1 ZINC000979068320 805118107 /nfs/dbraw/zinc/11/81/07/805118107.db2.gz HWJQTGZRRKXDOR-FPCVCCKLSA-N 2 0 334.464 -0.146 20 0 EBADRP O=C(N[C@@H]1C[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1)C12CCC[NH+]1CCC2 ZINC000984203389 807215418 /nfs/dbraw/zinc/21/54/18/807215418.db2.gz MDFROINSMSHBDU-IHRRRGAJSA-N 2 0 348.447 -0.096 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000984810154 807391810 /nfs/dbraw/zinc/39/18/10/807391810.db2.gz UHSCTYZYQSUJKA-LPWJVIDDSA-N 2 0 336.440 -0.710 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000984889976 807406254 /nfs/dbraw/zinc/40/62/54/807406254.db2.gz SSDAVMQXAALRGL-HDJSIYSDSA-N 2 0 335.456 -0.074 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnnn2C)C1 ZINC000985039853 807430530 /nfs/dbraw/zinc/43/05/30/807430530.db2.gz IUWITVVLLIXMDH-HAQNSBGRSA-N 2 0 344.423 -0.031 20 0 EBADRP C[N@H+](C1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@@H]1CCC(=O)NC1=O ZINC000985792009 807584118 /nfs/dbraw/zinc/58/41/18/807584118.db2.gz LVNDHRKKPXDDDA-CQSZACIVSA-N 2 0 336.436 -0.190 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[NH+](C[C@@H](O)Cn3cccn3)CC2)C1 ZINC000989665432 808552134 /nfs/dbraw/zinc/55/21/34/808552134.db2.gz FDACTEYRAXJTRG-JKSUJKDBSA-N 2 0 335.452 -0.270 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCC[N@@H+](C[C@@H](O)Cn2cccn2)CC1 ZINC000989669334 808552371 /nfs/dbraw/zinc/55/23/71/808552371.db2.gz AQFRQNWTBFSLGP-MRXNPFEDSA-N 2 0 335.452 -0.126 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CC(=O)N2CCOCC2)CC1 ZINC000990278395 808720040 /nfs/dbraw/zinc/72/00/40/808720040.db2.gz RHORCIBTCFRDSV-OAHLLOKOSA-N 2 0 338.452 -0.480 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000991481661 809543217 /nfs/dbraw/zinc/54/32/17/809543217.db2.gz IZXCIOHYNUHFCB-GJZGRUSLSA-N 2 0 338.452 -0.744 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001002086294 809686016 /nfs/dbraw/zinc/68/60/16/809686016.db2.gz GSXJOTXRCQCHSH-HOTGVXAUSA-N 2 0 334.464 -0.003 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH+](CCN3CCNC3=O)C2)C1 ZINC001009204078 810234516 /nfs/dbraw/zinc/23/45/16/810234516.db2.gz UCWMYKYYJPJSRS-CABCVRRESA-N 2 0 337.468 -0.066 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001214343826 810240382 /nfs/dbraw/zinc/24/03/82/810240382.db2.gz HMHUPLHMMBNOBF-UPJWGTAASA-N 2 0 339.440 -0.637 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214855336 810286541 /nfs/dbraw/zinc/28/65/41/810286541.db2.gz CPPUBNUNUCUVQH-MRVWCRGKSA-N 2 0 346.497 -0.688 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215458902 810331524 /nfs/dbraw/zinc/33/15/24/810331524.db2.gz PERGEXJLVZMZFX-RBSFLKMASA-N 2 0 342.484 -0.084 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215540982 810334694 /nfs/dbraw/zinc/33/46/94/810334694.db2.gz TXSQWAXRJVIRSH-YNEHKIRRSA-N 2 0 339.440 -0.780 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001215994110 810353718 /nfs/dbraw/zinc/35/37/18/810353718.db2.gz QOIXCTJPFQUGNH-CHWSQXEVSA-N 2 0 341.456 -0.390 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001216001997 810354621 /nfs/dbraw/zinc/35/46/21/810354621.db2.gz NSLILPJANSCAEP-JHJVBQTASA-N 2 0 341.456 -0.391 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001216090824 810358359 /nfs/dbraw/zinc/35/83/59/810358359.db2.gz PCLAIMTTZFULOZ-TZMCWYRMSA-N 2 0 326.441 -0.720 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001216401938 810371147 /nfs/dbraw/zinc/37/11/47/810371147.db2.gz QSCOCKZKLUUBHN-UKRRQHHQSA-N 2 0 340.468 -0.473 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754535 810385634 /nfs/dbraw/zinc/38/56/34/810385634.db2.gz ZRFKBDXEXVSALY-JHJVBQTASA-N 2 0 339.440 -0.780 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001216854417 810395843 /nfs/dbraw/zinc/39/58/43/810395843.db2.gz YKYFWZBGZPKAGU-IJLUTSLNSA-N 2 0 327.429 -0.654 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001216851903 810395869 /nfs/dbraw/zinc/39/58/69/810395869.db2.gz KYEHOSUTAIXHAD-CHWSQXEVSA-N 2 0 339.440 -0.685 20 0 EBADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1C[C@H]2C[C@@H]1C[NH2+]2 ZINC001218141857 810479242 /nfs/dbraw/zinc/47/92/42/810479242.db2.gz OPTOSJOJAWCUOH-BBBLOLIVSA-N 2 0 336.392 -0.110 20 0 EBADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1C[C@H]2C[NH2+][C@@H]1C2 ZINC001218490705 810494131 /nfs/dbraw/zinc/49/41/31/810494131.db2.gz WZEJWTKHCNHNLO-IVZWLZJFSA-N 2 0 336.392 -0.110 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CCOCC2)cn1 ZINC001218511853 810496947 /nfs/dbraw/zinc/49/69/47/810496947.db2.gz YMWQOIKKRZNGBF-ZDUSSCGKSA-N 2 0 335.408 -0.051 20 0 EBADRP Cn1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)CC[NH+](C)C)[C@H]3C2)cc1=O ZINC001218575226 810506083 /nfs/dbraw/zinc/50/60/83/810506083.db2.gz FQKYOONFDMXSAG-JKSUJKDBSA-N 2 0 348.447 -0.251 20 0 EBADRP Cn1cc(CC[N@@H+]2C[C@H]3OCCN(C(=O)CC[NH+](C)C)[C@H]3C2)cn1 ZINC001218601168 810509573 /nfs/dbraw/zinc/50/95/73/810509573.db2.gz YSIKHWSXVIDAIE-JKSUJKDBSA-N 2 0 335.452 -0.174 20 0 EBADRP Cc1nc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)cc(N2CCOCC2)n1 ZINC001218621514 810512297 /nfs/dbraw/zinc/51/22/97/810512297.db2.gz WACHOQBXCZLNLS-CXAGYDPISA-N 2 0 346.435 -0.241 20 0 EBADRP CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])c1nccnc1N ZINC001218623412 810512455 /nfs/dbraw/zinc/51/24/55/810512455.db2.gz LNVFWHYMGROMBF-RYUDHWBXSA-N 2 0 349.439 -0.531 20 0 EBADRP O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001218639659 810514103 /nfs/dbraw/zinc/51/41/03/810514103.db2.gz FRFYBLDEQSJAKC-ZDUSSCGKSA-N 2 0 342.407 -0.491 20 0 EBADRP Nc1cccnc1N(C(=O)[C@@H]1CCCN1C(=O)C[NH3+])C1CC[NH2+]CC1 ZINC001218694718 810520497 /nfs/dbraw/zinc/52/04/97/810520497.db2.gz BBPCPZHXIXDXBE-AWEZNQCLSA-N 2 0 346.435 -0.302 20 0 EBADRP Nc1cccnc1N(C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)C1CC[NH2+]CC1 ZINC001218694892 810520682 /nfs/dbraw/zinc/52/06/82/810520682.db2.gz DWPQAVUOPCNUKC-ZDUSSCGKSA-N 3 0 330.436 -0.442 20 0 EBADRP Nc1cccnc1N(C(=O)/C=C/C(=O)NCC[NH3+])C1CC[NH2+]CC1 ZINC001218695362 810520690 /nfs/dbraw/zinc/52/06/90/810520690.db2.gz UYBJVRWLANUTFS-ONEGZZNKSA-N 2 0 332.408 -0.620 20 0 EBADRP [NH3+]Cc1cncc(NC(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)c1 ZINC001218704123 810522582 /nfs/dbraw/zinc/52/25/82/810522582.db2.gz KYPNEHIJCHSNBM-GFCCVEGCSA-N 2 0 328.380 -0.584 20 0 EBADRP [NH3+]C1CCN(c2ccc(NC(=O)[C@]34C[NH2+]C[C@@H]3CCN4)cn2)CC1 ZINC001218724579 810523854 /nfs/dbraw/zinc/52/38/54/810523854.db2.gz KIADTYPPWURKQQ-SJCJKPOMSA-N 2 0 330.436 -0.101 20 0 EBADRP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001218727171 810524344 /nfs/dbraw/zinc/52/43/44/810524344.db2.gz UUYYHHZWACYQLV-BXUZGUMPSA-N 2 0 331.376 -0.761 20 0 EBADRP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001218726593 810524414 /nfs/dbraw/zinc/52/44/14/810524414.db2.gz MTJXEFCTGKSIRR-OLZOCXBDSA-N 2 0 333.392 -0.909 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1nc2n[nH]cc2c(Cl)n1 ZINC001218799065 810531953 /nfs/dbraw/zinc/53/19/53/810531953.db2.gz CBRXXIAFNMTJLZ-VIFPVBQESA-N 2 0 338.803 -0.305 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCO[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]21 ZINC001218814776 810534340 /nfs/dbraw/zinc/53/43/40/810534340.db2.gz WXSHJIASKIBMHU-SOUVJXGZSA-N 2 0 338.452 -0.482 20 0 EBADRP O=C(Nc1ccc(N2CC[NH+](CCO)CC2)cc1)[C@H]1[NH2+]CC[C@@H]1O ZINC001218874625 810538889 /nfs/dbraw/zinc/53/88/89/810538889.db2.gz VQHBQNCKQIUAJD-HOTGVXAUSA-N 2 0 334.420 -0.538 20 0 EBADRP O=C(Nc1ccc(N2CC[NH+](CCO)CC2)cc1)[C@H]1C[NH2+]C[C@H]1O ZINC001218872944 810539342 /nfs/dbraw/zinc/53/93/42/810539342.db2.gz DFAQALJKCBSKCF-JKSUJKDBSA-N 2 0 334.420 -0.680 20 0 EBADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001218880178 810539958 /nfs/dbraw/zinc/53/99/58/810539958.db2.gz SPOSAMICPGYKJY-ACJLOTCBSA-N 2 0 343.431 -0.378 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+](CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001015611401 810539970 /nfs/dbraw/zinc/53/99/70/810539970.db2.gz HXXWIHIDLPFXDU-KKUMJFAQSA-N 2 0 337.468 -0.068 20 0 EBADRP COC(=O)c1cc(O)c(OC)cc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218883931 810539999 /nfs/dbraw/zinc/53/99/99/810539999.db2.gz ZKCAXAYLFHURHQ-JTQLQIEISA-N 2 0 335.360 -0.065 20 0 EBADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@H]1C[NH2+]CC[C@H]1O ZINC001218880203 810540271 /nfs/dbraw/zinc/54/02/71/810540271.db2.gz UNRYWJXLDGRUMJ-DZGCQCFKSA-N 2 0 332.404 -0.359 20 0 EBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1cc(S(N)(=O)=O)ccc1N ZINC001218916078 810543811 /nfs/dbraw/zinc/54/38/11/810543811.db2.gz ZUTJCEFXCXSNHU-LBPRGKRZSA-N 2 0 343.453 -0.086 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+](C[C@@H](O)COC)C[C@@H]21 ZINC001218918573 810544656 /nfs/dbraw/zinc/54/46/56/810544656.db2.gz GGLOKTGMXHAVGR-QLFBSQMISA-N 2 0 329.441 -0.753 20 0 EBADRP Nc1ccc(COCCO)c(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1 ZINC001218917290 810545003 /nfs/dbraw/zinc/54/50/03/810545003.db2.gz KLKSLXVBTMIROJ-LBPRGKRZSA-N 2 0 328.438 -0.265 20 0 EBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001218973749 810551491 /nfs/dbraw/zinc/55/14/91/810551491.db2.gz MOIBPWWXZAAGPL-GWCFXTLKSA-N 2 0 347.419 -0.330 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCN3C(=O)CCC3=O)C2)CC1 ZINC001015655513 810556258 /nfs/dbraw/zinc/55/62/58/810556258.db2.gz RCCSIJPFANKJPY-AWEZNQCLSA-N 2 0 336.436 -0.332 20 0 EBADRP O=C(Nc1cccc(N2CC[NH2+]CC2)c1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219117199 810587388 /nfs/dbraw/zinc/58/73/88/810587388.db2.gz YYMUZRRJKTWULM-OAHLLOKOSA-N 2 0 331.420 -0.635 20 0 EBADRP O=C(Nc1cccc(N2CC[NH2+]CC2)c1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219117198 810587854 /nfs/dbraw/zinc/58/78/54/810587854.db2.gz YYMUZRRJKTWULM-HNNXBMFYSA-N 2 0 331.420 -0.635 20 0 EBADRP O=C(N[C@@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1)C12CC[NH+](CC1)C2 ZINC001016001059 810648805 /nfs/dbraw/zinc/64/88/05/810648805.db2.gz HTXDKAHSFVJIAN-CYBMUJFWSA-N 2 0 334.420 -0.578 20 0 EBADRP O=C(N[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001016000439 810648827 /nfs/dbraw/zinc/64/88/27/810648827.db2.gz BMJNKAAVDAHVHH-HUUCEWRRSA-N 2 0 333.436 -0.470 20 0 EBADRP O=C(N[C@@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001016003690 810649977 /nfs/dbraw/zinc/64/99/77/810649977.db2.gz NAPNXQQJGXEWTD-CYBMUJFWSA-N 2 0 349.435 -0.785 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1cccc2c1CC(=O)NC2 ZINC001219369628 810674817 /nfs/dbraw/zinc/67/48/17/810674817.db2.gz JLBUJTQLZHQXED-CQSZACIVSA-N 2 0 331.420 -0.452 20 0 EBADRP NC(=O)c1cc2[nH]ccc2c(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001219417631 810692073 /nfs/dbraw/zinc/69/20/73/810692073.db2.gz YHZMSVZSSBMTET-CYBMUJFWSA-N 2 0 344.419 -0.044 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@H](C[NH3+])OC)NC(=O)[C@]21CC[NH2+]C1 ZINC001219504182 810726812 /nfs/dbraw/zinc/72/68/12/810726812.db2.gz QNJYQKJKNMGMPA-BBRMVZONSA-N 2 0 334.376 -0.209 20 0 EBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2 ZINC001219542283 810741992 /nfs/dbraw/zinc/74/19/92/810741992.db2.gz QFIIBNWRWGPJTI-JKOKRWQUSA-N 2 0 330.388 -0.059 20 0 EBADRP O=C(C[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617680 810773240 /nfs/dbraw/zinc/77/32/40/810773240.db2.gz OHEWGWXJZWRYCD-DARAHFNDSA-N 2 0 329.416 -0.286 20 0 EBADRP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC001033663658 810781007 /nfs/dbraw/zinc/78/10/07/810781007.db2.gz XDYWSBVZMKNHFN-CHWSQXEVSA-N 2 0 337.424 -0.977 20 0 EBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1 ZINC001219640749 810783605 /nfs/dbraw/zinc/78/36/05/810783605.db2.gz BSOKSVRYLDZFHS-IHRRRGAJSA-N 2 0 343.493 -0.237 20 0 EBADRP COCCC[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652331 810785550 /nfs/dbraw/zinc/78/55/50/810785550.db2.gz SICFDHROSQISBX-CABCVRRESA-N 2 0 339.440 -0.744 20 0 EBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC[C@@H]2C[NH2+]C[C@H](C)C2)COC1(C)C ZINC001219650695 810786427 /nfs/dbraw/zinc/78/64/27/810786427.db2.gz PSCNVTFXVPPOMI-VOAKCMCISA-N 2 0 326.441 -0.341 20 0 EBADRP CS(=O)(=O)c1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)nc1 ZINC001219716580 810806901 /nfs/dbraw/zinc/80/69/01/810806901.db2.gz TVINPZUBNHNYKR-IAQYHMDHSA-N 2 0 338.433 -0.700 20 0 EBADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)cc1 ZINC001219736697 810816961 /nfs/dbraw/zinc/81/69/61/810816961.db2.gz FNVRPQWCSIWUOG-KBPBESRZSA-N 2 0 332.404 -0.850 20 0 EBADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001219737013 810817346 /nfs/dbraw/zinc/81/73/46/810817346.db2.gz MSMSNHVHQBWSJS-KBPBESRZSA-N 2 0 345.447 -0.371 20 0 EBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743954 810820909 /nfs/dbraw/zinc/82/09/09/810820909.db2.gz PWWFMGSKVWHPNT-YDHLFZDLSA-N 2 0 340.468 -0.107 20 0 EBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001219748998 810822960 /nfs/dbraw/zinc/82/29/60/810822960.db2.gz GUWRUWOSPRHQBQ-CXAGYDPISA-N 2 0 348.451 -0.064 20 0 EBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001219749166 810823150 /nfs/dbraw/zinc/82/31/50/810823150.db2.gz ISYJTWCGPKFZRP-ZIAGYGMSSA-N 2 0 347.467 -0.539 20 0 EBADRP O=C(NC[C@@]1(F)CCC[NH2+]C1)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219768231 810832832 /nfs/dbraw/zinc/83/28/32/810832832.db2.gz LJBIPQZPOXRSOL-SMDDNHRTSA-N 2 0 337.403 -0.868 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219771299 810835064 /nfs/dbraw/zinc/83/50/64/810835064.db2.gz KSXJEEBDAGUUKJ-NHYWBVRUSA-N 2 0 332.420 -0.547 20 0 EBADRP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219773453 810835137 /nfs/dbraw/zinc/83/51/37/810835137.db2.gz SVHYHKKNTWLYLF-ZDUSSCGKSA-N 2 0 345.451 -0.428 20 0 EBADRP O=C(NCC[C@H]1C[NH2+]Cc2cccn2C1)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001219789717 810841004 /nfs/dbraw/zinc/84/10/04/810841004.db2.gz XMTGVBRPSSCKDF-WFASDCNBSA-N 2 0 331.420 -0.808 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@H]1C[NH2+]Cc2ccsc21 ZINC001219824022 810861506 /nfs/dbraw/zinc/86/15/06/810861506.db2.gz XFURKTLEVSJTBL-JTQLQIEISA-N 2 0 332.451 -0.771 20 0 EBADRP O=C(C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219833848 810868241 /nfs/dbraw/zinc/86/82/41/810868241.db2.gz KWQAHBNXVCCHFC-YCCFLXJFSA-N 2 0 339.436 -0.735 20 0 EBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1CCC2(C[NH2+]C2)O1 ZINC001219833234 810868683 /nfs/dbraw/zinc/86/86/83/810868683.db2.gz AXCMXHMYGOEWEM-IOASZLSFSA-N 2 0 325.409 -0.981 20 0 EBADRP C[NH2+][C@@H]1CCCN(CC(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)C1 ZINC001219837982 810871008 /nfs/dbraw/zinc/87/10/08/810871008.db2.gz NKICMAKDPCBAMT-BFYDXBDKSA-N 2 0 340.468 -0.819 20 0 EBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1C[NH2+]CCC1(F)F ZINC001219836616 810871059 /nfs/dbraw/zinc/87/10/59/810871059.db2.gz AYKFNEJLMBZNBY-BZPMIXESSA-N 2 0 333.379 -0.258 20 0 EBADRP Cc1ccc(S(=O)(=O)N[C@@H](CCCC[NH3+])C(=O)NCC[NH3+])cc1 ZINC001219870388 810888619 /nfs/dbraw/zinc/88/86/19/810888619.db2.gz BJGZGRCLWMMJJW-AWEZNQCLSA-N 2 0 342.465 -0.154 20 0 EBADRP CCOCC[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219874107 810889400 /nfs/dbraw/zinc/88/94/00/810889400.db2.gz ZIIKNBBYLMWXKM-CABCVRRESA-N 2 0 343.468 -0.457 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1CCc2[nH]c(=O)ccc2C1 ZINC001219890495 810896873 /nfs/dbraw/zinc/89/68/73/810896873.db2.gz INMBYZQIDHAMIJ-ZIAGYGMSSA-N 2 0 333.436 -0.489 20 0 EBADRP COCCn1c(=O)ccc2c1CC[C@H](NC(=O)[C@@H]([NH3+])CCC[NH3+])C2 ZINC001219898850 810899472 /nfs/dbraw/zinc/89/94/72/810899472.db2.gz PHEXMVZIJAMRJM-KBPBESRZSA-N 2 0 336.436 -0.466 20 0 EBADRP COCCn1c(=O)ccc2c1CC[C@H](NC(=O)C[NH2+]CCC[NH3+])C2 ZINC001219899464 810900761 /nfs/dbraw/zinc/90/07/61/810900761.db2.gz WUJSLYFVLUJDFI-AWEZNQCLSA-N 2 0 336.436 -0.593 20 0 EBADRP CCN(CC)C(=O)CN1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001219902437 810902051 /nfs/dbraw/zinc/90/20/51/810902051.db2.gz BQCMUQOCZNFPCN-KGLIPLIRSA-N 2 0 342.484 -0.254 20 0 EBADRP CS(=O)(=O)N(C(=O)[C@]1(N)CCC[NH2+]C1)c1ccc(C[NH3+])cc1 ZINC001219939286 810916713 /nfs/dbraw/zinc/91/67/13/810916713.db2.gz YZPSZBNLHCYYIF-AWEZNQCLSA-N 2 0 326.422 -0.481 20 0 EBADRP COC(=O)C1(NC(=O)[C@@H]2Cc3cc(O)ccc3C[NH2+]2)CC[NH2+]CC1 ZINC001219999413 810940233 /nfs/dbraw/zinc/94/02/33/810940233.db2.gz SNPMJUMGLUZDAJ-AWEZNQCLSA-N 2 0 333.388 -0.182 20 0 EBADRP [NH3+]CC1(N(Cc2ccccc2)C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)COC1 ZINC001220020590 810951440 /nfs/dbraw/zinc/95/14/40/810951440.db2.gz OIILUONQZWJQEF-RKVPGOIHSA-N 2 0 330.432 -0.035 20 0 EBADRP N=c1cc(C[NH3+])ncn1C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001220020858 810951509 /nfs/dbraw/zinc/95/15/09/810951509.db2.gz YHOGNXSMKYKTIY-VIFPVBQESA-N 2 0 348.329 -0.362 20 0 EBADRP CC(C)(C)OC(=O)C1(NC(=O)CN2CC[NH2+]CC2)CCC([NH3+])CC1 ZINC001220039860 810957879 /nfs/dbraw/zinc/95/78/79/810957879.db2.gz WJMQBLVMFVCTPQ-UHFFFAOYSA-N 2 0 340.468 -0.010 20 0 EBADRP CCOC(=O)C(=CNC(=O)[C@@H]([NH3+])CSCC[NH3+])C(=O)OCC ZINC001220043313 810958281 /nfs/dbraw/zinc/95/82/81/810958281.db2.gz NLDUVAMHXYGXCG-JTQLQIEISA-N 2 0 333.410 -0.868 20 0 EBADRP Cc1ncc(C[NH3+])c(=N)n1C(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC001220043051 810958842 /nfs/dbraw/zinc/95/88/42/810958842.db2.gz CVCKOTMTCRBAFH-AWEZNQCLSA-N 2 0 342.403 -0.544 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](O)C1 ZINC001220191644 811011046 /nfs/dbraw/zinc/01/10/46/811011046.db2.gz MPVROHGESMTGOI-CRWXNKLISA-N 2 0 326.441 -0.679 20 0 EBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NCC[C@H]2CCC[N@@H+]2C)COC1(C)C ZINC001220254010 811035818 /nfs/dbraw/zinc/03/58/18/811035818.db2.gz JBDODOLTHQJUTC-XQQFMLRXSA-N 2 0 326.441 -0.102 20 0 EBADRP Cc1nc[nH]c1CSCCNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220258633 811038078 /nfs/dbraw/zinc/03/80/78/811038078.db2.gz NQKQZKGBXBHCPA-ZDUSSCGKSA-N 2 0 340.497 -0.182 20 0 EBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)NCCN1CCC[N@H+](C)CC1 ZINC001220307234 811050531 /nfs/dbraw/zinc/05/05/31/811050531.db2.gz VSCPPISRSSPHTQ-ZFWWWQNUSA-N 2 0 327.473 -0.770 20 0 EBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220313371 811051562 /nfs/dbraw/zinc/05/15/62/811051562.db2.gz NTBFQWOJFONZGX-ZDUSSCGKSA-N 2 0 336.440 -0.374 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220315236 811052580 /nfs/dbraw/zinc/05/25/80/811052580.db2.gz AWJNVSWJABVUSV-WSMBLCCSSA-N 2 0 340.468 -0.108 20 0 EBADRP CCOC(=O)C1(NC(=O)CNC2CC[NH2+]CC2)CC[NH+](C)CC1 ZINC001220344723 811064162 /nfs/dbraw/zinc/06/41/62/811064162.db2.gz AUBXPMKNOHJZJP-UHFFFAOYSA-N 2 0 326.441 -0.528 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCC1(O)CCC1 ZINC001220383520 811083194 /nfs/dbraw/zinc/08/31/94/811083194.db2.gz AGEVWNSIEMMHEZ-STQMWFEESA-N 2 0 326.441 -0.535 20 0 EBADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036076217 811090888 /nfs/dbraw/zinc/09/08/88/811090888.db2.gz JLUVQQWPDVCNLU-KGLIPLIRSA-N 2 0 340.468 -0.343 20 0 EBADRP [NH3+][C@H](CCC(=O)OCc1ccccc1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC001220429491 811105046 /nfs/dbraw/zinc/10/50/46/811105046.db2.gz SMKNXKCWRWSEEP-LSDHHAIUSA-N 2 0 335.404 -0.058 20 0 EBADRP NC(=[NH2+])N(C(=O)[C@@H](N)CCC[NH3+])c1ccc(N2CCOCC2)cc1 ZINC001220460716 811117306 /nfs/dbraw/zinc/11/73/06/811117306.db2.gz WJNAXEVPQODBBN-AWEZNQCLSA-N 2 0 334.424 -0.184 20 0 EBADRP C[C@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036212665 811120020 /nfs/dbraw/zinc/12/00/20/811120020.db2.gz YWIASOSIAKSEHZ-JSGCOSHPSA-N 2 0 336.440 -0.630 20 0 EBADRP C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036242921 811127501 /nfs/dbraw/zinc/12/75/01/811127501.db2.gz YGZXBDPOVBKERE-JSGCOSHPSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001036292389 811135600 /nfs/dbraw/zinc/13/56/00/811135600.db2.gz CTWLDOUEFSOSSB-QWHCGFSZSA-N 2 0 336.440 -0.469 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]Cc3ccnn3C2)CC[NH2+]C1 ZINC001220521227 811136552 /nfs/dbraw/zinc/13/65/52/811136552.db2.gz AOQSHFWPGYTQGE-NSHDSACASA-N 2 0 333.392 -0.471 20 0 EBADRP CCOC(=O)C1=C(NC(=O)c2cnc3n2CC[NH2+]CC3)CC[NH2+]C1 ZINC001220525451 811139736 /nfs/dbraw/zinc/13/97/36/811139736.db2.gz DNKHEMIUIFAIKB-UHFFFAOYSA-N 2 0 333.392 -0.431 20 0 EBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001220583623 811165362 /nfs/dbraw/zinc/16/53/62/811165362.db2.gz RLIARZVBHOFHIK-RYUDHWBXSA-N 2 0 330.429 -0.785 20 0 EBADRP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220643125 811185563 /nfs/dbraw/zinc/18/55/63/811185563.db2.gz QXNWRPDAEOLYKZ-CFVMTHIKSA-N 2 0 329.441 -0.707 20 0 EBADRP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220643126 811186398 /nfs/dbraw/zinc/18/63/98/811186398.db2.gz QXNWRPDAEOLYKZ-YUELXQCFSA-N 2 0 329.441 -0.707 20 0 EBADRP COC(=O)CC[C@H]([NH3+])C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220649149 811187875 /nfs/dbraw/zinc/18/78/75/811187875.db2.gz SVAULOHQSYYEMQ-AWEZNQCLSA-N 2 0 334.420 -0.007 20 0 EBADRP O=C(NC[C@@H]1CN(c2ccccc2)CCO1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220736999 811224863 /nfs/dbraw/zinc/22/48/63/811224863.db2.gz YWYZZYKDSKOQCY-HZPDHXFCSA-N 2 0 330.432 -0.183 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001220746237 811225869 /nfs/dbraw/zinc/22/58/69/811225869.db2.gz SLTNVJWIOZGRLC-QGZVFWFLSA-N 3 0 346.479 -0.083 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CC(N)=O)C2)n1 ZINC001036719727 811229690 /nfs/dbraw/zinc/22/96/90/811229690.db2.gz IRJWFPYWTFANNZ-DZGCQCFKSA-N 2 0 348.451 -0.534 20 0 EBADRP C[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC(C)(C)CC[NH3+] ZINC001220765944 811233303 /nfs/dbraw/zinc/23/33/03/811233303.db2.gz IECSUHAWLLNQPT-WOPDTQHZSA-N 2 0 343.472 -0.789 20 0 EBADRP O=C(NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220791403 811243532 /nfs/dbraw/zinc/24/35/32/811243532.db2.gz XRDOJZCVLUEQTP-ZNMIVQPWSA-N 2 0 331.420 -0.821 20 0 EBADRP CCOC(=O)C1(NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ncccc23)C[NH2+]C1 ZINC001220851336 811266813 /nfs/dbraw/zinc/26/68/13/811266813.db2.gz RCZXSXCIHMTLHD-LBPRGKRZSA-N 2 0 331.376 -0.546 20 0 EBADRP CCOC(=O)C1(NC(=O)[C@H]2CO[C@@]3(C2)CCC[NH2+]CC3)C[NH2+]C1 ZINC001220850970 811267167 /nfs/dbraw/zinc/26/71/67/811267167.db2.gz CBGGZVAWKUEYHQ-DOMZBBRYSA-N 2 0 325.409 -0.444 20 0 EBADRP CCOC(=O)C1(NC(=O)c2csc(N3CC[NH2+]CC3)n2)C[NH2+]C1 ZINC001220853255 811268408 /nfs/dbraw/zinc/26/84/08/811268408.db2.gz SMYDBAGFKPSVTD-UHFFFAOYSA-N 2 0 339.421 -0.812 20 0 EBADRP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220859525 811269850 /nfs/dbraw/zinc/26/98/50/811269850.db2.gz BLBALTFDTHUOES-IHRRRGAJSA-N 3 0 341.500 -0.077 20 0 EBADRP O=C(N[C@H]1CCC[NH2+]C1)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1 ZINC001220898477 811286515 /nfs/dbraw/zinc/28/65/15/811286515.db2.gz LEIRTFYHVCUNGQ-FZMZJTMJSA-N 2 0 330.392 -0.128 20 0 EBADRP O=C(CNC(=O)[C@@H]1C[NH2+]CCN1)N1CC[NH+](C2CCCCC2)CC1 ZINC001220900146 811287658 /nfs/dbraw/zinc/28/76/58/811287658.db2.gz BRBARXINDABXRI-HNNXBMFYSA-N 2 0 337.468 -0.859 20 0 EBADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001220936561 811300711 /nfs/dbraw/zinc/30/07/11/811300711.db2.gz HFSATOHYRWJYGE-IAISJRAMSA-N 2 0 344.415 -0.409 20 0 EBADRP COc1cc(C)[nH]c(=O)c1CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001221015646 811344820 /nfs/dbraw/zinc/34/48/20/811344820.db2.gz NLXWLXKWEXMTRL-CYBMUJFWSA-N 2 0 337.424 -0.529 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001221056185 811355769 /nfs/dbraw/zinc/35/57/69/811355769.db2.gz ILAAZFUYRVIAAE-IHRRRGAJSA-N 3 0 330.498 -0.235 20 0 EBADRP CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221116095 811383413 /nfs/dbraw/zinc/38/34/13/811383413.db2.gz LKGMFZUYAUWIJF-GJZGRUSLSA-N 2 0 346.431 -0.030 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001221187588 811409512 /nfs/dbraw/zinc/40/95/12/811409512.db2.gz AVZVUVGYFVVCKP-HIFRSBDPSA-N 3 0 340.468 -0.153 20 0 EBADRP CC(C)CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221187886 811410034 /nfs/dbraw/zinc/41/00/34/811410034.db2.gz JFXNJIZTEWPPIT-HDJSIYSDSA-N 2 0 348.513 -0.039 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001221188367 811410751 /nfs/dbraw/zinc/41/07/51/811410751.db2.gz UBOBEEUZFSQIBS-WWGRRREGSA-N 2 0 327.425 -0.068 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)c1cccnc1N1CC[NH2+]CC1 ZINC001221190469 811412404 /nfs/dbraw/zinc/41/24/04/811412404.db2.gz OWGRZMUPWIUJIK-ZDUSSCGKSA-N 2 0 335.408 -0.499 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]([NH3+])C1CCC2(CC1)OCCO2 ZINC001221190134 811412514 /nfs/dbraw/zinc/41/25/14/811412514.db2.gz CKCVNLUJZXMRGO-QWHCGFSZSA-N 2 0 343.424 -0.356 20 0 EBADRP C[C@@]1([NH3+])C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001221239281 811422705 /nfs/dbraw/zinc/42/27/05/811422705.db2.gz LLQXOPIGAAXAGG-WFGGJUAMSA-N 3 0 325.457 -0.570 20 0 EBADRP COC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001221336714 811443289 /nfs/dbraw/zinc/44/32/89/811443289.db2.gz JYRNDSBGKURALF-HUUCEWRRSA-N 2 0 349.435 -0.968 20 0 EBADRP CC(C)(C)[C@H](CN1CCOCC1)NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001221357308 811445808 /nfs/dbraw/zinc/44/58/08/811445808.db2.gz HCFLSPQLTFXBPB-STQMWFEESA-N 2 0 332.514 -0.131 20 0 EBADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001221365457 811446690 /nfs/dbraw/zinc/44/66/90/811446690.db2.gz DAWKKIVRRRJEMG-QJPTWQEYSA-N 2 0 333.429 -0.783 20 0 EBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CCC(C2=CC=C(N)C[NH2+]2)CC1 ZINC001221393145 811449015 /nfs/dbraw/zinc/44/90/15/811449015.db2.gz XOHUYUVTISLMTR-WHEQGISXSA-N 2 0 326.466 -0.349 20 0 EBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N(CC[NH+](CC)CC)C(N)=[NH2+] ZINC001221390143 811449273 /nfs/dbraw/zinc/44/92/73/811449273.db2.gz APIRKYDLOFULOE-AAEUAGOBSA-N 3 0 328.461 -0.460 20 0 EBADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)CN(CC[NH3+])S(C)(=O)=O)[C@@H](C)C1 ZINC001221409950 811452269 /nfs/dbraw/zinc/45/22/69/811452269.db2.gz VZROIPXFXYZYAU-QWHCGFSZSA-N 2 0 334.486 -0.558 20 0 EBADRP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001221410072 811452630 /nfs/dbraw/zinc/45/26/30/811452630.db2.gz PVXRWEUAIZXVDP-UONOGXRCSA-N 2 0 345.451 -0.572 20 0 EBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@H](C2CCC2)C2C[NH2+]C2)COC1(C)C ZINC001221412785 811452898 /nfs/dbraw/zinc/45/28/98/811452898.db2.gz GEUKANLQDWYJFF-LEWSCRJBSA-N 2 0 338.452 -0.199 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCOCCO)C[C@H]21)C1CC1 ZINC001221616602 811500820 /nfs/dbraw/zinc/50/08/20/811500820.db2.gz RCJZXGAYDCJAPT-BZUAXINKSA-N 2 0 325.453 -0.132 20 0 EBADRP C[NH+](C)CCCC(=O)N1C[C@H]2CC[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001221777232 811533105 /nfs/dbraw/zinc/53/31/05/811533105.db2.gz ZECIVWSSQCUOOJ-HUUCEWRRSA-N 2 0 337.468 -0.114 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001221789163 811536159 /nfs/dbraw/zinc/53/61/59/811536159.db2.gz IJTOKXVFFUQOAN-OWCLPIDISA-N 2 0 335.452 -0.272 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC001222612276 811648035 /nfs/dbraw/zinc/64/80/35/811648035.db2.gz AWYFTPUZFPNOIV-AWEZNQCLSA-N 2 0 346.497 -0.542 20 0 EBADRP CNC(=O)C[NH+]1CCC(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001225442507 811811330 /nfs/dbraw/zinc/81/13/30/811811330.db2.gz LUPUTFCUSVSHAS-CQSZACIVSA-N 2 0 340.468 -0.471 20 0 EBADRP COCCOC[C@H](O)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001226555512 811870002 /nfs/dbraw/zinc/87/00/02/811870002.db2.gz XKIDCZJPLXBPOA-HZPDHXFCSA-N 2 0 343.468 -0.315 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001227081946 811902970 /nfs/dbraw/zinc/90/29/70/811902970.db2.gz ANWCLVSLPNGFIM-JHJVBQTASA-N 2 0 339.440 -0.317 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)C1 ZINC001228603770 811990617 /nfs/dbraw/zinc/99/06/17/811990617.db2.gz UVCDHQSJFKSGDJ-YNEHKIRRSA-N 2 0 339.440 -0.460 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001229355357 812027949 /nfs/dbraw/zinc/02/79/49/812027949.db2.gz YMFOHSVWFXSGGB-HUUCEWRRSA-N 2 0 340.468 -0.140 20 0 EBADRP CC[NH+](CC)CC(=O)NC1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001229686182 812048944 /nfs/dbraw/zinc/04/89/44/812048944.db2.gz QRXYCPPXQJEZBW-UHFFFAOYSA-N 2 0 339.440 -0.539 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001229860500 812060044 /nfs/dbraw/zinc/06/00/44/812060044.db2.gz VCCAIIHQDWPUIO-VXGBXAGGSA-N 2 0 327.429 -0.460 20 0 EBADRP COCCOC[C@@H](O)C[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001230267991 812094771 /nfs/dbraw/zinc/09/47/71/812094771.db2.gz UXNUFPXOGLDVGP-INIZCTEOSA-N 2 0 343.468 -0.313 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC1CC[NH+](CCN(C)S(C)(=O)=O)CC1 ZINC001230374017 812109170 /nfs/dbraw/zinc/10/91/70/812109170.db2.gz GSKOIASZPZKWFS-UHFFFAOYSA-N 2 0 348.513 -0.201 20 0 EBADRP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080940757 812376595 /nfs/dbraw/zinc/37/65/95/812376595.db2.gz GZVQCGSQHCXNOH-BZUAXINKSA-N 2 0 335.452 -0.224 20 0 EBADRP C[NH+]1CCN(c2ccc(CN3CCNC[C@]34CC[NH2+]C4)cn2)CC1 ZINC001234986527 812457737 /nfs/dbraw/zinc/45/77/37/812457737.db2.gz DPLYKKMZOYNZES-GOSISDBHSA-N 2 0 330.480 -0.029 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1Cc1cnc2n1CC[NH2+]CC2 ZINC001235325114 812482618 /nfs/dbraw/zinc/48/26/18/812482618.db2.gz VNDWNYOFTCBOHL-AEGPPILISA-N 2 0 333.436 -0.246 20 0 EBADRP CS(=O)(=O)c1cccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235869304 812514225 /nfs/dbraw/zinc/51/42/25/812514225.db2.gz ARHMFDVMYILQFR-UHFFFAOYSA-N 2 0 340.493 -0.326 20 0 EBADRP c1ccc(N2CC[NH2+]CC2)c(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235871268 812514700 /nfs/dbraw/zinc/51/47/00/812514700.db2.gz RHIXPDDDSKDWJE-UHFFFAOYSA-N 3 0 346.523 -0.319 20 0 EBADRP c1c(CN2CC[NH2+]CCNCC[NH2+]CC2)nnn1Cc1ccccc1 ZINC001235871528 812514769 /nfs/dbraw/zinc/51/47/69/812514769.db2.gz SNCWPMRIRFJYAB-UHFFFAOYSA-N 2 0 343.479 -0.089 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1ccc(OCCO)cc1 ZINC001236308317 812516252 /nfs/dbraw/zinc/51/62/52/812516252.db2.gz JBABNDBIIRGIBA-UHFFFAOYSA-N 2 0 338.452 -0.327 20 0 EBADRP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CCC[C@@H](N4CC([NH3+])C4)C3)[C@@H](O)[C@@H]2O1 ZINC001236074504 812516316 /nfs/dbraw/zinc/51/63/16/812516316.db2.gz ZBUWHGWCFLSGGO-SEBNEYGDSA-N 2 0 327.425 -0.669 20 0 EBADRP COC(=O)[C@H]1CN(Cc2ccc(N3CC[NH2+]CC3)nc2)CC[C@@H]1[NH3+] ZINC001236415086 812518873 /nfs/dbraw/zinc/51/88/73/812518873.db2.gz OASANFSOKAGZBS-GJZGRUSLSA-N 2 0 333.436 -0.187 20 0 EBADRP CCOC(=O)[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238414605 812528538 /nfs/dbraw/zinc/52/85/38/812528538.db2.gz VBTMDRYDNNKPNH-QWHCGFSZSA-N 2 0 333.454 -0.553 20 0 EBADRP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1CN(S(=O)(=O)[C@H]1CC[NH2+]C1)C2 ZINC001239063230 812539692 /nfs/dbraw/zinc/53/96/92/812539692.db2.gz DBXQZWOJHOWEHI-KDBYPZKRSA-N 2 0 343.449 -0.991 20 0 EBADRP C[NH+](C)CCCN1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC001239096543 812544433 /nfs/dbraw/zinc/54/44/33/812544433.db2.gz HBGMMFWBTMKXGA-UHFFFAOYSA-N 2 0 332.514 -0.115 20 0 EBADRP Cc1ccnc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001239130561 812546213 /nfs/dbraw/zinc/54/62/13/812546213.db2.gz DBEICKIXBUFBQD-UHFFFAOYSA-N 2 0 343.453 -0.805 20 0 EBADRP Cc1cccc(S(=O)(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001239131563 812547654 /nfs/dbraw/zinc/54/76/54/812547654.db2.gz RAPSOITVEQLMLP-UHFFFAOYSA-N 2 0 342.465 -0.200 20 0 EBADRP [NH3+]C1CCN(C2CCN(S(=O)(=O)C3CC[NH2+]CC3)CC2)CC1 ZINC001239158935 812549478 /nfs/dbraw/zinc/54/94/78/812549478.db2.gz NJCQOLVAYJJDAM-UHFFFAOYSA-N 2 0 330.498 -0.044 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C(=O)NCC1CCOCC1 ZINC001239298225 812552319 /nfs/dbraw/zinc/55/23/19/812552319.db2.gz XYXVJIOFMRCOLK-UHFFFAOYSA-N 2 0 329.445 -0.762 20 0 EBADRP O[C@@H](C[NH2+]C[C@H]1COC2(C1)CC[NH2+]CC2)CC1(O)CC[NH2+]CC1 ZINC001245980193 812556911 /nfs/dbraw/zinc/55/69/11/812556911.db2.gz NBXGNULLGWDFMZ-LSDHHAIUSA-N 3 0 327.469 -0.400 20 0 EBADRP O[C@H](C[NH2+]CC[C@@H]1CCOC12CC[NH2+]CC2)CC1(O)CC[NH2+]CC1 ZINC001245987330 812558262 /nfs/dbraw/zinc/55/82/62/812558262.db2.gz ZJNGFXBVSTUJSU-CVEARBPZSA-N 3 0 341.496 -0.010 20 0 EBADRP O[C@@H](C[NH2+][C@H]1CCOC2(CC[NH2+]CC2)C1)CC1(O)CC[NH2+]CC1 ZINC001245993345 812558270 /nfs/dbraw/zinc/55/82/70/812558270.db2.gz JFVVROGJSOIROW-LSDHHAIUSA-N 3 0 327.469 -0.257 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1CCN2CC[NH2+]C[C@@H]2C1 ZINC001246028290 812559121 /nfs/dbraw/zinc/55/91/21/812559121.db2.gz MLEXMJCQBNYOPV-IXDOHACOSA-N 2 0 340.418 -0.215 20 0 EBADRP O[C@H](C[N@@H+]1CCOCC2(CC[NH2+]CC2)C1)CC1(O)CC[NH2+]CC1 ZINC001246022292 812559478 /nfs/dbraw/zinc/55/94/78/812559478.db2.gz JGHRNDFYUXEEMC-HNNXBMFYSA-N 3 0 327.469 -0.446 20 0 EBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@H](O)COc1ccc(CCO)cc1 ZINC001246009069 812559870 /nfs/dbraw/zinc/55/98/70/812559870.db2.gz SLBCORYKFJUCSR-HOCLYGCPSA-N 2 0 339.436 -0.466 20 0 EBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001246008011 812560026 /nfs/dbraw/zinc/56/00/26/812560026.db2.gz MONXHGSMILLYJM-SOUVJXGZSA-N 3 0 344.406 -0.232 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN1C[C@H]2C[NH2+]C[C@@H](C1)O2 ZINC001246033228 812560607 /nfs/dbraw/zinc/56/06/07/812560607.db2.gz IGGJXYKVRYXUTN-XUWVNRHRSA-N 2 0 327.375 -0.132 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C[C@@H](O)CC1(O)CC[NH2+]CC1 ZINC001246033609 812561095 /nfs/dbraw/zinc/56/10/95/812561095.db2.gz IXMKODYFBCGMKW-ZQDZILKHSA-N 2 0 341.452 -0.923 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001246033607 812561505 /nfs/dbraw/zinc/56/15/05/812561505.db2.gz IXMKODYFBCGMKW-LJISPDSOSA-N 2 0 341.452 -0.923 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C[C@H](O)CC1(O)CC[NH2+]CC1)CC2 ZINC001246055735 812562310 /nfs/dbraw/zinc/56/23/10/812562310.db2.gz DYTJCVRNRBAYMS-KEYYUXOJSA-N 2 0 341.452 -0.921 20 0 EBADRP O[C@@H](COc1cccc(F)c1)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246053456 812562430 /nfs/dbraw/zinc/56/24/30/812562430.db2.gz IFVXOPOXAYNVHU-MRXNPFEDSA-N 2 0 340.443 -0.350 20 0 EBADRP Cc1ccc(OC[C@@H](O)CN2CC[NH2+]CCNCC[NH2+]CC2)cc1 ZINC001246059040 812562460 /nfs/dbraw/zinc/56/24/60/812562460.db2.gz XVVMSUKGQAZZPW-KRWDZBQOSA-N 2 0 336.480 -0.181 20 0 EBADRP O=C([C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]3C[NH2+]CCN3C2)CN1)N1CCSC1 ZINC001246130452 812564428 /nfs/dbraw/zinc/56/44/28/812564428.db2.gz RYDAHEAURFIEMX-KBXIAJHMSA-N 2 0 339.509 -0.867 20 0 EBADRP O=C([C@@H]1C[C@H]([NH2+]C[C@H]2COC3(C[NH2+]C3)C2)CN1)N1CCSC1 ZINC001246133044 812565887 /nfs/dbraw/zinc/56/58/87/812565887.db2.gz JCPHYECNBDPVQY-AVGNSLFASA-N 2 0 326.466 -0.782 20 0 EBADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)CN1 ZINC001246144544 812566090 /nfs/dbraw/zinc/56/60/90/812566090.db2.gz MYZZPKHMWCHNDB-QBYUYEEZSA-N 2 0 341.452 -0.345 20 0 EBADRP O=C([C@@H]1C[C@@H]([NH2+]C[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)CN1)N1CCSC1 ZINC001246147788 812567394 /nfs/dbraw/zinc/56/73/94/812567394.db2.gz JVHPSFYZRFADIB-ZSAUSMIDSA-N 2 0 340.493 -0.536 20 0 EBADRP O=C([C@@H]1C[C@H](N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)C[NH2+]1)N1CCSC1 ZINC001246153889 812567508 /nfs/dbraw/zinc/56/75/08/812567508.db2.gz ZEYCZXVFZAISDK-HTVCTNPSSA-N 2 0 326.466 -0.641 20 0 EBADRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@H]1CCC2(C[NH2+]C2)C1 ZINC001246217572 812568580 /nfs/dbraw/zinc/56/85/80/812568580.db2.gz UBTVRUHVUHKQHX-INIZCTEOSA-N 3 0 345.484 -0.257 20 0 EBADRP [NH3+]CCCOCCOCCOCCC[NH2+]C1C[C@@H]2COC[C@H](C1)N2 ZINC001246203718 812568644 /nfs/dbraw/zinc/56/86/44/812568644.db2.gz YBHPCAYGDROXCA-ALOPSCKCSA-N 2 0 345.484 -0.116 20 0 EBADRP C[N@H+](CCC[NH3+])CCCN[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246284776 812569508 /nfs/dbraw/zinc/56/95/08/812569508.db2.gz OVIXSTUGLHHLAW-KBPBESRZSA-N 3 0 329.514 -0.490 20 0 EBADRP CC(C)S(=O)(=O)N1CCC([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246266960 812569702 /nfs/dbraw/zinc/56/97/02/812569702.db2.gz LSWAYQNGSJQBSV-AWEZNQCLSA-N 2 0 330.498 -0.127 20 0 EBADRP [NH3+]C[C@]1(O)CCCN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC1 ZINC001246543455 812575103 /nfs/dbraw/zinc/57/51/03/812575103.db2.gz NITKBEFYLAINNP-YDHLFZDLSA-N 2 0 328.482 -0.575 20 0 EBADRP CCOC(=O)CN1CCC([NH2+][C@@H](CCCC[NH3+])C(=O)NC)CC1 ZINC001246512435 812575532 /nfs/dbraw/zinc/57/55/32/812575532.db2.gz MYHLXDJCQHAXDN-AWEZNQCLSA-N 2 0 328.457 -0.153 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]CCN1C1C[C@H]2CC(C(=O)OC)C[C@@H](C1)[NH2+]2 ZINC001246603933 812576837 /nfs/dbraw/zinc/57/68/37/812576837.db2.gz MKJCCWXBBMGZFP-FTGKKSIPSA-N 2 0 339.436 -0.105 20 0 EBADRP CNC(=O)C[N@@H+]1CCCC12CCN([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246706730 812581650 /nfs/dbraw/zinc/58/16/50/812581650.db2.gz LOLNHWTXSYNECC-OAHLLOKOSA-N 2 0 335.496 -0.243 20 0 EBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN([C@H]1CCC[NH2+]C1)CC2 ZINC001246731329 812584917 /nfs/dbraw/zinc/58/49/17/812584917.db2.gz WDFKGFFGSPYONC-INIZCTEOSA-N 2 0 337.512 -0.091 20 0 EBADRP COC(=O)[C@@H]1C[C@@H](C(=O)OC)C[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246823131 812589518 /nfs/dbraw/zinc/58/95/18/812589518.db2.gz NLJNEUFGCNZSLI-UPJWGTAASA-N 2 0 325.409 -0.636 20 0 EBADRP COC(=O)C1C[C@@H]2CC(N3CC[C@H]([NH3+])[C@@H](C(=O)OC)C3)C[C@H](C1)[NH2+]2 ZINC001246939097 812593154 /nfs/dbraw/zinc/59/31/54/812593154.db2.gz BDSKLWRFWNDBGS-AUJGNRQJSA-N 2 0 339.436 -0.119 20 0 EBADRP O=C([C@@H]1C[C@@H](N2CC[C@@]3(C2)C[NH2+]CCO3)C[NH2+]1)N1CCSC1 ZINC001246985870 812594535 /nfs/dbraw/zinc/59/45/35/812594535.db2.gz JEKWKJILMUUAGC-IPYPFGDCSA-N 2 0 326.466 -0.686 20 0 EBADRP O=C([C@@H]1C[C@H](N2CC[C@]3(C2)C[NH2+]CCO3)C[NH2+]1)N1CCSC1 ZINC001246985993 812594578 /nfs/dbraw/zinc/59/45/78/812594578.db2.gz JEKWKJILMUUAGC-KCQAQPDRSA-N 2 0 326.466 -0.686 20 0 EBADRP C[NH+]1CCN(c2cc[nH+]cc2NC[C@H](O)CN2CCOCC2)CC1 ZINC001251008938 812613351 /nfs/dbraw/zinc/61/33/51/812613351.db2.gz BDOWZQMBGIUQJS-HNNXBMFYSA-N 2 0 335.452 -0.062 20 0 EBADRP C[NH+]1CCN(C2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)CC1 ZINC001251015590 812614007 /nfs/dbraw/zinc/61/40/07/812614007.db2.gz MDFCZTBVDNEDFU-QGZVFWFLSA-N 2 0 326.485 -0.609 20 0 EBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@@H+]1C ZINC001253368264 812678265 /nfs/dbraw/zinc/67/82/65/812678265.db2.gz GDLMBBGZMUZMJT-OLZOCXBDSA-N 2 0 336.440 -0.018 20 0 EBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN([C@H]1CC[N@H+](C)C1)CC2 ZINC001255433286 812713778 /nfs/dbraw/zinc/71/37/78/812713778.db2.gz XBPCDFZUAIOBCV-INIZCTEOSA-N 2 0 337.512 -0.139 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001256780777 812739346 /nfs/dbraw/zinc/73/93/46/812739346.db2.gz VRSXTIIXIBICFN-AWEZNQCLSA-N 2 0 328.457 -0.519 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001257605113 812768480 /nfs/dbraw/zinc/76/84/80/812768480.db2.gz VYHRRENXYHNSML-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+]C[C@H](C[NH3+])C(=O)OC ZINC001257920064 812774243 /nfs/dbraw/zinc/77/42/43/812774243.db2.gz RXZPMTOGEXMBGO-QWRGUYRKSA-N 2 0 338.426 -0.920 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001261633122 812954903 /nfs/dbraw/zinc/95/49/03/812954903.db2.gz WZFTVBSIEMTVAA-ZIAGYGMSSA-N 2 0 326.441 -0.712 20 0 EBADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC001262073149 813033780 /nfs/dbraw/zinc/03/37/80/813033780.db2.gz JCUMKMNVDGIENI-RBSFLKMASA-N 2 0 338.452 -0.589 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081504353 813091768 /nfs/dbraw/zinc/09/17/68/813091768.db2.gz ZODWXGMHQSPDCK-CABCVRRESA-N 2 0 340.468 -0.641 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081505251 813092742 /nfs/dbraw/zinc/09/27/42/813092742.db2.gz CZQZGFIESXBFBY-KBPBESRZSA-N 2 0 328.457 -0.785 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[C@H]1C[NH3+] ZINC001262547900 813094272 /nfs/dbraw/zinc/09/42/72/813094272.db2.gz GKOREDCOPGJRIX-NFAWXSAZSA-N 2 0 338.452 -0.591 20 0 EBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC001262551232 813096056 /nfs/dbraw/zinc/09/60/56/813096056.db2.gz QOEUTUKPZUHFIG-KGLIPLIRSA-N 2 0 340.468 -0.201 20 0 EBADRP [NH3+]C1CCN(CCNC(=O)NCCCCCN2CC[NH2+]CC2)CC1 ZINC001262592634 813098307 /nfs/dbraw/zinc/09/83/07/813098307.db2.gz XIACXMICUDRBMQ-UHFFFAOYSA-N 3 0 340.516 -0.216 20 0 EBADRP C[C@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C[C@H](O)C[NH2+]1 ZINC001263103974 813106599 /nfs/dbraw/zinc/10/65/99/813106599.db2.gz RZFCCBRFRBHJQG-FUHWJXTLSA-N 3 0 347.463 -0.177 20 0 EBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCCC[NH+]1CCC(C(=O)OC)CC1 ZINC001263113214 813108115 /nfs/dbraw/zinc/10/81/15/813108115.db2.gz BUYJHWJSTYALER-GXTWGEPZSA-N 2 0 329.441 -0.406 20 0 EBADRP COCC(C)(C)[NH+]1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001263133124 813108234 /nfs/dbraw/zinc/10/82/34/813108234.db2.gz MJNFOJLSTOHBFA-AWEZNQCLSA-N 2 0 340.468 -0.247 20 0 EBADRP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCCC[NH+]1CCC(C(=O)OC)CC1 ZINC001263113216 813108330 /nfs/dbraw/zinc/10/83/30/813108330.db2.gz BUYJHWJSTYALER-OCCSQVGLSA-N 2 0 329.441 -0.406 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001263850133 813127684 /nfs/dbraw/zinc/12/76/84/813127684.db2.gz HHPLIDHLGQLXLG-MCIONIFRSA-N 2 0 346.497 -0.638 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001081553973 813169244 /nfs/dbraw/zinc/16/92/44/813169244.db2.gz PZDNWGAQJGRSEZ-GJZGRUSLSA-N 2 0 342.484 -0.396 20 0 EBADRP C[C@@H](C(N)=O)[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001264666152 813198434 /nfs/dbraw/zinc/19/84/34/813198434.db2.gz GNRRTARMHAWSSS-KBPBESRZSA-N 2 0 328.457 -0.249 20 0 EBADRP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NC[C@H]1CCOC1 ZINC001264971466 813207282 /nfs/dbraw/zinc/20/72/82/813207282.db2.gz TYTWSFNYQMTSIW-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)NC[C@H]1CCOC1 ZINC001264971464 813207719 /nfs/dbraw/zinc/20/77/19/813207719.db2.gz TYTWSFNYQMTSIW-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001264971043 813207990 /nfs/dbraw/zinc/20/79/90/813207990.db2.gz GZMCMKBAAWYQMR-RYUDHWBXSA-N 2 0 327.429 -0.637 20 0 EBADRP C[C@@H](C(N)=O)[N@H+](C)CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001265001441 813216160 /nfs/dbraw/zinc/21/61/60/813216160.db2.gz XARWHPGVVBELSL-ZDUSSCGKSA-N 2 0 328.457 -0.343 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001081575737 813217224 /nfs/dbraw/zinc/21/72/24/813217224.db2.gz YHTWIPJSXWBOIV-CABCVRRESA-N 2 0 340.468 -0.785 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001265007096 813217642 /nfs/dbraw/zinc/21/76/42/813217642.db2.gz DARIFXMYSBAPCW-GFCCVEGCSA-N 2 0 339.440 -0.364 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001265027366 813223110 /nfs/dbraw/zinc/22/31/10/813223110.db2.gz NOZLLPGLTFCWED-LBPRGKRZSA-N 2 0 341.456 -0.390 20 0 EBADRP CCS(=O)(=O)NCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001265316721 813304160 /nfs/dbraw/zinc/30/41/60/813304160.db2.gz BEZULVCTCVSYJY-KBPBESRZSA-N 2 0 346.497 -0.542 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@@H]1O ZINC001081634327 813334358 /nfs/dbraw/zinc/33/43/58/813334358.db2.gz GDJOUVPLGCTSIQ-CABCVRRESA-N 2 0 342.484 -0.395 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)CC)C[C@H]1O ZINC001081634317 813334765 /nfs/dbraw/zinc/33/47/65/813334765.db2.gz GAWFSCLQELLFEU-HUUCEWRRSA-N 2 0 342.484 -0.395 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001081634851 813337621 /nfs/dbraw/zinc/33/76/21/813337621.db2.gz NFBXJLPXQMEFIV-CABCVRRESA-N 2 0 342.484 -0.395 20 0 EBADRP CCC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081635158 813339711 /nfs/dbraw/zinc/33/97/11/813339711.db2.gz QIKBAVUJUGLTNC-LSDHHAIUSA-N 2 0 342.484 -0.395 20 0 EBADRP C[N@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CC(=O)NC(N)=O ZINC001265871677 813393772 /nfs/dbraw/zinc/39/37/72/813393772.db2.gz DMBTZKYOJQYSBT-CHWSQXEVSA-N 2 0 339.440 -0.364 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081703650 813442593 /nfs/dbraw/zinc/44/25/93/813442593.db2.gz SUYNDWHYRXFHDF-LSDHHAIUSA-N 2 0 342.484 -0.396 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081703093 813442620 /nfs/dbraw/zinc/44/26/20/813442620.db2.gz LSQVFSWUKZITFN-UONOGXRCSA-N 2 0 328.457 -0.785 20 0 EBADRP C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCN1C(=O)CCC1=O ZINC001266182305 813473954 /nfs/dbraw/zinc/47/39/54/813473954.db2.gz FJINJNRGLPEPCT-ZDUSSCGKSA-N 2 0 336.436 -0.284 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081731934 813485832 /nfs/dbraw/zinc/48/58/32/813485832.db2.gz AKQYGRFVZKXDEP-UONOGXRCSA-N 2 0 328.457 -0.785 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@H]1O ZINC001081774821 813542480 /nfs/dbraw/zinc/54/24/80/813542480.db2.gz UIUWUQNDZAJSQG-HUUCEWRRSA-N 2 0 342.484 -0.396 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001266599335 813618438 /nfs/dbraw/zinc/61/84/38/813618438.db2.gz HJHHWYYOLWSIGT-XDQVBPFNSA-N 2 0 336.436 -0.097 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001266793622 813671744 /nfs/dbraw/zinc/67/17/44/813671744.db2.gz RGZXFGXIXJJWEJ-ZIAGYGMSSA-N 2 0 348.513 -0.296 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001266880809 813690743 /nfs/dbraw/zinc/69/07/43/813690743.db2.gz OTLKGYZXIHKZAO-CYBMUJFWSA-N 2 0 341.456 -0.116 20 0 EBADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001266927734 813702884 /nfs/dbraw/zinc/70/28/84/813702884.db2.gz LTRJDFRSCDQAHX-NEPJUHHUSA-N 2 0 339.440 -0.495 20 0 EBADRP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001266993377 813723060 /nfs/dbraw/zinc/72/30/60/813723060.db2.gz LAAFTPTWUWNSAA-GFCCVEGCSA-N 2 0 339.440 -0.493 20 0 EBADRP C[N@H+](CC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)C1)C1CCC1 ZINC001267011857 813733354 /nfs/dbraw/zinc/73/33/54/813733354.db2.gz JWEGKPFYJOJPKJ-LBPRGKRZSA-N 2 0 332.470 -0.790 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001267069451 813751493 /nfs/dbraw/zinc/75/14/93/813751493.db2.gz WVLQNBLKXHNQIZ-KGLIPLIRSA-N 2 0 336.436 -0.475 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CC[NH2+]CC(=O)N(C)C1CC1 ZINC001267082009 813754345 /nfs/dbraw/zinc/75/43/45/813754345.db2.gz YGCBNUYANQVIRR-CQSZACIVSA-N 2 0 340.468 -0.377 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001267081247 813754478 /nfs/dbraw/zinc/75/44/78/813754478.db2.gz GRXOTWPKOLGDQQ-UHFFFAOYSA-N 2 0 327.429 -0.634 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC[NH2+]CCN1CCNC1=O ZINC001267109711 813762189 /nfs/dbraw/zinc/76/21/89/813762189.db2.gz KFTCRURUZGXXBP-ZIAGYGMSSA-N 2 0 325.457 -0.068 20 0 EBADRP CC(=O)NCCOCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267280378 813819187 /nfs/dbraw/zinc/81/91/87/813819187.db2.gz ADDXGKMEILETTA-HOTGVXAUSA-N 2 0 340.468 -0.329 20 0 EBADRP CN(CC[NH2+]C[C@H](O)COC1CCOCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267468622 813907025 /nfs/dbraw/zinc/90/70/25/813907025.db2.gz AGVHSASISGSCIL-CABCVRRESA-N 2 0 343.468 -0.457 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)[NH+](C)C ZINC001082589927 813974180 /nfs/dbraw/zinc/97/41/80/813974180.db2.gz UFUGVTWPKDFLER-MGPQQGTHSA-N 2 0 338.452 -0.088 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](CCN3C(=O)CNC3=O)C2)CC1 ZINC001267729205 814011376 /nfs/dbraw/zinc/01/13/76/814011376.db2.gz PGGZNRJFOBNBAD-LBPRGKRZSA-N 2 0 337.424 -0.930 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001082921536 814023615 /nfs/dbraw/zinc/02/36/15/814023615.db2.gz SMPAZPLFIPRRFU-QLFBSQMISA-N 2 0 343.493 -0.047 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC001082920788 814023812 /nfs/dbraw/zinc/02/38/12/814023812.db2.gz DWQRTCFWAGQRII-MGPQQGTHSA-N 2 0 336.436 -0.476 20 0 EBADRP C[C@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268080556 814119359 /nfs/dbraw/zinc/11/93/59/814119359.db2.gz YFLRNDWUGKNRLC-CHWSQXEVSA-N 2 0 334.486 -0.592 20 0 EBADRP CN(CC[N@H+](C)CCN1C(=O)CNC1=O)C(=O)[C@@H]1CCCC[NH+]1C ZINC001268245293 814157079 /nfs/dbraw/zinc/15/70/79/814157079.db2.gz MLSOKYGWWZALER-ZDUSSCGKSA-N 2 0 339.440 -0.587 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCn1cc(Cl)cn1 ZINC001268301044 814177686 /nfs/dbraw/zinc/17/76/86/814177686.db2.gz VYZDAQKDXJLRCL-STQMWFEESA-N 2 0 329.832 -0.303 20 0 EBADRP C[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCn1cncn1)[NH+]1CCCCCC1 ZINC001268323830 814202275 /nfs/dbraw/zinc/20/22/75/814202275.db2.gz KOOPTEUTZFBYLP-GJZGRUSLSA-N 2 0 338.456 -0.391 20 0 EBADRP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001268364473 814222812 /nfs/dbraw/zinc/22/28/12/814222812.db2.gz DTZATSMPJWBADI-OLZOCXBDSA-N 2 0 338.456 -0.034 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CCO[C@@H]3C[N@H+](CCCO)C[C@@H]32)CC1 ZINC001083236362 814227437 /nfs/dbraw/zinc/22/74/37/814227437.db2.gz YBIIFFZWDOMXND-JKSUJKDBSA-N 2 0 341.452 -0.609 20 0 EBADRP C[C@@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268422757 814237714 /nfs/dbraw/zinc/23/77/14/814237714.db2.gz HNRZFJWAASSJNI-KBPBESRZSA-N 2 0 326.441 -0.719 20 0 EBADRP C[C@H](CC[NH2+]CCCN1C(=O)CNC1=O)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268425251 814239432 /nfs/dbraw/zinc/23/94/32/814239432.db2.gz ZPUZOMLRJKXGIH-CHWSQXEVSA-N 2 0 339.440 -0.636 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001268539311 814280197 /nfs/dbraw/zinc/28/01/97/814280197.db2.gz RXWKTQHMYJOOBT-ZRMMWKCHSA-N 2 0 337.424 -0.954 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001268539310 814280628 /nfs/dbraw/zinc/28/06/28/814280628.db2.gz RXWKTQHMYJOOBT-YWVDXFKGSA-N 2 0 337.424 -0.954 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268542414 814281729 /nfs/dbraw/zinc/28/17/29/814281729.db2.gz PNQACDVCGMMCKV-FBVTZJDUSA-N 2 0 339.440 -0.566 20 0 EBADRP C[NH+]1CCC(C(=O)NC/C=C\C[NH2+]CCNS(C)(=O)=O)CC1 ZINC001268586625 814306094 /nfs/dbraw/zinc/30/60/94/814306094.db2.gz FGKPBMMZJAAOFA-ARJAWSKDSA-N 2 0 332.470 -0.861 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268591261 814308137 /nfs/dbraw/zinc/30/81/37/814308137.db2.gz PQCLILOSDOLUCF-VSQXVHSFSA-N 2 0 325.413 -0.954 20 0 EBADRP C[C@H](C[NH2+]CCN1CCNC1=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268657462 814341667 /nfs/dbraw/zinc/34/16/67/814341667.db2.gz WOECIJVXFWDJSQ-CYBMUJFWSA-N 2 0 325.457 -0.020 20 0 EBADRP CC(=O)NCCOCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001268702741 814358092 /nfs/dbraw/zinc/35/80/92/814358092.db2.gz FRUWNGONLFKMKY-OAHLLOKOSA-N 2 0 326.441 -0.719 20 0 EBADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CCN1C(=O)NC(C)(C)C1=O)[NH+](C)C ZINC001268711820 814361559 /nfs/dbraw/zinc/36/15/59/814361559.db2.gz WJKGFLJTDBEHHD-RYUDHWBXSA-N 2 0 341.456 -0.249 20 0 EBADRP CC(C)[C@@H](C(=O)N(C)CCC[NH2+][C@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001268920909 814443072 /nfs/dbraw/zinc/44/30/72/814443072.db2.gz YWAVDSIVECCJAY-JSGCOSHPSA-N 2 0 326.441 -0.184 20 0 EBADRP O=C(N[C@@H]1C[N@H+](CCO)C[C@@H]1O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001083462473 814455749 /nfs/dbraw/zinc/45/57/49/814455749.db2.gz LGIXCPQWTLLJRA-IMJJTQAJSA-N 2 0 325.453 -0.205 20 0 EBADRP CCN1CCO[C@@H](C(=O)N(C)CCC[NH2+]CC(=O)N2CCC2)C1 ZINC001268954823 814456378 /nfs/dbraw/zinc/45/63/78/814456378.db2.gz RKGFEZSFTANWTO-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@@H]2O)CC[N@@H+]1C ZINC001083474934 814469316 /nfs/dbraw/zinc/46/93/16/814469316.db2.gz ILBGXGHCVRJPPH-HZMVEIRTSA-N 2 0 349.479 -0.146 20 0 EBADRP C[NH+](C)CCN1CC2(CN(C(=O)[C@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001269173188 814565150 /nfs/dbraw/zinc/56/51/50/814565150.db2.gz RVAPMIXIKZGKNW-AWEZNQCLSA-N 2 0 338.452 -0.670 20 0 EBADRP C[C@H](C(=O)N1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2)[NH+]1CCCC1 ZINC001269248902 814594621 /nfs/dbraw/zinc/59/46/21/814594621.db2.gz USAXACOELFGSBE-CQSZACIVSA-N 2 0 338.452 -0.528 20 0 EBADRP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1 ZINC001083668921 814676424 /nfs/dbraw/zinc/67/64/24/814676424.db2.gz MEDKOFBIFZJGQB-XKQJLSEDSA-N 2 0 335.448 -0.054 20 0 EBADRP C[C@@H](C(=O)N1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1)[NH+](C)C ZINC001269797029 815608136 /nfs/dbraw/zinc/60/81/36/815608136.db2.gz OJGKPHIZIUTUOY-SUMWQHHRSA-N 2 0 338.452 -0.134 20 0 EBADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)CC1 ZINC001083832915 815638220 /nfs/dbraw/zinc/63/82/20/815638220.db2.gz AIFYRBZMHAOAQZ-CVEARBPZSA-N 2 0 335.452 -0.224 20 0 EBADRP C[NH+](C)CCCCC(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)NC(N)=O)CC1 ZINC001270036190 815666949 /nfs/dbraw/zinc/66/69/49/815666949.db2.gz MLPQRJCVVYZIOA-JOCQHMNTSA-N 2 0 341.456 -0.070 20 0 EBADRP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)cn1 ZINC001083958485 815740942 /nfs/dbraw/zinc/74/09/42/815740942.db2.gz JDCYAQMQFWIEQR-CVEARBPZSA-N 2 0 347.463 -0.297 20 0 EBADRP O=C(N[C@@H]1C[N@@H+](C[C@@H]2CCc3ncnn32)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959550 815742202 /nfs/dbraw/zinc/74/22/02/815742202.db2.gz YOORMWREFQYXSM-MJBXVCDLSA-N 2 0 346.435 -0.978 20 0 EBADRP C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001271013543 815957262 /nfs/dbraw/zinc/95/72/62/815957262.db2.gz PKBQSIYOYGVDGI-QWHCGFSZSA-N 2 0 339.440 -0.541 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC001084831601 815991560 /nfs/dbraw/zinc/99/15/60/815991560.db2.gz RZEUZDFLKQNFHI-RBSFLKMASA-N 2 0 348.447 -0.380 20 0 EBADRP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001084992923 816008004 /nfs/dbraw/zinc/00/80/04/816008004.db2.gz ZXXQHMMIIAJKLN-OWQJAQGESA-N 2 0 335.448 -0.235 20 0 EBADRP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)C12CC[NH+](CC1)CC2 ZINC001271290321 816064686 /nfs/dbraw/zinc/06/46/86/816064686.db2.gz JCNCTGBTFMCWCN-IYBDPMFKSA-N 2 0 336.480 -0.055 20 0 EBADRP O=C(NC[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001086093488 816227860 /nfs/dbraw/zinc/22/78/60/816227860.db2.gz RRHIHRBQOCMZML-QKPAOTATSA-N 2 0 348.451 -0.374 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001086122280 816238485 /nfs/dbraw/zinc/23/84/85/816238485.db2.gz DONHTCRDARQDPI-XJFOESAGSA-N 2 0 336.436 -0.240 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086122172 816238557 /nfs/dbraw/zinc/23/85/57/816238557.db2.gz ZHJKDOJXBJWYDK-QLFBSQMISA-N 2 0 337.468 -0.020 20 0 EBADRP O=C(NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001086153215 816249885 /nfs/dbraw/zinc/24/98/85/816249885.db2.gz YTCDLSGPKLKELD-OASYKEQNSA-N 2 0 348.447 -0.778 20 0 EBADRP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001271939558 816259693 /nfs/dbraw/zinc/25/96/93/816259693.db2.gz FWJUXZLWUBDBCL-ZACQAIPSSA-N 2 0 336.480 -0.199 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H](C)C(N)=O)C2)C1 ZINC001086177548 816261896 /nfs/dbraw/zinc/26/18/96/816261896.db2.gz YRABLHZMGCRGMG-MQYQWHSLSA-N 2 0 326.441 -0.546 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001086198598 816267790 /nfs/dbraw/zinc/26/77/90/816267790.db2.gz YWFHZFYWNZRXAH-FVCCEPFGSA-N 2 0 336.440 -0.710 20 0 EBADRP Cc1nnc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)[nH]1 ZINC001086373201 816310812 /nfs/dbraw/zinc/31/08/12/816310812.db2.gz PBKWLUUOTVZKJD-AJNGGQMLSA-N 2 0 348.451 -0.039 20 0 EBADRP O=C(NC[C@H]1C[C@H]([NH2+]CCn2cncn2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001086373280 816311524 /nfs/dbraw/zinc/31/15/24/816311524.db2.gz RRHIHRBQOCMZML-FPCVCCKLSA-N 2 0 348.451 -0.374 20 0 EBADRP NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001086425454 816332028 /nfs/dbraw/zinc/33/20/28/816332028.db2.gz YUAZHWFQRCDLAV-HAQNSBGRSA-N 2 0 328.376 -0.149 20 0 EBADRP CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1)C(N)=O ZINC001086456744 816344149 /nfs/dbraw/zinc/34/41/49/816344149.db2.gz USVVOAZRNBNYSQ-AJNGGQMLSA-N 2 0 340.468 -0.156 20 0 EBADRP CN(C)C(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001272196863 816347987 /nfs/dbraw/zinc/34/79/87/816347987.db2.gz PYNQRXODJXGGHD-CABCVRRESA-N 2 0 340.468 -0.498 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001086552148 816372871 /nfs/dbraw/zinc/37/28/71/816372871.db2.gz WULJCVHBMAYJLN-APIJFGDWSA-N 2 0 343.493 -0.143 20 0 EBADRP Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001086697437 816394635 /nfs/dbraw/zinc/39/46/35/816394635.db2.gz AWENRIJBTFMLKV-CFVMTHIKSA-N 2 0 347.467 -0.074 20 0 EBADRP Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001086697438 816395271 /nfs/dbraw/zinc/39/52/71/816395271.db2.gz AWENRIJBTFMLKV-NWANDNLSSA-N 2 0 347.467 -0.074 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]CCn2cc(Cl)cn2)CC[N@@H+]1C ZINC001272426803 816428733 /nfs/dbraw/zinc/42/87/33/816428733.db2.gz XHUIVFHVFRTQMN-MRVWCRGKSA-N 2 0 343.859 -0.057 20 0 EBADRP COC(=O)CCC[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001272498461 816447123 /nfs/dbraw/zinc/44/71/23/816447123.db2.gz NAXJRCUPQURBBO-INIZCTEOSA-N 2 0 327.425 -0.196 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]CCN2CCCC2=O)C1 ZINC001272519626 816453321 /nfs/dbraw/zinc/45/33/21/816453321.db2.gz CRHRSVVLBVDEMF-KGLIPLIRSA-N 2 0 326.441 -0.983 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001272566474 816477492 /nfs/dbraw/zinc/47/74/92/816477492.db2.gz XMTSFXIAXUTODZ-OLZOCXBDSA-N 2 0 341.456 -0.390 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCN1CCCC1=O ZINC001272583799 816486292 /nfs/dbraw/zinc/48/62/92/816486292.db2.gz KEYXEIUULCSBLF-GJZGRUSLSA-N 2 0 340.468 -0.450 20 0 EBADRP C[NH+](C)[C@H]1C[C@@H](C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](C)C[C@H]23)C1 ZINC001272614534 816493233 /nfs/dbraw/zinc/49/32/33/816493233.db2.gz XLFFFRWXNCAMIW-LXTVHRRPSA-N 2 0 334.464 -0.005 20 0 EBADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](CCN3CCOCC3)C2)OCC1=O ZINC001272662012 816501987 /nfs/dbraw/zinc/50/19/87/816501987.db2.gz UMORICFZFPTQPD-QGZVFWFLSA-N 2 0 340.468 -0.817 20 0 EBADRP C[C@H](CC[NH2+]CCN1CCCC1=O)NC(=O)[C@@H]1CN(C)CCO1 ZINC001272704678 816509294 /nfs/dbraw/zinc/50/92/94/816509294.db2.gz TYLRXSGJVLOORG-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001272863723 816541215 /nfs/dbraw/zinc/54/12/15/816541215.db2.gz AKLONKMWFNJCGD-CHWSQXEVSA-N 2 0 341.456 -0.199 20 0 EBADRP O=C1CC[C@H](CN2C(=O)COCC23C[NH+](CC2CC[NH2+]CC2)C3)N1 ZINC001273029350 816570385 /nfs/dbraw/zinc/57/03/85/816570385.db2.gz BMRNEQSGIZHCQY-CQSZACIVSA-N 2 0 336.436 -0.822 20 0 EBADRP O=C(C[N@H+]1CC[C@H](O)C1)N1CC2(C1)CC[NH+](CCn1ccnc1)C2 ZINC001273069317 816577261 /nfs/dbraw/zinc/57/72/61/816577261.db2.gz HYXSFMOVCNZXRG-HNNXBMFYSA-N 2 0 333.436 -0.516 20 0 EBADRP CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001273069663 816577484 /nfs/dbraw/zinc/57/74/84/816577484.db2.gz MDRPSMJMSYJPIG-DKUMPPAJSA-N 2 0 338.452 -0.747 20 0 EBADRP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC3(CN(CC[NH+](C)C)C3)C2)C1 ZINC001273085117 816584006 /nfs/dbraw/zinc/58/40/06/816584006.db2.gz ITMLKHBXNKWIKE-AWEZNQCLSA-N 2 0 338.452 -0.813 20 0 EBADRP O=C(N1CCO[C@H](C[NH2+]CCOCCO)C1)C12CCC[NH+]1CCC2 ZINC001273286564 816633273 /nfs/dbraw/zinc/63/32/73/816633273.db2.gz UYZLFZJWMUWFII-OAHLLOKOSA-N 2 0 341.452 -0.559 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001273351251 816651884 /nfs/dbraw/zinc/65/18/84/816651884.db2.gz NPGFQMQAHHBZSU-CQSZACIVSA-N 2 0 341.456 -0.830 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CCCCC[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001088406817 816677961 /nfs/dbraw/zinc/67/79/61/816677961.db2.gz FXCFCQUHJOPPDX-AWEZNQCLSA-N 2 0 340.468 -0.057 20 0 EBADRP CCOC(=O)C[C@H](O)C[N@@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001273899157 816802762 /nfs/dbraw/zinc/80/27/62/816802762.db2.gz TZCCFMAXSUIDKZ-WMLDXEAASA-N 2 0 341.452 -0.071 20 0 EBADRP CCN1CCO[C@H](C(=O)N2CCC[C@](CO)([NH2+]CCCOC)C2)C1 ZINC001273937523 816815594 /nfs/dbraw/zinc/81/55/94/816815594.db2.gz UMRNDSPGSSKQBI-RDJZCZTQSA-N 2 0 343.468 -0.313 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2(C[NH2+]CCOCCO)CCOCC2)C1 ZINC001274014076 816840452 /nfs/dbraw/zinc/84/04/52/816840452.db2.gz FKXVINJZLNRTPN-CQSZACIVSA-N 2 0 329.441 -0.798 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001274076493 816861719 /nfs/dbraw/zinc/86/17/19/816861719.db2.gz PSTVGDDQJYMFIZ-LSMGEYOZSA-N 2 0 336.436 -0.072 20 0 EBADRP CN(C)C(=O)C[NH2+]C/C=C\CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001274124925 816873598 /nfs/dbraw/zinc/87/35/98/816873598.db2.gz LFIXGCZEWYPKHF-WAYWQWQTSA-N 2 0 340.468 -0.305 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC(=O)N1CCOCC1 ZINC001274132668 816878032 /nfs/dbraw/zinc/87/80/32/816878032.db2.gz CURQTOACGIIMAC-ABCZVMIZSA-N 2 0 338.452 -0.409 20 0 EBADRP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001274209180 816895268 /nfs/dbraw/zinc/89/52/68/816895268.db2.gz YPFFKBPBVBCCNC-JSGCOSHPSA-N 2 0 346.497 -0.544 20 0 EBADRP CN1CCO[C@@H](C(=O)N2CCC(C)([NH2+]CCOCCO)CC2)C1 ZINC001274327268 816933529 /nfs/dbraw/zinc/93/35/29/816933529.db2.gz ZDVZFWDTTVOZNL-CQSZACIVSA-N 2 0 329.441 -0.703 20 0 EBADRP CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+]2CCCC2)C1 ZINC001089908225 816937049 /nfs/dbraw/zinc/93/70/49/816937049.db2.gz RJCFEFVCMXSAJD-VGWMRTNUSA-N 2 0 334.464 -0.003 20 0 EBADRP CCOC[C@@H](O)C[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274568281 817015256 /nfs/dbraw/zinc/01/52/56/817015256.db2.gz VJAMMAMYEPGIPR-WMLDXEAASA-N 2 0 341.452 -0.214 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC/C=C\CNCc1nncn1C ZINC001274577556 817019378 /nfs/dbraw/zinc/01/93/78/817019378.db2.gz ATPVBBOQEDUMSH-VQTKUKTRSA-N 2 0 336.440 -0.455 20 0 EBADRP Cn1nccc1CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001274580795 817022265 /nfs/dbraw/zinc/02/22/65/817022265.db2.gz KZHZVPCTRZQRCD-HNNXBMFYSA-N 2 0 349.479 -0.143 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274643735 817054654 /nfs/dbraw/zinc/05/46/54/817054654.db2.gz VOIUIYIUYGPLTD-BBRMVZONSA-N 2 0 327.425 -0.604 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001275916099 817313853 /nfs/dbraw/zinc/31/38/53/817313853.db2.gz UNJQZCWNJBYPGD-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H](C[NH2+]CCCN(C)C(=O)[C@H]1CN(C)CCO1)CS(C)(=O)=O ZINC001275931231 817319571 /nfs/dbraw/zinc/31/95/71/817319571.db2.gz UGXSNPNCYJZEBS-UONOGXRCSA-N 2 0 349.497 -0.564 20 0 EBADRP CN1CCO[C@@H](C(=O)NC2(C[NH2+]CCOCCO)CCCCC2)C1 ZINC001276188846 817370225 /nfs/dbraw/zinc/37/02/25/817370225.db2.gz ZJKPPOZWXADFSC-OAHLLOKOSA-N 2 0 343.468 -0.265 20 0 EBADRP Cn1cc(C[N@@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c(=O)n(C)c1=O ZINC001276321419 817385909 /nfs/dbraw/zinc/38/59/09/817385909.db2.gz JRDMZGAMUCXDKJ-DZGCQCFKSA-N 2 0 335.452 -0.848 20 0 EBADRP O=C(N[C@H]1CC[N@@H+](CCO)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001090425111 817391182 /nfs/dbraw/zinc/39/11/82/817391182.db2.gz KWHRCUPOYYUPFZ-ZFWWWQNUSA-N 2 0 331.376 -0.575 20 0 EBADRP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CCN2C(=O)CCC2=O)C1 ZINC001276459812 817408291 /nfs/dbraw/zinc/40/82/91/817408291.db2.gz FJSCGSFHKAWRQQ-ZDUSSCGKSA-N 2 0 336.436 -0.332 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCn3cccn3)C[C@@H]2O)CC1 ZINC001090537589 817520646 /nfs/dbraw/zinc/52/06/46/817520646.db2.gz MQSKFUIQGJLFMX-CVEARBPZSA-N 2 0 335.452 -0.224 20 0 EBADRP C[C@@H](CCC[NH2+]CC(=O)N(C)C1CC1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001277157061 817524169 /nfs/dbraw/zinc/52/41/69/817524169.db2.gz UGQHFMJNBBWWOK-ZFWWWQNUSA-N 2 0 340.468 -0.188 20 0 EBADRP Cc1cncn1CC(=O)N[C@H](C)CCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001277247515 817538222 /nfs/dbraw/zinc/53/82/22/817538222.db2.gz VYPUQARSHPMMEA-ZYHUDNBSSA-N 2 0 338.412 -0.351 20 0 EBADRP C[NH+](C)CCNC(=S)N1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001277452528 817571603 /nfs/dbraw/zinc/57/16/03/817571603.db2.gz UWDJVMRADNAPBG-KBPBESRZSA-N 2 0 329.514 -0.631 20 0 EBADRP C[N@H+](CCOCCNC(=O)C12CC[NH+](CC1)C2)[C@@H]1CCCNC1=O ZINC001277535622 817595293 /nfs/dbraw/zinc/59/52/93/817595293.db2.gz QTCQBMCBMOGZIY-CQSZACIVSA-N 2 0 338.452 -0.575 20 0 EBADRP CN1CCC[C@H]([N@H+](C)CCOCCNC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001277542589 817596117 /nfs/dbraw/zinc/59/61/17/817596117.db2.gz VWDJRWWCILWLEI-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCOCCC[NH2+][C@@H]1CCCNC1=O ZINC001277603599 817606364 /nfs/dbraw/zinc/60/63/64/817606364.db2.gz GNFZXFSMUPIRLQ-ZIAGYGMSSA-N 2 0 326.441 -0.528 20 0 EBADRP CC(=O)NCCOCCN1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001277682748 817623762 /nfs/dbraw/zinc/62/37/62/817623762.db2.gz WBYKPJDQQHXNRM-OAHLLOKOSA-N 2 0 340.468 -0.377 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001277916520 817655847 /nfs/dbraw/zinc/65/58/47/817655847.db2.gz KMXBYUYVHWUNPC-CHWSQXEVSA-N 2 0 337.424 -0.787 20 0 EBADRP O=C(N[C@H]1CC[N@@H+](CCn2cccn2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001090731610 817706712 /nfs/dbraw/zinc/70/67/12/817706712.db2.gz TXJHVLRPEZFJQZ-LSDHHAIUSA-N 2 0 333.436 -0.470 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)[C@H]1C ZINC001278307823 817739324 /nfs/dbraw/zinc/73/93/24/817739324.db2.gz IBXYJGSSGPTPET-CHWSQXEVSA-N 2 0 334.486 -0.544 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C(C)(C)C1 ZINC001278691089 817795483 /nfs/dbraw/zinc/79/54/83/817795483.db2.gz XBVJMUZPAJDEMD-QWHCGFSZSA-N 2 0 338.452 -0.042 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@@]2(O)CC[N@H+](CCOCCO)C2)CCC1 ZINC001278787974 817831761 /nfs/dbraw/zinc/83/17/61/817831761.db2.gz YOXCUTRMJYMNKO-HNNXBMFYSA-N 2 0 329.441 -0.967 20 0 EBADRP CCOCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001278823371 817851687 /nfs/dbraw/zinc/85/16/87/817851687.db2.gz YSGCAJVMAIIAQY-DOTOQJQBSA-N 2 0 343.468 -0.456 20 0 EBADRP CC[C@H](C(=O)N(C)C1CC([NH2+]CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001279315391 817916091 /nfs/dbraw/zinc/91/60/91/817916091.db2.gz HSXJXAQRSULVAP-WXRRBKDZSA-N 2 0 339.440 -0.543 20 0 EBADRP C[NH+]1CCC(C(=O)NCC2CC([NH2+][C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001091213639 817943151 /nfs/dbraw/zinc/94/31/51/817943151.db2.gz QYBLVJZGEVOLPW-UBHUBRDASA-N 2 0 336.436 -0.382 20 0 EBADRP C[C@@H]([NH2+]C1CC(CNC(=O)C23CC[NH+](CC2)C3)C1)c1nnnn1C ZINC001091327471 817960906 /nfs/dbraw/zinc/96/09/06/817960906.db2.gz OGTKYHCUZUYOPE-PNESKVBLSA-N 2 0 333.440 -0.149 20 0 EBADRP O=C(NCC1CC([NH2+]CCN2C(=O)CNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001091327311 817961042 /nfs/dbraw/zinc/96/10/42/817961042.db2.gz GKFBIEMIXSMVRT-UHFFFAOYSA-N 2 0 349.435 -0.882 20 0 EBADRP CCn1ccc(CNCCN(CCO)C(=O)[C@@H]2CN(C)CCO2)n1 ZINC001279680956 817969329 /nfs/dbraw/zinc/96/93/29/817969329.db2.gz WGUOFTWLVZKMNA-HNNXBMFYSA-N 2 0 339.440 -0.856 20 0 EBADRP Cn1cc(CC[NH2+]CC2(O)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC001281603404 818231486 /nfs/dbraw/zinc/23/14/86/818231486.db2.gz MJCSSNAGQNFQRG-INIZCTEOSA-N 2 0 349.479 0.000 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCc2cn(C3C[NH+](C[C@@H]4CCOC4)C3)nn2)C1 ZINC001094339114 818254086 /nfs/dbraw/zinc/25/40/86/818254086.db2.gz SBPRALQEMXBVGN-KBPBESRZSA-N 2 0 348.451 -0.261 20 0 EBADRP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CCN1C(=O)CNC1=O)[NH+](C)C ZINC001282462114 818435548 /nfs/dbraw/zinc/43/55/48/818435548.db2.gz SFOGFKGARCNBSB-NEPJUHHUSA-N 2 0 327.429 -0.685 20 0 EBADRP CCC[N@H+](C)CCC(=O)NC[C@H](C)[NH+](C)[C@H]1CCC(=O)NC1=O ZINC001282486526 818440135 /nfs/dbraw/zinc/44/01/35/818440135.db2.gz QODXVURHAWLNRM-STQMWFEESA-N 2 0 326.441 -0.040 20 0 EBADRP CC[C@H](CN1CC(N2C[C@@H](NC(=O)Cn3ccnc3)CC2=O)C1)OC ZINC001094823341 818518856 /nfs/dbraw/zinc/51/88/56/818518856.db2.gz VDBPHKYPVQRHLF-DZGCQCFKSA-N 2 0 349.435 -0.291 20 0 EBADRP CC[C@@H](CN1CC(N2C[C@H](NC(=O)Cn3ccnc3)CC2=O)C1)OC ZINC001094823342 818519630 /nfs/dbraw/zinc/51/96/30/818519630.db2.gz VDBPHKYPVQRHLF-HIFRSBDPSA-N 2 0 349.435 -0.291 20 0 EBADRP C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]CCN1C(=O)CNC1=O ZINC001283664896 818901036 /nfs/dbraw/zinc/90/10/36/818901036.db2.gz PLPHPZTWBXCPJU-LBPRGKRZSA-N 2 0 339.440 -0.684 20 0 EBADRP C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]CCN1C(=O)CNC1=O ZINC001283664895 818901163 /nfs/dbraw/zinc/90/11/63/818901163.db2.gz PLPHPZTWBXCPJU-GFCCVEGCSA-N 2 0 339.440 -0.684 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001283883308 819017929 /nfs/dbraw/zinc/01/79/29/819017929.db2.gz CWTILEVIBFBRPT-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CN1C(=O)CCC[NH+](C)C ZINC001284004981 819060528 /nfs/dbraw/zinc/06/05/28/819060528.db2.gz UUSXRUBWQOYKHE-OLZOCXBDSA-N 2 0 334.486 -0.544 20 0 EBADRP CCNC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001098449751 819194214 /nfs/dbraw/zinc/19/42/14/819194214.db2.gz LCNZVCSAQVWBJV-OAHLLOKOSA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@@H](O)C[N@H+](CCO)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001098462165 819199567 /nfs/dbraw/zinc/19/95/67/819199567.db2.gz FWJKVKFFEZLYCS-CQSZACIVSA-N 2 0 327.469 -0.006 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC([NH+](CCO)CC(=O)N(C)C)CC1 ZINC001098524117 819230335 /nfs/dbraw/zinc/23/03/35/819230335.db2.gz CQTVARCVZBMQJK-UHFFFAOYSA-N 2 0 342.484 -0.298 20 0 EBADRP COC[C@@H](O)C[N@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001098561261 819244063 /nfs/dbraw/zinc/24/40/63/819244063.db2.gz YWDOGAQQYBFZOH-HOCLYGCPSA-N 2 0 343.468 -0.769 20 0 EBADRP NC(=O)C[N@H+](CCO)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001098570809 819251173 /nfs/dbraw/zinc/25/11/73/819251173.db2.gz IEHXCQTXSYYBHM-UHFFFAOYSA-N 2 0 340.468 -0.367 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098645500 819293983 /nfs/dbraw/zinc/29/39/83/819293983.db2.gz NYWMYVCJPIKXNH-HUUCEWRRSA-N 2 0 336.440 -0.382 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098751197 819352769 /nfs/dbraw/zinc/35/27/69/819352769.db2.gz JJLVAIOWUORBKK-HNNXBMFYSA-N 2 0 338.456 -0.135 20 0 EBADRP C[C@H](O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001098779505 819363740 /nfs/dbraw/zinc/36/37/40/819363740.db2.gz HPAZMXKLSYHKSU-DZGCQCFKSA-N 2 0 336.440 -0.382 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](n2cc(C[NH2+]C[C@@H](C)O)nn2)C1 ZINC001098789717 819368391 /nfs/dbraw/zinc/36/83/91/819368391.db2.gz IKYKRHVSNVQXDO-HIFRSBDPSA-N 2 0 338.456 -0.138 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCOCC[NH2+][C@H]1CCNC1=O ZINC001284878794 819387598 /nfs/dbraw/zinc/38/75/98/819387598.db2.gz VGUSKVADZBQXDJ-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP O=C(N[C@]12CCC[C@H]1C[N@@H+](CCO)C2)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001098951564 819394945 /nfs/dbraw/zinc/39/49/45/819394945.db2.gz PBARAYCIFJRHOF-LLQJNDGASA-N 2 0 335.448 -0.187 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCO)CC2(CCOCC2)C1 ZINC001099597128 819494143 /nfs/dbraw/zinc/49/41/43/819494143.db2.gz SNHKSNSLFNRDKL-HNNXBMFYSA-N 2 0 343.468 -0.456 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001285881327 819805550 /nfs/dbraw/zinc/80/55/50/819805550.db2.gz VLLKSLJQEBRPSA-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CCOCCO)C[C@@H]1O)C1CCC1 ZINC001099880208 819823529 /nfs/dbraw/zinc/82/35/29/819823529.db2.gz WPRMOUKDNLVIKA-CABCVRRESA-N 2 0 329.441 -0.969 20 0 EBADRP Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H](O)C2)cn1 ZINC001099880339 819824961 /nfs/dbraw/zinc/82/49/61/819824961.db2.gz YQKBDIAAHNVSLD-SJORKVTESA-N 2 0 349.479 -0.002 20 0 EBADRP Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C2)cn1 ZINC001099973431 819978303 /nfs/dbraw/zinc/97/83/03/819978303.db2.gz CUPNZIZSTWYQAZ-HZPDHXFCSA-N 2 0 337.468 -0.144 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001099973851 819978580 /nfs/dbraw/zinc/97/85/80/819978580.db2.gz JXJALLYTCUMLCS-HUUCEWRRSA-N 2 0 340.468 -0.498 20 0 EBADRP Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099975001 819979668 /nfs/dbraw/zinc/97/96/68/819979668.db2.gz XLJSVEPEFPJVQZ-CVEARBPZSA-N 2 0 337.468 -0.144 20 0 EBADRP CCn1cc(CC[N@@H+]2CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)cn1 ZINC001099985444 819991007 /nfs/dbraw/zinc/99/10/07/819991007.db2.gz CLIXOEJBWZRYRU-HOTGVXAUSA-N 2 0 337.468 -0.051 20 0 EBADRP Cc1nc(C)n(CC[N@H+]2CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)n1 ZINC001099986429 819992539 /nfs/dbraw/zinc/99/25/39/819992539.db2.gz KNGDCVLKTHONGI-GJZGRUSLSA-N 2 0 338.456 -0.602 20 0 EBADRP Cc1nc(C)n(CC[N@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)n1 ZINC001099986428 819992823 /nfs/dbraw/zinc/99/28/23/819992823.db2.gz KNGDCVLKTHONGI-CABCVRRESA-N 2 0 338.456 -0.602 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1O ZINC001099987230 819994525 /nfs/dbraw/zinc/99/45/25/819994525.db2.gz WOVKECPLHJEJBK-HZPDHXFCSA-N 2 0 348.447 -0.211 20 0 EBADRP C[N@H+](CCc1ccccc1)CC(=O)N[C@H]1CC[NH+](CCO)C[C@H]1O ZINC001100013225 820040836 /nfs/dbraw/zinc/04/08/36/820040836.db2.gz JKEZIAYEPATLBT-DLBZAZTESA-N 2 0 335.448 -0.295 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](CCc2ccnn2C)C[C@H]1O ZINC001100041104 820107083 /nfs/dbraw/zinc/10/70/83/820107083.db2.gz DZUKAHWHTWRMRS-JKSUJKDBSA-N 2 0 337.468 -0.144 20 0 EBADRP COCCC[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100050484 820125661 /nfs/dbraw/zinc/12/56/61/820125661.db2.gz IYFDHORTHISIJI-HZPDHXFCSA-N 2 0 343.468 -0.315 20 0 EBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2CC[N@H+](CCCO)C[C@H]2O)CC1 ZINC001100050592 820126131 /nfs/dbraw/zinc/12/61/31/820126131.db2.gz KRRREVHAKGCYLZ-HUUCEWRRSA-N 2 0 329.441 -0.969 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCN2CCCC2=O)C[C@H]1O ZINC001100063649 820144307 /nfs/dbraw/zinc/14/43/07/820144307.db2.gz ASOJFQQADMNKKN-LSDHHAIUSA-N 2 0 340.468 -0.498 20 0 EBADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100073384 820163369 /nfs/dbraw/zinc/16/33/69/820163369.db2.gz CJDIVRNJFYXZJK-CABCVRRESA-N 2 0 331.457 -0.457 20 0 EBADRP O=C(N[C@@H]1CC[N@@H+](CCOCC(F)F)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001100073904 820165058 /nfs/dbraw/zinc/16/50/58/820165058.db2.gz HJNBYWQHFIQSIQ-OLZOCXBDSA-N 2 0 347.406 -0.085 20 0 EBADRP COCCCCC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100075146 820167788 /nfs/dbraw/zinc/16/77/88/820167788.db2.gz ZAJPLSZMLLZWTH-JKSUJKDBSA-N 2 0 345.484 -0.067 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCN2CCCC2=O)C[C@@H]1O ZINC001100080376 820178556 /nfs/dbraw/zinc/17/85/56/820178556.db2.gz ILXJGQGAUGRWEE-CABCVRRESA-N 2 0 340.468 -0.498 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCOCCOC)C[C@@H]1O ZINC001100082765 820182905 /nfs/dbraw/zinc/18/29/05/820182905.db2.gz HVSNLSAENSVTJP-HOTGVXAUSA-N 2 0 345.484 -0.067 20 0 EBADRP COCCOCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100109291 820225565 /nfs/dbraw/zinc/22/55/65/820225565.db2.gz CCHYDKBOHKAKDE-LSDHHAIUSA-N 2 0 329.441 -0.703 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001100442598 820423413 /nfs/dbraw/zinc/42/34/13/820423413.db2.gz NQUSTWPQQHAXHD-WXRRBKDZSA-N 2 0 341.456 -0.343 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100444433 820423708 /nfs/dbraw/zinc/42/37/08/820423708.db2.gz KPNRELPNMUAKNO-UHFFFAOYSA-N 2 0 326.441 -0.686 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001100446826 820423748 /nfs/dbraw/zinc/42/37/48/820423748.db2.gz CHATVZFZEXFRQZ-WXRRBKDZSA-N 2 0 339.440 -0.589 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1 ZINC001100457321 820429019 /nfs/dbraw/zinc/42/90/19/820429019.db2.gz YTBYSEMTDUBBQZ-UHFFFAOYSA-N 2 0 348.513 -0.250 20 0 EBADRP C[NH+](C)CCCC(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1 ZINC001100621093 820489333 /nfs/dbraw/zinc/48/93/33/820489333.db2.gz MBPYPTWWSKZZNE-UHFFFAOYSA-N 2 0 334.486 -0.638 20 0 EBADRP C[C@H]([NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001100621205 820490325 /nfs/dbraw/zinc/49/03/25/820490325.db2.gz RJUCNKRZYLOMCM-UNXYVOJBSA-N 2 0 327.429 -0.604 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC1CC([NH2+]CCS(C)(=O)=O)C1 ZINC001100676037 820507689 /nfs/dbraw/zinc/50/76/89/820507689.db2.gz HRMFXJHJKQINTM-HSBZDZAISA-N 2 0 331.482 0.000 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)NCC2CC([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001100681149 820510302 /nfs/dbraw/zinc/51/03/02/820510302.db2.gz YMOXBPQQHRJVFH-UHFFFAOYSA-N 2 0 339.440 -0.602 20 0 EBADRP C[N@H+](CC(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1)CC(C)(C)C ZINC001100681618 820510589 /nfs/dbraw/zinc/51/05/89/820510589.db2.gz OEYUGUCFYIHLCW-UHFFFAOYSA-N 2 0 341.456 -0.356 20 0 EBADRP CC[C@@H](C(=O)NCC1CC([NH2+]CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001100683606 820511662 /nfs/dbraw/zinc/51/16/62/820511662.db2.gz JUJWGRIUHFFNOF-MCIGGMRASA-N 2 0 327.429 -0.733 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+]CCN2CCNC2=O)C1 ZINC001100829906 820564322 /nfs/dbraw/zinc/56/43/22/820564322.db2.gz QZRRUIXYGXJOSI-UHFFFAOYSA-N 2 0 325.457 -0.162 20 0 EBADRP C[C@@H]([NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1)C(=O)N(C)C ZINC001100870607 820585444 /nfs/dbraw/zinc/58/54/44/820585444.db2.gz JZUGPUUMHINMIC-IYXRBSQSSA-N 2 0 328.457 -0.474 20 0 EBADRP C[C@@H]([NH2+]C1CC(CNC(=O)C23CC[NH+](CC2)C3)C1)C(=O)NC(N)=O ZINC001100873235 820586726 /nfs/dbraw/zinc/58/67/26/820586726.db2.gz YQVIGFDJVGMFHE-VOMCLLRMSA-N 2 0 337.424 -0.850 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CC(CNC(=O)CCCC[NH+](C)C)C2)nc1=O ZINC001100890126 820591920 /nfs/dbraw/zinc/59/19/20/820591920.db2.gz MRWFAGGSTVETRJ-UHFFFAOYSA-N 2 0 338.456 -0.175 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+]CC(=O)N2CCOCC2)C1 ZINC001100901662 820594248 /nfs/dbraw/zinc/59/42/48/820594248.db2.gz HTIFQPVTQHTPLR-UHFFFAOYSA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC2CC([NH2+]CC(=O)Nc3cnccn3)C2)C1 ZINC001100981048 820630468 /nfs/dbraw/zinc/63/04/68/820630468.db2.gz SHKMZHLJZWRYIE-MOKVOYLWSA-N 2 0 346.435 -0.149 20 0 EBADRP NC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001101025053 820653921 /nfs/dbraw/zinc/65/39/21/820653921.db2.gz SVTDZKRZABKYJJ-UHFFFAOYSA-N 2 0 339.440 -0.458 20 0 EBADRP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102294154 821062060 /nfs/dbraw/zinc/06/20/60/821062060.db2.gz MBGWULUZHXPFTH-ZIAGYGMSSA-N 2 0 348.513 -0.439 20 0 EBADRP C[C@@H]1C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318792 821069664 /nfs/dbraw/zinc/06/96/64/821069664.db2.gz KFDXNIQNKOXCGM-ZIAGYGMSSA-N 2 0 348.513 -0.486 20 0 EBADRP CCCNC(=O)C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511094 821132299 /nfs/dbraw/zinc/13/22/99/821132299.db2.gz IYRGABRXLPRBLC-HUUCEWRRSA-N 2 0 342.484 -0.225 20 0 EBADRP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102577932 821161168 /nfs/dbraw/zinc/16/11/68/821161168.db2.gz DGGDGZFXCSUCAY-JHJVBQTASA-N 2 0 339.440 -0.922 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102600598 821170423 /nfs/dbraw/zinc/17/04/23/821170423.db2.gz LYQDJFRKELXUMU-VXGBXAGGSA-N 2 0 327.429 -0.794 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001297129600 821326124 /nfs/dbraw/zinc/32/61/24/821326124.db2.gz ZXNNLOYNGXLAFO-UHFFFAOYSA-N 2 0 326.441 -0.767 20 0 EBADRP CC[C@H]([NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)C(N)=O ZINC001104907975 821564258 /nfs/dbraw/zinc/56/42/58/821564258.db2.gz CODORTHKMFSVGV-KFWWJZLASA-N 2 0 342.484 -0.097 20 0 EBADRP C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001105259534 821651403 /nfs/dbraw/zinc/65/14/03/821651403.db2.gz CJWNGSKFPOXVJU-ABAIWWIYSA-N 2 0 336.440 -0.528 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105268583 821658404 /nfs/dbraw/zinc/65/84/04/821658404.db2.gz UDMZUJAHBYGBOK-OAHLLOKOSA-N 2 0 336.440 -0.382 20 0 EBADRP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NC[C@@H]1CCCO1 ZINC001316841669 821881657 /nfs/dbraw/zinc/88/16/57/821881657.db2.gz AKNFRBFQBKSGGO-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NC[C@H]1CCCO1 ZINC001316841668 821883236 /nfs/dbraw/zinc/88/32/36/821883236.db2.gz AKNFRBFQBKSGGO-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CCN1CCNC1=O ZINC001316908803 821913784 /nfs/dbraw/zinc/91/37/84/821913784.db2.gz INVPXAVZVIRDFL-AWEZNQCLSA-N 2 0 325.457 -0.209 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001317244195 822044771 /nfs/dbraw/zinc/04/47/71/822044771.db2.gz HAWIEXZSRJFOTQ-QWHCGFSZSA-N 2 0 339.440 -0.493 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCC[C@@H](C(=O)NCC[NH2+]CCO)C2)CC1 ZINC001317292716 822069931 /nfs/dbraw/zinc/06/99/31/822069931.db2.gz MQQRRALBAMDDNW-OAHLLOKOSA-N 2 0 340.468 -0.735 20 0 EBADRP CN(CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)S(C)(=O)=O ZINC001317313646 822079913 /nfs/dbraw/zinc/07/99/13/822079913.db2.gz RNVLMZGDKPVQHR-UONOGXRCSA-N 2 0 346.497 -0.590 20 0 EBADRP CN(CC[NH2+]CC(=O)NC[C@@H]1CCCO1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001317601287 822172783 /nfs/dbraw/zinc/17/27/83/822172783.db2.gz UKSVEWLRDXTOSI-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106600447 822294780 /nfs/dbraw/zinc/29/47/80/822294780.db2.gz ZHQCVWOQAVOYLU-VXGBXAGGSA-N 2 0 327.429 -0.793 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106622475 822301687 /nfs/dbraw/zinc/30/16/87/822301687.db2.gz ALVLISMECDHQRH-VXGBXAGGSA-N 2 0 327.429 -0.922 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)[C@H](C)C1 ZINC001106910627 822353051 /nfs/dbraw/zinc/35/30/51/822353051.db2.gz HCURNPAUSUOXDO-MGPQQGTHSA-N 2 0 338.452 -0.183 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001128534446 828471112 /nfs/dbraw/zinc/47/11/12/828471112.db2.gz YAMVLCRAOGZBKV-KGLIPLIRSA-N 2 0 346.447 -0.333 20 0 EBADRP C[NH+](C)Cc1ccsc1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001128544750 828472755 /nfs/dbraw/zinc/47/27/55/828472755.db2.gz PYSRKTSKVFOYSV-UHFFFAOYSA-N 2 0 348.494 -0.322 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001128545470 828472772 /nfs/dbraw/zinc/47/27/72/828472772.db2.gz YGJOLUCYTHTLQJ-UONOGXRCSA-N 2 0 346.447 -0.475 20 0 EBADRP C[NH+](C)Cc1ccsc1C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001128551430 828473892 /nfs/dbraw/zinc/47/38/92/828473892.db2.gz CMGIUMIQHFZMQF-NSHDSACASA-N 2 0 338.433 -0.066 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001128773800 828524075 /nfs/dbraw/zinc/52/40/75/828524075.db2.gz DYEBEICPXDXRHE-HUUCEWRRSA-N 2 0 340.468 -0.138 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)COCCOC ZINC001128786176 828526643 /nfs/dbraw/zinc/52/66/43/828526643.db2.gz SHNIHCZSLZXDAM-GJZGRUSLSA-N 2 0 331.457 -0.410 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106986294 823713548 /nfs/dbraw/zinc/71/35/48/823713548.db2.gz JHFVVMJOMFMYRR-HZSPNIEDSA-N 2 0 326.441 -0.876 20 0 EBADRP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129204850 828580531 /nfs/dbraw/zinc/58/05/31/828580531.db2.gz MRESWTIPCXUUPT-ZNMIVQPWSA-N 2 0 338.456 -0.004 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001129219907 828582321 /nfs/dbraw/zinc/58/23/21/828582321.db2.gz NEUYDMJEBUGUSE-KFWWJZLASA-N 2 0 336.440 -0.392 20 0 EBADRP CCOCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129219388 828582404 /nfs/dbraw/zinc/58/24/04/828582404.db2.gz FOLWJQUTNDKZBB-CABCVRRESA-N 2 0 338.456 -0.002 20 0 EBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001129327011 828598817 /nfs/dbraw/zinc/59/88/17/828598817.db2.gz DJLSINOCUYKXSM-AWEZNQCLSA-N 2 0 348.513 -0.439 20 0 EBADRP CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364193 828606450 /nfs/dbraw/zinc/60/64/50/828606450.db2.gz RDZMFNCOWGXXKU-AWEZNQCLSA-N 2 0 326.441 -0.528 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)s1 ZINC001129436559 828618736 /nfs/dbraw/zinc/61/87/36/828618736.db2.gz QZTOOTNZULEAFO-LBPRGKRZSA-N 2 0 340.453 -0.169 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1)C1CC1 ZINC001129436474 828618924 /nfs/dbraw/zinc/61/89/24/828618924.db2.gz PLMQUYKUKSNNOX-CYBMUJFWSA-N 2 0 325.413 -0.979 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F)C1CC1 ZINC001129443119 828619717 /nfs/dbraw/zinc/61/97/17/828619717.db2.gz IHUWHPGADYGTJH-NEPJUHHUSA-N 2 0 341.374 -0.028 20 0 EBADRP Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)[C@H](C3CC3)[NH+](C)C)C2=O)cn1 ZINC001129444607 828620162 /nfs/dbraw/zinc/62/01/62/828620162.db2.gz WHVNQOHFANFXSS-GJZGRUSLSA-N 2 0 348.451 -0.429 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C[N@H+](C)C1CCC1)C(=O)NC(=O)NC1CC1 ZINC001129534889 828631767 /nfs/dbraw/zinc/63/17/67/828631767.db2.gz BXXLRQHPHAGPSC-LLVKDONJSA-N 2 0 339.440 -0.447 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+](C)C)C2 ZINC001108756357 824432691 /nfs/dbraw/zinc/43/26/91/824432691.db2.gz HWZUCZKMDGENGY-XQQFMLRXSA-N 2 0 339.440 -0.637 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001129840781 828680220 /nfs/dbraw/zinc/68/02/20/828680220.db2.gz JESPEGHEAOOQCX-CQSZACIVSA-N 2 0 346.497 -0.398 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129840823 828680301 /nfs/dbraw/zinc/68/03/01/828680301.db2.gz KELZJONPAWLMQG-CYBMUJFWSA-N 2 0 334.486 -0.494 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129841933 828680513 /nfs/dbraw/zinc/68/05/13/828680513.db2.gz RBGPJXQTXFFSAT-CABCVRRESA-N 2 0 331.457 -0.410 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CC(=O)Nc1cnccn1 ZINC001129856058 828682612 /nfs/dbraw/zinc/68/26/12/828682612.db2.gz MSJIXRBBHGSNDE-ZDUSSCGKSA-N 2 0 334.424 -0.005 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CCN1CCCS1(=O)=O)[NH+](C)C ZINC001129947419 828698457 /nfs/dbraw/zinc/69/84/57/828698457.db2.gz YZLHBXOXCUOGMV-ZDUSSCGKSA-N 2 0 334.486 -0.686 20 0 EBADRP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129983265 828707902 /nfs/dbraw/zinc/70/79/02/828707902.db2.gz UNCKVJWVYNVYIE-ZNMIVQPWSA-N 2 0 338.456 -0.004 20 0 EBADRP Cn1nccc1C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992215 828709092 /nfs/dbraw/zinc/70/90/92/828709092.db2.gz RVWRFRAKBXBDCZ-CABCVRRESA-N 2 0 346.439 -0.495 20 0 EBADRP C[NH+](C)CCOCC(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001130086395 828730662 /nfs/dbraw/zinc/73/06/62/828730662.db2.gz ZEYJQUCSCCOUNY-OLZOCXBDSA-N 2 0 328.392 -0.833 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2)C(=O)NC(N)=O ZINC001130173215 828744846 /nfs/dbraw/zinc/74/48/46/828744846.db2.gz BRAFFDNWKIKJKW-NSHDSACASA-N 2 0 325.413 -0.848 20 0 EBADRP O=C(CCC[NH+]1CCCC1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001130140033 828739099 /nfs/dbraw/zinc/73/90/99/828739099.db2.gz OCDGPOLGGMBUCW-CABCVRRESA-N 2 0 336.440 -0.512 20 0 EBADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137325 828739200 /nfs/dbraw/zinc/73/92/00/828739200.db2.gz UBLPYSPBAVWHFH-KFWWJZLASA-N 2 0 338.456 -0.005 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CCCC1)[NH+](C)C ZINC001130202889 828754268 /nfs/dbraw/zinc/75/42/68/828754268.db2.gz BECVXPSWASVYKH-CYBMUJFWSA-N 2 0 341.456 -0.199 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130186136 828749610 /nfs/dbraw/zinc/74/96/10/828749610.db2.gz BHRIYXFAJBGDNR-RYUDHWBXSA-N 2 0 325.413 -0.835 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CCOCC1 ZINC001130187111 828750263 /nfs/dbraw/zinc/75/02/63/828750263.db2.gz OSDJBYAHMCBZKJ-GJZGRUSLSA-N 2 0 338.452 -0.432 20 0 EBADRP CN(CC[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)S(C)(=O)=O ZINC001130187463 828751028 /nfs/dbraw/zinc/75/10/28/828751028.db2.gz VRCQDTSPJKSJLN-UONOGXRCSA-N 2 0 346.497 -0.400 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130187534 828751137 /nfs/dbraw/zinc/75/11/37/828751137.db2.gz XNKNXAQHDPLOFD-CHWSQXEVSA-N 2 0 339.440 -0.445 20 0 EBADRP O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130188803 828751789 /nfs/dbraw/zinc/75/17/89/828751789.db2.gz KBLZKNJGTXXOLL-QWHCGFSZSA-N 2 0 337.424 -0.739 20 0 EBADRP O=C(NCC[NH2+]CCN1C(=O)CCC1=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130190156 828751900 /nfs/dbraw/zinc/75/19/00/828751900.db2.gz WPEVFQGYXPYLHJ-KGLIPLIRSA-N 2 0 336.436 -0.142 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)[NH+](C)C ZINC001130204842 828754724 /nfs/dbraw/zinc/75/47/24/828754724.db2.gz AXVUELPPNHPBPA-QWHCGFSZSA-N 2 0 336.440 -0.429 20 0 EBADRP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111938210 825349186 /nfs/dbraw/zinc/34/91/86/825349186.db2.gz QNCHVRAMEYBVGG-WWGRRREGSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCC[NH+](C)C)C2)C(N)=O ZINC001112563555 825456634 /nfs/dbraw/zinc/45/66/34/825456634.db2.gz ATVLJUHRWIFOHD-ZQIUZPCESA-N 2 0 340.468 -0.343 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+]C[C@@H](O)COCCOC)[C@@H]1C ZINC001179763973 833008919 /nfs/dbraw/zinc/00/89/19/833008919.db2.gz RUDRUNKNKHFQFC-XHSDSOJGSA-N 2 0 345.484 -0.069 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+]CCN(C)S(C)(=O)=O)[C@@H]1C ZINC001179762936 833009036 /nfs/dbraw/zinc/00/90/36/833009036.db2.gz BVHAHOKFOUPERG-KBPBESRZSA-N 2 0 348.513 -0.201 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCOCCO)C[C@H]21 ZINC001114263605 826186254 /nfs/dbraw/zinc/18/62/54/826186254.db2.gz XVKDCLLPXKLLQB-XUWVNRHRSA-N 2 0 325.453 -0.086 20 0 EBADRP C[N@H+](CC(=O)N[C@@H]1[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)C1CCC1 ZINC001114413799 826238632 /nfs/dbraw/zinc/23/86/32/826238632.db2.gz GSVVCNSOCWJUAG-IATRGZMQSA-N 2 0 334.420 -0.678 20 0 EBADRP C[N@H+](CC(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]21)C1CCC1 ZINC001114414669 826239229 /nfs/dbraw/zinc/23/92/29/826239229.db2.gz ZHKPQAWWAJHWHL-VIKVFOODSA-N 2 0 349.435 -0.931 20 0 EBADRP C[N@H+](CC(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]21)C1CCC1 ZINC001114416159 826240219 /nfs/dbraw/zinc/24/02/19/826240219.db2.gz JMAKRMBPPBRZFQ-UOIKSKOESA-N 2 0 348.447 -0.334 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+](CCC1)C2 ZINC001114456086 826254954 /nfs/dbraw/zinc/25/49/54/826254954.db2.gz OKONAKZSNIKDGI-CAOSSQGBSA-N 2 0 337.464 -0.084 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001114496384 826265796 /nfs/dbraw/zinc/26/57/96/826265796.db2.gz LKKGZDQIQCAHGR-LISAXSMJSA-N 2 0 348.447 -0.038 20 0 EBADRP CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001114589434 826293485 /nfs/dbraw/zinc/29/34/85/826293485.db2.gz HORDGBLQKMHILE-ZBKZBXIDSA-N 2 0 335.448 -0.068 20 0 EBADRP COC[C@@H](O)C[NH2+]CCCCCCNC(=O)COCC[NH+](C)C ZINC001180060770 833039120 /nfs/dbraw/zinc/03/91/20/833039120.db2.gz OSPSLXPVQWEQRL-HNNXBMFYSA-N 2 0 333.473 -0.162 20 0 EBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)CC1 ZINC001115038576 826406014 /nfs/dbraw/zinc/40/60/14/826406014.db2.gz MLBFZCMVPLIJRY-KNCOVGOOSA-N 2 0 336.436 -0.968 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[NH+](CCNC(=O)C4CC4)C[C@H]32)C1 ZINC001115119269 826426461 /nfs/dbraw/zinc/42/64/61/826426461.db2.gz UEEOHESPCWSTLQ-UTXMOHQDSA-N 2 0 334.464 -0.099 20 0 EBADRP COCCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125714 826427897 /nfs/dbraw/zinc/42/78/97/826427897.db2.gz AYPMWDCWSJNOSB-FOLVSLTJSA-N 2 0 329.441 -0.726 20 0 EBADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126593 826428394 /nfs/dbraw/zinc/42/83/94/826428394.db2.gz PZRKOTFVGBSPGS-CXTNEJHOSA-N 2 0 326.441 -0.912 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001115152893 826434177 /nfs/dbraw/zinc/43/41/77/826434177.db2.gz WPOUWEXPKYHYQS-LJIGWXMPSA-N 2 0 335.452 -0.368 20 0 EBADRP C[C@@H]([NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001180264484 833065940 /nfs/dbraw/zinc/06/59/40/833065940.db2.gz GDTJTJNVMVVZHC-OLZOCXBDSA-N 2 0 341.456 -0.212 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001180259326 833065115 /nfs/dbraw/zinc/06/51/15/833065115.db2.gz BSEWNCUYUGJNOR-GFCCVEGCSA-N 2 0 327.429 -0.601 20 0 EBADRP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCC[NH2+]CCO ZINC001180408916 833081382 /nfs/dbraw/zinc/08/13/82/833081382.db2.gz UYCJPNGJRWEAHW-JKSUJKDBSA-N 2 0 349.431 -0.394 20 0 EBADRP NC(=O)C1CC[NH+](CCC(=O)N(c2ncccn2)C2C[NH2+]C2)CC1 ZINC001180610158 833096674 /nfs/dbraw/zinc/09/66/74/833096674.db2.gz FDTPVRILMBMECC-UHFFFAOYSA-N 2 0 332.408 -0.631 20 0 EBADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001118148225 826860205 /nfs/dbraw/zinc/86/02/05/826860205.db2.gz SNHWPXRECANZKA-GJZGRUSLSA-N 2 0 343.468 -0.280 20 0 EBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cn(CCCC[NH3+])nn3)C2)CC1 ZINC001118198760 826874809 /nfs/dbraw/zinc/87/48/09/826874809.db2.gz ZHNRAOVYXHINKJ-CQSZACIVSA-N 2 0 349.483 -0.085 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NCCC2=CC[NH2+]CC2)cn1 ZINC001118330235 826910241 /nfs/dbraw/zinc/91/02/41/826910241.db2.gz IMLYLXHAOASXAE-UHFFFAOYSA-N 2 0 334.424 -0.191 20 0 EBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001118488053 826939972 /nfs/dbraw/zinc/93/99/72/826939972.db2.gz YXOWMAOCZRIVDK-GXTWGEPZSA-N 2 0 326.441 -0.672 20 0 EBADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC001118929276 827027712 /nfs/dbraw/zinc/02/77/12/827027712.db2.gz XNWYZKARXCNDLR-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCN1c1cc[nH+]cc1 ZINC001119368058 827103727 /nfs/dbraw/zinc/10/37/27/827103727.db2.gz DDRUZPBHZMMVON-IHRRRGAJSA-N 2 0 331.420 -0.028 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC001119527405 827117013 /nfs/dbraw/zinc/11/70/13/827117013.db2.gz PSDKIAVJPALEKM-QGZVFWFLSA-N 2 0 326.485 -0.023 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC1([NH2+]CCOCCO)CCCCC1 ZINC001120005186 827168105 /nfs/dbraw/zinc/16/81/05/827168105.db2.gz LYSGFBYVUCBLAC-UHFFFAOYSA-N 2 0 345.484 -0.018 20 0 EBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[NH2+]CCO3)C[C@H]2C1 ZINC001120434958 827219700 /nfs/dbraw/zinc/21/97/00/827219700.db2.gz VBUNUSQXTGNMDQ-KBUPBQIOSA-N 2 0 338.452 -0.720 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)N2CCNCC[NH2+]CC2)CC1 ZINC001120480047 827230235 /nfs/dbraw/zinc/23/02/35/827230235.db2.gz JBAULEVPDLFQFD-UHFFFAOYSA-N 2 0 340.516 -0.392 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001181673195 833172866 /nfs/dbraw/zinc/17/28/66/833172866.db2.gz FTDHJAKXEBTNAD-OLZOCXBDSA-N 2 0 332.470 -0.790 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001181884886 833186794 /nfs/dbraw/zinc/18/67/94/833186794.db2.gz LNJUHLGTNPOXJD-XHBSWPGZSA-N 2 0 341.456 -0.404 20 0 EBADRP C[NH+](C)CCC(=O)NC1CC2(C1)CC([NH2+]CCN1CCNC1=O)C2 ZINC001121703603 827428777 /nfs/dbraw/zinc/42/87/77/827428777.db2.gz ZPAPUUMBNRDZCQ-UHFFFAOYSA-N 2 0 337.468 -0.020 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001122126670 827524302 /nfs/dbraw/zinc/52/43/02/827524302.db2.gz PFLYMEHGTLMVCA-CQSZACIVSA-N 2 0 326.441 -0.589 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2CC3(C2)CC([NH2+]CC(=O)NC(N)=O)C3)C1 ZINC001122178174 827537737 /nfs/dbraw/zinc/53/77/37/827537737.db2.gz YUCGLZRJMVTOQE-MJMQAPBISA-N 2 0 337.424 -0.850 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001182473285 833236147 /nfs/dbraw/zinc/23/61/47/833236147.db2.gz OZUVYKJQLFCTBJ-KGLIPLIRSA-N 2 0 346.497 -0.401 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@]1(C)CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001182486749 833236881 /nfs/dbraw/zinc/23/68/81/833236881.db2.gz UIOHIRWTVBXYKO-MLGOLLRUSA-N 2 0 341.456 -0.532 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)n1 ZINC001182670608 833251331 /nfs/dbraw/zinc/25/13/31/833251331.db2.gz SISYUKZSQKENEX-CQSZACIVSA-N 2 0 339.440 -0.742 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C2)CC[N@@H+]1C ZINC001182692579 833252562 /nfs/dbraw/zinc/25/25/62/833252562.db2.gz NSQBCGCPKJPFBO-FRRDWIJNSA-N 2 0 339.440 -0.637 20 0 EBADRP Cn1cc(N2CCC[C@H]([NH2+]CCNC(=O)[C@@H]3CCC[N@@H+]3C)C2=O)cn1 ZINC001124867135 827970186 /nfs/dbraw/zinc/97/01/86/827970186.db2.gz SIWLKZPCEQFVMX-GJZGRUSLSA-N 2 0 348.451 -0.285 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)NC(=O)NC(C)(C)C ZINC001124872554 827972291 /nfs/dbraw/zinc/97/22/91/827972291.db2.gz KFTUYXFUTYDKSC-VXGBXAGGSA-N 2 0 341.456 -0.201 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@]1(C)C[NH2+][C@@H]1CCNC1=O ZINC001183164869 833282393 /nfs/dbraw/zinc/28/23/93/833282393.db2.gz CFXZDTZITDDUOA-CKEIUWERSA-N 2 0 340.468 -0.473 20 0 EBADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001183240388 833284347 /nfs/dbraw/zinc/28/43/47/833284347.db2.gz CFKZWRGLJUYQTK-CHWSQXEVSA-N 2 0 339.440 -0.650 20 0 EBADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001183288195 833285697 /nfs/dbraw/zinc/28/56/97/833285697.db2.gz BPRXRGBHNYSUBJ-ZBFHGGJFSA-N 2 0 343.468 -0.315 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001183647387 833297964 /nfs/dbraw/zinc/29/79/64/833297964.db2.gz GBVWZMUOSYHQPC-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CCNS(=O)(=O)CC)C1 ZINC001183764979 833305488 /nfs/dbraw/zinc/30/54/88/833305488.db2.gz LKDMUOWGHGIQCI-CYBMUJFWSA-N 2 0 348.513 -0.154 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127065861 828247359 /nfs/dbraw/zinc/24/73/59/828247359.db2.gz GEVSPYUBEGXUBW-CYBMUJFWSA-N 2 0 341.456 -0.199 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001127082544 828249327 /nfs/dbraw/zinc/24/93/27/828249327.db2.gz UKLQJLOUEVKQAZ-CABCVRRESA-N 2 0 340.468 -0.188 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001127322720 828279496 /nfs/dbraw/zinc/27/94/96/828279496.db2.gz USVACGZBKGAVIV-OAHLLOKOSA-N 2 0 345.484 -0.019 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2)Nc1cnccn1 ZINC001127475642 828296677 /nfs/dbraw/zinc/29/66/77/828296677.db2.gz XRRQWAWGQWNGNM-ZDUSSCGKSA-N 2 0 332.408 -0.537 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2)NC[C@H]1CCCO1 ZINC001127474497 828297244 /nfs/dbraw/zinc/29/72/44/828297244.db2.gz MTTAOMKPEPWTFD-CABCVRRESA-N 2 0 338.452 -0.671 20 0 EBADRP O=C(NCC[NH2+]C[C@H](O)CN1CCCC1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127481424 828297762 /nfs/dbraw/zinc/29/77/62/828297762.db2.gz UBPFMGBSXVXSQT-LSDHHAIUSA-N 2 0 338.452 -0.983 20 0 EBADRP CS(=O)(=O)CC1(C[NH2+]CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001127481775 828298011 /nfs/dbraw/zinc/29/80/11/828298011.db2.gz WUXLTDQWZNWYDU-AWEZNQCLSA-N 2 0 343.493 -0.141 20 0 EBADRP C[C@@H](C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CS(C)(=O)=O ZINC001127481641 828298117 /nfs/dbraw/zinc/29/81/17/828298117.db2.gz VUEOXBLCXZSWIQ-JSGCOSHPSA-N 2 0 331.482 -0.285 20 0 EBADRP Cn1nccc1CC[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127558560 828302834 /nfs/dbraw/zinc/30/28/34/828302834.db2.gz OAYHGRFRNHMYGO-UHFFFAOYSA-N 2 0 333.440 -0.260 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127659829 828312741 /nfs/dbraw/zinc/31/27/41/828312741.db2.gz MUFKWBJORPERBQ-BFHYXJOUSA-N 2 0 328.457 -0.426 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127691045 828315678 /nfs/dbraw/zinc/31/56/78/828315678.db2.gz ZANCYCMOFSWYHZ-VXGBXAGGSA-N 2 0 327.429 -0.732 20 0 EBADRP COc1nccc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001127777677 828326371 /nfs/dbraw/zinc/32/63/71/828326371.db2.gz BAWLUQKZXGDXNY-UONOGXRCSA-N 2 0 335.408 -0.446 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779956 828327537 /nfs/dbraw/zinc/32/75/37/828327537.db2.gz UKRXOLQIRQHXRW-KGLIPLIRSA-N 2 0 326.441 -0.578 20 0 EBADRP COc1ccc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)nn1 ZINC001127778849 828327799 /nfs/dbraw/zinc/32/77/99/828327799.db2.gz GVDSVKRHLSROKP-UONOGXRCSA-N 2 0 335.408 -0.446 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NCC1CCC1 ZINC001127780450 828330414 /nfs/dbraw/zinc/33/04/14/828330414.db2.gz ZBBANFASHFJHHE-GJZGRUSLSA-N 2 0 338.452 -0.528 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001184170572 833322635 /nfs/dbraw/zinc/32/26/35/833322635.db2.gz DUCJWLLRMXLTFA-GFCCVEGCSA-N 2 0 328.376 -0.183 20 0 EBADRP CN(CCC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1)c1cc[nH+]cc1 ZINC001130556722 828882335 /nfs/dbraw/zinc/88/23/35/828882335.db2.gz VFXHZCWZJIWRNW-INIZCTEOSA-N 2 0 346.435 -0.129 20 0 EBADRP O=C(NCC[NH2+]C[C@H]1CCS(=O)(=O)C1)C12CCC[NH+]1CCC2 ZINC001130808582 828944075 /nfs/dbraw/zinc/94/40/75/828944075.db2.gz HFBYOVRXWUIHGZ-CYBMUJFWSA-N 2 0 329.466 -0.245 20 0 EBADRP COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001184962448 833344141 /nfs/dbraw/zinc/34/41/41/833344141.db2.gz XFHLRVCSGIJLKW-OAGGEKHMSA-N 2 0 343.468 -0.315 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185085885 833346578 /nfs/dbraw/zinc/34/65/78/833346578.db2.gz NMEIQTBIIZXQME-NEPJUHHUSA-N 2 0 327.429 -0.793 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001185248372 833351548 /nfs/dbraw/zinc/35/15/48/833351548.db2.gz DHKLXYGNUJKPDW-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001185253225 833351905 /nfs/dbraw/zinc/35/19/05/833351905.db2.gz VYTIVRZTHBYWBK-MRXNPFEDSA-N 3 0 327.517 -0.036 20 0 EBADRP O=C(C[NH2+]CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1)NC1CC1 ZINC001131196587 829069469 /nfs/dbraw/zinc/06/94/69/829069469.db2.gz NITOGWSXKGBNFR-UHFFFAOYSA-N 2 0 328.376 -0.135 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001185350124 833356845 /nfs/dbraw/zinc/35/68/45/833356845.db2.gz ZMZBRIBNWLNZNI-OLZOCXBDSA-N 2 0 341.456 -0.403 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185385979 833357289 /nfs/dbraw/zinc/35/72/89/833357289.db2.gz YOLHFOUXKLJPOZ-VXGBXAGGSA-N 2 0 327.429 -0.637 20 0 EBADRP Cn1ccc(N2CC[C@H]([NH2+][C@@H]3CCN(C(=O)CC[NH+](C)C)C3)C2=O)n1 ZINC001185401514 833357980 /nfs/dbraw/zinc/35/79/80/833357980.db2.gz RJGXFMZRNINTOM-KGLIPLIRSA-N 2 0 348.451 -0.332 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C2)s1 ZINC001185407908 833358038 /nfs/dbraw/zinc/35/80/38/833358038.db2.gz GNAPFEBZJCZYCY-LLVKDONJSA-N 2 0 340.453 -0.073 20 0 EBADRP CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1)[NH+](C)C ZINC001185455555 833359238 /nfs/dbraw/zinc/35/92/38/833359238.db2.gz PIRKSRGHICETDB-QJPTWQEYSA-N 2 0 327.429 -0.654 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001185715714 833368049 /nfs/dbraw/zinc/36/80/49/833368049.db2.gz KHDCAOGZBXAIQN-OLZOCXBDSA-N 2 0 339.440 -0.541 20 0 EBADRP Cc1noc(CCC[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)n1 ZINC001131520022 829152130 /nfs/dbraw/zinc/15/21/30/829152130.db2.gz RDBYUQAEWKHGTG-XOYHFGRZSA-N 2 0 349.435 -0.120 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131555494 829158722 /nfs/dbraw/zinc/15/87/22/829158722.db2.gz IKIJTKKPPXHUGY-PBHICJAKSA-N 2 0 340.468 -0.330 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001131588154 829161616 /nfs/dbraw/zinc/16/16/16/829161616.db2.gz UMIUCKRZVDZLAG-PBHICJAKSA-N 2 0 340.468 -0.201 20 0 EBADRP O=C(NCC[NH2+]CCN1C(=O)CCC1=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131789902 829217956 /nfs/dbraw/zinc/21/79/56/829217956.db2.gz APGXLMJZGFOVGH-MRXNPFEDSA-N 2 0 336.436 -0.284 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001186000379 833382938 /nfs/dbraw/zinc/38/29/38/833382938.db2.gz NHEVUQFSILQBRS-OAHLLOKOSA-N 2 0 338.456 -0.135 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2cnccn2)C1 ZINC001186457879 833402196 /nfs/dbraw/zinc/40/21/96/833402196.db2.gz DTNFQWRSQOVGAX-CYBMUJFWSA-N 2 0 334.424 -0.053 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001132736879 829512128 /nfs/dbraw/zinc/51/21/28/829512128.db2.gz FFROBGWWHDBQKM-OAHLLOKOSA-N 2 0 340.468 -0.327 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001132848215 829533508 /nfs/dbraw/zinc/53/35/08/829533508.db2.gz BGNXKUIHRQHSMU-GJZGRUSLSA-N 2 0 340.468 -0.282 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCOC[C@@H]2CCCO2)C1 ZINC001132848464 829534721 /nfs/dbraw/zinc/53/47/21/829534721.db2.gz IOOWMUVGOMEBCB-HOTGVXAUSA-N 2 0 343.468 -0.003 20 0 EBADRP Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)n1 ZINC001132848534 829535583 /nfs/dbraw/zinc/53/55/83/829535583.db2.gz KEFJHUHMEHEXAN-OAHLLOKOSA-N 2 0 338.456 -0.290 20 0 EBADRP CC(C)CNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132852803 829538259 /nfs/dbraw/zinc/53/82/59/829538259.db2.gz UTRBYQSDIPLFFQ-LSDHHAIUSA-N 2 0 342.484 -0.038 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886969 829544942 /nfs/dbraw/zinc/54/49/42/829544942.db2.gz YAOJDYRRGRFIQW-ZFWWWQNUSA-N 2 0 328.457 -0.425 20 0 EBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H](C)OC(=O)[C@@H](C)NC(C)=O ZINC001186732903 833423242 /nfs/dbraw/zinc/42/32/42/833423242.db2.gz ORPFQJQCZSHQFU-GHMZBOCLSA-N 2 0 343.428 -0.493 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CC1)C(=O)NC[C@@H]1CCCO1 ZINC001132995536 829568351 /nfs/dbraw/zinc/56/83/51/829568351.db2.gz XABLSFIZVGLALY-KGLIPLIRSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)C[C@@H](C)O1 ZINC001132995592 829568640 /nfs/dbraw/zinc/56/86/40/829568640.db2.gz ZUKWUHYRZOVUGJ-ZIAGYGMSSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)CCC[NH+](C)C)C(=O)NC(=O)NC1CC1 ZINC001133051344 829578044 /nfs/dbraw/zinc/57/80/44/829578044.db2.gz DTRKLVQPMILCRH-NSHDSACASA-N 2 0 327.429 -0.589 20 0 EBADRP Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)CCC[NH+](C)C)C2=O)cn1 ZINC001133051864 829578549 /nfs/dbraw/zinc/57/85/49/829578549.db2.gz SELVSEICLIIFRZ-CQSZACIVSA-N 2 0 336.440 -0.427 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133051857 829578829 /nfs/dbraw/zinc/57/88/29/829578829.db2.gz RVIFNWSVRYJVGF-LBPRGKRZSA-N 2 0 329.445 -0.343 20 0 EBADRP C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CCNS(C)(=O)=O ZINC001133091516 829582356 /nfs/dbraw/zinc/58/23/56/829582356.db2.gz RXQYPCJKITULOA-KGLIPLIRSA-N 2 0 348.513 -0.439 20 0 EBADRP C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133091510 829582406 /nfs/dbraw/zinc/58/24/06/829582406.db2.gz RXDSCFKQOYOETG-VXGBXAGGSA-N 2 0 327.429 -0.793 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001133178250 829598808 /nfs/dbraw/zinc/59/88/08/829598808.db2.gz NLJHVHXGWUNVEL-CHWSQXEVSA-N 2 0 341.456 -0.403 20 0 EBADRP C[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1C[NH2+]CC(N)=O ZINC001133200396 829604950 /nfs/dbraw/zinc/60/49/50/829604950.db2.gz RSMSATYTSYZTQW-KBPBESRZSA-N 2 0 340.468 -0.343 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001133224414 829608466 /nfs/dbraw/zinc/60/84/66/829608466.db2.gz BFZOBCXLLDOSHJ-CHWSQXEVSA-N 2 0 341.456 -0.403 20 0 EBADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001133246564 829610188 /nfs/dbraw/zinc/61/01/88/829610188.db2.gz YZIIARSDDNDBDK-HUUCEWRRSA-N 2 0 342.484 -0.225 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCNC(=O)C2CC[NH+](C)CC2)n(C)n1 ZINC001133285996 829615701 /nfs/dbraw/zinc/61/57/01/829615701.db2.gz ROGLPKVMLVQIIU-UHFFFAOYSA-N 2 0 336.440 -0.285 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC001133291282 829616231 /nfs/dbraw/zinc/61/62/31/829616231.db2.gz NTGLHTVGDPOJQS-UHFFFAOYSA-N 2 0 339.440 -0.492 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001186824546 833431250 /nfs/dbraw/zinc/43/12/50/833431250.db2.gz AEXKXKJKVBJVFN-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[C@H](C(=O)NCC[NH2+]CCN1CCCS1(=O)=O)[NH+](C)C ZINC001133416025 829630099 /nfs/dbraw/zinc/63/00/99/829630099.db2.gz YZLHBXOXCUOGMV-CYBMUJFWSA-N 2 0 334.486 -0.686 20 0 EBADRP CC(C)[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1)[NH+](C)C ZINC001133434486 829631323 /nfs/dbraw/zinc/63/13/23/829631323.db2.gz TWRNDQXDNBGLTO-UKRRQHHQSA-N 2 0 328.457 -0.569 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)Nc2cnccn2)C1 ZINC001186824924 833431971 /nfs/dbraw/zinc/43/19/71/833431971.db2.gz QYCMGPVJTGYZCV-CYBMUJFWSA-N 2 0 334.424 -0.053 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001133684588 829661242 /nfs/dbraw/zinc/66/12/42/829661242.db2.gz KEJGUFLDNAVZJL-LBPRGKRZSA-N 2 0 329.445 -0.342 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O)[NH+](CC)CC ZINC001133685556 829662327 /nfs/dbraw/zinc/66/23/27/829662327.db2.gz VYNSAVDJPATVJM-GJZGRUSLSA-N 2 0 342.484 -0.204 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC001133849922 829686404 /nfs/dbraw/zinc/68/64/04/829686404.db2.gz HIXPRDFTOXLQEV-HIFRSBDPSA-N 2 0 348.451 -0.427 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133849696 829687160 /nfs/dbraw/zinc/68/71/60/829687160.db2.gz BYNSHUMHCPMAKC-OAHLLOKOSA-N 2 0 345.419 -0.640 20 0 EBADRP Cc1n[nH]c(C)c1NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133865791 829689844 /nfs/dbraw/zinc/68/98/44/829689844.db2.gz GSBPURUSWNJWHQ-GXFFZTMASA-N 2 0 336.440 -0.131 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001133869322 829691504 /nfs/dbraw/zinc/69/15/04/829691504.db2.gz DGSGPARLOWPVEQ-QWHCGFSZSA-N 2 0 331.482 -0.285 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133896280 829695045 /nfs/dbraw/zinc/69/50/45/829695045.db2.gz GOLFWMJNPGUEBU-CQSZACIVSA-N 2 0 342.484 -0.035 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133896451 829695292 /nfs/dbraw/zinc/69/52/92/829695292.db2.gz JODCXXVTCYCJQV-UHFFFAOYSA-N 2 0 328.457 -0.423 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)COC[C@H](C)[NH+]1CCCC1)C(=O)N(C)C ZINC001134020435 829713744 /nfs/dbraw/zinc/71/37/44/829713744.db2.gz AQBJPMRNCKWMHO-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134054674 829719651 /nfs/dbraw/zinc/71/96/51/829719651.db2.gz OVPHGPHRFVAVHH-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP C[C@H](COCC(=O)NCC[NH2+]CCS(C)(=O)=O)[NH+]1CCCC1 ZINC001134058279 829720044 /nfs/dbraw/zinc/72/00/44/829720044.db2.gz HOAQPCCPHVCMNV-CYBMUJFWSA-N 2 0 335.470 -0.762 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134582978 829797192 /nfs/dbraw/zinc/79/71/92/829797192.db2.gz CMDUXYDTHXEZRG-RYUDHWBXSA-N 2 0 341.456 -0.201 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001134757000 829839790 /nfs/dbraw/zinc/83/97/90/829839790.db2.gz MFMFFXWKUAMRPG-LBPRGKRZSA-N 2 0 327.429 -0.588 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001134757588 829839828 /nfs/dbraw/zinc/83/98/28/829839828.db2.gz QEAUIBRUGSVABF-CYBMUJFWSA-N 2 0 341.456 -0.198 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)C(=O)NC(N)=O ZINC001134759551 829841710 /nfs/dbraw/zinc/84/17/10/829841710.db2.gz SMGIUNGFZORQGJ-VXGBXAGGSA-N 2 0 327.429 -0.460 20 0 EBADRP C[NH+]1CCC(CC(=O)NCC[NH2+]CCN2CCCS2(=O)=O)CC1 ZINC001134780374 829844897 /nfs/dbraw/zinc/84/48/97/829844897.db2.gz CUYVXSSXGUHHOU-UHFFFAOYSA-N 2 0 346.497 -0.540 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134782180 829844990 /nfs/dbraw/zinc/84/49/90/829844990.db2.gz ARDRQVSXEOAOMO-LLVKDONJSA-N 2 0 327.429 -0.732 20 0 EBADRP COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780560 829845109 /nfs/dbraw/zinc/84/51/09/829845109.db2.gz LRDIOXOZGDYSOX-GOEBONIOSA-N 2 0 345.484 -0.164 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135102844 829898203 /nfs/dbraw/zinc/89/82/03/829898203.db2.gz OZLXVWBJESXSEO-HZPDHXFCSA-N 2 0 340.468 -0.138 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135298459 829941611 /nfs/dbraw/zinc/94/16/11/829941611.db2.gz MRYFGZREXSHMJH-WDEREUQCSA-N 2 0 327.429 -0.604 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CCCN1C(=O)CNC1=O)NC(=O)CC[NH+](C)C ZINC001135371769 829955250 /nfs/dbraw/zinc/95/52/50/829955250.db2.gz ITQFLPFJLLYPFR-STQMWFEESA-N 2 0 341.456 -0.247 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001135378797 829956365 /nfs/dbraw/zinc/95/63/65/829956365.db2.gz MUSJYMFSKJCFJF-QWHCGFSZSA-N 2 0 348.513 -0.250 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001135378798 829956567 /nfs/dbraw/zinc/95/65/67/829956567.db2.gz MUSJYMFSKJCFJF-STQMWFEESA-N 2 0 348.513 -0.250 20 0 EBADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]CC(=O)N1CCOCC1)C(C)C ZINC001135477346 829974390 /nfs/dbraw/zinc/97/43/90/829974390.db2.gz DDWHAANJVHCXRZ-INIZCTEOSA-N 2 0 342.484 -0.083 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)Nc1nnc(C)s1 ZINC001135511550 829978456 /nfs/dbraw/zinc/97/84/56/829978456.db2.gz SKSZKZNPUZDSIQ-UHFFFAOYSA-N 2 0 328.442 -0.167 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)N1CCOC[C@H]1C1CC1 ZINC001135511120 829978513 /nfs/dbraw/zinc/97/85/13/829978513.db2.gz JOBKTFKLDSHFKN-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP CC1CC[NH+](CC(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C)CC1 ZINC001135702492 830012399 /nfs/dbraw/zinc/01/23/99/830012399.db2.gz JSSVKPXKTFPXJA-UHFFFAOYSA-N 2 0 348.513 -0.294 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135706914 830014097 /nfs/dbraw/zinc/01/40/97/830014097.db2.gz MDNSZUCENWJOIS-UHFFFAOYSA-N 2 0 328.457 -0.423 20 0 EBADRP CC1CC[NH+](CC(=O)NCC[NH2+]CC(=O)NC2CCOCC2)CC1 ZINC001135706754 830014271 /nfs/dbraw/zinc/01/42/71/830014271.db2.gz CMOMZZFCIUGHNV-UHFFFAOYSA-N 2 0 340.468 -0.281 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001135743279 830018049 /nfs/dbraw/zinc/01/80/49/830018049.db2.gz HVMWSYPNNWFMHY-NEPJUHHUSA-N 2 0 326.445 -0.177 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CCOCCO)NC(=O)COC1CC[NH+](C)CC1 ZINC001135804450 830028378 /nfs/dbraw/zinc/02/83/78/830028378.db2.gz KGKUUVMAXTXPAK-HUUCEWRRSA-N 2 0 345.484 -0.021 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001211229597 837411083 /nfs/dbraw/zinc/41/10/83/837411083.db2.gz XVZRLWZMILALTR-CYBMUJFWSA-N 2 0 339.440 -0.362 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001135861036 830036117 /nfs/dbraw/zinc/03/61/17/830036117.db2.gz LJVVCMZITZQKBO-QWHCGFSZSA-N 2 0 341.456 -0.247 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]Cc1cn(C)nn1)NC(=O)COCC[NH+](C)C ZINC001135923124 830046519 /nfs/dbraw/zinc/04/65/19/830046519.db2.gz HJHDOEAWGXCUDC-STQMWFEESA-N 2 0 326.445 -0.234 20 0 EBADRP CCCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135924697 830047175 /nfs/dbraw/zinc/04/71/75/830047175.db2.gz VPXQKONRAWVPQJ-KBPBESRZSA-N 2 0 330.473 -0.036 20 0 EBADRP CN(CC(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1)C(N)=[NH2+] ZINC001144131048 830159682 /nfs/dbraw/zinc/15/96/82/830159682.db2.gz SEXXKMNYGPROBX-RWMBFGLXSA-N 2 0 347.423 -0.741 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)C[NH+]1CCCC1 ZINC001146408400 830196423 /nfs/dbraw/zinc/19/64/23/830196423.db2.gz IQOKJFLHLAAIBO-STQMWFEESA-N 2 0 339.440 -0.493 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001146704501 830221282 /nfs/dbraw/zinc/22/12/82/830221282.db2.gz CBUQREZIQFXYRH-CYBMUJFWSA-N 2 0 334.486 -0.685 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)Nc1nnc(C)s1 ZINC001146719299 830223245 /nfs/dbraw/zinc/22/32/45/830223245.db2.gz OYRQCSQFUCMESR-UHFFFAOYSA-N 2 0 328.442 -0.167 20 0 EBADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001147358927 830326187 /nfs/dbraw/zinc/32/61/87/830326187.db2.gz IXEHJZJTOXGTTO-GFCCVEGCSA-N 2 0 327.429 -0.458 20 0 EBADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC ZINC001147359003 830326609 /nfs/dbraw/zinc/32/66/09/830326609.db2.gz LBIXVDNFRVRHLX-CYBMUJFWSA-N 2 0 341.456 -0.198 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC2(C1)CC[N@@H+](CCOCCO)C2 ZINC001147572851 830365841 /nfs/dbraw/zinc/36/58/41/830365841.db2.gz LOTVZPPMJFWZPB-MRXNPFEDSA-N 2 0 337.464 -0.129 20 0 EBADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001147835749 830418160 /nfs/dbraw/zinc/41/81/60/830418160.db2.gz VHQYSNBVTDAQNB-ZIAGYGMSSA-N 2 0 325.457 -0.162 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147836218 830418830 /nfs/dbraw/zinc/41/88/30/830418830.db2.gz ZKMDEAGADXUJNP-ZIAGYGMSSA-N 2 0 348.513 -0.248 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C)s1 ZINC001147848073 830420682 /nfs/dbraw/zinc/42/06/82/830420682.db2.gz FHJIKEFZBIRKNS-UHFFFAOYSA-N 2 0 344.441 -0.931 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001147885324 830426168 /nfs/dbraw/zinc/42/61/68/830426168.db2.gz LZLUTBJJGLLLSV-KBPBESRZSA-N 2 0 326.441 -0.671 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]C[C@@H](O)COCc1ccco1 ZINC001147891518 830426215 /nfs/dbraw/zinc/42/62/15/830426215.db2.gz AZPVYVUJUYXERQ-CQSZACIVSA-N 2 0 343.424 -0.559 20 0 EBADRP Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)C[C@@H]3CC[N@H+](C)C3)C2=O)cn1 ZINC001147892571 830427042 /nfs/dbraw/zinc/42/70/42/830427042.db2.gz KEIFJLOYBCNJBZ-DZGCQCFKSA-N 2 0 348.451 -0.427 20 0 EBADRP C[C@@H]1C[C@H](C)CN(C(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C)C1 ZINC001147893986 830427078 /nfs/dbraw/zinc/42/70/78/830427078.db2.gz WZBWHGPWQDEDPM-GASCZTMLSA-N 2 0 342.484 -0.225 20 0 EBADRP CCC(C)(C)NC(=O)[C@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147894037 830427247 /nfs/dbraw/zinc/42/72/47/830427247.db2.gz YUAJGXFICQCYSR-ZDUSSCGKSA-N 2 0 330.473 -0.036 20 0 EBADRP Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)C[C@@H]3CC[N@H+](C)C3)C2=O)n1 ZINC001147892577 830427402 /nfs/dbraw/zinc/42/74/02/830427402.db2.gz KFPGHFWPNMEYBT-KBPBESRZSA-N 2 0 348.451 -0.427 20 0 EBADRP C[NH+]1CCN(c2ccccc2-c2noc(C[C@@H]([NH3+])C(N)=O)n2)CC1 ZINC001211591195 837450222 /nfs/dbraw/zinc/45/02/22/837450222.db2.gz MEDDYCFZVRDHHY-GFCCVEGCSA-N 2 0 330.392 -0.157 20 0 EBADRP O=C(NCC[NH2+]C[C@H](O)COC[C@H]1CCCO1)C12CC[NH+](CC1)C2 ZINC001147999841 830436970 /nfs/dbraw/zinc/43/69/70/830436970.db2.gz FWQWRNNJPMRTNS-LSDHHAIUSA-N 2 0 341.452 -0.656 20 0 EBADRP O=C(NCC[NH2+]C[C@H](O)COCc1ccco1)C12CC[NH+](CC1)C2 ZINC001147999692 830437045 /nfs/dbraw/zinc/43/70/45/830437045.db2.gz CRSIJFMZFGIDLH-AWEZNQCLSA-N 2 0 337.420 -0.041 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001148056955 830445297 /nfs/dbraw/zinc/44/52/97/830445297.db2.gz BORQYTPGRLRANJ-CYBMUJFWSA-N 2 0 332.408 -0.275 20 0 EBADRP C[NH+](C)CCCCC(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001148360408 830475501 /nfs/dbraw/zinc/47/55/01/830475501.db2.gz SYZGMUHRMZYGAZ-AWEZNQCLSA-N 2 0 348.513 -0.294 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148365430 830475833 /nfs/dbraw/zinc/47/58/33/830475833.db2.gz PJRARSSIJVMSFJ-CQSZACIVSA-N 2 0 330.473 -0.035 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC2(C1)CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C2 ZINC001148458988 830491599 /nfs/dbraw/zinc/49/15/99/830491599.db2.gz ZZKODERAMUSQAZ-GFCCVEGCSA-N 2 0 339.440 -0.554 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]C[C@H](O)CO[C@H](C)COC ZINC001148572666 830512202 /nfs/dbraw/zinc/51/22/02/830512202.db2.gz IRCUMEIKWNSFAW-CABCVRRESA-N 2 0 333.473 -0.164 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC(C)C ZINC001148655122 830524109 /nfs/dbraw/zinc/52/41/09/830524109.db2.gz IDNOTNWDBBWZCF-GFCCVEGCSA-N 2 0 329.445 -0.343 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@H](C)C(=O)NCCCOCC ZINC001148655659 830525001 /nfs/dbraw/zinc/52/50/01/830525001.db2.gz QRTNPQQXEMMGJS-CQSZACIVSA-N 2 0 330.473 -0.035 20 0 EBADRP Cn1cncc1CCC(=O)N1CC2(C1)CC[N@H+](CCOCCO)C2 ZINC001148695006 830529061 /nfs/dbraw/zinc/52/90/61/830529061.db2.gz MNZFCPQWJYTDAX-UHFFFAOYSA-N 2 0 336.436 -0.104 20 0 EBADRP C[C@H](COCC(=O)NC[C@@H]1C[N@H+](CCO)CCCO1)[NH+]1CCCC1 ZINC001150334341 830866319 /nfs/dbraw/zinc/86/63/19/830866319.db2.gz VCOULKFBIGOSPM-HZPDHXFCSA-N 2 0 343.468 -0.313 20 0 EBADRP COCC[N@@H+]1CCCO[C@@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001150508201 830919746 /nfs/dbraw/zinc/91/97/46/830919746.db2.gz PMQCZIRJRSHURU-INIZCTEOSA-N 2 0 343.468 -0.049 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H]1C[NH+](C[C@@H](O)COC)CCCO1 ZINC001150546566 830928098 /nfs/dbraw/zinc/92/80/98/830928098.db2.gz GMDSGSGELZZDOC-CABCVRRESA-N 2 0 331.457 -0.457 20 0 EBADRP COCCOCC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150714223 830968815 /nfs/dbraw/zinc/96/88/15/830968815.db2.gz BGRFOBDLKCAJCE-MRXNPFEDSA-N 2 0 343.468 -0.048 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@H]1C[N@H+](CCn2cncn2)CCCO1 ZINC001150716579 830970388 /nfs/dbraw/zinc/97/03/88/830970388.db2.gz UADHEDVQWWWICF-HNNXBMFYSA-N 2 0 336.440 -0.419 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CCOCCO)CCCO1 ZINC001150779165 830982485 /nfs/dbraw/zinc/98/24/85/830982485.db2.gz PBNVIKRAHGHIKF-OAHLLOKOSA-N 2 0 331.457 -0.457 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CCn2cncn2)CCCO1 ZINC001150795083 830985196 /nfs/dbraw/zinc/98/51/96/830985196.db2.gz NFAAANFTTXESSV-OAHLLOKOSA-N 2 0 338.456 -0.175 20 0 EBADRP Cn1cc(N2CCC[C@@H]([NH2+]CCNC(=O)[C@H]3CC[N@H+](C)C3)C2=O)cn1 ZINC001151066987 831019407 /nfs/dbraw/zinc/01/94/07/831019407.db2.gz ZTJJUFYZIHHLAQ-DZGCQCFKSA-N 2 0 348.451 -0.427 20 0 EBADRP Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)[C@H]3CC[N@H+](C)C3)C2=O)n1 ZINC001151066279 831020054 /nfs/dbraw/zinc/02/00/54/831020054.db2.gz RKXYVCFFGYFNOE-QWHCGFSZSA-N 2 0 334.424 -0.817 20 0 EBADRP CN(Cc1cnn(C)c1)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151066656 831020392 /nfs/dbraw/zinc/02/03/92/831020392.db2.gz WTPPKBLKWCOAMC-CQSZACIVSA-N 2 0 336.440 -0.964 20 0 EBADRP CS(=O)(=O)N1CC[C@H](C[NH2+]CCNC(=O)C[NH+]2CCCC2)C1 ZINC001151096768 831025403 /nfs/dbraw/zinc/02/54/03/831025403.db2.gz GBPGYEBHXUDYJF-CYBMUJFWSA-N 2 0 332.470 -0.931 20 0 EBADRP O=C(C[NH+]1CCCC1)NCC[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC001151101212 831026569 /nfs/dbraw/zinc/02/65/69/831026569.db2.gz QJNXHGCTJBBOIW-NSHDSACASA-N 2 0 336.358 -0.049 20 0 EBADRP COc1ccc(C[NH2+]CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)nn1 ZINC001151158593 831034767 /nfs/dbraw/zinc/03/47/67/831034767.db2.gz PQUKXGWRXISIFJ-ZDUSSCGKSA-N 2 0 337.424 -0.341 20 0 EBADRP CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1=O ZINC001151158616 831035467 /nfs/dbraw/zinc/03/54/67/831035467.db2.gz QFCWYLOAMPRSAS-KBPBESRZSA-N 2 0 326.441 -0.719 20 0 EBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H](C)C[NH+]2CCOCC2)C1=O ZINC001151158620 831035573 /nfs/dbraw/zinc/03/55/73/831035573.db2.gz QFCWYLOAMPRSAS-ZIAGYGMSSA-N 2 0 326.441 -0.719 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152145306 831134246 /nfs/dbraw/zinc/13/42/46/831134246.db2.gz AEFJJVIYNQQJDK-KBPBESRZSA-N 2 0 328.457 -0.282 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)c1cccc(C[NH+](C)C)c1)C(=O)NC(N)=O ZINC001152245195 831144455 /nfs/dbraw/zinc/14/44/55/831144455.db2.gz CTYNHSRAUKQZRZ-NSHDSACASA-N 2 0 335.408 -0.349 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)c1ccccc1C[NH+](C)C)C(=O)NC(N)=O ZINC001152383872 831156388 /nfs/dbraw/zinc/15/63/88/831156388.db2.gz KUNPTUGMBQUWKA-NSHDSACASA-N 2 0 335.408 -0.349 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001152444904 831163270 /nfs/dbraw/zinc/16/32/70/831163270.db2.gz BFOVIPUCUHUGPI-QWHCGFSZSA-N 2 0 341.456 -0.199 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001152444905 831163482 /nfs/dbraw/zinc/16/34/82/831163482.db2.gz BFOVIPUCUHUGPI-STQMWFEESA-N 2 0 341.456 -0.199 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001152452061 831164247 /nfs/dbraw/zinc/16/42/47/831164247.db2.gz RKWWTYVBFFRSDN-ZDUSSCGKSA-N 2 0 334.486 -0.542 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)[NH+]1CCCC1 ZINC001152473090 831166768 /nfs/dbraw/zinc/16/67/68/831166768.db2.gz VPEKXCVKHGUTOL-AWEZNQCLSA-N 2 0 348.513 -0.296 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)CCCC[NH+]1CCCC1 ZINC001153314882 831222546 /nfs/dbraw/zinc/22/25/46/831222546.db2.gz REXDTRBHNJJXSA-MRXNPFEDSA-N 2 0 345.484 -0.018 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001155789916 831430226 /nfs/dbraw/zinc/43/02/26/831430226.db2.gz HRHMPOONJSBFHF-KGLIPLIRSA-N 2 0 326.441 -0.528 20 0 EBADRP CC[N@H+](CCOCCO)[C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001156057784 831451568 /nfs/dbraw/zinc/45/15/68/831451568.db2.gz FHCNXRYEDKKDAJ-OAHLLOKOSA-N 2 0 345.484 -0.067 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001157323054 831553873 /nfs/dbraw/zinc/55/38/73/831553873.db2.gz KGZNZVQPLRIBGF-OLZOCXBDSA-N 2 0 326.441 -0.495 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001157323055 831554126 /nfs/dbraw/zinc/55/41/26/831554126.db2.gz KGZNZVQPLRIBGF-STQMWFEESA-N 2 0 326.441 -0.495 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1cccnc1O[C@H]1CC[NH2+]C1 ZINC001157351910 831556797 /nfs/dbraw/zinc/55/67/97/831556797.db2.gz IDSILZWNHNKXQU-JSGCOSHPSA-N 2 0 349.435 -0.204 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1nc2c(s1)C[NH2+]CC2 ZINC001157356622 831558079 /nfs/dbraw/zinc/55/80/79/831558079.db2.gz OXFCFKAXINATGN-JTQLQIEISA-N 2 0 325.438 -0.238 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)C[C@@H]1COCC[NH2+]1)C(=O)N1CCCC1 ZINC001157379922 831563062 /nfs/dbraw/zinc/56/30/62/831563062.db2.gz RGWBQGASYBFSHJ-KGLIPLIRSA-N 2 0 326.441 -0.399 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])CO1)C(=O)N1CCCC1 ZINC001157379926 831563270 /nfs/dbraw/zinc/56/32/70/831563270.db2.gz RHYOIIYSQASKPX-RDBSUJKOSA-N 2 0 326.441 -0.271 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001157496805 831571960 /nfs/dbraw/zinc/57/19/60/831571960.db2.gz HWQBZLGMGJOKCC-KBPBESRZSA-N 2 0 326.441 -0.447 20 0 EBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001157717014 831587285 /nfs/dbraw/zinc/58/72/85/831587285.db2.gz WFTRXPPWCRIODZ-WRSAYESZSA-N 2 0 344.415 -0.457 20 0 EBADRP C[C@H]1[C@@H]([NH3+])CCCN1c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001157732128 831587856 /nfs/dbraw/zinc/58/78/56/831587856.db2.gz IAYKXBMTAKLUMF-JQWIXIFHSA-N 2 0 339.465 -0.116 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158040065 831622046 /nfs/dbraw/zinc/62/20/46/831622046.db2.gz VKOMZIWYLGISOT-NWDGAFQWSA-N 2 0 325.413 -0.848 20 0 EBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158101050 831628047 /nfs/dbraw/zinc/62/80/47/831628047.db2.gz GOYUTOBOIFIYQF-BBRMVZONSA-N 3 0 325.457 -0.828 20 0 EBADRP C[C@@H](OCc1ccccc1)[C@H]([NH3+])C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158102656 831628273 /nfs/dbraw/zinc/62/82/73/831628273.db2.gz UXIOYAKGOWOUCM-SKDZVZGDSA-N 2 0 346.431 -0.391 20 0 EBADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)c1 ZINC001158101573 831628348 /nfs/dbraw/zinc/62/83/48/831628348.db2.gz KAHYMHNYAWFCRC-WMLDXEAASA-N 2 0 332.404 -0.745 20 0 EBADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119007 831629892 /nfs/dbraw/zinc/62/98/92/831629892.db2.gz FQGQTFDCHMAGKC-DAHDECFMSA-N 2 0 332.448 -0.155 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(=O)NC(N)=O ZINC001158202142 831638718 /nfs/dbraw/zinc/63/87/18/831638718.db2.gz DNCJAIJIZKVPHR-PWSUYJOCSA-N 2 0 325.413 -0.993 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158197191 831638735 /nfs/dbraw/zinc/63/87/35/831638735.db2.gz SGWLPUNYDQGYTK-INIZCTEOSA-N 2 0 340.468 -0.423 20 0 EBADRP O=C(NCCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001158196810 831639017 /nfs/dbraw/zinc/63/90/17/831639017.db2.gz OJGPSBWZSYGKGK-DZGCQCFKSA-N 2 0 343.493 -0.141 20 0 EBADRP C[C@]1(C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)CC[NH2+]C[C@@H]1O ZINC001158260533 831640575 /nfs/dbraw/zinc/64/05/75/831640575.db2.gz FSKALWURQRWLDC-WFASDCNBSA-N 2 0 334.424 -0.941 20 0 EBADRP C[C@]1(C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)CC[NH2+]C[C@H]1O ZINC001158260530 831640725 /nfs/dbraw/zinc/64/07/25/831640725.db2.gz FSKALWURQRWLDC-DOMZBBRYSA-N 2 0 334.424 -0.941 20 0 EBADRP O=C(COC1CC[NH2+]CC1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158263181 831642028 /nfs/dbraw/zinc/64/20/28/831642028.db2.gz ZMBJCJRBXPGIHM-UHFFFAOYSA-N 2 0 334.424 -0.532 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158261469 831642159 /nfs/dbraw/zinc/64/21/59/831642159.db2.gz MHZABLMLZAFVMP-ZDUSSCGKSA-N 3 0 335.456 -0.584 20 0 EBADRP NC(=[NH2+])NCCCCC(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277530 831643034 /nfs/dbraw/zinc/64/30/34/831643034.db2.gz PQOOVJZPJLHYSY-UHFFFAOYSA-N 2 0 334.428 -0.648 20 0 EBADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306011 831644561 /nfs/dbraw/zinc/64/45/61/831644561.db2.gz NGVLHZHJOXSNON-SGMGOOAPSA-N 2 0 332.408 -0.866 20 0 EBADRP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H]1CC[NH2+]1)C2 ZINC001158379839 831650301 /nfs/dbraw/zinc/65/03/01/831650301.db2.gz BCWIKGDISPKIJA-TVYUQYBPSA-N 2 0 335.326 -0.108 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158379822 831650552 /nfs/dbraw/zinc/65/05/52/831650552.db2.gz IPYPWIPKDNDQPE-QJPTWQEYSA-N 2 0 327.429 -0.733 20 0 EBADRP CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001158413893 831652484 /nfs/dbraw/zinc/65/24/84/831652484.db2.gz BTOFZNDHOOJQPD-PBFPGSCMSA-N 2 0 337.420 -0.634 20 0 EBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158487363 831659423 /nfs/dbraw/zinc/65/94/23/831659423.db2.gz YQJXGOCMVWUQCB-KGLIPLIRSA-N 2 0 326.441 -0.530 20 0 EBADRP CCN(CC)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158486626 831660020 /nfs/dbraw/zinc/66/00/20/831660020.db2.gz PTEROGGKIIYRDN-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[NH2+]C[C@@H]2CCO[C@@H]21 ZINC001158497738 831660975 /nfs/dbraw/zinc/66/09/75/831660975.db2.gz GBSVJMUEISIZGY-UJOWSUJOSA-N 2 0 337.420 -0.637 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[C@@H](OC)CC[NH2+]1 ZINC001158507332 831662032 /nfs/dbraw/zinc/66/20/32/831662032.db2.gz XSHNXDJHOHBAGR-HTVCTNPSSA-N 2 0 325.409 -0.495 20 0 EBADRP CC(C)CNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158506170 831662135 /nfs/dbraw/zinc/66/21/35/831662135.db2.gz IHKAPQGNGWDOEB-GJZGRUSLSA-N 2 0 340.468 -0.282 20 0 EBADRP CCn1cc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)nn1 ZINC001158507028 831662259 /nfs/dbraw/zinc/66/22/59/831662259.db2.gz OJYMDJMTTAJCTC-GJZGRUSLSA-N 2 0 336.440 -0.243 20 0 EBADRP O=C([C@H]1CNC(=O)C12CC[NH2+]CC2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158533267 831663067 /nfs/dbraw/zinc/66/30/67/831663067.db2.gz JIBPUNPHXKCVRW-UHQDVWGKSA-N 2 0 348.447 -0.918 20 0 EBADRP N[C@@H](CC[NH3+])C(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158661677 831676464 /nfs/dbraw/zinc/67/64/64/831676464.db2.gz YUEJGMIAHJISHR-NSHDSACASA-N 2 0 331.380 -0.680 20 0 EBADRP CC(C)N(C(=O)[C@@]12C[NH2+]C[C@H]1CCN2)c1ncnc2c1CC[NH2+]CC2 ZINC001158759365 831683793 /nfs/dbraw/zinc/68/37/93/831683793.db2.gz NCAWKGKHVVPNKN-FZKQIMNGSA-N 2 0 344.463 -0.142 20 0 EBADRP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@]13C[NH2+]C[C@H]1CCN3)CC2 ZINC001158890297 831693844 /nfs/dbraw/zinc/69/38/44/831693844.db2.gz CGEOLCQYZZYADX-RDTXWAMCSA-N 2 0 349.479 -0.859 20 0 EBADRP [NH3+][C@H]1CN[C@H](C(=O)N(c2ncccc2F)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)C1 ZINC001158903631 831694889 /nfs/dbraw/zinc/69/48/89/831694889.db2.gz NZGLBGQGISJKDL-NVNVUAJTSA-N 2 0 349.410 -0.236 20 0 EBADRP CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])C[C@H]21 ZINC001159109228 831708855 /nfs/dbraw/zinc/70/88/55/831708855.db2.gz NIMQQCJRPGICRN-LJISPDSOSA-N 2 0 340.468 -0.168 20 0 EBADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)C1 ZINC001159132604 831710718 /nfs/dbraw/zinc/71/07/18/831710718.db2.gz BPKIABKESYITSP-JSGCOSHPSA-N 2 0 331.424 -0.304 20 0 EBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159160393 831713331 /nfs/dbraw/zinc/71/33/31/831713331.db2.gz JUBZYTSDAOYLEU-HUUCEWRRSA-N 2 0 333.436 -0.414 20 0 EBADRP [NH3+]CCC[NH2+]CC(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159159274 831713722 /nfs/dbraw/zinc/71/37/22/831713722.db2.gz ZOCJECRTDGAGFD-UHFFFAOYSA-N 3 0 334.468 -0.198 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159161495 831714049 /nfs/dbraw/zinc/71/40/49/831714049.db2.gz ZGFAWSYJLXGQAY-HNNXBMFYSA-N 3 0 334.468 -0.070 20 0 EBADRP CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)[C@H]([NH3+])CCC[NH3+])C[C@@H]21 ZINC001159191728 831717669 /nfs/dbraw/zinc/71/76/69/831717669.db2.gz JGFRKVGRAKIMEK-IGQOVBAYSA-N 2 0 341.456 -0.813 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(=O)NCC ZINC001159327763 831740318 /nfs/dbraw/zinc/74/03/18/831740318.db2.gz OQJXIDMAYSJNEA-ZDUSSCGKSA-N 2 0 341.456 -0.198 20 0 EBADRP CC(C)CC(=O)NC[C@]12COC[C@H]1CN(C(=O)[C@H]([NH3+])CCC[NH3+])C2 ZINC001159540640 831760422 /nfs/dbraw/zinc/76/04/22/831760422.db2.gz DFSMEEFXNSCCSP-CPUCHLNUSA-N 2 0 340.468 -0.310 20 0 EBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001159549856 831760510 /nfs/dbraw/zinc/76/05/10/831760510.db2.gz SXKLLLQFFLRUSN-KBPBESRZSA-N 2 0 333.436 -0.020 20 0 EBADRP C[C@@H]1CCCN1C(=O)c1n[nH]c2c1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC2 ZINC001159607991 831765196 /nfs/dbraw/zinc/76/51/96/831765196.db2.gz DTLWZYHMYOMVIU-YPMHNXCESA-N 2 0 348.451 -0.015 20 0 EBADRP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@]3(N)CCC[NH2+]C3)CC[C@@H]2C1 ZINC001159637571 831767549 /nfs/dbraw/zinc/76/75/49/831767549.db2.gz ZQFDDQNQUUZLEC-INMHGKMJSA-N 2 0 340.468 -0.737 20 0 EBADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159664139 831770314 /nfs/dbraw/zinc/77/03/14/831770314.db2.gz CMVUQVGKAMOOLI-HZMVEIRTSA-N 2 0 346.431 -0.536 20 0 EBADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159665306 831770418 /nfs/dbraw/zinc/77/04/18/831770418.db2.gz JGIKDLZZMTTZGT-TWMKSMIVSA-N 2 0 346.431 -0.394 20 0 EBADRP O=C([C@@H]1C[NH2+]CCN1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159666002 831770726 /nfs/dbraw/zinc/77/07/26/831770726.db2.gz NPOKSLZBMVIOIY-ULQDDVLXSA-N 2 0 345.447 -0.555 20 0 EBADRP Cn1cc(N2C[C@@]3(CCN(C(=O)[C@H]([NH3+])CCC[NH3+])C3)CC2=O)cn1 ZINC001159750404 831778697 /nfs/dbraw/zinc/77/86/97/831778697.db2.gz KEEOKLCJGFUWBE-CJNGLKHVSA-N 2 0 334.424 -0.558 20 0 EBADRP C[NH+](C)C1(C(=O)NCCC[NH2+]CC(=O)NC(=O)NC2CC2)CCC1 ZINC001159855011 831788658 /nfs/dbraw/zinc/78/86/58/831788658.db2.gz ZTNLCITXZOOFKO-UHFFFAOYSA-N 2 0 339.440 -0.445 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)C(N)=O ZINC001159868691 831790374 /nfs/dbraw/zinc/79/03/74/831790374.db2.gz JZFVHWRGGYTNQN-TZMCWYRMSA-N 2 0 326.441 -0.401 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001159911415 831796348 /nfs/dbraw/zinc/79/63/48/831796348.db2.gz YEVQBNHUZHCVTQ-LBPRGKRZSA-N 2 0 327.429 -0.460 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159916735 831797022 /nfs/dbraw/zinc/79/70/22/831797022.db2.gz RONIGXUCGQXRNS-HNNXBMFYSA-N 2 0 328.457 -0.425 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159914202 831797105 /nfs/dbraw/zinc/79/71/05/831797105.db2.gz BLRJYQBKJKDBAI-CYBMUJFWSA-N 2 0 327.429 -0.732 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1)C1CC1 ZINC001159914210 831797272 /nfs/dbraw/zinc/79/72/72/831797272.db2.gz BLXHSEOYNNOQTG-CQSZACIVSA-N 2 0 339.440 -0.589 20 0 EBADRP Cn1cncc1C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001159930311 831797748 /nfs/dbraw/zinc/79/77/48/831797748.db2.gz RMFMHQFIHVYOMH-HRCADAONSA-N 2 0 334.468 -0.473 20 0 EBADRP Cc1ccc(N(C(=O)CNCC[NH3+])[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001160060462 831811473 /nfs/dbraw/zinc/81/14/73/831811473.db2.gz VGPWKWMQJNSKJJ-PBHICJAKSA-N 2 0 348.451 -0.423 20 0 EBADRP CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@H]([NH3+])C1CC[NH2+]CC1)CCO2 ZINC001160179503 831822584 /nfs/dbraw/zinc/82/25/84/831822584.db2.gz LNKYLLTUULVMHF-NVXWUHKLSA-N 2 0 338.452 -0.447 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1C[C@@H]2C(=O)N(c3cnn(C)c3)C[C@@H]2C1 ZINC001160219291 831826447 /nfs/dbraw/zinc/82/64/47/831826447.db2.gz WBGPIGWCJKXYQG-QEJZJMRPSA-N 2 0 348.451 -0.442 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001160275144 831830386 /nfs/dbraw/zinc/83/03/86/831830386.db2.gz ZVZGYHXECILMTN-JKSUJKDBSA-N 2 0 345.484 -0.019 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001160274462 831830973 /nfs/dbraw/zinc/83/09/73/831830973.db2.gz SVCKECKWVMBCCQ-ZDUSSCGKSA-N 2 0 341.456 -0.198 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(=O)NC(N)=O ZINC001160274746 831830980 /nfs/dbraw/zinc/83/09/80/831830980.db2.gz WMWSAKHFOJSWHU-RYUDHWBXSA-N 2 0 327.429 -0.460 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160425945 831848117 /nfs/dbraw/zinc/84/81/17/831848117.db2.gz ARLYTVSHPCFWNV-NEPJUHHUSA-N 2 0 329.445 -0.487 20 0 EBADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O)[NH+](C)C ZINC001160427900 831848134 /nfs/dbraw/zinc/84/81/34/831848134.db2.gz XFFHFRYPYVISFQ-ZDUSSCGKSA-N 2 0 336.502 -0.440 20 0 EBADRP COC(=O)CN1CCN(C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)CC1 ZINC001160535747 831861070 /nfs/dbraw/zinc/86/10/70/831861070.db2.gz VDNNJQAFOXWHJO-AWEZNQCLSA-N 2 0 328.457 -0.201 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCN(CCCS(C)(=O)=O)CC1 ZINC001160586138 831867458 /nfs/dbraw/zinc/86/74/58/831867458.db2.gz XHVHEAXVZFLANO-AWEZNQCLSA-N 2 0 348.513 -0.718 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@@]23C(=O)Nc2ccccc23)CCO1 ZINC001160644158 831873873 /nfs/dbraw/zinc/87/38/73/831873873.db2.gz VEEULWRGRICMSL-BNLOLNQZSA-N 2 0 330.388 -0.718 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CN(c2ccccc2)C3)CCO1 ZINC001160644300 831875047 /nfs/dbraw/zinc/87/50/47/831875047.db2.gz YKIXCJNXXUZURP-ZVZYQTTQSA-N 2 0 330.432 -0.102 20 0 EBADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001160669272 831877746 /nfs/dbraw/zinc/87/77/46/831877746.db2.gz ABWLZFIHYDWLQB-AWEZNQCLSA-N 2 0 338.452 -0.970 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC(OCC(=O)NC2CC2)CC1 ZINC001160742607 831881403 /nfs/dbraw/zinc/88/14/03/831881403.db2.gz PXKUYTIEMCVZPC-ZDUSSCGKSA-N 2 0 344.481 -0.708 20 0 EBADRP CCOC(=O)c1nc2c(o1)CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2 ZINC001160823792 831892307 /nfs/dbraw/zinc/89/23/07/831892307.db2.gz JPACSWNZQUIVIZ-VIFPVBQESA-N 2 0 342.421 -0.245 20 0 EBADRP CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160824829 831892546 /nfs/dbraw/zinc/89/25/46/831892546.db2.gz RONDKBFLCGVVRO-CMPLNLGQSA-N 2 0 341.437 -0.582 20 0 EBADRP O=C(NCCC[NH2+][C@@H]1CCC(=O)NC1=O)C12CCC[NH+](CCC1)C2 ZINC001160835130 831892707 /nfs/dbraw/zinc/89/27/07/831892707.db2.gz VIZLXYSQPNBCOF-CYBMUJFWSA-N 2 0 336.436 -0.237 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160867564 831900908 /nfs/dbraw/zinc/90/09/08/831900908.db2.gz HGNJBGWTOGLCGW-CHWSQXEVSA-N 2 0 339.440 -0.445 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160870009 831901920 /nfs/dbraw/zinc/90/19/20/831901920.db2.gz UUMYTBCJSPPLPB-ZIAGYGMSSA-N 2 0 346.497 -0.352 20 0 EBADRP Cn1cnnc1C[NH2+]CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001160951646 831909224 /nfs/dbraw/zinc/90/92/24/831909224.db2.gz MGJGFQBSTCBUJX-UHFFFAOYSA-N 2 0 338.456 -0.231 20 0 EBADRP [NH3+][C@H]1CN(C(=O)[C@H]2Cn3cnnc3C23CC[NH2+]CC3)CC(F)(F)C1 ZINC001160968651 831911171 /nfs/dbraw/zinc/91/11/71/831911171.db2.gz UEEBEAIQVOWABC-GHMZBOCLSA-N 2 0 340.378 -0.276 20 0 EBADRP COC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161026619 831915185 /nfs/dbraw/zinc/91/51/85/831915185.db2.gz SCGUQPCUONNGEG-LSDHHAIUSA-N 2 0 329.400 -0.078 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)Nc1cnccn1 ZINC001161043304 831917073 /nfs/dbraw/zinc/91/70/73/831917073.db2.gz ZXKDISBWBKWCGV-CYBMUJFWSA-N 2 0 334.424 -0.005 20 0 EBADRP C[NH+](C)CCC(=O)NCCC1=CC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001161089054 831922553 /nfs/dbraw/zinc/92/25/53/831922553.db2.gz HLAHLAGHSFUCFH-AWEZNQCLSA-N 2 0 336.436 -0.118 20 0 EBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)OCC ZINC001161158517 831933480 /nfs/dbraw/zinc/93/34/80/831933480.db2.gz JJKNRMYBMBRROF-VXGBXAGGSA-N 2 0 329.397 -0.874 20 0 EBADRP CN(C(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219608 831937611 /nfs/dbraw/zinc/93/76/11/831937611.db2.gz RSSBIYPTJDXYPN-QNWHQSFQSA-N 2 0 327.450 -0.923 20 0 EBADRP [NH3+]CCNCC(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198755 831937646 /nfs/dbraw/zinc/93/76/46/831937646.db2.gz WZGOJRHGMHRAKI-UHFFFAOYSA-N 2 0 341.500 -0.915 20 0 EBADRP COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001161239241 831939518 /nfs/dbraw/zinc/93/95/18/831939518.db2.gz YIYYPRSMZXPKRW-KBPBESRZSA-N 2 0 328.457 -0.202 20 0 EBADRP CCS(=O)(=O)NC1CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001161264166 831943238 /nfs/dbraw/zinc/94/32/38/831943238.db2.gz KDCLWAGMIIBRCX-ZDUSSCGKSA-N 2 0 332.470 -0.756 20 0 EBADRP COc1cc(C)nc(N(C(=O)[C@H]2C[NH2+]C[C@@H]2O)C2CC[NH2+]CC2)n1 ZINC001161309473 831947175 /nfs/dbraw/zinc/94/71/75/831947175.db2.gz QHGNNKJTVNHIFB-STQMWFEESA-N 2 0 335.408 -0.541 20 0 EBADRP COc1cc(C)nc(N(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C2CC[NH2+]CC2)n1 ZINC001161309178 831947597 /nfs/dbraw/zinc/94/75/97/831947597.db2.gz MTPWTEGQVPHYFA-STQMWFEESA-N 2 0 335.408 -0.399 20 0 EBADRP CCN(C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)[NH3+])[C@@H]1CCC[NH2+]C1 ZINC001161341499 831949815 /nfs/dbraw/zinc/94/98/15/831949815.db2.gz VQFROBRUORWFRJ-XQQFMLRXSA-N 2 0 326.441 -0.102 20 0 EBADRP [NH3+]C1CCN([C@H]2CCN(C(=O)[C@H]3C[NH2+]Cc4ccnn4C3)C2)CC1 ZINC001161373303 831951177 /nfs/dbraw/zinc/95/11/77/831951177.db2.gz NYSNRGRJIAJBKT-BBRMVZONSA-N 2 0 332.452 -0.374 20 0 EBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161380780 831951435 /nfs/dbraw/zinc/95/14/35/831951435.db2.gz VIXRICIKMQVRFN-CVEARBPZSA-N 2 0 339.484 -0.356 20 0 EBADRP COc1cc(N(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)C2CC[NH2+]CC2)ccn1 ZINC001161386514 831952861 /nfs/dbraw/zinc/95/28/61/831952861.db2.gz QZKMRCGCEPIKIS-HNNXBMFYSA-N 3 0 345.447 -0.016 20 0 EBADRP COc1cc(O[C@@H]2CCN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C2)ccn1 ZINC001161395002 831953741 /nfs/dbraw/zinc/95/37/41/831953741.db2.gz QTTOSSYAGLJIAP-KGLIPLIRSA-N 2 0 332.404 -0.121 20 0 EBADRP CCn1nnc2c1[C@H](C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1)CNC2 ZINC001161442953 831957921 /nfs/dbraw/zinc/95/79/21/831957921.db2.gz JFXDTAVHYICSDZ-UONOGXRCSA-N 2 0 349.483 -0.373 20 0 EBADRP COC(=O)[C@@H]1C[C@H](C(=O)N(CC[NH+](C)C)[C@H]2CCC[NH2+]C2)CCN1 ZINC001161444339 831957928 /nfs/dbraw/zinc/95/79/28/831957928.db2.gz GIYOYQGWVJDCMT-ILXRZTDVSA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@]2(C(=O)OC)CC[NH2+][C@H]2C1 ZINC001161476258 831962361 /nfs/dbraw/zinc/96/23/61/831962361.db2.gz CDLDFUNODSBWRM-HEHGZKQESA-N 3 0 326.441 -0.543 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])Cc1cscn1)CC2 ZINC001161478218 831963376 /nfs/dbraw/zinc/96/33/76/831963376.db2.gz LOZDAMLUGIVQMZ-HUBLWGQQSA-N 2 0 338.433 -0.234 20 0 EBADRP CN1C(=O)CC[C@@H]2CN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)CC[C@H]21 ZINC001161481220 831964348 /nfs/dbraw/zinc/96/43/48/831964348.db2.gz CXEGAMBPJGSWIU-BPLDGKMQSA-N 2 0 337.468 -0.794 20 0 EBADRP C[NH2+][C@@H]1CCCN(CC(=O)N2CC[C@]3(C(=O)OC)CC[NH2+][C@@H]3C2)C1 ZINC001161482957 831964522 /nfs/dbraw/zinc/96/45/22/831964522.db2.gz YDYWXOBJQNDGPB-CKEIUWERSA-N 2 0 338.452 -0.576 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@H]1CC[C@H]3[NH2+]CC[C@H]3O1)CC2 ZINC001161481280 831964551 /nfs/dbraw/zinc/96/45/51/831964551.db2.gz XIUNAUXJTMDHQQ-MNLSVMLLSA-N 2 0 337.420 -0.351 20 0 EBADRP CO[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CN(c2ccccc2)C3)C[C@@H]1[NH3+] ZINC001161493770 831965826 /nfs/dbraw/zinc/96/58/26/831965826.db2.gz RHKOXPNIDQWYAK-KMANFZQXSA-N 2 0 330.432 -0.103 20 0 EBADRP C[C@@H]1CN(C2CN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)C2)C[C@H](C)O1 ZINC001161499115 831966974 /nfs/dbraw/zinc/96/69/74/831966974.db2.gz NYFRSJNKDWOQHM-DVOMOZLQSA-N 2 0 339.484 -0.943 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)c2ccc3c(c2)[C@@H]2C[NH2+]C[C@@H]2NC3=O)CC12COC2 ZINC001161506892 831967621 /nfs/dbraw/zinc/96/76/21/831967621.db2.gz PSGVZIVOEDMPBE-SOUVJXGZSA-N 2 0 342.399 -0.715 20 0 EBADRP [NH3+][C@H]1CN(C(=O)c2cccc(CN3CC[NH2+]CC3)c2)CC12COC2 ZINC001161508365 831967929 /nfs/dbraw/zinc/96/79/29/831967929.db2.gz YYIILYLDFMSIRD-INIZCTEOSA-N 2 0 330.432 -0.109 20 0 EBADRP CCOC(=O)c1c2c(nn1C)CN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001161602340 831976928 /nfs/dbraw/zinc/97/69/28/831976928.db2.gz WOQZHGLIQCUJON-NSHDSACASA-N 2 0 333.392 -0.752 20 0 EBADRP CCOC(=O)c1c2c(nn1C)CN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001161602337 831977295 /nfs/dbraw/zinc/97/72/95/831977295.db2.gz WOQZHGLIQCUJON-LLVKDONJSA-N 2 0 333.392 -0.752 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001162617490 832056307 /nfs/dbraw/zinc/05/63/07/832056307.db2.gz JMMIYJNKOINACE-UHFFFAOYSA-N 2 0 346.391 -0.111 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001162617782 832057421 /nfs/dbraw/zinc/05/74/21/832057421.db2.gz RWKQADHHTNIXDT-NSHDSACASA-N 2 0 346.391 -0.112 20 0 EBADRP CS(=O)(=O)c1nc2c(c(N[C@@H]3C=C[C@H]4C[NH2+]C[C@H]43)n1)CC[NH2+]CC2 ZINC001162790028 832063165 /nfs/dbraw/zinc/06/31/65/832063165.db2.gz PTQHSUQUQWGQOB-CYZMBNFOSA-N 2 0 349.460 -0.246 20 0 EBADRP O=C(NCCC[NH2+]Cc1cnns1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162871988 832067387 /nfs/dbraw/zinc/06/73/87/832067387.db2.gz CKIFFUIGYJELAI-QRJNDHJOSA-N 2 0 337.449 -0.003 20 0 EBADRP Cn1ncc(C[NH2+]CCCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)n1 ZINC001162872529 832068568 /nfs/dbraw/zinc/06/85/68/832068568.db2.gz VASLBLUMJRGCOC-UGWHAMFMSA-N 2 0 334.424 -0.726 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)c1nnnn1C ZINC001162872463 832068616 /nfs/dbraw/zinc/06/86/16/832068616.db2.gz SPISAXZRSXRLBY-ZMDMRTEPSA-N 2 0 349.439 -0.770 20 0 EBADRP O=C(NCCC[NH2+]Cc1ncccn1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872072 832068689 /nfs/dbraw/zinc/06/86/89/832068689.db2.gz GAKGCVNRWGQCGC-UUCFBXCCSA-N 2 0 331.420 -0.064 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)NC1CC1 ZINC001162872452 832068905 /nfs/dbraw/zinc/06/89/05/832068905.db2.gz SHXGECGCMDGJCF-TVIZTDCDSA-N 2 0 336.436 -0.776 20 0 EBADRP c1nc(O[C@@H]2CC[NH2+]C2)ncc1NCc1nnc2n1CCC[NH2+]C2 ZINC001163017694 832076525 /nfs/dbraw/zinc/07/65/25/832076525.db2.gz REEQUPXGNSIGQZ-GFCCVEGCSA-N 2 0 330.396 -0.086 20 0 EBADRP Cc1cc(OC2CC[NH2+]CC2)nc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)n1 ZINC001163234788 832091481 /nfs/dbraw/zinc/09/14/81/832091481.db2.gz BQWLLVLMWJGYCV-WBMJQRKESA-N 2 0 332.408 -0.094 20 0 EBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cccc3nc([C@H]4C[NH2+]CCO4)cn32)N1 ZINC001163252789 832094064 /nfs/dbraw/zinc/09/40/64/832094064.db2.gz IRLAFEIWPZNGSI-IGCXYCKISA-N 2 0 342.403 -0.015 20 0 EBADRP COC(=O)[C@H](C[NH3+])Cc1ccc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)cc1 ZINC001163255165 832094451 /nfs/dbraw/zinc/09/44/51/832094451.db2.gz XAFBDITYCVUPEX-QEORTHHSSA-N 2 0 332.404 -0.033 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001163290626 832098665 /nfs/dbraw/zinc/09/86/65/832098665.db2.gz LHQGINLIEFNMCO-UHFFFAOYSA-N 2 0 341.456 -0.198 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001163822194 832142275 /nfs/dbraw/zinc/14/22/75/832142275.db2.gz VGDAIKBCCASRBK-LBPRGKRZSA-N 2 0 339.440 -0.588 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001164449596 832188427 /nfs/dbraw/zinc/18/84/27/832188427.db2.gz NOJOQQQBHYMREZ-CYBMUJFWSA-N 2 0 338.456 -0.174 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@H]2CCCNC2=O)C1 ZINC001164538426 832195558 /nfs/dbraw/zinc/19/55/58/832195558.db2.gz GVNUSIBMKIGURO-UONOGXRCSA-N 2 0 326.441 -0.530 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@@H]2CCCNC2=O)C1 ZINC001164538424 832195752 /nfs/dbraw/zinc/19/57/52/832195752.db2.gz GVNUSIBMKIGURO-KGLIPLIRSA-N 2 0 326.441 -0.530 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NS(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC001350910047 832203767 /nfs/dbraw/zinc/20/37/67/832203767.db2.gz NCXAAWJYEGNPJI-AWEZNQCLSA-N 2 0 346.497 -0.352 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165253860 832208679 /nfs/dbraw/zinc/20/86/79/832208679.db2.gz JEWQDRBZLHJUJB-UHFFFAOYSA-N 2 0 328.457 -0.423 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)CCC[NH+](C)C)CCO1 ZINC001165361133 832217747 /nfs/dbraw/zinc/21/77/47/832217747.db2.gz YUJSWERHGSAHBR-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP COC(=O)[C@@H]1C[NH2+]CCN1c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001165438948 832220440 /nfs/dbraw/zinc/22/04/40/832220440.db2.gz MNDMLKXNDOUWBI-ZDUSSCGKSA-N 2 0 333.392 -0.922 20 0 EBADRP C[NH+](C)CCC(=O)NCCC[NH2+]CC(=O)Nc1ccccc1C(N)=O ZINC001165793870 832238166 /nfs/dbraw/zinc/23/81/66/832238166.db2.gz DYMYFNGIRJXFCU-UHFFFAOYSA-N 2 0 349.435 -0.228 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)CC[NH+](C)C)C(=O)NC[C@@H]1CCCO1 ZINC001165788594 832238280 /nfs/dbraw/zinc/23/82/80/832238280.db2.gz RUILRCTXURJPKJ-KBPBESRZSA-N 2 0 328.457 -0.282 20 0 EBADRP C[NH+](C)CCC(=O)NCCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001165800830 832238393 /nfs/dbraw/zinc/23/83/93/832238393.db2.gz JNWCBDFTVUHXKA-UHFFFAOYSA-N 2 0 327.429 -0.636 20 0 EBADRP CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCOCC1)[NH+](C)C ZINC001166004532 832245790 /nfs/dbraw/zinc/24/57/90/832245790.db2.gz QOQQWRQNKABNGM-OAHLLOKOSA-N 2 0 328.457 -0.473 20 0 EBADRP CC[C@H](C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+](CC)CC ZINC001166425946 832261009 /nfs/dbraw/zinc/26/10/09/832261009.db2.gz XMOMHLLRJXNUGR-GFCCVEGCSA-N 2 0 326.445 -0.175 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001166676769 832278773 /nfs/dbraw/zinc/27/87/73/832278773.db2.gz CEVOYKHVHUHVFK-CABCVRRESA-N 2 0 340.468 -0.423 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166676673 832278888 /nfs/dbraw/zinc/27/88/88/832278888.db2.gz AYGDKPNFJBTBES-HUUCEWRRSA-N 2 0 331.457 -0.552 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001166694058 832280331 /nfs/dbraw/zinc/28/03/31/832280331.db2.gz UUYHJVPFGKFOIB-OLZOCXBDSA-N 2 0 334.486 -0.781 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCc1cccnc1 ZINC001166706992 832281850 /nfs/dbraw/zinc/28/18/50/832281850.db2.gz BYOWCZXWDIWUDC-ZBFHGGJFSA-N 2 0 347.463 -0.009 20 0 EBADRP CC[C@@H](C(=O)NCCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)[NH+](C)C ZINC001166865469 832294814 /nfs/dbraw/zinc/29/48/14/832294814.db2.gz DTVVPFILVDMGOS-KGLIPLIRSA-N 2 0 348.513 -0.296 20 0 EBADRP COC(=O)C1(Nc2ccc(N3CC[NH2+][C@@H](C)C3)nn2)CC[NH2+]CC1 ZINC001166922481 832298808 /nfs/dbraw/zinc/29/88/08/832298808.db2.gz AAWXJFQQAXIEDP-LBPRGKRZSA-N 2 0 334.424 -0.018 20 0 EBADRP C[C@@H](COCC(=O)NCCC[NH2+][C@@H]1CCCNC1=O)[NH+]1CCCC1 ZINC001166931869 832300090 /nfs/dbraw/zinc/30/00/90/832300090.db2.gz XYVOYUCHWSYZGC-LSDHHAIUSA-N 2 0 340.468 -0.138 20 0 EBADRP C[C@H](COCC(=O)NCCC1(C[NH2+]CC(N)=O)CC1)[NH+]1CCCC1 ZINC001167274019 832323162 /nfs/dbraw/zinc/32/31/62/832323162.db2.gz INFHSTSYNMGZSX-CQSZACIVSA-N 2 0 340.468 -0.151 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001167641320 832361628 /nfs/dbraw/zinc/36/16/28/832361628.db2.gz XZQKZDHCLRAYCA-GFCCVEGCSA-N 2 0 341.456 -0.212 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H](C)O1 ZINC001352730756 832362044 /nfs/dbraw/zinc/36/20/44/832362044.db2.gz RGAVBDWGTNASIQ-RDBSUJKOSA-N 2 0 328.457 -0.380 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC1(C[NH2+]CC(=O)NC2CC2)CC1 ZINC001167732830 832368433 /nfs/dbraw/zinc/36/84/33/832368433.db2.gz OGWNRACFVCXFAP-UHFFFAOYSA-N 2 0 340.468 -0.281 20 0 EBADRP [NH2+]=C(NCCCC[NH3+])Nc1nc2nc[nH]c2c(N2CCOCC2)n1 ZINC001167877482 832380967 /nfs/dbraw/zinc/38/09/67/832380967.db2.gz DOPYQGVCKYFAEK-UHFFFAOYSA-N 2 0 333.400 -0.135 20 0 EBADRP C[NH+]1CCC(NC(=O)c2ccc(NC(=[NH2+])NCCCC[NH3+])nn2)CC1 ZINC001167880638 832381718 /nfs/dbraw/zinc/38/17/18/832381718.db2.gz STJSBUCXDGRHSN-UHFFFAOYSA-N 3 0 348.455 -0.024 20 0 EBADRP Cn1ncnc1C[NH2+]CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001168044441 832389907 /nfs/dbraw/zinc/38/99/07/832389907.db2.gz UXGATZYRXHYGFA-UHFFFAOYSA-N 2 0 334.428 -0.517 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001353297735 832420560 /nfs/dbraw/zinc/42/05/60/832420560.db2.gz FMVIEGOMKRFAPL-NSHDSACASA-N 2 0 336.383 -0.958 20 0 EBADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC001353335443 832422997 /nfs/dbraw/zinc/42/29/97/832422997.db2.gz NEZXABVMOQTHKN-NEPJUHHUSA-N 2 0 332.395 -0.243 20 0 EBADRP [NH3+]CCNCC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001353591497 832434790 /nfs/dbraw/zinc/43/47/90/832434790.db2.gz OAKLPCRBEYLMLA-UHFFFAOYSA-N 2 0 335.456 -0.957 20 0 EBADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@H]2C[NH2+]CCN2C)CC1 ZINC001353698006 832441248 /nfs/dbraw/zinc/44/12/48/832441248.db2.gz BKRHFFGEZZFNBB-CQSZACIVSA-N 2 0 326.441 -0.719 20 0 EBADRP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[NH+]1CCC(CO)CC1 ZINC001353751524 832443735 /nfs/dbraw/zinc/44/37/35/832443735.db2.gz BYHLUKWZGKAXOR-AWEZNQCLSA-N 2 0 326.441 -0.853 20 0 EBADRP C[NH+](C)CCCNC(=O)c1cccnc1-n1cncc1C[C@@H]([NH3+])CO ZINC001169072355 832446862 /nfs/dbraw/zinc/44/68/62/832446862.db2.gz RDHGVNSXQKJFGE-CYBMUJFWSA-N 2 0 346.435 -0.189 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)COC1CC[NH+](C)CC1)C(=O)N(C)C ZINC001169531381 832466986 /nfs/dbraw/zinc/46/69/86/832466986.db2.gz PLJZNNSJLRDXTC-CYBMUJFWSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169808727 832477156 /nfs/dbraw/zinc/47/71/56/832477156.db2.gz DKKYLBHBWRBSRJ-RYUDHWBXSA-N 2 0 327.429 -0.460 20 0 EBADRP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)NC(=O)COCC[NH+](C)C ZINC001354530244 832498276 /nfs/dbraw/zinc/49/82/76/832498276.db2.gz BBRYTVDMIBKHOV-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP CS(=O)(=O)N1CCN(c2cccc(N[C@@H]([NH3+])CCC[NH3+])n2)CC1 ZINC001170898773 832530455 /nfs/dbraw/zinc/53/04/55/832530455.db2.gz VSYFIFJSCNBQIM-GFCCVEGCSA-N 2 0 342.469 -0.401 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CC(=O)NCC(F)(F)F ZINC001171198918 832550627 /nfs/dbraw/zinc/55/06/27/832550627.db2.gz SJGQDNOHDJPBDL-UHFFFAOYSA-N 2 0 342.362 -0.661 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001171205190 832550677 /nfs/dbraw/zinc/55/06/77/832550677.db2.gz QBORIQOFVFFIER-CQSZACIVSA-N 2 0 349.497 -0.515 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]Cc1noc2c1COCC2 ZINC001171204905 832550709 /nfs/dbraw/zinc/55/07/09/832550709.db2.gz HRPBVOIMBIEWGA-UHFFFAOYSA-N 2 0 340.424 -0.079 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CC1CCS(=O)(=O)CC1 ZINC001171204532 832550726 /nfs/dbraw/zinc/55/07/26/832550726.db2.gz BRCNZZWSDNATDF-UHFFFAOYSA-N 2 0 349.497 -0.515 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171215912 832551335 /nfs/dbraw/zinc/55/13/35/832551335.db2.gz GDCMDJNXQLSZSO-AWEZNQCLSA-N 2 0 348.513 -0.247 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171216385 832551560 /nfs/dbraw/zinc/55/15/60/832551560.db2.gz HQFYWUMILRYHDI-GFCCVEGCSA-N 2 0 327.429 -0.730 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171216386 832551700 /nfs/dbraw/zinc/55/17/00/832551700.db2.gz HQFYWUMILRYHDI-LBPRGKRZSA-N 2 0 327.429 -0.730 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171229655 832552294 /nfs/dbraw/zinc/55/22/94/832552294.db2.gz ZVXHDWHTPIGJLT-NEPJUHHUSA-N 2 0 327.429 -0.732 20 0 EBADRP C[C@@H](NC(=O)C[NH2+]CCCNC(=O)COCC[NH+](C)C)C1CC1 ZINC001171218739 832552352 /nfs/dbraw/zinc/55/23/52/832552352.db2.gz SKLPLHQRQXXZCI-CYBMUJFWSA-N 2 0 328.457 -0.425 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171229659 832552501 /nfs/dbraw/zinc/55/25/01/832552501.db2.gz ZVXHDWHTPIGJLT-RYUDHWBXSA-N 2 0 327.429 -0.732 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)COCC[NH+](C)C)C(=O)NC(C)(C)C ZINC001171218672 832552667 /nfs/dbraw/zinc/55/26/67/832552667.db2.gz RBGKCKKRYMYCBN-ZDUSSCGKSA-N 2 0 330.473 -0.036 20 0 EBADRP C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001171238265 832553416 /nfs/dbraw/zinc/55/34/16/832553416.db2.gz SXVSZWGXGHQJGX-LBPRGKRZSA-N 2 0 341.456 -0.070 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2)NCC(F)(F)F ZINC001171303600 832555339 /nfs/dbraw/zinc/55/53/39/832555339.db2.gz SQULDZCIGACQJA-UHFFFAOYSA-N 2 0 336.358 -0.143 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2)Nc1nncs1 ZINC001171311947 832555379 /nfs/dbraw/zinc/55/53/79/832555379.db2.gz VGPTYCMGGDAGMN-UHFFFAOYSA-N 2 0 338.437 -0.332 20 0 EBADRP COCCCNC(=O)C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171303489 832555680 /nfs/dbraw/zinc/55/56/80/832555680.db2.gz NBWCPMWTIJERCK-UHFFFAOYSA-N 2 0 326.441 -0.669 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001171354888 832557423 /nfs/dbraw/zinc/55/74/23/832557423.db2.gz RQZBYNVRSSHJAR-UHFFFAOYSA-N 2 0 349.435 -0.284 20 0 EBADRP C[NH+](C)CCCCC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001171578864 832566177 /nfs/dbraw/zinc/56/61/77/832566177.db2.gz JXOQYDJNQJXZGR-OAHLLOKOSA-N 2 0 342.484 -0.033 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]CC(=O)NC(=O)NCC ZINC001171725825 832574196 /nfs/dbraw/zinc/57/41/96/832574196.db2.gz SEIDAZXUPYCJGF-UHFFFAOYSA-N 2 0 329.445 -0.340 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]CC(=O)NCCOCC ZINC001171725164 832574329 /nfs/dbraw/zinc/57/43/29/832574329.db2.gz GNWHRMZUTHLJBM-UHFFFAOYSA-N 2 0 330.473 -0.033 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]C[C@@H](O)CO[C@H](C)COC ZINC001171762363 832574651 /nfs/dbraw/zinc/57/46/51/832574651.db2.gz AYVSMOZLELCDOE-HUUCEWRRSA-N 2 0 333.473 -0.164 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NCC ZINC001171758292 832574923 /nfs/dbraw/zinc/57/49/23/832574923.db2.gz VOLPJLXTFUWEEE-LBPRGKRZSA-N 2 0 329.445 -0.342 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001171770689 832575656 /nfs/dbraw/zinc/57/56/56/832575656.db2.gz XSYNLSBFPVQVRF-CVEARBPZSA-N 2 0 345.484 -0.019 20 0 EBADRP O=C(NCC[NH2+]CCNC(=O)[C@]12C[C@H]1CCC[NH2+]2)[C@]12C[C@H]1CCC[NH2+]2 ZINC001355792515 832583824 /nfs/dbraw/zinc/58/38/24/832583824.db2.gz GULIMXDZZDTQDO-KNCCTNLNSA-N 3 0 349.479 -0.907 20 0 EBADRP O=C(NCCC[NH2+]C[C@H](O)Cn1cccn1)[C@@]12CC[N@H+](C1)CCC2 ZINC001174767146 832598439 /nfs/dbraw/zinc/59/84/39/832598439.db2.gz ACPNHNQZESZVDO-RDJZCZTQSA-N 2 0 335.452 -0.174 20 0 EBADRP C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)CCC[NH+](C)C ZINC001174950547 832607651 /nfs/dbraw/zinc/60/76/51/832607651.db2.gz XEXNMEPDWPQZNV-LBPRGKRZSA-N 2 0 329.445 -0.212 20 0 EBADRP C[C@@H](CCCC[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)CC[NH+](C)C ZINC001175056666 832614055 /nfs/dbraw/zinc/61/40/55/832614055.db2.gz MZZVWSBYLHJDPL-RYUDHWBXSA-N 2 0 329.445 -0.214 20 0 EBADRP C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001175664060 832638464 /nfs/dbraw/zinc/63/84/64/832638464.db2.gz OZAPTPZWXXHDDW-ZDUSSCGKSA-N 2 0 338.456 -0.192 20 0 EBADRP C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001175664059 832638690 /nfs/dbraw/zinc/63/86/90/832638690.db2.gz OZAPTPZWXXHDDW-CYBMUJFWSA-N 2 0 338.456 -0.192 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NC(N)=O ZINC001176024448 832653635 /nfs/dbraw/zinc/65/36/35/832653635.db2.gz OHGNEJWUTPUTNR-LBPRGKRZSA-N 2 0 329.445 -0.212 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]C[C@@H](O)COCC(F)(F)F)C1 ZINC001176056841 832654435 /nfs/dbraw/zinc/65/44/35/832654435.db2.gz KZBJBOMUHFQOOI-VXGBXAGGSA-N 2 0 341.374 -0.026 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001176058135 832655148 /nfs/dbraw/zinc/65/51/48/832655148.db2.gz VHFVBHQMQAKCNG-KGLIPLIRSA-N 2 0 326.441 -0.813 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001176072314 832655523 /nfs/dbraw/zinc/65/55/23/832655523.db2.gz PIJZMBQMSXMCMZ-NSHDSACASA-N 2 0 325.413 -0.978 20 0 EBADRP C[C@H](CCCC[NH2+][C@H]1CCNC1=O)NC(=O)COCC[NH+](C)C ZINC001176156007 832660181 /nfs/dbraw/zinc/66/01/81/832660181.db2.gz FGUDROBLQYCOIE-KGLIPLIRSA-N 2 0 328.457 -0.282 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1)c1nnnn1C ZINC001176161034 832660306 /nfs/dbraw/zinc/66/03/06/832660306.db2.gz MAXACIURVORTHN-QWHCGFSZSA-N 2 0 339.444 -0.665 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CCCS(C)(=O)=O ZINC001176161755 832660500 /nfs/dbraw/zinc/66/05/00/832660500.db2.gz RMZOGPLUYHYMGH-AWEZNQCLSA-N 2 0 349.497 -0.515 20 0 EBADRP CC(C)CNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176161481 832660517 /nfs/dbraw/zinc/66/05/17/832660517.db2.gz QMIBDTLXZCZGAF-HNNXBMFYSA-N 2 0 342.484 -0.177 20 0 EBADRP CCn1ncc(C[NH2+]CCCNC(=O)[C@@H](C)C[NH+]2CCOCC2)n1 ZINC001176168603 832661160 /nfs/dbraw/zinc/66/11/60/832661160.db2.gz FHTUBIBXKFWDTO-AWEZNQCLSA-N 2 0 338.456 -0.138 20 0 EBADRP C[C@H](CCCC[NH2+]Cc1nnnn1C)NC(=O)COCC[NH+](C)C ZINC001176165263 832661366 /nfs/dbraw/zinc/66/13/66/832661366.db2.gz KPBIXWJMOGOSQW-CYBMUJFWSA-N 2 0 341.460 -0.447 20 0 EBADRP C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001176184161 832661825 /nfs/dbraw/zinc/66/18/25/832661825.db2.gz HLFCQBCEKLBMGS-GFCCVEGCSA-N 2 0 339.440 -0.458 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001176986806 832725965 /nfs/dbraw/zinc/72/59/65/832725965.db2.gz WKBRKRLBPLVGPZ-AWEZNQCLSA-N 2 0 328.457 -0.425 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CCCC[NH+]1CCCC1 ZINC001177333249 832774943 /nfs/dbraw/zinc/77/49/43/832774943.db2.gz VYAUCCQEFFQJGA-UHFFFAOYSA-N 2 0 341.456 -0.196 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178361286 832853706 /nfs/dbraw/zinc/85/37/06/832853706.db2.gz XFZWKXKMTZERHH-MELADBBJSA-N 2 0 346.497 -0.401 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C)C(=O)NC(N)=O ZINC001178902317 832928424 /nfs/dbraw/zinc/92/84/24/832928424.db2.gz KUQDPMBQHQEYSZ-MDZLAQPJSA-N 2 0 339.440 -0.367 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)[C@@H]1C)[NH+](C)C ZINC001178985769 832937582 /nfs/dbraw/zinc/93/75/82/832937582.db2.gz XCVMTHCGDGIKBR-MROQNXINSA-N 2 0 341.456 -0.250 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]C[C@@H](O)COCCOC)[C@@H]1C)[NH+](C)C ZINC001178990021 832938085 /nfs/dbraw/zinc/93/80/85/832938085.db2.gz FOHKEHNGSIOAOT-XUWVNRHRSA-N 2 0 345.484 -0.071 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001179337842 832971083 /nfs/dbraw/zinc/97/10/83/832971083.db2.gz ZGODWWNKEPIJKN-SRVKXCTJSA-N 2 0 325.413 -0.755 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C)[NH+](CC)CC ZINC001179517353 832984829 /nfs/dbraw/zinc/98/48/29/832984829.db2.gz QDPRYFLXLGMLEK-RWMBFGLXSA-N 2 0 341.456 -0.119 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)[C@@H]1C)[NH+](C)C ZINC001179549951 832988744 /nfs/dbraw/zinc/98/87/44/832988744.db2.gz NWRPLEMVHSDCFW-SRVKXCTJSA-N 2 0 327.429 -0.639 20 0 EBADRP CC(C)CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187106252 833901299 /nfs/dbraw/zinc/90/12/99/833901299.db2.gz CUKXDKGGKAEMBK-LSDHHAIUSA-N 2 0 342.484 -0.084 20 0 EBADRP CCCC[C@@H]([NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)C(N)=O ZINC001187106814 833901459 /nfs/dbraw/zinc/90/14/59/833901459.db2.gz MTAQGUZAIJSLAA-ZIAGYGMSSA-N 2 0 328.457 -0.201 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]CCOC[C@@H]2CCCO2)C1 ZINC001187107272 833901531 /nfs/dbraw/zinc/90/15/31/833901531.db2.gz ZTCWXSOEGSFJJY-CVEARBPZSA-N 2 0 343.468 -0.049 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001187298358 833916954 /nfs/dbraw/zinc/91/69/54/833916954.db2.gz DQXRPMFSOJUMPU-CQSZACIVSA-N 2 0 325.457 -0.066 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC3(CS(C)(=O)=O)CC3)C2)C1 ZINC001187824911 833971577 /nfs/dbraw/zinc/97/15/77/833971577.db2.gz BXABRCIUMIMFPB-UONOGXRCSA-N 2 0 343.493 -0.047 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187825460 833972125 /nfs/dbraw/zinc/97/21/25/833972125.db2.gz MEEULTOCHJIJOZ-QWHCGFSZSA-N 2 0 332.470 -0.932 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)C(=O)NC(N)=O ZINC001188083583 833999916 /nfs/dbraw/zinc/99/99/16/833999916.db2.gz CNCYGSGCCUPADG-CHWSQXEVSA-N 2 0 339.440 -0.364 20 0 EBADRP C[C@H](C(=O)NC(N)=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189802090 834193329 /nfs/dbraw/zinc/19/33/29/834193329.db2.gz RTWXFMXYFADVRA-FRRDWIJNSA-N 2 0 349.435 -0.802 20 0 EBADRP CN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)COCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189819852 834194837 /nfs/dbraw/zinc/19/48/37/834194837.db2.gz BEYUFTLRPLQOKG-RRFJBIMHSA-N 2 0 338.452 -0.672 20 0 EBADRP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001213368743 837757502 /nfs/dbraw/zinc/75/75/02/837757502.db2.gz GGKMMCBJPLCQRX-HUUCEWRRSA-N 2 0 329.441 -0.848 20 0 EBADRP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)C[NH+](C)CC(C)(C)C ZINC001213446442 837774268 /nfs/dbraw/zinc/77/42/68/837774268.db2.gz LBUVWXSNGGCWSO-HUUCEWRRSA-N 2 0 345.484 -0.211 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192027907 834593842 /nfs/dbraw/zinc/59/38/42/834593842.db2.gz AUKYSMSZGDJQFU-NEPJUHHUSA-N 2 0 339.440 -0.556 20 0 EBADRP CNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001193077933 834791415 /nfs/dbraw/zinc/79/14/15/834791415.db2.gz OYLSHYHGGMTBEE-UONOGXRCSA-N 2 0 340.468 -0.236 20 0 EBADRP CNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001193077932 834791733 /nfs/dbraw/zinc/79/17/33/834791733.db2.gz OYLSHYHGGMTBEE-KGLIPLIRSA-N 2 0 340.468 -0.236 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@@H](C)C(=O)NC(N)=O)C1 ZINC001193278904 834824435 /nfs/dbraw/zinc/82/44/35/834824435.db2.gz KURYCOXDKPPAKH-NWDGAFQWSA-N 2 0 327.429 -0.556 20 0 EBADRP CN1CCC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)C1=O ZINC001193487782 834886972 /nfs/dbraw/zinc/88/69/72/834886972.db2.gz FNUGDHUEIZVIOH-HUUCEWRRSA-N 2 0 340.468 -0.282 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)[C@H](C)C(=O)NC(N)=O)C1 ZINC001193643579 834921670 /nfs/dbraw/zinc/92/16/70/834921670.db2.gz XCWSNUVCEFZXGU-NEPJUHHUSA-N 2 0 327.429 -0.556 20 0 EBADRP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213638343 837826542 /nfs/dbraw/zinc/82/65/42/837826542.db2.gz JZBUJIAHQIIDKQ-FVQBIDKESA-N 2 0 343.468 -0.053 20 0 EBADRP CC(=O)NCCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194001330 834993788 /nfs/dbraw/zinc/99/37/88/834993788.db2.gz GXZSXFZMNKKNEY-HOTGVXAUSA-N 2 0 340.468 -0.377 20 0 EBADRP COCCOC[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194040786 835006339 /nfs/dbraw/zinc/00/63/39/835006339.db2.gz SJPNBLVDVUUJRC-CVEARBPZSA-N 2 0 343.468 -0.361 20 0 EBADRP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)CCCC1 ZINC001195006036 835175360 /nfs/dbraw/zinc/17/53/60/835175360.db2.gz CZYIGEJITRZXIG-HUUCEWRRSA-N 2 0 343.468 -0.579 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195006273 835175794 /nfs/dbraw/zinc/17/57/94/835175794.db2.gz FAUGQCFJHQQJCG-RBSFLKMASA-N 2 0 343.468 -0.581 20 0 EBADRP Cn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)cn1 ZINC001195677805 835271805 /nfs/dbraw/zinc/27/18/05/835271805.db2.gz UMXLIHRNZWJOND-HUUCEWRRSA-N 2 0 335.452 -0.534 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001195677431 835271832 /nfs/dbraw/zinc/27/18/32/835271832.db2.gz PZGOQYFSXXUCDP-RBSFLKMASA-N 2 0 325.453 -0.084 20 0 EBADRP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196250975 835379426 /nfs/dbraw/zinc/37/94/26/835379426.db2.gz DFDRXNNJRCRYJY-ARFHVFGLSA-N 2 0 343.468 -0.315 20 0 EBADRP CC[C@@H](C(=O)N1CCC[N@H+](C[C@@H](O)COCCOC)CC1)[NH+](C)C ZINC001197173342 835519175 /nfs/dbraw/zinc/51/91/75/835519175.db2.gz ZKRYKIMVUSDJKR-CVEARBPZSA-N 2 0 345.484 -0.115 20 0 EBADRP C[C@H](C(N)=O)N1CCCN(C(=O)COC[C@H](C)[NH+]2CCCC2)CC1 ZINC001197187338 835520325 /nfs/dbraw/zinc/52/03/25/835520325.db2.gz DYOXGWJSURPHFZ-LSDHHAIUSA-N 2 0 340.468 -0.105 20 0 EBADRP Cc1cc(C(=O)NCCN(CC[NH3+])N(O)N=O)nn1-c1cc[nH+]cc1 ZINC001197545397 835574011 /nfs/dbraw/zinc/57/40/11/835574011.db2.gz NIJREHLMLDCLQV-UHFFFAOYSA-N 2 0 348.367 -0.146 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[NH+](C[C@H](O)COCCOC)CC1 ZINC001197707879 835599914 /nfs/dbraw/zinc/59/99/14/835599914.db2.gz PVTXYCXCWVHGQW-INIZCTEOSA-N 2 0 345.484 -0.114 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1O ZINC001198699339 835711345 /nfs/dbraw/zinc/71/13/45/835711345.db2.gz NIHLPSAZLWWJGA-NUEKZKHPSA-N 2 0 325.453 -0.084 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023250 835750836 /nfs/dbraw/zinc/75/08/36/835750836.db2.gz DDDDYQXKFTXVJZ-RBSFLKMASA-N 2 0 329.441 -0.969 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200115460 835911474 /nfs/dbraw/zinc/91/14/74/835911474.db2.gz MKBZFZMEOTXZBY-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200121906 835913162 /nfs/dbraw/zinc/91/31/62/835913162.db2.gz AABITWJMIBXOJJ-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCn2cncn2)C1 ZINC001200123598 835914250 /nfs/dbraw/zinc/91/42/50/835914250.db2.gz QDBCNBXEVOXAMN-CABCVRRESA-N 2 0 336.440 -0.421 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001200508280 835975518 /nfs/dbraw/zinc/97/55/18/835975518.db2.gz YKHOVNXBJBKBNW-CYBMUJFWSA-N 2 0 339.440 -0.365 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CC(=O)NC(N)=O)CC2)CC[N@@H+]1C ZINC001200643193 836005042 /nfs/dbraw/zinc/00/50/42/836005042.db2.gz AXIBQJJFVBUKOO-QWHCGFSZSA-N 2 0 339.440 -0.508 20 0 EBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCCO1)C(N)=O ZINC001200687895 836015430 /nfs/dbraw/zinc/01/54/30/836015430.db2.gz HUAWFYPCQITQOQ-CHWSQXEVSA-N 2 0 326.441 -0.448 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1 ZINC001200703376 836020522 /nfs/dbraw/zinc/02/05/22/836020522.db2.gz CBCILNNDAFXQGW-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@H+](CC(=O)N1CCCO[C@@H](C[NH2+]CCOCCO)C1)C1CCC1 ZINC001200705501 836021144 /nfs/dbraw/zinc/02/11/44/836021144.db2.gz XSBRKSFTMOKPRY-INIZCTEOSA-N 2 0 343.468 -0.313 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200720936 836022833 /nfs/dbraw/zinc/02/28/33/836022833.db2.gz FCNWNQCRVHBJSZ-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CCCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001200851159 836046717 /nfs/dbraw/zinc/04/67/17/836046717.db2.gz MKTRRTSATWOYFY-KGLIPLIRSA-N 2 0 340.468 -0.188 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001200851255 836048997 /nfs/dbraw/zinc/04/89/97/836048997.db2.gz MKTRRTSATWOYFY-UONOGXRCSA-N 2 0 340.468 -0.188 20 0 EBADRP NC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CCCO1 ZINC001200975041 836075895 /nfs/dbraw/zinc/07/58/95/836075895.db2.gz AEOGNQXMAZQOBR-CQSZACIVSA-N 2 0 331.376 -0.360 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001201137712 836100536 /nfs/dbraw/zinc/10/05/36/836100536.db2.gz BIFRUTXSBMZZIP-RBSFLKMASA-N 2 0 329.441 -0.705 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)C1 ZINC001201226154 836113036 /nfs/dbraw/zinc/11/30/36/836113036.db2.gz VJAPHMYWQWQAHM-CABCVRRESA-N 2 0 340.468 -0.199 20 0 EBADRP CC[C@H](C(=O)N1CCC([NH2+]CC(=O)NC(=O)NC)CC1)[NH+](C)C ZINC001201240177 836115499 /nfs/dbraw/zinc/11/54/99/836115499.db2.gz PHXBNVOACPSQCN-GFCCVEGCSA-N 2 0 327.429 -0.637 20 0 EBADRP CC[C@H]([NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1)C(N)=O ZINC001201259513 836119003 /nfs/dbraw/zinc/11/90/03/836119003.db2.gz ARUJKAHYQBXJSJ-KBPBESRZSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1)C(N)=O ZINC001201262039 836120140 /nfs/dbraw/zinc/12/01/40/836120140.db2.gz ROUVZJMNNUWCKV-CHWSQXEVSA-N 2 0 326.441 -0.591 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001201277600 836121792 /nfs/dbraw/zinc/12/17/92/836121792.db2.gz VEIMWAGGHIGOLK-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201277396 836122045 /nfs/dbraw/zinc/12/20/45/836122045.db2.gz QYYDDWWXXAMFPS-HNNXBMFYSA-N 2 0 338.456 -0.136 20 0 EBADRP CN1CCC[C@@H]([NH2+]C[C@H]2CN(C(=O)CC[NH+](C)C)CCCO2)C1=O ZINC001201335038 836130904 /nfs/dbraw/zinc/13/09/04/836130904.db2.gz MMHBSSQUMPNJFB-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCCO[C@@H](C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001201404825 836141219 /nfs/dbraw/zinc/14/12/19/836141219.db2.gz XMNDCDVKOCGEIS-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H]([NH2+]C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CCCO1)C(N)=O ZINC001201569100 836160441 /nfs/dbraw/zinc/16/04/41/836160441.db2.gz MOLFJROVDQKLPJ-HIFRSBDPSA-N 2 0 340.468 -0.201 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001201677431 836174525 /nfs/dbraw/zinc/17/45/25/836174525.db2.gz BHAQXNUKXTUXHQ-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001201677430 836174539 /nfs/dbraw/zinc/17/45/39/836174539.db2.gz BHAQXNUKXTUXHQ-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCCO[C@H](C[NH2+]Cc2cnnn2C)C1 ZINC001201679636 836176018 /nfs/dbraw/zinc/17/60/18/836176018.db2.gz YJPHSSVTVUGTBH-OAHLLOKOSA-N 2 0 338.456 -0.136 20 0 EBADRP CNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001201701364 836179271 /nfs/dbraw/zinc/17/92/71/836179271.db2.gz LSXIITCQPPRTPU-KDJCLPLCSA-N 2 0 336.436 -0.824 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001201908957 836213522 /nfs/dbraw/zinc/21/35/22/836213522.db2.gz SFNXVZNFDYCGOS-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001201931624 836218075 /nfs/dbraw/zinc/21/80/75/836218075.db2.gz MSFPDWBSFOZHBR-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP O=C(C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1)NC1CC1 ZINC001202048561 836241194 /nfs/dbraw/zinc/24/11/94/836241194.db2.gz BLNMBCBIDWAIDI-HNNXBMFYSA-N 2 0 338.452 -0.432 20 0 EBADRP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202048882 836241221 /nfs/dbraw/zinc/24/12/21/836241221.db2.gz IPKGBMLAWMJWNI-OAHLLOKOSA-N 2 0 340.468 -0.185 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001202058250 836244614 /nfs/dbraw/zinc/24/46/14/836244614.db2.gz IYPHLILKSIPRDD-KGLIPLIRSA-N 2 0 347.481 -0.810 20 0 EBADRP COCC[NH2+]C[C@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CCCO1 ZINC001202069093 836248476 /nfs/dbraw/zinc/24/84/76/836248476.db2.gz LKILKCZQXIOCNJ-HOTGVXAUSA-N 2 0 343.468 -0.192 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001202147721 836260819 /nfs/dbraw/zinc/26/08/19/836260819.db2.gz JWAFPTQGEDPCLL-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCCO1 ZINC001202140862 836261903 /nfs/dbraw/zinc/26/19/03/836261903.db2.gz HHXKGWJKINMRQX-OAHLLOKOSA-N 2 0 340.468 -0.185 20 0 EBADRP NC(=O)C[NH2+]C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CCCO1 ZINC001202208158 836275166 /nfs/dbraw/zinc/27/51/66/836275166.db2.gz JRCUOGHTQPPIHI-HNNXBMFYSA-N 2 0 340.468 -0.055 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCC([NH2+]CCNS(C)(=O)=O)CC2)CC1 ZINC001202297235 836289480 /nfs/dbraw/zinc/28/94/80/836289480.db2.gz WOZQBIVUOKZIRW-UHFFFAOYSA-N 2 0 346.497 -0.542 20 0 EBADRP C[C@H]([NH2+]C1CCN(C(=O)C2CC[NH+](C)CC2)CC1)C(=O)NC(N)=O ZINC001202296301 836289732 /nfs/dbraw/zinc/28/97/32/836289732.db2.gz FCYGUCCINRJJNW-NSHDSACASA-N 2 0 339.440 -0.508 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001202496487 836309320 /nfs/dbraw/zinc/30/93/20/836309320.db2.gz SSECNIHNPUPBDD-GFCCVEGCSA-N 2 0 339.440 -0.493 20 0 EBADRP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[NH+](C[C@H]3CCC(=O)N3)CC[C@@H]2C1 ZINC001202831324 836356663 /nfs/dbraw/zinc/35/66/63/836356663.db2.gz LGNMIVYUBIOWJG-RBSFLKMASA-N 2 0 338.452 -0.624 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC([NH2+]CC(=O)NC(=O)NC)CC1 ZINC001203006177 836381759 /nfs/dbraw/zinc/38/17/59/836381759.db2.gz VOIZLJUDACBQJL-UHFFFAOYSA-N 2 0 327.429 -0.636 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC([NH2+]CCNC(=O)C2CC2)CC1 ZINC001203348927 836423690 /nfs/dbraw/zinc/42/36/90/836423690.db2.gz DXIQNEPRPISETQ-UHFFFAOYSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H]([NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1)C(=O)NC(N)=O ZINC001203354680 836424466 /nfs/dbraw/zinc/42/44/66/836424466.db2.gz FLVDIYZNPXYTOF-NSHDSACASA-N 2 0 337.424 -0.754 20 0 EBADRP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)C(=O)NC(N)=O ZINC001203699727 836462625 /nfs/dbraw/zinc/46/26/25/836462625.db2.gz QYHJFOMGFDPAGK-WDEREUQCSA-N 2 0 325.413 -0.898 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC(C[NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001206780280 836676577 /nfs/dbraw/zinc/67/65/77/836676577.db2.gz VFAFIFRUWDGTKV-GFCCVEGCSA-N 2 0 341.456 -0.260 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC(C[NH2+][C@H](C)C(N)=O)CC1 ZINC001206930242 836715817 /nfs/dbraw/zinc/71/58/17/836715817.db2.gz YXGSKYFWMIBLSB-ZIAGYGMSSA-N 2 0 340.468 -0.343 20 0 EBADRP C[C@H]([NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)C(=O)NC(N)=O ZINC001206929233 836716002 /nfs/dbraw/zinc/71/60/02/836716002.db2.gz ZXBLUIWISYGWGA-WCQYABFASA-N 2 0 339.440 -0.650 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001207687671 836844996 /nfs/dbraw/zinc/84/49/96/836844996.db2.gz ICXKHPRFVKAQST-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001207688609 836846300 /nfs/dbraw/zinc/84/63/00/836846300.db2.gz RBEVIBAQHCHJED-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CS(=O)(=O)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001208055768 836937624 /nfs/dbraw/zinc/93/76/24/836937624.db2.gz FJJPQFJHFAEYQP-LSDHHAIUSA-N 2 0 343.493 -0.047 20 0 EBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(CC[NH+](C)C)CC2 ZINC001208127044 836948155 /nfs/dbraw/zinc/94/81/55/836948155.db2.gz JDGMXUCOZFVBHB-UHFFFAOYSA-N 2 0 325.501 -0.282 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208357891 837005206 /nfs/dbraw/zinc/00/52/06/837005206.db2.gz DLTNZPJOESYZMS-OLZOCXBDSA-N 2 0 339.440 -0.364 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001208414629 837026736 /nfs/dbraw/zinc/02/67/36/837026736.db2.gz UHHRUKYUILXCQZ-QWHCGFSZSA-N 2 0 334.486 -0.544 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001208498677 837067017 /nfs/dbraw/zinc/06/70/17/837067017.db2.gz TWIQDDNUEWUYHU-GFCCVEGCSA-N 2 0 344.375 -0.277 20 0 EBADRP COCCOC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209325026 837157053 /nfs/dbraw/zinc/15/70/53/837157053.db2.gz WJZRZLUWQAVEKC-HZPDHXFCSA-N 2 0 345.484 -0.067 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1)C(=O)NC(N)=O ZINC001209419508 837165557 /nfs/dbraw/zinc/16/55/57/837165557.db2.gz NDKIUTQEIPKVGG-YPMHNXCESA-N 2 0 339.440 -0.508 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001209445639 837167278 /nfs/dbraw/zinc/16/72/78/837167278.db2.gz NXTOKADZLLXIFY-CQSZACIVSA-N 2 0 346.497 -0.446 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209455237 837167974 /nfs/dbraw/zinc/16/79/74/837167974.db2.gz RXYNOADFYVVCKY-CQSZACIVSA-N 2 0 348.513 -0.200 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC001209643180 837185516 /nfs/dbraw/zinc/18/55/16/837185516.db2.gz VMFTVPLUWXSCAU-CHWSQXEVSA-N 2 0 339.440 -0.684 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001209669782 837188836 /nfs/dbraw/zinc/18/88/36/837188836.db2.gz UHHRUKYUILXCQZ-STQMWFEESA-N 2 0 334.486 -0.544 20 0 EBADRP C[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210314597 837269061 /nfs/dbraw/zinc/26/90/61/837269061.db2.gz BJDLAVBUNISCRA-GDBMZVCRSA-N 2 0 337.468 -0.023 20 0 EBADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210321731 837270990 /nfs/dbraw/zinc/27/09/90/837270990.db2.gz KKNQWCITFSAMFW-HZSPNIEDSA-N 2 0 328.457 -0.522 20 0 EBADRP CNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001210338543 837273440 /nfs/dbraw/zinc/27/34/40/837273440.db2.gz FYZZAGTTXLFBNM-KBPBESRZSA-N 2 0 340.468 -0.188 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001210484834 837290520 /nfs/dbraw/zinc/29/05/20/837290520.db2.gz FAUBYJNBFAHVAT-MCIONIFRSA-N 2 0 338.452 -0.040 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COCCOC)C[C@H]1C ZINC001210521868 837292229 /nfs/dbraw/zinc/29/22/29/837292229.db2.gz WZKRWQGPCGNFAW-OWCLPIDISA-N 2 0 345.484 -0.211 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001210685226 837320435 /nfs/dbraw/zinc/32/04/35/837320435.db2.gz QELFAHNUSDZPTH-AWEZNQCLSA-N 2 0 341.456 -0.830 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210751150 837328438 /nfs/dbraw/zinc/32/84/38/837328438.db2.gz ULGQXUSXCGSSFW-CYBMUJFWSA-N 2 0 341.456 -0.246 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001210774017 837330172 /nfs/dbraw/zinc/33/01/72/837330172.db2.gz QMFDOQOUWDDXPN-ZDUSSCGKSA-N 2 0 338.456 -0.079 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]CCNS(=O)(=O)CC)C1 ZINC001210812185 837333129 /nfs/dbraw/zinc/33/31/29/837333129.db2.gz UJPNPLOURKDAAR-AWEZNQCLSA-N 2 0 348.513 -0.152 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001210812035 837333168 /nfs/dbraw/zinc/33/31/68/837333168.db2.gz SZYPXOVEMGQYIT-LBPRGKRZSA-N 2 0 327.429 -0.636 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001210810830 837333269 /nfs/dbraw/zinc/33/32/69/837333269.db2.gz DVYVYWJKMRXUEP-STQMWFEESA-N 2 0 341.456 -0.247 20 0 EBADRP CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001211025247 837370591 /nfs/dbraw/zinc/37/05/91/837370591.db2.gz HCCDPFNUZDLYKU-FVQBIDKESA-N 2 0 340.468 -0.473 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)Nc3cnccn3)C2)C1 ZINC001211063815 837376252 /nfs/dbraw/zinc/37/62/52/837376252.db2.gz APOCSDJLCZEUPF-ZIAGYGMSSA-N 2 0 346.435 -0.053 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)Nc3cnccn3)C2)C1 ZINC001211063814 837376368 /nfs/dbraw/zinc/37/63/68/837376368.db2.gz APOCSDJLCZEUPF-UONOGXRCSA-N 2 0 346.435 -0.053 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211064062 837376804 /nfs/dbraw/zinc/37/68/04/837376804.db2.gz HRIKBNAYTCSUNE-CVEARBPZSA-N 2 0 340.468 -0.329 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211090656 837384504 /nfs/dbraw/zinc/38/45/04/837384504.db2.gz KOXGMDMVVDTNEX-ZIAGYGMSSA-N 2 0 326.441 -0.719 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCCOC)C[C@H]1OC ZINC001213676272 837837567 /nfs/dbraw/zinc/83/75/67/837837567.db2.gz YNLSEBOFZTYKAT-HUUCEWRRSA-N 2 0 331.457 -0.193 20 0 EBADRP CO[C@@H]1C[N@H+](CCOC(C)C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730396 837854602 /nfs/dbraw/zinc/85/46/02/837854602.db2.gz NMYRALZEQVMPOI-HUUCEWRRSA-N 2 0 331.457 -0.195 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213922150 837901617 /nfs/dbraw/zinc/90/16/17/837901617.db2.gz UVEYRLFUTNIQSV-ARFHVFGLSA-N 2 0 343.468 -0.315 20 0 EBADRP C[C@@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001319476220 838136579 /nfs/dbraw/zinc/13/65/79/838136579.db2.gz FAZYLCSHRQPEPF-KBPBESRZSA-N 2 0 325.457 -0.068 20 0 EBADRP C[C@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001319560341 838149702 /nfs/dbraw/zinc/14/97/02/838149702.db2.gz LRWRGDZFXKJLRO-CYBMUJFWSA-N 2 0 346.497 -0.590 20 0 EBADRP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCN1CCCS1(=O)=O)[NH+](C)C ZINC001319561165 838150308 /nfs/dbraw/zinc/15/03/08/838150308.db2.gz UAKIOKNYPJFUMN-ZIAGYGMSSA-N 2 0 348.513 -0.201 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NC[C@H](O)C[NH2+]CCN2CCCC2=O)CC[N@@H+]1C ZINC001320262939 838735269 /nfs/dbraw/zinc/73/52/69/838735269.db2.gz KKHZRQGCEXIWOA-SOUVJXGZSA-N 2 0 340.468 -0.594 20 0 EBADRP C[C@@H](CC[NH2+]CCNS(C)(=O)=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001320421133 838767912 /nfs/dbraw/zinc/76/79/12/838767912.db2.gz JSBPANBYTZMTSO-YNEHKIRRSA-N 2 0 334.486 -0.640 20 0 EBADRP C[C@@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320523620 838784536 /nfs/dbraw/zinc/78/45/36/838784536.db2.gz PVHQMWIZHWLAFQ-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CCN(CC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001320818796 838843209 /nfs/dbraw/zinc/84/32/09/838843209.db2.gz HHWCLEZMCCUGBE-IHRRRGAJSA-N 2 0 338.452 -0.040 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCN(CC)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001320840491 838846602 /nfs/dbraw/zinc/84/66/02/838846602.db2.gz KZRWBYSNPAVBQV-ZDUSSCGKSA-N 2 0 341.456 -0.388 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001320996773 838878581 /nfs/dbraw/zinc/87/85/81/838878581.db2.gz FOPAHRDHEIOXNZ-IBPBTGAJSA-N 2 0 339.440 -0.423 20 0 EBADRP CN(CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C)S(C)(=O)=O 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RUBNVEQKYZHBIV-MRXNPFEDSA-N 2 0 344.375 -0.611 20 0 EBADRP [NH3+]CCOCC(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC001326017766 840003609 /nfs/dbraw/zinc/00/36/09/840003609.db2.gz IRNVXKKSQKRKCU-UHFFFAOYSA-N 2 0 340.468 -0.198 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]CC(=O)N1CCC1 ZINC001326022942 840006536 /nfs/dbraw/zinc/00/65/36/840006536.db2.gz OFJLLVUCOPTPCP-HNNXBMFYSA-N 2 0 340.468 -0.498 20 0 EBADRP COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001326276427 840078656 /nfs/dbraw/zinc/07/86/56/840078656.db2.gz AMHJXIJCSKPDHN-KGLIPLIRSA-N 2 0 326.441 -0.719 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC001326547920 840131604 /nfs/dbraw/zinc/13/16/04/840131604.db2.gz JRYXCDHOPDLRBU-MELADBBJSA-N 2 0 348.451 -0.113 20 0 EBADRP CO[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H]1C ZINC001326993384 840264630 /nfs/dbraw/zinc/26/46/30/840264630.db2.gz DZPBCAMQOCDWEW-HUUCEWRRSA-N 2 0 342.484 -0.178 20 0 EBADRP O=C(C1CC[NH+](CC2CC2)CC1)N1CCO[C@H](C[NH2+]CCO)C1 ZINC001327050449 840285923 /nfs/dbraw/zinc/28/59/23/840285923.db2.gz XGRGYKSIPYBJBN-MRXNPFEDSA-N 2 0 325.453 -0.082 20 0 EBADRP CN(CCC[N@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)CCc1nccn1C ZINC001327240147 840336036 /nfs/dbraw/zinc/33/60/36/840336036.db2.gz XTTSEQLDRSGIHT-ZDUSSCGKSA-N 2 0 349.435 -0.062 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC001327471846 840430172 /nfs/dbraw/zinc/43/01/72/840430172.db2.gz NGUAROURRFVRRE-UHFFFAOYSA-N 2 0 333.436 -0.031 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@](CO)([NH2+]CCCO)C1 ZINC001327606691 840471934 /nfs/dbraw/zinc/47/19/34/840471934.db2.gz GASCWMZDWMFTHX-RDJZCZTQSA-N 2 0 343.468 -0.720 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001327833652 840528455 /nfs/dbraw/zinc/52/84/55/840528455.db2.gz CDAGOHBLZDRXTK-CQSZACIVSA-N 2 0 347.463 -0.221 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCN2C(=O)CCC2=O)[C@@H](C)C1 ZINC001327922182 840549536 /nfs/dbraw/zinc/54/95/36/840549536.db2.gz CLCDUHDBZSQDFW-KBPBESRZSA-N 2 0 338.452 -0.086 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001327943972 840554705 /nfs/dbraw/zinc/55/47/05/840554705.db2.gz OVEKUDAHFBNHDL-HOCLYGCPSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC001328489506 840688031 /nfs/dbraw/zinc/68/80/31/840688031.db2.gz AGRSBTLVXPXRII-ZDUSSCGKSA-N 2 0 340.468 -0.071 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC001328982924 840806068 /nfs/dbraw/zinc/80/60/68/840806068.db2.gz WDHAFWCPLTZLNH-ZDUSSCGKSA-N 2 0 333.436 -0.032 20 0 EBADRP CN(C(=O)[C@@H]1CN(C)CCO1)C1CCC([NH2+]CCOCCO)CC1 ZINC001329229641 840879179 /nfs/dbraw/zinc/87/91/79/840879179.db2.gz LXZWHBUZJCROJT-GPANFISMSA-N 2 0 343.468 -0.315 20 0 EBADRP C[N@H+](CCCCNC(=O)C(=O)NCC1([NH3+])CCOCC1)C1CC1 ZINC001329436871 840919731 /nfs/dbraw/zinc/91/97/31/840919731.db2.gz HBAOAMUUVRVMDS-UHFFFAOYSA-N 2 0 326.441 -0.399 20 0 EBADRP CN1CCO[C@@H](C(=O)N2CCC(OCCC[NH2+]CCCO)CC2)C1 ZINC001329773300 841014915 /nfs/dbraw/zinc/01/49/15/841014915.db2.gz JFYHCOQZIGTCNM-MRXNPFEDSA-N 2 0 343.468 -0.313 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(OCCC[NH2+]CC(N)=O)CC1 ZINC001329786013 841019679 /nfs/dbraw/zinc/01/96/79/841019679.db2.gz HWJUWNCDPUUSEE-CQSZACIVSA-N 2 0 326.441 -0.447 20 0 EBADRP O=C(N[C@@H]1C[C@@H](C[NH2+]CCN2CCNC2=O)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001330694695 841259528 /nfs/dbraw/zinc/25/95/28/841259528.db2.gz MSHQHFGCSRXRBL-MPGHIAIKSA-N 2 0 349.479 -0.018 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC001330859091 841284522 /nfs/dbraw/zinc/28/45/22/841284522.db2.gz AXKCBORNZATNCO-AWEZNQCLSA-N 2 0 340.468 -0.057 20 0 EBADRP C[C@H](CCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001330955840 841302196 /nfs/dbraw/zinc/30/21/96/841302196.db2.gz URZBNPIOBMTJSQ-CHWSQXEVSA-N 2 0 338.456 -0.175 20 0 EBADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC001331138979 841351256 /nfs/dbraw/zinc/35/12/56/841351256.db2.gz FBALXWQTKBCJPD-UMVBOHGHSA-N 2 0 338.452 -0.401 20 0 EBADRP CN1CC[C@H]([NH2+]CCCOCCNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001331240291 841377100 /nfs/dbraw/zinc/37/71/00/841377100.db2.gz JWQRZTUTTCFERP-AWEZNQCLSA-N 2 0 338.452 -0.575 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001332045033 841557815 /nfs/dbraw/zinc/55/78/15/841557815.db2.gz CAKULTQSDFMMLO-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C[C@@H]1C ZINC001332051794 841560438 /nfs/dbraw/zinc/56/04/38/841560438.db2.gz UEFSOCJMCASLGO-STQMWFEESA-N 2 0 339.440 -0.541 20 0 EBADRP C[NH+]1CCC(n2cc(NC(=O)C(=O)NC[C@H]3CCC[NH2+]3)cn2)CC1 ZINC001332119667 841577852 /nfs/dbraw/zinc/57/78/52/841577852.db2.gz JJXOYHAOEUGFSX-GFCCVEGCSA-N 2 0 334.424 -0.044 20 0 EBADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001332332379 841617406 /nfs/dbraw/zinc/61/74/06/841617406.db2.gz OKNULYUFJJNJIS-MCIONIFRSA-N 2 0 331.420 -0.028 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCNS(C)(=O)=O)C(C)(C)C1 ZINC001332405478 841635408 /nfs/dbraw/zinc/63/54/08/841635408.db2.gz RNLIWRIMEBBMKT-CHWSQXEVSA-N 2 0 346.497 -0.544 20 0 EBADRP CN(C[C@H](O)C[NH2+]CCNC(=O)C1CC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001332531218 841663533 /nfs/dbraw/zinc/66/35/33/841663533.db2.gz ZVFHOIIHHHKNRM-HUUCEWRRSA-N 2 0 340.468 -0.594 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]CCN2CCCC2=O)C1 ZINC001332566215 841672873 /nfs/dbraw/zinc/67/28/73/841672873.db2.gz MPLRRGRQQJWISD-CABCVRRESA-N 2 0 340.468 -0.641 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC001332866112 841754684 /nfs/dbraw/zinc/75/46/84/841754684.db2.gz OIGZXDVFJLIGKJ-OLZOCXBDSA-N 2 0 339.440 -0.589 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001333152004 841807327 /nfs/dbraw/zinc/80/73/27/841807327.db2.gz CPRAKIIBIWCUNH-IYXRBSQSSA-N 2 0 346.497 -0.544 20 0 EBADRP Cc1c(C(=O)N(C)CCOCC[NH2+]CC(N)=O)ccc2c[nH+]cn21 ZINC001333234449 841829484 /nfs/dbraw/zinc/82/94/84/841829484.db2.gz ZWHZHTOYHYTTEE-UHFFFAOYSA-N 2 0 333.392 -0.194 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC001333339063 841853239 /nfs/dbraw/zinc/85/32/39/841853239.db2.gz VQBJLPBXQJRIES-INIZCTEOSA-N 2 0 326.441 -0.528 20 0 EBADRP C[NH+](C)CC[C@H](N)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001333731556 841935178 /nfs/dbraw/zinc/93/51/78/841935178.db2.gz CYSMEIHDVIMKHJ-CVEARBPZSA-N 2 0 341.500 -0.822 20 0 EBADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001333912675 841964985 /nfs/dbraw/zinc/96/49/85/841964985.db2.gz LZHITDCADFWXEW-XQLPTFJDSA-N 2 0 336.436 -0.947 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC001335231733 842234675 /nfs/dbraw/zinc/23/46/75/842234675.db2.gz AXJGVKFBMJLZGP-ZIAGYGMSSA-N 2 0 328.457 -0.473 20 0 EBADRP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC001335292553 842252349 /nfs/dbraw/zinc/25/23/49/842252349.db2.gz UAXBWJUHNNYFMK-KKUMJFAQSA-N 2 0 338.452 -0.589 20 0 EBADRP C[NH2+]C1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC001336293457 842430714 /nfs/dbraw/zinc/43/07/14/842430714.db2.gz CXDMUOOSMUVMRG-CABCVRRESA-N 2 0 338.452 -0.746 20 0 EBADRP C[NH+](C)C1(C(=O)NCCOCCNC(=O)C2([NH+](C)C)CC2)CC1 ZINC001336904208 842557591 /nfs/dbraw/zinc/55/75/91/842557591.db2.gz SEODMRZZYZIASC-UHFFFAOYSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC001338279108 842775565 /nfs/dbraw/zinc/77/55/65/842775565.db2.gz HISWWQCUMWXYGK-CQSZACIVSA-N 2 0 339.484 -0.674 20 0 EBADRP C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCN2CCC([NH3+])CC2)CC[N@@H+]1C ZINC001338327549 842782841 /nfs/dbraw/zinc/78/28/41/842782841.db2.gz KNELLYNDBIWEPM-DZGCQCFKSA-N 2 0 339.484 -0.533 20 0 EBADRP O=C(NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)N1CCNCC[NH2+]CC1 ZINC001338587902 842838315 /nfs/dbraw/zinc/83/83/15/842838315.db2.gz DWQHWXWLOIWMKZ-HOTGVXAUSA-N 2 0 339.484 -0.431 20 0 EBADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCNCC[NH2+]CC1 ZINC001338587900 842838620 /nfs/dbraw/zinc/83/86/20/842838620.db2.gz DWQHWXWLOIWMKZ-CVEARBPZSA-N 2 0 339.484 -0.431 20 0 EBADRP Cc1nn(CCS(C)(=O)=O)c(C)c1CN1CC[NH2+]CC[NH2+]CC1 ZINC001339933491 842952986 /nfs/dbraw/zinc/95/29/86/842952986.db2.gz OVYZJBCYMUJERH-UHFFFAOYSA-N 2 0 343.497 -0.461 20 0 EBADRP C[C@@H]1CN(CCNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)[C@H](C)CO1 ZINC001342106136 843140228 /nfs/dbraw/zinc/14/02/28/843140228.db2.gz HCQWYOBWZNOBTO-MCIONIFRSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C[C@H](C)O1 ZINC001343371432 843229207 /nfs/dbraw/zinc/22/92/07/843229207.db2.gz KTSAFPGLABJAJP-ZNMIVQPWSA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001344775899 843333460 /nfs/dbraw/zinc/33/34/60/843333460.db2.gz ZSWYMCUSCSQTSP-SOUVJXGZSA-N 2 0 338.452 -0.624 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001345913661 843462164 /nfs/dbraw/zinc/46/21/64/843462164.db2.gz TZNVFHRZPIEULX-KFWWJZLASA-N 2 0 340.468 -0.188 20 0 EBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC001345928009 843463129 /nfs/dbraw/zinc/46/31/29/843463129.db2.gz UKZZDWIWNHKWTP-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)C[NH+]1CCN(C)CC1 ZINC001345958308 843465725 /nfs/dbraw/zinc/46/57/25/843465725.db2.gz JITOPEBMQMMZIR-ZNMIVQPWSA-N 2 0 339.484 -0.770 20 0 EBADRP CN(C)CC[NH+]1CCC(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001346189807 843485231 /nfs/dbraw/zinc/48/52/31/843485231.db2.gz BHYUIFBGZPSWRW-SFHVURJKSA-N 3 0 341.544 -0.542 20 0 EBADRP C[C@@H]1CN(CCN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C[C@H](C)[NH+]1CCO ZINC001347284549 843608275 /nfs/dbraw/zinc/60/82/75/843608275.db2.gz SSKGZWRKSFNSFM-USTZCAOPSA-N 2 0 342.528 -0.240 20 0 EBADRP CC(C)[C@H](C(=O)NCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)[NH+](C)C ZINC001349430999 843903247 /nfs/dbraw/zinc/90/32/47/843903247.db2.gz MKDHIJKHOJNHMJ-LSDHHAIUSA-N 2 0 342.484 -0.086 20 0 EBADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](C3CC3)C1)C2 ZINC001350012766 843957293 /nfs/dbraw/zinc/95/72/93/843957293.db2.gz ACJFDRIWAZHUJK-JTQLQIEISA-N 2 0 349.460 -0.161 20 0 EBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001350019707 843958155 /nfs/dbraw/zinc/95/81/55/843958155.db2.gz NAYQDRCBLHNNHF-DZGCQCFKSA-N 2 0 338.452 -0.447 20 0 EBADRP CCN(C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1)[C@H]1CC[NH2+]C1 ZINC001350029348 843959391 /nfs/dbraw/zinc/95/93/91/843959391.db2.gz RMLFRTDNDGIMOI-HNNXBMFYSA-N 2 0 339.484 -0.659 20 0 EBADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001575144245 952164728 /nfs/dbraw/zinc/16/47/28/952164728.db2.gz HGTHEXPJPXDLPL-NWDGAFQWSA-N 2 0 344.423 -0.106 20 0 EBADRP C[N@H+](CC(=O)NC[C@H]1CC[NH+]([C@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC001691146319 1125837536 /nfs/dbraw/zinc/83/75/36/1125837536.db2.gz SBFOMNBPYPVVFS-OCCSQVGLSA-N 2 0 336.436 -0.286 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001691316726 1125850182 /nfs/dbraw/zinc/85/01/82/1125850182.db2.gz AHXGHQUBRPVQMG-GFCCVEGCSA-N 2 0 327.429 -0.637 20 0 EBADRP CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)COC1CC[NH+](C)CC1 ZINC001408574160 1125869228 /nfs/dbraw/zinc/86/92/28/1125869228.db2.gz FOAKEKPYKBNIQZ-CQSZACIVSA-N 2 0 340.468 -0.377 20 0 EBADRP CN(CCNC(=O)C12CC[NH+](CC1)C2)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001408633929 1125896600 /nfs/dbraw/zinc/89/66/00/1125896600.db2.gz BNUQHIQGLBSHQZ-OAHLLOKOSA-N 2 0 334.464 -0.001 20 0 EBADRP CC[C@@H](C(=O)NCCN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC001408634902 1125896649 /nfs/dbraw/zinc/89/66/49/1125896649.db2.gz JSXNGSIPMDLWSQ-GJZGRUSLSA-N 2 0 342.484 -0.131 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)CCNC(=O)CC[NH+](C)C)C1 ZINC001408679015 1125925044 /nfs/dbraw/zinc/92/50/44/1125925044.db2.gz PYWJUXQFKHPMDN-CQSZACIVSA-N 2 0 328.457 -0.378 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[NH+](CCN3CCNC3=O)C2)C1 ZINC001481118784 1125925695 /nfs/dbraw/zinc/92/56/95/1125925695.db2.gz LTXVRHCABKYEFF-LSDHHAIUSA-N 2 0 337.468 -0.209 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001481215210 1125945158 /nfs/dbraw/zinc/94/51/58/1125945158.db2.gz HCIKVWBVUJXJTF-KGLIPLIRSA-N 2 0 326.441 -0.624 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001481277569 1125962750 /nfs/dbraw/zinc/96/27/50/1125962750.db2.gz TYKONCRLOFMDLA-QWHCGFSZSA-N 2 0 343.472 -0.145 20 0 EBADRP CN(CC[NH2+]CCc1nnn(C(C)(C)C)n1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481315394 1125971061 /nfs/dbraw/zinc/97/10/61/1125971061.db2.gz YWADSIHFMZPIIX-CYBMUJFWSA-N 2 0 337.472 -0.030 20 0 EBADRP CN(CC[NH2+]CC(=O)NC(=O)NC(C)(C)C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001481315176 1125971156 /nfs/dbraw/zinc/97/11/56/1125971156.db2.gz RGWVGDCHOQXCOW-LBPRGKRZSA-N 2 0 341.456 -0.390 20 0 EBADRP O=C(NCC[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001481455605 1125993374 /nfs/dbraw/zinc/99/33/74/1125993374.db2.gz BIHPRWCKHRWLOU-UONOGXRCSA-N 2 0 348.447 -0.284 20 0 EBADRP C[N@H+](CCNS(C)(=O)=O)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001481507039 1126005459 /nfs/dbraw/zinc/00/54/59/1126005459.db2.gz PVEHLLQFEKKPEJ-ZIAGYGMSSA-N 2 0 346.497 -0.732 20 0 EBADRP CC[C@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)[NH2+][C@H](C)C(N)=O ZINC001481824522 1126059095 /nfs/dbraw/zinc/05/90/95/1126059095.db2.gz UWZRPAVJWNYDRI-CHWSQXEVSA-N 2 0 328.457 -0.297 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CCNS(C)(=O)=O)CCCC1 ZINC001481891931 1126065181 /nfs/dbraw/zinc/06/51/81/1126065181.db2.gz KJMPIIGYEXGXRD-CYBMUJFWSA-N 2 0 346.497 -0.352 20 0 EBADRP C[C@H]([NH2+]CC1(NC(=O)CCC[NH+](C)C)CCCC1)C(=O)NC(N)=O ZINC001481903665 1126065633 /nfs/dbraw/zinc/06/56/33/1126065633.db2.gz BVDVVWRTGXOMDJ-LBPRGKRZSA-N 2 0 341.456 -0.070 20 0 EBADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001482100514 1126077453 /nfs/dbraw/zinc/07/74/53/1126077453.db2.gz FEYZYVHNKQDRMQ-QWHCGFSZSA-N 2 0 338.456 -0.177 20 0 EBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]C[C@H](O)Cn1cccn1 ZINC001482161437 1126089146 /nfs/dbraw/zinc/08/91/46/1126089146.db2.gz SAUKWXZKBLJGJT-GJZGRUSLSA-N 2 0 335.452 -0.318 20 0 EBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]CC(=O)N1CCOCC1 ZINC001482137873 1126086345 /nfs/dbraw/zinc/08/63/45/1126086345.db2.gz GVZCGJYZCODLMR-AWEZNQCLSA-N 2 0 340.468 -0.471 20 0 EBADRP C[C@H](C[NH2+]CCCS(=O)(=O)N(C)C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482268717 1126115660 /nfs/dbraw/zinc/11/56/60/1126115660.db2.gz ZXZPYNNZOCHZFP-ZIAGYGMSSA-N 2 0 348.513 -0.201 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482365577 1126139226 /nfs/dbraw/zinc/13/92/26/1126139226.db2.gz WSYPMJAVAYIKBK-OLZOCXBDSA-N 2 0 334.486 -0.686 20 0 EBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001482431703 1126148826 /nfs/dbraw/zinc/14/88/26/1126148826.db2.gz DQOPNTGZUOZIKQ-STQMWFEESA-N 2 0 339.440 -0.684 20 0 EBADRP CC[C@@H](C(=O)NC1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1)[NH+](C)C ZINC001409082785 1126187502 /nfs/dbraw/zinc/18/75/02/1126187502.db2.gz IUCOILKMBOCNRM-HIFRSBDPSA-N 2 0 340.468 -0.378 20 0 EBADRP CC(C)[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC(=O)NC(N)=O ZINC001482532278 1126191600 /nfs/dbraw/zinc/19/16/00/1126191600.db2.gz QUJQWTXVFYRIFB-OLZOCXBDSA-N 2 0 339.440 -0.747 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](CNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001482532786 1126191835 /nfs/dbraw/zinc/19/18/35/1126191835.db2.gz IJHVNIDQIPPXHE-GFCCVEGCSA-N 2 0 341.456 -0.343 20 0 EBADRP O=C(C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001648979879 1126222530 /nfs/dbraw/zinc/22/25/30/1126222530.db2.gz NYJUCPKBYHRJSC-RGDJUOJXSA-N 2 0 327.450 -0.638 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@H](O)C[NH2+]CCN2CCCC2=O)CC[N@@H+]1C ZINC001482730709 1126261117 /nfs/dbraw/zinc/26/11/17/1126261117.db2.gz FOHKEIOVVCAEMJ-MGPQQGTHSA-N 2 0 326.441 -0.984 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@@H](O)C[NH2+]CCN2CCCC2=O)CC[N@@H+]1C ZINC001482730708 1126261354 /nfs/dbraw/zinc/26/13/54/1126261354.db2.gz FOHKEIOVVCAEMJ-HZSPNIEDSA-N 2 0 326.441 -0.984 20 0 EBADRP Cn1cc(CC[NH2+]C[C@H](O)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cn1 ZINC001482730203 1126269387 /nfs/dbraw/zinc/26/93/87/1126269387.db2.gz UTERIBKFCYGZRD-JKSUJKDBSA-N 2 0 335.452 -0.629 20 0 EBADRP Cc1c(C(=O)NC[C@@H](O)C[NH2+][C@H]2CCN(C)C2=O)ccc2c[nH+]cn21 ZINC001482745739 1126276024 /nfs/dbraw/zinc/27/60/24/1126276024.db2.gz WBGPDCSNPUUXKT-ZFWWWQNUSA-N 2 0 345.403 -0.446 20 0 EBADRP CCn1nncc1C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001482781806 1126288743 /nfs/dbraw/zinc/28/87/43/1126288743.db2.gz LDHBHHJEZRCOPN-HNNXBMFYSA-N 2 0 338.456 -0.403 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001482840094 1126297257 /nfs/dbraw/zinc/29/72/57/1126297257.db2.gz QQKWHAZSTVNWOJ-LLVKDONJSA-N 2 0 327.429 -0.589 20 0 EBADRP CCN(CC[NH2+]CCCS(C)(=O)=O)C(=O)C12CC[NH+](CC1)C2 ZINC001482963067 1126307293 /nfs/dbraw/zinc/30/72/93/1126307293.db2.gz DIULGHVKWOHCTA-UHFFFAOYSA-N 2 0 331.482 -0.045 20 0 EBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001648990202 1126317737 /nfs/dbraw/zinc/31/77/37/1126317737.db2.gz IZZMVBVEBPTJFH-QGZVFWFLSA-N 2 0 337.468 -0.019 20 0 EBADRP C[C@@H]([NH2+]C/C=C\CNC(=O)C(C)(C)C[NH+]1CCOCC1)C(N)=O ZINC001483024707 1126314439 /nfs/dbraw/zinc/31/44/39/1126314439.db2.gz XJVVFUOJLDBQIR-DSYXLKISSA-N 2 0 326.441 -0.519 20 0 EBADRP C[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)NC(N)=O ZINC001483046037 1126321150 /nfs/dbraw/zinc/32/11/50/1126321150.db2.gz AVDDRYPOKHUITC-XMXMHJJKSA-N 2 0 325.413 -0.684 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001691603272 1126324867 /nfs/dbraw/zinc/32/48/67/1126324867.db2.gz XVGMTEBZTAJHIO-KBPBESRZSA-N 2 0 326.441 -0.767 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC[NH2+]CCN1C(=O)CNC1=O ZINC001691619174 1126326188 /nfs/dbraw/zinc/32/61/88/1126326188.db2.gz FFTLBVORBWHTPR-CHWSQXEVSA-N 2 0 339.440 -0.541 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC/C=C\C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001483082518 1126330517 /nfs/dbraw/zinc/33/05/17/1126330517.db2.gz REPMWXWGDUUBRE-XQJDBVBESA-N 2 0 337.424 -0.858 20 0 EBADRP C[C@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001483145566 1126346581 /nfs/dbraw/zinc/34/65/81/1126346581.db2.gz QUFGXSFBCDIVFY-MNOVXSKESA-N 2 0 325.413 -0.708 20 0 EBADRP C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)[NH2+]Cc1cnnn1C ZINC001409422283 1126365896 /nfs/dbraw/zinc/36/58/96/1126365896.db2.gz YLDJLCPTSKSPNO-QWHCGFSZSA-N 2 0 338.456 -0.091 20 0 EBADRP C[C@@H]([NH2+]Cc1cnnn1C)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001409422279 1126365921 /nfs/dbraw/zinc/36/59/21/1126365921.db2.gz YLDJLCPTSKSPNO-OLZOCXBDSA-N 2 0 338.456 -0.091 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001483234384 1126368387 /nfs/dbraw/zinc/36/83/87/1126368387.db2.gz QTCVIARBVOCUDQ-NSHDSACASA-N 2 0 339.440 -0.447 20 0 EBADRP CN(C(=O)CC[NH+](C)C)C1CCC([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001409461980 1126369029 /nfs/dbraw/zinc/36/90/29/1126369029.db2.gz XTYZNDCURCBHDG-UHFFFAOYSA-N 2 0 338.456 -0.081 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001483234530 1126369082 /nfs/dbraw/zinc/36/90/82/1126369082.db2.gz SMWBRVAHFGWJDM-RYUDHWBXSA-N 2 0 341.456 -0.201 20 0 EBADRP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[N@H+](C)CCN1CCNC1=O ZINC001409587797 1126380137 /nfs/dbraw/zinc/38/01/37/1126380137.db2.gz YFHMYBBWTDUCGR-HIFRSBDPSA-N 2 0 337.468 -0.210 20 0 EBADRP C[C@@H](CNC(=O)CCN1CCOCC1)N(C)CC(=O)NC1CC1 ZINC001409614560 1126383986 /nfs/dbraw/zinc/38/39/86/1126383986.db2.gz AIKVAAVDQJELMZ-ZDUSSCGKSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001409645185 1126387388 /nfs/dbraw/zinc/38/73/88/1126387388.db2.gz OLQQRVYTJOUWFC-WDEREUQCSA-N 2 0 325.413 -0.898 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483284148 1126413605 /nfs/dbraw/zinc/41/36/05/1126413605.db2.gz BXNDCURFKWMWOG-NWDGAFQWSA-N 2 0 339.440 -0.589 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001483294033 1126414539 /nfs/dbraw/zinc/41/45/39/1126414539.db2.gz QKAKCABILUESOS-KBPBESRZSA-N 2 0 328.457 -0.473 20 0 EBADRP C[C@H](C[N@H+](C)CCCS(=O)(=O)N(C)C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001483417535 1126426267 /nfs/dbraw/zinc/42/62/67/1126426267.db2.gz MHNYTFMHVUJDDV-KGLIPLIRSA-N 2 0 348.513 -0.344 20 0 EBADRP CN(CCC[NH2+]C[C@H](O)CN1CCCC1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001483509117 1126432145 /nfs/dbraw/zinc/43/21/45/1126432145.db2.gz FPSAGBMWOARQNK-GJZGRUSLSA-N 2 0 340.468 -0.641 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001483512262 1126432357 /nfs/dbraw/zinc/43/23/57/1126432357.db2.gz UBKNAZXXAONRSF-BETUJISGSA-N 2 0 341.456 -0.247 20 0 EBADRP C[NH+](C)C1(C(=O)N[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C2CC2)CCC1 ZINC001483566795 1126435495 /nfs/dbraw/zinc/43/54/95/1126435495.db2.gz UGIJNIBVJDNSJQ-QWHCGFSZSA-N 2 0 336.436 -0.240 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001483570744 1126436063 /nfs/dbraw/zinc/43/60/63/1126436063.db2.gz MOSSNPGUBDHQQP-CYBMUJFWSA-N 2 0 326.441 -0.686 20 0 EBADRP CCN1CCO[C@@H](C(=O)N[C@H](C[NH2+]CCS(C)(=O)=O)C2CC2)C1 ZINC001483607361 1126439712 /nfs/dbraw/zinc/43/97/12/1126439712.db2.gz NPPZMFKNKVYZFX-ZIAGYGMSSA-N 2 0 347.481 -0.764 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1(NCc2cnn(C)n2)CC1 ZINC001483790359 1126477508 /nfs/dbraw/zinc/47/75/08/1126477508.db2.gz GFDHRRFSVUIDAT-CYBMUJFWSA-N 2 0 336.440 -0.478 20 0 EBADRP C[C@@]1(C[NH2+]CC(=O)NC(N)=O)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001484121617 1126507639 /nfs/dbraw/zinc/50/76/39/1126507639.db2.gz GAZGBFJJHODZHC-HNNXBMFYSA-N 2 0 337.424 -0.895 20 0 EBADRP CCn1cc(CC[N@@H+]2CC[C@](O)(CNC(=O)[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001484252286 1126544906 /nfs/dbraw/zinc/54/49/06/1126544906.db2.gz UIPJZZBVEHBNQM-WMZOPIPTSA-N 2 0 349.479 -0.050 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001484379375 1126566749 /nfs/dbraw/zinc/56/67/49/1126566749.db2.gz CNEFZNMFYPUPSH-UONOGXRCSA-N 2 0 340.468 -0.473 20 0 EBADRP CC[C@H]([NH2+]C1CCN(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1)C(N)=O ZINC001484423591 1126573962 /nfs/dbraw/zinc/57/39/62/1126573962.db2.gz PZFJSMTYUHSBPJ-ZFWWWQNUSA-N 2 0 339.484 -0.628 20 0 EBADRP O=C(N(CCO)CC[NH2+][C@@H]1CCCNC1=O)C12CCC[NH+]1CCC2 ZINC001484486124 1126595884 /nfs/dbraw/zinc/59/58/84/1126595884.db2.gz HIATXNOYKSVXOI-CQSZACIVSA-N 2 0 338.452 -0.696 20 0 EBADRP C[C@@H]([NH2+]CCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(C)(C)C ZINC001484499744 1126598973 /nfs/dbraw/zinc/59/89/73/1126598973.db2.gz DGKYKKOXAIJMHQ-KGLIPLIRSA-N 2 0 342.484 -0.348 20 0 EBADRP CNC(=O)NC(=O)C[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001484580558 1126604510 /nfs/dbraw/zinc/60/45/10/1126604510.db2.gz KJIFLQMVXIHOKY-UHFFFAOYSA-N 2 0 339.440 -0.682 20 0 EBADRP C[NH+](C)CCC(=O)N1CC2(C1)CC[NH+](CCN1CCNC1=O)CC2 ZINC001484580237 1126604519 /nfs/dbraw/zinc/60/45/19/1126604519.db2.gz ADDICOHVOOBFHZ-UHFFFAOYSA-N 2 0 337.468 -0.112 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@H](C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001484692935 1126620074 /nfs/dbraw/zinc/62/00/74/1126620074.db2.gz QEYLIXIKKYRPCJ-ZIAGYGMSSA-N 2 0 326.441 -0.767 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CC(=O)NCC)C1 ZINC001484678316 1126618818 /nfs/dbraw/zinc/61/88/18/1126618818.db2.gz KPENFQJJLOMABI-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H](C[NH2+]CCn3cncn3)C2)C1 ZINC001484692904 1126620044 /nfs/dbraw/zinc/62/00/44/1126620044.db2.gz PWWCQZYBANAULA-CABCVRRESA-N 2 0 336.440 -0.563 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001484696178 1126624725 /nfs/dbraw/zinc/62/47/25/1126624725.db2.gz LHMGBWUVYCSSGA-ZDUSSCGKSA-N 2 0 335.470 -0.810 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001484903364 1126651915 /nfs/dbraw/zinc/65/19/15/1126651915.db2.gz ABZSNNKUGXORRE-KGLIPLIRSA-N 2 0 325.457 -0.210 20 0 EBADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001484887138 1126649146 /nfs/dbraw/zinc/64/91/46/1126649146.db2.gz FJSKYQWYJSIMIP-QWRGUYRKSA-N 2 0 325.413 -0.898 20 0 EBADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001484887137 1126649205 /nfs/dbraw/zinc/64/92/05/1126649205.db2.gz FJSKYQWYJSIMIP-MNOVXSKESA-N 2 0 325.413 -0.898 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1 ZINC001484963243 1126656819 /nfs/dbraw/zinc/65/68/19/1126656819.db2.gz NCVBIJULBWKHCU-ZDUSSCGKSA-N 2 0 326.441 -0.840 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCC(O)(C[NH2+][C@H](C)C(N)=O)CC1 ZINC001484963146 1126656904 /nfs/dbraw/zinc/65/69/04/1126656904.db2.gz MSNPIWJHONKCDC-CYBMUJFWSA-N 2 0 328.457 -0.465 20 0 EBADRP CCNC(=O)C[NH2+]CC1(O)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001484959313 1126659223 /nfs/dbraw/zinc/65/92/23/1126659223.db2.gz OLASQKNWUSUSBU-UHFFFAOYSA-N 2 0 340.468 -0.593 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CC1(O)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001484959787 1126659300 /nfs/dbraw/zinc/65/93/00/1126659300.db2.gz URWBBZQIPQFXBW-CYBMUJFWSA-N 2 0 328.457 -0.594 20 0 EBADRP CC[C@@H](C(=O)N1CCC(O)(C[NH2+][C@H](C)C(N)=O)CC1)[NH+](CC)CC ZINC001484960900 1126659691 /nfs/dbraw/zinc/65/96/91/1126659691.db2.gz NXYZQTHKTNFPOL-KGLIPLIRSA-N 2 0 342.484 -0.076 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NC1(CO)CC[NH+](C[C@@H](C)O)CC1 ZINC001485021166 1126663810 /nfs/dbraw/zinc/66/38/10/1126663810.db2.gz JZQOTFXXTJFNRU-KGLIPLIRSA-N 2 0 333.448 -0.010 20 0 EBADRP C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001485205314 1126681476 /nfs/dbraw/zinc/68/14/76/1126681476.db2.gz NOSMKKCOOGOOFM-NEPJUHHUSA-N 2 0 327.429 -0.604 20 0 EBADRP CN(CC(C)(C)C[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)CC[NH+](C)C ZINC001485259594 1126684141 /nfs/dbraw/zinc/68/41/41/1126684141.db2.gz YQSGDXLXCRAZPG-GFCCVEGCSA-N 2 0 326.441 -0.183 20 0 EBADRP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[N@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC001485388415 1126698492 /nfs/dbraw/zinc/69/84/92/1126698492.db2.gz MJNLCJUVCLDMCK-OLZOCXBDSA-N 2 0 341.456 -0.118 20 0 EBADRP CNC(=O)C[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CN(C)CCO1)C(C)C ZINC001485430846 1126716751 /nfs/dbraw/zinc/71/67/51/1126716751.db2.gz DVBFVVWSFQNKCR-KBPBESRZSA-N 2 0 328.457 -0.474 20 0 EBADRP CS(=O)(=O)NCC[NH2+]C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001485702185 1126809947 /nfs/dbraw/zinc/80/99/47/1126809947.db2.gz KMWNXCDTSOHWCS-JOCQHMNTSA-N 2 0 344.481 -0.884 20 0 EBADRP CN(CC[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1)S(C)(=O)=O ZINC001366688752 1126852014 /nfs/dbraw/zinc/85/20/14/1126852014.db2.gz KDASAISJIGEKNR-ZDUSSCGKSA-N 2 0 334.486 -0.732 20 0 EBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001649041070 1126862171 /nfs/dbraw/zinc/86/21/71/1126862171.db2.gz LXSFMXFLDANKEN-UONOGXRCSA-N 2 0 327.425 -0.116 20 0 EBADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H](C[NH2+]CCS(C)(=O)=O)C1CC1 ZINC001485833577 1126888581 /nfs/dbraw/zinc/88/85/81/1126888581.db2.gz JORAAYOJEGKURA-UONOGXRCSA-N 2 0 331.482 -0.191 20 0 EBADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH2+]CCN1CCNC1=O)C1CC1 ZINC001485835502 1126890293 /nfs/dbraw/zinc/89/02/93/1126890293.db2.gz YZXCRUFETIRTBW-CABCVRRESA-N 2 0 337.468 -0.210 20 0 EBADRP C[C@@H](CN(C)C(=O)CCC[NH+]1CCCCC1)[NH2+]CC(=O)NC(N)=O ZINC001485957297 1126938754 /nfs/dbraw/zinc/93/87/54/1126938754.db2.gz BPKMUAHBURWBQH-ZDUSSCGKSA-N 2 0 341.456 -0.116 20 0 EBADRP Cc1nn(C)cc1C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001485998747 1126961521 /nfs/dbraw/zinc/96/15/21/1126961521.db2.gz ZNKRVCAQBIAEDC-HZPDHXFCSA-N 2 0 335.452 -0.363 20 0 EBADRP C[C@H](C(=O)NC[C@@H](CO)[NH2+]CCn1cncn1)[NH+]1CCCCCC1 ZINC001486040995 1126987315 /nfs/dbraw/zinc/98/73/15/1126987315.db2.gz HZYLHPJKDICTKX-CABCVRRESA-N 2 0 338.456 -0.391 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](CO)[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001486066822 1127015651 /nfs/dbraw/zinc/01/56/51/1127015651.db2.gz UGQPEVDNASXQMJ-HIFRSBDPSA-N 2 0 340.468 -0.453 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001486066821 1127015893 /nfs/dbraw/zinc/01/58/93/1127015893.db2.gz UGQPEVDNASXQMJ-DZGCQCFKSA-N 2 0 340.468 -0.453 20 0 EBADRP O=C(C[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2)NC1CCCC1 ZINC001486052660 1127022276 /nfs/dbraw/zinc/02/22/76/1127022276.db2.gz LMXCUBRHYJGDQT-CQSZACIVSA-N 2 0 338.452 -0.792 20 0 EBADRP C[C@@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CCCC[NH+](C)C ZINC001486091192 1127030921 /nfs/dbraw/zinc/03/09/21/1127030921.db2.gz GLXARXSACIOULG-NEPJUHHUSA-N 2 0 327.429 -0.508 20 0 EBADRP CNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001486125328 1127041747 /nfs/dbraw/zinc/04/17/47/1127041747.db2.gz CWZXHUYDKCTCDO-OCCSQVGLSA-N 2 0 336.440 -0.617 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001486125329 1127042051 /nfs/dbraw/zinc/04/20/51/1127042051.db2.gz CWZXHUYDKCTCDO-TZMCWYRMSA-N 2 0 336.440 -0.617 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001486127098 1127048900 /nfs/dbraw/zinc/04/89/00/1127048900.db2.gz HKALKHBPZHDYQC-CHWSQXEVSA-N 2 0 339.440 -0.493 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@H]([NH2+]CCN2CCNC2=O)C(C)(C)C1 ZINC001486240451 1127065074 /nfs/dbraw/zinc/06/50/74/1127065074.db2.gz MMPQTQDXAXQOPJ-ZDUSSCGKSA-N 2 0 325.457 -0.210 20 0 EBADRP CN(C[C@@H](O)C[NH2+]Cc1ccnn1C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001486277916 1127073678 /nfs/dbraw/zinc/07/36/78/1127073678.db2.gz JVOATDBJAQPMOJ-HOTGVXAUSA-N 2 0 335.452 -0.329 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001486317383 1127119483 /nfs/dbraw/zinc/11/94/83/1127119483.db2.gz HEUKBBKSBUIVIU-HIFRSBDPSA-N 2 0 328.457 -0.738 20 0 EBADRP C[C@H](O)CCC[N@H+](C)C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001486356949 1127151565 /nfs/dbraw/zinc/15/15/65/1127151565.db2.gz TUXACVJOIAIAGY-GJZGRUSLSA-N 2 0 327.469 -0.006 20 0 EBADRP CN(C[C@@H]1CCCN1C(=O)CC[NH+](C)C)C(=O)[C@@H]1CN(C)CCO1 ZINC001486569940 1127208355 /nfs/dbraw/zinc/20/83/55/1127208355.db2.gz KJZAHNXMDIRQGQ-GJZGRUSLSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)N(C)C(=O)COCC[NH+](C)C ZINC001486827194 1127265890 /nfs/dbraw/zinc/26/58/90/1127265890.db2.gz XOHUMEGAHATKGP-KBPBESRZSA-N 2 0 328.457 -0.378 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(CCO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001487034188 1127385816 /nfs/dbraw/zinc/38/58/16/1127385816.db2.gz NRIBTWGICHUETH-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP Cc1nc[nH]c1CC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001410121500 1127585093 /nfs/dbraw/zinc/58/50/93/1127585093.db2.gz NYUSWPJYKAHFLT-XPCVCDNBSA-N 2 0 331.420 -0.167 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001410148529 1127611323 /nfs/dbraw/zinc/61/13/23/1127611323.db2.gz NPMSTRPSYPXDON-CQSZACIVSA-N 2 0 338.452 -0.983 20 0 EBADRP CC[C@H](C(=O)NC[C@@H](O)CNC(=O)C[N@@H+]1CCC(C)(C)C1)[NH+](C)C ZINC001410150421 1127628391 /nfs/dbraw/zinc/62/83/91/1127628391.db2.gz OWHIAYXKOHSPJN-UONOGXRCSA-N 2 0 342.484 -0.348 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001410421736 1127710158 /nfs/dbraw/zinc/71/01/58/1127710158.db2.gz HJQHHPJFUDNSTB-NWDGAFQWSA-N 2 0 327.429 -0.637 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)C[C@H](C)[NH2+]Cc1cnnn1C ZINC001410496083 1127729117 /nfs/dbraw/zinc/72/91/17/1127729117.db2.gz FRMZZPZVVCRSNW-KGLIPLIRSA-N 2 0 338.456 -0.280 20 0 EBADRP C[C@H](CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]Cc1cnnn1C ZINC001410496101 1127729149 /nfs/dbraw/zinc/72/91/49/1127729149.db2.gz FRMZZPZVVCRSNW-UONOGXRCSA-N 2 0 338.456 -0.280 20 0 EBADRP CC(C)NC(=O)CN[C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001410628473 1127780082 /nfs/dbraw/zinc/78/00/82/1127780082.db2.gz RBZAUGBJCOATSV-KBPBESRZSA-N 2 0 328.457 -0.550 20 0 EBADRP Cc1cn(C(C)(C)C(=O)NC[C@H](CO)[NH2+][C@H]2CCN(C)C2=O)cn1 ZINC001410678812 1127809418 /nfs/dbraw/zinc/80/94/18/1127809418.db2.gz WXEAZWPSPTXLCO-OLZOCXBDSA-N 2 0 337.424 -0.776 20 0 EBADRP CCN(CC)C(=O)CN[C@@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001410685207 1127812846 /nfs/dbraw/zinc/81/28/46/1127812846.db2.gz HWZQNLNBMMAPHA-CQSZACIVSA-N 2 0 340.468 -0.450 20 0 EBADRP O=C(NC[C@@H](CO)[NH2+]C[C@@H](O)CC(F)(F)F)C12CC[NH+](CC1)C2 ZINC001410760948 1127867914 /nfs/dbraw/zinc/86/79/14/1127867914.db2.gz YZSFNKLTLYAYTA-QWRGUYRKSA-N 2 0 339.358 -0.538 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](CO)[NH2+]Cc1cccnc1 ZINC001410778290 1127881404 /nfs/dbraw/zinc/88/14/04/1127881404.db2.gz CONICDKFGONEEI-GDBMZVCRSA-N 2 0 336.436 -0.383 20 0 EBADRP CCN1CC[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)C2([NH+](C)C)CCC2)C1=O ZINC001411039182 1127983971 /nfs/dbraw/zinc/98/39/71/1127983971.db2.gz GCAVSIBXWQGHMO-KGLIPLIRSA-N 2 0 340.468 -0.500 20 0 EBADRP CN(C[C@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001411101879 1128016629 /nfs/dbraw/zinc/01/66/29/1128016629.db2.gz SFNIZIJVSWWYDB-OLZOCXBDSA-N 2 0 326.441 -0.842 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnnn1C ZINC001411129518 1128029198 /nfs/dbraw/zinc/02/91/98/1128029198.db2.gz RBNQVKWWZGBKEO-GJZGRUSLSA-N 2 0 338.456 -0.402 20 0 EBADRP Cc1nnsc1C[NH2+]C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001411142943 1128036985 /nfs/dbraw/zinc/03/69/85/1128036985.db2.gz LJBXCNDGCSOCAS-GFCCVEGCSA-N 2 0 339.465 -0.149 20 0 EBADRP CN(C[C@@H](O)C[N@H+](C)CCN1CCCC1=O)C(=O)[C@@H]1CCC[NH+]1C ZINC001411160764 1128058452 /nfs/dbraw/zinc/05/84/52/1128058452.db2.gz GQRNAAXWTRJOOJ-GJZGRUSLSA-N 2 0 340.468 -0.546 20 0 EBADRP CN(C[C@@H](O)C[N@H+](C)[C@H]1CCNC1=O)C(=O)C[NH+](C)C1CCC1 ZINC001411169823 1128067353 /nfs/dbraw/zinc/06/73/53/1128067353.db2.gz PBHKCBIKSWCNIE-KBPBESRZSA-N 2 0 326.441 -0.890 20 0 EBADRP CN(C[C@@H](O)C[N@H+](C)C[C@H]1CCc2ncnn21)C(=O)CC[NH+](C)C ZINC001411192553 1128089000 /nfs/dbraw/zinc/08/90/00/1128089000.db2.gz VWBQDOZJHJYRDY-KGLIPLIRSA-N 2 0 338.456 -0.532 20 0 EBADRP CC[C@H](C(=O)N[C@H](C)C1CC[NH+](CC(=O)NC(N)=O)CC1)[NH+](C)C ZINC001411235305 1128100862 /nfs/dbraw/zinc/10/08/62/1128100862.db2.gz MDNNMYHTWVGMNY-DGCLKSJQSA-N 2 0 341.456 -0.262 20 0 EBADRP C[NH2+]CCN(CCNC(=O)C[C@@H]1CCC[NH2+]1)C(=O)C[C@H]1CCC[NH2+]1 ZINC001649143561 1128135498 /nfs/dbraw/zinc/13/54/98/1128135498.db2.gz SEYLZYUTRGNKQU-LSDHHAIUSA-N 3 0 339.484 -0.565 20 0 EBADRP C[C@]12CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]1C[N@H+](CC(N)=O)C2 ZINC001091868840 1128162236 /nfs/dbraw/zinc/16/22/36/1128162236.db2.gz XZDOPJQZNYNTBT-XQFZZKMFSA-N 2 0 348.447 -0.885 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NC4CC4)C[C@@]3(C)C2)C1 ZINC001092272284 1128219854 /nfs/dbraw/zinc/21/98/54/1128219854.db2.gz CLVOVCXETBCVJD-LBTNJELSSA-N 2 0 334.464 -0.003 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC(n3cc(C[NH2+]C[C@@H]4CCOC4)nn3)C2)C1 ZINC001093343795 1128330848 /nfs/dbraw/zinc/33/08/48/1128330848.db2.gz QWAVMDJVRUKNRH-KBPBESRZSA-N 2 0 348.451 -0.261 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC(n2cc(C[NH2+]C[C@@H]3CCOC3)nn2)C1 ZINC001093343686 1128331017 /nfs/dbraw/zinc/33/10/17/1128331017.db2.gz LQHUMQQNZRFBDX-AWEZNQCLSA-N 2 0 348.451 -0.117 20 0 EBADRP CC[C@@H](C(=O)N1CCOC2(CCC([NH2+]CC(N)=O)CC2)C1)[NH+](C)C ZINC001093407570 1128339308 /nfs/dbraw/zinc/33/93/08/1128339308.db2.gz DRQFTLKKODMBEH-UUCFBXCCSA-N 2 0 340.468 -0.058 20 0 EBADRP C[NH+]1CCC[C@@H]1C(=O)NCCOCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001487622482 1128387070 /nfs/dbraw/zinc/38/70/70/1128387070.db2.gz WCXSNDYGAZIHGZ-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001488000616 1128536956 /nfs/dbraw/zinc/53/69/56/1128536956.db2.gz WOPSHGZQGZBKMH-KBPBESRZSA-N 2 0 340.468 -0.737 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001488068208 1128603117 /nfs/dbraw/zinc/60/31/17/1128603117.db2.gz VNCKPPMAADVLSB-KBPBESRZSA-N 2 0 328.457 -0.596 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001488375007 1128712769 /nfs/dbraw/zinc/71/27/69/1128712769.db2.gz SZXZICZCIZOCNO-OAHLLOKOSA-N 2 0 342.484 -0.395 20 0 EBADRP CN(C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)CCC[NH+](C)C ZINC001488429825 1128768395 /nfs/dbraw/zinc/76/83/95/1128768395.db2.gz WMEICDRERMALOE-CABCVRRESA-N 2 0 342.484 -0.300 20 0 EBADRP CN(C)C(=O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001489353185 1128964855 /nfs/dbraw/zinc/96/48/55/1128964855.db2.gz RMKQKOAODAHCTD-HNNXBMFYSA-N 2 0 340.468 -0.546 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001489579639 1129016271 /nfs/dbraw/zinc/01/62/71/1129016271.db2.gz PYFJUEPFUOGCOC-KFWWJZLASA-N 2 0 340.468 -0.501 20 0 EBADRP C[NH+](C)CCCC(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001489582173 1129016989 /nfs/dbraw/zinc/01/69/89/1129016989.db2.gz RFKRRTQPVDSGEX-KGLIPLIRSA-N 2 0 326.441 -0.888 20 0 EBADRP CN(CC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C)S(C)(=O)=O ZINC001490165203 1129119612 /nfs/dbraw/zinc/11/96/12/1129119612.db2.gz QIHIXIBHDXLPNI-CYBMUJFWSA-N 2 0 334.486 -0.590 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001490214982 1129127857 /nfs/dbraw/zinc/12/78/57/1129127857.db2.gz GADHTEGPCIWNOA-NWDGAFQWSA-N 2 0 327.429 -0.508 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCC[NH+](C)CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC001490196290 1129146128 /nfs/dbraw/zinc/14/61/28/1129146128.db2.gz MOSSIFZQPBWDLG-ZIAGYGMSSA-N 2 0 338.452 -0.086 20 0 EBADRP CC[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)CC(=O)NC(N)=O ZINC001490348918 1129162741 /nfs/dbraw/zinc/16/27/41/1129162741.db2.gz KEGBISSYHNUYLI-UHFFFAOYSA-N 2 0 341.456 -0.259 20 0 EBADRP C[C@@H](O)C[NH+]1CCN(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001490506277 1129212788 /nfs/dbraw/zinc/21/27/88/1129212788.db2.gz APADVMZMABZGOZ-MRXNPFEDSA-N 2 0 326.485 -0.167 20 0 EBADRP CCN(C)C(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001493192012 1129611974 /nfs/dbraw/zinc/61/19/74/1129611974.db2.gz YPUSXONBKZWEDR-ZIAGYGMSSA-N 2 0 326.441 -0.767 20 0 EBADRP Cn1cncc1CCC(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001412809671 1129665555 /nfs/dbraw/zinc/66/55/55/1129665555.db2.gz WKXJCEDTLSWXIQ-GXTWGEPZSA-N 2 0 337.424 -0.960 20 0 EBADRP C[N@H+](CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCC[NH+]1C)C1CCC1 ZINC001412811794 1129668213 /nfs/dbraw/zinc/66/82/13/1129668213.db2.gz XTLJIMIYBXGXHM-TZMCWYRMSA-N 2 0 326.441 -0.842 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001480550467 1131389510 /nfs/dbraw/zinc/38/95/10/1131389510.db2.gz ZHYJAKXHPTYHTC-CHWSQXEVSA-N 2 0 341.456 -0.201 20 0 EBADRP Cc1c(C(=O)NC[C@H](CO)NC(=O)CC[NH+](C)C)ccc2c[nH+]cn21 ZINC001412909460 1129776646 /nfs/dbraw/zinc/77/66/46/1129776646.db2.gz RFMLLDQCALLDAP-CYBMUJFWSA-N 2 0 347.419 -0.199 20 0 EBADRP CC[C@@H](C(=O)NC[C@H](CO)NC(=O)C12CCC[NH+]1CCC2)[NH+](C)C ZINC001412918558 1129782609 /nfs/dbraw/zinc/78/26/09/1129782609.db2.gz DLVRIOYDYNSGRN-KGLIPLIRSA-N 2 0 340.468 -0.452 20 0 EBADRP C[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@H]1CS(N)(=O)=O ZINC001413070677 1129915436 /nfs/dbraw/zinc/91/54/36/1129915436.db2.gz MQOBPOHWSJDNQL-NEPJUHHUSA-N 2 0 332.470 -0.947 20 0 EBADRP CC[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1)[NH+](C)C ZINC001413283907 1129988886 /nfs/dbraw/zinc/98/88/86/1129988886.db2.gz BUWJCRXXJZMYKP-HUUCEWRRSA-N 2 0 342.484 -0.396 20 0 EBADRP CC(C)[C@H](C(=O)N(C)C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC001413333278 1130022064 /nfs/dbraw/zinc/02/20/64/1130022064.db2.gz MSIGHFHTVCFWRH-RBSFLKMASA-N 2 0 342.484 -0.398 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCOC2)C1 ZINC001493234839 1130142138 /nfs/dbraw/zinc/14/21/38/1130142138.db2.gz UPPORGRGIPVNBY-LSDHHAIUSA-N 2 0 340.468 -0.471 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](O)CN3CCCC3=O)C2)C1 ZINC001490956467 1130272907 /nfs/dbraw/zinc/27/29/07/1130272907.db2.gz VYGJEMRDGKOBSM-TUVASFSCSA-N 2 0 338.452 -0.842 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001490958222 1130273863 /nfs/dbraw/zinc/27/38/63/1130273863.db2.gz RPMYJVSEQVHJGS-HDJSIYSDSA-N 2 0 346.497 -0.401 20 0 EBADRP CN1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)Nc3ccon3)C2)C1 ZINC001491005316 1130285001 /nfs/dbraw/zinc/28/50/01/1130285001.db2.gz VTKKRDBKYOSUJN-GRYCIOLGSA-N 2 0 337.380 -0.820 20 0 EBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001491030452 1130297439 /nfs/dbraw/zinc/29/74/39/1130297439.db2.gz VRFCMFJBMUSKFE-MELADBBJSA-N 2 0 340.468 -0.284 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001491069707 1130311671 /nfs/dbraw/zinc/31/16/71/1130311671.db2.gz MHLZJUOGZUOMSA-RWMBFGLXSA-N 2 0 332.470 -0.886 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCC[C@@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001491184219 1130352024 /nfs/dbraw/zinc/35/20/24/1130352024.db2.gz JDZMQNJASLMZDU-HNNXBMFYSA-N 2 0 337.468 -0.064 20 0 EBADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC001491296915 1130389181 /nfs/dbraw/zinc/38/91/81/1130389181.db2.gz GPMVEHZUCDDRDW-ZIAGYGMSSA-N 2 0 348.513 -0.296 20 0 EBADRP C[NH+](C)CCC(=O)NC1CCC([NH2+]CCN2CCNC2=O)CC1 ZINC001491362393 1130414538 /nfs/dbraw/zinc/41/45/38/1130414538.db2.gz XUOWIGHEXARBRE-UHFFFAOYSA-N 2 0 325.457 -0.020 20 0 EBADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001491416144 1130435946 /nfs/dbraw/zinc/43/59/46/1130435946.db2.gz XLQUENGPUHDNNB-PWSUYJOCSA-N 2 0 325.413 -0.837 20 0 EBADRP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001492078429 1130584415 /nfs/dbraw/zinc/58/44/15/1130584415.db2.gz SUVQWWHVWFVBMN-GFCCVEGCSA-N 2 0 339.440 -0.980 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001356730816 1130911307 /nfs/dbraw/zinc/91/13/07/1130911307.db2.gz YENPHSLFYCNSJA-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(C)C(=O)CN1CCCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC001364034673 1132175958 /nfs/dbraw/zinc/17/59/58/1132175958.db2.gz YYEPLKVXTURXGU-HUUCEWRRSA-N 2 0 340.468 -0.546 20 0 EBADRP C[NH+]1CCC(CNC(=O)NCC[NH+]2CCC2)(N2CCOCC2)CC1 ZINC001364664677 1132388468 /nfs/dbraw/zinc/38/84/68/1132388468.db2.gz YMSSGGWJDRSPOT-UHFFFAOYSA-N 2 0 339.484 -0.212 20 0 EBADRP CCO[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001365864745 1132842133 /nfs/dbraw/zinc/84/21/33/1132842133.db2.gz VXHARFSQIDRHSH-HZSPNIEDSA-N 2 0 326.441 -0.720 20 0 EBADRP C[NH+](C)CC1(C(=O)N2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC(N)=O)CC1 ZINC001365875191 1132851445 /nfs/dbraw/zinc/85/14/45/1132851445.db2.gz NJMVXKYOMIEMAK-XQLPTFJDSA-N 2 0 334.464 -0.018 20 0 EBADRP COC[C@H](O)C[N@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001365876058 1132853779 /nfs/dbraw/zinc/85/37/79/1132853779.db2.gz OKVAZTGLFOXTMY-JKSUJKDBSA-N 2 0 343.468 -0.625 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCN2CC[NH+](CCn3cccn3)CC2)CC[N@@H+]1C ZINC001365957849 1132917010 /nfs/dbraw/zinc/91/70/10/1132917010.db2.gz ZMQVAFWXEOALFI-IAGOWNOFSA-N 2 0 348.495 -0.043 20 0 EBADRP C[NH+]1CCC(CC(=O)NC[C@H]([NH2+]CC(=O)NC(N)=O)C2CC2)CC1 ZINC001366053513 1132983208 /nfs/dbraw/zinc/98/32/08/1132983208.db2.gz AKXWLOVBQXKCKH-ZDUSSCGKSA-N 2 0 339.440 -0.602 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001366092765 1132999590 /nfs/dbraw/zinc/99/95/90/1132999590.db2.gz WPQCIINTONAIAB-SOUVJXGZSA-N 2 0 338.452 -0.746 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001366098677 1133003485 /nfs/dbraw/zinc/00/34/85/1133003485.db2.gz LABFDMQXRKKLTI-STQMWFEESA-N 2 0 341.456 -0.247 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1)C(=O)N(C)C ZINC001366099673 1133004658 /nfs/dbraw/zinc/00/46/58/1133004658.db2.gz SDSXFNODMVIOIS-KGLIPLIRSA-N 2 0 340.468 -0.236 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001366111030 1133010264 /nfs/dbraw/zinc/01/02/64/1133010264.db2.gz GMSDTBVKHZPDSX-AVGNSLFASA-N 2 0 339.440 -0.447 20 0 EBADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1)[NH+](C)C ZINC001366120108 1133015413 /nfs/dbraw/zinc/01/54/13/1133015413.db2.gz VAFLOABPFPWWHM-ZQDZILKHSA-N 2 0 340.468 -0.189 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1)C(=O)NC(N)=O ZINC001366128226 1133018449 /nfs/dbraw/zinc/01/84/49/1133018449.db2.gz WYLOKDNDXYRESC-SRVKXCTJSA-N 2 0 341.456 -0.216 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001366128362 1133018824 /nfs/dbraw/zinc/01/88/24/1133018824.db2.gz UOZAPHCVYKMYQQ-RBSFLKMASA-N 2 0 338.452 -0.387 20 0 EBADRP CN(CC[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1)S(C)(=O)=O ZINC001366148699 1133027139 /nfs/dbraw/zinc/02/71/39/1133027139.db2.gz IEFAFCDXSQTBTO-BETUJISGSA-N 2 0 346.497 -0.401 20 0 EBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001366166059 1133035330 /nfs/dbraw/zinc/03/53/30/1133035330.db2.gz RADCDIUOKSALNT-RQJABVFESA-N 2 0 326.441 -0.674 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(=O)NCC)C1 ZINC001366170710 1133037430 /nfs/dbraw/zinc/03/74/30/1133037430.db2.gz YPESVLOWEGOBRO-TXEJJXNPSA-N 2 0 327.429 -0.589 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CCC[C@@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001366193648 1133050616 /nfs/dbraw/zinc/05/06/16/1133050616.db2.gz ATNLFKHHJQMEFA-ZDUSSCGKSA-N 2 0 326.441 -0.589 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001366238282 1133071429 /nfs/dbraw/zinc/07/14/29/1133071429.db2.gz OWTIRFCKHIMBGW-LEOABGAYSA-N 2 0 341.452 -0.992 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001366241900 1133072107 /nfs/dbraw/zinc/07/21/07/1133072107.db2.gz GWOCXAHQFTYYSZ-PNESKVBLSA-N 2 0 339.440 -0.589 20 0 EBADRP CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001366291661 1133086607 /nfs/dbraw/zinc/08/66/07/1133086607.db2.gz GVVOHCMMFSSPDL-AWEZNQCLSA-N 2 0 342.484 -0.083 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)N1CCOCC1)[NH+](C)C ZINC001366327264 1133100422 /nfs/dbraw/zinc/10/04/22/1133100422.db2.gz UGLQBVBLGGGILO-DZGCQCFKSA-N 2 0 328.457 -0.474 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001366419839 1133139134 /nfs/dbraw/zinc/13/91/34/1133139134.db2.gz AELKCXAZWWATEO-OLZOCXBDSA-N 2 0 339.440 -0.445 20 0 EBADRP C[C@@H](CCNC(=O)COC1CC[NH+](C)CC1)[NH2+][C@@H]1CCNC1=O ZINC001366500826 1133159588 /nfs/dbraw/zinc/15/95/88/1133159588.db2.gz QIOMDJQFCFYJGF-GXTWGEPZSA-N 2 0 326.441 -0.530 20 0 EBADRP CCN1CC[C@H]([NH2+]CCN(C)C(=O)COC2CC[NH+](C)CC2)C1=O ZINC001366768162 1133289694 /nfs/dbraw/zinc/28/96/94/1133289694.db2.gz ISBFHKHEAPNPLU-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001366830755 1133309509 /nfs/dbraw/zinc/30/95/09/1133309509.db2.gz AFLMJLGIVMRYJT-STQMWFEESA-N 2 0 341.456 -0.260 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC[C@H]2CC[NH+](CCS(C)(=O)=O)C2)C1 ZINC001366848730 1133318123 /nfs/dbraw/zinc/31/81/23/1133318123.db2.gz BISQUQQDNJUDTD-KBPBESRZSA-N 2 0 331.482 -0.189 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001366895403 1133348634 /nfs/dbraw/zinc/34/86/34/1133348634.db2.gz ZWBIYDGAKVEIKP-BZUAXINKSA-N 2 0 343.468 -0.457 20 0 EBADRP CCCNC(=O)[C@@H](C)N1CC[C@H](NC(=O)CCN2CCOCC2)C1 ZINC001367016256 1133427221 /nfs/dbraw/zinc/42/72/21/1133427221.db2.gz GGQLTDRLFAZYJF-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCc2ccc(C[NH2+]CC(N)=O)cc2)CC1 ZINC001367206730 1133501342 /nfs/dbraw/zinc/50/13/42/1133501342.db2.gz AOTMRJNVFDOSMZ-UHFFFAOYSA-N 2 0 348.447 -0.012 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001367249424 1133515641 /nfs/dbraw/zinc/51/56/41/1133515641.db2.gz RSCYUUYARFNBSH-STQMWFEESA-N 2 0 341.456 -0.343 20 0 EBADRP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1)C(=O)NC(N)=O ZINC001367329082 1133551573 /nfs/dbraw/zinc/55/15/73/1133551573.db2.gz WXXSBHKGOIUULV-VXGBXAGGSA-N 2 0 339.440 -0.460 20 0 EBADRP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCC1)C(=O)NC(N)=O ZINC001367329054 1133551585 /nfs/dbraw/zinc/55/15/85/1133551585.db2.gz WXXSBHKGOIUULV-NEPJUHHUSA-N 2 0 339.440 -0.460 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCC1 ZINC001367328325 1133551892 /nfs/dbraw/zinc/55/18/92/1133551892.db2.gz WFAOKDRDZOPLOL-UHFFFAOYSA-N 2 0 341.456 -0.198 20 0 EBADRP C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)N(C)C(=O)CC[NH+](C)C ZINC001367375407 1133569449 /nfs/dbraw/zinc/56/94/49/1133569449.db2.gz JGBZPMLMRRPBAE-RYUDHWBXSA-N 2 0 341.456 -0.249 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001367381827 1133571845 /nfs/dbraw/zinc/57/18/45/1133571845.db2.gz MLPIWOPXOOFASC-VXGBXAGGSA-N 2 0 327.429 -0.780 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001367443473 1133591001 /nfs/dbraw/zinc/59/10/01/1133591001.db2.gz MBKJSSBAZQRUNN-VXGBXAGGSA-N 2 0 325.413 -0.896 20 0 EBADRP CC(C)[C@@H](CNC(=O)COC1CC[NH+](C)CC1)[NH2+]CC(=O)N(C)C ZINC001367476664 1133598319 /nfs/dbraw/zinc/59/83/19/1133598319.db2.gz AIIOREGYWYEEMG-OAHLLOKOSA-N 2 0 342.484 -0.084 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)N(C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001367547836 1133623833 /nfs/dbraw/zinc/62/38/33/1133623833.db2.gz OZGDOFYAJQXOEV-QWHCGFSZSA-N 2 0 343.472 -0.193 20 0 EBADRP CCN(C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001367576520 1133643469 /nfs/dbraw/zinc/64/34/69/1133643469.db2.gz HLBSJIHHJIHWPQ-KGLIPLIRSA-N 2 0 326.441 -0.842 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCCCC1 ZINC001367608242 1133688065 /nfs/dbraw/zinc/68/80/65/1133688065.db2.gz RDSAGAUOFALZEW-ZIAGYGMSSA-N 2 0 326.441 -0.840 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001367617317 1133699898 /nfs/dbraw/zinc/69/98/98/1133699898.db2.gz VUTJHBIJYBDEPI-AWEZNQCLSA-N 2 0 328.457 -0.690 20 0 EBADRP C[C@@H]([NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1)C(=O)NC(C)(C)C ZINC001367623392 1133709156 /nfs/dbraw/zinc/70/91/56/1133709156.db2.gz KRWAZVXNIOKNHV-OLZOCXBDSA-N 2 0 328.457 -0.548 20 0 EBADRP C[C@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)C1CC[NH+](C)CC1 ZINC001367696115 1133750086 /nfs/dbraw/zinc/75/00/86/1133750086.db2.gz NDVABPLQLOGPFP-HIFRSBDPSA-N 2 0 340.468 -0.594 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001367902400 1133832636 /nfs/dbraw/zinc/83/26/36/1133832636.db2.gz YXAQIVWDUMVVIY-NEPJUHHUSA-N 2 0 325.413 -0.979 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC001368109865 1133942017 /nfs/dbraw/zinc/94/20/17/1133942017.db2.gz SQNGIOASCPPERQ-STQMWFEESA-N 2 0 339.440 -0.493 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]CC(=O)NC(N)=O)C1CCCC1 ZINC001368130501 1133952351 /nfs/dbraw/zinc/95/23/51/1133952351.db2.gz CCZBHZRAGGBIGN-LBPRGKRZSA-N 2 0 327.429 -0.602 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001368193439 1133986263 /nfs/dbraw/zinc/98/62/63/1133986263.db2.gz DPPRFRYQENFSGG-BBRMVZONSA-N 2 0 335.456 -0.120 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+]CC(=O)NC(=O)NC)C1 ZINC001368199215 1133987624 /nfs/dbraw/zinc/98/76/24/1133987624.db2.gz ZINWGKFXPBPMSD-MRXNPFEDSA-N 2 0 341.456 -0.388 20 0 EBADRP C[C@@H]([NH2+]C[C@@]1(C)CCN(C(=O)CCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001368201786 1133988279 /nfs/dbraw/zinc/98/82/79/1133988279.db2.gz WPNXYNRHTJINJI-MLGOLLRUSA-N 2 0 341.456 -0.260 20 0 EBADRP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001368248580 1134022996 /nfs/dbraw/zinc/02/29/96/1134022996.db2.gz JHFXSZQTHYGSKV-BBRMVZONSA-N 2 0 340.468 -0.500 20 0 EBADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@](O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001368273439 1134081902 /nfs/dbraw/zinc/08/19/02/1134081902.db2.gz VVIVROMZELIXFW-YOEHRIQHSA-N 2 0 340.468 -0.465 20 0 EBADRP CCN1CC[C@H]([N@@H+]2CC[C@](O)(CNC(=O)C[NH+](C)C(C)C)C2)C1=O ZINC001368276888 1134089115 /nfs/dbraw/zinc/08/91/15/1134089115.db2.gz QMUNUCRMCJHPDQ-YOEHRIQHSA-N 2 0 340.468 -0.500 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@@]1(O)CC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC001368280703 1134094974 /nfs/dbraw/zinc/09/49/74/1134094974.db2.gz BVGPEGXUNXCRAQ-PBHICJAKSA-N 2 0 348.451 -0.586 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001368350401 1134159386 /nfs/dbraw/zinc/15/93/86/1134159386.db2.gz KQDXWLNLTAXSOT-NWDGAFQWSA-N 2 0 327.429 -0.794 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001368452497 1134237653 /nfs/dbraw/zinc/23/76/53/1134237653.db2.gz BLNZYDOWSLBVNI-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001368505981 1134258041 /nfs/dbraw/zinc/25/80/41/1134258041.db2.gz CPGSMJNBEHKMSI-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC(N)=O)CC2)CCC1 ZINC001368518934 1134270695 /nfs/dbraw/zinc/27/06/95/1134270695.db2.gz RPJBQPAPZOEFOT-GFCCVEGCSA-N 2 0 339.440 -0.364 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001368532534 1134278571 /nfs/dbraw/zinc/27/85/71/1134278571.db2.gz ASNGVHFHDNNEMR-LPWJVIDDSA-N 2 0 339.440 -0.462 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@@H](O)Cn3cccn3)C2)C1 ZINC001368534892 1134279578 /nfs/dbraw/zinc/27/95/78/1134279578.db2.gz FJNXICHBARVJBP-CAOSSQGBSA-N 2 0 335.452 -0.320 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001368562563 1134291364 /nfs/dbraw/zinc/29/13/64/1134291364.db2.gz SDYYRXWOAQQRNE-CHWSQXEVSA-N 2 0 341.456 -0.308 20 0 EBADRP CNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001368611904 1134322910 /nfs/dbraw/zinc/32/29/10/1134322910.db2.gz HHGVOKQSINIBEP-RHSMWYFYSA-N 2 0 340.468 -0.450 20 0 EBADRP CCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001368629283 1134341451 /nfs/dbraw/zinc/34/14/51/1134341451.db2.gz KYYDESBZJCFTRT-CZUORRHYSA-N 2 0 328.457 -0.594 20 0 EBADRP CCN(C)C(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001368630677 1134343715 /nfs/dbraw/zinc/34/37/15/1134343715.db2.gz QAKZBJIDVMZRKC-PBHICJAKSA-N 2 0 340.468 -0.641 20 0 EBADRP CCN(C)C(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001368630694 1134343856 /nfs/dbraw/zinc/34/38/56/1134343856.db2.gz QAKZBJIDVMZRKC-YOEHRIQHSA-N 2 0 340.468 -0.641 20 0 EBADRP CNC(=O)C[NH2+]CC1(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCOCC1 ZINC001368632654 1134345427 /nfs/dbraw/zinc/34/54/27/1134345427.db2.gz GHMVHSAIEFRLOS-OKILXGFUSA-N 2 0 340.468 -0.140 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@](CO)([NH2+]CCn2cncn2)C1 ZINC001368636007 1134347795 /nfs/dbraw/zinc/34/77/95/1134347795.db2.gz YZKWLEDTHNILFZ-INIZCTEOSA-N 2 0 338.456 -0.437 20 0 EBADRP CN1CC[C@H]([NH2+]CC2(NC(=O)CC[NH+](C)C)CCOCC2)C1=O ZINC001368635593 1134348093 /nfs/dbraw/zinc/34/80/93/1134348093.db2.gz OGNNGGZBDIDXBM-ZDUSSCGKSA-N 2 0 326.441 -0.576 20 0 EBADRP CC[C@H]([NH2+]CC1(O)CCN(C(=O)CC[N@H+](C)CC)CC1)C(N)=O ZINC001368682984 1134381128 /nfs/dbraw/zinc/38/11/28/1134381128.db2.gz PLSGIXNDSKNEAM-ZDUSSCGKSA-N 2 0 328.457 -0.465 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(O)(C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001368689274 1134389607 /nfs/dbraw/zinc/38/96/07/1134389607.db2.gz QWADEDMUVIWHIA-KBPBESRZSA-N 2 0 340.468 -0.322 20 0 EBADRP CC[C@@H](C(=O)NCC[C@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC)[NH+](C)C ZINC001368738481 1134414935 /nfs/dbraw/zinc/41/49/35/1134414935.db2.gz YKJQNGJXJVQMOR-TUAOUCFPSA-N 2 0 329.445 -0.345 20 0 EBADRP COC[C@H](O)C[NH+]1CCC(CO)(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001368773215 1134434000 /nfs/dbraw/zinc/43/40/00/1134434000.db2.gz SZOFAKJULPUNEL-CQSZACIVSA-N 2 0 341.452 -0.967 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001368783768 1134439822 /nfs/dbraw/zinc/43/98/22/1134439822.db2.gz YPZPMEUBYJAOHI-STQMWFEESA-N 2 0 339.440 -0.493 20 0 EBADRP C[C@@H]([NH2+]CC(=O)N(C)C)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001368889184 1134475861 /nfs/dbraw/zinc/47/58/61/1134475861.db2.gz NVUZMVUKJFAMNM-OLZOCXBDSA-N 2 0 328.457 -0.332 20 0 EBADRP COC[C@@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001369128171 1134579248 /nfs/dbraw/zinc/57/92/48/1134579248.db2.gz AUCDJKVJWZEYQE-GVRJEKJASA-N 2 0 325.453 -0.228 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(CO[C@@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001369158417 1134599233 /nfs/dbraw/zinc/59/92/33/1134599233.db2.gz JGKQQNGYNPBYIO-ZIAGYGMSSA-N 2 0 338.452 -0.447 20 0 EBADRP CNC(=O)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001369158217 1134599530 /nfs/dbraw/zinc/59/95/30/1134599530.db2.gz VWMDSJPUNHKLQC-JSGCOSHPSA-N 2 0 326.441 -0.578 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001369168013 1134603995 /nfs/dbraw/zinc/60/39/95/1134603995.db2.gz ILLJGQUFRFKKHC-MIGQKNRLSA-N 2 0 325.453 -0.180 20 0 EBADRP C[C@H](CN(C)C(=O)C[N@H+](C)C1CCC1)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001369248760 1134629385 /nfs/dbraw/zinc/62/93/85/1134629385.db2.gz BSDUKFPNERLVMX-GHMZBOCLSA-N 2 0 327.429 -0.509 20 0 EBADRP C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+]CC(=O)NC(N)=O ZINC001369291104 1134642276 /nfs/dbraw/zinc/64/22/76/1134642276.db2.gz DRHXXIFPVQQMFK-LBPRGKRZSA-N 2 0 327.429 -0.506 20 0 EBADRP Cn1nnc2cc(C[NH2+][C@H](CO)CNC(=O)[C@@H]3CCC[N@@H+]3C)ccc21 ZINC001369318211 1134658473 /nfs/dbraw/zinc/65/84/73/1134658473.db2.gz FGHUGPZANWNDLR-BBRMVZONSA-N 2 0 346.435 -0.371 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC(C)(C)C)[NH+](C)C ZINC001369343802 1134691316 /nfs/dbraw/zinc/69/13/16/1134691316.db2.gz CENYFLAZENAJQQ-TZMCWYRMSA-N 2 0 330.473 -0.446 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCCC2)CC1 ZINC001369348828 1134698102 /nfs/dbraw/zinc/69/81/02/1134698102.db2.gz OJGBRJKOGHBHQQ-CQSZACIVSA-N 2 0 326.441 -0.983 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H](CO)[NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC001369359191 1134710286 /nfs/dbraw/zinc/71/02/86/1134710286.db2.gz FBOLEUPSSJXYKM-XJKSGUPXSA-N 2 0 348.447 -0.306 20 0 EBADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H](CO)[NH2+][C@@H]2CCNC2=O)c1 ZINC001369373647 1134729805 /nfs/dbraw/zinc/72/98/05/1134729805.db2.gz LRMMPHDQNQCTRT-HUUCEWRRSA-N 2 0 334.420 -0.683 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](CO)[NH2+]Cc1cncs1 ZINC001369381090 1134742493 /nfs/dbraw/zinc/74/24/93/1134742493.db2.gz ITADAKRHIXTEMY-CHWSQXEVSA-N 2 0 342.465 -0.322 20 0 EBADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001369438113 1134779174 /nfs/dbraw/zinc/77/91/74/1134779174.db2.gz CAVOQNOCNDRVLM-CYBMUJFWSA-N 2 0 343.493 -0.047 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C(C)(C)C1 ZINC001369455343 1134794068 /nfs/dbraw/zinc/79/40/68/1134794068.db2.gz IHGQFMRVJJYQAZ-RYUDHWBXSA-N 2 0 341.456 -0.263 20 0 EBADRP C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1)C(=O)N(C)C ZINC001369475774 1134835508 /nfs/dbraw/zinc/83/55/08/1134835508.db2.gz SPPUESOSIKVOTE-OLZOCXBDSA-N 2 0 328.457 -0.644 20 0 EBADRP Cc1nn(C)cc1C[NH2+]C[C@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001369482282 1134849469 /nfs/dbraw/zinc/84/94/69/1134849469.db2.gz SHKFOILSINZLFR-ZBFHGGJFSA-N 2 0 337.468 -0.021 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC2CC2)C1 ZINC001369484231 1134853408 /nfs/dbraw/zinc/85/34/08/1134853408.db2.gz PTKVKORFRYPFLZ-OCCSQVGLSA-N 2 0 326.441 -0.984 20 0 EBADRP C[C@H]([NH2+]C1CC(N(C)C(=O)COC2CC[NH+](C)CC2)C1)C(N)=O ZINC001369580035 1134947815 /nfs/dbraw/zinc/94/78/15/1134947815.db2.gz UXYQSOFGNBVCCT-HIFPTAJRSA-N 2 0 326.441 -0.450 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCN1CC[NH+](CCO)CC1 ZINC001369926994 1135098141 /nfs/dbraw/zinc/09/81/41/1135098141.db2.gz BXFYWRRZSXPGTE-MRXNPFEDSA-N 2 0 326.485 -0.025 20 0 EBADRP C[NH+](C)CCC(=O)NC1(CCO)CN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001370010685 1135172124 /nfs/dbraw/zinc/17/21/24/1135172124.db2.gz YMBWZXNDDMRIHU-UHFFFAOYSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001370401499 1135335477 /nfs/dbraw/zinc/33/54/77/1135335477.db2.gz CXTKCJBWENXRAH-ZDUSSCGKSA-N 2 0 334.486 -0.590 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001370459595 1135359830 /nfs/dbraw/zinc/35/98/30/1135359830.db2.gz QSYMVYWTOCSUFC-CYDGBPFRSA-N 2 0 339.440 -0.321 20 0 EBADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1)[NH+](C)C ZINC001370547126 1135403599 /nfs/dbraw/zinc/40/35/99/1135403599.db2.gz JUNNRXCVWWSFIY-AAVRWANBSA-N 2 0 331.482 -0.002 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1)C(=O)NC(N)=O ZINC001370639150 1135442198 /nfs/dbraw/zinc/44/21/98/1135442198.db2.gz QHJNLIAVGSZYNB-FVCCEPFGSA-N 2 0 339.440 -0.319 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001370702403 1135518968 /nfs/dbraw/zinc/51/89/68/1135518968.db2.gz HQCANVSNYKTEKU-MELADBBJSA-N 2 0 331.482 0.000 20 0 EBADRP C[N@H+](CC(=O)N[C@H](CO)CNC(=O)[C@H]1CCCC[NH+]1C)C1CCC1 ZINC001370749974 1135588731 /nfs/dbraw/zinc/58/87/31/1135588731.db2.gz WFSKJXHCUUDKPA-DZGCQCFKSA-N 2 0 340.468 -0.452 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001370750171 1135589850 /nfs/dbraw/zinc/58/98/50/1135589850.db2.gz WZKBTCJKEVADDJ-KGLIPLIRSA-N 2 0 328.457 -0.594 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@@H](CO)NC(=O)C1([NH+](C)C)CCC1)[NH+](C)C ZINC001370758038 1135600480 /nfs/dbraw/zinc/60/04/80/1135600480.db2.gz QZYAMBPSLXXPTG-KBPBESRZSA-N 2 0 342.484 -0.350 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](CO)NC(=O)C[NH+]2CCCC2)C1 ZINC001370800996 1135643773 /nfs/dbraw/zinc/64/37/73/1135643773.db2.gz FYOSXEKNQLITIE-KGLIPLIRSA-N 2 0 326.441 -0.983 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001370857708 1135673951 /nfs/dbraw/zinc/67/39/51/1135673951.db2.gz YLZQVVDVQJVDLS-STQMWFEESA-N 2 0 341.456 -0.390 20 0 EBADRP CN(C[C@@H](O)CNC(=O)CC[NH+](C)C)C(=O)C12CCC[NH+]1CCC2 ZINC001370998352 1135753784 /nfs/dbraw/zinc/75/37/84/1135753784.db2.gz HEIDBLQQDWXPQO-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP CN(C[C@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)C[NH+]1CCCC1 ZINC001371002843 1135759934 /nfs/dbraw/zinc/75/99/34/1135759934.db2.gz AICNJTZMHPRHSA-LSDHHAIUSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@H](O)COC)C[C@H]32)CC[N@@H+]1C ZINC001371007218 1135766251 /nfs/dbraw/zinc/76/62/51/1135766251.db2.gz SUIDEZPBYCEDNM-YZXKGSGOSA-N 2 0 325.453 -0.230 20 0 EBADRP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCN(C)S(C)(=O)=O ZINC001371240744 1135870765 /nfs/dbraw/zinc/87/07/65/1135870765.db2.gz QCUNCJNFVQFMEE-CHWSQXEVSA-N 2 0 334.486 -0.544 20 0 EBADRP C[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CC(=O)N(C)C1CC1 ZINC001371470882 1135928912 /nfs/dbraw/zinc/92/89/12/1135928912.db2.gz RQIAKMLKDFFFEP-UONOGXRCSA-N 2 0 340.468 -0.330 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001371512932 1135942398 /nfs/dbraw/zinc/94/23/98/1135942398.db2.gz PPXWIBILENUNEX-NWDGAFQWSA-N 2 0 325.413 -0.755 20 0 EBADRP CC[C@H](C(=O)N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1O)[NH+](C)C ZINC001371529244 1135953850 /nfs/dbraw/zinc/95/38/50/1135953850.db2.gz IEKVOLGJUKJFSH-MCIONIFRSA-N 2 0 340.468 -0.644 20 0 EBADRP CC[C@H](C(=O)N[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@@H]1O)[NH+](C)C ZINC001371529696 1135954415 /nfs/dbraw/zinc/95/44/15/1135954415.db2.gz LZOYYQKKPYTTMY-MCIONIFRSA-N 2 0 328.457 -0.644 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001371533470 1135957572 /nfs/dbraw/zinc/95/75/72/1135957572.db2.gz YOLHFOUXKLJPOZ-RYUDHWBXSA-N 2 0 327.429 -0.637 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001371543277 1135964345 /nfs/dbraw/zinc/96/43/45/1135964345.db2.gz SGUVZVUGCOKEPE-IJEWVQPXSA-N 2 0 342.484 -0.398 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001371649864 1135992642 /nfs/dbraw/zinc/99/26/42/1135992642.db2.gz WGZVCYVXSXJSMK-NWDGAFQWSA-N 2 0 339.440 -0.460 20 0 EBADRP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001371882871 1136047324 /nfs/dbraw/zinc/04/73/24/1136047324.db2.gz RYRYXSLFHIKIJO-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C[C@H](O)COCC(F)(F)F ZINC001372220819 1136143555 /nfs/dbraw/zinc/14/35/55/1136143555.db2.gz PDALNONDMUYPPM-NEPJUHHUSA-N 2 0 341.374 -0.074 20 0 EBADRP CN(C)C(=O)CN1CCC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001372557967 1136231807 /nfs/dbraw/zinc/23/18/07/1136231807.db2.gz TUQMXBXMMXXDNJ-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](CC(=O)N2CCOCC2)C1 ZINC001372670177 1136264646 /nfs/dbraw/zinc/26/46/46/1136264646.db2.gz LWVRDZZAEQKFDV-HNNXBMFYSA-N 2 0 340.468 -0.375 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)N1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001373398563 1136444613 /nfs/dbraw/zinc/44/46/13/1136444613.db2.gz BDCPQFUUZWLXHZ-AVGNSLFASA-N 2 0 339.440 -0.365 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC001373601912 1136510518 /nfs/dbraw/zinc/51/05/18/1136510518.db2.gz UHXZSCGDCNONNJ-KBPBESRZSA-N 2 0 326.441 -0.888 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@](C)(NC(=O)CCN1CCOCC1)C1CC1 ZINC001373896227 1136582712 /nfs/dbraw/zinc/58/27/12/1136582712.db2.gz PVNHHCHJLRNWQP-KRWDZBQOSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CC1)[NH+](C)C ZINC001373915372 1136586100 /nfs/dbraw/zinc/58/61/00/1136586100.db2.gz PZFZHCCTSAOEMU-JHJVBQTASA-N 2 0 338.456 -0.034 20 0 EBADRP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C[NH2+]CC(=O)NC(N)=O ZINC001374044565 1136612904 /nfs/dbraw/zinc/61/29/04/1136612904.db2.gz BZCZNFLWDVBBAI-LLVKDONJSA-N 2 0 327.429 -0.602 20 0 EBADRP CNC(=O)C[NH2+]C[C@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001374048537 1136613592 /nfs/dbraw/zinc/61/35/92/1136613592.db2.gz ZBQGQBUZFYLJMN-LBPRGKRZSA-N 2 0 330.392 -0.031 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001374378701 1136680247 /nfs/dbraw/zinc/68/02/47/1136680247.db2.gz APIVBTZBJJTWNG-STQMWFEESA-N 2 0 341.456 -0.390 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CC(N)=O)n1 ZINC001374568859 1136722396 /nfs/dbraw/zinc/72/23/96/1136722396.db2.gz HKMLCXGISAJULQ-OLZOCXBDSA-N 2 0 336.440 -0.582 20 0 EBADRP C[NH+](C)CC1(C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(C)(C)C)CC1 ZINC001374635872 1136765156 /nfs/dbraw/zinc/76/51/56/1136765156.db2.gz JBKLNVPOQCACTI-GFCCVEGCSA-N 2 0 328.457 -0.690 20 0 EBADRP C[NH+]1CCC(OCC(=O)NC[C@@H](O)C[NH2+]Cc2ccccn2)CC1 ZINC001374657263 1136780055 /nfs/dbraw/zinc/78/00/55/1136780055.db2.gz ISAPGIVBFPXZFF-HNNXBMFYSA-N 2 0 336.436 -0.241 20 0 EBADRP Cc1nnsc1C[NH2+]C[C@H](O)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001374677268 1136794928 /nfs/dbraw/zinc/79/49/28/1136794928.db2.gz YOWRYVWMIKMXDQ-AAEUAGOBSA-N 2 0 329.470 -0.001 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCCCCC1 ZINC001374679994 1136797097 /nfs/dbraw/zinc/79/70/97/1136797097.db2.gz APLUVWKNERGLNZ-HNNXBMFYSA-N 2 0 342.484 -0.204 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001374719080 1136812922 /nfs/dbraw/zinc/81/29/22/1136812922.db2.gz GACWEEMCJNUFCF-QWHCGFSZSA-N 2 0 341.456 -0.247 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC[C@H]1CCCO1)NC(=O)C1([NH+](C)C)CCC1 ZINC001374769553 1136827462 /nfs/dbraw/zinc/82/74/62/1136827462.db2.gz DJOLDXALBOIWPD-ZIAGYGMSSA-N 2 0 340.468 -0.140 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001374773012 1136828803 /nfs/dbraw/zinc/82/88/03/1136828803.db2.gz UKRTYPHIDLUGPD-YPMHNXCESA-N 2 0 339.440 -0.317 20 0 EBADRP C[C@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001374822529 1136842295 /nfs/dbraw/zinc/84/22/95/1136842295.db2.gz QTGVTYVFFZZPGP-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001374906935 1136870800 /nfs/dbraw/zinc/87/08/00/1136870800.db2.gz VWAYLDXERUQZEL-GMXVVIOVSA-N 2 0 341.456 -0.202 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CCO1 ZINC000332192213 282122371 /nfs/dbraw/zinc/12/23/71/282122371.db2.gz QSCUVMXXKQKKAC-LJISPDSOSA-N 2 0 338.452 -0.639 20 0 EBADRP C[NH2+]CCOCCNS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000624395647 376209262 /nfs/dbraw/zinc/20/92/62/376209262.db2.gz ICFRFRAHXYGOOW-UHFFFAOYSA-N 2 0 347.485 -0.424 20 0 EBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000643543685 375890136 /nfs/dbraw/zinc/89/01/36/375890136.db2.gz FBFOGZPUDDZXKG-ZIAGYGMSSA-N 2 0 328.457 -0.249 20 0 EBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000643553463 375899416 /nfs/dbraw/zinc/89/94/16/375899416.db2.gz BSXPRNNYTMWALJ-MGPQQGTHSA-N 2 0 326.441 -0.450 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC000583999974 375973444 /nfs/dbraw/zinc/97/34/44/375973444.db2.gz HWMHCQIBQQXESL-DZGCQCFKSA-N 2 0 338.452 -0.624 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CCSC1 ZINC000642768870 376087827 /nfs/dbraw/zinc/08/78/27/376087827.db2.gz MXEMNAXYHRFHSX-QCQGSNGOSA-N 2 0 340.493 -0.264 20 0 EBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCC(C)CC2)CCO1 ZINC000642732161 376056292 /nfs/dbraw/zinc/05/62/92/376056292.db2.gz JQDFAJOWAOIKKC-ZIAGYGMSSA-N 2 0 326.441 -0.591 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642758097 376082271 /nfs/dbraw/zinc/08/22/71/376082271.db2.gz AMDWIFXSPYNPPA-RRFJBIMHSA-N 2 0 338.452 -0.576 20 0 EBADRP Cc1cc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)on1 ZINC000557052186 376157461 /nfs/dbraw/zinc/15/74/61/376157461.db2.gz HCVGXJGJBRANQK-UHFFFAOYSA-N 2 0 325.413 -0.449 20 0 EBADRP C[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])C(C)(C)C[NH+](C)C ZINC000557292605 376170100 /nfs/dbraw/zinc/17/01/00/376170100.db2.gz WQABBQVEPHNCET-QWHCGFSZSA-N 2 0 327.473 -0.820 20 0 EBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000642793136 376187993 /nfs/dbraw/zinc/18/79/93/376187993.db2.gz KBHYGWSXBRQDLJ-GFCCVEGCSA-N 2 0 328.482 -0.072 20 0 EBADRP CC[NH2+]CCCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000561203000 376814686 /nfs/dbraw/zinc/81/46/86/376814686.db2.gz LMFKBMOXADYDST-UHFFFAOYSA-N 2 0 325.457 -0.064 20 0 EBADRP CN1CCN(C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H](C[NH3+])C1 ZINC000561234630 376817422 /nfs/dbraw/zinc/81/74/22/376817422.db2.gz QLZATFJNXXWZHM-UONOGXRCSA-N 2 0 341.500 -0.430 20 0 EBADRP CN1CC[C@H](NC(=O)C(=O)NC2C[NH2+]C2)[C@H]1c1ccc(F)c(F)c1 ZINC000561226963 376817584 /nfs/dbraw/zinc/81/75/84/376817584.db2.gz KOAYJFANUMUXFO-UONOGXRCSA-N 2 0 338.358 -0.086 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000562012100 376904884 /nfs/dbraw/zinc/90/48/84/376904884.db2.gz GWXDAWJNUNELAL-CABCVRRESA-N 2 0 337.468 -0.955 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000572712888 377065416 /nfs/dbraw/zinc/06/54/16/377065416.db2.gz JHOGZRJVKYHXIT-HUUCEWRRSA-N 2 0 340.468 -0.247 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)CC1 ZINC000569928053 377184675 /nfs/dbraw/zinc/18/46/75/377184675.db2.gz WHRJGKYGNVXSSO-IXDOHACOSA-N 2 0 341.496 -0.106 20 0 EBADRP C[NH+]1CCC(CNc2cc[nH+]cc2C(N)=O)(N2CCOCC2)CC1 ZINC000570662648 377266772 /nfs/dbraw/zinc/26/67/72/377266772.db2.gz XTMYOLHYEBLOOR-UHFFFAOYSA-N 2 0 333.436 -0.189 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627367435 377417354 /nfs/dbraw/zinc/41/73/54/377417354.db2.gz UEBLIHKBRYUSPC-HIFRSBDPSA-N 2 0 340.468 -0.140 20 0 EBADRP [NH3+]Cc1ccc(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(F)c1 ZINC000595272395 377988270 /nfs/dbraw/zinc/98/82/70/377988270.db2.gz YOJWJIIZUZZQIG-OCCSQVGLSA-N 2 0 335.383 -0.262 20 0 EBADRP COC(=O)CCN1CCC[C@@H]([N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C1=O ZINC000595890810 378032491 /nfs/dbraw/zinc/03/24/91/378032491.db2.gz FGMZADLBPSSRBQ-LSDHHAIUSA-N 2 0 338.452 -0.480 20 0 EBADRP CCOC(=O)[C@@H](N)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000595958795 378038191 /nfs/dbraw/zinc/03/81/91/378038191.db2.gz BGLGAYHQBQNFAY-HNNXBMFYSA-N 2 0 348.447 -0.014 20 0 EBADRP CCOC(=O)C[C@@H](O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000599328609 378230332 /nfs/dbraw/zinc/23/03/32/378230332.db2.gz AXNJCGZJVMAFIB-CQSZACIVSA-N 2 0 329.441 -0.310 20 0 EBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000602148025 378334445 /nfs/dbraw/zinc/33/44/45/378334445.db2.gz IFGAHBWFZZPAIV-OAHLLOKOSA-N 2 0 340.468 -0.423 20 0 EBADRP C[N@H+](CCc1ccccc1)CC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000602528540 378361504 /nfs/dbraw/zinc/36/15/04/378361504.db2.gz RUNLWLULRUABEO-JKSUJKDBSA-N 2 0 330.432 -0.069 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000627378360 378399328 /nfs/dbraw/zinc/39/93/28/378399328.db2.gz KASAAQPYJFZKSD-ZDUSSCGKSA-N 2 0 326.441 -0.719 20 0 EBADRP Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)CCOC2C[NH2+]C2)cn1 ZINC000563095460 378415349 /nfs/dbraw/zinc/41/53/49/378415349.db2.gz UMWZXSKPYXCCSU-KBPBESRZSA-N 2 0 339.415 -0.173 20 0 EBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000563143419 378452642 /nfs/dbraw/zinc/45/26/42/378452642.db2.gz NAHZDGOCCUMCTJ-CHWSQXEVSA-N 2 0 327.473 -0.629 20 0 EBADRP C[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[C@H]1CN(C)CCO1 ZINC000636949484 378437818 /nfs/dbraw/zinc/43/78/18/378437818.db2.gz HSDIEVVUXBUUQS-MELADBBJSA-N 2 0 341.456 -0.656 20 0 EBADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1=O ZINC000365415967 378527720 /nfs/dbraw/zinc/52/77/20/378527720.db2.gz SGRKJKYIJBOVSC-ILXRZTDVSA-N 2 0 338.452 -0.624 20 0 EBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000324853610 378537001 /nfs/dbraw/zinc/53/70/01/378537001.db2.gz FMDLOQGGUMLELY-LBPRGKRZSA-N 2 0 339.440 -0.458 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN(C)S(C)(=O)=O ZINC000338083610 378735031 /nfs/dbraw/zinc/73/50/31/378735031.db2.gz HXYPJOQQQXDFBG-CQSZACIVSA-N 2 0 348.513 -0.248 20 0 EBADRP O=C(NCCCN1CCOCC1)C(=O)N1CCC(n2ccnc2)CC1 ZINC000339494408 378929471 /nfs/dbraw/zinc/92/94/71/378929471.db2.gz UWMDEJLOZVOLQD-UHFFFAOYSA-N 2 0 349.435 -0.115 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000339633950 378961356 /nfs/dbraw/zinc/96/13/56/378961356.db2.gz IHWZKISUWDCWFR-OKILXGFUSA-N 2 0 340.468 -0.188 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)C1 ZINC000339730589 378983837 /nfs/dbraw/zinc/98/38/37/378983837.db2.gz SHXYETNZVQKFEH-CQSZACIVSA-N 2 0 328.457 -0.521 20 0 EBADRP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1=O ZINC000452794300 379096906 /nfs/dbraw/zinc/09/69/06/379096906.db2.gz GFAVFVSHNQUAKY-CABCVRRESA-N 2 0 340.468 -0.641 20 0 EBADRP CC(C)(CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[NH+]1CCCCC1 ZINC000627291076 379121224 /nfs/dbraw/zinc/12/12/24/379121224.db2.gz JUTLOJGNHJAXBS-ZDUSSCGKSA-N 2 0 326.441 -0.528 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCN(C)C[C@H]1c1ccccc1 ZINC000629785892 379135445 /nfs/dbraw/zinc/13/54/45/379135445.db2.gz HCGKGQSSNPUZMG-INIZCTEOSA-N 2 0 348.447 -0.065 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)NCC2([NH3+])CCOCC2)CCCC1 ZINC000627290453 379118368 /nfs/dbraw/zinc/11/83/68/379118368.db2.gz PWHNKYMDGYIDEP-UHFFFAOYSA-N 2 0 326.441 -0.399 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC[NH2+]1 ZINC000629817429 379161549 /nfs/dbraw/zinc/16/15/49/379161549.db2.gz NOPGGSJOGVURGW-AWEZNQCLSA-N 2 0 338.452 -0.480 20 0 EBADRP CC[NH+]1CCC(CCNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627296034 379140109 /nfs/dbraw/zinc/14/01/09/379140109.db2.gz UVBLYHYMPPGZDL-CQSZACIVSA-N 2 0 326.441 -0.671 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000629798174 379140331 /nfs/dbraw/zinc/14/03/31/379140331.db2.gz IUAVERJBXOSFMV-OAHLLOKOSA-N 2 0 340.468 -0.103 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000629798173 379141234 /nfs/dbraw/zinc/14/12/34/379141234.db2.gz IUAVERJBXOSFMV-HNNXBMFYSA-N 2 0 340.468 -0.103 20 0 EBADRP CN(CC(=O)NCC(C)(C)N1CCOCC1)[C@@H]1CCC(=O)N(C)C1 ZINC000571384846 379166250 /nfs/dbraw/zinc/16/62/50/379166250.db2.gz QKCDIYAKGTZHAQ-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCOCC[NH3+])C[C@H]1C ZINC000629799391 379142194 /nfs/dbraw/zinc/14/21/94/379142194.db2.gz PFOMVJLRPIIVGZ-ZIAGYGMSSA-N 2 0 328.457 -0.249 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000629800187 379142576 /nfs/dbraw/zinc/14/25/76/379142576.db2.gz PYWHOZJBGCFQNQ-KGLIPLIRSA-N 2 0 326.441 -0.637 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000627297015 379142712 /nfs/dbraw/zinc/14/27/12/379142712.db2.gz ZNNDQCMTFNMZGG-MRXNPFEDSA-N 2 0 348.447 -0.323 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000629802455 379146454 /nfs/dbraw/zinc/14/64/54/379146454.db2.gz IDDKNFRMAOUQEV-AWEZNQCLSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000627297754 379147328 /nfs/dbraw/zinc/14/73/28/379147328.db2.gz RTYNBUPULSNSIO-HZPDHXFCSA-N 2 0 348.447 -0.100 20 0 EBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000629806368 379150469 /nfs/dbraw/zinc/15/04/69/379150469.db2.gz WHWWAZPWXKGAFQ-CQSZACIVSA-N 2 0 338.452 -0.351 20 0 EBADRP C[NH+](C)CC(C)(C)NC(=O)COCC(=O)NC(C)(C)C[NH+](C)C ZINC000457210574 379181911 /nfs/dbraw/zinc/18/19/11/379181911.db2.gz PSFMWHFGKMSTAK-UHFFFAOYSA-N 2 0 330.473 -0.084 20 0 EBADRP CN1CCN(C(=O)C(=O)NCCC[NH+]2CCCCC2)[C@@H](C[NH3+])C1 ZINC000571539993 379213166 /nfs/dbraw/zinc/21/31/66/379213166.db2.gz SGVRAUCNLFQCRH-AWEZNQCLSA-N 2 0 325.457 -0.920 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCC(=O)N2CC[NH2+]CC2)C1 ZINC000571538438 379213861 /nfs/dbraw/zinc/21/38/61/379213861.db2.gz WAVFIGCZTGKMMP-CQSZACIVSA-N 2 0 341.456 -0.926 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627302719 379233603 /nfs/dbraw/zinc/23/36/03/379233603.db2.gz WPGUSUZIDLPUCZ-GXTWGEPZSA-N 2 0 326.441 -0.530 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000627301910 379228546 /nfs/dbraw/zinc/22/85/46/379228546.db2.gz SDHQDTBCAQBTHT-PBHICJAKSA-N 2 0 342.484 -0.035 20 0 EBADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627312236 379304383 /nfs/dbraw/zinc/30/43/83/379304383.db2.gz UGWJTRALHXFMNV-LJISPDSOSA-N 2 0 340.468 -0.426 20 0 EBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000642640921 379537681 /nfs/dbraw/zinc/53/76/81/379537681.db2.gz LUBMHOXZIRVDCJ-ZBFHGGJFSA-N 2 0 348.447 -0.143 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000627394934 379581214 /nfs/dbraw/zinc/58/12/14/379581214.db2.gz UYTFLAHDUXCGJB-UHFFFAOYSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627409608 379586378 /nfs/dbraw/zinc/58/63/78/379586378.db2.gz IUEKDOKDCBVFRX-CYBMUJFWSA-N 2 0 326.441 -0.589 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000627425689 379593437 /nfs/dbraw/zinc/59/34/37/379593437.db2.gz XFAYCLATZFUNLO-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000627358046 379561863 /nfs/dbraw/zinc/56/18/63/379561863.db2.gz ZAJYBZAKLOXACQ-AWEZNQCLSA-N 2 0 328.457 -0.471 20 0 EBADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627363879 379565036 /nfs/dbraw/zinc/56/50/36/379565036.db2.gz ZHZJHHQHOLJUPC-HUUCEWRRSA-N 2 0 340.468 -0.138 20 0 EBADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627363878 379566511 /nfs/dbraw/zinc/56/65/11/379566511.db2.gz ZHZJHHQHOLJUPC-GJZGRUSLSA-N 2 0 340.468 -0.138 20 0 EBADRP C[NH+](C)CCC1CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627486465 379633866 /nfs/dbraw/zinc/63/38/66/379633866.db2.gz CAPGVUGYXDINSC-UHFFFAOYSA-N 2 0 328.457 -0.342 20 0 EBADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCCOCCC[NH3+] ZINC000627486340 379634586 /nfs/dbraw/zinc/63/45/86/379634586.db2.gz YKUDMAGHDSPQLG-ZDUSSCGKSA-N 2 0 328.457 -0.343 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000627484558 379634702 /nfs/dbraw/zinc/63/47/02/379634702.db2.gz BBEKHIWOZHYIAL-AWEZNQCLSA-N 2 0 326.441 -0.445 20 0 EBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCCOCCC[NH3+] ZINC000627488627 379635787 /nfs/dbraw/zinc/63/57/87/379635787.db2.gz DFSKPPPBQGYJPZ-CQSZACIVSA-N 2 0 328.457 -0.199 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000627489337 379640117 /nfs/dbraw/zinc/64/01/17/379640117.db2.gz YYJMFRJNVHSUMK-UHFFFAOYSA-N 2 0 340.468 -0.055 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000627503420 379646174 /nfs/dbraw/zinc/64/61/74/379646174.db2.gz LRGQAHFEQXOJFL-MELADBBJSA-N 2 0 326.441 -0.578 20 0 EBADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627452409 379604076 /nfs/dbraw/zinc/60/40/76/379604076.db2.gz JYIRAGMBZBMELN-GFCCVEGCSA-N 2 0 326.441 -0.401 20 0 EBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627453395 379605618 /nfs/dbraw/zinc/60/56/18/379605618.db2.gz MNPHUCBUUBXKHR-CQSZACIVSA-N 2 0 340.468 -0.057 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000627457180 379608194 /nfs/dbraw/zinc/60/81/94/379608194.db2.gz NINSONPXVINBDW-LSDHHAIUSA-N 2 0 331.420 -0.013 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000627462990 379612161 /nfs/dbraw/zinc/61/21/61/379612161.db2.gz KKBLKHAOKGQOEA-UHFFFAOYSA-N 2 0 326.441 -0.575 20 0 EBADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627468836 379614643 /nfs/dbraw/zinc/61/46/43/379614643.db2.gz FKCIAJXATZZDIT-HNNXBMFYSA-N 2 0 340.468 -0.330 20 0 EBADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000627468849 379615387 /nfs/dbraw/zinc/61/53/87/379615387.db2.gz FMGJAUZPQSTGLA-GJZGRUSLSA-N 2 0 338.452 -0.432 20 0 EBADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)NC[C@H]3COCC[NH2+]3)C2)CC1 ZINC000627469682 379618098 /nfs/dbraw/zinc/61/80/98/379618098.db2.gz BGGXZLNRPHOEQU-GJZGRUSLSA-N 2 0 338.452 -0.719 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)[C@H](C)C1 ZINC000627473996 379622821 /nfs/dbraw/zinc/62/28/21/379622821.db2.gz BICXXOUBYHLMQB-MCIONIFRSA-N 2 0 326.441 -0.720 20 0 EBADRP CC[NH+]1CCC(CCNC(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000642180630 379734003 /nfs/dbraw/zinc/73/40/03/379734003.db2.gz TZKJMQSAVOUPHB-UKRRQHHQSA-N 2 0 340.468 -0.201 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000642222579 379745207 /nfs/dbraw/zinc/74/52/07/379745207.db2.gz AMKVJLDQFIGKHC-CABCVRRESA-N 2 0 340.468 -0.282 20 0 EBADRP CCC[NH+]1CCC(CNC(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000642247028 379753174 /nfs/dbraw/zinc/75/31/74/379753174.db2.gz CVRBLENFZSTTIN-UKRRQHHQSA-N 2 0 340.468 -0.201 20 0 EBADRP [NH3+]Cc1ccc2c(c1)N(S(=O)(=O)C[C@@H]1C[NH2+]CCO1)CCO2 ZINC000631958163 379793926 /nfs/dbraw/zinc/79/39/26/379793926.db2.gz LGTQBBSXYCIMBJ-LBPRGKRZSA-N 2 0 327.406 -0.338 20 0 EBADRP [NH3+]C[C@@H]1Cc2ccccc2N(S(=O)(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000631996349 379799457 /nfs/dbraw/zinc/79/94/57/379799457.db2.gz AOBMMMQUOJBLIA-GXTWGEPZSA-N 2 0 325.434 -0.058 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N[C@@H]2CC[NH2+]CC2(C)C)CC1 ZINC000631943357 379758036 /nfs/dbraw/zinc/75/80/36/379758036.db2.gz ULMDIPCOJPVRJF-CQSZACIVSA-N 2 0 332.514 -0.069 20 0 EBADRP O=C(NCC12CC(C1)C[NH2+]2)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627116930 379808102 /nfs/dbraw/zinc/80/81/02/379808102.db2.gz RLILOILCFZKMSC-UHFFFAOYSA-N 2 0 336.440 -0.909 20 0 EBADRP C[NH+](C)CCCS(=O)(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000631882537 379769259 /nfs/dbraw/zinc/76/92/59/379769259.db2.gz DVXAUFCWNZOXSB-ZDUSSCGKSA-N 2 0 334.486 -0.555 20 0 EBADRP C[C@@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)[C@H]1CCC[NH2+]C1 ZINC000631902447 379770606 /nfs/dbraw/zinc/77/06/06/379770606.db2.gz JGMSQUXHIFKZLQ-CABCVRRESA-N 2 0 332.514 -0.069 20 0 EBADRP [NH3+]CCNC(=O)[C@@H]1CCCN(S(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000631901918 379771079 /nfs/dbraw/zinc/77/10/79/379771079.db2.gz BYAGKGRQKQCXCR-CQSZACIVSA-N 2 0 346.497 -0.411 20 0 EBADRP C[C@@H]1CC[C@@H](NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C[NH2+]1 ZINC000626979813 379771139 /nfs/dbraw/zinc/77/11/39/379771139.db2.gz LSLDXXUSFDSOEG-OAGGEKHMSA-N 2 0 339.484 -0.167 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000626979431 379771455 /nfs/dbraw/zinc/77/14/55/379771455.db2.gz BIEGYLYBBWPVKH-SOUVJXGZSA-N 2 0 325.457 -0.558 20 0 EBADRP CN(CCOCC[NH3+])C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000627002847 379774641 /nfs/dbraw/zinc/77/46/41/379774641.db2.gz WZYSQYUBDQEUKP-HUUCEWRRSA-N 2 0 328.457 -0.019 20 0 EBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000631943868 379787503 /nfs/dbraw/zinc/78/75/03/379787503.db2.gz HJZKXYTUBVTUOQ-NRXISQOPSA-N 2 0 346.497 -0.889 20 0 EBADRP [NH3+]CCCOCCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000627212775 379840624 /nfs/dbraw/zinc/84/06/24/379840624.db2.gz BMUKWXOOMGNPOJ-UHFFFAOYSA-N 2 0 341.456 -0.699 20 0 EBADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000637811504 379862746 /nfs/dbraw/zinc/86/27/46/379862746.db2.gz VDJTVOMMDFTTTP-XJKSGUPXSA-N 2 0 334.420 -0.533 20 0 EBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000637813948 379867080 /nfs/dbraw/zinc/86/70/80/379867080.db2.gz UGGDCEYLAWQCAS-ZQIUZPCESA-N 2 0 338.452 -0.576 20 0 EBADRP CN1CC[NH+](CCC(C)(C)NC(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627190176 379826699 /nfs/dbraw/zinc/82/66/99/379826699.db2.gz XSCHFZOMNHWVHY-AWEZNQCLSA-N 2 0 327.473 -0.310 20 0 EBADRP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(c2cc[nH+]cc2)CC1 ZINC000633077179 379929125 /nfs/dbraw/zinc/92/91/25/379929125.db2.gz WFAQYRBZTWJSRK-OKILXGFUSA-N 2 0 329.404 -0.307 20 0 EBADRP CC[NH+](CC)CCS(=O)(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000340048348 379974671 /nfs/dbraw/zinc/97/46/71/379974671.db2.gz TVGYTVVUYMXALR-UHFFFAOYSA-N 2 0 334.486 -0.636 20 0 EBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1 ZINC000633087168 379930868 /nfs/dbraw/zinc/93/08/68/379930868.db2.gz BZWYMLCVAVVXOA-OWCLPIDISA-N 2 0 349.479 -0.812 20 0 EBADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1=O ZINC000633106199 379940689 /nfs/dbraw/zinc/94/06/89/379940689.db2.gz LONQZPSLQPBXTG-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000633115512 379943906 /nfs/dbraw/zinc/94/39/06/379943906.db2.gz LFAAFUAWTCJWLP-KBPBESRZSA-N 2 0 339.484 -0.581 20 0 EBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000340107439 380034136 /nfs/dbraw/zinc/03/41/36/380034136.db2.gz DALBHEKLRHIUIG-CQSZACIVSA-N 2 0 341.500 -0.415 20 0 EBADRP CC[NH2+][C@H](C)C(=O)N[C@@H](C(=O)NCCN1CCOCC1)[C@H](C)CC ZINC000638074676 380089233 /nfs/dbraw/zinc/08/92/33/380089233.db2.gz ONBOCVIYCUPKBO-RBSFLKMASA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@](O)(CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)CN1CCOCC1 ZINC000073717236 380090195 /nfs/dbraw/zinc/09/01/95/380090195.db2.gz YYTYQRACUGJVMB-PBHICJAKSA-N 2 0 340.468 -0.147 20 0 EBADRP C[C@@](O)(CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)CN1CCOCC1 ZINC000073717234 380090753 /nfs/dbraw/zinc/09/07/53/380090753.db2.gz YYTYQRACUGJVMB-RHSMWYFYSA-N 2 0 340.468 -0.147 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000545176728 380083762 /nfs/dbraw/zinc/08/37/62/380083762.db2.gz MELVLEWEXKBOAE-ZBFHGGJFSA-N 2 0 328.457 -0.291 20 0 EBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCCCC[NH+]1CCOCC1 ZINC000354704619 380085737 /nfs/dbraw/zinc/08/57/37/380085737.db2.gz IBOKNLNVNWMHMX-CQSZACIVSA-N 2 0 326.441 -0.527 20 0 EBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCCCC[NH+]1CCOCC1 ZINC000354704612 380086068 /nfs/dbraw/zinc/08/60/68/380086068.db2.gz IBOKNLNVNWMHMX-AWEZNQCLSA-N 2 0 326.441 -0.527 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354706181 380086322 /nfs/dbraw/zinc/08/63/22/380086322.db2.gz HNONCJGTXGLHAC-KGLIPLIRSA-N 2 0 326.441 -0.528 20 0 EBADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@]2(C)C[NH2+]CCO2)cc1 ZINC000638106911 380145669 /nfs/dbraw/zinc/14/56/69/380145669.db2.gz FQKMTFDOTMJVMR-SFHVURJKSA-N 2 0 348.447 -0.027 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000355134639 380147801 /nfs/dbraw/zinc/14/78/01/380147801.db2.gz NMSQXIWZQRJUSP-ZDUSSCGKSA-N 2 0 326.441 -0.576 20 0 EBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000638088430 380113317 /nfs/dbraw/zinc/11/33/17/380113317.db2.gz CQXYZVRCXBZVCZ-WWGRRREGSA-N 2 0 326.441 -0.543 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638098172 380132484 /nfs/dbraw/zinc/13/24/84/380132484.db2.gz KCALOEDJLQSDAK-MRXNPFEDSA-N 2 0 326.441 -0.623 20 0 EBADRP [NH3+]C[C@@]1(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCCOC1 ZINC000638099274 380133486 /nfs/dbraw/zinc/13/34/86/380133486.db2.gz RPSLPTYYZMYWJK-KRWDZBQOSA-N 2 0 338.452 -0.492 20 0 EBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638133687 380192691 /nfs/dbraw/zinc/19/26/91/380192691.db2.gz WLXPBNZDTOSXKI-DZGCQCFKSA-N 2 0 340.468 -0.155 20 0 EBADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCCN1CC[NH+](C)CC1 ZINC000638135505 380194290 /nfs/dbraw/zinc/19/42/90/380194290.db2.gz CAVOWFWYOUSBOS-QGZVFWFLSA-N 2 0 333.480 -0.191 20 0 EBADRP Cc1nn(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(=O)o1 ZINC000639818705 380208160 /nfs/dbraw/zinc/20/81/60/380208160.db2.gz BUYMMDZCXYOHNK-UHFFFAOYSA-N 2 0 327.429 -0.123 20 0 EBADRP C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)N1CCNCC1=O ZINC000638269997 380325182 /nfs/dbraw/zinc/32/51/82/380325182.db2.gz CXYDDFFQCMJVDA-OAHLLOKOSA-N 2 0 341.500 -0.461 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)C1 ZINC000555731970 380367371 /nfs/dbraw/zinc/36/73/71/380367371.db2.gz WHZFUYAEQPLZMC-HNNXBMFYSA-N 2 0 342.484 -0.131 20 0 EBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362567533 380411350 /nfs/dbraw/zinc/41/13/50/380411350.db2.gz INXRBPZGYQXCLW-QWHCGFSZSA-N 2 0 348.451 -0.196 20 0 EBADRP CC(C)[C@H](C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[NH+](C)C ZINC000638480838 380484702 /nfs/dbraw/zinc/48/47/02/380484702.db2.gz BEFFTXGIUSWBIE-CQSZACIVSA-N 2 0 325.457 -0.258 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H](CO)Cc2ccc(F)cc2)CC1 ZINC000566974265 380495716 /nfs/dbraw/zinc/49/57/16/380495716.db2.gz WZSCMDZSOLCRCZ-SJORKVTESA-N 2 0 325.428 -0.073 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCOCC[NH2+]C)CC1=O ZINC000638578851 380520658 /nfs/dbraw/zinc/52/06/58/380520658.db2.gz SBTZGCZOQNWIDY-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[N@H+](CCO)CCNC(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000368504487 380510772 /nfs/dbraw/zinc/51/07/72/380510772.db2.gz VOUNSSLTRJEKIO-HNNXBMFYSA-N 2 0 341.500 -0.232 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000340479768 380512512 /nfs/dbraw/zinc/51/25/12/380512512.db2.gz NAHSZBXSEJEHBE-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP COCC[N@H+](C)CCNC(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000363221364 380464688 /nfs/dbraw/zinc/46/46/88/380464688.db2.gz PXFMIDYUKLVWMW-INIZCTEOSA-N 2 0 341.500 -0.014 20 0 EBADRP C[C@H]1C[C@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000340356490 380473292 /nfs/dbraw/zinc/47/32/92/380473292.db2.gz VTXOLEPKDXLOKI-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000340362431 380475072 /nfs/dbraw/zinc/47/50/72/380475072.db2.gz USULDPQZASTOKT-AWEZNQCLSA-N 2 0 338.452 -0.432 20 0 EBADRP O=C([C@H]1C[C@]12CCC[NH2+]C2)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638481353 380482864 /nfs/dbraw/zinc/48/28/64/380482864.db2.gz GYPWECSKRBPMHH-PBHICJAKSA-N 2 0 335.452 -0.455 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000340506861 380522537 /nfs/dbraw/zinc/52/25/37/380522537.db2.gz LOTCMDAMJMEKMS-ZDUSSCGKSA-N 2 0 326.441 -0.719 20 0 EBADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000567806196 380544053 /nfs/dbraw/zinc/54/40/53/380544053.db2.gz VNPCBNWDKJTMEC-UONOGXRCSA-N 2 0 328.457 -0.345 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000340570064 380548064 /nfs/dbraw/zinc/54/80/64/380548064.db2.gz ALPACOGAVHNQAY-KGLIPLIRSA-N 2 0 340.468 -0.188 20 0 EBADRP CCCNC(=O)CNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369388518 380554072 /nfs/dbraw/zinc/55/40/72/380554072.db2.gz XVZMUTVSVWCCSD-ZDUSSCGKSA-N 2 0 325.457 -0.020 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCOCCC[NH3+])CC1=O ZINC000638660689 380565066 /nfs/dbraw/zinc/56/50/66/380565066.db2.gz IBNLZDWVEFJAMJ-CABCVRRESA-N 2 0 340.468 -0.199 20 0 EBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000568167307 380578773 /nfs/dbraw/zinc/57/87/73/380578773.db2.gz FVHHXQKWHWUTSA-FGTMMUONSA-N 2 0 342.528 -0.117 20 0 EBADRP C[C@H](CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000340793878 380632117 /nfs/dbraw/zinc/63/21/17/380632117.db2.gz JRZGUZKPXPQLOV-HUUCEWRRSA-N 2 0 341.500 -0.558 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000340794447 380632197 /nfs/dbraw/zinc/63/21/97/380632197.db2.gz HEUIIISNHDLWBA-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCOCC[NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000572751985 380643947 /nfs/dbraw/zinc/64/39/47/380643947.db2.gz XYGNYCJNJIFAAJ-ZDUSSCGKSA-N 2 0 335.404 -0.189 20 0 EBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC3[C@@H]4CCC[C@H]3CC([NH3+])C4)CCN2C1=O ZINC000568287553 380594075 /nfs/dbraw/zinc/59/40/75/380594075.db2.gz CNNRVVFXFVCCOH-DMFQKCBSSA-N 2 0 335.452 -0.154 20 0 EBADRP O=C(C(=O)N1CCNC[C@@H]1c1cccnc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000568381946 380597843 /nfs/dbraw/zinc/59/78/43/380597843.db2.gz ZMJCINOHYXWWGC-JKSUJKDBSA-N 2 0 343.431 -0.139 20 0 EBADRP [NH3+]CCC1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000568405292 380599978 /nfs/dbraw/zinc/59/99/78/380599978.db2.gz NZPPJQKMNTUAPI-UHFFFAOYSA-N 2 0 340.468 -0.198 20 0 EBADRP CCC[C@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+]1CCOC ZINC000568751877 380616017 /nfs/dbraw/zinc/61/60/17/380616017.db2.gz LOGPEOFSOFVYHV-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000573206592 380663364 /nfs/dbraw/zinc/66/33/64/380663364.db2.gz GKZCDXLKJXWXHK-CABCVRRESA-N 3 0 339.484 -0.497 20 0 EBADRP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000573347256 380669191 /nfs/dbraw/zinc/66/91/91/380669191.db2.gz HTKQSINACCDSQP-OAHLLOKOSA-N 2 0 338.452 -0.432 20 0 EBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000573562528 380678232 /nfs/dbraw/zinc/67/82/32/380678232.db2.gz NESOUCOBAKEZPF-ZDUSSCGKSA-N 2 0 332.408 -0.702 20 0 EBADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000573562527 380678480 /nfs/dbraw/zinc/67/84/80/380678480.db2.gz NESOUCOBAKEZPF-CYBMUJFWSA-N 2 0 332.408 -0.702 20 0 EBADRP O=C(C[C@]1(C(=O)N[C@@H]2CCC[NH2+]C2)CC[NH2+]C1)N[C@@H]1CCC[NH2+]C1 ZINC000372222093 380696620 /nfs/dbraw/zinc/69/66/20/380696620.db2.gz QMWZQRVZUDCXTF-CKEIUWERSA-N 3 0 337.468 -0.907 20 0 EBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@H]([NH3+])C2CCC2)c1 ZINC000574277186 380706592 /nfs/dbraw/zinc/70/65/92/380706592.db2.gz MNZJCYDYQMFPST-CYBMUJFWSA-N 2 0 326.422 -0.011 20 0 EBADRP CC(=O)N1CCN(C(=O)C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1 ZINC000574278016 380706659 /nfs/dbraw/zinc/70/66/59/380706659.db2.gz ZYPPAYMCRKISOQ-WBVHZDCISA-N 2 0 338.452 -0.495 20 0 EBADRP [NH3+][C@H]1C[C@H]2CN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)CCN2C1=O ZINC000576004071 380754494 /nfs/dbraw/zinc/75/44/94/380754494.db2.gz MAMYOGLYJGYFGQ-YHUYYLMFSA-N 2 0 343.431 -0.305 20 0 EBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000576040585 380756127 /nfs/dbraw/zinc/75/61/27/380756127.db2.gz LXIAQSIVHMWHMB-ZIAGYGMSSA-N 2 0 340.468 -0.201 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000343016544 380770248 /nfs/dbraw/zinc/77/02/48/380770248.db2.gz URHXOHVPKKMRQG-ZDUSSCGKSA-N 2 0 328.457 -0.330 20 0 EBADRP CC(C)[NH+](CCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])C(C)C ZINC000582350652 380720554 /nfs/dbraw/zinc/72/05/54/380720554.db2.gz LJDUFDXNNHEXHV-AWEZNQCLSA-N 2 0 327.473 -0.677 20 0 EBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)C[C@@H]3CSCC[NH2+]3)CC2)C1=O ZINC000638855910 380773560 /nfs/dbraw/zinc/77/35/60/380773560.db2.gz ILDGTPAAAMWATF-KGLIPLIRSA-N 2 0 340.493 -0.107 20 0 EBADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000577085869 380802249 /nfs/dbraw/zinc/80/22/49/380802249.db2.gz LTKWMLHHVBFQKN-ZDUSSCGKSA-N 2 0 326.441 -0.576 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000577084737 380802354 /nfs/dbraw/zinc/80/23/54/380802354.db2.gz FZKKEETUDZHNRA-KGLIPLIRSA-N 2 0 325.457 -0.922 20 0 EBADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NC3C[NH2+]C3)c2)CC1 ZINC000580629861 380805930 /nfs/dbraw/zinc/80/59/30/380805930.db2.gz HYCTVRUWCSNXSZ-UHFFFAOYSA-N 2 0 331.420 -0.540 20 0 EBADRP C[C@@H]1C[NH+](C[C@H](O)CNC[C@@H](O)C[NH+]2CCCCC2)C[C@@H](C)O1 ZINC000577179405 380809516 /nfs/dbraw/zinc/80/95/16/380809516.db2.gz WFPHWUFGIBDDCR-QBPKDAKJSA-N 2 0 329.485 -0.107 20 0 EBADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC[N@@H+]1CC(C)(C)O ZINC000577368225 380817796 /nfs/dbraw/zinc/81/77/96/380817796.db2.gz HXTBWCGVBZXWMD-KGLIPLIRSA-N 2 0 327.473 -0.623 20 0 EBADRP COCC[N@H+](C)CCNC(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000425957878 380875253 /nfs/dbraw/zinc/87/52/53/380875253.db2.gz KPCRLAYDGJAVHL-UHFFFAOYSA-N 2 0 329.445 -0.844 20 0 EBADRP CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000577875516 380850216 /nfs/dbraw/zinc/85/02/16/380850216.db2.gz IIXWCPFDTVCWAZ-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP CN(CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)S(C)(=O)=O ZINC000638988193 380856512 /nfs/dbraw/zinc/85/65/12/380856512.db2.gz UMMSYLBHNRNWLY-UHFFFAOYSA-N 2 0 327.410 -0.679 20 0 EBADRP C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H]1[NH3+] ZINC000417428941 380885500 /nfs/dbraw/zinc/88/55/00/380885500.db2.gz MDEHQPRFBQKODE-MCIONIFRSA-N 2 0 325.457 -0.082 20 0 EBADRP COCC[N@H+](C)CCNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000417443710 380889226 /nfs/dbraw/zinc/88/92/26/380889226.db2.gz ZQBBKBGJSCJAQD-AWEZNQCLSA-N 2 0 343.472 -0.406 20 0 EBADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000578206800 380911757 /nfs/dbraw/zinc/91/17/57/380911757.db2.gz ARKBOONMQGWJKG-ZDUSSCGKSA-N 2 0 326.441 -0.576 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)NC[C@@H]3C[NH2+]CCN3C)CC2)c1 ZINC000578970927 380960325 /nfs/dbraw/zinc/96/03/25/380960325.db2.gz HGESPRKMCFKPAN-AWEZNQCLSA-N 2 0 348.451 -0.175 20 0 EBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)[C@@H](C)C1 ZINC000376776764 380934361 /nfs/dbraw/zinc/93/43/61/380934361.db2.gz JBODDUMZQQLMLW-YHUYYLMFSA-N 2 0 340.468 -0.054 20 0 EBADRP CN1CC[C@@H]([NH+](C)CCOCC[N@@H+](C)[C@@H]2CCN(C)C2=O)C1=O ZINC000343734807 381013021 /nfs/dbraw/zinc/01/30/21/381013021.db2.gz FLKQXRSWTLZENO-ZIAGYGMSSA-N 2 0 326.441 -0.672 20 0 EBADRP COC(=O)CNC(=O)CC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343985489 381016373 /nfs/dbraw/zinc/01/63/73/381016373.db2.gz PQWAMWAOSLHPDK-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP COC(=O)C1CC[NH+](CCCNC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000579468639 380992528 /nfs/dbraw/zinc/99/25/28/380992528.db2.gz IWFQMAQPHFKFNG-AWEZNQCLSA-N 2 0 327.425 -0.244 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000377769626 380992953 /nfs/dbraw/zinc/99/29/53/380992953.db2.gz MMJCRLVGTVYOML-XHSDSOJGSA-N 2 0 340.468 -0.052 20 0 EBADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000582775172 381068827 /nfs/dbraw/zinc/06/88/27/381068827.db2.gz NBMXYZANKZZQET-CYBMUJFWSA-N 2 0 325.457 -0.162 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000581657485 381092812 /nfs/dbraw/zinc/09/28/12/381092812.db2.gz RFVGJIMKRHQXMG-BFHYXJOUSA-N 2 0 338.452 -0.088 20 0 EBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000642440184 381094950 /nfs/dbraw/zinc/09/49/50/381094950.db2.gz YDJLEFKGBLKVOL-MGPQQGTHSA-N 2 0 326.441 -0.448 20 0 EBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000581723906 381099410 /nfs/dbraw/zinc/09/94/10/381099410.db2.gz FARWNRVHMLKQGC-AWEZNQCLSA-N 2 0 338.456 -0.160 20 0 EBADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000582834539 381079208 /nfs/dbraw/zinc/07/92/08/381079208.db2.gz NFDASTIBVBNYQH-INIZCTEOSA-N 2 0 347.463 -0.110 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCn2c(=O)[nH]c3ccccc32)CC1 ZINC000584585559 381188486 /nfs/dbraw/zinc/18/84/86/381188486.db2.gz KGNNBOKKYCBUEV-CQSZACIVSA-N 2 0 333.436 -0.060 20 0 EBADRP C[C@@H](CO)[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000347231577 381190063 /nfs/dbraw/zinc/19/00/63/381190063.db2.gz NSCZRYSZWBFZFL-LSDHHAIUSA-N 2 0 340.468 -0.688 20 0 EBADRP CC(C)[C@@H]([NH3+])CNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000418405915 381214611 /nfs/dbraw/zinc/21/46/11/381214611.db2.gz LJFGZZLGMSGMHT-KGLIPLIRSA-N 2 0 325.457 -0.177 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000418759139 381261282 /nfs/dbraw/zinc/26/12/82/381261282.db2.gz FXXLDNYHIKUWOP-AWEZNQCLSA-N 2 0 341.456 -0.830 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000418497629 381244849 /nfs/dbraw/zinc/24/48/49/381244849.db2.gz KKTNAFQESNDKDK-AWEZNQCLSA-N 2 0 325.457 -0.081 20 0 EBADRP Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)[NH+](C)C)cc1 ZINC000418825692 381286610 /nfs/dbraw/zinc/28/66/10/381286610.db2.gz UMQHIWQJBATPOX-JKSUJKDBSA-N 2 0 348.447 -0.181 20 0 EBADRP CO[C@H]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCC2)[C@@H](C[NH3+])C1 ZINC000418833977 381288375 /nfs/dbraw/zinc/28/83/75/381288375.db2.gz LLWFZVNYQSJKMI-KGLIPLIRSA-N 2 0 340.468 -0.058 20 0 EBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000347968670 381304270 /nfs/dbraw/zinc/30/42/70/381304270.db2.gz OPDYIOLAPGFKRV-ZIAGYGMSSA-N 2 0 327.473 -0.805 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)[C@H](C)C[NH2+]1 ZINC000418877583 381325489 /nfs/dbraw/zinc/32/54/89/381325489.db2.gz JOPWTKZOWIXTSB-RBSFLKMASA-N 2 0 340.468 -0.188 20 0 EBADRP O=C(C(=O)N1CCN(c2cc[nH+]cc2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643478756 381328113 /nfs/dbraw/zinc/32/81/13/381328113.db2.gz BLNZQNKCXFSOJG-OKILXGFUSA-N 2 0 329.404 -0.592 20 0 EBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000643478967 381328373 /nfs/dbraw/zinc/32/83/73/381328373.db2.gz WDSHQJSWAZEITM-HIFRSBDPSA-N 2 0 347.419 -0.695 20 0 EBADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418882519 381331278 /nfs/dbraw/zinc/33/12/78/381331278.db2.gz ZBPFNOKIKKGDRQ-HOTGVXAUSA-N 2 0 348.447 -0.620 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000418927714 381341236 /nfs/dbraw/zinc/34/12/36/381341236.db2.gz SXFGJAHRXQHPFY-CABCVRRESA-N 2 0 340.468 -0.282 20 0 EBADRP [NH3+]CCN(CCO)C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418861546 381310793 /nfs/dbraw/zinc/31/07/93/381310793.db2.gz NHKVJWPPJLKIOP-OAHLLOKOSA-N 2 0 334.420 -0.843 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000418927715 381341623 /nfs/dbraw/zinc/34/16/23/381341623.db2.gz SXFGJAHRXQHPFY-GJZGRUSLSA-N 2 0 340.468 -0.282 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000418922815 381341683 /nfs/dbraw/zinc/34/16/83/381341683.db2.gz NCDVZJAVYPACPU-UONOGXRCSA-N 2 0 326.441 -0.687 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000418926493 381341712 /nfs/dbraw/zinc/34/17/12/381341712.db2.gz RKDZNDCMMYHTQY-QLFBSQMISA-N 2 0 340.468 -0.345 20 0 EBADRP [NH3+]CCNC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000418971092 381352173 /nfs/dbraw/zinc/35/21/73/381352173.db2.gz XGZXRWHXJODGMH-UHFFFAOYSA-N 2 0 334.420 -0.148 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419028023 381355771 /nfs/dbraw/zinc/35/57/71/381355771.db2.gz PRKYDZAYNWXUSR-QLFBSQMISA-N 2 0 342.484 -0.179 20 0 EBADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419033170 381358194 /nfs/dbraw/zinc/35/81/94/381358194.db2.gz XZQLGNZNHHCHBY-BARDWOONSA-N 2 0 340.468 -0.345 20 0 EBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419033203 381358547 /nfs/dbraw/zinc/35/85/47/381358547.db2.gz YDXOKIVXZNWOKA-RDBSUJKOSA-N 2 0 326.441 -0.591 20 0 EBADRP CC1CC[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000419008635 381361854 /nfs/dbraw/zinc/36/18/54/381361854.db2.gz VZMOTFLNMAZJAC-HNNXBMFYSA-N 2 0 340.468 -0.281 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000419242816 381408121 /nfs/dbraw/zinc/40/81/21/381408121.db2.gz RPHQBUMCTCPTHO-NWDGAFQWSA-N 2 0 326.441 -0.184 20 0 EBADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419117953 381380448 /nfs/dbraw/zinc/38/04/48/381380448.db2.gz IBDPFJKTIWEPIG-HNNXBMFYSA-N 2 0 339.484 -0.612 20 0 EBADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)CC(C)C ZINC000419128000 381388348 /nfs/dbraw/zinc/38/83/48/381388348.db2.gz UNFAPLLLSBMHRV-GJZGRUSLSA-N 2 0 342.484 -0.036 20 0 EBADRP [NH3+]CCCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419169827 381390724 /nfs/dbraw/zinc/39/07/24/381390724.db2.gz VMTDCMLTOOSKLQ-MRXNPFEDSA-N 2 0 348.447 -0.141 20 0 EBADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419167602 381391679 /nfs/dbraw/zinc/39/16/79/381391679.db2.gz IZWYSYRFQUDFRG-LSDHHAIUSA-N 2 0 340.468 -0.138 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000419134416 381393876 /nfs/dbraw/zinc/39/38/76/381393876.db2.gz HMYLZBGTLVCYHA-HUUCEWRRSA-N 2 0 340.468 -0.343 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000419539072 381450380 /nfs/dbraw/zinc/45/03/80/381450380.db2.gz PLFVOHYUJGODKH-GJZGRUSLSA-N 2 0 340.468 -0.281 20 0 EBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000419407257 381428530 /nfs/dbraw/zinc/42/85/30/381428530.db2.gz JYHVRAZQHGLZSF-KFWWJZLASA-N 2 0 340.468 -0.343 20 0 EBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000419479962 381445832 /nfs/dbraw/zinc/44/58/32/381445832.db2.gz MMIQYKLNACGWAK-OAHLLOKOSA-N 2 0 340.468 -0.185 20 0 EBADRP C[C@@H]1CCCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)[C@H]1C[NH3+] ZINC000419485103 381446380 /nfs/dbraw/zinc/44/63/80/381446380.db2.gz UYMGQRXAYVKMHD-CABCVRRESA-N 2 0 340.468 -0.199 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000419532022 381447652 /nfs/dbraw/zinc/44/76/52/381447652.db2.gz GOCKDDJEUBKBSH-RBSFLKMASA-N 2 0 340.468 -0.201 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000419679954 381481019 /nfs/dbraw/zinc/48/10/19/381481019.db2.gz QICHPUDBNIPCOJ-RRFJBIMHSA-N 2 0 340.468 -0.343 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)C1 ZINC000419723961 381481266 /nfs/dbraw/zinc/48/12/66/381481266.db2.gz GLJLLZJJRRFOOW-INIZCTEOSA-N 2 0 348.447 -0.189 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000419670089 381468292 /nfs/dbraw/zinc/46/82/92/381468292.db2.gz CILKYAPPSQRKDV-KBPBESRZSA-N 2 0 328.457 -0.343 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419842023 381503472 /nfs/dbraw/zinc/50/34/72/381503472.db2.gz LCCJSOREBLBHHB-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000419733315 381491466 /nfs/dbraw/zinc/49/14/66/381491466.db2.gz UCIDNFUYEGXCQQ-CQSZACIVSA-N 2 0 340.468 -0.009 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000349890313 381492419 /nfs/dbraw/zinc/49/24/19/381492419.db2.gz DAOMLDBCMXAFMZ-HUUCEWRRSA-N 2 0 327.473 -0.358 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000419837269 381501027 /nfs/dbraw/zinc/50/10/27/381501027.db2.gz WLEAJOAQFZRMBM-LSDHHAIUSA-N 2 0 339.484 -0.804 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000419836856 381502045 /nfs/dbraw/zinc/50/20/45/381502045.db2.gz CIYQMIQVPCOIQF-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000420098648 381540166 /nfs/dbraw/zinc/54/01/66/381540166.db2.gz AZJZKBYFRJQVNS-HUUCEWRRSA-N 2 0 342.484 -0.083 20 0 EBADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000420115581 381542658 /nfs/dbraw/zinc/54/26/58/381542658.db2.gz KKMVQAFUKKNCEV-ZIAGYGMSSA-N 2 0 328.457 -0.425 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000420157767 381550382 /nfs/dbraw/zinc/55/03/82/381550382.db2.gz GQOSPAKIJSMQKV-ZIAGYGMSSA-N 2 0 340.468 -0.330 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)c1 ZINC000419873118 381521847 /nfs/dbraw/zinc/52/18/47/381521847.db2.gz UXLDITQVUUFPEC-AWEZNQCLSA-N 2 0 347.419 -0.408 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000419992599 381527633 /nfs/dbraw/zinc/52/76/33/381527633.db2.gz FOGKJRXHHXNQJN-CQSZACIVSA-N 2 0 328.457 -0.471 20 0 EBADRP CNC(=O)CN1CCCN(C(=O)[C@H](C)N2CCSCC2)CC1 ZINC000371015864 381573251 /nfs/dbraw/zinc/57/32/51/381573251.db2.gz BFKROLWXAGSJAD-ZDUSSCGKSA-N 2 0 328.482 -0.296 20 0 EBADRP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420304727 381577930 /nfs/dbraw/zinc/57/79/30/381577930.db2.gz FOVOSOXXWFYAFO-GHMZBOCLSA-N 2 0 337.424 -0.702 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)C[C@H](C)N1CCO ZINC000563893464 381557699 /nfs/dbraw/zinc/55/76/99/381557699.db2.gz AMKFXOBQQASWRY-OKILXGFUSA-N 2 0 340.468 -0.513 20 0 EBADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420189272 381564829 /nfs/dbraw/zinc/56/48/29/381564829.db2.gz NYVVMWNZJSZQTQ-QLFBSQMISA-N 2 0 340.468 -0.140 20 0 EBADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000420192455 381566367 /nfs/dbraw/zinc/56/63/67/381566367.db2.gz BIALDHGYLXUDQQ-GJZGRUSLSA-N 2 0 338.452 -0.432 20 0 EBADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000420204846 381568378 /nfs/dbraw/zinc/56/83/78/381568378.db2.gz DCSIJMDOWWXFGV-GJZGRUSLSA-N 2 0 338.452 -0.432 20 0 EBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420202053 381568990 /nfs/dbraw/zinc/56/89/90/381568990.db2.gz PBDXXWJRWJYOGL-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)C[NH+]1CCCCC1 ZINC000420204712 381569354 /nfs/dbraw/zinc/56/93/54/381569354.db2.gz SRJMFLSYNQFSJN-KBPBESRZSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CCO1 ZINC000643483370 381609425 /nfs/dbraw/zinc/60/94/25/381609425.db2.gz YWMNIBVNDJLCQC-DZGCQCFKSA-N 2 0 338.452 -0.352 20 0 EBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000571985860 381632644 /nfs/dbraw/zinc/63/26/44/381632644.db2.gz DPXMBINMFSEZNS-ZIAGYGMSSA-N 2 0 325.457 -0.922 20 0 EBADRP CN(C)S(=O)(=O)CC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000351892656 381705513 /nfs/dbraw/zinc/70/55/13/381705513.db2.gz SDEPRRHHIWTOJG-UHFFFAOYSA-N 2 0 334.486 -0.732 20 0 EBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)CC1 ZINC000332029818 381741566 /nfs/dbraw/zinc/74/15/66/381741566.db2.gz SMJNBGOEBXMWEY-HNNXBMFYSA-N 2 0 339.484 -0.709 20 0 EBADRP [NH3+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000332268184 381772516 /nfs/dbraw/zinc/77/25/16/381772516.db2.gz IDPRFASZEJZAPD-HNNXBMFYSA-N 2 0 338.452 -0.493 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612995922 381883921 /nfs/dbraw/zinc/88/39/21/381883921.db2.gz MYCMHFFWUJNVLD-ZDUSSCGKSA-N 2 0 325.457 -0.210 20 0 EBADRP CCNC(=O)N1CC[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000120525329 381861706 /nfs/dbraw/zinc/86/17/06/381861706.db2.gz URKUBEYVLKKHCK-AWEZNQCLSA-N 2 0 342.488 -0.075 20 0 EBADRP CN(C[C@H](O)CN1CCOCC1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000333198617 381897271 /nfs/dbraw/zinc/89/72/71/381897271.db2.gz YAXOPGIAJWKDGB-XHSDSOJGSA-N 2 0 340.468 -0.052 20 0 EBADRP CN1CCO[C@@H]2CN(C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C[C@@H]21 ZINC000333287393 381903460 /nfs/dbraw/zinc/90/34/60/381903460.db2.gz KGZMSSSUXGKBSZ-LSDHHAIUSA-N 2 0 339.484 -0.263 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)NCC2([NH3+])CCOCC2)CCCCC1 ZINC000627397613 381930237 /nfs/dbraw/zinc/93/02/37/381930237.db2.gz RPSMZYVNEPOXDZ-UHFFFAOYSA-N 2 0 340.468 -0.009 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000643509794 381928323 /nfs/dbraw/zinc/92/83/23/381928323.db2.gz USESBDUFNJRDKP-UHFFFAOYSA-N 3 0 327.473 -0.722 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643509771 381928507 /nfs/dbraw/zinc/92/85/07/381928507.db2.gz SCFMJUCNMPGQHS-HUUCEWRRSA-N 3 0 339.484 -0.851 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000626930471 381958250 /nfs/dbraw/zinc/95/82/50/381958250.db2.gz ANISQURASMMANO-UHFFFAOYSA-N 2 0 327.473 -0.181 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CCO1 ZINC000643530825 382046442 /nfs/dbraw/zinc/04/64/42/382046442.db2.gz YOPDUPIIPDZTKD-ZNMIVQPWSA-N 2 0 340.468 -0.106 20 0 EBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000643532479 382048208 /nfs/dbraw/zinc/04/82/08/382048208.db2.gz IPLHPTWMNPPKIK-KLHDSHLOSA-N 2 0 334.464 -0.003 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000629558986 382224107 /nfs/dbraw/zinc/22/41/07/382224107.db2.gz ORJSRHPCPRZAJX-CVEARBPZSA-N 2 0 326.485 -0.025 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000343014986 285009698 /nfs/dbraw/zinc/00/96/98/285009698.db2.gz LXMILXNAHXMWKK-ZFWWWQNUSA-N 2 0 340.468 -0.188 20 0 EBADRP CNC(=O)[C@@H]([NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C(C)C ZINC000183632909 154134821 /nfs/dbraw/zinc/13/48/21/154134821.db2.gz LYUYXLAWQXXFHY-ZBFHGGJFSA-N 2 0 342.484 -0.180 20 0 EBADRP CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261817690 154201349 /nfs/dbraw/zinc/20/13/49/154201349.db2.gz KACPHYDZCZPXNB-KBPBESRZSA-N 2 0 346.497 -0.494 20 0 EBADRP C[N@@H+](CC(=O)N1CC[NH2+]CC1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000262353431 154226267 /nfs/dbraw/zinc/22/62/67/154226267.db2.gz VKPIPFBDLJOARF-CYBMUJFWSA-N 2 0 332.470 -0.978 20 0 EBADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262409762 154230300 /nfs/dbraw/zinc/23/03/00/154230300.db2.gz PCWCBWUNCZPBRA-IRXDYDNUSA-N 2 0 332.448 -0.357 20 0 EBADRP CC[C@H](NC(=O)CNC(=O)C[NH3+])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000262420365 154230466 /nfs/dbraw/zinc/23/04/66/154230466.db2.gz QWKPIMRLVFFDSV-JKSUJKDBSA-N 2 0 348.447 -0.143 20 0 EBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C[C@@H]2C[NH2+]CCO2)c1 ZINC000269239309 154439482 /nfs/dbraw/zinc/43/94/82/154439482.db2.gz IJXVLWDCDDUEIA-MRXNPFEDSA-N 2 0 348.447 -0.027 20 0 EBADRP C[NH+](C)C[C@](C)(O)CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000337619606 155589294 /nfs/dbraw/zinc/58/92/94/155589294.db2.gz AYNOTNMUSUWZJO-XJKSGUPXSA-N 2 0 343.472 -0.814 20 0 EBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000340268197 155849561 /nfs/dbraw/zinc/84/95/61/155849561.db2.gz QBLUZDUURRVTRN-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP CN(CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)S(C)(=O)=O ZINC000342091774 156008038 /nfs/dbraw/zinc/00/80/38/156008038.db2.gz CPMLYAVTFLIRCH-MJBXVCDLSA-N 2 0 346.497 -0.557 20 0 EBADRP COC(=O)CC[C@H]([NH3+])C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000342702806 156052973 /nfs/dbraw/zinc/05/29/73/156052973.db2.gz ZRRRZRXYSJPYLV-AWEZNQCLSA-N 2 0 328.457 -0.343 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+](CCOC)C1)C(C)C ZINC000343884529 156176980 /nfs/dbraw/zinc/17/69/80/156176980.db2.gz HCEGVNKQTPGQSM-CQSZACIVSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)C1 ZINC000343888830 156177160 /nfs/dbraw/zinc/17/71/60/156177160.db2.gz KVOZNIIZJDGCJL-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000343880920 156177731 /nfs/dbraw/zinc/17/77/31/156177731.db2.gz CCFKIANNAXBESJ-HZSPNIEDSA-N 2 0 338.452 -0.435 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000343880922 156178352 /nfs/dbraw/zinc/17/83/52/156178352.db2.gz CCFKIANNAXBESJ-MELADBBJSA-N 2 0 338.452 -0.435 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000343882675 156178730 /nfs/dbraw/zinc/17/87/30/156178730.db2.gz FGMXTKSAHFHJNP-OAHLLOKOSA-N 2 0 340.468 -0.377 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000343892820 156180978 /nfs/dbraw/zinc/18/09/78/156180978.db2.gz PKLKGMAWKBMNET-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(CC[NH+](C)C)CC2)CC1=O ZINC000344419165 156224443 /nfs/dbraw/zinc/22/44/43/156224443.db2.gz NKSPNLXIZYMVNF-HNNXBMFYSA-N 2 0 339.484 -0.898 20 0 EBADRP O=C(NCC1CC[NH+](CCO)CC1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000344634758 156250107 /nfs/dbraw/zinc/25/01/07/156250107.db2.gz CCIJBSZSRMYVIO-HNNXBMFYSA-N 2 0 338.452 -0.887 20 0 EBADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)NCC2CC[NH+](CCO)CC2)C1 ZINC000344637713 156250218 /nfs/dbraw/zinc/25/02/18/156250218.db2.gz JHWRVBSEAFVAGF-HNNXBMFYSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[NH+]1CCN(CC(=O)NC[C@H](C)N2CC[NH+](CC)CC2)CC1 ZINC000346135387 156387557 /nfs/dbraw/zinc/38/75/57/156387557.db2.gz GKSRUZCKLFWMRY-INIZCTEOSA-N 2 0 325.501 -0.234 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000356950037 157107948 /nfs/dbraw/zinc/10/79/48/157107948.db2.gz VKQQABVBHKMBPX-NSHDSACASA-N 2 0 327.429 -0.780 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000357242201 157129588 /nfs/dbraw/zinc/12/95/88/157129588.db2.gz MDAZEPUHQPNLKB-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP 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C[C@H](CNC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656039726 420869497 /nfs/dbraw/zinc/86/94/97/420869497.db2.gz DVURZUCNBLZSCQ-NIFZNCRKSA-N 2 0 340.468 -0.204 20 0 EBADRP C[C@H](CNC(=O)C(=O)N(C)C1CC[NH2+]CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656042027 420869558 /nfs/dbraw/zinc/86/95/58/420869558.db2.gz UGZFUMNQEOLSKC-MCIONIFRSA-N 2 0 340.468 -0.189 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656042014 420869645 /nfs/dbraw/zinc/86/96/45/420869645.db2.gz TUXIVRVBPYVXAL-UPJWGTAASA-N 2 0 326.441 -0.450 20 0 EBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656080961 420876142 /nfs/dbraw/zinc/87/61/42/420876142.db2.gz MRLYRFWBBBRSHM-UONOGXRCSA-N 2 0 326.441 -0.938 20 0 EBADRP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656102995 420879179 /nfs/dbraw/zinc/87/91/79/420879179.db2.gz SIZRRMTUZUQOFW-LSDHHAIUSA-N 2 0 338.452 -0.888 20 0 EBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656301536 420885694 /nfs/dbraw/zinc/88/56/94/420885694.db2.gz AGDZOUWESHUSCZ-MELADBBJSA-N 2 0 326.441 -0.890 20 0 EBADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656301535 420886212 /nfs/dbraw/zinc/88/62/12/420886212.db2.gz AGDZOUWESHUSCZ-HZSPNIEDSA-N 2 0 326.441 -0.890 20 0 EBADRP Cc1cc(C(N)=O)cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c1 ZINC000658381673 420954929 /nfs/dbraw/zinc/95/49/29/420954929.db2.gz ZCOIUTCEWOEXEC-UHFFFAOYSA-N 2 0 328.438 -0.218 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000658458450 420956674 /nfs/dbraw/zinc/95/66/74/420956674.db2.gz ZXUQMAGZBXHZDV-AWEZNQCLSA-N 2 0 328.457 -0.424 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cn1 ZINC000659109855 420991614 /nfs/dbraw/zinc/99/16/14/420991614.db2.gz PKYCRQRJPIEDHJ-VXGBXAGGSA-N 2 0 326.376 -0.719 20 0 EBADRP [NH3+]C1(CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CCCC1 ZINC000659457359 421000640 /nfs/dbraw/zinc/00/06/40/421000640.db2.gz ZWXIOMROBWFECE-HNNXBMFYSA-N 2 0 339.484 -0.036 20 0 EBADRP O=C(NCC12CC(C1)C[NH2+]2)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000659455687 421000847 /nfs/dbraw/zinc/00/08/47/421000847.db2.gz CBWIGECYOFKWAF-ISXOHVOVSA-N 2 0 337.468 -0.556 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659617313 421007257 /nfs/dbraw/zinc/00/72/57/421007257.db2.gz UIPLOHVRERBGBQ-UHFFFAOYSA-N 2 0 335.452 -0.312 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000659677065 421012876 /nfs/dbraw/zinc/01/28/76/421012876.db2.gz MOXQOEUZSYKSFP-BBRMVZONSA-N 2 0 348.447 -0.407 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000659704990 421016706 /nfs/dbraw/zinc/01/67/06/421016706.db2.gz UVNUVQSHRSOBGQ-ZDUSSCGKSA-N 2 0 326.441 -0.528 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659698719 421017220 /nfs/dbraw/zinc/01/72/20/421017220.db2.gz KLYLHGVUDSGAAF-KGLIPLIRSA-N 2 0 328.457 -0.343 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659697731 421017298 /nfs/dbraw/zinc/01/72/98/421017298.db2.gz DELCILDUBZPEPH-UHFFFAOYSA-N 2 0 339.484 -0.482 20 0 EBADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000659713020 421018585 /nfs/dbraw/zinc/01/85/85/421018585.db2.gz AAUZUNXDPVMEIU-HUUCEWRRSA-N 2 0 338.452 -0.386 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CCO1 ZINC000659716330 421020002 /nfs/dbraw/zinc/02/00/02/421020002.db2.gz ZGQBFBOTWZCAQI-KGLIPLIRSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000659720910 421020708 /nfs/dbraw/zinc/02/07/08/421020708.db2.gz BRGJUIWQMJBDKR-ILXRZTDVSA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCCC2(C[NH3+])CC2)CCO1 ZINC000659729986 421022759 /nfs/dbraw/zinc/02/27/59/421022759.db2.gz WLASARDGDGHYHL-CQSZACIVSA-N 2 0 340.468 -0.199 20 0 EBADRP 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/nfs/dbraw/zinc/14/82/53/421148253.db2.gz YOQQHGQKSWGUKC-OAHLLOKOSA-N 2 0 328.505 -0.585 20 0 EBADRP C[NH+](C)CCOCCNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664732394 421161206 /nfs/dbraw/zinc/16/12/06/421161206.db2.gz WKFXXKDRNUJJSO-OAHLLOKOSA-N 2 0 328.457 -0.195 20 0 EBADRP C[C@@H]1CN(C)CCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427237017 421178127 /nfs/dbraw/zinc/17/81/27/421178127.db2.gz MHTONPBJRGNTEL-CYBMUJFWSA-N 2 0 348.451 0.251 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000446780216 421192879 /nfs/dbraw/zinc/19/28/79/421192879.db2.gz HUUSZIMIYOTPNL-LBPRGKRZSA-N 2 0 334.424 -0.264 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000369780519 421195362 /nfs/dbraw/zinc/19/53/62/421195362.db2.gz RELRNOAQFPULNX-ZIAGYGMSSA-N 2 0 336.440 0.429 20 0 EBADRP C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[N@H+](C)C1CC1 ZINC000355419619 421197929 /nfs/dbraw/zinc/19/79/29/421197929.db2.gz CURZQOBMCBPKSN-GFCCVEGCSA-N 2 0 336.440 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ZINC000900641020 582776019 /nfs/dbraw/zinc/77/60/19/582776019.db2.gz IBGFVTFIFUNNPW-PBHICJAKSA-N 2 0 340.468 -0.500 20 0 EBADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900696077 582777573 /nfs/dbraw/zinc/77/75/73/582777573.db2.gz YBJZPSLUNRQYRQ-WBVHZDCISA-N 2 0 326.485 -0.169 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CN1CCNC(=O)C1 ZINC000900683748 582778831 /nfs/dbraw/zinc/77/88/31/582778831.db2.gz QOXDOZVRSAUYHZ-UHFFFAOYSA-N 2 0 327.473 -0.850 20 0 EBADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000901068923 582789531 /nfs/dbraw/zinc/78/95/31/582789531.db2.gz VHAJHEFKKKSOLV-LMMKCTJWSA-N 2 0 347.459 -0.023 20 0 EBADRP [NH3+][C@@H]1CN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC[C@H]1C(F)(F)F ZINC000903581215 582811803 /nfs/dbraw/zinc/81/18/03/582811803.db2.gz BODHCLNEBKUJFJ-IVZWLZJFSA-N 2 0 331.360 -0.484 20 0 EBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=S)NCC[NH+](C)C)CC1 ZINC000731489850 582837289 /nfs/dbraw/zinc/83/72/89/582837289.db2.gz 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C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000817955343 583731325 /nfs/dbraw/zinc/73/13/25/583731325.db2.gz WBPCIWWEWWMKMA-KRWDZBQOSA-N 3 0 339.484 -0.707 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[NH+]1CCCCC1 ZINC000842015760 584056334 /nfs/dbraw/zinc/05/63/34/584056334.db2.gz MYLNWCVMVQXREU-UONOGXRCSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)[C@H]1C[NH3+] ZINC000842165381 584059023 /nfs/dbraw/zinc/05/90/23/584059023.db2.gz VVJAYQZVQOZAFY-BARDWOONSA-N 2 0 338.452 -0.448 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CCSC1 ZINC000842190775 584060324 /nfs/dbraw/zinc/06/03/24/584060324.db2.gz IOAYJNYZSKWBNA-CVEARBPZSA-N 2 0 340.493 -0.106 20 0 EBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)C[C@H]([NH3+])C2CC2)c1 ZINC000843323283 584075619 /nfs/dbraw/zinc/07/56/19/584075619.db2.gz UHYBGLIKTQOBSH-ZDUSSCGKSA-N 2 0 326.422 -0.011 20 0 EBADRP [NH3+]CC(=O)NCC(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000843333114 584075884 /nfs/dbraw/zinc/07/58/84/584075884.db2.gz VNMSUEHOLKRRJZ-CYBMUJFWSA-N 2 0 334.376 -0.391 20 0 EBADRP COCCS(=O)(=O)CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000843346924 584076435 /nfs/dbraw/zinc/07/64/35/584076435.db2.gz LEKCLWMSPGACAY-ZDUSSCGKSA-N 2 0 335.470 -0.775 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@H]1C[NH3+] ZINC000846331168 584124684 /nfs/dbraw/zinc/12/46/84/584124684.db2.gz OXFODTLXUCNXDK-KBUPBQIOSA-N 2 0 340.468 -0.202 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCS(=O)(=O)N1CCOCC1 ZINC000849073869 584165772 /nfs/dbraw/zinc/16/57/72/584165772.db2.gz KABYQUPXECGRQT-ZDUSSCGKSA-N 2 0 347.485 -0.753 20 0 EBADRP [NH2+]=C(NCCCN1CCOCC1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000849113512 584165994 /nfs/dbraw/zinc/16/59/94/584165994.db2.gz QDEYJRFPFBUICH-HNNXBMFYSA-N 2 0 327.473 -0.331 20 0 EBADRP [NH2+]=C(NC[C@H]1CCC[N@H+]1CCCO)N1CCN(c2ncccn2)CC1 ZINC000849113375 584166115 /nfs/dbraw/zinc/16/61/15/584166115.db2.gz NLNPHBJPVMJSFI-OAHLLOKOSA-N 2 0 347.467 -0.030 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000851669621 584197148 /nfs/dbraw/zinc/19/71/48/584197148.db2.gz ZDFLCAKRLGSAGJ-NSHDSACASA-N 2 0 335.399 -0.355 20 0 EBADRP [NH3+]C[C@@H]1CC(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)=NO1 ZINC000852873395 584218467 /nfs/dbraw/zinc/21/84/67/584218467.db2.gz UVABQAKPECRWHW-HNNXBMFYSA-N 3 0 346.435 -0.187 20 0 EBADRP [NH3+][C@@H](CNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)C1CC1 ZINC000861641971 584332276 /nfs/dbraw/zinc/33/22/76/584332276.db2.gz RSPHRLQHUQSWTP-MJBXVCDLSA-N 2 0 337.424 -0.310 20 0 EBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000861732213 584335810 /nfs/dbraw/zinc/33/58/10/584335810.db2.gz KKULBKNTMHJKQX-CZUORRHYSA-N 2 0 348.447 -0.325 20 0 EBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000861736738 584336174 /nfs/dbraw/zinc/33/61/74/584336174.db2.gz IZYZAEKSYHODCJ-GFCCVEGCSA-N 2 0 337.424 -0.556 20 0 EBADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000861743588 584336741 /nfs/dbraw/zinc/33/67/41/584336741.db2.gz BPTKQRCZSQLIOV-OLZOCXBDSA-N 2 0 326.441 -0.401 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861756361 584337765 /nfs/dbraw/zinc/33/77/65/584337765.db2.gz YDPVUGBRQBUFDW-MJBXVCDLSA-N 2 0 336.436 -0.633 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000861767383 584338122 /nfs/dbraw/zinc/33/81/22/584338122.db2.gz QAIDTTWYRODKRA-ZDUSSCGKSA-N 2 0 326.441 -0.447 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000863749757 584376087 /nfs/dbraw/zinc/37/60/87/584376087.db2.gz AQCYIRIUPJTMEN-ZDUSSCGKSA-N 2 0 327.473 -0.724 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000863763407 584377504 /nfs/dbraw/zinc/37/75/04/584377504.db2.gz BZPLOBLELMGGNX-KGLIPLIRSA-N 2 0 328.457 -0.249 20 0 EBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000863772065 584378238 /nfs/dbraw/zinc/37/82/38/584378238.db2.gz FGALSVQFMSNBOJ-CQSZACIVSA-N 2 0 340.468 -0.105 20 0 EBADRP C[NH+](C)C[C@@H]1CN(c2ncccc2S(N)(=O)=O)C[C@H]1C[NH+](C)C ZINC000866012720 584398002 /nfs/dbraw/zinc/39/80/02/584398002.db2.gz OVVUJQYZAATYRN-CHWSQXEVSA-N 2 0 341.481 -0.095 20 0 EBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000866748458 584405502 /nfs/dbraw/zinc/40/55/02/584405502.db2.gz RDWLMRFTEMGSEU-KGLIPLIRSA-N 2 0 332.470 -0.632 20 0 EBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000866763686 584405989 /nfs/dbraw/zinc/40/59/89/584405989.db2.gz HIEQKCGISPDZTN-UKRRQHHQSA-N 2 0 325.434 -0.219 20 0 EBADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000866774251 584406334 /nfs/dbraw/zinc/40/63/34/584406334.db2.gz JTHLQZFVGPQJBB-QPSCCSFWSA-N 2 0 347.481 -0.335 20 0 EBADRP C[C@@H](O)CCN(C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867489326 584409260 /nfs/dbraw/zinc/40/92/60/584409260.db2.gz KBEWZDFIVQZJOM-RBSFLKMASA-N 2 0 342.484 -0.587 20 0 EBADRP Cc1onc(N)c1S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867591038 584412129 /nfs/dbraw/zinc/41/21/29/584412129.db2.gz XTXDRGBEHJXQIH-VXGBXAGGSA-N 2 0 345.469 -0.075 20 0 EBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000868402562 584428446 /nfs/dbraw/zinc/42/84/46/584428446.db2.gz MGKHBWWAPHSCIA-GBJTYRQASA-N 3 0 339.484 -0.868 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)CC[C@@H]21 ZINC000868410926 584428856 /nfs/dbraw/zinc/42/88/56/584428856.db2.gz QNJQHFVXZHAKHZ-OAGGEKHMSA-N 2 0 349.479 -0.955 20 0 EBADRP O=C(C[C@H]1CSCC[NH2+]1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870999814 584450871 /nfs/dbraw/zinc/45/08/71/584450871.db2.gz PYHGTNMDDNCGPN-LOWDOPEQSA-N 2 0 340.449 -0.525 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872190005 584459021 /nfs/dbraw/zinc/45/90/21/584459021.db2.gz LJNVJQKBMYQWAL-XJKSGUPXSA-N 2 0 326.441 -0.909 20 0 EBADRP C[NH+]1CCC(NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000874431965 584482451 /nfs/dbraw/zinc/48/24/51/584482451.db2.gz DXYQYTYUYGHYEA-MCIONIFRSA-N 2 0 337.424 -0.343 20 0 EBADRP CN1CCN(C(=O)CCNC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000875068894 584489025 /nfs/dbraw/zinc/48/90/25/584489025.db2.gz QWDAXNXFQYLESE-HUUCEWRRSA-N 2 0 337.468 -0.114 20 0 EBADRP COC[C@@H](C)CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875130642 584490131 /nfs/dbraw/zinc/49/01/31/584490131.db2.gz QIMNHICVPFTEOE-RRFJBIMHSA-N 2 0 342.484 -0.417 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000875263027 584495771 /nfs/dbraw/zinc/49/57/71/584495771.db2.gz JEDBWVYXWODALE-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP COC[C@]1(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C[NH2+]CCO1 ZINC000876723562 584521783 /nfs/dbraw/zinc/52/17/83/584521783.db2.gz FCWVRHAWULJYML-KRWDZBQOSA-N 2 0 341.452 -0.438 20 0 EBADRP COC[C@]1(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)C[NH2+]CCO1 ZINC000876773492 584523212 /nfs/dbraw/zinc/52/32/12/584523212.db2.gz SIQUEQCDWPONCW-HOCLYGCPSA-N 2 0 327.425 -0.828 20 0 EBADRP COC[C@]1(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C[NH2+]CCO1 ZINC000876981001 584527789 /nfs/dbraw/zinc/52/77/89/584527789.db2.gz LJAMOSQGZNLORV-ZBFHGGJFSA-N 2 0 329.441 -0.439 20 0 EBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)CO[C@H]3CCC[NH2+]C3)CC2)C1=O ZINC000877146188 584529469 /nfs/dbraw/zinc/52/94/69/584529469.db2.gz PTSMMFQLDHEKNJ-LSDHHAIUSA-N 2 0 338.452 -0.434 20 0 EBADRP OC[C@@H]1C[NH+](CC(C[N@@H+]2C[C@H](O)[C@H](CO)C2)C2CCCC2)C[C@@H]1O ZINC000878702593 584543823 /nfs/dbraw/zinc/54/38/23/584543823.db2.gz ICSLNYMOOLSNJY-XSLAGTTESA-N 2 0 342.480 -0.637 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC[NH2+]1 ZINC000883639054 584603979 /nfs/dbraw/zinc/60/39/79/584603979.db2.gz FAMWJGBLHVVEAU-KGLIPLIRSA-N 2 0 331.420 -0.061 20 0 EBADRP CC[NH+](CC)CCN(C(=O)[C@@H]([NH3+])CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000884305882 584621042 /nfs/dbraw/zinc/62/10/42/584621042.db2.gz LMODABCNDNQUIW-KGLIPLIRSA-N 2 0 349.497 -0.292 20 0 EBADRP CCO[C@@H]1CN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)C[C@H]1C[NH3+] ZINC000884386124 584622789 /nfs/dbraw/zinc/62/27/89/584622789.db2.gz GEKYHOYLTBXAEV-HUUCEWRRSA-N 2 0 333.436 -0.073 20 0 EBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000884516426 584625222 /nfs/dbraw/zinc/62/52/22/584625222.db2.gz KHXAATNYCUKQGC-QWHCGFSZSA-N 2 0 325.457 -0.923 20 0 EBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000884516812 584625569 /nfs/dbraw/zinc/62/55/69/584625569.db2.gz VGOARODCKAFVDV-NFAWXSAZSA-N 2 0 338.452 -0.306 20 0 EBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884598232 584629064 /nfs/dbraw/zinc/62/90/64/584629064.db2.gz WCXCTNCEQRPCEB-HUUCEWRRSA-N 2 0 338.452 -0.432 20 0 EBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000884603388 584629293 /nfs/dbraw/zinc/62/92/93/584629293.db2.gz IOYQPKSDRXKPKV-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000884604099 584629770 /nfs/dbraw/zinc/62/97/70/584629770.db2.gz ZSJXUMQYMJLOIL-HNNXBMFYSA-N 2 0 340.468 -0.057 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000884637590 584630665 /nfs/dbraw/zinc/63/06/65/584630665.db2.gz TWGCNJKNOHBHJC-CQSZACIVSA-N 2 0 328.457 -0.199 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH2+]CCC23CCC3)C1 ZINC000884642384 584631246 /nfs/dbraw/zinc/63/12/46/584631246.db2.gz HOAKGKJMCSWFFQ-AWEZNQCLSA-N 2 0 338.452 -0.432 20 0 EBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000884656614 584632290 /nfs/dbraw/zinc/63/22/90/584632290.db2.gz NJQSIBPSEZGIQB-OLZOCXBDSA-N 2 0 340.468 -0.060 20 0 EBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000884725696 584636374 /nfs/dbraw/zinc/63/63/74/584636374.db2.gz UBOWSSGRYKDHKN-CYBMUJFWSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000884814730 584638475 /nfs/dbraw/zinc/63/84/75/584638475.db2.gz GTTQUPOIDVAOPW-ZIAGYGMSSA-N 2 0 347.419 -0.777 20 0 EBADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N(CC[NH3+])CCO)C2)cc1 ZINC000884982490 584642140 /nfs/dbraw/zinc/64/21/40/584642140.db2.gz CLSWZGCZCLKRBU-MRXNPFEDSA-N 2 0 348.447 -0.535 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)CCO1 ZINC000884986221 584642274 /nfs/dbraw/zinc/64/22/74/584642274.db2.gz LDECAZANTNBBKS-XCCIUEIHSA-N 2 0 340.468 -0.060 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885198993 584645487 /nfs/dbraw/zinc/64/54/87/584645487.db2.gz KNBCFQHAABIFHB-CYBMUJFWSA-N 2 0 328.457 -0.201 20 0 EBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000885292527 584647404 /nfs/dbraw/zinc/64/74/04/584647404.db2.gz WEVNPITWAQVQRI-RYUDHWBXSA-N 2 0 332.395 -0.100 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)CC[NH2+]1 ZINC000887091870 584676347 /nfs/dbraw/zinc/67/63/47/584676347.db2.gz ZLBZZBFFRMPSJX-KGLIPLIRSA-N 2 0 331.420 -0.061 20 0 EBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)C1 ZINC000887091857 584676427 /nfs/dbraw/zinc/67/64/27/584676427.db2.gz ZCYWJBKCBYLCOG-KGLIPLIRSA-N 2 0 331.420 -0.061 20 0 EBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)C1 ZINC000887091858 584676433 /nfs/dbraw/zinc/67/64/33/584676433.db2.gz ZCYWJBKCBYLCOG-UONOGXRCSA-N 2 0 331.420 -0.061 20 0 EBADRP C[NH+](C)CCCN1C(=O)C[C@@H]([NH+]2CCC3(CC2)COCCO3)C1=O ZINC000887304872 584677388 /nfs/dbraw/zinc/67/73/88/584677388.db2.gz PTFBSJQIURYESH-CQSZACIVSA-N 2 0 339.436 -0.053 20 0 EBADRP CC[N@@H+]1CC[C@H]1CNC(=O)NC[C@@]1(CO)COCC2(CCC2)N1C ZINC000890057503 584691327 /nfs/dbraw/zinc/69/13/27/584691327.db2.gz HECHEQOEJBPQNT-WMLDXEAASA-N 2 0 340.468 -0.004 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+]C2(C(N)=O)CCCC2)C1 ZINC000081099936 649971331 /nfs/dbraw/zinc/97/13/31/649971331.db2.gz RMCOGHITLPEVIE-CQSZACIVSA-N 2 0 340.468 -0.153 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000446363053 650011101 /nfs/dbraw/zinc/01/11/01/650011101.db2.gz MCDOCRGGYALPDB-AWEZNQCLSA-N 2 0 348.451 -0.272 20 0 EBADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1 ZINC000628103741 650024850 /nfs/dbraw/zinc/02/48/50/650024850.db2.gz RMGJFVFHOWYROZ-HNNXBMFYSA-N 2 0 334.420 -0.131 20 0 EBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000904969022 650053132 /nfs/dbraw/zinc/05/31/32/650053132.db2.gz HFBXDYMFZNBJSR-UHFFFAOYSA-N 2 0 340.468 -0.105 20 0 EBADRP CN(C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)C1(C[NH3+])CCOCC1 ZINC000904971829 650053351 /nfs/dbraw/zinc/05/33/51/650053351.db2.gz RBFVUBXNQVKMHC-CQSZACIVSA-N 2 0 336.436 -0.575 20 0 EBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@]4(CC[NH2+]C4)C3)C[C@]2(C)C1 ZINC000904990662 650056050 /nfs/dbraw/zinc/05/60/50/650056050.db2.gz QPGQCEJBJLKGGH-FHLIZLRMSA-N 2 0 334.464 -0.001 20 0 EBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2CCOC)C1 ZINC000904992861 650056224 /nfs/dbraw/zinc/05/62/24/650056224.db2.gz CDCXCONWZDMMMN-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000904968339 650052790 /nfs/dbraw/zinc/05/27/90/650052790.db2.gz KXTMLHSEDQZFPE-UHFFFAOYSA-N 2 0 327.473 -0.946 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000905017811 650060385 /nfs/dbraw/zinc/06/03/85/650060385.db2.gz WSCBIOAYVOGYFX-YOEHRIQHSA-N 2 0 338.452 -0.623 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000905017809 650060557 /nfs/dbraw/zinc/06/05/57/650060557.db2.gz WSCBIOAYVOGYFX-WMLDXEAASA-N 2 0 338.452 -0.623 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000905017745 650060580 /nfs/dbraw/zinc/06/05/80/650060580.db2.gz VUZBJGAUBFANMM-HUUCEWRRSA-N 2 0 338.452 -0.480 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000905021074 650060592 /nfs/dbraw/zinc/06/05/92/650060592.db2.gz DALUYZPMBZGQKB-KGLIPLIRSA-N 2 0 326.441 -0.578 20 0 EBADRP COC(=O)CCN1CCN(C(=O)C2CN(C)CC[N@H+](C)C2)[C@@H](C)C1 ZINC000907218135 650078770 /nfs/dbraw/zinc/07/87/70/650078770.db2.gz ARRMPZRUXQNHDF-AWEZNQCLSA-N 2 0 340.468 -0.424 20 0 EBADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000907458125 650083273 /nfs/dbraw/zinc/08/32/73/650083273.db2.gz YAZYMGNUNYPDLN-NVXWUHKLSA-N 2 0 326.485 -0.025 20 0 EBADRP C[C@@H](C[NH+](C)C)NC(=O)c1cnc(C(=O)N[C@@H](C)C[NH+](C)C)cn1 ZINC000908196724 650098575 /nfs/dbraw/zinc/09/85/75/650098575.db2.gz ZNNISRIGOWKGCO-RYUDHWBXSA-N 2 0 336.440 -0.164 20 0 EBADRP CCN1CC[C@H]1CNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000910539436 650112074 /nfs/dbraw/zinc/11/20/74/650112074.db2.gz GDYPRKYAPSMELU-GJZGRUSLSA-N 2 0 338.452 -0.480 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000910947235 650141466 /nfs/dbraw/zinc/14/14/66/650141466.db2.gz VYDUZSGIPXROLC-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CCCO1 ZINC000910984910 650143664 /nfs/dbraw/zinc/14/36/64/650143664.db2.gz QGVLSNALJZQFKH-LSDHHAIUSA-N 2 0 340.468 -0.199 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CCCO1 ZINC000910984053 650143800 /nfs/dbraw/zinc/14/38/00/650143800.db2.gz KBYYDYKPBYRGKE-KBPBESRZSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCCO1 ZINC000910983618 650143839 /nfs/dbraw/zinc/14/38/39/650143839.db2.gz IQKSQJSCANANNH-LJISPDSOSA-N 2 0 338.452 -0.387 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)C1 ZINC000910991963 650144062 /nfs/dbraw/zinc/14/40/62/650144062.db2.gz KJHSHKUOKSCNAR-IHRRRGAJSA-N 2 0 326.441 -0.687 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000910994179 650144178 /nfs/dbraw/zinc/14/41/78/650144178.db2.gz WOZSEAYWNNIURF-GBJTYRQASA-N 2 0 338.452 -0.532 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000910994758 650144403 /nfs/dbraw/zinc/14/44/03/650144403.db2.gz ZDDMPDNYHISURJ-KFWWJZLASA-N 2 0 340.468 -0.487 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000910999257 650144428 /nfs/dbraw/zinc/14/44/28/650144428.db2.gz IMXOEMARXKZQNW-CYBMUJFWSA-N 2 0 326.441 -0.591 20 0 EBADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000911023256 650146118 /nfs/dbraw/zinc/14/61/18/650146118.db2.gz SBUPEXJCXFUWKF-QGZVFWFLSA-N 2 0 340.468 -0.463 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000911022366 650146121 /nfs/dbraw/zinc/14/61/21/650146121.db2.gz LTNHPVATAPUVBG-OAHLLOKOSA-N 2 0 340.468 -0.185 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000911027916 650146141 /nfs/dbraw/zinc/14/61/41/650146141.db2.gz FIPWOWCUUGDUKM-ZNMIVQPWSA-N 2 0 340.468 -0.330 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1)C1CC1 ZINC000911053317 650147978 /nfs/dbraw/zinc/14/79/78/650147978.db2.gz OMAOFHZQQYZEHL-CYBMUJFWSA-N 2 0 338.452 -0.528 20 0 EBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000911055913 650148569 /nfs/dbraw/zinc/14/85/69/650148569.db2.gz RDWCFHCWWBRHMT-PBHICJAKSA-N 2 0 340.468 -0.321 20 0 EBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000911072245 650149356 /nfs/dbraw/zinc/14/93/56/650149356.db2.gz HOYVDEBGPQKBFR-KGLIPLIRSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911147720 650154147 /nfs/dbraw/zinc/15/41/47/650154147.db2.gz SCRSBEQMBPBNOF-IUODEOHRSA-N 2 0 337.468 -0.875 20 0 EBADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CCC([NH3+])CC2)C[N@@H+]1C1CC1 ZINC000911147153 650154471 /nfs/dbraw/zinc/15/44/71/650154471.db2.gz OLRDWQBRAZKFOR-GXTWGEPZSA-N 2 0 337.468 -0.733 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000911156283 650154808 /nfs/dbraw/zinc/15/48/08/650154808.db2.gz PSDAMVMLGKYEFI-UHFFFAOYSA-N 2 0 342.484 -0.096 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000911186629 650157559 /nfs/dbraw/zinc/15/75/59/650157559.db2.gz JPKDHVLSRAFKAK-RBSFLKMASA-N 2 0 340.468 -0.343 20 0 EBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911188771 650157566 /nfs/dbraw/zinc/15/75/66/650157566.db2.gz WSAYONPWNZHJKC-ZDUSSCGKSA-N 2 0 327.473 -0.628 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC[C@H]1C[NH3+] ZINC000911183729 650157745 /nfs/dbraw/zinc/15/77/45/650157745.db2.gz PETOWJWZWQWDOV-GJZGRUSLSA-N 2 0 340.468 -0.342 20 0 EBADRP [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000911187329 650158000 /nfs/dbraw/zinc/15/80/00/650158000.db2.gz RYCOXCIBIHQCQB-PBHICJAKSA-N 2 0 338.452 -0.445 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911236812 650161773 /nfs/dbraw/zinc/16/17/73/650161773.db2.gz SCFVKXZDEFWRIS-MCIONIFRSA-N 2 0 326.441 -0.815 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000911193052 650158400 /nfs/dbraw/zinc/15/84/00/650158400.db2.gz HJCVBBPNJSIHRH-CQSZACIVSA-N 2 0 340.468 -0.282 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000911189250 650158457 /nfs/dbraw/zinc/15/84/57/650158457.db2.gz ZNLYXLAOYWMTCQ-RBSFLKMASA-N 2 0 340.468 -0.425 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000911192918 650158607 /nfs/dbraw/zinc/15/86/07/650158607.db2.gz DSRBBSMWQUIFHK-RBSFLKMASA-N 2 0 340.468 -0.343 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000911201052 650159016 /nfs/dbraw/zinc/15/90/16/650159016.db2.gz VUNCMYKECIJKLZ-XUJVJEKNSA-N 2 0 328.482 -0.488 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911196432 650159055 /nfs/dbraw/zinc/15/90/55/650159055.db2.gz XPWXMQNIEAEUPU-PBHICJAKSA-N 2 0 338.452 -0.432 20 0 EBADRP [NH3+]C1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000911224495 650160669 /nfs/dbraw/zinc/16/06/69/650160669.db2.gz ZAWZKMALRVAYLF-OAHLLOKOSA-N 2 0 337.468 -0.874 20 0 EBADRP CC(C)(CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)C[NH+]1CCCC1 ZINC000911226720 650160698 /nfs/dbraw/zinc/16/06/98/650160698.db2.gz APENNADENQZSKP-KRWDZBQOSA-N 2 0 340.468 -0.463 20 0 EBADRP CC(C)(CNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)C[NH+]1CCCC1 ZINC000911226721 650160884 /nfs/dbraw/zinc/16/08/84/650160884.db2.gz APENNADENQZSKP-QGZVFWFLSA-N 2 0 340.468 -0.463 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911231973 650161340 /nfs/dbraw/zinc/16/13/40/650161340.db2.gz QJGLYOKBFQZHLU-HZPDHXFCSA-N 2 0 348.447 -0.188 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000911231598 650161475 /nfs/dbraw/zinc/16/14/75/650161475.db2.gz OSSZTPFFTWVFPM-KGLIPLIRSA-N 2 0 328.457 -0.486 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000911231299 650161508 /nfs/dbraw/zinc/16/15/08/650161508.db2.gz LWEWYCKVGYFDRL-CJNGLKHVSA-N 2 0 326.441 -0.589 20 0 EBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)c1ccccc1 ZINC000911266917 650164230 /nfs/dbraw/zinc/16/42/30/650164230.db2.gz KAYSHBCMDRQNSQ-YJBOKZPZSA-N 2 0 348.447 -0.282 20 0 EBADRP CN(C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C1(C[NH3+])CCOCC1 ZINC000911269071 650164336 /nfs/dbraw/zinc/16/43/36/650164336.db2.gz HYPAHGZXHPEHJI-KBPBESRZSA-N 2 0 338.452 -0.304 20 0 EBADRP [NH3+]C1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000911283053 650166148 /nfs/dbraw/zinc/16/61/48/650166148.db2.gz WVGUZDGUSGEEAS-CVSAEHQPSA-N 2 0 338.452 -0.570 20 0 EBADRP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911283482 650166327 /nfs/dbraw/zinc/16/63/27/650166327.db2.gz GTXDHJKRAGXUSW-KKUMJFAQSA-N 2 0 338.452 -0.840 20 0 EBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911302877 650168251 /nfs/dbraw/zinc/16/82/51/650168251.db2.gz LAYRMUQCJOGRHQ-CBBWQLFWSA-N 2 0 338.452 -0.842 20 0 EBADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000911309571 650169478 /nfs/dbraw/zinc/16/94/78/650169478.db2.gz GJYOLFXAUDVOGO-BARDWOONSA-N 2 0 338.452 -0.712 20 0 EBADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)c1 ZINC000911310781 650169812 /nfs/dbraw/zinc/16/98/12/650169812.db2.gz NJUIRMDXQGPSQL-AWEZNQCLSA-N 2 0 335.408 -0.742 20 0 EBADRP [NH3+]C1(CNC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CCCC1 ZINC000911327764 650171569 /nfs/dbraw/zinc/17/15/69/650171569.db2.gz VTWXYEJWWSNWAD-KBPBESRZSA-N 2 0 338.452 -0.568 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000911325738 650171644 /nfs/dbraw/zinc/17/16/44/650171644.db2.gz WPKBDRJBFVHYKC-SOUVJXGZSA-N 2 0 338.452 -0.434 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000911325941 650171692 /nfs/dbraw/zinc/17/16/92/650171692.db2.gz YFJWAVKLIRDYRC-MCIONIFRSA-N 2 0 326.441 -0.720 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C[C@H]1[NH3+] ZINC000911420585 650182166 /nfs/dbraw/zinc/18/21/66/650182166.db2.gz QTUQCJGQBIJTLZ-YUELXQCFSA-N 2 0 333.436 -0.004 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)C[NH+](C)C ZINC000911435261 650183447 /nfs/dbraw/zinc/18/34/47/650183447.db2.gz LASZLKPJFVUJQT-XGUBFFRZSA-N 2 0 340.468 -0.345 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C[NH+](C)C ZINC000911433975 650183452 /nfs/dbraw/zinc/18/34/52/650183452.db2.gz GIIUIXCZPSTWOQ-HZSPNIEDSA-N 2 0 326.441 -0.578 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)C[NH+](C)C ZINC000911433743 650183524 /nfs/dbraw/zinc/18/35/24/650183524.db2.gz CZWGTNJOLKILDF-BBRMVZONSA-N 2 0 326.441 -0.719 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)C[NH+](C)C ZINC000911433932 650183533 /nfs/dbraw/zinc/18/35/33/650183533.db2.gz FIWQYAHVNOSPOR-MGPQQGTHSA-N 2 0 326.441 -0.578 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911486177 650188011 /nfs/dbraw/zinc/18/80/11/650188011.db2.gz QBLLHISFNSYCPD-QLFBSQMISA-N 2 0 340.468 -0.201 20 0 EBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911507130 650189302 /nfs/dbraw/zinc/18/93/02/650189302.db2.gz WTIDSYJCAGWYSE-UHFFFAOYSA-N 2 0 325.457 -0.922 20 0 EBADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000911545524 650192716 /nfs/dbraw/zinc/19/27/16/650192716.db2.gz PPSRHLWIURQWKL-XJKSGUPXSA-N 2 0 326.441 -0.588 20 0 EBADRP CN1CCO[C@@H](CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000916895571 650277479 /nfs/dbraw/zinc/27/74/79/650277479.db2.gz NWKXFMUGAKBUNE-GJZGRUSLSA-N 2 0 326.441 -0.131 20 0 EBADRP CCO[C@@H](CNC(=O)N[C@H](C)CN1CC[NH+](C)CC1)C[NH+](C)C ZINC000917224081 650281226 /nfs/dbraw/zinc/28/12/26/650281226.db2.gz PXBUKANOINVZTM-CABCVRRESA-N 2 0 329.489 -0.112 20 0 EBADRP CC[NH+]1CC[C@H]1CNC(=O)C[C@H](O)CC(=O)NC[C@H]1CC[N@H+]1CC ZINC000922159339 650329811 /nfs/dbraw/zinc/32/98/11/650329811.db2.gz PJLVOKQJQRSHOV-QDMKHBRRSA-N 2 0 340.468 -0.452 20 0 EBADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COC1CCOCC1 ZINC000923343052 650338187 /nfs/dbraw/zinc/33/81/87/650338187.db2.gz BFYDSCFXGQJOIQ-LSDHHAIUSA-N 2 0 343.468 -0.138 20 0 EBADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](O)COC1CCOCC1 ZINC000923343046 650338229 /nfs/dbraw/zinc/33/82/29/650338229.db2.gz BFYDSCFXGQJOIQ-CABCVRRESA-N 2 0 343.468 -0.138 20 0 EBADRP COCC[N@H+](C)C[C@@H](O)CN1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000923374811 650339053 /nfs/dbraw/zinc/33/90/53/650339053.db2.gz CQBHDKLRKPMGLR-LSDHHAIUSA-N 2 0 326.445 -0.687 20 0 EBADRP COC[C@H](C)OC[C@H](O)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000923429467 650340197 /nfs/dbraw/zinc/34/01/97/650340197.db2.gz UXAOMWIHNHUCKM-JAAXMTQOSA-N 2 0 330.425 -0.389 20 0 EBADRP COCCOC[C@@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000923432023 650340268 /nfs/dbraw/zinc/34/02/68/650340268.db2.gz UVHSDKTZPISCQO-BBWFWOEESA-N 2 0 327.469 -0.089 20 0 EBADRP COCCCS(=O)(=O)NCC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923450305 650340942 /nfs/dbraw/zinc/34/09/42/650340942.db2.gz UUHKSEZATXRNAG-AWEZNQCLSA-N 2 0 349.497 -0.228 20 0 EBADRP CC(=O)Nc1ccc(OC[C@H](O)CN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000923459754 650341047 /nfs/dbraw/zinc/34/10/47/650341047.db2.gz FLCMLYXTYPVRCC-MRXNPFEDSA-N 2 0 336.436 -0.121 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000923476602 650341521 /nfs/dbraw/zinc/34/15/21/650341521.db2.gz CREIQJQSSJVHHI-RDJZCZTQSA-N 2 0 342.484 -0.755 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(S(=O)(=O)C2C[NH2+]C2)CC1 ZINC000923601263 650345837 /nfs/dbraw/zinc/34/58/37/650345837.db2.gz NAWOYUMBASEMCH-KBPBESRZSA-N 2 0 330.498 -0.222 20 0 EBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NCCCCCN1CC[NH2+]CC1 ZINC000923682311 650352781 /nfs/dbraw/zinc/35/27/81/650352781.db2.gz YKVDNGZOBSSCEI-UHFFFAOYSA-N 2 0 347.529 -0.420 20 0 EBADRP [NH3+]C[C@@H]1CC2(CO1)CCN(S(=O)(=O)C[C@@H]1C[NH2+]CCO1)CC2 ZINC000923687781 650352863 /nfs/dbraw/zinc/35/28/63/650352863.db2.gz LIJZVCRTZWRNRM-STQMWFEESA-N 2 0 333.454 -0.866 20 0 EBADRP C[NH+](C)CCCS(=O)(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000923683572 650353095 /nfs/dbraw/zinc/35/30/95/650353095.db2.gz JTLDJAYJBGTIPW-LBPRGKRZSA-N 2 0 333.454 -0.457 20 0 EBADRP CC[NH+]1CCN(C[C@H](C)CN2C(=O)N[C@@H](C[NH+](C)C)C2=O)CC1 ZINC000924493798 650363875 /nfs/dbraw/zinc/36/38/75/650363875.db2.gz ZZVGXGMFPSWBRK-KBPBESRZSA-N 2 0 325.457 -0.258 20 0 EBADRP CC[NH+]1CCN(C[C@@H](C)CN2C(=O)N[C@@H](C[NH+](C)C)C2=O)CC1 ZINC000924493816 650363916 /nfs/dbraw/zinc/36/39/16/650363916.db2.gz ZZVGXGMFPSWBRK-KGLIPLIRSA-N 2 0 325.457 -0.258 20 0 EBADRP C[NH+](C)C[C@@H]1NC(=O)N(CCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1=O ZINC000924562442 650364975 /nfs/dbraw/zinc/36/49/75/650364975.db2.gz ZESIUZZYEQZTCY-RYUDHWBXSA-N 2 0 325.413 -0.944 20 0 EBADRP C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000924987166 650370997 /nfs/dbraw/zinc/37/09/97/650370997.db2.gz LZLYMQCBVYEKNZ-ZIAGYGMSSA-N 2 0 333.436 -0.372 20 0 EBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000926299025 650385213 /nfs/dbraw/zinc/38/52/13/650385213.db2.gz OSWNGILPMHAEOS-CJNGLKHVSA-N 2 0 326.441 -0.759 20 0 EBADRP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000926308432 650385274 /nfs/dbraw/zinc/38/52/74/650385274.db2.gz GHTLDZSRGMTIEL-PBHICJAKSA-N 2 0 338.452 -0.615 20 0 EBADRP CCO[C@H](CNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)C[NH+](C)C ZINC000926852742 651496677 /nfs/dbraw/zinc/49/66/77/651496677.db2.gz ZPQWQPOVOGAHGX-UONOGXRCSA-N 2 0 343.472 -0.286 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[C@@H]1C[NH3+] ZINC000927890029 651511745 /nfs/dbraw/zinc/51/17/45/651511745.db2.gz DVKLYLQOWDSKGG-QWHCGFSZSA-N 2 0 336.440 -0.174 20 0 EBADRP C[C@@H]1[C@H](NC(=O)C[C@@H](O)CC(=O)N[C@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1C ZINC000928440316 651520168 /nfs/dbraw/zinc/52/01/68/651520168.db2.gz KICBMESICPESGT-RYPNDVFKSA-N 2 0 340.468 -0.455 20 0 EBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000929094559 651532546 /nfs/dbraw/zinc/53/25/46/651532546.db2.gz UPNZMOIXTZBHJP-HUUCEWRRSA-N 2 0 340.468 -0.498 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)C[NH+](C)C ZINC000929508583 651551644 /nfs/dbraw/zinc/55/16/44/651551644.db2.gz CPJPZSUQBRAIDG-HIFRSBDPSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000929749456 651562863 /nfs/dbraw/zinc/56/28/63/651562863.db2.gz GAASFGGQIRIJSW-ZFWWWQNUSA-N 2 0 340.468 -0.188 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)C[NH+](C)C ZINC000929991782 651574712 /nfs/dbraw/zinc/57/47/12/651574712.db2.gz JISZXTRKORZTQH-HUUCEWRRSA-N 2 0 340.468 -0.330 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC[NH+]2CCC(C)(C)C2)C1 ZINC000930008995 651577343 /nfs/dbraw/zinc/57/73/43/651577343.db2.gz JCXUPKSNINCYAZ-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H](CNC(=O)Cc1n[nH]cc1C(=O)NC[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000930097803 651583237 /nfs/dbraw/zinc/58/32/37/651583237.db2.gz KDSMBXSYODKIQG-VXGBXAGGSA-N 2 0 338.456 -0.302 20 0 EBADRP CN1CC[N@H+](CCCCCC[NH+]2CCN(C)[C@H](CO)C2)C[C@@H]1CO ZINC000931402535 651631077 /nfs/dbraw/zinc/63/10/77/651631077.db2.gz FDCZLHPNRJLEDL-HDICACEKSA-N 2 0 342.528 -0.237 20 0 EBADRP COC(=O)CCN1CCC[C@@H]([NH+]2CCC(O)(C[NH+](C)C)CC2)C1=O ZINC000931480214 651634814 /nfs/dbraw/zinc/63/48/14/651634814.db2.gz PCTBUOYOHYKGGV-CQSZACIVSA-N 2 0 341.452 -0.071 20 0 EBADRP C[C@@H](O)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCn4cncc4C3)CC2)C1 ZINC000941462809 652751915 /nfs/dbraw/zinc/75/19/15/652751915.db2.gz GKTKRWDXRYXLSD-HUUCEWRRSA-N 2 0 347.463 -0.345 20 0 EBADRP CC(C)[C@H](C(=O)N1CCN(C2C[NH+](C[C@@H](C)O)C2)CC1)[NH+](C)C ZINC000941553140 652799264 /nfs/dbraw/zinc/79/92/64/652799264.db2.gz MATOVRZLPJBENM-GDBMZVCRSA-N 2 0 326.485 -0.218 20 0 EBADRP C[C@@H](O)C[NH+]1CC(N2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC000941614725 652835190 /nfs/dbraw/zinc/83/51/90/652835190.db2.gz HQPICRYZLNCDJA-MRXNPFEDSA-N 2 0 338.496 -0.073 20 0 EBADRP CO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941866621 652934949 /nfs/dbraw/zinc/93/49/49/652934949.db2.gz DPUGCZPPRHWTDS-RBSFLKMASA-N 2 0 338.452 -0.482 20 0 EBADRP CO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941867639 652935122 /nfs/dbraw/zinc/93/51/22/652935122.db2.gz RXJYSHNVPXBTLH-RRFJBIMHSA-N 2 0 338.452 -0.624 20 0 EBADRP CO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941866874 652935445 /nfs/dbraw/zinc/93/54/45/652935445.db2.gz JDRYKLIRJYIVQN-HUUCEWRRSA-N 2 0 338.452 -0.480 20 0 EBADRP CC[C@@H](C(=O)N1CCC(O)(C[NH2+][C@@H]2CCN(C)C2=O)CC1)[NH+](C)C ZINC000946927570 653273866 /nfs/dbraw/zinc/27/38/66/653273866.db2.gz KGCUGIVKYSUPNM-KGLIPLIRSA-N 2 0 340.468 -0.500 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1 ZINC000946927912 653275090 /nfs/dbraw/zinc/27/50/90/653275090.db2.gz OYKAYMXFKYSWEU-KBPBESRZSA-N 2 0 338.452 -0.698 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCC(O)(C[NH2+][C@@H]2CCCNC2=O)CC1 ZINC000946932761 653277266 /nfs/dbraw/zinc/27/72/66/653277266.db2.gz MSZGFVSPUABULR-CQSZACIVSA-N 2 0 338.452 -0.696 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCC(O)(C[NH2+][C@H]2CCCNC2=O)CC1 ZINC000946932760 653277301 /nfs/dbraw/zinc/27/73/01/653277301.db2.gz MSZGFVSPUABULR-AWEZNQCLSA-N 2 0 338.452 -0.696 20 0 EBADRP C[C@@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)CCO2 ZINC000949051243 653591283 /nfs/dbraw/zinc/59/12/83/653591283.db2.gz BMTSXTSFUPXNKR-KBPBESRZSA-N 2 0 338.452 -0.352 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000949183500 653825243 /nfs/dbraw/zinc/82/52/43/653825243.db2.gz BXYLEQLQIPZNLH-QLFBSQMISA-N 2 0 334.464 -0.003 20 0 EBADRP CCc1cc(N2CCN3CC[NH2+]C[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164398612 718836459 /nfs/dbraw/zinc/83/64/59/718836459.db2.gz HPJRXOVFDGUGQW-OAHLLOKOSA-N 2 0 332.452 -0.031 20 0 EBADRP C[N@@H+]1CCO[C@H]2CN(c3ncccc3C(=O)N3CC[NH2+]CC3)C[C@H]21 ZINC001164672447 719409698 /nfs/dbraw/zinc/40/96/98/719409698.db2.gz RSITXKHORVIIRB-CABCVRRESA-N 2 0 331.420 -0.354 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2C[N@H+](CCCF)C[C@H]2O)n1 ZINC000958077383 722301532 /nfs/dbraw/zinc/30/15/32/722301532.db2.gz UIFRYKNSTRVAAU-UKRRQHHQSA-N 2 0 341.431 -0.173 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)CC1 ZINC000958374229 722354154 /nfs/dbraw/zinc/35/41/54/722354154.db2.gz LPEPOELPWYLQCM-CABCVRRESA-N 2 0 336.440 -0.971 20 0 EBADRP C[NH+](C)CCc1ccc(C(=O)NC[C@@H]2C[N@H+](CCO)C[C@@H]2O)cc1 ZINC000958400497 722360561 /nfs/dbraw/zinc/36/05/61/722360561.db2.gz VQNGXLCUTJIXQH-SJORKVTESA-N 2 0 335.448 -0.195 20 0 EBADRP O=C(NC[C@H]1C[N@H+](CCO)C[C@H]1O)C1CC[NH+](CC2CC2)CC1 ZINC000958581929 722395064 /nfs/dbraw/zinc/39/50/64/722395064.db2.gz VPFMLRDBQCYCJB-JKSUJKDBSA-N 2 0 325.453 -0.490 20 0 EBADRP Cc1nn(C)cc1C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958592158 722397244 /nfs/dbraw/zinc/39/72/44/722397244.db2.gz MGBNOWRUYCQPOL-GDBMZVCRSA-N 2 0 347.463 -0.267 20 0 EBADRP Cn1cc(CC[N@@H+]2C[C@@H](O)[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC000958592961 722397910 /nfs/dbraw/zinc/39/79/10/722397910.db2.gz ZBWYPMNNTVDMPO-JKSUJKDBSA-N 2 0 347.463 -0.533 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC000958595068 722398526 /nfs/dbraw/zinc/39/85/26/722398526.db2.gz PCZZHVITNWLTLQ-CABCVRRESA-N 2 0 333.436 -0.612 20 0 EBADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000958758114 722427768 /nfs/dbraw/zinc/42/77/68/722427768.db2.gz XGNQCKYQBDNDBI-KKUMJFAQSA-N 2 0 338.452 -0.794 20 0 EBADRP C[N@H+](C[C@@H]1CCCN1C(=O)Cc1cnc[nH]1)[C@H]1CCC(=O)NC1=O ZINC000960910589 722878792 /nfs/dbraw/zinc/87/87/92/722878792.db2.gz MKFLDVKNDVSGCB-STQMWFEESA-N 2 0 333.392 -0.320 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1)[NH+](C)C ZINC001019033469 728777363 /nfs/dbraw/zinc/77/73/63/728777363.db2.gz PILBDGXWYRHLMY-QLFBSQMISA-N 2 0 340.468 -0.236 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)C1 ZINC000961601472 723043998 /nfs/dbraw/zinc/04/39/98/723043998.db2.gz XKLOWXYDRXPRPB-HRCADAONSA-N 2 0 334.464 -0.049 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CCN4CCNC4=O)C[C@H]32)C1 ZINC000961785484 723081781 /nfs/dbraw/zinc/08/17/81/723081781.db2.gz FQLYVXKNPIFIOR-NYTXWWLZSA-N 2 0 335.452 -0.600 20 0 EBADRP CN(C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1)C1CC1 ZINC000962297430 723220390 /nfs/dbraw/zinc/22/03/90/723220390.db2.gz ZLKPZWCIOGHMOY-TXPWEPMLSA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1)C(N)=O ZINC001019131400 728806550 /nfs/dbraw/zinc/80/65/50/728806550.db2.gz UGXZVWPCCLYPKE-RYUDHWBXSA-N 2 0 328.376 -0.055 20 0 EBADRP Cn1cncc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001019168568 728814277 /nfs/dbraw/zinc/81/42/77/728814277.db2.gz KFTATPDZSVTEAJ-NOAVELHRSA-N 2 0 345.447 -0.026 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)C1 ZINC000963471611 723430693 /nfs/dbraw/zinc/43/06/93/723430693.db2.gz ASOVYVJIJINPIM-KFWWJZLASA-N 2 0 338.452 -0.888 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC000964128057 723824964 /nfs/dbraw/zinc/82/49/64/723824964.db2.gz LVHVLFMPZILKQZ-HUUCEWRRSA-N 2 0 338.452 -0.480 20 0 EBADRP CC[C@H](C(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000964290746 723943802 /nfs/dbraw/zinc/94/38/02/723943802.db2.gz VHADYUKNCFLUHW-RRFJBIMHSA-N 2 0 340.468 -0.236 20 0 EBADRP CC[C@@H](C(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000964291145 723944420 /nfs/dbraw/zinc/94/44/20/723944420.db2.gz VHADYUKNCFLUHW-QLFBSQMISA-N 2 0 340.468 -0.236 20 0 EBADRP C[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001019325035 728859661 /nfs/dbraw/zinc/85/96/61/728859661.db2.gz GRXKBATWQNBUHO-ZFWWWQNUSA-N 2 0 343.493 -0.047 20 0 EBADRP C[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)CC1 ZINC001019326451 728859969 /nfs/dbraw/zinc/85/99/69/728859969.db2.gz PGJGXNVMPXAOQH-ZDUSSCGKSA-N 2 0 337.424 -0.930 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001019381816 728875886 /nfs/dbraw/zinc/87/58/86/728875886.db2.gz WHSXBGHEWYHBAB-KGLIPLIRSA-N 2 0 336.436 -0.190 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N2CC[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001019386898 728876440 /nfs/dbraw/zinc/87/64/40/728876440.db2.gz XODUOIJZNCBXMO-QWHCGFSZSA-N 2 0 336.436 -0.286 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NC2CC3(C2)CC([NH2+]CC(N)=O)C3)cn1 ZINC000965425287 724234454 /nfs/dbraw/zinc/23/44/54/724234454.db2.gz TXGBEJRZLOYTAI-UHFFFAOYSA-N 2 0 348.451 -0.439 20 0 EBADRP O=C(N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)C12CCC[NH+]1CCC2 ZINC000969197496 725160849 /nfs/dbraw/zinc/16/08/49/725160849.db2.gz KKYLHORLZNCQIF-OLZOCXBDSA-N 2 0 334.420 -0.390 20 0 EBADRP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC000969411407 725177790 /nfs/dbraw/zinc/17/77/90/725177790.db2.gz KEWIKCUADTYIMA-AAEUAGOBSA-N 2 0 337.424 -0.931 20 0 EBADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC000969411409 725177885 /nfs/dbraw/zinc/17/78/85/725177885.db2.gz KEWIKCUADTYIMA-WCQYABFASA-N 2 0 337.424 -0.931 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC000969955568 725231786 /nfs/dbraw/zinc/23/17/86/725231786.db2.gz PKUWSXDJPUECCS-LSDHHAIUSA-N 2 0 338.452 -0.623 20 0 EBADRP Cn1nncc1C[NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000970231799 725265454 /nfs/dbraw/zinc/26/54/54/725265454.db2.gz ZVCKXXCCYPHTLB-CQSZACIVSA-N 2 0 346.439 -0.423 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H]([NH2+][C@H]3CCNC3=O)C2)cn1 ZINC000970231401 725265458 /nfs/dbraw/zinc/26/54/58/725265458.db2.gz PURRRKBKFYUXKL-KGLIPLIRSA-N 2 0 334.424 -0.863 20 0 EBADRP C[C@H](NC(=O)C1CC[NH+](C)CC1)C1C[NH+](CCN2CCNC2=O)C1 ZINC000970372021 725284917 /nfs/dbraw/zinc/28/49/17/725284917.db2.gz KFMIVFOOXXLEGV-ZDUSSCGKSA-N 2 0 337.468 -0.210 20 0 EBADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC000970747163 725323193 /nfs/dbraw/zinc/32/31/93/725323193.db2.gz SFOXWFYLHIWHIT-LBPRGKRZSA-N 2 0 349.435 -0.930 20 0 EBADRP C[N@H+](CCN1C(=O)CNC1=O)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000971201461 725353875 /nfs/dbraw/zinc/35/38/75/725353875.db2.gz OEFAACFBDISEGB-OLZOCXBDSA-N 2 0 337.424 -0.835 20 0 EBADRP C[N@H+](CCN1C(=O)CCC1=O)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000971202219 725353940 /nfs/dbraw/zinc/35/39/40/725353940.db2.gz UNLJFPLXNAYORR-UONOGXRCSA-N 2 0 336.436 -0.238 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC000971780135 725436573 /nfs/dbraw/zinc/43/65/73/725436573.db2.gz VRFCSFDGDDOISI-CHWSQXEVSA-N 2 0 339.440 -0.589 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CCN2CCNC2=O)C1)[NH+](C)C ZINC000971779489 725436649 /nfs/dbraw/zinc/43/66/49/725436649.db2.gz SGPSJVBDPFZVGZ-UONOGXRCSA-N 2 0 325.457 -0.116 20 0 EBADRP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H](N(C)CC(=O)N3CCC3)C2)O1 ZINC000971781424 725436725 /nfs/dbraw/zinc/43/67/25/725436725.db2.gz JZALRWSXUPYVBB-RBSFLKMASA-N 2 0 338.452 -0.530 20 0 EBADRP C[N@H+]([C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)[C@@H]1CCC(=O)NC1=O ZINC000972235843 725482204 /nfs/dbraw/zinc/48/22/04/725482204.db2.gz RPKHJIFSIOMVEC-UONOGXRCSA-N 2 0 336.436 -0.334 20 0 EBADRP O=C(Cc1ncc[nH]1)N[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000973354432 725717894 /nfs/dbraw/zinc/71/78/94/725717894.db2.gz HOVWDTFEWWQFAG-XDQVBPFNSA-N 2 0 347.419 -0.421 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)C1 ZINC000976531834 726336370 /nfs/dbraw/zinc/33/63/70/726336370.db2.gz HDANGTYDRAHENS-CAOSSQGBSA-N 2 0 334.464 -0.147 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2C[C@@H]([NH2+]CC(N)=O)C(C)(C)C2)cn1 ZINC000996403272 726387857 /nfs/dbraw/zinc/38/78/57/726387857.db2.gz VBAQCEOSQYDJRI-CYBMUJFWSA-N 2 0 336.440 -0.630 20 0 EBADRP CC(C)(C(=O)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1)[NH+]1CCCC1 ZINC001051749649 735370019 /nfs/dbraw/zinc/37/00/19/735370019.db2.gz HVAPOSOENOAMEO-ZIAGYGMSSA-N 2 0 338.452 -0.434 20 0 EBADRP Cn1cc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)nn1 ZINC000996618230 726420303 /nfs/dbraw/zinc/42/03/03/726420303.db2.gz FEUNUAWMAHOMBJ-HOTGVXAUSA-N 2 0 348.451 -0.241 20 0 EBADRP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000996821712 726428838 /nfs/dbraw/zinc/42/88/38/726428838.db2.gz HXGUMMSLDDESSK-PGMGQSNYSA-N 2 0 348.447 -0.681 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC000996998552 726434390 /nfs/dbraw/zinc/43/43/90/726434390.db2.gz KPBPDGGCQONTBG-GXTWGEPZSA-N 2 0 336.436 -0.144 20 0 EBADRP CC[C@@H]([NH2+]C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1)C(N)=O ZINC000997125116 726439185 /nfs/dbraw/zinc/43/91/85/726439185.db2.gz FUDFKGUNQJMICJ-OAHLLOKOSA-N 2 0 340.468 -0.058 20 0 EBADRP CC[C@H](C(=O)N1CCC(C[NH2+][C@@H]2CCC(=O)NC2=O)CC1)[NH+](C)C ZINC000997854395 726467436 /nfs/dbraw/zinc/46/74/36/726467436.db2.gz CWFFWOZMNWOGRN-ZIAGYGMSSA-N 2 0 338.452 -0.040 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC000998731976 726496260 /nfs/dbraw/zinc/49/62/60/726496260.db2.gz PWQSBBSYDFAZQB-KGLIPLIRSA-N 2 0 336.436 -0.190 20 0 EBADRP CN(C(=O)C12CCC[NH+]1CCC2)C1CC([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000999047175 726505531 /nfs/dbraw/zinc/50/55/31/726505531.db2.gz AOYVEZYLMDABGT-UHFFFAOYSA-N 2 0 348.451 -0.184 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1)C(N)=O ZINC000999180178 726510161 /nfs/dbraw/zinc/51/01/61/726510161.db2.gz FQHBHZFDEJKONM-CHWSQXEVSA-N 2 0 336.440 -0.487 20 0 EBADRP Cn1nnnc1CN[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999596273 726523891 /nfs/dbraw/zinc/52/38/91/726523891.db2.gz KQYJYNOGXIPSMS-CYBMUJFWSA-N 2 0 333.440 -0.081 20 0 EBADRP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000999697049 726528265 /nfs/dbraw/zinc/52/82/65/726528265.db2.gz IRVWLDDJCKVXGR-UHFFFAOYSA-N 2 0 349.435 -0.787 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000999873040 726537180 /nfs/dbraw/zinc/53/71/80/726537180.db2.gz VLXPITHAPBILAD-CZUORRHYSA-N 2 0 334.464 -0.003 20 0 EBADRP COCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)C3)nn2)C1 ZINC001000041418 726552758 /nfs/dbraw/zinc/55/27/58/726552758.db2.gz BQVLGGOTDJVTBY-UKRRQHHQSA-N 2 0 336.440 -0.261 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCc2cn([C@H]3CC[NH+](CCCO)C3)nn2)C1 ZINC001000043349 726552838 /nfs/dbraw/zinc/55/28/38/726552838.db2.gz KDNQYPGXQSAQPY-HIFRSBDPSA-N 2 0 336.440 -0.525 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001000082562 726554147 /nfs/dbraw/zinc/55/41/47/726554147.db2.gz QRLDXZADRCQCGF-ZIAGYGMSSA-N 2 0 336.436 -0.286 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CCC[C@@H]([NH2+][C@H]3CCNC3=O)C2)cn1 ZINC001000429361 726566821 /nfs/dbraw/zinc/56/68/21/726566821.db2.gz CEQXQJYQUZMNKL-CABCVRRESA-N 2 0 348.451 -0.473 20 0 EBADRP Cc1nc[nH]c1CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001000797661 726578301 /nfs/dbraw/zinc/57/83/01/726578301.db2.gz QRJHRXYAYSDUDO-NEPJUHHUSA-N 2 0 333.392 -0.354 20 0 EBADRP CCN1CCO[C@@H](C(=O)N2CCC[C@@H](NCc3nncn3C)C2)C1 ZINC001000968469 726585628 /nfs/dbraw/zinc/58/56/28/726585628.db2.gz JSMQQCZBVHIZPI-ZIAGYGMSSA-N 2 0 336.440 -0.384 20 0 EBADRP C[C@H](O)C[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001000979393 726585895 /nfs/dbraw/zinc/58/58/95/726585895.db2.gz ZIADBCDYTLWTAP-OBYFKMTLSA-N 2 0 335.448 -0.021 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001001263269 726599686 /nfs/dbraw/zinc/59/96/86/726599686.db2.gz JCFQDXDBOPCNIG-UONOGXRCSA-N 2 0 336.436 -0.286 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC2=CC[NH+](CCN3CCNC3=O)CC2)C1 ZINC001001454762 726606842 /nfs/dbraw/zinc/60/68/42/726606842.db2.gz ZRVWMLURVCYTSC-HNNXBMFYSA-N 2 0 335.452 -0.288 20 0 EBADRP O=C(NC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001002834095 726649780 /nfs/dbraw/zinc/64/97/80/726649780.db2.gz RQXVNEKFXXTLNB-HUUCEWRRSA-N 2 0 348.447 -0.286 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](C[C@H](O)Cn3cccn3)CC2)C1 ZINC001004149086 726701551 /nfs/dbraw/zinc/70/15/51/726701551.db2.gz DREFRJGELZMANP-ZBFHGGJFSA-N 2 0 335.452 -0.224 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](CCN3C(=O)CNC3=O)CC2)C1 ZINC001004150261 726701567 /nfs/dbraw/zinc/70/15/67/726701567.db2.gz QSTBEZNHQODINV-LBPRGKRZSA-N 2 0 337.424 -0.930 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC001009525724 726928373 /nfs/dbraw/zinc/92/83/73/726928373.db2.gz WLYLKUYQSQLVAG-HOTGVXAUSA-N 2 0 335.452 -0.080 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001011658045 727553729 /nfs/dbraw/zinc/55/37/29/727553729.db2.gz YYOSTWXXIZTLBT-LSDHHAIUSA-N 2 0 334.464 -0.049 20 0 EBADRP Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001051902126 735454640 /nfs/dbraw/zinc/45/46/40/735454640.db2.gz VLIVQEPVDXPGGF-ZFWWWQNUSA-N 2 0 336.440 -0.526 20 0 EBADRP CN1CCC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)C1=O ZINC001051931706 735469307 /nfs/dbraw/zinc/46/93/07/735469307.db2.gz CKNREZWJDBLCOA-HUUCEWRRSA-N 2 0 338.452 -0.480 20 0 EBADRP COc1cncc(C[NH2+]C[C@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)n1 ZINC001051931949 735470042 /nfs/dbraw/zinc/47/00/42/735470042.db2.gz JDORZOXYRNLLST-HNNXBMFYSA-N 2 0 349.435 -0.102 20 0 EBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001014463768 727957573 /nfs/dbraw/zinc/95/75/73/727957573.db2.gz RIFBPTQJZSSAEO-OAGGEKHMSA-N 2 0 325.453 -0.084 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H](N2CC[NH+](CCO)CC2)C1 ZINC001052027605 735511075 /nfs/dbraw/zinc/51/10/75/735511075.db2.gz HTQRFIAZFLSXBX-DLBZAZTESA-N 2 0 336.480 -0.461 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CC12CC[NH+]([C@H]1CCC(=O)NC1=O)CC2 ZINC001016975408 728535334 /nfs/dbraw/zinc/53/53/34/728535334.db2.gz QTWPAIYZMAODEK-UONOGXRCSA-N 2 0 348.447 -0.142 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@H]([NH2+][C@H]3CCCNC3=O)C2)n1 ZINC001018861258 728696083 /nfs/dbraw/zinc/69/60/83/728696083.db2.gz QSWMHSLUIAKHPD-KBPBESRZSA-N 2 0 348.451 -0.473 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001020026139 729058072 /nfs/dbraw/zinc/05/80/72/729058072.db2.gz IFNWPWLHHWXRBS-JHJVBQTASA-N 2 0 334.424 -0.361 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCCNC3=O)C2)n1 ZINC001020165249 729089143 /nfs/dbraw/zinc/08/91/43/729089143.db2.gz PUXAKKBFXMUHII-IHRRRGAJSA-N 2 0 348.451 -0.426 20 0 EBADRP O=C(C[NH2+][C@@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1)N1CCC1 ZINC001020178719 729092121 /nfs/dbraw/zinc/09/21/21/729092121.db2.gz BYCNGPRXJNXGAN-TUVASFSCSA-N 2 0 336.436 -0.681 20 0 EBADRP O=C(N[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)C12CCC[NH+](CCC1)C2 ZINC001020285850 729124256 /nfs/dbraw/zinc/12/42/56/729124256.db2.gz KCMGZKRDCVTTOR-IHRRRGAJSA-N 2 0 348.447 -0.096 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)nc1=O ZINC001020285918 729124391 /nfs/dbraw/zinc/12/43/91/729124391.db2.gz LTAUZLANWZQAOF-JOCQHMNTSA-N 2 0 348.451 -0.279 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001020590315 729206081 /nfs/dbraw/zinc/20/60/81/729206081.db2.gz SDDQTGNBUZYMOZ-SYQHCUMBSA-N 2 0 336.436 -0.430 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)nc1=O ZINC001020719705 729222801 /nfs/dbraw/zinc/22/28/01/729222801.db2.gz PHUCCLXAHHAZIL-XUXIUFHCSA-N 2 0 348.451 -0.138 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCCS(=O)(=O)C3)C2)C1 ZINC001021049355 729275290 /nfs/dbraw/zinc/27/52/90/729275290.db2.gz NBMFIYGDBKWDEY-KBUPBQIOSA-N 2 0 343.493 0.000 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3CCCS3(=O)=O)C2)C1 ZINC001021048374 729275429 /nfs/dbraw/zinc/27/54/29/729275429.db2.gz YQHCPLNEOFMKMV-IHRRRGAJSA-N 2 0 344.481 -0.790 20 0 EBADRP O=C(N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001022089958 729453401 /nfs/dbraw/zinc/45/34/01/729453401.db2.gz PJYNXIVVCMBLPA-HZSPNIEDSA-N 2 0 349.435 -0.883 20 0 EBADRP O=C(N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001022089155 729453483 /nfs/dbraw/zinc/45/34/83/729453483.db2.gz FJPQGPKDRFWMER-ZNMIVQPWSA-N 2 0 335.452 -0.410 20 0 EBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1)C(N)=O ZINC001022097272 729454890 /nfs/dbraw/zinc/45/48/90/729454890.db2.gz RATHPXCREQRLEP-FRRDWIJNSA-N 2 0 336.440 -0.441 20 0 EBADRP Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)nn1 ZINC001022118931 729457205 /nfs/dbraw/zinc/45/72/05/729457205.db2.gz AOQGJODZBMLUEW-OSRDXIQISA-N 2 0 334.424 -0.585 20 0 EBADRP CCn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)nn1 ZINC001022120144 729457910 /nfs/dbraw/zinc/45/79/10/729457910.db2.gz LDYCDTGQDLHMOQ-XRGAULLZSA-N 2 0 348.451 -0.102 20 0 EBADRP CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1=O ZINC001022455174 729495567 /nfs/dbraw/zinc/49/55/67/729495567.db2.gz JWDXNMGKUCEBCH-FUQSPGTJSA-N 2 0 348.447 -0.683 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)nc1=O ZINC001022533663 729504725 /nfs/dbraw/zinc/50/47/25/729504725.db2.gz CULPRGMQDYMQHD-TXEJJXNPSA-N 2 0 336.440 -0.280 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001022600360 729517048 /nfs/dbraw/zinc/51/70/48/729517048.db2.gz MGCBYYQIOMRPMO-ZQDZILKHSA-N 2 0 337.468 -0.021 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001022712004 729524210 /nfs/dbraw/zinc/52/42/10/729524210.db2.gz ICOYLTYQYHWMPW-SOUVJXGZSA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001022719183 729525045 /nfs/dbraw/zinc/52/50/45/729525045.db2.gz ITXIDKIKULIIBS-YIYPIFLZSA-N 2 0 348.451 -0.257 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001022719181 729525062 /nfs/dbraw/zinc/52/50/62/729525062.db2.gz ITXIDKIKULIIBS-MQYQWHSLSA-N 2 0 348.451 -0.257 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)cn1 ZINC001022838442 729536712 /nfs/dbraw/zinc/53/67/12/729536712.db2.gz OJKWBSUUPRIHGU-GASCZTMLSA-N 2 0 346.439 -0.413 20 0 EBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1)C(N)=O ZINC001022838290 729536868 /nfs/dbraw/zinc/53/68/68/729536868.db2.gz KAORFMGUCQZNKS-HZSPNIEDSA-N 2 0 336.440 -0.441 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001022976862 729568057 /nfs/dbraw/zinc/56/80/57/729568057.db2.gz LMBJQNWDQZVOIO-UPJWGTAASA-N 2 0 337.424 -0.883 20 0 EBADRP O=C(NC[C@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001023703184 729755506 /nfs/dbraw/zinc/75/55/06/729755506.db2.gz CIPLZKDLRPJVAL-ZIAGYGMSSA-N 2 0 348.447 -0.284 20 0 EBADRP O=C(NC[C@@H]1CCC[N@H+](CCN2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001023703589 729755769 /nfs/dbraw/zinc/75/57/69/729755769.db2.gz OEVSYWHUFWPFQY-HNNXBMFYSA-N 2 0 349.479 -0.064 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1)[NH+](C)C ZINC001024038494 729833004 /nfs/dbraw/zinc/83/30/04/729833004.db2.gz HMTSWERAMFEVQY-CHWSQXEVSA-N 2 0 338.456 -0.223 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001024135842 729849633 /nfs/dbraw/zinc/84/96/33/729849633.db2.gz PYWCFYCNBBKSGO-CYBMUJFWSA-N 2 0 335.456 -0.120 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C[NH2+]Cc3nnnn3C)C2)C1 ZINC001024155976 729852495 /nfs/dbraw/zinc/85/24/95/729852495.db2.gz GBRURZPBWDGRFS-KGLIPLIRSA-N 2 0 335.456 -0.120 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC001025708000 730076731 /nfs/dbraw/zinc/07/67/31/730076731.db2.gz IEHRRRUBZFPLEF-ARKGTOAJSA-N 2 0 333.436 -0.615 20 0 EBADRP CN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1=O ZINC001025787290 730088290 /nfs/dbraw/zinc/08/82/90/730088290.db2.gz KNQKQJLWOMWMRE-LJIZCISZSA-N 2 0 332.448 -0.395 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)[C@H]1C[NH+]2CCC1CC2 ZINC001025787208 730088320 /nfs/dbraw/zinc/08/83/20/730088320.db2.gz ADHGTRCFPYBBGN-JHZZJYKESA-N 2 0 346.431 -0.820 20 0 EBADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001025787554 730088406 /nfs/dbraw/zinc/08/84/06/730088406.db2.gz RKXMVTPARZGIQV-AFHWFKKNSA-N 2 0 334.464 -0.149 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025798630 730090060 /nfs/dbraw/zinc/09/00/60/730090060.db2.gz BDOBHNVGYNJLFP-ARKGTOAJSA-N 2 0 346.435 -0.812 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025798614 730090529 /nfs/dbraw/zinc/09/05/29/730090529.db2.gz AHTFOFCOSLXGNM-NRKLIOEPSA-N 2 0 345.447 -0.207 20 0 EBADRP CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CC[C@@H](C)C2)C1=O ZINC001026043495 730117401 /nfs/dbraw/zinc/11/74/01/730117401.db2.gz DCRQXLRVCDCTDC-GAGVYUBLSA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@H]21 ZINC001026044222 730117676 /nfs/dbraw/zinc/11/76/76/730117676.db2.gz MBFKPVMSTOYDHI-DHWSYENGSA-N 2 0 334.464 -0.149 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)N3CCCC3)C[C@H]21 ZINC001026044909 730118054 /nfs/dbraw/zinc/11/80/54/730118054.db2.gz USEGMIIWTOKNHN-NBFUAULTSA-N 2 0 334.464 -0.147 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001026140373 730124356 /nfs/dbraw/zinc/12/43/56/730124356.db2.gz KLQDUMVNIZODRU-VBTGVMJWSA-N 2 0 334.420 -0.820 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21 ZINC001026148541 730126014 /nfs/dbraw/zinc/12/60/14/730126014.db2.gz OPAHQEDUMKLHFY-NBFUAULTSA-N 2 0 349.479 -0.069 20 0 EBADRP NC(=O)C[NH2+]C1CCC(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001026530913 730148836 /nfs/dbraw/zinc/14/88/36/730148836.db2.gz JCSJLPWWNJJEBM-DLUQRMLASA-N 2 0 336.436 -0.648 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001026734527 730156654 /nfs/dbraw/zinc/15/66/54/730156654.db2.gz PGVSBALEJOCBPI-KBPBESRZSA-N 2 0 348.451 -0.159 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001026847878 730163215 /nfs/dbraw/zinc/16/32/15/730163215.db2.gz RACHXMZQMJHBET-OCCSQVGLSA-N 2 0 333.440 -0.510 20 0 EBADRP CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1)[NH+](C)C ZINC001026901028 730169300 /nfs/dbraw/zinc/16/93/00/730169300.db2.gz IAEUWHWCKPYOIF-OCCSQVGLSA-N 2 0 338.456 -0.367 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nc1=O ZINC001026921795 730170632 /nfs/dbraw/zinc/17/06/32/730170632.db2.gz XGNMCWGOJPNPAX-QWHCGFSZSA-N 2 0 336.440 -0.469 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnnn3C)C2)CC[N@@H+]1C ZINC001027021205 730182303 /nfs/dbraw/zinc/18/23/03/730182303.db2.gz IZVIYMRDXVBTAI-IHRRRGAJSA-N 2 0 335.456 -0.122 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCNC3=O)C2)cn1 ZINC001027115687 730189455 /nfs/dbraw/zinc/18/94/55/730189455.db2.gz HTVAFAMEZQROKI-UKRRQHHQSA-N 2 0 348.451 -0.615 20 0 EBADRP C[N@H+]([C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)[C@H]1CCC(=O)NC1=O ZINC001027681432 730234133 /nfs/dbraw/zinc/23/41/33/730234133.db2.gz WYFTTYKGSAHWHE-KGLIPLIRSA-N 2 0 336.436 -0.190 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCN2C(=O)CNC2=O)C1 ZINC001028314383 730282630 /nfs/dbraw/zinc/28/26/30/730282630.db2.gz TXQLWLSTVSBGIO-CHWSQXEVSA-N 2 0 337.424 -0.930 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCN2C(=O)CCC2=O)C1 ZINC001028320621 730283448 /nfs/dbraw/zinc/28/34/48/730283448.db2.gz UBAOGTPCUIKUAM-KBPBESRZSA-N 2 0 336.436 -0.332 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC(=O)N2CCOCC2)C1 ZINC001028447038 730293304 /nfs/dbraw/zinc/29/33/04/730293304.db2.gz LFWXIFGQIHGGOE-LSDHHAIUSA-N 2 0 338.452 -0.623 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CCN3CCNC3=O)C2)CC1 ZINC001028778894 730356304 /nfs/dbraw/zinc/35/63/04/730356304.db2.gz NZQQFPJRUBIMGJ-CQSZACIVSA-N 2 0 337.468 -0.209 20 0 EBADRP C[N@H+](CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@H]1CCC(=O)NC1=O)C1CCC1 ZINC001029339981 730399839 /nfs/dbraw/zinc/39/98/39/730399839.db2.gz SYUCETLUFMCZPY-ZNMIVQPWSA-N 2 0 348.447 -0.049 20 0 EBADRP Cn1[nH]c(C[N@H+](C)C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nc1=O ZINC001029888963 730520106 /nfs/dbraw/zinc/52/01/06/730520106.db2.gz QURRRXRWHAILFU-ZDUSSCGKSA-N 2 0 348.451 -0.516 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001030032308 730538599 /nfs/dbraw/zinc/53/85/99/730538599.db2.gz UIWJDBBFUUWLKP-ARFHVFGLSA-N 2 0 335.452 -0.081 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC2C[NH+](C[C@H](O)Cn3cccn3)C2)CC[N@@H+]1C ZINC001031683411 730750348 /nfs/dbraw/zinc/75/03/48/730750348.db2.gz ZPKBKYHPAGJPCC-VNQPRFMTSA-N 2 0 335.452 -0.368 20 0 EBADRP O=C(NCC1C[NH+](CCn2cncn2)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001031688495 730750814 /nfs/dbraw/zinc/75/08/14/730750814.db2.gz GMGSERNIIJSDQE-GJZGRUSLSA-N 2 0 334.424 -0.811 20 0 EBADRP O=C(NCC1C[NH+](CCn2cncn2)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001031857500 730781275 /nfs/dbraw/zinc/78/12/75/730781275.db2.gz WTUVQVKHAROWRP-GNHJJJEISA-N 2 0 346.435 -0.811 20 0 EBADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001033080759 730967524 /nfs/dbraw/zinc/96/75/24/730967524.db2.gz IYLNBCIRUNFUOT-HZPDHXFCSA-N 2 0 349.479 -0.114 20 0 EBADRP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001033582014 731043832 /nfs/dbraw/zinc/04/38/32/731043832.db2.gz NCNVZGHGGSAHPK-HUUCEWRRSA-N 2 0 337.468 -0.114 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CCCN2C(=O)C[C@H]2CC[N@H+](C)C2)nc1=O ZINC001035101559 731186235 /nfs/dbraw/zinc/18/62/35/731186235.db2.gz YVRUNIZXNKICQD-CHWSQXEVSA-N 2 0 336.440 -0.469 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001039785400 731533732 /nfs/dbraw/zinc/53/37/32/731533732.db2.gz IZDIWLBSQJUWIB-WMLDXEAASA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001040213944 731647501 /nfs/dbraw/zinc/64/75/01/731647501.db2.gz CWYZUDUGVUCBBR-QGZVFWFLSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)C[NH+](CC)CC)C1)[NH+](C)C ZINC001040360271 731713323 /nfs/dbraw/zinc/71/33/23/731713323.db2.gz VXQPQIRXHWJYCC-WMLDXEAASA-N 2 0 342.484 -0.252 20 0 EBADRP C[NH+](C)CCCCC(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040432932 731732197 /nfs/dbraw/zinc/73/21/97/731732197.db2.gz ZENDYTAQUXTONT-QGZVFWFLSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC001040494949 731758456 /nfs/dbraw/zinc/75/84/56/731758456.db2.gz GRZOOWWQTMAUDU-VBQJREDUSA-N 2 0 340.468 -0.500 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001040717088 731845503 /nfs/dbraw/zinc/84/55/03/731845503.db2.gz AZGHNCBYLGLGNB-KRWDZBQOSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001040721234 731847010 /nfs/dbraw/zinc/84/70/10/731847010.db2.gz PUNOFDPVPSLETF-WMLDXEAASA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040797128 731878141 /nfs/dbraw/zinc/87/81/41/731878141.db2.gz ARTQYNOGVGEHBU-QGZVFWFLSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[C@H](C(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001040797164 731878558 /nfs/dbraw/zinc/87/85/58/731878558.db2.gz CCPUWVLMNUYPDI-CJNGLKHVSA-N 2 0 328.457 -0.642 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)C1 ZINC001040797604 731879083 /nfs/dbraw/zinc/87/90/83/731879083.db2.gz JZUYZHLAWWMBBH-YOEHRIQHSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001040798655 731879685 /nfs/dbraw/zinc/87/96/85/731879685.db2.gz UMJLVMPQXIUVTA-RHSMWYFYSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040921414 731919827 /nfs/dbraw/zinc/91/98/27/731919827.db2.gz BILUAKKNZGYYPW-RHSMWYFYSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@]3(CC[N@H+](CCO)C3)C2)cn1 ZINC001041735853 732208983 /nfs/dbraw/zinc/20/89/83/732208983.db2.gz JLURRZFGQPHZCT-KRWDZBQOSA-N 2 0 335.452 -0.025 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041835416 732236429 /nfs/dbraw/zinc/23/64/29/732236429.db2.gz SVTCOMULCMPFJN-RDJZCZTQSA-N 2 0 325.453 -0.129 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H]3CC[N@H+](CCO)[C@@H]3C2)cn1 ZINC001042266384 732381954 /nfs/dbraw/zinc/38/19/54/732381954.db2.gz MEGQGZODYDZIHA-GOEBONIOSA-N 2 0 335.452 -0.027 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061599384 738640006 /nfs/dbraw/zinc/64/00/06/738640006.db2.gz QRVUILVCUDOZKD-HUUCEWRRSA-N 2 0 338.452 -0.480 20 0 EBADRP C[NH+](C)C1(C(=O)N2CC(O)(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001043114781 732764017 /nfs/dbraw/zinc/76/40/17/732764017.db2.gz BJJAWYMDNZHYFA-CYBMUJFWSA-N 2 0 338.452 -0.888 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001043115324 732764621 /nfs/dbraw/zinc/76/46/21/732764621.db2.gz GYOVEKKAZCAVIY-KGLIPLIRSA-N 2 0 338.452 -0.888 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C[NH+](CC)CC)C1 ZINC001043157769 732793873 /nfs/dbraw/zinc/79/38/73/732793873.db2.gz JZIRAMMRZDBWSE-UHFFFAOYSA-N 2 0 328.457 -0.641 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)C[NH+](CC)CC)C1 ZINC001043157641 732793922 /nfs/dbraw/zinc/79/39/22/732793922.db2.gz IAKHIOKQBPCWHI-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043333512 732874262 /nfs/dbraw/zinc/87/42/62/732874262.db2.gz AUJIDYSQJZZLKY-ZDUSSCGKSA-N 2 0 346.447 -0.693 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)C1 ZINC001043429377 732933689 /nfs/dbraw/zinc/93/36/89/732933689.db2.gz AIKRYELVTBWLFV-ZIAGYGMSSA-N 2 0 340.468 -0.786 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1 ZINC001043429943 732934616 /nfs/dbraw/zinc/93/46/16/732934616.db2.gz HXJIIKWQLABUJW-UHFFFAOYSA-N 2 0 328.457 -0.642 20 0 EBADRP CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1)[NH+](C)C ZINC001043463190 732955605 /nfs/dbraw/zinc/95/56/05/732955605.db2.gz LTWZKNPEPYDFLD-KGLIPLIRSA-N 2 0 340.468 -0.644 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC001061650776 738671370 /nfs/dbraw/zinc/67/13/70/738671370.db2.gz DDUGHPUHAHGSPU-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)[NH+](C)C ZINC001043680652 733057474 /nfs/dbraw/zinc/05/74/74/733057474.db2.gz HYXQWSINWHROLN-MGPQQGTHSA-N 2 0 340.468 -0.644 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001043708460 733069551 /nfs/dbraw/zinc/06/95/51/733069551.db2.gz PQTFQMQVCUOZJS-UHFFFAOYSA-N 2 0 340.468 -0.641 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001043774071 733107429 /nfs/dbraw/zinc/10/74/29/733107429.db2.gz RYLJVFUHJXZFPY-UONOGXRCSA-N 2 0 338.452 -0.888 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001043774070 733107490 /nfs/dbraw/zinc/10/74/90/733107490.db2.gz RYLJVFUHJXZFPY-KGLIPLIRSA-N 2 0 338.452 -0.888 20 0 EBADRP CC[C@@H](C(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)[NH+](C)C ZINC001044043943 733259973 /nfs/dbraw/zinc/25/99/73/733259973.db2.gz IAHRZKCMOIJZSX-KBPBESRZSA-N 2 0 340.468 -0.500 20 0 EBADRP CC(C)[C@H](C(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1)[NH+](C)C ZINC001044287991 733357473 /nfs/dbraw/zinc/35/74/73/733357473.db2.gz YPIZTMSERGRWDW-OAHLLOKOSA-N 2 0 342.484 -0.396 20 0 EBADRP C[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)C[NH+]1CCCC1 ZINC001044857054 733526208 /nfs/dbraw/zinc/52/62/08/733526208.db2.gz DVHUTHZVNLFNKS-QWHCGFSZSA-N 2 0 336.440 -0.327 20 0 EBADRP CC[C@H](C(N)=O)[NH+]1CCC(C)(NC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001045398298 733686614 /nfs/dbraw/zinc/68/66/14/733686614.db2.gz ZZAMUNGMYUASHV-CHWSQXEVSA-N 2 0 326.441 -0.448 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045412711 733689482 /nfs/dbraw/zinc/68/94/82/733689482.db2.gz FBFBDKKPIGGXJY-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[C@@H](C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1)[NH+](C)C ZINC001045412397 733689572 /nfs/dbraw/zinc/68/95/72/733689572.db2.gz BFKLZQPEUKWESK-ZDUSSCGKSA-N 2 0 328.457 -0.642 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC2(CO1)CC[NH+](CC(N)=O)CC2 ZINC001045662802 733748595 /nfs/dbraw/zinc/74/85/95/733748595.db2.gz FWNRGURZEPRUCE-KBPBESRZSA-N 2 0 338.452 -0.447 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC3(CO2)CC[NH+](CC(N)=O)CC3)C1 ZINC001045684949 733754022 /nfs/dbraw/zinc/75/40/22/733754022.db2.gz CJUXKRCRCCIASU-KGLIPLIRSA-N 2 0 338.452 -0.589 20 0 EBADRP CC[C@@H](C(=O)N1CCN([C@H]2CC[N@H+](CC(=O)NC)C2)CC1)[NH+](C)C ZINC001046062338 733840076 /nfs/dbraw/zinc/84/00/76/733840076.db2.gz FMZFXTCJECNUQZ-GJZGRUSLSA-N 2 0 339.484 -0.709 20 0 EBADRP C[C@@H](O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001046076324 733851152 /nfs/dbraw/zinc/85/11/52/733851152.db2.gz LWYWVHMIWOMYAG-HZPDHXFCSA-N 2 0 336.480 -0.319 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[NH+](CCN2C(=O)CCC2=O)C1 ZINC001046196791 733875429 /nfs/dbraw/zinc/87/54/29/733875429.db2.gz GPANQBXFMPSQSD-CXAGYDPISA-N 2 0 336.436 -0.190 20 0 EBADRP CC[C@@H](C(=O)N1CC(O)(CNC(=O)CC[N@H+](C)CC)C1)[NH+](C)C ZINC001046525801 733953951 /nfs/dbraw/zinc/95/39/51/733953951.db2.gz UCPONWIRHRSYAW-ZDUSSCGKSA-N 2 0 328.457 -0.642 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001046525782 733954254 /nfs/dbraw/zinc/95/42/54/733954254.db2.gz SJNHGLPZBOXTET-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001046525743 733954281 /nfs/dbraw/zinc/95/42/81/733954281.db2.gz QSNMBLFMRIWPKX-UHFFFAOYSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001046530706 733955364 /nfs/dbraw/zinc/95/53/64/733955364.db2.gz BKBRNRRYYGODKU-UHFFFAOYSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CCN3CCNC3=O)C2)CC1 ZINC001046595356 733977738 /nfs/dbraw/zinc/97/77/38/733977738.db2.gz FVFDERPPRDDKGM-QGZVFWFLSA-N 2 0 337.468 -0.066 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001061827351 738772522 /nfs/dbraw/zinc/77/25/22/738772522.db2.gz HGGWHHIFWMCFPK-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001061828262 738772988 /nfs/dbraw/zinc/77/29/88/738772988.db2.gz RSDZINSLSHNEEW-AWEZNQCLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1 ZINC001046690750 734006148 /nfs/dbraw/zinc/00/61/48/734006148.db2.gz DJJIXLQHJOUSBX-ZIAGYGMSSA-N 2 0 340.468 -0.785 20 0 EBADRP C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CC[N@H+](CCN2CCNC2=O)C1 ZINC001046776648 734025142 /nfs/dbraw/zinc/02/51/42/734025142.db2.gz HDOBUTTUQGHSMV-INIZCTEOSA-N 2 0 335.452 -0.312 20 0 EBADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CN(CCn2cncn2)C[C@@H]1O ZINC001047383338 734166984 /nfs/dbraw/zinc/16/69/84/734166984.db2.gz ICTNPSMNLBUPIZ-JYJNAYRXSA-N 2 0 348.451 -0.877 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCOC[C@H]2CNC(=O)CC[NH+](C)C)C1 ZINC001061862657 738791450 /nfs/dbraw/zinc/79/14/50/738791450.db2.gz WMQQTAHMCBFXIV-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H](O)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001047592215 734272038 /nfs/dbraw/zinc/27/20/38/734272038.db2.gz HCEORZRLJVQKAO-COXVUDFISA-N 2 0 339.480 -0.007 20 0 EBADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CN(CC(=O)NC2CC2)C[C@@H]1O ZINC001047595927 734273820 /nfs/dbraw/zinc/27/38/20/734273820.db2.gz KOOBURWXNKVAIX-QEJZJMRPSA-N 2 0 338.452 -0.890 20 0 EBADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CN(Cc2cncn2C)C[C@@H]1O ZINC001047595596 734273994 /nfs/dbraw/zinc/27/39/94/734273994.db2.gz HILDUFLWFSVRNM-KBMXLJTQSA-N 2 0 335.452 -0.235 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061907152 738809548 /nfs/dbraw/zinc/80/95/48/738809548.db2.gz BHQUXWHUVOMNMC-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001048364829 734400889 /nfs/dbraw/zinc/40/08/89/734400889.db2.gz BBDGZIZBJZZIDK-GXTWGEPZSA-N 2 0 335.456 -0.264 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001048558658 734444688 /nfs/dbraw/zinc/44/46/88/734444688.db2.gz UIMBYBHWHBOZKP-ILXRZTDVSA-N 2 0 340.468 -0.548 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@@H](O)Cn3cccn3)C[C@@H]2C1 ZINC001048723703 734483975 /nfs/dbraw/zinc/48/39/75/734483975.db2.gz MWWYKJYHDJFVQE-TWMKSMIVSA-N 2 0 347.463 -0.272 20 0 EBADRP CN(C)C(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001048823575 734525553 /nfs/dbraw/zinc/52/55/53/734525553.db2.gz FISWYDRXMZXZSZ-OWCLPIDISA-N 2 0 334.464 -0.193 20 0 EBADRP C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]2C1 ZINC001048825296 734526702 /nfs/dbraw/zinc/52/67/02/734526702.db2.gz PBGGTHVQPWDRPJ-KFWWJZLASA-N 2 0 335.452 -0.171 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001048890013 734558790 /nfs/dbraw/zinc/55/87/90/734558790.db2.gz LAIPIRGUQVXIII-OKILXGFUSA-N 2 0 338.452 -0.780 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1)[NH+](C)C ZINC001048891932 734560028 /nfs/dbraw/zinc/56/00/28/734560028.db2.gz WVIOQEVQZWMKAB-RQJABVFESA-N 2 0 336.436 -0.478 20 0 EBADRP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001049136133 734658557 /nfs/dbraw/zinc/65/85/57/734658557.db2.gz RSVDYPCKXXMHBY-OKILXGFUSA-N 2 0 338.452 -0.767 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[NH+](CC(=O)NC4CC4)C[C@@H]3C2)C1 ZINC001049171127 734674794 /nfs/dbraw/zinc/67/47/94/734674794.db2.gz LQUJJFBCBDQKAN-SOUVJXGZSA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(N1C[C@@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001049173778 734675722 /nfs/dbraw/zinc/67/57/22/734675722.db2.gz HHPZCOODBOBJPM-MJBXVCDLSA-N 2 0 346.431 -0.722 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](C[C@H](O)Cn4cccn4)C[C@@H]3C2)C1 ZINC001049215115 734687375 /nfs/dbraw/zinc/68/73/75/734687375.db2.gz JTEXFSVUNZFFBU-NCOADZHNSA-N 2 0 347.463 -0.414 20 0 EBADRP CN(C(=O)CCC[NH+](C)C)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001049349770 734713989 /nfs/dbraw/zinc/71/39/89/734713989.db2.gz ZSZPLGQOQZNKSB-KBPBESRZSA-N 2 0 328.457 -0.690 20 0 EBADRP CN(C(=O)CC[NH+](C)C)[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC001049436018 734729724 /nfs/dbraw/zinc/72/97/24/734729724.db2.gz YAZNFYWECMHHJN-ILXRZTDVSA-N 2 0 340.468 -0.690 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CC[NH+]([C@@H]2CCC(=O)NC2=O)CC3)C1 ZINC001050754043 734954571 /nfs/dbraw/zinc/95/45/71/734954571.db2.gz NSSHDYKQKCQMDK-UONOGXRCSA-N 2 0 348.447 -0.332 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC2(C1)CC[NH+](CC(N)=O)CC2 ZINC001050757699 734955225 /nfs/dbraw/zinc/95/52/25/734955225.db2.gz XEEXYIXCUYBWOQ-CQSZACIVSA-N 2 0 338.452 -0.636 20 0 EBADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001051257884 735114004 /nfs/dbraw/zinc/11/40/04/735114004.db2.gz ASMMRVRSGKGRJH-HUUCEWRRSA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3cnnn3C)C2)CC[N@@H+]1C ZINC001051624954 735271821 /nfs/dbraw/zinc/27/18/21/735271821.db2.gz WKMCQYLTMRLGOA-BPLDGKMQSA-N 2 0 336.440 -0.528 20 0 EBADRP C[C@H](O)C[NH+]1CCN([C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001052108501 735550868 /nfs/dbraw/zinc/55/08/68/735550868.db2.gz NOXDOIIUTVRNLP-JKSUJKDBSA-N 2 0 336.480 -0.319 20 0 EBADRP O=C(c1cn[nH]n1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CCO)CC1 ZINC001052989530 735736605 /nfs/dbraw/zinc/73/66/05/735736605.db2.gz JWLRGKIXEBCWSO-OKILXGFUSA-N 2 0 334.424 -0.450 20 0 EBADRP C[C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1[NH2+]CC(N)=O ZINC001054798346 736247639 /nfs/dbraw/zinc/24/76/39/736247639.db2.gz TUUFVZKIFWVUIE-STQMWFEESA-N 2 0 326.441 -0.733 20 0 EBADRP C[C@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1[NH2+]CC(N)=O ZINC001054894756 736264927 /nfs/dbraw/zinc/26/49/27/736264927.db2.gz YGIKLSUGLYJRPU-SMDDNHRTSA-N 2 0 328.376 -0.197 20 0 EBADRP COCC(=O)NCC[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001055497254 736358738 /nfs/dbraw/zinc/35/87/38/736358738.db2.gz ZDIXXPQSJRTNGY-UHFFFAOYSA-N 2 0 326.441 -0.575 20 0 EBADRP O=C(C[NH+]1CCCC1)NC1CC[NH+](CCNC(=O)c2ccn[nH]2)CC1 ZINC001055529939 736369920 /nfs/dbraw/zinc/36/99/20/736369920.db2.gz ZNTONIXJFQZZPE-UHFFFAOYSA-N 2 0 348.451 -0.184 20 0 EBADRP C[NH+](C)CCC(=O)NC1CC[NH+](CCNC(=O)[C@H]2CCOC2)CC1 ZINC001055539940 736375278 /nfs/dbraw/zinc/37/52/78/736375278.db2.gz SDWSNVPSGWROQU-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCNC(=O)c2ncc[nH]2)CC1 ZINC001055572218 736388175 /nfs/dbraw/zinc/38/81/75/736388175.db2.gz USKAPMHDQJKVLT-CQSZACIVSA-N 2 0 348.451 -0.186 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)c2cn[nH]c2)CC1 ZINC001055633272 736417377 /nfs/dbraw/zinc/41/73/77/736417377.db2.gz ICCZFHRVQZQDFS-UHFFFAOYSA-N 2 0 336.440 -0.328 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001056104825 736643361 /nfs/dbraw/zinc/64/33/61/736643361.db2.gz HFKVNZSOTSNXRI-QGZVFWFLSA-N 2 0 342.484 -0.250 20 0 EBADRP CC(C)[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001057631659 737369874 /nfs/dbraw/zinc/36/98/74/737369874.db2.gz BZMYEBLFMTZCEV-CABCVRRESA-N 2 0 342.484 -0.539 20 0 EBADRP CC[C@H](C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1)[NH+](C)C ZINC001057640331 737380560 /nfs/dbraw/zinc/38/05/60/737380560.db2.gz GZPIFWAFEISVON-CQSZACIVSA-N 2 0 328.457 -0.641 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)C[NH+](CC)CC ZINC001057659686 737397001 /nfs/dbraw/zinc/39/70/01/737397001.db2.gz UXMUQIQLIQVNTF-UHFFFAOYSA-N 2 0 330.473 -0.393 20 0 EBADRP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001057661391 737397788 /nfs/dbraw/zinc/39/77/88/737397788.db2.gz QWXRHMOBIBXETA-HUUCEWRRSA-N 2 0 342.484 -0.395 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC001057739481 737427416 /nfs/dbraw/zinc/42/74/16/737427416.db2.gz BYNPEQDJHAFGGK-KFWWJZLASA-N 2 0 340.468 -0.642 20 0 EBADRP C[NH+](C)[C@H](C(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001057876327 737495749 /nfs/dbraw/zinc/49/57/49/737495749.db2.gz HLVWKLLPIXGWHT-CABCVRRESA-N 2 0 340.468 -0.642 20 0 EBADRP C[N@H+](CC(=O)N(CCO)CCNC(=O)[C@H]1CCC[NH+]1C)C1CCC1 ZINC001057903406 737522253 /nfs/dbraw/zinc/52/22/53/737522253.db2.gz IFJLVQCCMYMKET-OAHLLOKOSA-N 2 0 340.468 -0.498 20 0 EBADRP C[N@H+](CC(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1)C1CCC1 ZINC001057903578 737522525 /nfs/dbraw/zinc/52/25/25/737522525.db2.gz PIKMPSYZNOSEGM-UHFFFAOYSA-N 2 0 340.468 -0.496 20 0 EBADRP CC[C@H](C(=O)N(CCO)CCNC(=O)C[N@H+](C)C1CCC1)[NH+](C)C ZINC001057975248 737572144 /nfs/dbraw/zinc/57/21/44/737572144.db2.gz LNIUBOIYQQSKSZ-OAHLLOKOSA-N 2 0 342.484 -0.252 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H]1CCCC[NH+]1C ZINC001058039254 737601753 /nfs/dbraw/zinc/60/17/53/737601753.db2.gz UPTQQUFNHQUQKO-HNNXBMFYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)CCC(=O)NCCN(CCO)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001058158147 737681274 /nfs/dbraw/zinc/68/12/74/737681274.db2.gz QSYRTBFTSWKIKO-AWEZNQCLSA-N 2 0 328.457 -0.783 20 0 EBADRP CC(C)[C@H](C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C)[NH+](C)C ZINC001058607647 737920257 /nfs/dbraw/zinc/92/02/57/737920257.db2.gz JIMNEVMUJFNQNG-MRXNPFEDSA-N 2 0 344.500 -0.149 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058709443 737960318 /nfs/dbraw/zinc/96/03/18/737960318.db2.gz VMVGCSXTAAGDBQ-HUUCEWRRSA-N 2 0 342.484 -0.252 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058709344 737960461 /nfs/dbraw/zinc/96/04/61/737960461.db2.gz ROPDUNDSPHQGSS-OAHLLOKOSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001058710714 737961516 /nfs/dbraw/zinc/96/15/16/737961516.db2.gz LSGGAGOEXLRBNR-KRWDZBQOSA-N 2 0 340.468 -0.639 20 0 EBADRP CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001058816032 738003566 /nfs/dbraw/zinc/00/35/66/738003566.db2.gz GITPIKCLHDFBRA-CQSZACIVSA-N 2 0 328.457 -0.783 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001058845004 738024907 /nfs/dbraw/zinc/02/49/07/738024907.db2.gz BXOCKIUGLOICKB-HNNXBMFYSA-N 2 0 342.484 -0.393 20 0 EBADRP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001058845284 738025675 /nfs/dbraw/zinc/02/56/75/738025675.db2.gz KMMWUYVMKULAHS-HNNXBMFYSA-N 2 0 342.484 -0.393 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)CCC[NH+](C)C)C1 ZINC001058846815 738027741 /nfs/dbraw/zinc/02/77/41/738027741.db2.gz GHCSWZXCIXRSBS-HNNXBMFYSA-N 2 0 342.484 -0.393 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@H]2CCC[NH+]2C)CCO1 ZINC001064977197 739455346 /nfs/dbraw/zinc/45/53/46/739455346.db2.gz CKCZCVQXFVBIQA-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)CCO1 ZINC001064978022 739455993 /nfs/dbraw/zinc/45/59/93/739455993.db2.gz MBPPWMFSADZXBQ-HUUCEWRRSA-N 2 0 340.468 -0.236 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)CCO1 ZINC001065168734 739572987 /nfs/dbraw/zinc/57/29/87/739572987.db2.gz FCRIXEBVDORWDF-GJZGRUSLSA-N 2 0 340.468 -0.378 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)CCO1 ZINC001065168735 739573053 /nfs/dbraw/zinc/57/30/53/739573053.db2.gz FCRIXEBVDORWDF-HUUCEWRRSA-N 2 0 340.468 -0.378 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001065169064 739573610 /nfs/dbraw/zinc/57/36/10/739573610.db2.gz HCZQVXMFFPDOOZ-ZIAGYGMSSA-N 2 0 326.441 -0.767 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@H]2CC[NH+](C)C2)CCO1 ZINC001065169315 739573617 /nfs/dbraw/zinc/57/36/17/739573617.db2.gz KHHWLKWSLXLPBO-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNC(=O)C[NH+]3CCCC3)C2)C1 ZINC001065170042 739574873 /nfs/dbraw/zinc/57/48/73/739574873.db2.gz UVONBMZSICJNDO-GJZGRUSLSA-N 2 0 338.452 -0.623 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001065177474 739581495 /nfs/dbraw/zinc/58/14/95/739581495.db2.gz GEWJGVLIZILJCM-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001065178098 739582081 /nfs/dbraw/zinc/58/20/81/739582081.db2.gz NIVQNQRMVGQXEM-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[C@H](C(=O)N1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1)[NH+](C)C ZINC001065300331 739636015 /nfs/dbraw/zinc/63/60/15/739636015.db2.gz GGVWJQNUSKPRRC-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCO1 ZINC001065370573 739678924 /nfs/dbraw/zinc/67/89/24/739678924.db2.gz SSKVWCQDSQRQBL-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP CC(C)[C@H](C(=O)N1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001065404349 739691401 /nfs/dbraw/zinc/69/14/01/739691401.db2.gz BBIAUNYSKXPOBF-GOEBONIOSA-N 2 0 342.484 -0.132 20 0 EBADRP CC[C@@H](C(=O)NC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1)[NH+](C)C ZINC001065426463 739706081 /nfs/dbraw/zinc/70/60/81/739706081.db2.gz UVMICKVXFWCLRE-QLFBSQMISA-N 2 0 340.468 -0.236 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065571919 739768214 /nfs/dbraw/zinc/76/82/14/739768214.db2.gz FGGNWVARWRGKBE-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065572789 739769079 /nfs/dbraw/zinc/76/90/79/739769079.db2.gz XGYNKFXKFWWKPV-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065576961 739772750 /nfs/dbraw/zinc/77/27/50/739772750.db2.gz YXPUATXLRGCWIQ-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[C@H](C(=O)N[C@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1)[NH+](C)C ZINC001068913489 740491038 /nfs/dbraw/zinc/49/10/38/740491038.db2.gz SIBBMNHRVSQEBR-ZIAGYGMSSA-N 2 0 340.468 -0.236 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069013319 740523362 /nfs/dbraw/zinc/52/33/62/740523362.db2.gz NBHLUAMHBQMFEO-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001069015366 740524257 /nfs/dbraw/zinc/52/42/57/740524257.db2.gz QZHUSZKCSSTPMP-ZDUSSCGKSA-N 2 0 326.441 -0.624 20 0 EBADRP C[NH+](C)CCC(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001070122436 740709760 /nfs/dbraw/zinc/70/97/60/740709760.db2.gz WTHGZFBTPFLLMF-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001070357616 740793735 /nfs/dbraw/zinc/79/37/35/740793735.db2.gz WKSIFIJZOJKKPA-AVGNSLFASA-N 2 0 336.440 -0.145 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2[NH2+]CCO)c1 ZINC001070492997 740848760 /nfs/dbraw/zinc/84/87/60/740848760.db2.gz DGAFNNJRNSBXNY-YQQAZPJKSA-N 2 0 347.463 -0.362 20 0 EBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cn(C)cn1)C(N)=O ZINC001070563427 740864544 /nfs/dbraw/zinc/86/45/44/740864544.db2.gz CMMGEDDRHLFCDA-KCQAQPDRSA-N 2 0 348.451 -0.726 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCO)CC2)C1 ZINC001071104408 741060698 /nfs/dbraw/zinc/06/06/98/741060698.db2.gz WAOLGMSQMQHZJK-XHSDSOJGSA-N 2 0 325.453 -0.084 20 0 EBADRP C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)CC[NH+](C)C ZINC001072433031 741398686 /nfs/dbraw/zinc/39/86/86/741398686.db2.gz QTLMRQGOJUSSKF-KBPBESRZSA-N 2 0 328.457 -0.521 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001072742983 741469625 /nfs/dbraw/zinc/46/96/25/741469625.db2.gz YAMOSFVPIRQQFP-HUUCEWRRSA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@H](O)C[N@@H+]1CCC2(CN(C(=O)c3ccn(CC[NH+](C)C)n3)C2)C1 ZINC001072746323 741471106 /nfs/dbraw/zinc/47/11/06/741471106.db2.gz HTFNKAJJNDEKNE-AWEZNQCLSA-N 2 0 335.452 -0.027 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CC2(C1)CC[N@@H+]([C@@H]1CCC(=O)NC1=O)C2)C1CC1 ZINC001072814541 741492668 /nfs/dbraw/zinc/49/26/68/741492668.db2.gz IPYUGUWFTDCTAG-UKRRQHHQSA-N 2 0 348.447 -0.334 20 0 EBADRP CC[C@H](C(=O)N1CC2(C1)CC[N@@H+]([C@H]1CCC(=O)NC1=O)C2)[NH+](C)C ZINC001072851215 741503275 /nfs/dbraw/zinc/50/32/75/741503275.db2.gz OBVQHTSCKCMMQE-OLZOCXBDSA-N 2 0 336.436 -0.334 20 0 EBADRP C[C@@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC001073087325 741556927 /nfs/dbraw/zinc/55/69/27/741556927.db2.gz PTWVKJDOXMNJPK-ZDUSSCGKSA-N 2 0 338.452 -0.495 20 0 EBADRP O=C(N1CC2(C1)CC[N@H+](CCN1CCNC1=O)C2)C12CC[NH+](CC1)C2 ZINC001073131353 741567437 /nfs/dbraw/zinc/56/74/37/741567437.db2.gz LQXCWUJCUDDJLH-UHFFFAOYSA-N 2 0 347.463 -0.358 20 0 EBADRP C[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001073433535 741613027 /nfs/dbraw/zinc/61/30/27/741613027.db2.gz BEIPRLYPXSFFJD-LSDHHAIUSA-N 2 0 325.453 -0.130 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCn2cncn2)CCCO1 ZINC001073555279 741650870 /nfs/dbraw/zinc/65/08/70/741650870.db2.gz ZEXZPDKRESATIR-CABCVRRESA-N 2 0 336.440 -0.421 20 0 EBADRP O=C(NC[C@H]1C[N@H+](CCCO)CCCO1)[C@@H]1C[NH+]2CCC1CC2 ZINC001073605668 741682875 /nfs/dbraw/zinc/68/28/75/741682875.db2.gz QIQVNGUOURQKQA-JKSUJKDBSA-N 2 0 325.453 -0.082 20 0 EBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C)C(N)=O ZINC001074656146 742048983 /nfs/dbraw/zinc/04/89/83/742048983.db2.gz XWRDHEWCWACSDW-AVGNSLFASA-N 2 0 336.440 -0.489 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC(O)(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001074713425 742083886 /nfs/dbraw/zinc/08/38/86/742083886.db2.gz VIUXRWNCAWXABR-UHFFFAOYSA-N 2 0 340.468 -0.496 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001074713496 742084153 /nfs/dbraw/zinc/08/41/53/742084153.db2.gz XWRGBEIYEDOSAW-UHFFFAOYSA-N 2 0 342.484 -0.252 20 0 EBADRP CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014126 742695486 /nfs/dbraw/zinc/69/54/86/742695486.db2.gz DSMBEXNJDUWMOV-BPLDGKMQSA-N 2 0 339.440 -0.746 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2O)C1 ZINC001077678930 743163810 /nfs/dbraw/zinc/16/38/10/743163810.db2.gz BQJXMKIRVINJLH-NUEKZKHPSA-N 2 0 325.453 -0.084 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)CCNC(=O)CC[NH+](C)C ZINC001078200250 743533796 /nfs/dbraw/zinc/53/37/96/743533796.db2.gz PUQIETHFGQTSTF-CABCVRRESA-N 2 0 342.484 -0.083 20 0 EBADRP Cn1nnnc1C[NH2+][C@@H]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000981460737 806176378 /nfs/dbraw/zinc/17/63/78/806176378.db2.gz FLPFYLPYVRXJJP-OLZOCXBDSA-N 2 0 333.440 -0.177 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)C1 ZINC000976868532 803921730 /nfs/dbraw/zinc/92/17/30/803921730.db2.gz MUSVENKVNMGRKN-AIANPOQGSA-N 2 0 346.475 -0.003 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000976871462 803925600 /nfs/dbraw/zinc/92/56/00/803925600.db2.gz UGAKXJBRTGSYAI-LJIGWXMPSA-N 2 0 346.475 -0.003 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4CCC[NH+]4C)C[C@H]32)C1 ZINC000977200941 804210118 /nfs/dbraw/zinc/21/01/18/804210118.db2.gz APKQTMFBZZNOOU-GAGVYUBLSA-N 2 0 334.464 -0.005 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[NH+](CCN3CCNC3=O)CC2(C)C)C1 ZINC000977599379 804407108 /nfs/dbraw/zinc/40/71/08/804407108.db2.gz LZPKCNJCJIZZLS-KBPBESRZSA-N 2 0 337.468 -0.210 20 0 EBADRP CN(C(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1)C1CC1 ZINC000977917629 804563299 /nfs/dbraw/zinc/56/32/99/804563299.db2.gz GPGOYOWLJAHUDH-JONQDZQNSA-N 2 0 334.464 -0.005 20 0 EBADRP O=C(C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1)NC1CC1 ZINC000978147575 804692887 /nfs/dbraw/zinc/69/28/87/804692887.db2.gz RVOBPBWGZWPUSN-VQHPVUNQSA-N 2 0 346.475 -0.099 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCN4CCNC4=O)C[C@H]32)CC1 ZINC000978678294 804920520 /nfs/dbraw/zinc/92/05/20/804920520.db2.gz OOOHSRWPVHZPDA-PHZGNYQRSA-N 2 0 349.479 -0.353 20 0 EBADRP C[C@@H](C(N)=O)[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC000978831111 804996429 /nfs/dbraw/zinc/99/64/29/804996429.db2.gz SBVSKJJUHHBXIO-CYUUQNCZSA-N 2 0 348.451 -0.774 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC000984805498 807391154 /nfs/dbraw/zinc/39/11/54/807391154.db2.gz SXZVIYNUUKBXKD-SYQHCUMBSA-N 2 0 336.436 -0.240 20 0 EBADRP C[N@H+](C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)[C@@H]1CCC(=O)NC1=O ZINC000985333549 807487153 /nfs/dbraw/zinc/48/71/53/807487153.db2.gz HLPVNTLXEXMUKY-ZIAGYGMSSA-N 2 0 336.436 -0.191 20 0 EBADRP C[N@H+](CC(N)=O)C1CCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000985543430 807534104 /nfs/dbraw/zinc/53/41/04/807534104.db2.gz ONRFLRSRAARCLA-KDJCLPLCSA-N 2 0 336.436 -0.742 20 0 EBADRP C[C@@H]1[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987359325 807899953 /nfs/dbraw/zinc/89/99/53/807899953.db2.gz NJISCDSCYVFHMY-NEPJUHHUSA-N 2 0 334.424 -0.717 20 0 EBADRP C[C@@H]1C[C@H]([NH2+]CCN2CCNC2=O)CN1C(=O)C1CC[NH+](C)CC1 ZINC000989390978 808463281 /nfs/dbraw/zinc/46/32/81/808463281.db2.gz PVMBAFJOSBTBRV-HIFRSBDPSA-N 2 0 337.468 -0.068 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[NH+](C[C@H](O)Cn3cccn3)CC2)C1 ZINC000989665429 808551696 /nfs/dbraw/zinc/55/16/96/808551696.db2.gz FDACTEYRAXJTRG-CVEARBPZSA-N 2 0 335.452 -0.270 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000990515241 808819890 /nfs/dbraw/zinc/81/98/90/808819890.db2.gz UKNAHVQPFQSVAB-HNNXBMFYSA-N 2 0 348.451 -0.521 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001002086292 809686154 /nfs/dbraw/zinc/68/61/54/809686154.db2.gz GSXJOTXRCQCHSH-CVEARBPZSA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001214335557 810239652 /nfs/dbraw/zinc/23/96/52/810239652.db2.gz BOKZSHVLTZBLPK-MCIONIFRSA-N 2 0 346.497 -0.592 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC001214344011 810240454 /nfs/dbraw/zinc/24/04/54/810240454.db2.gz MGMUUVKRLOHOSV-MGPQQGTHSA-N 2 0 346.435 -0.054 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCNC(C)=O)C1)[NH+](C)C ZINC001214952832 810295367 /nfs/dbraw/zinc/29/53/67/810295367.db2.gz OJYCQOSPKZEECF-FVQBIDKESA-N 2 0 342.484 -0.084 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001215456510 810329335 /nfs/dbraw/zinc/32/93/35/810329335.db2.gz YXHMPMWPGSCBEJ-DGCLKSJQSA-N 2 0 339.440 -0.637 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215461029 810331090 /nfs/dbraw/zinc/33/10/90/810331090.db2.gz OERFHXPAINOTFI-UKRRQHHQSA-N 2 0 328.457 -0.473 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215458901 810331104 /nfs/dbraw/zinc/33/11/04/810331104.db2.gz PERGEXJLVZMZFX-QLFBSQMISA-N 2 0 342.484 -0.084 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001215461119 810331368 /nfs/dbraw/zinc/33/13/68/810331368.db2.gz SPKAJTPBOYQVOB-HZSPNIEDSA-N 2 0 331.482 -0.191 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001215993797 810353476 /nfs/dbraw/zinc/35/34/76/810353476.db2.gz DSRBVUPVQOIASO-VXGBXAGGSA-N 2 0 327.429 -0.780 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001215990152 810353786 /nfs/dbraw/zinc/35/37/86/810353786.db2.gz URGQCRWUPXQJQR-ZIAGYGMSSA-N 2 0 338.452 -0.086 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001216212680 810363062 /nfs/dbraw/zinc/36/30/62/810363062.db2.gz CLCDUHDBZSQDFW-ZIAGYGMSSA-N 2 0 338.452 -0.086 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC001216401862 810371520 /nfs/dbraw/zinc/37/15/20/810371520.db2.gz PUMNYVAPXIDPKS-ZIAGYGMSSA-N 2 0 342.484 -0.084 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001216400894 810371598 /nfs/dbraw/zinc/37/15/98/810371598.db2.gz DFAYAUQMXMSIMF-CHWSQXEVSA-N 2 0 335.470 -0.954 20 0 EBADRP CC[C@@H](C)NC(=O)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216400867 810372009 /nfs/dbraw/zinc/37/20/09/810372009.db2.gz BTSIOTBZNXFHHN-RBSFLKMASA-N 2 0 342.484 -0.084 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001216845060 810396099 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0 340.405 -0.186 20 0 EBADRP COC[C@H](C)Oc1cc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)[nH]n1 ZINC001218720923 810523899 /nfs/dbraw/zinc/52/38/99/810523899.db2.gz PDFNGDYUPMTYFB-CMPLNLGQSA-N 2 0 340.428 -0.488 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1cncc(N2CCOCC2)c1 ZINC001218746251 810526530 /nfs/dbraw/zinc/52/65/30/810526530.db2.gz DTYZWXYHUBWTAC-INIZCTEOSA-N 2 0 348.451 -0.393 20 0 EBADRP O=C(Cc1nc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)n[nH]1)c1ccccc1 ZINC001218792850 810532361 /nfs/dbraw/zinc/53/23/61/810532361.db2.gz PYKSFENJYXAEQV-LBPRGKRZSA-N 2 0 340.387 -0.022 20 0 EBADRP Nc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218914480 810544647 /nfs/dbraw/zinc/54/46/47/810544647.db2.gz XHJMLULHWUYNDG-GFCCVEGCSA-N 2 0 327.410 -0.818 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H]2C[NH+]([C@@H]3CCN(C)C3=O)C[C@@H]21 ZINC001218919056 810544707 /nfs/dbraw/zinc/54/47/07/810544707.db2.gz MVSUVPBFVTUTAZ-QLFBSQMISA-N 2 0 338.452 -0.530 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3CN(CCOCCO)C[C@@H]32)C1 ZINC001218966078 810549782 /nfs/dbraw/zinc/54/97/82/810549782.db2.gz VCECZQHEHLLTOU-OWCLPIDISA-N 2 0 341.452 -0.751 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219001016 810551986 /nfs/dbraw/zinc/55/19/86/810551986.db2.gz LBXZUOAEIDDKMD-HRCADAONSA-N 2 0 343.468 -0.363 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@]1(N)CC[NH2+]C1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219503362 810725244 /nfs/dbraw/zinc/72/52/44/810725244.db2.gz HUBGIQFCJDCPEW-IRXDYDNUSA-N 2 0 345.403 -0.492 20 0 EBADRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NCCC(=O)N1CCOCC1 ZINC001219573186 810755721 /nfs/dbraw/zinc/75/57/21/810755721.db2.gz HIKCAGJENNKKRB-AWEZNQCLSA-N 2 0 328.457 -0.153 20 0 EBADRP C[C@H]1CC[C@H](NC(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C[NH2+]1 ZINC001219583576 810759086 /nfs/dbraw/zinc/75/90/86/810759086.db2.gz ZSYPJPYFBUREJO-RWMBFGLXSA-N 2 0 329.466 -0.343 20 0 EBADRP [NH3+][C@@H](C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F)C1CCC2(CC1)OCCO2 ZINC001219621585 810774984 /nfs/dbraw/zinc/77/49/84/810774984.db2.gz DTPVAYQMQKITQZ-GZBFAFLISA-N 2 0 345.415 -0.574 20 0 EBADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc2c(c1)[C@H]1C[NH2+]C[C@H]1NC2=O ZINC001219638910 810782799 /nfs/dbraw/zinc/78/27/99/810782799.db2.gz RMUQONZBKMEJAJ-UOVKNHIHSA-N 2 0 332.379 -0.085 20 0 EBADRP C[C@@H]1C[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C[NH2+]1 ZINC001219684339 810797876 /nfs/dbraw/zinc/79/78/76/810797876.db2.gz MVXCBEQUPZDAMK-KBXIAJHMSA-N 3 0 339.484 -0.452 20 0 EBADRP [NH3+][C@H](Cc1cn(C=O)c2ccccc12)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219697846 810799947 /nfs/dbraw/zinc/79/99/47/810799947.db2.gz YSNXOOJSKFZNDQ-CQSZACIVSA-N 2 0 330.388 -0.610 20 0 EBADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219711511 810803950 /nfs/dbraw/zinc/80/39/50/810803950.db2.gz DPNQMYYZYQBSLY-ARFHVFGLSA-N 2 0 329.404 -0.750 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219736442 810816055 /nfs/dbraw/zinc/81/60/55/810816055.db2.gz CJCYZVQKCHCMJK-AVGNSLFASA-N 2 0 326.441 -0.641 20 0 EBADRP [NH3+][C@@H](Cc1c[nH]c2ncccc12)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219736128 810816271 /nfs/dbraw/zinc/81/62/71/810816271.db2.gz BCHHSIPLQWOBHQ-OCCSQVGLSA-N 2 0 329.404 -0.073 20 0 EBADRP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744543 810820371 /nfs/dbraw/zinc/82/03/71/810820371.db2.gz YMIMCEGZFWXPAU-KGLIPLIRSA-N 2 0 340.468 -0.107 20 0 EBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744277 810820766 /nfs/dbraw/zinc/82/07/66/810820766.db2.gz WIFXUGSDYIGMTP-OLZOCXBDSA-N 2 0 344.481 -0.442 20 0 EBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001219750038 810823674 /nfs/dbraw/zinc/82/36/74/810823674.db2.gz VLVFTQDSWIVULM-GFCCVEGCSA-N 2 0 334.424 -0.454 20 0 EBADRP O=C(C[C@H]1CO[C@]2(C1)CCC[NH2+]C2)NCc1nnc2n1CCC[NH2+]C2 ZINC001219750254 810825418 /nfs/dbraw/zinc/82/54/18/810825418.db2.gz ZBCHWLWKLDRSTG-DYVFJYSZSA-N 2 0 348.451 -0.064 20 0 EBADRP O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001219764674 810831157 /nfs/dbraw/zinc/83/11/57/810831157.db2.gz JSXCQJDOAAQQBL-NCOADZHNSA-N 2 0 335.496 -0.530 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219765004 810832344 /nfs/dbraw/zinc/83/23/44/810832344.db2.gz RMICBQABDVKGQS-XGUBFFRZSA-N 2 0 339.484 -0.726 20 0 EBADRP O=C(NCC[C@H]1C[NH2+]Cc2cccn2C1)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001219789716 810840597 /nfs/dbraw/zinc/84/05/97/810840597.db2.gz XMTGVBRPSSCKDF-SWLSCSKDSA-N 2 0 331.420 -0.808 20 0 EBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219793625 810843667 /nfs/dbraw/zinc/84/36/67/810843667.db2.gz JAHKFYGIQRCRTC-CQSZACIVSA-N 3 0 340.472 -0.905 20 0 EBADRP O=C(NCC[C@H]1CCOC12C[NH2+]C2)C1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001219801151 810849124 /nfs/dbraw/zinc/84/91/24/810849124.db2.gz UKVGJMAEEBWSLR-HOTGVXAUSA-N 2 0 336.480 -0.055 20 0 EBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219803516 810850418 /nfs/dbraw/zinc/85/04/18/810850418.db2.gz WGAXCEQTLGQQGO-KGLIPLIRSA-N 2 0 326.441 -0.495 20 0 EBADRP O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001219813457 810857641 /nfs/dbraw/zinc/85/76/41/810857641.db2.gz UYYPRAPSSPAQLH-ZVZYQTTQSA-N 2 0 348.447 -0.032 20 0 EBADRP O=C(N[C@H]1C[NH2+]Cc2ccsc21)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219822484 810861894 /nfs/dbraw/zinc/86/18/94/810861894.db2.gz CXVPNNBEPBLRIL-QWRGUYRKSA-N 2 0 341.458 -0.215 20 0 EBADRP O=C(N[C@H]1C[NH2+]Cc2ccsc21)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219822483 810862428 /nfs/dbraw/zinc/86/24/28/810862428.db2.gz CXVPNNBEPBLRIL-MNOVXSKESA-N 2 0 341.458 -0.215 20 0 EBADRP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831248 810865431 /nfs/dbraw/zinc/86/54/31/810865431.db2.gz CXYWVJXJUOXXIG-WCVJEAGWSA-N 2 0 347.415 -0.060 20 0 EBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1CC[C@H]2[NH2+]CC[C@H]2O1 ZINC001219833684 810868509 /nfs/dbraw/zinc/86/85/09/810868509.db2.gz GNNOHQWWTGAGNB-IETPZCKNSA-N 2 0 339.436 -0.593 20 0 EBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1[nH]nc2c1C[NH2+]CC2 ZINC001219845295 810875255 /nfs/dbraw/zinc/87/52/55/810875255.db2.gz VSXMCYSXHYIXBN-BZNIZROVSA-N 2 0 335.408 -0.820 20 0 EBADRP C[N@@H+]1C[C@@H](C(=O)N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)OC2(CC[NH2+]CC2)C1 ZINC001219847457 810877512 /nfs/dbraw/zinc/87/75/12/810877512.db2.gz HYHVVIDRNDQSKD-ZQDZILKHSA-N 3 0 338.452 -0.925 20 0 EBADRP COCCn1c(=O)ccc2c1CC[C@H](NC(=O)[C@H]([NH3+])CCC[NH3+])C2 ZINC001219898852 810899252 /nfs/dbraw/zinc/89/92/52/810899252.db2.gz PHEXMVZIJAMRJM-UONOGXRCSA-N 2 0 336.436 -0.466 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CCc2cnn(C)c2)C[C@@H]1O ZINC001219902382 810902840 /nfs/dbraw/zinc/90/28/40/810902840.db2.gz AKCFGOQIACTUKK-CABCVRRESA-N 2 0 337.468 -0.146 20 0 EBADRP O=C(NCC1(N2CCOCC2)CCCCC1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219938692 810916590 /nfs/dbraw/zinc/91/65/90/810916590.db2.gz AGIYCGSOSVIQNT-HNNXBMFYSA-N 2 0 336.480 -0.053 20 0 EBADRP CS(=O)(=O)N(C(=O)C1(N)CC[NH2+]CC1)c1ccc(C[NH3+])cc1 ZINC001219938721 810916648 /nfs/dbraw/zinc/91/66/48/810916648.db2.gz AYXCIUCYLDPOHQ-UHFFFAOYSA-N 2 0 326.422 -0.481 20 0 EBADRP COC(=O)C1(NC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)CC[NH2+]CC1 ZINC001220000987 810940157 /nfs/dbraw/zinc/94/01/57/810940157.db2.gz BJIFZWCJSGYAOK-ZDUSSCGKSA-N 3 0 328.457 -0.107 20 0 EBADRP COC(=O)C1(NC(=O)[C@@H]2CO[C@@]3(C2)CCC[NH2+]CC3)CC[NH2+]CC1 ZINC001220001767 810942111 /nfs/dbraw/zinc/94/21/11/810942111.db2.gz XBQYIKWSQLJYBT-BBRMVZONSA-N 2 0 339.436 -0.053 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N(Cc1ccccc1)C1(C[NH3+])COC1 ZINC001220023271 810953755 /nfs/dbraw/zinc/95/37/55/810953755.db2.gz SVNZSFBOYDQEKW-AWEZNQCLSA-N 3 0 338.477 -0.238 20 0 EBADRP CC(C)(C)OC(=O)C1(NC(=O)[C@H]2[NH2+]CC[C@H]2O)CCC([NH3+])CC1 ZINC001220039531 810956909 /nfs/dbraw/zinc/95/69/09/810956909.db2.gz IRSXPEOSCDIZKJ-QNGPIJNLSA-N 2 0 327.425 -0.193 20 0 EBADRP N=c1cc(C[NH3+])ccn1C(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001220045071 810959079 /nfs/dbraw/zinc/95/90/79/810959079.db2.gz KUPMRLZJQOLSIV-LBPRGKRZSA-N 2 0 338.433 -0.519 20 0 EBADRP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001220163964 811004167 /nfs/dbraw/zinc/00/41/67/811004167.db2.gz XFTYHDQAZRXXMB-IPYPFGDCSA-N 2 0 341.477 -0.198 20 0 EBADRP [NH3+][C@H]1CCCCN(CC(=O)NCc2ncn3c2C[NH2+]CCC3)C1=O ZINC001220311714 811051522 /nfs/dbraw/zinc/05/15/22/811051522.db2.gz PTWKJNYOQSTLFP-LBPRGKRZSA-N 2 0 334.424 -0.668 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220315874 811053529 /nfs/dbraw/zinc/05/35/29/811053529.db2.gz JVERRMJHCLBSTM-WWGRRREGSA-N 2 0 326.441 -0.497 20 0 EBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220319687 811055385 /nfs/dbraw/zinc/05/53/85/811055385.db2.gz IJCFADVKIYGQCG-OFQRWUPVSA-N 2 0 326.441 -0.353 20 0 EBADRP [NH3+][C@@H](C(=O)NCc1ccc(N2CCOCC2)nn1)C1CC[NH2+]CC1 ZINC001220389966 811088335 /nfs/dbraw/zinc/08/83/35/811088335.db2.gz IUNPNLQAARQLDS-OAHLLOKOSA-N 2 0 334.424 -0.744 20 0 EBADRP O=C(Nc1ncc(Br)[nH]c1=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220398971 811093298 /nfs/dbraw/zinc/09/32/98/811093298.db2.gz VDPRQQGHDCYRPK-JMCQJSRRSA-N 2 0 342.197 -0.330 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001220429165 811104114 /nfs/dbraw/zinc/10/41/14/811104114.db2.gz MHDGTMNJNPYNBW-BTJLNZGRSA-N 2 0 330.388 -0.800 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001220429168 811104918 /nfs/dbraw/zinc/10/49/18/811104918.db2.gz MHDGTMNJNPYNBW-ZUCKAHLUSA-N 2 0 330.388 -0.800 20 0 EBADRP COCCOc1ccc(CNC(=O)[C@@H]([NH3+])CSCC[NH3+])cn1 ZINC001220458347 811115323 /nfs/dbraw/zinc/11/53/23/811115323.db2.gz ONLAUUPHHTURHZ-LBPRGKRZSA-N 2 0 328.438 -0.258 20 0 EBADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036212666 811120129 /nfs/dbraw/zinc/12/01/29/811120129.db2.gz YWIASOSIAKSEHZ-OCCSQVGLSA-N 2 0 336.440 -0.630 20 0 EBADRP COCCOCC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220478881 811122117 /nfs/dbraw/zinc/12/21/17/811122117.db2.gz OJPBDUKGBQWAGI-CVEARBPZSA-N 2 0 343.468 -0.457 20 0 EBADRP CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220479337 811122607 /nfs/dbraw/zinc/12/26/07/811122607.db2.gz HVFXFLYRNYGMGE-RYUDHWBXSA-N 2 0 327.425 -0.321 20 0 EBADRP CN(CC[NH3+])CCNC(=O)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001220517414 811134113 /nfs/dbraw/zinc/13/41/13/811134113.db2.gz KKCBNUCJZGNUPX-YJBOKZPZSA-N 2 0 331.464 -0.281 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]C[C@H]2C(=O)OCC)CC[NH2+]C1 ZINC001220523246 811139021 /nfs/dbraw/zinc/13/90/21/811139021.db2.gz KYSACWVXWBWGAF-GHMZBOCLSA-N 2 0 339.392 -0.688 20 0 EBADRP CC(C)([NH3+])CN(C(=O)[C@@H]1C[C@@H]([NH3+])CN1)S(=O)(=O)c1ccccc1 ZINC001220535390 811143238 /nfs/dbraw/zinc/14/32/38/811143238.db2.gz AIBQUYODUNGECE-YPMHNXCESA-N 2 0 340.449 -0.370 20 0 EBADRP COCCOCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220755605 811229672 /nfs/dbraw/zinc/22/96/72/811229672.db2.gz RYFNOZUFPZSYSB-ZNMIVQPWSA-N 2 0 329.441 -0.848 20 0 EBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H](C)CC(C)(C)CC[NH3+] ZINC001220765943 811232498 /nfs/dbraw/zinc/23/24/98/811232498.db2.gz IECSUHAWLLNQPT-SRVKXCTJSA-N 2 0 343.472 -0.789 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001220768644 811234761 /nfs/dbraw/zinc/23/47/61/811234761.db2.gz WPRXLOSACQGVHW-ZNMIVQPWSA-N 2 0 329.441 -0.848 20 0 EBADRP COC(=O)[C@H](Cc1cncn1C)NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220771610 811235601 /nfs/dbraw/zinc/23/56/01/811235601.db2.gz AWXFWTJZQUPDKP-AAEUAGOBSA-N 2 0 325.413 -0.533 20 0 EBADRP NC(=O)NCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220786025 811240892 /nfs/dbraw/zinc/24/08/92/811240892.db2.gz KMWUCVRTCDDNEZ-IHRRRGAJSA-N 2 0 334.424 -0.376 20 0 EBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220789053 811242346 /nfs/dbraw/zinc/24/23/46/811242346.db2.gz IYQVEOCWTSRZMV-IJEWVQPXSA-N 2 0 331.420 -0.202 20 0 EBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220805485 811248436 /nfs/dbraw/zinc/24/84/36/811248436.db2.gz SEBNNOFPHRQOAM-ZDCRXTMVSA-N 2 0 336.358 -0.019 20 0 EBADRP CCOC(=O)C1=C(NC(=O)CC[NH+]2CCC(C(N)=O)CC2)C[NH2+]C1 ZINC001220827613 811257429 /nfs/dbraw/zinc/25/74/29/811257429.db2.gz VGHIHGUFUJLIAE-UHFFFAOYSA-N 2 0 338.408 -0.890 20 0 EBADRP COC(=O)c1cncc(CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001220843045 811264172 /nfs/dbraw/zinc/26/41/72/811264172.db2.gz HYLOBIPARSATDQ-CQSZACIVSA-N 2 0 335.408 -0.765 20 0 EBADRP NC1(C(=O)n2cc(Br)ccc2=NCC[NH3+])CC[NH2+]CC1 ZINC001220870116 811276659 /nfs/dbraw/zinc/27/66/59/811276659.db2.gz GXZWYBNGVIPVJN-UHFFFAOYSA-N 2 0 342.241 -0.169 20 0 EBADRP COC(=O)C[C@@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1ccccn1 ZINC001220900255 811287676 /nfs/dbraw/zinc/28/76/76/811287676.db2.gz FRLGJKWKNBOHIR-CMPLNLGQSA-N 2 0 326.422 -0.179 20 0 EBADRP O=C(NCCO[C@@H]1CC[NH2+]C1)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001220936061 811300554 /nfs/dbraw/zinc/30/05/54/811300554.db2.gz BZXCWWGHBBDIKR-CHWSQXEVSA-N 2 0 334.424 -0.976 20 0 EBADRP [NH3+][C@@H](C(=O)NCc1cccc(N2CCOCC2=O)c1)C1CC[NH2+]CC1 ZINC001220990492 811331580 /nfs/dbraw/zinc/33/15/80/811331580.db2.gz NYPWRXPZVNFXIS-QGZVFWFLSA-N 2 0 346.431 -0.007 20 0 EBADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])CC1 ZINC001221006840 811341999 /nfs/dbraw/zinc/34/19/99/811341999.db2.gz NIIZOEMFEXGRDI-AVGNSLFASA-N 3 0 345.513 -0.889 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC1(CCOC)CCS(=O)(=O)CC1 ZINC001221026509 811350266 /nfs/dbraw/zinc/35/02/66/811350266.db2.gz XTUXUDCNNJZJGK-ZDUSSCGKSA-N 2 0 349.497 -0.197 20 0 EBADRP Cc1nccnc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001221102848 811380528 /nfs/dbraw/zinc/38/05/28/811380528.db2.gz BXZDOTHFPJHULZ-ZFWWWQNUSA-N 2 0 348.451 -0.151 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001221188306 811410948 /nfs/dbraw/zinc/41/09/48/811410948.db2.gz RTYHKBVKNRHGAG-MCIONIFRSA-N 2 0 326.441 -0.543 20 0 EBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@@]2(C)CCC[N@H+](C)C2)COC1(C)C ZINC001221244241 811425234 /nfs/dbraw/zinc/42/52/34/811425234.db2.gz UBYUSNDRGZLSGS-MKBNYLNASA-N 2 0 326.441 -0.102 20 0 EBADRP COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221256913 811427810 /nfs/dbraw/zinc/42/78/10/811427810.db2.gz RBDOMONFPXBLOJ-HACGYAERSA-N 2 0 349.435 -0.790 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC3(CC[NH+](CCO)CC3)[C@H]3COC[C@H]32)C1 ZINC001079273696 811472255 /nfs/dbraw/zinc/47/22/55/811472255.db2.gz MGKIDFQDWDMSHO-HRCADAONSA-N 2 0 337.464 -0.130 20 0 EBADRP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@H+](CCN4CCNC4=O)C[C@H]32)CC1 ZINC001221772472 811531469 /nfs/dbraw/zinc/53/14/69/811531469.db2.gz BPMGKQFFZMZDPS-HUUCEWRRSA-N 2 0 349.479 -0.114 20 0 EBADRP O=C1CN(Cc2cccc(N3CC[NH2+]CC3)c2)[C@@]2(CC[NH2+]C2)CN1 ZINC001222373520 811625312 /nfs/dbraw/zinc/62/53/12/811625312.db2.gz LWLFUCJFSUTRAO-GOSISDBHSA-N 2 0 329.448 -0.240 20 0 EBADRP COCCOC[C@H](O)C[NH+]1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224346265 811758662 /nfs/dbraw/zinc/75/86/62/811758662.db2.gz DMSGGEJNIJAKLX-MRXNPFEDSA-N 2 0 345.484 -0.210 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC2CC[NH+](CC(=O)NC(N)=O)CC2)C1 ZINC001224558123 811765911 /nfs/dbraw/zinc/76/59/11/811765911.db2.gz AYWBTUVTDRYPAZ-GFCCVEGCSA-N 2 0 339.440 -0.649 20 0 EBADRP COC[C@@H](O)C[NH+]1CCC(CNC(=O)COCC[NH+](C)C)CC1 ZINC001225162265 811797798 /nfs/dbraw/zinc/79/77/98/811797798.db2.gz DDKDDPMCSMAWAM-HNNXBMFYSA-N 2 0 331.457 -0.600 20 0 EBADRP C[NH+](C)[C@H](C(=O)NC1CC[NH+](CCN2CCNC2=O)CC1)C1CC1 ZINC001227816653 811942756 /nfs/dbraw/zinc/94/27/56/811942756.db2.gz GUAGCWUPKJHNMM-HNNXBMFYSA-N 2 0 337.468 -0.068 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C)C(=O)NC(N)=O ZINC001228255034 811971321 /nfs/dbraw/zinc/97/13/21/811971321.db2.gz NGWFRQPRQCNQOX-YNEHKIRRSA-N 2 0 341.456 -0.071 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001228376708 811976695 /nfs/dbraw/zinc/97/66/95/811976695.db2.gz AXRXOCKFQYPICK-ZIAGYGMSSA-N 2 0 325.457 -0.020 20 0 EBADRP C[NH+](C)CCC(=O)NC1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC001229007776 812009029 /nfs/dbraw/zinc/00/90/29/812009029.db2.gz FIYHQEQKNPLFBN-UHFFFAOYSA-N 2 0 339.440 -0.539 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC(N)=O ZINC001229212653 812019592 /nfs/dbraw/zinc/01/95/92/812019592.db2.gz AEEZZVXFMXHNPB-JHJVBQTASA-N 2 0 341.456 -0.071 20 0 EBADRP CC[C@@H](C(=O)NC1CC[NH+](CCN(C)S(C)(=O)=O)CC1)[NH+](C)C ZINC001229234330 812022028 /nfs/dbraw/zinc/02/20/28/812022028.db2.gz VKWVTCLFWCEVLH-AWEZNQCLSA-N 2 0 348.513 -0.201 20 0 EBADRP CCN(C(=O)CC[NH+](C)C)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001080442245 812030552 /nfs/dbraw/zinc/03/05/52/812030552.db2.gz RGOYKLVCFGZCMZ-UHFFFAOYSA-N 2 0 328.457 -0.424 20 0 EBADRP C[NH+](C)CCOCC(=O)NC1CC[NH+](CCN2CCCC2=O)CC1 ZINC001230034220 812070398 /nfs/dbraw/zinc/07/03/98/812070398.db2.gz GLNANQYOZCJZOF-UHFFFAOYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)C1 ZINC001230138258 812079071 /nfs/dbraw/zinc/07/90/71/812079071.db2.gz MCYRAJNTWOCQEW-IJLUTSLNSA-N 2 0 325.413 -0.850 20 0 EBADRP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080786241 812232687 /nfs/dbraw/zinc/23/26/87/812232687.db2.gz CNARLEXIDMUFRX-OWCLPIDISA-N 2 0 347.463 -0.224 20 0 EBADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787702 812235092 /nfs/dbraw/zinc/23/50/92/812235092.db2.gz OHKYOIXUQVUKPX-ZIAGYGMSSA-N 2 0 335.452 -0.456 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001080865124 812303032 /nfs/dbraw/zinc/30/30/32/812303032.db2.gz KLBIGTCQTZOJRN-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP C(C[NH+]1CCN(C2=NOC3(C2)CC[NH2+]CC3)CC1)[C@@H]1C[NH2+]CCO1 ZINC001235206650 812473986 /nfs/dbraw/zinc/47/39/86/812473986.db2.gz USSBAGUFFBRFHA-OAHLLOKOSA-N 3 0 337.468 -0.162 20 0 EBADRP OC[C@H]1CN(Cc2cnc3cc(C4CC[NH2+]CC4)nn3c2)CC[NH2+]1 ZINC001235752363 812512809 /nfs/dbraw/zinc/51/28/09/812512809.db2.gz NPPWBRGKQYNRHM-OAHLLOKOSA-N 2 0 330.436 -0.038 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](Cc3c[nH]c(=O)[nH]c3=O)C[C@H]1C2 ZINC001236032680 812515578 /nfs/dbraw/zinc/51/55/78/812515578.db2.gz XCKQJMSERHSOAJ-WKCLZBRGSA-N 2 0 334.376 -0.282 20 0 EBADRP CSc1ncc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(N)n1 ZINC001236311924 812517291 /nfs/dbraw/zinc/51/72/91/812517291.db2.gz XTHOGKYTHKDXPE-UHFFFAOYSA-N 2 0 341.485 -0.604 20 0 EBADRP COC(=O)c1cncc(S(=O)(=O)NCCC[NH2+]CCC[NH3+])c1 ZINC001238878244 812534724 /nfs/dbraw/zinc/53/47/24/812534724.db2.gz AIHZNLWYLPYZNB-UHFFFAOYSA-N 2 0 330.410 -0.525 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1S(=O)(=O)CC1CC[NH2+]CC1 ZINC001239062585 812539743 /nfs/dbraw/zinc/53/97/43/812539743.db2.gz PIYLTLAMHPFSBH-MELADBBJSA-N 2 0 345.465 -0.459 20 0 EBADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(S(=O)(=O)CC[NH3+])C2 ZINC001239077338 812541419 /nfs/dbraw/zinc/54/14/19/812541419.db2.gz GPBDAKNCXXZKOW-HUUCEWRRSA-N 2 0 331.482 -0.045 20 0 EBADRP COC(=O)/C=C/c1cccc(S(=O)(=O)N(CC[NH3+])CC[NH3+])c1 ZINC001239096134 812544599 /nfs/dbraw/zinc/54/45/99/812544599.db2.gz CNEGXLQXLLNGIE-AATRIKPKSA-N 2 0 327.406 -0.219 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001245978522 812557423 /nfs/dbraw/zinc/55/74/23/812557423.db2.gz NBMSKBALFDTUQO-NPJQDHAYSA-N 2 0 327.375 -0.086 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001245978655 812557551 /nfs/dbraw/zinc/55/75/51/812557551.db2.gz OFVWQIZSCPHOFX-HCXYKTFWSA-N 3 0 349.475 -0.098 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@]1(CCO)CC[NH2+]C1 ZINC001245996461 812558076 /nfs/dbraw/zinc/55/80/76/812558076.db2.gz RDUVLOJASCBFQG-ARFHVFGLSA-N 2 0 329.391 -0.100 20 0 EBADRP O[C@@H](C[NH2+][C@@H]1CCN(C2CC[NH2+]CC2)C1)CC1(O)CC[NH2+]CC1 ZINC001246007452 812558277 /nfs/dbraw/zinc/55/82/77/812558277.db2.gz UALISJYDRCEANF-GDBMZVCRSA-N 3 0 326.485 -0.732 20 0 EBADRP NC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@@H](O)COc1ccc(CCO)cc1 ZINC001246009317 812559943 /nfs/dbraw/zinc/55/99/43/812559943.db2.gz SLBCORYKFJUCSR-ZBFHGGJFSA-N 2 0 339.436 -0.466 20 0 EBADRP CCOC(=O)[C@]12C[N@H+](C[C@@H](O)CN3CCOCC3)C[C@H]1C[NH2+]CC2 ZINC001246046432 812560905 /nfs/dbraw/zinc/56/09/05/812560905.db2.gz NIMIMFJIUXIMJF-HLLBOEOZSA-N 2 0 341.452 -0.846 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001246033732 812561203 /nfs/dbraw/zinc/56/12/03/812561203.db2.gz ORFPMSADSHLPFM-OTWHNJEPSA-N 2 0 349.475 -0.002 20 0 EBADRP Cc1ccccc1OC[C@@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246057066 812562229 /nfs/dbraw/zinc/56/22/29/812562229.db2.gz RRZADABRACDWOM-KRWDZBQOSA-N 2 0 336.480 -0.181 20 0 EBADRP O[C@]1(C[N@H+](CCN2CCOCC2)CC2CC[NH2+]CC2)CC[NH2+]C1 ZINC001246064172 812562397 /nfs/dbraw/zinc/56/23/97/812562397.db2.gz QPPRBFIBQIJSEW-QGZVFWFLSA-N 3 0 326.485 -0.655 20 0 EBADRP COc1cccc([C@@H](O)CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001246057501 812562549 /nfs/dbraw/zinc/56/25/49/812562549.db2.gz ZMXDZUIHNPOSSR-INIZCTEOSA-N 2 0 338.452 -0.156 20 0 EBADRP O=C([C@@H]1C[C@@H]([NH2+]CCCCN2CC[NH2+]CC2)CN1)N1CCSC1 ZINC001246085661 812564280 /nfs/dbraw/zinc/56/42/80/812564280.db2.gz AJURPJOZIABBCH-CABCVRRESA-N 2 0 341.525 -0.475 20 0 EBADRP CC[C@@]1(C(=O)OC)C[C@H]([NH2+]CC2(C(=O)OC)CC[NH2+]CC2)CN1 ZINC001246095913 812564491 /nfs/dbraw/zinc/56/44/91/812564491.db2.gz GZBCNPJVJCZRJH-LRDDRELGSA-N 2 0 327.425 -0.198 20 0 EBADRP O=S(=O)(CC[NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1)N1CCNCC1 ZINC001246099287 812564940 /nfs/dbraw/zinc/56/49/40/812564940.db2.gz GMSXKJDEBJXFCY-LSDHHAIUSA-N 2 0 330.498 -0.267 20 0 EBADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CN1 ZINC001246144541 812565760 /nfs/dbraw/zinc/56/57/60/812565760.db2.gz MYZZPKHMWCHNDB-JKQORVJESA-N 2 0 341.452 -0.345 20 0 EBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CCN1 ZINC001246143908 812566094 /nfs/dbraw/zinc/56/60/94/812566094.db2.gz KCEZHCVJUILAAG-NYTXWWLZSA-N 2 0 327.425 -0.735 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])NC1C[C@H]2CC(C(=O)OC)C[C@@H](C1)[NH2+]2 ZINC001246402456 812571996 /nfs/dbraw/zinc/57/19/96/812571996.db2.gz WNYDLIQWIIVUOQ-XGVQBZMBSA-N 2 0 327.425 -0.071 20 0 EBADRP CNC(=O)[C@H](CCCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)NC(C)=O ZINC001246403823 812572047 /nfs/dbraw/zinc/57/20/47/812572047.db2.gz DQXIJGOTWGJSBF-KGLIPLIRSA-N 2 0 325.457 -0.909 20 0 EBADRP COC(=O)[C@H]1C[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCCC2)CN1 ZINC001246522006 812575426 /nfs/dbraw/zinc/57/54/26/812575426.db2.gz YKKKOWIUJYKFLR-HZSPNIEDSA-N 2 0 326.441 -0.401 20 0 EBADRP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCCC2)CN1 ZINC001246522008 812575551 /nfs/dbraw/zinc/57/55/51/812575551.db2.gz YKKKOWIUJYKFLR-IHRRRGAJSA-N 2 0 326.441 -0.401 20 0 EBADRP O=C([C@@H]1C[C@@H](N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)C[NH2+]1)N1CCSC1 ZINC001246632636 812578002 /nfs/dbraw/zinc/57/80/02/812578002.db2.gz YOTKECIGDKVKEK-APIJFGDWSA-N 2 0 340.493 -0.440 20 0 EBADRP O=C([C@@H]1C[C@@H](N2CCO[C@H]3CC[NH2+]C[C@@H]32)C[NH2+]1)N1CCSC1 ZINC001246667483 812579438 /nfs/dbraw/zinc/57/94/38/812579438.db2.gz ZYSXXVMKDMDEKO-RFGFWPKPSA-N 2 0 326.466 -0.688 20 0 EBADRP O=C([C@@H]1C[C@H](N2CCO[C@H]3C[NH2+]CC[C@@H]32)C[NH2+]1)N1CCSC1 ZINC001246668587 812580496 /nfs/dbraw/zinc/58/04/96/812580496.db2.gz ZILAREPOBGPQHR-XUXIUFHCSA-N 2 0 326.466 -0.688 20 0 EBADRP COC(=O)[C@@H]1CC[C@H]([NH+]2CCC(C(=O)N3CC[NH2+]CC3)CC2)CN1 ZINC001246674093 812580914 /nfs/dbraw/zinc/58/09/14/812580914.db2.gz NJHNLHHUYQHGAN-GJZGRUSLSA-N 2 0 338.452 -0.576 20 0 EBADRP c1cnc(N2CCO[C@H]3C[N@@H+]([C@H]4CCNC5(C[NH2+]C5)C4)C[C@H]32)cn1 ZINC001246717817 812582837 /nfs/dbraw/zinc/58/28/37/812582837.db2.gz WNWZAYAKCSTMGZ-ZNMIVQPWSA-N 2 0 330.436 -0.540 20 0 EBADRP O=C(C[C@]12COC[C@H]1C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2)NCC1CC1 ZINC001246745536 812586234 /nfs/dbraw/zinc/58/62/34/812586234.db2.gz PNQOSOVJRBVCCQ-RYRKJORJSA-N 2 0 348.491 -0.055 20 0 EBADRP CC(C)NC(=O)c1nn([C@@H]2CCNC3(C[NH2+]C3)C2)c2c1C[NH2+]CC2 ZINC001246753159 812586565 /nfs/dbraw/zinc/58/65/65/812586565.db2.gz BNLZYSMQMAWKBT-GFCCVEGCSA-N 2 0 332.452 -0.067 20 0 EBADRP O=C1C[C@@]2(CC[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)CN1c1cncnc1 ZINC001246772955 812588052 /nfs/dbraw/zinc/58/80/52/812588052.db2.gz CKUXSKFCCJXPBL-WMLDXEAASA-N 2 0 342.447 -0.001 20 0 EBADRP COC(=O)C[C@@H]1C[NH2+]CCN1[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246817914 812588863 /nfs/dbraw/zinc/58/88/63/812588863.db2.gz OHHCRTZIAPZAPU-UPJWGTAASA-N 2 0 342.465 -0.913 20 0 EBADRP COC(=O)[C@H]1C[C@H]([N@@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)CN1 ZINC001246859656 812590114 /nfs/dbraw/zinc/59/01/14/812590114.db2.gz QJBQKSKBXXBKBS-AEMQQVFBSA-N 2 0 337.420 -0.780 20 0 EBADRP O=C([C@@H]1C[C@@H](N2CC(O)([C@@H]3CCCC[NH2+]3)C2)C[NH2+]1)N1CCSC1 ZINC001246898277 812591671 /nfs/dbraw/zinc/59/16/71/812591671.db2.gz MIJOLULODITHCC-RDBSUJKOSA-N 2 0 340.493 -0.561 20 0 EBADRP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])[C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001246925103 812592657 /nfs/dbraw/zinc/59/26/57/812592657.db2.gz LKVPRMGQEZOVTF-ZIAGYGMSSA-N 2 0 338.460 -0.727 20 0 EBADRP COC(=O)[C@H]1CN(C2C[C@H]3CC(C(=O)OC)C[C@@H](C2)[NH2+]3)C[C@@H]1[NH3+] ZINC001246935087 812592738 /nfs/dbraw/zinc/59/27/38/812592738.db2.gz XWTDPSHRMJRZTP-VISZPZFWSA-N 2 0 325.409 -0.509 20 0 EBADRP COC(=O)C1C[C@@H]2CC(N3CC[C@](N)(C(=O)OC)C3)C[C@H](C1)[NH2+]2 ZINC001246928471 812593443 /nfs/dbraw/zinc/59/34/43/812593443.db2.gz ZZCDIKKXWXCSKZ-DTMKNQSTSA-N 2 0 325.409 -0.365 20 0 EBADRP COCCCN([C@H]1CC[NH2+]C1)[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246979097 812593844 /nfs/dbraw/zinc/59/38/44/812593844.db2.gz MDCUSGFHZVDPGQ-KKUMJFAQSA-N 2 0 342.509 -0.050 20 0 EBADRP CCOC(=O)CN1CCC([NH2+]CCN(CC[NH3+])N(O)N=O)CC1 ZINC001254398252 812703694 /nfs/dbraw/zinc/70/36/94/812703694.db2.gz YHDCVPZVJOIMDO-UHFFFAOYSA-N 2 0 332.405 -0.848 20 0 EBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN([C@@H]1CC[N@H+](C)C1)CC2 ZINC001255433287 812713062 /nfs/dbraw/zinc/71/30/62/812713062.db2.gz XBPCDFZUAIOBCV-MRXNPFEDSA-N 2 0 337.512 -0.139 20 0 EBADRP CC[NH+]1CCN(CCCNC(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC001261643364 812957999 /nfs/dbraw/zinc/95/79/99/812957999.db2.gz QQQPSDMKLVBHSB-UHFFFAOYSA-N 2 0 349.483 -0.040 20 0 EBADRP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CC[C@H](C[NH3+])C3)cn2)CC1 ZINC001262034739 813029840 /nfs/dbraw/zinc/02/98/40/813029840.db2.gz MEGCUZXOJAZHLE-GFCCVEGCSA-N 2 0 334.424 -0.105 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081498520 813070067 /nfs/dbraw/zinc/07/00/67/813070067.db2.gz BPDOQPHXFLTPOD-GJZGRUSLSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001262542109 813090908 /nfs/dbraw/zinc/09/09/08/813090908.db2.gz QGGWSOPLTDJXRI-ZENOOKHLSA-N 2 0 326.441 -0.712 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1O ZINC001081505453 813093694 /nfs/dbraw/zinc/09/36/94/813093694.db2.gz GKMWLUCOXAGPSU-HUUCEWRRSA-N 2 0 342.484 -0.395 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H]1C[NH3+] ZINC001262547901 813093843 /nfs/dbraw/zinc/09/38/43/813093843.db2.gz GKOREDCOPGJRIX-UMVBOHGHSA-N 2 0 338.452 -0.591 20 0 EBADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001262569310 813097049 /nfs/dbraw/zinc/09/70/49/813097049.db2.gz VESYXHBREIIUNA-IRXDYDNUSA-N 3 0 327.517 -0.790 20 0 EBADRP C[C@H]1CN(CCO)CCN1C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001262593551 813097833 /nfs/dbraw/zinc/09/78/33/813097833.db2.gz WUAPBTSKYDUFHH-INIZCTEOSA-N 2 0 341.500 -0.230 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081506753 813099187 /nfs/dbraw/zinc/09/91/87/813099187.db2.gz WLAOGSUWVFNNNI-GJZGRUSLSA-N 2 0 340.468 -0.641 20 0 EBADRP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001263133125 813108269 /nfs/dbraw/zinc/10/82/69/813108269.db2.gz MJNFOJLSTOHBFA-CQSZACIVSA-N 2 0 340.468 -0.247 20 0 EBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC001263777066 813116962 /nfs/dbraw/zinc/11/69/62/813116962.db2.gz ZKKUKPAPPJXKMC-CVEARBPZSA-N 2 0 337.512 -0.093 20 0 EBADRP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)[C@@H]1C)[NH+](C)C ZINC001264161452 813159298 /nfs/dbraw/zinc/15/92/98/813159298.db2.gz LDAAHCVAFAZFSV-AGIUHOORSA-N 2 0 339.440 -0.543 20 0 EBADRP CC(C)[NH+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001081554607 813170875 /nfs/dbraw/zinc/17/08/75/813170875.db2.gz XIZUQYZLGHAPPZ-LSDHHAIUSA-N 2 0 342.484 -0.398 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001081556364 813174485 /nfs/dbraw/zinc/17/44/85/813174485.db2.gz NLCRDBMSWFIBGT-KBPBESRZSA-N 2 0 340.468 -0.642 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001081564023 813189909 /nfs/dbraw/zinc/18/99/09/813189909.db2.gz FKWBGMNTEHYMSO-HIFRSBDPSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1O ZINC001081571206 813207270 /nfs/dbraw/zinc/20/72/70/813207270.db2.gz GIXRPYHFUUQIFD-ZIAGYGMSSA-N 2 0 342.484 -0.396 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001265001522 813216256 /nfs/dbraw/zinc/21/62/56/813216256.db2.gz ZRVLXMKCMUVHQQ-STQMWFEESA-N 2 0 341.456 -0.247 20 0 EBADRP CC(C)[C@H](C(=O)NCCC[N@H+](C)[C@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001265032361 813224887 /nfs/dbraw/zinc/22/48/87/813224887.db2.gz STHDLCZDTGBGJG-GXTWGEPZSA-N 2 0 326.441 -0.184 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)CC(=O)NC(N)=O ZINC001265073048 813235887 /nfs/dbraw/zinc/23/58/87/813235887.db2.gz OAHFTQMSFGRSAY-LBPRGKRZSA-N 2 0 327.429 -0.506 20 0 EBADRP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CCN1CCNC1=O ZINC001265103914 813239066 /nfs/dbraw/zinc/23/90/66/813239066.db2.gz BMVDZRZEYUHTQX-AWEZNQCLSA-N 2 0 325.457 -0.066 20 0 EBADRP CC(=O)NCCOCC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001265288058 813292062 /nfs/dbraw/zinc/29/20/62/813292062.db2.gz NBUASJQKBKTROA-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@H]1O ZINC001081635133 813339595 /nfs/dbraw/zinc/33/95/95/813339595.db2.gz QBKRFMGUHQMXJS-HUUCEWRRSA-N 2 0 342.484 -0.396 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCC[C@H](C(=O)NCC[NH2+]CCO)C1)[NH+](C)C ZINC001265881775 813402407 /nfs/dbraw/zinc/40/24/07/813402407.db2.gz OPPQZNRLVQDSQM-GJZGRUSLSA-N 2 0 342.484 -0.491 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001265903378 813410526 /nfs/dbraw/zinc/41/05/26/813410526.db2.gz OZUVYKJQLFCTBJ-KBPBESRZSA-N 2 0 346.497 -0.401 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001265910930 813411597 /nfs/dbraw/zinc/41/15/97/813411597.db2.gz VJZNPRXSBJSJAE-ZDUSSCGKSA-N 2 0 346.497 -0.400 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001266005507 813437208 /nfs/dbraw/zinc/43/72/08/813437208.db2.gz ZQPKGDNCXONHIP-KGLIPLIRSA-N 2 0 331.482 -0.047 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001081700949 813438421 /nfs/dbraw/zinc/43/84/21/813438421.db2.gz NTYMEAQATUAQTE-ZIAGYGMSSA-N 2 0 340.468 -0.785 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081701394 813439694 /nfs/dbraw/zinc/43/96/94/813439694.db2.gz VKVKHOUQTPLGFX-CABCVRRESA-N 2 0 342.484 -0.395 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001081703649 813442381 /nfs/dbraw/zinc/44/23/81/813442381.db2.gz SUYNDWHYRXFHDF-HUUCEWRRSA-N 2 0 342.484 -0.396 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001266079963 813452474 /nfs/dbraw/zinc/45/24/74/813452474.db2.gz XBSWANZLMIMAMN-ZIAGYGMSSA-N 2 0 348.513 -0.107 20 0 EBADRP C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]CCN1C(=O)CNC1=O ZINC001266173308 813471484 /nfs/dbraw/zinc/47/14/84/813471484.db2.gz YKVFWUVKQGCBSO-LBPRGKRZSA-N 2 0 339.440 -0.636 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081733120 813488912 /nfs/dbraw/zinc/48/89/12/813488912.db2.gz PICBLOUVCJFBMI-KBPBESRZSA-N 2 0 342.484 -0.396 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001266562216 813609201 /nfs/dbraw/zinc/60/92/01/813609201.db2.gz RDSSJVZRVJJEBY-ZDUSSCGKSA-N 2 0 339.440 -0.539 20 0 EBADRP O=C(N[C@@H]1C[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001266632365 813627512 /nfs/dbraw/zinc/62/75/12/813627512.db2.gz BYPITFSKMCDNCQ-JOCQHMNTSA-N 2 0 349.435 -0.739 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001266756864 813662972 /nfs/dbraw/zinc/66/29/72/813662972.db2.gz DDJICSZYSCZKKQ-UONOGXRCSA-N 2 0 338.452 -0.040 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[NH2+]CCN1CCNC1=O ZINC001267109707 813761997 /nfs/dbraw/zinc/76/19/97/813761997.db2.gz KFTCRURUZGXXBP-KBPBESRZSA-N 2 0 325.457 -0.068 20 0 EBADRP O=C(NC[C@@H]1CCC[N@H+]1CCOCCO)[C@H]1C[NH+]2CCC1CC2 ZINC001267266257 813809666 /nfs/dbraw/zinc/80/96/66/813809666.db2.gz CBVPJADKWYJRCG-HOTGVXAUSA-N 2 0 325.453 -0.082 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+]1CCN1C(=O)CCC1=O ZINC001267282444 813820014 /nfs/dbraw/zinc/82/00/14/813820014.db2.gz QRKGIBFCZKGDTC-AWEZNQCLSA-N 2 0 336.436 -0.188 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CC(=O)NC(=O)NCC ZINC001267380085 813867280 /nfs/dbraw/zinc/86/72/80/813867280.db2.gz HHJOVPGPUSZHFE-CYBMUJFWSA-N 2 0 341.456 -0.246 20 0 EBADRP CN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)CC[NH+]1CCCCC1 ZINC001267473326 813910946 /nfs/dbraw/zinc/91/09/46/813910946.db2.gz JOHBZVGNWBOKDO-UHFFFAOYSA-N 2 0 340.468 -0.231 20 0 EBADRP CO[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001082368701 813923518 /nfs/dbraw/zinc/92/35/18/813923518.db2.gz LAJLZGUWJBFSFS-BZUAXINKSA-N 2 0 348.447 -0.348 20 0 EBADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001082798352 814008962 /nfs/dbraw/zinc/00/89/62/814008962.db2.gz PCLXIECPVOJIJW-VHDGCEQUSA-N 2 0 348.451 -0.617 20 0 EBADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001082862098 814017723 /nfs/dbraw/zinc/01/77/23/814017723.db2.gz YRMMYWHFKWVWDZ-JHJVBQTASA-N 2 0 336.440 -0.613 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CCC(CC[NH2+]CC(N)=O)CC2)CC1 ZINC001267916732 814068742 /nfs/dbraw/zinc/06/87/42/814068742.db2.gz IVFWJXFRCLPQAE-UHFFFAOYSA-N 2 0 340.468 -0.199 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCNS(C)(=O)=O)[NH+](C)C ZINC001267969559 814080362 /nfs/dbraw/zinc/08/03/62/814080362.db2.gz JNHCONZIDJAVCK-CHWSQXEVSA-N 2 0 334.486 -0.544 20 0 EBADRP Cc1noc(CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001268318887 814195589 /nfs/dbraw/zinc/19/55/89/814195589.db2.gz CTHJHVGKANPGSJ-KBPBESRZSA-N 2 0 339.440 -0.138 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001268371363 814224675 /nfs/dbraw/zinc/22/46/75/814224675.db2.gz QOBMRHJJQSZWGX-QWHCGFSZSA-N 2 0 338.456 -0.033 20 0 EBADRP C[C@H](CC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001268420344 814238051 /nfs/dbraw/zinc/23/80/51/814238051.db2.gz WWCWOWSAWLELMG-ABAIWWIYSA-N 2 0 325.413 -0.848 20 0 EBADRP CCN(CC[NH2+]CC(=O)N(C)C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001268497829 814265758 /nfs/dbraw/zinc/26/57/58/814265758.db2.gz IUCNFTRYPIYYLD-AWEZNQCLSA-N 2 0 328.457 -0.519 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C/C[NH2+][C@H]1CCC(=O)NC1=O ZINC001268551770 814288140 /nfs/dbraw/zinc/28/81/40/814288140.db2.gz FKMJHCOXICSSBI-DHMVDLOISA-N 2 0 336.436 -0.072 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C\C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268551772 814288598 /nfs/dbraw/zinc/28/85/98/814288598.db2.gz FKMJHCOXICSSBI-DTSKHDKYSA-N 2 0 336.436 -0.072 20 0 EBADRP CN(CCC[NH2+]CC(=O)NC(=O)NC1CC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268783557 814385358 /nfs/dbraw/zinc/38/53/58/814385358.db2.gz KGRUGJOTKLWTTG-ZDUSSCGKSA-N 2 0 339.440 -0.493 20 0 EBADRP O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001083523208 814521874 /nfs/dbraw/zinc/52/18/74/814521874.db2.gz SEBCCUITIINPFV-PMPSAXMXSA-N 2 0 341.452 -0.827 20 0 EBADRP O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001083523762 814522525 /nfs/dbraw/zinc/52/25/25/814522525.db2.gz RHQTWHXHJIVZNO-OAGGEKHMSA-N 2 0 325.453 -0.063 20 0 EBADRP C[NH+](C)C1(C(=O)NCC2([NH2+]CCN3C(=O)CCC3=O)CC2)CCC1 ZINC001269423240 814685208 /nfs/dbraw/zinc/68/52/08/814685208.db2.gz SGPSHBXFAGTPHH-UHFFFAOYSA-N 2 0 336.436 -0.142 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]CCNS(C)(=O)=O)CC1 ZINC001270017354 815662341 /nfs/dbraw/zinc/66/23/41/815662341.db2.gz DUKFJQJPOFGPQJ-JOCQHMNTSA-N 2 0 334.486 -0.496 20 0 EBADRP CC[NH+](CC)CCC(=O)N1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001270533729 815807228 /nfs/dbraw/zinc/80/72/28/815807228.db2.gz HLIMMXVRGJWWLA-UHFFFAOYSA-N 2 0 340.468 -0.280 20 0 EBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]CCCS(C)(=O)=O ZINC001270566829 815814949 /nfs/dbraw/zinc/81/49/49/815814949.db2.gz DEOCOWIWQBVGKE-ZDUSSCGKSA-N 2 0 331.482 -0.141 20 0 EBADRP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1C[C@H]2CC[N@@H+](CCCO)C[C@H]21 ZINC001084532954 815933210 /nfs/dbraw/zinc/93/32/10/815933210.db2.gz XQLUOPQEMVNLEE-YLADIXGZSA-N 2 0 335.448 -0.235 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[NH+](CCN4CCNC4=O)C[C@H]32)C1 ZINC001084775882 815980015 /nfs/dbraw/zinc/98/00/15/815980015.db2.gz XSPHHGLKOUSXNX-BZUAXINKSA-N 2 0 349.479 -0.114 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]2CC[N@H+](CCCO)C[C@H]21 ZINC001084834109 815991682 /nfs/dbraw/zinc/99/16/82/815991682.db2.gz LVEYTZHJDRXBQW-ARFHVFGLSA-N 2 0 325.453 -0.130 20 0 EBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CCN1CCNC1=O ZINC001271661277 816176958 /nfs/dbraw/zinc/17/69/58/816176958.db2.gz XXYYXPXOJCFAFJ-KBPBESRZSA-N 2 0 325.457 -0.353 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001086047533 816215286 /nfs/dbraw/zinc/21/52/86/816215286.db2.gz UHSSXKBWQODHBK-XQQFMLRXSA-N 2 0 337.424 -0.883 20 0 EBADRP Cc1nnc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)[nH]1 ZINC001086091829 816226622 /nfs/dbraw/zinc/22/66/22/816226622.db2.gz PBKWLUUOTVZKJD-LXTVHRRPSA-N 2 0 348.451 -0.039 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nc1=O ZINC001086087878 816226778 /nfs/dbraw/zinc/22/67/78/816226778.db2.gz TWRVZSQFPOSOGI-KWCYVHTRSA-N 2 0 348.451 -0.565 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](CNC(=O)C34CCC[NH+]3CCC4)C2)nc1=O ZINC001086137121 816244144 /nfs/dbraw/zinc/24/41/44/816244144.db2.gz OSXOKKCRSZWXPZ-BETUJISGSA-N 2 0 348.451 -0.279 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H](C)C(N)=O)C2)C1 ZINC001086177547 816260387 /nfs/dbraw/zinc/26/03/87/816260387.db2.gz YRABLHZMGCRGMG-IGQOVBAYSA-N 2 0 326.441 -0.546 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+][C@H](C)C(N)=O)C2)C1 ZINC001086177549 816261453 /nfs/dbraw/zinc/26/14/53/816261453.db2.gz YRABLHZMGCRGMG-YIYPIFLZSA-N 2 0 326.441 -0.546 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001086324673 816297551 /nfs/dbraw/zinc/29/75/51/816297551.db2.gz INMJXMFKTKPJAV-MGPQQGTHSA-N 2 0 336.436 -0.286 20 0 EBADRP Cn1ncc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)n1 ZINC001086373182 816310565 /nfs/dbraw/zinc/31/05/65/816310565.db2.gz ORXPCIYOILJHQW-RRCSTGOVSA-N 2 0 348.451 -0.337 20 0 EBADRP CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)CCN1C(=O)CNC1=O)[NH+](C)C ZINC001272158421 816331260 /nfs/dbraw/zinc/33/12/60/816331260.db2.gz KBQPGVBQRRIBJN-AWEZNQCLSA-N 2 0 341.456 -0.485 20 0 EBADRP CNC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001272294784 816388765 /nfs/dbraw/zinc/38/87/65/816388765.db2.gz CYPDCQVXIMIBLG-KBPBESRZSA-N 2 0 328.457 -0.737 20 0 EBADRP Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001086792720 816406871 /nfs/dbraw/zinc/40/68/71/816406871.db2.gz HFBFJJPNQAAFDF-GXTWGEPZSA-N 2 0 335.456 -0.074 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CCO)C2)C1 ZINC001086997040 816440324 /nfs/dbraw/zinc/44/03/24/816440324.db2.gz IAQNRKZYTCXRCG-VNQPRFMTSA-N 2 0 335.452 -0.362 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H](O)C[NH2+]CCN2CCCC2=O)C1 ZINC001272519627 816453749 /nfs/dbraw/zinc/45/37/49/816453749.db2.gz CRHRSVVLBVDEMF-UONOGXRCSA-N 2 0 326.441 -0.983 20 0 EBADRP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@H+](C[C@H]3CCC(=O)N3)C2)C1=O ZINC001272524611 816457744 /nfs/dbraw/zinc/45/77/44/816457744.db2.gz KXDSZRARWDYODS-DYVFJYSZSA-N 2 0 336.436 -0.332 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001272534409 816462207 /nfs/dbraw/zinc/46/22/07/816462207.db2.gz OLMRYSGIVLJFTN-OLZOCXBDSA-N 2 0 339.440 -0.506 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@@H](CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001272543949 816467880 /nfs/dbraw/zinc/46/78/80/816467880.db2.gz GZQYKSYDXUCDBH-KGLIPLIRSA-N 2 0 338.452 -0.038 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001272543950 816468168 /nfs/dbraw/zinc/46/81/68/816468168.db2.gz GZQYKSYDXUCDBH-UONOGXRCSA-N 2 0 338.452 -0.038 20 0 EBADRP CCn1cc(CC[NH2+]C[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)cn1 ZINC001272560097 816475245 /nfs/dbraw/zinc/47/52/45/816475245.db2.gz ODBFXEHHQVEFMG-OAHLLOKOSA-N 2 0 335.452 -0.392 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001272565836 816477841 /nfs/dbraw/zinc/47/78/41/816477841.db2.gz SFZFXUNDLDRAQF-MRXNPFEDSA-N 2 0 337.512 -0.282 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCc2nc(C[NH2+]C[C@@H]3CCOC3)cc(=O)[nH]2)C1 ZINC001087261919 816495259 /nfs/dbraw/zinc/49/52/59/816495259.db2.gz GVSKNWJKJMWWKV-QWHCGFSZSA-N 2 0 349.435 -0.124 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001272641525 816499658 /nfs/dbraw/zinc/49/96/58/816499658.db2.gz JMSPRPYGRCHUBC-AWEZNQCLSA-N 2 0 346.497 -0.540 20 0 EBADRP CCN1CCO[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CC(=O)N(C)C)C2)C1 ZINC001272642811 816499666 /nfs/dbraw/zinc/49/96/66/816499666.db2.gz XYYNSTQEDKCGMQ-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@H](CC[NH2+]CC(=O)NC(N)=O)NC(=O)CC[NH+]1CCCCC1 ZINC001273201090 816608288 /nfs/dbraw/zinc/60/82/88/816608288.db2.gz ARDPSFCPGZBSDZ-GFCCVEGCSA-N 2 0 327.429 -0.458 20 0 EBADRP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@H+](Cc3cnc(N)nc3)C2)C1=O ZINC001273304866 816638409 /nfs/dbraw/zinc/63/84/09/816638409.db2.gz SRWKJVRNMNQKEG-QGZVFWFLSA-N 2 0 346.435 -0.039 20 0 EBADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)CC[C@@H]2C1 ZINC001088201171 816647849 /nfs/dbraw/zinc/64/78/49/816647849.db2.gz ORHLDMRTAZRRES-QLFBSQMISA-N 2 0 348.447 -0.332 20 0 EBADRP CN(CCC[N@H+](C)CCN1C(=O)CCC1=O)C(=O)[C@H]1CC[NH+](C)C1 ZINC001273591632 816703480 /nfs/dbraw/zinc/70/34/80/816703480.db2.gz YKZDRSINPTWXPE-AWEZNQCLSA-N 2 0 338.452 -0.133 20 0 EBADRP CCN(CC[NH2+]CCN1CCCS1(=O)=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001273752621 816750223 /nfs/dbraw/zinc/75/02/23/816750223.db2.gz IRXAVAHEENEIME-CQSZACIVSA-N 2 0 346.497 -0.588 20 0 EBADRP CCN(CC[NH2+]CC(=O)NC(N)=O)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001273771811 816755793 /nfs/dbraw/zinc/75/57/93/816755793.db2.gz MLWXDOZASUJMEH-LBPRGKRZSA-N 2 0 327.429 -0.506 20 0 EBADRP CN(C)C(=O)CC[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273838578 816781928 /nfs/dbraw/zinc/78/19/28/816781928.db2.gz VRFHVLVDFPLQTC-INIZCTEOSA-N 2 0 326.441 -0.670 20 0 EBADRP CCOC(=O)C[C@H](O)C[N@@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001273899158 816802589 /nfs/dbraw/zinc/80/25/89/816802589.db2.gz TZCCFMAXSUIDKZ-YOEHRIQHSA-N 2 0 341.452 -0.071 20 0 EBADRP COC(=O)CC[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001273966805 816826184 /nfs/dbraw/zinc/82/61/84/816826184.db2.gz ZHDAEUOYZGRJIW-INIZCTEOSA-N 2 0 325.409 -0.048 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CCN1C(=O)CNC1=O ZINC001274132590 816877264 /nfs/dbraw/zinc/87/72/64/816877264.db2.gz BPNQYZOBBIQGEP-OOPCZODUSA-N 2 0 337.424 -0.716 20 0 EBADRP Cc1cncn1CC(=O)NC/C=C/C[NH2+]CC(=O)NC1CCOCC1 ZINC001274201682 816893871 /nfs/dbraw/zinc/89/38/71/816893871.db2.gz DBUJOVHTDNONBE-NSCUHMNNSA-N 2 0 349.435 -0.251 20 0 EBADRP CC[C@@H](C(=O)NC/C=C\C[NH2+][C@H](C)C(=O)NC(=O)NC)[NH+](C)C ZINC001274371606 816942910 /nfs/dbraw/zinc/94/29/10/816942910.db2.gz XTWDUULIKYZZSJ-WZIXFXTNSA-N 2 0 327.429 -0.567 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CCO)CC3(CCOCC3)C2)C1 ZINC001089969480 816957555 /nfs/dbraw/zinc/95/75/55/816957555.db2.gz UFEQQYXYVNIWGO-CABCVRRESA-N 2 0 325.453 -0.082 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC/C=C/C[NH2+]Cc1cnnn1C ZINC001274578457 817020188 /nfs/dbraw/zinc/02/01/88/817020188.db2.gz IEPNGTLCTMBIFQ-XGACYXMMSA-N 2 0 336.440 -0.455 20 0 EBADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](CC3(O)CCOCC3)C2)OCC1=O ZINC001274644660 817056453 /nfs/dbraw/zinc/05/64/53/817056453.db2.gz CKRLSLPWBWKXOR-QGZVFWFLSA-N 2 0 341.452 -0.607 20 0 EBADRP C[C@H](C[NH2+]CCCS(=O)(=O)N(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001274700612 817071509 /nfs/dbraw/zinc/07/15/09/817071509.db2.gz DDGPNEXYVCSYEW-OLZOCXBDSA-N 2 0 334.486 -0.544 20 0 EBADRP CS(=O)(=O)NCC[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001275054396 817146547 /nfs/dbraw/zinc/14/65/47/817146547.db2.gz QVJUSCHSFBMLRM-AWEZNQCLSA-N 2 0 346.497 -0.398 20 0 EBADRP C[C@@H](C[NH2+]CCN1CCCS1(=O)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001275410637 817209377 /nfs/dbraw/zinc/20/93/77/817209377.db2.gz MNDHBRNGNHBICJ-ZDUSSCGKSA-N 2 0 344.481 -0.788 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](O)C1 ZINC001090272469 817213628 /nfs/dbraw/zinc/21/36/28/817213628.db2.gz PFBGYUAZONHBEP-DZGCQCFKSA-N 2 0 339.440 -0.744 20 0 EBADRP C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4c[nH]c(=O)[nH]c4=O)CC3)[C@@H]2C1 ZINC001276110134 817360898 /nfs/dbraw/zinc/36/08/98/817360898.db2.gz BPOYUWZMSVEFPO-VXGBXAGGSA-N 2 0 333.392 -0.470 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH2+][C@@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001276190281 817370176 /nfs/dbraw/zinc/37/01/76/817370176.db2.gz PZUXTLDBQFJJGT-MELADBBJSA-N 2 0 338.452 -0.040 20 0 EBADRP C[NH+](C)CCc1ccccc1C(=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090451474 817426594 /nfs/dbraw/zinc/42/65/94/817426594.db2.gz GSIIBHQARMIWHY-DLBZAZTESA-N 2 0 335.448 -0.052 20 0 EBADRP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001277074637 817518226 /nfs/dbraw/zinc/51/82/26/817518226.db2.gz LGYHWAGXLSHHMX-AVGNSLFASA-N 2 0 339.440 -0.637 20 0 EBADRP COCCCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001277823637 817641216 /nfs/dbraw/zinc/64/12/16/817641216.db2.gz NNZIEUCGQXMDHI-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(=O)NCC[N@H+]1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001277910555 817654801 /nfs/dbraw/zinc/65/48/01/817654801.db2.gz RSQZRQVMKLIKFE-KRWDZBQOSA-N 2 0 339.484 -0.659 20 0 EBADRP C[C@H](O)C[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](Cc3cn[nH]c3)C[C@@H]12 ZINC001277957759 817663078 /nfs/dbraw/zinc/66/30/78/817663078.db2.gz CYDBQANZEYGQOR-QEJZJMRPSA-N 2 0 333.436 -0.197 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CCNC(=O)C1CC1)C(=O)C1CC[NH+](C)CC1 ZINC001278803521 817840411 /nfs/dbraw/zinc/84/04/11/817840411.db2.gz AHXNJYRKEYLIBR-HNNXBMFYSA-N 2 0 340.468 -0.737 20 0 EBADRP COCCC[N@@H+]1CC[C@@](O)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001278815564 817844676 /nfs/dbraw/zinc/84/46/76/817844676.db2.gz GUIOQHVGUDDSHT-QGZVFWFLSA-N 2 0 343.468 -0.313 20 0 EBADRP C[NH+](C)CCCCC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001278816373 817847538 /nfs/dbraw/zinc/84/75/38/817847538.db2.gz QRPQUXWPRVGJHM-PBHICJAKSA-N 2 0 340.468 -0.450 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]CCN1CCCC1=O ZINC001279791461 817985389 /nfs/dbraw/zinc/98/53/89/817985389.db2.gz GIGPNVXCBIXFQC-CQSZACIVSA-N 2 0 326.441 -0.887 20 0 EBADRP O=C(N(CCO)CC[NH2+]CC1CCOCC1)C12CC[NH+](CC1)C2 ZINC001279886444 818000868 /nfs/dbraw/zinc/00/08/68/818000868.db2.gz MBNSAMGOQBNVJG-UHFFFAOYSA-N 2 0 325.453 -0.081 20 0 EBADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001281464333 818190931 /nfs/dbraw/zinc/19/09/31/818190931.db2.gz WXHKIIDBXSITAX-UONOGXRCSA-N 2 0 331.482 -0.047 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC2CC(C[NH2+]CCN3CCNC3=O)C2)C1 ZINC001282067712 818353990 /nfs/dbraw/zinc/35/39/90/818353990.db2.gz YRVQKWUOUKPYMN-NFOMZHRRSA-N 2 0 337.468 -0.162 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCN1C(=O)COCC[NH+](C)C ZINC001282331208 818393236 /nfs/dbraw/zinc/39/32/36/818393236.db2.gz UWHWVDGMGWYLAE-QLFBSQMISA-N 2 0 340.468 -0.236 20 0 EBADRP NC(=O)C[NH2+]CCCOC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001282594033 818462976 /nfs/dbraw/zinc/46/29/76/818462976.db2.gz MJLZEHISCHEMOC-UHFFFAOYSA-N 2 0 326.441 -0.445 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001283891450 819020654 /nfs/dbraw/zinc/02/06/54/819020654.db2.gz YOQKDRLMRPDICK-AWEZNQCLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H]1C[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)CN1C(=O)CC[NH+](C)C ZINC001284001642 819058593 /nfs/dbraw/zinc/05/85/93/819058593.db2.gz CDRQOTDOZAINMV-ZIAGYGMSSA-N 2 0 348.513 -0.201 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001284031132 819072907 /nfs/dbraw/zinc/07/29/07/819072907.db2.gz IZZNAXKKQGYHAU-KGLIPLIRSA-N 2 0 348.513 -0.155 20 0 EBADRP C[NH+](C)CCCC(=O)N1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C(C)(C)C1 ZINC001284313851 819180802 /nfs/dbraw/zinc/18/08/02/819180802.db2.gz TXIMXKRDJFIWOJ-OLZOCXBDSA-N 2 0 338.452 -0.040 20 0 EBADRP CN(C)C(=O)C[N@H+](CCO)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001098462431 819199759 /nfs/dbraw/zinc/19/97/59/819199759.db2.gz TUXHJMWVIAMOSP-UHFFFAOYSA-N 2 0 342.484 -0.298 20 0 EBADRP C[N@H+](CC(=O)N1CCC([NH+](CCO)CC(N)=O)CC1)CC(C)(C)C ZINC001098478875 819209155 /nfs/dbraw/zinc/20/91/55/819209155.db2.gz IBTXIGHYXHTJMX-UHFFFAOYSA-N 2 0 342.484 -0.265 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC([N@H+](CCO)CC(N)=O)CC1 ZINC001098535330 819235313 /nfs/dbraw/zinc/23/53/13/819235313.db2.gz ZYBZQTIJJSFHKM-UHFFFAOYSA-N 2 0 349.435 -0.468 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH+](CCO)CCOCCO)CC2)C1 ZINC001098561177 819244716 /nfs/dbraw/zinc/24/47/16/819244716.db2.gz VMNUYPJHROOMGD-HNNXBMFYSA-N 2 0 343.468 -0.768 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H](C[NH2+][C@H]1CCC(=O)NC1=O)C(C)(C)C ZINC001284623828 819306716 /nfs/dbraw/zinc/30/67/16/819306716.db2.gz BKKJQPWXASIZQH-RYUDHWBXSA-N 2 0 326.441 -0.136 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCN2CCNC2=O)C3)C1 ZINC001099159917 819427061 /nfs/dbraw/zinc/42/70/61/819427061.db2.gz MBIQRDJDAJEZGT-VKJFTORMSA-N 2 0 349.479 -0.066 20 0 EBADRP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CCn2cncn2)C[C@@H]1O)C1CCC1 ZINC001099879488 819820938 /nfs/dbraw/zinc/82/09/38/819820938.db2.gz KTECJPLWABBVBA-CABCVRRESA-N 2 0 336.440 -0.686 20 0 EBADRP COCCOCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099880018 819824451 /nfs/dbraw/zinc/82/44/51/819824451.db2.gz UDDHSNIKBOLPKN-HZPDHXFCSA-N 2 0 343.468 -0.315 20 0 EBADRP COCCOCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099880017 819825168 /nfs/dbraw/zinc/82/51/68/819825168.db2.gz UDDHSNIKBOLPKN-HOTGVXAUSA-N 2 0 343.468 -0.315 20 0 EBADRP O=C(N[C@@H]1CC[N@@H+](CCOCCO)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001099904239 819888712 /nfs/dbraw/zinc/88/87/12/819888712.db2.gz SABRJGKWYRAIMY-HUUCEWRRSA-N 2 0 341.452 -0.825 20 0 EBADRP Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971928 819974839 /nfs/dbraw/zinc/97/48/39/819974839.db2.gz OFWUTUJVOQAELB-HOTGVXAUSA-N 2 0 349.479 -0.144 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C[C@H]2O)CC1 ZINC001099972469 819976311 /nfs/dbraw/zinc/97/63/11/819976311.db2.gz XAKGVRUGWSWEOJ-UONOGXRCSA-N 2 0 336.440 -0.829 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCN2CCCC2=O)C[C@@H]1O ZINC001099986420 819992362 /nfs/dbraw/zinc/99/23/62/819992362.db2.gz KKHBXFGCBZECEH-KBPBESRZSA-N 2 0 326.441 -0.888 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001100050674 820125675 /nfs/dbraw/zinc/12/56/75/820125675.db2.gz LGERPNZMUHODKH-CABCVRRESA-N 2 0 329.441 -0.705 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCOCCOC)C[C@@H]1O ZINC001100065122 820149707 /nfs/dbraw/zinc/14/97/07/820149707.db2.gz XQRGYQZEPVEYSZ-GJZGRUSLSA-N 2 0 331.457 -0.457 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001100187783 820308567 /nfs/dbraw/zinc/30/85/67/820308567.db2.gz MJGSXHHHKLEGTA-JXQTWKCFSA-N 2 0 346.497 -0.496 20 0 EBADRP O=C(NCC1CC([NH2+]CCOCCO)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001100336473 820364474 /nfs/dbraw/zinc/36/44/74/820364474.db2.gz ZBJBGUOLYKCEMN-BCLQGDPASA-N 2 0 325.453 -0.179 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100383174 820392658 /nfs/dbraw/zinc/39/26/58/820392658.db2.gz ONPPUMYFXMJKHM-BPCQOVAHSA-N 2 0 339.440 -0.460 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CC(CNC(=O)[C@@H](C3CC3)[NH+](C)C)C2)nc1=O ZINC001100407679 820407026 /nfs/dbraw/zinc/40/70/26/820407026.db2.gz FJTUYXABOOEIPC-MMWSSPAHSA-N 2 0 336.440 -0.567 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001100457314 820429813 /nfs/dbraw/zinc/42/98/13/820429813.db2.gz YPTVRPCOAKRXCD-UNXYVOJBSA-N 2 0 341.456 -0.216 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC2CC([NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001100617246 820488070 /nfs/dbraw/zinc/48/80/70/820488070.db2.gz KMHSOVKYFNPROA-UHFFFAOYSA-N 2 0 325.413 -0.993 20 0 EBADRP C[NH+](C)CCC(=O)NCC1CC([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001100637312 820496154 /nfs/dbraw/zinc/49/61/54/820496154.db2.gz MFDADOSJJBFIJZ-IYXRBSQSSA-N 2 0 331.482 -0.143 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100637375 820496778 /nfs/dbraw/zinc/49/67/78/820496778.db2.gz PCPISGWAVYTMBU-UHFFFAOYSA-N 2 0 341.456 -0.342 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001100676368 820508079 /nfs/dbraw/zinc/50/80/79/820508079.db2.gz MHUHVYUMSCUFFY-PNESKVBLSA-N 2 0 339.440 -0.589 20 0 EBADRP CC[C@@H](C(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001100684874 820511714 /nfs/dbraw/zinc/51/17/14/820511714.db2.gz OXHGQPRAYDWCBC-BPCQOVAHSA-N 2 0 334.486 -0.640 20 0 EBADRP CN(C)C(=O)C[NH2+]C1CC(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001100804173 820557623 /nfs/dbraw/zinc/55/76/23/820557623.db2.gz KRMZRRSMDSYPBY-UHFFFAOYSA-N 2 0 340.468 -0.330 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001100827618 820563261 /nfs/dbraw/zinc/56/32/61/820563261.db2.gz MKBNHCMPHLGWNK-PNESKVBLSA-N 2 0 341.456 -0.343 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+]CCNS(=O)(=O)CC)C1 ZINC001100831159 820564115 /nfs/dbraw/zinc/56/41/15/820564115.db2.gz IXXPTXQWJNASOE-UHFFFAOYSA-N 2 0 348.513 -0.248 20 0 EBADRP CC(C)NC(=O)C[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100870964 820585291 /nfs/dbraw/zinc/58/52/91/820585291.db2.gz ULDAODYPYKRBML-UHFFFAOYSA-N 2 0 328.457 -0.426 20 0 EBADRP C[C@@H]([NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1)C(=O)NC1CC1 ZINC001100870502 820585483 /nfs/dbraw/zinc/58/54/83/820585483.db2.gz HQTNOBKOZSSYAE-DNOWBOINSA-N 2 0 340.468 -0.284 20 0 EBADRP CCn1cc(C[NH2+]C2CC(CNC(=O)COCC[NH+](C)C)C2)nn1 ZINC001100870523 820585656 /nfs/dbraw/zinc/58/56/56/820585656.db2.gz HYSGKWDWQDAKQF-UHFFFAOYSA-N 2 0 338.456 -0.139 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001100872577 820586678 /nfs/dbraw/zinc/58/66/78/820586678.db2.gz ALFYGTVTQRXUMW-HIFPTAJRSA-N 2 0 339.440 -0.732 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001100904854 820595593 /nfs/dbraw/zinc/59/55/93/820595593.db2.gz KXGDYFJILDOIHB-UHFFFAOYSA-N 2 0 339.440 -0.636 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCCNC(=O)CCN2CCOCC2)CC[N@@H+]1C ZINC001292813003 820622367 /nfs/dbraw/zinc/62/23/67/820622367.db2.gz NXIICSDLPOIFOG-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001295132929 821055627 /nfs/dbraw/zinc/05/56/27/821055627.db2.gz VLQDVQPPXPEKBJ-SHTZXODSSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102511049 821132638 /nfs/dbraw/zinc/13/26/38/821132638.db2.gz HIMQBUBPUNEZDD-HUUCEWRRSA-N 2 0 340.468 -0.519 20 0 EBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001102514503 821134733 /nfs/dbraw/zinc/13/47/33/821134733.db2.gz ZGAATTCPEDKDBI-FRRDWIJNSA-N 2 0 339.440 -0.793 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102525110 821138284 /nfs/dbraw/zinc/13/82/84/821138284.db2.gz LJVSUEVRACSENX-MGPQQGTHSA-N 2 0 338.452 -0.183 20 0 EBADRP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001102578176 821161735 /nfs/dbraw/zinc/16/17/35/821161735.db2.gz OVBSAEJLPLRQAR-MGPQQGTHSA-N 2 0 346.497 -0.829 20 0 EBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001102782767 821211542 /nfs/dbraw/zinc/21/15/42/821211542.db2.gz PWVUFDIHFNILRR-UPJWGTAASA-N 2 0 339.440 -0.650 20 0 EBADRP O=C(C[NH+]1CCCC1)NCc1cccc(N2CC[C@@H]([NH2+]CCO)C2)n1 ZINC001127857760 828338982 /nfs/dbraw/zinc/33/89/82/828338982.db2.gz YDCCXKBLKUKHGX-MRXNPFEDSA-N 2 0 347.463 -0.046 20 0 EBADRP COC[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001104908267 821564272 /nfs/dbraw/zinc/56/42/72/821564272.db2.gz PIUPYUAKXYHZQM-OAGGEKHMSA-N 2 0 345.484 -0.354 20 0 EBADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001299375146 821685963 /nfs/dbraw/zinc/68/59/63/821685963.db2.gz PTDXEKDKIHFXSG-HNNXBMFYSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105361225 821718436 /nfs/dbraw/zinc/71/84/36/821718436.db2.gz UMSLVCGXSTZIDV-CHWSQXEVSA-N 2 0 336.440 -0.526 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC(n3cc(C[NH2+]CCCO)nn3)C2)C1 ZINC001105361320 821719746 /nfs/dbraw/zinc/71/97/46/821719746.db2.gz WGLLQKDACXOTRU-CYBMUJFWSA-N 2 0 336.440 -0.525 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC(n2cc(C[NH2+]C[C@@H](C)O)nn2)C1 ZINC001105365304 821721722 /nfs/dbraw/zinc/72/17/22/821721722.db2.gz LXMWNUMPBNHPBS-CYBMUJFWSA-N 2 0 338.456 -0.136 20 0 EBADRP C[C@@H]([NH2+]C1CCC2(CC1)CN(C(=O)CC[NH+](C)C)CCO2)C(N)=O ZINC001105481085 821760110 /nfs/dbraw/zinc/76/01/10/821760110.db2.gz XYCXMBGZINQLHH-TUBUQKNSSA-N 2 0 340.468 -0.058 20 0 EBADRP CC(=O)NCCOCC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001316992606 821965337 /nfs/dbraw/zinc/96/53/37/821965337.db2.gz RUNNBEATFWCFCM-JKSUJKDBSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CCNS(C)(=O)=O)C2)CCC1 ZINC001317082860 821998039 /nfs/dbraw/zinc/99/80/39/821998039.db2.gz UVNQXQJYBDJPAP-HAQNSBGRSA-N 2 0 332.470 -0.743 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001317090504 822000814 /nfs/dbraw/zinc/00/08/14/822000814.db2.gz BJOQBTKEIRVSOI-HDJSIYSDSA-N 2 0 338.452 -0.528 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317104904 822003581 /nfs/dbraw/zinc/00/35/81/822003581.db2.gz KQVCPUPQRZGVBV-BYNSBNAKSA-N 2 0 340.468 -0.141 20 0 EBADRP CN(CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1)S(C)(=O)=O ZINC001317313644 822079758 /nfs/dbraw/zinc/07/97/58/822079758.db2.gz RNVLMZGDKPVQHR-KBPBESRZSA-N 2 0 346.497 -0.590 20 0 EBADRP C[NH+](C)C1(C(=O)N2CC[C@@H](C[NH2+]CCS(C)(=O)=O)C2)CCC1 ZINC001317321629 822082056 /nfs/dbraw/zinc/08/20/56/822082056.db2.gz HGRZPHPIJGISML-ZDUSSCGKSA-N 2 0 331.482 -0.047 20 0 EBADRP C[C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCN1C(=O)CNC1=O ZINC001317405716 822102082 /nfs/dbraw/zinc/10/20/82/822102082.db2.gz JPZBUKNPCVCNGI-CHWSQXEVSA-N 2 0 339.440 -0.636 20 0 EBADRP CC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)CCN1C(=O)CCC1=O ZINC001317487286 822129375 /nfs/dbraw/zinc/12/93/75/822129375.db2.gz JLUWHUFKFNPMNK-CQSZACIVSA-N 2 0 338.452 -0.085 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001317625764 822182884 /nfs/dbraw/zinc/18/28/84/822182884.db2.gz JFABWHTWEUEURM-CABCVRRESA-N 2 0 340.468 -0.471 20 0 EBADRP CC[C@@H](C(=O)N(C)CC[NH2+]CCN1CCCS1(=O)=O)[NH+](C)C ZINC001317654470 822192949 /nfs/dbraw/zinc/19/29/49/822192949.db2.gz LKKYOKPBQZHJCM-ZDUSSCGKSA-N 2 0 334.486 -0.590 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)[C@@H]2CCC(=O)NC2=O)C1 ZINC001317861317 822227364 /nfs/dbraw/zinc/22/73/64/822227364.db2.gz OFEHXZAZELGNAX-ZIAGYGMSSA-N 2 0 338.452 -0.086 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1 ZINC001106779177 822329148 /nfs/dbraw/zinc/32/91/48/822329148.db2.gz GJKPOQJMBJRXQI-CHWSQXEVSA-N 2 0 338.456 -0.366 20 0 EBADRP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCN1C(=O)CNC1=O ZINC001318604900 822343708 /nfs/dbraw/zinc/34/37/08/822343708.db2.gz WMWYAONZBNHCDK-LBPRGKRZSA-N 2 0 325.413 -0.882 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001106878374 822347215 /nfs/dbraw/zinc/34/72/15/822347215.db2.gz OBFRXRNZIDJTOS-MCIONIFRSA-N 2 0 326.441 -0.863 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCN(c3cccc(C[NH2+]CCO)n3)C2)C1 ZINC001128132292 828420053 /nfs/dbraw/zinc/42/00/53/828420053.db2.gz BXVOXBVIFNMZOM-HOCLYGCPSA-N 2 0 347.463 -0.190 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]CC(=O)Nc1nncs1 ZINC001128534416 828470847 /nfs/dbraw/zinc/47/08/47/828470847.db2.gz XSYZKCSVDXRNCW-SNVBAGLBSA-N 2 0 346.432 -0.138 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001128539599 828472001 /nfs/dbraw/zinc/47/20/01/828472001.db2.gz HZWORSXVLUKITI-KBPBESRZSA-N 2 0 346.447 -0.381 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001128539839 828472122 /nfs/dbraw/zinc/47/21/22/828472122.db2.gz LPQNPRIWNUEDKH-GFCCVEGCSA-N 2 0 345.419 -0.686 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001128784942 828526563 /nfs/dbraw/zinc/52/65/63/828526563.db2.gz PHIZTZJNMAKZQW-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001107040640 823720219 /nfs/dbraw/zinc/72/02/19/823720219.db2.gz KQDXWLNLTAXSOT-VXGBXAGGSA-N 2 0 327.429 -0.794 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C1([NH+](C)C)CCC1)C(=O)NC(=O)NC1CC1 ZINC001129363500 828604968 /nfs/dbraw/zinc/60/49/68/828604968.db2.gz HWXGPJPRNXVYGR-LLVKDONJSA-N 2 0 339.440 -0.447 20 0 EBADRP COC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364819 828606137 /nfs/dbraw/zinc/60/61/37/828606137.db2.gz ZNEZWVSMCLFVOB-HUUCEWRRSA-N 2 0 329.441 -0.657 20 0 EBADRP COC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364820 828606249 /nfs/dbraw/zinc/60/62/49/828606249.db2.gz ZNEZWVSMCLFVOB-LSDHHAIUSA-N 2 0 329.441 -0.657 20 0 EBADRP COCCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001129386050 828609490 /nfs/dbraw/zinc/60/94/90/828609490.db2.gz WRAYRCKZRRGHSP-CABCVRRESA-N 2 0 348.451 -0.248 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129429439 828617291 /nfs/dbraw/zinc/61/72/91/828617291.db2.gz GGDJJTXEGBMWLT-ZDUSSCGKSA-N 2 0 339.440 -0.445 20 0 EBADRP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129459957 828622193 /nfs/dbraw/zinc/62/21/93/828622193.db2.gz DVCYGQBTMUJSSC-ZNMIVQPWSA-N 2 0 338.456 -0.005 20 0 EBADRP CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129455356 828622483 /nfs/dbraw/zinc/62/24/83/828622483.db2.gz UWXCJQMEHSHABK-UKRRQHHQSA-N 2 0 342.484 -0.036 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129534873 828631985 /nfs/dbraw/zinc/63/19/85/828631985.db2.gz BHVGZGAQWNFOMC-ZDUSSCGKSA-N 2 0 328.457 -0.282 20 0 EBADRP COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129532139 828631111 /nfs/dbraw/zinc/63/11/11/828631111.db2.gz SBHMTHVAAGTYHA-DZGCQCFKSA-N 2 0 331.457 -0.411 20 0 EBADRP C[N@H+](CC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1)C1CCC1 ZINC001129535118 828631792 /nfs/dbraw/zinc/63/17/92/828631792.db2.gz JLIILUSGTVLPBH-CYBMUJFWSA-N 2 0 326.441 -0.671 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001129849743 828681693 /nfs/dbraw/zinc/68/16/93/828681693.db2.gz SQLLUULEYVYGDP-HNNXBMFYSA-N 2 0 340.468 -0.138 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129846488 828680071 /nfs/dbraw/zinc/68/00/71/828680071.db2.gz QRFVIQCDUBAPJD-NEPJUHHUSA-N 2 0 327.429 -0.589 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129841935 828680251 /nfs/dbraw/zinc/68/02/51/828680251.db2.gz RBGPJXQTXFFSAT-HUUCEWRRSA-N 2 0 331.457 -0.410 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001129842531 828680657 /nfs/dbraw/zinc/68/06/57/828680657.db2.gz ZLQMSRNIZMHBSK-GFCCVEGCSA-N 2 0 325.413 -0.882 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001129878705 828686187 /nfs/dbraw/zinc/68/61/87/828686187.db2.gz ANMZYCAXOBJZNP-MJBXVCDLSA-N 2 0 342.419 -0.708 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001129910403 828692688 /nfs/dbraw/zinc/69/26/88/828692688.db2.gz RKPQJVMIZPNUPS-KFWWJZLASA-N 2 0 336.440 -0.514 20 0 EBADRP C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992250 828709471 /nfs/dbraw/zinc/70/94/71/828709471.db2.gz UVLOASYXONPYBT-ZNMIVQPWSA-N 2 0 338.456 -0.268 20 0 EBADRP C[N@H+](CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)CC(C)(C)C ZINC001130014303 828714459 /nfs/dbraw/zinc/71/44/59/828714459.db2.gz HJZUTYIVWHSZCP-KGLIPLIRSA-N 2 0 338.456 -0.410 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CCOCC1 ZINC001130187107 828750981 /nfs/dbraw/zinc/75/09/81/828750981.db2.gz OSDJBYAHMCBZKJ-CABCVRRESA-N 2 0 338.452 -0.432 20 0 EBADRP CCN1CC[C@@H]([NH2+]CCNC(=O)C(C)(C)C[NH+]2CCOCC2)C1=O ZINC001130231873 828761478 /nfs/dbraw/zinc/76/14/78/828761478.db2.gz IPFLEVPJUMQUCJ-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001130230072 828761593 /nfs/dbraw/zinc/76/15/93/828761593.db2.gz GGEKTGZNGXZXRL-CYBMUJFWSA-N 2 0 326.441 -0.671 20 0 EBADRP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCNS(C)(=O)=O)C2 ZINC001111864282 825330687 /nfs/dbraw/zinc/33/06/87/825330687.db2.gz IPMPHJOOWZGEAA-ZFWWWQNUSA-N 2 0 346.497 -0.542 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[NH+](C[C@@H]2CCNC(=O)CC2)CC1 ZINC001113545343 825916020 /nfs/dbraw/zinc/91/60/20/825916020.db2.gz KTSVVCUFKULLDD-HNNXBMFYSA-N 2 0 340.468 -0.375 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)[C@@H]1C ZINC001179743955 833006463 /nfs/dbraw/zinc/00/64/63/833006463.db2.gz AGOCLKABYFDSDO-AGIUHOORSA-N 2 0 341.456 -0.249 20 0 EBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001179798444 833011570 /nfs/dbraw/zinc/01/15/70/833011570.db2.gz DYACHRMDAVOCFK-DZKIICNBSA-N 2 0 343.468 -0.317 20 0 EBADRP CCNC(=O)C[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001179798389 833011810 /nfs/dbraw/zinc/01/18/10/833011810.db2.gz BSQVDPVLTBNALW-ZFWWWQNUSA-N 2 0 340.468 -0.188 20 0 EBADRP CCN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001114290775 826196396 /nfs/dbraw/zinc/19/63/96/826196396.db2.gz NMPFKANINKFOIP-AIANPOQGSA-N 2 0 334.464 -0.147 20 0 EBADRP C[NH+](C)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCC(=O)NC4=O)C[C@H]32)CCC1 ZINC001114405243 826235900 /nfs/dbraw/zinc/23/59/00/826235900.db2.gz PLCSBENSGXWXQM-KZVDOYCCSA-N 2 0 334.420 -0.678 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21)[NH+](C)C ZINC001114442374 826249182 /nfs/dbraw/zinc/24/91/82/826249182.db2.gz FLVTWKPGBDGOJH-YJNKXOJESA-N 2 0 337.468 -0.356 20 0 EBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C)C(=O)NC(N)=O ZINC001179972130 833030129 /nfs/dbraw/zinc/03/01/29/833030129.db2.gz HEVHEXCDZGGGMO-AVGNSLFASA-N 2 0 341.456 -0.119 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001179968615 833030558 /nfs/dbraw/zinc/03/05/58/833030558.db2.gz WJVXVIYYLIWMKN-STQMWFEESA-N 2 0 341.456 -0.247 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)COCC[NH+](C)C ZINC001180060846 833038244 /nfs/dbraw/zinc/03/82/44/833038244.db2.gz QXXHFCXTPFEPBD-CQSZACIVSA-N 2 0 330.473 -0.035 20 0 EBADRP CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001114589431 826293278 /nfs/dbraw/zinc/29/32/78/826293278.db2.gz HORDGBLQKMHILE-GTHOZQOVSA-N 2 0 335.448 -0.068 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001114746717 826332177 /nfs/dbraw/zinc/33/21/77/826332177.db2.gz YFVQCGNENIGUGE-LAQFHYBYSA-N 2 0 336.436 -0.476 20 0 EBADRP CN(C)S(=O)(=O)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778566 826340315 /nfs/dbraw/zinc/34/03/15/826340315.db2.gz NGGIUCTTWUQRRP-NHAGDIPZSA-N 2 0 346.497 -0.734 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCCS(=O)(=O)C3)C[C@H]21 ZINC001114778414 826340572 /nfs/dbraw/zinc/34/05/72/826340572.db2.gz KHZKGHRYPCCIDY-NYTXWWLZSA-N 2 0 343.493 -0.191 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CCOCCO)C[C@H]32)C1 ZINC001114838445 826351677 /nfs/dbraw/zinc/35/16/77/826351677.db2.gz YFXREVQOLULVBL-FOLVSLTJSA-N 2 0 325.453 -0.226 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC001114924030 826373323 /nfs/dbraw/zinc/37/33/23/826373323.db2.gz CYZODYZSWYCBPA-LJIGWXMPSA-N 2 0 325.453 -0.228 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)C[NH+]1CCCC1 ZINC001180131373 833044852 /nfs/dbraw/zinc/04/48/52/833044852.db2.gz AWISNXZXOJWTDW-STQMWFEESA-N 2 0 332.470 -0.790 20 0 EBADRP COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180124236 833045019 /nfs/dbraw/zinc/04/50/19/833045019.db2.gz GKZBUQKVGWQFEQ-ZNMIVQPWSA-N 2 0 340.468 -0.330 20 0 EBADRP COCCOC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001180131774 833045351 /nfs/dbraw/zinc/04/53/51/833045351.db2.gz LCMUIBNGGHUPEC-JYJNAYRXSA-N 2 0 343.468 -0.315 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCNC(C)=O)C[C@H]21 ZINC001114996990 826396563 /nfs/dbraw/zinc/39/65/63/826396563.db2.gz HDUVOUKXDHTJSO-QLPKVWCKSA-N 2 0 340.468 -0.473 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)COCCOC)C[C@H]21 ZINC001114998962 826397240 /nfs/dbraw/zinc/39/72/40/826397240.db2.gz ZSSCDNJBPRIFJW-LJIGWXMPSA-N 2 0 343.468 -0.602 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC001115119462 826426691 /nfs/dbraw/zinc/42/66/91/826426691.db2.gz YDNXWXBIJOLQEN-HALDLXJZSA-N 2 0 338.452 -0.767 20 0 EBADRP CN1CCC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)COCC[NH+](C)C)C1=O ZINC001115126495 826428249 /nfs/dbraw/zinc/42/82/49/826428249.db2.gz ONOOPCJJPYIMAU-KNCOVGOOSA-N 2 0 338.452 -0.768 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnn(C)c3)C[C@H]21 ZINC001115245351 826470196 /nfs/dbraw/zinc/47/01/96/826470196.db2.gz POCGCJVJQPLXRA-SIXLDLHFSA-N 2 0 347.463 -0.065 20 0 EBADRP C[C@H]([NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(N)=O ZINC001180264486 833066233 /nfs/dbraw/zinc/06/62/33/833066233.db2.gz GDTJTJNVMVVZHC-QWHCGFSZSA-N 2 0 341.456 -0.212 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001180226969 833060078 /nfs/dbraw/zinc/06/00/78/833060078.db2.gz WDPSAMGUJMLHPE-RYUDHWBXSA-N 2 0 327.429 -0.639 20 0 EBADRP O=C(CC[NH+]1CCCCC1)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001115298875 826500916 /nfs/dbraw/zinc/50/09/16/826500916.db2.gz ZJEPTDRVECYRJB-QLPKVWCKSA-N 2 0 325.453 -0.082 20 0 EBADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC001116966318 826658052 /nfs/dbraw/zinc/65/80/52/826658052.db2.gz ZWYCBUJJMQMVKI-HNNXBMFYSA-N 2 0 340.468 -0.375 20 0 EBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001116971054 826658962 /nfs/dbraw/zinc/65/89/62/826658962.db2.gz PWKLKHCANNVOII-UHFFFAOYSA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC001117359151 826729478 /nfs/dbraw/zinc/72/94/78/826729478.db2.gz GWQHFKRUTIOLNA-RBSFLKMASA-N 2 0 339.484 -0.853 20 0 EBADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001118148227 826860094 /nfs/dbraw/zinc/86/00/94/826860094.db2.gz SNHWPXRECANZKA-LSDHHAIUSA-N 2 0 343.468 -0.280 20 0 EBADRP O=C(NCCC[NH+]1CCC(O)CC1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC001118200154 826875070 /nfs/dbraw/zinc/87/50/70/826875070.db2.gz BDEMUKNALHHNKV-ZDUSSCGKSA-N 2 0 336.440 -0.221 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC001118264696 826892564 /nfs/dbraw/zinc/89/25/64/826892564.db2.gz FRFJXEQLOSNVRY-UKRRQHHQSA-N 2 0 340.468 -0.188 20 0 EBADRP CCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)CC1 ZINC001118330666 826910138 /nfs/dbraw/zinc/91/01/38/826910138.db2.gz WBZVYUCSAUPHNP-UKRRQHHQSA-N 2 0 340.468 -0.201 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001118548380 826956684 /nfs/dbraw/zinc/95/66/84/826956684.db2.gz LFBIYNUZUPRQBL-AWEZNQCLSA-N 2 0 326.441 -0.447 20 0 EBADRP COC1(C)CN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001118942526 827032762 /nfs/dbraw/zinc/03/27/62/827032762.db2.gz LWZSIINQPVUCFT-ZIAGYGMSSA-N 2 0 340.468 -0.569 20 0 EBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC001119352387 827101083 /nfs/dbraw/zinc/10/10/83/827101083.db2.gz CECMKZITCYSPIO-ZNMIVQPWSA-N 2 0 349.479 -0.766 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001120377795 827202447 /nfs/dbraw/zinc/20/24/47/827202447.db2.gz PSAPQOYKRZUBMT-ZNMIVQPWSA-N 2 0 340.468 -0.391 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001181653069 833170532 /nfs/dbraw/zinc/17/05/32/833170532.db2.gz VCKVJEXLGOBQJB-ZIAGYGMSSA-N 2 0 346.497 -0.447 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC3(C2)CC([NH2+]CCS(C)(=O)=O)C3)C1 ZINC001122178012 827538012 /nfs/dbraw/zinc/53/80/12/827538012.db2.gz RNLXMLQMEGBYPA-BHTBLZRRSA-N 2 0 343.493 0.000 20 0 EBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC001123484285 827710924 /nfs/dbraw/zinc/71/09/24/827710924.db2.gz PZLKGZUVHVBETQ-IAGOWNOFSA-N 2 0 335.496 -0.385 20 0 EBADRP CS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001182623059 833248227 /nfs/dbraw/zinc/24/82/27/833248227.db2.gz DDSOFFWLSNCIEJ-HUUCEWRRSA-N 2 0 343.493 -0.047 20 0 EBADRP COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001182670231 833251590 /nfs/dbraw/zinc/25/15/90/833251590.db2.gz KWEYCSZMIAEGEG-ZIAGYGMSSA-N 2 0 339.440 -0.744 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC001124866832 827969328 /nfs/dbraw/zinc/96/93/28/827969328.db2.gz LRHNMDBDKUJKRF-GFCCVEGCSA-N 2 0 339.440 -0.493 20 0 EBADRP Cn1ccc(N2CCC[C@@H]([NH2+]CCNC(=O)[C@H]3CCC[N@@H+]3C)C2=O)n1 ZINC001124867694 827969396 /nfs/dbraw/zinc/96/93/96/827969396.db2.gz XZBOXTXNIVPLSI-ZIAGYGMSSA-N 2 0 348.451 -0.285 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1ccccc1C(N)=O ZINC001124873232 827972490 /nfs/dbraw/zinc/97/24/90/827972490.db2.gz UFASBIVHEARBPK-CQSZACIVSA-N 2 0 347.419 -0.476 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001183288293 833285719 /nfs/dbraw/zinc/28/57/19/833285719.db2.gz CCNLCGVGVABSQN-NWDGAFQWSA-N 2 0 339.440 -0.495 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001183392563 833288969 /nfs/dbraw/zinc/28/89/69/833288969.db2.gz YDQZMJVTCLGXGA-NEPJUHHUSA-N 2 0 325.413 -0.754 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001183436613 833290464 /nfs/dbraw/zinc/29/04/64/833290464.db2.gz OSVALECWOZDDTO-ZBFHGGJFSA-N 2 0 342.484 -0.084 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001183509773 833292645 /nfs/dbraw/zinc/29/26/45/833292645.db2.gz MWJSUUJFROGXEE-MLGOLLRUSA-N 2 0 341.456 -0.404 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001183582065 833296246 /nfs/dbraw/zinc/29/62/46/833296246.db2.gz QRBJLJGVHUAHNQ-JHJVBQTASA-N 2 0 341.456 -0.249 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127081791 828248560 /nfs/dbraw/zinc/24/85/60/828248560.db2.gz BPEMGIAXKGEZQV-RYUDHWBXSA-N 2 0 327.429 -0.591 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127257197 828269903 /nfs/dbraw/zinc/26/99/03/828269903.db2.gz WGYPUHXWGNZQTM-QWHCGFSZSA-N 2 0 339.440 -0.588 20 0 EBADRP CS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001183940139 833313540 /nfs/dbraw/zinc/31/35/40/833313540.db2.gz QQYMHOCEJCAZRJ-CYBMUJFWSA-N 2 0 344.481 -0.646 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)NC[C@@H]1CCOC1 ZINC001127481176 828297671 /nfs/dbraw/zinc/29/76/71/828297671.db2.gz QOLDNERUQJECEK-DZGCQCFKSA-N 2 0 338.452 -0.813 20 0 EBADRP C[C@@H](C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CS(C)(=O)=O ZINC001127481640 828298044 /nfs/dbraw/zinc/29/80/44/828298044.db2.gz VUEOXBLCXZSWIQ-GXTWGEPZSA-N 2 0 331.482 -0.285 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NCC[NH2+]CC(=O)N2CCCC2)n1 ZINC001127562378 828303585 /nfs/dbraw/zinc/30/35/85/828303585.db2.gz JAXJSMPDSGLDMW-UHFFFAOYSA-N 2 0 336.440 -0.614 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)CC[N@@H+]1C ZINC001127638524 828309102 /nfs/dbraw/zinc/30/91/02/828309102.db2.gz LGAMAAREQOXODS-MGPQQGTHSA-N 2 0 346.497 -0.686 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127659479 828311617 /nfs/dbraw/zinc/31/16/17/828311617.db2.gz CJZUDSOBVGGCPY-CHWSQXEVSA-N 2 0 341.456 -0.342 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NCc2cccnc2)CC[N@@H+]1C ZINC001127685805 828314960 /nfs/dbraw/zinc/31/49/60/828314960.db2.gz UWOJVRMFMDWAJE-UKRRQHHQSA-N 2 0 333.436 -0.256 20 0 EBADRP CCC(CC)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127760977 828321638 /nfs/dbraw/zinc/32/16/38/828321638.db2.gz WTOFGYIARNDCJY-LSDHHAIUSA-N 2 0 340.468 -0.140 20 0 EBADRP CC(C)(C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127778457 828324787 /nfs/dbraw/zinc/32/47/87/828324787.db2.gz FJTDCHCLACHEER-OLZOCXBDSA-N 2 0 326.441 -0.530 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCCCC1 ZINC001127778489 828325252 /nfs/dbraw/zinc/32/52/52/828325252.db2.gz GAUFUIBFELDOIP-LSDHHAIUSA-N 2 0 338.452 -0.432 20 0 EBADRP CCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127777701 828325965 /nfs/dbraw/zinc/32/59/65/828325965.db2.gz BGIZSRIQZJSPPX-KGLIPLIRSA-N 2 0 326.441 -0.528 20 0 EBADRP Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001127779558 828328759 /nfs/dbraw/zinc/32/87/59/828328759.db2.gz NXICVYJNOPFZQT-LSDHHAIUSA-N 2 0 336.440 -0.536 20 0 EBADRP CCn1nnc(C)c1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127780127 828330703 /nfs/dbraw/zinc/33/07/03/828330703.db2.gz VZXXCMQUIZRAGC-ZFWWWQNUSA-N 2 0 336.440 -0.325 20 0 EBADRP Cc1c(C(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)ccc2c[nH+]cn21 ZINC001130656016 828906903 /nfs/dbraw/zinc/90/69/03/828906903.db2.gz FIAPXLHLSIKKJR-CYBMUJFWSA-N 2 0 329.360 -0.233 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001130713432 828920835 /nfs/dbraw/zinc/92/08/35/828920835.db2.gz OAEBHPJPJVNMDF-AWEZNQCLSA-N 2 0 325.457 -0.162 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001130710977 828920910 /nfs/dbraw/zinc/92/09/10/828920910.db2.gz KHOPVCHSORAXLY-HNNXBMFYSA-N 2 0 342.484 -0.035 20 0 EBADRP O=C(C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2)NC[C@@H]1CCCO1 ZINC001130805638 828943553 /nfs/dbraw/zinc/94/35/53/828943553.db2.gz FSRQSWBIVYLRJO-AWEZNQCLSA-N 2 0 338.452 -0.384 20 0 EBADRP O=C(C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2)NC[C@@H]1CCOC1 ZINC001130810280 828944978 /nfs/dbraw/zinc/94/49/78/828944978.db2.gz PDDTWSZNSSMGML-AWEZNQCLSA-N 2 0 338.452 -0.527 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001184962068 833344306 /nfs/dbraw/zinc/34/43/06/833344306.db2.gz NTSUYLXKBKIJDE-OAGGEKHMSA-N 2 0 335.452 -0.081 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001130943559 828999910 /nfs/dbraw/zinc/99/99/10/828999910.db2.gz BQJNCXSBZIYRHJ-MGPQQGTHSA-N 2 0 348.451 -0.856 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001185083681 833346377 /nfs/dbraw/zinc/34/63/77/833346377.db2.gz HTFBXMJWIGGIQZ-CHWSQXEVSA-N 2 0 341.456 -0.532 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC001185109099 833346666 /nfs/dbraw/zinc/34/66/66/833346666.db2.gz CKIMDRTWKCJKKX-UKRRQHHQSA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC[C@H]1C[NH2+]CC(N)=O ZINC001185381252 833357344 /nfs/dbraw/zinc/35/73/44/833357344.db2.gz OPTMBUKIRALPLW-KGLIPLIRSA-N 2 0 340.468 -0.343 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185447185 833358727 /nfs/dbraw/zinc/35/87/27/833358727.db2.gz XKKRWYFBLGZMLX-DGCLKSJQSA-N 2 0 327.429 -0.781 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185456047 833359425 /nfs/dbraw/zinc/35/94/25/833359425.db2.gz YFUKDPNOJOZAAK-YNEHKIRRSA-N 2 0 341.456 -0.393 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001185550564 833360992 /nfs/dbraw/zinc/36/09/92/833360992.db2.gz UUGZGRJNNZSDOW-QWHCGFSZSA-N 2 0 341.456 -0.403 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131370327 829116810 /nfs/dbraw/zinc/11/68/10/829116810.db2.gz IXUBVBLLKGRGOT-UHFFFAOYSA-N 2 0 346.391 -0.111 20 0 EBADRP O=C(NCC[NH2+]C[C@@H](O)Cn1cccn1)c1ccc2c[nH+]cn2c1 ZINC001131375093 829118897 /nfs/dbraw/zinc/11/88/97/829118897.db2.gz RJVQUYJHYMQYCE-OAHLLOKOSA-N 2 0 328.376 -0.089 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001185650764 833365151 /nfs/dbraw/zinc/36/51/51/833365151.db2.gz MCMDVVUMAHMHBU-VXGBXAGGSA-N 2 0 325.413 -0.883 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)C1)[NH+](C)C ZINC001185716440 833367919 /nfs/dbraw/zinc/36/79/19/833367919.db2.gz YBOHAJBJHBUKQF-KGLIPLIRSA-N 2 0 348.513 -0.201 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001185715998 833368061 /nfs/dbraw/zinc/36/80/61/833368061.db2.gz NMXBOGDLGCRFMM-NEPJUHHUSA-N 2 0 327.429 -0.637 20 0 EBADRP Cc1ncc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)cn1 ZINC001131520014 829152396 /nfs/dbraw/zinc/15/23/96/829152396.db2.gz QUVPWYFLDLEZRC-GNHJJJEISA-N 2 0 331.420 -0.146 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C(=O)NC1CC1 ZINC001131521863 829154727 /nfs/dbraw/zinc/15/47/27/829154727.db2.gz JZJHGIVAIXROSG-DXMOGKONSA-N 2 0 336.436 -0.778 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@H]([NH2+]CCOCCO)C1 ZINC001211093347 837386777 /nfs/dbraw/zinc/38/67/77/837386777.db2.gz WMVBIMKXMUXANO-CVEARBPZSA-N 2 0 343.468 -0.456 20 0 EBADRP O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131789998 829217598 /nfs/dbraw/zinc/21/75/98/829217598.db2.gz CRHIMBAUYYBXFN-CQSZACIVSA-N 2 0 337.424 -0.882 20 0 EBADRP O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131789997 829218072 /nfs/dbraw/zinc/21/80/72/829218072.db2.gz CRHIMBAUYYBXFN-AWEZNQCLSA-N 2 0 337.424 -0.882 20 0 EBADRP O=C(NCC[NH2+]C[C@H](O)Cn1cccn1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790162 829218406 /nfs/dbraw/zinc/21/84/06/829218406.db2.gz HPOQFRWYHAPPJN-HOTGVXAUSA-N 2 0 335.452 -0.176 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186310329 833396023 /nfs/dbraw/zinc/39/60/23/833396023.db2.gz LYKWZGKLUVTFEZ-GJZGRUSLSA-N 2 0 325.453 -0.082 20 0 EBADRP COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132283995 829405723 /nfs/dbraw/zinc/40/57/23/829405723.db2.gz RCLRGVQPEUQLIH-LSDHHAIUSA-N 2 0 345.484 -0.021 20 0 EBADRP C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C[N@@H+]1CCN1C(=O)CNC1=O ZINC001132279591 829405915 /nfs/dbraw/zinc/40/59/15/829405915.db2.gz ZQJGYUQAGIYYKE-CHWSQXEVSA-N 2 0 339.440 -0.541 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001186554781 833405736 /nfs/dbraw/zinc/40/57/36/833405736.db2.gz GRLPWLHFLBTJMF-CYBMUJFWSA-N 2 0 339.440 -0.636 20 0 EBADRP C[C@@H]1CC[C@@H](NC(=O)COCC[NH+](C)C)C[N@@H+]1CCOCCO ZINC001132425506 829454825 /nfs/dbraw/zinc/45/48/25/829454825.db2.gz ILPRODFLFFQAMU-HUUCEWRRSA-N 2 0 331.457 -0.457 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001132738434 829512277 /nfs/dbraw/zinc/51/22/77/829512277.db2.gz CTKOHEOQZPGZQJ-CHWSQXEVSA-N 2 0 341.456 -0.342 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001132858918 829539167 /nfs/dbraw/zinc/53/91/67/829539167.db2.gz PAEIVPSNGKJXFI-HNNXBMFYSA-N 2 0 336.436 -0.300 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132859064 829539724 /nfs/dbraw/zinc/53/97/24/829539724.db2.gz URGDPQKERWBZJY-AWEZNQCLSA-N 2 0 328.457 -0.332 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)CC[N@@H+]1C ZINC001132886320 829545049 /nfs/dbraw/zinc/54/50/49/829545049.db2.gz JHTISUQENRBZAW-KKUMJFAQSA-N 2 0 340.468 -0.594 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132892855 829546057 /nfs/dbraw/zinc/54/60/57/829546057.db2.gz CSFBZYJLGHJNIM-STQMWFEESA-N 2 0 334.486 -0.638 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)CC1 ZINC001132993018 829567683 /nfs/dbraw/zinc/56/76/83/829567683.db2.gz JPQPTLPNPNENST-UHFFFAOYSA-N 2 0 325.413 -0.978 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132992555 829568204 /nfs/dbraw/zinc/56/82/04/829568204.db2.gz BQFKAKLVFIAOEH-LLVKDONJSA-N 2 0 327.429 -0.732 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)CC1 ZINC001132993083 829568239 /nfs/dbraw/zinc/56/82/39/829568239.db2.gz MTLFBMBUDGSOLC-CYBMUJFWSA-N 2 0 326.441 -0.671 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132995395 829569020 /nfs/dbraw/zinc/56/90/20/829569020.db2.gz RMHXRHUACHFCEF-GFCCVEGCSA-N 2 0 341.456 -0.343 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F)CC1 ZINC001132994949 829569267 /nfs/dbraw/zinc/56/92/67/829569267.db2.gz HHTQGLPXPQKVRG-LLVKDONJSA-N 2 0 341.374 -0.026 20 0 EBADRP C[NH+](C)CCCC(=O)NCC[NH2+]CC(=O)Nc1ccccc1C(N)=O ZINC001133040198 829577634 /nfs/dbraw/zinc/57/76/34/829577634.db2.gz FRYLYEXMBDDXGG-UHFFFAOYSA-N 2 0 349.435 -0.228 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133282066 829614528 /nfs/dbraw/zinc/61/45/28/829614528.db2.gz ZIIAQIXFIDKRMV-UHFFFAOYSA-N 2 0 334.486 -0.685 20 0 EBADRP C[NH+]1CCC(C(=O)NCC[NH2+]C[C@H](O)COC2CCOCC2)CC1 ZINC001133285865 829614950 /nfs/dbraw/zinc/61/49/50/829614950.db2.gz LXZCBAZEVORLDD-HNNXBMFYSA-N 2 0 343.468 -0.410 20 0 EBADRP CC(C)CCOCCNC(=O)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133300405 829617942 /nfs/dbraw/zinc/61/79/42/829617942.db2.gz ZLZLOPIFHAVSTB-UHFFFAOYSA-N 2 0 330.473 -0.177 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CCCCC1 ZINC001133297701 829617973 /nfs/dbraw/zinc/61/79/73/829617973.db2.gz RLOZYAOKTYPCPB-UHFFFAOYSA-N 2 0 341.456 -0.198 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001133347290 829624928 /nfs/dbraw/zinc/62/49/28/829624928.db2.gz VTVGNZYGMKDYAS-OLZOCXBDSA-N 2 0 341.456 -0.404 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001133347291 829624994 /nfs/dbraw/zinc/62/49/94/829624994.db2.gz VTVGNZYGMKDYAS-QWHCGFSZSA-N 2 0 341.456 -0.404 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O ZINC001133823579 829679548 /nfs/dbraw/zinc/67/95/48/829679548.db2.gz JSXAQLZMWBKPJA-KGLIPLIRSA-N 2 0 348.451 -0.285 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C)C(=O)Nc1ncccn1 ZINC001133819839 829680059 /nfs/dbraw/zinc/68/00/59/829680059.db2.gz PMXZJOXWLDLXSV-CHWSQXEVSA-N 2 0 334.424 -0.006 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001133819974 829680275 /nfs/dbraw/zinc/68/02/75/829680275.db2.gz UIBUZOZJIIGUCO-KBPBESRZSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001133823983 829681095 /nfs/dbraw/zinc/68/10/95/829681095.db2.gz UYYYSOVWUBBRKD-UONOGXRCSA-N 2 0 346.497 -0.542 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133834445 829682162 /nfs/dbraw/zinc/68/21/62/829682162.db2.gz YDGWKXAJKXTLCP-CYBMUJFWSA-N 2 0 341.456 -0.198 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001133846353 829684981 /nfs/dbraw/zinc/68/49/81/829684981.db2.gz ZGLQBBCXGXCKRW-ZIAGYGMSSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001133845522 829685013 /nfs/dbraw/zinc/68/50/13/829685013.db2.gz IAKOBJAKCREVQX-KBPBESRZSA-N 2 0 331.482 -0.141 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133850898 829687361 /nfs/dbraw/zinc/68/73/61/829687361.db2.gz QPWHWLRKOJBKIP-ZDUSSCGKSA-N 2 0 341.456 -0.340 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001133862825 829687951 /nfs/dbraw/zinc/68/79/51/829687951.db2.gz GKLXOEPKNPWEAK-QWHCGFSZSA-N 2 0 334.486 -0.829 20 0 EBADRP COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133862045 829688267 /nfs/dbraw/zinc/68/82/67/829688267.db2.gz AJCSOUADMZXACE-KGLIPLIRSA-N 2 0 349.497 -0.659 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCCNC(=O)C(F)(F)F ZINC001133869934 829690450 /nfs/dbraw/zinc/69/04/50/829690450.db2.gz OBDNJUUKUWQUJV-QWRGUYRKSA-N 2 0 338.374 -0.042 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001133894206 829695068 /nfs/dbraw/zinc/69/50/68/829695068.db2.gz XOIGEWOSQVWROA-CQSZACIVSA-N 2 0 340.468 -0.281 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001133896273 829695150 /nfs/dbraw/zinc/69/51/50/829695150.db2.gz GLCGWHSWSAEDAA-AWEZNQCLSA-N 2 0 340.468 -0.423 20 0 EBADRP CN(CC[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1)S(C)(=O)=O ZINC001133897096 829695248 /nfs/dbraw/zinc/69/52/48/829695248.db2.gz YUFRHYNIGHONRV-UHFFFAOYSA-N 2 0 334.486 -0.685 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133896735 829695323 /nfs/dbraw/zinc/69/53/23/829695323.db2.gz QVYAMCYAVCLSFU-UHFFFAOYSA-N 2 0 334.486 -0.637 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001133894048 829695349 /nfs/dbraw/zinc/69/53/49/829695349.db2.gz UWPCWLFKOYITLL-UHFFFAOYSA-N 2 0 339.440 -0.588 20 0 EBADRP COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133896726 829695473 /nfs/dbraw/zinc/69/54/73/829695473.db2.gz QLMNTYWNSMCHMQ-HUUCEWRRSA-N 2 0 345.484 -0.164 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)[NH+](C)C ZINC001133965696 829707227 /nfs/dbraw/zinc/70/72/27/829707227.db2.gz FPBICTRWJRWFIS-KGLIPLIRSA-N 2 0 336.440 -0.429 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001133968068 829707653 /nfs/dbraw/zinc/70/76/53/829707653.db2.gz MTYGXBARDGXWTQ-JQWIXIFHSA-N 2 0 327.429 -0.591 20 0 EBADRP C[C@@H](COCC(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O)[NH+]1CCCC1 ZINC001134021117 829713361 /nfs/dbraw/zinc/71/33/61/829713361.db2.gz RNWGXRDRGNUMGQ-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134058270 829719669 /nfs/dbraw/zinc/71/96/69/829719669.db2.gz HIFULYQZDAKRNJ-AWEZNQCLSA-N 2 0 328.457 -0.282 20 0 EBADRP C[C@@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)[NH+]1CCCCCC1 ZINC001134758117 829840257 /nfs/dbraw/zinc/84/02/57/829840257.db2.gz WMDRQSJKNHDJDA-AWEZNQCLSA-N 2 0 348.513 -0.152 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001134763148 829841960 /nfs/dbraw/zinc/84/19/60/829841960.db2.gz NZPWYGALMQOFHD-CYBMUJFWSA-N 2 0 341.456 -0.199 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135096074 829897766 /nfs/dbraw/zinc/89/77/66/829897766.db2.gz ZWCUEZQMPFQZFP-STQMWFEESA-N 2 0 339.440 -0.445 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1)C(=O)NC1CC1 ZINC001135118453 829900338 /nfs/dbraw/zinc/90/03/38/829900338.db2.gz NQIYUZHHHJMEBR-LBPRGKRZSA-N 2 0 336.440 -0.569 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135181467 829916989 /nfs/dbraw/zinc/91/69/89/829916989.db2.gz PUJQIQZCROGYQH-RYUDHWBXSA-N 2 0 341.456 -0.071 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CC(=O)N1CCOCC1)NC(=O)CC[NH+](C)C ZINC001135372916 829955216 /nfs/dbraw/zinc/95/52/16/829955216.db2.gz UFNCNFHKPUOXAJ-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CCCN1C(=O)CNC1=O)NC(=O)CC[NH+](C)C ZINC001135371766 829955243 /nfs/dbraw/zinc/95/52/43/829955243.db2.gz ITQFLPFJLLYPFR-CHWSQXEVSA-N 2 0 341.456 -0.247 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)[NH2+]CCCN1C(=O)CNC1=O ZINC001135371767 829955664 /nfs/dbraw/zinc/95/56/64/829955664.db2.gz ITQFLPFJLLYPFR-OLZOCXBDSA-N 2 0 341.456 -0.247 20 0 EBADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)C(C)C ZINC001135474407 829973281 /nfs/dbraw/zinc/97/32/81/829973281.db2.gz PHVQHJGUJFSSHC-NWDGAFQWSA-N 2 0 329.445 -0.358 20 0 EBADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O)C(C)C ZINC001135478022 829974179 /nfs/dbraw/zinc/97/41/79/829974179.db2.gz TWVFIFLVRSVUEK-JSGCOSHPSA-N 2 0 326.441 -0.136 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC001135513061 829979916 /nfs/dbraw/zinc/97/99/16/829979916.db2.gz FKEXGVINYYNVOU-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O ZINC001135513720 829980026 /nfs/dbraw/zinc/98/00/26/829980026.db2.gz WGATZOBPUXVJMU-CYBMUJFWSA-N 2 0 336.440 -0.427 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001135858118 830035262 /nfs/dbraw/zinc/03/52/62/830035262.db2.gz SWDPILZBHGUOAR-VXGBXAGGSA-N 2 0 326.445 -0.177 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)COCC[NH+](C)C)[NH2+]Cc1nnnn1C ZINC001135925105 830047245 /nfs/dbraw/zinc/04/72/45/830047245.db2.gz YILZZRPRZQVIQJ-NEPJUHHUSA-N 2 0 327.433 -0.839 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001135939197 830048552 /nfs/dbraw/zinc/04/85/52/830048552.db2.gz VZBPSHBQKXWYPP-WDEREUQCSA-N 2 0 325.413 -0.850 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)[NH2+]CC(=O)NC(N)=O ZINC001135939195 830049045 /nfs/dbraw/zinc/04/90/45/830049045.db2.gz VZBPSHBQKXWYPP-MNOVXSKESA-N 2 0 325.413 -0.850 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]C[C@@H]2CCc3ncnn32)CC1 ZINC001135959316 830051831 /nfs/dbraw/zinc/05/18/31/830051831.db2.gz NRPZXUMFMLWWDT-ZDUSSCGKSA-N 2 0 336.440 -0.418 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]CC(=O)N2CCCC2)CC1 ZINC001135958874 830052278 /nfs/dbraw/zinc/05/22/78/830052278.db2.gz HOEXKQGJXVKTIV-UHFFFAOYSA-N 2 0 326.441 -0.575 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001135979938 830056390 /nfs/dbraw/zinc/05/63/90/830056390.db2.gz KHXAFDRFKIFOSX-NEPJUHHUSA-N 2 0 329.445 -0.343 20 0 EBADRP C[NH+]1CC(C(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)C1 ZINC001142600563 830133684 /nfs/dbraw/zinc/13/36/84/830133684.db2.gz ASCVBIDNQBKYTL-UHFFFAOYSA-N 2 0 338.433 -0.506 20 0 EBADRP C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001145104785 830174361 /nfs/dbraw/zinc/17/43/61/830174361.db2.gz MCNZFLUQDMOOAZ-ZJUUUORDSA-N 2 0 331.417 -0.279 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146409600 830197213 /nfs/dbraw/zinc/19/72/13/830197213.db2.gz YLWDZOAWHQHADG-ZIAGYGMSSA-N 2 0 348.513 -0.106 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC001146599614 830212094 /nfs/dbraw/zinc/21/20/94/830212094.db2.gz CIWGLYIHEAXJKM-STQMWFEESA-N 2 0 336.502 -0.251 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)NC(=O)NCC(C)C ZINC001146711093 830223345 /nfs/dbraw/zinc/22/33/45/830223345.db2.gz OHGAMTPHDMMBJZ-UHFFFAOYSA-N 2 0 329.445 -0.484 20 0 EBADRP O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)C1CC[NH+](CC2CC2)CC1 ZINC001147338992 830325248 /nfs/dbraw/zinc/32/52/48/830325248.db2.gz DXJHERSUWRFFGM-CQSZACIVSA-N 2 0 336.436 -0.381 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147725093 830401429 /nfs/dbraw/zinc/40/14/29/830401429.db2.gz SEZOVFBJCHHYEZ-CABCVRRESA-N 2 0 325.453 -0.132 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CC2(C1)CC[N@H+](CCOCCO)C2)C1CC1 ZINC001147724197 830401499 /nfs/dbraw/zinc/40/14/99/830401499.db2.gz HFZLPDPWBNMWBQ-HNNXBMFYSA-N 2 0 325.453 -0.130 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001147848403 830420981 /nfs/dbraw/zinc/42/09/81/830420981.db2.gz NQFDWZYEKFLRHR-UHFFFAOYSA-N 2 0 335.470 -0.905 20 0 EBADRP CN(C(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C)c1ccccc1 ZINC001147848836 830421304 /nfs/dbraw/zinc/42/13/04/830421304.db2.gz XKLKYNOQGBULAG-UHFFFAOYSA-N 2 0 336.436 -0.067 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001147878269 830424759 /nfs/dbraw/zinc/42/47/59/830424759.db2.gz WYIDHOJUXJECMX-CYBMUJFWSA-N 2 0 326.441 -0.671 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001147886587 830425689 /nfs/dbraw/zinc/42/56/89/830425689.db2.gz XZYHOJYDLZIDAO-UONOGXRCSA-N 2 0 331.482 -0.141 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001147885612 830425703 /nfs/dbraw/zinc/42/57/03/830425703.db2.gz NQWLNMQWCUEUON-CYBMUJFWSA-N 2 0 332.470 -0.931 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001147884936 830425735 /nfs/dbraw/zinc/42/57/35/830425735.db2.gz INJJZAQMPBQAHV-ZIAGYGMSSA-N 2 0 331.482 -0.141 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]C[C@H](O)COCc1ccco1 ZINC001147891517 830426047 /nfs/dbraw/zinc/42/60/47/830426047.db2.gz AZPVYVUJUYXERQ-AWEZNQCLSA-N 2 0 343.424 -0.559 20 0 EBADRP Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)C[C@@H]3CC[N@H+](C)C3)C2=O)cn1 ZINC001147892574 830426903 /nfs/dbraw/zinc/42/69/03/830426903.db2.gz KEIFJLOYBCNJBZ-ZFWWWQNUSA-N 2 0 348.451 -0.427 20 0 EBADRP C[C@@H](NC(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C)c1ccco1 ZINC001147892997 830427471 /nfs/dbraw/zinc/42/74/71/830427471.db2.gz NFAKMSCQMFNHTJ-CYBMUJFWSA-N 2 0 340.424 -0.259 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001147899901 830428261 /nfs/dbraw/zinc/42/82/61/830428261.db2.gz BYOJPHGMNIEXPK-GJZGRUSLSA-N 2 0 343.468 -0.410 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001147899903 830428597 /nfs/dbraw/zinc/42/85/97/830428597.db2.gz BYOJPHGMNIEXPK-LSDHHAIUSA-N 2 0 343.468 -0.410 20 0 EBADRP O=C(NCC[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)C12CC[NH+](CC1)C2 ZINC001147994385 830435747 /nfs/dbraw/zinc/43/57/47/830435747.db2.gz GIRIJVFOZXCOSH-LLVKDONJSA-N 2 0 348.369 -0.049 20 0 EBADRP CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001148000480 830436955 /nfs/dbraw/zinc/43/69/55/830436955.db2.gz QSRMWMOQDWWWBR-CQSZACIVSA-N 2 0 340.468 -0.281 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148051204 830443541 /nfs/dbraw/zinc/44/35/41/830443541.db2.gz BZDYTVSCQMUAAJ-UHFFFAOYSA-N 2 0 337.424 -0.380 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148051537 830443822 /nfs/dbraw/zinc/44/38/22/830443822.db2.gz NLMWYOCEFBFIGN-ZDUSSCGKSA-N 2 0 340.424 -0.509 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001148051508 830444080 /nfs/dbraw/zinc/44/40/80/830444080.db2.gz MDXRDYWPQXMXNE-UHFFFAOYSA-N 2 0 343.453 -0.642 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)c2c[nH+]ccc2N(C)C)CCO1 ZINC001148057386 830445367 /nfs/dbraw/zinc/44/53/67/830445367.db2.gz IKPJGXVISPIKFI-ZDUSSCGKSA-N 2 0 349.435 -0.286 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148174774 830452436 /nfs/dbraw/zinc/45/24/36/830452436.db2.gz UUJAAZSRFJMKCP-GFCCVEGCSA-N 2 0 339.440 -0.554 20 0 EBADRP CC(=O)NCCOCC[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148215574 830458110 /nfs/dbraw/zinc/45/81/10/830458110.db2.gz BPBIZXPGSNDCAY-UHFFFAOYSA-N 2 0 340.468 -0.375 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CCCNS(=O)(=O)CC ZINC001148570782 830509302 /nfs/dbraw/zinc/50/93/02/830509302.db2.gz LVMHTQAXZVNNEX-UHFFFAOYSA-N 2 0 336.502 -0.247 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001148572280 830511477 /nfs/dbraw/zinc/51/14/77/830511477.db2.gz BNPUAGCAWBJCOH-AWEZNQCLSA-N 2 0 328.457 -0.593 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001148577941 830511534 /nfs/dbraw/zinc/51/15/34/830511534.db2.gz KZTXMOKYXPNCAB-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP CCN(C)C(=O)C[N@@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148605743 830516171 /nfs/dbraw/zinc/51/61/71/830516171.db2.gz SYUOWUUIPAGQPK-UHFFFAOYSA-N 2 0 340.468 -0.423 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC(=O)NC(=O)NCC(C)C ZINC001148643363 830523234 /nfs/dbraw/zinc/52/32/34/830523234.db2.gz WXYNUQIVKYQIEY-UHFFFAOYSA-N 2 0 329.445 -0.484 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NCCCOCC ZINC001148655658 830524558 /nfs/dbraw/zinc/52/45/58/830524558.db2.gz QRTNPQQXEMMGJS-AWEZNQCLSA-N 2 0 330.473 -0.035 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC001148655179 830525278 /nfs/dbraw/zinc/52/52/78/830525278.db2.gz JMTMNSHARBDHAQ-UONOGXRCSA-N 2 0 328.457 -0.282 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NC[C@H]1C[NH+](CCOCCO)CCCO1 ZINC001150318601 830861940 /nfs/dbraw/zinc/86/19/40/830861940.db2.gz SFIKYGNBCXGECO-HOTGVXAUSA-N 2 0 343.468 -0.313 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CCn2cncn2)CCCO1 ZINC001150470626 830909389 /nfs/dbraw/zinc/90/93/89/830909389.db2.gz STIIRWJHXABYEV-OAHLLOKOSA-N 2 0 338.456 -0.173 20 0 EBADRP C[NH+]1CCC(OCC(=O)NC[C@@H]2C[N@H+](CCO)CCCO2)CC1 ZINC001150507576 830919294 /nfs/dbraw/zinc/91/92/94/830919294.db2.gz HOUPIKFJJNFDCD-OAHLLOKOSA-N 2 0 329.441 -0.703 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NC(=O)NC(C)(C)C ZINC001151049679 831016375 /nfs/dbraw/zinc/01/63/75/831016375.db2.gz WAERSSFNVIUKKO-RYUDHWBXSA-N 2 0 341.456 -0.343 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC2CCCC2)C1 ZINC001151049432 831016593 /nfs/dbraw/zinc/01/65/93/831016593.db2.gz OPIJMAPFUFQKKF-GFCCVEGCSA-N 2 0 339.440 -0.588 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NCCOc2ccccc2)C1 ZINC001151066314 831020538 /nfs/dbraw/zinc/02/05/38/831020538.db2.gz SIYYYAORBACPPK-OAHLLOKOSA-N 2 0 348.447 -0.161 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)NCC1CCC1 ZINC001151152295 831031664 /nfs/dbraw/zinc/03/16/64/831031664.db2.gz NUAYEQTXHWNWNX-AWEZNQCLSA-N 2 0 340.468 -0.423 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)N1CCCCC1 ZINC001151152951 831032741 /nfs/dbraw/zinc/03/27/41/831032741.db2.gz YPFKBTVUGQHHDV-HNNXBMFYSA-N 2 0 340.468 -0.327 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001151160630 831037523 /nfs/dbraw/zinc/03/75/23/831037523.db2.gz WXBCLUTVSPLAEQ-CHWSQXEVSA-N 2 0 326.441 -0.672 20 0 EBADRP O=C(CCC[NH+]1CCCCC1)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001151362640 831061222 /nfs/dbraw/zinc/06/12/22/831061222.db2.gz ZCHUVZBEDHYRDY-UHFFFAOYSA-N 2 0 339.440 -0.490 20 0 EBADRP O=C(CCC[NH+]1CCCC1)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001152223280 831143804 /nfs/dbraw/zinc/14/38/04/831143804.db2.gz KSGJVYYLPPCKRT-UHFFFAOYSA-N 2 0 339.440 -0.444 20 0 EBADRP O=C(CCC[NH+]1CCCC1)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001152237297 831144637 /nfs/dbraw/zinc/14/46/37/831144637.db2.gz LWXCPEZTYNBGLK-UHFFFAOYSA-N 2 0 339.440 -0.490 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001152245462 831144927 /nfs/dbraw/zinc/14/49/27/831144927.db2.gz GZASYJKGNWBTPP-LBPRGKRZSA-N 2 0 349.435 -0.088 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccccc1C[NH+](C)C ZINC001152384281 831156262 /nfs/dbraw/zinc/15/62/62/831156262.db2.gz PGOBXSHHHPEPII-GFCCVEGCSA-N 2 0 349.435 -0.088 20 0 EBADRP CC[N@H+](CCN(C)S(C)(=O)=O)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152391698 831157518 /nfs/dbraw/zinc/15/75/18/831157518.db2.gz DLJXZTIOOZAHFC-KGLIPLIRSA-N 2 0 348.513 -0.201 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001152452117 831163958 /nfs/dbraw/zinc/16/39/58/831163958.db2.gz SPZWKRSIYPAMCB-CABCVRRESA-N 2 0 340.468 -0.138 20 0 EBADRP CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152445864 831164286 /nfs/dbraw/zinc/16/42/86/831164286.db2.gz PUGNUGIQIFTXRJ-CQSZACIVSA-N 2 0 330.473 -0.036 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001152451615 831164416 /nfs/dbraw/zinc/16/44/16/831164416.db2.gz ATOGROPPWDHCAS-AWEZNQCLSA-N 2 0 346.497 -0.398 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001152452119 831164466 /nfs/dbraw/zinc/16/44/66/831164466.db2.gz SPZWKRSIYPAMCB-HUUCEWRRSA-N 2 0 340.468 -0.138 20 0 EBADRP CC(C)[C@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)[NH+]1CCCCC1 ZINC001152479756 831166598 /nfs/dbraw/zinc/16/65/98/831166598.db2.gz JSHFBSZLSUDBMT-CQSZACIVSA-N 2 0 348.513 -0.248 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCCC[NH+]1CCCC1 ZINC001153314531 831221733 /nfs/dbraw/zinc/22/17/33/831221733.db2.gz LJGDXUDWGDQGDH-UHFFFAOYSA-N 2 0 341.456 -0.196 20 0 EBADRP C[C@@H](CN1CC[NH2+]CC1)Nc1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001154751364 831361474 /nfs/dbraw/zinc/36/14/74/831361474.db2.gz FTKCZCROJHYXJF-AWEZNQCLSA-N 2 0 332.452 -0.167 20 0 EBADRP CC[N@H+](CCN1CCCS1(=O)=O)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999104 831379265 /nfs/dbraw/zinc/37/92/65/831379265.db2.gz CLJZRQDBDCKYNS-CQSZACIVSA-N 2 0 348.513 -0.200 20 0 EBADRP c1cc(N2CC[NH2+]CC2)nnc1NCc1nnc2n1CCC[NH2+]C2 ZINC001155424557 831405091 /nfs/dbraw/zinc/40/50/91/831405091.db2.gz HETQHNZVZUBMBL-UHFFFAOYSA-N 2 0 329.412 -0.417 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC1CCOCC1 ZINC001155791054 831429675 /nfs/dbraw/zinc/42/96/75/831429675.db2.gz RMLHFFOFPZUVSU-AWEZNQCLSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(=O)NC(=O)NC1CC1 ZINC001155821844 831433937 /nfs/dbraw/zinc/43/39/37/831433937.db2.gz DCNVTHFPJCASHG-YPMHNXCESA-N 2 0 339.440 -0.447 20 0 EBADRP CC[N@H+](CCN1CCNC1=O)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156390795 831473381 /nfs/dbraw/zinc/47/33/81/831473381.db2.gz XJHRJEZZRCIFDL-CQSZACIVSA-N 2 0 343.472 -0.584 20 0 EBADRP CCOC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCC[NH3+])[NH2+]C ZINC001157082110 831533463 /nfs/dbraw/zinc/53/34/63/831533463.db2.gz ICNULXQPYBRHIC-STQMWFEESA-N 2 0 325.413 -0.283 20 0 EBADRP [NH3+]Cc1cc(N([C@H]2CC[NH2+]C2)S(=O)(=O)c2ccccn2)ncn1 ZINC001157097176 831534440 /nfs/dbraw/zinc/53/44/40/831534440.db2.gz YYWDRIVYRZDJOB-LBPRGKRZSA-N 2 0 334.405 -0.113 20 0 EBADRP NC(=O)CC[C@H]([NH3+])CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157371767 831561925 /nfs/dbraw/zinc/56/19/25/831561925.db2.gz YWODCTMVCQGMQX-STQMWFEESA-N 2 0 341.456 -0.795 20 0 EBADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)CC1 ZINC001157738640 831589009 /nfs/dbraw/zinc/58/90/09/831589009.db2.gz ASGXVVTWTLAXBW-SWLSCSKDSA-N 2 0 326.416 -0.218 20 0 EBADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)CC1 ZINC001157738639 831589058 /nfs/dbraw/zinc/58/90/58/831589058.db2.gz ASGXVVTWTLAXBW-IUODEOHRSA-N 2 0 326.416 -0.218 20 0 EBADRP C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C[C@@H]1[NH3+] ZINC001157798887 831593712 /nfs/dbraw/zinc/59/37/12/831593712.db2.gz GJYLLJUSNHXBHI-AGIUHOORSA-N 2 0 329.466 -0.404 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001157886515 831603370 /nfs/dbraw/zinc/60/33/70/831603370.db2.gz ILXKMZQDOANOJI-CQSZACIVSA-N 2 0 325.457 -0.020 20 0 EBADRP Cn1[nH]c(C[NH2+]CCCNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)nc1=O ZINC001158040474 831622735 /nfs/dbraw/zinc/62/27/35/831622735.db2.gz WZCFVMDASANMFW-STQMWFEESA-N 2 0 336.440 -0.421 20 0 EBADRP [NH3+]Cc1cccc(-c2nnn(-c3ccc(N4CC[NH2+]CC4)nn3)n2)c1 ZINC001158042769 831622856 /nfs/dbraw/zinc/62/28/56/831622856.db2.gz NEUBEGFRQACJJF-UHFFFAOYSA-N 2 0 337.391 -0.012 20 0 EBADRP O=C([C@H]1CNC(=O)C12CC[NH2+]CC2)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158070851 831624921 /nfs/dbraw/zinc/62/49/21/831624921.db2.gz OOXWGLJCBNPXBH-CYBMUJFWSA-N 2 0 336.436 -0.917 20 0 EBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158076339 831625033 /nfs/dbraw/zinc/62/50/33/831625033.db2.gz FJSFCJCPHHQBLY-AWEZNQCLSA-N 2 0 326.441 -0.399 20 0 EBADRP O=C(C[C@@H]1Cc2ccccc2C[NH2+]1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158092296 831627302 /nfs/dbraw/zinc/62/73/02/831627302.db2.gz MVGFGHKUNVMKJD-MAUKXSAKSA-N 2 0 328.416 -0.219 20 0 EBADRP O=C([C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158093536 831627365 /nfs/dbraw/zinc/62/73/65/831627365.db2.gz WUZMJKPHIMNDOO-XKQJLSEDSA-N 2 0 336.436 -0.774 20 0 EBADRP O=C([C@@H]1COC2(C1)CC[NH2+]CC2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158111275 831629217 /nfs/dbraw/zinc/62/92/17/831629217.db2.gz MSHAPMAOWLEGJM-SCLBCKFNSA-N 2 0 348.447 -0.917 20 0 EBADRP [NH3+][C@H](CC(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)Cc1cccs1 ZINC001158111820 831629294 /nfs/dbraw/zinc/62/92/94/831629294.db2.gz ROEMQJRSZCLEIL-YVEFUNNKSA-N 2 0 348.472 -0.054 20 0 EBADRP O=C([C@H]1C[NH2+]CCC1(F)F)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158118635 831629779 /nfs/dbraw/zinc/62/97/79/831629779.db2.gz CBLZTSYTPICUOO-QMTHXVAHSA-N 2 0 328.363 -0.831 20 0 EBADRP O=C(N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)C(F)(F)C1CC[NH2+]CC1 ZINC001158119344 831629873 /nfs/dbraw/zinc/62/98/73/831629873.db2.gz FYIVTXBQTONILJ-OAHLLOKOSA-N 2 0 342.390 -0.441 20 0 EBADRP [NH3+]C[C@@H](C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)c1ccccc1 ZINC001158121969 831630984 /nfs/dbraw/zinc/63/09/84/831630984.db2.gz YVHLSXBYTWWDMX-KDOFPFPSSA-N 2 0 328.416 -0.333 20 0 EBADRP [NH3+][C@@H](CO)Cc1cncn1-c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001158206189 831638958 /nfs/dbraw/zinc/63/89/58/831638958.db2.gz BVKKVIYKLLEGGX-GFCCVEGCSA-N 2 0 330.392 -0.825 20 0 EBADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158262979 831641624 /nfs/dbraw/zinc/64/16/24/831641624.db2.gz XASIIRUQWSVQMT-MRXNPFEDSA-N 2 0 334.424 -0.796 20 0 EBADRP O=C(c1ccc2c(c1)[C@@H]1C[NH2+]C[C@H]1NC2=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158313228 831644929 /nfs/dbraw/zinc/64/49/29/831644929.db2.gz IDDTXBOTCBBPTQ-DANNLKNASA-N 2 0 326.400 -0.081 20 0 EBADRP O=C([C@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158305939 831645236 /nfs/dbraw/zinc/64/52/36/831645236.db2.gz MFBGSYLJKHFBAU-HMECXNKFSA-N 2 0 326.400 -0.084 20 0 EBADRP CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001158413892 831652754 /nfs/dbraw/zinc/65/27/54/831652754.db2.gz BTOFZNDHOOJQPD-OGHNNQOOSA-N 2 0 337.420 -0.634 20 0 EBADRP COc1ccc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)nn1 ZINC001158486585 831658459 /nfs/dbraw/zinc/65/84/59/831658459.db2.gz OSEANZBLEQLZPE-HUUCEWRRSA-N 2 0 349.435 -0.056 20 0 EBADRP CCCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158486275 831658515 /nfs/dbraw/zinc/65/85/15/831658515.db2.gz IVCSXOQXXLOMGY-CABCVRRESA-N 2 0 340.468 -0.138 20 0 EBADRP Cn1ccc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1=O ZINC001158486056 831659088 /nfs/dbraw/zinc/65/90/88/831659088.db2.gz DKUAMMHXANNMPL-HZPDHXFCSA-N 2 0 348.447 -0.156 20 0 EBADRP CCn1ncc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001158487272 831659502 /nfs/dbraw/zinc/65/95/02/831659502.db2.gz XNIQSOSYIQZYKO-HUUCEWRRSA-N 2 0 336.440 -0.243 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCCC1 ZINC001158487197 831659870 /nfs/dbraw/zinc/65/98/70/831659870.db2.gz WOYRWDGTTWDPIR-LSDHHAIUSA-N 2 0 338.452 -0.432 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001158496422 831661127 /nfs/dbraw/zinc/66/11/27/831661127.db2.gz MZSAGBVMDVBKAZ-JFILPPLUSA-N 2 0 325.409 -0.757 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)COC1CC[NH2+]CC1 ZINC001158496714 831661261 /nfs/dbraw/zinc/66/12/61/831661261.db2.gz ZELYOBUTZBLUHE-FPMFFAJLSA-N 2 0 325.409 -0.493 20 0 EBADRP O=C(NCCC[NH2+]Cc1cnns1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158508869 831662284 /nfs/dbraw/zinc/66/22/84/831662284.db2.gz XHOFPOWLAZFMSW-WCQYABFASA-N 2 0 325.438 -0.003 20 0 EBADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001158630512 831671159 /nfs/dbraw/zinc/67/11/59/831671159.db2.gz RYXOSNQJUCPSCW-XQQFMLRXSA-N 2 0 328.457 -0.204 20 0 EBADRP O=C([C@@H]1C[NH2+]CCN1)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158657313 831675382 /nfs/dbraw/zinc/67/53/82/831675382.db2.gz BEUQHEFTBIMGPE-LBPRGKRZSA-N 2 0 343.391 -0.795 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158661691 831676577 /nfs/dbraw/zinc/67/65/77/831676577.db2.gz YZPOSMDGFPGZOR-LBPRGKRZSA-N 3 0 345.407 -0.290 20 0 EBADRP CC(C)[N@H+](C)Cc1[nH]nc2c1CCN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001158856412 831691762 /nfs/dbraw/zinc/69/17/62/831691762.db2.gz PMSHTQGXQTXCRM-CQSZACIVSA-N 3 0 346.479 -0.056 20 0 EBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158900207 831694460 /nfs/dbraw/zinc/69/44/60/831694460.db2.gz ASWGQUCMPJKZJF-GWIFVGGISA-N 2 0 349.410 -0.379 20 0 EBADRP [NH3+][C@H](C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1)C1CC[NH2+]CC1 ZINC001158968098 831698773 /nfs/dbraw/zinc/69/87/73/831698773.db2.gz LRMXBUJFTWPKLC-ILXRZTDVSA-N 2 0 346.435 -0.781 20 0 EBADRP CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C[C@H]21 ZINC001159109510 831708911 /nfs/dbraw/zinc/70/89/11/831708911.db2.gz YHMSCXMDIJAODO-MROQNXINSA-N 2 0 344.481 -0.995 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001159155093 831712355 /nfs/dbraw/zinc/71/23/55/831712355.db2.gz ISZNCELPMILAHO-GFCCVEGCSA-N 2 0 347.435 -0.392 20 0 EBADRP CO[C@@H]1CCN(C(=O)CNCC[NH3+])[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001159317458 831739352 /nfs/dbraw/zinc/73/93/52/831739352.db2.gz VDKROUPSFZQWFH-GVDBMIGSSA-N 2 0 347.463 -0.322 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001159355510 831743758 /nfs/dbraw/zinc/74/37/58/831743758.db2.gz FSDUNMHWCMLEEX-CHWSQXEVSA-N 2 0 341.456 -0.199 20 0 EBADRP Nc1ncn(C2=CCC[NH2+]C2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001159395930 831749270 /nfs/dbraw/zinc/74/92/70/831749270.db2.gz HNKVZPFWLFZVQL-PWSUYJOCSA-N 2 0 338.843 -0.176 20 0 EBADRP O=C([C@@H]1C[NH2+]C[C@H]1O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159402693 831750014 /nfs/dbraw/zinc/75/00/14/831750014.db2.gz IYNJNNRSNFBVMN-VQJWOFKYSA-N 2 0 347.419 -0.986 20 0 EBADRP [NH3+]CCC[NH2+]CC(=O)N1Cc2ccnn2C[C@H](C(=O)N2CCCC2)C1 ZINC001159493921 831756752 /nfs/dbraw/zinc/75/67/52/831756752.db2.gz YMFHLXFLOOVFEL-CQSZACIVSA-N 2 0 348.451 -0.598 20 0 EBADRP O=C([C@H]1C[NH2+]CCN1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666001 831769752 /nfs/dbraw/zinc/76/97/52/831769752.db2.gz NPOKSLZBMVIOIY-IXDOHACOSA-N 2 0 345.447 -0.555 20 0 EBADRP O=C([C@H]1C[NH2+]CCN1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159665998 831769791 /nfs/dbraw/zinc/76/97/91/831769791.db2.gz NPOKSLZBMVIOIY-BRWVUGGUSA-N 2 0 345.447 -0.555 20 0 EBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159665304 831770556 /nfs/dbraw/zinc/77/05/56/831770556.db2.gz JGIKDLZZMTTZGT-QBPKDAKJSA-N 2 0 346.431 -0.394 20 0 EBADRP Cn1cc(N2C[C@@]3(CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C3)CC2=O)cn1 ZINC001159750403 831778583 /nfs/dbraw/zinc/77/85/83/831778583.db2.gz KEEOKLCJGFUWBE-BBRMVZONSA-N 2 0 334.424 -0.558 20 0 EBADRP CS(=O)(=O)c1nc2c(c(N[C@@H](N)CCC[NH3+])n1)CC[NH2+]CC2 ZINC001159779993 831782169 /nfs/dbraw/zinc/78/21/69/831782169.db2.gz MSQZTHNLAZAZPD-LLVKDONJSA-N 2 0 328.442 -0.996 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159854970 831789049 /nfs/dbraw/zinc/78/90/49/831789049.db2.gz YBNJTRZWAHHYPS-UHFFFAOYSA-N 2 0 328.457 -0.281 20 0 EBADRP O=C(NCCC[NH2+][C@@H]1CCNC1=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001159868821 831791371 /nfs/dbraw/zinc/79/13/71/831791371.db2.gz MNPJBYLRMVPFSD-CABCVRRESA-N 2 0 338.452 -0.386 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159914650 831797281 /nfs/dbraw/zinc/79/72/81/831797281.db2.gz FHEZYOYDYXFOAU-WCQYABFASA-N 2 0 341.456 -0.343 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159932423 831799246 /nfs/dbraw/zinc/79/92/46/831799246.db2.gz QTHLZUXQZIRAKA-CYBMUJFWSA-N 2 0 334.486 -0.638 20 0 EBADRP COC[C@@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159997309 831803401 /nfs/dbraw/zinc/80/34/01/831803401.db2.gz LLKKYYMBPMNTKW-GDBMZVCRSA-N 2 0 345.484 -0.021 20 0 EBADRP C[N@H+](CC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCCO1)C1CCC1 ZINC001159997601 831804628 /nfs/dbraw/zinc/80/46/28/831804628.db2.gz TWYGSOKFDRWQRU-HNNXBMFYSA-N 2 0 340.468 -0.138 20 0 EBADRP O=C(NC1CCC1)[C@H]1C[C@H]2CN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]2C1 ZINC001160191315 831823557 /nfs/dbraw/zinc/82/35/57/831823557.db2.gz JTLLLGKVSAEGBG-AYDFFVQHSA-N 2 0 346.475 -0.051 20 0 EBADRP CC(C)N(C)Cc1nnc2n1CCCN(C(=O)[C@H]([NH3+])CCC[NH3+])C2 ZINC001160381886 831842482 /nfs/dbraw/zinc/84/24/82/831842482.db2.gz GUKQRMJEYRNFGY-CYBMUJFWSA-N 2 0 337.472 -0.083 20 0 EBADRP O=C(N1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160405734 831844895 /nfs/dbraw/zinc/84/48/95/831844895.db2.gz YVABPCSVKBWHBI-ORDFZIBCSA-N 2 0 335.448 -0.162 20 0 EBADRP [NH3+]CCNCC(=O)N(Cc1ncn2c1C[NH2+]CCC2)c1ncccn1 ZINC001160408729 831845319 /nfs/dbraw/zinc/84/53/19/831845319.db2.gz UEFNMKKBEVSNBI-UHFFFAOYSA-N 2 0 344.423 -0.752 20 0 EBADRP CCOC(=O)C1=C(O)CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001160428030 831848715 /nfs/dbraw/zinc/84/87/15/831848715.db2.gz OZKCOSSPAYXXGN-JSGCOSHPSA-N 2 0 325.409 -0.316 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC001160506612 831858074 /nfs/dbraw/zinc/85/80/74/831858074.db2.gz OSLKQEORUONIME-STQMWFEESA-N 2 0 344.481 -0.755 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160584744 831867224 /nfs/dbraw/zinc/86/72/24/831867224.db2.gz FQLGYDOHASUVNF-ZDUSSCGKSA-N 3 0 331.420 -0.091 20 0 EBADRP CS(=O)(=O)CCCN1CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001160584779 831867464 /nfs/dbraw/zinc/86/74/64/831867464.db2.gz GSSYCBICIIKWJO-ZDUSSCGKSA-N 2 0 334.486 -0.978 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001160630342 831872009 /nfs/dbraw/zinc/87/20/09/831872009.db2.gz XJWCSVJRVFFAPK-NVXWUHKLSA-N 3 0 325.501 -0.330 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160629556 831872032 /nfs/dbraw/zinc/87/20/32/831872032.db2.gz QHWXSZYMHJKNID-HNNXBMFYSA-N 3 0 325.501 -0.473 20 0 EBADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160647194 831875124 /nfs/dbraw/zinc/87/51/24/831875124.db2.gz AGHMXMUSGGLALP-TUAOUCFPSA-N 2 0 338.387 -0.788 20 0 EBADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@@]23C(=O)Nc2ccccc23)C[C@@H]1F ZINC001160650451 831876193 /nfs/dbraw/zinc/87/61/93/831876193.db2.gz WOWJDZAAMYQSGI-JRATXPSKSA-N 2 0 332.379 -0.006 20 0 EBADRP CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1 ZINC001160695835 831879211 /nfs/dbraw/zinc/87/92/11/831879211.db2.gz RAZIPALHDLSFGE-KBPBESRZSA-N 2 0 348.451 -0.228 20 0 EBADRP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CCS(=O)(=O)CC4)C[C@H]2C1 ZINC001160704683 831879873 /nfs/dbraw/zinc/87/98/73/831879873.db2.gz MWIIVIJGEDWIKL-MJBXVCDLSA-N 2 0 341.477 -0.579 20 0 EBADRP CCNC(=O)CO[C@H]1CCCN(C(=O)[C@H](CCCC[NH3+])[NH2+]C)C1 ZINC001160746841 831881419 /nfs/dbraw/zinc/88/14/19/831881419.db2.gz NQRFBSPUQUCWOZ-KBPBESRZSA-N 2 0 328.457 -0.153 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC(OCC(=O)NC2CC2)CC1 ZINC001160742943 831881810 /nfs/dbraw/zinc/88/18/10/831881810.db2.gz SSWUJVDPKRQYRG-AWEZNQCLSA-N 2 0 326.441 -0.271 20 0 EBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCC2(CC1)CNC(=O)CO2 ZINC001160771560 831884827 /nfs/dbraw/zinc/88/48/27/831884827.db2.gz AEPLYXGLLJKVSN-ZDUSSCGKSA-N 2 0 326.441 -0.447 20 0 EBADRP [NH3+]CCC[NH2+]CC(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC001160767494 831885294 /nfs/dbraw/zinc/88/52/94/831885294.db2.gz ZBFJMQWJFYLUAW-GASCZTMLSA-N 2 0 344.415 -0.432 20 0 EBADRP CCOC(=O)[C@H]1c2nc[nH]c2CCN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160789733 831886656 /nfs/dbraw/zinc/88/66/56/831886656.db2.gz YXPRRMCMCJHTMJ-JOYOIKCWSA-N 2 0 341.437 -0.582 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@]34CC[C@H]3C[NH2+]C4)C[C@H]1C2 ZINC001160791886 831887245 /nfs/dbraw/zinc/88/72/45/831887245.db2.gz HALADLJEKCXJHY-ZRGCGHPPSA-N 2 0 333.432 -0.157 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)[C@]3(C)CC[NH2+]C[C@H]3O)C[C@H]1C[NH2+]CC2 ZINC001160811598 831889369 /nfs/dbraw/zinc/88/93/69/831889369.db2.gz QSPNRKKDZJLDNH-BQGCOEIASA-N 2 0 339.436 -0.652 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)C[C@H]3C[NH2+]CCO3)C[C@H]1C[NH2+]CC2 ZINC001160813285 831889954 /nfs/dbraw/zinc/88/99/54/831889954.db2.gz YUFVIGOKWTZXFA-DVOMOZLQSA-N 2 0 325.409 -0.634 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]([NH3+])CC[S@](C)=O)C[C@H]1C[NH2+]CC2 ZINC001160813129 831890199 /nfs/dbraw/zinc/89/01/99/831890199.db2.gz VCJOTNGVLSYOND-NSICUMQXSA-N 2 0 345.465 -0.917 20 0 EBADRP CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160823491 831891928 /nfs/dbraw/zinc/89/19/28/831891928.db2.gz HGJRTNXIZKQEON-YPMHNXCESA-N 2 0 333.392 -0.792 20 0 EBADRP COC(=O)C[C@H]1CCCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001160833759 831892474 /nfs/dbraw/zinc/89/24/74/831892474.db2.gz UASSSBJIXHHVMU-OCCSQVGLSA-N 2 0 326.441 -0.462 20 0 EBADRP C[NH+](C)C[C@@H]1COCCN1C(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC001160838956 831893163 /nfs/dbraw/zinc/89/31/63/831893163.db2.gz MGBDXNOZZLPQHT-CVEARBPZSA-N 2 0 348.447 -0.538 20 0 EBADRP COc1cccnc1N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001160846997 831893857 /nfs/dbraw/zinc/89/38/57/831893857.db2.gz USVQTUZUILCPMI-RDTXWAMCSA-N 2 0 345.447 -0.062 20 0 EBADRP CC[C@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001160889322 831903687 /nfs/dbraw/zinc/90/36/87/831903687.db2.gz IFFUHIYUJLHWBV-WCQYABFASA-N 2 0 341.456 -0.201 20 0 EBADRP CC[C@H](C(=O)NCCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C)[NH+](C)C ZINC001160889058 831904124 /nfs/dbraw/zinc/90/41/24/831904124.db2.gz AVRBFXPPESBMGK-QWHCGFSZSA-N 2 0 343.472 -0.985 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCOC[C@@H]1c1cccnc1 ZINC001160952691 831909941 /nfs/dbraw/zinc/90/99/41/831909941.db2.gz YVMBKKWYRDCXPB-HZPDHXFCSA-N 2 0 333.436 -0.268 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)CC(F)(F)C1 ZINC001160967126 831911011 /nfs/dbraw/zinc/91/10/11/831911011.db2.gz JASGGRLDNTYILB-UWVGGRQHSA-N 2 0 341.366 -0.881 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160971066 831911691 /nfs/dbraw/zinc/91/16/91/831911691.db2.gz DORIKIQRCQDHFN-OLZOCXBDSA-N 2 0 340.374 -0.133 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)c2cnc(N3CC[NH2+]CC3)cn2)CC(F)(F)C1 ZINC001160970637 831911794 /nfs/dbraw/zinc/91/17/94/831911794.db2.gz ABPNJJNQWZHOCY-JTQLQIEISA-N 2 0 326.351 -0.305 20 0 EBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001160991813 831912318 /nfs/dbraw/zinc/91/23/18/831912318.db2.gz GJUFRNCKVISMPG-STQMWFEESA-N 2 0 326.441 -0.855 20 0 EBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCC2(CC1)OC(=O)c1ccncc12 ZINC001161010749 831913897 /nfs/dbraw/zinc/91/38/97/831913897.db2.gz MEIPGGYTQWTOGZ-CQSZACIVSA-N 2 0 342.399 -0.121 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161043014 831916937 /nfs/dbraw/zinc/91/69/37/831916937.db2.gz WIUKXWFADOYMSF-CQSZACIVSA-N 2 0 348.513 -0.104 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001161042396 831917674 /nfs/dbraw/zinc/91/76/74/831917674.db2.gz QEAHSODELQRHCI-CQSZACIVSA-N 2 0 326.441 -0.575 20 0 EBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2C[C@H]3CCC[N@H+](C)[C@H]3C2)COC1(C)C ZINC001161083830 831920979 /nfs/dbraw/zinc/92/09/79/831920979.db2.gz UOOLFLLVHXRBPU-CRWXNKLISA-N 2 0 338.452 -0.150 20 0 EBADRP COC(=O)[C@]1(N)CCN(C(=O)[C@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)C1 ZINC001161137734 831929863 /nfs/dbraw/zinc/92/98/63/831929863.db2.gz GLZSIAKKJAFGCO-GUYCJALGSA-N 2 0 338.452 -0.447 20 0 EBADRP C[C@H]1CN(C(=O)[C@@H]([NH3+])CCCNC(=O)c2cnccn2)C[C@H](C)[NH2+]1 ZINC001161229342 831938765 /nfs/dbraw/zinc/93/87/65/831938765.db2.gz KEUVGXFMNUMLSH-AVGNSLFASA-N 2 0 334.424 -0.477 20 0 EBADRP C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@H](C)[NH2+]1 ZINC001161229104 831938787 /nfs/dbraw/zinc/93/87/87/831938787.db2.gz CUXDSJRGSTXBDJ-AJNGGQMLSA-N 3 0 339.484 -0.358 20 0 EBADRP CN(C(=O)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161221596 831938927 /nfs/dbraw/zinc/93/89/27/831938927.db2.gz OEPJDXYGESPUGL-IDTSFGKNSA-N 2 0 342.403 -0.320 20 0 EBADRP [NH3+]C[C@]1(F)CCN(C(=O)c2ccc3c(c2)[C@H]2C[NH2+]C[C@H]2NC3=O)C1 ZINC001161245340 831941077 /nfs/dbraw/zinc/94/10/77/831941077.db2.gz CRDRJFJDWAPXSE-CKEIUWERSA-N 2 0 332.379 -0.002 20 0 EBADRP NC(=O)NCCC[C@H]([NH3+])C(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161271184 831943734 /nfs/dbraw/zinc/94/37/34/831943734.db2.gz WWKNYECJKCSZGF-GJZGRUSLSA-N 2 0 348.451 -0.062 20 0 EBADRP CC(C)N(C(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)[C@H]1CC[NH2+]C1 ZINC001161350631 831950926 /nfs/dbraw/zinc/95/09/26/831950926.db2.gz ABEPGPCBJQCIRA-UONOGXRCSA-N 2 0 343.493 0.000 20 0 EBADRP [NH3+]C1CCN([C@@H]2CCN(C(=O)[C@H]3C[NH2+]Cc4ccnn4C3)C2)CC1 ZINC001161373312 831951233 /nfs/dbraw/zinc/95/12/33/831951233.db2.gz NYSNRGRJIAJBKT-XJKSGUPXSA-N 2 0 332.452 -0.374 20 0 EBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161387618 831952886 /nfs/dbraw/zinc/95/28/86/831952886.db2.gz DHRAGUXBKLSAQF-CVEARBPZSA-N 2 0 340.468 -0.057 20 0 EBADRP CN(CCC(=O)NCCC[NH2+]CC(=O)NC(N)=O)c1cc[nH+]cc1 ZINC001161408374 831954953 /nfs/dbraw/zinc/95/49/53/831954953.db2.gz VXLXVWOXZVUFKB-UHFFFAOYSA-N 2 0 336.396 -0.801 20 0 EBADRP C[NH+](C)CCN(C(=O)CN1CCCC[C@H]([NH3+])C1=O)[C@H]1CCC[NH2+]C1 ZINC001161444034 831957996 /nfs/dbraw/zinc/95/79/96/831957996.db2.gz AEICHKRNEWRFPA-GJZGRUSLSA-N 3 0 339.484 -0.532 20 0 EBADRP CCOC(=O)C1(C(=O)N(CC[NH+](C)C)[C@H]2CCC[NH2+]C2)C[NH2+]C1 ZINC001161444186 831958035 /nfs/dbraw/zinc/95/80/35/831958035.db2.gz DPJPFWDGTRXTKE-ZDUSSCGKSA-N 3 0 326.441 -0.719 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)C[C@@H]1C[NH2+]CC1(F)F)CC2 ZINC001161479426 831963636 /nfs/dbraw/zinc/96/36/36/831963636.db2.gz KUMZREKMEIFWJP-SUNKGSAMSA-N 2 0 331.363 -0.015 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)c1noc3c1C[NH2+]CC3)CC2 ZINC001161481528 831964253 /nfs/dbraw/zinc/96/42/53/831964253.db2.gz DRZKHXZCFGOREA-BLLLJJGKSA-N 2 0 334.376 -0.313 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)c1noc3c1C[NH2+]CC3)CC2 ZINC001161481537 831964289 /nfs/dbraw/zinc/96/42/89/831964289.db2.gz DRZKHXZCFGOREA-WBMJQRKESA-N 2 0 334.376 -0.313 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001161481436 831964373 /nfs/dbraw/zinc/96/43/73/831964373.db2.gz SQFYXJWBPUSZFW-WOSRLPQWSA-N 3 0 326.441 -0.414 20 0 EBADRP C[C@]1(C[NH3+])CCCN(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1 ZINC001161489871 831965984 /nfs/dbraw/zinc/96/59/84/831965984.db2.gz QEPGWGRHTCSTHV-UKRRQHHQSA-N 2 0 343.493 -0.012 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)c2ccc3c(c2)[C@H]2C[NH2+]C[C@@H]2NC3=O)CC12COC2 ZINC001161506888 831967526 /nfs/dbraw/zinc/96/75/26/831967526.db2.gz PSGVZIVOEDMPBE-QLFBSQMISA-N 2 0 342.399 -0.715 20 0 EBADRP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161510438 831967809 /nfs/dbraw/zinc/96/78/09/831967809.db2.gz PBETYVBGOXWSKS-UONOGXRCSA-N 2 0 333.388 -0.367 20 0 EBADRP COc1cc2c(cn1)CCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001161527569 831969169 /nfs/dbraw/zinc/96/91/69/831969169.db2.gz RBUJVKGHULWIPA-OAHLLOKOSA-N 2 0 333.436 -0.275 20 0 EBADRP C[NH+]1CC2(CN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])CCCC[NH3+])C2)C1 ZINC001161532140 831970376 /nfs/dbraw/zinc/97/03/76/831970376.db2.gz NXRSCVVKENAJTK-KBPBESRZSA-N 2 0 337.468 -0.792 20 0 EBADRP COC(=O)CC[C@@H]1COCCN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001161567253 831973398 /nfs/dbraw/zinc/97/33/98/831973398.db2.gz VEUKOQZROOJEHV-XJKCOSOUSA-N 2 0 325.409 -0.634 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC2=CC[NH+]([C@H]3CCC(=O)NC3=O)CC2)C1 ZINC001161863883 831998284 /nfs/dbraw/zinc/99/82/84/831998284.db2.gz WKDLFEDNCAOZTD-GJZGRUSLSA-N 2 0 348.447 -0.118 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC2=CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC001161863884 831998327 /nfs/dbraw/zinc/99/83/27/831998327.db2.gz WKDLFEDNCAOZTD-HUUCEWRRSA-N 2 0 348.447 -0.118 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)c1nnnn1C ZINC001162872460 832068108 /nfs/dbraw/zinc/06/81/08/832068108.db2.gz SPISAXZRSXRLBY-AJAZOQAWSA-N 2 0 349.439 -0.770 20 0 EBADRP Cn1nncc1C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872438 832068236 /nfs/dbraw/zinc/06/82/36/832068236.db2.gz RRPSXCYIWOFYQB-UGWHAMFMSA-N 2 0 334.424 -0.726 20 0 EBADRP Cn1cc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)nn1 ZINC001162872058 832068264 /nfs/dbraw/zinc/06/82/64/832068264.db2.gz FOMGLFRSCCMPDO-CXOJTPOUSA-N 2 0 334.424 -0.726 20 0 EBADRP O=C(NCCC[NH2+]Cc1ncccn1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872073 832068593 /nfs/dbraw/zinc/06/85/93/832068593.db2.gz GAKGCVNRWGQCGC-XOYHFGRZSA-N 2 0 331.420 -0.064 20 0 EBADRP Cn1ncnc1C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872374 832068744 /nfs/dbraw/zinc/06/87/44/832068744.db2.gz PXKNFXLMSKKYHO-UYJPIKCFSA-N 2 0 334.424 -0.726 20 0 EBADRP CN1CC[C@@H]([NH2+]CCCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1=O ZINC001162872627 832070006 /nfs/dbraw/zinc/07/00/06/832070006.db2.gz YNLGMKUJPZMNJD-YXXKGXSTSA-N 2 0 336.436 -0.824 20 0 EBADRP Cn1[nH]c(C[NH2+]CCCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)nc1=O ZINC001163224356 832091940 /nfs/dbraw/zinc/09/19/40/832091940.db2.gz UIVVOLFXYXWRPA-AWEZNQCLSA-N 2 0 336.440 -0.421 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C(=O)NC(N)=O ZINC001163242929 832093623 /nfs/dbraw/zinc/09/36/23/832093623.db2.gz PFYGZXXZPUYWGR-WCQYABFASA-N 2 0 339.440 -0.460 20 0 EBADRP Cn1[nH]c(C[NH2+]CCCNC(=O)CC2([NH+](C)C)CCCC2)nc1=O ZINC001163297527 832099549 /nfs/dbraw/zinc/09/95/49/832099549.db2.gz OTWWIRKPPUOVGU-UHFFFAOYSA-N 2 0 338.456 -0.031 20 0 EBADRP CC(C)(C(=O)NCCC[NH2+]CCNS(C)(=O)=O)[NH+]1CCCC1 ZINC001163850935 832145889 /nfs/dbraw/zinc/14/58/89/832145889.db2.gz CGHMZARRTXPNBX-UHFFFAOYSA-N 2 0 334.486 -0.494 20 0 EBADRP COC[C@@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165261668 832209475 /nfs/dbraw/zinc/20/94/75/832209475.db2.gz BWAKSSMNUHSCCN-CABCVRRESA-N 2 0 345.484 -0.164 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165272714 832209793 /nfs/dbraw/zinc/20/97/93/832209793.db2.gz YHNYMXGIEKSLLG-NSHDSACASA-N 2 0 327.429 -0.732 20 0 EBADRP C[NH+](C)CCCC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001165359684 832217709 /nfs/dbraw/zinc/21/77/09/832217709.db2.gz GMGGVMJZLZNUNB-CQSZACIVSA-N 2 0 328.457 -0.423 20 0 EBADRP C[NH+](C)CCCC(=O)NCCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001165377932 832218616 /nfs/dbraw/zinc/21/86/16/832218616.db2.gz BWSRQUIRTHPAKW-HOTGVXAUSA-N 2 0 345.484 -0.019 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165788810 832238028 /nfs/dbraw/zinc/23/80/28/832238028.db2.gz VERWPUDNNQQHSN-CQSZACIVSA-N 2 0 342.484 -0.035 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001165810161 832239103 /nfs/dbraw/zinc/23/91/03/832239103.db2.gz XQNQCZRJQDYRAC-UHFFFAOYSA-N 2 0 341.456 -0.212 20 0 EBADRP CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001166003992 832246228 /nfs/dbraw/zinc/24/62/28/832246228.db2.gz AFADKCNJJJUSIC-CQSZACIVSA-N 2 0 341.456 -0.343 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001351552878 832250225 /nfs/dbraw/zinc/25/02/25/832250225.db2.gz QZRYIFJCROEOPT-IACUBPJLSA-N 2 0 326.441 -0.714 20 0 EBADRP COC(C)(C)[C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001351593267 832256263 /nfs/dbraw/zinc/25/62/63/832256263.db2.gz POUXBADHSSHFHA-ZDUSSCGKSA-N 2 0 330.473 -0.132 20 0 EBADRP CC[C@@H](C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O)[NH+](CC)CC ZINC001166448830 832261748 /nfs/dbraw/zinc/26/17/48/832261748.db2.gz YJBCLUJOJJUMLO-ZDUSSCGKSA-N 2 0 341.456 -0.246 20 0 EBADRP CC[C@H](C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O)[NH+](CC)CC ZINC001166448829 832262008 /nfs/dbraw/zinc/26/20/08/832262008.db2.gz YJBCLUJOJJUMLO-CYBMUJFWSA-N 2 0 341.456 -0.246 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166626185 832274785 /nfs/dbraw/zinc/27/47/85/832274785.db2.gz CCEQUIHCRILMPU-CABCVRRESA-N 2 0 331.457 -0.410 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001166633848 832275957 /nfs/dbraw/zinc/27/59/57/832275957.db2.gz KWDKHVLBLXYHEC-STQMWFEESA-N 2 0 341.456 -0.199 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166668179 832277712 /nfs/dbraw/zinc/27/77/12/832277712.db2.gz UKBSXYLZCIUURF-ZDUSSCGKSA-N 2 0 341.456 -0.340 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001166678534 832280552 /nfs/dbraw/zinc/28/05/52/832280552.db2.gz WFTZZQNNVAQRLD-CYBMUJFWSA-N 2 0 339.440 -0.634 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001166736797 832285353 /nfs/dbraw/zinc/28/53/53/832285353.db2.gz UADXWJCUQRDTSU-GFCCVEGCSA-N 2 0 341.456 -0.342 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC2(C[NH2+][C@@H](C)C(N)=O)CC2)C1 ZINC001166814953 832290613 /nfs/dbraw/zinc/29/06/13/832290613.db2.gz VXNXVVKDPMNUSR-KBPBESRZSA-N 2 0 340.468 -0.155 20 0 EBADRP CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1)[NH+](C)C ZINC001166852887 832294203 /nfs/dbraw/zinc/29/42/03/832294203.db2.gz XSXIWGUTXASMPQ-KBPBESRZSA-N 2 0 328.457 -0.425 20 0 EBADRP CC[C@@H](C(=O)NCCC[NH2+]CCCNS(=O)(=O)CC)[NH+](C)C ZINC001166857983 832294578 /nfs/dbraw/zinc/29/45/78/832294578.db2.gz JARCEYFLDJRIMU-ZDUSSCGKSA-N 2 0 336.502 -0.248 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)CC[NH+](C)C)CC1 ZINC001166985833 832305333 /nfs/dbraw/zinc/30/53/33/832305333.db2.gz FXAWMKBHHOFMDR-GFCCVEGCSA-N 2 0 341.456 -0.342 20 0 EBADRP CC[C@@H](C(=O)NCCC1(C[NH2+]Cc2nc(=O)n(C)[nH]2)CC1)[NH+](C)C ZINC001167258348 832322411 /nfs/dbraw/zinc/32/24/11/832322411.db2.gz ZESKZCIOJJEPPB-LBPRGKRZSA-N 2 0 338.456 -0.175 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001167480845 832344315 /nfs/dbraw/zinc/34/43/15/832344315.db2.gz TVDAVOXPDVXBRK-LBPRGKRZSA-N 2 0 341.456 -0.212 20 0 EBADRP COC[C@H](O)C[NH2+]CC1(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001167732390 832368240 /nfs/dbraw/zinc/36/82/40/832368240.db2.gz ASCVAASANUNLAW-CQSZACIVSA-N 2 0 331.457 -0.552 20 0 EBADRP CC[C@@H]([NH2+]CC1(CCNC(=O)COCC[NH+](C)C)CC1)C(N)=O ZINC001167737379 832369338 /nfs/dbraw/zinc/36/93/38/832369338.db2.gz REIFBIJEUQYASP-CYBMUJFWSA-N 2 0 328.457 -0.295 20 0 EBADRP COC[C@H](O)C[NH2+]CC1(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001167746691 832370020 /nfs/dbraw/zinc/37/00/20/832370020.db2.gz UVXBMBWNAOVZIH-CQSZACIVSA-N 2 0 325.453 -0.034 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168030963 832388591 /nfs/dbraw/zinc/38/85/91/832388591.db2.gz VWZIKTJDNXTHQE-NWDGAFQWSA-N 2 0 325.413 -0.706 20 0 EBADRP CCOC(=O)CNC(=O)CNC(=O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168304372 832411838 /nfs/dbraw/zinc/41/18/38/832411838.db2.gz YWYGOFGCFNGPNW-UHFFFAOYSA-N 2 0 342.440 -0.756 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCCC(C)(C)[NH3+])C1 ZINC001353251598 832418063 /nfs/dbraw/zinc/41/80/63/832418063.db2.gz HBRZNHBOKMQRPB-ZDUSSCGKSA-N 2 0 328.457 -0.297 20 0 EBADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001353273216 832419374 /nfs/dbraw/zinc/41/93/74/832419374.db2.gz QRWFKLJXJDQLLN-OKILXGFUSA-N 2 0 340.468 -0.155 20 0 EBADRP O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)N1CCNCC[NH2+]CC1 ZINC001353467658 832429180 /nfs/dbraw/zinc/42/91/80/832429180.db2.gz PELWFNLJEDHQAU-ZIAGYGMSSA-N 2 0 327.498 -0.229 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001168763070 832434351 /nfs/dbraw/zinc/43/43/51/832434351.db2.gz JHXVMCYNAYJZIM-UHFFFAOYSA-N 2 0 341.456 -0.246 20 0 EBADRP CN1CC[NH2+]C[C@@H]1C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC001353585228 832434753 /nfs/dbraw/zinc/43/47/53/832434753.db2.gz ZOLHNLVWBWBHMT-QZTJIDSGSA-N 2 0 345.491 -0.005 20 0 EBADRP [NH3+][C@@H](CO)Cc1cncn1-c1cncc(OCC[NH+]2CCCC2)n1 ZINC001169072721 832446521 /nfs/dbraw/zinc/44/65/21/832446521.db2.gz VBOPPBDTZBOPBG-CYBMUJFWSA-N 2 0 332.408 -0.001 20 0 EBADRP Cc1cc(OC2CC[NH2+]CC2)nc(-n2cncc2C[C@@H]([NH3+])CO)n1 ZINC001169072781 832446792 /nfs/dbraw/zinc/44/67/92/832446792.db2.gz YCLNBIFLNUSZSF-GFCCVEGCSA-N 2 0 332.408 -0.036 20 0 EBADRP CO[C@H]1C[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC001353814502 832448219 /nfs/dbraw/zinc/44/82/19/832448219.db2.gz HOWIJDLHCFOULK-HDJSIYSDSA-N 2 0 328.457 -0.521 20 0 EBADRP CC1CC[NH+](CC(=O)NCCC[NH2+]CCN2CCNC2=O)CC1 ZINC001169127115 832449632 /nfs/dbraw/zinc/44/96/32/832449632.db2.gz IYJDJHHWWPCMBC-UHFFFAOYSA-N 2 0 325.457 -0.161 20 0 EBADRP C[C@@H]1O[C@@H](OCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H](O)[C@H](O)[C@@H]1O ZINC001169125292 832449957 /nfs/dbraw/zinc/44/99/57/832449957.db2.gz YISDSGNBMWKMKK-BRLSJQBJSA-N 2 0 330.425 -0.955 20 0 EBADRP CN1CCC[C@@H]([NH2+]CCCNC(=O)COC2CC[NH+](C)CC2)C1=O ZINC001169530964 832466563 /nfs/dbraw/zinc/46/65/63/832466563.db2.gz LAKCSOWXROWVRS-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](CCCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169811131 832476947 /nfs/dbraw/zinc/47/69/47/832476947.db2.gz UHBPLQGDOCSRSB-CHWSQXEVSA-N 2 0 338.456 -0.033 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CC(=O)Nc1nncs1 ZINC001170211895 832492085 /nfs/dbraw/zinc/49/20/85/832492085.db2.gz QNGFZLUSYZYCHH-UHFFFAOYSA-N 2 0 328.442 -0.086 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[N@H+](C)CC ZINC001170211969 832492204 /nfs/dbraw/zinc/49/22/04/832492204.db2.gz UHEQESLTXOQZIH-GFCCVEGCSA-N 2 0 329.445 -0.342 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]C[C@@H](O)CO[C@@H](C)COC ZINC001170222437 832493051 /nfs/dbraw/zinc/49/30/51/832493051.db2.gz JHHWEBWOUUXNDK-LSDHHAIUSA-N 2 0 333.473 -0.164 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+][C@H](C)C(=O)NCCCOC ZINC001170235102 832494167 /nfs/dbraw/zinc/49/41/67/832494167.db2.gz YCZOAEHYPHPCPS-CQSZACIVSA-N 2 0 330.473 -0.035 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)n1 ZINC001354937517 832537806 /nfs/dbraw/zinc/53/78/06/832537806.db2.gz KVLHNERVSBLIDF-HZSPNIEDSA-N 2 0 348.451 -0.160 20 0 EBADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001171161610 832549792 /nfs/dbraw/zinc/54/97/92/832549792.db2.gz PCOSJIPTIBWFSX-RYUDHWBXSA-N 2 0 327.429 -0.602 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001171205345 832550576 /nfs/dbraw/zinc/55/05/76/832550576.db2.gz SICQNWGJODIBGE-AWEZNQCLSA-N 2 0 328.457 -0.423 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001171217966 832552136 /nfs/dbraw/zinc/55/21/36/832552136.db2.gz PYQHIOCHOCWXSA-LSDHHAIUSA-N 2 0 340.468 -0.281 20 0 EBADRP COC[C@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171294687 832555457 /nfs/dbraw/zinc/55/54/57/832555457.db2.gz VWBJVUCQJRRQGS-GJZGRUSLSA-N 2 0 343.468 -0.410 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171303628 832555479 /nfs/dbraw/zinc/55/54/79/832555479.db2.gz ULNLPEBCIUYPCQ-UHFFFAOYSA-N 2 0 339.440 -0.586 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)C12CC[NH+](CC1)C2)C(=O)Nc1ncccn1 ZINC001171311202 832555720 /nfs/dbraw/zinc/55/57/20/832555720.db2.gz OYLPOJJEGYGXFD-ZDUSSCGKSA-N 2 0 346.435 -0.005 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]CC(=O)NCCCOC ZINC001171725771 832574319 /nfs/dbraw/zinc/57/43/19/832574319.db2.gz PTESVZITGSDEGZ-UHFFFAOYSA-N 2 0 330.473 -0.033 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001171770656 832575762 /nfs/dbraw/zinc/57/57/62/832575762.db2.gz WOFIHAXTAGLITK-CQSZACIVSA-N 2 0 328.457 -0.423 20 0 EBADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCN2CCC[N@H+](C)CC2)C[C@@H]1C(=O)OC ZINC001173567510 832584989 /nfs/dbraw/zinc/58/49/89/832584989.db2.gz GGBCITZECQGEES-QDMKHBRRSA-N 2 0 341.452 -0.046 20 0 EBADRP C[C@@H](CCCC[NH2+]CCNS(C)(=O)=O)NC(=O)CC[NH+](C)C ZINC001175049248 832613913 /nfs/dbraw/zinc/61/39/13/832613913.db2.gz RBXUYJHHVIQBRF-ZDUSSCGKSA-N 2 0 336.502 -0.248 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001356367819 832621295 /nfs/dbraw/zinc/62/12/95/832621295.db2.gz AOKORFQQERRJOO-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)Nc1ncccn1 ZINC001176049161 832653995 /nfs/dbraw/zinc/65/39/95/832653995.db2.gz JJYQBEHBFIKIJK-QWHCGFSZSA-N 2 0 334.424 -0.149 20 0 EBADRP Cn1ccc(N2CC[C@@H]([NH2+]CCCNC(=O)[C@@H]3CC[N@H+](C)C3)C2=O)n1 ZINC001176057531 832654449 /nfs/dbraw/zinc/65/44/49/832654449.db2.gz PRHZPITZGSBINY-ZIAGYGMSSA-N 2 0 348.451 -0.427 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001176056764 832654462 /nfs/dbraw/zinc/65/44/62/832654462.db2.gz JQTAKFPEKYLMGD-UONOGXRCSA-N 2 0 326.441 -0.719 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176095570 832657064 /nfs/dbraw/zinc/65/70/64/832657064.db2.gz FMZCMQFZNFEGPJ-CHWSQXEVSA-N 2 0 341.456 -0.343 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176095573 832657199 /nfs/dbraw/zinc/65/71/99/832657199.db2.gz FMZCMQFZNFEGPJ-QWHCGFSZSA-N 2 0 341.456 -0.343 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)C1 ZINC001176096358 832657411 /nfs/dbraw/zinc/65/74/11/832657411.db2.gz RMIKNABJNYKIGU-GFCCVEGCSA-N 2 0 339.440 -0.636 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NC(=O)NC1CC1 ZINC001176096683 832657427 /nfs/dbraw/zinc/65/74/27/832657427.db2.gz WQLNSJINOXQMJC-VXGBXAGGSA-N 2 0 339.440 -0.589 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176096528 832657541 /nfs/dbraw/zinc/65/75/41/832657541.db2.gz UQELEXLWNHKPIY-CYBMUJFWSA-N 2 0 341.456 -0.340 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)C[NH+]2CCCC2)CCO1 ZINC001176110549 832658048 /nfs/dbraw/zinc/65/80/48/832658048.db2.gz WTNRWWKDJLIJPM-AWEZNQCLSA-N 2 0 326.441 -0.575 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001176161028 832660122 /nfs/dbraw/zinc/66/01/22/832660122.db2.gz LXHNYFDVMINFRT-CQSZACIVSA-N 2 0 341.456 -0.924 20 0 EBADRP CCn1nncc1C[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176168364 832660878 /nfs/dbraw/zinc/66/08/78/832660878.db2.gz CFMZOCAQAVBBBR-AWEZNQCLSA-N 2 0 338.456 -0.138 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CCCC[C@H](C)NC(=O)COCC[NH+](C)C ZINC001176167429 832660979 /nfs/dbraw/zinc/66/09/79/832660979.db2.gz ZKWIAJWJXIEWEK-KBPBESRZSA-N 2 0 330.473 -0.036 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CC(=O)NC(C)(C)C ZINC001176168930 832661137 /nfs/dbraw/zinc/66/11/37/832661137.db2.gz HCBTYNAEJZOQKB-CQSZACIVSA-N 2 0 342.484 -0.035 20 0 EBADRP CCn1nncc1C[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176168366 832661216 /nfs/dbraw/zinc/66/12/16/832661216.db2.gz CFMZOCAQAVBBBR-CQSZACIVSA-N 2 0 338.456 -0.138 20 0 EBADRP CNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176598774 832681892 /nfs/dbraw/zinc/68/18/92/832681892.db2.gz CTDJHCFMTRDOAP-LSDHHAIUSA-N 2 0 342.484 -0.035 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001176857418 832696569 /nfs/dbraw/zinc/69/65/69/832696569.db2.gz WDINIJYQJUHBDF-KBPBESRZSA-N 2 0 348.513 -0.106 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCCNC(=O)CCC[NH+]1CCCC1 ZINC001176884286 832700622 /nfs/dbraw/zinc/70/06/22/832700622.db2.gz ABEMXQNWCAHFEX-MRXNPFEDSA-N 2 0 345.484 -0.018 20 0 EBADRP CN(CC[NH2+]CCCNC(=O)CC[NH+]1CCCCC1)S(C)(=O)=O ZINC001176930323 832712012 /nfs/dbraw/zinc/71/20/12/832712012.db2.gz GNLZVLMFKVDSPX-UHFFFAOYSA-N 2 0 348.513 -0.150 20 0 EBADRP O=C(CC[NH+]1CCCCC1)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001176934069 832712749 /nfs/dbraw/zinc/71/27/49/832712749.db2.gz LANRLTVKEQTOLN-UHFFFAOYSA-N 2 0 339.440 -0.490 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]C[C@@H](O)COCCOC ZINC001176992284 832727796 /nfs/dbraw/zinc/72/77/96/832727796.db2.gz LEEKDEVWOASNJD-HZPDHXFCSA-N 2 0 345.484 -0.019 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCCNC(=O)CCCC[NH+]1CCCC1 ZINC001177336621 832775032 /nfs/dbraw/zinc/77/50/32/832775032.db2.gz PDSVSSDNODXCAM-UHFFFAOYSA-N 2 0 348.513 -0.102 20 0 EBADRP Cn1[nH]c(C[NH2+]CCCNC(=O)CCCC[NH+]2CCCC2)nc1=O ZINC001177333871 832775090 /nfs/dbraw/zinc/77/50/90/832775090.db2.gz ZIZQIRWSNPRGFN-UHFFFAOYSA-N 2 0 338.456 -0.030 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001178045070 832817242 /nfs/dbraw/zinc/81/72/42/832817242.db2.gz BPPFNWSFFHKTNY-LBPRGKRZSA-N 2 0 327.429 -0.458 20 0 EBADRP C[N@H+](CC(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)C1CCC1 ZINC001178701995 832902400 /nfs/dbraw/zinc/90/24/00/832902400.db2.gz IGQYTPFMMBNEGM-UHFFFAOYSA-N 2 0 341.456 -0.068 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001179435813 832978650 /nfs/dbraw/zinc/97/86/50/832978650.db2.gz YMKGGUNXGHTCTG-STQMWFEESA-N 2 0 346.497 -0.544 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)[C@H]1C ZINC001179534719 832985676 /nfs/dbraw/zinc/98/56/76/832985676.db2.gz SNLXNYAFMIKUPE-AVGNSLFASA-N 2 0 339.440 -0.495 20 0 EBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)[C@H]1C ZINC001179561087 832988631 /nfs/dbraw/zinc/98/86/31/832988631.db2.gz AFGONRQTACQELI-ILXRZTDVSA-N 2 0 340.468 -0.188 20 0 EBADRP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212409338 837677602 /nfs/dbraw/zinc/67/76/02/837677602.db2.gz DRWFZJXXDULUIO-KFWWJZLASA-N 2 0 329.441 -0.849 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](OC)C1 ZINC001213164209 837714028 /nfs/dbraw/zinc/71/40/28/837714028.db2.gz OTTYMJOCWACBKP-BZUAXINKSA-N 2 0 348.403 -0.229 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001187083818 833897698 /nfs/dbraw/zinc/89/76/98/833897698.db2.gz SLUGSCNWNBIMOA-CHWSQXEVSA-N 2 0 332.470 -0.932 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001187106903 833901252 /nfs/dbraw/zinc/90/12/52/833901252.db2.gz QCRYHPJWFMKXHE-CABCVRRESA-N 2 0 339.440 -0.987 20 0 EBADRP CC(C)COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187106911 833901906 /nfs/dbraw/zinc/90/19/06/833901906.db2.gz QNQDJCHGXBRCFP-HZPDHXFCSA-N 2 0 345.484 -0.211 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCCC2)C1 ZINC001187115207 833903175 /nfs/dbraw/zinc/90/31/75/833903175.db2.gz GCSMTEXGEQIGQI-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NCC)C1 ZINC001187291068 833915822 /nfs/dbraw/zinc/91/58/22/833915822.db2.gz GDUPUALDSWLOSD-GFCCVEGCSA-N 2 0 327.429 -0.636 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001187328147 833920668 /nfs/dbraw/zinc/92/06/68/833920668.db2.gz BRUAUECDMZCTGH-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)Nc3nncs3)C2)C1 ZINC001187826384 833971095 /nfs/dbraw/zinc/97/10/95/833971095.db2.gz ZIDPFMWVONMBNQ-GHMZBOCLSA-N 2 0 338.437 -0.381 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001188158466 834018051 /nfs/dbraw/zinc/01/80/51/834018051.db2.gz PFHMFRPRLWCHGJ-CYBMUJFWSA-N 2 0 339.440 -0.541 20 0 EBADRP CNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801427 834193588 /nfs/dbraw/zinc/19/35/88/834193588.db2.gz FZNNCLAIHIXNTA-QWHCGFSZSA-N 2 0 349.435 -0.930 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2CN(CC(=O)NC3CC3)C[C@H]21 ZINC001189801413 834193618 /nfs/dbraw/zinc/19/36/18/834193618.db2.gz FLTQRPNYHXGUMS-DZGCQCFKSA-N 2 0 338.452 -0.624 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189906804 834208430 /nfs/dbraw/zinc/20/84/30/834208430.db2.gz PCLIWSVACACVLM-MELADBBJSA-N 2 0 336.436 -0.334 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001213442926 837775757 /nfs/dbraw/zinc/77/57/57/837775757.db2.gz ZOFJBLLYMYXVOC-RBSFLKMASA-N 2 0 343.468 -0.459 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([N@H+](C)[C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001192018437 834591869 /nfs/dbraw/zinc/59/18/69/834591869.db2.gz UNQHEVKVLCLYDO-OLZOCXBDSA-N 2 0 336.436 -0.334 20 0 EBADRP COCCOC[C@H](O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001192253104 834631776 /nfs/dbraw/zinc/63/17/76/834631776.db2.gz PMUBEUOBPXQECI-BBWFWOEESA-N 2 0 329.485 -0.032 20 0 EBADRP CCOCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001193024430 834782668 /nfs/dbraw/zinc/78/26/68/834782668.db2.gz WQYGFBLSSQOLPG-ARFHVFGLSA-N 2 0 325.453 -0.084 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@H]1OC ZINC001213596970 837812916 /nfs/dbraw/zinc/81/29/16/837812916.db2.gz SGZWIPRRXPUQRR-HUUCEWRRSA-N 2 0 331.457 -0.193 20 0 EBADRP CN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)C1=O ZINC001193487993 834886648 /nfs/dbraw/zinc/88/66/48/834886648.db2.gz JYSGCZGLWFHQGP-KGLIPLIRSA-N 2 0 326.441 -0.672 20 0 EBADRP 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CO[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1NC(=O)COC1CC[NH+](C)CC1 ZINC001213638423 837826962 /nfs/dbraw/zinc/82/69/62/837826962.db2.gz NVSGJBGUOQTIMP-BPLDGKMQSA-N 2 0 329.441 -0.707 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([N@H+](C)CCOCCO)C1 ZINC001194026666 835001991 /nfs/dbraw/zinc/00/19/91/835001991.db2.gz ICWHGYCGDAQUDU-HZPDHXFCSA-N 2 0 343.468 -0.504 20 0 EBADRP C[N@H+](C[C@H](O)Cn1cccn1)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194027042 835002235 /nfs/dbraw/zinc/00/22/35/835002235.db2.gz OVQCNYNDJVTENO-CVEARBPZSA-N 2 0 335.452 -0.128 20 0 EBADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCN2C(=O)CNC2=O)CC1 ZINC001195232991 835200277 /nfs/dbraw/zinc/20/02/77/835200277.db2.gz GHQBJRRWHABQEM-UHFFFAOYSA-N 2 0 325.457 -0.066 20 0 EBADRP CC(=O)NCCOCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001195268270 835207311 /nfs/dbraw/zinc/20/73/11/835207311.db2.gz RJGFCFYYUTYYLT-MRXNPFEDSA-N 2 0 340.468 -0.232 20 0 EBADRP CC(C)N(C)C(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708963 835276043 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CCC[N@H+](C)CCC(=O)N1CCC([NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001203443506 836432131 /nfs/dbraw/zinc/43/21/31/836432131.db2.gz VGMOLIJJLYHPFZ-LBPRGKRZSA-N 2 0 341.456 -0.118 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C12CCC2 ZINC001203579371 836450015 /nfs/dbraw/zinc/45/00/15/836450015.db2.gz ZJUIMTDDMXZASB-RYUDHWBXSA-N 2 0 339.440 -0.460 20 0 EBADRP CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001203708866 836463738 /nfs/dbraw/zinc/46/37/38/836463738.db2.gz FXXQHKQNXZQDBF-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCNS(C)(=O)=O)CC1 ZINC001204798931 836530097 /nfs/dbraw/zinc/53/00/97/836530097.db2.gz OWFMGBIBGBXQLZ-AWEZNQCLSA-N 2 0 346.497 -0.542 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001205549129 836577571 /nfs/dbraw/zinc/57/75/71/836577571.db2.gz NSYHSQLKXANCMS-UHFFFAOYSA-N 2 0 341.456 -0.260 20 0 EBADRP COCCCNC(=O)C[NH2+]CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001206152577 836626798 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2 0 339.440 -0.365 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208357889 837005119 /nfs/dbraw/zinc/00/51/19/837005119.db2.gz DLTNZPJOESYZMS-CHWSQXEVSA-N 2 0 339.440 -0.364 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)nc1=O ZINC001209279407 837150298 /nfs/dbraw/zinc/15/02/98/837150298.db2.gz XNDHERMKSRKMDF-LBPRGKRZSA-N 2 0 336.440 -0.469 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001209314918 837155671 /nfs/dbraw/zinc/15/56/71/837155671.db2.gz MPDFPIMZFNEJEF-NWDGAFQWSA-N 2 0 327.429 -0.508 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001209324979 837156189 /nfs/dbraw/zinc/15/61/89/837156189.db2.gz VKXFNGMKKXHUBF-ZDUSSCGKSA-N 2 0 334.486 -0.542 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001209443742 837166587 /nfs/dbraw/zinc/16/65/87/837166587.db2.gz APZKLUPNNGRXEU-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001209446479 837167484 /nfs/dbraw/zinc/16/74/84/837167484.db2.gz RQHCJVZNBFSPDN-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209447055 837168255 /nfs/dbraw/zinc/16/82/55/837168255.db2.gz WKWAJYPPIPVVHY-RYUDHWBXSA-N 2 0 327.429 -0.637 20 0 EBADRP CN(CC[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1)S(C)(=O)=O ZINC001209456119 837168795 /nfs/dbraw/zinc/16/87/95/837168795.db2.gz XSSZQGFPFUGUKP-ZDUSSCGKSA-N 2 0 334.486 -0.590 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001209715783 837193636 /nfs/dbraw/zinc/19/36/36/837193636.db2.gz LFUBQGYETZDFGZ-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001210669614 837315394 /nfs/dbraw/zinc/31/53/94/837315394.db2.gz YZUUKTAJBNCPBZ-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP CN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)COCC[NH+](C)C)C2)C1=O ZINC001210684988 837320896 /nfs/dbraw/zinc/32/08/96/837320896.db2.gz KYUZYGQKFKCDJF-UONOGXRCSA-N 2 0 326.441 -0.624 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001210796760 837331123 /nfs/dbraw/zinc/33/11/23/837331123.db2.gz JOLCKUIQXWXSSB-CHWSQXEVSA-N 2 0 341.456 -0.118 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211064430 837379251 /nfs/dbraw/zinc/37/92/51/837379251.db2.gz NKBJCPOTVNVRSA-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP COCCOCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213719300 837851548 /nfs/dbraw/zinc/85/15/48/837851548.db2.gz WMMCSBBPEDIGRH-BZUAXINKSA-N 2 0 343.468 -0.193 20 0 EBADRP CC(C)(CO)[NH+]1CCN(CCN2CC[NH+](C(C)(C)CO)CC2)CC1 ZINC001319386887 838123446 /nfs/dbraw/zinc/12/34/46/838123446.db2.gz VGVLBNHQKRIYTD-UHFFFAOYSA-N 2 0 342.528 -0.237 20 0 EBADRP C[C@H](CC[NH2+]CCNS(C)(=O)=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001320530363 838785449 /nfs/dbraw/zinc/78/54/49/838785449.db2.gz TXSWOZFHVCYXCJ-RDBSUJKOSA-N 2 0 348.513 -0.250 20 0 EBADRP C[C@@H](CC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)NC(=O)CC[NH+](C)C ZINC001320545466 838787754 /nfs/dbraw/zinc/78/77/54/838787754.db2.gz YHRJYNOEQWKKQR-LBPRGKRZSA-N 2 0 339.440 -0.980 20 0 EBADRP C[C@H](CC[NH2+]Cc1cc(=O)n(C)c(=O)n1C)NC(=O)CC[NH+](C)C ZINC001320545464 838787937 /nfs/dbraw/zinc/78/79/37/838787937.db2.gz YHRJYNOEQWKKQR-GFCCVEGCSA-N 2 0 339.440 -0.980 20 0 EBADRP CS(=O)(=O)CC[NH2+]C/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001321063917 838897008 /nfs/dbraw/zinc/89/70/08/838897008.db2.gz JLYPXHNCRRTVGU-SFAKSCPVSA-N 2 0 329.466 -0.365 20 0 EBADRP CC[C@H](C(=O)NC/C=C/C[NH2+]CC(=O)N1CCOCC1)[NH+](C)C ZINC001321113223 838910698 /nfs/dbraw/zinc/91/06/98/838910698.db2.gz XBDGQYNKCHJDET-VBROQKIQSA-N 2 0 326.441 -0.553 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001321199180 838934501 /nfs/dbraw/zinc/93/45/01/838934501.db2.gz FZXRKLCSHVYMGC-AAAGKOELSA-N 2 0 339.440 -0.423 20 0 EBADRP CC[C@@H](C(=O)NC/C=C\C[NH2+]CC(=O)N1CCO[C@@H](C)C1)[NH+](C)C ZINC001321251670 838943408 /nfs/dbraw/zinc/94/34/08/838943408.db2.gz LPIDSXMODIOZJM-BEWKBBBFSA-N 2 0 340.468 -0.164 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001321522574 839009866 /nfs/dbraw/zinc/00/98/66/839009866.db2.gz NXTHZQBXGLGRAH-FRRDWIJNSA-N 2 0 339.440 -0.637 20 0 EBADRP C[C@H](C[NH2+]CCN1C(=O)CNC1=O)NC(=O)C[NH+]1CCC(C)CC1 ZINC001321695959 839056837 /nfs/dbraw/zinc/05/68/37/839056837.db2.gz FNCUGHJPONWGAD-CYBMUJFWSA-N 2 0 339.440 -0.636 20 0 EBADRP C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)NC(=O)C1([NH+](C)C)CCC1 ZINC001321871255 839091060 /nfs/dbraw/zinc/09/10/60/839091060.db2.gz YIDQDJOSHTYERC-NSHDSACASA-N 2 0 325.413 -0.883 20 0 EBADRP CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCN1C(=O)CCC1=O)[NH+](C)C ZINC001322281340 839166195 /nfs/dbraw/zinc/16/61/95/839166195.db2.gz NUCTZBFKDRDWTE-QWHCGFSZSA-N 2 0 326.441 -0.088 20 0 EBADRP C[C@H](NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)C1=CC[NH+](C)CC1 ZINC001322961655 839306473 /nfs/dbraw/zinc/30/64/73/839306473.db2.gz ITHXQMSECRAXBL-ZFWWWQNUSA-N 2 0 337.468 -0.885 20 0 EBADRP C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)C1=CC[NH+](C)CC1 ZINC001322961652 839307002 /nfs/dbraw/zinc/30/70/02/839307002.db2.gz ITHXQMSECRAXBL-DZGCQCFKSA-N 2 0 337.468 -0.885 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCN1C(=O)CCC1=O)C1CC1 ZINC001322972019 839311888 /nfs/dbraw/zinc/31/18/88/839311888.db2.gz ZZIMLPIONYDNQM-UONOGXRCSA-N 2 0 336.436 -0.286 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCNS(C)(=O)=O)C1CC1 ZINC001323046406 839333641 /nfs/dbraw/zinc/33/36/41/839333641.db2.gz DUEODOFRPWOXSM-CHWSQXEVSA-N 2 0 332.470 -0.886 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001324129132 839595381 /nfs/dbraw/zinc/59/53/81/839595381.db2.gz KMXBYUYVHWUNPC-OLZOCXBDSA-N 2 0 337.424 -0.787 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH2+]CCS(C)(=O)=O)CC1 ZINC001324222379 839611296 /nfs/dbraw/zinc/61/12/96/839611296.db2.gz PRRPKCVIPQGARI-CQSZACIVSA-N 2 0 331.482 -0.047 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccccc1C[NH3+] ZINC001325428615 839865286 /nfs/dbraw/zinc/86/52/86/839865286.db2.gz ROYFQGJIXJFGHX-UHFFFAOYSA-N 3 0 349.479 -0.287 20 0 EBADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC001325745803 839926112 /nfs/dbraw/zinc/92/61/12/839926112.db2.gz LSNQUXLMLHXPFB-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCOCCO)C[C@@H]2C1 ZINC001325753930 839929581 /nfs/dbraw/zinc/92/95/81/839929581.db2.gz OKLZMCGNYXVLEL-XHSDSOJGSA-N 2 0 325.453 -0.130 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]CC(=O)N1CCC1 ZINC001326022945 840006396 /nfs/dbraw/zinc/00/63/96/840006396.db2.gz OFJLLVUCOPTPCP-OAHLLOKOSA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@H](O)C[NH2+]CCN(CCO)C(=O)[C@H]1COCCN1C1CCCC1 ZINC001326080140 840026532 /nfs/dbraw/zinc/02/65/32/840026532.db2.gz OPVQAGOGLXPDNN-GOEBONIOSA-N 2 0 343.468 -0.579 20 0 EBADRP Cn1nnnc1C[NH2+]CC[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001326349089 840089389 /nfs/dbraw/zinc/08/93/89/840089389.db2.gz JEFIYGYTZBLCDU-ZDUSSCGKSA-N 2 0 335.456 -0.120 20 0 EBADRP Cn1cc(CC[NH2+]C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CCO2)cn1 ZINC001326957786 840249704 /nfs/dbraw/zinc/24/97/04/840249704.db2.gz LCULJCSDXGFILE-HOTGVXAUSA-N 2 0 335.452 -0.126 20 0 EBADRP CN(CCC[N@H+](C)[C@H]1CCC(=O)NC1=O)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001327276497 840347741 /nfs/dbraw/zinc/34/77/41/840347741.db2.gz COMIVOHLWDBHLH-KBPBESRZSA-N 2 0 338.452 -0.086 20 0 EBADRP C[C@H](CC[NH3+])NC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001327516784 840442697 /nfs/dbraw/zinc/44/26/97/840442697.db2.gz WERWEHDKGOHWRO-CYBMUJFWSA-N 2 0 340.468 -0.153 20 0 EBADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001327532285 840446541 /nfs/dbraw/zinc/44/65/41/840446541.db2.gz LIUPJOKOMNKTQO-GUTXKFCHSA-N 2 0 336.436 -0.966 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001327833650 840528392 /nfs/dbraw/zinc/52/83/92/840528392.db2.gz CDAGOHBLZDRXTK-AWEZNQCLSA-N 2 0 347.463 -0.221 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CC1(O)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001328208323 840621012 /nfs/dbraw/zinc/62/10/12/840621012.db2.gz YMXNXSQRQKQBRV-CQSZACIVSA-N 2 0 342.484 -0.204 20 0 EBADRP O=C(NCCCCC[NH+]1CCN(CCO)CC1)C12CC[NH+](CC1)C2 ZINC001328500590 840690602 /nfs/dbraw/zinc/69/06/02/840690602.db2.gz MDGWXGMSFKKXKB-UHFFFAOYSA-N 2 0 338.496 -0.021 20 0 EBADRP C[C@@H]([NH2+]CCN1C(=O)CNC1=O)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001329057207 840829273 /nfs/dbraw/zinc/82/92/73/840829273.db2.gz POFDDDKUHAJUQL-NEPJUHHUSA-N 2 0 339.440 -0.495 20 0 EBADRP CN(C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CC(O)C1 ZINC001329481202 840936931 /nfs/dbraw/zinc/93/69/31/840936931.db2.gz YRYKSLFUIDOWRI-LMRVLLHPSA-N 2 0 340.468 -0.834 20 0 EBADRP C[C@@H](CNC(=O)CCCC[NH+](C)C)[N@H+](C)[C@@H]1CCC(=O)NC1=O ZINC001329592757 840961200 /nfs/dbraw/zinc/96/12/00/840961200.db2.gz UAQRQUYUQSWHNK-QWHCGFSZSA-N 2 0 326.441 -0.040 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC001329824364 841031401 /nfs/dbraw/zinc/03/14/01/841031401.db2.gz WDTWCOJYMMYXDJ-CQSZACIVSA-N 2 0 341.456 -0.654 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC001329988553 841084105 /nfs/dbraw/zinc/08/41/05/841084105.db2.gz FYIMBSBATLOIPV-UHFFFAOYSA-N 2 0 332.364 -0.442 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC001329989843 841085506 /nfs/dbraw/zinc/08/55/06/841085506.db2.gz NMTRYOJIKVTUBB-CYBMUJFWSA-N 2 0 347.423 -0.965 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC001330602389 841243134 /nfs/dbraw/zinc/24/31/34/841243134.db2.gz NUUPKDMXGXPJMT-GFCCVEGCSA-N 2 0 325.413 -0.803 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CCO1 ZINC001330601588 841243618 /nfs/dbraw/zinc/24/36/18/841243618.db2.gz KSGQGZIEMUNHFG-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP CN1CC[C@H]([N@H+](C)CCOCCNC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001331162294 841360576 /nfs/dbraw/zinc/36/05/76/841360576.db2.gz VOBJKBJHOPAKJW-KBPBESRZSA-N 2 0 326.441 -0.767 20 0 EBADRP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCN1C(=O)CNC1=O ZINC001331489485 841415280 /nfs/dbraw/zinc/41/52/80/841415280.db2.gz LROULOHDBNGNQA-QWHCGFSZSA-N 2 0 339.440 -0.541 20 0 EBADRP C[C@H]1C[C@H](N(C)C(=O)C(=O)NCC2([NH3+])CCOCC2)CC[N@@H+]1C ZINC001331605160 841436589 /nfs/dbraw/zinc/43/65/89/841436589.db2.gz GKYXVSRCGYGJOE-QWHCGFSZSA-N 2 0 326.441 -0.448 20 0 EBADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC001331604803 841437116 /nfs/dbraw/zinc/43/71/16/841437116.db2.gz VIOKIEHUAFSQPD-RBSFLKMASA-N 2 0 339.484 -0.772 20 0 EBADRP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC001331618934 841440926 /nfs/dbraw/zinc/44/09/26/841440926.db2.gz YKBMAQXBRPKLPQ-UONOGXRCSA-N 2 0 326.441 -0.399 20 0 EBADRP CC(C)NC(=O)NCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001331738316 841477094 /nfs/dbraw/zinc/47/70/94/841477094.db2.gz GGMQBKHIAZIANB-KBPBESRZSA-N 2 0 343.472 -0.755 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C[C@@H]1C ZINC001332051793 841560096 /nfs/dbraw/zinc/56/00/96/841560096.db2.gz UEFSOCJMCASLGO-QWHCGFSZSA-N 2 0 339.440 -0.541 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C[C@H]1C ZINC001332051792 841560617 /nfs/dbraw/zinc/56/06/17/841560617.db2.gz UEFSOCJMCASLGO-OLZOCXBDSA-N 2 0 339.440 -0.541 20 0 EBADRP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC001332271433 841602930 /nfs/dbraw/zinc/60/29/30/841602930.db2.gz VIOKIEHUAFSQPD-QLFBSQMISA-N 2 0 339.484 -0.772 20 0 EBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)C[NH+]1CCN(C)CC1 ZINC001332303245 841610326 /nfs/dbraw/zinc/61/03/26/841610326.db2.gz SNBUNQOQCOPNDL-ILXRZTDVSA-N 2 0 339.484 -0.628 20 0 EBADRP C[NH2+]CCOCCNC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC001333353403 841856147 /nfs/dbraw/zinc/85/61/47/841856147.db2.gz UHKDXYSXTQLMBN-VIFPVBQESA-N 2 0 332.355 -0.284 20 0 EBADRP CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C)N1CC[NH+](C)CC1 ZINC001333401226 841866759 /nfs/dbraw/zinc/86/67/59/841866759.db2.gz CIHVQPLSAOMZBE-KKUMJFAQSA-N 2 0 339.484 -0.677 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1C(F)(F)F ZINC001333407190 841869064 /nfs/dbraw/zinc/86/90/64/841869064.db2.gz ZUSMUHXOWBOMMW-SCVCMEIPSA-N 2 0 348.369 -0.065 20 0 EBADRP C[NH+](C)[C@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)Cc1ccccc1 ZINC001333883094 841960710 /nfs/dbraw/zinc/96/07/10/841960710.db2.gz GKKPDQPUCVTXBJ-JYJNAYRXSA-N 2 0 330.432 -0.152 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC001333908760 841964467 /nfs/dbraw/zinc/96/44/67/841964467.db2.gz ITIGKGBFPMRLIF-MJBXVCDLSA-N 2 0 326.441 -0.687 20 0 EBADRP C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)C[C@@H]2C1 ZINC001334756934 842126034 /nfs/dbraw/zinc/12/60/34/842126034.db2.gz FJRYFQFUIQAHDS-CWVYHPPDSA-N 2 0 334.464 -0.005 20 0 EBADRP CC1(C)CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC[NH2+]1 ZINC001334788026 842132082 /nfs/dbraw/zinc/13/20/82/842132082.db2.gz MVXZACPFRGQYER-KGLIPLIRSA-N 2 0 338.452 -0.746 20 0 EBADRP C[C@H](CNC(=O)CN1C[C@@H]2CC[N@H+](C)[C@@H]2C1)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC001334927604 842150481 /nfs/dbraw/zinc/15/04/81/842150481.db2.gz WMANFIJXFCCEMN-DISONHOPSA-N 2 0 349.523 -0.237 20 0 EBADRP [NH3+]C1CCN(CCNC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC001335183274 842217296 /nfs/dbraw/zinc/21/72/96/842217296.db2.gz FFZZRAHEJBOZPS-UHFFFAOYSA-N 2 0 337.468 -0.731 20 0 EBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCCCCCN2CC[NH2+]CC2)CCO1 ZINC001335626830 842319687 /nfs/dbraw/zinc/31/96/87/842319687.db2.gz CCTHAKKNLAFQRO-HUUCEWRRSA-N 2 0 327.473 -0.181 20 0 EBADRP [NH3+]C1(CNC(=O)C(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC001335828646 842360582 /nfs/dbraw/zinc/36/05/82/842360582.db2.gz MAOKNBKLIBZNCG-UHFFFAOYSA-N 2 0 338.452 -0.399 20 0 EBADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC001336555122 842492712 /nfs/dbraw/zinc/49/27/12/842492712.db2.gz XQTRYCQUYXOHKS-INIZCTEOSA-N 2 0 326.441 -0.711 20 0 EBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001336650850 842526857 /nfs/dbraw/zinc/52/68/57/842526857.db2.gz UTZFFSCMWKUNRN-QLFBSQMISA-N 2 0 337.468 -0.909 20 0 EBADRP CCN(C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC001337321844 842602538 /nfs/dbraw/zinc/60/25/38/842602538.db2.gz GTPIIVISQXBGJV-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[NH+](CC)C1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2COC)CC1 ZINC001337852958 842710024 /nfs/dbraw/zinc/71/00/24/842710024.db2.gz FFEKCLCUVPFXDA-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CCNCC[NH2+]CC2)CCCO1 ZINC001338594322 842839684 /nfs/dbraw/zinc/83/96/84/842839684.db2.gz CTWJEOUDEUKVGS-OAHLLOKOSA-N 2 0 327.473 -0.308 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001340206391 842981449 /nfs/dbraw/zinc/98/14/49/842981449.db2.gz RWNVUTPNDOSJLG-RHSMWYFYSA-N 2 0 340.468 -0.450 20 0 EBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC001340213728 842982589 /nfs/dbraw/zinc/98/25/89/842982589.db2.gz NAQGBJQENBWBHS-UHFFFAOYSA-N 2 0 340.468 -0.234 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)CCNC(=O)[C@H]([NH3+])C(C)C)CC1 ZINC001342143919 843142978 /nfs/dbraw/zinc/14/29/78/843142978.db2.gz WGGVIMWWLIYXHW-OAHLLOKOSA-N 2 0 328.457 -0.297 20 0 EBADRP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@@H]1CCCOC1 ZINC001343313510 843219611 /nfs/dbraw/zinc/21/96/11/843219611.db2.gz YTDGNTBBLGIRGM-LSDHHAIUSA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC001345268594 843383083 /nfs/dbraw/zinc/38/30/83/843383083.db2.gz GZESDCIEFOEPMD-ZDUSSCGKSA-N 2 0 333.436 -0.164 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001345913666 843462115 /nfs/dbraw/zinc/46/21/15/843462115.db2.gz TZNVFHRZPIEULX-RBSFLKMASA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+]1CCC(O)(C[NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC001346250504 843492138 /nfs/dbraw/zinc/49/21/38/843492138.db2.gz FCIZBWWRLWOJCN-ZDUSSCGKSA-N 2 0 347.415 -0.310 20 0 EBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC001347075548 843588922 /nfs/dbraw/zinc/58/89/22/843588922.db2.gz SRNBOUZUSBKCLF-RYUDHWBXSA-N 2 0 348.407 -1.000 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC001347384021 843615140 /nfs/dbraw/zinc/61/51/40/843615140.db2.gz MEMDQOSCEQFROH-HNNXBMFYSA-N 2 0 329.489 -0.110 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC001347384024 843615273 /nfs/dbraw/zinc/61/52/73/843615273.db2.gz MEMDQOSCEQFROH-OAHLLOKOSA-N 2 0 329.489 -0.110 20 0 EBADRP CN1CCO[C@@H](C(=O)NCCNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001348702721 843738769 /nfs/dbraw/zinc/73/87/69/843738769.db2.gz WOZZTLWTOZDBIM-CQSZACIVSA-N 2 0 331.376 -0.489 20 0 EBADRP CC(=O)N(C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1ccc2c(c1)C[NH2+]CC2 ZINC001348822937 843752171 /nfs/dbraw/zinc/75/21/71/843752171.db2.gz ZXFLNNRDTPFCCB-HOCLYGCPSA-N 2 0 342.399 -0.216 20 0 EBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001349890291 843947260 /nfs/dbraw/zinc/94/72/60/843947260.db2.gz QLHHSGSOESUESL-GBJTYRQASA-N 2 0 338.452 -0.747 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CCCS(=O)(=O)N(C)C)CC[N@@H+]1C ZINC001480866375 1125791823 /nfs/dbraw/zinc/79/18/23/1125791823.db2.gz ZZZVDVDMCBHKDU-ZIAGYGMSSA-N 2 0 348.513 -0.344 20 0 EBADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC001691165677 1125839658 /nfs/dbraw/zinc/83/96/58/1125839658.db2.gz DBEQKJNIYLXIAB-KBPBESRZSA-N 2 0 338.452 -0.038 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]C[C@H](O)CN2CCCC2=O)CC[N@@H+]1C ZINC001691324435 1125851244 /nfs/dbraw/zinc/85/12/44/1125851244.db2.gz GFCZOIUWRDBTAD-QLFBSQMISA-N 2 0 340.468 -0.642 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1nc(C[NH2+]CCO)cc(=O)[nH]1 ZINC001691424827 1125860247 /nfs/dbraw/zinc/86/02/47/1125860247.db2.gz YXXCXDRKTYKWKE-ZDUSSCGKSA-N 2 0 337.424 -0.245 20 0 EBADRP CN(CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CN(C)CCO1 ZINC001408618385 1125891965 /nfs/dbraw/zinc/89/19/65/1125891965.db2.gz YHZPDZOYLVQYRJ-KGLIPLIRSA-N 2 0 326.441 -0.624 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCCN2CCNS(C)(=O)=O)C1 ZINC001481066433 1125916373 /nfs/dbraw/zinc/91/63/73/1125916373.db2.gz UQQICVWXMCWQFF-ZIAGYGMSSA-N 2 0 346.497 -0.542 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCCN1CC(=O)N1CCOCC1 ZINC001481069959 1125917040 /nfs/dbraw/zinc/91/70/40/1125917040.db2.gz FIVZBYLKNVMSMN-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCCN(CCNS(C)(=O)=O)C2)C1 ZINC001481537106 1126009720 /nfs/dbraw/zinc/00/97/20/1126009720.db2.gz DKPBLYBFXSFYQG-KBPBESRZSA-N 2 0 346.497 -0.542 20 0 EBADRP COCCOC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001481692146 1126040416 /nfs/dbraw/zinc/04/04/16/1126040416.db2.gz MFORBHAGADFLQX-XHSDSOJGSA-N 2 0 343.468 -0.315 20 0 EBADRP CC[C@H](C(N)=O)N1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001481694649 1126040907 /nfs/dbraw/zinc/04/09/07/1126040907.db2.gz UQSBTGAVEFESGN-GXTWGEPZSA-N 2 0 326.441 -0.448 20 0 EBADRP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001481847839 1126061174 /nfs/dbraw/zinc/06/11/74/1126061174.db2.gz JBACZPUELXOTTM-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001481861124 1126062541 /nfs/dbraw/zinc/06/25/41/1126062541.db2.gz ITGCXZCASSZAJA-CHWSQXEVSA-N 2 0 341.456 -0.214 20 0 EBADRP CN1CCO[C@@H](C(=O)NC2(C[NH2+]CCS(C)(=O)=O)CCCC2)C1 ZINC001481891794 1126065081 /nfs/dbraw/zinc/06/50/81/1126065081.db2.gz VBDWOHLRIYFEQT-CYBMUJFWSA-N 2 0 347.481 -0.620 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)NC(N)=O)CC1 ZINC001482022943 1126071948 /nfs/dbraw/zinc/07/19/48/1126071948.db2.gz NYWQDWPXKQSYNE-HAQNSBGRSA-N 2 0 327.429 -0.460 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC(=O)NC(N)=O)cc1 ZINC001482029887 1126072683 /nfs/dbraw/zinc/07/26/83/1126072683.db2.gz KACLREGOCQJLIL-AWEZNQCLSA-N 2 0 347.419 -0.319 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001482062832 1126074740 /nfs/dbraw/zinc/07/47/40/1126074740.db2.gz BZOAVPBKPRHDMJ-QWHCGFSZSA-N 2 0 339.440 -0.636 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC001482060697 1126074886 /nfs/dbraw/zinc/07/48/86/1126074886.db2.gz NMPDLMSEMVGPIK-BZUAXINKSA-N 2 0 335.452 -0.081 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001493499617 1126105474 /nfs/dbraw/zinc/10/54/74/1126105474.db2.gz INYXRRNRNVBUJA-STQMWFEESA-N 2 0 341.456 -0.249 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001482355338 1126137207 /nfs/dbraw/zinc/13/72/07/1126137207.db2.gz FJCXFYBJXQRFMV-NEPJUHHUSA-N 2 0 329.445 -0.391 20 0 EBADRP CC[N@H+](CCNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12)C1CC1 ZINC001648970098 1126178798 /nfs/dbraw/zinc/17/87/98/1126178798.db2.gz GKEFTTFFTCJJFX-KWCYVHTRSA-N 2 0 329.466 -0.390 20 0 EBADRP CN(CC(F)F)C1CCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001648976051 1126207641 /nfs/dbraw/zinc/20/76/41/1126207641.db2.gz QWIXAOHSTVOXKY-LLVKDONJSA-N 2 0 344.406 -0.005 20 0 EBADRP [NH3+]CCn1cc(Br)cc(C(=O)NCC2C[NH2+]C2)c1=O ZINC001648976798 1126218134 /nfs/dbraw/zinc/21/81/34/1126218134.db2.gz UOZPAQAZXOJZJT-UHFFFAOYSA-N 2 0 329.198 -0.481 20 0 EBADRP CS(=O)(=O)CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cn1ccnc1 ZINC001482699935 1126253879 /nfs/dbraw/zinc/25/38/79/1126253879.db2.gz XBFAZMYJDNBNGQ-STQMWFEESA-N 2 0 328.438 -0.198 20 0 EBADRP CCn1nncc1C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482729787 1126269034 /nfs/dbraw/zinc/26/90/34/1126269034.db2.gz QMIGDUFINAUBQL-GJZGRUSLSA-N 2 0 336.440 -0.794 20 0 EBADRP COc1cncc(C[NH2+]C[C@@H](O)CNC(=O)C2([NH+](C)C)CCC2)n1 ZINC001482737564 1126272044 /nfs/dbraw/zinc/27/20/44/1126272044.db2.gz OXVLOUUMAUJBGB-CYBMUJFWSA-N 2 0 337.424 -0.464 20 0 EBADRP CC(C)(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC1CC1)[NH+]1CCCC1 ZINC001482755073 1126278016 /nfs/dbraw/zinc/27/80/16/1126278016.db2.gz BLLJPWGXBUKXJD-ZDUSSCGKSA-N 2 0 326.441 -0.794 20 0 EBADRP C[NH+](C)CC1(C(=O)NC[C@@H](O)C[NH2+]C[C@H]2CCNC(=O)CC2)CC1 ZINC001482763695 1126281223 /nfs/dbraw/zinc/28/12/23/1126281223.db2.gz ZPBAPFBFWWQSQY-KGLIPLIRSA-N 2 0 340.468 -0.689 20 0 EBADRP C[C@@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)COC1CC[NH+](C)CC1 ZINC001482883608 1126299716 /nfs/dbraw/zinc/29/97/16/1126299716.db2.gz RVKJQIHLEXWKDD-GXTWGEPZSA-N 2 0 326.441 -0.530 20 0 EBADRP C[C@@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)NC(N)=O ZINC001483046035 1126320866 /nfs/dbraw/zinc/32/08/66/1126320866.db2.gz AVDDRYPOKHUITC-JYYSYOFASA-N 2 0 325.413 -0.684 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NC/C=C/C[NH2+]CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001483050583 1126323357 /nfs/dbraw/zinc/32/33/57/1126323357.db2.gz JFZNSXRDVKZISG-QSKOYVBTSA-N 2 0 325.413 -0.826 20 0 EBADRP CN(CC[NH2+]CC(=O)NC1CCOCC1)C(=O)C[NH+]1CCCC1 ZINC001691602957 1126324795 /nfs/dbraw/zinc/32/47/95/1126324795.db2.gz MKRCBYJXNNQPKD-UHFFFAOYSA-N 2 0 326.441 -0.575 20 0 EBADRP CN(CC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001691602722 1126324797 /nfs/dbraw/zinc/32/47/97/1126324797.db2.gz CRJQURRILOTOTH-KGLIPLIRSA-N 2 0 346.497 -0.732 20 0 EBADRP O=C(CC[NH+]1CCCCC1)NC/C=C/C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001483098725 1126332801 /nfs/dbraw/zinc/33/28/01/1126332801.db2.gz SSZVKOPXEROCMP-BAABZTOOSA-N 2 0 336.436 -0.070 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CC1CC(NC(=O)CCN2CCOCC2)C1 ZINC001409275811 1126335493 /nfs/dbraw/zinc/33/54/93/1126335493.db2.gz NSSMNJWTJYGLNJ-HSBZDZAISA-N 2 0 326.441 -0.672 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001483144830 1126346295 /nfs/dbraw/zinc/34/62/95/1126346295.db2.gz FLICPUUMGJFKML-CYBMUJFWSA-N 2 0 346.497 -0.352 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001409369300 1126359409 /nfs/dbraw/zinc/35/94/09/1126359409.db2.gz BVRAOWAXWZSRLA-MNOVXSKESA-N 2 0 327.429 -0.733 20 0 EBADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CCCS(=O)(=O)N(C)C ZINC001409692618 1126393506 /nfs/dbraw/zinc/39/35/06/1126393506.db2.gz WEYQWQDIHGDUEB-UONOGXRCSA-N 2 0 348.513 -0.344 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001483274453 1126412822 /nfs/dbraw/zinc/41/28/22/1126412822.db2.gz BEUUBHCYCFFWDJ-NSHDSACASA-N 2 0 335.408 -0.349 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)NC1CCOCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001483284608 1126413659 /nfs/dbraw/zinc/41/36/59/1126413659.db2.gz PCJWKQIWQNYGAB-ZDUSSCGKSA-N 2 0 338.452 -0.528 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]CCN2CCNC2=O)C1 ZINC001483493207 1126431074 /nfs/dbraw/zinc/43/10/74/1126431074.db2.gz UYKQYEJQSQZHFM-CQSZACIVSA-N 2 0 325.457 -0.209 20 0 EBADRP CC[C@@H](C(=O)NC1(C[NH2+]CC(=O)NC(N)=O)CCCCC1)[NH+](C)C ZINC001409780425 1126440667 /nfs/dbraw/zinc/44/06/67/1126440667.db2.gz LCCJKPIZMZZGRL-LBPRGKRZSA-N 2 0 341.456 -0.070 20 0 EBADRP O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001649010960 1126458426 /nfs/dbraw/zinc/45/84/26/1126458426.db2.gz NNUNCQKLMYEWCD-ZOWXZIJZSA-N 2 0 327.450 -0.589 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001483742019 1126467503 /nfs/dbraw/zinc/46/75/03/1126467503.db2.gz DWHKCNPENLYIDU-CHWSQXEVSA-N 2 0 336.436 -0.096 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001483742024 1126467586 /nfs/dbraw/zinc/46/75/86/1126467586.db2.gz DWHKCNPENLYIDU-STQMWFEESA-N 2 0 336.436 -0.096 20 0 EBADRP Cn1nnnc1CN1CC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001483844900 1126481567 /nfs/dbraw/zinc/48/15/67/1126481567.db2.gz CQMHZGKFPVDRMA-INIZCTEOSA-N 2 0 335.456 -0.024 20 0 EBADRP O=C(N1CCC[C@H]1C[NH2+]C[C@H](O)Cn1cccn1)C12CC[NH+](CC1)C2 ZINC001483951578 1126493023 /nfs/dbraw/zinc/49/30/23/1126493023.db2.gz HVDMBKZYWJSOAA-HOTGVXAUSA-N 2 0 347.463 -0.080 20 0 EBADRP Cc1cccnc1C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001484210163 1126520674 /nfs/dbraw/zinc/52/06/74/1126520674.db2.gz CBRUZVDHYJOOOT-AEFFLSMTSA-N 2 0 348.447 -0.226 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@@]1(O)CC[N@H+](CCOCC(F)F)C1 ZINC001484250703 1126543703 /nfs/dbraw/zinc/54/37/03/1126543703.db2.gz JSYVWHCVMQYFHA-HNNXBMFYSA-N 2 0 335.395 -0.083 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@]1(O)CC[N@H+](CCOCC(F)F)C1 ZINC001484250704 1126543794 /nfs/dbraw/zinc/54/37/94/1126543794.db2.gz JSYVWHCVMQYFHA-OAHLLOKOSA-N 2 0 335.395 -0.083 20 0 EBADRP C[C@H]([NH2+]CCN1CCNC1=O)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001484356328 1126565142 /nfs/dbraw/zinc/56/51/42/1126565142.db2.gz KRMQAEUOBHKOAU-LSDHHAIUSA-N 2 0 337.468 -0.066 20 0 EBADRP COC[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C1 ZINC001484410415 1126570753 /nfs/dbraw/zinc/57/07/53/1126570753.db2.gz BTUASRWASQNPDU-ZNMIVQPWSA-N 2 0 325.453 -0.274 20 0 EBADRP CN(C(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCO1)C1CC1 ZINC001484686670 1126621858 /nfs/dbraw/zinc/62/18/58/1126621858.db2.gz ARDJZUMUZYZYDO-AWEZNQCLSA-N 2 0 326.441 -0.624 20 0 EBADRP CN(CCC[N@H+](C)CC(=O)NC(N)=O)C(=O)CC[C@H]1CCC[NH+]1C ZINC001484745655 1126628732 /nfs/dbraw/zinc/62/87/32/1126628732.db2.gz OCFVKJUBOVIGTA-CYBMUJFWSA-N 2 0 341.456 -0.164 20 0 EBADRP CC[C@H](C(=O)N(C)CCC[N@H+](C)[C@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001484765752 1126633307 /nfs/dbraw/zinc/63/33/07/1126633307.db2.gz QGOBAYBNSQRVDL-OLZOCXBDSA-N 2 0 326.441 -0.088 20 0 EBADRP COCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001484854278 1126645073 /nfs/dbraw/zinc/64/50/73/1126645073.db2.gz UFMVJVMMUSZGDN-DOTOQJQBSA-N 2 0 343.468 -0.456 20 0 EBADRP CC1CC[NH+](CC(=O)NC2(C[NH2+]CC(N)=O)CCOCC2)CC1 ZINC001484870491 1126647493 /nfs/dbraw/zinc/64/74/93/1126647493.db2.gz FRWPTNLTAIEBJX-UHFFFAOYSA-N 2 0 326.441 -0.541 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001484905430 1126652142 /nfs/dbraw/zinc/65/21/42/1126652142.db2.gz NVFRBMUDZDBQDL-RYUDHWBXSA-N 2 0 327.429 -0.650 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC(O)(C[NH2+]CC(=O)NC2CC2)CC1 ZINC001484964433 1126657333 /nfs/dbraw/zinc/65/73/33/1126657333.db2.gz IKJWQSAPGWXRPJ-UHFFFAOYSA-N 2 0 340.468 -0.452 20 0 EBADRP C[N@H+](CC(=O)NC1CC(C[NH2+]CCS(C)(=O)=O)C1)C1CCC1 ZINC001485094352 1126674304 /nfs/dbraw/zinc/67/43/04/1126674304.db2.gz RDMQLAZNIQNTDM-UHFFFAOYSA-N 2 0 331.482 0.000 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCN1CCNC1=O ZINC001493570073 1126677105 /nfs/dbraw/zinc/67/71/05/1126677105.db2.gz MHXOVPZFMQUPJG-AWEZNQCLSA-N 2 0 325.457 -0.066 20 0 EBADRP CCN(CC[NH3+])C(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC001649037141 1126678344 /nfs/dbraw/zinc/67/83/44/1126678344.db2.gz PZVHNHIUTDEDIM-UHFFFAOYSA-N 2 0 331.214 -0.010 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001485337062 1126689732 /nfs/dbraw/zinc/68/97/32/1126689732.db2.gz RKKVPJNHBQPGPQ-NWDGAFQWSA-N 2 0 341.456 -0.119 20 0 EBADRP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC001485537199 1126743769 /nfs/dbraw/zinc/74/37/69/1126743769.db2.gz HSTUEVXSPWNEPH-LBPRGKRZSA-N 2 0 337.424 -0.930 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CC(=O)N(C)C)C1 ZINC001485647261 1126789649 /nfs/dbraw/zinc/78/96/49/1126789649.db2.gz AEMGMUAFYYIVNX-ZIAGYGMSSA-N 2 0 328.457 -0.378 20 0 EBADRP CN1CC[C@@H]([N@H+](C)CCOCCNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001485776957 1126823938 /nfs/dbraw/zinc/82/39/38/1126823938.db2.gz LDIWSHKHCJGCEU-CQSZACIVSA-N 2 0 338.452 -0.623 20 0 EBADRP C[NH+](C)C1(C(=O)NCCOCC[N@@H+](C)[C@@H]2CCCNC2=O)CCC1 ZINC001485773646 1126834338 /nfs/dbraw/zinc/83/43/38/1126834338.db2.gz YTABVYFLWFBCJN-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)[NH2+]CCNS(C)(=O)=O ZINC001485895572 1126910923 /nfs/dbraw/zinc/91/09/23/1126910923.db2.gz MVEMWEMZXOYWDD-ZDUSSCGKSA-N 2 0 346.497 -0.400 20 0 EBADRP C[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(N)=O)[NH+]1CCCCCC1 ZINC001485929687 1126922393 /nfs/dbraw/zinc/92/23/93/1126922393.db2.gz CEJOGEIKQVFBQC-QWHCGFSZSA-N 2 0 341.456 -0.118 20 0 EBADRP Cc1noc(CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001485982694 1126947826 /nfs/dbraw/zinc/94/78/26/1126947826.db2.gz NMPFBWSQTQPFRQ-OLZOCXBDSA-N 2 0 325.413 -0.528 20 0 EBADRP C[C@H]([NH2+][C@@H](CO)CNC(=O)CC1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001486040939 1126987395 /nfs/dbraw/zinc/98/73/95/1126987395.db2.gz HBRSSOHPGRGHOD-SWLSCSKDSA-N 2 0 340.468 -0.548 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCCC2)CC[N@@H+]1C ZINC001486028442 1126999080 /nfs/dbraw/zinc/99/90/80/1126999080.db2.gz VXGLVOHBLHXYJI-SOUVJXGZSA-N 2 0 340.468 -0.594 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](CO)[NH2+]CCN2CCCC2=O)C1 ZINC001486032797 1127002618 /nfs/dbraw/zinc/00/26/18/1127002618.db2.gz DEUSZSWPNDYTHY-KBPBESRZSA-N 2 0 326.441 -0.983 20 0 EBADRP CO[C@@H](C[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2)C1CCC1 ZINC001486053329 1127023094 /nfs/dbraw/zinc/02/30/94/1127023094.db2.gz YVWRWQBFEMCJMH-CABCVRRESA-N 2 0 325.453 -0.036 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)[C@H]1C ZINC001486092228 1127031689 /nfs/dbraw/zinc/03/16/89/1127031689.db2.gz MTBHURYIGDSNFM-ZIAGYGMSSA-N 2 0 348.513 -0.201 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]2C1 ZINC001486160000 1127051831 /nfs/dbraw/zinc/05/18/31/1127051831.db2.gz DZAUMQDQHACHMH-XQQFMLRXSA-N 2 0 339.440 -0.650 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001486309904 1127114103 /nfs/dbraw/zinc/11/41/03/1127114103.db2.gz MWXNKPVLXRXWFL-KBPBESRZSA-N 2 0 342.484 -0.348 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001486309905 1127114450 /nfs/dbraw/zinc/11/44/50/1127114450.db2.gz MWXNKPVLXRXWFL-KGLIPLIRSA-N 2 0 342.484 -0.348 20 0 EBADRP C[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001486309636 1127114496 /nfs/dbraw/zinc/11/44/96/1127114496.db2.gz KIRALGCCZLSWGG-CZUORRHYSA-N 2 0 327.469 -0.102 20 0 EBADRP CN(C[C@@H](O)C[NH2+][C@H]1CCCNC1=O)C(=O)CC[NH+]1CCCCC1 ZINC001486319184 1127120671 /nfs/dbraw/zinc/12/06/71/1127120671.db2.gz XKQLZVCAJYKFLW-GJZGRUSLSA-N 2 0 340.468 -0.450 20 0 EBADRP CN(C[C@H](O)C[NH2+][C@@H]1CCCNC1=O)C(=O)CC[NH+]1CCCCC1 ZINC001486319185 1127120988 /nfs/dbraw/zinc/12/09/88/1127120988.db2.gz XKQLZVCAJYKFLW-HUUCEWRRSA-N 2 0 340.468 -0.450 20 0 EBADRP CCN(CC)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001486312020 1127124889 /nfs/dbraw/zinc/12/48/89/1127124889.db2.gz SHAKLZVIEJPPAQ-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@@H](NC(=O)CC[NH+](C)C)C1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC001486439896 1127177998 /nfs/dbraw/zinc/17/79/98/1127177998.db2.gz RHOBGCOGWVJVLE-CYBMUJFWSA-N 2 0 348.513 -0.296 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC(CCO)(NC(=O)CCn3ccnc3)C2)C1 ZINC001487041704 1127393621 /nfs/dbraw/zinc/39/36/21/1127393621.db2.gz CDPFPBJLRNXOBZ-CQSZACIVSA-N 2 0 349.435 -0.696 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC(CCO)(NC(=O)CC[NH+](C)C)C2)C1 ZINC001487050940 1127398036 /nfs/dbraw/zinc/39/80/36/1127398036.db2.gz SWBMOMXWDHHJRK-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP CN1CC[C@H]([N@H+]2C[C@@H]3[C@@H](CNC(=O)CCc4c[nH]cn4)[C@@H]3C2)C1=O ZINC001410061206 1127531904 /nfs/dbraw/zinc/53/19/04/1127531904.db2.gz IRNDVZAUPRFODN-XQLPTFJDSA-N 2 0 331.420 -0.133 20 0 EBADRP CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001410076921 1127542959 /nfs/dbraw/zinc/54/29/59/1127542959.db2.gz LWGAORVCYNTBOJ-YHUYYLMFSA-N 2 0 334.464 -0.242 20 0 EBADRP CN1CC[C@@H]([N@H+]2C[C@@H]3[C@@H](CNC(=O)C4([NH+](C)C)CCC4)[C@@H]3C2)C1=O ZINC001410077539 1127543698 /nfs/dbraw/zinc/54/36/98/1127543698.db2.gz PTNXGFAGFMUDAX-APIJFGDWSA-N 2 0 334.464 -0.005 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001410125237 1127590462 /nfs/dbraw/zinc/59/04/62/1127590462.db2.gz IMMVMUUTZIDWOE-STQMWFEESA-N 2 0 326.441 -0.984 20 0 EBADRP C[C@H]([NH2+]CC(=O)N1CCC1)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001410164682 1127623302 /nfs/dbraw/zinc/62/33/02/1127623302.db2.gz PFWWILPQXVBVKO-UONOGXRCSA-N 2 0 326.441 -0.624 20 0 EBADRP CC1CC[NH+](CC(=O)NC[C@H](O)CNC(=O)CC[NH+](C)C)CC1 ZINC001410167147 1127624421 /nfs/dbraw/zinc/62/44/21/1127624421.db2.gz PQMUKCLGRBHJGT-CQSZACIVSA-N 2 0 328.457 -0.737 20 0 EBADRP C[N@H+](CC(=O)NC(N)=O)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001410264428 1127662999 /nfs/dbraw/zinc/66/29/99/1127662999.db2.gz XHWSLXVLDOIDBO-LLVKDONJSA-N 2 0 325.413 -0.944 20 0 EBADRP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC1CCOCC1 ZINC001410430327 1127712479 /nfs/dbraw/zinc/71/24/79/1127712479.db2.gz XQLGISKLRHNODS-UKRRQHHQSA-N 2 0 340.468 -0.188 20 0 EBADRP CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O)[NH+]1CCCC1 ZINC001410512631 1127731731 /nfs/dbraw/zinc/73/17/31/1127731731.db2.gz OCLKPQCFNDBEDN-OCCSQVGLSA-N 2 0 341.456 -0.262 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(C(N)=O)cc2)CCC1 ZINC001410645037 1127787500 /nfs/dbraw/zinc/78/75/00/1127787500.db2.gz DALIMKGOMQUMTE-HNNXBMFYSA-N 2 0 348.447 -0.164 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NC2CCCC2)CC[N@@H+]1C ZINC001410660329 1127795764 /nfs/dbraw/zinc/79/57/64/1127795764.db2.gz QVUSMGVXTPFZQG-VHDGCEQUSA-N 2 0 340.468 -0.548 20 0 EBADRP Cc1c(C(=O)NC[C@@H](CO)[NH2+][C@H]2CCCNC2=O)ccc2c[nH+]cn21 ZINC001410662031 1127797664 /nfs/dbraw/zinc/79/76/64/1127797664.db2.gz FOJKSRRNNJTZTP-WFASDCNBSA-N 2 0 345.403 -0.398 20 0 EBADRP CC(C)CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001410665788 1127800893 /nfs/dbraw/zinc/80/08/93/1127800893.db2.gz ZERVUKDTJFUAAN-LSDHHAIUSA-N 2 0 340.468 -0.833 20 0 EBADRP C[C@@H]1[C@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001410827283 1127908928 /nfs/dbraw/zinc/90/89/28/1127908928.db2.gz YQQNSXXJMJIRNO-ZYHUDNBSSA-N 2 0 325.413 -0.755 20 0 EBADRP C[C@H]1[C@H]([NH2+]CCN2CCCS2(=O)=O)CCN1C(=O)CC[NH+](C)C ZINC001410872865 1127925264 /nfs/dbraw/zinc/92/52/64/1127925264.db2.gz ZBPIXFCELVKUMV-UONOGXRCSA-N 2 0 346.497 -0.447 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001411055204 1127990476 /nfs/dbraw/zinc/99/04/76/1127990476.db2.gz DKMJLYHUEMKRNO-KGLIPLIRSA-N 2 0 328.457 -0.644 20 0 EBADRP CN(C[C@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001411062517 1127996931 /nfs/dbraw/zinc/99/69/31/1127996931.db2.gz PAATVVARTUXKJV-KGLIPLIRSA-N 2 0 326.441 -0.842 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N(C)C2CC2)CC[N@@H+]1C ZINC001411072295 1128001622 /nfs/dbraw/zinc/00/16/22/1128001622.db2.gz VBKXCHHUGUMJGR-BPLDGKMQSA-N 2 0 340.468 -0.644 20 0 EBADRP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001411095506 1128013742 /nfs/dbraw/zinc/01/37/42/1128013742.db2.gz LADQFTHRUPVQJE-IAQYHMDHSA-N 2 0 332.420 -0.907 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001411156836 1128050033 /nfs/dbraw/zinc/05/00/33/1128050033.db2.gz OMOKFHFPQAHTAL-WMLDXEAASA-N 2 0 340.468 -0.498 20 0 EBADRP CN(C[C@@H](O)C[N@H+](C)CCn1cncn1)C(=O)C1([NH+](C)C)CCC1 ZINC001411165505 1128058692 /nfs/dbraw/zinc/05/86/92/1128058692.db2.gz DQKVPOVUDZGDFQ-AWEZNQCLSA-N 2 0 338.456 -0.487 20 0 EBADRP CN(C[C@@H](O)C[N@H+](C)C[C@@H]1CCc2ncnn21)C(=O)CC[NH+](C)C ZINC001411192551 1128088895 /nfs/dbraw/zinc/08/88/95/1128088895.db2.gz VWBQDOZJHJYRDY-KBPBESRZSA-N 2 0 338.456 -0.532 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CC(=O)NC(N)=O)C(C)(C)C)C1 ZINC001411220084 1128095325 /nfs/dbraw/zinc/09/53/25/1128095325.db2.gz DRMWSXSQAHXQBI-GHMZBOCLSA-N 2 0 327.429 -0.747 20 0 EBADRP CCN(C)C(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001411252027 1128104782 /nfs/dbraw/zinc/10/47/82/1128104782.db2.gz GRMWIFOQIJCRMF-NRXISQOPSA-N 2 0 340.468 -0.236 20 0 EBADRP C[NH2+]CCN(CCNC(=O)C1([NH+](C)C)CC1)C(=O)C1([NH+](C)C)CC1 ZINC001649143762 1128135468 /nfs/dbraw/zinc/13/54/68/1128135468.db2.gz WBASHXHCJCMGGA-UHFFFAOYSA-N 3 0 339.484 -0.661 20 0 EBADRP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@@H+]([C@@H]1CCNC1=O)C2 ZINC001092203068 1128214959 /nfs/dbraw/zinc/21/49/59/1128214959.db2.gz BLFVSYBMHMRHEK-CPUCHLNUSA-N 2 0 332.448 -0.249 20 0 EBADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001092909161 1128282970 /nfs/dbraw/zinc/28/29/70/1128282970.db2.gz BKBAFTFWOSGXSV-KFWWJZLASA-N 2 0 340.468 -0.474 20 0 EBADRP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133723 1128296422 /nfs/dbraw/zinc/29/64/22/1128296422.db2.gz LVOUOEFRYXPGCO-MCIONIFRSA-N 2 0 348.447 -0.429 20 0 EBADRP CN(CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)S(C)(=O)=O ZINC001187842010 1128355990 /nfs/dbraw/zinc/35/59/90/1128355990.db2.gz IMZOOZDHCHGJBU-CYBMUJFWSA-N 2 0 332.470 -0.836 20 0 EBADRP O=C(C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1)NC[C@@H]1CCCO1 ZINC001187835002 1128356004 /nfs/dbraw/zinc/35/60/04/1128356004.db2.gz MSAKXNHMEFZXLC-CABCVRRESA-N 2 0 338.452 -0.432 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187841410 1128356023 /nfs/dbraw/zinc/35/60/23/1128356023.db2.gz ANUAGVOLMAHHQB-NWDGAFQWSA-N 2 0 325.413 -0.883 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001488000618 1128537026 /nfs/dbraw/zinc/53/70/26/1128537026.db2.gz WOPSHGZQGZBKMH-UONOGXRCSA-N 2 0 340.468 -0.737 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001488004897 1128541297 /nfs/dbraw/zinc/54/12/97/1128541297.db2.gz JRILQDSOVBZEJU-GJZGRUSLSA-N 2 0 340.468 -0.737 20 0 EBADRP C[N@H+](CC(=O)N[C@@H](CO)CNC(=O)C1CC[NH+](C)CC1)C1CCC1 ZINC001488030081 1128571336 /nfs/dbraw/zinc/57/13/36/1128571336.db2.gz PICMUKUUDQUJQC-CQSZACIVSA-N 2 0 340.468 -0.594 20 0 EBADRP Cc1nccn1CC(=O)N(C)C[C@@H](O)CNC(=O)CCc1ncc[nH]1 ZINC001488362969 1128701503 /nfs/dbraw/zinc/70/15/03/1128701503.db2.gz UXAMMAHZLMDFTP-ZDUSSCGKSA-N 2 0 348.407 -0.517 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001488535195 1128782319 /nfs/dbraw/zinc/78/23/19/1128782319.db2.gz ZWCFFKLELFBODK-GRYCIOLGSA-N 2 0 327.429 -0.652 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001488804034 1128847388 /nfs/dbraw/zinc/84/73/88/1128847388.db2.gz JSNMCEJTWYIDNW-BETUJISGSA-N 2 0 339.440 -0.458 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001488871806 1128870759 /nfs/dbraw/zinc/87/07/59/1128870759.db2.gz DOPKIFPJDIJGEY-RBSFLKMASA-N 2 0 337.468 -0.162 20 0 EBADRP CCO[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001489023286 1128900061 /nfs/dbraw/zinc/90/00/61/1128900061.db2.gz ZOCCIPYQPPFDMN-HUUCEWRRSA-N 2 0 342.484 -0.132 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH+](CCO)CCCO)C2)C1 ZINC001489171605 1128916526 /nfs/dbraw/zinc/91/65/26/1128916526.db2.gz ZMRGKFCLRDQHRI-HOTGVXAUSA-N 2 0 327.469 -0.004 20 0 EBADRP C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001489346210 1128962258 /nfs/dbraw/zinc/96/22/58/1128962258.db2.gz RFKRRTQPVDSGEX-ZIAGYGMSSA-N 2 0 326.441 -0.888 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001489395827 1128976303 /nfs/dbraw/zinc/97/63/03/1128976303.db2.gz KASIMHRSCYOIEM-MGPQQGTHSA-N 2 0 346.447 -0.694 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001489359505 1128978134 /nfs/dbraw/zinc/97/81/34/1128978134.db2.gz KJGVDVYZGHVTKY-ZIAGYGMSSA-N 2 0 328.457 -0.644 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCN2C(=O)CNC2=O)C1 ZINC001490567910 1129227190 /nfs/dbraw/zinc/22/71/90/1129227190.db2.gz QQERXPHJSJUWPW-GFCCVEGCSA-N 2 0 325.413 -0.930 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1CC1 ZINC001490742826 1129252074 /nfs/dbraw/zinc/25/20/74/1129252074.db2.gz UZTVMBDVGNOFRX-ZYHUDNBSSA-N 2 0 327.429 -0.606 20 0 EBADRP O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12)NCC[C@@H]1CCC[NH2+]CC1 ZINC001649166349 1129270902 /nfs/dbraw/zinc/27/09/02/1129270902.db2.gz CWKZFWMORORLBN-KBUPBQIOSA-N 2 0 343.493 -0.095 20 0 EBADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)NC(=O)CCN1CCOCC1 ZINC001411419262 1129291296 /nfs/dbraw/zinc/29/12/96/1129291296.db2.gz IMKYZPVIVUSZML-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1)[NH+](C)C ZINC001414059548 1131367382 /nfs/dbraw/zinc/36/73/82/1131367382.db2.gz HFEMIOFYSJVJAZ-RDBSUJKOSA-N 2 0 328.457 -0.644 20 0 EBADRP C[NH+]1CCC(OCC(=O)NC2CCN([C@H]3CCOC3=O)CC2)CC1 ZINC001411945518 1129409051 /nfs/dbraw/zinc/40/90/51/1129409051.db2.gz CYIALARKEJDDEH-HNNXBMFYSA-N 2 0 339.436 -0.007 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001412639838 1129582984 /nfs/dbraw/zinc/58/29/84/1129582984.db2.gz QKNRMWXXCVPIJM-KBPBESRZSA-N 2 0 328.457 -0.378 20 0 EBADRP O=C(CC[NH+]1CCCCC1)NC[C@@H](CO)NC(=O)C[NH+]1CCCC1 ZINC001412884014 1129757322 /nfs/dbraw/zinc/75/73/22/1129757322.db2.gz QYSNFUOFPBUWJD-HNNXBMFYSA-N 2 0 340.468 -0.449 20 0 EBADRP C[NH+](C)CC1(C(=O)NC[C@H](CO)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001413083542 1129924002 /nfs/dbraw/zinc/92/40/02/1129924002.db2.gz ZNMKWNFHRHJOCQ-OLZOCXBDSA-N 2 0 326.441 -0.984 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)CNC(=O)[C@H]1CCC[NH+]1C ZINC001413273483 1129982857 /nfs/dbraw/zinc/98/28/57/1129982857.db2.gz VYXXECYHYSLWEJ-ZIAGYGMSSA-N 2 0 328.457 -0.644 20 0 EBADRP CN(C[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2)C(=O)CC[NH+](C)C ZINC001413333484 1130022644 /nfs/dbraw/zinc/02/26/44/1130022644.db2.gz NMEOVFGKCUGJPW-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]2C[N@H+](CC(=O)NC(N)=O)CC[C@H]21 ZINC001490984906 1130280493 /nfs/dbraw/zinc/28/04/93/1130280493.db2.gz VEGSPENBZYGUEH-CHWSQXEVSA-N 2 0 339.440 -0.554 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001491022737 1130293292 /nfs/dbraw/zinc/29/32/92/1130293292.db2.gz GMSDTBVKHZPDSX-XQQFMLRXSA-N 2 0 339.440 -0.447 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001491050909 1130306212 /nfs/dbraw/zinc/30/62/12/1130306212.db2.gz PKDDZIKRJMNCAU-RWMBFGLXSA-N 2 0 341.456 -0.202 20 0 EBADRP C[C@@H](C[NH2+][C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)CS(C)(=O)=O ZINC001491070736 1130311426 /nfs/dbraw/zinc/31/14/26/1130311426.db2.gz YQVMEYCVUXMEFT-MELADBBJSA-N 2 0 343.493 0.000 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001491073860 1130315053 /nfs/dbraw/zinc/31/50/53/1130315053.db2.gz WPBBWILNQCXNKC-SOUVJXGZSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@H](C[NH2+]CC(N)=O)C1 ZINC001491183904 1130352005 /nfs/dbraw/zinc/35/20/05/1130352005.db2.gz HPZWZDCBKDOEFU-UONOGXRCSA-N 2 0 326.441 -0.732 20 0 EBADRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC(=O)NC1CCOCC1 ZINC001491479270 1130463095 /nfs/dbraw/zinc/46/30/95/1130463095.db2.gz BFKWYQZIVDGASZ-CYBMUJFWSA-N 2 0 340.468 -0.140 20 0 EBADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001491564090 1130534056 /nfs/dbraw/zinc/53/40/56/1130534056.db2.gz JGFJZERFVGBWPL-STQMWFEESA-N 2 0 331.482 -0.143 20 0 EBADRP C[C@@](C[NH2+][C@H]1CCC(=O)NC1=O)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001318726765 1130689412 /nfs/dbraw/zinc/68/94/12/1130689412.db2.gz BNVCWMVVPROGKU-GUYCJALGSA-N 2 0 348.447 -0.238 20 0 EBADRP CN(CCOCCN(C)C(=O)[C@H]1CC[N@H+](C)C1)CC(=O)N(C)C ZINC001479679976 1130736527 /nfs/dbraw/zinc/73/65/27/1130736527.db2.gz DPWPOINRPWAOIE-AWEZNQCLSA-N 2 0 328.457 -0.567 20 0 EBADRP CC(C)(C(=O)NC[C@H](O)CNC(=O)C[NH+]1CCCC1)[NH+]1CCCC1 ZINC001416757580 1130793819 /nfs/dbraw/zinc/79/38/19/1130793819.db2.gz JWMFPWZQYGKTTK-CQSZACIVSA-N 2 0 340.468 -0.450 20 0 EBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001480530594 1130826655 /nfs/dbraw/zinc/82/66/55/1130826655.db2.gz KMCLDBUUZMKEAS-CHWSQXEVSA-N 2 0 331.482 -0.143 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCN2CCC[N@H+](C)CC2)CC1 ZINC001356584915 1130882001 /nfs/dbraw/zinc/88/20/01/1130882001.db2.gz PRXANHGESYRXBD-KRWDZBQOSA-N 3 0 327.517 -0.788 20 0 EBADRP C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001413976893 1131184257 /nfs/dbraw/zinc/18/42/57/1131184257.db2.gz VSTMEBNMJJPFBA-ZIAGYGMSSA-N 2 0 340.468 -0.500 20 0 EBADRP Cc1oc(C(N)=O)cc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001363939140 1132135657 /nfs/dbraw/zinc/13/56/57/1132135657.db2.gz OBLOWAFIAXVRBE-UHFFFAOYSA-N 2 0 346.453 -0.199 20 0 EBADRP CN1CCN(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC001364019766 1132168468 /nfs/dbraw/zinc/16/84/68/1132168468.db2.gz FPLBYCQNSZACFW-HUUCEWRRSA-N 2 0 347.529 -0.850 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1)C(=O)NC(N)=O ZINC001365813698 1132814056 /nfs/dbraw/zinc/81/40/56/1132814056.db2.gz BBLPBNPBRWTHOA-FVCCEPFGSA-N 2 0 339.440 -0.462 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1)C(=O)NC(N)=O ZINC001365835787 1132825131 /nfs/dbraw/zinc/82/51/31/1132825131.db2.gz VYBDQSCDGRTMDW-KKOKHZNYSA-N 2 0 325.413 -0.852 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)Nc2cnccn2)C1 ZINC001365835919 1132825321 /nfs/dbraw/zinc/82/53/21/1132825321.db2.gz CHBWSZPURMICTJ-MGPQQGTHSA-N 2 0 346.435 -0.006 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001365926597 1132890451 /nfs/dbraw/zinc/89/04/51/1132890451.db2.gz JZTYUWVHZDGBSA-CHWSQXEVSA-N 2 0 341.456 -0.119 20 0 EBADRP O=C(NCCN1CC[NH+](CCCO)CC1)C12CCC[NH+](CCC1)C2 ZINC001365958130 1132917616 /nfs/dbraw/zinc/91/76/16/1132917616.db2.gz CXHYVNKSMFRYHR-UHFFFAOYSA-N 2 0 338.496 -0.021 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCN2CC[NH+](CCO)CC2)C1 ZINC001365960122 1132920592 /nfs/dbraw/zinc/92/05/92/1132920592.db2.gz CKVLOJWXINVKRJ-INIZCTEOSA-N 2 0 326.485 -0.166 20 0 EBADRP COC[C@@H](O)C[NH+]1CCN(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001365961753 1132922244 /nfs/dbraw/zinc/92/22/44/1132922244.db2.gz JHMLZEJEXYREMM-INIZCTEOSA-N 2 0 342.484 -0.931 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1)[NH+](C)C ZINC001366097062 1133002108 /nfs/dbraw/zinc/00/21/08/1133002108.db2.gz ZTFLWZBFVNEHJO-SOUVJXGZSA-N 2 0 340.468 -0.188 20 0 EBADRP Cc1cc(NC(=O)C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)n(C)n1 ZINC001366111432 1133011498 /nfs/dbraw/zinc/01/14/98/1133011498.db2.gz QREVAHNFEGVJLL-IHRRRGAJSA-N 2 0 348.451 -0.002 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001366137517 1133022723 /nfs/dbraw/zinc/02/27/23/1133022723.db2.gz XIOQPNBRXJSESW-CYDGBPFRSA-N 2 0 339.440 -0.591 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1)C(=O)NC(N)=O ZINC001366153802 1133029834 /nfs/dbraw/zinc/02/98/34/1133029834.db2.gz DUWZINYGNHSTAQ-JLLWLGSASA-N 2 0 325.413 -0.852 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001366153077 1133030210 /nfs/dbraw/zinc/03/02/10/1133030210.db2.gz DURLKOSWODKGEG-LJISPDSOSA-N 2 0 338.452 -0.387 20 0 EBADRP CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001366166061 1133035302 /nfs/dbraw/zinc/03/53/02/1133035302.db2.gz RADCDIUOKSALNT-XDQVBPFNSA-N 2 0 326.441 -0.674 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001366174279 1133039087 /nfs/dbraw/zinc/03/90/87/1133039087.db2.gz UGIWJWXXKRNHHE-QLFBSQMISA-N 2 0 340.468 -0.141 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001366192801 1133049611 /nfs/dbraw/zinc/04/96/11/1133049611.db2.gz PRVUACZAVQPFFT-JSGCOSHPSA-N 2 0 341.456 -0.404 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001366218629 1133061153 /nfs/dbraw/zinc/06/11/53/1133061153.db2.gz NDCVIMLBLLQWCL-VXGBXAGGSA-N 2 0 325.413 -0.754 20 0 EBADRP C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+](C)C)C(=O)NC(N)=O ZINC001366221738 1133062658 /nfs/dbraw/zinc/06/26/58/1133062658.db2.gz ZKSUUWMPBYPFGT-RYUDHWBXSA-N 2 0 327.429 -0.508 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001366223324 1133063485 /nfs/dbraw/zinc/06/34/85/1133063485.db2.gz XOBJQOAIVQDTOT-ZDUSSCGKSA-N 2 0 341.456 -0.116 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001366333466 1133102103 /nfs/dbraw/zinc/10/21/03/1133102103.db2.gz UAXRDAFKDAQHMF-LBPRGKRZSA-N 2 0 341.456 -0.342 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CCN1CCCS1(=O)=O)[NH+](C)C ZINC001366346479 1133106904 /nfs/dbraw/zinc/10/69/04/1133106904.db2.gz MUSJLXZACWGVHC-KGLIPLIRSA-N 2 0 348.513 -0.298 20 0 EBADRP C[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CC(=O)N1CCCC1 ZINC001366356553 1133109259 /nfs/dbraw/zinc/10/92/59/1133109259.db2.gz IOYXQUGFJYXRPK-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NCc1cccnc1 ZINC001366358015 1133109879 /nfs/dbraw/zinc/10/98/79/1133109879.db2.gz MTQCDPFOOOMPQZ-AWEZNQCLSA-N 2 0 333.436 -0.112 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001366370852 1133115865 /nfs/dbraw/zinc/11/58/65/1133115865.db2.gz YDQWKPQZSAPUKE-OCCSQVGLSA-N 2 0 341.456 -0.343 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001366387879 1133125251 /nfs/dbraw/zinc/12/52/51/1133125251.db2.gz KOEINUGNNMQADT-JSGCOSHPSA-N 2 0 341.456 -0.391 20 0 EBADRP COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001366394946 1133128301 /nfs/dbraw/zinc/12/83/01/1133128301.db2.gz ZOWPIMDJGNVTTA-KBPBESRZSA-N 2 0 329.441 -0.705 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001366419840 1133139410 /nfs/dbraw/zinc/13/94/10/1133139410.db2.gz AELKCXAZWWATEO-QWHCGFSZSA-N 2 0 339.440 -0.445 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)[C@H](C)C(=O)NC(N)=O)C1 ZINC001366446088 1133146652 /nfs/dbraw/zinc/14/66/52/1133146652.db2.gz GGWUUSWDYCUKCK-CHWSQXEVSA-N 2 0 341.456 -0.166 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001366460925 1133150110 /nfs/dbraw/zinc/15/01/10/1133150110.db2.gz DTNKPGOESSPKKH-QJPTWQEYSA-N 2 0 327.429 -0.733 20 0 EBADRP C[C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)N1CCOCC1 ZINC001366482467 1133156058 /nfs/dbraw/zinc/15/60/58/1133156058.db2.gz FYYASTAYMAQZEZ-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[N@H+](CCNC(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1CCNC1=O ZINC001366635440 1133220075 /nfs/dbraw/zinc/22/00/75/1133220075.db2.gz OFMOVUDEPJNVNQ-AWEZNQCLSA-N 2 0 336.440 -0.615 20 0 EBADRP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001366704259 1133263055 /nfs/dbraw/zinc/26/30/55/1133263055.db2.gz SXGIEKVMWRDHRV-OLZOCXBDSA-N 2 0 339.440 -0.778 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+](CCN2CCNC2=O)C1 ZINC001366705070 1133264886 /nfs/dbraw/zinc/26/48/86/1133264886.db2.gz KLCJGWNXTJVLJR-CQSZACIVSA-N 2 0 325.457 -0.209 20 0 EBADRP CN(CC[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)C(=O)C[NH+]1CCCC1 ZINC001366778518 1133294845 /nfs/dbraw/zinc/29/48/45/1133294845.db2.gz ZTKSWSPQYITNKK-AWEZNQCLSA-N 2 0 348.451 -0.331 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001366844555 1133315034 /nfs/dbraw/zinc/31/50/34/1133315034.db2.gz KZOFGUWOPUERQV-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP CN(CCN1CC[NH+](CCO)CC1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001366847955 1133317664 /nfs/dbraw/zinc/31/76/64/1133317664.db2.gz HKCPLPAUWGBJBD-INIZCTEOSA-N 2 0 326.485 -0.071 20 0 EBADRP CN(CCN1CC[NH+](CCO)CC1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001366847957 1133318100 /nfs/dbraw/zinc/31/81/00/1133318100.db2.gz HKCPLPAUWGBJBD-MRXNPFEDSA-N 2 0 326.485 -0.071 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)C(=O)NC(N)=O ZINC001366886867 1133342917 /nfs/dbraw/zinc/34/29/17/1133342917.db2.gz FVSBTVCDAVKADS-AGIUHOORSA-N 2 0 339.440 -0.365 20 0 EBADRP COC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001366888352 1133343294 /nfs/dbraw/zinc/34/32/94/1133343294.db2.gz PHVLQJUEDYHVOS-JYJNAYRXSA-N 2 0 343.468 -0.457 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@H](O)Cn1cccn1 ZINC001367003954 1133418345 /nfs/dbraw/zinc/41/83/45/1133418345.db2.gz NYPPPXHQQXUBSH-JYJNAYRXSA-N 2 0 335.452 -0.129 20 0 EBADRP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC001367061053 1133462009 /nfs/dbraw/zinc/46/20/09/1133462009.db2.gz PKWVVWOSWWXNHK-GJZGRUSLSA-N 2 0 340.468 -0.546 20 0 EBADRP CC[C@H](C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCCC1)[NH+](C)C ZINC001367322016 1133550581 /nfs/dbraw/zinc/55/05/81/1133550581.db2.gz IGUYMTFENWQIPG-LLVKDONJSA-N 2 0 327.429 -0.460 20 0 EBADRP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C)C(=O)NC(=O)NC1CC1 ZINC001367375405 1133568727 /nfs/dbraw/zinc/56/87/27/1133568727.db2.gz JGBZPMLMRRPBAE-NWDGAFQWSA-N 2 0 341.456 -0.249 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001367385966 1133573193 /nfs/dbraw/zinc/57/31/93/1133573193.db2.gz OOYRBMRILRDHNQ-GFCCVEGCSA-N 2 0 341.456 -0.390 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001367390339 1133574598 /nfs/dbraw/zinc/57/45/98/1133574598.db2.gz KAYUWNMHYULQTO-OLZOCXBDSA-N 2 0 338.456 -0.371 20 0 EBADRP C[C@H](C[NH2+][C@H](C)C(=O)NC(N)=O)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001367397411 1133577704 /nfs/dbraw/zinc/57/77/04/1133577704.db2.gz PELODQTVGPICTN-CHWSQXEVSA-N 2 0 341.456 -0.262 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001367613536 1133693354 /nfs/dbraw/zinc/69/33/54/1133693354.db2.gz CMVCJALXHIISDX-STQMWFEESA-N 2 0 328.457 -0.690 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCCCC2)C1 ZINC001367614440 1133695042 /nfs/dbraw/zinc/69/50/42/1133695042.db2.gz AJMKPJWXLBRBNH-GJZGRUSLSA-N 2 0 340.468 -0.593 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001367673653 1133740591 /nfs/dbraw/zinc/74/05/91/1133740591.db2.gz VZVUSBQZILCEOL-VXGBXAGGSA-N 2 0 327.429 -0.591 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC(=O)NC(C)(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001367687959 1133746726 /nfs/dbraw/zinc/74/67/26/1133746726.db2.gz ARJGWIYNTXKZDM-VXGBXAGGSA-N 2 0 341.456 -0.201 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC1CCOCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001367689063 1133748278 /nfs/dbraw/zinc/74/82/78/1133748278.db2.gz IYLDMWGCJWUWBV-TZMCWYRMSA-N 2 0 326.441 -0.530 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001367692590 1133749294 /nfs/dbraw/zinc/74/92/94/1133749294.db2.gz KTLSPCVUGLYHRL-GFCCVEGCSA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@@H](C[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001367749210 1133770960 /nfs/dbraw/zinc/77/09/60/1133770960.db2.gz KMJYNLZUNNXHMP-BFHYXJOUSA-N 2 0 348.451 -0.286 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]C[C@H](C)NC(=O)C[NH+]2CCCC2)n(C)n1 ZINC001367771529 1133779322 /nfs/dbraw/zinc/77/93/22/1133779322.db2.gz KEWJHSOBPQSCBE-ZDUSSCGKSA-N 2 0 336.440 -0.143 20 0 EBADRP C[C@@H]([NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1)C(=O)NC(N)=O ZINC001367906064 1133833882 /nfs/dbraw/zinc/83/38/82/1133833882.db2.gz ABOOLWUWXFQRMH-ZWNOBZJWSA-N 2 0 339.440 -0.604 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]C[C@H](O)CN2CCCC2=O)CC1 ZINC001367993521 1133884266 /nfs/dbraw/zinc/88/42/66/1133884266.db2.gz UECGPRCYVXGDLB-UONOGXRCSA-N 2 0 338.452 -0.698 20 0 EBADRP COCC[N@H+](CC(N)=O)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001368051639 1133913417 /nfs/dbraw/zinc/91/34/17/1133913417.db2.gz MMUPJRCEGIUBOR-CQSZACIVSA-N 2 0 340.468 -0.247 20 0 EBADRP C[C@@H]([NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CCCC1)C(=O)NC(N)=O ZINC001368141914 1133955558 /nfs/dbraw/zinc/95/55/58/1133955558.db2.gz YQYOEZHWEUDNDM-YPMHNXCESA-N 2 0 341.456 -0.214 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@]1(O)CC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC001368259028 1134047655 /nfs/dbraw/zinc/04/76/55/1134047655.db2.gz IYPJVEWJQIFUNA-CZUORRHYSA-N 2 0 336.440 -0.730 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@]1(O)CC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC001368259029 1134048262 /nfs/dbraw/zinc/04/82/62/1134048262.db2.gz IYPJVEWJQIFUNA-XJKSGUPXSA-N 2 0 336.440 -0.730 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@]1(O)CC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC001368280708 1134095592 /nfs/dbraw/zinc/09/55/92/1134095592.db2.gz BVGPEGXUNXCRAQ-RHSMWYFYSA-N 2 0 348.451 -0.586 20 0 EBADRP COC[C@@H](O)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CCOCC1 ZINC001368281298 1134096385 /nfs/dbraw/zinc/09/63/85/1134096385.db2.gz HPRNEDUGBKSIRD-GJZGRUSLSA-N 2 0 343.468 -0.410 20 0 EBADRP COC[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC001368355853 1134161772 /nfs/dbraw/zinc/16/17/72/1134161772.db2.gz PMTIGNCMYXSGHN-XHSDSOJGSA-N 2 0 325.453 -0.274 20 0 EBADRP COC[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001368358644 1134163381 /nfs/dbraw/zinc/16/33/81/1134163381.db2.gz VQSBSVKRPKLJMH-YVSFHVDLSA-N 2 0 337.464 -0.274 20 0 EBADRP CNC(=O)C[NH2+]C1CCN(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001368360807 1134165006 /nfs/dbraw/zinc/16/50/06/1134165006.db2.gz QMKDUQIGYUZIPB-CQSZACIVSA-N 2 0 339.484 -0.756 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC(=O)NC)C[C@@H]2C1)[NH+](C)C ZINC001368363266 1134166740 /nfs/dbraw/zinc/16/67/40/1134166740.db2.gz JFSWCVQNTHOPSU-XQQFMLRXSA-N 2 0 339.440 -0.828 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC(=O)NC)C[C@@H]2C1)[NH+](C)C ZINC001368363261 1134166932 /nfs/dbraw/zinc/16/69/32/1134166932.db2.gz JFSWCVQNTHOPSU-FRRDWIJNSA-N 2 0 339.440 -0.828 20 0 EBADRP CC(C)[C@@H](C(=O)N(CCO)CC[NH2+][C@H]1CCCN(C)C1=O)[NH+](C)C ZINC001368409801 1134210987 /nfs/dbraw/zinc/21/09/87/1134210987.db2.gz LVZLJSURTGJJAA-GJZGRUSLSA-N 2 0 342.484 -0.396 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC001368502075 1134256058 /nfs/dbraw/zinc/25/60/58/1134256058.db2.gz CXJSRNNYNBVRKI-CAOSSQGBSA-N 2 0 343.468 -0.459 20 0 EBADRP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCO1 ZINC001368509624 1134262252 /nfs/dbraw/zinc/26/22/52/1134262252.db2.gz LLZHWZZKHDNEGB-GDBMZVCRSA-N 2 0 342.484 -0.084 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCO[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001368509688 1134262294 /nfs/dbraw/zinc/26/22/94/1134262294.db2.gz MGLDJGVKDMTMIS-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001368527089 1134275342 /nfs/dbraw/zinc/27/53/42/1134275342.db2.gz LKQHEFRIVJXYJU-OLZOCXBDSA-N 2 0 341.456 -0.295 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC001368533822 1134279969 /nfs/dbraw/zinc/27/99/69/1134279969.db2.gz OHACNCGCGYWOGX-QWHCGFSZSA-N 2 0 341.456 -0.118 20 0 EBADRP CN(CCC[N@H+](C)CCN(C)S(C)(=O)=O)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001368563039 1134291142 /nfs/dbraw/zinc/29/11/42/1134291142.db2.gz BATAUCFAXMDATL-CQSZACIVSA-N 2 0 348.513 -0.390 20 0 EBADRP CCNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001368629280 1134341681 /nfs/dbraw/zinc/34/16/81/1134341681.db2.gz KYYDESBZJCFTRT-BBRMVZONSA-N 2 0 328.457 -0.594 20 0 EBADRP C[NH+](C)CCCC(=O)NC1(C[NH2+]CC(=O)N2CCC2)CCOCC1 ZINC001368633063 1134345690 /nfs/dbraw/zinc/34/56/90/1134345690.db2.gz FCYNHQHORQPJID-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001368640150 1134349481 /nfs/dbraw/zinc/34/94/81/1134349481.db2.gz HHPRYFOGBVIXIW-XQQFMLRXSA-N 2 0 339.440 -0.460 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCNC2=O)[C@H](OCC)C1 ZINC001368657183 1134358968 /nfs/dbraw/zinc/35/89/68/1134358968.db2.gz JOFDSZYTQXYBAM-QLFBSQMISA-N 2 0 340.468 -0.330 20 0 EBADRP CC(C)[C@H](C(=O)N1CCC(O)(C[NH2+][C@@H](C)C(N)=O)CC1)[NH+](C)C ZINC001368684069 1134382755 /nfs/dbraw/zinc/38/27/55/1134382755.db2.gz RZNAGEKNDDILOC-QWHCGFSZSA-N 2 0 328.457 -0.611 20 0 EBADRP C[C@@H]([NH2+]CC1(O)CCN(C(=O)CC[NH+]2CCCCC2)CC1)C(N)=O ZINC001368693119 1134394517 /nfs/dbraw/zinc/39/45/17/1134394517.db2.gz ZTUOFQAUHJWIPP-CQSZACIVSA-N 2 0 340.468 -0.321 20 0 EBADRP C[C@@H]([NH2+][C@@H](C)CCNC(=O)CC[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001368752456 1134417800 /nfs/dbraw/zinc/41/78/00/1134417800.db2.gz CDRIZIYIZRNYMG-QWHCGFSZSA-N 2 0 341.456 -0.070 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)NC(N)=O)[NH+]1CCCC1 ZINC001368755852 1134419613 /nfs/dbraw/zinc/41/96/13/1134419613.db2.gz RVBCLWNFYLSVMW-JSGCOSHPSA-N 2 0 341.456 -0.214 20 0 EBADRP C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001368888476 1134475887 /nfs/dbraw/zinc/47/58/87/1134475887.db2.gz BRMNVUNHAXOKIB-OLZOCXBDSA-N 2 0 338.456 -0.033 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCN1CCCS1(=O)=O ZINC001368894814 1134478359 /nfs/dbraw/zinc/47/83/59/1134478359.db2.gz NOLLHQRQGZVCRR-KGLIPLIRSA-N 2 0 348.513 -0.155 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCN1CCCS1(=O)=O ZINC001368894819 1134478371 /nfs/dbraw/zinc/47/83/71/1134478371.db2.gz NOLLHQRQGZVCRR-ZIAGYGMSSA-N 2 0 348.513 -0.155 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)CCC1 ZINC001369131340 1134580961 /nfs/dbraw/zinc/58/09/61/1134580961.db2.gz KADOJFGWAMTBSE-QKDCVEJESA-N 2 0 334.464 -0.003 20 0 EBADRP CNC(=O)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001369147845 1134592537 /nfs/dbraw/zinc/59/25/37/1134592537.db2.gz CIIOOUGNWJQZHN-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@H]([C@H](C)[NH2+]CC(=O)N2CCC2)C1 ZINC001369155567 1134596714 /nfs/dbraw/zinc/59/67/14/1134596714.db2.gz JUVUBNIGPXDPNB-GJZGRUSLSA-N 2 0 340.468 -0.236 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)Nc2nncs2)C1 ZINC001369176642 1134607497 /nfs/dbraw/zinc/60/74/97/1134607497.db2.gz PHJHNRKRNCTNAL-XYPYZODXSA-N 2 0 340.453 -0.087 20 0 EBADRP CC(C)N(C)C(=O)[C@H](C)[NH2+][C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001369325022 1134666219 /nfs/dbraw/zinc/66/62/19/1134666219.db2.gz QGCQABDTSSMPGV-UONOGXRCSA-N 2 0 342.484 -0.207 20 0 EBADRP CC(C)NC(=O)C[NH2+][C@@H](CO)CNC(=O)CC1CC[NH+](C)CC1 ZINC001369367933 1134723260 /nfs/dbraw/zinc/72/32/60/1134723260.db2.gz ZHHVXOLXYVUKGW-CQSZACIVSA-N 2 0 328.457 -0.690 20 0 EBADRP O=C(CC[NH+]1CCCCC1)NC[C@H](CO)[NH2+][C@@H]1CCCNC1=O ZINC001369373320 1134729377 /nfs/dbraw/zinc/72/93/77/1134729377.db2.gz KJULLWCOTBDLEM-ZIAGYGMSSA-N 2 0 326.441 -0.792 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001369376859 1134735258 /nfs/dbraw/zinc/73/52/58/1134735258.db2.gz XQEHXEWMIMADFS-CHWSQXEVSA-N 2 0 341.456 -0.247 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](CO)[NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC001369384309 1134746623 /nfs/dbraw/zinc/74/66/23/1134746623.db2.gz TYGKNLAPNWCSHE-GOEBONIOSA-N 2 0 348.447 -0.306 20 0 EBADRP Cc1cc(C)n(CC[NH2+][C@@H](CO)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001369387281 1134749797 /nfs/dbraw/zinc/74/97/97/1134749797.db2.gz ZHDYWKABNJIBBD-JKSUJKDBSA-N 2 0 337.468 -0.092 20 0 EBADRP CN(C[C@H](O)C[NH2+]Cc1cnns1)C(=O)C[N@H+](C)C1CCC1 ZINC001369470901 1134823485 /nfs/dbraw/zinc/82/34/85/1134823485.db2.gz IVWFZGBTRXDLOW-GFCCVEGCSA-N 2 0 327.454 -0.069 20 0 EBADRP C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1)C(=O)N(C)C ZINC001369475779 1134835608 /nfs/dbraw/zinc/83/56/08/1134835608.db2.gz SPPUESOSIKVOTE-QWHCGFSZSA-N 2 0 328.457 -0.644 20 0 EBADRP CC1CC[NH+](CC(=O)N(C)C[C@H](O)C[NH2+][C@H]2CCNC2=O)CC1 ZINC001369483370 1134852323 /nfs/dbraw/zinc/85/23/23/1134852323.db2.gz NBINFUNUDRPXIN-KGLIPLIRSA-N 2 0 326.441 -0.984 20 0 EBADRP Cc1nn(C)cc1C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001369484419 1134853201 /nfs/dbraw/zinc/85/32/01/1134853201.db2.gz QBWJMMWXKGZGFY-XJKSGUPXSA-N 2 0 337.468 -0.021 20 0 EBADRP CC[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N1CCCC1)[NH+](C)C ZINC001369486937 1134857737 /nfs/dbraw/zinc/85/77/37/1134857737.db2.gz WZKNQFRYSUMIFN-ZIAGYGMSSA-N 2 0 328.457 -0.642 20 0 EBADRP C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)CC[NH+]1CCCCC1)C(=O)N(C)C ZINC001369490455 1134863978 /nfs/dbraw/zinc/86/39/78/1134863978.db2.gz PLCWOLFHOUMVRH-CABCVRRESA-N 2 0 342.484 -0.252 20 0 EBADRP CN(C[C@H](O)C[N@H+](C)[C@H]1CCCNC1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001369504615 1134891942 /nfs/dbraw/zinc/89/19/42/1134891942.db2.gz GULGASRKQXVFEJ-KGLIPLIRSA-N 2 0 340.468 -0.500 20 0 EBADRP CN(C(=O)CCC[NH+](C)C)C1CC([NH2+]CCN2CCNC2=O)C1 ZINC001369574819 1134945907 /nfs/dbraw/zinc/94/59/07/1134945907.db2.gz QXYPBUGNRKQDSH-UHFFFAOYSA-N 2 0 325.457 -0.068 20 0 EBADRP NC(=O)C[NH2+][C@@H](CNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001370199666 1135246484 /nfs/dbraw/zinc/24/64/84/1135246484.db2.gz XFYABHHAYLIAHY-AWEZNQCLSA-N 2 0 328.376 -0.149 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001370495845 1135376774 /nfs/dbraw/zinc/37/67/74/1135376774.db2.gz ZVBQJPNJGWDYCJ-ZDEQEGDKSA-N 2 0 341.456 -0.202 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1)C(=O)NC(N)=O ZINC001370499035 1135378128 /nfs/dbraw/zinc/37/81/28/1135378128.db2.gz JIWKCWNBXXMPKC-SRVKXCTJSA-N 2 0 339.440 -0.319 20 0 EBADRP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C1)C(N)=O ZINC001370542649 1135401474 /nfs/dbraw/zinc/40/14/74/1135401474.db2.gz OKPAEIQFKOPGHW-YRGRVCCFSA-N 2 0 326.441 -0.402 20 0 EBADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCCS2(=O)=O)C1)[NH+](C)C ZINC001370648454 1135450860 /nfs/dbraw/zinc/45/08/60/1135450860.db2.gz JQHPYDNCLABEJX-HZSPNIEDSA-N 2 0 346.497 -0.401 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001370705149 1135524000 /nfs/dbraw/zinc/52/40/00/1135524000.db2.gz CIBSLCMXFZSOKH-HUUCEWRRSA-N 2 0 340.468 -0.737 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001370709835 1135530744 /nfs/dbraw/zinc/53/07/44/1135530744.db2.gz FFSDEYKVVOIWBS-GASCZTMLSA-N 2 0 340.468 -0.140 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@H](CO)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001370710352 1135531681 /nfs/dbraw/zinc/53/16/81/1135531681.db2.gz WVALWKJPRNOECP-HUUCEWRRSA-N 2 0 338.452 -0.983 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H](CO)CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001370728723 1135557286 /nfs/dbraw/zinc/55/72/86/1135557286.db2.gz JXWKYCYUHPLOFE-UONOGXRCSA-N 2 0 340.468 -0.594 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](CO)CNC(=O)[C@H]1CCC[NH+]1C ZINC001370760861 1135604668 /nfs/dbraw/zinc/60/46/68/1135604668.db2.gz NKRDACHZVPRDAX-QWHCGFSZSA-N 2 0 328.457 -0.596 20 0 EBADRP CC[C@@H](C(=O)N[C@H](CO)CNC(=O)C[NH+]1CCC(C)CC1)[NH+](C)C ZINC001370778610 1135624801 /nfs/dbraw/zinc/62/48/01/1135624801.db2.gz QCEPRIVBUOYGHP-GJZGRUSLSA-N 2 0 342.484 -0.348 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H](CO)NC(=O)[C@H]1CCCc2nc[nH]c21 ZINC001370790044 1135634408 /nfs/dbraw/zinc/63/44/08/1135634408.db2.gz OFRRCHADZXCFKS-RYUDHWBXSA-N 2 0 337.424 -0.625 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001370811870 1135653240 /nfs/dbraw/zinc/65/32/40/1135653240.db2.gz YZIVYZJMZXHBHH-NWDGAFQWSA-N 2 0 325.413 -0.896 20 0 EBADRP CC[NH+](CC)CC(=O)N(C)C[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001371006079 1135762965 /nfs/dbraw/zinc/76/29/65/1135762965.db2.gz FJYCTVGWFMOFER-OAHLLOKOSA-N 2 0 342.484 -0.395 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC(=O)N1CCOCC1 ZINC001371181004 1135857535 /nfs/dbraw/zinc/85/75/35/1135857535.db2.gz VGXFBBMZBMRYEP-ZFWWWQNUSA-N 2 0 338.452 -0.719 20 0 EBADRP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001371418949 1135907008 /nfs/dbraw/zinc/90/70/08/1135907008.db2.gz AAAHISXTEXVPPV-NEPJUHHUSA-N 2 0 339.440 -0.589 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001371462160 1135923220 /nfs/dbraw/zinc/92/32/20/1135923220.db2.gz BBJYWIOVHFYOCF-RRFJBIMHSA-N 2 0 340.468 -0.500 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001371463721 1135924436 /nfs/dbraw/zinc/92/44/36/1135924436.db2.gz ZWPFSQCSPUDQNG-RBSFLKMASA-N 2 0 342.484 -0.254 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001371468484 1135927825 /nfs/dbraw/zinc/92/78/25/1135927825.db2.gz VNVFSODMEVEOBC-QLFBSQMISA-N 2 0 340.468 -0.500 20 0 EBADRP C[N@H+](CC(=O)N1CC[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1)C1CCC1 ZINC001371510775 1135940928 /nfs/dbraw/zinc/94/09/28/1135940928.db2.gz SCKZEUCNVIROKL-HOCLYGCPSA-N 2 0 335.452 -0.081 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001371521951 1135947906 /nfs/dbraw/zinc/94/79/06/1135947906.db2.gz TWJJFCMQJOYRGA-QWHCGFSZSA-N 2 0 339.440 -0.508 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001371540837 1135962961 /nfs/dbraw/zinc/96/29/61/1135962961.db2.gz DDMAQZRUWXRSGK-IJEWVQPXSA-N 2 0 342.484 -0.398 20 0 EBADRP CC1CC[NH+](CC(=O)N2CC[C@H](C[NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001371616653 1135985917 /nfs/dbraw/zinc/98/59/17/1135985917.db2.gz NKPNOGRYTDBTIM-CYBMUJFWSA-N 2 0 339.440 -0.649 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001371773023 1136017911 /nfs/dbraw/zinc/01/79/11/1136017911.db2.gz VNZLJVVJZPUICV-LLVKDONJSA-N 2 0 327.429 -0.589 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1O ZINC001371850966 1136037106 /nfs/dbraw/zinc/03/71/06/1136037106.db2.gz SVRBABNJHNFDBU-CABCVRRESA-N 2 0 340.468 -0.642 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001372674252 1136266214 /nfs/dbraw/zinc/26/62/14/1136266214.db2.gz TUOGQIQCMHECSC-HUUCEWRRSA-N 2 0 343.493 -0.045 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CC[NH2+][C@H]1CCCN(C)C1=O ZINC001372989713 1136347833 /nfs/dbraw/zinc/34/78/33/1136347833.db2.gz KPWSJZWBKXXGNY-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001373963692 1136594480 /nfs/dbraw/zinc/59/44/80/1136594480.db2.gz LILQPMZEBNEBSO-CHWSQXEVSA-N 2 0 341.456 -0.247 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001374106167 1136623675 /nfs/dbraw/zinc/62/36/75/1136623675.db2.gz GUCGVJXGRFIFJP-NEPJUHHUSA-N 2 0 327.429 -0.874 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NCC2([NH2+]CC(N)=O)CCCC2)cn1 ZINC001374171942 1136643118 /nfs/dbraw/zinc/64/31/18/1136643118.db2.gz IDQCMKONRNKMPA-UHFFFAOYSA-N 2 0 336.440 -0.438 20 0 EBADRP C[C@H](C[NH2+]Cc1nc(=O)n(C)[nH]1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001374227101 1136653054 /nfs/dbraw/zinc/65/30/54/1136653054.db2.gz UZPGOGGZNGLHAZ-DGCLKSJQSA-N 2 0 336.440 -0.613 20 0 EBADRP C[C@H](C[NH2+]CC(=O)N1CCOCC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001374247733 1136657567 /nfs/dbraw/zinc/65/75/67/1136657567.db2.gz UGQHNDSFJBFBMU-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001374250630 1136658161 /nfs/dbraw/zinc/65/81/61/1136658161.db2.gz RFZNYROBLNZQPD-QWHCGFSZSA-N 2 0 341.456 -0.262 20 0 EBADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001374379833 1136680197 /nfs/dbraw/zinc/68/01/97/1136680197.db2.gz BJDXXELPVGGICE-NWDGAFQWSA-N 2 0 337.424 -0.896 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001374383311 1136680985 /nfs/dbraw/zinc/68/09/85/1136680985.db2.gz JMUMPARYAFDRCN-NWDGAFQWSA-N 2 0 327.429 -0.650 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CCN1CCNC1=O ZINC001374388136 1136681478 /nfs/dbraw/zinc/68/14/78/1136681478.db2.gz SXNOCKKNLCHUMN-ZIAGYGMSSA-N 2 0 325.457 -0.210 20 0 EBADRP CNC(=O)c1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001374589899 1136732046 /nfs/dbraw/zinc/73/20/46/1136732046.db2.gz JJHGXTDCKCECJV-HOTGVXAUSA-N 2 0 348.447 -0.293 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(C(N)=O)cc2)CCC1 ZINC001374613869 1136747051 /nfs/dbraw/zinc/74/70/51/1136747051.db2.gz FOEFUZBTPMIVDM-HNNXBMFYSA-N 2 0 348.447 -0.164 20 0 EBADRP O=C(NC[C@H](O)C[NH2+]C[C@H](O)Cc1ccccc1)C12CC[NH+](CC1)C2 ZINC001374667072 1136787774 /nfs/dbraw/zinc/78/77/74/1136787774.db2.gz ALZVMFZULFTTLI-IAGOWNOFSA-N 2 0 347.459 -0.248 20 0 EBADRP CCn1nnc(C)c1C[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374671952 1136791019 /nfs/dbraw/zinc/79/10/19/1136791019.db2.gz REOYNGHIFPDMRH-ZIAGYGMSSA-N 2 0 338.456 -0.485 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC(C)CC1 ZINC001374685619 1136800814 /nfs/dbraw/zinc/80/08/14/1136800814.db2.gz PNVMIZKUSPLNFD-OAHLLOKOSA-N 2 0 342.484 -0.348 20 0 EBADRP CCN(CC[NH2+][C@H]1CCN(C)C1=O)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001374721537 1136813921 /nfs/dbraw/zinc/81/39/21/1136813921.db2.gz DINCUVOXVWDHCH-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP CCN(CC[NH2+][C@H](C)C(=O)NC(N)=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001374724240 1136814550 /nfs/dbraw/zinc/81/45/50/1136814550.db2.gz WQXGVODIPNVQBG-GFCCVEGCSA-N 2 0 341.456 -0.118 20 0 EBADRP CCN(CC[NH2+][C@H](C)C(=O)NC(N)=O)C(=O)C[NH+]1CCC(C)CC1 ZINC001374726111 1136814988 /nfs/dbraw/zinc/81/49/88/1136814988.db2.gz SLNJNNNLNYBGPI-CYBMUJFWSA-N 2 0 341.456 -0.260 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001374827013 1136843809 /nfs/dbraw/zinc/84/38/09/1136843809.db2.gz FNEFVWJOYVOAEL-GFCCVEGCSA-N 2 0 339.440 -0.980 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)s1 ZINC001374841976 1136849017 /nfs/dbraw/zinc/84/90/17/1136849017.db2.gz GJXTZNBJFXKEHT-MWLCHTKSSA-N 2 0 340.453 -0.169 20 0 EBADRP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCOCC1)[NH+](C)C ZINC001374931958 1136878738 /nfs/dbraw/zinc/87/87/38/1136878738.db2.gz RGHVMKMWMICSOV-DZGCQCFKSA-N 2 0 328.457 -0.474 20 0 EBADRP C[C@@H](C[NH2+]C[C@H](O)CN1CCCC1=O)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374962907 1136885430 /nfs/dbraw/zinc/88/54/30/1136885430.db2.gz YNENPBBKIYLIKV-ZNMIVQPWSA-N 2 0 340.468 -0.594 20 0 EBADRP C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)NC(=O)C[NH+]1CCCC1 ZINC001374978250 1136888042 /nfs/dbraw/zinc/88/80/42/1136888042.db2.gz WYPRIMOQYUIKBR-RYUDHWBXSA-N 2 0 339.440 -0.447 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CCO1 ZINC000643552804 375898319 /nfs/dbraw/zinc/89/83/19/375898319.db2.gz KDWQROLSYYAVSX-STQMWFEESA-N 2 0 326.441 -0.496 20 0 EBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000643594607 375922805 /nfs/dbraw/zinc/92/28/05/375922805.db2.gz XNUJZIKCVRBOKS-HUUCEWRRSA-N 2 0 337.468 -0.955 20 0 EBADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000557246462 376167689 /nfs/dbraw/zinc/16/76/89/376167689.db2.gz KAOXBJLIGSYDQL-CQSZACIVSA-N 2 0 325.457 -0.922 20 0 EBADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]CCC(=O)NC(N)=O)c1 ZINC000564847508 376181841 /nfs/dbraw/zinc/18/18/41/376181841.db2.gz CXALQVGDPKRTMK-UHFFFAOYSA-N 2 0 335.408 -0.347 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC[C@@H]1CCCOC1 ZINC000625465235 376232825 /nfs/dbraw/zinc/23/28/25/376232825.db2.gz LJVNTCTXLKYWPG-HNNXBMFYSA-N 2 0 342.484 -0.129 20 0 EBADRP CCN1CCN(C(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)C[C@@H]1c1ncc[nH]1 ZINC000410483458 376470750 /nfs/dbraw/zinc/47/07/50/376470750.db2.gz DQZKHOPFUVLULJ-ZIAGYGMSSA-N 2 0 348.451 -0.223 20 0 EBADRP COC(=O)CCNC(=O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600755365 376493124 /nfs/dbraw/zinc/49/31/24/376493124.db2.gz GYWVPRLKLQMOEM-AWEZNQCLSA-N 2 0 327.425 -0.244 20 0 EBADRP COCCN(C)C[C@@H](O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000559638050 376598780 /nfs/dbraw/zinc/59/87/80/376598780.db2.gz QORKUCFSQUNUMG-QGZVFWFLSA-N 2 0 329.485 -0.030 20 0 EBADRP C[C@H]([NH3+])CNC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000642909940 376705153 /nfs/dbraw/zinc/70/51/53/376705153.db2.gz XQURBRWOYIIIRQ-RRFJBIMHSA-N 2 0 339.484 -0.533 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000077825638 376744676 /nfs/dbraw/zinc/74/46/76/376744676.db2.gz ZMTYTZXTNNRQSV-CQSZACIVSA-N 2 0 328.457 -0.147 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCC[NH2+]C2CC2)C[C@@H](C)O1 ZINC000642920008 376754932 /nfs/dbraw/zinc/75/49/32/376754932.db2.gz SVINDBMNYYNIEN-CHWSQXEVSA-N 2 0 326.441 -0.530 20 0 EBADRP COCC[NH2+]CC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000564724708 376897332 /nfs/dbraw/zinc/89/73/32/376897332.db2.gz AXOWAJYABXWJLQ-UONOGXRCSA-N 2 0 326.441 -0.671 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCOCC1 ZINC000561576060 376855090 /nfs/dbraw/zinc/85/50/90/376855090.db2.gz YIRWYGHQDMGRNB-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000564716583 376862426 /nfs/dbraw/zinc/86/24/26/376862426.db2.gz GZXFZCGWZSXRQG-ILXRZTDVSA-N 2 0 337.468 -0.162 20 0 EBADRP C[NH+](C)C[C@](C)(O)CNc1cc(NC[C@](C)(O)C[NH+](C)C)ncn1 ZINC000128204259 376871301 /nfs/dbraw/zinc/87/13/01/376871301.db2.gz LWSWJHNJMYAFIE-IYBDPMFKSA-N 2 0 340.472 -0.074 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](C(N)=O)C(C)(C)C)C1 ZINC000081611616 376998342 /nfs/dbraw/zinc/99/83/42/376998342.db2.gz XGBSFPGNMDVPCL-DZGCQCFKSA-N 2 0 342.484 -0.051 20 0 EBADRP C[NH+]1CC[C@@H](CC(=O)N[C@H](CO)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000635794274 377122443 /nfs/dbraw/zinc/12/24/43/377122443.db2.gz AVFXNPVQHGSIFX-KKUMJFAQSA-N 2 0 340.468 -0.737 20 0 EBADRP COC(=O)CCNC(=O)CN1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000570213868 377217849 /nfs/dbraw/zinc/21/78/49/377217849.db2.gz ZJKZWEMRMPZTGZ-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H](C(=O)NC[C@H]1CN(C(=O)[C@@H](C)[NH+](C)C)CCN1C)[NH+](C)C ZINC000636113251 377235720 /nfs/dbraw/zinc/23/57/20/377235720.db2.gz SLYDINRZRVVJFF-MCIONIFRSA-N 2 0 327.473 -0.855 20 0 EBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCc3ccc4c[nH+]cn4c3)CCN2C1=O ZINC000570409690 377243397 /nfs/dbraw/zinc/24/33/97/377243397.db2.gz BBPUFCLYYXLVJY-KGLIPLIRSA-N 2 0 328.376 -0.212 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000636486014 377423373 /nfs/dbraw/zinc/42/33/73/377423373.db2.gz DAOCVFWPMARMEV-HUUCEWRRSA-N 2 0 328.457 -0.291 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627367436 377417281 /nfs/dbraw/zinc/41/72/81/377417281.db2.gz UEBLIHKBRYUSPC-UKRRQHHQSA-N 2 0 340.468 -0.140 20 0 EBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000601351177 377537170 /nfs/dbraw/zinc/53/71/70/377537170.db2.gz UWHPWSGTYNWFLV-CVEARBPZSA-N 2 0 341.500 -0.376 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)CN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000364160656 377550078 /nfs/dbraw/zinc/55/00/78/377550078.db2.gz LLHQMZIEHNBJOY-KRWDZBQOSA-N 2 0 332.448 -0.010 20 0 EBADRP CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000392002437 377564754 /nfs/dbraw/zinc/56/47/54/377564754.db2.gz QIQVYFZAYPYUCE-KBPBESRZSA-N 2 0 346.497 -0.542 20 0 EBADRP [NH3+][C@@H]1CCCN(C(=O)C[C@]2(C(=O)N3CCC[C@@H]([NH3+])C3)CC[NH2+]C2)C1 ZINC000364571614 377626742 /nfs/dbraw/zinc/62/67/42/377626742.db2.gz CBPMSGNFZUUNJW-CKEIUWERSA-N 3 0 337.468 -0.744 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CC[NH+]1C1CCCC1 ZINC000636662574 377809802 /nfs/dbraw/zinc/80/98/02/377809802.db2.gz KUFGHODVWKOTHJ-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000592553969 377841875 /nfs/dbraw/zinc/84/18/75/377841875.db2.gz YXCSUHRSZAOLQH-KGLIPLIRSA-N 2 0 335.408 -0.215 20 0 EBADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)NC[C@@H]3C[N@@H+]4CCN3CCC4)c21 ZINC000595976476 378042768 /nfs/dbraw/zinc/04/27/68/378042768.db2.gz QMJBCERQGAGTPD-ZIAGYGMSSA-N 2 0 332.452 -0.161 20 0 EBADRP C[NH+]1CCC(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000636732438 378362918 /nfs/dbraw/zinc/36/29/18/378362918.db2.gz IZKQOJRMYRAOKW-AWEZNQCLSA-N 2 0 325.457 -0.033 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000636708721 378329210 /nfs/dbraw/zinc/32/92/10/378329210.db2.gz XCLPYMQFZFESHJ-OAHLLOKOSA-N 2 0 328.457 -0.147 20 0 EBADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000602508801 378361101 /nfs/dbraw/zinc/36/11/01/378361101.db2.gz MEFQJNOKEQPGPY-MRXNPFEDSA-N 2 0 327.425 -0.244 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000627378359 378399402 /nfs/dbraw/zinc/39/94/02/378399402.db2.gz KASAAQPYJFZKSD-CYBMUJFWSA-N 2 0 326.441 -0.719 20 0 EBADRP C[NH+](C)C1CCN(CCNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000636987977 378454226 /nfs/dbraw/zinc/45/42/26/378454226.db2.gz RNKUHXOBMLWCEV-OAHLLOKOSA-N 2 0 327.473 -0.622 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)NCC[NH+]2CC[C@H](O)C2)CCCO1 ZINC000637090946 378476365 /nfs/dbraw/zinc/47/63/65/378476365.db2.gz ZBQFGGJGNCLAGH-GJZGRUSLSA-N 2 0 328.457 -0.147 20 0 EBADRP CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000338149960 378740325 /nfs/dbraw/zinc/74/03/25/378740325.db2.gz NLCBFBVHVGWMIV-UONOGXRCSA-N 2 0 346.497 -0.494 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)NCCCN1CCOCC1)C1CCCC1 ZINC000339494018 378928650 /nfs/dbraw/zinc/92/86/50/378928650.db2.gz JYQSHMKQGMIRFX-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCCN2CCOCC2)CC[N@@H+]1C ZINC000339497127 378930713 /nfs/dbraw/zinc/93/07/13/378930713.db2.gz USIKOUWGUKSMAX-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+]1CCC(NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000339634169 378960998 /nfs/dbraw/zinc/96/09/98/378960998.db2.gz NGWZPMIRYIASEO-UHFFFAOYSA-N 2 0 339.484 -0.661 20 0 EBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NCCN2CCOC[C@H]2C)CC1 ZINC000339634571 378961233 /nfs/dbraw/zinc/96/12/33/378961233.db2.gz ZKYGFAWORQMSLJ-CQSZACIVSA-N 2 0 340.468 -0.188 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000339754674 379001072 /nfs/dbraw/zinc/00/10/72/379001072.db2.gz RSCHEDQJFCWRSN-HNNXBMFYSA-N 2 0 340.468 -0.185 20 0 EBADRP O[C@@H](C[NH2+]CC1(N2CCOCC2)CCOCC1)C[NH+]1CCCC1 ZINC000629580872 379055808 /nfs/dbraw/zinc/05/58/08/379055808.db2.gz XGFVWQSBRNFWEW-INIZCTEOSA-N 2 0 327.469 -0.086 20 0 EBADRP C[C@H](C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)N1CCOCC1 ZINC000339813904 379044457 /nfs/dbraw/zinc/04/44/57/379044457.db2.gz IRHFQGRCUOGLDQ-CQSZACIVSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000563648543 379067626 /nfs/dbraw/zinc/06/76/26/379067626.db2.gz ZSCCYQCPXAVDNL-MRXNPFEDSA-N 3 0 349.479 -0.246 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000339963067 379108995 /nfs/dbraw/zinc/10/89/95/379108995.db2.gz DWCQUZCPRNLHIK-UHFFFAOYSA-N 2 0 326.441 -0.576 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCN(C)C[C@@H]1c1ccccc1 ZINC000629785893 379136171 /nfs/dbraw/zinc/13/61/71/379136171.db2.gz HCGKGQSSNPUZMG-MRXNPFEDSA-N 2 0 348.447 -0.065 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000627290651 379121685 /nfs/dbraw/zinc/12/16/85/379121685.db2.gz XAYMPLIPOMPDQB-GFCCVEGCSA-N 2 0 342.465 -0.099 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000627291072 379121712 /nfs/dbraw/zinc/12/17/12/379121712.db2.gz JRENBSFCXAYGHJ-UHFFFAOYSA-N 2 0 328.457 -0.330 20 0 EBADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)C2)C1 ZINC000629822334 379161902 /nfs/dbraw/zinc/16/19/02/379161902.db2.gz KRGRUIALZAMGPK-FGTMMUONSA-N 2 0 334.464 -0.001 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000629793805 379138462 /nfs/dbraw/zinc/13/84/62/379138462.db2.gz ISBGHRFPTYAHPB-UHFFFAOYSA-N 2 0 340.468 -0.103 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000629792499 379138817 /nfs/dbraw/zinc/13/88/17/379138817.db2.gz QPQJUVRJMPRTPF-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP CC[NH+]1CCC(CCNC(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627295423 379139898 /nfs/dbraw/zinc/13/98/98/379139898.db2.gz CZDUGGJVHXPUMZ-UHFFFAOYSA-N 2 0 340.468 -0.151 20 0 EBADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627293625 379140805 /nfs/dbraw/zinc/14/08/05/379140805.db2.gz YHVQNALTMPYKAX-HOTGVXAUSA-N 2 0 348.447 -0.620 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000629800186 379142136 /nfs/dbraw/zinc/14/21/36/379142136.db2.gz PYWHOZJBGCFQNQ-KBPBESRZSA-N 2 0 326.441 -0.637 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000627297334 379144829 /nfs/dbraw/zinc/14/48/29/379144829.db2.gz HRLZLYSTODWMOI-CVEARBPZSA-N 2 0 348.447 -0.018 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCOCC[NH3+])[C@H](C)C1 ZINC000629797186 379146392 /nfs/dbraw/zinc/14/63/92/379146392.db2.gz AYMGVNIEQICUKO-KGLIPLIRSA-N 2 0 328.457 -0.391 20 0 EBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627401803 379147491 /nfs/dbraw/zinc/14/74/91/379147491.db2.gz JCNGLNQELIXVEC-CQSZACIVSA-N 2 0 338.452 -0.432 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000629804311 379147747 /nfs/dbraw/zinc/14/77/47/379147747.db2.gz SUVPWSRYQIOFMH-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP O=C(NCCCN1CCOCC1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000457390848 379184020 /nfs/dbraw/zinc/18/40/20/379184020.db2.gz CMIXMZIYFGOJDR-HNNXBMFYSA-N 2 0 328.457 -0.145 20 0 EBADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCC[N@H+]1CC[C@H](O)C1 ZINC000629914528 379215034 /nfs/dbraw/zinc/21/50/34/379215034.db2.gz XDWGIKRKDFIWPS-INIZCTEOSA-N 2 0 347.463 -0.224 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000458441490 379222565 /nfs/dbraw/zinc/22/25/65/379222565.db2.gz SCEASWGBLBEYQC-CABCVRRESA-N 2 0 328.457 -0.147 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000458412769 379221701 /nfs/dbraw/zinc/22/17/01/379221701.db2.gz BRMAAWVXWQCCIU-ZNMIVQPWSA-N 2 0 328.457 -0.196 20 0 EBADRP CCC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627302215 379231509 /nfs/dbraw/zinc/23/15/09/379231509.db2.gz CVNYIYNDOQXVQJ-AWEZNQCLSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)([NH+](C)C)C1 ZINC000627301708 379228888 /nfs/dbraw/zinc/22/88/88/379228888.db2.gz LZOLJWXWZOZUPF-JKIFEVAISA-N 2 0 340.468 -0.282 20 0 EBADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627324332 379330215 /nfs/dbraw/zinc/33/02/15/379330215.db2.gz XGTKEXATQMSISL-UHFFFAOYSA-N 2 0 340.468 -0.153 20 0 EBADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC1=O ZINC000629994285 379333942 /nfs/dbraw/zinc/33/39/42/379333942.db2.gz VWWOPDSVXNWVJU-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627329007 379335712 /nfs/dbraw/zinc/33/57/12/379335712.db2.gz XFINJRZMIFUYBO-HNNXBMFYSA-N 2 0 342.484 -0.096 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCCOCCC[NH3+])C1 ZINC000627333065 379346200 /nfs/dbraw/zinc/34/62/00/379346200.db2.gz SPHZLKCVIUQGJI-AWEZNQCLSA-N 2 0 328.457 -0.295 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000627332162 379341625 /nfs/dbraw/zinc/34/16/25/379341625.db2.gz RUPXNMIVXYNTSQ-KGLIPLIRSA-N 2 0 326.441 -0.672 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000627332334 379341763 /nfs/dbraw/zinc/34/17/63/379341763.db2.gz XDOHXUYESMVBPJ-HNNXBMFYSA-N 2 0 342.484 -0.083 20 0 EBADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627312324 379302921 /nfs/dbraw/zinc/30/29/21/379302921.db2.gz WICZWNNGFDQPFB-RBSFLKMASA-N 2 0 342.484 -0.049 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000627312108 379303986 /nfs/dbraw/zinc/30/39/86/379303986.db2.gz PQTSSGMEONMTCG-CABCVRRESA-N 2 0 342.484 -0.083 20 0 EBADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627332821 379344141 /nfs/dbraw/zinc/34/41/41/379344141.db2.gz KZAXZEKEZXIJKN-CABCVRRESA-N 2 0 340.468 -0.138 20 0 EBADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627312401 379304528 /nfs/dbraw/zinc/30/45/28/379304528.db2.gz XTWLBUOFNRNVJL-ZNMIVQPWSA-N 2 0 342.484 -0.097 20 0 EBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627311862 379304856 /nfs/dbraw/zinc/30/48/56/379304856.db2.gz JHGRTPJFEGFBBQ-RDBSUJKOSA-N 2 0 326.441 -0.672 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000486969518 379479740 /nfs/dbraw/zinc/47/97/40/379479740.db2.gz OBENHMFPWAIEOW-LSDHHAIUSA-N 2 0 325.453 -0.130 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000627398447 379581449 /nfs/dbraw/zinc/58/14/49/379581449.db2.gz MXPNLHHVSJEZAS-AWEZNQCLSA-N 2 0 327.473 -0.817 20 0 EBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000627402635 379583436 /nfs/dbraw/zinc/58/34/36/379583436.db2.gz MENOANKXMXSKRF-CQSZACIVSA-N 2 0 338.452 -0.447 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627422954 379590130 /nfs/dbraw/zinc/59/01/30/379590130.db2.gz ZJCHDFKGCVQQJL-UONOGXRCSA-N 2 0 340.468 -0.058 20 0 EBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627357215 379563929 /nfs/dbraw/zinc/56/39/29/379563929.db2.gz ADKCNKYNGVNPBP-ZDUSSCGKSA-N 2 0 326.441 -0.399 20 0 EBADRP C[C@H]1CC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C[NH2+]1 ZINC000627363271 379565165 /nfs/dbraw/zinc/56/51/65/379565165.db2.gz KBLGUQQPOMLLQL-UONOGXRCSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@H]1CC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCOCC2)C[NH2+]1 ZINC000627363269 379565859 /nfs/dbraw/zinc/56/58/59/379565859.db2.gz KBLGUQQPOMLLQL-KBPBESRZSA-N 2 0 326.441 -0.528 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NCCOCCC[NH3+])CCSC1 ZINC000627370469 379567996 /nfs/dbraw/zinc/56/79/96/379567996.db2.gz ANHANOAAZIIMRG-AWEZNQCLSA-N 2 0 332.470 -0.979 20 0 EBADRP C[NH+](C)CC1CCC(NC(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627365908 379568185 /nfs/dbraw/zinc/56/81/85/379568185.db2.gz BWVLAYQRDNSUJR-UHFFFAOYSA-N 2 0 328.457 -0.295 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627366993 379569613 /nfs/dbraw/zinc/56/96/13/379569613.db2.gz HSNMEYWVBZZWQG-MELADBBJSA-N 2 0 326.441 -0.530 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627384778 379576792 /nfs/dbraw/zinc/57/67/92/379576792.db2.gz ODTLNSVSNPWHQR-CALCHBBNSA-N 2 0 340.468 -0.471 20 0 EBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C[NH2+]1 ZINC000627484091 379631323 /nfs/dbraw/zinc/63/13/23/379631323.db2.gz QPORUIGSIVRAJO-ZIAGYGMSSA-N 2 0 340.468 -0.452 20 0 EBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCOCCC[NH3+])[C@H](C)C1 ZINC000627488577 379636075 /nfs/dbraw/zinc/63/60/75/379636075.db2.gz CIGSFJUVEAIBGB-ZIAGYGMSSA-N 2 0 328.457 -0.343 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000627493945 379641390 /nfs/dbraw/zinc/64/13/90/379641390.db2.gz WBSUDVWRZCSISB-OAHLLOKOSA-N 2 0 349.435 -0.794 20 0 EBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC000627493600 379641494 /nfs/dbraw/zinc/64/14/94/379641494.db2.gz MHMLSTXVQUNWJW-ZFWWWQNUSA-N 2 0 349.435 -0.796 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000627503513 379647410 /nfs/dbraw/zinc/64/74/10/379647410.db2.gz PWVPUYVMENTGBV-DZGCQCFKSA-N 2 0 339.484 -0.663 20 0 EBADRP C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000627507152 379647830 /nfs/dbraw/zinc/64/78/30/379647830.db2.gz CZDMDQKHVNNITE-TUVASFSCSA-N 2 0 338.452 -0.435 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)C[NH+]1CCCCC1 ZINC000627455773 379605780 /nfs/dbraw/zinc/60/57/80/379605780.db2.gz LWFSPQFIMHPYGS-AWEZNQCLSA-N 2 0 340.468 -0.151 20 0 EBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCOCC[NH2+]C)[C@@H](C)C1 ZINC000627462529 379610791 /nfs/dbraw/zinc/61/07/91/379610791.db2.gz VXSSCTADHWBBRA-UONOGXRCSA-N 2 0 328.457 -0.473 20 0 EBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627475991 379625526 /nfs/dbraw/zinc/62/55/26/379625526.db2.gz XYMQRYBFKPAYSK-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627126646 379810641 /nfs/dbraw/zinc/81/06/41/379810641.db2.gz HWXOVYWBZMPOIS-CYBMUJFWSA-N 2 0 325.457 -0.068 20 0 EBADRP CC(C)[NH2+]CCCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627072103 379796876 /nfs/dbraw/zinc/79/68/76/379796876.db2.gz ZLMCREVJABDSOD-UHFFFAOYSA-N 2 0 340.472 -0.273 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CCO1 ZINC000642298205 379798902 /nfs/dbraw/zinc/79/89/02/379798902.db2.gz QPABFJKIVVACBR-KBPBESRZSA-N 2 0 326.441 -0.447 20 0 EBADRP O=C(NC[C@@H]1C[NH2+]CCO1)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000627103806 379805468 /nfs/dbraw/zinc/80/54/68/379805468.db2.gz NJOHTAVCVRBYBO-JKSUJKDBSA-N 2 0 349.435 -0.430 20 0 EBADRP C[C@H]1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000631944270 379759285 /nfs/dbraw/zinc/75/92/85/379759285.db2.gz RYWNIJUKEVAUNG-LSDHHAIUSA-N 2 0 332.514 -0.130 20 0 EBADRP CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631953613 379764482 /nfs/dbraw/zinc/76/44/82/379764482.db2.gz OHLIFMMNABEZRQ-HNNXBMFYSA-N 2 0 332.514 -0.117 20 0 EBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000631918072 379777481 /nfs/dbraw/zinc/77/74/81/379777481.db2.gz SYTXQOSXHSWGRV-CQSZACIVSA-N 2 0 347.481 -0.461 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631918301 379777511 /nfs/dbraw/zinc/77/75/11/379777511.db2.gz YPCCOAWZTZDTQT-AWEZNQCLSA-N 2 0 334.486 -0.385 20 0 EBADRP C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000631924966 379780938 /nfs/dbraw/zinc/78/09/38/379780938.db2.gz JNWMHUWAYXAPQE-GJZGRUSLSA-N 2 0 331.482 -0.032 20 0 EBADRP COC1CC[NH+](CCNS(=O)(=O)N(C)C2CC[NH2+]CC2)CC1 ZINC000631925734 379781600 /nfs/dbraw/zinc/78/16/00/379781600.db2.gz DECVFTGHXKMFQD-UHFFFAOYSA-N 2 0 334.486 -0.385 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000631939433 379788340 /nfs/dbraw/zinc/78/83/40/379788340.db2.gz ABKZQOYADCNYGN-IYBDPMFKSA-N 2 0 344.525 -0.115 20 0 EBADRP [NH3+]C1(CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CCOCC1 ZINC000627152318 379817440 /nfs/dbraw/zinc/81/74/40/379817440.db2.gz VGLGTBBYGAAYDZ-AWEZNQCLSA-N 2 0 326.441 -0.142 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627157639 379817923 /nfs/dbraw/zinc/81/79/23/379817923.db2.gz YCDPHVLROIJNKW-UONOGXRCSA-N 2 0 338.456 -0.521 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NCCOCCC[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000627485147 379902441 /nfs/dbraw/zinc/90/24/41/379902441.db2.gz SZVQBRCEDNPCAV-KBPBESRZSA-N 2 0 328.457 -0.295 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)cn1 ZINC000633568327 379965432 /nfs/dbraw/zinc/96/54/32/379965432.db2.gz WUJYANAAFWFIIO-UHFFFAOYSA-N 2 0 336.440 -0.709 20 0 EBADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1=O ZINC000633106201 379940761 /nfs/dbraw/zinc/94/07/61/379940761.db2.gz LONQZPSLQPBXTG-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000633138901 379947568 /nfs/dbraw/zinc/94/75/68/379947568.db2.gz FIUDTSDUIKVRFR-QWHCGFSZSA-N 2 0 347.419 -0.313 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000633139010 379947716 /nfs/dbraw/zinc/94/77/16/379947716.db2.gz GBAKPQAWEPHYSZ-ILXRZTDVSA-N 2 0 337.468 -0.827 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)C1 ZINC000633146551 379949482 /nfs/dbraw/zinc/94/94/82/379949482.db2.gz PEAULDOQKDXJAI-SOUVJXGZSA-N 2 0 340.468 -0.106 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000354691400 380081515 /nfs/dbraw/zinc/08/15/15/380081515.db2.gz MORHUQCREXYTTD-CABCVRRESA-N 2 0 340.468 -0.282 20 0 EBADRP CC[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC[N@@H+]1C[C@H](C)O ZINC000354684169 380082428 /nfs/dbraw/zinc/08/24/28/380082428.db2.gz XJWQVJQSZJUHHX-RRFJBIMHSA-N 2 0 340.468 -0.452 20 0 EBADRP CC[C@@H]1CN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC[N@@H+]1C[C@@H](C)O ZINC000354684168 380082724 /nfs/dbraw/zinc/08/27/24/380082724.db2.gz XJWQVJQSZJUHHX-RBSFLKMASA-N 2 0 340.468 -0.452 20 0 EBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000354711545 380085393 /nfs/dbraw/zinc/08/53/93/380085393.db2.gz MAHVCNOWSYARGX-HUUCEWRRSA-N 2 0 338.452 -0.575 20 0 EBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000354711548 380086192 /nfs/dbraw/zinc/08/61/92/380086192.db2.gz MAHVCNOWSYARGX-LSDHHAIUSA-N 2 0 338.452 -0.575 20 0 EBADRP C[N@@H+]1CC[C@](O)(CNC(=O)c2cccc(N3CC[NH+](C)CC3)n2)C1 ZINC000545882247 380098370 /nfs/dbraw/zinc/09/83/70/380098370.db2.gz YPRYFVGIRFDTHP-KRWDZBQOSA-N 2 0 333.436 -0.370 20 0 EBADRP C[NH+]1CCC(O)(CNC(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000354962592 380124455 /nfs/dbraw/zinc/12/44/55/380124455.db2.gz TVXDCXBBMFOKOC-UHFFFAOYSA-N 2 0 328.457 -0.145 20 0 EBADRP C[NH+]1CCN(C[C@@H](NC(=O)CN2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000638137900 380199408 /nfs/dbraw/zinc/19/94/08/380199408.db2.gz QKCDXTMOYCONOV-GOSISDBHSA-N 2 0 345.491 -0.004 20 0 EBADRP C[C@](O)(CNC(=O)N[C@H]1CCn2ccnc2C1)CN1CCOCC1 ZINC000547675441 380154692 /nfs/dbraw/zinc/15/46/92/380154692.db2.gz MOASDGFOCPPIOB-BBRMVZONSA-N 2 0 337.424 -0.420 20 0 EBADRP C[C@]1(CO)C[C@@H](O)C[N@@H+]1CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000639853736 380226994 /nfs/dbraw/zinc/22/69/94/380226994.db2.gz LRVWXESDSOOWHW-RHSMWYFYSA-N 2 0 337.420 -0.259 20 0 EBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[NH+](C)CCOC ZINC000358574882 380235765 /nfs/dbraw/zinc/23/57/65/380235765.db2.gz UPAQGXDOLXRZFN-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccccn1 ZINC000555562149 380363483 /nfs/dbraw/zinc/36/34/83/380363483.db2.gz SMPPMTBISLDWMR-UHFFFAOYSA-N 2 0 335.452 -0.308 20 0 EBADRP CNC(=O)c1cccc(CC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000564650524 380377421 /nfs/dbraw/zinc/37/74/21/380377421.db2.gz BHMWCWVUVIKBSC-QGZVFWFLSA-N 2 0 334.464 -0.213 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)C1 ZINC000340254642 380349444 /nfs/dbraw/zinc/34/94/44/380349444.db2.gz LNQGJMPDYUUSPP-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)C1 ZINC000340254636 380349913 /nfs/dbraw/zinc/34/99/13/380349913.db2.gz LNQGJMPDYUUSPP-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000153226418 380424039 /nfs/dbraw/zinc/42/40/39/380424039.db2.gz AFJWIHBPIQHHFP-CYBMUJFWSA-N 2 0 336.440 -0.016 20 0 EBADRP CC[NH+]1CCC(CNC(=O)C(=O)NCCN2CCSCC2)CC1 ZINC000565907436 380439535 /nfs/dbraw/zinc/43/95/35/380439535.db2.gz MCTJYHVXBMXNOP-UHFFFAOYSA-N 2 0 342.509 -0.001 20 0 EBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)C2)CC1 ZINC000363053120 380452585 /nfs/dbraw/zinc/45/25/85/380452585.db2.gz HWUGOFQMEPYTQK-LBPRGKRZSA-N 2 0 346.497 -0.401 20 0 EBADRP O=C(CC[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1)N1CC[NH2+]CC1 ZINC000567353296 380513766 /nfs/dbraw/zinc/51/37/66/380513766.db2.gz LEKZCGDZRUQPOH-CQSZACIVSA-N 2 0 344.481 -0.692 20 0 EBADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]([NH3+])CC(=O)OC)cn2)CC1 ZINC000567497337 380521198 /nfs/dbraw/zinc/52/11/98/380521198.db2.gz RIQDUEAQQAASIC-AWEZNQCLSA-N 2 0 349.435 -0.270 20 0 EBADRP O=C([C@@H]1CC12CC[NH2+]CC2)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638479837 380482091 /nfs/dbraw/zinc/48/20/91/380482091.db2.gz FKTKYUYSLMDHEG-AWEZNQCLSA-N 2 0 335.452 -0.455 20 0 EBADRP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430538254 380533541 /nfs/dbraw/zinc/53/35/41/380533541.db2.gz AYHNVAIRENPSPQ-ZIAGYGMSSA-N 2 0 340.468 -0.071 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000340554846 380540772 /nfs/dbraw/zinc/54/07/72/380540772.db2.gz YDCDRTNHQYNDGI-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC2)c1 ZINC000567881047 380554344 /nfs/dbraw/zinc/55/43/44/380554344.db2.gz RPWARVWRZTXMJQ-QWHCGFSZSA-N 2 0 349.435 -0.019 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000340581937 380555683 /nfs/dbraw/zinc/55/56/83/380555683.db2.gz CXGLQPIGPWABBD-HNNXBMFYSA-N 2 0 342.484 -0.131 20 0 EBADRP CC[NH+]1CCN(CCCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000567894921 380556299 /nfs/dbraw/zinc/55/62/99/380556299.db2.gz FZMABJOPUYKSTA-OAHLLOKOSA-N 2 0 349.483 -0.213 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H](C)Cn1ccnc1 ZINC000340652201 380577793 /nfs/dbraw/zinc/57/77/93/380577793.db2.gz WSOLCODKQFOTDK-KBPBESRZSA-N 2 0 337.424 -0.385 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NCC[N@H+](C)C1CC1)C[NH+]1CCN(C)CC1 ZINC000340795991 380632801 /nfs/dbraw/zinc/63/28/01/380632801.db2.gz LLUAXHHQGBDEHA-AWEZNQCLSA-N 2 0 339.484 -0.804 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000340802989 380634541 /nfs/dbraw/zinc/63/45/41/380634541.db2.gz RSESLCQRMKHQQN-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCN1C[C@@H](C(=O)N[C@H](CO)C[NH+]2CCCCC2)CC1=O ZINC000340822964 380638971 /nfs/dbraw/zinc/63/89/71/380638971.db2.gz MVBDPDIUUKSJEH-GJZGRUSLSA-N 2 0 340.468 -0.641 20 0 EBADRP CN1CCN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)[C@H](C[NH3+])C1 ZINC000569093268 380629354 /nfs/dbraw/zinc/62/93/54/380629354.db2.gz PSRWJQAXPIQGMH-LSDHHAIUSA-N 2 0 337.468 -0.968 20 0 EBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCNC[C@@H]1c1cccnc1 ZINC000573801039 380686518 /nfs/dbraw/zinc/68/65/18/380686518.db2.gz NUOAQLDMCGNZHP-LSDHHAIUSA-N 2 0 331.420 -0.187 20 0 EBADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000572951455 380650178 /nfs/dbraw/zinc/65/01/78/380650178.db2.gz VQMVYNPLDNDKCC-CQSZACIVSA-N 2 0 341.500 -0.476 20 0 EBADRP COC[C@]1(C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC[NH2+]C1 ZINC000573117074 380659900 /nfs/dbraw/zinc/65/99/00/380659900.db2.gz DAQOMDKZGGSTPT-YOEHRIQHSA-N 2 0 338.452 -0.717 20 0 EBADRP CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)[C@H](C[NH3+])C1 ZINC000582410616 380757180 /nfs/dbraw/zinc/75/71/80/380757180.db2.gz IHRYYCJZWKUSEY-UKRRQHHQSA-N 2 0 337.468 -0.779 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH+](C)[C@H]1C ZINC000341529266 380711794 /nfs/dbraw/zinc/71/17/94/380711794.db2.gz VTJRKZUKDRQYEM-ZNMIVQPWSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C[C@@]1(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)CC[NH2+]C1 ZINC000576638245 380779942 /nfs/dbraw/zinc/77/99/42/380779942.db2.gz WTCBQDVWKMXUDC-DEEHTKSCSA-N 3 0 337.468 -0.748 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000576861144 380789193 /nfs/dbraw/zinc/78/91/93/380789193.db2.gz BIZVISBAQBDBJU-CQSZACIVSA-N 3 0 327.473 -0.865 20 0 EBADRP CC1CC[NH+](C[C@H](O)CNC(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418289735 380801434 /nfs/dbraw/zinc/80/14/34/380801434.db2.gz PGCOSSRUSLKCHB-MRXNPFEDSA-N 2 0 341.500 -0.326 20 0 EBADRP CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)C1 ZINC000374882745 380814749 /nfs/dbraw/zinc/81/47/49/380814749.db2.gz WHMHHFBORNCHIR-GJZGRUSLSA-N 2 0 331.482 -0.078 20 0 EBADRP COCCCNC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000178647959 380865116 /nfs/dbraw/zinc/86/51/16/380865116.db2.gz UMJUUIVZJHLNOM-UHFFFAOYSA-N 2 0 328.457 -0.471 20 0 EBADRP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC(CC[NH3+])CC2)CC1 ZINC000577737406 380839648 /nfs/dbraw/zinc/83/96/48/380839648.db2.gz PSQJFEVTKGHFEJ-UHFFFAOYSA-N 2 0 339.484 -0.720 20 0 EBADRP CC(C)CN1CCO[C@@H](C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000577841432 380845047 /nfs/dbraw/zinc/84/50/47/380845047.db2.gz NGCSWOFRSOXDOK-SJORKVTESA-N 3 0 328.501 -0.459 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](O)C(C)(C)C1 ZINC000577825151 380845337 /nfs/dbraw/zinc/84/53/37/380845337.db2.gz IZRXMJOZNLHXLR-AWEZNQCLSA-N 2 0 342.484 -0.442 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000417432238 380885953 /nfs/dbraw/zinc/88/59/53/380885953.db2.gz SNMPUIVVYILYDJ-KGLIPLIRSA-N 2 0 325.457 -0.020 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC000563799479 380954707 /nfs/dbraw/zinc/95/47/07/380954707.db2.gz NXZCMCTWDVGQKY-OAHLLOKOSA-N 2 0 340.468 -0.425 20 0 EBADRP CN(CC1(O)CCC1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000563870306 380983452 /nfs/dbraw/zinc/98/34/52/380983452.db2.gz LLOPUQWZZAVDJS-UHFFFAOYSA-N 2 0 328.457 -0.688 20 0 EBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)CCN2C1=O ZINC000578669385 380946182 /nfs/dbraw/zinc/94/61/82/380946182.db2.gz KJEIKTWTUVKVBD-SOUVJXGZSA-N 2 0 335.452 -0.043 20 0 EBADRP CC[NH+](C)C[C@H](O)CN1CCCN(C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC000581080520 381053838 /nfs/dbraw/zinc/05/38/38/381053838.db2.gz UZQWBXDDZCHELS-IRXDYDNUSA-N 2 0 330.517 -0.381 20 0 EBADRP CN(CC1(O)CCCC1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000581176924 381058639 /nfs/dbraw/zinc/05/86/39/381058639.db2.gz CHKQESQILGJUOT-UHFFFAOYSA-N 2 0 342.484 -0.298 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000581355973 381070226 /nfs/dbraw/zinc/07/02/26/381070226.db2.gz NRUNETJNNWTOBS-RRFJBIMHSA-N 2 0 340.468 -0.833 20 0 EBADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCCC[NH3+] ZINC000418351496 381072812 /nfs/dbraw/zinc/07/28/12/381072812.db2.gz LXYHVPUDEROCOO-HNNXBMFYSA-N 2 0 335.452 -0.077 20 0 EBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000418307366 381034536 /nfs/dbraw/zinc/03/45/36/381034536.db2.gz SOVPMSGCOUBGDA-HNNXBMFYSA-N 2 0 327.473 -0.716 20 0 EBADRP CC(C)[C@@H](C[NH2+]C[C@@H](O)CN1CCOCC1)N1CC[NH+](C)CC1 ZINC000583199400 381109136 /nfs/dbraw/zinc/10/91/36/381109136.db2.gz NMVFJRLCMIQLMO-IAGOWNOFSA-N 2 0 328.501 -0.459 20 0 EBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627428742 381118849 /nfs/dbraw/zinc/11/88/49/381118849.db2.gz NDKZKJQOBTVKSO-ZIAGYGMSSA-N 2 0 326.441 -0.672 20 0 EBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)N[C@H]3CC[N@@H+](C4CCCC4)C3)CCN2C1=O ZINC000584541256 381178844 /nfs/dbraw/zinc/17/88/44/381178844.db2.gz ANYDLDLOBUUUEO-AEGPPILISA-N 2 0 335.452 -0.043 20 0 EBADRP O=S(=O)(N1CCOCC1)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000584771334 381208033 /nfs/dbraw/zinc/20/80/33/381208033.db2.gz HCIQUXQMHSKALC-AWEZNQCLSA-N 2 0 332.470 -0.819 20 0 EBADRP COC[C@@]1(CNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CCC[NH2+]1 ZINC000418639134 381253750 /nfs/dbraw/zinc/25/37/50/381253750.db2.gz PIIDEJHAJUDPLB-ZBFHGGJFSA-N 2 0 328.457 -0.099 20 0 EBADRP COCC[NH2+]CCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418505647 381244184 /nfs/dbraw/zinc/24/41/84/381244184.db2.gz FVINQGBJWJRBOJ-LLVKDONJSA-N 2 0 341.378 -0.642 20 0 EBADRP C[NH+](C)C1CCN(c2ccc(NC(=O)CNC(=O)C[NH3+])nc2)CC1 ZINC000347680907 381247183 /nfs/dbraw/zinc/24/71/83/381247183.db2.gz DNHCIPQHEJJXSL-UHFFFAOYSA-N 2 0 334.424 -0.375 20 0 EBADRP C[C@@](O)(CNC(=O)N[C@@H](C[NH3+])C1CCCC1)CN1CCOCC1 ZINC000418587474 381248325 /nfs/dbraw/zinc/24/83/25/381248325.db2.gz GTTURVCQBQIDTI-GOEBONIOSA-N 2 0 328.457 -0.114 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000418841495 381296988 /nfs/dbraw/zinc/29/69/88/381296988.db2.gz GNVSDBJXHJXGHJ-JKSUJKDBSA-N 2 0 346.431 -0.437 20 0 EBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000347968668 381303783 /nfs/dbraw/zinc/30/37/83/381303783.db2.gz OPDYIOLAPGFKRV-KGLIPLIRSA-N 2 0 327.473 -0.805 20 0 EBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000418849355 381304110 /nfs/dbraw/zinc/30/41/10/381304110.db2.gz MQONPBNPNMPMEQ-IXDOHACOSA-N 2 0 344.459 -0.047 20 0 EBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000418851061 381305672 /nfs/dbraw/zinc/30/56/72/381305672.db2.gz OXHFJKSJVZJCOA-CVEARBPZSA-N 2 0 348.447 -0.620 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000627385934 381286059 /nfs/dbraw/zinc/28/60/59/381286059.db2.gz AHTBGMGKZSYYFY-XYPHTWIQSA-N 2 0 338.452 -0.719 20 0 EBADRP C[C@H](C[NH3+])NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418869774 381321130 /nfs/dbraw/zinc/32/11/30/381321130.db2.gz XJMJUQZGMPEUCG-OAHLLOKOSA-N 2 0 347.463 -0.616 20 0 EBADRP COc1cccc([C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[NH+](C)C)c1 ZINC000418870244 381322002 /nfs/dbraw/zinc/32/20/02/381322002.db2.gz YAGKRNIPLYNBGC-UKRRQHHQSA-N 2 0 334.420 -0.108 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)[NH2+]1 ZINC000643478739 381327806 /nfs/dbraw/zinc/32/78/06/381327806.db2.gz AMKPIPFMSAFKRQ-KBPBESRZSA-N 2 0 331.420 -0.061 20 0 EBADRP O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000643478886 381329117 /nfs/dbraw/zinc/32/91/17/381329117.db2.gz MBBDREOKLQICHT-GDBMZVCRSA-N 2 0 343.431 -0.059 20 0 EBADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N(CC[NH3+])CCO ZINC000418881065 381330549 /nfs/dbraw/zinc/33/05/49/381330549.db2.gz WRIIYXXXUPQASB-HNNXBMFYSA-N 2 0 336.436 -0.945 20 0 EBADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418882518 381330942 /nfs/dbraw/zinc/33/09/42/381330942.db2.gz ZBPFNOKIKKGDRQ-CVEARBPZSA-N 2 0 348.447 -0.620 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CCCO1 ZINC000418883882 381331285 /nfs/dbraw/zinc/33/12/85/381331285.db2.gz VTOYAWRYFVWOIT-HUUCEWRRSA-N 2 0 340.468 -0.138 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)C1 ZINC000418926496 381342308 /nfs/dbraw/zinc/34/23/08/381342308.db2.gz RKDZNDCMMYHTQY-SOUVJXGZSA-N 2 0 340.468 -0.345 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000418921504 381342428 /nfs/dbraw/zinc/34/24/28/381342428.db2.gz LWJWTAVZQAWOIQ-UONOGXRCSA-N 2 0 326.441 -0.672 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000418921505 381340643 /nfs/dbraw/zinc/34/06/43/381340643.db2.gz LWJWTAVZQAWOIQ-ZIAGYGMSSA-N 2 0 326.441 -0.672 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000418927717 381340776 /nfs/dbraw/zinc/34/07/76/381340776.db2.gz SXFGJAHRXQHPFY-LSDHHAIUSA-N 2 0 340.468 -0.282 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000418923846 381341570 /nfs/dbraw/zinc/34/15/70/381341570.db2.gz OMHKHXVIXAMRBE-RHSMWYFYSA-N 2 0 340.468 -0.343 20 0 EBADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)[C@@H]1c1ccccc1 ZINC000418912949 381346319 /nfs/dbraw/zinc/34/63/19/381346319.db2.gz SAKWBBOKCDMKPP-PMPSAXMXSA-N 2 0 346.431 -0.347 20 0 EBADRP C[C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[N@H+](C)Cc1ccccc1 ZINC000418954445 381349306 /nfs/dbraw/zinc/34/93/06/381349306.db2.gz WKMYUHRGPXYJII-CQSZACIVSA-N 2 0 336.436 -0.597 20 0 EBADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CC[NH2+]CC2)ccn1 ZINC000418957574 381349979 /nfs/dbraw/zinc/34/99/79/381349979.db2.gz VGDPMINDZTXEDA-UHFFFAOYSA-N 2 0 335.408 -0.930 20 0 EBADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419033196 381357767 /nfs/dbraw/zinc/35/77/67/381357767.db2.gz YDUPBFFKSNGUMO-HZSPNIEDSA-N 2 0 328.457 -0.751 20 0 EBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419080054 381363087 /nfs/dbraw/zinc/36/30/87/381363087.db2.gz OIMNVPXGTJGXBZ-KGLIPLIRSA-N 2 0 326.441 -0.528 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000419045745 381363768 /nfs/dbraw/zinc/36/37/68/381363768.db2.gz OBPROGFBULSKFH-UONOGXRCSA-N 2 0 339.484 -0.757 20 0 EBADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000419048316 381364006 /nfs/dbraw/zinc/36/40/06/381364006.db2.gz ZZJUDQFJHFNDMW-CQSZACIVSA-N 2 0 340.468 -0.188 20 0 EBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000419289505 381412076 /nfs/dbraw/zinc/41/20/76/381412076.db2.gz TZNCLAINCMIPFZ-ZIAGYGMSSA-N 2 0 328.457 -0.201 20 0 EBADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419122526 381382694 /nfs/dbraw/zinc/38/26/94/381382694.db2.gz NPRBKXVAFSGKKP-LSDHHAIUSA-N 2 0 340.468 -0.138 20 0 EBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000419131030 381388282 /nfs/dbraw/zinc/38/82/82/381388282.db2.gz BWWRWODMHJJDQT-ZDUSSCGKSA-N 2 0 336.436 -0.046 20 0 EBADRP [NH3+]CCNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419172748 381393123 /nfs/dbraw/zinc/39/31/23/381393123.db2.gz ZXFFAGHCXYRXNU-OAHLLOKOSA-N 2 0 334.420 -0.531 20 0 EBADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)NCC[NH3+])cc2)C[C@@H](C)O1 ZINC000419196009 381397834 /nfs/dbraw/zinc/39/78/34/381397834.db2.gz AEXXOXXLDJFKKM-ZIAGYGMSSA-N 2 0 348.447 -0.013 20 0 EBADRP [NH3+]CCN(CCO)C(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000419199724 381399811 /nfs/dbraw/zinc/39/98/11/381399811.db2.gz DOFUJTPBXMTHGZ-MRXNPFEDSA-N 2 0 348.447 -0.453 20 0 EBADRP C[NH+]1CCN(c2ncccc2CNC(=O)CCOC2C[NH2+]C2)CC1 ZINC000348992047 381427807 /nfs/dbraw/zinc/42/78/07/381427807.db2.gz HFDXQWLXPBYUSD-UHFFFAOYSA-N 2 0 333.436 -0.172 20 0 EBADRP CC1CC[NH+](CCNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000419402597 381428618 /nfs/dbraw/zinc/42/86/18/381428618.db2.gz CITBEXFSTMGCGF-AWEZNQCLSA-N 2 0 326.441 -0.589 20 0 EBADRP CO[C@H]1CCN(C(=O)C(=O)NCC[NH+]2CCC(C)CC2)[C@@H](C[NH3+])C1 ZINC000419408881 381429243 /nfs/dbraw/zinc/42/92/43/381429243.db2.gz MIDMNMNPVKPPSA-CABCVRRESA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH2+]CCNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419413992 381431426 /nfs/dbraw/zinc/43/14/26/381431426.db2.gz GLBMRNMACYZEGO-UHFFFAOYSA-N 2 0 347.463 -0.350 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)Cc2ccccc2C1 ZINC000419383322 381433832 /nfs/dbraw/zinc/43/38/32/381433832.db2.gz ZXQVDRVPIQTCQT-OAHLLOKOSA-N 2 0 330.432 -0.239 20 0 EBADRP C[C@H](C[NH3+])CNC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000419380836 381434420 /nfs/dbraw/zinc/43/44/20/381434420.db2.gz XSCAULWGNWDEKT-CYBMUJFWSA-N 2 0 332.448 -0.087 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000419444650 381439084 /nfs/dbraw/zinc/43/90/84/381439084.db2.gz DFGCMBKQWKERFK-KBPBESRZSA-N 2 0 328.457 -0.295 20 0 EBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000419501158 381441119 /nfs/dbraw/zinc/44/11/19/381441119.db2.gz AUKUSJSFCVYGIZ-IHRRRGAJSA-N 2 0 328.457 -0.202 20 0 EBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+](C)CCCOC ZINC000419452338 381441392 /nfs/dbraw/zinc/44/13/92/381441392.db2.gz OXGSRYFDBDCQHP-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000419529039 381448197 /nfs/dbraw/zinc/44/81/97/381448197.db2.gz CRXSAXLANYDQBT-CQSZACIVSA-N 2 0 340.468 -0.281 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000419529538 381448845 /nfs/dbraw/zinc/44/88/45/381448845.db2.gz CWCPDEJMGSRULT-RHSMWYFYSA-N 2 0 340.468 -0.281 20 0 EBADRP C[C@H]1C[C@H](NC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)C[N@@H+]1C1CC1 ZINC000419321824 381417670 /nfs/dbraw/zinc/41/76/70/381417670.db2.gz ROYIJRHPTJWWJD-ZJQBRPOHSA-N 2 0 338.452 -0.043 20 0 EBADRP C[C@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)C[N@@H+]1C1CC1 ZINC000419321821 381417926 /nfs/dbraw/zinc/41/79/26/381417926.db2.gz ROYIJRHPTJWWJD-CIQGVGRVSA-N 2 0 338.452 -0.043 20 0 EBADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419696963 381473190 /nfs/dbraw/zinc/47/31/90/381473190.db2.gz WCRALVJLQIPPBD-ZDUSSCGKSA-N 2 0 340.493 -0.058 20 0 EBADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(CC[NH3+])CCO ZINC000419688864 381473515 /nfs/dbraw/zinc/47/35/15/381473515.db2.gz BHBLXDAHOIXOCM-CQSZACIVSA-N 2 0 328.457 -0.607 20 0 EBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000419702156 381473667 /nfs/dbraw/zinc/47/36/67/381473667.db2.gz AVGPIEBEHLULJQ-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000419702383 381474867 /nfs/dbraw/zinc/47/48/67/381474867.db2.gz BJJBNNWUDFYOGL-RDBSUJKOSA-N 2 0 326.441 -0.543 20 0 EBADRP C[C@@H](CCNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[NH+]1CCCCC1 ZINC000419715476 381478887 /nfs/dbraw/zinc/47/88/87/381478887.db2.gz PEZBOVKEHTZYLW-UONOGXRCSA-N 2 0 326.441 -0.447 20 0 EBADRP C[C@@H](CCNC(=O)C(=O)NCCN1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000419719025 381478961 /nfs/dbraw/zinc/47/89/61/381478961.db2.gz WZNQVAJDDCDNCV-HNNXBMFYSA-N 2 0 339.484 -0.612 20 0 EBADRP C[C@@H](CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)[NH+]1CCCCC1 ZINC000419719824 381479290 /nfs/dbraw/zinc/47/92/90/381479290.db2.gz XUXMWTJKIQUQMQ-UONOGXRCSA-N 2 0 326.441 -0.528 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000419678494 381480596 /nfs/dbraw/zinc/48/05/96/381480596.db2.gz OFDFKHXVNFQUKG-UONOGXRCSA-N 2 0 328.457 -0.343 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)C1 ZINC000419725732 381480657 /nfs/dbraw/zinc/48/06/57/381480657.db2.gz JAHRXYPBIKELPP-AVGNSLFASA-N 2 0 342.440 -0.948 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000419679956 381480807 /nfs/dbraw/zinc/48/08/07/381480807.db2.gz QICHPUDBNIPCOJ-ZNMIVQPWSA-N 2 0 340.468 -0.343 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])C1 ZINC000419738989 381483325 /nfs/dbraw/zinc/48/33/25/381483325.db2.gz ZOMAMVAGJNRKQD-MELADBBJSA-N 2 0 326.441 -0.448 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000419548265 381453787 /nfs/dbraw/zinc/45/37/87/381453787.db2.gz SRGXJLPKJAKNSL-RRFJBIMHSA-N 2 0 340.468 -0.153 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)[C@H](C)C[NH2+]1 ZINC000419585384 381459768 /nfs/dbraw/zinc/45/97/68/381459768.db2.gz NEERCOPJTCMNAR-LALPHHSUSA-N 2 0 328.482 -0.251 20 0 EBADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000419593228 381461526 /nfs/dbraw/zinc/46/15/26/381461526.db2.gz XOIGYFLIUGRHAP-HNNXBMFYSA-N 2 0 330.498 -0.017 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000419670095 381468405 /nfs/dbraw/zinc/46/84/05/381468405.db2.gz CILKYAPPSQRKDV-ZIAGYGMSSA-N 2 0 328.457 -0.343 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CCCCC1 ZINC000419824779 381514887 /nfs/dbraw/zinc/51/48/87/381514887.db2.gz QTBGAWRSMHHEHI-AWEZNQCLSA-N 2 0 340.468 -0.138 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000419779695 381491392 /nfs/dbraw/zinc/49/13/92/381491392.db2.gz PPCZYLUPABYBQX-IHRRRGAJSA-N 2 0 326.441 -0.733 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419800169 381495209 /nfs/dbraw/zinc/49/52/09/381495209.db2.gz HCCMYRVMMVJTAW-UHFFFAOYSA-N 2 0 328.457 -0.199 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420092991 381538811 /nfs/dbraw/zinc/53/88/11/381538811.db2.gz PALLSGLHBKJEPD-ZDUSSCGKSA-N 2 0 326.441 -0.447 20 0 EBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000419975860 381523247 /nfs/dbraw/zinc/52/32/47/381523247.db2.gz LGWPLLMYVJRKDX-CYBMUJFWSA-N 2 0 349.435 -0.290 20 0 EBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000419987850 381526303 /nfs/dbraw/zinc/52/63/03/381526303.db2.gz YXEAIEWKGRGGNZ-IHRRRGAJSA-N 2 0 328.457 -0.426 20 0 EBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000419999506 381527455 /nfs/dbraw/zinc/52/74/55/381527455.db2.gz SCABVWPUMJICKI-GJZGRUSLSA-N 2 0 339.484 -0.532 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420078428 381536741 /nfs/dbraw/zinc/53/67/41/381536741.db2.gz ZMTMVRWKLFLQLC-AWEZNQCLSA-N 2 0 328.457 -0.343 20 0 EBADRP COC(=O)CN(C)C(=O)CC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000420318404 381579238 /nfs/dbraw/zinc/57/92/38/381579238.db2.gz WAHXZKMJEYMCOS-ZDUSSCGKSA-N 2 0 342.440 -0.673 20 0 EBADRP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420347734 381579860 /nfs/dbraw/zinc/57/98/60/381579860.db2.gz HXZNKCQBFDYRPU-KGLIPLIRSA-N 2 0 325.457 -0.164 20 0 EBADRP CN(CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C[C@H](O)C[NH3+] ZINC000420355482 381582098 /nfs/dbraw/zinc/58/20/98/381582098.db2.gz PQSOOKMXUHMASM-OAHLLOKOSA-N 2 0 342.484 -0.611 20 0 EBADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420190028 381564816 /nfs/dbraw/zinc/56/48/16/381564816.db2.gz FNCXTBCIPJUXHG-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000420190981 381566108 /nfs/dbraw/zinc/56/61/08/381566108.db2.gz WCLLQWBJBSCMFF-CQSZACIVSA-N 2 0 326.441 -0.575 20 0 EBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420202054 381569026 /nfs/dbraw/zinc/56/90/26/381569026.db2.gz PBDXXWJRWJYOGL-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000420210537 381570682 /nfs/dbraw/zinc/57/06/82/381570682.db2.gz HFLVMWOSRLQOOR-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP COCCC[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000351477824 381626641 /nfs/dbraw/zinc/62/66/41/381626641.db2.gz VJXDVDJNLNOEGB-CQSZACIVSA-N 2 0 347.481 -0.666 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351527356 381636688 /nfs/dbraw/zinc/63/66/88/381636688.db2.gz ZUOAPUJCXJFLOO-HUUCEWRRSA-N 2 0 339.484 -0.756 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351527355 381637658 /nfs/dbraw/zinc/63/76/58/381637658.db2.gz ZUOAPUJCXJFLOO-GJZGRUSLSA-N 2 0 339.484 -0.756 20 0 EBADRP NC(=O)COc1ccc(CNC(=O)CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000351495685 381630179 /nfs/dbraw/zinc/63/01/79/381630179.db2.gz PVTQEQCQRAETAN-BPUTZDHNSA-N 2 0 346.431 -0.164 20 0 EBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000571985858 381631803 /nfs/dbraw/zinc/63/18/03/381631803.db2.gz DPXMBINMFSEZNS-KGLIPLIRSA-N 2 0 325.457 -0.922 20 0 EBADRP CN(C)CC[NH+]1CCC(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351561537 381644066 /nfs/dbraw/zinc/64/40/66/381644066.db2.gz YXRSACXPQPWKTL-HNNXBMFYSA-N 2 0 339.484 -0.756 20 0 EBADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)COC1CC[NH2+]CC1 ZINC000584350186 381664991 /nfs/dbraw/zinc/66/49/91/381664991.db2.gz WBNZAZJEORZYPZ-CYBMUJFWSA-N 2 0 326.441 -0.399 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000331642097 381718741 /nfs/dbraw/zinc/71/87/41/381718741.db2.gz NGGYJJUXQFFETP-IGQOVBAYSA-N 2 0 338.452 -0.089 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612995918 381883904 /nfs/dbraw/zinc/88/39/04/381883904.db2.gz MYCMHFFWUJNVLD-CYBMUJFWSA-N 2 0 325.457 -0.210 20 0 EBADRP CCNC(=O)N1CC[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000120525500 381860429 /nfs/dbraw/zinc/86/04/29/381860429.db2.gz URKUBEYVLKKHCK-CQSZACIVSA-N 2 0 342.488 -0.075 20 0 EBADRP CN(C[C@H](O)CN1CCOCC1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000333198611 381897246 /nfs/dbraw/zinc/89/72/46/381897246.db2.gz YAXOPGIAJWKDGB-HRCADAONSA-N 2 0 340.468 -0.052 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)cn1 ZINC000626851188 381902929 /nfs/dbraw/zinc/90/29/29/381902929.db2.gz MVNLPGBEEIYFOU-CYBMUJFWSA-N 2 0 334.424 -0.216 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CCO1 ZINC000643500656 381908355 /nfs/dbraw/zinc/90/83/55/381908355.db2.gz SBJRCLFVOGKOEO-UONOGXRCSA-N 2 0 340.468 -0.106 20 0 EBADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000626899861 381926359 /nfs/dbraw/zinc/92/63/59/381926359.db2.gz ONNXRNXPKXQDDN-CQSZACIVSA-N 2 0 334.420 -0.083 20 0 EBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000626899818 381927171 /nfs/dbraw/zinc/92/71/71/381927171.db2.gz LRFKUPOQQMQMNK-OAHLLOKOSA-N 2 0 332.404 -0.546 20 0 EBADRP CC(C)[C@@H](CNC(=O)NCCOCCC[NH3+])[NH+]1CCN(C)CC1 ZINC000626929450 381956943 /nfs/dbraw/zinc/95/69/43/381956943.db2.gz NDOIMPAZDJCCDJ-OAHLLOKOSA-N 2 0 329.489 -0.077 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CCO1 ZINC000643510625 381961396 /nfs/dbraw/zinc/96/13/96/381961396.db2.gz CXFOUYQJWOPTSL-ZNMIVQPWSA-N 2 0 338.452 -0.352 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643511179 381962189 /nfs/dbraw/zinc/96/21/89/381962189.db2.gz KMHHAHSYZFCGOH-ZIAGYGMSSA-N 2 0 326.441 -0.767 20 0 EBADRP CC[NH+](CC)CCS(=O)(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000352263769 381950337 /nfs/dbraw/zinc/95/03/37/381950337.db2.gz FCRCIPHANXZBNS-UHFFFAOYSA-N 2 0 348.513 -0.200 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC[C@H](O)C[NH+]1CCCC1 ZINC000629558993 382223100 /nfs/dbraw/zinc/22/31/00/382223100.db2.gz ORJSRHPCPRZAJX-JKSUJKDBSA-N 2 0 326.485 -0.025 20 0 EBADRP CN(C)C(=O)CC[NH+]1CCC(NC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629561503 382223193 /nfs/dbraw/zinc/22/31/93/382223193.db2.gz IDSOZRJIVALRDS-INIZCTEOSA-N 2 0 326.485 -0.025 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)CC ZINC000340135393 285276812 /nfs/dbraw/zinc/27/68/12/285276812.db2.gz RLOOFKMJVJGQLB-AWEZNQCLSA-N 2 0 348.513 -0.200 20 0 EBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC(=O)N1 ZINC000299617561 155163475 /nfs/dbraw/zinc/16/34/75/155163475.db2.gz YZBLTGCJQRLWSB-HNNXBMFYSA-N 2 0 331.420 -0.012 20 0 EBADRP CCN1CCOC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000329367186 155221931 /nfs/dbraw/zinc/22/19/31/155221931.db2.gz ITUBOGBQWXGAEL-GJZGRUSLSA-N 2 0 338.452 -0.528 20 0 EBADRP C[C@@H]1C[N@@H+](C[C@H](O)CN2CC[NH+](CC(C)(C)O)CC2)C[C@H](C)O1 ZINC000106385797 154090111 /nfs/dbraw/zinc/09/01/11/154090111.db2.gz DKIQEMUSCXOXRH-OWCLPIDISA-N 2 0 329.485 -0.155 20 0 EBADRP O=S(=O)(N1CCOCC1)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178958333 154123232 /nfs/dbraw/zinc/12/32/32/154123232.db2.gz VNJHUDXKVJRJKU-UHFFFAOYSA-N 2 0 332.470 -0.819 20 0 EBADRP COCC[N@H+](C)CCNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000185679284 154140420 /nfs/dbraw/zinc/14/04/20/154140420.db2.gz XMSJCRHFVHIUDR-HNNXBMFYSA-N 2 0 329.489 -0.110 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1=O ZINC000249105265 154192087 /nfs/dbraw/zinc/19/20/87/154192087.db2.gz PDWPMKRICAYGMR-CAOSSQGBSA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(NC[C@H]1CCC[N@H+](CCN2C(=O)CCC2=O)C1)[C@H]1CCC[NH2+]1 ZINC000261718821 154198500 /nfs/dbraw/zinc/19/85/00/154198500.db2.gz QKWRCWLMWUTFSK-ZIAGYGMSSA-N 2 0 336.436 -0.284 20 0 EBADRP Cc1ccc([C@H](CNC(=O)CNC(=O)C[NH3+])N2CCOCC2)cc1 ZINC000262457595 154231467 /nfs/dbraw/zinc/23/14/67/154231467.db2.gz WZNMBEBEIAFCLM-HNNXBMFYSA-N 2 0 334.420 -0.441 20 0 EBADRP CC[NH+]1CCN([C@H](C)CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000262945609 154251423 /nfs/dbraw/zinc/25/14/23/154251423.db2.gz ASCAVTRQZNZYOP-HIFRSBDPSA-N 2 0 327.473 -0.772 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000343016546 156085843 /nfs/dbraw/zinc/08/58/43/156085843.db2.gz URRFFXXVOSIHFO-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCC[NH+](C)[C@@H]2C)C1 ZINC000343883657 156178376 /nfs/dbraw/zinc/17/83/76/156178376.db2.gz FVJLRTCQIZFDQK-RDBSUJKOSA-N 2 0 326.441 -0.578 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000343892891 156181405 /nfs/dbraw/zinc/18/14/05/156181405.db2.gz PXXSRGXNUYOQHY-KBPBESRZSA-N 2 0 342.484 -0.084 20 0 EBADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCC1CC[NH+](CCO)CC1 ZINC000344610559 156245988 /nfs/dbraw/zinc/24/59/88/156245988.db2.gz ARQKDDKUVXYUBE-UHFFFAOYSA-N 2 0 342.484 -0.395 20 0 EBADRP C[C@H](C[NH+](C)C)NC(=O)[C@H]1CC[C@@H](C(=O)N[C@H](C)C[NH+](C)C)O1 ZINC000346229222 156391979 /nfs/dbraw/zinc/39/19/79/156391979.db2.gz RUIMGVCGOHATGB-SYQHCUMBSA-N 2 0 328.457 -0.333 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CCSC1 ZINC000354684189 156935045 /nfs/dbraw/zinc/93/50/45/156935045.db2.gz XOILUWGLBJXKAE-IUODEOHRSA-N 2 0 328.482 -0.202 20 0 EBADRP COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000356958578 157107842 /nfs/dbraw/zinc/10/78/42/157107842.db2.gz MVCGLNKEZAPBJR-LBPRGKRZSA-N 2 0 342.440 -0.946 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000357038500 157114816 /nfs/dbraw/zinc/11/48/16/157114816.db2.gz MXQVYUQHYMUDNG-GOOCMWNKSA-N 2 0 340.468 -0.188 20 0 EBADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CC[C@@H]3C[NH2+]C[C@H]3C1)c(=O)n2C ZINC000357093874 157118559 /nfs/dbraw/zinc/11/85/59/157118559.db2.gz ZDWJQHVKXPDIES-OLZOCXBDSA-N 2 0 346.435 -0.635 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000357572135 157155338 /nfs/dbraw/zinc/15/53/38/157155338.db2.gz FYDZYMRBIKUHAF-HNNXBMFYSA-N 2 0 342.484 -0.129 20 0 EBADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000358100672 157210748 /nfs/dbraw/zinc/21/07/48/157210748.db2.gz SKYBILBIWDKVLQ-AWEZNQCLSA-N 2 0 327.473 -0.804 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCO[C@H](C[NH3+])C2)C1 ZINC000358140019 157214215 /nfs/dbraw/zinc/21/42/15/157214215.db2.gz TYXISTNRTJSKTF-HUUCEWRRSA-N 2 0 328.457 -0.881 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000358556122 157259596 /nfs/dbraw/zinc/25/95/96/157259596.db2.gz FWQWDWWEGUWPBF-AWEZNQCLSA-N 2 0 328.457 -0.519 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@]2(O)CC[NH+](C)C2)C[C@H](C)O1 ZINC000358686066 157271533 /nfs/dbraw/zinc/27/15/33/157271533.db2.gz TYUUBPYLLONUMD-IJEWVQPXSA-N 2 0 328.457 -0.149 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000358694553 157271682 /nfs/dbraw/zinc/27/16/82/157271682.db2.gz SQELZKKGCXREKV-QGZVFWFLSA-N 2 0 341.500 -0.230 20 0 EBADRP NS(=O)(=O)c1cccc(NC(=O)CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000359269891 157306898 /nfs/dbraw/zinc/30/68/98/157306898.db2.gz DNJCXMFROHNMSB-VXGBXAGGSA-N 2 0 338.433 -0.186 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)NCCN1CCOC(C)(C)C1)C1CC1 ZINC000359269564 157307054 /nfs/dbraw/zinc/30/70/54/157307054.db2.gz YTHZFFWLMCLGRG-UHFFFAOYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCCOCC[NH+](C)C)CC[N@@H+]1C ZINC000360278430 157372550 /nfs/dbraw/zinc/37/25/50/157372550.db2.gz JRPNRNUODXFXTM-KGLIPLIRSA-N 2 0 328.457 -0.378 20 0 EBADRP [NH2+]=C(NCCCN1CCOCC1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000360570975 157385937 /nfs/dbraw/zinc/38/59/37/157385937.db2.gz BWHKZVOEUSRSMY-HUUCEWRRSA-N 2 0 325.457 -0.314 20 0 EBADRP CCOC(CNC(=O)[C@H]1CCC[NH+]1C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000360592010 157387647 /nfs/dbraw/zinc/38/76/47/157387647.db2.gz VAWKDQDQEHMMMZ-HUUCEWRRSA-N 2 0 340.468 -0.188 20 0 EBADRP CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])N1CC[NH+](C)CC1 ZINC000517741582 418942625 /nfs/dbraw/zinc/94/26/25/418942625.db2.gz BSSBHASRSWRVIY-KKUMJFAQSA-N 2 0 341.500 -0.383 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CCSC1 ZINC000419583467 419017780 /nfs/dbraw/zinc/01/77/80/419017780.db2.gz LDZDOEAHIJTUQI-HUBLWGQQSA-N 2 0 328.482 -0.074 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653116931 418989784 /nfs/dbraw/zinc/98/97/84/418989784.db2.gz YSOCIEXHVQCTID-YOEHRIQHSA-N 2 0 338.452 -0.765 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CCO1 ZINC000642800841 419011593 /nfs/dbraw/zinc/01/15/93/419011593.db2.gz XODPMGMRRDMVBM-CFVMTHIKSA-N 2 0 338.452 -0.306 20 0 EBADRP C[C@@H](CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[N@H+](C)C1CC1 ZINC000650847169 419082362 /nfs/dbraw/zinc/08/23/62/419082362.db2.gz NWGDTGPXHDXJOM-ZDUSSCGKSA-N 2 0 325.457 -0.116 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCN(c3ncccc3F)C2)CC1 ZINC000518757526 419105735 /nfs/dbraw/zinc/10/57/35/419105735.db2.gz DOQVFLTVZHPZQH-HUUCEWRRSA-N 2 0 337.443 -0.003 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCN2CCCCCC2=O)CC1 ZINC000644513665 419168045 /nfs/dbraw/zinc/16/80/45/419168045.db2.gz JYNQKVOQYXQBKW-INIZCTEOSA-N 2 0 326.485 -0.023 20 0 EBADRP CN1CCN(C(=O)CC[NH2+]C[C@@H](O)COCc2ccco2)CC1 ZINC000644563318 419169959 /nfs/dbraw/zinc/16/99/59/419169959.db2.gz DZASTIHDJLPZRK-CQSZACIVSA-N 2 0 325.409 -0.089 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000651221775 419181634 /nfs/dbraw/zinc/18/16/34/419181634.db2.gz BLNBSXIMOAIMFN-KBPBESRZSA-N 2 0 346.497 -0.447 20 0 EBADRP CC[NH+]1CCN(CCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000516649635 419244772 /nfs/dbraw/zinc/24/47/72/419244772.db2.gz XSKAGQUTDFCYTE-CQSZACIVSA-N 2 0 335.456 -0.603 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000531857147 419274299 /nfs/dbraw/zinc/27/42/99/419274299.db2.gz YFSQIXAJXTUGFC-QWHCGFSZSA-N 2 0 329.445 -0.846 20 0 EBADRP COC(=O)[C@H]1CN(C)CC[N@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000411920913 419296661 /nfs/dbraw/zinc/29/66/61/419296661.db2.gz RSRQSTQBHBLBMG-AWEZNQCLSA-N 2 0 326.441 -0.813 20 0 EBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000645220925 419300263 /nfs/dbraw/zinc/30/02/63/419300263.db2.gz BPIDRQUVZUXSHK-HNNXBMFYSA-N 2 0 331.420 -0.012 20 0 EBADRP CO[C@@H]1COC[C@H]1NC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000645233697 419300991 /nfs/dbraw/zinc/30/09/91/419300991.db2.gz HUOOHZBHJCTTBI-BPLDGKMQSA-N 2 0 326.441 -0.132 20 0 EBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000652705480 419301416 /nfs/dbraw/zinc/30/14/16/419301416.db2.gz IRRDDZFVFSSQAZ-ZIAGYGMSSA-N 2 0 328.457 -0.345 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCCC2(C[NH3+])CC2)C[C@@H](C)O1 ZINC000652713806 419305271 /nfs/dbraw/zinc/30/52/71/419305271.db2.gz XWKWKKYREARNBX-ZIAGYGMSSA-N 2 0 340.468 -0.153 20 0 EBADRP CC[NH+]1CCN(CCC(=O)N[C@H](CO)C[NH+]2CCCCC2)CC1 ZINC000413814265 419310344 /nfs/dbraw/zinc/31/03/44/419310344.db2.gz IQEWYHDWSZHTIH-INIZCTEOSA-N 2 0 326.485 -0.023 20 0 EBADRP CC[C@@H]1C[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC[C@@H]1[NH3+] ZINC000647936933 419327712 /nfs/dbraw/zinc/32/77/12/419327712.db2.gz NQPRRUWTZUHTRL-NEPJUHHUSA-N 2 0 334.424 -0.507 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)C[C@H]1C[NH3+] ZINC000652730616 419328941 /nfs/dbraw/zinc/32/89/41/419328941.db2.gz JJBQOVFRVFRIPG-APIJFGDWSA-N 2 0 338.452 -0.639 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652723885 419319556 /nfs/dbraw/zinc/31/95/56/419319556.db2.gz OJDYVBOUJPLFEJ-UHFFFAOYSA-N 2 0 328.457 -0.471 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340484132 419360038 /nfs/dbraw/zinc/36/00/38/419360038.db2.gz NAWRGMOMYWIKIW-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CN(C)C(=O)CN1CCC(NC(=O)[C@@H]2CCNCC2(F)F)CC1 ZINC000342699854 419398626 /nfs/dbraw/zinc/39/86/26/419398626.db2.gz WBJJZZMSFFVDOK-LBPRGKRZSA-N 2 0 332.395 -0.100 20 0 EBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000342767026 419398844 /nfs/dbraw/zinc/39/88/44/419398844.db2.gz ZUUMBJCZLVDQDO-OLZOCXBDSA-N 2 0 342.440 -0.674 20 0 EBADRP CC(C)[N@H+](C)C[C@@H](O)CN1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000647966631 419403449 /nfs/dbraw/zinc/40/34/49/419403449.db2.gz ATKNHQOSGMXUMX-HZPDHXFCSA-N 2 0 326.485 -0.074 20 0 EBADRP C[C@H]1COCCN1CCNC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415958435 419419003 /nfs/dbraw/zinc/41/90/03/419419003.db2.gz XBVMCSJDQZSFJO-ZDUSSCGKSA-N 2 0 349.439 -0.272 20 0 EBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)CCn3cnccc3=O)C2)CC1 ZINC000645407739 419458506 /nfs/dbraw/zinc/45/85/06/419458506.db2.gz XSCDLQUHSAEJOB-AWEZNQCLSA-N 2 0 333.436 -0.082 20 0 EBADRP C[C@@H](NC(=O)C(=O)N(C)CC[NH+]1CCCCC1)[C@@H]1CN(C)CCO1 ZINC000653427923 419554476 /nfs/dbraw/zinc/55/44/76/419554476.db2.gz VOTPSRNJJDGVPQ-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)C(=O)NCC[NH+](C)C ZINC000520626659 419566859 /nfs/dbraw/zinc/56/68/59/419566859.db2.gz FPDLRUHRNPWAKY-DZGCQCFKSA-N 2 0 340.468 -0.188 20 0 EBADRP CC1(OCC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C[NH2+]C1 ZINC000648105585 419641872 /nfs/dbraw/zinc/64/18/72/419641872.db2.gz LLGIHRFRHHMMCE-KGLIPLIRSA-N 2 0 338.452 -0.528 20 0 EBADRP [NH3+][C@@H](CNC(=O)[C@]1(CC(=O)NC[C@@H]([NH3+])C2CC2)CC[NH2+]C1)C1CC1 ZINC000378314857 419747612 /nfs/dbraw/zinc/74/76/12/419747612.db2.gz LNGLPVNEELVDEZ-KEYYUXOJSA-N 3 0 337.468 -0.937 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000659716115 419786705 /nfs/dbraw/zinc/78/67/05/419786705.db2.gz VVXOPVVWFFZCIL-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP COCCOCCN1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000652998877 419776489 /nfs/dbraw/zinc/77/64/89/419776489.db2.gz CCHWUPXRKLHKNH-MRXNPFEDSA-N 2 0 343.468 -0.238 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000419955249 419828104 /nfs/dbraw/zinc/82/81/04/419828104.db2.gz MWVNONORSUGDIQ-GFCCVEGCSA-N 2 0 335.408 -0.550 20 0 EBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000420008633 419828747 /nfs/dbraw/zinc/82/87/47/419828747.db2.gz DKJPBZIZRVHEES-KGLIPLIRSA-N 2 0 328.457 -0.345 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419949028 419829521 /nfs/dbraw/zinc/82/95/21/419829521.db2.gz KSMNYAOTTMYVJJ-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[NH3+])CCN1C1CC[NH+](C)CC1 ZINC000420050528 419836403 /nfs/dbraw/zinc/83/64/03/419836403.db2.gz FIMFQAQWIABQJT-CYBMUJFWSA-N 2 0 339.484 -0.533 20 0 EBADRP C[C@@H]1CC[C@H](C(N)=O)C[NH+]1C[C@@H](O)C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000245912615 419842810 /nfs/dbraw/zinc/84/28/10/419842810.db2.gz FYQKXTPEBJJCHD-AICCOOGYSA-N 2 0 340.468 -0.481 20 0 EBADRP CNC(=O)[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000420975595 419854880 /nfs/dbraw/zinc/85/48/80/419854880.db2.gz OKDRKRDQBPYDPA-LSDHHAIUSA-N 2 0 340.468 -0.473 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000422295797 419880484 /nfs/dbraw/zinc/88/04/84/419880484.db2.gz OAGMWVLONFSYOD-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000423266835 419929591 /nfs/dbraw/zinc/92/95/91/419929591.db2.gz SIGNFZURHMEHCC-AWEZNQCLSA-N 2 0 328.457 -0.390 20 0 EBADRP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000423263531 419930067 /nfs/dbraw/zinc/93/00/67/419930067.db2.gz ORRSDCLQBVUFJA-LSDHHAIUSA-N 2 0 342.484 -0.001 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423214372 419926936 /nfs/dbraw/zinc/92/69/36/419926936.db2.gz OVFAWEKHGRCQON-KBPBESRZSA-N 2 0 326.441 -0.495 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000423262415 419926992 /nfs/dbraw/zinc/92/69/92/419926992.db2.gz MLGCPDKGFHQYQK-KBPBESRZSA-N 2 0 328.457 -0.534 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000423262227 419927033 /nfs/dbraw/zinc/92/70/33/419927033.db2.gz MBDOEAGDCBLNPS-KBPBESRZSA-N 2 0 328.457 -0.391 20 0 EBADRP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)C1 ZINC000423257502 419927202 /nfs/dbraw/zinc/92/72/02/419927202.db2.gz JSYQVJKPYDSQCL-ZDUSSCGKSA-N 2 0 347.419 -0.441 20 0 EBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)CC[C@@H]21 ZINC000514930622 419974922 /nfs/dbraw/zinc/97/49/22/419974922.db2.gz PRKIPLBVYQALJV-JJXSEGSLSA-N 2 0 334.464 -0.003 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000516965680 420510635 /nfs/dbraw/zinc/51/06/35/420510635.db2.gz HUVUIESNFIHWAX-OWCLPIDISA-N 2 0 326.485 -0.169 20 0 EBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000516492536 420512774 /nfs/dbraw/zinc/51/27/74/420512774.db2.gz MROWEUNYAWYLLY-GJZGRUSLSA-N 2 0 340.468 -0.282 20 0 EBADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000659312026 420525403 /nfs/dbraw/zinc/52/54/03/420525403.db2.gz USRZGICAYQLMRV-WDEREUQCSA-N 2 0 326.363 -0.309 20 0 EBADRP [NH3+]CCCn1cc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)nn1 ZINC000645929162 420526255 /nfs/dbraw/zinc/52/62/55/420526255.db2.gz XOWWBLXIVTYUAD-UHFFFAOYSA-N 2 0 349.439 -0.993 20 0 EBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000646002949 420532392 /nfs/dbraw/zinc/53/23/92/420532392.db2.gz KXTZDQZWRYJFFJ-GJZGRUSLSA-N 2 0 337.468 -0.907 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C[NH2+]1 ZINC000415573101 420602949 /nfs/dbraw/zinc/60/29/49/420602949.db2.gz VFVXZHZFGMPELR-VXGBXAGGSA-N 2 0 328.376 0.415 20 0 EBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529345210 420763229 /nfs/dbraw/zinc/76/32/29/420763229.db2.gz WHGKTBNNFVEQHV-OLZOCXBDSA-N 2 0 326.445 -0.535 20 0 EBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529344067 420763614 /nfs/dbraw/zinc/76/36/14/420763614.db2.gz ZFGOSEWHFXRWIG-UONOGXRCSA-N 2 0 338.456 -0.663 20 0 EBADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000529345277 420764060 /nfs/dbraw/zinc/76/40/60/420764060.db2.gz UPIXYPCMNHKCFZ-UONOGXRCSA-N 2 0 338.456 -0.534 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000646858511 420712485 /nfs/dbraw/zinc/71/24/85/420712485.db2.gz XPZGGAJKWDQNQF-BZUAXINKSA-N 2 0 343.468 -0.869 20 0 EBADRP C[C@@H]1COCCN1CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000524922656 420739226 /nfs/dbraw/zinc/73/92/26/420739226.db2.gz KHUYTAHDVIDSMI-OAHLLOKOSA-N 2 0 329.489 -0.158 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000524922598 420739404 /nfs/dbraw/zinc/73/94/04/420739404.db2.gz IGRONEYGMKRBLU-HNNXBMFYSA-N 3 0 328.505 -0.633 20 0 EBADRP Cn1c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc(=O)n(C)c1=O ZINC000530241854 420780764 /nfs/dbraw/zinc/78/07/64/420780764.db2.gz RGJGVVREOZRSGY-OAHLLOKOSA-N 2 0 336.436 -0.326 20 0 EBADRP Cn1cnc2c1c(=O)n(CCC[NH+]1CCC(C)([NH3+])CC1)c(=O)n2C ZINC000649416159 420808000 /nfs/dbraw/zinc/80/80/00/420808000.db2.gz UMAMRKSMNQHRKG-UHFFFAOYSA-N 2 0 334.424 -0.363 20 0 EBADRP CC[C@H]1C[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[C@@H]1[NH3+] ZINC000649416540 420808342 /nfs/dbraw/zinc/80/83/42/420808342.db2.gz CZMHMWGDTMAYEG-STQMWFEESA-N 2 0 348.451 -0.117 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000654354225 420825239 /nfs/dbraw/zinc/82/52/39/420825239.db2.gz GYKOBHRGSGMWFS-XHSDSOJGSA-N 2 0 340.468 -0.196 20 0 EBADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000655970939 420859953 /nfs/dbraw/zinc/85/99/53/420859953.db2.gz NSAHCSVLVKGZDY-MELADBBJSA-N 2 0 325.457 -0.177 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656039850 420868944 /nfs/dbraw/zinc/86/89/44/420868944.db2.gz IYICGTKZYAFVEB-WVZRYYJFSA-N 2 0 340.468 -0.202 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656039725 420869393 /nfs/dbraw/zinc/86/93/93/420869393.db2.gz DVURZUCNBLZSCQ-MRLBHPIUSA-N 2 0 340.468 -0.204 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656041325 420869542 /nfs/dbraw/zinc/86/95/42/420869542.db2.gz QNULIXVMAUFJFC-SYQHCUMBSA-N 2 0 326.441 -0.579 20 0 EBADRP CC[N@@H+]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000658466183 420957333 /nfs/dbraw/zinc/95/73/33/420957333.db2.gz XDBOUSLRILMJKK-OAHLLOKOSA-N 2 0 338.452 -0.526 20 0 EBADRP CN(CC1=CCCOC1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000658535808 420961130 /nfs/dbraw/zinc/96/11/30/420961130.db2.gz LSESLALJBSIYFX-UHFFFAOYSA-N 2 0 340.468 -0.257 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659447356 420999532 /nfs/dbraw/zinc/99/95/32/420999532.db2.gz BLBGTENQWLATMD-XOYHFGRZSA-N 2 0 337.468 -0.020 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000659680036 421012667 /nfs/dbraw/zinc/01/26/67/421012667.db2.gz SLAUOVGRZISMDZ-CABCVRRESA-N 2 0 340.468 -0.322 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000659679293 421013213 /nfs/dbraw/zinc/01/32/13/421013213.db2.gz GMZCMHRBFWBOMZ-LBPRGKRZSA-N 2 0 337.424 -0.638 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000659701011 421016853 /nfs/dbraw/zinc/01/68/53/421016853.db2.gz XREYADGVMBTTLD-ILXRZTDVSA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CCO1 ZINC000659715424 421020203 /nfs/dbraw/zinc/02/02/03/421020203.db2.gz UQWBGTASNBZGRK-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCC2)CCO1 ZINC000659721547 421020829 /nfs/dbraw/zinc/02/08/29/421020829.db2.gz AETXWNZCKYIJFB-CYBMUJFWSA-N 2 0 326.441 -0.447 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[C@@H](C)[NH2+]1 ZINC000659738717 421026100 /nfs/dbraw/zinc/02/61/00/421026100.db2.gz ITXSDWOAHVBEJN-NFAWXSAZSA-N 2 0 338.452 -0.435 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659743222 421027740 /nfs/dbraw/zinc/02/77/40/421027740.db2.gz LLNQNENZGPOXFR-XOYHFGRZSA-N 2 0 338.452 -0.576 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659756537 421028805 /nfs/dbraw/zinc/02/88/05/421028805.db2.gz RXHKVRFFOZKJIX-ZFWWWQNUSA-N 2 0 339.484 -0.663 20 0 EBADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000662340418 421085288 /nfs/dbraw/zinc/08/52/88/421085288.db2.gz DNVSKQQYRNPQFP-SOUVJXGZSA-N 2 0 340.468 -0.155 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000662450250 421088086 /nfs/dbraw/zinc/08/80/86/421088086.db2.gz LUOIGOVAHHVSTN-CQSZACIVSA-N 2 0 335.456 -0.521 20 0 EBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000662450249 421088905 /nfs/dbraw/zinc/08/89/05/421088905.db2.gz LUOIGOVAHHVSTN-AWEZNQCLSA-N 2 0 335.456 -0.521 20 0 EBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])c1 ZINC000662699221 421097665 /nfs/dbraw/zinc/09/76/65/421097665.db2.gz YAPUCJYNYFFYJS-HZPDHXFCSA-N 2 0 348.447 -0.042 20 0 EBADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)C1(O)C[NH2+]C1 ZINC000662758024 421099281 /nfs/dbraw/zinc/09/92/81/421099281.db2.gz PGANFMJEGOGBOQ-UHFFFAOYSA-N 2 0 338.496 -0.025 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2[NH2+]CCC2(C)C)cn1 ZINC000662744751 421100126 /nfs/dbraw/zinc/10/01/26/421100126.db2.gz HJUUVSTVDAHZPG-AWEZNQCLSA-N 2 0 336.440 -0.113 20 0 EBADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662937022 421113039 /nfs/dbraw/zinc/11/30/39/421113039.db2.gz DTHIURVJIHHQLL-CHWSQXEVSA-N 2 0 326.416 -0.029 20 0 EBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662940163 421113096 /nfs/dbraw/zinc/11/30/96/421113096.db2.gz YIIVLDZBMZPFMQ-CYBMUJFWSA-N 2 0 340.468 -0.106 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CCC[NH2+]CC2)CCO1 ZINC000662954711 421117556 /nfs/dbraw/zinc/11/75/56/421117556.db2.gz NPFMQLZWHUWOKG-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CCO1 ZINC000662972084 421119125 /nfs/dbraw/zinc/11/91/25/421119125.db2.gz HXVHMUGLYKORNE-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CCO1 ZINC000662972085 421119580 /nfs/dbraw/zinc/11/95/80/421119580.db2.gz HXVHMUGLYKORNE-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000662992134 421121632 /nfs/dbraw/zinc/12/16/32/421121632.db2.gz AMVGFNRMAVBTFB-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000626847322 421222835 /nfs/dbraw/zinc/22/28/35/421222835.db2.gz RYUIPQJNBBPCMR-CYBMUJFWSA-N 2 0 336.440 -0.160 20 0 EBADRP C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC000645622990 421207260 /nfs/dbraw/zinc/20/72/60/421207260.db2.gz NYHQHCPSYLOVLW-TZMCWYRMSA-N 2 0 340.387 0.368 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000410496128 264696843 /nfs/dbraw/zinc/69/68/43/264696843.db2.gz CSVJNDVPQYUALC-UHFFFAOYSA-N 2 0 342.484 -0.034 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417758927 264816688 /nfs/dbraw/zinc/81/66/88/264816688.db2.gz VPGQOZFENJMGAO-AWEZNQCLSA-N 2 0 343.472 -0.549 20 0 EBADRP CC(C)[NH+](CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)C(C)C ZINC000419795209 264888769 /nfs/dbraw/zinc/88/87/69/264888769.db2.gz JBXJREMEQSKQFI-AWEZNQCLSA-N 2 0 328.457 -0.284 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419875684 264901033 /nfs/dbraw/zinc/90/10/33/264901033.db2.gz WWPNHCYLKFARGA-UONOGXRCSA-N 2 0 326.441 -0.591 20 0 EBADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000423206529 264990319 /nfs/dbraw/zinc/99/03/19/264990319.db2.gz GAPXFRGNLSPKFN-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000423442879 265005135 /nfs/dbraw/zinc/00/51/35/265005135.db2.gz KFIKUSDFFAYCRP-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)[C@@H](C)C[NH2+]1 ZINC000423654883 265026645 /nfs/dbraw/zinc/02/66/45/265026645.db2.gz RJICCOPESSKILB-CABCVRRESA-N 2 0 341.500 -0.463 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000423744990 265039967 /nfs/dbraw/zinc/03/99/67/265039967.db2.gz MBHHHELHQDGQKQ-ZFWWWQNUSA-N 2 0 328.457 -0.345 20 0 EBADRP COCC(C)(C)[NH+]1CCN([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000424520789 265071495 /nfs/dbraw/zinc/07/14/95/265071495.db2.gz CQSNLXKSXTVGAB-AWEZNQCLSA-N 2 0 340.468 -0.282 20 0 EBADRP CNC(=O)[C@]1(C)CC[NH+](CC(O)C[N@H+]2CC[C@@](C)(C(=O)NC)C2)C1 ZINC000430254951 265145498 /nfs/dbraw/zinc/14/54/98/265145498.db2.gz VWWMLGNMCPXTIY-IAGOWNOFSA-N 2 0 340.468 -0.737 20 0 EBADRP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430635720 265149705 /nfs/dbraw/zinc/14/97/05/265149705.db2.gz WCVPXZWCPBKFBT-RYUDHWBXSA-N 2 0 341.456 -0.214 20 0 EBADRP O=C(CC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CCOCC1 ZINC000430608767 265149855 /nfs/dbraw/zinc/14/98/55/265149855.db2.gz DYVCFTQPJYHBSG-HNNXBMFYSA-N 2 0 338.452 -0.621 20 0 EBADRP CCOCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430624085 265149995 /nfs/dbraw/zinc/14/99/95/265149995.db2.gz HZEYTFURLHLYTP-UONOGXRCSA-N 2 0 328.457 -0.295 20 0 EBADRP C[N@H+](CCCN1C(=O)NC(C)(C)C1=O)CC(=O)N1CC[NH2+]CC1 ZINC000430621051 265150279 /nfs/dbraw/zinc/15/02/79/265150279.db2.gz CSBNHJPZYXZYHV-UHFFFAOYSA-N 2 0 325.413 -0.930 20 0 EBADRP C[NH2+]C[C@H]1CCC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000430642728 265151911 /nfs/dbraw/zinc/15/19/11/265151911.db2.gz KSBDPPSDTYLAHF-CYBMUJFWSA-N 2 0 348.451 -0.245 20 0 EBADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000430963235 265158257 /nfs/dbraw/zinc/15/82/57/265158257.db2.gz SXMJWIXSPRHMPG-STQMWFEESA-N 2 0 348.451 -0.117 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)COC3C[NH2+]C3)CC2)C1 ZINC000431002678 265158898 /nfs/dbraw/zinc/15/88/98/265158898.db2.gz DQVFXUVKLGTFTN-INIZCTEOSA-N 2 0 340.468 -0.772 20 0 EBADRP CCS(=O)(=O)N1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433155765 265185944 /nfs/dbraw/zinc/18/59/44/265185944.db2.gz GNSDIUOEFSGLIF-UHFFFAOYSA-N 2 0 346.497 -0.316 20 0 EBADRP CNS(=O)(=O)C[C@H]1CCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433128466 265186021 /nfs/dbraw/zinc/18/60/21/265186021.db2.gz LSIPORBXRAGJRS-CQSZACIVSA-N 2 0 346.497 -0.270 20 0 EBADRP CS(=O)(=O)N1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433121066 265186102 /nfs/dbraw/zinc/18/61/02/265186102.db2.gz MHWXIICNMIBJEP-UHFFFAOYSA-N 2 0 332.470 -0.707 20 0 EBADRP CC[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)C(=O)N1CCOCC1 ZINC000433161834 265186269 /nfs/dbraw/zinc/18/62/69/265186269.db2.gz YMWNAQAQSBXXRE-OAHLLOKOSA-N 2 0 340.468 -0.057 20 0 EBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C[C@@H]2CSCC[NH2+]2)C1 ZINC000434867559 265216089 /nfs/dbraw/zinc/21/60/89/265216089.db2.gz FNLVTNJKUCVWLN-CHWSQXEVSA-N 2 0 328.482 -0.215 20 0 EBADRP CC[C@H](CO)[NH+]1CCN(C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000441515646 265307689 /nfs/dbraw/zinc/30/76/89/265307689.db2.gz NBVJOAUZWKVMDX-YYIAUSFCSA-N 2 0 329.485 -0.155 20 0 EBADRP C[C@@H]1CC(=O)C[C@H](C(=O)NCC[NH+](C)C)[C@H]1C(=O)NCC[NH+](C)C ZINC000448543587 265390615 /nfs/dbraw/zinc/39/06/15/265390615.db2.gz SGTAIVTXCDFSCE-SNPRPXQTSA-N 2 0 340.468 -0.427 20 0 EBADRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449091968 265392674 /nfs/dbraw/zinc/39/26/74/265392674.db2.gz SCHARBXNZFITSU-SFHVURJKSA-N 2 0 330.432 -0.192 20 0 EBADRP C[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000420145403 272820887 /nfs/dbraw/zinc/82/08/87/272820887.db2.gz OVSYZRYWXUVYSI-KGLIPLIRSA-N 2 0 339.484 -0.663 20 0 EBADRP CC(=O)N[C@H](C)C1CC[NH+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000357841216 277052940 /nfs/dbraw/zinc/05/29/40/277052940.db2.gz QDNOLNISABOLDQ-DOMZBBRYSA-N 2 0 338.452 -0.088 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000331470355 279039490 /nfs/dbraw/zinc/03/94/90/279039490.db2.gz GMTGHODSPMCMLY-FQUUOJAGSA-N 2 0 338.452 -0.232 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CCOC1C[NH2+]C1 ZINC000348988454 289018769 /nfs/dbraw/zinc/01/87/69/289018769.db2.gz HNGXLXIZMLBCSL-CQSZACIVSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)n1 ZINC000194922714 289186128 /nfs/dbraw/zinc/18/61/28/289186128.db2.gz IHRIKWDIZAQPPN-BETUJISGSA-N 2 0 334.424 -0.597 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CCO1 ZINC000332192218 289196598 /nfs/dbraw/zinc/19/65/98/289196598.db2.gz QSCUVMXXKQKKAC-YJNKXOJESA-N 2 0 338.452 -0.639 20 0 EBADRP C[C@H]1CN(C(=O)NC[C@@H]2C[NH+](C)CCN2C)CC[N@@H+]1CC(C)(C)O ZINC000333256880 300145779 /nfs/dbraw/zinc/14/57/79/300145779.db2.gz LJZXUSQGMCKQDC-LSDHHAIUSA-N 2 0 341.500 -0.281 20 0 EBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])C2)CC1 ZINC000595995694 545800312 /nfs/dbraw/zinc/80/03/12/545800312.db2.gz WISXCHPJBSJBTQ-AWEZNQCLSA-N 2 0 339.484 -0.580 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCCOC1 ZINC000671335567 545983468 /nfs/dbraw/zinc/98/34/68/545983468.db2.gz RNHUYKWTIPGBLL-CQSZACIVSA-N 2 0 328.457 -0.519 20 0 EBADRP CS(=O)(=O)N1CCN(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000677240802 546227480 /nfs/dbraw/zinc/22/74/80/546227480.db2.gz LOEOYHVKXCJILO-LSDHHAIUSA-N 2 0 330.498 -0.220 20 0 EBADRP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)CC1 ZINC000677875847 546238532 /nfs/dbraw/zinc/23/85/32/546238532.db2.gz WAIFHBXVBJMINU-HZPDHXFCSA-N 2 0 349.479 -0.683 20 0 EBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@]3(O)CC[NH+](C)C3)C2)CC1 ZINC000680835140 546293878 /nfs/dbraw/zinc/29/38/78/546293878.db2.gz XBZGXYBETUJZPT-WMLDXEAASA-N 2 0 339.484 -0.479 20 0 EBADRP O=C1NC[C@@H]2[C@H]1CCC[NH+]2C/C=C\C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000685004758 546381322 /nfs/dbraw/zinc/38/13/22/546381322.db2.gz NHYNLZVHVVGQRF-RANSTAHOSA-N 2 0 332.448 -0.037 20 0 EBADRP C[N@H+](CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CC1 ZINC000891547047 582557607 /nfs/dbraw/zinc/55/76/07/582557607.db2.gz WFUKARKMVPJIAB-MCIONIFRSA-N 2 0 337.424 -0.343 20 0 EBADRP CCN(C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CC[NH2+]C1 ZINC000891563509 582558651 /nfs/dbraw/zinc/55/86/51/582558651.db2.gz IHLFCAXTTQZJMJ-HOTGVXAUSA-N 2 0 339.484 -0.214 20 0 EBADRP [NH3+]C[C@@H](NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)C1CC1 ZINC000892029819 582566214 /nfs/dbraw/zinc/56/62/14/582566214.db2.gz WVTMCWZTRUKWBH-JKSUJKDBSA-N 2 0 339.484 -0.181 20 0 EBADRP [NH3+][C@@H](CNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)C1CC1 ZINC000892051226 582566555 /nfs/dbraw/zinc/56/65/55/582566555.db2.gz PRIAVXDMPTYCSP-CVEARBPZSA-N 2 0 339.484 -0.181 20 0 EBADRP C[C@@H](CC[NH3+])NC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892053898 582566568 /nfs/dbraw/zinc/56/65/68/582566568.db2.gz OMZNXXFYASZAKB-GJZGRUSLSA-N 2 0 327.473 -0.181 20 0 EBADRP O=C(N[C@@H]1CCC[NH2+]CC1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892083601 582567208 /nfs/dbraw/zinc/56/72/08/582567208.db2.gz WDTFRTLCKBBZER-SYQHCUMBSA-N 2 0 337.424 -0.295 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCO2)C[C@H]1C[NH+](C)C ZINC000892179504 582568948 /nfs/dbraw/zinc/56/89/48/582568948.db2.gz JGXKFOZYXVNGGR-RBSFLKMASA-N 3 0 327.473 -0.644 20 0 EBADRP [NH3+][C@H]1C[C@H](CNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC000892566635 582582584 /nfs/dbraw/zinc/58/25/84/582582584.db2.gz RJKIGYBHURCAHV-JYJNAYRXSA-N 2 0 339.484 -0.181 20 0 EBADRP C[C@@H](NC(=O)N1CCN(C)CC[N@H+](C)CC1)[C@H](C)N1CCOCC1 ZINC000892837376 582589220 /nfs/dbraw/zinc/58/92/20/582589220.db2.gz BLJQVTYPXRRLQH-CVEARBPZSA-N 2 0 341.500 -0.016 20 0 EBADRP O=C(NCC[NH+]1CCCOCC1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000895045953 582638356 /nfs/dbraw/zinc/63/83/56/582638356.db2.gz CZWVSXBABXIZPU-JKSUJKDBSA-N 2 0 340.468 -0.051 20 0 EBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C3C[NH+]([C@@H]4CCOC4)C3)CC2)C1 ZINC000896390505 582663113 /nfs/dbraw/zinc/66/31/13/582663113.db2.gz SGIMGPHVYJXXPH-DLBZAZTESA-N 2 0 336.480 -0.055 20 0 EBADRP C[C@@H]1CC[N@H+](CCNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000897465592 582690074 /nfs/dbraw/zinc/69/00/74/582690074.db2.gz XRJKUJROPPVBPP-CQSZACIVSA-N 2 0 325.457 -0.256 20 0 EBADRP COC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)NC(=O)[C@H]1CCC[NH+]1C ZINC000897499680 582693875 /nfs/dbraw/zinc/69/38/75/582693875.db2.gz KNQUZDOTCLZCNH-MGPQQGTHSA-N 2 0 326.441 -0.578 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[NH+](C)CCO)CC1=O ZINC000899733654 582755781 /nfs/dbraw/zinc/75/57/81/582755781.db2.gz HAAYTUMUJXCULO-CABCVRRESA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)CCn1nccc1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000900171430 582763288 /nfs/dbraw/zinc/76/32/88/582763288.db2.gz KOBWDHDJINBPBM-UHFFFAOYSA-N 2 0 336.440 -0.709 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1CCNC(=O)C1 ZINC000900481104 582770474 /nfs/dbraw/zinc/77/04/74/582770474.db2.gz MQIBQCKMKXSLID-OAHLLOKOSA-N 2 0 339.484 -0.707 20 0 EBADRP C[N@@H+]1CCC[C@@](O)(CC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000900513433 582771196 /nfs/dbraw/zinc/77/11/96/582771196.db2.gz WQECGKCDDNTVDK-RHSMWYFYSA-N 2 0 340.468 -0.463 20 0 EBADRP CC[NH+]1CCN([C@H](C)CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900685606 582778721 /nfs/dbraw/zinc/77/87/21/582778721.db2.gz GIHLOMYVFPGKSL-NVXWUHKLSA-N 2 0 326.485 -0.025 20 0 EBADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000902318320 582801759 /nfs/dbraw/zinc/80/17/59/582801759.db2.gz HALDLKIEDSXHJN-AWEZNQCLSA-N 2 0 332.514 -0.069 20 0 EBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)NC[C@@H]1CCCO1)C2 ZINC000903492449 582809720 /nfs/dbraw/zinc/80/97/20/582809720.db2.gz DUVZVIULVPZSFJ-ZWUHOBOKSA-N 2 0 325.409 -0.506 20 0 EBADRP O=C([C@@H]1CCC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1)N1CC[NH2+]CC1 ZINC000903713147 582814938 /nfs/dbraw/zinc/81/49/38/582814938.db2.gz GHOGFUWXPUBGMM-RYRKJORJSA-N 3 0 336.480 -0.101 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]([NH3+])C(C)(C)C2)CCO1 ZINC000903772979 582818585 /nfs/dbraw/zinc/81/85/85/582818585.db2.gz YZCYFWFEKZGDEH-ZIAGYGMSSA-N 2 0 340.468 -0.249 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C[C@H]1C(F)(F)F ZINC000903777003 582820182 /nfs/dbraw/zinc/82/01/82/582820182.db2.gz ZSZSEDGJDLAYGD-QJPTWQEYSA-N 2 0 346.353 -0.193 20 0 EBADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903778482 582820338 /nfs/dbraw/zinc/82/03/38/582820338.db2.gz NNECXIQKLBKNAL-GAGVYUBLSA-N 3 0 336.436 -0.378 20 0 EBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1CCN(CCO)C(C)(C)C1 ZINC000903786296 582820883 /nfs/dbraw/zinc/82/08/83/582820883.db2.gz XSIITKHZBXJKCC-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP COC[C@H]1C[NH2+]CCN1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000903875576 582822755 /nfs/dbraw/zinc/82/27/55/582822755.db2.gz FOGKXGSHSMDKEL-HZPDHXFCSA-N 2 0 342.484 -0.620 20 0 EBADRP C[NH+]1CCC2(CC1)NC(=O)N(CN1CC[C@@H]([NH+]3CC=CC3)C1)C2=O ZINC000742163652 583076476 /nfs/dbraw/zinc/07/64/76/583076476.db2.gz UUQDSGAEZZZLIE-CQSZACIVSA-N 2 0 333.436 -0.094 20 0 EBADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000804056444 583639589 /nfs/dbraw/zinc/63/95/89/583639589.db2.gz KSVDGLHPAOTMEV-RBSFLKMASA-N 2 0 338.452 -0.482 20 0 EBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000804057060 583639633 /nfs/dbraw/zinc/63/96/33/583639633.db2.gz NBTYKEZWBDTUKY-LSDHHAIUSA-N 2 0 338.452 -0.480 20 0 EBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804058359 583640494 /nfs/dbraw/zinc/64/04/94/583640494.db2.gz ZYYOBVPTSNUQHG-KKUMJFAQSA-N 2 0 340.468 -0.188 20 0 EBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)CC2)C1 ZINC000817994057 583733003 /nfs/dbraw/zinc/73/30/03/583733003.db2.gz ZJLBXYFZQPTHIU-OAGGEKHMSA-N 2 0 349.479 -0.955 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)C[C@H]2[NH3+])cn1 ZINC000818647583 583746744 /nfs/dbraw/zinc/74/67/44/583746744.db2.gz AQLDABNSCPZDRK-YHUYYLMFSA-N 2 0 348.451 -0.281 20 0 EBADRP COC[C@@](C)(CNC(=O)C[NH+]1CCCC1)NC(=O)C[NH+]1CCCC1 ZINC000820003255 583764717 /nfs/dbraw/zinc/76/47/17/583764717.db2.gz KWHNONVQVZXJRK-QGZVFWFLSA-N 2 0 340.468 -0.185 20 0 EBADRP COC(=O)[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC[N@H+](C)C1 ZINC000822631136 583815031 /nfs/dbraw/zinc/81/50/31/583815031.db2.gz PLERVNLYNHNDHJ-ZDUSSCGKSA-N 2 0 327.425 -0.340 20 0 EBADRP COC(=O)[C@H](CCNC(=O)[C@@H](C)[NH+](C)C)NC(=O)[C@@H](C)[NH+](C)C ZINC000825286629 583857134 /nfs/dbraw/zinc/85/71/34/583857134.db2.gz LYBPMFUBROISOB-UTUOFQBUSA-N 2 0 330.429 -0.949 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[NH+]1CCCCC1 ZINC000842015762 584056326 /nfs/dbraw/zinc/05/63/26/584056326.db2.gz MYLNWCVMVQXREU-ZIAGYGMSSA-N 2 0 326.441 -0.528 20 0 EBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000842165136 584059063 /nfs/dbraw/zinc/05/90/63/584059063.db2.gz TWSOKIZWEQEIPM-BARDWOONSA-N 2 0 336.436 -0.681 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CCSC1 ZINC000842190781 584060395 /nfs/dbraw/zinc/06/03/95/584060395.db2.gz IOAYJNYZSKWBNA-JKSUJKDBSA-N 2 0 340.493 -0.106 20 0 EBADRP [NH3+]CC(=O)NCC(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000843332146 584075909 /nfs/dbraw/zinc/07/59/09/584075909.db2.gz JZAYLBSVDYATDA-UHFFFAOYSA-N 2 0 334.376 -0.391 20 0 EBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000844186897 584090898 /nfs/dbraw/zinc/09/08/98/584090898.db2.gz ATWKDDLBEYJTHP-JKSUJKDBSA-N 2 0 340.468 -0.722 20 0 EBADRP COC(=O)C1CC[NH+](CCCNC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852884492 584218739 /nfs/dbraw/zinc/21/87/39/584218739.db2.gz GPALQLWYMBKGNQ-GFCCVEGCSA-N 2 0 326.397 -0.519 20 0 EBADRP COC(=O)C1CC[NH+](CCCNC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852884493 584218773 /nfs/dbraw/zinc/21/87/73/584218773.db2.gz GPALQLWYMBKGNQ-LBPRGKRZSA-N 2 0 326.397 -0.519 20 0 EBADRP CC[C@H]([NH3+])CNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861644586 584332536 /nfs/dbraw/zinc/33/25/36/584332536.db2.gz MJDNQWJSRJCUIY-UHTWSYAYSA-N 2 0 325.413 -0.310 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861756359 584337597 /nfs/dbraw/zinc/33/75/97/584337597.db2.gz YDPVUGBRQBUFDW-MCIONIFRSA-N 2 0 336.436 -0.633 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000863761862 584377157 /nfs/dbraw/zinc/37/71/57/584377157.db2.gz RRNZIQKAZWOTJD-LBPRGKRZSA-N 2 0 335.408 -0.456 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])C1 ZINC000863763406 584377467 /nfs/dbraw/zinc/37/74/67/584377467.db2.gz BZPLOBLELMGGNX-KBPBESRZSA-N 2 0 328.457 -0.249 20 0 EBADRP CCOC(=O)CCS(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867588906 584411862 /nfs/dbraw/zinc/41/18/62/584411862.db2.gz IMSLFSUEKPQMBM-ZIAGYGMSSA-N 2 0 349.497 -0.059 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)CCCN3CC[NH+](C)CC3)CC[C@H]21 ZINC000867809505 584418023 /nfs/dbraw/zinc/41/80/23/584418023.db2.gz SAJJJPKJTOCQOI-HZPDHXFCSA-N 2 0 344.525 -0.020 20 0 EBADRP COCC[N@H+](C)CCNC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000868217849 584423010 /nfs/dbraw/zinc/42/30/10/584423010.db2.gz ZGPDQXCUPQTCRG-UHFFFAOYSA-N 2 0 341.500 -0.014 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868396311 584428136 /nfs/dbraw/zinc/42/81/36/584428136.db2.gz RPVLSGUICHEAOA-KBPBESRZSA-N 2 0 326.441 -0.767 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000868397888 584428191 /nfs/dbraw/zinc/42/81/91/584428191.db2.gz DVIJLAYCWNOCGZ-ZIAGYGMSSA-N 3 0 341.500 -0.620 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868396316 584428218 /nfs/dbraw/zinc/42/82/18/584428218.db2.gz RPVLSGUICHEAOA-UONOGXRCSA-N 2 0 326.441 -0.767 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)C[C@H]1C[NH3+] ZINC000868403951 584428676 /nfs/dbraw/zinc/42/86/76/584428676.db2.gz BFQUPJRWKOZGRI-ZIAGYGMSSA-N 2 0 340.468 -0.249 20 0 EBADRP COC[C@@]1(C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC[NH2+]C1 ZINC000870997648 584450775 /nfs/dbraw/zinc/45/07/75/584450775.db2.gz PPSUGTKXNNTNEG-RSUWNVLCSA-N 2 0 338.408 -0.994 20 0 EBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000872185250 584458529 /nfs/dbraw/zinc/45/85/29/584458529.db2.gz JXRFZBSQKQSVPY-KBXCAEBGSA-N 2 0 343.431 -0.202 20 0 EBADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872300369 584461361 /nfs/dbraw/zinc/46/13/61/584461361.db2.gz BNMIMFWRTLJLBT-GDLQIIPXSA-N 2 0 334.420 -0.064 20 0 EBADRP CN1CCn2nc(NC(=O)C(=O)N3CC[C@H]4[C@@H]3CCC[N@@H+]4C)cc2C1 ZINC000874368605 584481922 /nfs/dbraw/zinc/48/19/22/584481922.db2.gz DMEMYOWFAVVTPD-KBPBESRZSA-N 2 0 346.435 -0.038 20 0 EBADRP C[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C(=O)N(C)C ZINC000875095079 584489598 /nfs/dbraw/zinc/48/95/98/584489598.db2.gz DKWFTOYTFOTMJR-BFHYXJOUSA-N 2 0 327.473 -0.156 20 0 EBADRP COC[C@H](C)CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875130641 584490080 /nfs/dbraw/zinc/49/00/80/584490080.db2.gz QIMNHICVPFTEOE-RBSFLKMASA-N 2 0 342.484 -0.417 20 0 EBADRP CNC(=O)CCCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875133785 584490101 /nfs/dbraw/zinc/49/01/01/584490101.db2.gz SBHSIMJRGKMQMH-ZIAGYGMSSA-N 2 0 327.473 -0.107 20 0 EBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@@H](N)C[NH+](C)C)c1 ZINC000876739471 584521959 /nfs/dbraw/zinc/52/19/59/584521959.db2.gz GPFXRHUUVWOXKZ-HNNXBMFYSA-N 2 0 335.452 -0.517 20 0 EBADRP Cn1ncc(C[NH3+])c1C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000876782498 584523618 /nfs/dbraw/zinc/52/36/18/584523618.db2.gz WJXPKMGUIGFQLV-UHFFFAOYSA-N 2 0 343.435 -0.044 20 0 EBADRP CC[NH+]1CCN(CCCNC(=O)[C@@]2(COC)C[NH2+]CCO2)CC1 ZINC000876781988 584523674 /nfs/dbraw/zinc/52/36/74/584523674.db2.gz UDDMGXUQSHAOBJ-INIZCTEOSA-N 2 0 328.457 -0.865 20 0 EBADRP COC[C@]1(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)C[NH2+]CCO1 ZINC000876850207 584524979 /nfs/dbraw/zinc/52/49/79/584524979.db2.gz LJIMLJMBJCTQBY-XPTSAGLGSA-N 2 0 326.422 -0.097 20 0 EBADRP COC[C@]1(C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)C[NH2+]CCO1 ZINC000876917965 584526881 /nfs/dbraw/zinc/52/68/81/584526881.db2.gz CZQFJMLXKNLEAE-INMHGKMJSA-N 2 0 341.452 -0.264 20 0 EBADRP COCCN(CC1CC[NH+](C)CC1)C(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000877132538 584529109 /nfs/dbraw/zinc/52/91/09/584529109.db2.gz GSYWRIFUOQVPAG-INIZCTEOSA-N 2 0 342.484 -0.097 20 0 EBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877330854 584531630 /nfs/dbraw/zinc/53/16/30/584531630.db2.gz HZQUPRXSKGQSNH-ZIAGYGMSSA-N 2 0 338.452 -0.480 20 0 EBADRP O[C@@H]1C[C@H](O)C[NH+](CC(C[N@H+]2C[C@H](O)C[C@H](O)C2)C2CCCC2)C1 ZINC000878155581 584538102 /nfs/dbraw/zinc/53/81/02/584538102.db2.gz IRYHCZDUONRMAZ-USTZCAOPSA-N 2 0 342.480 -0.352 20 0 EBADRP COC(=O)C[C@@]1([NH2+]CC(=O)NC2CC[NH+](C)CC2)CCCOC1 ZINC000878444546 584540708 /nfs/dbraw/zinc/54/07/08/584540708.db2.gz ICCHKWYMLCRPRO-INIZCTEOSA-N 2 0 327.425 -0.101 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000884517850 584625562 /nfs/dbraw/zinc/62/55/62/584625562.db2.gz YAVWSRATYGFMCT-CQSZACIVSA-N 2 0 325.457 -0.922 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CCC1 ZINC000884529240 584625753 /nfs/dbraw/zinc/62/57/53/584625753.db2.gz KAXMTVHWNQNIBY-LLVKDONJSA-N 2 0 332.395 -0.052 20 0 EBADRP CN(CCCCCC[NH3+])C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000884560521 584627724 /nfs/dbraw/zinc/62/77/24/584627724.db2.gz ZMCLOJZXMFQZIW-GJZGRUSLSA-N 2 0 340.468 -0.057 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884562552 584627744 /nfs/dbraw/zinc/62/77/44/584627744.db2.gz DGUFEUCMEBWPNX-ZDUSSCGKSA-N 2 0 328.457 -0.425 20 0 EBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000884598230 584628933 /nfs/dbraw/zinc/62/89/33/584628933.db2.gz WCXCTNCEQRPCEB-CABCVRRESA-N 2 0 338.452 -0.432 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000884603649 584629238 /nfs/dbraw/zinc/62/92/38/584629238.db2.gz OGZJXOVOSUQEFM-HUUCEWRRSA-N 2 0 340.468 -0.057 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F)[N@H+](C)C1CC1 ZINC000884617881 584629828 /nfs/dbraw/zinc/62/98/28/584629828.db2.gz UIYSGONLRIIOBI-WDEREUQCSA-N 2 0 332.395 -0.054 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884637296 584630548 /nfs/dbraw/zinc/63/05/48/584630548.db2.gz ICQRUQLNGYXYJE-HDJSIYSDSA-N 2 0 328.457 -0.295 20 0 EBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000884643169 584631186 /nfs/dbraw/zinc/63/11/86/584631186.db2.gz YVHZGCUOVNCOLV-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000884676949 584633164 /nfs/dbraw/zinc/63/31/64/584633164.db2.gz CFJXWIZFAQFBMD-UHFFFAOYSA-N 2 0 339.484 -0.613 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CCN1c1cc[nH+]cc1 ZINC000884678949 584633750 /nfs/dbraw/zinc/63/37/50/584633750.db2.gz PWDGOFOCXBIGDI-WFASDCNBSA-N 2 0 331.420 -0.028 20 0 EBADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000884725705 584636398 /nfs/dbraw/zinc/63/63/98/584636398.db2.gz ULPNEVBWRIEQNI-HNNXBMFYSA-N 2 0 340.468 -0.282 20 0 EBADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000884726655 584636583 /nfs/dbraw/zinc/63/65/83/584636583.db2.gz YXIVTSUYPQVZFQ-OAHLLOKOSA-N 2 0 340.468 -0.185 20 0 EBADRP C[N@@H+]1CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CCC1(C)C ZINC000884808706 584638301 /nfs/dbraw/zinc/63/83/01/584638301.db2.gz ZHHZAPHMUYWVCJ-UHFFFAOYSA-N 2 0 326.441 -0.447 20 0 EBADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000884814728 584638647 /nfs/dbraw/zinc/63/86/47/584638647.db2.gz GTTQUPOIDVAOPW-KGLIPLIRSA-N 2 0 347.419 -0.777 20 0 EBADRP CN1Cc2ccccc2[C@@H]1CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000885022111 584642849 /nfs/dbraw/zinc/64/28/49/584642849.db2.gz KNLYGYFJPRGDAJ-HOCLYGCPSA-N 2 0 346.431 -0.135 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000885147098 584644417 /nfs/dbraw/zinc/64/44/17/584644417.db2.gz UJVAXVXUKGLFCF-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCC3(F)F)CC[C@H]21 ZINC000885296562 584647684 /nfs/dbraw/zinc/64/76/84/584647684.db2.gz ZGCSHVUOWHSFRA-FRRDWIJNSA-N 2 0 344.406 -0.100 20 0 EBADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000887084767 584676044 /nfs/dbraw/zinc/67/60/44/584676044.db2.gz JQMWSYGLCYXXSB-OAHLLOKOSA-N 2 0 338.452 -0.493 20 0 EBADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@]1(CO)COCC2(CCC2)N1C ZINC000890057502 584691348 /nfs/dbraw/zinc/69/13/48/584691348.db2.gz HECHEQOEJBPQNT-RHSMWYFYSA-N 2 0 340.468 -0.004 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@]2(F)CC[NH2+]C2)cn1 ZINC000178812389 649979512 /nfs/dbraw/zinc/97/95/12/649979512.db2.gz LGWFUZNRMSIBOV-CQSZACIVSA-N 2 0 326.376 -0.799 20 0 EBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000446269706 650011122 /nfs/dbraw/zinc/01/11/22/650011122.db2.gz BBYARYPUZOYLSR-NSHDSACASA-N 2 0 334.424 -0.627 20 0 EBADRP COC[C@]1(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C[NH2+]CCO1 ZINC000876730637 650043075 /nfs/dbraw/zinc/04/30/75/650043075.db2.gz ILHNZTBPKXPDBU-INMHGKMJSA-N 2 0 343.468 -0.003 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891439026 650047395 /nfs/dbraw/zinc/04/73/95/650047395.db2.gz ADEGPZJMVAKUBL-RQJABVFESA-N 2 0 337.424 -0.343 20 0 EBADRP CN(C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)C1(C[NH3+])CCOCC1 ZINC000904971897 650053607 /nfs/dbraw/zinc/05/36/07/650053607.db2.gz RNLAAOXAUNNERG-CQSZACIVSA-N 2 0 338.452 -0.351 20 0 EBADRP CN(C(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)C1(C[NH3+])CCOCC1 ZINC000904979329 650053916 /nfs/dbraw/zinc/05/39/16/650053916.db2.gz HKZOTYCMCSXGRW-KGLIPLIRSA-N 2 0 338.452 -0.495 20 0 EBADRP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000904986962 650055502 /nfs/dbraw/zinc/05/55/02/650055502.db2.gz MMOQNSVTHMVYLC-LJISPDSOSA-N 2 0 336.436 -0.993 20 0 EBADRP C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000904989052 650055663 /nfs/dbraw/zinc/05/56/63/650055663.db2.gz YCPKPYPBKZALGI-CKEIUWERSA-N 2 0 338.452 -0.759 20 0 EBADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000904988087 650055778 /nfs/dbraw/zinc/05/57/78/650055778.db2.gz SLVDWTRKMQGUON-RBSFLKMASA-N 2 0 338.452 -0.759 20 0 EBADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000904991006 650056342 /nfs/dbraw/zinc/05/63/42/650056342.db2.gz SDOCISZMKVLXTB-KGLIPLIRSA-N 2 0 326.441 -0.888 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000904996443 650057401 /nfs/dbraw/zinc/05/74/01/650057401.db2.gz PZRNFLRSNWTCFW-KGLIPLIRSA-N 2 0 326.441 -0.624 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000905014465 650059809 /nfs/dbraw/zinc/05/98/09/650059809.db2.gz KKJFBYHGPFKJSR-OAHLLOKOSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@H](CNS(=O)(=O)CC1CC[NH2+]CC1)CN1CC[NH+](C)CC1 ZINC000905338613 650063071 /nfs/dbraw/zinc/06/30/71/650063071.db2.gz UBFGZXOLLLFJKJ-CQSZACIVSA-N 2 0 332.514 -0.211 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H](O)Cc2ccccc2F)CC1 ZINC000905475178 650063729 /nfs/dbraw/zinc/06/37/29/650063729.db2.gz SJJLVCJRLYNADN-HOTGVXAUSA-N 2 0 325.428 -0.073 20 0 EBADRP COC[C@]1(C[NH+](C)C)COCCN1C(=O)COC1CC[NH+](C)CC1 ZINC000906124106 650066751 /nfs/dbraw/zinc/06/67/51/650066751.db2.gz RBOHXGQMVPBCHB-QGZVFWFLSA-N 2 0 343.468 -0.097 20 0 EBADRP CC[NH+]1CCN(CCNC(=O)C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000906646194 650069458 /nfs/dbraw/zinc/06/94/58/650069458.db2.gz OYTALFBDWFUPKX-UHFFFAOYSA-N 2 0 333.436 -0.163 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)n1 ZINC000906764527 650071181 /nfs/dbraw/zinc/07/11/81/650071181.db2.gz CUONFUQYINLKEV-INIZCTEOSA-N 2 0 334.424 -0.262 20 0 EBADRP COC(=O)[C@H]1CN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC[N@H+](C)C1 ZINC000910414059 650110706 /nfs/dbraw/zinc/11/07/06/650110706.db2.gz YYZHCMYFFQJTPL-ZIAGYGMSSA-N 2 0 325.409 -0.730 20 0 EBADRP COC(=O)[C@@H]1CN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC[N@H+](C)C1 ZINC000910414054 650110762 /nfs/dbraw/zinc/11/07/62/650110762.db2.gz YYZHCMYFFQJTPL-KBPBESRZSA-N 2 0 325.409 -0.730 20 0 EBADRP CCN1CC[C@@H]1CNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000910539437 650111994 /nfs/dbraw/zinc/11/19/94/650111994.db2.gz GDYPRKYAPSMELU-HUUCEWRRSA-N 2 0 338.452 -0.480 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000910920967 650140770 /nfs/dbraw/zinc/14/07/70/650140770.db2.gz BTHSQKOHVBMJHF-CABCVRRESA-N 2 0 340.468 -0.546 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000910946813 650141403 /nfs/dbraw/zinc/14/14/03/650141403.db2.gz PRLDVPAWTSTJAK-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000910947233 650141718 /nfs/dbraw/zinc/14/17/18/650141718.db2.gz VYDUZSGIPXROLC-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000910968510 650142411 /nfs/dbraw/zinc/14/24/11/650142411.db2.gz AGJQLCSIOWONBZ-UHFFFAOYSA-N 2 0 339.484 -0.613 20 0 EBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC000910980128 650142891 /nfs/dbraw/zinc/14/28/91/650142891.db2.gz YTKBTEDERCWION-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000910980514 650143887 /nfs/dbraw/zinc/14/38/87/650143887.db2.gz ZVVNTWYSVNBXDQ-ZDUSSCGKSA-N 2 0 328.457 -0.201 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000911009505 650145183 /nfs/dbraw/zinc/14/51/83/650145183.db2.gz SBUMEVSXGMKBFM-HZSPNIEDSA-N 2 0 326.441 -0.578 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000911022365 650146160 /nfs/dbraw/zinc/14/61/60/650146160.db2.gz LTNHPVATAPUVBG-HNNXBMFYSA-N 2 0 340.468 -0.185 20 0 EBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000911027949 650146202 /nfs/dbraw/zinc/14/62/02/650146202.db2.gz GBWLKBCYLYLHSW-JKIFEVAISA-N 2 0 340.468 -0.465 20 0 EBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000911053960 650147902 /nfs/dbraw/zinc/14/79/02/650147902.db2.gz FAKUJXZGCZLWPT-BBRMVZONSA-N 2 0 326.441 -0.711 20 0 EBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH2+]C[C@H]1CCOC ZINC000911054839 650148139 /nfs/dbraw/zinc/14/81/39/650148139.db2.gz MCQPCNUHKOGENY-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC000911068503 650149287 /nfs/dbraw/zinc/14/92/87/650149287.db2.gz LMCSSTGEVFYBQL-LSDHHAIUSA-N 2 0 339.484 -0.676 20 0 EBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911072640 650149347 /nfs/dbraw/zinc/14/93/47/650149347.db2.gz LMAPJEGWRMGIQH-ZIAGYGMSSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000911072639 650149354 /nfs/dbraw/zinc/14/93/54/650149354.db2.gz LMAPJEGWRMGIQH-UONOGXRCSA-N 2 0 340.468 -0.282 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000911092167 650150587 /nfs/dbraw/zinc/15/05/87/650150587.db2.gz QRLRZAUFLQCRSB-GJZGRUSLSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)[NH+]1CCC(C)CC1 ZINC000911091776 650150652 /nfs/dbraw/zinc/15/06/52/650150652.db2.gz PUGPZCQCFACYHW-YOEHRIQHSA-N 2 0 340.468 -0.465 20 0 EBADRP C[NH2+]CCN(C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1)C(C)C ZINC000911098595 650151012 /nfs/dbraw/zinc/15/10/12/650151012.db2.gz DHIMXMGLINMHDZ-UHFFFAOYSA-N 2 0 341.500 -0.415 20 0 EBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000911099713 650151283 /nfs/dbraw/zinc/15/12/83/650151283.db2.gz APIGYVDRNSBFQF-AWEZNQCLSA-N 2 0 339.484 -0.757 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000911117125 650152082 /nfs/dbraw/zinc/15/20/82/650152082.db2.gz VOOVZKIPKQQTDT-ZDUSSCGKSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H](NC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CN(C)CCO1 ZINC000911162198 650155909 /nfs/dbraw/zinc/15/59/09/650155909.db2.gz NSSYCGUEBUGYOW-SYQHCUMBSA-N 2 0 326.441 -0.817 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911154430 650155072 /nfs/dbraw/zinc/15/50/72/650155072.db2.gz ABPRSIXBQNYUPN-NXEZZACHSA-N 2 0 340.346 -0.971 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000911156264 650155120 /nfs/dbraw/zinc/15/51/20/650155120.db2.gz PIOXPNUUJCPROI-CJNGLKHVSA-N 2 0 326.441 -0.589 20 0 EBADRP C[C@H](NC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2)[C@@H]1CN(C)CCO1 ZINC000911161294 650155332 /nfs/dbraw/zinc/15/53/32/650155332.db2.gz FWAVYAGDLADVFX-ZQIUZPCESA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000911145668 650153757 /nfs/dbraw/zinc/15/37/57/650153757.db2.gz GUNUXZUXQQDTJC-GXTWGEPZSA-N 2 0 338.452 -0.448 20 0 EBADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911146216 650153797 /nfs/dbraw/zinc/15/37/97/650153797.db2.gz JUGQKGKACNNMLH-HKWIRBFKSA-N 2 0 348.369 -0.067 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000911162936 650156186 /nfs/dbraw/zinc/15/61/86/650156186.db2.gz ULJWGKHHXRNNGQ-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911177537 650157395 /nfs/dbraw/zinc/15/73/95/650157395.db2.gz URYGAMDILQZCDJ-INIZCTEOSA-N 2 0 326.441 -0.575 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000911194556 650158281 /nfs/dbraw/zinc/15/82/81/650158281.db2.gz QHSRWOAUJSDWEB-CPUCHLNUSA-N 2 0 338.452 -0.447 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000911238518 650161801 /nfs/dbraw/zinc/16/18/01/650161801.db2.gz QKGXENJVCVIGRG-GJZGRUSLSA-N 2 0 338.452 -0.434 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911196273 650159008 /nfs/dbraw/zinc/15/90/08/650159008.db2.gz WCZYEPUEXIDPTO-LSDHHAIUSA-N 2 0 340.468 -0.138 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC[C@H]1C[NH3+] ZINC000911198118 650159102 /nfs/dbraw/zinc/15/91/02/650159102.db2.gz GAPAHKFJSRQUPA-WWGRRREGSA-N 2 0 342.509 -0.017 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H]1C(F)(F)F ZINC000911215366 650160088 /nfs/dbraw/zinc/16/00/88/650160088.db2.gz OHUZNHOHMHKFOU-MVWJERBFSA-N 2 0 348.369 -0.065 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C[C@H]1C(F)(F)F ZINC000911224408 650160838 /nfs/dbraw/zinc/16/08/38/650160838.db2.gz XZQDJZOOJSJSLT-QJPTWQEYSA-N 2 0 348.369 -0.065 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)C1CCCC1 ZINC000911235641 650161388 /nfs/dbraw/zinc/16/13/88/650161388.db2.gz GVGYUKBQVPCRJN-INIZCTEOSA-N 2 0 326.441 -0.711 20 0 EBADRP CCC[N@H+](CC)CCNC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911256569 650163497 /nfs/dbraw/zinc/16/34/97/650163497.db2.gz WJIWUSIRBBOVBQ-UHFFFAOYSA-N 2 0 327.473 -0.626 20 0 EBADRP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000911298190 650167741 /nfs/dbraw/zinc/16/77/41/650167741.db2.gz SPBHAUWFWCNCMT-ZOPJHEKZSA-N 2 0 338.452 -0.374 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCCC1)C[NH+](C)C ZINC000911269400 650164419 /nfs/dbraw/zinc/16/44/19/650164419.db2.gz KOUFWLDDZPYTOT-ZDUSSCGKSA-N 2 0 328.457 -0.153 20 0 EBADRP O=C(NCC1CC[NH2+]CC1)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911268444 650164652 /nfs/dbraw/zinc/16/46/52/650164652.db2.gz WJTKWWGSKMOPSJ-CABCVRRESA-N 2 0 338.452 -0.840 20 0 EBADRP O=C(NCCC[NH2+]C1CC1)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000911270363 650164952 /nfs/dbraw/zinc/16/49/52/650164952.db2.gz KVTDVTRZKMALOT-HUUCEWRRSA-N 2 0 338.452 -0.698 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)C[NH+](C)C ZINC000911295630 650167161 /nfs/dbraw/zinc/16/71/61/650167161.db2.gz HTBJDZOWOMALFM-ZDUSSCGKSA-N 2 0 328.457 -0.425 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)C[NH+](C)C ZINC000911299508 650167610 /nfs/dbraw/zinc/16/76/10/650167610.db2.gz YSKTVYKJGWFLQI-KGLIPLIRSA-N 2 0 328.457 -0.297 20 0 EBADRP C[C@H](CCNC(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)[NH+]1CCCCC1 ZINC000911242879 650162218 /nfs/dbraw/zinc/16/22/18/650162218.db2.gz KXQSBEWBJUNNBG-RHSMWYFYSA-N 2 0 340.468 -0.321 20 0 EBADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)N1CCNCC[NH2+]CC1 ZINC000911324349 650171260 /nfs/dbraw/zinc/17/12/60/650171260.db2.gz ARUNREMMZXTAOU-HUUCEWRRSA-N 2 0 337.468 -0.859 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911346066 650173353 /nfs/dbraw/zinc/17/33/53/650173353.db2.gz NNGDCRHLQFENOY-LJISPDSOSA-N 2 0 338.452 -0.699 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000911366501 650175264 /nfs/dbraw/zinc/17/52/64/650175264.db2.gz HJXGBPHIUPSPHI-HZSPNIEDSA-N 2 0 326.441 -0.720 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000911370415 650176261 /nfs/dbraw/zinc/17/62/61/650176261.db2.gz ZFOWSLZTKICZHT-ZOBORPQBSA-N 2 0 326.441 -0.674 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000911375388 650176553 /nfs/dbraw/zinc/17/65/53/650176553.db2.gz VYHLOZLGAWFVFT-UMVBOHGHSA-N 2 0 338.452 -0.578 20 0 EBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911413423 650180090 /nfs/dbraw/zinc/18/00/90/650180090.db2.gz GPWQFBRJPKLYHR-AWEZNQCLSA-N 2 0 339.484 -0.674 20 0 EBADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN3CCSC[C@@H]23)C1 ZINC000911421887 650182774 /nfs/dbraw/zinc/18/27/74/650182774.db2.gz XWEFKBYIAOCJKB-AVGNSLFASA-N 2 0 326.466 -0.510 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1)C[NH+](C)C ZINC000911433616 650183060 /nfs/dbraw/zinc/18/30/60/650183060.db2.gz BKXZSFYAQUPKTA-ZIAGYGMSSA-N 2 0 328.457 -0.473 20 0 EBADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](C[NH+](C)C)OCC ZINC000911433923 650183544 /nfs/dbraw/zinc/18/35/44/650183544.db2.gz FERPTCQJRUMVHS-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[NH2+]CCC12CCC2)C[NH+](C)C ZINC000911436474 650183796 /nfs/dbraw/zinc/18/37/96/650183796.db2.gz SWMLMSHWTZDGDS-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCCCCCN2CC[NH2+]CC2)C1 ZINC000911436962 650183827 /nfs/dbraw/zinc/18/38/27/650183827.db2.gz SYKICBSCPCMIKL-OAHLLOKOSA-N 2 0 339.484 -0.612 20 0 EBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)CCO1 ZINC000911532226 650190839 /nfs/dbraw/zinc/19/08/39/650190839.db2.gz KRWJBTWRFWMUPI-OLZOCXBDSA-N 2 0 326.441 -0.591 20 0 EBADRP CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911533811 650190975 /nfs/dbraw/zinc/19/09/75/650190975.db2.gz LLYBKDRZXVJVTF-MJBXVCDLSA-N 2 0 338.452 -0.842 20 0 EBADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911536573 650191219 /nfs/dbraw/zinc/19/12/19/650191219.db2.gz NUSGKQSBQJTSPH-BFHYXJOUSA-N 2 0 326.441 -0.530 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)C[C@@H](C)O1 ZINC000911527958 650190618 /nfs/dbraw/zinc/19/06/18/650190618.db2.gz MQUFBCOVUMSWHD-MCIONIFRSA-N 2 0 340.468 -0.284 20 0 EBADRP C[C@H](C[NH3+])N(C)C(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC000911814576 650196892 /nfs/dbraw/zinc/19/68/92/650196892.db2.gz UHZVVJNVCZANCB-MRVPVSSYSA-N 2 0 331.214 -0.011 20 0 EBADRP C[N@@H+]1CCC[C@](O)(CC(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000912715606 650211354 /nfs/dbraw/zinc/21/13/54/650211354.db2.gz ZWLOPGMCOFTVOV-WBVHZDCISA-N 2 0 325.453 -0.109 20 0 EBADRP CN1CC[N@H+](C)CC(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000913438921 650233254 /nfs/dbraw/zinc/23/32/54/650233254.db2.gz ZIMNIIKJWNRGES-HZPDHXFCSA-N 3 0 339.528 -0.322 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)C[C@H]1C[NH+](C)C ZINC000913437138 650233622 /nfs/dbraw/zinc/23/36/22/650233622.db2.gz OVXVCVBVMGHACI-KCYZZUKISA-N 3 0 326.485 -0.361 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)CC1 ZINC000916662186 650275514 /nfs/dbraw/zinc/27/55/14/650275514.db2.gz NWNSJKIGCINPIY-JKSUJKDBSA-N 2 0 344.525 -0.163 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000917959729 650286002 /nfs/dbraw/zinc/28/60/02/650286002.db2.gz LUVKRTAVRBXPGJ-HZPDHXFCSA-N 2 0 339.484 -0.215 20 0 EBADRP CN1CC(=O)N(CC[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])C1=O ZINC000923342949 650338226 /nfs/dbraw/zinc/33/82/26/650338226.db2.gz AEDUVYXGNMETAA-LBPRGKRZSA-N 2 0 325.413 -0.800 20 0 EBADRP O=S1(=O)CCCN1[C@@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923371886 650338988 /nfs/dbraw/zinc/33/89/88/650338988.db2.gz AUTQMPLDLDWXCO-KGLIPLIRSA-N 2 0 329.466 -0.135 20 0 EBADRP CN(C[C@@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1)S(C)(=O)=O ZINC000923375785 650339197 /nfs/dbraw/zinc/33/91/97/650339197.db2.gz FCURJYISKJWJLE-UONOGXRCSA-N 2 0 331.482 -0.032 20 0 EBADRP CCCNC(=O)CN(C)C(=O)C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923453681 650341060 /nfs/dbraw/zinc/34/10/60/650341060.db2.gz CVUFXPQMKWAIPG-AWEZNQCLSA-N 2 0 340.468 -0.199 20 0 EBADRP C[C@H]1C[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[C@H]1C[NH3+] ZINC000923500789 650342091 /nfs/dbraw/zinc/34/20/91/650342091.db2.gz YBCJSNGNHIFLBE-STQMWFEESA-N 2 0 348.451 -0.260 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC2(CC1)C[C@H](O)CNC2=O ZINC000923526672 650342767 /nfs/dbraw/zinc/34/27/67/650342767.db2.gz RMVLTSQDBQJXLV-ULQDDVLXSA-N 2 0 347.459 -0.120 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000923606555 650346851 /nfs/dbraw/zinc/34/68/51/650346851.db2.gz YTGPVLMPCXWYNN-CQSZACIVSA-N 2 0 344.481 -0.692 20 0 EBADRP CC[NH+]1CCN(C[C@@H](C)CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000923618625 650348069 /nfs/dbraw/zinc/34/80/69/650348069.db2.gz ATVZYLPQWQRVCQ-LSDHHAIUSA-N 2 0 332.514 -0.069 20 0 EBADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923652272 650350527 /nfs/dbraw/zinc/35/05/27/650350527.db2.gz KLTJVTAQVZTWMR-RDBSUJKOSA-N 2 0 332.470 -0.503 20 0 EBADRP [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000923645494 650350761 /nfs/dbraw/zinc/35/07/61/650350761.db2.gz HFTVSQCTCJHEPI-UONOGXRCSA-N 2 0 332.470 -0.645 20 0 EBADRP CC(C)[C@H](CN1C(=O)N[C@@H](C[NH+](C)C)C1=O)[NH+]1CCN(C)CC1 ZINC000924454398 650362821 /nfs/dbraw/zinc/36/28/21/650362821.db2.gz BBFBLVQODYZVER-KBPBESRZSA-N 2 0 325.457 -0.260 20 0 EBADRP CCN1CC[NH+](CCCCN2C(=O)N[C@@H](C[NH+](C)C)C2=O)CC1 ZINC000924479167 650363649 /nfs/dbraw/zinc/36/36/49/650363649.db2.gz ZEVOYPFCTQKBRO-AWEZNQCLSA-N 2 0 325.457 -0.114 20 0 EBADRP CC[NH+]1CCN(C[C@@H](C)CN2C(=O)N[C@H](C[NH+](C)C)C2=O)CC1 ZINC000924493825 650364153 /nfs/dbraw/zinc/36/41/53/650364153.db2.gz ZZVGXGMFPSWBRK-ZIAGYGMSSA-N 2 0 325.457 -0.258 20 0 EBADRP CN1C[C@H](CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1=O ZINC000924740174 650367219 /nfs/dbraw/zinc/36/72/19/650367219.db2.gz AZZAQMXQYGIIIR-CQSZACIVSA-N 2 0 327.473 -0.010 20 0 EBADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000925155334 650373499 /nfs/dbraw/zinc/37/34/99/650373499.db2.gz FHECTPOLHMOYMH-YDHLFZDLSA-N 2 0 328.482 -0.068 20 0 EBADRP C[N@@H+]1C[C@H](O)C[C@H]1CNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000924984230 650370619 /nfs/dbraw/zinc/37/06/19/650370619.db2.gz PUWFBHBBWSYCHR-JZXOWHBKSA-N 2 0 333.432 -0.195 20 0 EBADRP C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000924985075 650370693 /nfs/dbraw/zinc/37/06/93/650370693.db2.gz GBOSMEBPYTWBLP-HUUCEWRRSA-N 2 0 333.436 -0.372 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926328829 650385886 /nfs/dbraw/zinc/38/58/86/650385886.db2.gz SRTWYHGLMQIUQY-HUUCEWRRSA-N 2 0 340.468 -0.247 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC[C@@H]1C[NH3+] ZINC000926336528 650386875 /nfs/dbraw/zinc/38/68/75/650386875.db2.gz XYFMGXMLRMOOCE-MCIONIFRSA-N 2 0 326.441 -0.781 20 0 EBADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926334495 650386942 /nfs/dbraw/zinc/38/69/42/650386942.db2.gz JBRITLKGIYVDFN-INIZCTEOSA-N 2 0 326.441 -0.757 20 0 EBADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926349054 650388321 /nfs/dbraw/zinc/38/83/21/650388321.db2.gz RUGWIGRKTFMWJC-QGZVFWFLSA-N 2 0 342.484 -0.121 20 0 EBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)C1 ZINC000926375839 650389973 /nfs/dbraw/zinc/38/99/73/650389973.db2.gz WYIFQULDMMOMPH-CJNGLKHVSA-N 2 0 326.441 -0.712 20 0 EBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000926388850 650390800 /nfs/dbraw/zinc/39/08/00/650390800.db2.gz AQGBOSISSUWLRK-INIZCTEOSA-N 2 0 340.468 -0.369 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CCO1 ZINC000926389159 650390976 /nfs/dbraw/zinc/39/09/76/650390976.db2.gz VHCXABRZIOFUAA-CABCVRRESA-N 2 0 340.468 -0.247 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[C@H]1C[NH3+] ZINC000927890027 651511729 /nfs/dbraw/zinc/51/17/29/651511729.db2.gz DVKLYLQOWDSKGG-OLZOCXBDSA-N 2 0 336.440 -0.174 20 0 EBADRP O[C@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)C[C@]1(O)CCOC1 ZINC000929282774 651541023 /nfs/dbraw/zinc/54/10/23/651541023.db2.gz DKNXLRAAGZAOGZ-DLBZAZTESA-N 2 0 328.453 -0.067 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)C1 ZINC000930008279 651577188 /nfs/dbraw/zinc/57/71/88/651577188.db2.gz BLOGQQZTOJGGSB-CQSZACIVSA-N 2 0 342.484 -0.131 20 0 EBADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)c1 ZINC000930148472 651585859 /nfs/dbraw/zinc/58/58/59/651585859.db2.gz BYNRNWSPAZUIRA-HNNXBMFYSA-N 2 0 348.451 -0.874 20 0 EBADRP C[C@H](CNC(=O)CN1C[C@@H](O)C(C)(C)C1)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000930269696 651591115 /nfs/dbraw/zinc/59/11/15/651591115.db2.gz ITQNVGGXEPAXEL-MGPQQGTHSA-N 2 0 327.469 -0.104 20 0 EBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000930491179 651598453 /nfs/dbraw/zinc/59/84/53/651598453.db2.gz OEGJXHWRAIYMQB-BWQRHGBYSA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931485568 651634243 /nfs/dbraw/zinc/63/42/43/651634243.db2.gz NJHMUEACNQHQMQ-KBPBESRZSA-N 2 0 340.468 -0.513 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)C[NH+](C)C ZINC000932470459 651682838 /nfs/dbraw/zinc/68/28/38/651682838.db2.gz ZVKNRGUYDSBINJ-CABCVRRESA-N 2 0 342.484 -0.131 20 0 EBADRP COC[C@H](C)[NH+]1CC(N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000941641178 652851186 /nfs/dbraw/zinc/85/11/86/652851186.db2.gz XPNUOPCTWGFQNT-HNNXBMFYSA-N 2 0 336.480 -0.055 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)C1 ZINC000944598962 652899912 /nfs/dbraw/zinc/89/99/12/652899912.db2.gz DVTMCDKZVSFASF-GJZGRUSLSA-N 2 0 338.452 -0.623 20 0 EBADRP CC[C@@H](C(=O)N1CCC(O)(C[NH2+][C@@H]2CCCNC2=O)CC1)[NH+](C)C ZINC000946927485 653273786 /nfs/dbraw/zinc/27/37/86/653273786.db2.gz JGVWEFGVNPIMOU-KGLIPLIRSA-N 2 0 340.468 -0.452 20 0 EBADRP CC[C@@H](C(=O)N1CCOC2(CC[NH+]([C@H](C)C(N)=O)CC2)C1)[NH+](C)C ZINC000949191930 653826588 /nfs/dbraw/zinc/82/65/88/653826588.db2.gz ZWQBCBFCOKLHJM-KGLIPLIRSA-N 2 0 340.468 -0.106 20 0 EBADRP CN(CC[NH+](C)C)C(=O)Cc1[nH]ncc1C(=O)N(C)CC[NH+](C)C ZINC000934007702 719444969 /nfs/dbraw/zinc/44/49/69/719444969.db2.gz INYODHUOOYSBND-UHFFFAOYSA-N 2 0 338.456 -0.394 20 0 EBADRP CN(C(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000954846064 719935833 /nfs/dbraw/zinc/93/58/33/719935833.db2.gz FQVRYEIGNXJQKF-UHFFFAOYSA-N 2 0 332.448 -0.153 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000955352820 720139772 /nfs/dbraw/zinc/13/97/72/720139772.db2.gz YKKRAVIXTLDKNT-DZGCQCFKSA-N 2 0 334.464 -0.051 20 0 EBADRP COCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000958076697 722301398 /nfs/dbraw/zinc/30/13/98/722301398.db2.gz JXHVPNHVENVHSE-DZGCQCFKSA-N 2 0 339.440 -0.886 20 0 EBADRP C[NH+](C)CCc1ccc(C(=O)NC[C@H]2C[N@H+](CCO)C[C@@H]2O)cc1 ZINC000958400496 722360538 /nfs/dbraw/zinc/36/05/38/722360538.db2.gz VQNGXLCUTJIXQH-IRXDYDNUSA-N 2 0 335.448 -0.195 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2C[N@H+](CC3CC3)C[C@H]2O)cn1 ZINC000958466805 722371326 /nfs/dbraw/zinc/37/13/26/722371326.db2.gz BBCPNIFMUMRZPG-GDBMZVCRSA-N 2 0 335.452 -0.123 20 0 EBADRP CC[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC000958751836 722426646 /nfs/dbraw/zinc/42/66/46/722426646.db2.gz MDBQXTMYNCTFIO-QPSCCSFWSA-N 2 0 340.468 -0.549 20 0 EBADRP C[N@H+](CC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)C1CCC1 ZINC001018971619 728758698 /nfs/dbraw/zinc/75/86/98/728758698.db2.gz KVTNYIYJPBYQAT-ZDUSSCGKSA-N 2 0 336.436 -0.190 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC000960216987 722807377 /nfs/dbraw/zinc/80/73/77/722807377.db2.gz QDQJJRUHUVGORW-KBPBESRZSA-N 2 0 336.436 -0.142 20 0 EBADRP C[N@H+](C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCC(=O)NC1=O ZINC000960978094 722883771 /nfs/dbraw/zinc/88/37/71/722883771.db2.gz HFPCMFXJLNPFLL-UONOGXRCSA-N 2 0 348.447 -0.190 20 0 EBADRP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC000961594737 723042483 /nfs/dbraw/zinc/04/24/83/723042483.db2.gz HZUMCAAXDSEDCK-LVQVYYBASA-N 2 0 334.464 -0.051 20 0 EBADRP C[NH+]1CCC(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)CC1 ZINC000961960114 723131656 /nfs/dbraw/zinc/13/16/56/723131656.db2.gz YMGACLAGTSZNFA-HWWDLCQESA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)Cn3cccn3)C[C@H]21 ZINC000962567762 723285975 /nfs/dbraw/zinc/28/59/75/723285975.db2.gz LYYDIKOHBVFGAH-LJIGWXMPSA-N 2 0 333.436 -0.614 20 0 EBADRP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001019131439 728806466 /nfs/dbraw/zinc/80/64/66/728806466.db2.gz UPTVSLUUUNKQDU-JSGCOSHPSA-N 2 0 340.387 -0.040 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC(C[NH2+]Cc3nnnn3C3CC3)C2)C1 ZINC000962711159 723310070 /nfs/dbraw/zinc/31/00/70/723310070.db2.gz QXTLUFPSTVMHNH-OTTFEQOBSA-N 2 0 333.440 -0.056 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2CC(C[NH2+]Cc3nnnn3C3CC3)C2)C1 ZINC000962711156 723310236 /nfs/dbraw/zinc/31/02/36/723310236.db2.gz QXTLUFPSTVMHNH-CPCZMJQVSA-N 2 0 333.440 -0.056 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1)C1CC1 ZINC000963488054 723434030 /nfs/dbraw/zinc/43/40/30/723434030.db2.gz ZCFBIEPVMLZKGY-IJEWVQPXSA-N 2 0 338.452 -0.890 20 0 EBADRP Cn1cncc1CC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000964117921 723816460 /nfs/dbraw/zinc/81/64/60/723816460.db2.gz GCLXJVRLQMJCBN-HUUCEWRRSA-N 2 0 349.435 -0.600 20 0 EBADRP C[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000968549556 725079999 /nfs/dbraw/zinc/07/99/99/725079999.db2.gz UAQOFMHZHMQJDX-HUUCEWRRSA-N 2 0 349.479 -0.066 20 0 EBADRP CN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)C2)C1=O ZINC000968719375 725109495 /nfs/dbraw/zinc/10/94/95/725109495.db2.gz RZLNIFIMAAVTAC-ZIAGYGMSSA-N 2 0 348.451 -0.521 20 0 EBADRP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](CCN2C(=O)CCC2=O)C1 ZINC000969413343 725178029 /nfs/dbraw/zinc/17/80/29/725178029.db2.gz XSQNFVJGFDFPAC-TZMCWYRMSA-N 2 0 336.436 -0.334 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)cn1 ZINC000970230976 725265383 /nfs/dbraw/zinc/26/53/83/725265383.db2.gz HUMBEKDFMBOPMO-HUUCEWRRSA-N 2 0 348.451 -0.473 20 0 EBADRP CC1CC[NH+](CC(=O)N2CC[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CC1 ZINC000970333858 725279047 /nfs/dbraw/zinc/27/90/47/725279047.db2.gz BAVNGZITKNFKMB-KGLIPLIRSA-N 2 0 336.436 -0.286 20 0 EBADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC000970747162 725323276 /nfs/dbraw/zinc/32/32/76/725323276.db2.gz SFOXWFYLHIWHIT-GFCCVEGCSA-N 2 0 349.435 -0.930 20 0 EBADRP C[N@H+](CCN1C(=O)CNC1=O)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000971201465 725353832 /nfs/dbraw/zinc/35/38/32/725353832.db2.gz OEFAACFBDISEGB-STQMWFEESA-N 2 0 337.424 -0.835 20 0 EBADRP C[N@H+](CCN1C(=O)CNC1=O)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000971201463 725353837 /nfs/dbraw/zinc/35/38/37/725353837.db2.gz OEFAACFBDISEGB-QWHCGFSZSA-N 2 0 337.424 -0.835 20 0 EBADRP Cc1cncn1CC(=O)N1CC[C@@H]([N@H+](C)CCN2C(=O)CNC2=O)C1 ZINC000971950171 725450713 /nfs/dbraw/zinc/45/07/13/725450713.db2.gz QMAPWKXEDQMDQU-CYBMUJFWSA-N 2 0 348.407 -0.724 20 0 EBADRP CN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CCO2)C1=O ZINC001051650670 735291810 /nfs/dbraw/zinc/29/18/10/735291810.db2.gz CQVZGDGAVBBWMW-UONOGXRCSA-N 2 0 338.452 -0.482 20 0 EBADRP CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CCO2)C1=O ZINC001051650669 735292179 /nfs/dbraw/zinc/29/21/79/735292179.db2.gz CQVZGDGAVBBWMW-KGLIPLIRSA-N 2 0 338.452 -0.482 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC000991714474 725566268 /nfs/dbraw/zinc/56/62/68/725566268.db2.gz YKQQFPHUDJHXHA-IBTMFYDMSA-N 2 0 348.447 -0.872 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000991740977 725595453 /nfs/dbraw/zinc/59/54/53/725595453.db2.gz YYPBATIJOHLADQ-ZFWWWQNUSA-N 2 0 338.452 -0.626 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC000991745336 725598905 /nfs/dbraw/zinc/59/89/05/725598905.db2.gz BUVXFIDFPHJXRV-AWEZNQCLSA-N 2 0 338.452 -0.623 20 0 EBADRP O=C(N[C@]12CCC[C@H]1[N@H+](CCO)CC2)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000991935394 725679674 /nfs/dbraw/zinc/67/96/74/725679674.db2.gz QYKBYCHDSIPVIP-QGCXPJKYSA-N 2 0 335.448 -0.045 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NC2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000992022923 725703603 /nfs/dbraw/zinc/70/36/03/725703603.db2.gz NDTABMCJKONNTI-ZDUSSCGKSA-N 2 0 348.451 -0.663 20 0 EBADRP O=C(Cc1ncc[nH]1)N[C@]12CCC[C@@H]1[N@@H+]([C@H]1CCC(=O)NC1=O)CC2 ZINC000992376631 725789404 /nfs/dbraw/zinc/78/94/04/725789404.db2.gz KKRBVNXIEGDMFP-PRXAMGSTSA-N 2 0 345.403 -0.129 20 0 EBADRP Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC001051686340 735323836 /nfs/dbraw/zinc/32/38/36/735323836.db2.gz WJXBDGHHWWIUMC-CABCVRRESA-N 2 0 336.440 -0.384 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000993565782 725904317 /nfs/dbraw/zinc/90/43/17/725904317.db2.gz ACZZZRWMSSYPGJ-GJZGRUSLSA-N 2 0 336.436 -0.728 20 0 EBADRP O=C(c1ccc2c[nH+]cn2c1)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051715830 735349204 /nfs/dbraw/zinc/34/92/04/735349204.db2.gz UVPOZEKIBVYBPH-GJZGRUSLSA-N 2 0 343.387 -0.347 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC000976266464 726245651 /nfs/dbraw/zinc/24/56/51/726245651.db2.gz GFNTWXVPRPIIFR-QXSJWSMHSA-N 2 0 334.464 -0.005 20 0 EBADRP CC1(C)CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CC(N)=O ZINC000996069491 726329063 /nfs/dbraw/zinc/32/90/63/726329063.db2.gz JNNDXACGCYLMJC-XPFWZQFZSA-N 2 0 336.436 -0.839 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC000976541547 726340600 /nfs/dbraw/zinc/34/06/00/726340600.db2.gz PPMPEOYFAZBUKC-CBZIJGRNSA-N 2 0 346.475 -0.003 20 0 EBADRP Cc1nccn1CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C[C@H]21 ZINC000976542887 726341589 /nfs/dbraw/zinc/34/15/89/726341589.db2.gz QUPAONQSQQJFMS-QVDCYYDOSA-N 2 0 345.447 -0.038 20 0 EBADRP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC000996608627 726419917 /nfs/dbraw/zinc/41/99/17/726419917.db2.gz DFKCXTXLXMGAMA-CQSZACIVSA-N 2 0 337.468 -0.066 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]Cc3nc(=O)n(C)[nH]3)CC2)CC[N@@H+]1C ZINC000996608533 726419927 /nfs/dbraw/zinc/41/99/27/726419927.db2.gz SRKZXUSZOROOAE-DGCLKSJQSA-N 2 0 336.440 -0.471 20 0 EBADRP Cn1ncnc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000996624262 726420491 /nfs/dbraw/zinc/42/04/91/726420491.db2.gz XCUBEHQXOZJNEX-LSDHHAIUSA-N 2 0 348.451 -0.241 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)nc1=O ZINC000996680937 726422117 /nfs/dbraw/zinc/42/21/17/726422117.db2.gz WULRNXWPBHCGQM-CQSZACIVSA-N 2 0 336.440 -0.471 20 0 EBADRP C[C@@H]([NH2+]C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1)C(N)=O ZINC000997127168 726439269 /nfs/dbraw/zinc/43/92/69/726439269.db2.gz NVHXPMKTJMMWOF-GFCCVEGCSA-N 2 0 326.441 -0.448 20 0 EBADRP O=C(N1CCC([NH2+]CCN2C(=O)CCC2=O)CC1)C12CC[NH+](CC1)C2 ZINC000997185158 726440273 /nfs/dbraw/zinc/44/02/73/726440273.db2.gz DCDFLTVMWCYWBE-UHFFFAOYSA-N 2 0 348.447 -0.188 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC([NH2+][C@H]3CCC(=O)NC3=O)CC2)C1 ZINC000997181934 726440276 /nfs/dbraw/zinc/44/02/76/726440276.db2.gz CRXYVJVMFDUGAX-JSGCOSHPSA-N 2 0 336.436 -0.286 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]CCN3C(=O)CNC3=O)CC2)C1 ZINC000997300517 726445422 /nfs/dbraw/zinc/44/54/22/726445422.db2.gz WNQBPIRAIXYMET-LBPRGKRZSA-N 2 0 337.424 -0.930 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3nnc4n3CCOC4)CC2)C1 ZINC000997296644 726445504 /nfs/dbraw/zinc/44/55/04/726445504.db2.gz AOBGBYQNBNUMIW-CYBMUJFWSA-N 2 0 348.451 -0.159 20 0 EBADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000998779891 726497670 /nfs/dbraw/zinc/49/76/70/726497670.db2.gz ISKIGYOOOPWSPG-JXQTWKCFSA-N 2 0 348.451 -0.471 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CCC[C@@H]([NH2+][C@H]3CCNC3=O)C2)n1 ZINC000999181769 726510090 /nfs/dbraw/zinc/51/00/90/726510090.db2.gz MKBSYBRMCZDVRW-KGLIPLIRSA-N 2 0 348.451 -0.473 20 0 EBADRP CN(C(=O)C1CC[NH+](C)CC1)C1CC([NH2+]CCN2CCNC2=O)C1 ZINC000999340644 726515093 /nfs/dbraw/zinc/51/50/93/726515093.db2.gz DOGVGSQKTIIGDC-UHFFFAOYSA-N 2 0 337.468 -0.068 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCc1cn([C@@H]2CC[NH+](CCO)C2)nn1 ZINC000999996481 726548598 /nfs/dbraw/zinc/54/85/98/726548598.db2.gz JPBYYVYUHQARPG-CABCVRRESA-N 2 0 336.440 -0.382 20 0 EBADRP C[NH+]1CCC(C(=O)NCc2cn([C@@H]3CC[N@H+](CCO)C3)nn2)CC1 ZINC001000019788 726550978 /nfs/dbraw/zinc/55/09/78/726550978.db2.gz GJJFDGPIQFVGIC-OAHLLOKOSA-N 2 0 336.440 -0.525 20 0 EBADRP C[C@@H](O)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001000037134 726552239 /nfs/dbraw/zinc/55/22/39/726552239.db2.gz ZDCSPJPZTVXHFD-UKRRQHHQSA-N 2 0 348.451 -0.382 20 0 EBADRP Cn1[nH]c(C[NH2+][C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)nc1=O ZINC001000713721 726575887 /nfs/dbraw/zinc/57/58/87/726575887.db2.gz WRVOWCZJEQPVQO-GFCCVEGCSA-N 2 0 334.424 -0.715 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001000922373 726584067 /nfs/dbraw/zinc/58/40/67/726584067.db2.gz AQSDWTVZCAPQLX-UONOGXRCSA-N 2 0 336.436 -0.332 20 0 EBADRP O=C(NCC1=CC[N@H+](CCN2CCNC2=O)CC1)C12CC[NH+](CC1)C2 ZINC001001374200 726603959 /nfs/dbraw/zinc/60/39/59/726603959.db2.gz PKOHWUZISSIRPH-UHFFFAOYSA-N 2 0 347.463 -0.144 20 0 EBADRP O=C(NC1CC[NH+](CCn2cncn2)CC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001002874257 726651794 /nfs/dbraw/zinc/65/17/94/726651794.db2.gz HJDZSCUKORYGPL-HZPDHXFCSA-N 2 0 348.451 -0.278 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001003333108 726669994 /nfs/dbraw/zinc/66/99/94/726669994.db2.gz IGQDPOKJLZUGHF-DZGCQCFKSA-N 2 0 334.464 -0.146 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC001003626619 726682681 /nfs/dbraw/zinc/68/26/81/726682681.db2.gz SNMNCWVGVJIOLC-GXTWGEPZSA-N 2 0 336.436 -0.286 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)C1 ZINC001009079284 726854207 /nfs/dbraw/zinc/85/42/07/726854207.db2.gz CQODNBIRVZYLHA-YHUYYLMFSA-N 2 0 346.475 -0.146 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051902361 735454575 /nfs/dbraw/zinc/45/45/75/735454575.db2.gz DAHWYGCOACDAGB-OCCSQVGLSA-N 2 0 347.419 -0.533 20 0 EBADRP COc1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CCO2)nn1 ZINC001051932137 735470151 /nfs/dbraw/zinc/47/01/51/735470151.db2.gz LMUILGMMYSPSPX-HIFRSBDPSA-N 2 0 349.435 -0.246 20 0 EBADRP C[C@@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001017747912 728608543 /nfs/dbraw/zinc/60/85/43/728608543.db2.gz LWICEKMMXMRUSK-BUYXHREJSA-N 2 0 335.448 -0.094 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001019779061 728989474 /nfs/dbraw/zinc/98/94/74/728989474.db2.gz KCQCHQWEWKNNIV-KBPBESRZSA-N 2 0 336.440 -0.526 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001020028550 729058602 /nfs/dbraw/zinc/05/86/02/729058602.db2.gz CCBZVQWTWJYPED-XDQVBPFNSA-N 2 0 329.466 -0.248 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C2)nc1=O ZINC001020150642 729086162 /nfs/dbraw/zinc/08/61/62/729086162.db2.gz ZQQHTWARKLAFIE-XDQVBPFNSA-N 2 0 348.451 -0.280 20 0 EBADRP O=C(N[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001020161494 729088900 /nfs/dbraw/zinc/08/89/00/729088900.db2.gz FJPQGPKDRFWMER-RBSFLKMASA-N 2 0 335.452 -0.410 20 0 EBADRP O=C(N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001020178691 729092308 /nfs/dbraw/zinc/09/23/08/729092308.db2.gz BBSBLSSICPQTKP-TUVASFSCSA-N 2 0 334.424 -0.622 20 0 EBADRP CCn1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)nn1 ZINC001020179023 729092537 /nfs/dbraw/zinc/09/25/37/729092537.db2.gz LDYCDTGQDLHMOQ-DARAHFNDSA-N 2 0 348.451 -0.102 20 0 EBADRP Cn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020178782 729092686 /nfs/dbraw/zinc/09/26/86/729092686.db2.gz FBRUKEAYNYDCOO-AAVRWANBSA-N 2 0 334.424 -0.585 20 0 EBADRP CCn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020178808 729092738 /nfs/dbraw/zinc/09/27/38/729092738.db2.gz FRNILRSFFPONSL-TUVASFSCSA-N 2 0 348.451 -0.102 20 0 EBADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3CCCC3=O)C2)O1 ZINC001020286605 729124432 /nfs/dbraw/zinc/12/44/32/729124432.db2.gz GFFFGBUXBJRMNL-KBUPBQIOSA-N 2 0 338.452 -0.435 20 0 EBADRP O=C(N[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)c1ccc2c[nH+]cn2c1 ZINC001020396224 729158080 /nfs/dbraw/zinc/15/80/80/729158080.db2.gz KSBULGPLGALXBX-YRGRVCCFSA-N 2 0 341.371 -0.010 20 0 EBADRP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1)C(N)=O ZINC001020407285 729160567 /nfs/dbraw/zinc/16/05/67/729160567.db2.gz XJUSIPHQMPTLFO-RJMWBIHPSA-N 2 0 336.436 -0.650 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)CC1 ZINC001020543358 729198599 /nfs/dbraw/zinc/19/85/99/729198599.db2.gz MHONTFGSWYHLCG-JOCQHMNTSA-N 2 0 337.424 -0.883 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001020587774 729205077 /nfs/dbraw/zinc/20/50/77/729205077.db2.gz UGFDXWNAWZURBZ-AVGNSLFASA-N 2 0 337.424 -0.741 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3nnc4n3CCOC4)C2)C1 ZINC001020926917 729257170 /nfs/dbraw/zinc/25/71/70/729257170.db2.gz HEYQBKLEBDGOFR-MGPQQGTHSA-N 2 0 348.451 -0.113 20 0 EBADRP CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)c3ccn(CC[NH+](C)C)n3)C2)C1=O ZINC001022097443 729454629 /nfs/dbraw/zinc/45/46/29/729454629.db2.gz XXKCIPZLZRXQIS-VNHYZAJKSA-N 2 0 348.451 -0.474 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)CC[N@@H+]1C ZINC001022103869 729455496 /nfs/dbraw/zinc/45/54/96/729455496.db2.gz OEMYDAIXUOEEBN-FVCCEPFGSA-N 2 0 337.424 -0.885 20 0 EBADRP O=C(N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001022118946 729457233 /nfs/dbraw/zinc/45/72/33/729457233.db2.gz AYIUDVDCPDKZQY-QXSJWSMHSA-N 2 0 333.436 -0.017 20 0 EBADRP Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)[nH]1 ZINC001022120148 729457812 /nfs/dbraw/zinc/45/78/12/729457812.db2.gz LGLDWPJAOQPKGH-RQJABVFESA-N 2 0 334.424 -0.287 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001022165301 729462777 /nfs/dbraw/zinc/46/27/77/729462777.db2.gz YVHFOTPEVFZPNV-CRWXNKLISA-N 2 0 336.436 -0.097 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001022165738 729463013 /nfs/dbraw/zinc/46/30/13/729463013.db2.gz DNJYHZGHRORADF-FRRDWIJNSA-N 2 0 336.440 -0.280 20 0 EBADRP Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001022451763 729495117 /nfs/dbraw/zinc/49/51/17/729495117.db2.gz GZWCDYIPFBDOSO-ZYZJXQEISA-N 2 0 346.435 -0.585 20 0 EBADRP Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001022451511 729495124 /nfs/dbraw/zinc/49/51/24/729495124.db2.gz BWISJMVEPSCEDM-QGJIUJSSSA-N 2 0 346.435 -0.585 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001022715934 729524406 /nfs/dbraw/zinc/52/44/06/729524406.db2.gz OHOOISMYVISCIG-TUVASFSCSA-N 2 0 343.493 0.000 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001022715928 729524413 /nfs/dbraw/zinc/52/44/13/729524413.db2.gz OHOOISMYVISCIG-BARDWOONSA-N 2 0 343.493 0.000 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001023084199 729598179 /nfs/dbraw/zinc/59/81/79/729598179.db2.gz KCLGKKWTNKIBLR-LJISPDSOSA-N 2 0 343.493 0.000 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023796877 729800848 /nfs/dbraw/zinc/80/08/48/729800848.db2.gz OLPZOGYTAPJNAG-RBSFLKMASA-N 2 0 338.452 -0.746 20 0 EBADRP O=C(N1CCCC[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1=O)C12CC[NH+](CC1)C2 ZINC001025140570 730005024 /nfs/dbraw/zinc/00/50/24/730005024.db2.gz HVRRUYQAPWJEAG-ZIAGYGMSSA-N 2 0 348.447 -0.142 20 0 EBADRP CN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+]3CCC2CC3)C1=O ZINC001025787288 730088235 /nfs/dbraw/zinc/08/82/35/730088235.db2.gz KNQKQJLWOMWMRE-AALSBFMBSA-N 2 0 332.448 -0.395 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)CC[N@@H+]1C ZINC001025794105 730089506 /nfs/dbraw/zinc/08/95/06/730089506.db2.gz ZMQGCWGPPBMMEQ-LREAXHOUSA-N 2 0 334.420 -0.822 20 0 EBADRP COC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908380 730104827 /nfs/dbraw/zinc/10/48/27/730104827.db2.gz DSPMHCLWVUFWKO-HTRNMQKXSA-N 2 0 335.448 -0.069 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCCN(C)C4=O)C[C@H]32)C1 ZINC001026043516 730117385 /nfs/dbraw/zinc/11/73/85/730117385.db2.gz IALGXZFMVAZNFQ-GAGVYUBLSA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)N(C)C3CC3)C[C@H]21 ZINC001026044224 730117662 /nfs/dbraw/zinc/11/76/62/730117662.db2.gz MBFKPVMSTOYDHI-XMSFWSCYSA-N 2 0 334.464 -0.149 20 0 EBADRP CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC[NH+](C)C2)C1=O ZINC001026140356 730124433 /nfs/dbraw/zinc/12/44/33/730124433.db2.gz IQFSNRLVQQQMPA-KSXIZUIISA-N 2 0 334.464 -0.005 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@H]4CCNC(=O)CC4)C[C@H]32)C1 ZINC001026145820 730125463 /nfs/dbraw/zinc/12/54/63/730125463.db2.gz MDXWVUPWFOSMCY-NPCUJANDSA-N 2 0 334.464 -0.099 20 0 EBADRP Cn1nnnc1C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001026348273 730139854 /nfs/dbraw/zinc/13/98/54/730139854.db2.gz DUACNBQEDZNUPP-RRFJBIMHSA-N 2 0 347.467 -0.122 20 0 EBADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CC[C@H]([NH2+]CCN3CCNC3=O)[C@@H]2C1 ZINC001026420146 730144577 /nfs/dbraw/zinc/14/45/77/730144577.db2.gz DTGBJASZEXLAJG-XHSDSOJGSA-N 2 0 349.479 -0.066 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2CCC([NH2+]CCN3CCNC3=O)CC2)C1 ZINC001026605437 730152243 /nfs/dbraw/zinc/15/22/43/730152243.db2.gz PDKDUAZOBDIVFQ-NFOMZHRRSA-N 2 0 337.468 -0.020 20 0 EBADRP O=C(C[NH+]1CCCC1)NC1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001026606395 730152396 /nfs/dbraw/zinc/15/23/96/730152396.db2.gz AOPOHZIJXKRAGL-JXQTWKCFSA-N 2 0 336.436 -0.096 20 0 EBADRP C[NH+](C)C1(C(=O)N2CC[C@H](C[NH2+][C@H]3CCC(=O)NC3=O)C2)CCC1 ZINC001026885051 730166916 /nfs/dbraw/zinc/16/69/16/730166916.db2.gz FKGXXXIYARJCGY-OLZOCXBDSA-N 2 0 336.436 -0.286 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)C1 ZINC001027064613 730186041 /nfs/dbraw/zinc/18/60/41/730186041.db2.gz HYYPSIOMLRGOTP-QWHCGFSZSA-N 2 0 336.440 -0.612 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001027062860 730186178 /nfs/dbraw/zinc/18/61/78/730186178.db2.gz CTCSGMPXFKDRCA-STQMWFEESA-N 2 0 336.440 -0.469 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001027105478 730188589 /nfs/dbraw/zinc/18/85/89/730188589.db2.gz NBMHUHJOLGQXDB-AWEZNQCLSA-N 2 0 335.456 -0.120 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001027220048 730200095 /nfs/dbraw/zinc/20/00/95/730200095.db2.gz NMNFERBBNTUYGG-KGLIPLIRSA-N 2 0 337.424 -0.024 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001027220047 730200129 /nfs/dbraw/zinc/20/01/29/730200129.db2.gz NMNFERBBNTUYGG-KBPBESRZSA-N 2 0 337.424 -0.024 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](C[NH2+]Cc2cnon2)C1 ZINC001027220050 730200335 /nfs/dbraw/zinc/20/03/35/730200335.db2.gz NMNFERBBNTUYGG-ZIAGYGMSSA-N 2 0 337.424 -0.024 20 0 EBADRP O=C(NC[C@@H]1CCC[N@@H+]1CCN1CCNC1=O)C12CC[NH+](CC1)C2 ZINC001028264269 730278606 /nfs/dbraw/zinc/27/86/06/730278606.db2.gz CXAJOUMXIMIDIR-AWEZNQCLSA-N 2 0 335.452 -0.312 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001028545207 730311438 /nfs/dbraw/zinc/31/14/38/730311438.db2.gz CWHUOUBMKWIDLG-CYBMUJFWSA-N 2 0 336.440 -0.758 20 0 EBADRP O=C(NC[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1)C12CCC[NH+]1CCC2 ZINC001028658661 730333079 /nfs/dbraw/zinc/33/30/79/730333079.db2.gz BXBHSSGOKDBWQM-KBPBESRZSA-N 2 0 348.447 -0.142 20 0 EBADRP CN1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CCCNC2=O)C1 ZINC001029255487 730395329 /nfs/dbraw/zinc/39/53/29/730395329.db2.gz NOVHQUIIMKUZRT-LJISPDSOSA-N 2 0 336.436 -0.729 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CC[C@@H](C1)N2[C@H]1CCC(=O)NC1=O ZINC001029474426 730406953 /nfs/dbraw/zinc/40/69/53/730406953.db2.gz WHHBHKXZZQTVAG-XQLPTFJDSA-N 2 0 348.447 -0.049 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCCN2C(=O)CNC2=O)C1 ZINC001031585012 730737772 /nfs/dbraw/zinc/73/77/72/730737772.db2.gz OFHWBZVOPCPOCI-CYBMUJFWSA-N 2 0 337.424 -0.930 20 0 EBADRP O=C(NCC1C[NH+](CCN2CCNC2=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001031674813 730749499 /nfs/dbraw/zinc/74/94/99/730749499.db2.gz PWMYIKRPDXSINJ-OAHLLOKOSA-N 2 0 335.452 -0.599 20 0 EBADRP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001033665076 731058625 /nfs/dbraw/zinc/05/86/25/731058625.db2.gz LEZPCSAHFRUSHG-HZPDHXFCSA-N 2 0 335.452 -0.128 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)nc1=O ZINC001034777884 731156344 /nfs/dbraw/zinc/15/63/44/731156344.db2.gz MCWCBSDUKIFSHP-JOCQHMNTSA-N 2 0 348.451 -0.279 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001039760436 731523298 /nfs/dbraw/zinc/52/32/98/731523298.db2.gz MQOLMRQHEPFADK-YOEHRIQHSA-N 2 0 340.468 -0.641 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@](O)(CNC(=O)C[NH+](CC)CC)C1 ZINC001039785836 731533771 /nfs/dbraw/zinc/53/37/71/731533771.db2.gz MHWIAHJALBPEMF-QGZVFWFLSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[C@H](C(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC001040200559 731641410 /nfs/dbraw/zinc/64/14/10/731641410.db2.gz ISNRJVZXZOBEAA-CKEIUWERSA-N 2 0 340.468 -0.500 20 0 EBADRP CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)C[NH+](CC)CC)C1)[NH+](C)C ZINC001040360272 731713221 /nfs/dbraw/zinc/71/32/21/731713221.db2.gz VXQPQIRXHWJYCC-YOEHRIQHSA-N 2 0 342.484 -0.252 20 0 EBADRP CCC[NH+](C)CC(=O)N1CC[C@](O)(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001040447439 731737607 /nfs/dbraw/zinc/73/76/07/731737607.db2.gz RHCKCXPEHUJVLV-KRWDZBQOSA-N 2 0 342.484 -0.250 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@]1(O)CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001040449847 731738788 /nfs/dbraw/zinc/73/87/88/731738788.db2.gz MSAHORAJWXDNTA-QGZVFWFLSA-N 2 0 342.484 -0.252 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001061425387 738536682 /nfs/dbraw/zinc/53/66/82/738536682.db2.gz ATSFYVMLDSYJJC-HUUCEWRRSA-N 2 0 340.468 -0.236 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001061426441 738537056 /nfs/dbraw/zinc/53/70/56/738537056.db2.gz PBTACNZFDZBXTK-KBPBESRZSA-N 2 0 326.441 -0.624 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@](O)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001040900879 731910349 /nfs/dbraw/zinc/91/03/49/731910349.db2.gz BSDJVKJWTMYOQG-QGZVFWFLSA-N 2 0 342.484 -0.250 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1 ZINC001040921416 731919861 /nfs/dbraw/zinc/91/98/61/731919861.db2.gz BILUAKKNZGYYPW-YOEHRIQHSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)[C@H](CC)[NH+](C)C)C1)[NH+](C)C ZINC001040937532 731930309 /nfs/dbraw/zinc/93/03/09/731930309.db2.gz YUIBJUMEQWBMOW-ZQIUZPCESA-N 2 0 342.484 -0.254 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@@]3(CC[N@H+](CCO)C3)C2)cn1 ZINC001041735854 732209014 /nfs/dbraw/zinc/20/90/14/732209014.db2.gz JLURRZFGQPHZCT-QGZVFWFLSA-N 2 0 335.452 -0.025 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042103116 732312420 /nfs/dbraw/zinc/31/24/20/732312420.db2.gz BBOAGPLIXUJYMD-ZDUSSCGKSA-N 2 0 326.441 -0.888 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043116563 732766005 /nfs/dbraw/zinc/76/60/05/732766005.db2.gz PDGJQZYFNPHIRR-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001043117067 732766381 /nfs/dbraw/zinc/76/63/81/732766381.db2.gz SKSOXTVVGKFWPY-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001043261782 732847947 /nfs/dbraw/zinc/84/79/47/732847947.db2.gz QGJCLLJSROSLEP-ZIAGYGMSSA-N 2 0 340.468 -0.642 20 0 EBADRP C[N@H+](CC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[NH+]2C)C1)C1CCC1 ZINC001043529982 732993926 /nfs/dbraw/zinc/99/39/26/732993926.db2.gz DAGBNNWBUUTOPZ-CQSZACIVSA-N 2 0 338.452 -0.746 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001043613394 733024179 /nfs/dbraw/zinc/02/41/79/733024179.db2.gz UIJWAZDVDWZRRQ-ZDUSSCGKSA-N 2 0 340.468 -0.500 20 0 EBADRP C[NH+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001043627091 733031699 /nfs/dbraw/zinc/03/16/99/733031699.db2.gz ZLCVDZQQIVAIEL-CYBMUJFWSA-N 2 0 349.435 -0.913 20 0 EBADRP CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1)[NH+](C)C ZINC001043679296 733056634 /nfs/dbraw/zinc/05/66/34/733056634.db2.gz YIJLQVNXNQVQEP-ZIAGYGMSSA-N 2 0 342.484 -0.398 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001044291237 733360698 /nfs/dbraw/zinc/36/06/98/733360698.db2.gz OSNCCGWUQPJNLF-UHFFFAOYSA-N 2 0 328.457 -0.641 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001044291298 733361364 /nfs/dbraw/zinc/36/13/64/733361364.db2.gz PVLCTNYQTDEPLN-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)CC[NH+](C)CC)C1 ZINC001044301900 733367449 /nfs/dbraw/zinc/36/74/49/733367449.db2.gz ATSPBQPCUYBGPL-UHFFFAOYSA-N 2 0 328.457 -0.641 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001045388774 733683117 /nfs/dbraw/zinc/68/31/17/733683117.db2.gz DOCTZSKGBQDWAZ-STQMWFEESA-N 2 0 336.436 -0.144 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001045392600 733685050 /nfs/dbraw/zinc/68/50/50/733685050.db2.gz ZFWMVURAEQJEBY-UHFFFAOYSA-N 2 0 340.468 -0.642 20 0 EBADRP CN1CC[C@H]([NH+]2CCC(C)(NC(=O)[C@@H]3CN(C)CCO3)CC2)C1=O ZINC001045397524 733686357 /nfs/dbraw/zinc/68/63/57/733686357.db2.gz FKIGZDTWPQESKN-KBPBESRZSA-N 2 0 338.452 -0.482 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2(C)CC[NH+]([C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC001045639292 733743518 /nfs/dbraw/zinc/74/35/18/733743518.db2.gz GMYIWSQZEVHVCA-QWHCGFSZSA-N 2 0 336.436 -0.286 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC3(CO2)CC[NH+](CCO)CC3)C1 ZINC001045685070 733753812 /nfs/dbraw/zinc/75/38/12/733753812.db2.gz DTFWBXDKEDGDIS-HUUCEWRRSA-N 2 0 325.453 -0.082 20 0 EBADRP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001045720684 733759923 /nfs/dbraw/zinc/75/99/23/733759923.db2.gz VTPILYVSMJXQRW-UHFFFAOYSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001045720783 733759946 /nfs/dbraw/zinc/75/99/46/733759946.db2.gz XGRUAXAGAKECLW-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001046075893 733849947 /nfs/dbraw/zinc/84/99/47/733849947.db2.gz HRWBALCZXQWNJD-CABCVRRESA-N 2 0 349.479 -0.826 20 0 EBADRP C[C@H](O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001046076325 733850990 /nfs/dbraw/zinc/85/09/90/733850990.db2.gz LWYWVHMIWOMYAG-JKSUJKDBSA-N 2 0 336.480 -0.319 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[NH+](CCN2C(=O)CCC2=O)C1 ZINC001046196793 733875703 /nfs/dbraw/zinc/87/57/03/733875703.db2.gz GPANQBXFMPSQSD-DYVFJYSZSA-N 2 0 336.436 -0.190 20 0 EBADRP CC[C@H](C(=O)N1CC(O)(CNC(=O)CC[N@H+](C)CC)C1)[NH+](C)C ZINC001046525799 733954286 /nfs/dbraw/zinc/95/42/86/733954286.db2.gz UCPONWIRHRSYAW-CYBMUJFWSA-N 2 0 328.457 -0.642 20 0 EBADRP C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC001046777111 734025129 /nfs/dbraw/zinc/02/51/29/734025129.db2.gz RDJKYLZGHCSBKC-RDJZCZTQSA-N 2 0 347.463 -0.080 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001061862036 738791053 /nfs/dbraw/zinc/79/10/53/738791053.db2.gz PCGLAOUGLUWWSX-UONOGXRCSA-N 2 0 326.441 -0.767 20 0 EBADRP CC[C@H](C(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C)[NH+](C)C ZINC001061859348 738789616 /nfs/dbraw/zinc/78/96/16/738789616.db2.gz JXQDMBREGSJTIK-UONOGXRCSA-N 2 0 328.457 -0.378 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001061859594 738789784 /nfs/dbraw/zinc/78/97/84/738789784.db2.gz MSGQBYRNNYIJAP-AWEZNQCLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001061862399 738791424 /nfs/dbraw/zinc/79/14/24/738791424.db2.gz SRCSMPQJDMBIGW-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001061898112 738803219 /nfs/dbraw/zinc/80/32/19/738803219.db2.gz FKZRZIDBXDXLPQ-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H]([NH2+]Cc1nnnn1C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001048036664 734336738 /nfs/dbraw/zinc/33/67/38/734336738.db2.gz GGURYDXUMBLQCE-CHWSQXEVSA-N 2 0 333.440 -0.368 20 0 EBADRP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C[NH2+]Cc1nnnn1C ZINC001048277225 734379322 /nfs/dbraw/zinc/37/93/22/734379322.db2.gz KRLLDLLZVQUYJB-OLZOCXBDSA-N 2 0 335.456 -0.122 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048477870 734426226 /nfs/dbraw/zinc/42/62/26/734426226.db2.gz WTPPSTGYAWYSQS-OLZOCXBDSA-N 2 0 336.440 -0.612 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCC4)C[C@@H]3C2)CC[N@@H+]1C ZINC001048829788 734528526 /nfs/dbraw/zinc/52/85/26/734528526.db2.gz XNKZBEIWKKLAHG-LVQVYYBASA-N 2 0 334.464 -0.051 20 0 EBADRP CN(C(=O)C1([NH+](C)C)CCC1)[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001048984475 734600172 /nfs/dbraw/zinc/60/01/72/734600172.db2.gz KUNQGNUZWMFTDO-KBPBESRZSA-N 2 0 340.468 -0.548 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3C[NH+]([C@H]4CCNC4=O)C[C@@H]3C2)C1 ZINC001049059579 734630535 /nfs/dbraw/zinc/63/05/35/734630535.db2.gz VRPSXSCUPJCOMT-ZNMIVQPWSA-N 2 0 334.464 -0.003 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[NH+]([C@@H]4CCCNC4=O)C[C@@H]3C2)C1 ZINC001049170950 734674786 /nfs/dbraw/zinc/67/47/86/734674786.db2.gz GPQQVNXJCFGRBK-CAOSSQGBSA-N 2 0 334.464 -0.003 20 0 EBADRP CN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)C[C@@H]4CC[NH+](C)C4)C[C@H]3C2)C1=O ZINC001049172137 734675216 /nfs/dbraw/zinc/67/52/16/734675216.db2.gz TYSBWMUKFQUMFH-JONQDZQNSA-N 2 0 334.464 -0.051 20 0 EBADRP O=C(N1C[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001049173793 734675678 /nfs/dbraw/zinc/67/56/78/734675678.db2.gz HSHKTUPSZUFQNR-ZNMIVQPWSA-N 2 0 332.448 -0.249 20 0 EBADRP CN(C(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1)C1CC1 ZINC001049214071 734687470 /nfs/dbraw/zinc/68/74/70/734687470.db2.gz ZMHDNEDMEGNMCW-KFWWJZLASA-N 2 0 334.464 -0.051 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+]([C@@H]4CCC(=O)NC4=O)C[C@@H]3C2)C1 ZINC001049213866 734687703 /nfs/dbraw/zinc/68/77/03/734687703.db2.gz WTXPVUFYCNHTNM-IGQOVBAYSA-N 2 0 334.420 -0.867 20 0 EBADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001049216770 734688278 /nfs/dbraw/zinc/68/82/78/734688278.db2.gz HYPNNJSQQUBMAO-HZSPNIEDSA-N 2 0 334.420 -0.722 20 0 EBADRP CC[N@H+](C)CCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)C[C@@H]1O ZINC001049543077 734749923 /nfs/dbraw/zinc/74/99/23/734749923.db2.gz SFKOQBBVOMYROK-ILXRZTDVSA-N 2 0 340.468 -0.690 20 0 EBADRP CC[C@@H](C(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1O)[NH+](C)C ZINC001049578538 734758223 /nfs/dbraw/zinc/75/82/23/734758223.db2.gz ZVBRGNOHKKHKOX-AJNGGQMLSA-N 2 0 340.468 -0.692 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@H]1CCC(=O)NC1=O)CC2 ZINC001050461019 734903070 /nfs/dbraw/zinc/90/30/70/734903070.db2.gz CPLWCSCDEWKRHA-KBPBESRZSA-N 2 0 348.447 -0.190 20 0 EBADRP COc1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CCO2)nn1 ZINC001051493740 735196833 /nfs/dbraw/zinc/19/68/33/735196833.db2.gz QFIGINRYBHFMCR-GJZGRUSLSA-N 2 0 349.435 -0.104 20 0 EBADRP C[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001053035713 735741132 /nfs/dbraw/zinc/74/11/32/735741132.db2.gz XGULSEJTZLJXHR-GJZGRUSLSA-N 2 0 342.484 -0.273 20 0 EBADRP CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)[NH+](C)C ZINC001054297960 736187447 /nfs/dbraw/zinc/18/74/47/736187447.db2.gz CIVUTGVAFJOLNV-VNHYZAJKSA-N 2 0 338.452 -0.042 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001055405686 736344341 /nfs/dbraw/zinc/34/43/41/736344341.db2.gz JXVKTNDTCKCBNI-GASCZTMLSA-N 2 0 334.464 -0.049 20 0 EBADRP COCCC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001055477939 736350437 /nfs/dbraw/zinc/35/04/37/736350437.db2.gz WFEBHVWBWHQSPI-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP COCC(=O)NCC[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001055495572 736358279 /nfs/dbraw/zinc/35/82/79/736358279.db2.gz ZOLWLVRFNILSFQ-INIZCTEOSA-N 2 0 340.468 -0.330 20 0 EBADRP CO[C@@H](C)C(=O)NCC[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001055532801 736372467 /nfs/dbraw/zinc/37/24/67/736372467.db2.gz LZZBGMYDCQBKOC-ZDUSSCGKSA-N 2 0 328.457 -0.330 20 0 EBADRP CO[C@@H](C)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001055534514 736372878 /nfs/dbraw/zinc/37/28/78/736372878.db2.gz JIFVXAMIFJBCES-ZFWWWQNUSA-N 2 0 340.468 -0.188 20 0 EBADRP CCOCC(=O)NC1CC[NH+](CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001055577798 736391724 /nfs/dbraw/zinc/39/17/24/736391724.db2.gz BALNFNCQHCBBSX-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCC(NC(=O)c3cn[nH]c3)CC2)C1 ZINC001055578667 736392393 /nfs/dbraw/zinc/39/23/93/736392393.db2.gz SSPCVMZXRWWQDO-ZDUSSCGKSA-N 2 0 348.451 -0.328 20 0 EBADRP CCC(=O)NC1CC[NH+](CCNC(=O)COCC[NH+](C)C)CC1 ZINC001055602263 736401617 /nfs/dbraw/zinc/40/16/17/736401617.db2.gz WGEVFZKNFYJMBM-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP COCC(=O)NC1CC[NH+](CCNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001055644764 736419370 /nfs/dbraw/zinc/41/93/70/736419370.db2.gz CZPYFPQSBXSZCF-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001056104823 736643273 /nfs/dbraw/zinc/64/32/73/736643273.db2.gz HFKVNZSOTSNXRI-KRWDZBQOSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001057209740 737080360 /nfs/dbraw/zinc/08/03/60/737080360.db2.gz VWCNQFDDTGUZAG-ZIAGYGMSSA-N 2 0 326.441 -0.888 20 0 EBADRP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001057632941 737373353 /nfs/dbraw/zinc/37/33/53/737373353.db2.gz ASZQFXOLDVGVKE-CQSZACIVSA-N 2 0 328.457 -0.783 20 0 EBADRP C[NH+](C)CCCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001057635258 737374416 /nfs/dbraw/zinc/37/44/16/737374416.db2.gz AKGSBEUFVDTCNM-CQSZACIVSA-N 2 0 328.457 -0.783 20 0 EBADRP CC(C)[C@H](C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1)[NH+](C)C ZINC001057640445 737381413 /nfs/dbraw/zinc/38/14/13/737381413.db2.gz JCZSZGSLSCRTCM-MRXNPFEDSA-N 2 0 342.484 -0.395 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1)C1CC1 ZINC001057641690 737382047 /nfs/dbraw/zinc/38/20/47/737382047.db2.gz ATLSPNAUEVEEIW-INIZCTEOSA-N 2 0 340.468 -0.641 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057642440 737383928 /nfs/dbraw/zinc/38/39/28/737383928.db2.gz NITLJHCZOCWRCV-OAHLLOKOSA-N 2 0 340.468 -0.496 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC001057864048 737484907 /nfs/dbraw/zinc/48/49/07/737484907.db2.gz AHVFAVJIRHFYKV-CABCVRRESA-N 2 0 342.484 -0.539 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001057876088 737494953 /nfs/dbraw/zinc/49/49/53/737494953.db2.gz ATKOOEMTOWBPBQ-MRXNPFEDSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@H](C(=O)NCCN(CCO)C(=O)C[N@H+](C)C1CCC1)[NH+](C)C ZINC001057903656 737522485 /nfs/dbraw/zinc/52/24/85/737522485.db2.gz SHIZKYBQLJBLHL-OAHLLOKOSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N(CCO)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001057942323 737546205 /nfs/dbraw/zinc/54/62/05/737546205.db2.gz ASBJNLZWOPFANP-AWEZNQCLSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[C@@H](C(=O)NCCN(CCO)C(=O)C(C)(C)[N@H+](C)CC)[NH+](C)C ZINC001057942713 737546630 /nfs/dbraw/zinc/54/66/30/737546630.db2.gz RAOBEKJFZXNQLQ-AWEZNQCLSA-N 2 0 344.500 -0.006 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1 ZINC001058038600 737601148 /nfs/dbraw/zinc/60/11/48/737601148.db2.gz AEKDLNSNMOBIJV-HNNXBMFYSA-N 2 0 340.468 -0.496 20 0 EBADRP CC[C@@H](C(=O)N(CCO)CCNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001058168418 737690197 /nfs/dbraw/zinc/69/01/97/737690197.db2.gz DFUJTEFFBDPVGC-GJZGRUSLSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[C@H](C(=O)NCCN(CCO)C(=O)CCCC[NH+](C)C)[NH+](C)C ZINC001058237158 737726999 /nfs/dbraw/zinc/72/69/99/737726999.db2.gz SOXJTEFAJDDLIS-OAHLLOKOSA-N 2 0 344.500 -0.004 20 0 EBADRP CC(C)[C@H](C(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1)[NH+](C)C ZINC001058250913 737733707 /nfs/dbraw/zinc/73/37/07/737733707.db2.gz NPOZBIPNLZTFOQ-MRXNPFEDSA-N 2 0 342.484 -0.395 20 0 EBADRP C[NH+](C)CC1(C(=O)N(CCO)CCNC(=O)Cn2ccnc2)CC1 ZINC001058602035 737917502 /nfs/dbraw/zinc/91/75/02/737917502.db2.gz YRPBIBPWVILSMG-UHFFFAOYSA-N 2 0 337.424 -0.838 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)CCC[NH+](C)C ZINC001058610229 737920876 /nfs/dbraw/zinc/92/08/76/737920876.db2.gz DNRUBPIEWCREQI-UHFFFAOYSA-N 2 0 330.473 -0.393 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058710694 737961431 /nfs/dbraw/zinc/96/14/31/737961431.db2.gz KWSWDLSTVXLJFH-UHFFFAOYSA-N 2 0 330.473 -0.393 20 0 EBADRP CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)CCCC[NH+](C)C ZINC001058815402 738002785 /nfs/dbraw/zinc/00/27/85/738002785.db2.gz XVCBCZDZDVNYTN-UHFFFAOYSA-N 2 0 344.500 -0.003 20 0 EBADRP CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001058816116 738003223 /nfs/dbraw/zinc/00/32/23/738003223.db2.gz JPHRCHJVFKJHIP-MRXNPFEDSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)CCC[NH+](C)C ZINC001058816232 738003844 /nfs/dbraw/zinc/00/38/44/738003844.db2.gz OIYJGTQQKSGPJI-UHFFFAOYSA-N 2 0 330.473 -0.393 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001058845005 738024838 /nfs/dbraw/zinc/02/48/38/738024838.db2.gz BXOCKIUGLOICKB-OAHLLOKOSA-N 2 0 342.484 -0.393 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)C[NH+]1CCC[C@H]1C ZINC001058845869 738026978 /nfs/dbraw/zinc/02/69/78/738026978.db2.gz YIGFPHBLTMKKER-OAHLLOKOSA-N 2 0 342.484 -0.252 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCO)CCNC(=O)CCC[NH+](C)C ZINC001058849539 738032647 /nfs/dbraw/zinc/03/26/47/738032647.db2.gz XGCSGWWCTURFMF-CABCVRRESA-N 2 0 342.484 -0.537 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCO)CCNC(=O)CCC[NH+](C)C ZINC001058849540 738032740 /nfs/dbraw/zinc/03/27/40/738032740.db2.gz XGCSGWWCTURFMF-GJZGRUSLSA-N 2 0 342.484 -0.537 20 0 EBADRP C[NH+](C)CCOCC(=O)NC1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC001063107674 739061983 /nfs/dbraw/zinc/06/19/83/739061983.db2.gz BVJCCPWLPDJSIL-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001065256328 739616325 /nfs/dbraw/zinc/61/63/25/739616325.db2.gz JSELJCKKAFPENI-HUUCEWRRSA-N 2 0 340.468 -0.378 20 0 EBADRP CC[C@@H](C(=O)N1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001065374719 739681254 /nfs/dbraw/zinc/68/12/54/739681254.db2.gz QZCZUNJPDOQNPG-KBPBESRZSA-N 2 0 328.457 -0.378 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001065406651 739692862 /nfs/dbraw/zinc/69/28/62/739692862.db2.gz MUEIFPNTCHUYJT-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001065540038 739750433 /nfs/dbraw/zinc/75/04/33/739750433.db2.gz KHDANRKEWBQSGW-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1)[NH+](C)C ZINC001065572748 739769072 /nfs/dbraw/zinc/76/90/72/739769072.db2.gz WQNPQYCGTHPXRV-GDBMZVCRSA-N 2 0 342.484 -0.132 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065574595 739771213 /nfs/dbraw/zinc/77/12/13/739771213.db2.gz KHGWEPOPKNTGRA-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP C[NH+](C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)CO2 ZINC001068874637 740478107 /nfs/dbraw/zinc/47/81/07/740478107.db2.gz UPBFHOINWQTOIQ-KGLIPLIRSA-N 2 0 338.452 -0.624 20 0 EBADRP O=C(N[C@@H]1CN(CCO)C[C@@H]1n1ccnn1)c1ccn2c[nH+]cc2c1 ZINC001069970536 740639635 /nfs/dbraw/zinc/63/96/35/740639635.db2.gz LFUZZJJHVUSOSC-CABCVRRESA-N 2 0 341.375 -0.427 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070332455 740788818 /nfs/dbraw/zinc/78/88/18/740788818.db2.gz FIZQWVVWZBISNW-KFWWJZLASA-N 2 0 336.440 -0.514 20 0 EBADRP Cn1cncc1[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+]CCO ZINC001070655534 740911084 /nfs/dbraw/zinc/91/10/84/740911084.db2.gz QGUOYBWKDDPZKY-HUUCEWRRSA-N 2 0 335.452 -0.219 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(N)=O)C1)[NH+](C)C ZINC001070660914 740913729 /nfs/dbraw/zinc/91/37/29/740913729.db2.gz SNAGCWHPSNTJJQ-JHJVBQTASA-N 2 0 336.440 -0.870 20 0 EBADRP Cn1cncc1[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCO ZINC001070710599 740924492 /nfs/dbraw/zinc/92/44/92/740924492.db2.gz IWCJMUXLVFJATF-RBSFLKMASA-N 2 0 335.452 -0.362 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@H](NC(=O)COCC[NH+](C)C)[C@@H](C)C1 ZINC001072150968 741322393 /nfs/dbraw/zinc/32/23/93/741322393.db2.gz WJWSLIFBVNDKKU-GJZGRUSLSA-N 2 0 342.484 -0.131 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001072433701 741399146 /nfs/dbraw/zinc/39/91/46/741399146.db2.gz ZSDDAWDBVRNCEZ-HUUCEWRRSA-N 2 0 342.484 -0.132 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001072553668 741428857 /nfs/dbraw/zinc/42/88/57/741428857.db2.gz GWBCHYMNWYGBDK-CHWSQXEVSA-N 2 0 334.420 -0.580 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001072742984 741469804 /nfs/dbraw/zinc/46/98/04/741469804.db2.gz YAMOSFVPIRQQFP-LSDHHAIUSA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC3(C2)CC[NH+](CCN2CCNC2=O)C3)CC[N@@H+]1C ZINC001072752283 741473022 /nfs/dbraw/zinc/47/30/22/741473022.db2.gz CSBYWGXRUUELEM-HUUCEWRRSA-N 2 0 349.479 -0.114 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CC[NH+](CCN2C(=O)CNC2=O)C3)C1 ZINC001073425707 741612045 /nfs/dbraw/zinc/61/20/45/741612045.db2.gz FQECUMQPZLNEDY-ZDUSSCGKSA-N 2 0 349.435 -0.976 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CC[NH+](C[C@H](O)Cn2cccn2)C3)C1 ZINC001073429731 741612230 /nfs/dbraw/zinc/61/22/30/741612230.db2.gz RGTSQRIUPYSDCQ-HOTGVXAUSA-N 2 0 347.463 -0.270 20 0 EBADRP COCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073740056 741728593 /nfs/dbraw/zinc/72/85/93/741728593.db2.gz BDQFFWQXSLOBRZ-JKSUJKDBSA-N 2 0 343.468 -0.051 20 0 EBADRP C[NH+](C)CCC(=O)NCC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001074519993 741980230 /nfs/dbraw/zinc/98/02/30/741980230.db2.gz NOKVZZXEBNLVAQ-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@H]1[C@@H]([NH2+][C@@H]2CCNC2=O)CCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001074959519 742146555 /nfs/dbraw/zinc/14/65/55/742146555.db2.gz QZSJWDZBILJIQT-AEGPPILISA-N 2 0 348.451 -0.474 20 0 EBADRP C[C@@H](F)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014170 742695383 /nfs/dbraw/zinc/69/53/83/742695383.db2.gz GVOCGWPWGZAWGQ-BPLDGKMQSA-N 2 0 341.431 -0.032 20 0 EBADRP C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)NC(=O)COCC[NH+](C)C ZINC001077506041 743033811 /nfs/dbraw/zinc/03/38/11/743033811.db2.gz FCMOTRQAOWDNAB-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001077618910 743121207 /nfs/dbraw/zinc/12/12/07/743121207.db2.gz VFTHQASJOYMGNI-NUEKZKHPSA-N 2 0 325.453 -0.084 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2C[NH+](C[C@H]3CCOC3)C[C@H]2O)C1 ZINC001077685153 743172541 /nfs/dbraw/zinc/17/25/41/743172541.db2.gz BDQTXXUWZUVBFZ-RBSFLKMASA-N 2 0 325.453 -0.084 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C23CCC3)cn1 ZINC001078747644 743727928 /nfs/dbraw/zinc/72/79/28/743727928.db2.gz SRPFXWYLBUINRU-KBPBESRZSA-N 2 0 348.451 -0.439 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[N@H+](CCN2CCNC2=O)CC1 ZINC000981175528 806101588 /nfs/dbraw/zinc/10/15/88/806101588.db2.gz AMOQXWALUSAVIQ-INIZCTEOSA-N 2 0 349.479 -0.112 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)C1 ZINC000976868542 803921685 /nfs/dbraw/zinc/92/16/85/803921685.db2.gz MUSVENKVNMGRKN-LJIGWXMPSA-N 2 0 346.475 -0.003 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)C[C@H]32)C1 ZINC000977207460 804223392 /nfs/dbraw/zinc/22/33/92/804223392.db2.gz JASSSCGSXWLIMZ-NPCUJANDSA-N 2 0 334.464 -0.147 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)CC2(C)C)C1 ZINC000977599398 804406463 /nfs/dbraw/zinc/40/64/63/804406463.db2.gz LZPKCNJCJIZZLS-UONOGXRCSA-N 2 0 337.468 -0.210 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC000977944907 804577888 /nfs/dbraw/zinc/57/78/88/804577888.db2.gz UWADNOLLMUGRIF-APIJFGDWSA-N 2 0 348.447 -0.476 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCn4cncn4)C[C@H]32)CC[N@@H+]1C ZINC000978153711 804696642 /nfs/dbraw/zinc/69/66/42/804696642.db2.gz JJNSNSBIIRWUQO-QCODTGAPSA-N 2 0 332.452 -0.088 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCN4CCNC4=O)C[C@H]32)C1 ZINC000979089167 805130299 /nfs/dbraw/zinc/13/02/99/805130299.db2.gz RMMGKUFJLZXUOG-ZQDZILKHSA-N 2 0 335.452 -0.743 20 0 EBADRP Cn1nncc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000983715718 807086437 /nfs/dbraw/zinc/08/64/37/807086437.db2.gz IUYASPGXRQMPCJ-YXWQFLTLSA-N 2 0 348.451 -0.337 20 0 EBADRP Cn1ncnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000983717172 807088219 /nfs/dbraw/zinc/08/82/19/807088219.db2.gz YNDSNXUFECPPGO-AJNGGQMLSA-N 2 0 348.451 -0.337 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000984810151 807392550 /nfs/dbraw/zinc/39/25/50/807392550.db2.gz UHSCTYZYQSUJKA-FDYHWXHSSA-N 2 0 336.440 -0.710 20 0 EBADRP C[N@H+](C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1)[C@@H]1CCC(=O)NC1=O ZINC000985755996 807572978 /nfs/dbraw/zinc/57/29/78/807572978.db2.gz NJFROZFGWCHSQU-CQSZACIVSA-N 2 0 348.447 -0.190 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC000986547517 807731055 /nfs/dbraw/zinc/73/10/55/807731055.db2.gz FPYJENUFFMKZNG-AAEUAGOBSA-N 2 0 328.376 -0.055 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987354839 807898384 /nfs/dbraw/zinc/89/83/84/807898384.db2.gz FVAOSSXHVWGXHP-KBPBESRZSA-N 2 0 348.447 -0.190 20 0 EBADRP C[C@H]1[C@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987359052 807900158 /nfs/dbraw/zinc/90/01/58/807900158.db2.gz LXXLQIHAHSXJBN-UONOGXRCSA-N 2 0 335.452 -0.314 20 0 EBADRP C[C@H]1[C@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)C[NH+]1CCCC1 ZINC000987525594 807953567 /nfs/dbraw/zinc/95/35/67/807953567.db2.gz PFHNJGRLLILQJC-LSDHHAIUSA-N 2 0 338.452 -0.480 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000990519965 808822861 /nfs/dbraw/zinc/82/28/61/808822861.db2.gz UWJDODWYJPUTPH-PGMGQSNYSA-N 2 0 348.447 -0.729 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCN(C(=O)Cn2ccnc2)C[C@H]1O ZINC000991491355 809558560 /nfs/dbraw/zinc/55/85/60/809558560.db2.gz YFOQPUODXQCBID-ZIAGYGMSSA-N 2 0 335.408 -0.943 20 0 EBADRP O=C(N[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001009219282 810235663 /nfs/dbraw/zinc/23/56/63/810235663.db2.gz IEOAROKVFMASJO-HZPDHXFCSA-N 2 0 347.463 -0.080 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CCS(C)(=O)=O ZINC001214645715 810269112 /nfs/dbraw/zinc/26/91/12/810269112.db2.gz GILDWQNXEMPICL-BPLDGKMQSA-N 2 0 343.493 -0.191 20 0 EBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215536122 810334286 /nfs/dbraw/zinc/33/42/86/810334286.db2.gz JEAPHGBSLCKWBT-GRYCIOLGSA-N 2 0 325.413 -0.898 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001216400836 810371108 /nfs/dbraw/zinc/37/11/08/810371108.db2.gz AMNJBGPGTROKHC-TZMCWYRMSA-N 2 0 326.441 -0.720 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]CCc1ccnn1C ZINC001216401300 810371946 /nfs/dbraw/zinc/37/19/46/810371946.db2.gz IYVIGTUGVDVEIH-GDBMZVCRSA-N 2 0 337.468 -0.023 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216463228 810374939 /nfs/dbraw/zinc/37/49/39/810374939.db2.gz AOEZCUBHQFGYGJ-CHWSQXEVSA-N 2 0 341.456 -0.390 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NCC)C1 ZINC001216502999 810375361 /nfs/dbraw/zinc/37/53/61/810375361.db2.gz KNBKANFUIFYBTD-CHWSQXEVSA-N 2 0 341.456 -0.390 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001216839272 810394864 /nfs/dbraw/zinc/39/48/64/810394864.db2.gz PMPLPBXIGUXCLV-CHWSQXEVSA-N 2 0 339.440 -0.506 20 0 EBADRP CN(C)C(=O)[C@@H]([NH3+])Cc1ccc(O)c(O[C@H]2C[C@H]3C[NH2+]CCN3C2)c1 ZINC001218079150 810477762 /nfs/dbraw/zinc/47/77/62/810477762.db2.gz VPWYEKFRMHIRNY-KKUMJFAQSA-N 2 0 348.447 -0.225 20 0 EBADRP Cn1c(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)nnc1C(F)(F)F ZINC001218516265 810496437 /nfs/dbraw/zinc/49/64/37/810496437.db2.gz XNVIDTOMLBUGDK-MRVPVSSYSA-N 2 0 335.334 -0.477 20 0 EBADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)nc2)CC1 ZINC001218516078 810497016 /nfs/dbraw/zinc/49/70/16/810497016.db2.gz SZJIYAZHSAWMPN-AEGPPILISA-N 2 0 330.436 -0.278 20 0 EBADRP Nc1nonc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218541429 810499396 /nfs/dbraw/zinc/49/93/96/810499396.db2.gz GELKFWFVXIUPJS-IUCAKERBSA-N 2 0 325.373 -0.962 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218533765 810500281 /nfs/dbraw/zinc/50/02/81/810500281.db2.gz OTVPCHWSPDYNJM-GHMZBOCLSA-N 3 0 338.481 -0.352 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC001218551168 810500969 /nfs/dbraw/zinc/50/09/69/810500969.db2.gz HGXNHZUZLKNTDN-OAHLLOKOSA-N 2 0 348.451 -0.393 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1nccnc1N1CCOCC1 ZINC001218570552 810504655 /nfs/dbraw/zinc/50/46/55/810504655.db2.gz LTHYLYMBOGWCST-CYBMUJFWSA-N 2 0 349.439 -0.998 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1cncc(N2CCOCC2)n1 ZINC001218575040 810505591 /nfs/dbraw/zinc/50/55/91/810505591.db2.gz AKGLHONQKILZBS-ZDUSSCGKSA-N 2 0 349.439 -0.998 20 0 EBADRP CN1CCN(c2cc(NC(=O)[C@H]([NH3+])C3CC[NH2+]CC3)ncn2)CC1 ZINC001218572277 810505978 /nfs/dbraw/zinc/50/59/78/810505978.db2.gz HQQLVAFMLJDFKX-OAHLLOKOSA-N 2 0 333.440 -0.506 20 0 EBADRP Cn1nc(Br)cc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218583225 810507436 /nfs/dbraw/zinc/50/74/36/810507436.db2.gz OYXJMYXTLWFFMH-VIFPVBQESA-N 2 0 345.245 -0.129 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cnc(N2CCN(C)CC2)nc1 ZINC001218579368 810507683 /nfs/dbraw/zinc/50/76/83/810507683.db2.gz CSPHOQPSVCFTGN-AWEZNQCLSA-N 2 0 335.456 -0.116 20 0 EBADRP COC(=O)c1c[nH]c(C(=O)OC)c1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218596603 810508565 /nfs/dbraw/zinc/50/85/65/810508565.db2.gz KAAPFPPAFAOGCE-VIFPVBQESA-N 2 0 336.348 -0.665 20 0 EBADRP NC(=O)CC[C@H]([NH3+])CC(=O)N(c1ncccc1N)C1CC[NH2+]CC1 ZINC001218696570 810520749 /nfs/dbraw/zinc/52/07/49/810520749.db2.gz UZNJROJOWIQLNQ-NSHDSACASA-N 2 0 334.424 -0.268 20 0 EBADRP [NH3+]C1CCN(c2ccc(NC(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)cn2)CC1 ZINC001218725203 810523974 /nfs/dbraw/zinc/52/39/74/810523974.db2.gz TZWBVPHJMGCPJU-CQSZACIVSA-N 3 0 330.436 -0.243 20 0 EBADRP COC[C@H](C)Oc1cc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)[nH]n1 ZINC001218720924 810524052 /nfs/dbraw/zinc/52/40/52/810524052.db2.gz PDFNGDYUPMTYFB-JQWIXIFHSA-N 2 0 340.428 -0.488 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1cc2n(n1)CC(F)(F)CO2 ZINC001218751601 810526850 /nfs/dbraw/zinc/52/68/50/810526850.db2.gz LPJXBSRKSSPYAW-SNVBAGLBSA-N 2 0 344.366 -0.400 20 0 EBADRP C[NH2+]CCC(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218777010 810530445 /nfs/dbraw/zinc/53/04/45/810530445.db2.gz NWKPPKFLUWSJPJ-UWVGGRQHSA-N 2 0 342.831 -0.761 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC001218821714 810534084 /nfs/dbraw/zinc/53/40/84/810534084.db2.gz FIPHSOYTUMZDCV-HNNXBMFYSA-N 2 0 329.408 -0.044 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC001218873439 810538240 /nfs/dbraw/zinc/53/82/40/810538240.db2.gz KOKXPWNKBZXBPX-ZDUSSCGKSA-N 2 0 337.449 -0.420 20 0 EBADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@H]1C[NH2+]CCC1=O ZINC001218881839 810540082 /nfs/dbraw/zinc/54/00/82/810540082.db2.gz HSOHBKGKXCQZCS-ZDUSSCGKSA-N 2 0 330.388 -0.151 20 0 EBADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001218880399 810540413 /nfs/dbraw/zinc/54/04/13/810540413.db2.gz WXFSKHYGGUKNAN-VBNZEHGJSA-N 2 0 343.431 -0.380 20 0 EBADRP N[C@]1(C(=O)Nc2ccccc2C(=O)N2CC[NH2+]CC2)CCC[NH2+]C1 ZINC001218881986 810540617 /nfs/dbraw/zinc/54/06/17/810540617.db2.gz JKVHIQUOHFPORN-QGZVFWFLSA-N 2 0 331.420 -0.249 20 0 EBADRP CN(C)S(=O)(=O)c1ccccc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218894666 810542644 /nfs/dbraw/zinc/54/26/44/810542644.db2.gz TUFFRKOCQBDIBI-NSHDSACASA-N 2 0 338.433 -0.316 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C2)cn1 ZINC001015827464 810595932 /nfs/dbraw/zinc/59/59/32/810595932.db2.gz RJNXVNVEKYGCSW-HNNXBMFYSA-N 2 0 346.439 -0.460 20 0 EBADRP [NH3+][C@@H]1CCCN(c2ccc(NC(=O)[C@H]3COC4(C[NH2+]C4)CN3)cc2)C1 ZINC001219233411 810625473 /nfs/dbraw/zinc/62/54/73/810625473.db2.gz NXJCDTWMLGPXJN-CZUORRHYSA-N 2 0 345.447 -0.117 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@@H]([NH3+])CCC[NH3+])NC(=O)[C@@]21CC[NH2+]C1 ZINC001219497414 810721777 /nfs/dbraw/zinc/72/17/77/810721777.db2.gz CBIXAWFJYFBPAO-APPDUMDISA-N 3 0 347.419 -0.117 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@@H]([NH3+])[C@@H](C)O)NC(=O)[C@]21CC[NH2+]C1 ZINC001219498375 810722304 /nfs/dbraw/zinc/72/23/04/810722304.db2.gz XLULVHUUOACQBC-GOJPBDGNSA-N 2 0 334.376 -0.475 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219501301 810724147 /nfs/dbraw/zinc/72/41/47/810724147.db2.gz TXXSHDTZLYWRRN-HXEOFFAUSA-N 2 0 346.387 -0.460 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@@H]1C[C@@H]([NH3+])CN1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219504416 810726762 /nfs/dbraw/zinc/72/67/62/810726762.db2.gz TXPWIINFQIAQKF-JEIZZZKLSA-N 2 0 345.403 -0.494 20 0 EBADRP NC(=O)NCCC[C@H]([NH3+])C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2 ZINC001219534453 810740954 /nfs/dbraw/zinc/74/09/54/810740954.db2.gz YIALMNAFUAKQFS-OUJBWJOFSA-N 2 0 333.392 -0.151 20 0 EBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001219616762 810771423 /nfs/dbraw/zinc/77/14/23/810771423.db2.gz CLCNRRSOFDLKEQ-BFJAYTPKSA-N 2 0 329.416 -0.286 20 0 EBADRP [NH3+]C1(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CCC2(CC1)OCCO2 ZINC001219619624 810774093 /nfs/dbraw/zinc/77/40/93/810774093.db2.gz LTWMRTSENOCLFQ-SMDDNHRTSA-N 2 0 331.388 -0.820 20 0 EBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1cccnc1N1CC[NH2+]CC1 ZINC001219624700 810776523 /nfs/dbraw/zinc/77/65/23/810776523.db2.gz PVARKCMZUXMWLN-XJKSGUPXSA-N 2 0 337.399 -0.717 20 0 EBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]2Cn3cnnc3C23CC[NH2+]CC3)C1 ZINC001219638574 810782988 /nfs/dbraw/zinc/78/29/88/810782988.db2.gz NLQYKZIINYNVKN-MELADBBJSA-N 2 0 332.452 -0.109 20 0 EBADRP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)C1 ZINC001219637833 810783160 /nfs/dbraw/zinc/78/31/60/810783160.db2.gz IAHGAPGETBLJBC-RWMBFGLXSA-N 2 0 333.440 -0.714 20 0 EBADRP [NH3+][C@H](CCC(=O)OCc1ccccc1)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219697316 810800216 /nfs/dbraw/zinc/80/02/16/810800216.db2.gz RXABAUXLKAVSMJ-CQSZACIVSA-N 2 0 335.404 -0.322 20 0 EBADRP COc1ccc2c(C[C@H]([NH3+])C(=O)N[C@@H]3COC[C@@H]3[NH3+])cc(=O)oc2c1 ZINC001219720044 810808128 /nfs/dbraw/zinc/80/81/28/810808128.db2.gz FFPLDFALXIVGFU-MELADBBJSA-N 2 0 347.371 -0.486 20 0 EBADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219739443 810819113 /nfs/dbraw/zinc/81/91/13/810819113.db2.gz OQCZYKBEMCJEBY-CABCVRRESA-N 2 0 346.431 -0.833 20 0 EBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001219748747 810823918 /nfs/dbraw/zinc/82/39/18/810823918.db2.gz AIJFLVQMCJCXOM-GFCCVEGCSA-N 2 0 334.424 -0.454 20 0 EBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)C1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001219749745 810824187 /nfs/dbraw/zinc/82/41/87/810824187.db2.gz QLTXFYBHHZYWIM-CQSZACIVSA-N 2 0 347.467 -0.539 20 0 EBADRP O=C(C[C@H]1CO[C@]2(C1)CCC[NH2+]C2)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219765067 810831845 /nfs/dbraw/zinc/83/18/45/810831845.db2.gz UARCJXASYSARHS-CBZIJGRNSA-N 2 0 336.480 -0.055 20 0 EBADRP O=C(NC[C@]1(F)CCC[NH2+]C1)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219768229 810832757 /nfs/dbraw/zinc/83/27/57/810832757.db2.gz LJBIPQZPOXRSOL-RISCZKNCSA-N 2 0 337.403 -0.868 20 0 EBADRP O=C(NC[C@]1(F)CCC[NH2+]C1)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219769402 810833051 /nfs/dbraw/zinc/83/30/51/810833051.db2.gz VYMCZUOZUZDISE-DOMZBBRYSA-N 2 0 336.415 -0.263 20 0 EBADRP O=C(NC[C@@]1(F)CCC[NH2+]C1)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219767922 810833957 /nfs/dbraw/zinc/83/39/57/810833957.db2.gz HZBWQWBMDXYZRL-SWLSCSKDSA-N 2 0 347.456 -0.391 20 0 EBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC[C@]2(F)CCC[NH2+]C2)COC1(C)C ZINC001219771303 810835664 /nfs/dbraw/zinc/83/56/64/810835664.db2.gz KVIJQJIMNCEMKA-PGUXBMHVSA-N 2 0 330.404 -0.495 20 0 EBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NC2CC3(C2)CC[NH2+]CC3)COC1(C)C ZINC001219779483 810838544 /nfs/dbraw/zinc/83/85/44/810838544.db2.gz HEVRSYZVBYJQDI-AAEUAGOBSA-N 2 0 338.452 -0.055 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001219792016 810841879 /nfs/dbraw/zinc/84/18/79/810841879.db2.gz YEZCTBQGOROMHI-OCCSQVGLSA-N 3 0 325.482 -0.267 20 0 EBADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001219791183 810843178 /nfs/dbraw/zinc/84/31/78/810843178.db2.gz ODQZOFPLNWSBAK-VNQPRFMTSA-N 2 0 334.420 -0.135 20 0 EBADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)c1cnc2n1CCNC2 ZINC001219798051 810846373 /nfs/dbraw/zinc/84/63/73/810846373.db2.gz MLVFTMYBVPZEQJ-UHFFFAOYSA-N 2 0 332.452 -0.068 20 0 EBADRP O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001219801142 810849344 /nfs/dbraw/zinc/84/93/44/810849344.db2.gz UKRWFKCBSDKVQK-ARFHVFGLSA-N 2 0 336.480 -0.055 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCc1cc(=O)n2c(n1)CNCCC2 ZINC001219807235 810853674 /nfs/dbraw/zinc/85/36/74/810853674.db2.gz ANIYJVILHIVERY-LBPRGKRZSA-N 2 0 336.440 -0.801 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001219824023 810861336 /nfs/dbraw/zinc/86/13/36/810861336.db2.gz XFURKTLEVSJTBL-SNVBAGLBSA-N 2 0 332.451 -0.771 20 0 EBADRP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219822482 810862750 /nfs/dbraw/zinc/86/27/50/810862750.db2.gz CXVPNNBEPBLRIL-GHMZBOCLSA-N 2 0 341.458 -0.215 20 0 EBADRP Cn1nccc1CC[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830245 810865356 /nfs/dbraw/zinc/86/53/56/810865356.db2.gz SRZCUXYBCMVQMR-OIISXLGYSA-N 2 0 349.479 -0.002 20 0 EBADRP O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)c1cccnc1N1CC[NH2+]CC1 ZINC001219833337 810868455 /nfs/dbraw/zinc/86/84/55/810868455.db2.gz CCJDLVGTDAHFAD-NFAWXSAZSA-N 2 0 331.420 -0.402 20 0 EBADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@H]1CCC2(C[NH2+]C2)O1 ZINC001219833236 810868836 /nfs/dbraw/zinc/86/88/36/810868836.db2.gz AXCMXHMYGOEWEM-XJKCOSOUSA-N 2 0 325.409 -0.981 20 0 EBADRP C[NH2+][C@@H]1CCCN(CC(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)C1 ZINC001219837984 810870750 /nfs/dbraw/zinc/87/07/50/810870750.db2.gz NKICMAKDPCBAMT-UXLLHSPISA-N 2 0 340.468 -0.819 20 0 EBADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1noc2c1C[NH2+]CC2 ZINC001219844558 810874952 /nfs/dbraw/zinc/87/49/52/810874952.db2.gz NYHVRVXLHAEKGL-BDJLRTHQSA-N 2 0 336.392 -0.555 20 0 EBADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@H]1NC2=O ZINC001219856345 810880387 /nfs/dbraw/zinc/88/03/87/810880387.db2.gz JBOFYWOJWOSKOT-CQJMVSDSSA-N 2 0 342.399 -0.798 20 0 EBADRP O=C(N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)[C@@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001219854669 810880459 /nfs/dbraw/zinc/88/04/59/810880459.db2.gz PHZMHMYGTWEBAG-FEUKOJMOSA-N 2 0 342.399 -0.801 20 0 EBADRP COCCn1c(=O)ccc2c1CC[C@@H](NC(=O)C[NH2+]CCC[NH3+])C2 ZINC001219899465 810900881 /nfs/dbraw/zinc/90/08/81/810900881.db2.gz WUJSLYFVLUJDFI-CQSZACIVSA-N 2 0 336.436 -0.593 20 0 EBADRP O=C(N[C@]12C[C@H]1CN(C(=O)c1ccco1)C2)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219901318 810901248 /nfs/dbraw/zinc/90/12/48/810901248.db2.gz HKTCKCGYPIRUOR-DECQCQTCSA-N 2 0 344.415 -0.191 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN([C@H]2CCCNC2=O)C[C@@H]1O ZINC001219902384 810902374 /nfs/dbraw/zinc/90/23/74/810902374.db2.gz ALBWHECOAJRDSI-AGIUHOORSA-N 2 0 326.441 -0.843 20 0 EBADRP Cn1c(=O)[nH]c(=O)c(N=O)c1NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219984238 810936432 /nfs/dbraw/zinc/93/64/32/810936432.db2.gz APISQAHVMBDASV-QMMMGPOBSA-N 2 0 336.352 -0.304 20 0 EBADRP Cn1c(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)c(N=O)c(=O)[nH]c1=O ZINC001219984765 810937654 /nfs/dbraw/zinc/93/76/54/810937654.db2.gz XSKRLPZPLDMPIH-QMMMGPOBSA-N 2 0 326.357 -0.119 20 0 EBADRP COC(=O)C1(NC(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001220001269 810941408 /nfs/dbraw/zinc/94/14/08/810941408.db2.gz OILOTUOBIXUJFF-KBPBESRZSA-N 2 0 338.452 -0.528 20 0 EBADRP COC(=O)C1(NC(=O)[C@H]2CO[C@@]3(C2)CCC[NH2+]CC3)CC[NH2+]CC1 ZINC001220001768 810941817 /nfs/dbraw/zinc/94/18/17/810941817.db2.gz XBQYIKWSQLJYBT-CJNGLKHVSA-N 2 0 339.436 -0.053 20 0 EBADRP COC(=O)[C@@H](NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C1CCOCC1 ZINC001220025571 810953044 /nfs/dbraw/zinc/95/30/44/810953044.db2.gz RVPSEGFVAVAKNW-KBPBESRZSA-N 2 0 339.436 -0.055 20 0 EBADRP CC(C)(C)OC(=O)C1(NC(=O)[C@H]2C[NH2+]C[C@@H]2O)CCC([NH3+])CC1 ZINC001220039932 810957039 /nfs/dbraw/zinc/95/70/39/810957039.db2.gz YWEWEVRQSAIANW-SLMGRZLQSA-N 2 0 327.425 -0.335 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)NCC(=O)NCC(=O)OCc1ccccc1 ZINC001220104974 810982743 /nfs/dbraw/zinc/98/27/43/810982743.db2.gz QQKQRWRYOXMIDL-CYBMUJFWSA-N 2 0 336.392 -0.972 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCCCCCCN1C(=O)C=CC1=O ZINC001220127348 810992704 /nfs/dbraw/zinc/99/27/04/810992704.db2.gz QPUBQOHUWGEZMQ-LBPRGKRZSA-N 2 0 342.465 -0.393 20 0 EBADRP CC(C)(C)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220217331 811020255 /nfs/dbraw/zinc/02/02/55/811020255.db2.gz VWDGIOQJZOAHQT-IHRRRGAJSA-N 2 0 342.484 -0.043 20 0 EBADRP CCOC(=O)CC[C@H](NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)C(=O)OCC ZINC001220230316 811027683 /nfs/dbraw/zinc/02/76/83/811027683.db2.gz IPUZVBRZQXNLCU-RYUDHWBXSA-N 2 0 341.408 -0.813 20 0 EBADRP CC(C)COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220234026 811028935 /nfs/dbraw/zinc/02/89/35/811028935.db2.gz QWKBLNWJVHRIHY-XHSDSOJGSA-N 2 0 345.484 -0.477 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC2(C[NH+](CCO)C2)CC1 ZINC001035851986 811042023 /nfs/dbraw/zinc/04/20/23/811042023.db2.gz CGEYJNWXZKGEHF-HNNXBMFYSA-N 2 0 325.453 -0.129 20 0 EBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220321197 811056961 /nfs/dbraw/zinc/05/69/61/811056961.db2.gz SOCNMEZJCBNJFS-YCPHGPKFSA-N 2 0 326.441 -0.353 20 0 EBADRP N[C@@H](C[NH3+])C(=O)N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220354363 811068773 /nfs/dbraw/zinc/06/87/73/811068773.db2.gz QPDZMHOHSFCUTH-KKUMJFAQSA-N 2 0 334.420 -0.152 20 0 EBADRP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)CC[C@H]1[NH2+]CC(N)=O ZINC001036039917 811080651 /nfs/dbraw/zinc/08/06/51/811080651.db2.gz QODWIRLEKPYKQP-CHWSQXEVSA-N 2 0 336.440 -0.630 20 0 EBADRP [NH3+][C@H](C(=O)Nc1ncc(Br)[nH]c1=O)C1CC[NH2+]CC1 ZINC001220398823 811094851 /nfs/dbraw/zinc/09/48/51/811094851.db2.gz OFCPNVWWIKZMML-QMMMGPOBSA-N 2 0 330.186 -0.202 20 0 EBADRP C[C@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CC[C@H]1[NH2+]CC(N)=O ZINC001036212664 811119913 /nfs/dbraw/zinc/11/99/13/811119913.db2.gz YWIASOSIAKSEHZ-GXTWGEPZSA-N 2 0 336.440 -0.630 20 0 EBADRP [NH3+][C@H](CNC(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2)c1ccccc1 ZINC001220501228 811127937 /nfs/dbraw/zinc/12/79/37/811127937.db2.gz OKSCZJVBRKMRJT-ZIAGYGMSSA-N 2 0 341.419 -0.260 20 0 EBADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1[NH2+]Cc1nnnn1C ZINC001036268505 811131995 /nfs/dbraw/zinc/13/19/95/811131995.db2.gz RVAZYRMVETXZNB-QWHCGFSZSA-N 2 0 333.440 -0.368 20 0 EBADRP COC(=O)c1ncc(=O)[nH]c1NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220514286 811133275 /nfs/dbraw/zinc/13/32/75/811133275.db2.gz DREXEWBKBBQTHF-SECBINFHSA-N 2 0 335.364 -0.219 20 0 EBADRP CN(CC[NH3+])CCNC(=O)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@H]1NC2=O ZINC001220517639 811133907 /nfs/dbraw/zinc/13/39/07/811133907.db2.gz UKZJUFNFHTYMKD-LSDHHAIUSA-N 2 0 331.420 -0.894 20 0 EBADRP CN(CC[NH3+])CCNC(=O)[C@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001220517579 811134391 /nfs/dbraw/zinc/13/43/91/811134391.db2.gz RKINOJJRKAKQAK-QGZVFWFLSA-N 2 0 345.491 -0.285 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)[NH3+])CC[NH2+]C1 ZINC001220524044 811138589 /nfs/dbraw/zinc/13/85/89/811138589.db2.gz XPZRIXQHPDOIAO-GWCFXTLKSA-N 2 0 338.408 -0.749 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]C[C@@H]2OC(C)=O)CC[NH2+]C1 ZINC001220523523 811139178 /nfs/dbraw/zinc/13/91/78/811139178.db2.gz RCNWSELIEWEDRY-YPMHNXCESA-N 2 0 325.365 -0.936 20 0 EBADRP CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220565905 811158204 /nfs/dbraw/zinc/15/82/04/811158204.db2.gz USDXDOANCHQGQC-ZIAGYGMSSA-N 2 0 332.404 -0.519 20 0 EBADRP [NH3+]CC(=O)NCC(=O)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001220607752 811177728 /nfs/dbraw/zinc/17/77/28/811177728.db2.gz OOJKFZMSHPYADD-SNVBAGLBSA-N 2 0 329.198 -0.360 20 0 EBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220637935 811184683 /nfs/dbraw/zinc/18/46/83/811184683.db2.gz OKJYYBLDBFNDET-IMJJTQAJSA-N 2 0 341.452 -0.705 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001220688983 811204628 /nfs/dbraw/zinc/20/46/28/811204628.db2.gz YNVXYRINXCKLKI-ZNMIVQPWSA-N 2 0 340.468 -0.594 20 0 EBADRP COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001220769772 811234497 /nfs/dbraw/zinc/23/44/97/811234497.db2.gz QSAVDZMDCNZJJF-KBPBESRZSA-N 2 0 339.440 -0.320 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@@H]1O ZINC001220768268 811235099 /nfs/dbraw/zinc/23/50/99/811235099.db2.gz DCFYTDREWSSVLC-XHSDSOJGSA-N 2 0 343.468 -0.457 20 0 EBADRP NC(=O)NCCC[C@H]([NH3+])C(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220786024 811240148 /nfs/dbraw/zinc/24/01/48/811240148.db2.gz KMWUCVRTCDDNEZ-HZSPNIEDSA-N 2 0 334.424 -0.376 20 0 EBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220788099 811242333 /nfs/dbraw/zinc/24/23/33/811242333.db2.gz BUGMUFFCBKINIW-YCPHGPKFSA-N 2 0 331.420 -0.283 20 0 EBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220805714 811248481 /nfs/dbraw/zinc/24/84/81/811248481.db2.gz UVWHNXBDQPMWCV-KXUCPTDWSA-N 2 0 342.387 -0.203 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@@H]1O ZINC001220817052 811252791 /nfs/dbraw/zinc/25/27/91/811252791.db2.gz MDULOWLFWRSYEH-CVEARBPZSA-N 2 0 337.468 -0.144 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](O)COCC(C)C)C[C@@H]1O ZINC001220822075 811255271 /nfs/dbraw/zinc/25/52/71/811255271.db2.gz NFKMGDUTGDXZDF-XHSDSOJGSA-N 2 0 345.484 -0.477 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCc1c[nH]c2cc[nH+]cc12 ZINC001220868813 811274267 /nfs/dbraw/zinc/27/42/67/811274267.db2.gz VGECPOIDRIUDQF-OAHLLOKOSA-N 3 0 330.436 -0.028 20 0 EBADRP [NH3+]CCN=c1ccc(Br)cn1C(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001220870641 811275971 /nfs/dbraw/zinc/27/59/71/811275971.db2.gz NORMJRWPTZGPBO-NXEZZACHSA-N 2 0 329.198 -0.670 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CC(N)=O)C2)cn1 ZINC001036841309 811282845 /nfs/dbraw/zinc/28/28/45/811282845.db2.gz UPWHAHCGRVFTIM-UKRRQHHQSA-N 2 0 348.451 -0.534 20 0 EBADRP COC(=O)C[C@H](NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)c1ccccn1 ZINC001220900728 811288964 /nfs/dbraw/zinc/28/89/64/811288964.db2.gz OQARRNVQVCHASK-ZFWWWQNUSA-N 2 0 349.435 -0.448 20 0 EBADRP O=C(N[C@@H]1CCN(C(=O)c2ccncc2)C1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220920607 811294959 /nfs/dbraw/zinc/29/49/59/811294959.db2.gz GICMCIZWCWHMIV-IIDMSEBBSA-N 2 0 343.431 -0.389 20 0 EBADRP O=C(NCCO[C@@H]1CC[NH2+]C1)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1NC2=O ZINC001220939657 811302245 /nfs/dbraw/zinc/30/22/45/811302245.db2.gz RLYQEFWKJUTKHG-KCXAZCMYSA-N 2 0 344.415 -0.406 20 0 EBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N(c1ccncn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220941418 811305048 /nfs/dbraw/zinc/30/50/48/811305048.db2.gz QXPNRBWFNZRQDW-JHJVBQTASA-N 2 0 349.439 -0.145 20 0 EBADRP CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220960047 811311949 /nfs/dbraw/zinc/31/19/49/811311949.db2.gz GFLWMOJGWKPVNP-MCIONIFRSA-N 2 0 339.436 -0.055 20 0 EBADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)CC1 ZINC001221006756 811340283 /nfs/dbraw/zinc/34/02/83/811340283.db2.gz MFPULLYMQYHSPG-AYMQEEERSA-N 2 0 337.468 -0.957 20 0 EBADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)CC1 ZINC001221006368 811340317 /nfs/dbraw/zinc/34/03/17/811340317.db2.gz FNHSLYONXBRZAP-YYFQZIEXSA-N 2 0 337.468 -0.959 20 0 EBADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)C2(N)CC[NH2+]CC2)CC1 ZINC001221006265 811341092 /nfs/dbraw/zinc/34/10/92/811341092.db2.gz DLBZTRNGRNFYOD-JOCQHMNTSA-N 2 0 325.457 -0.828 20 0 EBADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CCN3)CC1 ZINC001221006758 811341185 /nfs/dbraw/zinc/34/11/85/811341185.db2.gz MFPULLYMQYHSPG-WBOJAVRRSA-N 2 0 337.468 -0.957 20 0 EBADRP COCCC1(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CCS(=O)(=O)CC1 ZINC001221025912 811350982 /nfs/dbraw/zinc/35/09/82/811350982.db2.gz LXMIDCPRPKGWTH-ZDUSSCGKSA-N 2 0 347.481 -0.587 20 0 EBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001221056376 811356248 /nfs/dbraw/zinc/35/62/48/811356248.db2.gz PRZLVDNDRXIUEZ-KKUMJFAQSA-N 2 0 338.452 -0.304 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)C[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001221188019 811409977 /nfs/dbraw/zinc/40/99/77/811409977.db2.gz MQBCBSFBLSUKBJ-DVOMOZLQSA-N 2 0 327.425 -0.068 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C ZINC001221188163 811411430 /nfs/dbraw/zinc/41/14/30/811411430.db2.gz QBRHJCYQISFDAK-SRVKXCTJSA-N 2 0 330.429 -0.739 20 0 EBADRP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001221248151 811425782 /nfs/dbraw/zinc/42/57/82/811425782.db2.gz LAUDNWHHQZJQLO-UKRRQHHQSA-N 2 0 341.477 -0.198 20 0 EBADRP Cn1ncc2c1cccc2CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001221305708 811437454 /nfs/dbraw/zinc/43/74/54/811437454.db2.gz GVVARXSVMTWGGS-HNNXBMFYSA-N 2 0 330.436 -0.060 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCC[C@H]1CO ZINC001221309205 811438141 /nfs/dbraw/zinc/43/81/41/811438141.db2.gz KULBQSFPGQBTPF-AJNGGQMLSA-N 2 0 340.468 -0.289 20 0 EBADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1F)c1cnn2c1nccc2[C@H]1C[NH2+]CCO1 ZINC001221369047 811447570 /nfs/dbraw/zinc/44/75/70/811447570.db2.gz JYBGRTSGEDOTMT-YRGRVCCFSA-N 2 0 348.382 -0.180 20 0 EBADRP O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001221410071 811451759 /nfs/dbraw/zinc/45/17/59/811451759.db2.gz PVXRWEUAIZXVDP-KGLIPLIRSA-N 2 0 345.451 -0.572 20 0 EBADRP O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001221408313 811452301 /nfs/dbraw/zinc/45/23/01/811452301.db2.gz IHXCJQCREAPIMD-OLZOCXBDSA-N 2 0 327.450 -0.733 20 0 EBADRP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](CCn3cccn3)C[C@H]21 ZINC001221950714 811567954 /nfs/dbraw/zinc/56/79/54/811567954.db2.gz VCYYHYYNKXRPPT-HZPDHXFCSA-N 2 0 335.452 -0.006 20 0 EBADRP [NH3+]CCNC(=O)c1cccc(CN2CCOC[C@@]3(C[NH2+]CCO3)C2)c1 ZINC001222191513 811608199 /nfs/dbraw/zinc/60/81/99/811608199.db2.gz MNOXBXKUVSTJAW-GOSISDBHSA-N 2 0 348.447 -0.434 20 0 EBADRP CS(=O)(=O)N1CCC(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)CC1 ZINC001222491794 811635586 /nfs/dbraw/zinc/63/55/86/811635586.db2.gz IGDBXFRYWYYXPY-GJZGRUSLSA-N 2 0 330.498 -0.316 20 0 EBADRP C[C@@H]1CNCC(F)(F)[C@@H]1C[N@@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001222520834 811637183 /nfs/dbraw/zinc/63/71/83/811637183.db2.gz LGMIOKXKEPTKGC-LALPHHSUSA-N 2 0 328.407 -0.111 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](CCOCCO)[C@H]3C2)C1 ZINC001224129622 811746362 /nfs/dbraw/zinc/74/63/62/811746362.db2.gz JXWLPCMZYGUKGU-PMPSAXMXSA-N 2 0 325.453 -0.130 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001224546622 811764445 /nfs/dbraw/zinc/76/44/45/811764445.db2.gz OBXXZGFORRGMQV-WCQYABFASA-N 2 0 339.440 -0.793 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC1CC[NH+](CC(=O)N2CCC2)CC1 ZINC001225154586 811795903 /nfs/dbraw/zinc/79/59/03/811795903.db2.gz BWDCPORHKNAHLX-UHFFFAOYSA-N 2 0 340.468 -0.375 20 0 EBADRP CCCNC(=O)C[NH+]1CCC(CNC(=O)COCC[NH+](C)C)CC1 ZINC001225154780 811796265 /nfs/dbraw/zinc/79/62/65/811796265.db2.gz IWGWKJFMZFFKRM-UHFFFAOYSA-N 2 0 342.484 -0.081 20 0 EBADRP C[NH+](C)CC1(C(=O)NC2CC[NH+](CCN3CCNC3=O)CC2)CC1 ZINC001228888694 812001936 /nfs/dbraw/zinc/00/19/36/812001936.db2.gz JOBFQQABYRCSSF-UHFFFAOYSA-N 2 0 337.468 -0.066 20 0 EBADRP CC(=O)NCCOCC[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001229008678 812009311 /nfs/dbraw/zinc/00/93/11/812009311.db2.gz UBPIWHSEAXIWRS-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001229232254 812021973 /nfs/dbraw/zinc/02/19/73/812021973.db2.gz ZMDGKCHSCGTRJW-VXGBXAGGSA-N 2 0 327.429 -0.460 20 0 EBADRP CC[NH+](CC)CC(=O)NC1CC[NH+](C[C@H](O)COCCOC)CC1 ZINC001229678917 812049870 /nfs/dbraw/zinc/04/98/70/812049870.db2.gz NMSFOLMHAYXWGF-INIZCTEOSA-N 2 0 345.484 -0.067 20 0 EBADRP CC[NH+](CC)CC(=O)NC1CC[NH+](CCN(C)S(C)(=O)=O)CC1 ZINC001229679249 812049954 /nfs/dbraw/zinc/04/99/54/812049954.db2.gz UYJUAXKIDYLXNL-UHFFFAOYSA-N 2 0 348.513 -0.200 20 0 EBADRP Cn1ncnc1CN[C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229709507 812050481 /nfs/dbraw/zinc/05/04/81/812050481.db2.gz GJSARZSIVWJLCF-ZIAGYGMSSA-N 2 0 338.456 -0.090 20 0 EBADRP CN(C)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C ZINC001229709729 812050564 /nfs/dbraw/zinc/05/05/64/812050564.db2.gz JQCDBPYSJFYIEH-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP COCCOCC[NH+]1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001230048565 812071425 /nfs/dbraw/zinc/07/14/25/812071425.db2.gz HZRLRKAXVURBRH-UHFFFAOYSA-N 2 0 331.457 -0.192 20 0 EBADRP COCCOC[C@H](O)C[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001230267992 812095279 /nfs/dbraw/zinc/09/52/79/812095279.db2.gz UXNUFPXOGLDVGP-MRXNPFEDSA-N 2 0 343.468 -0.313 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001230366757 812108379 /nfs/dbraw/zinc/10/83/79/812108379.db2.gz GMRDHHSMXJXBTR-UHFFFAOYSA-N 2 0 339.440 -0.541 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC(CO)(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001080778294 812224652 /nfs/dbraw/zinc/22/46/52/812224652.db2.gz BZJOXOMWWSRHPW-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[C@@H](C(=O)NC1(CO)CCN(C(=O)CC[NH+](C)C)CC1)[NH+](C)C ZINC001080919741 812356989 /nfs/dbraw/zinc/35/69/89/812356989.db2.gz OKSJWZIZBNWOMW-AWEZNQCLSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC(CO)(NC(=O)CC[NH+](C)C)CC1 ZINC001080989455 812427896 /nfs/dbraw/zinc/42/78/96/812427896.db2.gz XLDUMAUDMVZQMA-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP O=C1CCC[C@]2(C[NH2+]CCN(Cc3cnc4n3CC[NH2+]CC4)C2)N1 ZINC001235177653 812473828 /nfs/dbraw/zinc/47/38/28/812473828.db2.gz RYMFQRVLQLUMPO-QGZVFWFLSA-N 2 0 332.452 -0.527 20 0 EBADRP CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CC[N@H+](CCCC[NH3+])C2 ZINC001235547958 812497483 /nfs/dbraw/zinc/49/74/83/812497483.db2.gz ULZYLMMETGURMN-KRWDZBQOSA-N 2 0 348.451 -0.201 20 0 EBADRP c1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc(N2CCOCC2)n1 ZINC001235869581 812513607 /nfs/dbraw/zinc/51/36/07/812513607.db2.gz CQGFTTCIERTYRA-UHFFFAOYSA-N 2 0 348.495 -0.497 20 0 EBADRP CN(C)c1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])c(F)n1 ZINC001236311200 812516627 /nfs/dbraw/zinc/51/66/27/812516627.db2.gz FTKJOLWJFIIOLO-UHFFFAOYSA-N 2 0 340.447 -0.098 20 0 EBADRP COC(=O)c1csc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])n1 ZINC001236315746 812517104 /nfs/dbraw/zinc/51/71/04/812517104.db2.gz RLNXOBDMFGKCRX-UHFFFAOYSA-N 2 0 343.453 -0.455 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cccc(-n2cncn2)c1 ZINC001236311865 812517419 /nfs/dbraw/zinc/51/74/19/812517419.db2.gz NHVZNJQKVVHLES-UHFFFAOYSA-N 2 0 345.451 -0.117 20 0 EBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238243724 812525466 /nfs/dbraw/zinc/52/54/66/812525466.db2.gz VKCHBFUHUXZCTD-CQSZACIVSA-N 3 0 330.498 -0.220 20 0 EBADRP CCOC(=O)C1(CNS(=O)(=O)CC2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001238698448 812531053 /nfs/dbraw/zinc/53/10/53/812531053.db2.gz ZMLMRZFFSGWCMZ-UHFFFAOYSA-N 2 0 347.481 -0.162 20 0 EBADRP CCOC(=O)[C@H]1CC2(CN1S(=O)(=O)[C@@H]1CC[NH2+]C1)CC[NH2+]CC2 ZINC001239000818 812538955 /nfs/dbraw/zinc/53/89/55/812538955.db2.gz OQFVZXXZWLFFQG-CHWSQXEVSA-N 2 0 345.465 -0.315 20 0 EBADRP Cc1noc(C)c1NC(=O)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001239295194 812550796 /nfs/dbraw/zinc/55/07/96/812550796.db2.gz GRLYQXGPSQOPMF-UHFFFAOYSA-N 2 0 326.401 -0.061 20 0 EBADRP [NH3+][C@@H]1CCN(c2ncccc2NC[C@@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001245959805 812556281 /nfs/dbraw/zinc/55/62/81/812556281.db2.gz WXLIIJMHLDQEDD-KGLIPLIRSA-N 2 0 335.452 -0.104 20 0 EBADRP O[C@@H](C[NH2+]C[C@@]12CCCO[C@@H]1CC[NH2+]C2)CC1(O)CC[NH2+]CC1 ZINC001245982789 812557714 /nfs/dbraw/zinc/55/77/14/812557714.db2.gz JXVQUPKWBYSGGW-OAGGEKHMSA-N 3 0 327.469 -0.400 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]CC1(O)CC[NH2+]CC1 ZINC001245982197 812557726 /nfs/dbraw/zinc/55/77/26/812557726.db2.gz FIVMBGAKXUDJMI-LSDHHAIUSA-N 3 0 329.391 -0.100 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CCO)CC[NH2+]C1 ZINC001245996464 812557954 /nfs/dbraw/zinc/55/79/54/812557954.db2.gz RDUVLOJASCBFQG-XHSDSOJGSA-N 2 0 329.391 -0.100 20 0 EBADRP [NH3+]CCNCC[NH2+]C[C@H](O)[C@H](c1ccc(F)cc1F)n1cncn1 ZINC001246007286 812558564 /nfs/dbraw/zinc/55/85/64/812558564.db2.gz JNISQCPWEKMHHU-GJZGRUSLSA-N 2 0 340.378 -0.356 20 0 EBADRP COCCC1(C[NH2+]C[C@@H](O)CC2(O)CC[NH2+]CC2)CC[NH2+]CC1 ZINC001246006680 812558727 /nfs/dbraw/zinc/55/87/27/812558727.db2.gz RRYAXWIXQHRLFJ-HNNXBMFYSA-N 3 0 329.485 -0.152 20 0 EBADRP O[C@@H](CN1CC[NH2+]C[C@@]2(CCCCN2)C1)CC1(O)CC[NH2+]CC1 ZINC001246024263 812559893 /nfs/dbraw/zinc/55/98/93/812559893.db2.gz DXJKJJTYBJVURU-CVEARBPZSA-N 2 0 326.485 -0.731 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001246033715 812560837 /nfs/dbraw/zinc/56/08/37/812560837.db2.gz ORFPMSADSHLPFM-IPMKNSEASA-N 2 0 349.475 -0.002 20 0 EBADRP C[NH+](C)CCN(C[C@H](O)CC1(O)CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001246061732 812562003 /nfs/dbraw/zinc/56/20/03/812562003.db2.gz ZYPPRARYQJXFAU-JKSUJKDBSA-N 3 0 328.501 -0.533 20 0 EBADRP COC(=O)[C@@H](NC1C[C@H]2CC(C(=O)OC)C[C@@H](C1)[NH2+]2)C(C)(C)[NH3+] ZINC001246124110 812564248 /nfs/dbraw/zinc/56/42/48/812564248.db2.gz CSNMUFZBIZODCT-APSDNXJZSA-N 2 0 327.425 -0.073 20 0 EBADRP O=S(=O)(CC[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2)N1CCNCC1 ZINC001246103721 812564687 /nfs/dbraw/zinc/56/46/87/812564687.db2.gz WMLSHKYVRBBJIF-CQSZACIVSA-N 2 0 330.498 -0.267 20 0 EBADRP CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CC[NH2+]CC2)CN1 ZINC001246107916 812565252 /nfs/dbraw/zinc/56/52/52/812565252.db2.gz IXZSYNKNKQXHLB-OLZOCXBDSA-N 2 0 326.441 -0.530 20 0 EBADRP O=C([C@@H]1C[C@H](NC[C@]23C[NH2+]C[C@H]2COC3)C[NH2+]1)N1CCSC1 ZINC001246136815 812566106 /nfs/dbraw/zinc/56/61/06/812566106.db2.gz WPONARJPNDCXCV-ABHRYQDASA-N 2 0 326.466 -0.925 20 0 EBADRP O=C([C@@H]1C[C@@H](N[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)C[NH2+]1)N1CCSC1 ZINC001246153906 812567475 /nfs/dbraw/zinc/56/74/75/812567475.db2.gz ZEYCZXVFZAISDK-IKOXMDCHSA-N 2 0 326.466 -0.641 20 0 EBADRP [NH3+]CCOCCOCCOCCOCC[NH2+][C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246217817 812568217 /nfs/dbraw/zinc/56/82/17/812568217.db2.gz XMSBDTBBIYKCDL-BJWYYQGGSA-N 3 0 345.484 -0.401 20 0 EBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCCOCCOCCOCCC[NH3+])CN1 ZINC001246200429 812568451 /nfs/dbraw/zinc/56/84/51/812568451.db2.gz ARAIHVBGKZEOTO-CABCVRRESA-N 2 0 347.456 -0.732 20 0 EBADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCOCCOCCOCC[NH3+])CN1 ZINC001246290062 812569316 /nfs/dbraw/zinc/56/93/16/812569316.db2.gz PAXKUGLUCYCJRY-CABCVRRESA-N 2 0 347.456 -0.732 20 0 EBADRP CCOC(=O)C[C@H]([NH2+][C@@H]1CN[C@@H](C(=O)OC)C1)C1CC[NH2+]CC1 ZINC001246231494 812569448 /nfs/dbraw/zinc/56/94/48/812569448.db2.gz UVBDDDMCSLUZLJ-MELADBBJSA-N 2 0 327.425 -0.199 20 0 EBADRP CCC(CC)[C@@H]([NH2+][C@@H]1CNC(=O)C1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001246410821 812571952 /nfs/dbraw/zinc/57/19/52/812571952.db2.gz MJKHKZZZNJJZTO-YPHJTZHRSA-N 2 0 341.452 -0.233 20 0 EBADRP [NH3+]C[C@]1(O)CCCCN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C1 ZINC001246563433 812574832 /nfs/dbraw/zinc/57/48/32/812574832.db2.gz UUHYSIAHARMDQV-KCQAQPDRSA-N 2 0 328.482 -0.575 20 0 EBADRP O=C([C@@H]1C[C@@H](N2CCNC3(CC[NH2+]CC3)C2)C[NH2+]1)N1CCSC1 ZINC001246604892 812576365 /nfs/dbraw/zinc/57/63/65/812576365.db2.gz OGSNBJYJTVXLQM-KGLIPLIRSA-N 2 0 339.509 -0.723 20 0 EBADRP O=C([C@@H]1C[C@H](N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)C[NH2+]1)N1CCSC1 ZINC001246625387 812577625 /nfs/dbraw/zinc/57/76/25/812577625.db2.gz RFHJRARCVUYMSB-ZOBORPQBSA-N 2 0 326.466 -0.830 20 0 EBADRP CCOC(=O)[C@@]12C[N@@H+]([C@H]3CN[C@@H](C(=O)OC)C3)C[C@@H]1CC[NH2+]CC2 ZINC001246683270 812580429 /nfs/dbraw/zinc/58/04/29/812580429.db2.gz QIGWDPHGJDMZIY-CFAJVAMVSA-N 2 0 339.436 -0.245 20 0 EBADRP Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CC[N@@H+]3[C@H]2CCNC3(C[NH2+]C3)C2)cn1 ZINC001246723971 812583350 /nfs/dbraw/zinc/58/33/50/812583350.db2.gz SDZQDTRXSLKQPN-XHSDSOJGSA-N 2 0 344.463 -0.197 20 0 EBADRP C[C@H]1CC[C@@H](N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)C[NH2+]1 ZINC001246740196 812584868 /nfs/dbraw/zinc/58/48/68/812584868.db2.gz UZZLVOPUYOCSSY-QWHCGFSZSA-N 2 0 341.481 -0.069 20 0 EBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN([C@@H]1CCC[NH2+]C1)CC2 ZINC001246731331 812584958 /nfs/dbraw/zinc/58/49/58/812584958.db2.gz WDFKGFFGSPYONC-MRXNPFEDSA-N 2 0 337.512 -0.091 20 0 EBADRP C[C@@H]1C[C@H](N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)CC[NH2+]1 ZINC001246736658 812585005 /nfs/dbraw/zinc/58/50/05/812585005.db2.gz NIPACKMQTKQBBY-CHWSQXEVSA-N 2 0 341.481 -0.069 20 0 EBADRP [NH3+]CCCNC(=O)C[N@H+](CCC[NH3+])C1CCC2(CC1)OCCO2 ZINC001246924750 812593326 /nfs/dbraw/zinc/59/33/26/812593326.db2.gz JMJIHLNLSUOMHA-UHFFFAOYSA-N 2 0 328.457 -0.212 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001246925813 812593388 /nfs/dbraw/zinc/59/33/88/812593388.db2.gz PRWVJTONUIHCNZ-KGLIPLIRSA-N 3 0 325.457 -0.744 20 0 EBADRP O=C(N[C@H]1CCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1)N1CCOCC1 ZINC001246966064 812593795 /nfs/dbraw/zinc/59/37/95/812593795.db2.gz VOBMZYJLRBMTLH-GJZGRUSLSA-N 2 0 337.468 -0.413 20 0 EBADRP CCOC(=O)[C@@H]1C[N@@H+]([C@H]2CCN[C@H](C(=O)OC)C2)CCC12C[NH2+]C2 ZINC001247006368 812596316 /nfs/dbraw/zinc/59/63/16/812596316.db2.gz JAHWRWJSJMMHKA-IHRRRGAJSA-N 2 0 339.436 -0.245 20 0 EBADRP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3C[C@H](O)CO)CC1 ZINC001252059492 812645015 /nfs/dbraw/zinc/64/50/15/812645015.db2.gz YJPZVTYDYRQVBC-ARFHVFGLSA-N 2 0 325.453 -0.253 20 0 EBADRP C[NH+](C)CCN1CC[N@@H+](C2CCN(S(C)(=O)=O)CC2)CCC1=O ZINC001257240468 812757753 /nfs/dbraw/zinc/75/77/53/812757753.db2.gz WGBCHVDKAWBLRU-UHFFFAOYSA-N 2 0 346.497 -0.494 20 0 EBADRP COC(=O)[C@@H]1CC[C@@H](NC(=[NH2+])NCCCC[NH3+])C[C@H]1C(=O)OC ZINC001257722753 812771035 /nfs/dbraw/zinc/77/10/35/812771035.db2.gz RIBWVFZNFMCIIK-IJLUTSLNSA-N 2 0 328.413 -0.030 20 0 EBADRP COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+]C[C@@H](C[NH3+])C(=O)OC ZINC001257920066 812773950 /nfs/dbraw/zinc/77/39/50/812773950.db2.gz RXZPMTOGEXMBGO-WDEREUQCSA-N 2 0 338.426 -0.920 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)CS(C)(=O)=O ZINC001260588693 812839144 /nfs/dbraw/zinc/83/91/44/812839144.db2.gz SRASEVXZVJDSHY-UHFFFAOYSA-N 2 0 343.515 -0.476 20 0 EBADRP CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC001261435048 812906080 /nfs/dbraw/zinc/90/60/80/812906080.db2.gz HNNICNIZCHVAHR-LSDHHAIUSA-N 2 0 348.451 -0.726 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001261633119 812955082 /nfs/dbraw/zinc/95/50/82/812955082.db2.gz WZFTVBSIEMTVAA-KBPBESRZSA-N 2 0 326.441 -0.712 20 0 EBADRP OC[C@@H]1C[NH+](CCCCCC[N@@H+]2CC[C@H](O)[C@H](CO)C2)CC[C@@H]1O ZINC001261660150 812960535 /nfs/dbraw/zinc/96/05/35/812960535.db2.gz GHKQVQFXRSVGDW-XSLAGTTESA-N 2 0 344.496 -0.103 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001262034209 813029600 /nfs/dbraw/zinc/02/96/00/813029600.db2.gz WCDONWCLKHTKPM-FPMFFAJLSA-N 2 0 326.441 -0.666 20 0 EBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)CC1 ZINC001262078753 813034455 /nfs/dbraw/zinc/03/44/55/813034455.db2.gz UJMTWZKHYLDPGD-OAHLLOKOSA-N 2 0 337.468 -0.826 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081500152 813077215 /nfs/dbraw/zinc/07/72/15/813077215.db2.gz ROXQLAHMCVPUIC-LSDHHAIUSA-N 2 0 340.468 -0.642 20 0 EBADRP C[NH+](C)CCCC(=O)N1C[C@H](O)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081502882 813086121 /nfs/dbraw/zinc/08/61/21/813086121.db2.gz LBBVBUDGYPNKER-CABCVRRESA-N 2 0 340.468 -0.641 20 0 EBADRP CN(C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1(C[NH3+])CCOCC1 ZINC001262544798 813091609 /nfs/dbraw/zinc/09/16/09/813091609.db2.gz KRMZBSXKVCANIV-UONOGXRCSA-N 2 0 338.452 -0.304 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC001262587993 813098327 /nfs/dbraw/zinc/09/83/27/813098327.db2.gz RVYHCDXYSCILEF-TZMCWYRMSA-N 2 0 325.457 -0.116 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CCSC1 ZINC001263095415 813107109 /nfs/dbraw/zinc/10/71/09/813107109.db2.gz LPDFJLNZIVZCHT-IUODEOHRSA-N 2 0 328.482 -0.263 20 0 EBADRP CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001263102881 813107428 /nfs/dbraw/zinc/10/74/28/813107428.db2.gz HHZDDFMRXZQHIA-MRXNPFEDSA-N 2 0 341.500 -0.380 20 0 EBADRP CC(=O)NCCOCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001264173107 813161279 /nfs/dbraw/zinc/16/12/79/813161279.db2.gz XWNWBEFTSUYELF-BMFZPTHFSA-N 2 0 340.468 -0.330 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081553709 813167783 /nfs/dbraw/zinc/16/77/83/813167783.db2.gz MIWJKVAFMNFKHR-KGLIPLIRSA-N 2 0 328.457 -0.786 20 0 EBADRP C[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001081564025 813189746 /nfs/dbraw/zinc/18/97/46/813189746.db2.gz FKWBGMNTEHYMSO-ZFWWWQNUSA-N 2 0 340.468 -0.642 20 0 EBADRP C[C@@H](O)C[NH+]1CCN(CCCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001265253430 813276903 /nfs/dbraw/zinc/27/69/03/813276903.db2.gz PSIZFLBXRRZHIS-CVEARBPZSA-N 2 0 326.485 -0.167 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001265508232 813333404 /nfs/dbraw/zinc/33/34/04/813333404.db2.gz AEQVGOGXBNAFLJ-YXSUXZIUSA-N 2 0 346.497 -0.355 20 0 EBADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001265566301 813341335 /nfs/dbraw/zinc/34/13/35/813341335.db2.gz CUCJZVQAXWQWKN-GRYCIOLGSA-N 2 0 325.413 -0.885 20 0 EBADRP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001265566584 813341370 /nfs/dbraw/zinc/34/13/70/813341370.db2.gz KBBQTLDPFDOVNC-MBNYWOFBSA-N 2 0 339.440 -0.639 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1O ZINC001081703389 813442635 /nfs/dbraw/zinc/44/26/35/813442635.db2.gz PWCGRBFKVPBGLY-HUUCEWRRSA-N 2 0 342.484 -0.395 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001266079962 813452631 /nfs/dbraw/zinc/45/26/31/813452631.db2.gz XBSWANZLMIMAMN-UONOGXRCSA-N 2 0 348.513 -0.107 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C1CC1)[C@@H]1CCC(=O)NC1=O ZINC001266125568 813462527 /nfs/dbraw/zinc/46/25/27/813462527.db2.gz FMSTTZNYXLIALQ-ZIAGYGMSSA-N 2 0 336.436 -0.144 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081773640 813537115 /nfs/dbraw/zinc/53/71/15/813537115.db2.gz DNHMPDZDIAQKCJ-KGLIPLIRSA-N 2 0 328.457 -0.785 20 0 EBADRP CC(=O)NCCOCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001266339452 813538645 /nfs/dbraw/zinc/53/86/45/813538645.db2.gz QLMJNHXEBFWONS-INIZCTEOSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@H](O)C1 ZINC001081775067 813544267 /nfs/dbraw/zinc/54/42/67/813544267.db2.gz WVPPSIOGAAWKMT-HUUCEWRRSA-N 2 0 342.484 -0.395 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]([NH2+]CCOCCO)C1 ZINC001266566019 813610905 /nfs/dbraw/zinc/61/09/05/813610905.db2.gz YFWDYOYXTZEYAM-CABCVRRESA-N 2 0 329.441 -0.846 20 0 EBADRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001266601464 813619621 /nfs/dbraw/zinc/61/96/21/813619621.db2.gz CUCJZVQAXWQWKN-IJLUTSLNSA-N 2 0 325.413 -0.885 20 0 EBADRP CC[C@H](C(=O)N(C)CC[NH2+][C@@H]1CCC(=O)NC1=O)[NH+](CC)CC ZINC001266833980 813680185 /nfs/dbraw/zinc/68/01/85/813680185.db2.gz CBINEASBBXFPTQ-CHWSQXEVSA-N 2 0 326.441 -0.040 20 0 EBADRP CC[C@H](C(=O)N(C)CC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)[NH+](C)C ZINC001266989095 813721857 /nfs/dbraw/zinc/72/18/57/813721857.db2.gz SDNITEHJPUSIOD-ZIAGYGMSSA-N 2 0 348.513 -0.344 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001267012375 813733585 /nfs/dbraw/zinc/73/35/85/813733585.db2.gz KHDCAOGZBXAIQN-QWHCGFSZSA-N 2 0 339.440 -0.541 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CC[NH2+]CC(=O)N1CCOCC1 ZINC001267110010 813761773 /nfs/dbraw/zinc/76/17/73/813761773.db2.gz PHIJRROYEDTDOS-GASCZTMLSA-N 2 0 340.468 -0.234 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)NC(=O)NCC ZINC001267380088 813867075 /nfs/dbraw/zinc/86/70/75/813867075.db2.gz HHJOVPGPUSZHFE-ZDUSSCGKSA-N 2 0 341.456 -0.246 20 0 EBADRP CC(=O)NCCOCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267616409 813954607 /nfs/dbraw/zinc/95/46/07/813954607.db2.gz LAWPLQDFKBZEKE-HZPDHXFCSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C)C(N)=O ZINC001082798461 814009375 /nfs/dbraw/zinc/00/93/75/814009375.db2.gz VPJVELPJROJJCR-MBNYWOFBSA-N 2 0 336.440 -0.631 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCNS(C)(=O)=O)[NH+](C)C ZINC001267969567 814079340 /nfs/dbraw/zinc/07/93/40/814079340.db2.gz JNHCONZIDJAVCK-OLZOCXBDSA-N 2 0 334.486 -0.544 20 0 EBADRP CN(CC[N@H+](C)CCN1C(=O)CNC1=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001268247217 814157069 /nfs/dbraw/zinc/15/70/69/814157069.db2.gz JIJJVULSSCLYLV-UHFFFAOYSA-N 2 0 339.440 -0.730 20 0 EBADRP C[C@H](CC[NH2+]CCNS(C)(=O)=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268393940 814231787 /nfs/dbraw/zinc/23/17/87/814231787.db2.gz KIWFUXOWWDMDAV-OLZOCXBDSA-N 2 0 334.486 -0.496 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268556717 814290265 /nfs/dbraw/zinc/29/02/65/814290265.db2.gz QPIMQEGJPPLZOW-ITKZLYELSA-N 2 0 325.413 -0.812 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C/C=C\CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268591259 814308289 /nfs/dbraw/zinc/30/82/89/814308289.db2.gz PQCLILOSDOLUCF-MVZIDQBPSA-N 2 0 325.413 -0.954 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]CC(=O)NCC(F)(F)F)C1 ZINC001268626036 814325057 /nfs/dbraw/zinc/32/50/57/814325057.db2.gz LYNCUEANJLWMMA-VUDBWIFFSA-N 2 0 336.358 -0.121 20 0 EBADRP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]CC(=O)NC1CCOCC1 ZINC001268624467 814325258 /nfs/dbraw/zinc/32/52/58/814325258.db2.gz COYXPVPFTOAHKS-UPHRSURJSA-N 2 0 338.452 -0.361 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001268795385 814388539 /nfs/dbraw/zinc/38/85/39/814388539.db2.gz ISNGGXORZMXYSU-OLZOCXBDSA-N 2 0 341.456 -0.118 20 0 EBADRP CN(CCC[NH2+]CC(=O)N1CCOCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268915721 814441113 /nfs/dbraw/zinc/44/11/13/814441113.db2.gz PKSHJTJPDZKPFH-OAHLLOKOSA-N 2 0 340.468 -0.375 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001268920836 814443031 /nfs/dbraw/zinc/44/30/31/814443031.db2.gz XRULPPWJBKIWAI-STQMWFEESA-N 2 0 343.472 -0.145 20 0 EBADRP CN(CCC[NH2+]CCN(C)S(C)(=O)=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268946620 814453218 /nfs/dbraw/zinc/45/32/18/814453218.db2.gz QNRIRQKXCFPWEH-ZDUSSCGKSA-N 2 0 334.486 -0.732 20 0 EBADRP CN(C)C(=O)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)C(N)=[NH2+])C2 ZINC001268996158 814467570 /nfs/dbraw/zinc/46/75/70/814467570.db2.gz JBGWQIWLEABTCH-INIZCTEOSA-N 2 0 338.456 -0.786 20 0 EBADRP COCCOC[N@H+]1CC[C@H]2CN(C(=O)CN(C)C(N)=[NH2+])C[C@H]2CC1 ZINC001268996940 814467667 /nfs/dbraw/zinc/46/76/67/814467667.db2.gz RAADVEGMPSTPNG-OKILXGFUSA-N 2 0 341.456 -0.397 20 0 EBADRP CS(=O)(=O)CC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001269135998 814547306 /nfs/dbraw/zinc/54/73/06/814547306.db2.gz RTPACCJRJPIWAD-ZDUSSCGKSA-N 2 0 329.466 -0.389 20 0 EBADRP CC(C)=CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654941 814665412 /nfs/dbraw/zinc/66/54/12/814665412.db2.gz NFBOIAPSRWLJDV-OWQJAQGESA-N 2 0 335.448 -0.023 20 0 EBADRP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](O)C1 ZINC001083783302 815603337 /nfs/dbraw/zinc/60/33/37/815603337.db2.gz KOSHNIPFZXCHAX-XKQJLSEDSA-N 2 0 335.448 -0.054 20 0 EBADRP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001083832936 815638263 /nfs/dbraw/zinc/63/82/63/815638263.db2.gz BBXGDWTYVMSWQZ-XHSDSOJGSA-N 2 0 325.453 -0.084 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]CCNS(C)(=O)=O ZINC001270436934 815777497 /nfs/dbraw/zinc/77/74/97/815777497.db2.gz UBKXWWHTJZSCQH-CHWSQXEVSA-N 2 0 334.486 -0.638 20 0 EBADRP C[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001084714021 815966424 /nfs/dbraw/zinc/96/64/24/815966424.db2.gz KIRVSBJUDAEONN-IIAWOOMASA-N 2 0 335.452 -0.028 20 0 EBADRP O=C(N1C[C@H]2CC[N@H+](CCn3cncn3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001084778404 815981423 /nfs/dbraw/zinc/98/14/23/815981423.db2.gz WGCZSBKJIYLTKQ-HUUCEWRRSA-N 2 0 330.436 -0.093 20 0 EBADRP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@](O)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001271210968 816037101 /nfs/dbraw/zinc/03/71/01/816037101.db2.gz UZRNZBOPSGRCNC-WMLDXEAASA-N 2 0 342.484 -0.252 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(N)=O)cn1 ZINC001085359402 816043490 /nfs/dbraw/zinc/04/34/90/816043490.db2.gz CUMFJRFBGLBTNR-ZIAGYGMSSA-N 2 0 336.440 -0.439 20 0 EBADRP Cn1[nH]c(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[N@H+](C)C2)nc1=O ZINC001085422206 816048484 /nfs/dbraw/zinc/04/84/84/816048484.db2.gz KZGOGHWZIKFMRB-YNEHKIRRSA-N 2 0 336.440 -0.423 20 0 EBADRP O=C(NC[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001086087060 816225941 /nfs/dbraw/zinc/22/59/41/816225941.db2.gz NYDRBOMBCSYOQT-BEAPCOKYSA-N 2 0 348.447 -0.382 20 0 EBADRP CC[NH+]1CCN(CC(=O)N2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)CC1 ZINC001271906124 816248586 /nfs/dbraw/zinc/24/85/86/816248586.db2.gz VPCJPLNMPTYTLA-DLBZAZTESA-N 2 0 337.512 -0.282 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)n1 ZINC001086369099 816309144 /nfs/dbraw/zinc/30/91/44/816309144.db2.gz PWVJVMZOCGOARY-IHRRRGAJSA-N 2 0 348.451 -0.569 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1)C(N)=O ZINC001086431923 816332863 /nfs/dbraw/zinc/33/28/63/816332863.db2.gz GZANVVRYXUFKOP-TUFXUSLLSA-N 2 0 336.436 -0.792 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H](C)C(N)=O)C2)C1 ZINC001086456853 816344033 /nfs/dbraw/zinc/34/40/33/816344033.db2.gz YRABLHZMGCRGMG-XDQVBPFNSA-N 2 0 326.441 -0.546 20 0 EBADRP CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1)C(N)=O ZINC001086456745 816344710 /nfs/dbraw/zinc/34/47/10/816344710.db2.gz USVVOAZRNBNYSQ-KBUPBQIOSA-N 2 0 340.468 -0.156 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001086478754 816350842 /nfs/dbraw/zinc/35/08/42/816350842.db2.gz YWFHZFYWNZRXAH-FDYHWXHSSA-N 2 0 336.440 -0.710 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1)c1nnnn1C ZINC001086534578 816365446 /nfs/dbraw/zinc/36/54/46/816365446.db2.gz OGTKYHCUZUYOPE-AVGNSLFASA-N 2 0 333.440 -0.149 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001086552147 816372790 /nfs/dbraw/zinc/37/27/90/816372790.db2.gz WULJCVHBMAYJLN-AJNGGQMLSA-N 2 0 343.493 -0.143 20 0 EBADRP CC1CC[NH+](CC(=O)N(CCO)CC[NH2+]Cc2cnnn2C)CC1 ZINC001272285070 816385721 /nfs/dbraw/zinc/38/57/21/816385721.db2.gz ZPTAXDAAGHYFPR-UHFFFAOYSA-N 2 0 338.456 -0.543 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnnn3C)C2)CC[N@@H+]1C ZINC001086699693 816395465 /nfs/dbraw/zinc/39/54/65/816395465.db2.gz AOTVXSJPRQRQOR-XJFOESAGSA-N 2 0 335.456 -0.075 20 0 EBADRP O=C(NC[C@H]1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001086854406 816411335 /nfs/dbraw/zinc/41/13/35/816411335.db2.gz XYIVSTYTWONWAK-MJBXVCDLSA-N 2 0 348.447 -0.238 20 0 EBADRP Cn1[nH]c(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)nc1=O ZINC001086874810 816412596 /nfs/dbraw/zinc/41/25/96/816412596.db2.gz SRXBQRDACKACGR-YNEHKIRRSA-N 2 0 336.440 -0.565 20 0 EBADRP CC(C)[C@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1)[NH+](C)C ZINC001086995448 816439738 /nfs/dbraw/zinc/43/97/38/816439738.db2.gz CYOOLIYYJNUOLD-ARFHVFGLSA-N 2 0 337.468 -0.117 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001086997292 816440838 /nfs/dbraw/zinc/44/08/38/816440838.db2.gz XDOHMTKTVIOYME-AEGPPILISA-N 2 0 348.451 -0.869 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CC[NH+]2CCn1ccnc1 ZINC001272565804 816478477 /nfs/dbraw/zinc/47/84/77/816478477.db2.gz RVSMDEIWBNWGGQ-ULQDDVLXSA-N 2 0 346.479 -0.196 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCN1CCCC1=O ZINC001272583801 816486486 /nfs/dbraw/zinc/48/64/86/816486486.db2.gz KEYXEIUULCSBLF-LSDHHAIUSA-N 2 0 340.468 -0.450 20 0 EBADRP Cn1cncc1CCC(=O)N1CC[C@H](CC[NH2+]Cc2nnnn2C)C1 ZINC001272624132 816494126 /nfs/dbraw/zinc/49/41/26/816494126.db2.gz HCZJETALGLKSAT-ZDUSSCGKSA-N 2 0 346.439 -0.095 20 0 EBADRP COc1ncc(CN2CC[C@@]3(C2)CN(CC[NH+](C)C)C(=O)CO3)cn1 ZINC001272739649 816516768 /nfs/dbraw/zinc/51/67/68/816516768.db2.gz HFEPAINWMDJFFH-QGZVFWFLSA-N 2 0 349.435 -0.150 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001272889686 816549400 /nfs/dbraw/zinc/54/94/00/816549400.db2.gz OIGZSDGNCCCFGO-LBPRGKRZSA-N 2 0 339.440 -0.445 20 0 EBADRP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCN1CCNC1=O ZINC001087828406 816563791 /nfs/dbraw/zinc/56/37/91/816563791.db2.gz KEASHDPHEPZRMV-SOUVJXGZSA-N 2 0 337.468 -0.068 20 0 EBADRP Cn1cncc1CN1C(=O)COCC12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001273030824 816570986 /nfs/dbraw/zinc/57/09/86/816570986.db2.gz PKXDBWYYDPMIOT-UHFFFAOYSA-N 2 0 333.436 -0.167 20 0 EBADRP C[C@H](CC[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)C[NH+]1CCCC1 ZINC001273182954 816601273 /nfs/dbraw/zinc/60/12/73/816601273.db2.gz GBSFPWDORVICPL-GFCCVEGCSA-N 2 0 339.440 -0.445 20 0 EBADRP C[C@@H](CC[NH2+]CC(=O)NC(N)=O)NC(=O)CC[NH+]1CCCCC1 ZINC001273201095 816608552 /nfs/dbraw/zinc/60/85/52/816608552.db2.gz ARDPSFCPGZBSDZ-LBPRGKRZSA-N 2 0 327.429 -0.458 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCO[C@@H](C[NH2+]CCS(C)(=O)=O)C1)[NH+](C)C ZINC001273275281 816627476 /nfs/dbraw/zinc/62/74/76/816627476.db2.gz CAYVKVIOQZLKHH-KBPBESRZSA-N 2 0 349.497 -0.566 20 0 EBADRP CC(C)(C(=O)N1CCO[C@@H](C[NH2+]CCOCCO)C1)[NH+]1CCCC1 ZINC001273302007 816637237 /nfs/dbraw/zinc/63/72/37/816637237.db2.gz ZENKWNACNSBWRK-HNNXBMFYSA-N 2 0 343.468 -0.313 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001088201991 816647185 /nfs/dbraw/zinc/64/71/85/816647185.db2.gz FSIFTHJODBQJJY-OAGGEKHMSA-N 2 0 325.453 -0.273 20 0 EBADRP CCN(CC[NH2+]CCN(C)S(C)(=O)=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001273752822 816749897 /nfs/dbraw/zinc/74/98/97/816749897.db2.gz LMORIXZPWTZOQN-ZDUSSCGKSA-N 2 0 334.486 -0.732 20 0 EBADRP C[NH+](C)CCN1CC[C@]2(CCCN2CC(=O)N2CCOCC2)C1=O ZINC001273762152 816752068 /nfs/dbraw/zinc/75/20/68/816752068.db2.gz KSAYTEUQBUNYCP-QGZVFWFLSA-N 2 0 338.452 -0.526 20 0 EBADRP C[NH+](C)CCN1C[C@]2(CC[N@H+](C[C@@H]3COCCO3)C2)OCC1=O ZINC001273773092 816755834 /nfs/dbraw/zinc/75/58/34/816755834.db2.gz BVBVEMJHRYTKMD-GDBMZVCRSA-N 2 0 327.425 -0.733 20 0 EBADRP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](C[C@@H]1COCCO1)C2 ZINC001273773618 816756274 /nfs/dbraw/zinc/75/62/74/816756274.db2.gz HQBNSJHVNHSIGL-WBVHZDCISA-N 2 0 341.452 -0.486 20 0 EBADRP CNC(=O)C(C)(C)[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273839044 816782818 /nfs/dbraw/zinc/78/28/18/816782818.db2.gz BNCGSVVHZVXBBQ-MRXNPFEDSA-N 2 0 326.441 -0.624 20 0 EBADRP C[C@H]([NH2+]C/C=C/CNC(=O)C1([NH+](C)C)CCC1)C(=O)NC(N)=O ZINC001274090122 816865414 /nfs/dbraw/zinc/86/54/14/816865414.db2.gz VNUJFSJEYUFRBV-ZWNMCFTASA-N 2 0 325.413 -0.684 20 0 EBADRP CNC(=O)C[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001089894463 816935099 /nfs/dbraw/zinc/93/50/99/816935099.db2.gz UZFDVVNQZFGADC-FZKCQIBNSA-N 2 0 346.475 -0.003 20 0 EBADRP CC[C@@H](C(=O)NC/C=C/C[NH2+][C@@H](C)C(=O)NC(=O)NC)[NH+](C)C ZINC001274371601 816943295 /nfs/dbraw/zinc/94/32/95/816943295.db2.gz XTWDUULIKYZZSJ-BRQSLIGTSA-N 2 0 327.429 -0.567 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001274518963 816989278 /nfs/dbraw/zinc/98/92/78/816989278.db2.gz MEISWDGGPWQBTN-YBJDMEARSA-N 2 0 327.429 -0.710 20 0 EBADRP COC(=O)[C@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001274604018 817030341 /nfs/dbraw/zinc/03/03/41/817030341.db2.gz MRIRTAJLRDJPNG-QWHCGFSZSA-N 2 0 327.425 -0.700 20 0 EBADRP CC[NH+](CC)C[C@H](O)CN1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001274655448 817060874 /nfs/dbraw/zinc/06/08/74/817060874.db2.gz KMILPMLTRPBHPC-HNNXBMFYSA-N 2 0 342.484 -0.836 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001275156605 817157975 /nfs/dbraw/zinc/15/79/75/817157975.db2.gz GLLBZTKGGAGHAH-JSGCOSHPSA-N 2 0 346.497 -0.638 20 0 EBADRP C[C@@H](C[NH2+]CCCN1C(=O)CNC1=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001275202893 817169073 /nfs/dbraw/zinc/16/90/73/817169073.db2.gz LTMDDUNRBZJKSS-STQMWFEESA-N 2 0 339.440 -0.493 20 0 EBADRP O=C(N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC001090356025 817297871 /nfs/dbraw/zinc/29/78/71/817297871.db2.gz TWVPFEMABKYNGS-CABCVRRESA-N 2 0 325.453 -0.204 20 0 EBADRP C[NH+](C)CCc1ccccc1C(=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090451479 817426700 /nfs/dbraw/zinc/42/67/00/817426700.db2.gz GSIIBHQARMIWHY-SJORKVTESA-N 2 0 335.448 -0.052 20 0 EBADRP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@H]2O)cc1 ZINC001090578386 817559233 /nfs/dbraw/zinc/55/92/33/817559233.db2.gz WPJFNOQDSJQJDX-IAGOWNOFSA-N 2 0 335.448 -0.052 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)C[C@H]1C ZINC001277778011 817635155 /nfs/dbraw/zinc/63/51/55/817635155.db2.gz YUAXAMOZLLPCOQ-KGLIPLIRSA-N 2 0 348.513 -0.154 20 0 EBADRP O=C(C1=NO[C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]12)N1CC2(CC(O)C2)C1 ZINC001277822501 817641355 /nfs/dbraw/zinc/64/13/55/817641355.db2.gz URLMWKPFHUCXEU-LSDHHAIUSA-N 2 0 348.447 -0.344 20 0 EBADRP CS(=O)(=O)CCNC(=O)[C@@]12C[C@@H]1C[N@H+](CC1CC[NH2+]CC1)C2 ZINC001277822542 817641449 /nfs/dbraw/zinc/64/14/49/817641449.db2.gz VUZKYRLETPPJSB-UKRRQHHQSA-N 2 0 329.466 -0.531 20 0 EBADRP CN(CC[NH2+]C[C@H]1CCCN1C(=O)C[NH+]1CCCC1)S(C)(=O)=O ZINC001277997915 817671134 /nfs/dbraw/zinc/67/11/34/817671134.db2.gz VVIPTQZTLSPWDE-CQSZACIVSA-N 2 0 346.497 -0.446 20 0 EBADRP Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090729804 817704982 /nfs/dbraw/zinc/70/49/82/817704982.db2.gz AFKLFVKDWGLYJR-JKSUJKDBSA-N 2 0 347.463 -0.390 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001278350273 817746611 /nfs/dbraw/zinc/74/66/11/817746611.db2.gz SSXLLOIYOSAWLL-MRXNPFEDSA-N 2 0 326.485 -0.071 20 0 EBADRP Cn1ccc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H](O)C2)cc1=O ZINC001090818410 817773480 /nfs/dbraw/zinc/77/34/80/817773480.db2.gz VGWFYLVOJXRODY-JKSUJKDBSA-N 2 0 348.447 -0.468 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001278582731 817783107 /nfs/dbraw/zinc/78/31/07/817783107.db2.gz OWZILTPPUFPOJS-DYVFJYSZSA-N 2 0 338.452 -0.040 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CCc1ccnn1C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001278773498 817821870 /nfs/dbraw/zinc/82/18/70/817821870.db2.gz FRHDJZJYXSJWDT-HOTGVXAUSA-N 2 0 337.468 -0.144 20 0 EBADRP CN(C[C@H](O)C[NH2+]CCc1ccnn1C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001278773497 817822451 /nfs/dbraw/zinc/82/24/51/817822451.db2.gz FRHDJZJYXSJWDT-CVEARBPZSA-N 2 0 337.468 -0.144 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001090956773 817829089 /nfs/dbraw/zinc/82/90/89/817829089.db2.gz INMJXMFKTKPJAV-JXQTWKCFSA-N 2 0 336.436 -0.286 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NCC2CC([NH2+][C@@H]3CCNC3=O)C2)n1 ZINC001091032927 817844547 /nfs/dbraw/zinc/84/45/47/817844547.db2.gz PWVJVMZOCGOARY-JXQTWKCFSA-N 2 0 348.451 -0.569 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001091037250 817847054 /nfs/dbraw/zinc/84/70/54/817847054.db2.gz HGSAJHTULGYNKQ-XSCHDIRWSA-N 2 0 337.468 -0.164 20 0 EBADRP O=C(CC[NH2+]CCO)NC[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001279345719 817918386 /nfs/dbraw/zinc/91/83/86/817918386.db2.gz KYWIBMLWVQUQSZ-OAHLLOKOSA-N 2 0 340.468 -0.449 20 0 EBADRP C[C@H]([NH2+]C1CC(CNC(=O)c2cnn(CC[NH+](C)C)c2)C1)C(N)=O ZINC001091277390 817949822 /nfs/dbraw/zinc/94/98/22/817949822.db2.gz PQBICCRVMPPCPE-DCBWTQNWSA-N 2 0 336.440 -0.584 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]Cc3nnc4n3CCOC4)C2)C1 ZINC001091364291 817970551 /nfs/dbraw/zinc/97/05/51/817970551.db2.gz BYGXQGTXIJXZGC-ROKHWSDSSA-N 2 0 348.451 -0.256 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(CCO)CC[NH2+]CCc2ccnn2C)CC[N@@H+]1C ZINC001279717134 817975161 /nfs/dbraw/zinc/97/51/61/817975161.db2.gz JDHLEXCICORAPU-GDBMZVCRSA-N 2 0 337.468 -0.287 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1C(=O)COCC[NH+](C)C ZINC001282383989 818400012 /nfs/dbraw/zinc/40/00/12/818400012.db2.gz XQPNXVULALRLTE-KGLIPLIRSA-N 2 0 328.457 -0.378 20 0 EBADRP CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)CCN1C(=O)CNC1=O)[NH+](C)C ZINC001282462115 818434800 /nfs/dbraw/zinc/43/48/00/818434800.db2.gz SFOGFKGARCNBSB-RYUDHWBXSA-N 2 0 327.429 -0.685 20 0 EBADRP CC[C@H](CN1CC(N2C[C@H](NC(=O)Cn3ccnc3)CC2=O)C1)OC ZINC001094823343 818519583 /nfs/dbraw/zinc/51/95/83/818519583.db2.gz VDBPHKYPVQRHLF-UKRRQHHQSA-N 2 0 349.435 -0.291 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCNC(=O)COC1CC[NH+](C)CC1 ZINC001283150665 818677857 /nfs/dbraw/zinc/67/78/57/818677857.db2.gz NPCSGFFUVPEMSE-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001283335964 818762549 /nfs/dbraw/zinc/76/25/49/818762549.db2.gz QFOXLPFFXDQDSS-KGLIPLIRSA-N 2 0 326.441 -0.624 20 0 EBADRP C[C@H](C(=O)N(C)C)[N@H+](C)CCOCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001283358514 818774815 /nfs/dbraw/zinc/77/48/15/818774815.db2.gz DCJFBSMJFVRWOK-KGLIPLIRSA-N 2 0 328.457 -0.378 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)[C@@H](C[NH2+][C@H]1CCC(=O)NC1=O)C1CC1 ZINC001283553568 818854119 /nfs/dbraw/zinc/85/41/19/818854119.db2.gz NTBFAPXPDKXKCI-KBPBESRZSA-N 2 0 338.452 -0.040 20 0 EBADRP CC[C@H](C(=O)N[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)[NH+](C)C ZINC001283875034 819012200 /nfs/dbraw/zinc/01/22/00/819012200.db2.gz KCHKEKBRWGBSSG-ZIAGYGMSSA-N 2 0 328.457 -0.378 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001284023967 819069788 /nfs/dbraw/zinc/06/97/88/819069788.db2.gz XPLQPWHZRPDDRF-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH+](CCO)CC(N)=O)CC1 ZINC001098386148 819163739 /nfs/dbraw/zinc/16/37/39/819163739.db2.gz LYCCAUBBBWEZJZ-OAHLLOKOSA-N 2 0 340.468 -0.369 20 0 EBADRP CC[C@H](C(=O)N1C[C@H]([NH2+]CCNS(C)(=O)=O)C(C)(C)C1)[NH+](C)C ZINC001284336814 819188476 /nfs/dbraw/zinc/18/84/76/819188476.db2.gz VSAIUEPCTJLWIK-OLZOCXBDSA-N 2 0 348.513 -0.298 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH+](CCO)CCOCCO)CC1 ZINC001098450028 819195796 /nfs/dbraw/zinc/19/57/96/819195796.db2.gz ZYONESLODSZYNY-MRXNPFEDSA-N 2 0 343.468 -0.625 20 0 EBADRP CNC(=O)C[N@H+](CCO)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001098462264 819199820 /nfs/dbraw/zinc/19/98/20/819199820.db2.gz LGNSLUYFPMNURH-UHFFFAOYSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@H](C(=O)N1CCC([N@H+](CCO)CC(N)=O)CC1)[NH+](CC)CC ZINC001098476569 819207840 /nfs/dbraw/zinc/20/78/40/819207840.db2.gz MINKNNDFWUUTKM-OAHLLOKOSA-N 2 0 342.484 -0.123 20 0 EBADRP C[C@@H](O)C[N@H+](CCO)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001098477589 819208200 /nfs/dbraw/zinc/20/82/00/819208200.db2.gz AVVZSQMVELMXDS-HUUCEWRRSA-N 2 0 327.469 -0.006 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC([NH+](CCO)CC(N)=O)CC2)C1 ZINC001098532973 819234443 /nfs/dbraw/zinc/23/44/43/819234443.db2.gz NEDZFFCGKFSWBE-CYBMUJFWSA-N 2 0 326.441 -0.901 20 0 EBADRP C[C@@H](O)C[N@H+](CCO)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001098533050 819234562 /nfs/dbraw/zinc/23/45/62/819234562.db2.gz QERQZDMQFBMKDU-HUUCEWRRSA-N 2 0 327.469 -0.006 20 0 EBADRP CNC(=O)C[N@H+](CCO)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001098533172 819235515 /nfs/dbraw/zinc/23/55/15/819235515.db2.gz VKSITNRXZJVIPY-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP CN(C)C(=O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001098561128 819244142 /nfs/dbraw/zinc/24/41/42/819244142.db2.gz SVEJWMRIUVASNN-CQSZACIVSA-N 2 0 340.468 -0.688 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001284674781 819323733 /nfs/dbraw/zinc/32/37/33/819323733.db2.gz HCISIKRFSWRPAG-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@H](O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001098768165 819359656 /nfs/dbraw/zinc/35/96/56/819359656.db2.gz RQDRSQUVXAXXDZ-ZFWWWQNUSA-N 2 0 348.451 -0.382 20 0 EBADRP CN(CCOCC[NH2+]CC(N)=O)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001284877060 819386568 /nfs/dbraw/zinc/38/65/68/819386568.db2.gz SNIXTKFWKNJKIO-ZIAGYGMSSA-N 2 0 326.441 -0.447 20 0 EBADRP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@@H]2O)CCC1 ZINC001099872797 819813272 /nfs/dbraw/zinc/81/32/72/819813272.db2.gz ZMXFSIUGRSYKKU-KGLIPLIRSA-N 2 0 329.441 -0.969 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1CCN(CC(=O)NC(C)(C)C)C[C@H]1O ZINC001099985275 819989532 /nfs/dbraw/zinc/98/95/32/819989532.db2.gz AKVPGZLYOCHOIB-CHWSQXEVSA-N 2 0 328.457 -0.596 20 0 EBADRP Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C2)cc1=O ZINC001099987026 819993624 /nfs/dbraw/zinc/99/36/24/819993624.db2.gz SOSOJOMLEJQKJX-HUUCEWRRSA-N 2 0 336.436 -0.612 20 0 EBADRP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@H]2O)CC1 ZINC001100022043 820051355 /nfs/dbraw/zinc/05/13/55/820051355.db2.gz GKLOAPISJNLPLR-HZPDHXFCSA-N 2 0 343.468 -0.721 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001100050675 820126050 /nfs/dbraw/zinc/12/60/50/820126050.db2.gz LGERPNZMUHODKH-GJZGRUSLSA-N 2 0 329.441 -0.705 20 0 EBADRP COCCCC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074500 820165653 /nfs/dbraw/zinc/16/56/53/820165653.db2.gz OSTHFCMOBYTTMA-GJZGRUSLSA-N 2 0 331.457 -0.457 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@H+](CCOCC2CC2)C[C@@H]1O ZINC001100075055 820167298 /nfs/dbraw/zinc/16/72/98/820167298.db2.gz XTUOMPHABFOYDH-CVEARBPZSA-N 2 0 343.468 -0.457 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1CC[N@H+](CCOCC2CC2)C[C@H]1O ZINC001100075057 820167604 /nfs/dbraw/zinc/16/76/04/820167604.db2.gz XTUOMPHABFOYDH-HZPDHXFCSA-N 2 0 343.468 -0.457 20 0 EBADRP COCCOCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001100075050 820168277 /nfs/dbraw/zinc/16/82/77/820168277.db2.gz XSOABMAHVDECOG-LSDHHAIUSA-N 2 0 341.452 -0.703 20 0 EBADRP CCOCCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001100185561 820306859 /nfs/dbraw/zinc/30/68/59/820306859.db2.gz GDROWGQHSYATIS-NRXISQOPSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CCNS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001100343540 820368375 /nfs/dbraw/zinc/36/83/75/820368375.db2.gz GTPARARSSGYHHE-BLYZHGLHSA-N 2 0 346.497 -0.640 20 0 EBADRP CCOCCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001100442796 820423588 /nfs/dbraw/zinc/42/35/88/820423588.db2.gz WQVGLMJEVGEEBW-YMAMQOFZSA-N 2 0 342.484 -0.036 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001100446825 820423672 /nfs/dbraw/zinc/42/36/72/820423672.db2.gz CHATVZFZEXFRQZ-BPCQOVAHSA-N 2 0 339.440 -0.589 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]CC(=O)NC(=O)NC)C1 ZINC001100459958 820429486 /nfs/dbraw/zinc/42/94/86/820429486.db2.gz HTJXBLMSRJHCOE-UHFFFAOYSA-N 2 0 341.456 -0.343 20 0 EBADRP C[NH+](C)CCCC(=O)NCC1CC([NH2+]CCN2CCNC2=O)C1 ZINC001100619965 820488846 /nfs/dbraw/zinc/48/88/46/820488846.db2.gz QKUUZVMCGSSDAH-UHFFFAOYSA-N 2 0 325.457 -0.162 20 0 EBADRP C[NH+](C)CCC(=O)NCC1CC([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001100637311 820496538 /nfs/dbraw/zinc/49/65/38/820496538.db2.gz MFDADOSJJBFIJZ-HSBZDZAISA-N 2 0 331.482 -0.143 20 0 EBADRP CC[C@H](C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1)[NH+](CC)CC ZINC001100669446 820505552 /nfs/dbraw/zinc/50/55/52/820505552.db2.gz YFYJTIUSEIXEED-WXRRBKDZSA-N 2 0 341.456 -0.214 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1CC([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001100770348 820547052 /nfs/dbraw/zinc/54/70/52/820547052.db2.gz CHIYKBYKLYOFLI-HIFPTAJRSA-N 2 0 341.456 -0.343 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2CC([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001100872792 820586185 /nfs/dbraw/zinc/58/61/85/820586185.db2.gz JWUIZTIBEAHTFA-UNXYVOJBSA-N 2 0 325.413 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820633189 /nfs/dbraw/zinc/63/31/89/820633189.db2.gz RQCGLUCUHWVCCM-UHFFFAOYSA-N 2 0 325.413 -0.978 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001101035926 820660200 /nfs/dbraw/zinc/66/02/00/820660200.db2.gz FCCWNWROULKTCN-UHFFFAOYSA-N 2 0 348.513 -0.250 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001101039693 820661541 /nfs/dbraw/zinc/66/15/41/820661541.db2.gz YRUBILQNYBUPKM-UHFFFAOYSA-N 2 0 327.429 -0.733 20 0 EBADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432191 820788217 /nfs/dbraw/zinc/78/82/17/820788217.db2.gz GMSHXSHYLNLZJG-CPUCHLNUSA-N 2 0 340.468 -0.521 20 0 EBADRP C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320719 821070419 /nfs/dbraw/zinc/07/04/19/821070419.db2.gz PYXSAQWTPONCJD-ZIAGYGMSSA-N 2 0 338.452 -0.229 20 0 EBADRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1C)[NH+](C)C ZINC001102381961 821086744 /nfs/dbraw/zinc/08/67/44/821086744.db2.gz JYQILZFPAOIOAI-MCIONIFRSA-N 2 0 348.513 -0.440 20 0 EBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)NC(=O)COCC[NH+](C)C ZINC001295575355 821128104 /nfs/dbraw/zinc/12/81/04/821128104.db2.gz RETNSYZMLOCCAA-CYBMUJFWSA-N 2 0 326.441 -0.719 20 0 EBADRP CC(C)NC(=O)C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511452 821135085 /nfs/dbraw/zinc/13/50/85/821135085.db2.gz XWCUCRWNFUFYPQ-HUUCEWRRSA-N 2 0 342.484 -0.227 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103756070 821350210 /nfs/dbraw/zinc/35/02/10/821350210.db2.gz WOIGOHGMIXGKRJ-CHWSQXEVSA-N 2 0 341.456 -0.404 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]CC(=O)NC(N)=O ZINC001103999744 821385593 /nfs/dbraw/zinc/38/55/93/821385593.db2.gz JYTOTIZAYSPNLB-UPJWGTAASA-N 2 0 339.440 -0.650 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1CC[NH2+]CCO ZINC001104433640 821498139 /nfs/dbraw/zinc/49/81/39/821498139.db2.gz PITSRCVTDYFHNL-HCBPCCMXSA-N 2 0 337.464 -0.084 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001104908081 821564128 /nfs/dbraw/zinc/56/41/28/821564128.db2.gz IJEOWPFYHBGCLH-RBSFLKMASA-N 2 0 342.484 -0.227 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCOC2(CCC([NH2+]CC(N)=O)CC2)C1 ZINC001105486939 821761194 /nfs/dbraw/zinc/76/11/94/821761194.db2.gz HCKOSCGPOSUKRN-UHFFFAOYSA-N 2 0 340.468 -0.058 20 0 EBADRP O=C(NCc1nc(C[NH2+]CCO)cc(=O)[nH]1)C12CCC[NH+](CCC1)C2 ZINC001316714184 821832126 /nfs/dbraw/zinc/83/21/26/821832126.db2.gz AJTNMSXUFKHQBG-UHFFFAOYSA-N 2 0 349.435 -0.244 20 0 EBADRP C[C@@H](C(N)=O)[N@H+](C)CCOCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001316765215 821852028 /nfs/dbraw/zinc/85/20/28/821852028.db2.gz MIXOLEWYIVZDGL-ZDUSSCGKSA-N 2 0 326.441 -0.637 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001316824802 821869683 /nfs/dbraw/zinc/86/96/83/821869683.db2.gz YLIZLDXDZKZAKS-GRYCIOLGSA-N 2 0 327.429 -0.652 20 0 EBADRP C[N@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CC(=O)NC(N)=O ZINC001316853365 821888841 /nfs/dbraw/zinc/88/88/41/821888841.db2.gz GNJMSDRWKUTSLC-QWHCGFSZSA-N 2 0 339.440 -0.364 20 0 EBADRP CC(C)NC(=O)NCC[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001317066890 821991604 /nfs/dbraw/zinc/99/16/04/821991604.db2.gz HGZASBOKYGRUOM-AWEZNQCLSA-N 2 0 337.468 -0.020 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001317111401 822006381 /nfs/dbraw/zinc/00/63/81/822006381.db2.gz BSEIYJYNNJUKRT-XQQFMLRXSA-N 2 0 334.486 -0.641 20 0 EBADRP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CCN1C(=O)CCC1=O ZINC001317260348 822052874 /nfs/dbraw/zinc/05/28/74/822052874.db2.gz POVNLOJQHPCRIE-ZDUSSCGKSA-N 2 0 336.436 -0.142 20 0 EBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCCN1C(=O)CNC1=O ZINC001317264403 822054637 /nfs/dbraw/zinc/05/46/37/822054637.db2.gz IECBLHKZPBAUFW-GFCCVEGCSA-N 2 0 339.440 -0.636 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001106622599 822301568 /nfs/dbraw/zinc/30/15/68/822301568.db2.gz GZEQMVZEUGTMOC-CHWSQXEVSA-N 2 0 341.456 -0.532 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106878125 822347009 /nfs/dbraw/zinc/34/70/09/822347009.db2.gz GLJICLJAOWMXAM-ZIAGYGMSSA-N 2 0 340.468 -0.473 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001106877931 822347022 /nfs/dbraw/zinc/34/70/22/822347022.db2.gz CZHRFYPYHATQRF-ZIAGYGMSSA-N 2 0 338.456 -0.423 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001128773799 828524619 /nfs/dbraw/zinc/52/46/19/828524619.db2.gz DYEBEICPXDXRHE-GJZGRUSLSA-N 2 0 340.468 -0.138 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001128774169 828524792 /nfs/dbraw/zinc/52/47/92/828524792.db2.gz NINKOIZMYVMDDS-ZDUSSCGKSA-N 2 0 341.456 -0.198 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCCNS(=O)(=O)CC ZINC001128779106 828525645 /nfs/dbraw/zinc/52/56/45/828525645.db2.gz NWNVYOAOUBIDAB-CQSZACIVSA-N 2 0 348.513 -0.104 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001106981383 823712321 /nfs/dbraw/zinc/71/23/21/823712321.db2.gz MAQJHYSQNMBJMV-JHJVBQTASA-N 2 0 339.440 -0.922 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106981546 823712488 /nfs/dbraw/zinc/71/24/88/823712488.db2.gz TYRSBKFDKOTMGJ-RBSFLKMASA-N 2 0 337.468 -0.353 20 0 EBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364155 828605599 /nfs/dbraw/zinc/60/55/99/828605599.db2.gz QEIATCUVWJPUJL-HNNXBMFYSA-N 2 0 340.468 -0.140 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCNC(=O)C2([NH+](C)C)CCC2)n(C)n1 ZINC001129364373 828605617 /nfs/dbraw/zinc/60/56/17/828605617.db2.gz USXCWWRUXAXWJQ-UHFFFAOYSA-N 2 0 336.440 -0.143 20 0 EBADRP CN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1=O ZINC001129364115 828605626 /nfs/dbraw/zinc/60/56/26/828605626.db2.gz PJAIEMHDDBKSSN-CABCVRRESA-N 2 0 338.452 -0.434 20 0 EBADRP Cn1nncc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364521 828605844 /nfs/dbraw/zinc/60/58/44/828605844.db2.gz WDSQEKBZUKHSHY-HNNXBMFYSA-N 2 0 336.440 -0.336 20 0 EBADRP COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364817 828606065 /nfs/dbraw/zinc/60/60/65/828606065.db2.gz ZNEZWVSMCLFVOB-CABCVRRESA-N 2 0 329.441 -0.657 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)COC)C[C@@H]1n1ccnn1 ZINC001129370118 828607562 /nfs/dbraw/zinc/60/75/62/828607562.db2.gz OAUXXJYWWRSTIJ-ZNMIVQPWSA-N 2 0 338.456 -0.004 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001129400411 828613483 /nfs/dbraw/zinc/61/34/83/828613483.db2.gz MVUONTNXRFSYBG-ZNMIVQPWSA-N 2 0 338.456 -0.268 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001129421689 828615835 /nfs/dbraw/zinc/61/58/35/828615835.db2.gz BQSBYVAILMJSPN-QWHCGFSZSA-N 2 0 341.456 -0.201 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(=O)NC(N)=O ZINC001129418942 828616217 /nfs/dbraw/zinc/61/62/17/828616217.db2.gz YTRQFAUBXXMQRR-AAEUAGOBSA-N 2 0 339.440 -0.317 20 0 EBADRP COCCC[N@@H+]1CCO[C@@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108342273 824229017 /nfs/dbraw/zinc/22/90/17/824229017.db2.gz DBHUERAQAQOWBF-INIZCTEOSA-N 2 0 331.457 -0.192 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129535101 828632174 /nfs/dbraw/zinc/63/21/74/828632174.db2.gz JDZUYHPFBMGZIP-UHFFFAOYSA-N 2 0 341.456 -0.198 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129535266 828632252 /nfs/dbraw/zinc/63/22/52/828632252.db2.gz MZVNLTDSVAFXHA-UHFFFAOYSA-N 2 0 334.486 -0.542 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129526310 828630715 /nfs/dbraw/zinc/63/07/15/828630715.db2.gz AOAJVTMCCUBUBL-LLVKDONJSA-N 2 0 327.429 -0.589 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001129841946 828680186 /nfs/dbraw/zinc/68/01/86/828680186.db2.gz RERPXECAIQQZPU-LSDHHAIUSA-N 2 0 340.468 -0.281 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129841039 828680819 /nfs/dbraw/zinc/68/08/19/828680819.db2.gz LSZMEVGHSRIENE-CQSZACIVSA-N 2 0 348.513 -0.104 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129856658 828682562 /nfs/dbraw/zinc/68/25/62/828682562.db2.gz VIPOTKHZNBPZAZ-GFCCVEGCSA-N 2 0 327.429 -0.588 20 0 EBADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129910342 828692502 /nfs/dbraw/zinc/69/25/02/828692502.db2.gz OVKRCFQZCUCLFZ-KFWWJZLASA-N 2 0 338.456 -0.004 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O)[NH+](C)C ZINC001129953944 828700028 /nfs/dbraw/zinc/70/00/28/828700028.db2.gz VFOUEEAWXANPRX-LBPRGKRZSA-N 2 0 341.456 -0.391 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O)[NH+](C)C ZINC001129949465 828699627 /nfs/dbraw/zinc/69/96/27/828699627.db2.gz DXWSZCWTZCXXLW-ZDUSSCGKSA-N 2 0 327.429 -0.780 20 0 EBADRP CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001129994507 828710317 /nfs/dbraw/zinc/71/03/17/828710317.db2.gz RUQIHMYTGBGUNM-QLFBSQMISA-N 2 0 338.456 -0.412 20 0 EBADRP COCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130005950 828713761 /nfs/dbraw/zinc/71/37/61/828713761.db2.gz MVQNFBQUZVVQPS-KFWWJZLASA-N 2 0 336.440 -0.392 20 0 EBADRP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1 ZINC001130091458 828731483 /nfs/dbraw/zinc/73/14/83/828731483.db2.gz UVYMXZZKCBEIEX-ZNMIVQPWSA-N 2 0 348.451 -0.250 20 0 EBADRP CN(CC[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2)S(C)(=O)=O ZINC001130171089 828744504 /nfs/dbraw/zinc/74/45/04/828744504.db2.gz GNFCYOWLNSLFEY-UHFFFAOYSA-N 2 0 346.497 -0.540 20 0 EBADRP CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001130201151 828754193 /nfs/dbraw/zinc/75/41/93/828754193.db2.gz WKRZIZDHZNEONI-UONOGXRCSA-N 2 0 330.473 -0.036 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130189601 828751749 /nfs/dbraw/zinc/75/17/49/828751749.db2.gz QJAUYVPHABOCHE-HZPDHXFCSA-N 2 0 340.468 -0.138 20 0 EBADRP O=C(NCC[NH2+]CCN1C(=O)CNC1=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130188802 828752302 /nfs/dbraw/zinc/75/23/02/828752302.db2.gz KBLZKNJGTXXOLL-OLZOCXBDSA-N 2 0 337.424 -0.739 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)N(C)Cc1cnn(C)c1)[NH+](C)C ZINC001130205082 828755368 /nfs/dbraw/zinc/75/53/68/828755368.db2.gz GLGYBZUZVUEPLQ-CQSZACIVSA-N 2 0 338.456 -0.576 20 0 EBADRP CN1CC[C@H]([NH2+]CCNC(=O)C(C)(C)C[NH+]2CCOCC2)C1=O ZINC001130231757 828761159 /nfs/dbraw/zinc/76/11/59/828761159.db2.gz FMFFDIHGSHAYPX-ZDUSSCGKSA-N 2 0 326.441 -0.719 20 0 EBADRP CCN(C)C(=O)C[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130230274 828761169 /nfs/dbraw/zinc/76/11/69/828761169.db2.gz JEOQSNNYSYRBHE-UHFFFAOYSA-N 2 0 328.457 -0.471 20 0 EBADRP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCN1CCNC1=O)C2 ZINC001111862624 825331206 /nfs/dbraw/zinc/33/12/06/825331206.db2.gz VZOHCFJCVOOCLU-YOEHRIQHSA-N 2 0 337.468 -0.066 20 0 EBADRP C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111938211 825349506 /nfs/dbraw/zinc/34/95/06/825349506.db2.gz QNCHVRAMEYBVGG-XEZPLFJOSA-N 2 0 326.441 -0.591 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130306101 828777979 /nfs/dbraw/zinc/77/79/79/828777979.db2.gz ROGJTYSTXTYZST-OLZOCXBDSA-N 2 0 341.456 -0.201 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001130305870 828777995 /nfs/dbraw/zinc/77/79/95/828777995.db2.gz NGVJSGHMVFBBHN-GFCCVEGCSA-N 2 0 339.440 -0.493 20 0 EBADRP COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130304024 828778240 /nfs/dbraw/zinc/77/82/40/828778240.db2.gz QMYZMQOBHDJBLA-AWEZNQCLSA-N 2 0 349.497 -0.372 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC001130303888 828778451 /nfs/dbraw/zinc/77/84/51/828778451.db2.gz NHAFLFCTFPRHDL-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001130421792 828827179 /nfs/dbraw/zinc/82/71/79/828827179.db2.gz JLLUSTKQCZLTGB-GFCCVEGCSA-N 2 0 343.472 -0.985 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001130421896 828828468 /nfs/dbraw/zinc/82/84/68/828828468.db2.gz NRRBKNFISQRNAC-GJZGRUSLSA-N 2 0 345.484 -0.021 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001179779754 833009931 /nfs/dbraw/zinc/00/99/31/833009931.db2.gz USIJSIDPDVCUEW-STQMWFEESA-N 2 0 339.440 -0.508 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCS(C)(=O)=O)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001179929165 833025989 /nfs/dbraw/zinc/02/59/89/833025989.db2.gz FUVYLPVQHBNCTQ-STQMWFEESA-N 2 0 329.466 -0.294 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C2CC2)CCN1C(=O)COCC[NH+](C)C ZINC001179929233 833026635 /nfs/dbraw/zinc/02/66/35/833026635.db2.gz IFIWWCLZTOOULF-ZFWWWQNUSA-N 2 0 340.468 -0.236 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)COCC[NH+](C)C ZINC001179929224 833027052 /nfs/dbraw/zinc/02/70/52/833027052.db2.gz IABYTRPPZHCLDX-KBPBESRZSA-N 2 0 326.441 -0.624 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C)C(=O)NC(N)=O ZINC001179929375 833027512 /nfs/dbraw/zinc/02/75/12/833027512.db2.gz KGNCUSZJLNCNIT-WOPDTQHZSA-N 2 0 337.424 -0.755 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)N2CCCC2)CCN1C(=O)COCC[NH+](C)C ZINC001179929556 833027917 /nfs/dbraw/zinc/02/79/17/833027917.db2.gz PEOBKXOMDMEFNB-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001114488699 826264318 /nfs/dbraw/zinc/26/43/18/826264318.db2.gz RNFNIRNHQOJUIJ-WDNDVIMCSA-N 2 0 337.468 -0.212 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001180060706 833038132 /nfs/dbraw/zinc/03/81/32/833038132.db2.gz MEOIXBDGKLJJMF-ZDUSSCGKSA-N 2 0 341.456 -0.211 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001180131586 833045170 /nfs/dbraw/zinc/04/51/70/833045170.db2.gz HJZIUUWSYHDVFV-KBPBESRZSA-N 2 0 346.497 -0.400 20 0 EBADRP COCCOC[C@H](O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001180131775 833045490 /nfs/dbraw/zinc/04/54/90/833045490.db2.gz LCMUIBNGGHUPEC-XHSDSOJGSA-N 2 0 343.468 -0.315 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC1CC[NH+](C)CC1 ZINC001115038441 826406204 /nfs/dbraw/zinc/40/62/04/826406204.db2.gz LUIQDHKNUYDNSS-UTXMOHQDSA-N 2 0 341.452 -0.849 20 0 EBADRP CCCC[C@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126026 826428293 /nfs/dbraw/zinc/42/82/93/826428293.db2.gz HCPVYYRSYVSXHL-CTASWTNQSA-N 2 0 340.468 -0.345 20 0 EBADRP C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115143353 826433081 /nfs/dbraw/zinc/43/30/81/826433081.db2.gz BGQMYHYDJGOSKK-RSUWNVLCSA-N 2 0 336.436 -0.430 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](O)COCCOC)C[C@H]21 ZINC001115161954 826435851 /nfs/dbraw/zinc/43/58/51/826435851.db2.gz QGHJCBDYKHKVCF-AIANPOQGSA-N 2 0 343.468 -0.602 20 0 EBADRP COCCOC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115241122 826466254 /nfs/dbraw/zinc/46/62/54/826466254.db2.gz CAPSZWPHLUKPCR-LJIGWXMPSA-N 2 0 341.452 -0.848 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001180223090 833058371 /nfs/dbraw/zinc/05/83/71/833058371.db2.gz ZVKXMNJQPWBYJQ-STQMWFEESA-N 2 0 341.456 -0.249 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)C[NH+]1CCCC1 ZINC001180274381 833068158 /nfs/dbraw/zinc/06/81/58/833068158.db2.gz AQYCRTSLZXCEOP-UHFFFAOYSA-N 2 0 327.429 -0.457 20 0 EBADRP C[C@H]([NH2+]CCCCCCNC(=O)C[NH+]1CCCC1)C(=O)NC(N)=O ZINC001180278914 833068499 /nfs/dbraw/zinc/06/84/99/833068499.db2.gz TYTHMRZZPAQEPZ-ZDUSSCGKSA-N 2 0 341.456 -0.068 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCCC1 ZINC001115707988 826573149 /nfs/dbraw/zinc/57/31/49/826573149.db2.gz HWBGHFNCRDTRTP-UHFFFAOYSA-N 2 0 341.456 -0.198 20 0 EBADRP COCCC1([NH3+])CCN(C(=O)CC[NH+]2CCC(C(N)=O)CC2)CC1 ZINC001180611135 833096039 /nfs/dbraw/zinc/09/60/39/833096039.db2.gz CHFDSKPNWYMLHW-UHFFFAOYSA-N 2 0 340.468 -0.070 20 0 EBADRP C[C@@H](C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1)[NH+](C)C ZINC001180860402 833115390 /nfs/dbraw/zinc/11/53/90/833115390.db2.gz DXNZHOGZFDRPSC-NSHDSACASA-N 2 0 337.424 -0.199 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)CC1 ZINC001118268767 826894275 /nfs/dbraw/zinc/89/42/75/826894275.db2.gz WXMOSZGGNQMKAH-CQSZACIVSA-N 2 0 340.468 -0.377 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC001118268766 826894884 /nfs/dbraw/zinc/89/48/84/826894884.db2.gz WXMOSZGGNQMKAH-AWEZNQCLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@]1(C)C[NH2+]Cc1nnnn1C ZINC001180900078 833121317 /nfs/dbraw/zinc/12/13/17/833121317.db2.gz USYUVOQLHZZZPY-XJKCOSOUSA-N 2 0 335.456 -0.122 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001118547442 826957291 /nfs/dbraw/zinc/95/72/91/826957291.db2.gz WWMRTSISQFBFSH-ZDUSSCGKSA-N 2 0 326.441 -0.589 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC001118861894 827008654 /nfs/dbraw/zinc/00/86/54/827008654.db2.gz QTULSLAGWCFGFF-CQSZACIVSA-N 2 0 341.456 -0.735 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001119350595 827099858 /nfs/dbraw/zinc/09/98/58/827099858.db2.gz DTXJHHSSFCFCCT-STQMWFEESA-N 2 0 326.441 -0.543 20 0 EBADRP CCCN(C(=O)C(=O)NC[C@H](C[NH+](C)C)OCC)[C@H]1CC[NH2+]C1 ZINC001120444770 827223946 /nfs/dbraw/zinc/22/39/46/827223946.db2.gz ZZIWBJLOCZRRJJ-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@H]1C[NH+](CCCNC(=O)N2CCNCC[NH2+]CC2)C[C@H](C)O1 ZINC001120567178 827246604 /nfs/dbraw/zinc/24/66/04/827246604.db2.gz WZQJYDFYBRYFQH-GJZGRUSLSA-N 2 0 327.473 -0.310 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001181653289 833170396 /nfs/dbraw/zinc/17/03/96/833170396.db2.gz WPQCIINTONAIAB-QLFBSQMISA-N 2 0 338.452 -0.746 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001181652127 833170763 /nfs/dbraw/zinc/17/07/63/833170763.db2.gz JPZMPHGQLDRXCR-VXGBXAGGSA-N 2 0 325.413 -0.883 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2C[NH2+]CCN2C)CC1 ZINC001121996096 827499121 /nfs/dbraw/zinc/49/91/21/827499121.db2.gz CMGQSAWZOUPWAY-ZACQAIPSSA-N 2 0 337.512 -0.093 20 0 EBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H](O)CNC(=O)OC(C)(C)C ZINC001182632942 833249940 /nfs/dbraw/zinc/24/99/40/833249940.db2.gz WVCWOSLKXZORSA-NSHDSACASA-N 2 0 345.444 -0.064 20 0 EBADRP C[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@]1(C)C[NH2+]CC(=O)NC(N)=O ZINC001182741988 833254996 /nfs/dbraw/zinc/25/49/96/833254996.db2.gz ZTDFGFLRMNXRIS-MEBBXXQBSA-N 2 0 336.396 -0.779 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001182963512 833270938 /nfs/dbraw/zinc/27/09/38/833270938.db2.gz CWUJKEXONFILBL-NEPJUHHUSA-N 2 0 345.419 -0.688 20 0 EBADRP Cn1ccc(N2CCC[C@@H]([NH2+]CCNC(=O)[C@@H]3CCC[N@@H+]3C)C2=O)n1 ZINC001124867692 827969554 /nfs/dbraw/zinc/96/95/54/827969554.db2.gz XZBOXTXNIVPLSI-KGLIPLIRSA-N 2 0 348.451 -0.285 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124877246 827972301 /nfs/dbraw/zinc/97/23/01/827972301.db2.gz DUFBDCANNJSBDF-LBPRGKRZSA-N 2 0 327.429 -0.732 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)NC(=O)NC(C)(C)C ZINC001124872552 827972824 /nfs/dbraw/zinc/97/28/24/827972824.db2.gz KFTUYXFUTYDKSC-NWDGAFQWSA-N 2 0 341.456 -0.201 20 0 EBADRP Cn1cc(N2CC[C@@H]([NH2+]CCNC(=O)[C@@H]3CCC[N@@H+]3C)C2=O)cn1 ZINC001124878830 827973738 /nfs/dbraw/zinc/97/37/38/827973738.db2.gz PBBHMJDGKMTQAA-KGLIPLIRSA-N 2 0 334.424 -0.675 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001183648806 833298410 /nfs/dbraw/zinc/29/84/10/833298410.db2.gz ZNHBBIAWIVEWPE-NEPJUHHUSA-N 2 0 325.413 -0.883 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCCCOC)C1)[NH+](C)C ZINC001183582068 833296142 /nfs/dbraw/zinc/29/61/42/833296142.db2.gz QZHCPLBJPFXMAG-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@H](O)COCCOC)C1)[NH+](C)C ZINC001183582430 833296262 /nfs/dbraw/zinc/29/62/62/833296262.db2.gz ZGHOCLIGQLPAOY-QLFBSQMISA-N 2 0 331.457 -0.459 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001183611025 833296791 /nfs/dbraw/zinc/29/67/91/833296791.db2.gz MGJPCQAUMAUURR-ZIAGYGMSSA-N 2 0 340.468 -0.330 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001183647354 833297983 /nfs/dbraw/zinc/29/79/83/833297983.db2.gz FMIXIWZPVUSLEP-CHWSQXEVSA-N 2 0 339.440 -0.493 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127256651 828269692 /nfs/dbraw/zinc/26/96/92/828269692.db2.gz QIOQWBULAUKQJR-HUUCEWRRSA-N 2 0 340.468 -0.281 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2)NC[C@@H]1CCCO1 ZINC001127474498 828297454 /nfs/dbraw/zinc/29/74/54/828297454.db2.gz MTTAOMKPEPWTFD-GJZGRUSLSA-N 2 0 338.452 -0.671 20 0 EBADRP O=C(NCC[NH2+]C[C@H]1CCCS(=O)(=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001127481055 828298245 /nfs/dbraw/zinc/29/82/45/828298245.db2.gz ODWJCEYQGNCMFH-UKRRQHHQSA-N 2 0 343.493 -0.141 20 0 EBADRP Cc1nc(C)n(CC[NH2+]CCNC(=O)c2ccn(CC[NH+](C)C)n2)n1 ZINC001127558136 828302678 /nfs/dbraw/zinc/30/26/78/828302678.db2.gz FDAFGZKLLPXQSP-UHFFFAOYSA-N 2 0 348.455 -0.327 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NCC[NH2+]C[C@H]2CCc3ncnn32)n1 ZINC001127562125 828303190 /nfs/dbraw/zinc/30/31/90/828303190.db2.gz DGAGPBHEABYRBJ-CYBMUJFWSA-N 2 0 346.439 -0.457 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)n1 ZINC001127563379 828303970 /nfs/dbraw/zinc/30/39/70/828303970.db2.gz XMKPMLUQYZIISC-CQSZACIVSA-N 2 0 349.439 -0.978 20 0 EBADRP COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571113 828304184 /nfs/dbraw/zinc/30/41/84/828304184.db2.gz KWCCJXISYIBDGA-XHSDSOJGSA-N 2 0 343.468 -0.554 20 0 EBADRP CCN1CC[C@H]([NH2+]CCNC(=O)c2ccn(CC[NH+](C)C)n2)C1=O ZINC001127563016 828304265 /nfs/dbraw/zinc/30/42/65/828304265.db2.gz SJVFSOULKNCXCE-AWEZNQCLSA-N 2 0 336.440 -0.615 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NCC[NH2+]CCN2CCCC2=O)n1 ZINC001127563381 828304373 /nfs/dbraw/zinc/30/43/73/828304373.db2.gz XPJVLZLKZPWGQY-UHFFFAOYSA-N 2 0 336.440 -0.614 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CCCNS(=O)(=O)CC)CC[N@@H+]1C ZINC001127701117 828316423 /nfs/dbraw/zinc/31/64/23/828316423.db2.gz JLNIROKSYMGORW-UONOGXRCSA-N 2 0 348.513 -0.248 20 0 EBADRP CC(C)(C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127778456 828326000 /nfs/dbraw/zinc/32/60/00/828326000.db2.gz FJTDCHCLACHEER-CHWSQXEVSA-N 2 0 326.441 -0.530 20 0 EBADRP COc1cncc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001127785768 828329910 /nfs/dbraw/zinc/32/99/10/828329910.db2.gz PVJMMDZVDDWVSK-UONOGXRCSA-N 2 0 335.408 -0.446 20 0 EBADRP CN(CCC(=O)NCC[NH2+]CCN1C(=O)CCC1=O)c1cc[nH+]cc1 ZINC001130558614 828882449 /nfs/dbraw/zinc/88/24/49/828882449.db2.gz HNRCUCXPWFXQIL-UHFFFAOYSA-N 2 0 347.419 -0.237 20 0 EBADRP CN(CCC(=O)NCC[NH2+]CCN1CCNC1=O)c1cc[nH+]cc1 ZINC001130558541 828882838 /nfs/dbraw/zinc/88/28/38/828882838.db2.gz CYVNYYHZXMTLDQ-UHFFFAOYSA-N 2 0 334.424 -0.361 20 0 EBADRP O=C(C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1)NC1CC1 ZINC001184434396 833330199 /nfs/dbraw/zinc/33/01/99/833330199.db2.gz XECZNGWTZHNIOR-HBSJQHRPSA-N 2 0 348.447 -0.681 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(=O)NC(N)=O ZINC001130622306 828901993 /nfs/dbraw/zinc/90/19/93/828901993.db2.gz CELINNCWLOZTAY-LLVKDONJSA-N 2 0 341.456 -0.071 20 0 EBADRP COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130808720 828944257 /nfs/dbraw/zinc/94/42/57/828944257.db2.gz OKMIKZJMIUHQKH-CABCVRRESA-N 2 0 343.468 -0.267 20 0 EBADRP COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130808721 828944303 /nfs/dbraw/zinc/94/43/03/828944303.db2.gz OKMIKZJMIUHQKH-GJZGRUSLSA-N 2 0 343.468 -0.267 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130808615 828944467 /nfs/dbraw/zinc/94/44/67/828944467.db2.gz ITSIWPZMMXJPHS-AWEZNQCLSA-N 2 0 329.441 -0.656 20 0 EBADRP O=C(C[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1)NC1CCOCC1 ZINC001130867977 828983117 /nfs/dbraw/zinc/98/31/17/828983117.db2.gz UNWAHLDTAZLBBA-UHFFFAOYSA-N 2 0 345.403 -0.051 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130874599 828985602 /nfs/dbraw/zinc/98/56/02/828985602.db2.gz GGQOYMGKMPAEKN-JTQLQIEISA-N 2 0 332.364 -0.502 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCOC2)C1 ZINC001184876541 833342479 /nfs/dbraw/zinc/34/24/79/833342479.db2.gz JOOXVOIDOZJOMG-RRFJBIMHSA-N 2 0 338.452 -0.576 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001184962009 833344332 /nfs/dbraw/zinc/34/43/32/833344332.db2.gz MJTIPPAGTWBKSY-UPJWGTAASA-N 2 0 339.440 -0.495 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@H]([NH2+]CCOCCO)C1 ZINC001211093354 837386391 /nfs/dbraw/zinc/38/63/91/837386391.db2.gz WMVBIMKXMUXANO-HOTGVXAUSA-N 2 0 343.468 -0.456 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001185158656 833348320 /nfs/dbraw/zinc/34/83/20/833348320.db2.gz TYXAXPRKHYEJAB-SDDRHHMPSA-N 2 0 325.413 -0.898 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([NH2+]CCCS(C)(=O)=O)C2)CC1 ZINC001185214913 833350160 /nfs/dbraw/zinc/35/01/60/833350160.db2.gz YNBDLYTUPXPKHG-CYBMUJFWSA-N 2 0 331.482 -0.047 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185238825 833351094 /nfs/dbraw/zinc/35/10/94/833351094.db2.gz TZIINYLDKYHBJE-CHWSQXEVSA-N 2 0 341.456 -0.247 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1)C(=O)NC(=O)NC1CC1 ZINC001185401246 833357887 /nfs/dbraw/zinc/35/78/87/833357887.db2.gz NTIIFJDQBTXYTQ-DGCLKSJQSA-N 2 0 339.440 -0.495 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1 ZINC001185401543 833357955 /nfs/dbraw/zinc/35/79/55/833357955.db2.gz SAHPFCIUUOJBNQ-ZIAGYGMSSA-N 2 0 326.441 -0.719 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185415663 833358236 /nfs/dbraw/zinc/35/82/36/833358236.db2.gz CWLMRNLUPKZRRK-CYBMUJFWSA-N 2 0 334.486 -0.590 20 0 EBADRP COCCS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185416633 833358443 /nfs/dbraw/zinc/35/84/43/833358443.db2.gz ZTEUWXMDWFUFOY-CQSZACIVSA-N 2 0 349.497 -0.420 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)CC[C@@H]1C[NH2+]CC(=O)N(C)C ZINC001185502075 833360362 /nfs/dbraw/zinc/36/03/62/833360362.db2.gz LBPNDNUPQBATCK-HUUCEWRRSA-N 2 0 342.484 -0.273 20 0 EBADRP O=C(NCC[NH2+]CCN1C(=O)CCC1=O)c1ccc2c[nH+]cn2c1 ZINC001131375360 829118699 /nfs/dbraw/zinc/11/86/99/829118699.db2.gz ZKPMBHXCWXILBX-UHFFFAOYSA-N 2 0 329.360 -0.197 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC(=O)NCC[N@@H+](CC2CC2)CC1 ZINC001131393107 829130256 /nfs/dbraw/zinc/13/02/56/829130256.db2.gz MWGXLGUPLHARSC-UHFFFAOYSA-N 2 0 340.468 -0.375 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185682993 833366710 /nfs/dbraw/zinc/36/67/10/833366710.db2.gz VNMCFQXZJUFADJ-CHWSQXEVSA-N 2 0 339.440 -0.649 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCNS(=O)(=O)CC)C1)[NH+](C)C ZINC001185716423 833367862 /nfs/dbraw/zinc/36/78/62/833367862.db2.gz XJVOJNAVWAHKPR-OLZOCXBDSA-N 2 0 334.486 -0.544 20 0 EBADRP Cc1cc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)ncn1 ZINC001131519423 829151172 /nfs/dbraw/zinc/15/11/72/829151172.db2.gz DXLLJTLPGIUQFU-GULBITTBSA-N 2 0 331.420 -0.146 20 0 EBADRP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519898 829152749 /nfs/dbraw/zinc/15/27/49/829152749.db2.gz NBAKFZZQWPCQLR-SMOJQAGNSA-N 2 0 338.452 -0.530 20 0 EBADRP C[N@H+](CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1)CC(C)(C)C ZINC001185730758 833368668 /nfs/dbraw/zinc/36/86/68/833368668.db2.gz GHBLFMCMTWVPDE-CYBMUJFWSA-N 2 0 348.513 -0.296 20 0 EBADRP C[C@@H](COCC(=O)N1CC[C@@H]([NH2+]CCOCCO)C1)[NH+]1CCCC1 ZINC001185743913 833369111 /nfs/dbraw/zinc/36/91/11/833369111.db2.gz ZUKTUNWLQHRXKN-JKSUJKDBSA-N 2 0 343.468 -0.313 20 0 EBADRP COCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)COCC[NH+](C)C)C[C@H](C)O2 ZINC001131692496 829187239 /nfs/dbraw/zinc/18/72/39/829187239.db2.gz HSNKBBZLFFVUQC-DOTOQJQBSA-N 2 0 343.468 -0.097 20 0 EBADRP C[NH+](C)C1(CC(=O)NCC[NH2+]CC(=O)N2CCOCC2)CCCC1 ZINC001131836815 829239066 /nfs/dbraw/zinc/23/90/66/829239066.db2.gz BSIXZUYZNOZOJY-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP C[NH+]1CCC(CC(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001186082657 833388045 /nfs/dbraw/zinc/38/80/45/833388045.db2.gz MQAWSQBPJSJNBE-GFCCVEGCSA-N 2 0 325.413 -0.896 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1)C(=O)NC(N)=O ZINC001186090785 833388573 /nfs/dbraw/zinc/38/85/73/833388573.db2.gz QBBNHDLQNOLIQG-DGCLKSJQSA-N 2 0 339.440 -0.508 20 0 EBADRP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001186234538 833393186 /nfs/dbraw/zinc/39/31/86/833393186.db2.gz JKEGTDYABCNUKO-CQSZACIVSA-N 2 0 336.440 -0.663 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H](C[NH2+]CCO)C3(C2)CCOCC3)C1 ZINC001186551956 833405632 /nfs/dbraw/zinc/40/56/32/833405632.db2.gz AZTKMZOOGJJKJZ-GJZGRUSLSA-N 2 0 325.453 -0.225 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001132736474 829511877 /nfs/dbraw/zinc/51/18/77/829511877.db2.gz ASHMWCIESCFZSD-AWEZNQCLSA-N 2 0 325.457 -0.161 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC2CC2)C1 ZINC001132852125 829536708 /nfs/dbraw/zinc/53/67/08/829536708.db2.gz IAXFRJAQULSZCH-TZMCWYRMSA-N 2 0 326.441 -0.532 20 0 EBADRP CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132852802 829537916 /nfs/dbraw/zinc/53/79/16/829537916.db2.gz UTRBYQSDIPLFFQ-HUUCEWRRSA-N 2 0 342.484 -0.038 20 0 EBADRP CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132852800 829537971 /nfs/dbraw/zinc/53/79/71/829537971.db2.gz UTRBYQSDIPLFFQ-CABCVRRESA-N 2 0 342.484 -0.038 20 0 EBADRP CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132853266 829537992 /nfs/dbraw/zinc/53/79/92/829537992.db2.gz YXLNLEHEPNVRGJ-KBPBESRZSA-N 2 0 328.457 -0.284 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886756 829544550 /nfs/dbraw/zinc/54/45/50/829544550.db2.gz UAIYEUZGSZQDLQ-KKUMJFAQSA-N 2 0 331.457 -0.554 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132983816 829567099 /nfs/dbraw/zinc/56/70/99/829567099.db2.gz MBYAQZROBIKZMP-CQSZACIVSA-N 2 0 343.424 -0.316 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)c1occc1C[NH+](C)C)C(=O)NC(N)=O ZINC001132985711 829567918 /nfs/dbraw/zinc/56/79/18/829567918.db2.gz OPBPCPVSOGZTQA-SECBINFHSA-N 2 0 325.369 -0.756 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CC[C@H]2CCS(=O)(=O)C2)CC1 ZINC001132993081 829568002 /nfs/dbraw/zinc/56/80/02/829568002.db2.gz MSKLONULTRTDFD-ZDUSSCGKSA-N 2 0 331.482 -0.141 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132995178 829568554 /nfs/dbraw/zinc/56/85/54/829568554.db2.gz NGUDCLVTINCDQJ-UHFFFAOYSA-N 2 0 341.456 -0.484 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC001132995058 829568875 /nfs/dbraw/zinc/56/88/75/829568875.db2.gz KFRQPSSBYGBBHE-LSDHHAIUSA-N 2 0 343.468 -0.410 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC001133001359 829572243 /nfs/dbraw/zinc/57/22/43/829572243.db2.gz YPSLBPLCUMGKFM-UHFFFAOYSA-N 2 0 339.440 -0.636 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C)C[C@H](C)O1 ZINC001133051651 829577497 /nfs/dbraw/zinc/57/74/97/829577497.db2.gz JWAIMYQBBBNAEG-OKILXGFUSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)CCC[NH+](C)C)C(=O)NC[C@H]1CCCO1 ZINC001133051844 829578927 /nfs/dbraw/zinc/57/89/27/829578927.db2.gz RJGOBZLGTBMTKG-UONOGXRCSA-N 2 0 328.457 -0.282 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133281897 829615221 /nfs/dbraw/zinc/61/52/21/829615221.db2.gz SAKXKTZPVOZHKZ-UHFFFAOYSA-N 2 0 341.456 -0.484 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C1CC[NH+](C)CC1)C(=O)NC(=O)NC1CC1 ZINC001133286115 829616098 /nfs/dbraw/zinc/61/60/98/829616098.db2.gz XXTRYOOLBMYOLW-LLVKDONJSA-N 2 0 339.440 -0.589 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001186817615 833430775 /nfs/dbraw/zinc/43/07/75/833430775.db2.gz ZWIHRYNJHVEKAY-VXGBXAGGSA-N 2 0 327.429 -0.637 20 0 EBADRP CC(C)[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1)[NH+](C)C ZINC001133415749 829630347 /nfs/dbraw/zinc/63/03/47/829630347.db2.gz MSQDIYOWODJXRM-DZGCQCFKSA-N 2 0 328.457 -0.426 20 0 EBADRP CC(C)[C@H](C(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1)[NH+](C)C ZINC001133434376 829631398 /nfs/dbraw/zinc/63/13/98/829631398.db2.gz OLELIMMJCLITGR-GOEBONIOSA-N 2 0 345.484 -0.165 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O)[NH+](CC)CC ZINC001133690494 829662221 /nfs/dbraw/zinc/66/22/21/829662221.db2.gz MZNWXWXWOHSBJV-ZDUSSCGKSA-N 2 0 341.456 -0.246 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]CCNC(=O)C[N@H+]2CCC[C@H]2C)s1 ZINC001133819396 829679240 /nfs/dbraw/zinc/67/92/40/829679240.db2.gz AWGQZTVZDOVMOA-SNVBAGLBSA-N 2 0 340.453 -0.025 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001133823881 829679668 /nfs/dbraw/zinc/67/96/68/829679668.db2.gz ROCXTBNKFCTBLX-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C)C(=O)NC(=O)NC1CC1 ZINC001133834238 829681067 /nfs/dbraw/zinc/68/10/67/829681067.db2.gz RSVMWEZMTRKLNM-RYUDHWBXSA-N 2 0 339.440 -0.447 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001133834391 829681900 /nfs/dbraw/zinc/68/19/00/829681900.db2.gz WAMUDJUWESTNAC-LBPRGKRZSA-N 2 0 339.440 -0.493 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133850686 829686643 /nfs/dbraw/zinc/68/66/43/829686643.db2.gz QAHQHNUCAXALIG-KGLIPLIRSA-N 2 0 328.457 -0.425 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133849815 829686920 /nfs/dbraw/zinc/68/69/20/829686920.db2.gz DXJVHEUBQBNSPH-QWHCGFSZSA-N 2 0 341.456 -0.343 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCc1nnnn1CC(F)(F)F ZINC001133862000 829688059 /nfs/dbraw/zinc/68/80/59/829688059.db2.gz AEOICLCHXSJZEE-ZJUUUORDSA-N 2 0 349.361 -0.361 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001133862823 829688446 /nfs/dbraw/zinc/68/84/46/829688446.db2.gz GKLXOEPKNPWEAK-OLZOCXBDSA-N 2 0 334.486 -0.829 20 0 EBADRP Cc1n[nH]c(C)c1NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133865787 829689199 /nfs/dbraw/zinc/68/91/99/829689199.db2.gz GSBPURUSWNJWHQ-GWCFXTLKSA-N 2 0 336.440 -0.131 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001133868134 829691273 /nfs/dbraw/zinc/69/12/73/829691273.db2.gz ZPTPWQWLAAECPS-JSGCOSHPSA-N 2 0 326.441 -0.815 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC1CCS(=O)(=O)CC1 ZINC001133869738 829691535 /nfs/dbraw/zinc/69/15/35/829691535.db2.gz KGWWZCPBGHKQCW-GXTWGEPZSA-N 2 0 331.482 -0.285 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133908625 829697453 /nfs/dbraw/zinc/69/74/53/829697453.db2.gz ZSGDAYGQFRTYJV-UHFFFAOYSA-N 2 0 336.502 -0.391 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)[NH+](C)C ZINC001133965608 829706837 /nfs/dbraw/zinc/70/68/37/829706837.db2.gz AXVUELPPNHPBPA-STQMWFEESA-N 2 0 336.440 -0.429 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F)[NH+](C)C ZINC001133966025 829707906 /nfs/dbraw/zinc/70/79/06/829707906.db2.gz UGOZSZLBWOKZJG-QWRGUYRKSA-N 2 0 329.363 -0.028 20 0 EBADRP C[C@H](COCC(=O)NCC[NH2+]CCCS(C)(=O)=O)[NH+]1CCCC1 ZINC001134020447 829713064 /nfs/dbraw/zinc/71/30/64/829713064.db2.gz ASBFICBHUOMVEI-CQSZACIVSA-N 2 0 349.497 -0.372 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001134736369 829837075 /nfs/dbraw/zinc/83/70/75/829837075.db2.gz DATGBLJTCHKPDP-QWHCGFSZSA-N 2 0 328.457 -0.297 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001134763382 829841426 /nfs/dbraw/zinc/84/14/26/829841426.db2.gz WOSWAJRNMXGEEV-GFCCVEGCSA-N 2 0 327.429 -0.589 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001134762964 829841997 /nfs/dbraw/zinc/84/19/97/829841997.db2.gz IXYUAJVOXCWGFC-AWEZNQCLSA-N 2 0 348.513 -0.154 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001134774267 829843999 /nfs/dbraw/zinc/84/39/99/829843999.db2.gz WZQRUOSPZSEUSW-GHMZBOCLSA-N 2 0 329.445 -0.216 20 0 EBADRP C[NH+]1CCC(CC(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCOC2)CC1 ZINC001134782491 829844863 /nfs/dbraw/zinc/84/48/63/829844863.db2.gz HWDYQMGABRKYII-HNNXBMFYSA-N 2 0 340.468 -0.423 20 0 EBADRP C[NH+]1CCC(CC(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)CC1 ZINC001134780495 829844918 /nfs/dbraw/zinc/84/49/18/829844918.db2.gz JJVQDPQPIVUNKM-HNNXBMFYSA-N 2 0 340.468 -0.593 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135102842 829897822 /nfs/dbraw/zinc/89/78/22/829897822.db2.gz OZLXVWBJESXSEO-CVEARBPZSA-N 2 0 340.468 -0.138 20 0 EBADRP CCn1nncc1C[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135114421 829899140 /nfs/dbraw/zinc/89/91/40/829899140.db2.gz DEHSTNLCWYPCGF-UHFFFAOYSA-N 2 0 334.428 -0.424 20 0 EBADRP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135114826 829900204 /nfs/dbraw/zinc/90/02/04/829900204.db2.gz PHLBYKGHYGKWQU-ZDUSSCGKSA-N 2 0 338.456 -0.321 20 0 EBADRP Cc1nc(C)n(CC[NH2+]CCNC(=O)c2cnn(CC[NH+](C)C)c2)n1 ZINC001135118151 829900370 /nfs/dbraw/zinc/90/03/70/829900370.db2.gz HOKBTKSGUOEDRC-UHFFFAOYSA-N 2 0 348.455 -0.327 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135297850 829941503 /nfs/dbraw/zinc/94/15/03/829941503.db2.gz IDUQPNWXVLPVGF-RYUDHWBXSA-N 2 0 341.456 -0.343 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135314755 829943917 /nfs/dbraw/zinc/94/39/17/829943917.db2.gz GQWGWBCKKIYVNS-NEPJUHHUSA-N 2 0 329.445 -0.343 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CCN1C(=O)CNC1=O)NC(=O)CCC[NH+](C)C ZINC001135316362 829944048 /nfs/dbraw/zinc/94/40/48/829944048.db2.gz UUQQSPFYQZLTLH-STQMWFEESA-N 2 0 341.456 -0.247 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CCC[NH+](C)C ZINC001135314641 829944114 /nfs/dbraw/zinc/94/41/14/829944114.db2.gz DVJHVMKQUMFKCB-RYUDHWBXSA-N 2 0 326.445 -0.177 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135337324 829948141 /nfs/dbraw/zinc/94/81/41/829948141.db2.gz ZXGBQXUPKGYCBI-GFCCVEGCSA-N 2 0 349.435 -0.088 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135371171 829955694 /nfs/dbraw/zinc/95/56/94/829955694.db2.gz DPDBMMYVTVFCBS-NWDGAFQWSA-N 2 0 329.445 -0.343 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135373208 829956190 /nfs/dbraw/zinc/95/61/90/829956190.db2.gz VLAZQFKAERZINW-STQMWFEESA-N 2 0 336.502 -0.250 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)[NH2+]CCN1C(=O)CCC1=O ZINC001135380257 829956504 /nfs/dbraw/zinc/95/65/04/829956504.db2.gz XJCQGJRVEIYULG-OLZOCXBDSA-N 2 0 326.441 -0.040 20 0 EBADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC)C(C)C ZINC001135478251 829974812 /nfs/dbraw/zinc/97/48/12/829974812.db2.gz YPJYNHSQLKQPRQ-ZDUSSCGKSA-N 2 0 329.445 -0.486 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001135513649 829979537 /nfs/dbraw/zinc/97/95/37/829979537.db2.gz SYMXAMJOPJFOAE-KBPBESRZSA-N 2 0 328.457 -0.282 20 0 EBADRP CC1CC[NH+](CC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)CC1 ZINC001135688421 830009362 /nfs/dbraw/zinc/00/93/62/830009362.db2.gz PISMQHYNQAQXPL-UHFFFAOYSA-N 2 0 334.486 -0.685 20 0 EBADRP CC1CC[NH+](CC(=O)NCC[NH2+]CCCN2C(=O)CNC2=O)CC1 ZINC001135702773 830013005 /nfs/dbraw/zinc/01/30/05/830013005.db2.gz RVBJTAMQURQXQN-UHFFFAOYSA-N 2 0 339.440 -0.634 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135707096 830014277 /nfs/dbraw/zinc/01/42/77/830014277.db2.gz UWDOWOOOXFPPEB-UHFFFAOYSA-N 2 0 327.429 -0.730 20 0 EBADRP CC(C)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135924657 830047441 /nfs/dbraw/zinc/04/74/41/830047441.db2.gz UXKQGFKRWWRXHH-KBPBESRZSA-N 2 0 330.473 -0.038 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C12CC[NH+](CC1)C2 ZINC001135937981 830048655 /nfs/dbraw/zinc/04/86/55/830048655.db2.gz CHEIPVSBCIJVSU-VXGBXAGGSA-N 2 0 336.440 -0.423 20 0 EBADRP C[C@H](NC(=O)C[NH2+]CCNC(=O)COC1CC[NH+](C)CC1)C1CC1 ZINC001135963572 830053103 /nfs/dbraw/zinc/05/31/03/830053103.db2.gz USMFURVSHPAPLE-ZDUSSCGKSA-N 2 0 340.468 -0.282 20 0 EBADRP CC(C)N1CC[C@@H]([NH2+]CCNC(=O)COC2CC[NH+](C)CC2)C1=O ZINC001135963514 830053491 /nfs/dbraw/zinc/05/34/91/830053491.db2.gz QYAIBQANRBOUHX-OAHLLOKOSA-N 2 0 340.468 -0.188 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001211286054 837421171 /nfs/dbraw/zinc/42/11/71/837421171.db2.gz SFZIXZPQYWDIMY-RYUDHWBXSA-N 2 0 327.429 -0.509 20 0 EBADRP C[NH+]1CC(C(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)C1 ZINC001142593901 830131740 /nfs/dbraw/zinc/13/17/40/830131740.db2.gz OYLOKMURCIFJHC-AEGPPILISA-N 2 0 331.420 -0.004 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001146710650 830221851 /nfs/dbraw/zinc/22/18/51/830221851.db2.gz KOYYANCAXJQMDP-KBPBESRZSA-N 2 0 328.457 -0.282 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC001146710654 830221886 /nfs/dbraw/zinc/22/18/86/830221886.db2.gz KOYYANCAXJQMDP-KGLIPLIRSA-N 2 0 328.457 -0.282 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC001146711502 830223449 /nfs/dbraw/zinc/22/34/49/830223449.db2.gz UAQAJXAHCDWKMI-CQSZACIVSA-N 2 0 336.440 -0.427 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001146719968 830223505 /nfs/dbraw/zinc/22/35/05/830223505.db2.gz YQFMOPJCFCNSMZ-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001147359309 830326034 /nfs/dbraw/zinc/32/60/34/830326034.db2.gz NYECSLVIXBAPBX-AWEZNQCLSA-N 2 0 348.513 -0.104 20 0 EBADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001147833708 830418073 /nfs/dbraw/zinc/41/80/73/830418073.db2.gz AKNAROKMOCAYAZ-UONOGXRCSA-N 2 0 338.452 -0.038 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001147886427 830425640 /nfs/dbraw/zinc/42/56/40/830425640.db2.gz WHQYDTCIIUJRDI-LLVKDONJSA-N 2 0 345.362 -0.790 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)COCC[NH+](C)C)C(=O)N1CCCCC1 ZINC001147893815 830427497 /nfs/dbraw/zinc/42/74/97/830427497.db2.gz UOTPZZRSZQEPSW-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977187 830433704 /nfs/dbraw/zinc/43/37/04/830433704.db2.gz MIFOTJREEDTJAQ-KGLIPLIRSA-N 2 0 329.441 -0.800 20 0 EBADRP O=C(NCC[NH2+]C[C@H](O)COC1CCOCC1)C12CC[NH+](CC1)C2 ZINC001147994841 830435241 /nfs/dbraw/zinc/43/52/41/830435241.db2.gz QNSVNGINKFFMQL-AWEZNQCLSA-N 2 0 341.452 -0.656 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001148051814 830443729 /nfs/dbraw/zinc/44/37/29/830443729.db2.gz WVKVDYHYBRNBOP-ZDUSSCGKSA-N 2 0 349.435 -0.238 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC2(C1)CC[NH+](CCOCCO)C2 ZINC001148291699 830465116 /nfs/dbraw/zinc/46/51/16/830465116.db2.gz BBOUMYDENRDYQY-LSDHHAIUSA-N 2 0 325.453 -0.273 20 0 EBADRP CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C2)[NH+](C)C ZINC001148298917 830467646 /nfs/dbraw/zinc/46/76/46/830467646.db2.gz XHRGWCGZWDNOFV-NEPJUHHUSA-N 2 0 339.440 -0.556 20 0 EBADRP C[NH+](C)CCCCC(=O)NCC[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001148365694 830476410 /nfs/dbraw/zinc/47/64/10/830476410.db2.gz WXIKRGNFWKNHFX-UHFFFAOYSA-N 2 0 341.456 -0.246 20 0 EBADRP C[C@@H](NC(=O)C[NH2+]CCNC(=O)CCCC[NH+](C)C)C(=O)N(C)C ZINC001148365526 830476902 /nfs/dbraw/zinc/47/69/02/830476902.db2.gz RXWRBUUCZKFPLO-CYBMUJFWSA-N 2 0 343.472 -0.983 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001148577918 830511694 /nfs/dbraw/zinc/51/16/94/830511694.db2.gz JQYPAEIDXHQQGW-OAHLLOKOSA-N 2 0 345.484 -0.019 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148748241 830537126 /nfs/dbraw/zinc/53/71/26/830537126.db2.gz MTCIACBVBWCUDO-NEPJUHHUSA-N 2 0 337.424 -0.944 20 0 EBADRP COCCOCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001149400282 830658547 /nfs/dbraw/zinc/65/85/47/830658547.db2.gz VOVVGHSUBRJUMW-HZPDHXFCSA-N 2 0 343.468 -0.049 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001149881605 830774123 /nfs/dbraw/zinc/77/41/23/830774123.db2.gz PILSDJJARFWVTQ-PMPSAXMXSA-N 2 0 345.484 -0.213 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150193757 830834135 /nfs/dbraw/zinc/83/41/35/830834135.db2.gz OSAQLGRDQRGGGA-LSDHHAIUSA-N 2 0 343.468 -0.457 20 0 EBADRP CN1CCC[C@@H]([N@@H+]2CCCO[C@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001150240064 830845684 /nfs/dbraw/zinc/84/56/84/830845684.db2.gz AXUREIYJOIEWOC-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001150291866 830858005 /nfs/dbraw/zinc/85/80/05/830858005.db2.gz PILSDJJARFWVTQ-BZUAXINKSA-N 2 0 345.484 -0.213 20 0 EBADRP CC[C@@H](C(=O)NC[C@H]1C[N@H+](C[C@@H](O)COC)CCCO1)[NH+](C)C ZINC001150350775 830871544 /nfs/dbraw/zinc/87/15/44/830871544.db2.gz OHPCEENIWBOSNC-ILXRZTDVSA-N 2 0 331.457 -0.459 20 0 EBADRP C[C@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001150508049 830919275 /nfs/dbraw/zinc/91/92/75/830919275.db2.gz NJYJVKJUFIIZRY-HOCLYGCPSA-N 2 0 343.468 -0.315 20 0 EBADRP C[C@H](O)CCC[N@@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150589493 830939988 /nfs/dbraw/zinc/93/99/88/830939988.db2.gz UNCKCXIVRYBBSJ-JKSUJKDBSA-N 2 0 345.484 -0.067 20 0 EBADRP C[NH+](C)CCCCC(=O)NC[C@@H]1C[N@H+](CCOCCO)CCCO1 ZINC001150607517 830944638 /nfs/dbraw/zinc/94/46/38/830944638.db2.gz UYLYQJWTEIVFJZ-MRXNPFEDSA-N 2 0 345.484 -0.066 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@H+](CCO)CCCO1 ZINC001150724990 830971449 /nfs/dbraw/zinc/97/14/49/830971449.db2.gz SJDUOTAMVBSSSA-GJZGRUSLSA-N 2 0 329.441 -0.846 20 0 EBADRP CNC(=O)CN1CCC(CCOC)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001151021656 831012345 /nfs/dbraw/zinc/01/23/45/831012345.db2.gz ZYMUKBZVIXYUKS-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]C[C@H](O)COCc2ccco2)C1 ZINC001151064692 831020248 /nfs/dbraw/zinc/02/02/48/831020248.db2.gz DEBXQWVTVAQPMS-KGLIPLIRSA-N 2 0 325.409 -0.185 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)C[NH+]1CCCC1)C(=O)NC[C@@H]1CCCO1 ZINC001151107050 831026238 /nfs/dbraw/zinc/02/62/38/831026238.db2.gz PODXJCAAZIOLDG-KBPBESRZSA-N 2 0 326.441 -0.528 20 0 EBADRP CCN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151156379 831032509 /nfs/dbraw/zinc/03/25/09/831032509.db2.gz BEIPTSWXIBHTKS-CABCVRRESA-N 2 0 342.484 -0.083 20 0 EBADRP CCn1nnc(C)c1C[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151156805 831033925 /nfs/dbraw/zinc/03/39/25/831033925.db2.gz HDYBAMGUZPJKHB-CYBMUJFWSA-N 2 0 338.456 -0.219 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCOC[C@@H]1CCCO1 ZINC001151156504 831034279 /nfs/dbraw/zinc/03/42/79/831034279.db2.gz DWANACLLIWMHMC-HOTGVXAUSA-N 2 0 343.468 -0.144 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001151158527 831034932 /nfs/dbraw/zinc/03/49/32/831034932.db2.gz PCSQVBLRUXYUSO-ZIAGYGMSSA-N 2 0 347.481 -0.905 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CCCO[C@H]1CCOC1 ZINC001151157946 831035023 /nfs/dbraw/zinc/03/50/23/831035023.db2.gz NNNVFCJGBKOMGG-CVEARBPZSA-N 2 0 343.468 -0.144 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001151160615 831036143 /nfs/dbraw/zinc/03/61/43/831036143.db2.gz WUUPSCQUIUFGHC-GFCCVEGCSA-N 2 0 339.396 -0.713 20 0 EBADRP CCN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151159383 831036510 /nfs/dbraw/zinc/03/65/10/831036510.db2.gz SRIQHWZTFFEVDP-AWEZNQCLSA-N 2 0 328.457 -0.471 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001151160682 831036966 /nfs/dbraw/zinc/03/69/66/831036966.db2.gz XNFLFGCPPYKYTI-LSDHHAIUSA-N 2 0 340.468 -0.423 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001151159398 831037421 /nfs/dbraw/zinc/03/74/21/831037421.db2.gz STEOXFNCZWAHRS-KGLIPLIRSA-N 2 0 326.441 -0.719 20 0 EBADRP CN(CC[NH2+]CCNC(=O)CCC[NH+]1CCCCC1)S(C)(=O)=O ZINC001151361680 831060685 /nfs/dbraw/zinc/06/06/85/831060685.db2.gz NBSOTEGQXYYGOV-UHFFFAOYSA-N 2 0 348.513 -0.150 20 0 EBADRP C[NH+](C)Cc1cccc(C(=O)NCC[NH2+]CCNS(C)(=O)=O)c1 ZINC001152246257 831144648 /nfs/dbraw/zinc/14/46/48/831144648.db2.gz WBWVUGOMGPHTSL-UHFFFAOYSA-N 2 0 342.465 -0.383 20 0 EBADRP COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152339730 831154106 /nfs/dbraw/zinc/15/41/06/831154106.db2.gz AQBPZRJMCSFVIA-HZPDHXFCSA-N 2 0 345.484 -0.019 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152339782 831154145 /nfs/dbraw/zinc/15/41/45/831154145.db2.gz BFKPJOGZBZUJHR-UHFFFAOYSA-N 2 0 328.457 -0.279 20 0 EBADRP O=C(CC[NH+]1CCCCC1)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001152348956 831154172 /nfs/dbraw/zinc/15/41/72/831154172.db2.gz UEAXNXNXFJZFHH-HNNXBMFYSA-N 2 0 340.468 -0.279 20 0 EBADRP O=C(CC[NH+]1CCCCC1)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001152348929 831154421 /nfs/dbraw/zinc/15/44/21/831154421.db2.gz SPWRNSVVTBVBJB-UHFFFAOYSA-N 2 0 339.440 -0.490 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001152427351 831162097 /nfs/dbraw/zinc/16/20/97/831162097.db2.gz WREXLMJJCZAAAD-CYBMUJFWSA-N 2 0 334.486 -0.686 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC001152444870 831162810 /nfs/dbraw/zinc/16/28/10/831162810.db2.gz ANPCTTJWRDHPNO-ZIAGYGMSSA-N 2 0 328.457 -0.332 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001152451758 831164581 /nfs/dbraw/zinc/16/45/81/831164581.db2.gz GIVJFTWCYCDMAP-CQSZACIVSA-N 2 0 326.441 -0.575 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001152464548 831165310 /nfs/dbraw/zinc/16/53/10/831165310.db2.gz VXBFMUBLALXDNJ-CQSZACIVSA-N 2 0 348.513 -0.248 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)CCCC[NH+]1CCCC1)C(=O)NC(N)=O ZINC001153309314 831222506 /nfs/dbraw/zinc/22/25/06/831222506.db2.gz LVAPGTWSWNOOQB-LBPRGKRZSA-N 2 0 327.429 -0.458 20 0 EBADRP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CCN1C(=O)CNC1=O)[NH+](C)C ZINC001154001355 831298514 /nfs/dbraw/zinc/29/85/14/831298514.db2.gz UJVBCQGJVQQPNT-CHWSQXEVSA-N 2 0 341.456 -0.295 20 0 EBADRP CCOC(=O)c1c(C[NH3+])ncn1-c1ccc(N2CC[NH2+]CC2)nn1 ZINC001155078479 831384579 /nfs/dbraw/zinc/38/45/79/831384579.db2.gz QBXGBWIIEBZBKT-UHFFFAOYSA-N 2 0 331.380 -0.293 20 0 EBADRP C[C@H]1[NH2+]CC[C@H]1Nc1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001155181792 831391050 /nfs/dbraw/zinc/39/10/50/831391050.db2.gz QLXSZFVHBKSEFA-MWLCHTKSSA-N 2 0 325.438 -0.269 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155822157 831433797 /nfs/dbraw/zinc/43/37/97/831433797.db2.gz JXTOAEXBDVUALF-UONOGXRCSA-N 2 0 328.457 -0.282 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001157323850 831553623 /nfs/dbraw/zinc/55/36/23/831553623.db2.gz PZCDSFBFHGBRPZ-ILXRZTDVSA-N 2 0 339.484 -0.580 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001157336310 831554591 /nfs/dbraw/zinc/55/45/91/831554591.db2.gz MRZJSURVTMDYEC-SOUVJXGZSA-N 2 0 339.484 -0.437 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001157324545 831554599 /nfs/dbraw/zinc/55/45/99/831554599.db2.gz ZWUAAKYTJZFKMR-WWGRRREGSA-N 2 0 326.441 -0.495 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)CCN1 ZINC001157335758 831555018 /nfs/dbraw/zinc/55/50/18/831555018.db2.gz JMEOIEKCAXZOLP-STQMWFEESA-N 2 0 327.473 -0.582 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001157336306 831555321 /nfs/dbraw/zinc/55/53/21/831555321.db2.gz MRZJSURVTMDYEC-KKUMJFAQSA-N 2 0 339.484 -0.437 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)[C@@H]1C[NH2+]C[C@@H](O)C1)C(=O)N1CCCC1 ZINC001157369447 831560413 /nfs/dbraw/zinc/56/04/13/831560413.db2.gz SYMFVYTXIBWVSR-IHRRRGAJSA-N 2 0 326.441 -0.807 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)[C@H]([NH3+])Cc1cnc[nH]1)C(=O)N1CCCC1 ZINC001157369783 831561322 /nfs/dbraw/zinc/56/13/22/831561322.db2.gz WNXJJPSKLZWBJW-KGLIPLIRSA-N 2 0 336.440 -0.484 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)C(=O)N1CCCC1 ZINC001157370827 831562385 /nfs/dbraw/zinc/56/23/85/831562385.db2.gz IISAPNILTXSORD-KGLIPLIRSA-N 3 0 337.468 -0.968 20 0 EBADRP CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO ZINC001157413297 831564322 /nfs/dbraw/zinc/56/43/22/831564322.db2.gz BEXVVEVOGBITED-HZMBPMFUSA-N 2 0 335.408 -0.705 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)c1ncn2c1C[NH2+]CC2)C(=O)N1CCCC1 ZINC001157399045 831564538 /nfs/dbraw/zinc/56/45/38/831564538.db2.gz MCIMAOVOLVRIEP-ZDUSSCGKSA-N 2 0 348.451 -0.164 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001157893261 831603126 /nfs/dbraw/zinc/60/31/26/831603126.db2.gz CZALSSGJHGTIBH-ZDUSSCGKSA-N 2 0 334.486 -0.496 20 0 EBADRP Cn1[nH]c(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)nc1=O ZINC001158040471 831622621 /nfs/dbraw/zinc/62/26/21/831622621.db2.gz WZCFVMDASANMFW-CHWSQXEVSA-N 2 0 336.440 -0.421 20 0 EBADRP CCOc1ccc(C[C@H]([NH3+])C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)cc1 ZINC001158092717 831627036 /nfs/dbraw/zinc/62/70/36/831627036.db2.gz PKGYGPVZVCZWMS-YJBOKZPZSA-N 2 0 346.431 -0.354 20 0 EBADRP O=C([C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158093534 831627335 /nfs/dbraw/zinc/62/73/35/831627335.db2.gz WUZMJKPHIMNDOO-JQFCIGGWSA-N 2 0 336.436 -0.774 20 0 EBADRP O=C(c1csc(C2CC[NH2+]CC2)n1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102180 831627837 /nfs/dbraw/zinc/62/78/37/831627837.db2.gz ONGVPQFZMMXZNT-MRXNPFEDSA-N 2 0 349.460 -0.086 20 0 EBADRP COc1cccc([C@H]([NH3+])CC(=O)N2CC(=O)NC[C@]23CC[NH2+]C3)c1 ZINC001158100981 831628018 /nfs/dbraw/zinc/62/80/18/831628018.db2.gz FAEOAHIPWPNATL-RHSMWYFYSA-N 2 0 332.404 -0.224 20 0 EBADRP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158112206 831629229 /nfs/dbraw/zinc/62/92/29/831629229.db2.gz WWYIAUFPFURYOL-QFSBIZTOSA-N 2 0 338.452 -0.545 20 0 EBADRP O=C([C@H]1COC2(C1)CC[NH2+]CC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158111273 831629240 /nfs/dbraw/zinc/62/92/40/831629240.db2.gz MSHAPMAOWLEGJM-ACJLOTCBSA-N 2 0 348.447 -0.917 20 0 EBADRP C[C@H](C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001158119355 831629916 /nfs/dbraw/zinc/62/99/16/831629916.db2.gz GEIYQEHXOKUHJR-NPSOMJIGSA-N 2 0 334.464 -0.051 20 0 EBADRP O=C(NCCC[NH2+]C[C@@H](O)Cn1cccn1)[C@@H]1C[NH+]2CCC1CC2 ZINC001158202225 831638524 /nfs/dbraw/zinc/63/85/24/831638524.db2.gz HNTTWZRVGQLHAQ-HZPDHXFCSA-N 2 0 335.452 -0.318 20 0 EBADRP O=C(NCCC[NH2+]Cc1nnc2n1CCOC2)[C@H]1C[NH+]2CCC1CC2 ZINC001158197324 831638731 /nfs/dbraw/zinc/63/87/31/831638731.db2.gz WOTAZKDGHHSWOF-AWEZNQCLSA-N 2 0 348.451 -0.254 20 0 EBADRP O=C(c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158236292 831639967 /nfs/dbraw/zinc/63/99/67/831639967.db2.gz ZZLZRARYVDGAQQ-GUTXKFCHSA-N 2 0 342.403 -0.033 20 0 EBADRP O=C(c1n[nH]c2c1C[NH2+]C2)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158284996 831643587 /nfs/dbraw/zinc/64/35/87/831643587.db2.gz HJHRZOWUHSXCEU-UHFFFAOYSA-N 2 0 328.380 -0.661 20 0 EBADRP CCn1nncc1C[NH2+]CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001158288485 831643787 /nfs/dbraw/zinc/64/37/87/831643787.db2.gz UQENBZQGGDBILJ-UHFFFAOYSA-N 2 0 348.455 -0.034 20 0 EBADRP O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306425 831645269 /nfs/dbraw/zinc/64/52/69/831645269.db2.gz TVQFZSQJLMYLHB-RWMBFGLXSA-N 2 0 327.450 -0.779 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)Nc2cnccn2)CC[N@@H+]1C ZINC001158420422 831653335 /nfs/dbraw/zinc/65/33/35/831653335.db2.gz BZQZIWWXULOMGQ-CHWSQXEVSA-N 2 0 334.424 -0.149 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCCO2)CC[N@@H+]1C ZINC001158428767 831654725 /nfs/dbraw/zinc/65/47/25/831654725.db2.gz ROTVDRSGKNHXAE-QLFBSQMISA-N 2 0 340.468 -0.282 20 0 EBADRP COCCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158428299 831654903 /nfs/dbraw/zinc/65/49/03/831654903.db2.gz BZNCFGKLCCCCHP-ZIAGYGMSSA-N 2 0 328.457 -0.425 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)NCC1CC1 ZINC001158486881 831659879 /nfs/dbraw/zinc/65/98/79/831659879.db2.gz UGASJHWMMFCYFP-HUUCEWRRSA-N 2 0 338.452 -0.528 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[NH2+]C[C@H]2CCO[C@@H]21 ZINC001158497737 831660617 /nfs/dbraw/zinc/66/06/17/831660617.db2.gz GBSVJMUEISIZGY-DXUDUQDWSA-N 2 0 337.420 -0.637 20 0 EBADRP CS(=O)(=O)CCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158505335 831660950 /nfs/dbraw/zinc/66/09/50/831660950.db2.gz BCBOPVZLXKPLJB-KGLIPLIRSA-N 2 0 347.481 -0.620 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1C[NH2+]Cc2ccnn2C1 ZINC001158496559 831661246 /nfs/dbraw/zinc/66/12/46/831661246.db2.gz SFMWFDODGGBVMG-NZBPQXDJSA-N 2 0 347.419 -0.646 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[NH2+]C[C@@H]2CCO[C@H]21 ZINC001158497739 831661315 /nfs/dbraw/zinc/66/13/15/831661315.db2.gz GBSVJMUEISIZGY-XDSHMYFISA-N 2 0 337.420 -0.637 20 0 EBADRP Cn1cc(CC[NH2+]CCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cn1 ZINC001158506096 831661647 /nfs/dbraw/zinc/66/16/47/831661647.db2.gz GVGAHASBDBSSEJ-CVEARBPZSA-N 2 0 335.452 -0.078 20 0 EBADRP [NH3+][C@H]1CCCCN(CC(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)C1=O ZINC001158547818 831664490 /nfs/dbraw/zinc/66/44/90/831664490.db2.gz PIVFGMGFTJOFCG-QDEZUTFSSA-N 2 0 336.436 -0.694 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(c1ncnc3c1CC[NH2+]CC3)CC2 ZINC001158636397 831672224 /nfs/dbraw/zinc/67/22/24/831672224.db2.gz KYYKIEMYENCLLD-WMLDXEAASA-N 2 0 331.420 -0.104 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCCC[C@@H]1C[N@H+](C)[C@H]1CCNC1=O ZINC001158750546 831683163 /nfs/dbraw/zinc/68/31/63/831683163.db2.gz MHSJVOQTDNYPME-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001158791667 831686335 /nfs/dbraw/zinc/68/63/35/831686335.db2.gz ZGWRBBBDHNBDMO-VXGBXAGGSA-N 2 0 334.424 -0.821 20 0 EBADRP CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001158790370 831686719 /nfs/dbraw/zinc/68/67/19/831686719.db2.gz LLEMJNYIVHYKQQ-OCCSQVGLSA-N 2 0 336.440 -0.303 20 0 EBADRP COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)C1([NH3+])CC1 ZINC001159078109 831706388 /nfs/dbraw/zinc/70/63/88/831706388.db2.gz UXUMCWBBLWCKLG-DOMZBBRYSA-N 2 0 325.409 -0.267 20 0 EBADRP Cn1nnc2c1CCN(C(=O)C1([NH3+])CC1)[C@H]2COCC[NH+]1CCCC1 ZINC001159125628 831710093 /nfs/dbraw/zinc/71/00/93/831710093.db2.gz XAGFPQTVVNKTES-AWEZNQCLSA-N 2 0 348.451 -0.155 20 0 EBADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001159134317 831711286 /nfs/dbraw/zinc/71/12/86/831711286.db2.gz MMAXNRKJYFJVFW-CJNGLKHVSA-N 3 0 334.468 -0.270 20 0 EBADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C1 ZINC001159132987 831711531 /nfs/dbraw/zinc/71/15/31/831711531.db2.gz GJEPDFNCYRWGNN-WBOJAVRRSA-N 2 0 332.452 -0.375 20 0 EBADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)C1 ZINC001159132912 831711649 /nfs/dbraw/zinc/71/16/49/831711649.db2.gz GJEPDFNCYRWGNN-CFAJVAMVSA-N 2 0 332.452 -0.375 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCCC[NH2+]CCN1C(=O)CCC1=O ZINC001159154694 831712611 /nfs/dbraw/zinc/71/26/11/831712611.db2.gz BFCBXLSCSJAMLX-CYBMUJFWSA-N 2 0 344.431 -0.089 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001159154752 831712790 /nfs/dbraw/zinc/71/27/90/831712790.db2.gz BVCDXRNUBBMZMX-WDEREUQCSA-N 2 0 333.408 -0.654 20 0 EBADRP CC(=O)OC[C@H]([NH3+])C(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159160281 831713891 /nfs/dbraw/zinc/71/38/91/831713891.db2.gz HRFWPPLJMYDNSI-HNNXBMFYSA-N 2 0 349.435 -0.246 20 0 EBADRP Nc1ncn(C2=CC[NH2+]CC2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001159397730 831748589 /nfs/dbraw/zinc/74/85/89/831748589.db2.gz SQRIHLZKOPRCPV-PWSUYJOCSA-N 2 0 338.843 -0.176 20 0 EBADRP C[NH2+]CCC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001159609565 831766902 /nfs/dbraw/zinc/76/69/02/831766902.db2.gz IHVSAWIPAOWEOW-UHFFFAOYSA-N 2 0 339.484 -0.707 20 0 EBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159665307 831770298 /nfs/dbraw/zinc/77/02/98/831770298.db2.gz JGIKDLZZMTTZGT-VVLHAWIVSA-N 2 0 346.431 -0.394 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159667131 831771264 /nfs/dbraw/zinc/77/12/64/831771264.db2.gz SSZDKODIQXXCLR-BBWFWOEESA-N 3 0 347.463 -0.051 20 0 EBADRP [NH3+]CCCNCC(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159668020 831772017 /nfs/dbraw/zinc/77/20/17/831772017.db2.gz WJHAWMSHUZWDJW-IRXDYDNUSA-N 2 0 347.463 -0.178 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001159800765 831783861 /nfs/dbraw/zinc/78/38/61/831783861.db2.gz YBURZUUCELGJCR-UONOGXRCSA-N 2 0 331.424 -0.196 20 0 EBADRP COC[C@@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159854641 831788880 /nfs/dbraw/zinc/78/88/80/831788880.db2.gz PGFODSZIZJZASL-HUUCEWRRSA-N 2 0 345.484 -0.021 20 0 EBADRP COC[C@H](C)OC[C@@H](O)C[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159854640 831789078 /nfs/dbraw/zinc/78/90/78/831789078.db2.gz PGFODSZIZJZASL-GJZGRUSLSA-N 2 0 345.484 -0.021 20 0 EBADRP C[NH+](C)C1(C(=O)NCCC[NH2+]Cc2nnc3n2CCOC3)CCC1 ZINC001159854616 831789286 /nfs/dbraw/zinc/78/92/86/831789286.db2.gz PAKDOWKGLCXJGK-UHFFFAOYSA-N 2 0 336.440 -0.112 20 0 EBADRP CCOC(=O)CN(CC[NH3+])c1ncccc1C(=O)N1CC[NH2+]CC1 ZINC001159864447 831789737 /nfs/dbraw/zinc/78/97/37/831789737.db2.gz CFHQKCMSYZZQGY-UHFFFAOYSA-N 2 0 335.408 -0.545 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159915793 831796364 /nfs/dbraw/zinc/79/63/64/831796364.db2.gz NWVDDUWMANAKNG-AWEZNQCLSA-N 2 0 341.456 -0.342 20 0 EBADRP COCCCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159914552 831796414 /nfs/dbraw/zinc/79/64/14/831796414.db2.gz DVRMNTIONCEBIV-OAHLLOKOSA-N 2 0 328.457 -0.425 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001159911426 831796618 /nfs/dbraw/zinc/79/66/18/831796618.db2.gz YLEUEEGZYXKMJP-STQMWFEESA-N 2 0 341.456 -0.071 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159932458 831798953 /nfs/dbraw/zinc/79/89/53/831798953.db2.gz RSFGBLKCZXLPFT-JQWIXIFHSA-N 2 0 327.429 -0.733 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159931498 831799040 /nfs/dbraw/zinc/79/90/40/831799040.db2.gz DZVLNXDSRUZTNR-HIFRSBDPSA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@@H](C2CC2)[NH+](C)C)CCO1 ZINC001159931817 831799124 /nfs/dbraw/zinc/79/91/24/831799124.db2.gz JIBWKSBNRWWAMG-CZUORRHYSA-N 2 0 340.468 -0.330 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159997042 831803096 /nfs/dbraw/zinc/80/30/96/831803096.db2.gz COSRVSHKEUTHEA-UHFFFAOYSA-N 2 0 328.457 -0.281 20 0 EBADRP Cc1ccc(N(C(=O)[C@@H](N)CC[NH3+])[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160053874 831810020 /nfs/dbraw/zinc/81/00/20/831810020.db2.gz WLMYWYVWGOXDFZ-JKIFEVAISA-N 2 0 348.451 -0.295 20 0 EBADRP Cc1ccc(N(C(=O)CNCC[NH3+])[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001160060464 831811326 /nfs/dbraw/zinc/81/13/26/831811326.db2.gz VGPWKWMQJNSKJJ-WMLDXEAASA-N 2 0 348.451 -0.423 20 0 EBADRP O=C([C@H]1[NH2+]CC[C@H]1O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160139059 831818417 /nfs/dbraw/zinc/81/84/17/831818417.db2.gz UCYMCRUOJPZKBG-ZQQZQOJVSA-N 2 0 346.431 -0.096 20 0 EBADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160138469 831818876 /nfs/dbraw/zinc/81/88/76/831818876.db2.gz MMFFPOPWBKOCDU-GHYKFQNRSA-N 2 0 346.431 -0.096 20 0 EBADRP CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CCO2 ZINC001160180423 831822847 /nfs/dbraw/zinc/82/28/47/831822847.db2.gz SPOMXALXVBKCTG-ZFWWWQNUSA-N 2 0 344.481 -0.755 20 0 EBADRP Cn1cc(N2C[C@@H]3CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@@H]3C2=O)cn1 ZINC001160217244 831826403 /nfs/dbraw/zinc/82/64/03/831826403.db2.gz LYFOQMSKODIPHP-UBHSHLNASA-N 2 0 334.424 -0.702 20 0 EBADRP CC(=O)NCc1ncn2c1CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CCC2 ZINC001160322622 831836739 /nfs/dbraw/zinc/83/67/39/831836739.db2.gz FGKCVKMBBYFYAJ-ZDUSSCGKSA-N 2 0 336.440 -0.292 20 0 EBADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O)[NH+](C)C ZINC001160427824 831848749 /nfs/dbraw/zinc/84/87/49/831848749.db2.gz UXYSLRCKAPYRLP-ZDUSSCGKSA-N 2 0 327.429 -0.780 20 0 EBADRP C[NH2+]CC1CCN(C(=O)[C@@H]2Cn3cnnc3C23CC[NH2+]CC3)CC1 ZINC001160456750 831853406 /nfs/dbraw/zinc/85/34/06/831853406.db2.gz QKTSCQGDRLEVBZ-AWEZNQCLSA-N 2 0 332.452 -0.013 20 0 EBADRP C[NH2+]CC1CCN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)CC1 ZINC001160456552 831853667 /nfs/dbraw/zinc/85/36/67/831853667.db2.gz MUVVKZIKXIQUPG-ZDUSSCGKSA-N 2 0 333.440 -0.618 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC001160483180 831854289 /nfs/dbraw/zinc/85/42/89/831854289.db2.gz FSHBPKAHUJXHFO-HNNXBMFYSA-N 2 0 339.484 -0.530 20 0 EBADRP CC[NH+](CC)C1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC1 ZINC001160482798 831854948 /nfs/dbraw/zinc/85/49/48/831854948.db2.gz NBTQPYZKULBURW-AAEUAGOBSA-N 2 0 341.456 -0.973 20 0 EBADRP COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160494942 831857054 /nfs/dbraw/zinc/85/70/54/831857054.db2.gz VWICYHBPWUYLGV-ATZCPNFKSA-N 2 0 333.410 -0.941 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC001160504838 831857512 /nfs/dbraw/zinc/85/75/12/831857512.db2.gz AOROCHPNEJYHMI-UONOGXRCSA-N 2 0 326.441 -0.317 20 0 EBADRP Cc1cc2n(n1)c(=O)cc(C)n2C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160565763 831863823 /nfs/dbraw/zinc/86/38/23/831863823.db2.gz VGBZNMQKUBKTJL-CYBMUJFWSA-N 2 0 332.408 -0.497 20 0 EBADRP [NH3+][C@H]1CN[C@H](C(=O)N2c3ccccc3C(=O)NC23CC[NH2+]CC3)C1 ZINC001160589518 831867960 /nfs/dbraw/zinc/86/79/60/831867960.db2.gz XHHRHDPZOFXZFT-YPMHNXCESA-N 2 0 329.404 -0.468 20 0 EBADRP [NH3+][C@@H]1CCN(C(=O)c2ccc(C(=O)NC3CC[NH2+]CC3)cc2)C[C@H]1O ZINC001160655185 831876856 /nfs/dbraw/zinc/87/68/56/831876856.db2.gz JMDFJERDRSAEKU-HZPDHXFCSA-N 2 0 346.431 -0.298 20 0 EBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160779497 831885965 /nfs/dbraw/zinc/88/59/65/831885965.db2.gz IBASVHIDDMTZKK-RKVPGOIHSA-N 2 0 345.447 -0.238 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3CC4(CC4)C[NH2+]3)C[C@H]1C2 ZINC001160794172 831887691 /nfs/dbraw/zinc/88/76/91/831887691.db2.gz MEIGAMDOJPYSJK-MTVAPTMQSA-N 2 0 333.432 -0.014 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)c3n[nH]c4c3C[NH2+]C4)C[C@H]1C[NH2+]CC2 ZINC001160818978 831890433 /nfs/dbraw/zinc/89/04/33/831890433.db2.gz CGVPOQRVPDZSLO-QLJPJBMISA-N 2 0 333.392 -0.372 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)C[C@H]1C[NH2+]CC2 ZINC001160812117 831890462 /nfs/dbraw/zinc/89/04/62/831890462.db2.gz GLSVPPSDAWPAAH-JKIFEVAISA-N 3 0 338.452 -0.686 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]3COC(C)(C)[NH2+]3)C[C@H]1C[NH2+]CC2 ZINC001160812661 831890566 /nfs/dbraw/zinc/89/05/66/831890566.db2.gz QWWDDPAVCMJBEM-BFQNTYOBSA-N 2 0 325.409 -0.288 20 0 EBADRP Nc1cccnc1N1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001160825606 831892119 /nfs/dbraw/zinc/89/21/19/831892119.db2.gz FMSJCZRBLZGRRE-OAHLLOKOSA-N 2 0 347.467 -0.937 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCn2nncc2C1 ZINC001160831800 831892226 /nfs/dbraw/zinc/89/22/26/831892226.db2.gz DHUYZBLAAHDDMA-KBPBESRZSA-N 2 0 349.439 -0.932 20 0 EBADRP COC(=O)C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001160833756 831892244 /nfs/dbraw/zinc/89/22/44/831892244.db2.gz UASSSBJIXHHVMU-GXTWGEPZSA-N 2 0 326.441 -0.462 20 0 EBADRP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+] ZINC001160840612 831892921 /nfs/dbraw/zinc/89/29/21/831892921.db2.gz YPDKKIUVXSGECY-CVEARBPZSA-N 2 0 348.447 -0.538 20 0 EBADRP CC[C@H](C(=O)NCCC[NH2+]CC(=O)Nc1nncs1)[NH+](C)C ZINC001160883883 831903066 /nfs/dbraw/zinc/90/30/66/831903066.db2.gz XUUOOOSJAMKFTD-SNVBAGLBSA-N 2 0 328.442 -0.087 20 0 EBADRP [NH3+][C@H]1CN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)CC(F)(F)C1 ZINC001160967124 831911042 /nfs/dbraw/zinc/91/10/42/831911042.db2.gz JASGGRLDNTYILB-NXEZZACHSA-N 2 0 341.366 -0.881 20 0 EBADRP C[N@@H+]1C[C@H](C(=O)N2C[C@H]([NH3+])CC(F)(F)C2)OC2(CC[NH2+]CC2)C1 ZINC001160966888 831911278 /nfs/dbraw/zinc/91/12/78/831911278.db2.gz FDCQUOPDYGLTOR-VXGBXAGGSA-N 3 0 332.395 -0.366 20 0 EBADRP C[NH+]1CCC2(CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC2)CC1 ZINC001160993463 831912424 /nfs/dbraw/zinc/91/24/24/831912424.db2.gz SFMMXUXASGUHTF-UHFFFAOYSA-N 2 0 346.497 -0.459 20 0 EBADRP O=C([C@@H]1CCCCN1[C@H]1CC[NH2+]C1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161010113 831913337 /nfs/dbraw/zinc/91/33/37/831913337.db2.gz ZCNMUZDKVBUBGQ-JYJNAYRXSA-N 2 0 336.480 -0.082 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001161041522 831916081 /nfs/dbraw/zinc/91/60/81/831916081.db2.gz JVOMHWQJGBRZGX-LSDHHAIUSA-N 2 0 340.468 -0.450 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161052193 831918204 /nfs/dbraw/zinc/91/82/04/831918204.db2.gz IUQALLBLWZCHEO-ZDUSSCGKSA-N 2 0 334.486 -0.494 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC001161053743 831918317 /nfs/dbraw/zinc/91/83/17/831918317.db2.gz YJGXZZNSMBPKDT-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161065245 831919162 /nfs/dbraw/zinc/91/91/62/831919162.db2.gz VWRKTJNVBZUJJY-RWMBFGLXSA-N 2 0 328.457 -0.027 20 0 EBADRP CCOC(=O)[C@@H]1COCCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001161093458 831923214 /nfs/dbraw/zinc/92/32/14/831923214.db2.gz OOPJPTBFYURILL-OLZOCXBDSA-N 2 0 325.409 -0.349 20 0 EBADRP CCOC(=O)CN(CCC[NH3+])C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001161158277 831933828 /nfs/dbraw/zinc/93/38/28/831933828.db2.gz SOBKTONKIONBKV-LBPRGKRZSA-N 2 0 328.413 -0.933 20 0 EBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001161158667 831933948 /nfs/dbraw/zinc/93/39/48/831933948.db2.gz ZQHUTJWMZVYBCM-ZDUSSCGKSA-N 2 0 327.425 -0.114 20 0 EBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(C)CC[N@H+](C)Cc1ccccc1 ZINC001161160708 831934134 /nfs/dbraw/zinc/93/41/34/831934134.db2.gz DQBGVEZIMUBMPV-ZFWWWQNUSA-N 2 0 336.436 -0.599 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]CCNS(=O)(=O)CC ZINC001161226411 831938658 /nfs/dbraw/zinc/93/86/58/831938658.db2.gz GXXHASBZSVBTHY-UHFFFAOYSA-N 2 0 336.502 -0.248 20 0 EBADRP CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)[C@@H]1CCC2(C1)OCCO2 ZINC001161220503 831938951 /nfs/dbraw/zinc/93/89/51/831938951.db2.gz ZMOAQCVOASAIPG-ZIAGYGMSSA-N 2 0 326.441 -0.509 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001161251296 831941579 /nfs/dbraw/zinc/94/15/79/831941579.db2.gz MYMIFWIOYRXEPJ-UHFFFAOYSA-N 2 0 341.456 -0.199 20 0 EBADRP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161270731 831943981 /nfs/dbraw/zinc/94/39/81/831943981.db2.gz RARZSRSURMFXEP-HOTGVXAUSA-N 2 0 345.447 -0.507 20 0 EBADRP COc1cnc(O[C@H]2CCN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C2)nc1 ZINC001161298202 831945500 /nfs/dbraw/zinc/94/55/00/831945500.db2.gz ILMXPAGCVKKLAJ-WCQYABFASA-N 2 0 333.392 -0.726 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC[C@@H](Oc2ncccn2)C1 ZINC001161296681 831945630 /nfs/dbraw/zinc/94/56/30/831945630.db2.gz OQXWGPFPKDIBKQ-HUUCEWRRSA-N 2 0 348.451 -0.403 20 0 EBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161381110 831951317 /nfs/dbraw/zinc/95/13/17/831951317.db2.gz MOOKBSIQMWKEEV-CVEARBPZSA-N 2 0 339.484 -0.356 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161389143 831952686 /nfs/dbraw/zinc/95/26/86/831952686.db2.gz NMXXUEOWLAAEKD-JKSUJKDBSA-N 3 0 339.484 -0.940 20 0 EBADRP CCn1nnc2c1[C@@H](C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1)CNC2 ZINC001161442952 831958165 /nfs/dbraw/zinc/95/81/65/831958165.db2.gz JFXDTAVHYICSDZ-KGLIPLIRSA-N 2 0 349.483 -0.373 20 0 EBADRP C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161450062 831958611 /nfs/dbraw/zinc/95/86/11/831958611.db2.gz ZJBYWWPOTQIDCH-KJWHEZOQSA-N 2 0 340.468 -0.740 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161449348 831958839 /nfs/dbraw/zinc/95/88/39/831958839.db2.gz MEKSVYGREVVCOZ-RBSFLKMASA-N 3 0 340.468 -0.473 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@@]2(C(=O)OC)CC[NH2+][C@@H]2C1 ZINC001161476262 831962379 /nfs/dbraw/zinc/96/23/79/831962379.db2.gz CDLDFUNODSBWRM-ZENOOKHLSA-N 3 0 326.441 -0.543 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C[C@@H]1C[NH2+]CC1(F)F)CC2 ZINC001161479422 831963531 /nfs/dbraw/zinc/96/35/31/831963531.db2.gz KUMZREKMEIFWJP-GYSYKLTISA-N 2 0 331.363 -0.015 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)c1n[nH]c3c1CC[NH2+]C3)CC2 ZINC001161480815 831964124 /nfs/dbraw/zinc/96/41/24/831964124.db2.gz BJIQNMBXOGTAPY-MLGOLLRUSA-N 2 0 333.392 -0.577 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@]1(C)CC[NH2+]C[C@@H]1O)CC2 ZINC001161481833 831964623 /nfs/dbraw/zinc/96/46/23/831964623.db2.gz ZBPMZLVQWCVXIK-KNPMLCFXSA-N 2 0 325.409 -0.900 20 0 EBADRP CO[C@@H]1CN(C(=O)c2ccc3c(c2)[C@@H]2C[NH2+]C[C@@H]2NC3=O)C[C@@H]1[NH3+] ZINC001161493194 831966019 /nfs/dbraw/zinc/96/60/19/831966019.db2.gz GIEZGCCJXBSVPX-ZQDZILKHSA-N 2 0 330.388 -0.717 20 0 EBADRP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161510436 831967548 /nfs/dbraw/zinc/96/75/48/831967548.db2.gz PBETYVBGOXWSKS-KBPBESRZSA-N 2 0 333.388 -0.367 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001161644848 831980432 /nfs/dbraw/zinc/98/04/32/831980432.db2.gz UDFGDBHAIBQIPJ-OLZOCXBDSA-N 2 0 341.456 -0.214 20 0 EBADRP CNC(=O)[C@H](C)[N@H+]1CC=C(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001161699265 831983765 /nfs/dbraw/zinc/98/37/65/831983765.db2.gz QIRFLFSMIQGGPT-AWEZNQCLSA-N 2 0 340.468 -0.163 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001161789185 831992569 /nfs/dbraw/zinc/99/25/69/831992569.db2.gz IMGHSEQPSRQMKF-UHFFFAOYSA-N 2 0 325.413 -0.834 20 0 EBADRP COC(=O)[C@H](C[NH3+])Cc1ccc(N(CC[NH3+])S(C)(=O)=O)cc1 ZINC001162131495 832020668 /nfs/dbraw/zinc/02/06/68/832020668.db2.gz WGUPWLWWPSRJFG-LBPRGKRZSA-N 2 0 329.422 -0.298 20 0 EBADRP O=C(NCCC[NH2+][C@H]1CCNC1=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001162317131 832034057 /nfs/dbraw/zinc/03/40/57/832034057.db2.gz XELNCEGUOXETOZ-ZDUSSCGKSA-N 2 0 328.376 -0.135 20 0 EBADRP C[C@@]1([NH3+])C[C@H](Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)C1 ZINC001162325369 832034237 /nfs/dbraw/zinc/03/42/37/832034237.db2.gz XALOPYPTJVSCFW-DRQUAOQDSA-N 2 0 349.439 -0.742 20 0 EBADRP COCC1(CNC(=O)CC[NH+](C)C)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001162459213 832047632 /nfs/dbraw/zinc/04/76/32/832047632.db2.gz LERJWDAEDUANQB-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP CNC(=O)[C@H](C)[NH+]1CCC(CNC(=O)CC[NH+](C)C)(COC)CC1 ZINC001162459330 832047934 /nfs/dbraw/zinc/04/79/34/832047934.db2.gz NNFIVPWYAQICLT-AWEZNQCLSA-N 2 0 342.484 -0.083 20 0 EBADRP CNC(=O)C[NH+]1CCC(CNC(=O)CC[NH+](C)C)(COC)CC1 ZINC001162458285 832048053 /nfs/dbraw/zinc/04/80/53/832048053.db2.gz FPEMIUCAZUHPCH-UHFFFAOYSA-N 2 0 328.457 -0.471 20 0 EBADRP O=C(NCCC[NH2+]CCN1C(=O)CNC1=O)c1ccc2c[nH+]cn2c1 ZINC001162618000 832057124 /nfs/dbraw/zinc/05/71/24/832057124.db2.gz YYVZUUKHBMVQTL-UHFFFAOYSA-N 2 0 344.375 -0.404 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001162617781 832057451 /nfs/dbraw/zinc/05/74/51/832057451.db2.gz RWKQADHHTNIXDT-LLVKDONJSA-N 2 0 346.391 -0.112 20 0 EBADRP Cc1nonc1C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872206 832068809 /nfs/dbraw/zinc/06/88/09/832068809.db2.gz KMRQPNBGLCVYLA-UGWHAMFMSA-N 2 0 335.408 -0.163 20 0 EBADRP C[NH+](C)CCCNC(=O)c1cccnc1N[C@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001163238962 832092669 /nfs/dbraw/zinc/09/26/69/832092669.db2.gz PVJSNYIKDIKMHK-CXAGYDPISA-N 2 0 346.435 -0.247 20 0 EBADRP O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ccc3nc([C@@H]4CC[NH2+]C4)nn3c2)N1 ZINC001163252582 832093699 /nfs/dbraw/zinc/09/36/99/832093699.db2.gz ANLMOXPHDJCVOP-RSAASHCRSA-N 2 0 327.392 -0.204 20 0 EBADRP O=C(c1ccc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)cc1)N1CC[NH2+]CC1 ZINC001163254211 832094559 /nfs/dbraw/zinc/09/45/59/832094559.db2.gz QANYCHCWDYKYGI-WMLDXEAASA-N 2 0 329.404 -0.278 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@H]2OC)CC[N@@H+]1C ZINC001212299995 837600878 /nfs/dbraw/zinc/60/08/78/837600878.db2.gz UAZAFIOHJSOFOT-ZJIFWQFVSA-N 2 0 343.468 -0.459 20 0 EBADRP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC001350524623 832173452 /nfs/dbraw/zinc/17/34/52/832173452.db2.gz GRCKZJPHTYTSPT-GOEBONIOSA-N 2 0 340.468 -0.140 20 0 EBADRP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC001350524621 832173486 /nfs/dbraw/zinc/17/34/86/832173486.db2.gz GRCKZJPHTYTSPT-GDBMZVCRSA-N 2 0 340.468 -0.140 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001350798335 832194780 /nfs/dbraw/zinc/19/47/80/832194780.db2.gz WJQYLHAPOAPKHZ-UHFFFAOYSA-N 2 0 340.468 -0.279 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001164535769 832195077 /nfs/dbraw/zinc/19/50/77/832195077.db2.gz DYIDEDJLEQJPCB-OAHLLOKOSA-N 2 0 340.468 -0.188 20 0 EBADRP CCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001164536027 832195238 /nfs/dbraw/zinc/19/52/38/832195238.db2.gz KSLYBULCFGZTLT-CQSZACIVSA-N 2 0 328.457 -0.282 20 0 EBADRP CCN(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001164538715 832196154 /nfs/dbraw/zinc/19/61/54/832196154.db2.gz MGVLRYWSRXRKNF-CQSZACIVSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NCCC[NH2+]CCN2C(=O)CNC2=O)CC[N@@H+]1C ZINC001164576391 832199084 /nfs/dbraw/zinc/19/90/84/832199084.db2.gz BXBRMYQHEKVFHF-STQMWFEESA-N 2 0 339.440 -0.636 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001164577833 832199276 /nfs/dbraw/zinc/19/92/76/832199276.db2.gz UPRNYLYROJCCFV-KBPBESRZSA-N 2 0 348.513 -0.248 20 0 EBADRP C[NH+](C)CCCC(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001165366668 832217920 /nfs/dbraw/zinc/21/79/20/832217920.db2.gz CXTUNODKIXXOLH-CQSZACIVSA-N 2 0 328.457 -0.281 20 0 EBADRP C[C@@H](NC(=O)C[NH2+]CCCNC(=O)CCC[NH+](C)C)C(=O)N(C)C ZINC001165378248 832218396 /nfs/dbraw/zinc/21/83/96/832218396.db2.gz JFMVMSZGOIJQOC-CYBMUJFWSA-N 2 0 343.472 -0.983 20 0 EBADRP C[NH+]1CCC(C(=O)NCCC[NH2+]CC(=O)NC2CCOCC2)CC1 ZINC001165772262 832236814 /nfs/dbraw/zinc/23/68/14/832236814.db2.gz KJUAQCUEYCIGKV-UHFFFAOYSA-N 2 0 340.468 -0.281 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165776631 832237279 /nfs/dbraw/zinc/23/72/79/832237279.db2.gz MDLOOFVJJDCVAJ-LLVKDONJSA-N 2 0 327.429 -0.732 20 0 EBADRP C[NH+]1CCC(C(=O)NCCC[NH2+]CC(=O)N2CCOCC2)CC1 ZINC001165772474 832237348 /nfs/dbraw/zinc/23/73/48/832237348.db2.gz RRMCPLGFZLJFRY-UHFFFAOYSA-N 2 0 326.441 -0.717 20 0 EBADRP COCCS(=O)(=O)CCC[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165780996 832237451 /nfs/dbraw/zinc/23/74/51/832237451.db2.gz BSKJLWQXMUKADJ-UHFFFAOYSA-N 2 0 337.486 -0.515 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165776943 832237625 /nfs/dbraw/zinc/23/76/25/832237625.db2.gz PDTFKTHZDMHQDY-UHFFFAOYSA-N 2 0 328.457 -0.423 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166004527 832245845 /nfs/dbraw/zinc/24/58/45/832245845.db2.gz QJUZJMVSGYNWOI-CYBMUJFWSA-N 2 0 329.445 -0.486 20 0 EBADRP [NH3+]CCCOCCNC(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001351544884 832248621 /nfs/dbraw/zinc/24/86/21/832248621.db2.gz IXPHBHMUGKHRLH-ZDUSSCGKSA-N 2 0 325.417 -0.551 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)Nc2cnccn2)C1 ZINC001166667433 832277370 /nfs/dbraw/zinc/27/73/70/832277370.db2.gz BFHZEFJFPLJPKV-CYBMUJFWSA-N 2 0 334.424 -0.147 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001166668110 832277679 /nfs/dbraw/zinc/27/76/79/832277679.db2.gz RIKATCNPLCGNKM-AWEZNQCLSA-N 2 0 326.441 -0.717 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001166676675 832279220 /nfs/dbraw/zinc/27/92/20/832279220.db2.gz AYGGKABMKITLSC-CABCVRRESA-N 2 0 340.468 -0.593 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166678148 832280401 /nfs/dbraw/zinc/28/04/01/832280401.db2.gz TZXWGOUIBXJUHA-VXGBXAGGSA-N 2 0 327.429 -0.732 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001166707269 832280996 /nfs/dbraw/zinc/28/09/96/832280996.db2.gz FESIRFMZLBMPPC-KBPBESRZSA-N 2 0 326.441 -0.861 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCC(F)(F)F ZINC001166708177 832282327 /nfs/dbraw/zinc/28/23/27/832282327.db2.gz NPYLIIFBSORZKU-MNOVXSKESA-N 2 0 338.374 -0.042 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001166715179 832282513 /nfs/dbraw/zinc/28/25/13/832282513.db2.gz URNRMFZEQDVSHN-UONOGXRCSA-N 2 0 348.513 -0.391 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O ZINC001166714391 832283061 /nfs/dbraw/zinc/28/30/61/832283061.db2.gz KBLBRXGTNVABLX-OLZOCXBDSA-N 2 0 334.486 -0.829 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C)C(=O)NC(N)=O ZINC001166750277 832286757 /nfs/dbraw/zinc/28/67/57/832286757.db2.gz BKTLXTRIVFRPKF-LLVKDONJSA-N 2 0 329.445 -0.356 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC2(C[NH2+]CC(N)=O)CC2)C1 ZINC001166814979 832290186 /nfs/dbraw/zinc/29/01/86/832290186.db2.gz WRXDTMVSJRMWIP-CYBMUJFWSA-N 2 0 326.441 -0.543 20 0 EBADRP CC[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001166851841 832293672 /nfs/dbraw/zinc/29/36/72/832293672.db2.gz IFFUHIYUJLHWBV-YPMHNXCESA-N 2 0 341.456 -0.201 20 0 EBADRP CC[C@@H](C(=O)NCCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)[NH+](C)C ZINC001166865247 832294507 /nfs/dbraw/zinc/29/45/07/832294507.db2.gz DTVVPFILVDMGOS-KBPBESRZSA-N 2 0 348.513 -0.296 20 0 EBADRP CC[C@@H](C(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O)[NH+](C)C ZINC001166858309 832294605 /nfs/dbraw/zinc/29/46/05/832294605.db2.gz OXXATYYKXKRZQS-KBPBESRZSA-N 2 0 328.457 -0.594 20 0 EBADRP C[C@@H](COCC(=O)NCCC[NH2+]Cc1cnnn1C)[NH+]1CCCC1 ZINC001166931923 832299995 /nfs/dbraw/zinc/29/99/95/832299995.db2.gz ZPAXNVPAGGTYLX-AWEZNQCLSA-N 2 0 338.456 -0.088 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCCC2(C[NH2+]Cc3nnnn3C)CC2)C1 ZINC001167232603 832319209 /nfs/dbraw/zinc/31/92/09/832319209.db2.gz JMBSOTKIIHNIKL-ZDUSSCGKSA-N 2 0 335.456 -0.072 20 0 EBADRP Cn1ncnc1C[NH2+]CC1(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001167733305 832368172 /nfs/dbraw/zinc/36/81/72/832368172.db2.gz ZBAZFCBQIVRXRO-UHFFFAOYSA-N 2 0 338.456 -0.231 20 0 EBADRP Cn1[nH]c(C[NH2+]CCCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)nc1=O ZINC001168022412 832387549 /nfs/dbraw/zinc/38/75/49/832387549.db2.gz OTOSULULRQAKID-QWHCGFSZSA-N 2 0 336.440 -0.279 20 0 EBADRP Cn1[nH]c(C[NH2+]CCCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)nc1=O ZINC001168022406 832387802 /nfs/dbraw/zinc/38/78/02/832387802.db2.gz OTOSULULRQAKID-CHWSQXEVSA-N 2 0 336.440 -0.279 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168031101 832388208 /nfs/dbraw/zinc/38/82/08/832388208.db2.gz WYFNOPHHLALQTG-KBPBESRZSA-N 2 0 346.497 -0.352 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168029515 832388242 /nfs/dbraw/zinc/38/82/42/832388242.db2.gz HANGKRKYOLPTCN-CHWSQXEVSA-N 2 0 339.440 -0.445 20 0 EBADRP Cn1cnnc1C[NH2+]CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001168043907 832389396 /nfs/dbraw/zinc/38/93/96/832389396.db2.gz OAKUFYSBQDJSDP-UHFFFAOYSA-N 2 0 334.428 -0.517 20 0 EBADRP Cc1nnc(C[NH2+]CCCNC(=O)c2cnn(CC[NH+](C)C)c2)[nH]1 ZINC001168052513 832391248 /nfs/dbraw/zinc/39/12/48/832391248.db2.gz SEZFUFSBIZMNRT-UHFFFAOYSA-N 2 0 334.428 -0.219 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC1(C[NH2+][C@H](C)C(N)=O)CC1 ZINC001168153534 832400527 /nfs/dbraw/zinc/40/05/27/832400527.db2.gz LKWVDWYEXGCPJZ-ZIAGYGMSSA-N 2 0 340.468 -0.295 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001353182236 832413624 /nfs/dbraw/zinc/41/36/24/832413624.db2.gz CIUUMDBWSFERJG-ZIAGYGMSSA-N 2 0 337.468 -0.922 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001353297734 832420497 /nfs/dbraw/zinc/42/04/97/832420497.db2.gz FMVIEGOMKRFAPL-LLVKDONJSA-N 2 0 336.383 -0.958 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]CC(=O)NC(=O)NCC(C)C ZINC001168763468 832434843 /nfs/dbraw/zinc/43/48/43/832434843.db2.gz OBJXMZLVPAVOIW-UHFFFAOYSA-N 2 0 343.472 -0.094 20 0 EBADRP Cc1cn(CC(=O)NCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(=O)[nH]c1=O ZINC001169107130 832448865 /nfs/dbraw/zinc/44/88/65/832448865.db2.gz DPUJCUJDJWDYME-ZSOGYDGISA-N 2 0 349.435 -0.412 20 0 EBADRP CC1CC[NH+](CC(=O)NCCC[NH2+]CCNS(C)(=O)=O)CC1 ZINC001169127613 832450022 /nfs/dbraw/zinc/45/00/22/832450022.db2.gz RKBUHNVXHDEMRZ-UHFFFAOYSA-N 2 0 334.486 -0.637 20 0 EBADRP CN1CC[C@H]([NH2+]CCCNC(=O)COC2CC[NH+](C)CC2)C1=O ZINC001169530650 832466102 /nfs/dbraw/zinc/46/61/02/832466102.db2.gz GWVZQOWFIUUCAA-AWEZNQCLSA-N 2 0 326.441 -0.576 20 0 EBADRP CCCNC(=O)C[NH2+]CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001169532202 832467029 /nfs/dbraw/zinc/46/70/29/832467029.db2.gz ZHSMEUMLEJFXTL-UHFFFAOYSA-N 2 0 328.457 -0.281 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001170222507 832493190 /nfs/dbraw/zinc/49/31/90/832493190.db2.gz LKEZYNAISMPUNK-HOTGVXAUSA-N 2 0 345.484 -0.019 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001170233776 832493920 /nfs/dbraw/zinc/49/39/20/832493920.db2.gz QINDBTXKUQVFMT-ZDUSSCGKSA-N 2 0 343.472 -0.983 20 0 EBADRP COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cc(C)cnc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001170772686 832525086 /nfs/dbraw/zinc/52/50/86/832525086.db2.gz DIOVQHLAVHJMRK-RZFFKMDDSA-N 2 0 334.420 -0.142 20 0 EBADRP CS(=O)(=O)N1CCN(c2cccc(N[C@H]([NH3+])CCC[NH3+])n2)CC1 ZINC001170898774 832530527 /nfs/dbraw/zinc/53/05/27/832530527.db2.gz VSYFIFJSCNBQIM-LBPRGKRZSA-N 2 0 342.469 -0.401 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCCNC(=O)COCC[NH+](C)C)on1 ZINC001171197458 832549664 /nfs/dbraw/zinc/54/96/64/832549664.db2.gz FZYWXHRXJQWHFA-UHFFFAOYSA-N 2 0 341.412 -0.404 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCCNC(=O)COCC[NH+](C)C)no1 ZINC001171205099 832550569 /nfs/dbraw/zinc/55/05/69/832550569.db2.gz LUSODVDUGOGGAL-UHFFFAOYSA-N 2 0 341.412 -0.404 20 0 EBADRP CCn1c(C)nnc1C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171205599 832550612 /nfs/dbraw/zinc/55/06/12/832550612.db2.gz UNIDOQZSHSJRKG-UHFFFAOYSA-N 2 0 326.445 -0.219 20 0 EBADRP C[C@@H](C[NH2+]CCCNC(=O)COCC[NH+](C)C)CS(C)(=O)=O ZINC001171215866 832551396 /nfs/dbraw/zinc/55/13/96/832551396.db2.gz DVLWPUMLVSPUSO-ZDUSSCGKSA-N 2 0 337.486 -0.659 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171226385 832552531 /nfs/dbraw/zinc/55/25/31/832552531.db2.gz GFCZYANLMFNXIC-CQSZACIVSA-N 2 0 348.513 -0.294 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171226274 832552696 /nfs/dbraw/zinc/55/26/96/832552696.db2.gz FBPLYQKREDQFKG-OAHLLOKOSA-N 2 0 328.457 -0.423 20 0 EBADRP C[C@H](NC(=O)C[NH2+]CCCNC(=O)COCC[NH+](C)C)C1CC1 ZINC001171218741 832552706 /nfs/dbraw/zinc/55/27/06/832552706.db2.gz SKLPLHQRQXXZCI-ZDUSSCGKSA-N 2 0 328.457 -0.425 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171229663 832553708 /nfs/dbraw/zinc/55/37/08/832553708.db2.gz ZVXHDWHTPIGJLT-VXGBXAGGSA-N 2 0 327.429 -0.732 20 0 EBADRP C[C@@H](C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2)CS(C)(=O)=O ZINC001171303433 832555305 /nfs/dbraw/zinc/55/53/05/832555305.db2.gz KJMHMTLXXOSBHF-ZDUSSCGKSA-N 2 0 331.482 -0.141 20 0 EBADRP CC(C)(C)OC(=O)N1C[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CC1=O ZINC001171697612 832572416 /nfs/dbraw/zinc/57/24/16/832572416.db2.gz WFLJWEVDZAPMNX-SNVBAGLBSA-N 2 0 346.388 -0.340 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001171769601 832575680 /nfs/dbraw/zinc/57/56/80/832575680.db2.gz ACSGTJFFVXVEBJ-ZDUSSCGKSA-N 2 0 343.472 -0.983 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001171770381 832575703 /nfs/dbraw/zinc/57/57/03/832575703.db2.gz PHSQAJOJBBXUEL-GFCCVEGCSA-N 2 0 341.456 -0.199 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001171770692 832575786 /nfs/dbraw/zinc/57/57/86/832575786.db2.gz XSYNLSBFPVQVRF-JKSUJKDBSA-N 2 0 345.484 -0.019 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CC(=O)Nc2nncs2)C1 ZINC001176049854 832653928 /nfs/dbraw/zinc/65/39/28/832653928.db2.gz ZINPTDRMRBRIHX-JTQLQIEISA-N 2 0 326.426 -0.476 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)Nc1ncccn1 ZINC001176049159 832653956 /nfs/dbraw/zinc/65/39/56/832653956.db2.gz JJYQBEHBFIKIJK-CHWSQXEVSA-N 2 0 334.424 -0.149 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)Nc1ncccn1 ZINC001176049160 832654329 /nfs/dbraw/zinc/65/43/29/832654329.db2.gz JJYQBEHBFIKIJK-OLZOCXBDSA-N 2 0 334.424 -0.149 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176095449 832656720 /nfs/dbraw/zinc/65/67/20/832656720.db2.gz CDNYHGGLFIFUEC-GFCCVEGCSA-N 2 0 327.429 -0.588 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176095571 832657154 /nfs/dbraw/zinc/65/71/54/832657154.db2.gz FMZCMQFZNFEGPJ-OLZOCXBDSA-N 2 0 341.456 -0.343 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)C[NH+]1CCCC1)NC[C@H]1CCCO1 ZINC001176102823 832657399 /nfs/dbraw/zinc/65/73/99/832657399.db2.gz MLVKERUDBLGELA-CQSZACIVSA-N 2 0 326.441 -0.527 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)C[NH+]2CCCC2)C[C@@H](C)O1 ZINC001176117685 832658052 /nfs/dbraw/zinc/65/80/52/832658052.db2.gz DJBHDQSYMHBYLY-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)C[NH+]1CCCC1)C(=O)NC(=O)NC1CC1 ZINC001176117564 832658055 /nfs/dbraw/zinc/65/80/55/832658055.db2.gz BQFKZFDODYXFOF-LBPRGKRZSA-N 2 0 339.440 -0.445 20 0 EBADRP O=C(C[NH+]1CCCC1)NCCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001176110518 832658087 /nfs/dbraw/zinc/65/80/87/832658087.db2.gz UYSRQOWFCMJWEN-HNNXBMFYSA-N 2 0 343.468 -0.265 20 0 EBADRP C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)COCC[NH+](C)C ZINC001176156375 832660120 /nfs/dbraw/zinc/66/01/20/832660120.db2.gz IQZAHFHJZGIPJL-GFCCVEGCSA-N 2 0 345.444 -0.976 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001176169488 832660786 /nfs/dbraw/zinc/66/07/86/832660786.db2.gz LMGCEGVMZYNIDX-CQSZACIVSA-N 2 0 326.441 -0.717 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@@H](C)c1nncn1C ZINC001176162538 832661023 /nfs/dbraw/zinc/66/10/23/832661023.db2.gz XCKVHXONMOSCPH-KBPBESRZSA-N 2 0 338.456 -0.060 20 0 EBADRP C[C@@H](CCCC[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001176591103 832680180 /nfs/dbraw/zinc/68/01/80/832680180.db2.gz GZSWKZNHZJLXLV-STQMWFEESA-N 2 0 341.456 -0.070 20 0 EBADRP CNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176598770 832681730 /nfs/dbraw/zinc/68/17/30/832681730.db2.gz CTDJHCFMTRDOAP-CABCVRRESA-N 2 0 342.484 -0.035 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176986494 832725886 /nfs/dbraw/zinc/72/58/86/832725886.db2.gz PTJVSJAVWJNMLI-CQSZACIVSA-N 2 0 330.473 -0.036 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC(=O)NC ZINC001176986482 832726178 /nfs/dbraw/zinc/72/61/78/832726178.db2.gz PKGNDXFCSKWJCG-GFCCVEGCSA-N 2 0 327.429 -0.588 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]C[C@H](O)COCCOC ZINC001176992285 832727577 /nfs/dbraw/zinc/72/75/77/832727577.db2.gz LEEKDEVWOASNJD-JKSUJKDBSA-N 2 0 345.484 -0.019 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001176992784 832728471 /nfs/dbraw/zinc/72/84/71/832728471.db2.gz ZYUALKDEBPWLTF-QWHCGFSZSA-N 2 0 341.456 -0.199 20 0 EBADRP CNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001178536407 832879042 /nfs/dbraw/zinc/87/90/42/832879042.db2.gz VHHXJLDNXDVSHS-HUUCEWRRSA-N 2 0 340.468 -0.138 20 0 EBADRP CNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001178536408 832879352 /nfs/dbraw/zinc/87/93/52/832879352.db2.gz VHHXJLDNXDVSHS-LSDHHAIUSA-N 2 0 340.468 -0.138 20 0 EBADRP COCCOC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179439805 832979592 /nfs/dbraw/zinc/97/95/92/832979592.db2.gz ZDIWNTKDLNOCGO-XHSDSOJGSA-N 2 0 345.484 -0.069 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]2C)C1 ZINC001179539104 832986064 /nfs/dbraw/zinc/98/60/64/832986064.db2.gz OPQHYNLBKNEKNV-SRVKXCTJSA-N 2 0 325.413 -0.898 20 0 EBADRP Cc1nc(C)n(CC[NH2+][C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)n1 ZINC001187115968 833903011 /nfs/dbraw/zinc/90/30/11/833903011.db2.gz WZPPXMYDRFATKS-OAHLLOKOSA-N 2 0 338.456 -0.336 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001187121804 833903032 /nfs/dbraw/zinc/90/30/32/833903032.db2.gz MACHGRKDVXAHQP-ZIAGYGMSSA-N 2 0 347.481 -0.810 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1)C(=O)NC(N)=O ZINC001187135525 833904774 /nfs/dbraw/zinc/90/47/74/833904774.db2.gz SJBOFFRPSCOSTQ-WDEREUQCSA-N 2 0 348.407 -0.465 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001187231336 833912751 /nfs/dbraw/zinc/91/27/51/833912751.db2.gz KDZZHISWIDJUIW-CYBMUJFWSA-N 2 0 339.440 -0.539 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001187307168 833918356 /nfs/dbraw/zinc/91/83/56/833918356.db2.gz XKWKAERONYBFTN-QWHCGFSZSA-N 2 0 341.456 -0.247 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001187321963 833919878 /nfs/dbraw/zinc/91/98/78/833919878.db2.gz JVMPTYQLKQTNFO-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001187329758 833920747 /nfs/dbraw/zinc/92/07/47/833920747.db2.gz VCAOCYHYIKXUTR-VXGBXAGGSA-N 2 0 327.429 -0.637 20 0 EBADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189810787 834194005 /nfs/dbraw/zinc/19/40/05/834194005.db2.gz HEUNUAWRKASEKM-QLFBSQMISA-N 2 0 340.468 -0.426 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001190643762 834307757 /nfs/dbraw/zinc/30/77/57/834307757.db2.gz CPVAVRNYLKYMQQ-NWDGAFQWSA-N 2 0 339.440 -0.413 20 0 EBADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCO)C[C@H]1OC)[NH+](CC)CC ZINC001213434626 837773584 /nfs/dbraw/zinc/77/35/84/837773584.db2.gz JEBVBVUVPJWENR-OWCLPIDISA-N 2 0 345.484 -0.069 20 0 EBADRP COCC[N@@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213455949 837778549 /nfs/dbraw/zinc/77/85/49/837778549.db2.gz VUHDBNRERYEPOB-ARFHVFGLSA-N 2 0 343.468 -0.051 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192027909 834593983 /nfs/dbraw/zinc/59/39/83/834593983.db2.gz AUKYSMSZGDJQFU-RYUDHWBXSA-N 2 0 339.440 -0.556 20 0 EBADRP COCCOC[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192045289 834599457 /nfs/dbraw/zinc/59/94/57/834599457.db2.gz BRCSGUCNRHAADD-HOTGVXAUSA-N 2 0 345.484 -0.115 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@H]([N@H+](C)CCN2CCNC2=O)C1 ZINC001192048132 834600303 /nfs/dbraw/zinc/60/03/03/834600303.db2.gz WJBWNONLOOGPKF-AWEZNQCLSA-N 2 0 325.457 -0.114 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)NC(N)=O)C1 ZINC001192947474 834769365 /nfs/dbraw/zinc/76/93/65/834769365.db2.gz IVWFOWYXRHSVQK-NWDGAFQWSA-N 2 0 327.429 -0.556 20 0 EBADRP C[N@H+](C[C@H](O)Cn1cccn1)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193499518 834891656 /nfs/dbraw/zinc/89/16/56/834891656.db2.gz JHCCUUGHGDTVKQ-CVEARBPZSA-N 2 0 347.463 -0.128 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CCN2C(=O)CNC2=O)C1 ZINC001193643599 834921320 /nfs/dbraw/zinc/92/13/20/834921320.db2.gz XNDOBGQVOWCEIG-CYBMUJFWSA-N 2 0 339.440 -0.587 20 0 EBADRP CCOCC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213638468 837827265 /nfs/dbraw/zinc/82/72/65/837827265.db2.gz PUDHKMRETLCGKM-HZPDHXFCSA-N 2 0 343.468 -0.051 20 0 EBADRP COCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001193902639 834965465 /nfs/dbraw/zinc/96/54/65/834965465.db2.gz VVDLMBJWCXOBCZ-ARFHVFGLSA-N 2 0 343.468 -0.315 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CCN2C(=O)CNC2=O)C1 ZINC001194296292 835074591 /nfs/dbraw/zinc/07/45/91/835074591.db2.gz ZBVNCEIKCMLMCM-CYBMUJFWSA-N 2 0 339.440 -0.589 20 0 EBADRP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194832481 835154765 /nfs/dbraw/zinc/15/47/65/835154765.db2.gz PMVFIBCSPXDQON-QJNCVLDKSA-N 2 0 339.436 -0.953 20 0 EBADRP COCCOC[C@@H](O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001195267244 835207934 /nfs/dbraw/zinc/20/79/34/835207934.db2.gz HASUKTTYKHXECS-JKSUJKDBSA-N 2 0 343.468 -0.361 20 0 EBADRP CC(C)CNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708955 835275396 /nfs/dbraw/zinc/27/53/96/835275396.db2.gz UJCQBQOKLZCCJT-RBSFLKMASA-N 2 0 342.484 -0.350 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001195708178 835275592 /nfs/dbraw/zinc/27/55/92/835275592.db2.gz HEYUYJGRFBZCGR-HUUCEWRRSA-N 2 0 340.468 -0.498 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@H]2O)C1 ZINC001197792574 835608793 /nfs/dbraw/zinc/60/87/93/835608793.db2.gz MUIQFPRJEMLDGB-BZUAXINKSA-N 2 0 325.453 -0.084 20 0 EBADRP C[C@H](C(=O)N(C)C)N1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197831656 835613569 /nfs/dbraw/zinc/61/35/69/835613569.db2.gz AZVOISWDDXWYRH-CQSZACIVSA-N 2 0 328.457 -0.424 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O ZINC001198699485 835711030 /nfs/dbraw/zinc/71/10/30/835711030.db2.gz SVJWXMYZMVKMRM-NUEKZKHPSA-N 2 0 325.453 -0.084 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370237 835799824 /nfs/dbraw/zinc/79/98/24/835799824.db2.gz QJAPAUAJJYYRJS-ARFHVFGLSA-N 2 0 343.468 -0.579 20 0 EBADRP COCCCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001199788095 835861845 /nfs/dbraw/zinc/86/18/45/835861845.db2.gz LKJIMBKVVKPSHU-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200115514 835910983 /nfs/dbraw/zinc/91/09/83/835910983.db2.gz MZLMSQCHWCJFNU-ZIAGYGMSSA-N 2 0 326.441 -0.624 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001200479245 835973729 /nfs/dbraw/zinc/97/37/29/835973729.db2.gz OWJVKFVVEICXQV-KBPBESRZSA-N 2 0 326.441 -0.448 20 0 EBADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCO1 ZINC001200537883 835982513 /nfs/dbraw/zinc/98/25/13/835982513.db2.gz VCABIXBFMCVHRY-RBSFLKMASA-N 2 0 340.468 -0.330 20 0 EBADRP NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001200606460 835995382 /nfs/dbraw/zinc/99/53/82/835995382.db2.gz NXLFJGNOKPNQRD-CYBMUJFWSA-N 2 0 337.424 -0.896 20 0 EBADRP CNC(=O)C[NH2+]C1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001200628505 835997535 /nfs/dbraw/zinc/99/75/35/835997535.db2.gz LDVONMGQHJZRFP-UHFFFAOYSA-N 2 0 336.440 -0.615 20 0 EBADRP CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCCO1)C(N)=O ZINC001200687710 836015568 /nfs/dbraw/zinc/01/55/68/836015568.db2.gz GCPNHOSLHIVBJN-ZIAGYGMSSA-N 2 0 340.468 -0.058 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCCO1 ZINC001200687772 836015640 /nfs/dbraw/zinc/01/56/40/836015640.db2.gz HDQLMQGZABAWNI-ZDUSSCGKSA-N 2 0 326.441 -0.576 20 0 EBADRP CC[C@H](C(=O)N1CCCO[C@H](C[NH2+]C[C@H](O)COC)C1)[NH+](C)C ZINC001200795441 836034932 /nfs/dbraw/zinc/03/49/32/836034932.db2.gz KBLLNNBGAAPXBV-RRFJBIMHSA-N 2 0 331.457 -0.459 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCOCCO)C1 ZINC001200808118 836039077 /nfs/dbraw/zinc/03/90/77/836039077.db2.gz YSENPEKRSOGOQT-HOTGVXAUSA-N 2 0 343.468 -0.313 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC)C1 ZINC001200850170 836045969 /nfs/dbraw/zinc/04/59/69/836045969.db2.gz FDXBFAZZDATPCW-CYBMUJFWSA-N 2 0 328.457 -0.330 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CCCO1 ZINC001200975714 836076681 /nfs/dbraw/zinc/07/66/81/836076681.db2.gz JDOUINLEALAORF-OAHLLOKOSA-N 2 0 345.403 -0.099 20 0 EBADRP C[C@@H]([NH2+]C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1)C(=O)NC(N)=O ZINC001201043586 836084648 /nfs/dbraw/zinc/08/46/48/836084648.db2.gz DUGHEENXRBNBMX-LLVKDONJSA-N 2 0 339.440 -0.365 20 0 EBADRP NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCCO1 ZINC001201062117 836085917 /nfs/dbraw/zinc/08/59/17/836085917.db2.gz IDWMOHBYTJVVIB-GDBMZVCRSA-N 2 0 338.452 -0.447 20 0 EBADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001201053872 836086165 /nfs/dbraw/zinc/08/61/65/836086165.db2.gz ZVKJZEUIPMOVIX-MFKMUULPSA-N 2 0 339.440 -0.509 20 0 EBADRP C[C@H]([NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CCCO1)C(N)=O ZINC001201128217 836098500 /nfs/dbraw/zinc/09/85/00/836098500.db2.gz GCAGMJAJYDLXIM-KBPBESRZSA-N 2 0 340.468 -0.058 20 0 EBADRP CC[C@H](C(=O)N1CCC([NH2+]C[C@H](O)COCCOC)CC1)[NH+](C)C ZINC001201239319 836115693 /nfs/dbraw/zinc/11/56/93/836115693.db2.gz JALFGVUSDMGFPU-JKSUJKDBSA-N 2 0 345.484 -0.069 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1 ZINC001201262004 836119897 /nfs/dbraw/zinc/11/98/97/836119897.db2.gz RAGOVWSUTIRZCS-KBPBESRZSA-N 2 0 340.468 -0.330 20 0 EBADRP CC[C@H]([NH2+]C[C@H]1CN(C(=O)CCC[NH+](C)C)CCCO1)C(N)=O ZINC001201277804 836121800 /nfs/dbraw/zinc/12/18/00/836121800.db2.gz XWRPHKFPHPXFRF-KBPBESRZSA-N 2 0 328.457 -0.201 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001201276643 836121864 /nfs/dbraw/zinc/12/18/64/836121864.db2.gz ISGHLPKHFIOMQO-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1 ZINC001201308762 836127020 /nfs/dbraw/zinc/12/70/20/836127020.db2.gz CWBYCKMNURGHSS-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1 ZINC001201309964 836127109 /nfs/dbraw/zinc/12/71/09/836127109.db2.gz WHGOYNXTKOILTB-HNNXBMFYSA-N 2 0 340.468 -0.377 20 0 EBADRP COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1 ZINC001201309365 836127188 /nfs/dbraw/zinc/12/71/88/836127188.db2.gz PHUJTYMBYJAVMD-HOTGVXAUSA-N 2 0 343.468 -0.457 20 0 EBADRP CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCCO1)C(N)=O ZINC001201309905 836127198 /nfs/dbraw/zinc/12/71/98/836127198.db2.gz URRQHIGACGQZPW-HUUCEWRRSA-N 2 0 340.468 -0.201 20 0 EBADRP CC(C)[C@H](C(=O)N1CCCO[C@@H](C[NH2+]CCOCCO)C1)[NH+](C)C ZINC001201345212 836132224 /nfs/dbraw/zinc/13/22/24/836132224.db2.gz ZRZFFRUPWJWAIX-JKSUJKDBSA-N 2 0 345.484 -0.211 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCCO1 ZINC001201343525 836132404 /nfs/dbraw/zinc/13/24/04/836132404.db2.gz HUDUTJNEJOYDBE-OWCLPIDISA-N 2 0 345.484 -0.213 20 0 EBADRP CC[C@@H](C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC2CC2)C1)[NH+](C)C ZINC001201428894 836145329 /nfs/dbraw/zinc/14/53/29/836145329.db2.gz CBRKKFYIMFLTFI-CABCVRRESA-N 2 0 340.468 -0.188 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001201678861 836174398 /nfs/dbraw/zinc/17/43/98/836174398.db2.gz QSVYTVFWZUQWGU-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001201677466 836174985 /nfs/dbraw/zinc/17/49/85/836174985.db2.gz CEUWGSRVTOKUQW-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CC1CC[NH+](CC(=O)N2CCCO[C@@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001201712105 836182286 /nfs/dbraw/zinc/18/22/86/836182286.db2.gz LIKPSFHMSRJFPL-AWEZNQCLSA-N 2 0 326.441 -0.589 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CCCO[C@@H](C[NH2+]CCO)C2)CC1 ZINC001201727415 836184597 /nfs/dbraw/zinc/18/45/97/836184597.db2.gz XCGRAXXGYAGGKM-HNNXBMFYSA-N 2 0 329.441 -0.703 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCCO[C@@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001201808970 836196156 /nfs/dbraw/zinc/19/61/56/836196156.db2.gz IUGVAMJHNLSXOJ-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCCO[C@H](C[NH2+]C[C@@H](O)COC)C1 ZINC001201924182 836216957 /nfs/dbraw/zinc/21/69/57/836216957.db2.gz DRRVIMPEQHCGSB-HZPDHXFCSA-N 2 0 345.484 -0.067 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCCO[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001201924445 836216980 /nfs/dbraw/zinc/21/69/80/836216980.db2.gz LTKXMVKLIDCUSB-ZIAGYGMSSA-N 2 0 328.457 -0.201 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NCC)C1 ZINC001201932475 836218451 /nfs/dbraw/zinc/21/84/51/836218451.db2.gz ZAIFIUBPWVNJGM-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP CS(=O)(=O)CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202048833 836240836 /nfs/dbraw/zinc/24/08/36/836240836.db2.gz HPHRMLDMTDKYPZ-AWEZNQCLSA-N 2 0 347.481 -0.666 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202058608 836245342 /nfs/dbraw/zinc/24/53/42/836245342.db2.gz LNCBUVFHYCKAQD-KBPBESRZSA-N 2 0 326.441 -0.719 20 0 EBADRP NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCCO1 ZINC001202147541 836261849 /nfs/dbraw/zinc/26/18/49/836261849.db2.gz HNFNJLPOAPWGMJ-CQSZACIVSA-N 2 0 326.441 -0.445 20 0 EBADRP C[C@H]([NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCCO1)C(N)=O ZINC001202148646 836262674 /nfs/dbraw/zinc/26/26/74/836262674.db2.gz YPSYBZGDHPYECG-GJZGRUSLSA-N 2 0 340.468 -0.057 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCCO1 ZINC001202162827 836263989 /nfs/dbraw/zinc/26/39/89/836263989.db2.gz AEFOHPLXIBMARF-UONOGXRCSA-N 2 0 328.457 -0.332 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC([NH2+]CC(=O)NC[C@@H]2CCCO2)CC1 ZINC001202316383 836290371 /nfs/dbraw/zinc/29/03/71/836290371.db2.gz ZMWBAJWOAFEAFS-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]CCNS(C)(=O)=O)CC1 ZINC001202504947 836308565 /nfs/dbraw/zinc/30/85/65/836308565.db2.gz XGIMZYNBGFLSGC-GXTWGEPZSA-N 2 0 346.497 -0.686 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001202504583 836308853 /nfs/dbraw/zinc/30/88/53/836308853.db2.gz USDIAGWUWCDMEM-AAEUAGOBSA-N 2 0 339.440 -0.780 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC([NH2+][C@H](C)C(=O)NC(=O)NC)CC1 ZINC001203214054 836408129 /nfs/dbraw/zinc/40/81/29/836408129.db2.gz IHUZIAXFPZZSLI-GFCCVEGCSA-N 2 0 341.456 -0.247 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC([NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001203214943 836408322 /nfs/dbraw/zinc/40/83/22/836408322.db2.gz PHVGLKSBGYPXSR-LLVKDONJSA-N 2 0 327.429 -0.508 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001203337221 836422814 /nfs/dbraw/zinc/42/28/14/836422814.db2.gz FXZAUDPVABOTPR-LBPRGKRZSA-N 2 0 339.440 -0.636 20 0 EBADRP CCn1ncnc1C[NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001203349659 836425156 /nfs/dbraw/zinc/42/51/56/836425156.db2.gz UTJQLLATYHYTIU-UHFFFAOYSA-N 2 0 338.456 -0.043 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)C12CCC2 ZINC001203359157 836426083 /nfs/dbraw/zinc/42/60/83/836426083.db2.gz OOPNZDJAXDZEOI-QWHCGFSZSA-N 2 0 346.497 -0.496 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C12CCC2 ZINC001203359945 836426513 /nfs/dbraw/zinc/42/65/13/836426513.db2.gz VODGDDWYJCOLSI-NWDGAFQWSA-N 2 0 339.440 -0.589 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC([NH2+]CC(=O)NC(=O)NCC)CC1 ZINC001203454944 836433809 /nfs/dbraw/zinc/43/38/09/836433809.db2.gz BHLHWVYOOCODIY-UHFFFAOYSA-N 2 0 341.456 -0.246 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001203613875 836452894 /nfs/dbraw/zinc/45/28/94/836452894.db2.gz GIHYDBPHKCIZCF-VXGBXAGGSA-N 2 0 349.435 -0.706 20 0 EBADRP CCOCCNC(=O)C[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001203705263 836464514 /nfs/dbraw/zinc/46/45/14/836464514.db2.gz PYPHWRQNSOMCTP-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001203709451 836465062 /nfs/dbraw/zinc/46/50/62/836465062.db2.gz RQEOFTPDOYWMFK-KBPBESRZSA-N 2 0 340.468 -0.330 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001203925593 836488559 /nfs/dbraw/zinc/48/85/59/836488559.db2.gz STDWYTMZKPIIOB-UHFFFAOYSA-N 2 0 341.456 -0.247 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCS(C)(=O)=O)CC1 ZINC001204798964 836529786 /nfs/dbraw/zinc/52/97/86/836529786.db2.gz PRWJNTWNNUSBAA-CQSZACIVSA-N 2 0 331.482 -0.047 20 0 EBADRP CC[C@H](C(=O)N1CCC(C[NH2+]CCNS(C)(=O)=O)CC1)[NH+](C)C ZINC001205516174 836574264 /nfs/dbraw/zinc/57/42/64/836574264.db2.gz RNKZIYMNOCTEBG-CQSZACIVSA-N 2 0 348.513 -0.296 20 0 EBADRP CC[C@H](C(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1)[NH+](C)C ZINC001205515918 836574406 /nfs/dbraw/zinc/57/44/06/836574406.db2.gz FXBPTNUULDSUSZ-GFCCVEGCSA-N 2 0 327.429 -0.650 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001206145793 836626090 /nfs/dbraw/zinc/62/60/90/836626090.db2.gz FVOMXCOXZCCTQA-UHFFFAOYSA-N 2 0 341.456 -0.388 20 0 EBADRP Cn1ncnc1C[NH2+]CC1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001206873528 836686203 /nfs/dbraw/zinc/68/62/03/836686203.db2.gz APGFVNDTTBLFPF-UHFFFAOYSA-N 2 0 338.456 -0.279 20 0 EBADRP COC(C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1)OC ZINC001207249880 836767095 /nfs/dbraw/zinc/76/70/95/836767095.db2.gz PGXDKNZERBVBNW-ZIAGYGMSSA-N 2 0 329.441 -0.284 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001207685086 836844865 /nfs/dbraw/zinc/84/48/65/836844865.db2.gz WIDDELZOUHCYBR-OLZOCXBDSA-N 2 0 332.470 -0.790 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001208334512 836999218 /nfs/dbraw/zinc/99/92/18/836999218.db2.gz JFSRDDLUPWABJL-OCCSQVGLSA-N 2 0 339.440 -0.637 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1)C(=O)NC(N)=O ZINC001208340760 837001768 /nfs/dbraw/zinc/00/17/68/837001768.db2.gz PEYWEQLBTPQRJF-NWDGAFQWSA-N 2 0 339.440 -0.365 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001208414628 837027304 /nfs/dbraw/zinc/02/73/04/837027304.db2.gz UHHRUKYUILXCQZ-CHWSQXEVSA-N 2 0 334.486 -0.544 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001209407658 837164803 /nfs/dbraw/zinc/16/48/03/837164803.db2.gz AAFMPECMFIAVST-ZDUSSCGKSA-N 2 0 339.440 -0.636 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209420006 837165685 /nfs/dbraw/zinc/16/56/85/837165685.db2.gz QYKCWZVLDCSITQ-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001209446741 837167953 /nfs/dbraw/zinc/16/79/53/837167953.db2.gz UPTXUSVOXFXWBE-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001209633159 837183986 /nfs/dbraw/zinc/18/39/86/837183986.db2.gz SEJJAEISHWZVRJ-QWHCGFSZSA-N 2 0 339.440 -0.493 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001210494018 837290190 /nfs/dbraw/zinc/29/01/90/837290190.db2.gz RAFONSUBACYBNG-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001210676318 837318201 /nfs/dbraw/zinc/31/82/01/837318201.db2.gz DXRVPVZTAWPIFI-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001210684477 837320667 /nfs/dbraw/zinc/32/06/67/837320667.db2.gz HBJQYROVHFGFQH-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)nc1=O ZINC001210750289 837328422 /nfs/dbraw/zinc/32/84/22/837328422.db2.gz AWBQFNJDNHILNS-ZDUSSCGKSA-N 2 0 338.456 -0.079 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211064841 837378230 /nfs/dbraw/zinc/37/82/30/837378230.db2.gz RCNFLANTNPLYJA-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP COCCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211064428 837379357 /nfs/dbraw/zinc/37/93/57/837379357.db2.gz NKBJCPOTVNVRSA-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211082007 837380192 /nfs/dbraw/zinc/38/01/92/837380192.db2.gz OMRHSZOVSTZQRV-OAHLLOKOSA-N 2 0 340.468 -0.185 20 0 EBADRP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCN1CCCS1(=O)=O)[NH+](C)C ZINC001319534803 838144964 /nfs/dbraw/zinc/14/49/64/838144964.db2.gz UAKIOKNYPJFUMN-KBPBESRZSA-N 2 0 348.513 -0.201 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001319791634 838179102 /nfs/dbraw/zinc/17/91/02/838179102.db2.gz NKPWICURKPBLNV-CHWSQXEVSA-N 2 0 339.440 -0.506 20 0 EBADRP C[N@@H+]1CC[C@](O)(CNC2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC001320222953 838715160 /nfs/dbraw/zinc/71/51/60/838715160.db2.gz NKQUFFBGTNDZTI-KRWDZBQOSA-N 2 0 326.485 -0.561 20 0 EBADRP O=C(NCC[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001320242106 838724141 /nfs/dbraw/zinc/72/41/41/838724141.db2.gz KTAKJRZUULKYKZ-AWEZNQCLSA-N 2 0 338.452 -0.792 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001320448693 838771743 /nfs/dbraw/zinc/77/17/43/838771743.db2.gz XBNZUHVQYMYWDH-LLVKDONJSA-N 2 0 327.429 -0.589 20 0 EBADRP C[C@@H](CC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001320450671 838772742 /nfs/dbraw/zinc/77/27/42/838772742.db2.gz QLHCOAMSLVGCIZ-QWHCGFSZSA-N 2 0 338.456 -0.033 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001320999971 838880204 /nfs/dbraw/zinc/88/02/04/838880204.db2.gz XAVYMTSKEIQFGU-DFPOMNKCSA-N 2 0 325.413 -0.813 20 0 EBADRP O=C(NC/C=C\C[NH2+]CCN1CCNC1=O)C12CCC[NH+]1CCC2 ZINC001321141753 838921570 /nfs/dbraw/zinc/92/15/70/838921570.db2.gz OSELZGVCOPRXDH-UPHRSURJSA-N 2 0 335.452 -0.098 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001321896101 839097450 /nfs/dbraw/zinc/09/74/50/839097450.db2.gz JOVSIHPQMUIYID-QWHCGFSZSA-N 2 0 334.486 -0.496 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CCC[NH2+]CC(=O)N1CCC1 ZINC001322838006 839281359 /nfs/dbraw/zinc/28/13/59/839281359.db2.gz XDBBWMIZMPQIRA-OAHLLOKOSA-N 2 0 340.468 -0.375 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCN1C(=O)CCC1=O)C1CC1 ZINC001322972017 839311770 /nfs/dbraw/zinc/31/17/70/839311770.db2.gz ZZIMLPIONYDNQM-KBPBESRZSA-N 2 0 336.436 -0.286 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CCNS(C)(=O)=O)C1CC1 ZINC001323046638 839334048 /nfs/dbraw/zinc/33/40/48/839334048.db2.gz HGUIPTOAJDLPCK-KGLIPLIRSA-N 2 0 346.497 -0.496 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[NH+]2CCC[C@H]2C1 ZINC001323075810 839342368 /nfs/dbraw/zinc/34/23/68/839342368.db2.gz YJDSDHGZDAYGNC-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)CCN1C(=O)C[NH+]1CCCC1 ZINC001324098648 839591928 /nfs/dbraw/zinc/59/19/28/839591928.db2.gz SJWGNCKBHCFOMP-UONOGXRCSA-N 2 0 346.497 -0.400 20 0 EBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC001325422176 839863656 /nfs/dbraw/zinc/86/36/56/839863656.db2.gz GXPDFAUNHONVJP-HUUCEWRRSA-N 2 0 339.484 -0.613 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1C(=O)CNC1=O ZINC001325454684 839868741 /nfs/dbraw/zinc/86/87/41/839868741.db2.gz ZZZQPTSQTHJBJT-CYBMUJFWSA-N 2 0 339.440 -0.587 20 0 EBADRP C[C@@H]1C[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC001325646091 839905591 /nfs/dbraw/zinc/90/55/91/839905591.db2.gz HZBXQHHZVOGDQO-HUUCEWRRSA-N 2 0 342.484 -0.131 20 0 EBADRP CCN(C)C(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001326045079 840014211 /nfs/dbraw/zinc/01/42/11/840014211.db2.gz LRAGRASJBBWWTM-CQSZACIVSA-N 2 0 328.457 -0.641 20 0 EBADRP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]CCNS(C)(=O)=O ZINC001326735976 840188900 /nfs/dbraw/zinc/18/89/00/840188900.db2.gz BDWBWABHRQDEQB-CYBMUJFWSA-N 2 0 334.486 -0.542 20 0 EBADRP CCOC1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC001326753401 840192956 /nfs/dbraw/zinc/19/29/56/840192956.db2.gz ZXACPAKPYKNHCZ-UHFFFAOYSA-N 2 0 342.484 -0.034 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001326990673 840263660 /nfs/dbraw/zinc/26/36/60/840263660.db2.gz NMXUIFZPTQDFIB-GJZGRUSLSA-N 2 0 336.440 -0.421 20 0 EBADRP CO[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@H]1C ZINC001326993382 840264137 /nfs/dbraw/zinc/26/41/37/840264137.db2.gz DZPBCAMQOCDWEW-GJZGRUSLSA-N 2 0 342.484 -0.178 20 0 EBADRP C[C@H]([NH3+])CNC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001327486042 840433354 /nfs/dbraw/zinc/43/33/54/840433354.db2.gz OIRTZJAAPVAILX-LBPRGKRZSA-N 2 0 326.441 -0.543 20 0 EBADRP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC001327498113 840436853 /nfs/dbraw/zinc/43/68/53/840436853.db2.gz JJYXBXFRIRRRCH-ZFWWWQNUSA-N 2 0 338.452 -0.447 20 0 EBADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC001327515242 840442026 /nfs/dbraw/zinc/44/20/26/840442026.db2.gz LCTBNQTYNHOSPT-DZGCQCFKSA-N 2 0 338.452 -0.386 20 0 EBADRP COCCCC[NH2+]CC1(NC(=O)[C@H]2CN(C)CCO2)CCOCC1 ZINC001327627710 840478496 /nfs/dbraw/zinc/47/84/96/840478496.db2.gz MZNWSZXEIJMCGX-OAHLLOKOSA-N 2 0 343.468 -0.001 20 0 EBADRP COCC1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC001328384907 840668877 /nfs/dbraw/zinc/66/88/77/840668877.db2.gz KFTVXHIUSUOPIE-UHFFFAOYSA-N 2 0 342.484 -0.177 20 0 EBADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001328745284 840739875 /nfs/dbraw/zinc/73/98/75/840739875.db2.gz DLOPPJGYCIUGCQ-YJNKXOJESA-N 2 0 338.452 -0.401 20 0 EBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001328980118 840805201 /nfs/dbraw/zinc/80/52/01/840805201.db2.gz GJXLSCJGWRVLHN-CYBMUJFWSA-N 2 0 339.484 -0.533 20 0 EBADRP CN(OCC(F)(F)F)C(=O)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001329573573 840955713 /nfs/dbraw/zinc/95/57/13/840955713.db2.gz KGJTYXMUNLGFLP-NSHDSACASA-N 2 0 342.362 -0.863 20 0 EBADRP CCOC[C@H](C)NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001330288503 841156186 /nfs/dbraw/zinc/15/61/86/841156186.db2.gz KOKVXUYOVVONCD-RRFJBIMHSA-N 2 0 342.484 -0.275 20 0 EBADRP COCC[NH2+]CCNC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC001330593394 841241958 /nfs/dbraw/zinc/24/19/58/841241958.db2.gz ONGPXZBFGGZXFG-VIFPVBQESA-N 2 0 332.355 -0.284 20 0 EBADRP C[C@H](CCC[NH2+][C@H](C)C(=O)NC(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001330977738 841304730 /nfs/dbraw/zinc/30/47/30/841304730.db2.gz UEYFZAHWPDAGFF-VXGBXAGGSA-N 2 0 327.429 -0.460 20 0 EBADRP C[C@@H](CCC[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001330977737 841305685 /nfs/dbraw/zinc/30/56/85/841305685.db2.gz UEYFZAHWPDAGFF-RYUDHWBXSA-N 2 0 327.429 -0.460 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[NH2+]CCC12CCC2 ZINC001331145215 841355068 /nfs/dbraw/zinc/35/50/68/841355068.db2.gz LRQBVKGYCQOPCW-CQSZACIVSA-N 2 0 337.468 -0.907 20 0 EBADRP CN1CC[NH+](C2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)CC1 ZINC001331193653 841367404 /nfs/dbraw/zinc/36/74/04/841367404.db2.gz XAPWLGOBWPJRTI-OAHLLOKOSA-N 2 0 337.468 -0.922 20 0 EBADRP CC[NH2+]CCNC(=O)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001331497492 841416965 /nfs/dbraw/zinc/41/69/65/841416965.db2.gz PVOAXWIFVKEJOO-UHFFFAOYSA-N 2 0 347.463 -0.220 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CCCO1 ZINC001332232564 841596212 /nfs/dbraw/zinc/59/62/12/841596212.db2.gz OBZSAZLBYDJTII-RBSFLKMASA-N 2 0 340.468 -0.010 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC001332251132 841599260 /nfs/dbraw/zinc/59/92/60/841599260.db2.gz PXBDPFQHQUXCIH-KGLIPLIRSA-N 2 0 339.484 -0.757 20 0 EBADRP CC[NH+](CC)C1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC001332433319 841641483 /nfs/dbraw/zinc/64/14/83/841641483.db2.gz FSHHJNRCRMJLIB-KRWDZBQOSA-N 2 0 340.468 -0.369 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCn1cncn1 ZINC001332502323 841654932 /nfs/dbraw/zinc/65/49/32/841654932.db2.gz BLBKOJAYYGYPRD-HUUCEWRRSA-N 2 0 338.456 -0.440 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CCNC(=O)C1CC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001332531219 841663356 /nfs/dbraw/zinc/66/33/56/841663356.db2.gz ZVFHOIIHHHKNRM-LSDHHAIUSA-N 2 0 340.468 -0.594 20 0 EBADRP CN(C[C@H](O)C[NH2+]CCCS(C)(=O)=O)C(=O)C1CC[NH+](C)CC1 ZINC001332566682 841673744 /nfs/dbraw/zinc/67/37/44/841673744.db2.gz PYBUXJMWPRYCKD-CQSZACIVSA-N 2 0 349.497 -0.828 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001333403192 841867419 /nfs/dbraw/zinc/86/74/19/841867419.db2.gz BFNGQDCKJXRZMP-UKRRQHHQSA-N 2 0 340.468 -0.010 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCCO1 ZINC001333898272 841963462 /nfs/dbraw/zinc/96/34/62/841963462.db2.gz MKSZESWQXIRHIZ-IHRRRGAJSA-N 2 0 326.441 -0.543 20 0 EBADRP CCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001335203522 842224848 /nfs/dbraw/zinc/22/48/48/842224848.db2.gz BZALLAZOBFHRKE-KGLIPLIRSA-N 2 0 326.441 -0.840 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001335301535 842255425 /nfs/dbraw/zinc/25/54/25/842255425.db2.gz INOOZELOIZBPNJ-KGLIPLIRSA-N 2 0 326.441 -0.767 20 0 EBADRP C[NH+]1CCC[C@H]1C(=O)NCCOCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001335316125 842258923 /nfs/dbraw/zinc/25/89/23/842258923.db2.gz LFMVJVLYUYFBIV-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP O=C(NCCCN1CC[NH2+]CC1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001335538386 842302117 /nfs/dbraw/zinc/30/21/17/842302117.db2.gz SVJJRMKNTJOQOK-CVEARBPZSA-N 2 0 339.484 -0.478 20 0 EBADRP O=C(NCCCCCN1CC[NH2+]CC1)NCCCN1CC[NH2+]CC1 ZINC001335585490 842310192 /nfs/dbraw/zinc/31/01/92/842310192.db2.gz YPHSKFHGNNPFQU-UHFFFAOYSA-N 2 0 340.516 -0.344 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)NCCCCCN2CC[NH2+]CC2)CCCO1 ZINC001335647393 842325256 /nfs/dbraw/zinc/32/52/56/842325256.db2.gz XNIULANGPRFNPU-HNNXBMFYSA-N 2 0 327.473 -0.179 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H]1[NH3+] ZINC001335758382 842350975 /nfs/dbraw/zinc/35/09/75/842350975.db2.gz JWGCFQLWQFKDSH-VNHYZAJKSA-N 2 0 338.452 -0.591 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001336016806 842383751 /nfs/dbraw/zinc/38/37/51/842383751.db2.gz HLCSBVMPUVGXIP-INIZCTEOSA-N 2 0 340.516 -0.393 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC001336558592 842492497 /nfs/dbraw/zinc/49/24/97/842492497.db2.gz YLVICTUBOPUFBV-CHWSQXEVSA-N 2 0 326.441 -0.733 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCCN3CCSC[C@@H]23)CC1 ZINC001336846476 842551802 /nfs/dbraw/zinc/55/18/02/842551802.db2.gz BLOPCZGLRLRBPG-OAGGEKHMSA-N 2 0 328.526 -0.236 20 0 EBADRP O=C(N[C@H]1C[NH+]2CCC1CC2)[C@H](F)C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC001337410837 842610663 /nfs/dbraw/zinc/61/06/63/842610663.db2.gz SZZBJWIIDUFZGU-QDMKHBRRSA-N 2 0 338.427 -0.255 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC001337455951 842616352 /nfs/dbraw/zinc/61/63/52/842616352.db2.gz QSNNXLGCNQATRF-VXGBXAGGSA-N 2 0 348.394 -0.816 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCC(=O)NCc2cccnc2)CC1 ZINC001338461264 842806237 /nfs/dbraw/zinc/80/62/37/842806237.db2.gz NYRFJBQWFQAJCD-MRXNPFEDSA-N 2 0 335.452 -0.714 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C)n1 ZINC001338891188 842873973 /nfs/dbraw/zinc/87/39/73/842873973.db2.gz ZTIQSZNYGKJDLX-CYBMUJFWSA-N 2 0 336.440 -0.016 20 0 EBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC001340080474 842969095 /nfs/dbraw/zinc/96/90/95/842969095.db2.gz UVEAEGRBKFBNJB-CQSZACIVSA-N 2 0 340.468 -0.511 20 0 EBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001340725982 843026119 /nfs/dbraw/zinc/02/61/19/843026119.db2.gz XCROEHQPETXGBI-AWEZNQCLSA-N 2 0 327.473 -0.817 20 0 EBADRP CC(C)C[C@H]1CN(C)CCN1C(=O)C(=O)NCCOCC[NH+](C)C ZINC001341345419 843078570 /nfs/dbraw/zinc/07/85/70/843078570.db2.gz MVWKZMGRECICRZ-HNNXBMFYSA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001341664876 843104190 /nfs/dbraw/zinc/10/41/90/843104190.db2.gz GQXSIXNNIHHMKD-JHJVBQTASA-N 2 0 349.401 -0.673 20 0 EBADRP Cc1ocnc1CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001342135534 843142201 /nfs/dbraw/zinc/14/22/01/843142201.db2.gz QBRUDWSHHYTIGY-ZDUSSCGKSA-N 2 0 349.435 -0.116 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001343454707 843237737 /nfs/dbraw/zinc/23/77/37/843237737.db2.gz WSXATSSBIQYFEV-OAHLLOKOSA-N 2 0 339.484 -0.673 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001346104860 843477943 /nfs/dbraw/zinc/47/79/43/843477943.db2.gz KVHGRFRHCHZWEC-HNNXBMFYSA-N 2 0 327.473 -0.770 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)N[C@H](C)[C@@H]1C[NH+](C)CCN1C ZINC001346229286 843490055 /nfs/dbraw/zinc/49/00/55/843490055.db2.gz PGIYMBUJHBLZBH-CABCVRRESA-N 2 0 329.489 -0.112 20 0 EBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C1 ZINC001347150264 843595210 /nfs/dbraw/zinc/59/52/10/843595210.db2.gz VPRBOKOGSGKFHB-STQMWFEESA-N 2 0 348.451 -0.196 20 0 EBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001347190245 843598866 /nfs/dbraw/zinc/59/88/66/843598866.db2.gz NPQUNRSXQKXNKJ-NVXWUHKLSA-N 2 0 335.496 -0.387 20 0 EBADRP C[C@@H]1C[NH+](CCO)CCN1C/C=C\CN1CC[N@@H+](CCO)C[C@H]1C ZINC001347194021 843599764 /nfs/dbraw/zinc/59/97/64/843599764.db2.gz NWSJSXSFBNDJJQ-GRFNRIFCSA-N 2 0 340.512 -0.461 20 0 EBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC001347670972 843637316 /nfs/dbraw/zinc/63/73/16/843637316.db2.gz KWEDPVPEFDOCDZ-IKGGRYGDSA-N 2 0 335.496 -0.387 20 0 EBADRP [NH3+]CC1(NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CCOCC1 ZINC001348296182 843679608 /nfs/dbraw/zinc/67/96/08/843679608.db2.gz DFAFFJRKWMSXME-UHFFFAOYSA-N 2 0 344.375 -0.170 20 0 EBADRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC001348843525 843756921 /nfs/dbraw/zinc/75/69/21/843756921.db2.gz QEDFMPUVXVPJFU-RDJZCZTQSA-N 2 0 337.512 -0.236 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001350030223 843959542 /nfs/dbraw/zinc/95/95/42/843959542.db2.gz XRHTWXFAQUAWCZ-BETUJISGSA-N 2 0 326.441 -0.543 20 0 EBADRP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576206586 950577487 /nfs/dbraw/zinc/57/74/87/950577487.db2.gz XZIYRGAYMNXZDN-NWDGAFQWSA-N 2 0 344.423 -0.058 20 0 EBADRP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)CC[NH+](C)C ZINC001575145859 952190111 /nfs/dbraw/zinc/19/01/11/952190111.db2.gz DYFXXKNJYCBKRB-NSHDSACASA-N 2 0 332.412 -0.106 20 0 EBADRP O=C(N[C@@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001020987057 1125799224 /nfs/dbraw/zinc/79/92/24/1125799224.db2.gz YFJZUUXDODDKEX-ZQIUZPCESA-N 2 0 335.452 -0.266 20 0 EBADRP C[NH+](C)CC1(C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001691162024 1125839272 /nfs/dbraw/zinc/83/92/72/1125839272.db2.gz SJCLVGOBFJNGQP-AVGNSLFASA-N 2 0 336.436 -0.382 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](CCNS(C)(=O)=O)C1 ZINC001481127370 1125928056 /nfs/dbraw/zinc/92/80/56/1125928056.db2.gz UKISWINMZQEIOI-ZDUSSCGKSA-N 2 0 334.486 -0.686 20 0 EBADRP CN(CC[NH2+]CCN1C(=O)NC(C)(C)C1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001481215936 1125945561 /nfs/dbraw/zinc/94/55/61/1125945561.db2.gz PPPPHZXSCUCETN-LBPRGKRZSA-N 2 0 339.440 -0.541 20 0 EBADRP CN(CC[NH2+]CCN(C)S(C)(=O)=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001481230789 1125948420 /nfs/dbraw/zinc/94/84/20/1125948420.db2.gz DWFCZTRMJVMZBJ-CQSZACIVSA-N 2 0 346.497 -0.732 20 0 EBADRP CN(CC[NH2+]CC(=O)N1CCC1)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001481246000 1125951737 /nfs/dbraw/zinc/95/17/37/1125951737.db2.gz MEKUEKNFCRNNJX-UHFFFAOYSA-N 2 0 340.468 -0.375 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001481269205 1125958568 /nfs/dbraw/zinc/95/85/68/1125958568.db2.gz CQBRHLIOWMRKRD-KGLIPLIRSA-N 2 0 338.452 -0.038 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)CC[NH+](C)C)C[C@H](C)O1 ZINC001481276479 1125962388 /nfs/dbraw/zinc/96/23/88/1125962388.db2.gz BYQJZCNGGDYRAF-OKILXGFUSA-N 2 0 328.457 -0.378 20 0 EBADRP CN(CC[NH2+]CC(=O)NC[C@@H]1CCCO1)C(=O)C1CC[NH+](C)CC1 ZINC001481277444 1125962644 /nfs/dbraw/zinc/96/26/44/1125962644.db2.gz OYWKBGIHISVBFO-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001481280025 1125962989 /nfs/dbraw/zinc/96/29/89/1125962989.db2.gz NEVRWKORBXZZTP-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CC1(C(=O)N2C[C@@H]3C[C@H]2CN3CCN2C(=O)CNC2=O)CC1 ZINC001481677925 1126037591 /nfs/dbraw/zinc/03/75/91/1126037591.db2.gz NGLCJZWNYFDVFG-STQMWFEESA-N 2 0 349.435 -0.835 20 0 EBADRP CC[C@@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)[NH2+][C@@H](C)C(N)=O ZINC001481824525 1126059080 /nfs/dbraw/zinc/05/90/80/1126059080.db2.gz UWZRPAVJWNYDRI-STQMWFEESA-N 2 0 328.457 -0.297 20 0 EBADRP CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(=O)NC(=O)NC ZINC001481846297 1126061389 /nfs/dbraw/zinc/06/13/89/1126061389.db2.gz XLSJTMSHSUNSAQ-NSHDSACASA-N 2 0 327.429 -0.732 20 0 EBADRP C[C@@H]([NH2+]CC1(NC(=O)CCC[NH+](C)C)CCCC1)C(=O)NC(N)=O ZINC001481903663 1126065694 /nfs/dbraw/zinc/06/56/94/1126065694.db2.gz BVDVVWRTGXOMDJ-GFCCVEGCSA-N 2 0 341.456 -0.070 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@](C)(C[NH2+][C@@H](C)C(=O)NC(N)=O)C1CC1 ZINC001481949819 1126069187 /nfs/dbraw/zinc/06/91/87/1126069187.db2.gz AXPONKCBMDAXLD-MEDUHNTESA-N 2 0 341.456 -0.216 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001482027583 1126072288 /nfs/dbraw/zinc/07/22/88/1126072288.db2.gz IQFVUQLMHJAXOS-JOCQHMNTSA-N 2 0 338.456 -0.034 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001482168433 1126090156 /nfs/dbraw/zinc/09/01/56/1126090156.db2.gz NIPKWTDKYPDABD-NEPJUHHUSA-N 2 0 327.429 -0.732 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001482168437 1126090228 /nfs/dbraw/zinc/09/02/28/1126090228.db2.gz NIPKWTDKYPDABD-RYUDHWBXSA-N 2 0 327.429 -0.732 20 0 EBADRP CN(CC[NH2+]CC(=O)NC(=O)NC(C)(C)C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001493498955 1126090329 /nfs/dbraw/zinc/09/03/29/1126090329.db2.gz FCAZMDCAVOWBFI-GFCCVEGCSA-N 2 0 341.456 -0.247 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)N1CCOCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482364341 1126138872 /nfs/dbraw/zinc/13/88/72/1126138872.db2.gz HNMAWXDHJBTPDN-KBPBESRZSA-N 2 0 326.441 -0.767 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC[C@H]1CCCO1)N(C)C(=O)C[NH+]1CCCC1 ZINC001482365989 1126139431 /nfs/dbraw/zinc/13/94/31/1126139431.db2.gz ZTAXNTRZOKOFGM-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)C[C@@H](CNCc1cn(C)nn1)NC(=O)[C@H]1CN(C)CCO1 ZINC001482378605 1126142021 /nfs/dbraw/zinc/14/20/21/1126142021.db2.gz IITQODRKNOGCTR-DZGCQCFKSA-N 2 0 338.456 -0.234 20 0 EBADRP CC(C)C[C@H](C[NH2+][C@H](C)C(=O)NC(N)=O)NC(=O)C[NH+]1CCCC1 ZINC001482397724 1126144341 /nfs/dbraw/zinc/14/43/41/1126144341.db2.gz CVMIPTHZRRMSPB-CHWSQXEVSA-N 2 0 341.456 -0.214 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001409053451 1126166387 /nfs/dbraw/zinc/16/63/87/1126166387.db2.gz LYHOVSDPHOHNNN-GXTWGEPZSA-N 2 0 328.432 -0.055 20 0 EBADRP C[N@H+](CC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCCCC1)C1CCC1 ZINC001482737299 1126271794 /nfs/dbraw/zinc/27/17/94/1126271794.db2.gz JOTIYIQQSUICHR-OAHLLOKOSA-N 2 0 340.468 -0.450 20 0 EBADRP C[NH+](C)CC1(C(=O)NC[C@H](O)C[NH2+]C[C@H]2CCNC(=O)CC2)CC1 ZINC001482763697 1126281087 /nfs/dbraw/zinc/28/10/87/1126281087.db2.gz ZPBAPFBFWWQSQY-ZIAGYGMSSA-N 2 0 340.468 -0.689 20 0 EBADRP C[C@@H]1CCCCN1C(=O)C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C ZINC001482764403 1126281460 /nfs/dbraw/zinc/28/14/60/1126281460.db2.gz PVXGSDKBBAWHJL-KGLIPLIRSA-N 2 0 328.457 -0.594 20 0 EBADRP Cc1nc(C)n(CC[NH2+]C[C@H](O)CNC(=O)C2CC[NH+](C)CC2)n1 ZINC001482765166 1126281634 /nfs/dbraw/zinc/28/16/34/1126281634.db2.gz GQABSFNWSYLKQY-HNNXBMFYSA-N 2 0 338.456 -0.697 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001482775116 1126285080 /nfs/dbraw/zinc/28/50/80/1126285080.db2.gz OGMOOCYXMKEDCI-GJZGRUSLSA-N 2 0 340.468 -0.452 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001358623731 1131234672 /nfs/dbraw/zinc/23/46/72/1131234672.db2.gz KOBFGJPVVQKNLR-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP CC(C)(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)CC[NH+]1CCCCC1 ZINC001482800359 1126295128 /nfs/dbraw/zinc/29/51/28/1126295128.db2.gz VWXYUTVMAHAENH-AWEZNQCLSA-N 2 0 342.484 -0.156 20 0 EBADRP CCN(CC[NH2+]CC(=O)NC(N)=O)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001482969392 1126307891 /nfs/dbraw/zinc/30/78/91/1126307891.db2.gz FYEIFJWDBYXHCG-RYUDHWBXSA-N 2 0 327.429 -0.508 20 0 EBADRP CC(C)(C(=O)NC/C=C\C[NH2+][C@@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001483043980 1126318398 /nfs/dbraw/zinc/31/83/98/1126318398.db2.gz YSIZOKGTKUCUFS-DHCBQETCSA-N 2 0 336.436 -0.072 20 0 EBADRP C[C@@H]([NH2+]C/C=C/CNC(=O)C(C)(C)C[NH+]1CCOCC1)C(N)=O ZINC001483024709 1126314747 /nfs/dbraw/zinc/31/47/47/1126314747.db2.gz XJVVFUOJLDBQIR-MUBLQREKSA-N 2 0 326.441 -0.519 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001691555823 1126321477 /nfs/dbraw/zinc/32/14/77/1126321477.db2.gz KUSIRZNBCGRSQG-STQMWFEESA-N 2 0 341.456 -0.390 20 0 EBADRP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCN1CCNC1=O ZINC001483126929 1126336284 /nfs/dbraw/zinc/33/62/84/1126336284.db2.gz AOURYRREIZNQTM-KGLIPLIRSA-N 2 0 325.457 -0.021 20 0 EBADRP O=C(NC/C=C/C[NH2+]C[C@H](O)Cn1cccn1)C12CC[NH+](CC1)C2 ZINC001483083540 1126330406 /nfs/dbraw/zinc/33/04/06/1126330406.db2.gz LOXWQOQNSJCEPB-YLSAJCSVSA-N 2 0 333.436 -0.398 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC(=O)NC(C)(C)C)NC(=O)CC[NH+](C)C ZINC001483162784 1126349058 /nfs/dbraw/zinc/34/90/58/1126349058.db2.gz NHXZWAZVFGXQDO-LLVKDONJSA-N 2 0 329.445 -0.343 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001483167273 1126349258 /nfs/dbraw/zinc/34/92/58/1126349258.db2.gz XYBQLAZDXKBHCZ-QWHCGFSZSA-N 2 0 341.456 -0.342 20 0 EBADRP CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N1CCO[C@@H](C)C1)[NH+](C)C ZINC001483167250 1126349443 /nfs/dbraw/zinc/34/94/43/1126349443.db2.gz GKIRGWMBWXGSFW-RDBSUJKOSA-N 2 0 328.457 -0.332 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001483179123 1126350789 /nfs/dbraw/zinc/35/07/89/1126350789.db2.gz QJTDDYLATOZHRP-CHWSQXEVSA-N 2 0 341.456 -0.343 20 0 EBADRP O=C(N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)C12CC[NH+](CC1)C2 ZINC001649008848 1126404111 /nfs/dbraw/zinc/40/41/11/1126404111.db2.gz YVMYIFUTHFCHNY-LSDHHAIUSA-N 2 0 347.463 -0.171 20 0 EBADRP C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001483239992 1126409243 /nfs/dbraw/zinc/40/92/43/1126409243.db2.gz LJVWDWNVROTFBG-QWHCGFSZSA-N 2 0 326.441 -0.672 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483260078 1126411282 /nfs/dbraw/zinc/41/12/82/1126411282.db2.gz YVRQJHJQPZKICH-RVMXOQNASA-N 2 0 341.456 -0.345 20 0 EBADRP C[C@@H](C[NH2+]CCN1C(=O)NC(C)(C)C1=O)NC(=O)CC[NH+](C)C ZINC001483263379 1126411503 /nfs/dbraw/zinc/41/15/03/1126411503.db2.gz IDLAQQGODBKJHR-NSHDSACASA-N 2 0 327.429 -0.637 20 0 EBADRP C[C@@H]([NH2+]CCCN(C)C(=O)C[NH+]1CCC(C)CC1)C(=O)NC(N)=O ZINC001483498971 1126431239 /nfs/dbraw/zinc/43/12/39/1126431239.db2.gz BIFPHCZVWONKNW-CYBMUJFWSA-N 2 0 341.456 -0.260 20 0 EBADRP C[C@@H](CN(C)CCN1CCCS1(=O)=O)NC(=O)C[NH+]1CCCC1 ZINC001483420039 1126426188 /nfs/dbraw/zinc/42/61/88/1126426188.db2.gz LDWQRWGHKSPLHU-AWEZNQCLSA-N 2 0 346.497 -0.446 20 0 EBADRP CN(CCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001483508860 1126432200 /nfs/dbraw/zinc/43/22/00/1126432200.db2.gz COYZIJNVYSWGPT-KBPBESRZSA-N 2 0 331.482 -0.189 20 0 EBADRP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CC(=O)NC(=O)NC ZINC001483620480 1126440848 /nfs/dbraw/zinc/44/08/48/1126440848.db2.gz JRXHOEBHIITXLQ-QWHCGFSZSA-N 2 0 341.456 -0.390 20 0 EBADRP C[NH+]1CCC(CC(=O)N[C@@H](C[NH2+]CC(=O)NC(N)=O)C2CC2)CC1 ZINC001483591153 1126437746 /nfs/dbraw/zinc/43/77/46/1126437746.db2.gz ACBFYUQIECYAHN-ZDUSSCGKSA-N 2 0 339.440 -0.602 20 0 EBADRP CN1CC[NH2+]C[C@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001649027262 1126471062 /nfs/dbraw/zinc/47/10/62/1126471062.db2.gz MFKATDSQNCOXMH-SJORKVTESA-N 2 0 332.448 -0.227 20 0 EBADRP CCNC(=O)C[NH2+]C1(CNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001483778678 1126476264 /nfs/dbraw/zinc/47/62/64/1126476264.db2.gz LEDVMWIIVNGYPJ-UHFFFAOYSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1([NH2+]CC(=O)N(C)C)CC1 ZINC001483791600 1126477561 /nfs/dbraw/zinc/47/75/61/1126477561.db2.gz YTKQTYGADOZTLF-ZDUSSCGKSA-N 2 0 326.441 -0.719 20 0 EBADRP CN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001493548932 1126478560 /nfs/dbraw/zinc/47/85/60/1126478560.db2.gz BBOJYNMMAKGYIJ-OAHLLOKOSA-N 2 0 338.452 -0.765 20 0 EBADRP C[C@@H]([NH2+]C1(CNC(=O)CC[NH+](C)C)CC1)C(=O)Nc1ncccn1 ZINC001483763639 1126473896 /nfs/dbraw/zinc/47/38/96/1126473896.db2.gz NFOIOYHALDHKDC-GFCCVEGCSA-N 2 0 334.424 -0.006 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@]3(CC[NH+](CC(=O)NC(N)=O)C3)C2)C1 ZINC001483846550 1126481875 /nfs/dbraw/zinc/48/18/75/1126481875.db2.gz FQKDWKZQTNMPMX-LRDDRELGSA-N 2 0 337.424 -0.943 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001483943743 1126491899 /nfs/dbraw/zinc/49/18/99/1126491899.db2.gz XFELTIHTIMASIN-GXTWGEPZSA-N 2 0 341.456 -0.391 20 0 EBADRP Cn1nncc1C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001484191227 1126513011 /nfs/dbraw/zinc/51/30/11/1126513011.db2.gz LQRTUZBAZWHJDV-ZDUSSCGKSA-N 2 0 336.440 -0.478 20 0 EBADRP C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001484355543 1126565107 /nfs/dbraw/zinc/56/51/07/1126565107.db2.gz HIJGKWLIPJQLGC-VXGBXAGGSA-N 2 0 325.413 -0.896 20 0 EBADRP CN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)C4(C[NH+](C)C)CC4)C[C@H]3C2)C1=O ZINC001484411098 1126570436 /nfs/dbraw/zinc/57/04/36/1126570436.db2.gz YUJKYFNXRLDQHB-ZNMIVQPWSA-N 2 0 334.464 -0.051 20 0 EBADRP CC(=O)NCCOCC[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001484411678 1126571136 /nfs/dbraw/zinc/57/11/36/1126571136.db2.gz CFFJIBCPPCMCTD-IYBDPMFKSA-N 2 0 340.468 -0.519 20 0 EBADRP O=C(NCCN1CCC([NH2+]CCCO)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001484419603 1126572132 /nfs/dbraw/zinc/57/21/32/1126572132.db2.gz YXYJFSLOZLRLOP-QGZVFWFLSA-N 2 0 338.496 -0.119 20 0 EBADRP COCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001484436111 1126578420 /nfs/dbraw/zinc/57/84/20/1126578420.db2.gz UHLLXFOYFWBNDW-WBVHZDCISA-N 2 0 325.453 -0.082 20 0 EBADRP O=C(C[NH+]1CCCC1)N(CCO)CC[NH2+]C[C@H]1C[C@]12CCOC2 ZINC001484501402 1126599522 /nfs/dbraw/zinc/59/95/22/1126599522.db2.gz UUDSWAJPLYWKHP-WBVHZDCISA-N 2 0 325.453 -0.081 20 0 EBADRP C[C@H]([NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCO1)C(=O)NC1CC1 ZINC001484686655 1126621759 /nfs/dbraw/zinc/62/17/59/1126621759.db2.gz AFDHVLUGTAYSEO-JSGCOSHPSA-N 2 0 326.441 -0.578 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CCO[C@H](C[NH2+][C@@H]3CCCNC3=O)C2)CC1 ZINC001484686133 1126621815 /nfs/dbraw/zinc/62/18/15/1126621815.db2.gz PENBUHPDGCWQLR-ZIAGYGMSSA-N 2 0 338.452 -0.576 20 0 EBADRP CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]CCS(C)(=O)=O)C1)[NH+](C)C ZINC001484695490 1126624429 /nfs/dbraw/zinc/62/44/29/1126624429.db2.gz DVMWSXHXCRFXDR-QWHCGFSZSA-N 2 0 335.470 -0.812 20 0 EBADRP CCNC(=O)C[NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCOCC1 ZINC001484868174 1126648737 /nfs/dbraw/zinc/64/87/37/1126648737.db2.gz CHPNMPSJVAQQKC-UHFFFAOYSA-N 2 0 340.468 -0.281 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCNS(C)(=O)=O ZINC001484982802 1126660623 /nfs/dbraw/zinc/66/06/23/1126660623.db2.gz NKTPUJKDMOIEHS-CHWSQXEVSA-N 2 0 334.486 -0.544 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NC1(CO)CC[NH+](C[C@H](C)O)CC1 ZINC001485021167 1126663887 /nfs/dbraw/zinc/66/38/87/1126663887.db2.gz JZQOTFXXTJFNRU-UONOGXRCSA-N 2 0 333.448 -0.010 20 0 EBADRP C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001485147961 1126676718 /nfs/dbraw/zinc/67/67/18/1126676718.db2.gz SJXZQLNWCRKOEH-NEPJUHHUSA-N 2 0 341.456 -0.071 20 0 EBADRP C[C@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001485205316 1126681583 /nfs/dbraw/zinc/68/15/83/1126681583.db2.gz NOSMKKCOOGOOFM-RYUDHWBXSA-N 2 0 327.429 -0.604 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]Cc2cnnn2C)C1 ZINC001485650606 1126778935 /nfs/dbraw/zinc/77/89/35/1126778935.db2.gz XRVSPWMYYHBIQB-UKRRQHHQSA-N 2 0 338.456 -0.138 20 0 EBADRP C[C@@H](CCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001485727221 1126814674 /nfs/dbraw/zinc/81/46/74/1126814674.db2.gz KKDWYIVJPQRHOK-QWHCGFSZSA-N 2 0 338.456 -0.033 20 0 EBADRP CNC(=O)[C@H](C)[N@H+](C)CCOCCNC(=O)C1CC[NH+](C)CC1 ZINC001485777379 1126824829 /nfs/dbraw/zinc/82/48/29/1126824829.db2.gz SXBQOFFYOKCMCJ-ZDUSSCGKSA-N 2 0 328.457 -0.473 20 0 EBADRP C[C@H](C(=O)N(C)C)[N@H+](C)CCOCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001485773067 1126831788 /nfs/dbraw/zinc/83/17/88/1126831788.db2.gz PHGKYBWCEMNLKM-RBSFLKMASA-N 2 0 342.484 -0.132 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCOCC[NH+](C)[C@@H]1CCNC1=O ZINC001485775399 1126834904 /nfs/dbraw/zinc/83/49/04/1126834904.db2.gz FHZYIZMBFZMRAF-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@@H]1C(F)(F)F ZINC001649051504 1126864821 /nfs/dbraw/zinc/86/48/21/1126864821.db2.gz WQLIFMNHPJHAEQ-NGZCFLSTSA-N 2 0 334.342 -0.598 20 0 EBADRP C[NH2+][C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1cnn(C)c1 ZINC001649041055 1126862234 /nfs/dbraw/zinc/86/22/34/1126862234.db2.gz DJJAXIAMNHFXMS-BZUAXINKSA-N 3 0 336.484 -0.122 20 0 EBADRP COC[C@]1(C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)C[NH2+]CCO1 ZINC001649086917 1126869467 /nfs/dbraw/zinc/86/94/67/1126869467.db2.gz OYRLATGZWXVYRJ-BBRMVZONSA-N 2 0 327.425 -0.652 20 0 EBADRP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCN1C(=O)CNC1=O ZINC001485956304 1126921698 /nfs/dbraw/zinc/92/16/98/1126921698.db2.gz VCFLHHUDXZWFOW-STQMWFEESA-N 2 0 339.440 -0.684 20 0 EBADRP Cn1ccc(C[NH2+][C@H](CO)CNC(=O)C2(C[NH+](C)C)CC2)cc1=O ZINC001486025729 1126976578 /nfs/dbraw/zinc/97/65/78/1126976578.db2.gz ATZFAAHZOQPFFO-AWEZNQCLSA-N 2 0 336.436 -0.706 20 0 EBADRP CCN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001486041209 1126988160 /nfs/dbraw/zinc/98/81/60/1126988160.db2.gz MBMJOATWXIGLQV-CABCVRRESA-N 2 0 340.468 -0.594 20 0 EBADRP CC[C@H]([NH2+][C@H](CO)CNC(=O)C1CC[NH+](C(C)C)CC1)C(N)=O ZINC001486048043 1126995502 /nfs/dbraw/zinc/99/55/02/1126995502.db2.gz HIWTTWZTFBGREN-KBPBESRZSA-N 2 0 328.457 -0.563 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)N2CCCC2)CC[N@@H+]1C ZINC001486028441 1126999237 /nfs/dbraw/zinc/99/92/37/1126999237.db2.gz VXGLVOHBLHXYJI-KKUMJFAQSA-N 2 0 340.468 -0.594 20 0 EBADRP CNC(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001486049375 1126999597 /nfs/dbraw/zinc/99/95/97/1126999597.db2.gz CZFWBCRPDRXAMT-WFASDCNBSA-N 2 0 340.468 -0.690 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001486049372 1126997571 /nfs/dbraw/zinc/99/75/71/1126997571.db2.gz CZFWBCRPDRXAMT-DOMZBBRYSA-N 2 0 340.468 -0.690 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H](CO)[NH2+]CCN2CCCC2=O)C1 ZINC001486032803 1127002686 /nfs/dbraw/zinc/00/26/86/1127002686.db2.gz DEUSZSWPNDYTHY-UONOGXRCSA-N 2 0 326.441 -0.983 20 0 EBADRP CCN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)C[N@H+](C)CC(C)(C)C)C1=O ZINC001486033067 1127003614 /nfs/dbraw/zinc/00/36/14/1127003614.db2.gz FROPLCCMAGWPGH-KGLIPLIRSA-N 2 0 342.484 -0.348 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2cccc3c2OCCO3)C1 ZINC001486061337 1127010495 /nfs/dbraw/zinc/01/04/95/1127010495.db2.gz LGZNVOFASXDRHB-HUUCEWRRSA-N 2 0 349.431 -0.024 20 0 EBADRP Cn1nnc2cc(C[NH2+][C@@H](CO)CNC(=O)C[NH+]3CCCC3)ccc21 ZINC001486062347 1127011843 /nfs/dbraw/zinc/01/18/43/1127011843.db2.gz VGKCVFFWHMGNJC-CQSZACIVSA-N 2 0 346.435 -0.369 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](CO)[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001486066824 1127016119 /nfs/dbraw/zinc/01/61/19/1127016119.db2.gz UGQPEVDNASXQMJ-ZFWWWQNUSA-N 2 0 340.468 -0.453 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(=O)NC(=O)NC)C1 ZINC001486219185 1127063622 /nfs/dbraw/zinc/06/36/22/1127063622.db2.gz RNFQUNDKNGYFQR-QWHCGFSZSA-N 2 0 341.456 -0.342 20 0 EBADRP CN(C[C@H](O)C[NH2+]Cc1cncs1)C(=O)[C@H]1CN(C)CCO1 ZINC001486266365 1127090080 /nfs/dbraw/zinc/09/00/80/1127090080.db2.gz FEIMLABRBSTCBL-DGCLKSJQSA-N 2 0 328.438 -0.617 20 0 EBADRP CC1CC[NH+](CC(=O)N(C)C[C@H](O)C[NH2+]CCn2cncn2)CC1 ZINC001486307392 1127112504 /nfs/dbraw/zinc/11/25/04/1127112504.db2.gz QECGVSUPCVBWNT-OAHLLOKOSA-N 2 0 338.456 -0.581 20 0 EBADRP C[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001486309634 1127114171 /nfs/dbraw/zinc/11/41/71/1127114171.db2.gz KIRALGCCZLSWGG-BBRMVZONSA-N 2 0 327.469 -0.102 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N(C)C2CC2)C1 ZINC001486309999 1127114700 /nfs/dbraw/zinc/11/47/00/1127114700.db2.gz HWJMORJUHCEDEU-HIFRSBDPSA-N 2 0 340.468 -0.642 20 0 EBADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@@H]2[C@H]3C[NH+](CC(N)=O)C[C@H]32)C1 ZINC001410122212 1127585919 /nfs/dbraw/zinc/58/59/19/1127585919.db2.gz WYDPJUGFPJELAN-KOFHJDLBSA-N 2 0 340.443 -0.022 20 0 EBADRP CC[C@@H](C(=O)NC[C@H](O)CNC(=O)C[N@@H+]1CCC(C)(C)C1)[NH+](C)C ZINC001410150413 1127628420 /nfs/dbraw/zinc/62/84/20/1127628420.db2.gz OWHIAYXKOHSPJN-KGLIPLIRSA-N 2 0 342.484 -0.348 20 0 EBADRP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)C(=O)NC(=O)NC)C1)[NH+](C)C ZINC001410227259 1127649458 /nfs/dbraw/zinc/64/94/58/1127649458.db2.gz PPVMCGPCKCCGQK-LPWJVIDDSA-N 2 0 341.456 -0.345 20 0 EBADRP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC)C1)[NH+](C)C ZINC001410227257 1127649471 /nfs/dbraw/zinc/64/94/71/1127649471.db2.gz PPVMCGPCKCCGQK-CYDGBPFRSA-N 2 0 341.456 -0.345 20 0 EBADRP Cc1nc(C)n(CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CN(C)CCO2)n1 ZINC001410362191 1127688334 /nfs/dbraw/zinc/68/83/34/1127688334.db2.gz XGKMTYGORNUVCS-SWLSCSKDSA-N 2 0 338.456 -0.338 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001410482861 1127726542 /nfs/dbraw/zinc/72/65/42/1127726542.db2.gz RWPCRIHMXGQPBH-QWHCGFSZSA-N 2 0 328.457 -0.332 20 0 EBADRP C[C@H](CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1)[NH2+]Cc1cnnn1C ZINC001410496120 1127729183 /nfs/dbraw/zinc/72/91/83/1127729183.db2.gz FRMZZPZVVCRSNW-ZIAGYGMSSA-N 2 0 338.456 -0.280 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC2CCCC2)CC[N@@H+]1C ZINC001410660322 1127795984 /nfs/dbraw/zinc/79/59/84/1127795984.db2.gz QVUSMGVXTPFZQG-BPLDGKMQSA-N 2 0 340.468 -0.548 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC2CCC2)CC[N@@H+]1C ZINC001410660885 1127797784 /nfs/dbraw/zinc/79/77/84/1127797784.db2.gz SLRDAQWVPWGGFT-BPLDGKMQSA-N 2 0 340.468 -0.690 20 0 EBADRP C[NH+](C)CC1(C(=O)NC[C@@H](CO)[NH2+][C@H]2CCNC2=O)CCCCC1 ZINC001410703394 1127827923 /nfs/dbraw/zinc/82/79/23/1127827923.db2.gz UPKGWWSOOVVIMZ-KBPBESRZSA-N 2 0 340.468 -0.546 20 0 EBADRP CNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001410723646 1127841304 /nfs/dbraw/zinc/84/13/04/1127841304.db2.gz KNUQJTBTZKKJEV-XHSDSOJGSA-N 2 0 348.447 -0.856 20 0 EBADRP CN(CC1CC1)C(=O)C[NH2+][C@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001410727034 1127845020 /nfs/dbraw/zinc/84/50/20/1127845020.db2.gz IZGLFULSXOIDLK-HNNXBMFYSA-N 2 0 340.468 -0.737 20 0 EBADRP Cn1nccc1CC[NH2+][C@H](CO)CNC(=O)CC1CC[NH+](C)CC1 ZINC001410736044 1127852154 /nfs/dbraw/zinc/85/21/54/1127852154.db2.gz WQRGFPFTKFXRPM-HNNXBMFYSA-N 2 0 337.468 -0.239 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]C[C@H](O)CC(F)(F)F)CC1 ZINC001410741746 1127855093 /nfs/dbraw/zinc/85/50/93/1127855093.db2.gz ZNOHZNICOOUXTN-NWDGAFQWSA-N 2 0 341.374 -0.292 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](CO)[NH2+]CCn2cc(Cl)cn2)C1 ZINC001410746942 1127859129 /nfs/dbraw/zinc/85/91/29/1127859129.db2.gz DIHPWRJISGXTDA-JSGCOSHPSA-N 2 0 343.859 -0.055 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001410748016 1127859790 /nfs/dbraw/zinc/85/97/90/1127859790.db2.gz DZOYQBSSXILIQJ-CHWSQXEVSA-N 2 0 328.457 -0.690 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC(=O)NC(=O)NC)C[C@@H]1C ZINC001410854169 1127917372 /nfs/dbraw/zinc/91/73/72/1127917372.db2.gz BTDKSVBYEFQPPT-NWDGAFQWSA-N 2 0 327.429 -0.637 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)[C@@H]1C ZINC001410870345 1127923586 /nfs/dbraw/zinc/92/35/86/1127923586.db2.gz WLFXNWXEOCRGMI-UONOGXRCSA-N 2 0 348.513 -0.203 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001410930177 1127945727 /nfs/dbraw/zinc/94/57/27/1127945727.db2.gz BGIIWZMGKLIUJT-NEPJUHHUSA-N 2 0 339.440 -0.602 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@H](C[NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001410930180 1127945741 /nfs/dbraw/zinc/94/57/41/1127945741.db2.gz BGIIWZMGKLIUJT-RYUDHWBXSA-N 2 0 339.440 -0.602 20 0 EBADRP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)CC1(C)C ZINC001410939542 1127948987 /nfs/dbraw/zinc/94/89/87/1127948987.db2.gz NGGNKYOHKHICDT-ZIAGYGMSSA-N 2 0 340.468 -0.332 20 0 EBADRP Cc1cncn1CC(=O)N(C)C[C@@H](O)CN(C)Cc1cncn1C ZINC001411171128 1128069576 /nfs/dbraw/zinc/06/95/76/1128069576.db2.gz JRRWIFLIHYSCIJ-HNNXBMFYSA-N 2 0 334.424 -0.124 20 0 EBADRP C[NH2+]CCN(CCNC(=O)C[C@@H]1CC[NH2+]C1)C(=O)C[C@@H]1CC[NH2+]C1 ZINC001649143772 1128135563 /nfs/dbraw/zinc/13/55/63/1128135563.db2.gz WLQNEVHYFXEIOZ-GJZGRUSLSA-N 3 0 339.484 -0.850 20 0 EBADRP CN(C)[C@H](Cn1cccn1)C(=O)N1C[C@H]2C[N@H+](CCCO)C[C@@]2(C)C1 ZINC001091736970 1128151266 /nfs/dbraw/zinc/15/12/66/1128151266.db2.gz GOTAIRCAJNILIO-NUJGCVRESA-N 2 0 349.479 -0.024 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CCN4CCNC4=O)C[C@@]3(C)C2)C1 ZINC001092272914 1128220185 /nfs/dbraw/zinc/22/01/85/1128220185.db2.gz IUMMICPXVHGXLI-RKVPGOIHSA-N 2 0 349.479 -0.256 20 0 EBADRP CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C2)nn1 ZINC001093340614 1128334192 /nfs/dbraw/zinc/33/41/92/1128334192.db2.gz HKFKWQHUYHODFT-UHFFFAOYSA-N 2 0 346.439 -0.157 20 0 EBADRP C[C@@H](NC(=O)c1cnn2cc(CC[NH3+])cnc12)[C@@H]1C[N@H+](C)CCN1C ZINC001649157098 1128343817 /nfs/dbraw/zinc/34/38/17/1128343817.db2.gz LJHXWQVKQXOSSS-DOMZBBRYSA-N 2 0 345.451 -0.405 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187835342 1128355750 /nfs/dbraw/zinc/35/57/50/1128355750.db2.gz TYTMUWCPLUZXLY-GFCCVEGCSA-N 2 0 325.413 -0.882 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001488001246 1128537675 /nfs/dbraw/zinc/53/76/75/1128537675.db2.gz HPNULGPQPMFBQL-CYBMUJFWSA-N 2 0 328.457 -0.594 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H](CO)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001488085502 1128590545 /nfs/dbraw/zinc/59/05/45/1128590545.db2.gz PYFLOSNHKPMPRU-CQSZACIVSA-N 2 0 340.468 -0.593 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001488068210 1128603228 /nfs/dbraw/zinc/60/32/28/1128603228.db2.gz VNCKPPMAADVLSB-KGLIPLIRSA-N 2 0 328.457 -0.596 20 0 EBADRP O=C(NCc1nc(C[NH2+]CCO)cc(=O)[nH]1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001489076160 1128905889 /nfs/dbraw/zinc/90/58/89/1128905889.db2.gz HHUZWONLVIGBOQ-ZIAGYGMSSA-N 2 0 349.435 -0.103 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]([N@@H+](CCO)CCCO)C1 ZINC001489161262 1128923508 /nfs/dbraw/zinc/92/35/08/1128923508.db2.gz UBCYOOAOLYYIFC-IAGOWNOFSA-N 2 0 339.480 -0.004 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2C1 ZINC001489192330 1128928962 /nfs/dbraw/zinc/92/89/62/1128928962.db2.gz YGWTVNCGZFGJMX-HZSPNIEDSA-N 2 0 328.432 -0.068 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1O)[NH+](C)C ZINC001489361608 1128979479 /nfs/dbraw/zinc/97/94/79/1128979479.db2.gz YTQCOSJQFRIJDI-FMKPAKJESA-N 2 0 342.484 -0.399 20 0 EBADRP CC[C@@H](C(=O)NCCC[N@H+](C)[C@@H](C)C(=O)NC(=O)NC)[NH+](C)C ZINC001490250165 1129152569 /nfs/dbraw/zinc/15/25/69/1129152569.db2.gz DPWLNKYSGWAJNI-RYUDHWBXSA-N 2 0 329.445 -0.391 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001490271829 1129154978 /nfs/dbraw/zinc/15/49/78/1129154978.db2.gz QRKJWJFKIJABQD-GFCCVEGCSA-N 2 0 339.440 -0.636 20 0 EBADRP C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001490308679 1129163341 /nfs/dbraw/zinc/16/33/41/1129163341.db2.gz VWPAFJNQQQQQFQ-CHWSQXEVSA-N 2 0 341.456 -0.118 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](C[C@@H](C)O)CC1 ZINC001490494293 1129193665 /nfs/dbraw/zinc/19/36/65/1129193665.db2.gz XNRCPUKYSSPXIZ-CVEARBPZSA-N 2 0 326.485 -0.025 20 0 EBADRP C[NH+](C)CCC(=O)N1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001490527285 1129224684 /nfs/dbraw/zinc/22/46/84/1129224684.db2.gz OMDIOUVURUYPLP-PBHICJAKSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870020931 1129265176 /nfs/dbraw/zinc/26/51/76/1129265176.db2.gz ITKNFXQKWLVEOF-YNEHKIRRSA-N 2 0 334.486 -0.878 20 0 EBADRP C[C@@H](NC(=O)CCN1CCOCC1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001411419272 1129291392 /nfs/dbraw/zinc/29/13/92/1129291392.db2.gz IMKYZPVIVUSZML-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[C@@H](C(=O)N1CC(CCO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC001411738149 1129359868 /nfs/dbraw/zinc/35/98/68/1129359868.db2.gz CUXJJQAEIATYPR-KBPBESRZSA-N 2 0 340.468 -0.500 20 0 EBADRP CC[N@H+](C)CCC(=O)NC1(CCO)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001411789605 1129385505 /nfs/dbraw/zinc/38/55/05/1129385505.db2.gz MDRODYVWOQWYSD-UHFFFAOYSA-N 2 0 340.468 -0.496 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001413265149 1129973647 /nfs/dbraw/zinc/97/36/47/1129973647.db2.gz ABTQHVADIOKUEL-CQSZACIVSA-N 2 0 342.484 -0.254 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001490956318 1130273019 /nfs/dbraw/zinc/27/30/19/1130273019.db2.gz FHWALWRFZBBMFZ-IHRRRGAJSA-N 2 0 326.441 -0.720 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001490958234 1130273645 /nfs/dbraw/zinc/27/36/45/1130273645.db2.gz RXPOVJGLDCMUJC-HAQNSBGRSA-N 2 0 325.413 -0.706 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001491030450 1130297923 /nfs/dbraw/zinc/29/79/23/1130297923.db2.gz VRFCMFJBMUSKFE-MCIONIFRSA-N 2 0 340.468 -0.284 20 0 EBADRP C[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CCN1C(=O)CCC1=O ZINC001492257508 1130610017 /nfs/dbraw/zinc/61/00/17/1130610017.db2.gz PIRXULNOFAKBEG-CQSZACIVSA-N 2 0 336.436 -0.475 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001416736379 1130778327 /nfs/dbraw/zinc/77/83/27/1130778327.db2.gz AHVBKRNHDGNEFK-WFASDCNBSA-N 2 0 349.435 -0.551 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1 ZINC001200695582 1130845509 /nfs/dbraw/zinc/84/55/09/1130845509.db2.gz AONMHWOAXJGZKE-CQSZACIVSA-N 2 0 326.441 -0.576 20 0 EBADRP CC(=O)N1CC[C@@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001413898302 1131215202 /nfs/dbraw/zinc/21/52/02/1131215202.db2.gz AAXWBQVPTROWJC-BZUAXINKSA-N 2 0 339.484 -0.012 20 0 EBADRP O=C(CC[N@H+]1CC[C@H](F)C1)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001361948287 1131485601 /nfs/dbraw/zinc/48/56/01/1131485601.db2.gz JAUOXMRSAXBRMA-HOTGVXAUSA-N 2 0 342.459 -0.057 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1C[NH+](C)C ZINC001364450130 1132321407 /nfs/dbraw/zinc/32/14/07/1132321407.db2.gz ZXKSVPYSPWZFTG-CHWSQXEVSA-N 2 0 334.486 -0.747 20 0 EBADRP C[NH+]1CCN(C2CC[NH+](C[C@H](O)C[C@@]3(O)CCOC3)CC2)CC1 ZINC001364477618 1132332858 /nfs/dbraw/zinc/33/28/58/1132332858.db2.gz VIIIFTAPRGEXAD-SJORKVTESA-N 2 0 327.469 -0.399 20 0 EBADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001364738208 1132408266 /nfs/dbraw/zinc/40/82/66/1132408266.db2.gz PKZVGQCKZUTVNK-UHFFFAOYSA-N 2 0 347.525 -0.068 20 0 EBADRP CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001365844335 1132829190 /nfs/dbraw/zinc/82/91/90/1132829190.db2.gz JUJWGRIUHFFNOF-SRVKXCTJSA-N 2 0 327.429 -0.733 20 0 EBADRP C[N@H+](CC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1)CC(C)(C)C ZINC001365855691 1132834479 /nfs/dbraw/zinc/83/44/79/1132834479.db2.gz OEYUGUCFYIHLCW-HAQNSBGRSA-N 2 0 341.456 -0.356 20 0 EBADRP CCO[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C[NH2+]CC(=O)NC ZINC001365862168 1132839337 /nfs/dbraw/zinc/83/93/37/1132839337.db2.gz KXDBHYYWZHLCAJ-ZIAGYGMSSA-N 2 0 340.468 -0.473 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001365864071 1132842021 /nfs/dbraw/zinc/84/20/21/1132842021.db2.gz GRXGOZBNBLVUDT-OLZOCXBDSA-N 2 0 341.456 -0.390 20 0 EBADRP COC[C@H](O)C[NH+]1CCN(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001365961755 1132922776 /nfs/dbraw/zinc/92/27/76/1132922776.db2.gz JHMLZEJEXYREMM-MRXNPFEDSA-N 2 0 342.484 -0.931 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC[C@H]2CCCO2)C1)[NH+](C)C ZINC001366097061 1133002258 /nfs/dbraw/zinc/00/22/58/1133002258.db2.gz ZTFLWZBFVNEHJO-RRFJBIMHSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1)C(=O)NC(N)=O ZINC001366102763 1133006712 /nfs/dbraw/zinc/00/67/12/1133006712.db2.gz CNCYGSGCCUPADG-OLZOCXBDSA-N 2 0 339.440 -0.364 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001366103564 1133007048 /nfs/dbraw/zinc/00/70/48/1133007048.db2.gz UEYHUVCIOPWRHT-LBPRGKRZSA-N 2 0 327.429 -0.636 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC[C@@H]3CCOC3)C2)C1 ZINC001366129130 1133019570 /nfs/dbraw/zinc/01/95/70/1133019570.db2.gz FRJZJDJBGXNGRH-XGUBFFRZSA-N 2 0 338.452 -0.672 20 0 EBADRP CCN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001366129157 1133019839 /nfs/dbraw/zinc/01/98/39/1133019839.db2.gz GGWQBVJJFVRTJX-KKUMJFAQSA-N 2 0 340.468 -0.330 20 0 EBADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(=O)NC)C1)[NH+](CC)CC ZINC001366154479 1133029686 /nfs/dbraw/zinc/02/96/86/1133029686.db2.gz IXBHSZJYRAVGOA-FRRDWIJNSA-N 2 0 341.456 -0.201 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1)C(N)=O ZINC001366164519 1133034606 /nfs/dbraw/zinc/03/46/06/1133034606.db2.gz WTHNYPHLOGHCLN-RWMBFGLXSA-N 2 0 326.441 -0.545 20 0 EBADRP O=C(C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1)NC[C@@H]1CCCO1 ZINC001366165480 1133035193 /nfs/dbraw/zinc/03/51/93/1133035193.db2.gz PIKWOEKWVFDDAF-ZNMIVQPWSA-N 2 0 338.452 -0.386 20 0 EBADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001366228370 1133064806 /nfs/dbraw/zinc/06/48/06/1133064806.db2.gz HAPUKOWDKJBIIS-NEPJUHHUSA-N 2 0 327.429 -0.650 20 0 EBADRP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001366234563 1133068096 /nfs/dbraw/zinc/06/80/96/1133068096.db2.gz WYJYYMSBDXRSKY-OLZOCXBDSA-N 2 0 339.440 -0.506 20 0 EBADRP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CCN1CCNC1=O ZINC001366300055 1133090256 /nfs/dbraw/zinc/09/02/56/1133090256.db2.gz ZURMJWPZLWAPHM-KBPBESRZSA-N 2 0 325.457 -0.020 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001366325437 1133099924 /nfs/dbraw/zinc/09/99/24/1133099924.db2.gz RRWHTZXATHXOOJ-GHMZBOCLSA-N 2 0 327.429 -0.733 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001366385456 1133123723 /nfs/dbraw/zinc/12/37/23/1133123723.db2.gz KOEINUGNNMQADT-GXTWGEPZSA-N 2 0 341.456 -0.391 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001366469922 1133152525 /nfs/dbraw/zinc/15/25/25/1133152525.db2.gz CUYDQVLARRVQEH-GFCCVEGCSA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCN(C)S(C)(=O)=O ZINC001366478007 1133154243 /nfs/dbraw/zinc/15/42/43/1133154243.db2.gz PZKWKVCTHIOEOI-KBPBESRZSA-N 2 0 348.513 -0.154 20 0 EBADRP C[C@@H](CCNC(=O)C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001366485161 1133155992 /nfs/dbraw/zinc/15/59/92/1133155992.db2.gz DSQLGSNBAOSBSR-STQMWFEESA-N 2 0 341.456 -0.214 20 0 EBADRP CN(CC[NH2+][C@H]1CCCNC1=O)C(=O)COC1CC[NH+](C)CC1 ZINC001366769524 1133290284 /nfs/dbraw/zinc/29/02/84/1133290284.db2.gz PYUHLPPWDOUNAN-AWEZNQCLSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@H]([NH2+]CC(=O)NC(N)=O)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001366780317 1133295262 /nfs/dbraw/zinc/29/52/62/1133295262.db2.gz DOAMCIFKJIFOKB-LBPRGKRZSA-N 2 0 339.440 -0.506 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001366853480 1133321837 /nfs/dbraw/zinc/32/18/37/1133321837.db2.gz PFBUHFRVGPULQN-GJZGRUSLSA-N 2 0 325.453 -0.082 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CCN2CCNC2=O)C1 ZINC001367054620 1133456248 /nfs/dbraw/zinc/45/62/48/1133456248.db2.gz BRJSTNGDPNIYEZ-AWEZNQCLSA-N 2 0 325.457 -0.116 20 0 EBADRP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC001367061050 1133460713 /nfs/dbraw/zinc/46/07/13/1133460713.db2.gz PKWVVWOSWWXNHK-CABCVRRESA-N 2 0 340.468 -0.546 20 0 EBADRP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCN1CCCS1(=O)=O ZINC001367112464 1133478219 /nfs/dbraw/zinc/47/82/19/1133478219.db2.gz KZJRTXHXUNLULE-ZIAGYGMSSA-N 2 0 346.497 -0.400 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC2(C[NH2+]CC(N)=O)CCCC2)n1 ZINC001367156956 1133489960 /nfs/dbraw/zinc/48/99/60/1133489960.db2.gz MJWPWNGHCYJJQS-UHFFFAOYSA-N 2 0 336.440 -0.438 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001367221257 1133504656 /nfs/dbraw/zinc/50/46/56/1133504656.db2.gz PMLUMWKQSDCSFP-NEPJUHHUSA-N 2 0 345.419 -0.558 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]C[C@H](O)CN1CCCC1=O ZINC001367280030 1133523843 /nfs/dbraw/zinc/52/38/43/1133523843.db2.gz XXEHYBGAOUXEBJ-QLFBSQMISA-N 2 0 340.468 -0.594 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001367293232 1133528428 /nfs/dbraw/zinc/52/84/28/1133528428.db2.gz PMXCDWDZBJDLGN-CHWSQXEVSA-N 2 0 328.457 -0.426 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)N1CCOCC1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001367358917 1133561677 /nfs/dbraw/zinc/56/16/77/1133561677.db2.gz NIOFBVYOVYBYBX-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H](C[NH2+][C@H](C)C(=O)NC(=O)NC1CC1)N(C)C(=O)CC[NH+](C)C ZINC001367375408 1133568817 /nfs/dbraw/zinc/56/88/17/1133568817.db2.gz JGBZPMLMRRPBAE-VXGBXAGGSA-N 2 0 341.456 -0.249 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001367426296 1133586803 /nfs/dbraw/zinc/58/68/03/1133586803.db2.gz VCCQIGXZNQQHRM-FRRDWIJNSA-N 2 0 338.456 -0.225 20 0 EBADRP CC(C)[C@@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)[NH2+]CC(=O)N(C)C ZINC001367496218 1133602906 /nfs/dbraw/zinc/60/29/06/1133602906.db2.gz WYNNKXWFUGZYTJ-HUUCEWRRSA-N 2 0 342.484 -0.227 20 0 EBADRP CC[C@H]([NH2+]C[C@H](O)CNC(=O)C(C)(C)[NH+]1CCCCC1)C(N)=O ZINC001367579209 1133647152 /nfs/dbraw/zinc/64/71/52/1133647152.db2.gz JHVZGGIQYUWOPH-STQMWFEESA-N 2 0 328.457 -0.419 20 0 EBADRP COc1ncccc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001367588123 1133658655 /nfs/dbraw/zinc/65/86/55/1133658655.db2.gz ZFHWUYVXFQIZFG-HZPDHXFCSA-N 2 0 348.447 -0.001 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001367593724 1133666381 /nfs/dbraw/zinc/66/63/81/1133666381.db2.gz LMQORQGHTGNVOK-OLZOCXBDSA-N 2 0 326.441 -0.936 20 0 EBADRP CC1CC[NH+](CC(=O)NC[C@@H](O)C[NH2+][C@@H]2CCCN(C)C2=O)CC1 ZINC001367618240 1133701281 /nfs/dbraw/zinc/70/12/81/1133701281.db2.gz YCLOIAKDKOQPQK-LSDHHAIUSA-N 2 0 340.468 -0.594 20 0 EBADRP CC(C)(C)CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001367624624 1133711464 /nfs/dbraw/zinc/71/14/64/1133711464.db2.gz MZPZLRXNBBKLMG-CYBMUJFWSA-N 2 0 328.457 -0.689 20 0 EBADRP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001367642697 1133727577 /nfs/dbraw/zinc/72/75/77/1133727577.db2.gz IBZHEGCEGVEFGD-ZDUSSCGKSA-N 2 0 328.457 -0.343 20 0 EBADRP C[C@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001367681384 1133744246 /nfs/dbraw/zinc/74/42/46/1133744246.db2.gz QXIOFVVSWJDAJU-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)NC(=O)C[NH+]1CCCC1 ZINC001367713858 1133757010 /nfs/dbraw/zinc/75/70/10/1133757010.db2.gz WYPRIMOQYUIKBR-NEPJUHHUSA-N 2 0 339.440 -0.447 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001367730780 1133763203 /nfs/dbraw/zinc/76/32/03/1133763203.db2.gz FUPPYQROWRTUAV-DMDPSCGWSA-N 2 0 339.440 -0.591 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001367755958 1133773001 /nfs/dbraw/zinc/77/30/01/1133773001.db2.gz RUKZKLUQOIXLFQ-YNEHKIRRSA-N 2 0 343.472 -0.099 20 0 EBADRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001367758524 1133774315 /nfs/dbraw/zinc/77/43/15/1133774315.db2.gz VWAYLDXERUQZEL-GVXVVHGQSA-N 2 0 341.456 -0.202 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001367777450 1133781310 /nfs/dbraw/zinc/78/13/10/1133781310.db2.gz UYEDZBKLMFEHLC-UONOGXRCSA-N 2 0 348.513 -0.298 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C2CC2)CCO1 ZINC001367913510 1133837527 /nfs/dbraw/zinc/83/75/27/1133837527.db2.gz RECGZADMMLPSOD-HIFRSBDPSA-N 2 0 340.468 -0.330 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001368003386 1133889654 /nfs/dbraw/zinc/88/96/54/1133889654.db2.gz QFIBQCWZVRYYHS-GHMZBOCLSA-N 2 0 325.413 -0.979 20 0 EBADRP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1)C(=O)NC(N)=O ZINC001368105059 1133940078 /nfs/dbraw/zinc/94/00/78/1133940078.db2.gz CWKYQKSFWDTSNL-WCQYABFASA-N 2 0 339.440 -0.508 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001368110010 1133941974 /nfs/dbraw/zinc/94/19/74/1133941974.db2.gz PQAOGJZOXSSOGU-KBPBESRZSA-N 2 0 331.482 -0.047 20 0 EBADRP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2)C(=O)NC(N)=O ZINC001368127014 1133950305 /nfs/dbraw/zinc/95/03/05/1133950305.db2.gz PDZQOTNKARBGIX-RYUDHWBXSA-N 2 0 337.424 -0.754 20 0 EBADRP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2)C(=O)NC(N)=O ZINC001368127020 1133950725 /nfs/dbraw/zinc/95/07/25/1133950725.db2.gz PDZQOTNKARBGIX-VXGBXAGGSA-N 2 0 337.424 -0.754 20 0 EBADRP CCCNC(=O)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCOCC1 ZINC001368238102 1134006587 /nfs/dbraw/zinc/00/65/87/1134006587.db2.gz DKRZPHKPVZNXLD-UHFFFAOYSA-N 2 0 340.468 -0.137 20 0 EBADRP CCN1CC[C@@H]([N@@H+]2CC[C@@](O)(CNC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001368290417 1134108293 /nfs/dbraw/zinc/10/82/93/1134108293.db2.gz USSJIVBZTRAARP-RHSMWYFYSA-N 2 0 338.452 -0.744 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCN1CCC([NH2+]CC(N)=O)CC1 ZINC001368360434 1134164959 /nfs/dbraw/zinc/16/49/59/1134164959.db2.gz GJRXVPFURGBSJH-AWEZNQCLSA-N 2 0 325.457 -0.874 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001368508916 1134262046 /nfs/dbraw/zinc/26/20/46/1134262046.db2.gz HAABOLWTSGAGPP-CVEARBPZSA-N 2 0 343.468 -0.313 20 0 EBADRP CCCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCO1 ZINC001368509629 1134262278 /nfs/dbraw/zinc/26/22/78/1134262278.db2.gz LLZHWZZKHDNEGB-ZBFHGGJFSA-N 2 0 342.484 -0.084 20 0 EBADRP CC[C@H](C)NC(=O)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001368517959 1134269997 /nfs/dbraw/zinc/26/99/97/1134269997.db2.gz SCEFALONVDXECE-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CC(=O)NC(=O)NC)CC1)[NH+](C)C ZINC001368530904 1134277687 /nfs/dbraw/zinc/27/76/87/1134277687.db2.gz HKGNSYNJEPOJQB-QWHCGFSZSA-N 2 0 341.456 -0.247 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1)C(=O)NC(N)=O ZINC001368535561 1134280955 /nfs/dbraw/zinc/28/09/55/1134280955.db2.gz HORRJOAKSBMSTG-FIQHERPVSA-N 2 0 325.413 -0.994 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCO1 ZINC001368563252 1134291485 /nfs/dbraw/zinc/29/14/85/1134291485.db2.gz AMCIXKJYVMPYEJ-LSDHHAIUSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+][C@H]2C[C@H](CNC(=O)CC[NH+](C)C)C2)CCO1 ZINC001368577392 1134300591 /nfs/dbraw/zinc/30/05/91/1134300591.db2.gz AGROMZFSZVXVQO-RBSFLKMASA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001368603250 1134317579 /nfs/dbraw/zinc/31/75/79/1134317579.db2.gz BWNVKDOSRNTPOJ-AJNGGQMLSA-N 2 0 338.452 -0.672 20 0 EBADRP COC[C@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001368609674 1134321469 /nfs/dbraw/zinc/32/14/69/1134321469.db2.gz APUODOXQPVOGKZ-GDBMZVCRSA-N 2 0 343.468 -0.579 20 0 EBADRP CN(C)C(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001368613160 1134323971 /nfs/dbraw/zinc/32/39/71/1134323971.db2.gz JVDZJYTWPUXXCB-YOEHRIQHSA-N 2 0 340.468 -0.498 20 0 EBADRP CCNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001368621393 1134332541 /nfs/dbraw/zinc/33/25/41/1134332541.db2.gz IQCHKQUWPMHODY-INIZCTEOSA-N 2 0 328.457 -0.593 20 0 EBADRP CCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001368621397 1134332608 /nfs/dbraw/zinc/33/26/08/1134332608.db2.gz IQCHKQUWPMHODY-MRXNPFEDSA-N 2 0 328.457 -0.593 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCC[C@](CO)([NH2+]CCn2cncn2)C1 ZINC001368628004 1134340231 /nfs/dbraw/zinc/34/02/31/1134340231.db2.gz JKDSWDXLPNGBNL-INIZCTEOSA-N 2 0 336.440 -0.683 20 0 EBADRP C[C@H]([NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCOCC1)C(N)=O ZINC001368630623 1134342545 /nfs/dbraw/zinc/34/25/45/1134342545.db2.gz UHABCYJUROUOMP-YNEHKIRRSA-N 2 0 326.441 -0.545 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CC(=O)N2CCC2)CCOCC1 ZINC001368630783 1134343603 /nfs/dbraw/zinc/34/36/03/1134343603.db2.gz XWUYSBAFZSBKLC-CQSZACIVSA-N 2 0 338.452 -0.432 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001368634692 1134346651 /nfs/dbraw/zinc/34/66/51/1134346651.db2.gz CGKKOYFDVZQJJR-QWHCGFSZSA-N 2 0 326.441 -0.672 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001368649707 1134355329 /nfs/dbraw/zinc/35/53/29/1134355329.db2.gz GCQGSYYWORRPKU-GFCCVEGCSA-N 2 0 339.440 -0.493 20 0 EBADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]C[C@@H](O)COC ZINC001368654172 1134356702 /nfs/dbraw/zinc/35/67/02/1134356702.db2.gz AAYGZTYZJNHAET-KLHDSHLOSA-N 2 0 343.468 -0.459 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1C ZINC001368655975 1134358495 /nfs/dbraw/zinc/35/84/95/1134358495.db2.gz WNDHWOBMQUTAMF-UONOGXRCSA-N 2 0 340.468 -0.473 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1(C)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001368660140 1134361037 /nfs/dbraw/zinc/36/10/37/1134361037.db2.gz WSJIUFZLVGVIRC-UHFFFAOYSA-N 2 0 341.456 -0.246 20 0 EBADRP NC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001368684736 1134384230 /nfs/dbraw/zinc/38/42/30/1134384230.db2.gz GTDPZNFRCBFUQN-KBPBESRZSA-N 2 0 338.452 -0.568 20 0 EBADRP CC[C@@H](C)NC(=O)C[NH2+]CC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001368695611 1134396579 /nfs/dbraw/zinc/39/65/79/1134396579.db2.gz UYVJKHXTJBVPBQ-CQSZACIVSA-N 2 0 342.484 -0.204 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)NCc1nc(C[NH2+]C[C@@H](C)O)cc(=O)[nH]1 ZINC001368699194 1134397342 /nfs/dbraw/zinc/39/73/42/1134397342.db2.gz NCMPFDALXSMLLG-LLVKDONJSA-N 2 0 325.413 -0.391 20 0 EBADRP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CCN1CCNC1=O ZINC001368737750 1134413682 /nfs/dbraw/zinc/41/36/82/1134413682.db2.gz SPGFIJOAXQKDMZ-KBPBESRZSA-N 2 0 325.457 -0.162 20 0 EBADRP C[C@H](O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001368738800 1134415059 /nfs/dbraw/zinc/41/50/59/1134415059.db2.gz VSEDJMBREAMLKV-LSDHHAIUSA-N 2 0 325.453 -0.252 20 0 EBADRP C[C@@H](CCNC(=O)CC[NH+]1CCCCC1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001368752457 1134418000 /nfs/dbraw/zinc/41/80/00/1134418000.db2.gz CDRIZIYIZRNYMG-STQMWFEESA-N 2 0 341.456 -0.070 20 0 EBADRP COC[C@H](O)C[NH+]1CCC(CO)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001368780600 1134437796 /nfs/dbraw/zinc/43/77/96/1134437796.db2.gz PJJFGELEPAYIAG-CQSZACIVSA-N 2 0 329.441 -0.967 20 0 EBADRP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001368846061 1134464209 /nfs/dbraw/zinc/46/42/09/1134464209.db2.gz SBYWYRRATJAYHR-UONOGXRCSA-N 2 0 340.468 -0.188 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CC(=O)N2CCC2)C1 ZINC001369155577 1134596663 /nfs/dbraw/zinc/59/66/63/1134596663.db2.gz JUVUBNIGPXDPNB-LSDHHAIUSA-N 2 0 340.468 -0.236 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001369237343 1134625815 /nfs/dbraw/zinc/62/58/15/1134625815.db2.gz JVCUYGPFTPHPEX-QJPTWQEYSA-N 2 0 327.429 -0.781 20 0 EBADRP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001369350015 1134699950 /nfs/dbraw/zinc/69/99/50/1134699950.db2.gz ANEPNZWECVSQHS-LBPRGKRZSA-N 2 0 339.440 -0.493 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)C[C@H](C)[NH2+]CCS(C)(=O)=O ZINC001369353307 1134703479 /nfs/dbraw/zinc/70/34/79/1134703479.db2.gz DCIMIEIRSYLNIB-KGLIPLIRSA-N 2 0 349.497 -0.564 20 0 EBADRP CN1CCC[C@@H]([NH2+][C@@H](CO)CNC(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001369354540 1134705227 /nfs/dbraw/zinc/70/52/27/1134705227.db2.gz OLHUJOJJXHTPAI-ZIAGYGMSSA-N 2 0 340.468 -0.452 20 0 EBADRP C[C@@H]1[C@@H]([NH2+]CC(=O)Nc2cnccn2)CCN1C(=O)CC[NH+](C)C ZINC001369395566 1134755349 /nfs/dbraw/zinc/75/53/49/1134755349.db2.gz RQLWJTIRNCYZOA-OLZOCXBDSA-N 2 0 334.424 -0.054 20 0 EBADRP CC(C)[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnnn1C)[NH+](C)C ZINC001369478884 1134843184 /nfs/dbraw/zinc/84/31/84/1134843184.db2.gz FCCHMFXMDUKSLV-UONOGXRCSA-N 2 0 326.445 -0.690 20 0 EBADRP CC(C)[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccnn1C)[NH+](C)C ZINC001369479322 1134843198 /nfs/dbraw/zinc/84/31/98/1134843198.db2.gz ZRZNPJIVLBLSRZ-GJZGRUSLSA-N 2 0 325.457 -0.085 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001369480525 1134847333 /nfs/dbraw/zinc/84/73/33/1134847333.db2.gz OGTLJJJGYZXPBI-KGLIPLIRSA-N 2 0 328.457 -0.785 20 0 EBADRP CCN1CC[C@H]([NH2+]C[C@H](O)CN(C)C(=O)C23CC[NH+](CC2)C3)C1=O ZINC001369489579 1134863390 /nfs/dbraw/zinc/86/33/90/1134863390.db2.gz XRTXVMKZZOGHQN-KBPBESRZSA-N 2 0 338.452 -0.888 20 0 EBADRP CC[C@@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001369515584 1134911687 /nfs/dbraw/zinc/91/16/87/1134911687.db2.gz JEQVZQRKHFCRJC-GJZGRUSLSA-N 2 0 342.484 -0.267 20 0 EBADRP CC[C@H](C(N)=O)[N@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001369515590 1134911851 /nfs/dbraw/zinc/91/18/51/1134911851.db2.gz JEQVZQRKHFCRJC-LSDHHAIUSA-N 2 0 342.484 -0.267 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@H](C[N@H+](C)CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001370322511 1135302802 /nfs/dbraw/zinc/30/28/02/1135302802.db2.gz NEUIANLYMQJKKW-CHWSQXEVSA-N 2 0 341.456 -0.308 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1)[NH+](C)C ZINC001370362538 1135318993 /nfs/dbraw/zinc/31/89/93/1135318993.db2.gz JEYMBBXQYZESAP-QLFBSQMISA-N 2 0 340.468 -0.330 20 0 EBADRP CN(CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1)S(C)(=O)=O ZINC001370438702 1135351124 /nfs/dbraw/zinc/35/11/24/1135351124.db2.gz BPSGIBPYUMYWNC-AVGNSLFASA-N 2 0 332.470 -0.791 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001370515907 1135387002 /nfs/dbraw/zinc/38/70/02/1135387002.db2.gz HXJGMDCXKBSRLY-HDJSIYSDSA-N 2 0 346.497 -0.400 20 0 EBADRP CN(CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1)S(C)(=O)=O ZINC001370651472 1135454457 /nfs/dbraw/zinc/45/44/57/1135454457.db2.gz SKYPTWLEHKDVKH-HZSPNIEDSA-N 2 0 346.497 -0.401 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001370653837 1135456798 /nfs/dbraw/zinc/45/67/98/1135456798.db2.gz IVMMVBUWODWILR-XQQFMLRXSA-N 2 0 339.440 -0.462 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](O)Cn3cccn3)C2)CC1 ZINC001370668198 1135472047 /nfs/dbraw/zinc/47/20/47/1135472047.db2.gz TWMUGIANOGBULB-XHSDSOJGSA-N 2 0 335.452 -0.177 20 0 EBADRP C[N@H+](CC(=O)NC[C@@H](CO)NC(=O)C12CC[NH+](CC1)C2)C1CCC1 ZINC001370723190 1135548100 /nfs/dbraw/zinc/54/81/00/1135548100.db2.gz BKROXQRMRMBYQO-ZDUSSCGKSA-N 2 0 338.452 -0.840 20 0 EBADRP CC[C@@H](C(=O)N[C@H](CO)CNC(=O)C1CC[NH+](C)CC1)[NH+](C)C ZINC001370727309 1135554913 /nfs/dbraw/zinc/55/49/13/1135554913.db2.gz SAFTUUSTFYTDAA-KBPBESRZSA-N 2 0 328.457 -0.738 20 0 EBADRP C[NH+](C)CC1(C(=O)NC[C@@H](CO)NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001370780936 1135626257 /nfs/dbraw/zinc/62/62/57/1135626257.db2.gz TXZQFKZNZZOBIH-ZDUSSCGKSA-N 2 0 340.468 -0.594 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001370857706 1135674145 /nfs/dbraw/zinc/67/41/45/1135674145.db2.gz YLZQVVDVQJVDLS-OLZOCXBDSA-N 2 0 341.456 -0.390 20 0 EBADRP CC[NH+](CC)CC(=O)N(C)C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001371006073 1135762954 /nfs/dbraw/zinc/76/29/54/1135762954.db2.gz FJYCTVGWFMOFER-HNNXBMFYSA-N 2 0 342.484 -0.395 20 0 EBADRP CN(C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)CCC[NH+](C)C ZINC001371017705 1135781123 /nfs/dbraw/zinc/78/11/23/1135781123.db2.gz GUZKDBGAJOOCKW-KGLIPLIRSA-N 2 0 328.457 -0.785 20 0 EBADRP C[C@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)[NH2+]CCn1cncn1 ZINC001371241323 1135870635 /nfs/dbraw/zinc/87/06/35/1135870635.db2.gz GNJWDZKNWQZWKY-CQSZACIVSA-N 2 0 338.456 -0.269 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1)[NH+](C)C ZINC001371461280 1135922112 /nfs/dbraw/zinc/92/21/12/1135922112.db2.gz MUFDIHOPOHWBJY-HZSPNIEDSA-N 2 0 340.468 -0.501 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)C[C@H]1O ZINC001371461901 1135922693 /nfs/dbraw/zinc/92/26/93/1135922693.db2.gz QPPJVJOPAUGOPT-HZSPNIEDSA-N 2 0 326.441 -0.891 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001371462049 1135922901 /nfs/dbraw/zinc/92/29/01/1135922901.db2.gz NROACFCFHRDEQA-RRFJBIMHSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[C@H](C(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1O)[NH+](C)C ZINC001371466491 1135926117 /nfs/dbraw/zinc/92/61/17/1135926117.db2.gz NYOIQEAZUOGISQ-AAVRWANBSA-N 2 0 326.441 -0.891 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@H]1O ZINC001371482265 1135933733 /nfs/dbraw/zinc/93/37/33/1135933733.db2.gz XTPGHAKXAIXIRU-RBSFLKMASA-N 2 0 340.468 -0.500 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1OC ZINC001371511872 1135941898 /nfs/dbraw/zinc/94/18/98/1135941898.db2.gz KGEHWNOMDGQSSB-ZIAGYGMSSA-N 2 0 328.457 -0.378 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCOCC3)C2)CC1 ZINC001371534785 1135958618 /nfs/dbraw/zinc/95/86/18/1135958618.db2.gz YFSHCDSVBGWFAN-AWEZNQCLSA-N 2 0 338.452 -0.623 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001371760684 1136015086 /nfs/dbraw/zinc/01/50/86/1136015086.db2.gz IPKDBGOOFVGWNO-RYUDHWBXSA-N 2 0 327.429 -0.462 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001371763612 1136015966 /nfs/dbraw/zinc/01/59/66/1136015966.db2.gz CHBVNJIXFDUTLW-QWHCGFSZSA-N 2 0 341.456 -0.199 20 0 EBADRP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC1CCS(=O)(=O)CC1 ZINC001372135177 1136119355 /nfs/dbraw/zinc/11/93/55/1136119355.db2.gz RULGVVKAAFPOQC-CQSZACIVSA-N 2 0 331.482 -0.047 20 0 EBADRP C[NH+](C)CCC(=O)NCCN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001372218575 1136142337 /nfs/dbraw/zinc/14/23/37/1136142337.db2.gz GQBCNTZDHSDJOL-OAHLLOKOSA-N 2 0 339.484 -0.707 20 0 EBADRP CC[C@H](C(=O)N1CCN(CCNC(=O)CC[NH+](C)C)CC1)[NH+](C)C ZINC001372219798 1136143258 /nfs/dbraw/zinc/14/32/58/1136143258.db2.gz LSJUJVPGZYNYSA-OAHLLOKOSA-N 2 0 341.500 -0.461 20 0 EBADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)C(=O)NC(=O)NC1CC1 ZINC001372926685 1136328559 /nfs/dbraw/zinc/32/85/59/1136328559.db2.gz SMJPFVNQVMLUSY-YPMHNXCESA-N 2 0 339.440 -0.495 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001373250225 1136408545 /nfs/dbraw/zinc/40/85/45/1136408545.db2.gz YRELLJJAXMLRMQ-CYBMUJFWSA-N 2 0 338.456 -0.223 20 0 EBADRP COC[C@@H](O)C[NH+]1CCN(CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001373257961 1136410285 /nfs/dbraw/zinc/41/02/85/1136410285.db2.gz HWQLWVSDSMFFGD-JKSUJKDBSA-N 2 0 342.484 -0.836 20 0 EBADRP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](C[C@H](O)CN2CCCC2=O)C1)[NH+](C)C ZINC001373646144 1136524788 /nfs/dbraw/zinc/52/47/88/1136524788.db2.gz NMMIUGZSEJPONG-ILXRZTDVSA-N 2 0 340.468 -0.500 20 0 EBADRP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC(=O)Nc1cnccn1 ZINC001373823849 1136567688 /nfs/dbraw/zinc/56/76/88/1136567688.db2.gz ZHFHVSRXYZLNLY-CYBMUJFWSA-N 2 0 346.435 -0.005 20 0 EBADRP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC(=O)Nc1cnccn1 ZINC001373823850 1136567735 /nfs/dbraw/zinc/56/77/35/1136567735.db2.gz ZHFHVSRXYZLNLY-ZDUSSCGKSA-N 2 0 346.435 -0.005 20 0 EBADRP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCN1CCCS1(=O)=O ZINC001373825732 1136567770 /nfs/dbraw/zinc/56/77/70/1136567770.db2.gz OSUXSDNUPFUMKV-CQSZACIVSA-N 2 0 346.497 -0.398 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCC[C@@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC001373974790 1136597004 /nfs/dbraw/zinc/59/70/04/1136597004.db2.gz QMEQVYAUCTYXAU-CVEARBPZSA-N 2 0 335.452 -0.080 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001374237012 1136655010 /nfs/dbraw/zinc/65/50/10/1136655010.db2.gz YECSFNJBCSNDRC-VXGBXAGGSA-N 2 0 327.429 -0.508 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001374237007 1136655277 /nfs/dbraw/zinc/65/52/77/1136655277.db2.gz YECSFNJBCSNDRC-NEPJUHHUSA-N 2 0 327.429 -0.508 20 0 EBADRP CC(C)[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCS(C)(=O)=O ZINC001374443025 1136689098 /nfs/dbraw/zinc/68/90/98/1136689098.db2.gz HXSHGGIGAIFWJZ-ZDUSSCGKSA-N 2 0 331.482 -0.143 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCNS(C)(=O)=O)C1 ZINC001374560701 1136718867 /nfs/dbraw/zinc/71/88/67/1136718867.db2.gz DUNGHRGOYKNDAL-UONOGXRCSA-N 2 0 346.497 -0.590 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCNS(C)(=O)=O)C1 ZINC001374560700 1136719292 /nfs/dbraw/zinc/71/92/92/1136719292.db2.gz DUNGHRGOYKNDAL-KGLIPLIRSA-N 2 0 346.497 -0.590 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCN2CCNC2=O)C1 ZINC001374563935 1136720521 /nfs/dbraw/zinc/72/05/21/1136720521.db2.gz XLEMVPFSVUREAN-HUUCEWRRSA-N 2 0 337.468 -0.114 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NCc1ccccc1 ZINC001374589185 1136731562 /nfs/dbraw/zinc/73/15/62/1136731562.db2.gz HKDILBZYVGKJIH-CVEARBPZSA-N 2 0 348.447 -0.536 20 0 EBADRP Cc1nnsc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001374606298 1136742089 /nfs/dbraw/zinc/74/20/89/1136742089.db2.gz SEJKSYDBIMZQMU-CHWSQXEVSA-N 2 0 339.465 -0.245 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001374632706 1136763161 /nfs/dbraw/zinc/76/31/61/1136763161.db2.gz KKMXEDNVLFITMR-CQSZACIVSA-N 2 0 342.484 -0.347 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cccc3c2OCCO3)C1 ZINC001374687165 1136802789 /nfs/dbraw/zinc/80/27/89/1136802789.db2.gz ZJISQFBUYOALQF-LSDHHAIUSA-N 2 0 349.431 -0.024 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001374798924 1136835773 /nfs/dbraw/zinc/83/57/73/1136835773.db2.gz IVKSBGNQGGKFBJ-YPMHNXCESA-N 2 0 339.440 -0.447 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001374931718 1136878644 /nfs/dbraw/zinc/87/86/44/1136878644.db2.gz RJBHXXPPYZGANP-WDEREUQCSA-N 2 0 327.429 -0.733 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001374963233 1136885035 /nfs/dbraw/zinc/88/50/35/1136885035.db2.gz TVIBUBGUWOKXKA-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@H](C[N@H+](C)C[C@H](O)Cn1cccn1)NC(=O)C12CC[NH+](CC1)C2 ZINC001375132266 1136923084 /nfs/dbraw/zinc/92/30/84/1136923084.db2.gz HAQRPBNUOVCJOR-CABCVRRESA-N 2 0 335.452 -0.224 20 0 EBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CCO1 ZINC000642793874 376190612 /nfs/dbraw/zinc/19/06/12/376190612.db2.gz AMMODMFEDYIKQJ-TZMCWYRMSA-N 2 0 326.441 -0.448 20 0 EBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000583928843 375887595 /nfs/dbraw/zinc/88/75/95/375887595.db2.gz SYVUTYCELXGHPJ-CYBMUJFWSA-N 2 0 325.457 -0.970 20 0 EBADRP CC(C)O[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000583934741 375887927 /nfs/dbraw/zinc/88/79/27/375887927.db2.gz TVZGNBVPDRSONP-OAHLLOKOSA-N 2 0 342.484 -0.036 20 0 EBADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)C2)C1 ZINC000643593603 375922054 /nfs/dbraw/zinc/92/20/54/375922054.db2.gz XUKWALGDHZRFLQ-RKVPGOIHSA-N 2 0 334.464 -0.001 20 0 EBADRP O[C@H]1CC[NH+](CCNc2cncc(NCC[N@H+]3CC[C@H](O)C3)n2)C1 ZINC000624778348 375935189 /nfs/dbraw/zinc/93/51/89/375935189.db2.gz ZERZMWVZQXBFAN-KBPBESRZSA-N 2 0 336.440 -0.566 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CCSC1 ZINC000642768755 376087707 /nfs/dbraw/zinc/08/77/07/376087707.db2.gz ANTJVSUJEXKECW-ZENOOKHLSA-N 2 0 340.493 -0.250 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCSC1 ZINC000642768931 376088505 /nfs/dbraw/zinc/08/85/05/376088505.db2.gz SGWQYCBIJYTDTK-ZOWXZIJZSA-N 2 0 326.466 -0.782 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000642773219 376094245 /nfs/dbraw/zinc/09/42/45/376094245.db2.gz BUXJCRYHMGMGPD-BFHYXJOUSA-N 2 0 326.441 -0.448 20 0 EBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCC(C)CC2)CCO1 ZINC000642732159 376055671 /nfs/dbraw/zinc/05/56/71/376055671.db2.gz JQDFAJOWAOIKKC-KGLIPLIRSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)CCO1 ZINC000642733343 376058322 /nfs/dbraw/zinc/05/83/22/376058322.db2.gz FUWGBTPNKZWVIS-MCIONIFRSA-N 2 0 326.441 -0.448 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642758189 376082176 /nfs/dbraw/zinc/08/21/76/376082176.db2.gz XLDXKNIGSGPDLY-UONOGXRCSA-N 2 0 326.441 -0.528 20 0 EBADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NC1C[NH2+]C1 ZINC000557297427 376169376 /nfs/dbraw/zinc/16/93/76/376169376.db2.gz LTIBPKNQGVESTG-UHFFFAOYSA-N 2 0 340.374 -0.057 20 0 EBADRP O=C(NC1C[NH2+]C1)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000557297549 376170129 /nfs/dbraw/zinc/17/01/29/376170129.db2.gz XWZVRJXNXHWIJV-GASCZTMLSA-N 2 0 328.416 -0.335 20 0 EBADRP C[C@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])C(C)(C)C[NH+](C)C ZINC000557292607 376170213 /nfs/dbraw/zinc/17/02/13/376170213.db2.gz WQABBQVEPHNCET-STQMWFEESA-N 2 0 327.473 -0.820 20 0 EBADRP O=S(=O)(N1CCOCC1)N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000557329671 376171938 /nfs/dbraw/zinc/17/19/38/376171938.db2.gz GVJORHQCFPADTG-OAHLLOKOSA-N 2 0 346.497 -0.429 20 0 EBADRP CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000261708729 376180433 /nfs/dbraw/zinc/18/04/33/376180433.db2.gz KXHHNGZAPJGDGA-NSHDSACASA-N 2 0 325.413 -0.896 20 0 EBADRP CN(C[C@H]1C[C@@H](O)C1)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000625465621 376232345 /nfs/dbraw/zinc/23/23/45/376232345.db2.gz JPQMRYOWUSSCMX-OKILXGFUSA-N 2 0 328.457 -0.833 20 0 EBADRP O=C(NCCCC[NH+]1CCOCC1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000564910690 376353620 /nfs/dbraw/zinc/35/36/20/376353620.db2.gz LANQSADLPKBQRJ-CQSZACIVSA-N 2 0 336.440 -0.128 20 0 EBADRP C[C@@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)C[NH+]1CCN(C)CC1 ZINC000564924768 376401096 /nfs/dbraw/zinc/40/10/96/376401096.db2.gz YFHVTOHFZBHIBM-GJZGRUSLSA-N 2 0 349.483 -0.357 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000642854641 376426415 /nfs/dbraw/zinc/42/64/15/376426415.db2.gz OBANYWKZWZPFTI-BPUTZDHNSA-N 2 0 348.447 -0.020 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000642887397 376454415 /nfs/dbraw/zinc/45/44/15/376454415.db2.gz QVHHJWJADJHFKV-REWJHTLYSA-N 2 0 338.452 -0.041 20 0 EBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627357332 376662506 /nfs/dbraw/zinc/66/25/06/376662506.db2.gz CUNHLCRBLJBCHX-HUUCEWRRSA-N 2 0 342.484 -0.096 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642904581 376683533 /nfs/dbraw/zinc/68/35/33/376683533.db2.gz ZLYMUJCPXSTJPG-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H]([NH3+])CNC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000642909939 376705014 /nfs/dbraw/zinc/70/50/14/376705014.db2.gz XQURBRWOYIIIRQ-KKUMJFAQSA-N 2 0 339.484 -0.533 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000246405711 376893681 /nfs/dbraw/zinc/89/36/81/376893681.db2.gz KFQBVLPAKRLWBP-LSDHHAIUSA-N 2 0 328.457 -0.027 20 0 EBADRP C[C@H](CNC(=O)NCC(=O)N1CC[NH2+]CC1)[NH+]1CCC(C)CC1 ZINC000562797171 376993146 /nfs/dbraw/zinc/99/31/46/376993146.db2.gz ZANAWTSMOXHXLL-CQSZACIVSA-N 2 0 325.457 -0.162 20 0 EBADRP [NH3+]CCCN(CC1CCCC1)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000562814060 376998285 /nfs/dbraw/zinc/99/82/85/376998285.db2.gz BTZKDGNUFAITAK-UHFFFAOYSA-N 2 0 325.457 -0.031 20 0 EBADRP O=C(CNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)N1CC[NH2+]CC1 ZINC000562814276 376998355 /nfs/dbraw/zinc/99/83/55/376998355.db2.gz OZLXDGSMMAOFRA-CABCVRRESA-N 2 0 337.468 -0.018 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000562958235 377061870 /nfs/dbraw/zinc/06/18/70/377061870.db2.gz MJFXKTGLJAKMEH-HNNXBMFYSA-N 3 0 341.500 -0.474 20 0 EBADRP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1=O ZINC000635933063 377141863 /nfs/dbraw/zinc/14/18/63/377141863.db2.gz DNXPIFYOHMBEPK-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CCN1CCN(C(=O)[C@@H](C)N2CCC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000364109042 377155280 /nfs/dbraw/zinc/15/52/80/377155280.db2.gz QVBKYZACQVXFIX-CHWSQXEVSA-N 2 0 332.470 -0.708 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)CC1 ZINC000569928051 377184955 /nfs/dbraw/zinc/18/49/55/377184955.db2.gz WHRJGKYGNVXSSO-BRWVUGGUSA-N 2 0 341.496 -0.106 20 0 EBADRP Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000570161125 377211276 /nfs/dbraw/zinc/21/12/76/377211276.db2.gz UFWBRBPXWNUCDY-LBPRGKRZSA-N 2 0 346.435 -0.065 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)NCC[NH+]2CC[C@H](O)C2)C[C@H](C)O1 ZINC000636518746 377543388 /nfs/dbraw/zinc/54/33/88/377543388.db2.gz BDRSEJYNVLKQCE-ZNMIVQPWSA-N 2 0 328.457 -0.149 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)CN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000364160657 377549982 /nfs/dbraw/zinc/54/99/82/377549982.db2.gz LLHQMZIEHNBJOY-QGZVFWFLSA-N 2 0 332.448 -0.010 20 0 EBADRP CCOC(=O)C1([C@@H](C)[NH2+]CC(=O)N2CCN(C)CC2)CC[NH2+]CC1 ZINC000591570680 377722019 /nfs/dbraw/zinc/72/20/19/377722019.db2.gz AGDIJZVQJJMLNK-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)C2)CC1 ZINC000593906108 377921020 /nfs/dbraw/zinc/92/10/20/377921020.db2.gz RGBHDFGSEKAUDU-BQFCYCMXSA-N 2 0 336.480 -0.151 20 0 EBADRP CC(C)C[N@H+](C)CCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595274734 377988096 /nfs/dbraw/zinc/98/80/96/377988096.db2.gz URQVIHUOKWBYDP-KBPBESRZSA-N 2 0 325.457 -0.082 20 0 EBADRP COC(=O)CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000595976835 378043358 /nfs/dbraw/zinc/04/33/58/378043358.db2.gz BBSWCXZJEYTDFD-CABCVRRESA-N 2 0 340.468 -0.106 20 0 EBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCOCC[NH2+]C)C2)CC1 ZINC000599934901 378285103 /nfs/dbraw/zinc/28/51/03/378285103.db2.gz GJALLBUEZIHLOU-OAHLLOKOSA-N 2 0 327.473 -0.356 20 0 EBADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000602524014 378361820 /nfs/dbraw/zinc/36/18/20/378361820.db2.gz JSJAAPSPRLMRMG-OAGGEKHMSA-N 2 0 345.447 -0.784 20 0 EBADRP C[N@H+](CCc1ccccc1)CC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000602528524 378362071 /nfs/dbraw/zinc/36/20/71/378362071.db2.gz RUNLWLULRUABEO-CVEARBPZSA-N 2 0 330.432 -0.069 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000636844630 378412979 /nfs/dbraw/zinc/41/29/79/378412979.db2.gz DEJWQRVGFQKXMA-HZPDHXFCSA-N 2 0 341.500 -0.374 20 0 EBADRP C[NH+](C)C1CCN(CCNC(=O)NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000636987970 378454038 /nfs/dbraw/zinc/45/40/38/378454038.db2.gz RNKUHXOBMLWCEV-HNNXBMFYSA-N 2 0 327.473 -0.622 20 0 EBADRP CNC(=O)CCCNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000604178733 378437544 /nfs/dbraw/zinc/43/75/44/378437544.db2.gz CRJNGRLDPCEKCY-CYBMUJFWSA-N 2 0 325.457 -0.020 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)NCC[NH+]2CC[C@H](O)C2)CCCO1 ZINC000637090945 378476341 /nfs/dbraw/zinc/47/63/41/378476341.db2.gz ZBQFGGJGNCLAGH-CABCVRRESA-N 2 0 328.457 -0.147 20 0 EBADRP CNC(=O)NC(=O)CC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000337651870 378672376 /nfs/dbraw/zinc/67/23/76/378672376.db2.gz BQLVVBQRJVCXHI-UHFFFAOYSA-N 2 0 327.429 -0.778 20 0 EBADRP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000337705334 378682240 /nfs/dbraw/zinc/68/22/40/378682240.db2.gz XHIFQNJUWHELJL-SJORKVTESA-N 2 0 336.480 -0.053 20 0 EBADRP CC[NH+](CC)CCNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000339575056 378947789 /nfs/dbraw/zinc/94/77/89/378947789.db2.gz DXDPMLVUOUYYPA-UHFFFAOYSA-N 2 0 341.500 -0.460 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000339634611 378962317 /nfs/dbraw/zinc/96/23/17/378962317.db2.gz DIOWHIXGTGAPLQ-OAHLLOKOSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000563536590 379042292 /nfs/dbraw/zinc/04/22/92/379042292.db2.gz BZGGZPZRRZGHFW-KKUMJFAQSA-N 2 0 340.468 -0.058 20 0 EBADRP CCO[C@@H]1COC[C@H]1[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000451943108 379075881 /nfs/dbraw/zinc/07/58/81/379075881.db2.gz HKRGGALNFNJWNK-BZUAXINKSA-N 2 0 343.468 -0.147 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000629789965 379135970 /nfs/dbraw/zinc/13/59/70/379135970.db2.gz ZPIALMNIWRFXBL-UHFFFAOYSA-N 2 0 340.468 -0.103 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C[C@H]1[NH3+] ZINC000629817804 379159889 /nfs/dbraw/zinc/15/98/89/379159889.db2.gz YCQCLPVUHJEDPH-ZIAGYGMSSA-N 2 0 338.452 -0.495 20 0 EBADRP CC[NH+]1CCC(CCNC(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000627295954 379140987 /nfs/dbraw/zinc/14/09/87/379140987.db2.gz RRUUKQPEXXZMCN-UHFFFAOYSA-N 2 0 328.457 -0.342 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000629800744 379144033 /nfs/dbraw/zinc/14/40/33/379144033.db2.gz AFBIYYGJRNDHFA-UHFFFAOYSA-N 2 0 328.457 -0.247 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000629802552 379146677 /nfs/dbraw/zinc/14/66/77/379146677.db2.gz JDRRRCZWUIJDSZ-CQSZACIVSA-N 2 0 328.457 -0.378 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000629803288 379148799 /nfs/dbraw/zinc/14/87/99/379148799.db2.gz MPQFVWFMFSIXTQ-UONOGXRCSA-N 2 0 326.441 -0.637 20 0 EBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000629806366 379150737 /nfs/dbraw/zinc/15/07/37/379150737.db2.gz WHWWAZPWXKGAFQ-AWEZNQCLSA-N 2 0 338.452 -0.351 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000629815462 379155256 /nfs/dbraw/zinc/15/52/56/379155256.db2.gz ALNNJPPYAVWOBG-QGZVFWFLSA-N 2 0 340.468 -0.375 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000627304333 379235639 /nfs/dbraw/zinc/23/56/39/379235639.db2.gz RAPFOVUNZBHSHZ-GDBMZVCRSA-N 2 0 348.447 -0.272 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000458447932 379223401 /nfs/dbraw/zinc/22/34/01/379223401.db2.gz XBPWZGXCGSYJBQ-CABCVRRESA-N 2 0 328.457 -0.147 20 0 EBADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627320091 379323129 /nfs/dbraw/zinc/32/31/29/379323129.db2.gz QBBFWTOEHCJHDT-UONOGXRCSA-N 2 0 326.441 -0.528 20 0 EBADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)CC(C)C ZINC000627324703 379330634 /nfs/dbraw/zinc/33/06/34/379330634.db2.gz KFSLNJFADCNWDA-LSDHHAIUSA-N 2 0 342.484 -0.036 20 0 EBADRP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)N1CC[NH+](C)CC1 ZINC000627325008 379333170 /nfs/dbraw/zinc/33/31/70/379333170.db2.gz VWTRHTINLIOMGN-RRFJBIMHSA-N 2 0 339.484 -0.759 20 0 EBADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627312325 379304297 /nfs/dbraw/zinc/30/42/97/379304297.db2.gz WICZWNNGFDQPFB-ZNMIVQPWSA-N 2 0 342.484 -0.049 20 0 EBADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000627314099 379312164 /nfs/dbraw/zinc/31/21/64/379312164.db2.gz UPZGDEQGKPKJQE-KFWWJZLASA-N 2 0 340.468 -0.282 20 0 EBADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000627314100 379313379 /nfs/dbraw/zinc/31/33/79/379313379.db2.gz UPZGDEQGKPKJQE-RBSFLKMASA-N 2 0 340.468 -0.282 20 0 EBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000269297649 379358960 /nfs/dbraw/zinc/35/89/60/379358960.db2.gz ORSLKOYNAYIXQQ-CVEARBPZSA-N 3 0 333.436 -0.567 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621845677 379368538 /nfs/dbraw/zinc/36/85/38/379368538.db2.gz NMYXWHXASVVQKQ-CZUORRHYSA-N 2 0 326.441 -0.589 20 0 EBADRP CCN1CCO[C@@H](C(=O)N2CC[C@@H](OCCN3CCOCC3)C2)C1 ZINC000479020083 379440486 /nfs/dbraw/zinc/44/04/86/379440486.db2.gz RCPSCUBTOZHLMO-HZPDHXFCSA-N 2 0 341.452 -0.343 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622028715 379399842 /nfs/dbraw/zinc/39/98/42/379399842.db2.gz VBNFFHAKAMWEQJ-CZUORRHYSA-N 2 0 326.441 -0.637 20 0 EBADRP Cn1cnc2c1c(=O)n(CCC[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)c(=O)n2C ZINC000641801189 379472025 /nfs/dbraw/zinc/47/20/25/379472025.db2.gz AYPLDQRYPBCKMS-GHMZBOCLSA-N 2 0 334.424 -0.461 20 0 EBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000154820795 379484281 /nfs/dbraw/zinc/48/42/81/379484281.db2.gz MTXQFUBLPHDBFD-INIZCTEOSA-N 3 0 342.532 -0.243 20 0 EBADRP CO[C@@H]1C[NH+](CCOCC[N@H+]2C[C@@H](OC)[C@@H](OC)C2)C[C@@H]1OC ZINC000488036759 379509352 /nfs/dbraw/zinc/50/93/52/379509352.db2.gz SQZFZCGNEGYIDJ-GEEKYZPCSA-N 2 0 332.441 -0.306 20 0 EBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000627398620 379583331 /nfs/dbraw/zinc/58/33/31/379583331.db2.gz QXKDDAGXJPKJGU-QLFBSQMISA-N 2 0 339.484 -0.757 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000627425354 379593664 /nfs/dbraw/zinc/59/36/64/379593664.db2.gz NANVOIRDMYMLKI-KBPBESRZSA-N 2 0 326.441 -0.399 20 0 EBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627429025 379594470 /nfs/dbraw/zinc/59/44/70/379594470.db2.gz VGFQEVXFHXXQBE-CQSZACIVSA-N 2 0 328.457 -0.343 20 0 EBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627428741 379595217 /nfs/dbraw/zinc/59/52/17/379595217.db2.gz NDKZKJQOBTVKSO-UONOGXRCSA-N 2 0 326.441 -0.672 20 0 EBADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627452410 379603585 /nfs/dbraw/zinc/60/35/85/379603585.db2.gz JYIRAGMBZBMELN-LBPRGKRZSA-N 2 0 326.441 -0.401 20 0 EBADRP C[C@@H](NC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[C@@H]1CN(C)CCO1 ZINC000627355448 379562755 /nfs/dbraw/zinc/56/27/55/379562755.db2.gz HEXBMZFDSYBOJX-GFOFROLCSA-N 2 0 338.452 -0.720 20 0 EBADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627357234 379563401 /nfs/dbraw/zinc/56/34/01/379563401.db2.gz AOBVCYHLNFVZRI-KFWWJZLASA-N 2 0 340.468 -0.425 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627367358 379567793 /nfs/dbraw/zinc/56/77/93/379567793.db2.gz RCOCZIFVXQQQLI-KBPBESRZSA-N 2 0 338.452 -0.386 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000627367260 379568892 /nfs/dbraw/zinc/56/88/92/379568892.db2.gz OKHNSUBJIFDPBR-CABCVRRESA-N 2 0 340.468 -0.330 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000627377248 379571812 /nfs/dbraw/zinc/57/18/12/379571812.db2.gz CQQDSCARPIYHDN-UHFFFAOYSA-N 2 0 336.436 -0.202 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000627377661 379573780 /nfs/dbraw/zinc/57/37/80/379573780.db2.gz PMYXYVVOGXKOSG-UHFFFAOYSA-N 2 0 326.441 -0.541 20 0 EBADRP C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C[NH2+]1 ZINC000627483779 379631434 /nfs/dbraw/zinc/63/14/34/379631434.db2.gz LBCGHIRMEBZORP-CABCVRRESA-N 2 0 339.484 -0.661 20 0 EBADRP CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627507218 379648157 /nfs/dbraw/zinc/64/81/57/379648157.db2.gz HLSUUUUUUASYOS-CYBMUJFWSA-N 2 0 326.441 -0.719 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000627456703 379607411 /nfs/dbraw/zinc/60/74/11/379607411.db2.gz VUAJIYYXPHJUNQ-QLFBSQMISA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000627461030 379610291 /nfs/dbraw/zinc/61/02/91/379610291.db2.gz CGPLVZXBELWAEN-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000627461674 379610630 /nfs/dbraw/zinc/61/06/30/379610630.db2.gz WROVFXSEBBIDEB-HNNXBMFYSA-N 2 0 340.468 -0.185 20 0 EBADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)NCCOCC[NH2+]C)CC1 ZINC000627464387 379615261 /nfs/dbraw/zinc/61/52/61/379615261.db2.gz ZJUSJVZVRIXGGT-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP C[C@H](CNC(=O)[C@@H]1CC[C@@H](C(=O)NC[C@@H](C)[NH+](C)C)O1)[NH+](C)C ZINC000495014168 379700109 /nfs/dbraw/zinc/70/01/09/379700109.db2.gz BVWBNCJDWGTBBD-MQYQWHSLSA-N 2 0 328.457 -0.333 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC1CN(c2ccncn2)C1 ZINC000637714837 379680774 /nfs/dbraw/zinc/68/07/74/379680774.db2.gz PETPABMFWACVLW-UHFFFAOYSA-N 2 0 335.456 -0.200 20 0 EBADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631945373 379789240 /nfs/dbraw/zinc/78/92/40/379789240.db2.gz WZKITMLUWJUFPX-RBSFLKMASA-N 2 0 347.481 -0.477 20 0 EBADRP C[NH2+]CCOCCN(C)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000631954291 379791968 /nfs/dbraw/zinc/79/19/68/379791968.db2.gz HEMRVTCAUIDGQX-UHFFFAOYSA-N 2 0 336.502 -0.879 20 0 EBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H]3COCC[NH2+]3)C2)CC1 ZINC000626978731 379770671 /nfs/dbraw/zinc/77/06/71/379770671.db2.gz JWBCRAVHRVVIRN-KGLIPLIRSA-N 2 0 325.457 -0.558 20 0 EBADRP O=C(NCC1([NH+]2CCSCC2)CCCCC1)C(=O)NC1C[NH2+]C1 ZINC000642344760 379829253 /nfs/dbraw/zinc/82/92/53/379829253.db2.gz IYLDQVAFSKTXHZ-UHFFFAOYSA-N 2 0 340.493 -0.058 20 0 EBADRP C[N@H+]1C[C@H]2[C@@H](CCN2S(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000632360219 379854052 /nfs/dbraw/zinc/85/40/52/379854052.db2.gz SZAKEZMYFMICFB-GJZGRUSLSA-N 2 0 330.498 -0.410 20 0 EBADRP C[N@@H+]1C[C@H]2CCN(S(=O)(=O)CCCN3CC[NH+](C)CC3)[C@H]2C1 ZINC000632360218 379854562 /nfs/dbraw/zinc/85/45/62/379854562.db2.gz SZAKEZMYFMICFB-CABCVRRESA-N 2 0 330.498 -0.410 20 0 EBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000276812405 379862064 /nfs/dbraw/zinc/86/20/64/379862064.db2.gz DTNQZSWTJGNNFK-UKRRQHHQSA-N 2 0 348.451 -0.123 20 0 EBADRP CN(C(=O)NC[C@H]1COCC[NH2+]1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000627190185 379827937 /nfs/dbraw/zinc/82/79/37/379827937.db2.gz YCUKNGHDBUFCBI-GOEBONIOSA-N 2 0 339.484 -0.215 20 0 EBADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000633556916 379962860 /nfs/dbraw/zinc/96/28/60/379962860.db2.gz XTJXSAWQDLBAJN-ZDUSSCGKSA-N 2 0 336.440 -0.363 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000633116080 379943753 /nfs/dbraw/zinc/94/37/53/379943753.db2.gz ORWYVCPBSHZXIW-HIFRSBDPSA-N 2 0 338.452 -0.495 20 0 EBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000633119135 379945757 /nfs/dbraw/zinc/94/57/57/379945757.db2.gz ORYIMHDYEVUAEQ-KKUMJFAQSA-N 2 0 338.452 -0.495 20 0 EBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000633143511 379948809 /nfs/dbraw/zinc/94/88/09/379948809.db2.gz MJNYSEGXYXHMRM-STQMWFEESA-N 2 0 326.441 -0.760 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](CO)C[NH+](C)C)CC1=O ZINC000614855303 379998401 /nfs/dbraw/zinc/99/84/01/379998401.db2.gz XAXVKNSBYUQCGN-SOUVJXGZSA-N 2 0 340.468 -0.642 20 0 EBADRP CCc1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n(C)n1 ZINC000130601257 380062240 /nfs/dbraw/zinc/06/22/40/380062240.db2.gz YXJQQHUJRPUSEN-UHFFFAOYSA-N 2 0 338.456 -0.127 20 0 EBADRP CO[C@@H](C[NH3+])C(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000353460129 380072886 /nfs/dbraw/zinc/07/28/86/380072886.db2.gz NVFZYWQYEWXFRO-CABCVRRESA-N 2 0 328.457 -0.787 20 0 EBADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@]2(C)C[NH2+]CCO2)cc1 ZINC000638106909 380146590 /nfs/dbraw/zinc/14/65/90/380146590.db2.gz FQKMTFDOTMJVMR-GOSISDBHSA-N 2 0 348.447 -0.027 20 0 EBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000545885353 380097960 /nfs/dbraw/zinc/09/79/60/380097960.db2.gz KSTOXIZMTLIOPA-QGZVFWFLSA-N 2 0 340.468 -0.003 20 0 EBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000545879423 380100724 /nfs/dbraw/zinc/10/07/24/380100724.db2.gz ICCBZMHZBWMREV-MSOLQXFVSA-N 2 0 333.432 -0.194 20 0 EBADRP CNC(=O)N[C@@H]1CC[NH+](CCCC[N@H+]2CC[C@@H](NC(=O)NC)C2)C1 ZINC000546638367 380116736 /nfs/dbraw/zinc/11/67/36/380116736.db2.gz OMBMXLPAZDUGHJ-ZIAGYGMSSA-N 2 0 340.472 -0.227 20 0 EBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000638097555 380130620 /nfs/dbraw/zinc/13/06/20/380130620.db2.gz FYOIFUHKPHCHIZ-RHSMWYFYSA-N 2 0 338.452 -0.480 20 0 EBADRP [NH3+]C[C@]1(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCCOC1 ZINC000638099275 380132426 /nfs/dbraw/zinc/13/24/26/380132426.db2.gz RPSLPTYYZMYWJK-QGZVFWFLSA-N 2 0 338.452 -0.492 20 0 EBADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000638114302 380161696 /nfs/dbraw/zinc/16/16/96/380161696.db2.gz YMJSMFQLIQMFCW-RHSMWYFYSA-N 2 0 340.468 -0.188 20 0 EBADRP [NH3+]C[C@]1(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CCCOC1 ZINC000638116494 380164968 /nfs/dbraw/zinc/16/49/68/380164968.db2.gz DOUGFBXVYPUBSH-NVXWUHKLSA-N 2 0 340.468 -0.735 20 0 EBADRP C[C@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000551485038 380266123 /nfs/dbraw/zinc/26/61/23/380266123.db2.gz KGVPCIBYAZPHEK-OAHLLOKOSA-N 2 0 341.500 -0.604 20 0 EBADRP C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCc1nccn1C ZINC000286833400 380323049 /nfs/dbraw/zinc/32/30/49/380323049.db2.gz ZHLCVPOVKNOKNU-LBPRGKRZSA-N 2 0 337.424 -0.660 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCN(c2ccccn2)CC1 ZINC000285946654 380273550 /nfs/dbraw/zinc/27/35/50/380273550.db2.gz MFZHZNHPMKYEGY-UHFFFAOYSA-N 2 0 349.435 -0.575 20 0 EBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000638220571 380292058 /nfs/dbraw/zinc/29/20/58/380292058.db2.gz RPJOXOJGNWJPTL-DMDPSCGWSA-N 2 0 338.374 -0.294 20 0 EBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000340250953 380345886 /nfs/dbraw/zinc/34/58/86/380345886.db2.gz QMIUQRIMVPVOAQ-INIZCTEOSA-N 2 0 329.489 -0.376 20 0 EBADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)C1(C)C ZINC000565538421 380424119 /nfs/dbraw/zinc/42/41/19/380424119.db2.gz SRWXIXVPIKXAKO-MEBBXXQBSA-N 2 0 337.428 -0.315 20 0 EBADRP CN1CCN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)[C@H](C[NH3+])C1 ZINC000566058806 380443546 /nfs/dbraw/zinc/44/35/46/380443546.db2.gz WUIXQTNAEXGAOW-CQSZACIVSA-N 2 0 325.457 -0.922 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000566236681 380456116 /nfs/dbraw/zinc/45/61/16/380456116.db2.gz IMZHVHPYJRRFOV-MRXNPFEDSA-N 2 0 348.447 -0.235 20 0 EBADRP CC[NH+]1CCN([C@@H](C)CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000362563636 380411972 /nfs/dbraw/zinc/41/19/72/380411972.db2.gz AXOJSFGEUSUOBJ-LSDHHAIUSA-N 2 0 349.483 -0.042 20 0 EBADRP CC[NH+]1CCN(CCCNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000362565444 380412038 /nfs/dbraw/zinc/41/20/38/380412038.db2.gz UHVXZRVNDAEPRQ-HNNXBMFYSA-N 2 0 349.483 -0.040 20 0 EBADRP COC[C@]1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCCC[NH2+]1 ZINC000638496977 380488547 /nfs/dbraw/zinc/48/85/47/380488547.db2.gz XODWYFPXPLMNCD-BBRMVZONSA-N 2 0 326.441 -0.399 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCOCC[NH2+]C)CC1=O ZINC000638578852 380519717 /nfs/dbraw/zinc/51/97/17/380519717.db2.gz SBTZGCZOQNWIDY-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000567385440 380515713 /nfs/dbraw/zinc/51/57/13/380515713.db2.gz COHDATOKPCZBJA-STQMWFEESA-N 2 0 328.457 -0.202 20 0 EBADRP Cn1nccc1N1CCC[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000566556983 380479894 /nfs/dbraw/zinc/47/98/94/380479894.db2.gz WEGMEJICLOUKBC-JKSUJKDBSA-N 2 0 336.484 -0.413 20 0 EBADRP O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638481355 380482527 /nfs/dbraw/zinc/48/25/27/380482527.db2.gz GYPWECSKRBPMHH-WMLDXEAASA-N 2 0 335.452 -0.455 20 0 EBADRP CN1CCN(C(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)[C@@H](C[NH3+])C1 ZINC000567604249 380530370 /nfs/dbraw/zinc/53/03/70/380530370.db2.gz CYPHQOHKSASMBU-HNNXBMFYSA-N 2 0 339.484 -0.722 20 0 EBADRP COC1(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCC1 ZINC000567650459 380533249 /nfs/dbraw/zinc/53/32/49/380533249.db2.gz FBVJGULVWUDXDN-UHFFFAOYSA-N 2 0 328.457 -0.377 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000340569588 380548265 /nfs/dbraw/zinc/54/82/65/380548265.db2.gz CEUWBRWUGQUSQD-DZGCQCFKSA-N 2 0 340.468 -0.330 20 0 EBADRP COCC1(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC[NH2+]CC1 ZINC000567834308 380549113 /nfs/dbraw/zinc/54/91/13/380549113.db2.gz KSYQKKCCADZNMS-CYBMUJFWSA-N 2 0 326.441 -0.684 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCOCCC[NH3+])CC1=O ZINC000638660690 380565669 /nfs/dbraw/zinc/56/56/69/380565669.db2.gz IBNLZDWVEFJAMJ-GJZGRUSLSA-N 2 0 340.468 -0.199 20 0 EBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000568167309 380579223 /nfs/dbraw/zinc/57/92/23/380579223.db2.gz FVHHXQKWHWUTSA-SQNIBIBYSA-N 2 0 342.528 -0.117 20 0 EBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000569240899 380635224 /nfs/dbraw/zinc/63/52/24/380635224.db2.gz XTYQPQLINBMLBB-HUUCEWRRSA-N 2 0 329.489 -0.199 20 0 EBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000569283178 380637345 /nfs/dbraw/zinc/63/73/45/380637345.db2.gz BRWGULHJCNUZED-GOSISDBHSA-N 2 0 347.463 -0.224 20 0 EBADRP C[C@@H](NS(C)(=O)=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000340725714 380612363 /nfs/dbraw/zinc/61/23/63/380612363.db2.gz KHSJADILFZUZIF-CYBMUJFWSA-N 2 0 336.502 -0.344 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000340793387 380625802 /nfs/dbraw/zinc/62/58/02/380625802.db2.gz GZQAGZYMTVBLLF-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)C[C@H]2COCC[NH2+]2)c1 ZINC000569103788 380629400 /nfs/dbraw/zinc/62/94/00/380629400.db2.gz UUJUWPDEHUNOEU-LBPRGKRZSA-N 2 0 342.421 -0.759 20 0 EBADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@]1(CC(=O)NC[C@@H]([NH3+])C(C)C)CC[NH2+]C1 ZINC000573207903 380663394 /nfs/dbraw/zinc/66/33/94/380663394.db2.gz ROWXMCHESDXWIH-JKIFEVAISA-N 3 0 341.500 -0.445 20 0 EBADRP C[C@H]1CC[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)O1 ZINC000573234665 380665353 /nfs/dbraw/zinc/66/53/53/380665353.db2.gz DUHNFVMMZQSGRL-KBPBESRZSA-N 2 0 328.457 -0.378 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000341112956 380668708 /nfs/dbraw/zinc/66/87/08/380668708.db2.gz ANYJMVGHVAGOLD-HZPDHXFCSA-N 2 0 341.500 -0.016 20 0 EBADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CCNC[C@H]1c1cccnc1 ZINC000573801035 380686401 /nfs/dbraw/zinc/68/64/01/380686401.db2.gz NUOAQLDMCGNZHP-GJZGRUSLSA-N 2 0 331.420 -0.187 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000574278765 380706958 /nfs/dbraw/zinc/70/69/58/380706958.db2.gz DDYCFNBNQLRXJQ-BPUTZDHNSA-N 2 0 340.468 -0.169 20 0 EBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000574324316 380708539 /nfs/dbraw/zinc/70/85/39/380708539.db2.gz XGUIWFCSEFJKHX-KGLIPLIRSA-N 2 0 327.473 -0.676 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](CO)C1 ZINC000576325353 380766458 /nfs/dbraw/zinc/76/64/58/380766458.db2.gz JKIZRQANWYUGCH-AWEZNQCLSA-N 2 0 328.457 -0.831 20 0 EBADRP COCC[N@H+](C)CCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000175719868 380768669 /nfs/dbraw/zinc/76/86/69/380768669.db2.gz DXAYBQLNUGJVLR-UHFFFAOYSA-N 2 0 329.489 -0.110 20 0 EBADRP CC(C)[C@@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000575920029 380751079 /nfs/dbraw/zinc/75/10/79/380751079.db2.gz HUWDBROXITYQLG-LSDHHAIUSA-N 2 0 339.484 -0.757 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000575984458 380752657 /nfs/dbraw/zinc/75/26/57/380752657.db2.gz VLEUSCCMPQCUGD-KGLIPLIRSA-N 2 0 336.440 -0.129 20 0 EBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000627409431 380773652 /nfs/dbraw/zinc/77/36/52/380773652.db2.gz CINYBPUPFDKOPQ-CQSZACIVSA-N 2 0 340.468 -0.199 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)CNC(=O)C[NH3+])CC1 ZINC000125216326 380825551 /nfs/dbraw/zinc/82/55/51/380825551.db2.gz AOHDAOVZCCXWJR-KBPBESRZSA-N 2 0 325.457 -0.922 20 0 EBADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000418288043 380770467 /nfs/dbraw/zinc/77/04/67/380770467.db2.gz ALWMRGFBYXFVDE-HUUCEWRRSA-N 2 0 327.473 -0.622 20 0 EBADRP CC[NH+](C)C[C@H](O)CN1CCN(C[C@H](O)C[N@@H+](C)CC)C[C@@H](C)C1 ZINC000578024197 380876674 /nfs/dbraw/zinc/87/66/74/380876674.db2.gz QJDXBFGBXVEUOM-NNZMDNLPSA-N 2 0 344.544 -0.135 20 0 EBADRP O=C(NCCCN1CC[NH2+]CC1)NC[C@H]1CCCC[N@H+]1CCO ZINC000418291301 380829537 /nfs/dbraw/zinc/82/95/37/380829537.db2.gz VQAAPTMVMIPAFF-OAHLLOKOSA-N 2 0 327.473 -0.572 20 0 EBADRP CC(C)CN1CCO[C@@H](C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000577841431 380844720 /nfs/dbraw/zinc/84/47/20/380844720.db2.gz NGCSWOFRSOXDOK-IRXDYDNUSA-N 3 0 328.501 -0.459 20 0 EBADRP CN(C)S(=O)(=O)CCC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638983466 380850253 /nfs/dbraw/zinc/85/02/53/380850253.db2.gz AJYBPPCBUOYFPA-UHFFFAOYSA-N 2 0 341.437 -0.289 20 0 EBADRP CS[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000563794279 380951957 /nfs/dbraw/zinc/95/19/57/380951957.db2.gz OBTSCDGKDFDLEJ-ZDUSSCGKSA-N 2 0 330.498 -0.098 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CCO1 ZINC000578878160 380958364 /nfs/dbraw/zinc/95/83/64/380958364.db2.gz MLNKWUHTEHQIHV-HUUCEWRRSA-N 2 0 338.452 -0.351 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000578988503 380963259 /nfs/dbraw/zinc/96/32/59/380963259.db2.gz NCZGRANJQBTTBK-MJBXVCDLSA-N 2 0 340.468 -0.060 20 0 EBADRP C[C@@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)C(=O)NCC[NH+]1CCCCC1 ZINC000579107687 380970168 /nfs/dbraw/zinc/97/01/68/380970168.db2.gz SXPBPJCSBBZAQQ-CABCVRRESA-N 2 0 340.468 -0.138 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@@H]1CCO ZINC000579175740 380974634 /nfs/dbraw/zinc/97/46/34/380974634.db2.gz ZDHOXXGUJJUTKE-HUUCEWRRSA-N 2 0 342.484 -0.395 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@H]1CCO ZINC000579175741 380975365 /nfs/dbraw/zinc/97/53/65/380975365.db2.gz ZDHOXXGUJJUTKE-LSDHHAIUSA-N 2 0 342.484 -0.395 20 0 EBADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1[nH]nc2c1C[NH2+]CC2 ZINC000376757280 380932867 /nfs/dbraw/zinc/93/28/67/380932867.db2.gz HEZTZOXFTTXAJY-LLVKDONJSA-N 2 0 346.357 -0.379 20 0 EBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000579353990 380984068 /nfs/dbraw/zinc/98/40/68/380984068.db2.gz NSGMDSMLQYPXAA-ZIAGYGMSSA-N 3 0 341.500 -0.287 20 0 EBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3ccc4c(c3)CC[NH2+]CC4)CCN2C1=O ZINC000578670126 380945407 /nfs/dbraw/zinc/94/54/07/380945407.db2.gz ZFJJJMMDQWFADE-HZPDHXFCSA-N 2 0 328.416 -0.241 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)N2CCN(C)C[C@@H]2C[NH3+])C[C@@H](C)O1 ZINC000581000875 381048454 /nfs/dbraw/zinc/04/84/54/381048454.db2.gz VVKLGYPTQVLKIB-KFWWJZLASA-N 2 0 327.473 -0.230 20 0 EBADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000580884181 381041077 /nfs/dbraw/zinc/04/10/77/381041077.db2.gz FHRUTXMWALCTCF-ILXRZTDVSA-N 2 0 338.452 -0.434 20 0 EBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000642439535 381094029 /nfs/dbraw/zinc/09/40/29/381094029.db2.gz LADPABPFGZUFNP-KGLIPLIRSA-N 2 0 326.441 -0.447 20 0 EBADRP C[NH2+]C[C@H](C)CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000418385221 381120146 /nfs/dbraw/zinc/12/01/46/381120146.db2.gz KFVHLWLOZWECQF-AWEZNQCLSA-N 2 0 325.457 -0.209 20 0 EBADRP COC(=O)C1CC[NH+](CCCNC(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000581427509 381075587 /nfs/dbraw/zinc/07/55/87/381075587.db2.gz VSLZNKLQHRUWIJ-CQSZACIVSA-N 2 0 327.425 -0.244 20 0 EBADRP COC[C@](C)(CO)[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000639953440 381156812 /nfs/dbraw/zinc/15/68/12/381156812.db2.gz XEHQTFAERGPDMM-HOCLYGCPSA-N 2 0 331.457 -0.554 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000418393756 381123932 /nfs/dbraw/zinc/12/39/32/381123932.db2.gz YKEALYCHKWNQHJ-KGLIPLIRSA-N 2 0 325.457 -0.082 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC[C@@H]1[NH3+] ZINC000583746991 381132523 /nfs/dbraw/zinc/13/25/23/381132523.db2.gz JRRJSQRPQFYMPG-KGLIPLIRSA-N 3 0 327.473 -0.866 20 0 EBADRP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)NC[C@@H]1C[NH2+]CCO1 ZINC000418763065 381263770 /nfs/dbraw/zinc/26/37/70/381263770.db2.gz JIRNRMQVUQVMLV-SJORKVTESA-N 2 0 348.447 -0.307 20 0 EBADRP O=C(CNC(=O)NC[C@@H]1C[NH2+]CCO1)NCC[NH+]1CCCCCC1 ZINC000418765003 381264059 /nfs/dbraw/zinc/26/40/59/381264059.db2.gz LELJBNZPFFPDPV-AWEZNQCLSA-N 2 0 341.456 -0.734 20 0 EBADRP C[C@H](C[NH3+])NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000418525434 381247302 /nfs/dbraw/zinc/24/73/02/381247302.db2.gz OKARFHNMSKHBID-HIFRSBDPSA-N 2 0 335.452 -0.078 20 0 EBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000633149960 381293244 /nfs/dbraw/zinc/29/32/44/381293244.db2.gz XYHYAKJOLAFTFR-ZIAGYGMSSA-N 2 0 325.457 -0.970 20 0 EBADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000643478808 381328658 /nfs/dbraw/zinc/32/86/58/381328658.db2.gz HOLZYQZZNSKIMO-AWEZNQCLSA-N 2 0 331.420 -0.059 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CCCCCC1 ZINC000418897021 381335195 /nfs/dbraw/zinc/33/51/95/381335195.db2.gz GSRBVLGLTURGIW-CQSZACIVSA-N 2 0 340.468 -0.138 20 0 EBADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000347972000 381314489 /nfs/dbraw/zinc/31/44/89/381314489.db2.gz RTVUAVAIZJLMOR-HUUCEWRRSA-N 2 0 339.484 -0.804 20 0 EBADRP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000347974892 381314739 /nfs/dbraw/zinc/31/47/39/381314739.db2.gz WDFCDHDKJZCZMH-AWEZNQCLSA-N 2 0 327.473 -0.804 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000418907785 381344710 /nfs/dbraw/zinc/34/47/10/381344710.db2.gz MGSYATFXJVFMGP-JKSUJKDBSA-N 2 0 348.447 -0.100 20 0 EBADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000418916226 381346256 /nfs/dbraw/zinc/34/62/56/381346256.db2.gz GZJWSEWEVUNQGI-ZIAGYGMSSA-N 2 0 326.441 -0.720 20 0 EBADRP CCC[NH2+]CCNC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000418913398 381347643 /nfs/dbraw/zinc/34/76/43/381347643.db2.gz DSSLFYFJVNNIRV-AWEZNQCLSA-N 2 0 328.457 -0.425 20 0 EBADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000419028049 381355185 /nfs/dbraw/zinc/35/51/85/381355185.db2.gz PTILXXJGEKKOHI-KGLIPLIRSA-N 2 0 340.468 -0.282 20 0 EBADRP [NH3+]CCN(CCO)C(=O)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000419020587 381355719 /nfs/dbraw/zinc/35/57/19/381355719.db2.gz SFQQBCRTEJVJHK-UHFFFAOYSA-N 2 0 348.447 -0.322 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419028028 381355834 /nfs/dbraw/zinc/35/58/34/381355834.db2.gz PRKYDZAYNWXUSR-ZNMIVQPWSA-N 2 0 342.484 -0.179 20 0 EBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419083945 381364182 /nfs/dbraw/zinc/36/41/82/381364182.db2.gz XTIXPMMNUAEKMB-GJZGRUSLSA-N 2 0 340.468 -0.138 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])C1 ZINC000418910009 381343119 /nfs/dbraw/zinc/34/31/19/381343119.db2.gz AVZBSHZZFVWATF-CQSZACIVSA-N 2 0 342.484 -0.097 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@@H](C)C[NH2+]1 ZINC000419187806 381403858 /nfs/dbraw/zinc/40/38/58/381403858.db2.gz RNPYFFXCDDUWIK-KBPBESRZSA-N 2 0 339.484 -0.663 20 0 EBADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419125718 381385971 /nfs/dbraw/zinc/38/59/71/381385971.db2.gz UQTZVYXXPXZBFZ-KGLIPLIRSA-N 2 0 326.441 -0.528 20 0 EBADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)CC(C)C ZINC000419128002 381388459 /nfs/dbraw/zinc/38/84/59/381388459.db2.gz UNFAPLLLSBMHRV-LSDHHAIUSA-N 2 0 342.484 -0.036 20 0 EBADRP C[NH+](C)CC[C@H](NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)C(C)(C)C ZINC000419140822 381395666 /nfs/dbraw/zinc/39/56/66/381395666.db2.gz WEJKQKKRASLGJW-KGLIPLIRSA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[NH+]1CCC(C)CC1 ZINC000419145990 381397380 /nfs/dbraw/zinc/39/73/80/381397380.db2.gz HCEYUCKGKUHRNS-HUUCEWRRSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000419196441 381398013 /nfs/dbraw/zinc/39/80/13/381398013.db2.gz AZLXRBLGKNVVDC-AWEZNQCLSA-N 2 0 334.420 -0.197 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000348763497 381400696 /nfs/dbraw/zinc/40/06/96/381400696.db2.gz NNCCONJHLNTHPU-AWEZNQCLSA-N 2 0 340.468 -0.210 20 0 EBADRP CO[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000419412654 381429439 /nfs/dbraw/zinc/42/94/39/381429439.db2.gz RCXFQHKYWJNFJX-SOUVJXGZSA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)c1ccc(F)cc1 ZINC000419416057 381430351 /nfs/dbraw/zinc/43/03/51/381430351.db2.gz VTNQUDZJBMTCNX-AWEZNQCLSA-N 2 0 340.399 -0.676 20 0 EBADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000419488050 381445202 /nfs/dbraw/zinc/44/52/02/381445202.db2.gz ZVUNUZTVOXUBRK-GJZGRUSLSA-N 2 0 342.484 -0.360 20 0 EBADRP O=C(NCCCC[NH+]1CCOCC1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000419473315 381445722 /nfs/dbraw/zinc/44/57/22/381445722.db2.gz AEXGTEKBWDLYSF-GASCZTMLSA-N 2 0 338.452 -0.432 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419537416 381451178 /nfs/dbraw/zinc/45/11/78/381451178.db2.gz NNAZDSJVYNFTMG-QLFBSQMISA-N 2 0 338.452 -0.719 20 0 EBADRP CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000419527689 381447845 /nfs/dbraw/zinc/44/78/45/381447845.db2.gz BKCDUKPIZXKAJR-CYBMUJFWSA-N 2 0 328.457 -0.153 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000419533786 381448965 /nfs/dbraw/zinc/44/89/65/381448965.db2.gz JBJNVDQSJWVKOF-UONOGXRCSA-N 2 0 328.457 -0.297 20 0 EBADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419692464 381473062 /nfs/dbraw/zinc/47/30/62/381473062.db2.gz GRTIWEXIIMAUDV-GJZGRUSLSA-N 2 0 340.468 -0.201 20 0 EBADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419699062 381475295 /nfs/dbraw/zinc/47/52/95/381475295.db2.gz QQQQDAJYHKQLKV-HUUCEWRRSA-N 2 0 340.468 -0.282 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)C1CCCC1 ZINC000419698199 381475732 /nfs/dbraw/zinc/47/57/32/381475732.db2.gz SGIHMOXAFNBVAH-AWEZNQCLSA-N 2 0 326.441 -0.447 20 0 EBADRP CCCN(C(=O)C(=O)NC[C@H]1CCC[N@@H+]1CCOC)[C@@H]1CC[NH2+]C1 ZINC000419552210 381452425 /nfs/dbraw/zinc/45/24/25/381452425.db2.gz YKYWRQGKDDGVDR-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419551804 381452507 /nfs/dbraw/zinc/45/25/07/381452507.db2.gz XVKMTEXHRRNTJI-RHSMWYFYSA-N 2 0 338.452 -0.575 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000419548267 381453536 /nfs/dbraw/zinc/45/35/36/381453536.db2.gz SRGXJLPKJAKNSL-ZNMIVQPWSA-N 2 0 340.468 -0.153 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419595371 381462259 /nfs/dbraw/zinc/46/22/59/381462259.db2.gz WIYMMNWSLFLOAT-ZIAGYGMSSA-N 2 0 326.441 -0.528 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000419672935 381468671 /nfs/dbraw/zinc/46/86/71/381468671.db2.gz GVOIJRNOWXZBPZ-UONOGXRCSA-N 2 0 328.457 -0.201 20 0 EBADRP C[C@H](NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C)C1=CC[N@H+](C)CC1 ZINC000419633695 381470548 /nfs/dbraw/zinc/47/05/48/381470548.db2.gz ZJDJIBQYUXOFAQ-OUCADQQQSA-N 2 0 338.452 -0.018 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419842022 381503959 /nfs/dbraw/zinc/50/39/59/381503959.db2.gz LCCJSOREBLBHHB-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419842020 381504809 /nfs/dbraw/zinc/50/48/09/381504809.db2.gz LCCJSOREBLBHHB-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C[C@@H](C)O1 ZINC000419862206 381510154 /nfs/dbraw/zinc/51/01/54/381510154.db2.gz MVYXQFDNVQCNIV-BZPMIXESSA-N 2 0 326.441 -0.545 20 0 EBADRP C[NH2+]CCNC(=O)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419862386 381510571 /nfs/dbraw/zinc/51/05/71/381510571.db2.gz BJHCCZPQRTXERY-ZIAGYGMSSA-N 2 0 340.468 -0.330 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419895456 381519077 /nfs/dbraw/zinc/51/90/77/381519077.db2.gz XFQLEULNEHMYEX-LBPRGKRZSA-N 2 0 333.392 -0.783 20 0 EBADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419735430 381491814 /nfs/dbraw/zinc/49/18/14/381491814.db2.gz QLACZNDWFZKYQH-CABCVRRESA-N 2 0 338.452 -0.386 20 0 EBADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000419785603 381495279 /nfs/dbraw/zinc/49/52/79/381495279.db2.gz SPJUOOXVLMJTNP-HZSPNIEDSA-N 2 0 328.457 -0.202 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)NCCC[NH3+])CC1 ZINC000419827710 381499990 /nfs/dbraw/zinc/49/99/90/381499990.db2.gz BPXDUWHOSONSOL-HUUCEWRRSA-N 2 0 339.484 -0.532 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000420095404 381538364 /nfs/dbraw/zinc/53/83/64/381538364.db2.gz SKWOSTTWJWFPQC-AWEZNQCLSA-N 2 0 340.468 -0.057 20 0 EBADRP C[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000420145410 381544872 /nfs/dbraw/zinc/54/48/72/381544872.db2.gz OVSYZRYWXUVYSI-ZIAGYGMSSA-N 2 0 339.484 -0.663 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC2)c1 ZINC000419998910 381527415 /nfs/dbraw/zinc/52/74/15/381527415.db2.gz NREVTTCQGUZRCT-AWEZNQCLSA-N 2 0 349.435 -0.162 20 0 EBADRP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000420300025 381578899 /nfs/dbraw/zinc/57/88/99/381578899.db2.gz CBIPENWQEYSURE-WRWGMCAJSA-N 2 0 349.435 -0.703 20 0 EBADRP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000420300022 381579924 /nfs/dbraw/zinc/57/99/24/381579924.db2.gz CBIPENWQEYSURE-RHYQMDGZSA-N 2 0 349.435 -0.703 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)C[NH+]1CCCCC1 ZINC000420183207 381563555 /nfs/dbraw/zinc/56/35/55/381563555.db2.gz GIDDRHWPFAYDQD-CABCVRRESA-N 2 0 340.468 -0.281 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)C[NH+]1CCCCC1 ZINC000420183209 381564098 /nfs/dbraw/zinc/56/40/98/381564098.db2.gz GIDDRHWPFAYDQD-HUUCEWRRSA-N 2 0 340.468 -0.281 20 0 EBADRP C[C@@H]1CC[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1C[NH3+] ZINC000420402260 381584902 /nfs/dbraw/zinc/58/49/02/381584902.db2.gz JXVQWJQTEOFMHF-VXGBXAGGSA-N 2 0 334.424 -0.650 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000571744968 381617909 /nfs/dbraw/zinc/61/79/09/381617909.db2.gz BEMQGNSGVMDKKV-HOTGVXAUSA-N 2 0 339.484 -0.214 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C2(OC)CC[NH2+]CC2)CC1 ZINC000167406341 381624649 /nfs/dbraw/zinc/62/46/49/381624649.db2.gz BDTGKVQMQIFSDE-UHFFFAOYSA-N 2 0 340.468 -0.232 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351524096 381636604 /nfs/dbraw/zinc/63/66/04/381636604.db2.gz PWTBXCNLLPZMME-ZIAGYGMSSA-N 2 0 326.441 -0.672 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000572037884 381637296 /nfs/dbraw/zinc/63/72/96/381637296.db2.gz ABRWMCKUWVGUHG-HZPDHXFCSA-N 2 0 341.427 -0.237 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351527357 381637799 /nfs/dbraw/zinc/63/77/99/381637799.db2.gz ZUOAPUJCXJFLOO-LSDHHAIUSA-N 2 0 339.484 -0.756 20 0 EBADRP CCOCC[N@@H+]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C[C@H]1CC ZINC000351555107 381643501 /nfs/dbraw/zinc/64/35/01/381643501.db2.gz KLTKURLGMZJPPL-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[NH+]1CCC(NC(=O)Cn2cnc3c(c2=O)CC[NH2+]CC3)CC1 ZINC000572281804 381659260 /nfs/dbraw/zinc/65/92/60/381659260.db2.gz UCOSZDLRLBGBMD-UHFFFAOYSA-N 2 0 347.463 -0.080 20 0 EBADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000262406971 381676828 /nfs/dbraw/zinc/67/68/28/381676828.db2.gz QETFKNLTRVDZQJ-ZDUSSCGKSA-N 2 0 331.482 -0.047 20 0 EBADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000332116027 381751455 /nfs/dbraw/zinc/75/14/55/381751455.db2.gz XFPOUDYQOILVGY-ILXRZTDVSA-N 2 0 337.468 -0.957 20 0 EBADRP C[C@H]1C[N@H+](CCN2CC[NH2+]CC2)CCN1c1nccn2cnnc12 ZINC000580445906 381755873 /nfs/dbraw/zinc/75/58/73/381755873.db2.gz LRGRRPMRQRWURY-AWEZNQCLSA-N 2 0 330.440 -0.460 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[NH2+]1 ZINC000332521384 381805614 /nfs/dbraw/zinc/80/56/14/381805614.db2.gz AFHWNDUEQKKJFV-AWEZNQCLSA-N 2 0 338.452 -0.623 20 0 EBADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000612986742 381882692 /nfs/dbraw/zinc/88/26/92/381882692.db2.gz LEDNKELMERDHSN-LSDHHAIUSA-N 2 0 349.479 -0.018 20 0 EBADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000352086557 381869949 /nfs/dbraw/zinc/86/99/49/381869949.db2.gz DUQRNOLWEGMAEY-DZGCQCFKSA-N 2 0 327.473 -0.914 20 0 EBADRP Cn1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(=O)n(C)c1=O ZINC000537694423 381900511 /nfs/dbraw/zinc/90/05/11/381900511.db2.gz KPEIAZSEBTZCFP-RBSFLKMASA-N 2 0 336.436 -0.233 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000333467858 381924495 /nfs/dbraw/zinc/92/44/95/381924495.db2.gz AKNSUZOSKNEVHW-GJZGRUSLSA-N 2 0 337.468 -0.066 20 0 EBADRP CC[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC[C@@H]1[NH3+] ZINC000643509778 381928797 /nfs/dbraw/zinc/92/87/97/381928797.db2.gz SPRKBGOXTSMCCJ-CABCVRRESA-N 3 0 341.500 -0.476 20 0 EBADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000333128684 381893662 /nfs/dbraw/zinc/89/36/62/381893662.db2.gz ARINZMNSRHAGJP-SOUVJXGZSA-N 2 0 326.441 -0.131 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000333774005 381956529 /nfs/dbraw/zinc/95/65/29/381956529.db2.gz CNBNYDPIBOYDBL-GJZGRUSLSA-N 2 0 337.468 -0.066 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000333774003 381957496 /nfs/dbraw/zinc/95/74/96/381957496.db2.gz CNBNYDPIBOYDBL-CABCVRRESA-N 2 0 337.468 -0.066 20 0 EBADRP C[C@H]1CN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC[N@@H+]1CC(C)(C)O ZINC000333786777 381959906 /nfs/dbraw/zinc/95/99/06/381959906.db2.gz FMSPFZQGLYOBFA-UONOGXRCSA-N 2 0 328.457 -0.149 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000333827296 381961835 /nfs/dbraw/zinc/96/18/35/381961835.db2.gz LWBKYJQPDKVGNZ-ILXRZTDVSA-N 2 0 337.468 -0.068 20 0 EBADRP CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000626913759 381937989 /nfs/dbraw/zinc/93/79/89/381937989.db2.gz WZXOSGWVJZNPSL-CYBMUJFWSA-N 2 0 333.392 -0.397 20 0 EBADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000333712890 381953264 /nfs/dbraw/zinc/95/32/64/381953264.db2.gz SOWJXNTWFRBOFS-KFWWJZLASA-N 2 0 337.468 -0.068 20 0 EBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH+]2CCCC2)CCO1 ZINC000643514917 382011452 /nfs/dbraw/zinc/01/14/52/382011452.db2.gz GAOIFTFDKLZTME-KGLIPLIRSA-N 2 0 326.441 -0.495 20 0 EBADRP O[C@@H](CN[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C[NH+]1CCCC1 ZINC000629562682 382225634 /nfs/dbraw/zinc/22/56/34/382225634.db2.gz CGLXLRDQTHBSCC-SJORKVTESA-N 2 0 326.485 -0.561 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000341155767 285058708 /nfs/dbraw/zinc/05/87/08/285058708.db2.gz GGGSUQKJAGKPFT-HOTGVXAUSA-N 2 0 341.500 -0.110 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000358722518 285318660 /nfs/dbraw/zinc/31/86/60/285318660.db2.gz OOVYMIQDJZTWDG-RDJZCZTQSA-N 2 0 341.500 -0.374 20 0 EBADRP NC(=O)[C@H]1CCCN(C(=O)C[NH+]2CCC(OCCC[NH3+])CC2)C1 ZINC000321490879 155181456 /nfs/dbraw/zinc/18/14/56/155181456.db2.gz HTQMWIRPVCGGCY-ZDUSSCGKSA-N 2 0 326.441 -0.460 20 0 EBADRP C[C@H]1CN(CC(=O)N2CCNC(=O)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000328942338 155196780 /nfs/dbraw/zinc/19/67/80/155196780.db2.gz LHNRMJPBCXSGGO-LSDHHAIUSA-N 2 0 337.468 -0.257 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)CC1 ZINC000328991565 155200975 /nfs/dbraw/zinc/20/09/75/155200975.db2.gz DHGFGONVBDEERM-JKSUJKDBSA-N 2 0 349.479 -0.859 20 0 EBADRP C[NH+](C)CCN1C[C@H](C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)CC1=O ZINC000329196531 155210119 /nfs/dbraw/zinc/21/01/19/155210119.db2.gz TUPBITXLAYXVRC-ILXRZTDVSA-N 2 0 338.452 -0.672 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261950410 289339810 /nfs/dbraw/zinc/33/98/10/289339810.db2.gz WEGIETMVBGAETR-UTUOFQBUSA-N 2 0 325.413 -0.850 20 0 EBADRP CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)[NH+](C)C1 ZINC000331599207 155383278 /nfs/dbraw/zinc/38/32/78/155383278.db2.gz HHJRRERILRUROK-KKUMJFAQSA-N 2 0 338.452 -0.530 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000106582953 154090761 /nfs/dbraw/zinc/09/07/61/154090761.db2.gz OMUSZQHOTGWNLR-HNNXBMFYSA-N 2 0 329.489 -0.158 20 0 EBADRP CC[C@@](C)([NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C(N)=O ZINC000177130237 154114088 /nfs/dbraw/zinc/11/40/88/154114088.db2.gz OLSNQRSBUJMOKW-CZUORRHYSA-N 2 0 328.457 -0.297 20 0 EBADRP COC(=O)Cn1cc(CC[N@H+](C)CCCN2CC[NH+](C)CC2)nn1 ZINC000182960296 154135247 /nfs/dbraw/zinc/13/52/47/154135247.db2.gz POVZUNJQSXLAHD-UHFFFAOYSA-N 2 0 338.456 -0.437 20 0 EBADRP CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000261708726 154198306 /nfs/dbraw/zinc/19/83/06/154198306.db2.gz KXHHNGZAPJGDGA-LLVKDONJSA-N 2 0 325.413 -0.896 20 0 EBADRP C[C@]1(C2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)NC(=O)NC1=O ZINC000262053130 154210257 /nfs/dbraw/zinc/21/02/57/154210257.db2.gz IMWKAYFNNPBWDI-MRXNPFEDSA-N 2 0 337.424 -0.882 20 0 EBADRP C[C@@]1(C2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)NC(=O)NC1=O ZINC000262053129 154210572 /nfs/dbraw/zinc/21/05/72/154210572.db2.gz IMWKAYFNNPBWDI-INIZCTEOSA-N 2 0 337.424 -0.882 20 0 EBADRP [NH3+]CC(=O)NCC(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000262369056 154228807 /nfs/dbraw/zinc/22/88/07/154228807.db2.gz IGNAPFGSOYGBJB-UHFFFAOYSA-N 2 0 347.419 -0.474 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000263279294 154256804 /nfs/dbraw/zinc/25/68/04/154256804.db2.gz ZOTZBNHMZZOCQO-INIZCTEOSA-N 2 0 340.468 -0.343 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000343013846 156084223 /nfs/dbraw/zinc/08/42/23/156084223.db2.gz GJINSHQTXPHKIG-CYBMUJFWSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCC[N@H+](C)C2CC2)C[C@@H](C)O1 ZINC000343292028 156119621 /nfs/dbraw/zinc/11/96/21/156119621.db2.gz DALSHSMHJOXDMQ-ZIAGYGMSSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)C[C@]1(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)CC[NH2+]C1 ZINC000343649746 156151415 /nfs/dbraw/zinc/15/14/15/156151415.db2.gz WTCBQDVWKMXUDC-XKSGDERDSA-N 3 0 337.468 -0.748 20 0 EBADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](CCOC)C2)C1 ZINC000343882618 156176900 /nfs/dbraw/zinc/17/69/00/156176900.db2.gz DWCHDOMBEJRBLM-LSDHHAIUSA-N 2 0 340.468 -0.329 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000343880909 156178149 /nfs/dbraw/zinc/17/81/49/156178149.db2.gz CAECFYIYKIYPHG-ZIAGYGMSSA-N 2 0 326.441 -0.624 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)C1 ZINC000343898669 156185002 /nfs/dbraw/zinc/18/50/02/156185002.db2.gz ZVYPDGNCQWJQPW-ZFWWWQNUSA-N 2 0 338.452 -0.410 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000343917615 156187013 /nfs/dbraw/zinc/18/70/13/156187013.db2.gz QPUSDIMZNSVXNZ-KKUMJFAQSA-N 2 0 340.468 -0.236 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@H]32)C1 ZINC000343909957 156188136 /nfs/dbraw/zinc/18/81/36/156188136.db2.gz LOAVSKWNWBLFGL-SOUVJXGZSA-N 2 0 338.452 -0.624 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000345521864 156340687 /nfs/dbraw/zinc/34/06/87/156340687.db2.gz LWNVETDYJZGMRF-KBPBESRZSA-N 2 0 326.441 -0.767 20 0 EBADRP C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H](C)C[NH+](C)C)O1 ZINC000346229218 156391269 /nfs/dbraw/zinc/39/12/69/156391269.db2.gz RUIMGVCGOHATGB-CRWXNKLISA-N 2 0 328.457 -0.333 20 0 EBADRP COC[C@@]1(CNC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CCC[NH2+]1 ZINC000357256273 157130555 /nfs/dbraw/zinc/13/05/55/157130555.db2.gz KCRCCYLLVYHBET-BBRMVZONSA-N 2 0 326.441 -0.719 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000357579522 157155008 /nfs/dbraw/zinc/15/50/08/157155008.db2.gz PDHVGXAOXAPJKF-KBPBESRZSA-N 2 0 340.468 -0.188 20 0 EBADRP CC(=O)N[C@@H](C)C1CC[NH+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000357842580 157181198 /nfs/dbraw/zinc/18/11/98/157181198.db2.gz QDNOLNISABOLDQ-SWLSCSKDSA-N 2 0 338.452 -0.088 20 0 EBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)c1 ZINC000357933995 157188741 /nfs/dbraw/zinc/18/87/41/157188741.db2.gz RYAUEBIQENTNTM-LSDHHAIUSA-N 2 0 334.420 -0.683 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000358556310 157258134 /nfs/dbraw/zinc/25/81/34/157258134.db2.gz HEMIWEVJBMJBTG-CQSZACIVSA-N 2 0 342.484 -0.083 20 0 EBADRP C[N@@H+]1CC[C@](O)(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000358702366 157272363 /nfs/dbraw/zinc/27/23/63/157272363.db2.gz JNUHNWBETZSWCM-INMHGKMJSA-N 2 0 340.468 -0.270 20 0 EBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CCN1CCOCC1 ZINC000359261444 157308094 /nfs/dbraw/zinc/30/80/94/157308094.db2.gz DTFYVQYNVAKPFM-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000360274651 157370863 /nfs/dbraw/zinc/37/08/63/157370863.db2.gz ZERQOKLHLHEWSL-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCCOCC[NH+](C)C)C[N@@H+]1C1CC1 ZINC000360279288 157371729 /nfs/dbraw/zinc/37/17/29/157371729.db2.gz NTVKAPAJPWJGRZ-QWHCGFSZSA-N 2 0 326.441 -0.578 20 0 EBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000360278390 157372267 /nfs/dbraw/zinc/37/22/67/157372267.db2.gz IWAYSNNMKUCPAS-JSGCOSHPSA-N 2 0 326.441 -0.720 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000525438243 418941398 /nfs/dbraw/zinc/94/13/98/418941398.db2.gz SWQAGLYBXOAGAC-OAHLLOKOSA-N 3 0 329.489 -0.158 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC(N3CC[C@@H](O)C3)C2)C1 ZINC000650582677 419028733 /nfs/dbraw/zinc/02/87/33/419028733.db2.gz CAWJMZWCQBTLLA-HZPDHXFCSA-N 2 0 340.468 -0.196 20 0 EBADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000410469210 419029794 /nfs/dbraw/zinc/02/97/94/419029794.db2.gz CBZHFRSHMNJSGZ-KGLIPLIRSA-N 2 0 326.441 -0.672 20 0 EBADRP CCOCCN1CCN(C(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)CC1 ZINC000410469196 419029829 /nfs/dbraw/zinc/02/98/29/419029829.db2.gz CBSXIAIUCMVBFK-HNNXBMFYSA-N 2 0 340.468 -0.280 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCC[NH2+]CC2)cn1 ZINC000653122096 418991136 /nfs/dbraw/zinc/99/11/36/418991136.db2.gz LJZPYDHTLJSITC-ZDUSSCGKSA-N 2 0 336.440 -0.111 20 0 EBADRP C[NH+](C)CC[C@@H](N)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000653137789 418993092 /nfs/dbraw/zinc/99/30/92/418993092.db2.gz TUPAVUCJUDZHMP-GHMZBOCLSA-N 2 0 325.379 -0.782 20 0 EBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653150027 418995727 /nfs/dbraw/zinc/99/57/27/418995727.db2.gz PEWKZKRTXBYZRU-BQFCYCMXSA-N 2 0 336.480 -0.149 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCN(c3ncccc3F)C2)CC1 ZINC000518757524 419106350 /nfs/dbraw/zinc/10/63/50/419106350.db2.gz DOQVFLTVZHPZQH-GJZGRUSLSA-N 2 0 337.443 -0.003 20 0 EBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000647597835 419121747 /nfs/dbraw/zinc/12/17/47/419121747.db2.gz SSXDAJDBTUSTHH-QLFBSQMISA-N 2 0 340.468 -0.201 20 0 EBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCO[C@H](C[NH3+])C1 ZINC000647250972 419052967 /nfs/dbraw/zinc/05/29/67/419052967.db2.gz OVAPCXDHRXXJJY-CYBMUJFWSA-N 2 0 345.469 -0.590 20 0 EBADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655448461 419054043 /nfs/dbraw/zinc/05/40/43/419054043.db2.gz KVKNZBQNCFOKPG-RYRKJORJSA-N 2 0 336.480 -0.101 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000653261683 419058060 /nfs/dbraw/zinc/05/80/60/419058060.db2.gz VZJGKIQIRPWHTP-NYTXWWLZSA-N 2 0 340.468 -0.027 20 0 EBADRP Cn1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(=O)n(C)c1=O ZINC000650723499 419066821 /nfs/dbraw/zinc/06/68/21/419066821.db2.gz PGMZSLOFTIJRQV-RRFJBIMHSA-N 2 0 336.436 -0.055 20 0 EBADRP COC(=O)CNC(=O)CC[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000525686583 419074528 /nfs/dbraw/zinc/07/45/28/419074528.db2.gz MMLSEUSUZOKNGJ-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652671855 419247041 /nfs/dbraw/zinc/24/70/41/419247041.db2.gz QLUGWRZQSWTEIA-YIYPIFLZSA-N 2 0 326.441 -0.593 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000652677090 419249740 /nfs/dbraw/zinc/24/97/40/419249740.db2.gz PCIMAYGRQIUDCG-CYBMUJFWSA-N 2 0 328.457 -0.330 20 0 EBADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC1=O ZINC000644894003 419260192 /nfs/dbraw/zinc/26/01/92/419260192.db2.gz BUCXUTKPHCPPHQ-ZIAGYGMSSA-N 2 0 326.441 -0.624 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000652624067 419241885 /nfs/dbraw/zinc/24/18/85/419241885.db2.gz YUCRQZXTBNFLML-GXTWGEPZSA-N 2 0 334.424 -0.406 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000652622358 419242070 /nfs/dbraw/zinc/24/20/70/419242070.db2.gz IDAUVYLUZUHTSQ-INIZCTEOSA-N 2 0 334.424 -0.405 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)N1CC[NH+](C)C[C@@H](C(=O)OC)C1 ZINC000413141799 419306860 /nfs/dbraw/zinc/30/68/60/419306860.db2.gz YHMRGSMKGNJSMS-CQSZACIVSA-N 2 0 344.456 -0.299 20 0 EBADRP CN1CC[N@H+](CCCNC(=O)CNC(=O)C[NH3+])[C@H](c2ccccc2)C1 ZINC000262097971 419307142 /nfs/dbraw/zinc/30/71/42/419307142.db2.gz DWGYULCDVMJQBM-INIZCTEOSA-N 2 0 347.463 -0.444 20 0 EBADRP CS(=O)(=O)CCCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000647825628 419309941 /nfs/dbraw/zinc/30/99/41/419309941.db2.gz XTHLMBQYRAWEOS-CQSZACIVSA-N 2 0 331.482 -0.045 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000659456170 419328602 /nfs/dbraw/zinc/32/86/02/419328602.db2.gz IPXSUJHPZBDWQK-AWEZNQCLSA-N 2 0 327.473 -0.228 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N(C)CC2CC[NH+](C)CC2)C[C@H]1C[NH3+] ZINC000652729131 419322833 /nfs/dbraw/zinc/32/28/33/419322833.db2.gz SRQXGCCOHZFFIU-HUUCEWRRSA-N 2 0 340.468 -0.391 20 0 EBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000340418333 419355508 /nfs/dbraw/zinc/35/55/08/419355508.db2.gz AJPYFDDTJNXBOK-IUODEOHRSA-N 2 0 330.498 -0.004 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)CC1 ZINC000343014344 419402966 /nfs/dbraw/zinc/40/29/66/419402966.db2.gz IGZJOUMHWCJAIJ-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C)C(C)C ZINC000347962175 419491601 /nfs/dbraw/zinc/49/16/01/419491601.db2.gz ITFCKNMXWVEOFU-AWEZNQCLSA-N 2 0 327.473 -0.805 20 0 EBADRP C[C@@H](CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)C[NH+]1CCN(C)CC1 ZINC000647996110 419463645 /nfs/dbraw/zinc/46/36/45/419463645.db2.gz PGDAKZWPTBDVNY-KKUMJFAQSA-N 2 0 327.473 -0.814 20 0 EBADRP [NH3+][C@@H]1C[C@H]2CN(CCCN3C(=O)c4ccccc4C3=O)CCN2C1=O ZINC000519426292 419528330 /nfs/dbraw/zinc/52/83/30/419528330.db2.gz HVOQQKNKDQQSCV-SWLSCSKDSA-N 2 0 342.399 -0.084 20 0 EBADRP O=C(COC1CC[NH2+]CC1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000520402563 419564080 /nfs/dbraw/zinc/56/40/80/419564080.db2.gz ZTMUSMIXMYSJOC-UHFFFAOYSA-N 2 0 338.452 -0.478 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000347760065 419495293 /nfs/dbraw/zinc/49/52/93/419495293.db2.gz JUNHHKMHMFVRRA-KGLIPLIRSA-N 2 0 328.457 -0.378 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000348014519 419498737 /nfs/dbraw/zinc/49/87/37/419498737.db2.gz MXGOGBZVHGZXED-KGLIPLIRSA-N 2 0 328.457 -0.378 20 0 EBADRP C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1CCCO)[C@@H]1CN(C)CCO1 ZINC000655709776 419623266 /nfs/dbraw/zinc/62/32/66/419623266.db2.gz JZJGSZJUCYDFPR-ZNMIVQPWSA-N 2 0 328.457 -0.149 20 0 EBADRP C[C@@H](NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)[C@@H]1CN(C)CCO1 ZINC000655709892 419624476 /nfs/dbraw/zinc/62/44/76/419624476.db2.gz OKQNVYKWPSYAMJ-BARDWOONSA-N 2 0 328.457 -0.198 20 0 EBADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000659683467 419694717 /nfs/dbraw/zinc/69/47/17/419694717.db2.gz ZHTLBXGAYOCWQU-KKUMJFAQSA-N 2 0 342.484 -0.036 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000659643282 419643218 /nfs/dbraw/zinc/64/32/18/419643218.db2.gz PUQXMXRNPVSIGY-MJBXVCDLSA-N 2 0 325.457 -0.116 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CCO1 ZINC000659708922 419768205 /nfs/dbraw/zinc/76/82/05/419768205.db2.gz CBVQUBUIWJTKRJ-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP CC(C)[NH2+]CCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659711604 419771915 /nfs/dbraw/zinc/77/19/15/419771915.db2.gz BCFLFMCDQSGXRT-OAHLLOKOSA-N 2 0 340.468 -0.140 20 0 EBADRP C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419901884 419817101 /nfs/dbraw/zinc/81/71/01/419817101.db2.gz BCXZSMSCNDCSHA-MELADBBJSA-N 2 0 326.441 -0.530 20 0 EBADRP CCC[NH2+]CCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000419910444 419819007 /nfs/dbraw/zinc/81/90/07/419819007.db2.gz OZBYQNXQHYJOOO-UHFFFAOYSA-N 2 0 340.468 -0.327 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000419931727 419826340 /nfs/dbraw/zinc/82/63/40/419826340.db2.gz DTQQRTZFZSBZBQ-QLFBSQMISA-N 2 0 340.468 -0.140 20 0 EBADRP C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420015167 419831972 /nfs/dbraw/zinc/83/19/72/419831972.db2.gz POZIZMJZCBGGCA-MCIONIFRSA-N 2 0 340.468 -0.202 20 0 EBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000420018489 419832788 /nfs/dbraw/zinc/83/27/88/419832788.db2.gz POZIZMJZCBGGCA-IHRRRGAJSA-N 2 0 340.468 -0.202 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000420055232 419836846 /nfs/dbraw/zinc/83/68/46/419836846.db2.gz HWVIQBKHKNHSHS-UBHSHLNASA-N 2 0 338.452 -0.089 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000420024708 419840491 /nfs/dbraw/zinc/84/04/91/419840491.db2.gz ZBWMEVMBBGKWDA-MGPQQGTHSA-N 2 0 328.457 -0.299 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[NH+](C(C)C)C2)C1 ZINC000422299614 419880145 /nfs/dbraw/zinc/88/01/45/419880145.db2.gz MLLQONTXYHQZPX-CABCVRRESA-N 2 0 340.468 -0.236 20 0 EBADRP C[C@@H]1C[C@@H](C)[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1C[NH3+] ZINC000422636693 419904108 /nfs/dbraw/zinc/90/41/08/419904108.db2.gz NMVTYPJHWVVVBT-JHJVBQTASA-N 2 0 348.451 -0.261 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423202300 419923445 /nfs/dbraw/zinc/92/34/45/419923445.db2.gz AMVIRCVPUYMFKV-PBHICJAKSA-N 2 0 340.468 -0.247 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000423209270 419923607 /nfs/dbraw/zinc/92/36/07/419923607.db2.gz IUUPWPVUZMXSQP-GJZGRUSLSA-N 2 0 339.484 -0.580 20 0 EBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000423276758 419929058 /nfs/dbraw/zinc/92/90/58/419929058.db2.gz OTCRTFMLJSSZDW-HNNXBMFYSA-N 2 0 337.468 -0.953 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CCO1 ZINC000423226295 419925484 /nfs/dbraw/zinc/92/54/84/419925484.db2.gz QDZIARWSTTVXNU-GJZGRUSLSA-N 2 0 338.452 -0.351 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000423262206 419927349 /nfs/dbraw/zinc/92/73/49/419927349.db2.gz MACJXGBKURXZCI-UHFFFAOYSA-N 2 0 340.468 -0.375 20 0 EBADRP COCC[N@H+](C)C[C@H](O)CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000514795990 419973692 /nfs/dbraw/zinc/97/36/92/419973692.db2.gz LJFIWEZZHSKYOV-INIZCTEOSA-N 2 0 342.484 -0.835 20 0 EBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)CC[C@@H]21 ZINC000514930621 419976075 /nfs/dbraw/zinc/97/60/75/419976075.db2.gz PRKIPLBVYQALJV-FZKCQIBNSA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646009486 420532483 /nfs/dbraw/zinc/53/24/83/420532483.db2.gz NALKOIMLVCZIOX-HOTGVXAUSA-N 2 0 340.468 -0.722 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000646215936 420540367 /nfs/dbraw/zinc/54/03/67/420540367.db2.gz SWRWHPAETPRQSL-IHRRRGAJSA-N 2 0 325.457 -0.034 20 0 EBADRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000496593683 420639401 /nfs/dbraw/zinc/63/94/01/420639401.db2.gz WHHWTLWBNPDJFH-AWEZNQCLSA-N 2 0 340.472 -0.033 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000496833820 420650319 /nfs/dbraw/zinc/65/03/19/420650319.db2.gz CAFMYLZQJVCAAS-CQSZACIVSA-N 2 0 328.457 -0.196 20 0 EBADRP C[NH+]1CCN(c2ncccc2CNC(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529299298 420759570 /nfs/dbraw/zinc/75/95/70/420759570.db2.gz MCWASKHGPZSFQN-OAHLLOKOSA-N 2 0 348.451 -0.379 20 0 EBADRP C[N@H+](CCNC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)C1CC1 ZINC000529307085 420761298 /nfs/dbraw/zinc/76/12/98/420761298.db2.gz PFMISIYRAZLBCK-UHFFFAOYSA-N 2 0 338.456 -0.567 20 0 EBADRP C[C@@H](C[NH+](C)C)NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529328675 420762362 /nfs/dbraw/zinc/76/23/62/420762362.db2.gz VQBQBUOHRUMITR-ZDUSSCGKSA-N 2 0 326.445 -0.711 20 0 EBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)NC[C@@H]3COCC[NH2+]3)C2)CC1 ZINC000529379353 420765909 /nfs/dbraw/zinc/76/59/09/420765909.db2.gz KLXNHFBZTWQWSV-CABCVRRESA-N 2 0 325.457 -0.604 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000522002032 420714352 /nfs/dbraw/zinc/71/43/52/420714352.db2.gz PCHTYLYYFHMFFM-YNEHKIRRSA-N 2 0 328.457 -0.468 20 0 EBADRP C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)N1CCNC(=O)CC1 ZINC000195186368 420716676 /nfs/dbraw/zinc/71/66/76/420716676.db2.gz RZBJJIKOLQZMQW-AWEZNQCLSA-N 2 0 331.420 -0.059 20 0 EBADRP C[C@H]1COCCN1CCNC(=O)NCCC(=O)N1CCN(C)CC1 ZINC000524600627 420733402 /nfs/dbraw/zinc/73/34/02/420733402.db2.gz OZUPCLGZFDHBIN-AWEZNQCLSA-N 2 0 341.456 -0.830 20 0 EBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000236651021 420734190 /nfs/dbraw/zinc/73/41/90/420734190.db2.gz QUWCSYFLOOEPNC-CQSZACIVSA-N 2 0 340.468 -0.282 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000236839309 420735056 /nfs/dbraw/zinc/73/50/56/420735056.db2.gz JFEXARWMLFOICR-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP C[C@H]1C[NH+](CCCNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C[C@H](C)O1 ZINC000654362665 420825451 /nfs/dbraw/zinc/82/54/51/420825451.db2.gz YCOJHEVGCZLHGY-YHUYYLMFSA-N 2 0 340.468 -0.054 20 0 EBADRP Cc1nn(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(=O)n1C ZINC000654778535 420838033 /nfs/dbraw/zinc/83/80/33/420838033.db2.gz AQFSYYJBZLIEIG-UHFFFAOYSA-N 2 0 340.472 -0.378 20 0 EBADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000655955477 420861206 /nfs/dbraw/zinc/86/12/06/420861206.db2.gz BOYSTHIXSXFTAL-LSDHHAIUSA-N 2 0 332.404 -0.378 20 0 EBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656024895 420867419 /nfs/dbraw/zinc/86/74/19/420867419.db2.gz UBRTXGWUHIASBP-ZSAUSMIDSA-N 2 0 340.468 -0.286 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656021562 420867473 /nfs/dbraw/zinc/86/74/73/420867473.db2.gz ASCMELMMBXDVMJ-MQYQWHSLSA-N 2 0 326.441 -0.532 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656039849 420868657 /nfs/dbraw/zinc/86/86/57/420868657.db2.gz IYICGTKZYAFVEB-VWPFQQQWSA-N 2 0 340.468 -0.202 20 0 EBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656283521 420884477 /nfs/dbraw/zinc/88/44/77/420884477.db2.gz CNKIERKUWAABMN-LSDHHAIUSA-N 2 0 338.452 -0.747 20 0 EBADRP O=C(N[C@@H]1CC[NH+]2CCCC[C@@H]12)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656299721 420885402 /nfs/dbraw/zinc/88/54/02/420885402.db2.gz BXRHDKCBPUHSNE-YJNKXOJESA-N 2 0 336.436 -0.993 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656307473 420886944 /nfs/dbraw/zinc/88/69/44/420886944.db2.gz POZXZTWLGPYMLU-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000656312715 420888066 /nfs/dbraw/zinc/88/80/66/420888066.db2.gz XJCZORDYCJHHNP-MELADBBJSA-N 2 0 326.441 -0.720 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)COC1CCC([NH3+])CC1 ZINC000659356920 420996381 /nfs/dbraw/zinc/99/63/81/420996381.db2.gz AIIUWMHSQFHOPE-UHFFFAOYSA-N 2 0 328.457 -0.249 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC[C@H]1F ZINC000659456022 420999818 /nfs/dbraw/zinc/99/98/18/420999818.db2.gz HAUFHWQUUORWSA-RBSFLKMASA-N 2 0 343.447 -0.526 20 0 EBADRP O=C(CNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)N1CC[NH2+]CC1 ZINC000659509119 421002625 /nfs/dbraw/zinc/00/26/25/421002625.db2.gz VZWJAMBLHVWYRK-OAHLLOKOSA-N 2 0 337.468 -0.161 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)CCO1 ZINC000659508165 421002784 /nfs/dbraw/zinc/00/27/84/421002784.db2.gz NRCLFVQTHDGCAI-AWEZNQCLSA-N 2 0 341.456 -0.830 20 0 EBADRP C[C@@H]1CN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[C@H](C)[N@H+]1CCO ZINC000659629595 421006734 /nfs/dbraw/zinc/00/67/34/421006734.db2.gz HTRIVJFHJSVKQB-PHIMTYICSA-N 2 0 338.412 -0.763 20 0 EBADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@@H](C)C1 ZINC000659628986 421007822 /nfs/dbraw/zinc/00/78/22/421007822.db2.gz BKYBIQXUNSQXRK-QWRGUYRKSA-N 2 0 338.412 -0.763 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000659677067 421012647 /nfs/dbraw/zinc/01/26/47/421012647.db2.gz MOXQOEUZSYKSFP-CZUORRHYSA-N 2 0 348.447 -0.407 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000659679080 421013203 /nfs/dbraw/zinc/01/32/03/421013203.db2.gz DEUBNTOTHQJNGN-NWANDNLSSA-N 2 0 340.468 -0.405 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000659675868 421013415 /nfs/dbraw/zinc/01/34/15/421013415.db2.gz CHVCBAIAUWAHAJ-INIZCTEOSA-N 2 0 348.447 -0.323 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000659696008 421016903 /nfs/dbraw/zinc/01/69/03/421016903.db2.gz JSPRHZZKXJGIPR-CYBMUJFWSA-N 2 0 332.448 -0.074 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CCSC1 ZINC000659701421 421016967 /nfs/dbraw/zinc/01/69/67/421016967.db2.gz DQHIETLTFGXSNV-JTNHKYCSSA-N 2 0 332.445 -0.562 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CCO1 ZINC000659716045 421019788 /nfs/dbraw/zinc/01/97/88/421019788.db2.gz UACXPLHHNBKRPC-SOUVJXGZSA-N 2 0 340.468 -0.058 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CCO1 ZINC000659716332 421020397 /nfs/dbraw/zinc/02/03/97/421020397.db2.gz ZGQBFBOTWZCAQI-ZIAGYGMSSA-N 2 0 326.441 -0.591 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CCO1 ZINC000659723828 421023426 /nfs/dbraw/zinc/02/34/26/421023426.db2.gz KZINUNYHDFNXGH-RRFJBIMHSA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659739372 421026182 /nfs/dbraw/zinc/02/61/82/421026182.db2.gz RVDISRUAQMVCEO-CABCVRRESA-N 2 0 338.452 -0.434 20 0 EBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659742549 421026747 /nfs/dbraw/zinc/02/67/47/421026747.db2.gz UNULIHHDMALOFT-UHFFFAOYSA-N 2 0 338.452 -0.840 20 0 EBADRP C[NH2+]C[C@@](C)(O)CN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337634 421084930 /nfs/dbraw/zinc/08/49/30/421084930.db2.gz MKCJDQDKZAURQD-RHSMWYFYSA-N 2 0 336.484 -0.031 20 0 EBADRP C[NH2+]C[C@](C)(O)CN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337633 421085485 /nfs/dbraw/zinc/08/54/85/421085485.db2.gz MKCJDQDKZAURQD-PBHICJAKSA-N 2 0 336.484 -0.031 20 0 EBADRP CC(C)OC[C@H]([NH3+])C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000662475033 421087943 /nfs/dbraw/zinc/08/79/43/421087943.db2.gz HQFHMVYFRDFTHY-ZDUSSCGKSA-N 2 0 340.428 -0.748 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000662526592 421090596 /nfs/dbraw/zinc/09/05/96/421090596.db2.gz ATHDZXSNEGBVQR-HUUCEWRRSA-N 2 0 349.483 -0.133 20 0 EBADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C3(O)C[NH2+]C3)CC2)c1 ZINC000662758823 421100031 /nfs/dbraw/zinc/10/00/31/421100031.db2.gz UJYYFWBGARKLFL-UHFFFAOYSA-N 2 0 332.448 -0.042 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000662933712 421112726 /nfs/dbraw/zinc/11/27/26/421112726.db2.gz YUPDPEQDIMYWMD-UHFFFAOYSA-N 2 0 328.457 -0.249 20 0 EBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)CC[C@H]21 ZINC000662944273 421115030 /nfs/dbraw/zinc/11/50/30/421115030.db2.gz KOBKEIRBLWKDQH-AAVRWANBSA-N 2 0 326.416 -0.173 20 0 EBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000662940586 421115274 /nfs/dbraw/zinc/11/52/74/421115274.db2.gz XCRMTMCJCFFKNP-AAVRWANBSA-N 2 0 326.416 -0.173 20 0 EBADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000662951568 421115841 /nfs/dbraw/zinc/11/58/41/421115841.db2.gz MMGCCORNYPZEJO-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C[C@H](C)[NH2+]1 ZINC000662953957 421117418 /nfs/dbraw/zinc/11/74/18/421117418.db2.gz RSQJCCRDJWYKSA-ZNMIVQPWSA-N 2 0 340.468 -0.236 20 0 EBADRP [NH3+]CCOCC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663013674 421122867 /nfs/dbraw/zinc/12/28/67/421122867.db2.gz FPFWOEQWVKMZPS-ZDUSSCGKSA-N 2 0 336.440 -0.499 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCN2C[C@H]3CCCCN3C2=O)CC1 ZINC000663367340 421130712 /nfs/dbraw/zinc/13/07/12/421130712.db2.gz WYJZGQYVAFNTKA-HZPDHXFCSA-N 2 0 339.484 -0.526 20 0 EBADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000661945633 421075893 /nfs/dbraw/zinc/07/58/93/421075893.db2.gz FHYYCANHYFOZFJ-AWEZNQCLSA-N 2 0 325.457 -0.114 20 0 EBADRP C[NH+](C)[C@H]1CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[C@@H]1O ZINC000664005904 421144349 /nfs/dbraw/zinc/14/43/49/421144349.db2.gz DQEXNRYCRTZYQZ-GJZGRUSLSA-N 2 0 340.468 -0.052 20 0 EBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)C2)CC1 ZINC000664129809 421147952 /nfs/dbraw/zinc/14/79/52/421147952.db2.gz IVMIHIKEUGDXHI-KBMXLJTQSA-N 2 0 339.484 -0.529 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000664079989 421148020 /nfs/dbraw/zinc/14/80/20/421148020.db2.gz LCARCNOWMWICTN-CVEARBPZSA-N 2 0 341.500 -0.016 20 0 EBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423377275 265001383 /nfs/dbraw/zinc/00/13/83/265001383.db2.gz FDLFAJYSXIJYNT-KGLIPLIRSA-N 2 0 338.452 -0.352 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N(C)CC[NH2+]C)C1 ZINC000423453709 265004555 /nfs/dbraw/zinc/00/45/55/265004555.db2.gz XWDIEHKLVAWOEZ-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]CC2)C1 ZINC000423452167 265004647 /nfs/dbraw/zinc/00/46/47/265004647.db2.gz WABYIQBXJDPZON-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]([NH2+]C)C2)C1 ZINC000423451415 265004948 /nfs/dbraw/zinc/00/49/48/265004948.db2.gz UZHWBMAAHPNKQL-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423505408 265008034 /nfs/dbraw/zinc/00/80/34/265008034.db2.gz HRHIPSPEXCHTLW-AWEZNQCLSA-N 2 0 328.457 -0.247 20 0 EBADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000423593167 265016667 /nfs/dbraw/zinc/01/66/67/265016667.db2.gz LTWVQSCDPNIHJQ-OAHLLOKOSA-N 2 0 341.500 -0.461 20 0 EBADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000423722722 265038074 /nfs/dbraw/zinc/03/80/74/265038074.db2.gz PUTMRWXJXYDDEU-UONOGXRCSA-N 2 0 339.484 -0.581 20 0 EBADRP CC[NH+](CC)CCN(C(=O)COC1C[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000423732955 265039889 /nfs/dbraw/zinc/03/98/89/265039889.db2.gz PMQRVTOQBUSAHS-CYBMUJFWSA-N 2 0 347.481 -0.668 20 0 EBADRP CC[NH+](CC)CCSCC(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000428177105 265119304 /nfs/dbraw/zinc/11/93/04/265119304.db2.gz RCKQDMULNBIQAG-UHFFFAOYSA-N 2 0 330.498 -0.048 20 0 EBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCc2nnnn2-c2ccccc2)C1 ZINC000430602646 265150337 /nfs/dbraw/zinc/15/03/37/265150337.db2.gz HMEOVSBTKPOBQV-CQSZACIVSA-N 2 0 343.435 -0.008 20 0 EBADRP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)NC1CC1 ZINC000430671799 265152557 /nfs/dbraw/zinc/15/25/57/265152557.db2.gz XZLINKGXIRZRDI-GFCCVEGCSA-N 2 0 337.424 -0.882 20 0 EBADRP C[NH2+]CC1CC[NH+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000430932550 265155751 /nfs/dbraw/zinc/15/57/51/265155751.db2.gz ZKBUEKOVYHWEKJ-UHFFFAOYSA-N 2 0 339.484 -0.850 20 0 EBADRP CCN(CC)S(=O)(=O)CCNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433138739 265186188 /nfs/dbraw/zinc/18/61/88/265186188.db2.gz TXZXQMDBLPWTLL-UHFFFAOYSA-N 2 0 348.513 -0.023 20 0 EBADRP CCN(CCCNC(=O)CCC[NH+]1CCC([NH3+])CC1)S(C)(=O)=O ZINC000433116828 265186283 /nfs/dbraw/zinc/18/62/83/265186283.db2.gz NBOSJQOZAUEKAN-UHFFFAOYSA-N 2 0 348.513 -0.023 20 0 EBADRP O=C1C[C@]2(CC[N@H+](C/C=C/C[NH+]3CC[C@]4(CNC(=O)C4)C3)C2)CN1 ZINC000434738643 265211203 /nfs/dbraw/zinc/21/12/03/265211203.db2.gz OOCOXYONDDNGAZ-KVHJKKSTSA-N 2 0 332.448 -0.033 20 0 EBADRP Cn1cnc2c1c(=O)n(CCC[N@H+](C)[C@H]1CCC[NH2+]CC1)c(=O)n2C ZINC000435621196 265228535 /nfs/dbraw/zinc/22/85/35/265228535.db2.gz JQILWKHOGSBVHB-ZDUSSCGKSA-N 2 0 348.451 -0.102 20 0 EBADRP Cn1c2ncn(CC[N@H+](C)[C@@H]3CCC[NH2+]CC3)c2c(=O)n(C)c1=O ZINC000435611511 265229146 /nfs/dbraw/zinc/22/91/46/265229146.db2.gz BGPASZJUMLGPIH-GFCCVEGCSA-N 2 0 334.424 -0.492 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N(C)CC[NH+](C)C)C1 ZINC000459896559 265471248 /nfs/dbraw/zinc/47/12/48/265471248.db2.gz NABGXXXENJXAHP-OAHLLOKOSA-N 2 0 342.484 -0.034 20 0 EBADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000518398392 272890296 /nfs/dbraw/zinc/89/02/96/272890296.db2.gz QQHOEWGWFACMEK-AWEZNQCLSA-N 2 0 347.419 -0.007 20 0 EBADRP C[NH+](C)C1(CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CCOCC1 ZINC000354708767 282029382 /nfs/dbraw/zinc/02/93/82/282029382.db2.gz MFMVFIPTJBGZQC-CYBMUJFWSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261950413 289340458 /nfs/dbraw/zinc/34/04/58/289340458.db2.gz WEGIETMVBGAETR-WOPDTQHZSA-N 2 0 325.413 -0.850 20 0 EBADRP [NH3+][C@@H](CNC(=O)[C@@]1(CC(=O)NC[C@@H]([NH3+])C2CC2)CC[NH2+]C1)C1CC1 ZINC000378314856 295295468 /nfs/dbraw/zinc/29/54/68/295295468.db2.gz LNGLPVNEELVDEZ-JKIFEVAISA-N 3 0 337.468 -0.937 20 0 EBADRP C[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[N@H+](C)C1CC1 ZINC000120170153 545650262 /nfs/dbraw/zinc/65/02/62/545650262.db2.gz WRKIPWJAWYSQCI-GFCCVEGCSA-N 2 0 336.440 -0.018 20 0 EBADRP CCN(C(=O)C(=O)NCCCC[NH+]1CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC000668513047 545706095 /nfs/dbraw/zinc/70/60/95/545706095.db2.gz XKHXKVAVDVKTME-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP CCN(C(=O)C(=O)NCC[NH+](C)CCOC)[C@H]1CC[N@H+](CC)C1 ZINC000668751560 545752499 /nfs/dbraw/zinc/75/24/99/545752499.db2.gz WTNGMPJFHWCREF-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)C1 ZINC000668842583 545770166 /nfs/dbraw/zinc/77/01/66/545770166.db2.gz KCMLPCQIPVMPTC-KGLIPLIRSA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+](C)CCCN1C(=O)C[C@@H]([NH+]2CCC3(CNC(=O)C3)CC2)C1=O ZINC000531442364 545996232 /nfs/dbraw/zinc/99/62/32/545996232.db2.gz NKSFHIRJYJFFKZ-CYBMUJFWSA-N 2 0 336.436 -0.332 20 0 EBADRP C[NH+](C)[C@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[C@@H]1O ZINC000666978281 546046770 /nfs/dbraw/zinc/04/67/70/546046770.db2.gz VYSQPCZTBKBWEF-ILXRZTDVSA-N 2 0 326.441 -0.444 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000672310358 546089947 /nfs/dbraw/zinc/08/99/47/546089947.db2.gz QJZYUXCWFQNINS-LSDHHAIUSA-N 2 0 338.452 -0.576 20 0 EBADRP C[NH+]1CCN(CCNC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1(C)C ZINC000672854792 546122341 /nfs/dbraw/zinc/12/23/41/546122341.db2.gz GYAQHNBVABAUFV-AWEZNQCLSA-N 2 0 339.484 -0.661 20 0 EBADRP CS(=O)(=O)N1CCN(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000677240801 546227756 /nfs/dbraw/zinc/22/77/56/546227756.db2.gz LOEOYHVKXCJILO-HUUCEWRRSA-N 2 0 330.498 -0.220 20 0 EBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000677877655 546238279 /nfs/dbraw/zinc/23/82/79/546238279.db2.gz IYAWSAUMBRAUSW-CABCVRRESA-N 2 0 337.468 -0.920 20 0 EBADRP NC(=O)[C@@H]1CCCN1C1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000678080099 546247080 /nfs/dbraw/zinc/24/70/80/546247080.db2.gz NVSAYKUBVWSPFC-HOTGVXAUSA-N 2 0 340.468 -0.906 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cn1 ZINC000679371246 546270619 /nfs/dbraw/zinc/27/06/19/546270619.db2.gz SZUSRBZOAYDKPH-UKRRQHHQSA-N 2 0 348.451 -0.064 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891540600 582557635 /nfs/dbraw/zinc/55/76/35/582557635.db2.gz UQSVWLNPJOSISP-GJZGRUSLSA-N 2 0 339.484 -0.310 20 0 EBADRP [NH3+]C[C@H]1CCCN1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000891567901 582558333 /nfs/dbraw/zinc/55/83/33/582558333.db2.gz XVZYIDZEMLUBDK-HUUCEWRRSA-N 2 0 325.457 -0.474 20 0 EBADRP C[NH+](C)C1(C)CCC(NC(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000891970807 582564690 /nfs/dbraw/zinc/56/46/90/582564690.db2.gz OPQLRNKISUWYBP-UHFFFAOYSA-N 2 0 325.457 -0.020 20 0 EBADRP O=C(NC[C@@H]1CCC[NH2+]1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000892000094 582565436 /nfs/dbraw/zinc/56/54/36/582565436.db2.gz PNJHKHLHPZUQBJ-JKSUJKDBSA-N 2 0 339.484 -0.166 20 0 EBADRP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892037508 582566651 /nfs/dbraw/zinc/56/66/51/582566651.db2.gz DHJKLZOTYUNLMK-DGAVXFQQSA-N 2 0 339.440 -0.064 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCCO2)C[C@H]1C[NH+](C)C ZINC000892170611 582568543 /nfs/dbraw/zinc/56/85/43/582568543.db2.gz VCJJWCQFGVPUPN-BZUAXINKSA-N 3 0 341.500 -0.254 20 0 EBADRP O=C(NCC12CC(C1)C[NH2+]2)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892261621 582572138 /nfs/dbraw/zinc/57/21/38/582572138.db2.gz NRVNPEHOVHHZAX-BIWMVHNJSA-N 2 0 335.408 -0.685 20 0 EBADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892267627 582572528 /nfs/dbraw/zinc/57/25/28/582572528.db2.gz NPUUDMCFCMEMME-YIYPIFLZSA-N 2 0 349.435 -0.295 20 0 EBADRP CN(C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@H]1CCOC1 ZINC000867443544 582616744 /nfs/dbraw/zinc/61/67/44/582616744.db2.gz JJQRNKVWVWPERM-KFWWJZLASA-N 2 0 340.468 -0.569 20 0 EBADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000516925475 582628429 /nfs/dbraw/zinc/62/84/29/582628429.db2.gz PSZNZMDGAPOCQO-HZPDHXFCSA-N 2 0 332.452 -0.073 20 0 EBADRP CN1CCN(C(=O)C(=O)NCC(C)(C)N2CCOCC2)CC1(C)C ZINC000897340433 582678274 /nfs/dbraw/zinc/67/82/74/582678274.db2.gz RCZNSBZKZQXJMB-UHFFFAOYSA-N 2 0 340.468 -0.234 20 0 EBADRP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898115874 582721102 /nfs/dbraw/zinc/72/11/02/582721102.db2.gz WQLUMCGPJNCNNN-MRXNPFEDSA-N 2 0 336.480 -0.271 20 0 EBADRP C[C@@H]1C[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@H]1CC[NH3+] ZINC000903496825 582809480 /nfs/dbraw/zinc/80/94/80/582809480.db2.gz GAPLKZLBFMZTOI-CHWSQXEVSA-N 2 0 348.451 -0.260 20 0 EBADRP CC1(C)CN(C(=O)C(=O)N2CCN(c3ccccn3)CC2)C[C@H]1[NH3+] ZINC000903714029 582814928 /nfs/dbraw/zinc/81/49/28/582814928.db2.gz KINAUXZMTZCSSO-CYBMUJFWSA-N 2 0 331.420 -0.074 20 0 EBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000903747883 582815368 /nfs/dbraw/zinc/81/53/68/582815368.db2.gz WGVLYLBFXFRTKG-CABCVRRESA-N 2 0 338.452 -0.493 20 0 EBADRP OCC[N@H+](CCN1CCOCC1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903738196 582816478 /nfs/dbraw/zinc/81/64/78/582816478.db2.gz ZEPBDTKQKNMSMH-INIZCTEOSA-N 2 0 327.469 -0.228 20 0 EBADRP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)NC[C@H]1CCCC[N@H+]1CCO ZINC000838303452 583053501 /nfs/dbraw/zinc/05/35/01/583053501.db2.gz VIMQEFMPJGMWIN-OWCLPIDISA-N 2 0 340.468 -0.004 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[NH+]1CCCCC1 ZINC000793714272 583568883 /nfs/dbraw/zinc/56/88/83/583568883.db2.gz CLQWXTJRBKCRIH-LSDHHAIUSA-N 2 0 339.484 -0.661 20 0 EBADRP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804053359 583638009 /nfs/dbraw/zinc/63/80/09/583638009.db2.gz JFFQBVHXEBJCQD-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CCN(C(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@@H]1CC[N@H+](C)C1 ZINC000827705045 583926387 /nfs/dbraw/zinc/92/63/87/583926387.db2.gz FOSHLBIKYMPVQD-QLFBSQMISA-N 2 0 338.452 -0.482 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[NH+]1CCCCC1 ZINC000842016252 584056346 /nfs/dbraw/zinc/05/63/46/584056346.db2.gz SNCCRTAODVBVRL-KGLIPLIRSA-N 2 0 326.441 -0.447 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CCO1 ZINC000842130386 584057135 /nfs/dbraw/zinc/05/71/35/584057135.db2.gz OGQXHTQHOLABKR-FQUUOJAGSA-N 2 0 326.441 -0.450 20 0 EBADRP [NH3+]CCCCCCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000843259192 584074216 /nfs/dbraw/zinc/07/42/16/584074216.db2.gz LNVGOMVISUWMAW-UONOGXRCSA-N 2 0 326.441 -0.399 20 0 EBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000851684926 584198416 /nfs/dbraw/zinc/19/84/16/584198416.db2.gz NDSLLFPWVMUQKX-HZSPNIEDSA-N 2 0 326.441 -0.545 20 0 EBADRP C[C@H](C[NH3+])CNC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861640567 584332133 /nfs/dbraw/zinc/33/21/33/584332133.db2.gz DZORJNQGEKJMNR-RTXFEEFZSA-N 2 0 325.413 -0.452 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000861731538 584335620 /nfs/dbraw/zinc/33/56/20/584335620.db2.gz FLPSQXMIYDUMLY-UHFFFAOYSA-N 2 0 328.457 -0.282 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000861733171 584335830 /nfs/dbraw/zinc/33/58/30/584335830.db2.gz OVHCRNGYHVDZOL-UHFFFAOYSA-N 2 0 328.457 -0.201 20 0 EBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000861732210 584335896 /nfs/dbraw/zinc/33/58/96/584335896.db2.gz KKULBKNTMHJKQX-CJNGLKHVSA-N 2 0 348.447 -0.325 20 0 EBADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000861741652 584336448 /nfs/dbraw/zinc/33/64/48/584336448.db2.gz UNLPKEUKNXTXNN-ZDUSSCGKSA-N 2 0 328.457 -0.202 20 0 EBADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000861801550 584339461 /nfs/dbraw/zinc/33/94/61/584339461.db2.gz SBMCVTFAMQFZQG-INIZCTEOSA-N 2 0 348.447 -0.189 20 0 EBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000863755562 584376655 /nfs/dbraw/zinc/37/66/55/584376655.db2.gz UEKZNEZZFTVYEH-HIFRSBDPSA-N 3 0 339.484 -0.581 20 0 EBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N(C)CC[NH2+]C)CC1 ZINC000863769263 584377924 /nfs/dbraw/zinc/37/79/24/584377924.db2.gz VGINEADVDRHTHN-UHFFFAOYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[NH+](C)C[C@@H]1CN(c2ncc(S(N)(=O)=O)s2)C[C@H]1C[NH+](C)C ZINC000866012894 584397835 /nfs/dbraw/zinc/39/78/35/584397835.db2.gz UUTRJXRHMONAJU-GHMZBOCLSA-N 2 0 347.510 -0.034 20 0 EBADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000866748460 584405512 /nfs/dbraw/zinc/40/55/12/584405512.db2.gz RDWLMRFTEMGSEU-ZIAGYGMSSA-N 2 0 332.470 -0.632 20 0 EBADRP C[NH+]1CCC2(CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)CC1 ZINC000868390301 584427381 /nfs/dbraw/zinc/42/73/81/584427381.db2.gz YPXNTZXALMNRSJ-GASCZTMLSA-N 2 0 334.464 -0.001 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)C[C@H]1C[NH3+] ZINC000868393092 584427860 /nfs/dbraw/zinc/42/78/60/584427860.db2.gz JXJMDTZKTGEUCK-APIJFGDWSA-N 2 0 338.452 -0.639 20 0 EBADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C(F)C(=O)N3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)C[C@H]21 ZINC000868731845 584433074 /nfs/dbraw/zinc/43/30/74/584433074.db2.gz LEFBKOFDFMUJAE-GQHARHJQSA-N 2 0 338.427 -0.639 20 0 EBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)CC[C@@H]21 ZINC000872193306 584459771 /nfs/dbraw/zinc/45/97/71/584459771.db2.gz UMVVNDPSNCLQQY-LDDOYCOJSA-N 2 0 334.464 -0.003 20 0 EBADRP C[NH+]1CCC(C[NH2+]C[C@H](O)CC(C)(C)O)(N2CCOCC2)CC1 ZINC000872209457 584460466 /nfs/dbraw/zinc/46/04/66/584460466.db2.gz KYHYXZNHZASUNL-OAHLLOKOSA-N 2 0 329.485 -0.106 20 0 EBADRP C[NH+](C)C[C@@H]1CN(CN2C(=O)c3nccnc3C2=O)C[C@H]1C[NH+](C)C ZINC000872636813 584464296 /nfs/dbraw/zinc/46/42/96/584464296.db2.gz VMGIAHFGUUWMHG-CHWSQXEVSA-N 2 0 346.435 -0.299 20 0 EBADRP CCN1C(=O)CN(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1=O ZINC000872636748 584464339 /nfs/dbraw/zinc/46/43/39/584464339.db2.gz NLJQIOPYQAOPON-ZIAGYGMSSA-N 2 0 325.457 -0.101 20 0 EBADRP CN1C[C@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1=O ZINC000875350471 584497824 /nfs/dbraw/zinc/49/78/24/584497824.db2.gz LJNXKJYHRDRGFN-MGPQQGTHSA-N 2 0 325.457 -0.402 20 0 EBADRP Cn1ncc(C[NH3+])c1C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000876780541 584523627 /nfs/dbraw/zinc/52/36/27/584523627.db2.gz HBZVWEYKWKEXKH-UHFFFAOYSA-N 2 0 343.435 -0.044 20 0 EBADRP Cn1ncc(C[NH3+])c1C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000876782811 584523753 /nfs/dbraw/zinc/52/37/53/584523753.db2.gz VAYALDIOZPFMAO-UHFFFAOYSA-N 2 0 343.435 -0.044 20 0 EBADRP COC[C@@]1(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C[NH2+]CCO1 ZINC000876980999 584527752 /nfs/dbraw/zinc/52/77/52/584527752.db2.gz LJAMOSQGZNLORV-GOEBONIOSA-N 2 0 329.441 -0.439 20 0 EBADRP O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000876995093 584527771 /nfs/dbraw/zinc/52/77/71/584527771.db2.gz AFVGBWQZHHEIRA-QWHCGFSZSA-N 2 0 327.404 -0.897 20 0 EBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000877144501 584529532 /nfs/dbraw/zinc/52/95/32/584529532.db2.gz OEHYDXCCANAQQI-PNBKFKSVSA-N 3 0 326.485 -0.049 20 0 EBADRP OC[C@@H]1C[C@H](O)C[NH+]1CC(C[N@H+]1C[C@@H](O)C[C@H]1CO)C1CCCC1 ZINC000878320198 584539937 /nfs/dbraw/zinc/53/99/37/584539937.db2.gz BSXBWLNFKIYMIT-XSLAGTTESA-N 2 0 342.480 -0.352 20 0 EBADRP C[Si](C)(CC[NH+]1CC[C@@H](O)[C@@H](O)C1)CC[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879608659 584554916 /nfs/dbraw/zinc/55/49/16/584554916.db2.gz QXHMYWMWOLXEMQ-WCVJEAGWSA-N 2 0 346.544 -0.450 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C[C@H]1[NH3+] ZINC000883640743 584603990 /nfs/dbraw/zinc/60/39/90/584603990.db2.gz XQYODFVNCSOLKJ-VNHYZAJKSA-N 2 0 331.420 -0.076 20 0 EBADRP C[NH+]1CCN(CCCNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884233671 584619739 /nfs/dbraw/zinc/61/97/39/584619739.db2.gz UXHFQQIBZDABTB-UHFFFAOYSA-N 2 0 346.479 -0.142 20 0 EBADRP C[C@H](CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1)N1CC[NH+](C)CC1 ZINC000884235255 584619813 /nfs/dbraw/zinc/61/98/13/584619813.db2.gz QESLOWZXRJPWLO-OAHLLOKOSA-N 2 0 346.479 -0.143 20 0 EBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000884507943 584625114 /nfs/dbraw/zinc/62/51/14/584625114.db2.gz QFTGOZULBKKSSW-CHWSQXEVSA-N 2 0 325.457 -0.923 20 0 EBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000884516427 584625253 /nfs/dbraw/zinc/62/52/53/584625253.db2.gz KHXAATNYCUKQGC-STQMWFEESA-N 2 0 325.457 -0.923 20 0 EBADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000884560146 584627546 /nfs/dbraw/zinc/62/75/46/584627546.db2.gz OILIPVQMGOISRT-QLFBSQMISA-N 2 0 338.452 -0.434 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000884562575 584627553 /nfs/dbraw/zinc/62/75/53/584627553.db2.gz DVOQGZMONILDGT-QGZVFWFLSA-N 2 0 340.468 -0.327 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000884662803 584632358 /nfs/dbraw/zinc/63/23/58/584632358.db2.gz YOCJCQRATIESJQ-KRWDZBQOSA-N 2 0 342.484 -0.096 20 0 EBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000884656615 584632386 /nfs/dbraw/zinc/63/23/86/584632386.db2.gz NJQSIBPSEZGIQB-QWHCGFSZSA-N 2 0 340.468 -0.060 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000884662804 584632420 /nfs/dbraw/zinc/63/24/20/584632420.db2.gz YOCJCQRATIESJQ-QGZVFWFLSA-N 2 0 342.484 -0.096 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])C[NH+]1CCN(C)CC1 ZINC000884670371 584632513 /nfs/dbraw/zinc/63/25/13/584632513.db2.gz XMHTUPILRWYXED-HUUCEWRRSA-N 2 0 339.484 -0.674 20 0 EBADRP C[N@@H+]1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CCC1(C)C ZINC000884676749 584633260 /nfs/dbraw/zinc/63/32/60/584633260.db2.gz WSLGOXYUKLUCDX-UHFFFAOYSA-N 2 0 339.484 -0.659 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CCN1c1cc[nH+]cc1 ZINC000884678948 584633836 /nfs/dbraw/zinc/63/38/36/584633836.db2.gz PWDGOFOCXBIGDI-SWLSCSKDSA-N 2 0 331.420 -0.028 20 0 EBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000884703939 584635072 /nfs/dbraw/zinc/63/50/72/584635072.db2.gz PSCWMVYNEMHOHB-MGPQQGTHSA-N 3 0 327.473 -0.962 20 0 EBADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000884725706 584636268 /nfs/dbraw/zinc/63/62/68/584636268.db2.gz ULPNEVBWRIEQNI-OAHLLOKOSA-N 2 0 340.468 -0.282 20 0 EBADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000884814964 584638628 /nfs/dbraw/zinc/63/86/28/584638628.db2.gz KAHKYBMMQAOTTA-HNNXBMFYSA-N 2 0 340.468 -0.185 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)CCO1 ZINC000884986219 584642298 /nfs/dbraw/zinc/64/22/98/584642298.db2.gz LDECAZANTNBBKS-PEUXKQIOSA-N 2 0 340.468 -0.060 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)NC[C@H]3C[NH2+]CCC3(F)F)CC[C@H]21 ZINC000885296563 584647843 /nfs/dbraw/zinc/64/78/43/584647843.db2.gz ZGCSHVUOWHSFRA-JHJVBQTASA-N 2 0 344.406 -0.100 20 0 EBADRP CCN(C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)[C@H]1CC[NH2+]C1 ZINC000887067857 584674660 /nfs/dbraw/zinc/67/46/60/584674660.db2.gz AHWQUBKLCKJTII-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP C[N@@H+]1CCC[C@](O)(CC(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3CCO)C1 ZINC000889745521 584688477 /nfs/dbraw/zinc/68/84/77/584688477.db2.gz VZASAEYBTIBNBR-ZOBUZTSGSA-N 2 0 325.453 -0.109 20 0 EBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000904971981 650053522 /nfs/dbraw/zinc/05/35/22/650053522.db2.gz SHUBGCDPFMQSSI-UHFFFAOYSA-N 2 0 326.441 -0.495 20 0 EBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000904978787 650053993 /nfs/dbraw/zinc/05/39/93/650053993.db2.gz CZRFXNTUTGJVTH-UHFFFAOYSA-N 2 0 340.468 -0.103 20 0 EBADRP [NH3+]CC1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000904990602 650055474 /nfs/dbraw/zinc/05/54/74/650055474.db2.gz PZYJNXYHJXPGJR-CABCVRRESA-N 2 0 338.452 -0.759 20 0 EBADRP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000904990135 650055496 /nfs/dbraw/zinc/05/54/96/650055496.db2.gz OQNHIYDQYMHAJQ-SOUVJXGZSA-N 2 0 338.452 -0.759 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000904995210 650057092 /nfs/dbraw/zinc/05/70/92/650057092.db2.gz KQIPRAAMMXQMDA-YOEHRIQHSA-N 2 0 338.452 -0.623 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000904996445 650057638 /nfs/dbraw/zinc/05/76/38/650057638.db2.gz PZRNFLRSNWTCFW-UONOGXRCSA-N 2 0 326.441 -0.624 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000905017806 650060641 /nfs/dbraw/zinc/06/06/41/650060641.db2.gz WSCBIOAYVOGYFX-RHSMWYFYSA-N 2 0 338.452 -0.623 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000905024554 650060859 /nfs/dbraw/zinc/06/08/59/650060859.db2.gz WMHDAZOJUOBKQU-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000905025025 650061635 /nfs/dbraw/zinc/06/16/35/650061635.db2.gz YFGIAFDBGSQRDN-ILXRZTDVSA-N 2 0 338.452 -0.624 20 0 EBADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](O)C2(O)CCOCC2)CC1 ZINC000905110729 650061930 /nfs/dbraw/zinc/06/19/30/650061930.db2.gz NYOPHZDCWYEKHW-CVEARBPZSA-N 2 0 329.485 -0.248 20 0 EBADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000907458126 650083826 /nfs/dbraw/zinc/08/38/26/650083826.db2.gz YAZYMGNUNYPDLN-RDJZCZTQSA-N 2 0 326.485 -0.025 20 0 EBADRP C[C@H]1CN(C(=O)C2CN(C)CC[NH+](C)C2)CC[N@@H+]1CC(C)(C)O ZINC000907602023 650087378 /nfs/dbraw/zinc/08/73/78/650087378.db2.gz AYBKKPQWGJAHEU-AWEZNQCLSA-N 2 0 326.485 -0.217 20 0 EBADRP CC[NH+]1CCN(CC(=O)NCC(=O)NCC[NH+]2CCCCC2)CC1 ZINC000909326871 650105555 /nfs/dbraw/zinc/10/55/55/650105555.db2.gz ZVIIUOWQFFKYAS-UHFFFAOYSA-N 2 0 339.484 -0.658 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CCCC1 ZINC000910953328 650142110 /nfs/dbraw/zinc/14/21/10/650142110.db2.gz RRQFXXMBHMSNNJ-OAHLLOKOSA-N 2 0 326.441 -0.711 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000910973552 650142767 /nfs/dbraw/zinc/14/27/67/650142767.db2.gz UXPLAJQICDKGDV-AWEZNQCLSA-N 2 0 340.468 -0.188 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H](CC[NH3+])C2)C1 ZINC000910993610 650144213 /nfs/dbraw/zinc/14/42/13/650144213.db2.gz SLGMIRIBEXLIGW-LSDHHAIUSA-N 2 0 340.468 -0.343 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000911002681 650144750 /nfs/dbraw/zinc/14/47/50/650144750.db2.gz MPQRWOVEGSKBQM-INIZCTEOSA-N 2 0 348.447 -0.319 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000911003338 650144812 /nfs/dbraw/zinc/14/48/12/650144812.db2.gz JGZZNSZQSSCQJY-HNNXBMFYSA-N 2 0 340.468 -0.138 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@H]1[NH3+] ZINC000911013050 650145142 /nfs/dbraw/zinc/14/51/42/650145142.db2.gz VXIVHWDFZYWKIF-NMFUWQPSSA-N 2 0 338.452 -0.714 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000911012084 650145152 /nfs/dbraw/zinc/14/51/52/650145152.db2.gz OAVASIBQSHZQDT-TZMCWYRMSA-N 2 0 349.435 -0.638 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000911009507 650145207 /nfs/dbraw/zinc/14/52/07/650145207.db2.gz SBUMEVSXGMKBFM-MGPQQGTHSA-N 2 0 326.441 -0.578 20 0 EBADRP CN(C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1)C1(C[NH3+])CCOCC1 ZINC000911013860 650145586 /nfs/dbraw/zinc/14/55/86/650145586.db2.gz CZXGISNRFVMHDZ-CQSZACIVSA-N 2 0 340.468 -0.199 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000911091663 650150647 /nfs/dbraw/zinc/15/06/47/650150647.db2.gz OJEXHUCFRVUTSE-RHSMWYFYSA-N 2 0 340.468 -0.465 20 0 EBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC1(C)C ZINC000911097880 650151208 /nfs/dbraw/zinc/15/12/08/650151208.db2.gz WGBLUYRLMYVRQA-ZDUSSCGKSA-N 2 0 339.484 -0.757 20 0 EBADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911146217 650153901 /nfs/dbraw/zinc/15/39/01/650153901.db2.gz JUGQKGKACNNMLH-JTLRNRKASA-N 2 0 348.369 -0.067 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000911160360 650155790 /nfs/dbraw/zinc/15/57/90/650155790.db2.gz BYLVCTZFWXDRHT-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H](NC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CN(C)CCO1 ZINC000911162199 650155831 /nfs/dbraw/zinc/15/58/31/650155831.db2.gz NSSYCGUEBUGYOW-XJFOESAGSA-N 2 0 326.441 -0.817 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1)C1CC1 ZINC000911186310 650158029 /nfs/dbraw/zinc/15/80/29/650158029.db2.gz FSKPECOUOAWAAN-GHMZBOCLSA-N 2 0 336.358 -0.065 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000911194555 650158622 /nfs/dbraw/zinc/15/86/22/650158622.db2.gz QHSRWOAUJSDWEB-CKEIUWERSA-N 2 0 338.452 -0.447 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2C[C@H]([NH3+])C(C)(C)C2)CCSC1 ZINC000911198534 650158798 /nfs/dbraw/zinc/15/87/98/650158798.db2.gz HALQREFAGWUJCI-NHYWBVRUSA-N 2 0 328.482 -0.264 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000911196401 650158927 /nfs/dbraw/zinc/15/89/27/650158927.db2.gz XDZQYHQHAOGQJQ-ZIAGYGMSSA-N 2 0 326.441 -0.589 20 0 EBADRP C[C@H](CCNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)[NH+]1CCCCC1 ZINC000911242878 650162535 /nfs/dbraw/zinc/16/25/35/650162535.db2.gz KXQSBEWBJUNNBG-PBHICJAKSA-N 2 0 340.468 -0.321 20 0 EBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000911244300 650162914 /nfs/dbraw/zinc/16/29/14/650162914.db2.gz LLVZCVNEFBAWJP-CQSZACIVSA-N 2 0 340.468 -0.199 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000911265771 650164012 /nfs/dbraw/zinc/16/40/12/650164012.db2.gz DQBHOBBOEWSDOT-HZPDHXFCSA-N 2 0 348.447 -0.148 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000911269350 650164216 /nfs/dbraw/zinc/16/42/16/650164216.db2.gz JUCDFUDMPPCCRK-ILXRZTDVSA-N 2 0 338.452 -0.434 20 0 EBADRP CN(C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)C1(C[NH3+])CCOCC1 ZINC000911269073 650164378 /nfs/dbraw/zinc/16/43/78/650164378.db2.gz HYPAHGZXHPEHJI-UONOGXRCSA-N 2 0 338.452 -0.304 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1)C[NH+](C)C ZINC000911284914 650166913 /nfs/dbraw/zinc/16/69/13/650166913.db2.gz SONHIWZAKJWUAB-LSDHHAIUSA-N 2 0 336.436 -0.115 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)C[NH+](C)C ZINC000911299507 650167635 /nfs/dbraw/zinc/16/76/35/650167635.db2.gz YSKTVYKJGWFLQI-KBPBESRZSA-N 2 0 328.457 -0.297 20 0 EBADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000911312397 650170352 /nfs/dbraw/zinc/17/03/52/650170352.db2.gz WYQCICZRRFVJTF-ZDUSSCGKSA-N 2 0 328.457 -0.473 20 0 EBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000911330367 650171696 /nfs/dbraw/zinc/17/16/96/650171696.db2.gz JSLACFDMAMTUNU-YOEHRIQHSA-N 2 0 340.468 -0.465 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000911330323 650171947 /nfs/dbraw/zinc/17/19/47/650171947.db2.gz JRDXQMJOHJTCNM-LSDHHAIUSA-N 2 0 340.468 -0.330 20 0 EBADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000911345712 650173235 /nfs/dbraw/zinc/17/32/35/650173235.db2.gz JXTWJCPFBMQRME-UHFFFAOYSA-N 2 0 326.441 -0.541 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000911370413 650176103 /nfs/dbraw/zinc/17/61/03/650176103.db2.gz ZFOWSLZTKICZHT-AAVRWANBSA-N 2 0 326.441 -0.674 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000911375605 650176734 /nfs/dbraw/zinc/17/67/34/650176734.db2.gz ZTNPHWITZKNXRV-QLFBSQMISA-N 2 0 338.452 -0.719 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000911375389 650176827 /nfs/dbraw/zinc/17/68/27/650176827.db2.gz VYHLOZLGAWFVFT-VNHYZAJKSA-N 2 0 338.452 -0.578 20 0 EBADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000911403790 650178747 /nfs/dbraw/zinc/17/87/47/650178747.db2.gz UHKYLNVJLXMRFA-YVEFUNNKSA-N 2 0 331.420 -0.168 20 0 EBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911412145 650179668 /nfs/dbraw/zinc/17/96/68/650179668.db2.gz ZSHWYEVQNDIIMZ-UHFFFAOYSA-N 2 0 339.484 -0.532 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1)C[NH+](C)C ZINC000911433080 650183048 /nfs/dbraw/zinc/18/30/48/650183048.db2.gz BISSZYQRMYYGDC-KGLIPLIRSA-N 2 0 328.457 -0.201 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1)C[NH+](C)C ZINC000911432971 650183214 /nfs/dbraw/zinc/18/32/14/650183214.db2.gz ACYKBNOEYWQZRD-CYBMUJFWSA-N 2 0 344.456 -0.964 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)C[NH+](C)C ZINC000911434965 650183409 /nfs/dbraw/zinc/18/34/09/650183409.db2.gz LASZLKPJFVUJQT-GBJTYRQASA-N 2 0 340.468 -0.345 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]2)CC1)C[NH+](C)C ZINC000911435368 650183428 /nfs/dbraw/zinc/18/34/28/650183428.db2.gz LYESAAIAQAXZJF-CYBMUJFWSA-N 2 0 326.441 -0.576 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CC[C@]2(C1)CCCC[NH2+]2)C[NH+](C)C ZINC000911433914 650183522 /nfs/dbraw/zinc/18/35/22/650183522.db2.gz DZSWOACICFJURN-YOEHRIQHSA-N 2 0 340.468 -0.186 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH2+]C)C[NH+](C)C ZINC000911434794 650183534 /nfs/dbraw/zinc/18/35/34/650183534.db2.gz JETBLXBAWXWZAL-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC(C[NH2+]C)CC1)C[NH+](C)C ZINC000911435595 650183940 /nfs/dbraw/zinc/18/39/40/650183940.db2.gz NMAHBDADFNJNJK-CQSZACIVSA-N 2 0 328.457 -0.473 20 0 EBADRP CN(C(=O)C(=O)NCC1([NH3+])CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000911506602 650189101 /nfs/dbraw/zinc/18/91/01/650189101.db2.gz POORWSFQIASEGE-CQSZACIVSA-N 2 0 337.468 -0.779 20 0 EBADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911520200 650189823 /nfs/dbraw/zinc/18/98/23/650189823.db2.gz FSKCJKQYFAPBNU-ZDUSSCGKSA-N 2 0 328.457 -0.425 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911528444 650190577 /nfs/dbraw/zinc/19/05/77/650190577.db2.gz ONQFJTXMJGASDO-KBPBESRZSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)CCO1 ZINC000911532224 650191003 /nfs/dbraw/zinc/19/10/03/650191003.db2.gz KRWJBTWRFWMUPI-CHWSQXEVSA-N 2 0 326.441 -0.591 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCO1 ZINC000911544871 650192241 /nfs/dbraw/zinc/19/22/41/650192241.db2.gz GMXLEQDXKZQCFP-GBJTYRQASA-N 2 0 338.452 -0.435 20 0 EBADRP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911546994 650192601 /nfs/dbraw/zinc/19/26/01/650192601.db2.gz TVLZANGFBIJCIG-QRTUWBSPSA-N 2 0 336.436 -0.947 20 0 EBADRP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911551911 650193212 /nfs/dbraw/zinc/19/32/12/650193212.db2.gz TVLZANGFBIJCIG-SEBNEYGDSA-N 2 0 336.436 -0.947 20 0 EBADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000911563364 650193976 /nfs/dbraw/zinc/19/39/76/650193976.db2.gz KFJHOJOWNFPDIX-MGPQQGTHSA-N 2 0 331.420 -0.028 20 0 EBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(F)(F)C2CC[NH2+]CC2)C1 ZINC000911731949 650196464 /nfs/dbraw/zinc/19/64/64/650196464.db2.gz ZUXRCPFUHRVRCX-NSHDSACASA-N 2 0 332.395 -0.065 20 0 EBADRP C[NH+](C)CCN1CCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1=O ZINC000911875118 650197903 /nfs/dbraw/zinc/19/79/03/650197903.db2.gz QOPYEUCCFQXCBU-MRXNPFEDSA-N 2 0 326.441 -0.934 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)C[C@H]1C[NH+](C)C ZINC000913437139 650233398 /nfs/dbraw/zinc/23/33/98/650233398.db2.gz OVXVCVBVMGHACI-PNBKFKSVSA-N 3 0 326.485 -0.361 20 0 EBADRP O=C(CSCC(=O)NC12CC[NH+](CC1)C2)NC12CC[NH+](CC1)C2 ZINC000913629520 650241711 /nfs/dbraw/zinc/24/17/11/650241711.db2.gz BYXBJRPDOZJYSU-UHFFFAOYSA-N 2 0 338.477 -0.352 20 0 EBADRP C[NH+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000913740672 650244649 /nfs/dbraw/zinc/24/46/49/650244649.db2.gz CUXCYXBCXFCBBZ-KKUMJFAQSA-N 2 0 338.452 -0.482 20 0 EBADRP CCO[C@@H](CNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)C[NH+](C)C ZINC000917224086 650281045 /nfs/dbraw/zinc/28/10/45/650281045.db2.gz PXBUKANOINVZTM-GJZGRUSLSA-N 2 0 329.489 -0.112 20 0 EBADRP C[N@@H+]1CC[C@@H]1CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000922872724 650334911 /nfs/dbraw/zinc/33/49/11/650334911.db2.gz NMTLVWOJOVZAOR-OAHLLOKOSA-N 2 0 339.484 -0.214 20 0 EBADRP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000923397984 650338584 /nfs/dbraw/zinc/33/85/84/650338584.db2.gz HTGJSHAUGFKELB-VRKREXBASA-N 2 0 334.468 -0.151 20 0 EBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COC[C@H]2CCCO2)C1 ZINC000923282592 650337474 /nfs/dbraw/zinc/33/74/74/650337474.db2.gz WARBKWVVBNCISF-QLFBSQMISA-N 2 0 329.441 -0.670 20 0 EBADRP COCCN(C)C[C@H](O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923281866 650337829 /nfs/dbraw/zinc/33/78/29/650337829.db2.gz IFPGRJRXSMLKEC-HOTGVXAUSA-N 3 0 342.484 -0.931 20 0 EBADRP COc1ccc(CN2CCN(C(=O)CNC(C[NH3+])C[NH3+])CC2)cc1 ZINC000923354813 650338900 /nfs/dbraw/zinc/33/89/00/650338900.db2.gz URCIBQHSOUBABU-UHFFFAOYSA-N 2 0 335.452 -0.785 20 0 EBADRP COC[C@H](C)OC[C@@H](O)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923416271 650339432 /nfs/dbraw/zinc/33/94/32/650339432.db2.gz VACQPBAIVGZNGY-ZQNQSHIBSA-N 2 0 343.424 -0.734 20 0 EBADRP C[NH+](C)[C@@H](CNC(=O)CN1CCNCC[NH2+]CC1)c1ccccc1 ZINC000923460079 650341013 /nfs/dbraw/zinc/34/10/13/650341013.db2.gz PHZUUWQVVYMPQY-KRWDZBQOSA-N 2 0 333.480 -0.100 20 0 EBADRP CS(=O)(=O)N(CCN1CC[NH2+]CC[NH2+]CC1)Cc1ccccc1 ZINC000923460912 650341168 /nfs/dbraw/zinc/34/11/68/650341168.db2.gz XQDSNGQYEZLVRY-UHFFFAOYSA-N 2 0 340.493 -0.057 20 0 EBADRP CN(C)S(=O)(=O)c1cccc(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923466010 650341490 /nfs/dbraw/zinc/34/14/90/650341490.db2.gz HHVQKQJCARDHMJ-UHFFFAOYSA-N 2 0 326.466 -0.068 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@]([NH3+])(CO)C2)C1 ZINC000923476354 650341806 /nfs/dbraw/zinc/34/18/06/650341806.db2.gz CREIQJQSSJVHHI-NVXWUHKLSA-N 2 0 342.484 -0.755 20 0 EBADRP C[C@H]1C[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CC[C@@H]1C[NH3+] ZINC000923496441 650341933 /nfs/dbraw/zinc/34/19/33/650341933.db2.gz IILOSHZXMGMJLA-QWHCGFSZSA-N 2 0 334.486 -0.699 20 0 EBADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CC[C@@H](CC[NH3+])C1)c(=O)n2C ZINC000923481823 650342369 /nfs/dbraw/zinc/34/23/69/650342369.db2.gz MIIQMDPELLTTSZ-GFCCVEGCSA-N 2 0 334.424 -0.506 20 0 EBADRP O=C(CCN(Cc1ccccc1)[C@@H]1C[NH2+]C[C@H]1O)N1CC[NH2+]CC1 ZINC000923562289 650343606 /nfs/dbraw/zinc/34/36/06/650343606.db2.gz UPNMXZOMUYTBDB-IAGOWNOFSA-N 2 0 332.448 -0.357 20 0 EBADRP CN(C1CC[NH+](CCn2cccn2)CC1)S(=O)(=O)C1C[NH2+]C1 ZINC000923609002 650347274 /nfs/dbraw/zinc/34/72/74/650347274.db2.gz RONFXAJDRULDQW-UHFFFAOYSA-N 2 0 327.454 -0.419 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(S(=O)(=O)C3C[NH2+]C3)CC2)C1 ZINC000923613649 650347518 /nfs/dbraw/zinc/34/75/18/650347518.db2.gz ZMBXAQUGRFSNGW-CQSZACIVSA-N 2 0 346.497 -0.985 20 0 EBADRP O=S(=O)(NC1CCC(N2CC[NH2+]CC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000923648301 650350451 /nfs/dbraw/zinc/35/04/51/650350451.db2.gz WYDBJXUCGMFWFY-YMAMQOFZSA-N 2 0 330.498 -0.126 20 0 EBADRP C[N@@H+]1C[C@@H](O)C[C@@H]1CNC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000924987163 650370680 /nfs/dbraw/zinc/37/06/80/650370680.db2.gz LZLYMQCBVYEKNZ-KGLIPLIRSA-N 2 0 333.436 -0.372 20 0 EBADRP C[N@H+](CCO)CCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000925006770 650371633 /nfs/dbraw/zinc/37/16/33/650371633.db2.gz CPEDVDZBVRZCJL-UHFFFAOYSA-N 2 0 335.452 -0.366 20 0 EBADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000926287930 650384796 /nfs/dbraw/zinc/38/47/96/650384796.db2.gz NEEMMYLTXWKIBN-CQSZACIVSA-N 2 0 331.420 -0.073 20 0 EBADRP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000926308435 650385646 /nfs/dbraw/zinc/38/56/46/650385646.db2.gz GHTLDZSRGMTIEL-RHSMWYFYSA-N 2 0 338.452 -0.615 20 0 EBADRP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926339189 650387646 /nfs/dbraw/zinc/38/76/46/650387646.db2.gz DDIVEHFVSTXDES-LSDHHAIUSA-N 2 0 337.468 -0.907 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC[C@H]1C[NH3+] ZINC000926329687 650385911 /nfs/dbraw/zinc/38/59/11/650385911.db2.gz GZWAAQFZOAPMMJ-GJZGRUSLSA-N 3 0 341.500 -0.619 20 0 EBADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000926322191 650386193 /nfs/dbraw/zinc/38/61/93/650386193.db2.gz DXNFPQNHRLJARC-QGZVFWFLSA-N 2 0 340.468 -0.369 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926331905 650386668 /nfs/dbraw/zinc/38/66/68/650386668.db2.gz URSOVEMNQNULAU-AWEZNQCLSA-N 3 0 327.473 -0.865 20 0 EBADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926338903 650387057 /nfs/dbraw/zinc/38/70/57/650387057.db2.gz AGSNSMPZFYJPMM-CKEIUWERSA-N 2 0 338.452 -0.616 20 0 EBADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926388761 650390966 /nfs/dbraw/zinc/39/09/66/650390966.db2.gz IPCUGJZPRUWZOI-MRXNPFEDSA-N 2 0 326.441 -0.757 20 0 EBADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCNCC[NH2+]CC2)c1 ZINC000927877905 651510929 /nfs/dbraw/zinc/51/09/29/651510929.db2.gz BQXAUFAEKBNJAN-UHFFFAOYSA-N 2 0 333.436 -0.292 20 0 EBADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)c1 ZINC000927883527 651511361 /nfs/dbraw/zinc/51/13/61/651511361.db2.gz AQUKPKHUIBJQRK-KRWDZBQOSA-N 2 0 334.420 -0.001 20 0 EBADRP C[C@@H]1[C@H](NC(=O)COCC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)CC[NH+]1C ZINC000928448274 651521232 /nfs/dbraw/zinc/52/12/32/651521232.db2.gz NODZUBNVHPWPNQ-KPWCQOOUSA-N 2 0 326.441 -0.579 20 0 EBADRP C[C@@H]1[C@H](NC(=O)COCC(=O)N[C@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1C ZINC000928448275 651521568 /nfs/dbraw/zinc/52/15/68/651521568.db2.gz NODZUBNVHPWPNQ-SYQHCUMBSA-N 2 0 326.441 -0.579 20 0 EBADRP C[C@H](CNC(=O)CN1CCC[N@H+](C)CC1)N1CCC[NH+](C)CC1 ZINC000929216236 651538226 /nfs/dbraw/zinc/53/82/26/651538226.db2.gz AYFROXLWSWJTQY-MRXNPFEDSA-N 2 0 325.501 -0.234 20 0 EBADRP CC(=O)N1CCN(C(=O)[C@@H](C)[NH+]2CCC(O)(C[NH+](C)C)CC2)CC1 ZINC000931486512 651634474 /nfs/dbraw/zinc/63/44/74/651634474.db2.gz SKFFWPDTUGGLOD-CQSZACIVSA-N 2 0 340.468 -0.546 20 0 EBADRP C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931485570 651634490 /nfs/dbraw/zinc/63/44/90/651634490.db2.gz NJHMUEACNQHQMQ-UONOGXRCSA-N 2 0 340.468 -0.513 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)C[NH+](C)C ZINC000932465271 651680706 /nfs/dbraw/zinc/68/07/06/651680706.db2.gz FCXRPOGTHMLXQI-RRFJBIMHSA-N 2 0 340.468 -0.378 20 0 EBADRP CC(C)[C@H](C(=O)N1CCN(C2C[NH+](C[C@H](C)O)C2)CC1)[NH+](C)C ZINC000941553142 652800113 /nfs/dbraw/zinc/80/01/13/652800113.db2.gz MATOVRZLPJBENM-GOEBONIOSA-N 2 0 326.485 -0.218 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CN(C(=O)CCc3ncc[nH]3)CCO2)C1 ZINC000944597173 652897204 /nfs/dbraw/zinc/89/72/04/652897204.db2.gz PNLADLACURNGLE-UONOGXRCSA-N 2 0 349.435 -0.362 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC000939550598 653004561 /nfs/dbraw/zinc/00/45/61/653004561.db2.gz MOTVHHNAQZAFHG-ZIAGYGMSSA-N 2 0 348.447 -0.332 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CCN1C(=O)CCC1=O ZINC000939759479 653041399 /nfs/dbraw/zinc/04/13/99/653041399.db2.gz PXXPFFMCISFUJG-ZIAGYGMSSA-N 2 0 336.436 -0.332 20 0 EBADRP CC[C@@H](C(=O)N1CCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC000944710822 653180028 /nfs/dbraw/zinc/18/00/28/653180028.db2.gz KBPMYTGAFVRRRA-QLFBSQMISA-N 2 0 340.468 -0.236 20 0 EBADRP CN1CC[C@H]([NH2+]CC2(O)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC000946918207 653261732 /nfs/dbraw/zinc/26/17/32/653261732.db2.gz FNVZLTGXFWZOKV-KBPBESRZSA-N 2 0 338.452 -0.746 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+][C@@H]2CCCNC2=O)CC1 ZINC000946918433 653262292 /nfs/dbraw/zinc/26/22/92/653262292.db2.gz JYEZKFQZWUMRRZ-ZIAGYGMSSA-N 2 0 338.452 -0.698 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000949183502 653825101 /nfs/dbraw/zinc/82/51/01/653825101.db2.gz BXYLEQLQIPZNLH-RBSFLKMASA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCOC2(CC[NH+](CCO)CC2)C1 ZINC000949189575 653826688 /nfs/dbraw/zinc/82/66/88/653826688.db2.gz ZLBZALLUILRLIE-CABCVRRESA-N 2 0 325.453 -0.130 20 0 EBADRP C[N@@H+]1CCO[C@H]2CN(c3ncccc3C(=O)N3CC[NH2+]CC3)C[C@@H]21 ZINC001164672453 719409966 /nfs/dbraw/zinc/40/99/66/719409966.db2.gz RSITXKHORVIIRB-GJZGRUSLSA-N 2 0 331.420 -0.354 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000955352822 720139504 /nfs/dbraw/zinc/13/95/04/720139504.db2.gz YKKRAVIXTLDKNT-UKRRQHHQSA-N 2 0 334.464 -0.051 20 0 EBADRP CN(C(=O)C[NH+]1CCCC1)[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC000958851681 722619544 /nfs/dbraw/zinc/61/95/44/722619544.db2.gz CTUQBRTWIJCKBI-ILXRZTDVSA-N 2 0 338.452 -0.936 20 0 EBADRP C[NH+](C)C1(C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)CCC1 ZINC001018962935 728757168 /nfs/dbraw/zinc/75/71/68/728757168.db2.gz QXIOFRNUBSYBSO-ZDUSSCGKSA-N 2 0 336.436 -0.190 20 0 EBADRP NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000960267811 722812325 /nfs/dbraw/zinc/81/23/25/722812325.db2.gz ORCCISLFZFJROD-CTASWTNQSA-N 2 0 336.436 -0.839 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)c1ccn2c[nH+]cc2c1 ZINC000960839869 722871809 /nfs/dbraw/zinc/87/18/09/722871809.db2.gz VJAAKCIIQQFJQZ-BARDWOONSA-N 2 0 325.372 -0.117 20 0 EBADRP C[N@H+](C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2)[C@H]1CCC(=O)NC1=O ZINC000960978089 722883844 /nfs/dbraw/zinc/88/38/44/722883844.db2.gz HFPCMFXJLNPFLL-KGLIPLIRSA-N 2 0 348.447 -0.190 20 0 EBADRP C[N@H+](C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2)[C@H]1CCC(=O)NC1=O ZINC000960978083 722883858 /nfs/dbraw/zinc/88/38/58/722883858.db2.gz HFPCMFXJLNPFLL-KBPBESRZSA-N 2 0 348.447 -0.190 20 0 EBADRP Cn1cc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)cn1 ZINC001019168408 728814066 /nfs/dbraw/zinc/81/40/66/728814066.db2.gz AOBYPHVJQOXFIA-PWFYPYPJSA-N 2 0 345.447 -0.026 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+][C@@H]1CCC(=O)NC1=O)C2 ZINC000963631189 723458699 /nfs/dbraw/zinc/45/86/99/723458699.db2.gz HBIZRKXGXQYKIG-DPTAPRKNSA-N 2 0 348.447 -0.097 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([NH2+]CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001019290109 728849158 /nfs/dbraw/zinc/84/91/58/728849158.db2.gz QRUOSIWHZJIAGU-KKUMJFAQSA-N 2 0 337.468 -0.068 20 0 EBADRP C[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC1 ZINC001019326184 728860009 /nfs/dbraw/zinc/86/00/09/728860009.db2.gz FOFVLQIDRASNIS-AWEZNQCLSA-N 2 0 336.436 -0.332 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001019381314 728875232 /nfs/dbraw/zinc/87/52/32/728875232.db2.gz FNVQYJHPZCIMIY-OLZOCXBDSA-N 2 0 337.424 -0.787 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001019381815 728875997 /nfs/dbraw/zinc/87/59/97/728875997.db2.gz WHSXBGHEWYHBAB-KBPBESRZSA-N 2 0 336.436 -0.190 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@H]([NH2+]CCn3cncn3)C2)cn1 ZINC001019497071 728901175 /nfs/dbraw/zinc/90/11/75/728901175.db2.gz MLLMZMSXEWMMNS-HNNXBMFYSA-N 2 0 346.439 -0.460 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@H]([NH2+][C@H]3CCNC3=O)C2)cn1 ZINC001019497246 728901228 /nfs/dbraw/zinc/90/12/28/728901228.db2.gz PURRRKBKFYUXKL-KBPBESRZSA-N 2 0 334.424 -0.863 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC000968452548 725065561 /nfs/dbraw/zinc/06/55/61/725065561.db2.gz IHCRZEXZGYGTSI-ILXRZTDVSA-N 2 0 338.452 -0.890 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC000968701938 725105191 /nfs/dbraw/zinc/10/51/91/725105191.db2.gz AWTWTEFKTNOQOJ-HUUCEWRRSA-N 2 0 348.447 -0.332 20 0 EBADRP C[NH+](C)C1(C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)CCC1 ZINC000968907615 725127473 /nfs/dbraw/zinc/12/74/73/725127473.db2.gz PQMKUNGOYYKPSL-CQSZACIVSA-N 2 0 338.452 -0.480 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)C1CC1 ZINC000968912580 725128363 /nfs/dbraw/zinc/12/83/63/725128363.db2.gz LMLZTGCHKFBVGR-OCCSQVGLSA-N 2 0 337.424 -0.931 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1)[NH+](C)C ZINC000969090240 725150487 /nfs/dbraw/zinc/15/04/87/725150487.db2.gz QWVNWDBKBDQOHT-MCIONIFRSA-N 2 0 338.452 -0.890 20 0 EBADRP Cn1nccc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000969407759 725177130 /nfs/dbraw/zinc/17/71/30/725177130.db2.gz UNWMHRSAJZSMFG-DYDBFVOFSA-N 2 0 345.447 -0.026 20 0 EBADRP Cn1ccnc1CCC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC000969436231 725180345 /nfs/dbraw/zinc/18/03/45/725180345.db2.gz BEVBBKFYXXLIMW-CYBMUJFWSA-N 2 0 347.419 -0.308 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC000969949616 725231276 /nfs/dbraw/zinc/23/12/76/725231276.db2.gz WHSXBGHEWYHBAB-ZIAGYGMSSA-N 2 0 336.436 -0.190 20 0 EBADRP C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1C[NH+](CCN2CCNC2=O)C1 ZINC000969967699 725233120 /nfs/dbraw/zinc/23/31/20/725233120.db2.gz DTGLVBVHEWWCID-ZFWWWQNUSA-N 2 0 337.468 -0.068 20 0 EBADRP C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1C[NH+](CCN2CCNC2=O)C1 ZINC000969967580 725233155 /nfs/dbraw/zinc/23/31/55/725233155.db2.gz DTGLVBVHEWWCID-DZGCQCFKSA-N 2 0 337.468 -0.068 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1)[NH+](C)C ZINC000969985963 725235151 /nfs/dbraw/zinc/23/51/51/725235151.db2.gz PILBDGXWYRHLMY-KFWWJZLASA-N 2 0 340.468 -0.236 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)Cc3ncc[nH]3)[C@@H](O)C2)CC[N@@H+]1C ZINC000970094642 725249983 /nfs/dbraw/zinc/24/99/83/725249983.db2.gz UYOHADHDGKFYLP-DGAVXFQQSA-N 2 0 349.435 -0.630 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000970637007 725308094 /nfs/dbraw/zinc/30/80/94/725308094.db2.gz XLSQDMTYDMJWRY-ZNMIVQPWSA-N 2 0 338.452 -0.746 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H]([N@H+](C)[C@@H]3CCNC3=O)C2)n1 ZINC000971555651 725420960 /nfs/dbraw/zinc/42/09/60/725420960.db2.gz IDXZSDAOZKFMQZ-UKRRQHHQSA-N 2 0 348.451 -0.521 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC000971561220 725421599 /nfs/dbraw/zinc/42/15/99/725421599.db2.gz TYRXEOKAGLMGEL-FRRDWIJNSA-N 2 0 336.440 -0.519 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC000971563269 725421744 /nfs/dbraw/zinc/42/17/44/725421744.db2.gz LRMWFQVMOQEPSR-QLFBSQMISA-N 2 0 337.468 -0.116 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH+](C)CCN3CCNC3=O)C2)C1 ZINC000972336779 725500893 /nfs/dbraw/zinc/50/08/93/725500893.db2.gz ZTSKYRFOPOGDIZ-GJZGRUSLSA-N 2 0 337.468 -0.114 20 0 EBADRP C[C@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000972627603 725565348 /nfs/dbraw/zinc/56/53/48/725565348.db2.gz HSCFCPGQKJAKAC-OLZOCXBDSA-N 2 0 326.441 -0.496 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC000991717184 725569693 /nfs/dbraw/zinc/56/96/93/725569693.db2.gz GGYQQHBQNDPVFC-ZDUSSCGKSA-N 2 0 348.451 -0.663 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000991724667 725578674 /nfs/dbraw/zinc/57/86/74/725578674.db2.gz WDSAPVIYILDYNV-KBPBESRZSA-N 2 0 338.452 -0.767 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000991724671 725578782 /nfs/dbraw/zinc/57/87/82/725578782.db2.gz WDSAPVIYILDYNV-UONOGXRCSA-N 2 0 338.452 -0.767 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)C[NH+]3CCCC3)C2)C1 ZINC000991755382 725606130 /nfs/dbraw/zinc/60/61/30/725606130.db2.gz JRVSFFGUUARUED-HNNXBMFYSA-N 2 0 338.452 -0.482 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NC2CN(C(=O)C[NH+]3CCCC3)C2)cn1 ZINC000992022816 725703564 /nfs/dbraw/zinc/70/35/64/725703564.db2.gz MSDVZAXGEZWVHB-UHFFFAOYSA-N 2 0 348.451 -0.519 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC000992059586 725712489 /nfs/dbraw/zinc/71/24/89/725712489.db2.gz GPFQQFZRZPMFBV-CYBMUJFWSA-N 2 0 348.451 -0.663 20 0 EBADRP O=C(Cc1ncc[nH]1)N[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000973354430 725718006 /nfs/dbraw/zinc/71/80/06/725718006.db2.gz HOVWDTFEWWQFAG-SYQHCUMBSA-N 2 0 347.419 -0.421 20 0 EBADRP CN1CCO[C@@H](C(=O)N[C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000974000663 725844657 /nfs/dbraw/zinc/84/46/57/725844657.db2.gz SUNFKICIKBQDEK-APIJFGDWSA-N 2 0 338.452 -0.578 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1C ZINC000976284093 726253300 /nfs/dbraw/zinc/25/33/00/726253300.db2.gz KCZOCQHUUMSLJK-FWXGHANASA-N 2 0 334.464 -0.006 20 0 EBADRP Cn1nncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)CC1(C)C ZINC000995610334 726279515 /nfs/dbraw/zinc/27/95/15/726279515.db2.gz ZRPOXJLVWGMOJO-UONOGXRCSA-N 2 0 336.440 -0.528 20 0 EBADRP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C[C@@H]4CC[N@@H+](C)C4)C[C@H]32)C1 ZINC000976534624 726337785 /nfs/dbraw/zinc/33/77/85/726337785.db2.gz ALSSHGSRMFJKDL-NBFUAULTSA-N 2 0 334.464 -0.147 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC000976540949 726340778 /nfs/dbraw/zinc/34/07/78/726340778.db2.gz PHJNWDVVBVCIJR-RBZJEDDUSA-N 2 0 334.464 -0.149 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCCC2)C1 ZINC000976542159 726341340 /nfs/dbraw/zinc/34/13/40/726341340.db2.gz TYKPKKGIMDGDSI-BSXFFOKHSA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC000976542855 726341834 /nfs/dbraw/zinc/34/18/34/726341834.db2.gz XWFYSTQKMRATNX-NPCUJANDSA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCCC2)C1 ZINC000976546484 726343654 /nfs/dbraw/zinc/34/36/54/726343654.db2.gz MFJSFUQPQUQQHD-OIPACUDHSA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1C ZINC000976547231 726344029 /nfs/dbraw/zinc/34/40/29/726344029.db2.gz PKSAOSPIRFNXDR-UKRFAEJPSA-N 2 0 334.464 -0.149 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)CC[N@@H+]1C ZINC000976595086 726357299 /nfs/dbraw/zinc/35/72/99/726357299.db2.gz GZZPRIQLNAICJB-SUJAAXHWSA-N 2 0 346.475 -0.005 20 0 EBADRP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]CCN1CCNC1=O ZINC000996608622 726419938 /nfs/dbraw/zinc/41/99/38/726419938.db2.gz DFKCXTXLXMGAMA-AWEZNQCLSA-N 2 0 337.468 -0.066 20 0 EBADRP Cn1cnnc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000996618946 726420265 /nfs/dbraw/zinc/42/02/65/726420265.db2.gz HZMPSGQNIILWNZ-CABCVRRESA-N 2 0 348.451 -0.241 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)nc1=O ZINC000996663994 726421524 /nfs/dbraw/zinc/42/15/24/726421524.db2.gz CFCSCBFIAYINRQ-UHFFFAOYSA-N 2 0 336.440 -0.327 20 0 EBADRP CC[C@H](C(=O)N1CCC([NH2+]CCN2C(=O)CNC2=O)CC1)[NH+](C)C ZINC000996710203 726423474 /nfs/dbraw/zinc/42/34/74/726423474.db2.gz ADEBOWDESFUAOP-CYBMUJFWSA-N 2 0 339.440 -0.541 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC000996723302 726423915 /nfs/dbraw/zinc/42/39/15/726423915.db2.gz LEVQPLWFUWNWKV-KBPBESRZSA-N 2 0 336.436 -0.144 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC000997010548 726434764 /nfs/dbraw/zinc/43/47/64/726434764.db2.gz SGTVCAXAQZMNEN-AAEUAGOBSA-N 2 0 336.440 -0.613 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC000997053213 726436066 /nfs/dbraw/zinc/43/60/66/726436066.db2.gz HSSHWHUGRXJGJK-TYTGLVAOSA-N 2 0 348.447 -0.729 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC(NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC000997065965 726437107 /nfs/dbraw/zinc/43/71/07/726437107.db2.gz RGYVGWFZMBDRQQ-WFGSVCOBSA-N 2 0 348.447 -0.872 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCC(C[NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC000998269943 726483083 /nfs/dbraw/zinc/48/30/83/726483083.db2.gz RQKRTYQKUJJKHS-CQSZACIVSA-N 2 0 336.436 -0.284 20 0 EBADRP CN(C(=O)C12CCC[NH+]1CCC2)C1CC([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC000999050010 726505615 /nfs/dbraw/zinc/50/56/15/726505615.db2.gz HVDQONSKWZFHNO-RUXDESIVSA-N 2 0 348.447 -0.001 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC000999176459 726509941 /nfs/dbraw/zinc/50/99/41/726509941.db2.gz WNUSQLNOTZOWND-CVEARBPZSA-N 2 0 349.479 -0.066 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCOCC2)C1)[NH+](C)C ZINC000999488965 726520618 /nfs/dbraw/zinc/52/06/18/726520618.db2.gz IBVSONOVBYNMEQ-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000999831830 726534198 /nfs/dbraw/zinc/53/41/98/726534198.db2.gz MOVIVACAXBOLIE-HIFPTAJRSA-N 2 0 337.424 -0.931 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1)[NH+](C)C ZINC001000217597 726559932 /nfs/dbraw/zinc/55/99/32/726559932.db2.gz IBVSONOVBYNMEQ-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1)C(N)=O ZINC001000435636 726566972 /nfs/dbraw/zinc/56/69/72/726566972.db2.gz ZRUIFFNQIDHZLM-TZMCWYRMSA-N 2 0 336.440 -0.487 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1)C(N)=O ZINC001000572312 726571574 /nfs/dbraw/zinc/57/15/74/726571574.db2.gz NRFHUDCDIHTICI-CHWSQXEVSA-N 2 0 326.441 -0.448 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001000922019 726583980 /nfs/dbraw/zinc/58/39/80/726583980.db2.gz ZWPKZLALDXYUQJ-AWEZNQCLSA-N 2 0 336.436 -0.188 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2=CC[NH+](CCN3CCNC3=O)CC2)C1 ZINC001001454766 726606822 /nfs/dbraw/zinc/60/68/22/726606822.db2.gz ZRVWMLURVCYTSC-OAHLLOKOSA-N 2 0 335.452 -0.288 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001001994199 726629303 /nfs/dbraw/zinc/62/93/03/726629303.db2.gz KRTPOBJMIZAJRQ-HOTGVXAUSA-N 2 0 334.464 -0.146 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001002083321 726631981 /nfs/dbraw/zinc/63/19/81/726631981.db2.gz JIZONRFWQKGXRC-JKSUJKDBSA-N 2 0 334.464 -0.146 20 0 EBADRP O=C(NCC1CN(C(=O)C23CC[NH+](CC2)C3)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001002088796 726632116 /nfs/dbraw/zinc/63/21/16/726632116.db2.gz QEKCHIRALUQGDC-INIZCTEOSA-N 2 0 346.475 -0.001 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001003160434 726662471 /nfs/dbraw/zinc/66/24/71/726662471.db2.gz POOLDVBSFZLZBF-UONOGXRCSA-N 2 0 336.436 -0.144 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC[NH+](CCN2CCNC2=O)CC1 ZINC001003633707 726682869 /nfs/dbraw/zinc/68/28/69/726682869.db2.gz HGZUCXKLEFNEOV-HIFRSBDPSA-N 2 0 337.468 -0.210 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](C[C@H](O)Cn3cccn3)CC2)C1 ZINC001004149085 726701494 /nfs/dbraw/zinc/70/14/94/726701494.db2.gz DREFRJGELZMANP-HOCLYGCPSA-N 2 0 335.452 -0.224 20 0 EBADRP CN(C(=O)C[NH+]1CCCC1)C1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001006407311 726768095 /nfs/dbraw/zinc/76/80/95/726768095.db2.gz MOAQRFDPYPUWDJ-CQSZACIVSA-N 2 0 336.436 -0.190 20 0 EBADRP O=C(N[C@H]1CCC[N@H+](CCN2CCNC2=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001007351969 726792708 /nfs/dbraw/zinc/79/27/08/726792708.db2.gz XOWPMFQFYCQKIM-HOTGVXAUSA-N 2 0 349.479 -0.066 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@H]32)C1 ZINC001009079267 726854171 /nfs/dbraw/zinc/85/41/71/726854171.db2.gz CQODNBIRVZYLHA-FPCVCCKLSA-N 2 0 346.475 -0.146 20 0 EBADRP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001009332174 726892512 /nfs/dbraw/zinc/89/25/12/726892512.db2.gz AWIOBMWHZZFTGK-IBEHDNSVSA-N 2 0 334.464 -0.005 20 0 EBADRP C[NH+]1CCC(CC(=O)N2CCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001051857373 735430245 /nfs/dbraw/zinc/43/02/45/735430245.db2.gz GIVASKLZITUCJI-HUUCEWRRSA-N 2 0 338.452 -0.576 20 0 EBADRP C[NH+]1CCC(CC(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001051857374 735430328 /nfs/dbraw/zinc/43/03/28/735430328.db2.gz GIVASKLZITUCJI-LSDHHAIUSA-N 2 0 338.452 -0.576 20 0 EBADRP O=C(N1CCN(C(=O)C23CC[NH+](CC2)C3)CC1)C12CC[NH+](CC1)C2 ZINC001011657542 727553631 /nfs/dbraw/zinc/55/36/31/727553631.db2.gz WOIJUWAGERUTKV-UHFFFAOYSA-N 2 0 332.448 -0.151 20 0 EBADRP Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CCO2)n1 ZINC001051904257 735455883 /nfs/dbraw/zinc/45/58/83/735455883.db2.gz FAHQPPODJJRFBF-HNNXBMFYSA-N 2 0 333.436 -0.167 20 0 EBADRP O=C(N[C@H]1CC[N@H+](CCn2cncn2)C1)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001015325586 728399464 /nfs/dbraw/zinc/39/94/64/728399464.db2.gz URHCINYDKKCDON-GWUWNPHMSA-N 2 0 346.435 -0.668 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC23CC[NH+](CC(N)=O)CC3)cn1 ZINC001016870963 728519237 /nfs/dbraw/zinc/51/92/37/728519237.db2.gz USJXEEXSWPVTTO-AWEZNQCLSA-N 2 0 348.451 -0.486 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC23CC[NH+](CCN2CCNC2=O)CC3)C1 ZINC001016969193 728534553 /nfs/dbraw/zinc/53/45/53/728534553.db2.gz KECFNHYYYBKCGZ-LSDHHAIUSA-N 2 0 349.479 -0.066 20 0 EBADRP C[NH+]1CCC(CC(=O)N2CC[C@@H](N3CC[NH+](CCO)CC3)C2)CC1 ZINC001052092483 735541678 /nfs/dbraw/zinc/54/16/78/735541678.db2.gz FSAMXWNYLZHJCX-QGZVFWFLSA-N 2 0 338.496 -0.071 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001019654810 728964284 /nfs/dbraw/zinc/96/42/84/728964284.db2.gz DCVGUMKCHJPROA-KBPBESRZSA-N 2 0 336.436 -0.332 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001019779062 728989265 /nfs/dbraw/zinc/98/92/65/728989265.db2.gz KCQCHQWEWKNNIV-KGLIPLIRSA-N 2 0 336.440 -0.526 20 0 EBADRP O=C(N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001020162647 729088879 /nfs/dbraw/zinc/08/88/79/729088879.db2.gz PJYNXIVVCMBLPA-MGPQQGTHSA-N 2 0 349.435 -0.883 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001020172301 729089717 /nfs/dbraw/zinc/08/97/17/729089717.db2.gz WPNJNXMFGWLJKB-AAVRWANBSA-N 2 0 336.436 -0.288 20 0 EBADRP Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001020178651 729091564 /nfs/dbraw/zinc/09/15/64/729091564.db2.gz ANKXNJKCSYTYBO-PWNZVWSESA-N 2 0 334.424 -0.585 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1)C(N)=O ZINC001020235778 729110032 /nfs/dbraw/zinc/11/00/32/729110032.db2.gz DIGOYUUPZFKGHB-BHPKHCPMSA-N 2 0 338.452 -0.260 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCn4cncc4C3)C2)nc1=O ZINC001020308718 729129243 /nfs/dbraw/zinc/12/92/43/729129243.db2.gz NFVQFTZDOAIBHF-SRVKXCTJSA-N 2 0 345.407 -0.696 20 0 EBADRP C[C@@H](N[C@H]1C[C@H](NC(=O)[C@H]2CCn3cncc3C2)C1)c1nnnn1C ZINC001020308644 729129373 /nfs/dbraw/zinc/12/93/73/729129373.db2.gz KTWJRDLDXBUNTB-YVECIDJPSA-N 2 0 344.423 -0.033 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]([NH2+]Cc3nnc4n3CCOC4)C2)C1 ZINC001020589183 729205440 /nfs/dbraw/zinc/20/54/40/729205440.db2.gz YNDFWDQUQABXRW-IHRRRGAJSA-N 2 0 348.451 -0.113 20 0 EBADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001020603821 729209441 /nfs/dbraw/zinc/20/94/41/729209441.db2.gz NYQCPUVHUQHSGA-DDHJBXDOSA-N 2 0 345.407 -0.618 20 0 EBADRP O=C(N[C@H]1C[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1)C12CC[NH+](CC1)C2 ZINC001020934624 729258468 /nfs/dbraw/zinc/25/84/68/729258468.db2.gz WMFFARSQQQIKBK-IHRRRGAJSA-N 2 0 341.477 -0.246 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001021895199 729344460 /nfs/dbraw/zinc/34/44/60/729344460.db2.gz IFNWPWLHHWXRBS-FRRDWIJNSA-N 2 0 334.424 -0.361 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)CCO1 ZINC001021906287 729345006 /nfs/dbraw/zinc/34/50/06/729345006.db2.gz KBNSYANVDZAIPG-KBXIAJHMSA-N 2 0 338.452 -0.435 20 0 EBADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)CC1 ZINC001022098836 729454864 /nfs/dbraw/zinc/45/48/64/729454864.db2.gz SQXIMOZPGIZXQV-QXSJWSMHSA-N 2 0 325.453 -0.038 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnc4n3CCOC4)C2)CC[N@@H+]1C ZINC001022105251 729455811 /nfs/dbraw/zinc/45/58/11/729455811.db2.gz WFPVDWSONMOTRX-YIYPIFLZSA-N 2 0 348.451 -0.115 20 0 EBADRP O=C(N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001022118945 729457104 /nfs/dbraw/zinc/45/71/04/729457104.db2.gz AYIUDVDCPDKZQY-QKPAOTATSA-N 2 0 333.436 -0.017 20 0 EBADRP Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)[nH]1 ZINC001022120147 729457795 /nfs/dbraw/zinc/45/77/95/729457795.db2.gz LGLDWPJAOQPKGH-RFQIPJPRSA-N 2 0 334.424 -0.287 20 0 EBADRP CCn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)nn1 ZINC001022120141 729457836 /nfs/dbraw/zinc/45/78/36/729457836.db2.gz LDYCDTGQDLHMOQ-CLWVCHIJSA-N 2 0 348.451 -0.102 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCc4cncn4C3)C2)nc1=O ZINC001022309643 729476647 /nfs/dbraw/zinc/47/66/47/729476647.db2.gz FHCAVEYYZLOJNT-SDDRHHMPSA-N 2 0 345.407 -0.696 20 0 EBADRP Cc1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)[nH]1 ZINC001022455182 729495461 /nfs/dbraw/zinc/49/54/61/729495461.db2.gz KASVRXFNPLLFRM-QGJIUJSSSA-N 2 0 346.435 -0.287 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)nc1=O ZINC001022490774 729499522 /nfs/dbraw/zinc/49/95/22/729499522.db2.gz PFRPOKALAFMVNL-VNHYZAJKSA-N 2 0 348.451 -0.280 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnc4n3CCOC4)C2)CC1 ZINC001022646731 729521055 /nfs/dbraw/zinc/52/10/55/729521055.db2.gz TWTSCSUKWJLHOK-OKILXGFUSA-N 2 0 348.451 -0.113 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001022715918 729524365 /nfs/dbraw/zinc/52/43/65/729524365.db2.gz ODJNMHYVZCTYHU-KFWWJZLASA-N 2 0 338.452 -0.576 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001023084200 729598113 /nfs/dbraw/zinc/59/81/13/729598113.db2.gz KCLGKKWTNKIBLR-TUVASFSCSA-N 2 0 343.493 0.000 20 0 EBADRP C[N@H+](CC(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1)C1CCC1 ZINC001023795836 729800734 /nfs/dbraw/zinc/80/07/34/729800734.db2.gz UPSVDRJKGONIID-HUUCEWRRSA-N 2 0 338.452 -0.746 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nc1=O ZINC001023890044 729812496 /nfs/dbraw/zinc/81/24/96/729812496.db2.gz VKUIXIKVDHHMLG-STQMWFEESA-N 2 0 336.440 -0.469 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)nc1=O ZINC001024238740 729864918 /nfs/dbraw/zinc/86/49/18/729864918.db2.gz PDSLKBZVJPYYBX-ZDUSSCGKSA-N 2 0 348.451 -0.468 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)nc1=O ZINC001024238735 729865045 /nfs/dbraw/zinc/86/50/45/729865045.db2.gz PDSLKBZVJPYYBX-CYBMUJFWSA-N 2 0 348.451 -0.468 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCC[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001024267267 729868070 /nfs/dbraw/zinc/86/80/70/729868070.db2.gz ADYWZVIFUHNOKB-KBPBESRZSA-N 2 0 336.436 -0.284 20 0 EBADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908416 730104918 /nfs/dbraw/zinc/10/49/18/730104918.db2.gz JOEXZRLRDSDRQE-HZSDHTGHSA-N 2 0 348.447 -0.840 20 0 EBADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001025908690 730105040 /nfs/dbraw/zinc/10/50/40/730105040.db2.gz UXJBHTLTEVQYLR-OJHHVDFHSA-N 2 0 348.447 -0.970 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001025926238 730108893 /nfs/dbraw/zinc/10/88/93/730108893.db2.gz JZLYQYZIVQFFEN-ZVDSWSACSA-N 2 0 332.448 -0.204 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)C1 ZINC001026140372 730124174 /nfs/dbraw/zinc/12/41/74/730124174.db2.gz KLQDUMVNIZODRU-LVYCXYHQSA-N 2 0 334.420 -0.820 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C[C@@H]4CCc5ncnn54)C[C@H]32)C1 ZINC001026145873 730125682 /nfs/dbraw/zinc/12/56/82/730125682.db2.gz SYVMGSDFYKGTFI-AQRJEWBLSA-N 2 0 330.436 -0.237 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001026148538 730126128 /nfs/dbraw/zinc/12/61/28/730126128.db2.gz OPAHQEDUMKLHFY-LFPSSSAGSA-N 2 0 349.479 -0.069 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2C[C@@H]3CC[C@@H]([NH2+]CCO)[C@@H]3C2)CC1 ZINC001026389767 730142765 /nfs/dbraw/zinc/14/27/65/730142765.db2.gz HPIJSJFZMKDTHW-NUEKZKHPSA-N 2 0 325.453 -0.084 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC2CCC([NH2+]CC(N)=O)CC2)n1 ZINC001026496253 730147157 /nfs/dbraw/zinc/14/71/57/730147157.db2.gz SQJRZHBRSLIISK-UHFFFAOYSA-N 2 0 336.440 -0.439 20 0 EBADRP C[N@H+](CC(=O)N1CC[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC001026889104 730167164 /nfs/dbraw/zinc/16/71/64/730167164.db2.gz SJJGJGBFSMDEPK-TZMCWYRMSA-N 2 0 336.436 -0.286 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3nnnn3C3CC3)C2)C1 ZINC001027214951 730199799 /nfs/dbraw/zinc/19/97/99/730199799.db2.gz AUGSNHQPGWAGJG-OLZOCXBDSA-N 2 0 333.440 -0.102 20 0 EBADRP CCCn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001027215646 730199855 /nfs/dbraw/zinc/19/98/55/730199855.db2.gz KSIXFMZVNRHECO-UONOGXRCSA-N 2 0 335.456 -0.027 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCN1C(=O)CNC1=O ZINC001027790313 730238798 /nfs/dbraw/zinc/23/87/98/730238798.db2.gz QIMYLSFSWQKTDI-QWHCGFSZSA-N 2 0 337.424 -0.787 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCN1C(=O)CCC1=O ZINC001027790700 730238926 /nfs/dbraw/zinc/23/89/26/730238926.db2.gz USUNNRUDDNUPLX-UONOGXRCSA-N 2 0 336.436 -0.190 20 0 EBADRP O=C(NC[C@@H]1CCC[N@@H+]1CCN1CCNC1=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001027886272 730245790 /nfs/dbraw/zinc/24/57/90/730245790.db2.gz QPJMOPKMGVCMLQ-JKSUJKDBSA-N 2 0 349.479 -0.066 20 0 EBADRP O=C(NC[C@@H]1CCC[N@@H+]1CCN1C(=O)CCC1=O)C12CC[NH+](CC1)C2 ZINC001028267346 730278843 /nfs/dbraw/zinc/27/88/43/730278843.db2.gz IHHWVWAMCMUDRK-AWEZNQCLSA-N 2 0 348.447 -0.188 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCN2CCNC2=O)C1 ZINC001028636210 730328080 /nfs/dbraw/zinc/32/80/80/730328080.db2.gz MCVZECCDBGTMJX-LSDHHAIUSA-N 2 0 337.468 -0.066 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001028778880 730356114 /nfs/dbraw/zinc/35/61/14/730356114.db2.gz NNQDTXVMUQVRBL-JSGCOSHPSA-N 2 0 336.436 -0.429 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NC[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)cn1 ZINC001028857287 730363257 /nfs/dbraw/zinc/36/32/57/730363257.db2.gz VJOCVGIXNZVLAU-UKRRQHHQSA-N 2 0 348.451 -0.615 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001028856944 730363519 /nfs/dbraw/zinc/36/35/19/730363519.db2.gz RPURPBNIOXMYLT-ZDUSSCGKSA-N 2 0 336.440 -0.758 20 0 EBADRP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCO ZINC001029399904 730403125 /nfs/dbraw/zinc/40/31/25/730403125.db2.gz WUVKASBVXFXGMD-OWQJAQGESA-N 2 0 335.448 -0.093 20 0 EBADRP C[N@H+](C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)[C@H]1CCC(=O)NC1=O ZINC001029887358 730519234 /nfs/dbraw/zinc/51/92/34/730519234.db2.gz BEHARTQWSQZXGH-KBPBESRZSA-N 2 0 348.447 -0.332 20 0 EBADRP O=C(NCC1C[NH+](CCn2cncn2)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001031688497 730750588 /nfs/dbraw/zinc/75/05/88/730750588.db2.gz GMGSERNIIJSDQE-LSDHHAIUSA-N 2 0 334.424 -0.811 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCn3cncn3)C2)C1 ZINC001031922495 730792714 /nfs/dbraw/zinc/79/27/14/730792714.db2.gz FEOXFYNUSRRZPY-OAHLLOKOSA-N 2 0 336.440 -0.565 20 0 EBADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001033592504 731044938 /nfs/dbraw/zinc/04/49/38/731044938.db2.gz HWICZXSIKQHULF-CQSZACIVSA-N 2 0 348.447 -0.236 20 0 EBADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001033596363 731045431 /nfs/dbraw/zinc/04/54/31/731045431.db2.gz YQWDMVUDUNWLDP-AWEZNQCLSA-N 2 0 335.452 -0.360 20 0 EBADRP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001034040466 731099380 /nfs/dbraw/zinc/09/93/80/731099380.db2.gz UDKZNZSFWVIQLI-GJZGRUSLSA-N 2 0 337.468 -0.114 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCC[NH+](CCN3CCNC3=O)C2)C1 ZINC001034526092 731138295 /nfs/dbraw/zinc/13/82/95/731138295.db2.gz UEAYHIWYBVYACT-GJZGRUSLSA-N 2 0 337.468 -0.066 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001035020302 731178103 /nfs/dbraw/zinc/17/81/03/731178103.db2.gz ULNOJYRBKWXKST-MCIONIFRSA-N 2 0 336.436 -0.144 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CCCN2C(=O)C2CC[NH+](C)CC2)nc1=O ZINC001035036725 731180019 /nfs/dbraw/zinc/18/00/19/731180019.db2.gz ROLUYHCYSAIMHQ-CYBMUJFWSA-N 2 0 336.440 -0.469 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001040105330 731601773 /nfs/dbraw/zinc/60/17/73/731601773.db2.gz YBNALLDVSJKPBZ-PBHICJAKSA-N 2 0 340.468 -0.642 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001040146381 731622137 /nfs/dbraw/zinc/62/21/37/731622137.db2.gz FUUJBZBQFRMTLR-KRWDZBQOSA-N 2 0 340.468 -0.498 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001040494972 731758481 /nfs/dbraw/zinc/75/84/81/731758481.db2.gz HEIQPPQMNREVIT-PBHICJAKSA-N 2 0 340.468 -0.500 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001040796175 731878017 /nfs/dbraw/zinc/87/80/17/731878017.db2.gz UEWSZUDUUABHSF-CZUORRHYSA-N 2 0 326.441 -0.888 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001040903007 731911988 /nfs/dbraw/zinc/91/19/88/731911988.db2.gz WFCSYUUEDBIMHT-WMLDXEAASA-N 2 0 340.468 -0.641 20 0 EBADRP O=C([C@H]1C[NH+]2CC3CC2(C3)CO1)N1CC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001041489340 732139643 /nfs/dbraw/zinc/13/96/43/732139643.db2.gz UEFACJAJTPERAC-AUCMRZJMSA-N 2 0 335.448 -0.234 20 0 EBADRP O=C(N1CC[C@@]2(CC[N@@H+]([C@H]3CCNC3=O)C2)C1)C12CC[NH+](CC1)C2 ZINC001041788979 732226690 /nfs/dbraw/zinc/22/66/90/732226690.db2.gz KWJPMFQHTLFBMD-WMLDXEAASA-N 2 0 332.448 -0.105 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001061595280 738634594 /nfs/dbraw/zinc/63/45/94/738634594.db2.gz GXMNQQFYRPTGAS-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001043119890 732769927 /nfs/dbraw/zinc/76/99/27/732769927.db2.gz GMUMSYYEWPRKKX-KGLIPLIRSA-N 2 0 338.452 -0.888 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)CC1 ZINC001043124849 732773343 /nfs/dbraw/zinc/77/33/43/732773343.db2.gz WUYKPYUPBSDGOO-UHFFFAOYSA-N 2 0 338.452 -0.887 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC001061603487 738644436 /nfs/dbraw/zinc/64/44/36/738644436.db2.gz AWQKMKYIRFBCOV-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001043158433 732795264 /nfs/dbraw/zinc/79/52/64/732795264.db2.gz YFJASVQKXTZHIN-CYBMUJFWSA-N 2 0 326.441 -0.888 20 0 EBADRP CC(C)[C@H](C(=O)N1CC(O)(CNC(=O)C[N@H+](C)C(C)C)C1)[NH+](C)C ZINC001043429481 732934713 /nfs/dbraw/zinc/93/47/13/732934713.db2.gz CRDGJDMSUHPHMZ-OAHLLOKOSA-N 2 0 342.484 -0.398 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001043431373 732935803 /nfs/dbraw/zinc/93/58/03/732935803.db2.gz QYNJUOCXSKUKKB-CQSZACIVSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1)[NH+](C)C ZINC001043463191 732955117 /nfs/dbraw/zinc/95/51/17/732955117.db2.gz LTWZKNPEPYDFLD-UONOGXRCSA-N 2 0 340.468 -0.644 20 0 EBADRP CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1)[NH+](C)C ZINC001043468243 732958563 /nfs/dbraw/zinc/95/85/63/732958563.db2.gz DBDVTPMNQJCYLV-KBPBESRZSA-N 2 0 342.484 -0.398 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC1(O)CN(C(=O)C[NH+](C)C(C)C)C1 ZINC001043612579 733023448 /nfs/dbraw/zinc/02/34/48/733023448.db2.gz ICIQKMSBRLPVQT-UHFFFAOYSA-N 2 0 342.484 -0.254 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC1(O)CN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001043612159 733023536 /nfs/dbraw/zinc/02/35/36/733023536.db2.gz DFOJUKLCUQAVAE-ZDUSSCGKSA-N 2 0 340.468 -0.642 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC001061650775 738671268 /nfs/dbraw/zinc/67/12/68/738671268.db2.gz DDUGHPUHAHGSPU-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[C@H](C(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1)[NH+](C)C ZINC001043678969 733056586 /nfs/dbraw/zinc/05/65/86/733056586.db2.gz VNFGDMMUPUJJPF-ZIAGYGMSSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1)[NH+](C)C ZINC001043771754 733105933 /nfs/dbraw/zinc/10/59/33/733105933.db2.gz YGBHRFUHCHSIBI-KBPBESRZSA-N 2 0 340.468 -0.500 20 0 EBADRP Cc1cncn1CC(=O)NCC1(O)CN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001043909405 733192921 /nfs/dbraw/zinc/19/29/21/733192921.db2.gz IVNGCLKXBITCRO-UHFFFAOYSA-N 2 0 337.424 -0.779 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001044246624 733338340 /nfs/dbraw/zinc/33/83/40/733338340.db2.gz PIFLKYYAIYLZML-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001044251393 733340324 /nfs/dbraw/zinc/34/03/24/733340324.db2.gz KECLTGVARHTNRR-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)CCCCC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001044251651 733340580 /nfs/dbraw/zinc/34/05/80/733340580.db2.gz ORTTUDCUHSKSBS-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001061722903 738722787 /nfs/dbraw/zinc/72/27/87/738722787.db2.gz NTBAEACUJAPQBE-CQSZACIVSA-N 2 0 338.452 -0.623 20 0 EBADRP CN1CCO[C@H](C(=O)NC2(C)CCN(CC(=O)NC3CC3)CC2)C1 ZINC001045398151 733686741 /nfs/dbraw/zinc/68/67/41/733686741.db2.gz XORMMNRRNIKTOF-AWEZNQCLSA-N 2 0 338.452 -0.434 20 0 EBADRP C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)CCC[NH+](C)C)C1 ZINC001045413642 733690387 /nfs/dbraw/zinc/69/03/87/733690387.db2.gz UZJSFJVHNWVRQS-UHFFFAOYSA-N 2 0 328.457 -0.641 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045417608 733691413 /nfs/dbraw/zinc/69/14/13/733691413.db2.gz JXKLFYLONSSJPX-UONOGXRCSA-N 2 0 340.468 -0.785 20 0 EBADRP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001045713412 733757314 /nfs/dbraw/zinc/75/73/14/733757314.db2.gz GAXSOGRDDBLNBT-UHFFFAOYSA-N 2 0 338.452 -0.744 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2CCN([C@@H]3CC[NH+](CCO)C3)CC2)CC[N@@H+]1C ZINC001046032264 733816944 /nfs/dbraw/zinc/81/69/44/733816944.db2.gz HWLCIOPMIVBCRN-IXDOHACOSA-N 2 0 338.496 -0.073 20 0 EBADRP C[C@H](O)C[N@@H+]1CC[C@H](N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001046058836 733838513 /nfs/dbraw/zinc/83/85/13/733838513.db2.gz TZJBNRHNBOEAOT-RDJZCZTQSA-N 2 0 338.496 -0.073 20 0 EBADRP C[C@@H](O)C[N@@H+]1CC[C@H](N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001046076322 733850998 /nfs/dbraw/zinc/85/09/98/733850998.db2.gz LWYWVHMIWOMYAG-CVEARBPZSA-N 2 0 336.480 -0.319 20 0 EBADRP O=C(N1CCN([C@@H]2CC[N@@H+](CCCO)C2)CC1)C12CC[NH+](CC1)C2 ZINC001046076740 733851755 /nfs/dbraw/zinc/85/17/55/733851755.db2.gz POKOVMIJJQVSQN-MRXNPFEDSA-N 2 0 336.480 -0.317 20 0 EBADRP C[C@H](C(N)=O)[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001046082635 733855508 /nfs/dbraw/zinc/85/55/08/733855508.db2.gz UWPWDZOTTKDIOE-CABCVRRESA-N 2 0 337.468 -0.826 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@]2(C)CC[NH+](CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001046329809 733910427 /nfs/dbraw/zinc/91/04/27/733910427.db2.gz RZPCQJRTDZJNQI-CKEIUWERSA-N 2 0 337.468 -0.068 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001046530846 733955267 /nfs/dbraw/zinc/95/52/67/733955267.db2.gz DQJMGTLFAZCSGR-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)C1 ZINC001046683596 734001454 /nfs/dbraw/zinc/00/14/54/734001454.db2.gz COJVOGWMHBLSSO-KBPBESRZSA-N 2 0 340.468 -0.785 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001061829513 738773676 /nfs/dbraw/zinc/77/36/76/738773676.db2.gz SHQJVOTYNUTPBB-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061829152 738773761 /nfs/dbraw/zinc/77/37/61/738773761.db2.gz LAYNKJPOCRTGCI-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP COCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001047383589 734167385 /nfs/dbraw/zinc/16/73/85/734167385.db2.gz GPNJFPRSCCREAS-GJZGRUSLSA-N 2 0 339.440 -0.792 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001061859777 738789656 /nfs/dbraw/zinc/78/96/56/738789656.db2.gz ORRWWLNSVCONRA-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CN([C@H]2CCCNC2=O)C[C@@H]1O ZINC001047492257 734223559 /nfs/dbraw/zinc/22/35/59/734223559.db2.gz BHMPEIDRRPNCTG-AJNGGQMLSA-N 2 0 338.452 -0.747 20 0 EBADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001047598565 734275910 /nfs/dbraw/zinc/27/59/10/734275910.db2.gz PBTPRNFMUWLDHZ-GJZGRUSLSA-N 2 0 333.436 -0.518 20 0 EBADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C[NH2+]Cc1nnnn1C ZINC001048364831 734400870 /nfs/dbraw/zinc/40/08/70/734400870.db2.gz BBDGZIZBJZZIDK-OCCSQVGLSA-N 2 0 335.456 -0.264 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2COCCN2C(=O)CC[NH+](C)C)C1 ZINC001061907597 738810790 /nfs/dbraw/zinc/81/07/90/738810790.db2.gz KJWYWOIIJVRKHQ-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048443355 734419581 /nfs/dbraw/zinc/41/95/81/734419581.db2.gz YYHVOVCJGDUOKW-CHWSQXEVSA-N 2 0 348.451 -0.612 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001048443357 734419588 /nfs/dbraw/zinc/41/95/88/734419588.db2.gz YYHVOVCJGDUOKW-OLZOCXBDSA-N 2 0 348.451 -0.612 20 0 EBADRP C[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]2C1 ZINC001048824443 734526197 /nfs/dbraw/zinc/52/61/97/734526197.db2.gz DNWOSOFINDMBPB-MCIONIFRSA-N 2 0 348.451 -0.678 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2C1)C1CC1 ZINC001048863793 734543486 /nfs/dbraw/zinc/54/34/86/734543486.db2.gz LFTGILVQHPNHIK-XUWVNRHRSA-N 2 0 334.464 -0.005 20 0 EBADRP CN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)[C@H](C4CC4)[NH+](C)C)C[C@H]3C2)C1=O ZINC001048864382 734543869 /nfs/dbraw/zinc/54/38/69/734543869.db2.gz XNDLODNLWXOPQY-FZKCQIBNSA-N 2 0 334.464 -0.053 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@@H]2C1)C1CC1 ZINC001048863794 734543882 /nfs/dbraw/zinc/54/38/82/734543882.db2.gz LIOOUWHXPWONFS-CTASWTNQSA-N 2 0 348.447 -0.478 20 0 EBADRP CC[NH+](CC)CC(=O)N(C)[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1O ZINC001048876763 734552468 /nfs/dbraw/zinc/55/24/68/734552468.db2.gz OWTQECOHOLKNHT-GJZGRUSLSA-N 2 0 342.484 -0.302 20 0 EBADRP CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]1O)[NH+](C)C ZINC001049027605 734620068 /nfs/dbraw/zinc/62/00/68/734620068.db2.gz QZCNIVXWOSVOPI-QPSCCSFWSA-N 2 0 342.484 -0.303 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)C[C@@H]2C1)[NH+](C)C ZINC001049067334 734635065 /nfs/dbraw/zinc/63/50/65/734635065.db2.gz WLUPXKAQUATMIF-TWMKSMIVSA-N 2 0 349.479 -0.026 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[NH+](CCN4CCNC4=O)C[C@@H]3C2)C1 ZINC001049171576 734674840 /nfs/dbraw/zinc/67/48/40/734674840.db2.gz OSYBAPFHCMMALB-OAGGEKHMSA-N 2 0 349.479 -0.256 20 0 EBADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2C1 ZINC001049217658 734689336 /nfs/dbraw/zinc/68/93/36/734689336.db2.gz WUWIPRIMDRBLEU-GASCZTMLSA-N 2 0 335.452 -0.502 20 0 EBADRP CC[NH+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001049547571 734751251 /nfs/dbraw/zinc/75/12/51/734751251.db2.gz ASEOHXFVCCLTKF-GJZGRUSLSA-N 2 0 342.484 -0.300 20 0 EBADRP O=C([C@@H]1C[NH+]2CC3CC2(C3)CO1)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCO ZINC001049609968 734765428 /nfs/dbraw/zinc/76/54/28/734765428.db2.gz ILCQBXIBUAPBDU-YLADIXGZSA-N 2 0 335.448 -0.093 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC2(C1)CC[NH+]([C@H]1CCC(=O)NC1=O)CC2 ZINC001050756330 734954900 /nfs/dbraw/zinc/95/49/00/734954900.db2.gz WQKNLDXSSNADRT-AWEZNQCLSA-N 2 0 348.447 -0.188 20 0 EBADRP C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001051257885 735113997 /nfs/dbraw/zinc/11/39/97/735113997.db2.gz ASMMRVRSGKGRJH-LSDHHAIUSA-N 2 0 342.484 -0.131 20 0 EBADRP O=C(N1CC[C@@H](N2CC[NH+](CCCO)CC2)C1)C12CC[NH+](CC1)C2 ZINC001052108752 735551138 /nfs/dbraw/zinc/55/11/38/735551138.db2.gz QOXXHTDOHAEDTA-MRXNPFEDSA-N 2 0 336.480 -0.317 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001054297496 736187530 /nfs/dbraw/zinc/18/75/30/736187530.db2.gz LZRWRDMRTDTJOS-MCIONIFRSA-N 2 0 336.436 -0.144 20 0 EBADRP C[C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1[NH2+]CC(N)=O ZINC001054798345 736247582 /nfs/dbraw/zinc/24/75/82/736247582.db2.gz TUUFVZKIFWVUIE-QWHCGFSZSA-N 2 0 326.441 -0.733 20 0 EBADRP COCCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055485970 736353661 /nfs/dbraw/zinc/35/36/61/736353661.db2.gz MQNKLOLQCFAYTJ-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP COCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055496137 736357796 /nfs/dbraw/zinc/35/77/96/736357796.db2.gz DLHGSYBFPYXIOJ-UKRRQHHQSA-N 2 0 340.468 -0.330 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCNC(=O)c2cn[nH]c2)CC1 ZINC001055530448 736370069 /nfs/dbraw/zinc/37/00/69/736370069.db2.gz JXDUCQFPGSZTOX-OAHLLOKOSA-N 2 0 348.451 -0.186 20 0 EBADRP CSCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055578597 736391132 /nfs/dbraw/zinc/39/11/32/736391132.db2.gz QOQPGNLRGXUDLY-CYBMUJFWSA-N 2 0 342.509 -0.002 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)c3cnco3)CC2)C1 ZINC001055578412 736391183 /nfs/dbraw/zinc/39/11/83/736391183.db2.gz MVHXQWUHZFKMNE-CYBMUJFWSA-N 2 0 349.435 -0.063 20 0 EBADRP CO[C@@H](C)C(=O)NC1CC[NH+](CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001055578836 736392192 /nfs/dbraw/zinc/39/21/92/736392192.db2.gz WSZFQZKRGNKAGK-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(=O)NC1CC[NH+](CCNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001055626425 736411855 /nfs/dbraw/zinc/41/18/55/736411855.db2.gz XOUDTMNJPFHUIL-UHFFFAOYSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001057212047 737084402 /nfs/dbraw/zinc/08/44/02/737084402.db2.gz ILTXOZHEILALMO-AWEZNQCLSA-N 2 0 328.457 -0.641 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001057212858 737086370 /nfs/dbraw/zinc/08/63/70/737086370.db2.gz YAFPVQOLKFTFRT-CQSZACIVSA-N 2 0 338.452 -0.887 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001057631666 737370018 /nfs/dbraw/zinc/37/00/18/737370018.db2.gz CBLMOJLCUGUYQD-OAHLLOKOSA-N 2 0 342.484 -0.393 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCCN(CCO)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001057636714 737376934 /nfs/dbraw/zinc/37/69/34/737376934.db2.gz XJUXUAABGJDDPM-HUUCEWRRSA-N 2 0 340.468 -0.783 20 0 EBADRP C[N@H+](CC(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1)C1CCC1 ZINC001057642242 737383120 /nfs/dbraw/zinc/38/31/20/737383120.db2.gz JFAGICAMQVCGRC-UHFFFAOYSA-N 2 0 340.468 -0.496 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057642439 737383518 /nfs/dbraw/zinc/38/35/18/737383518.db2.gz NITLJHCZOCWRCV-HNNXBMFYSA-N 2 0 340.468 -0.496 20 0 EBADRP O=C(C[NH+]1CCCC1)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057642912 737384791 /nfs/dbraw/zinc/38/47/91/737384791.db2.gz YCWMBKHXIASPRH-UHFFFAOYSA-N 2 0 326.441 -0.885 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001057739356 737427707 /nfs/dbraw/zinc/42/77/07/737427707.db2.gz WVYXEUSOKSFXOE-HUUCEWRRSA-N 2 0 342.484 -0.395 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)CCC[NH+](C)C)CC[N@@H+]1C ZINC001057738861 737427724 /nfs/dbraw/zinc/42/77/24/737427724.db2.gz GUKWPYVLRZSMNE-HUUCEWRRSA-N 2 0 342.484 -0.395 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001057864463 737485584 /nfs/dbraw/zinc/48/55/84/737485584.db2.gz TXBAITTVJMSTDK-OAHLLOKOSA-N 2 0 342.484 -0.252 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(CCO)CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001057864359 737485803 /nfs/dbraw/zinc/48/58/03/737485803.db2.gz NZFNUKBAJLQKRJ-MRXNPFEDSA-N 2 0 342.484 -0.396 20 0 EBADRP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)C[N@H+](C)C1CCC1 ZINC001057903371 737521759 /nfs/dbraw/zinc/52/17/59/737521759.db2.gz GSYVCUOCDQGPCW-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[C@H](C(=O)N(CCO)CCNC(=O)C[N@@H+]1CCC[C@@H]1C)[NH+](C)C ZINC001057975474 737572719 /nfs/dbraw/zinc/57/27/19/737572719.db2.gz TUXLWASJKMIOBM-LSDHHAIUSA-N 2 0 342.484 -0.252 20 0 EBADRP C[NH+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001058157855 737680257 /nfs/dbraw/zinc/68/02/57/737680257.db2.gz JFJVKMCESPZZMF-GJZGRUSLSA-N 2 0 340.468 -0.641 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001058158391 737681893 /nfs/dbraw/zinc/68/18/93/737681893.db2.gz XODODCLJGVCFPE-OAHLLOKOSA-N 2 0 342.484 -0.393 20 0 EBADRP CC[C@@H](C(=O)N(CCO)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)C ZINC001058168747 737690949 /nfs/dbraw/zinc/69/09/49/737690949.db2.gz SYGHMBJULLBSEU-CABCVRRESA-N 2 0 342.484 -0.395 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)CCCC[NH+](C)C ZINC001058237085 737727071 /nfs/dbraw/zinc/72/70/71/737727071.db2.gz QOPBBARIGPIFCR-UHFFFAOYSA-N 2 0 344.500 -0.003 20 0 EBADRP CCC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001058252470 737735001 /nfs/dbraw/zinc/73/50/01/737735001.db2.gz LFXWKZSRINRLDL-HNNXBMFYSA-N 2 0 344.500 -0.004 20 0 EBADRP CC(C)[C@@H](C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C)[NH+](C)C ZINC001058607646 737920072 /nfs/dbraw/zinc/92/00/72/737920072.db2.gz JIMNEVMUJFNQNG-INIZCTEOSA-N 2 0 344.500 -0.149 20 0 EBADRP CC[C@@H](C(=O)NCCN(CCO)C(=O)CCC[NH+](C)C)[NH+](C)C ZINC001058607564 737920249 /nfs/dbraw/zinc/92/02/49/737920249.db2.gz FWPKHZHYFOZTCF-AWEZNQCLSA-N 2 0 330.473 -0.395 20 0 EBADRP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001058709158 737959922 /nfs/dbraw/zinc/95/99/22/737959922.db2.gz JPNRAAZMMUKEPL-OAHLLOKOSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC001058816272 738004060 /nfs/dbraw/zinc/00/40/60/738004060.db2.gz QBYGDNSSFDWXMI-CABCVRRESA-N 2 0 342.484 -0.537 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)C[NH+]2CCCC2)C1 ZINC001058846593 738027239 /nfs/dbraw/zinc/02/72/39/738027239.db2.gz AKQJUGQLDYWMNK-HNNXBMFYSA-N 2 0 340.468 -0.639 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001058846766 738027875 /nfs/dbraw/zinc/02/78/75/738027875.db2.gz FJSCVXVXEPYERS-CABCVRRESA-N 2 0 340.468 -0.783 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001063718510 739185695 /nfs/dbraw/zinc/18/56/95/739185695.db2.gz HWFVEBNSANXTGZ-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)CCOCC(=O)NC1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001064364639 739279254 /nfs/dbraw/zinc/27/92/54/739279254.db2.gz HGJJXYNWCQBNDR-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)CCO1 ZINC001065169314 739573742 /nfs/dbraw/zinc/57/37/42/739573742.db2.gz KHHWLKWSLXLPBO-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP CC[C@H](C(=O)N1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001065301200 739636132 /nfs/dbraw/zinc/63/61/32/739636132.db2.gz QZCZUNJPDOQNPG-UONOGXRCSA-N 2 0 328.457 -0.378 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001065409695 739693959 /nfs/dbraw/zinc/69/39/59/739693959.db2.gz MWIBWNQTKYFXRG-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP CC[C@@H](C(=O)NC[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1)[NH+](C)C ZINC001065426464 739706106 /nfs/dbraw/zinc/70/61/06/739706106.db2.gz UVMICKVXFWCLRE-SOUVJXGZSA-N 2 0 340.468 -0.236 20 0 EBADRP CC[C@@H](C(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1)[NH+](C)C ZINC001065572205 739768547 /nfs/dbraw/zinc/76/85/47/739768547.db2.gz LEYAXYYUFYJNKG-KGLIPLIRSA-N 2 0 328.457 -0.378 20 0 EBADRP CC[C@H](C(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1)[NH+](C)C ZINC001065572206 739768733 /nfs/dbraw/zinc/76/87/33/739768733.db2.gz LEYAXYYUFYJNKG-UONOGXRCSA-N 2 0 328.457 -0.378 20 0 EBADRP C[NH+](C)CCC(=O)N1CCO[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001065572535 739768961 /nfs/dbraw/zinc/76/89/61/739768961.db2.gz SGJNWSHQIWUOPP-CQSZACIVSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001065572534 739769003 /nfs/dbraw/zinc/76/90/03/739769003.db2.gz SGJNWSHQIWUOPP-AWEZNQCLSA-N 2 0 340.468 -0.377 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001065611265 739798522 /nfs/dbraw/zinc/79/85/22/739798522.db2.gz BGQOXPFJSNGFNK-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(CCCN(C)C(=O)C[NH+]1CCCC1)C(=O)COCC[NH+](C)C ZINC001067465874 740139802 /nfs/dbraw/zinc/13/98/02/740139802.db2.gz SFTHVMNGUWEBFZ-UHFFFAOYSA-N 2 0 342.484 -0.033 20 0 EBADRP C[NH+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)CO2 ZINC001068764502 740440064 /nfs/dbraw/zinc/44/00/64/740440064.db2.gz RQPDJRDTVXBEIC-ZIAGYGMSSA-N 2 0 338.452 -0.482 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1COC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001069015715 740524069 /nfs/dbraw/zinc/52/40/69/740524069.db2.gz VKSYUGOROQZSPB-AWEZNQCLSA-N 2 0 338.452 -0.480 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCCO)C[C@@H]2n2ccnn2)C1 ZINC001070076544 740685334 /nfs/dbraw/zinc/68/53/34/740685334.db2.gz RQYACVJGXPVMFI-ZNMIVQPWSA-N 2 0 336.440 -0.656 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070194895 740743765 /nfs/dbraw/zinc/74/37/65/740743765.db2.gz SSKVJFAGWMKNIO-KFWWJZLASA-N 2 0 336.415 -0.069 20 0 EBADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001070209037 740749488 /nfs/dbraw/zinc/74/94/88/740749488.db2.gz JRMFTOSKBCSFSW-YUELXQCFSA-N 2 0 336.440 -0.515 20 0 EBADRP O=C(c1ccn2c[nH+]cc2c1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070227318 740758781 /nfs/dbraw/zinc/75/87/81/740758781.db2.gz YNIBSPDBSJTLFQ-CABCVRRESA-N 2 0 341.375 -0.427 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2[NH2+]CC(N)=O)c1 ZINC001070499288 740850677 /nfs/dbraw/zinc/85/06/77/740850677.db2.gz LLVLXTVTAHHPPO-GXTWGEPZSA-N 2 0 348.451 -0.726 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C[C@H]2[NH2+]CCO)c1 ZINC001070558889 740862813 /nfs/dbraw/zinc/86/28/13/740862813.db2.gz WWBNNXUOUKXNST-LESCRADOSA-N 2 0 347.463 -0.218 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001070754862 740938025 /nfs/dbraw/zinc/93/80/25/740938025.db2.gz WYBDSDIDKAQIGY-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP COCCN1CCNC(=O)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001070975144 741010221 /nfs/dbraw/zinc/01/02/21/741010221.db2.gz FWYLVBNZSYWEAI-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP C[C@@H](O)CN1CCNC(=O)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001070975725 741011105 /nfs/dbraw/zinc/01/11/05/741011105.db2.gz YJMODXFDVWTDAU-HUUCEWRRSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001071016896 741040349 /nfs/dbraw/zinc/04/03/49/741040349.db2.gz WKAIEQFUNGLQIL-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP CC[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1)[NH+](C)C ZINC001071065408 741053106 /nfs/dbraw/zinc/05/31/06/741053106.db2.gz QKMQIMFIXOJCDZ-FMKPAKJESA-N 2 0 340.468 -0.202 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC001072432659 741398344 /nfs/dbraw/zinc/39/83/44/741398344.db2.gz LBFHVOIHHLDCDZ-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1CN(C(=O)COCC[NH+](C)C)C[C@@H]1C ZINC001072433584 741399218 /nfs/dbraw/zinc/39/92/18/741399218.db2.gz YGSJISOJTDRRAY-GJZGRUSLSA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)N1CCC1)C2 ZINC001072983548 741534497 /nfs/dbraw/zinc/53/44/97/741534497.db2.gz ZQXMZLGDPIIGKW-CABCVRRESA-N 2 0 334.464 -0.049 20 0 EBADRP C[C@H]1[C@@H]([NH2+][C@H]2CCNC2=O)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC001075003212 742156268 /nfs/dbraw/zinc/15/62/68/742156268.db2.gz DCVJTMSCSARPHW-QEJZJMRPSA-N 2 0 338.452 -0.435 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001075108917 742181275 /nfs/dbraw/zinc/18/12/75/742181275.db2.gz YATFZXWKKCHLHN-IHRRRGAJSA-N 2 0 336.436 -0.334 20 0 EBADRP CN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1=O ZINC001076465888 742476956 /nfs/dbraw/zinc/47/69/56/742476956.db2.gz ZTHRATCFCJUEHW-SOUVJXGZSA-N 2 0 332.448 -0.154 20 0 EBADRP CC(C)=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418313 742964902 /nfs/dbraw/zinc/96/49/02/742964902.db2.gz NFBOIAPSRWLJDV-YLADIXGZSA-N 2 0 335.448 -0.023 20 0 EBADRP C[C@@H](CCNC(=O)C[C@H]1CC[N@H+](C)C1)NC(=O)COCC[NH+](C)C ZINC001077497453 743022233 /nfs/dbraw/zinc/02/22/33/743022233.db2.gz UMRJUWNJXRKRBE-LSDHHAIUSA-N 2 0 342.484 -0.083 20 0 EBADRP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001078012930 743415863 /nfs/dbraw/zinc/41/58/63/743415863.db2.gz JDCYAQMQFWIEQR-HZPDHXFCSA-N 2 0 347.463 -0.297 20 0 EBADRP C[C@@H](CCNC(=O)CC[NH+](C)C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001078200251 743533566 /nfs/dbraw/zinc/53/35/66/743533566.db2.gz PUQIETHFGQTSTF-GJZGRUSLSA-N 2 0 342.484 -0.083 20 0 EBADRP Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001078507541 743684191 /nfs/dbraw/zinc/68/41/91/743684191.db2.gz DNGVAFOBRZEEKP-UKRRQHHQSA-N 2 0 336.440 -0.526 20 0 EBADRP CN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C[NH+]3CCCC3)CCCO2)C1=O ZINC001078508742 743685163 /nfs/dbraw/zinc/68/51/63/743685163.db2.gz XESGQKXVEPPUKK-CABCVRRESA-N 2 0 338.452 -0.480 20 0 EBADRP Cn1nnnc1C[NH2+][C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C12CCC2 ZINC001078784024 743734247 /nfs/dbraw/zinc/73/42/47/743734247.db2.gz QCNBMMSETCLLRJ-STQMWFEESA-N 2 0 345.451 -0.177 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CCC[C@H]([NH2+]CC(N)=O)C2)n1 ZINC000981095209 806084190 /nfs/dbraw/zinc/08/41/90/806084190.db2.gz UPCQGZQWTXWOHQ-STQMWFEESA-N 2 0 336.440 -0.439 20 0 EBADRP Cn1[nH]c(C[NH2+][C@@H]2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)nc1=O ZINC000981461748 806176329 /nfs/dbraw/zinc/17/63/29/806176329.db2.gz KTUDKHZJXSSOQU-OLZOCXBDSA-N 2 0 348.451 -0.279 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+]([C@@H]1CCC(=O)NC1=O)C2 ZINC000981666666 806227971 /nfs/dbraw/zinc/22/79/71/806227971.db2.gz YIYKSZBOPLTFRH-KGLIPLIRSA-N 2 0 348.447 -0.190 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC[NH+](CCN2CCNC2=O)CC1 ZINC000981958105 806347760 /nfs/dbraw/zinc/34/77/60/806347760.db2.gz AVNXCQCMKNOZQK-HUUCEWRRSA-N 2 0 337.468 -0.256 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC000977919875 804564574 /nfs/dbraw/zinc/56/45/74/804564574.db2.gz KMLCJVFHGCDSKI-APIJFGDWSA-N 2 0 335.452 -0.600 20 0 EBADRP O=C(NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000978555825 804860822 /nfs/dbraw/zinc/86/08/22/804860822.db2.gz KEAWRXADHSTHKY-UAEIHBMGSA-N 2 0 335.448 -0.474 20 0 EBADRP O=C(NC[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000978956745 805062866 /nfs/dbraw/zinc/06/28/66/805062866.db2.gz FVEQWCBKCKCGIM-XQLPTFJDSA-N 2 0 332.448 -0.345 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000983323375 806986565 /nfs/dbraw/zinc/98/65/65/806986565.db2.gz UADWIEFQJUAEPD-AJNGGQMLSA-N 2 0 343.493 0.000 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC000985035087 807430774 /nfs/dbraw/zinc/43/07/74/807430774.db2.gz RLBHYNLSWZIUAD-AAVRWANBSA-N 2 0 336.436 -0.382 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnc4n3CCOC4)C2)C1 ZINC000985120592 807449219 /nfs/dbraw/zinc/44/92/19/807449219.db2.gz UYSSCVRXVBWPEX-MGPQQGTHSA-N 2 0 348.451 -0.256 20 0 EBADRP C[N@H+](C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1)[C@H]1CCC(=O)NC1=O ZINC000985755994 807572771 /nfs/dbraw/zinc/57/27/71/807572771.db2.gz NJFROZFGWCHSQU-AWEZNQCLSA-N 2 0 348.447 -0.190 20 0 EBADRP C[C@@H]1[C@@H]([NH2+]CCN2C(=O)CCC2=O)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987354841 807898724 /nfs/dbraw/zinc/89/87/24/807898724.db2.gz FVAOSSXHVWGXHP-KGLIPLIRSA-N 2 0 348.447 -0.190 20 0 EBADRP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC000989168817 808393498 /nfs/dbraw/zinc/39/34/98/808393498.db2.gz CFNZTVIFHNAQNY-NWDGAFQWSA-N 2 0 328.376 -0.055 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[NH+](CCN3CCNC3=O)CC2)C1 ZINC000989481608 808487002 /nfs/dbraw/zinc/48/70/02/808487002.db2.gz ZTGYJSOGFYJUAW-OAHLLOKOSA-N 2 0 337.468 -0.112 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC000990275596 808718590 /nfs/dbraw/zinc/71/85/90/808718590.db2.gz BNMSDLBULINKSX-ZDUSSCGKSA-N 2 0 337.424 -0.787 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000990514195 808820341 /nfs/dbraw/zinc/82/03/41/808820341.db2.gz FLAIEBOJRCGXBY-OAHLLOKOSA-N 2 0 338.452 -0.482 20 0 EBADRP O=C(N[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1)C12CC[NH+](CC1)C2 ZINC001009219284 810235611 /nfs/dbraw/zinc/23/56/11/810235611.db2.gz IEOAROKVFMASJO-JKSUJKDBSA-N 2 0 347.463 -0.080 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CCOCCO ZINC001214645525 810269304 /nfs/dbraw/zinc/26/93/04/810269304.db2.gz BVGWMYHELOJDHY-VNQPRFMTSA-N 2 0 325.453 -0.226 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001214663841 810270122 /nfs/dbraw/zinc/27/01/22/810270122.db2.gz FZCFTYJRDBQKGW-AAVRWANBSA-N 2 0 346.497 -0.688 20 0 EBADRP CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001214905058 810290164 /nfs/dbraw/zinc/29/01/64/810290164.db2.gz WOCWCZIXWNOKHN-MCIONIFRSA-N 2 0 348.513 -0.442 20 0 EBADRP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215056904 810303881 /nfs/dbraw/zinc/30/38/81/810303881.db2.gz NBOWJUIMRDTJCL-VXGBXAGGSA-N 2 0 337.424 -0.754 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001215184948 810312666 /nfs/dbraw/zinc/31/26/66/810312666.db2.gz VHUTYOPHHUHIPT-TUFIUFKWSA-N 2 0 336.436 -0.968 20 0 EBADRP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001215298675 810322043 /nfs/dbraw/zinc/32/20/43/810322043.db2.gz BPBNNGAYZYZKAO-VXGBXAGGSA-N 2 0 339.440 -0.508 20 0 EBADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001215414345 810326956 /nfs/dbraw/zinc/32/69/56/810326956.db2.gz ULXWMJAJVBQHFF-VXGBXAGGSA-N 2 0 336.440 -0.613 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CCCN1C(=O)CNC1=O ZINC001215463303 810331244 /nfs/dbraw/zinc/33/12/44/810331244.db2.gz QMBIVDHIVGZVIW-CHWSQXEVSA-N 2 0 339.440 -0.684 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001215463234 810331514 /nfs/dbraw/zinc/33/15/14/810331514.db2.gz NTRHRLIAAUCPRL-QLFBSQMISA-N 2 0 340.468 -0.473 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216383859 810371030 /nfs/dbraw/zinc/37/10/30/810371030.db2.gz RNDURGQDLHTFMN-JHJVBQTASA-N 2 0 339.440 -0.780 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001216401318 810371678 /nfs/dbraw/zinc/37/16/78/810371678.db2.gz JUZAVESDVGQUGU-ZIAGYGMSSA-N 2 0 326.441 -0.767 20 0 EBADRP Cc1nc(Cl)c(N)c(=N)n1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218641283 810515405 /nfs/dbraw/zinc/51/54/05/810515405.db2.gz DCACRXYYFFJWDN-SECBINFHSA-N 2 0 327.820 -0.703 20 0 EBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N(c1ncccc1N)C1CC[NH2+]CC1 ZINC001218696805 810520766 /nfs/dbraw/zinc/52/07/66/810520766.db2.gz YIYQWILHTPDAAW-ZAMGYDSWSA-N 2 0 339.465 -0.155 20 0 EBADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)N(c1ncccc1N)C1CC[NH2+]CC1 ZINC001218696101 810520787 /nfs/dbraw/zinc/52/07/87/810520787.db2.gz NGMKOEPSXWSHGB-UKRRQHHQSA-N 2 0 347.419 -0.100 20 0 EBADRP NC(=O)NCCC[C@H]([NH3+])C(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218725081 810524367 /nfs/dbraw/zinc/52/43/67/810524367.db2.gz OGXUCUPIUBFEAK-ZDUSSCGKSA-N 2 0 349.439 -0.277 20 0 EBADRP CC1(C)COc2cc(NC(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)nn2C1 ZINC001218746322 810526980 /nfs/dbraw/zinc/52/69/80/810526980.db2.gz HTVNZHMJIREBRJ-LBPRGKRZSA-N 2 0 336.440 -0.009 20 0 EBADRP CCc1c(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c(C(N)=O)nn1C ZINC001218788807 810530527 /nfs/dbraw/zinc/53/05/27/810530527.db2.gz UHNIKJSGQKLCTQ-JTQLQIEISA-N 2 0 334.424 -0.106 20 0 EBADRP CCOc1cc(C(N)=O)ccc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218816210 810534280 /nfs/dbraw/zinc/53/42/80/810534280.db2.gz OZRYPKYAFUYMBZ-ZDUSSCGKSA-N 2 0 349.435 -0.127 20 0 EBADRP COC(=O)CC[C@@H]([NH3+])C(=O)Nc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC001218879888 810538945 /nfs/dbraw/zinc/53/89/45/810538945.db2.gz KJAAZUNMGYJDHH-CYBMUJFWSA-N 2 0 348.403 -0.049 20 0 EBADRP [NH3+][C@H](C(=O)Nc1ccc(N2CCNC(=O)C2)cc1)C1CC[NH2+]CC1 ZINC001218873294 810539029 /nfs/dbraw/zinc/53/90/29/810539029.db2.gz IHBAPMGOGKBSFP-INIZCTEOSA-N 2 0 331.420 -0.112 20 0 EBADRP [NH3+][C@@H]1CN[C@H](C(=O)Nc2ccc(N3CC[NH+](CCO)CC3)cc2)C1 ZINC001218874053 810539163 /nfs/dbraw/zinc/53/91/63/810539163.db2.gz OSSKDKLLRXIEIS-BBRMVZONSA-N 2 0 333.436 -0.571 20 0 EBADRP NC1(C(=O)Nc2ccc(N3CC[NH+](CCO)CC3)cc2)CC[NH2+]CC1 ZINC001218873472 810539372 /nfs/dbraw/zinc/53/93/72/810539372.db2.gz IWFZZENYMLORIN-UHFFFAOYSA-N 2 0 347.463 -0.180 20 0 EBADRP CNS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c1 ZINC001218901329 810543284 /nfs/dbraw/zinc/54/32/84/810543284.db2.gz DTWUWWZWBVSHTJ-JTQLQIEISA-N 2 0 330.410 -0.305 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1cccc(-n2nccn2)c1 ZINC001218985123 810550967 /nfs/dbraw/zinc/55/09/67/810550967.db2.gz WDXZVUWUPTVDNB-OAHLLOKOSA-N 2 0 329.408 -0.044 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2C[NH+]([C@@H]3CCN(C)C3=O)C[C@@H]21 ZINC001219054672 810564203 /nfs/dbraw/zinc/56/42/03/810564203.db2.gz JEUHLDOCCARJAP-QLFBSQMISA-N 2 0 338.452 -0.531 20 0 EBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001219117919 810587903 /nfs/dbraw/zinc/58/79/03/810587903.db2.gz HMFAQIVYNDVWOR-HNNXBMFYSA-N 2 0 331.420 -0.016 20 0 EBADRP O=C(N[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1)C12CC[NH+](CC1)C2 ZINC001016001060 810648539 /nfs/dbraw/zinc/64/85/39/810648539.db2.gz HTXDKAHSFVJIAN-ZDUSSCGKSA-N 2 0 334.420 -0.578 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH+](CCN3C(=O)CCC3=O)C2)C1 ZINC001015999816 810649017 /nfs/dbraw/zinc/64/90/17/810649017.db2.gz XBQPOQLTCUMGJW-KBPBESRZSA-N 2 0 336.436 -0.332 20 0 EBADRP Nc1cccc2c1CS(=O)(=O)N2C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219417060 810691563 /nfs/dbraw/zinc/69/15/63/810691563.db2.gz GXKSJWJWVHNBCD-MEBBXXQBSA-N 2 0 336.417 -0.356 20 0 EBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001219542284 810742386 /nfs/dbraw/zinc/74/23/86/810742386.db2.gz QFIIBNWRWGPJTI-OSMZGAPFSA-N 2 0 330.388 -0.059 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC23CC[NH+](CC(N)=O)CC3)n1 ZINC001016630509 810766839 /nfs/dbraw/zinc/76/68/39/810766839.db2.gz YCURWFBUODULFI-AWEZNQCLSA-N 2 0 348.451 -0.486 20 0 EBADRP O=C(N[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001219610052 810769696 /nfs/dbraw/zinc/76/96/96/810769696.db2.gz KCKZOABKYLCKKN-RNCFNFMXSA-N 2 0 334.342 -0.487 20 0 EBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219610425 810769853 /nfs/dbraw/zinc/76/98/53/810769853.db2.gz NVJBVFWDJCXUEO-WCBMZHEXSA-N 2 0 328.360 -0.449 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635595 810782345 /nfs/dbraw/zinc/78/23/45/810782345.db2.gz NQPQAVSYQMPFSP-XUXIUFHCSA-N 3 0 343.447 -0.750 20 0 EBADRP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643507 810783921 /nfs/dbraw/zinc/78/39/21/810783921.db2.gz WQYGFBLSSQOLPG-XHSDSOJGSA-N 2 0 325.453 -0.084 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H](CNC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001219651247 810785753 /nfs/dbraw/zinc/78/57/53/810785753.db2.gz UUZIDXYMBINABW-XQQFMLRXSA-N 2 0 328.457 -0.393 20 0 EBADRP N[C@@H](C[NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219722500 810809134 /nfs/dbraw/zinc/80/91/34/810809134.db2.gz BLMUYLLEHXKKES-IRXDYDNUSA-N 3 0 345.491 -0.110 20 0 EBADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001219737014 810817150 /nfs/dbraw/zinc/81/71/50/810817150.db2.gz MSMSNHVHQBWSJS-KGLIPLIRSA-N 2 0 345.447 -0.371 20 0 EBADRP O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219737202 810817396 /nfs/dbraw/zinc/81/73/96/810817396.db2.gz QLCKXBCJQUGUKX-STQMWFEESA-N 2 0 346.435 -0.976 20 0 EBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1Cc2cc(O)ccc2C[NH2+]1 ZINC001219748985 810823004 /nfs/dbraw/zinc/82/30/04/810823004.db2.gz GNFDHDODTUSAOD-CQSZACIVSA-N 2 0 342.403 -0.192 20 0 EBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001219748962 810823713 /nfs/dbraw/zinc/82/37/13/810823713.db2.gz FMWSYOVQCFTZAJ-BLLLJJGKSA-N 2 0 334.424 -0.454 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219779508 810838117 /nfs/dbraw/zinc/83/81/17/810838117.db2.gz ISTQCKYLBPALHZ-ZDUSSCGKSA-N 2 0 340.468 -0.107 20 0 EBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001219787389 810839070 /nfs/dbraw/zinc/83/90/70/810839070.db2.gz CDLBSSXCVUTJIV-ZFWWWQNUSA-N 2 0 333.436 -0.337 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](CCOCCO)C[C@@H]1O ZINC001219796796 810845313 /nfs/dbraw/zinc/84/53/13/810845313.db2.gz QMKITIQKDRJOGS-XHSDSOJGSA-N 2 0 343.468 -0.581 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219801178 810848878 /nfs/dbraw/zinc/84/88/78/810848878.db2.gz VDZXSLGWVVOUEV-STQMWFEESA-N 2 0 326.441 -0.639 20 0 EBADRP O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219816154 810859597 /nfs/dbraw/zinc/85/95/97/810859597.db2.gz BPAIIBDAZVERCV-ZNMIVQPWSA-N 2 0 349.456 -0.018 20 0 EBADRP COCCOCC[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219830332 810865546 /nfs/dbraw/zinc/86/55/46/810865546.db2.gz VVDLMBJWCXOBCZ-XHSDSOJGSA-N 2 0 343.468 -0.315 20 0 EBADRP Cn1cc(CC[N@H+]2C[C@@H](NC(=O)CC[C@H]3CCC[NH+]3C)[C@@H](O)C2)cn1 ZINC001219829910 810865982 /nfs/dbraw/zinc/86/59/82/810865982.db2.gz IAIRAXNRGSEUJO-ZACQAIPSSA-N 2 0 349.479 -0.002 20 0 EBADRP [NH3+][C@@H](C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)C1CCC2(CC1)OCCO2 ZINC001219831335 810866599 /nfs/dbraw/zinc/86/65/99/810866599.db2.gz GZLNOQSFSLXJKO-APIJFGDWSA-N 2 0 339.436 -0.260 20 0 EBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1C[NH2+]Cc2ccnn2C1 ZINC001219833855 810868783 /nfs/dbraw/zinc/86/87/83/810868783.db2.gz LABGZAVGAOBQSP-CPUCHLNUSA-N 2 0 349.435 -0.886 20 0 EBADRP C[NH2+][C@@H]1CCCN(CC(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)C1 ZINC001219837985 810870557 /nfs/dbraw/zinc/87/05/57/810870557.db2.gz NKICMAKDPCBAMT-ZMSDIMECSA-N 2 0 340.468 -0.819 20 0 EBADRP NC(=[NH2+])NCCCCC(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837285 810870721 /nfs/dbraw/zinc/87/07/21/810870721.db2.gz IVYDCBIQAVLJBZ-IUODEOHRSA-N 2 0 327.429 -0.849 20 0 EBADRP CN(CC(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1CCC[NH2+]C1 ZINC001219838467 810870868 /nfs/dbraw/zinc/87/08/68/810870868.db2.gz QRVJFGRKGLXQQC-VYDXJSESSA-N 2 0 340.468 -0.819 20 0 EBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219838423 810871215 /nfs/dbraw/zinc/87/12/15/810871215.db2.gz QADMALGSVZAKOQ-ZOBUZTSGSA-N 3 0 342.484 -0.443 20 0 EBADRP [NH3+][C@H](C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)C1CCOCC1 ZINC001219837236 810871323 /nfs/dbraw/zinc/87/13/23/810871323.db2.gz IFFCKOIDQOIXTI-DUVNUKRYSA-N 2 0 327.425 -0.748 20 0 EBADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)c1[nH]nc2c1C[NH2+]CC2 ZINC001219845296 810875405 /nfs/dbraw/zinc/87/54/05/810875405.db2.gz VSXMCYSXHYIXBN-MEDUHNTESA-N 2 0 335.408 -0.820 20 0 EBADRP CCN1CC[C@@H](N2C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C2)C1=O ZINC001219903287 810902632 /nfs/dbraw/zinc/90/26/32/810902632.db2.gz XJDIFMDTUKBRST-MCIONIFRSA-N 2 0 340.468 -0.501 20 0 EBADRP CS(=O)(=O)N(C(=O)[C@@H](N)CCCC[NH3+])c1ccc(C[NH3+])cc1 ZINC001219938823 810916700 /nfs/dbraw/zinc/91/67/00/810916700.db2.gz GHGHHRCNFGAUMD-ZDUSSCGKSA-N 2 0 328.438 -0.106 20 0 EBADRP CS(=O)(=O)N(C(=O)[C@]12C[NH2+]C[C@H]1CCN2)c1ccc(C[NH3+])cc1 ZINC001219938897 810917142 /nfs/dbraw/zinc/91/71/42/810917142.db2.gz IQMQCOMNWQBHSX-DOMZBBRYSA-N 2 0 338.433 -0.611 20 0 EBADRP COC(=O)C1(NC(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)CC[NH2+]CC1 ZINC001220001745 810941940 /nfs/dbraw/zinc/94/19/40/810941940.db2.gz WQMFDXPSERUCJG-AWEZNQCLSA-N 2 0 335.404 -0.024 20 0 EBADRP [NH3+]CC1(N(Cc2ccccc2)C(=O)[C@]23C[NH2+]C[C@H]2CCN3)COC1 ZINC001220020719 810951455 /nfs/dbraw/zinc/95/14/55/810951455.db2.gz SKOFNCUCVPFXMW-QAPCUYQASA-N 2 0 330.432 -0.306 20 0 EBADRP N=c1sc2c(n1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)CC[C@H]([NH3+])C2 ZINC001220025398 810953311 /nfs/dbraw/zinc/95/33/11/810953311.db2.gz NRLODRDGXVOPIV-WDEREUQCSA-N 3 0 338.481 -0.764 20 0 EBADRP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC001220120839 810990277 /nfs/dbraw/zinc/99/02/77/810990277.db2.gz RHFVJGCXNCDUFH-YPMHNXCESA-N 2 0 334.376 -0.022 20 0 EBADRP CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC001220120837 810990622 /nfs/dbraw/zinc/99/06/22/810990622.db2.gz RHFVJGCXNCDUFH-DGCLKSJQSA-N 2 0 334.376 -0.022 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220161504 811004838 /nfs/dbraw/zinc/00/48/38/811004838.db2.gz CSLZWVHKVXUDRN-TZMCWYRMSA-N 2 0 332.470 -0.755 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001220200719 811013667 /nfs/dbraw/zinc/01/36/67/811013667.db2.gz SFABMTAEMUZNCC-MRXNPFEDSA-N 3 0 341.500 -0.646 20 0 EBADRP COC(=O)[C@@]1(NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)CC[N@H+](Cc2ccccc2)C1 ZINC001220228287 811026114 /nfs/dbraw/zinc/02/61/14/811026114.db2.gz HJEHTCKVPWNEKI-RVKKMQEKSA-N 2 0 346.431 -0.391 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001220237741 811030540 /nfs/dbraw/zinc/03/05/40/811030540.db2.gz DBZZDLKBGGUJJP-OAGGEKHMSA-N 2 0 343.468 -0.315 20 0 EBADRP O=C(NCc1ncn2c1C[NH2+]CCC2)[C@H]1C[NH2+]Cc2ccnn2C1 ZINC001220311990 811051500 /nfs/dbraw/zinc/05/15/00/811051500.db2.gz VNKKRAUKWINNHL-LBPRGKRZSA-N 2 0 329.408 -0.391 20 0 EBADRP O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1CNC(=O)C12CC[NH2+]CC2 ZINC001220317018 811052843 /nfs/dbraw/zinc/05/28/43/811052843.db2.gz UWIKBGOWRFCNIE-HEHGZKQESA-N 2 0 336.436 -0.871 20 0 EBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220321195 811057138 /nfs/dbraw/zinc/05/71/38/811057138.db2.gz SOCNMEZJCBNJFS-IJEWVQPXSA-N 2 0 326.441 -0.353 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1cccn(CC2CC2)c1=O ZINC001220343522 811063630 /nfs/dbraw/zinc/06/36/30/811063630.db2.gz RHIVSMCIEDFTBQ-AWEZNQCLSA-N 2 0 333.436 -0.053 20 0 EBADRP N[C@@H](C[NH3+])C(=O)N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCC[NH2+]1 ZINC001220354364 811067659 /nfs/dbraw/zinc/06/76/59/811067659.db2.gz QPDZMHOHSFCUTH-QLFBSQMISA-N 2 0 334.420 -0.152 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1ncccc1O ZINC001220389705 811087293 /nfs/dbraw/zinc/08/72/93/811087293.db2.gz CNKJAYDLOQFFJW-JSGCOSHPSA-N 2 0 349.435 -0.149 20 0 EBADRP O=C(NC[C@@H]1COCC[NH2+]1)c1ccc2c(c1)[C@H]1C[NH2+]C[C@H]1NC2=O ZINC001220431580 811105935 /nfs/dbraw/zinc/10/59/35/811105935.db2.gz KGPYUXREJGBYJH-KCPJHIHWSA-N 2 0 330.388 -0.796 20 0 EBADRP NC(=[NH2+])N(C(=O)CN1CC[NH2+]CC1)c1ccc(N2CCOCC2)cc1 ZINC001220460241 811116620 /nfs/dbraw/zinc/11/66/20/811116620.db2.gz FUBDGIUPUMNTBP-UHFFFAOYSA-N 2 0 346.435 -0.345 20 0 EBADRP NC(=[NH2+])N(C(=O)[C@H]1[NH2+]CC[C@@H]1O)c1ccc(N2CCOCC2)cc1 ZINC001220460580 811117333 /nfs/dbraw/zinc/11/73/33/811117333.db2.gz RUNLKALXBKOIST-KBPBESRZSA-N 2 0 333.392 -0.528 20 0 EBADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)O1 ZINC001220481900 811123894 /nfs/dbraw/zinc/12/38/94/811123894.db2.gz VMXGMFRFEPWRLZ-KQTLUZQSSA-N 3 0 340.468 -0.298 20 0 EBADRP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)NCCOCCOCC[NH3+] ZINC001220519183 811135485 /nfs/dbraw/zinc/13/54/85/811135485.db2.gz FNMCKWBHZHKOOU-ZDUSSCGKSA-N 2 0 347.456 -0.066 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)CC[NH2+]C1 ZINC001220522032 811137415 /nfs/dbraw/zinc/13/74/15/811137415.db2.gz YOPMZDVOMMZFCK-ZDUSSCGKSA-N 3 0 326.441 -0.028 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@H](CCCC[NH3+])NC(C)=O)CC[NH2+]C1 ZINC001220522610 811138892 /nfs/dbraw/zinc/13/88/92/811138892.db2.gz BFNHUMVBIOMNTI-AWEZNQCLSA-N 2 0 340.424 -0.453 20 0 EBADRP CC(C)([NH3+])CN(C(=O)[C@H]1[NH2+]CC[C@H]1O)S(=O)(=O)c1ccccc1 ZINC001220535495 811142843 /nfs/dbraw/zinc/14/28/43/811142843.db2.gz DEPRHQDTDMWSRQ-OLZOCXBDSA-N 2 0 341.433 -0.336 20 0 EBADRP NC(=O)CC[C@H]([NH3+])CC(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220651141 811188292 /nfs/dbraw/zinc/18/82/92/811188292.db2.gz DBEGXQWEJNMJEY-AWEZNQCLSA-N 2 0 333.436 -0.305 20 0 EBADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220651950 811190171 /nfs/dbraw/zinc/19/01/71/811190171.db2.gz SIFYBPFQTQTYTI-VQIMIIECSA-N 3 0 343.475 -0.089 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220654133 811191610 /nfs/dbraw/zinc/19/16/10/811191610.db2.gz FOPRXPVGJMFVLJ-AWEZNQCLSA-N 3 0 337.493 -0.268 20 0 EBADRP CO[C@@H](C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1)C1CCC1 ZINC001220768610 811234211 /nfs/dbraw/zinc/23/42/11/811234211.db2.gz VDGXAQBNAKMWGY-PMPSAXMXSA-N 2 0 343.468 -0.459 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001220768449 811234417 /nfs/dbraw/zinc/23/44/17/811234417.db2.gz MFCRPXHDKUMTLS-KFWWJZLASA-N 2 0 329.441 -0.705 20 0 EBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220788098 811242379 /nfs/dbraw/zinc/24/23/79/811242379.db2.gz BUGMUFFCBKINIW-OFQRWUPVSA-N 2 0 331.420 -0.283 20 0 EBADRP Cn1cc(CC[N@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C2)cn1 ZINC001220798616 811246509 /nfs/dbraw/zinc/24/65/09/811246509.db2.gz CCIJAGPGJIIUIU-CVEARBPZSA-N 2 0 337.468 -0.144 20 0 EBADRP [NH3+][C@H]1CCCCN(CC(=O)N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)C1=O ZINC001220806089 811247951 /nfs/dbraw/zinc/24/79/51/811247951.db2.gz XSKPMMMZWRSSOP-DCAQKATOSA-N 2 0 336.358 -0.017 20 0 EBADRP COc1ccc(CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c(OC)n1 ZINC001220824130 811255095 /nfs/dbraw/zinc/25/50/95/811255095.db2.gz XWEYKNDHPVASJU-CYBMUJFWSA-N 2 0 337.424 -0.535 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@@H]1O ZINC001220825734 811257224 /nfs/dbraw/zinc/25/72/24/811257224.db2.gz DOAIVWJEFLMQJL-CVEARBPZSA-N 2 0 337.468 -0.144 20 0 EBADRP CCOC(=O)C1(NC(=O)[C@H]2CO[C@]3(C2)CCC[NH2+]CC3)C[NH2+]C1 ZINC001220850971 811266985 /nfs/dbraw/zinc/26/69/85/811266985.db2.gz CBGGZVAWKUEYHQ-IUODEOHRSA-N 2 0 325.409 -0.444 20 0 EBADRP CCOC(=O)C1(NC(=O)[C@@H](NCc2ccccc2)C(C)(C)[NH3+])C[NH2+]C1 ZINC001220851399 811267395 /nfs/dbraw/zinc/26/73/95/811267395.db2.gz UZXKWFVOLFPLFW-CQSZACIVSA-N 2 0 348.447 -0.097 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CCO)C2)cn1 ZINC001036840526 811282303 /nfs/dbraw/zinc/28/23/03/811282303.db2.gz JJOBZCJRLKYJFE-ZBFHGGJFSA-N 2 0 335.452 -0.027 20 0 EBADRP O=C(N[C@@H]1CCN(C(=O)c2ccncc2)C1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220920787 811295450 /nfs/dbraw/zinc/29/54/50/811295450.db2.gz NMMSXCCNFBKRQW-KGLIPLIRSA-N 2 0 329.404 -0.779 20 0 EBADRP N=c1ncc(C[NH3+])cn1C(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+] ZINC001220951412 811306951 /nfs/dbraw/zinc/30/69/51/811306951.db2.gz ZSPDSOWOSGAUEO-ZDUSSCGKSA-N 2 0 328.376 -0.852 20 0 EBADRP [NH3+]C1(C(=O)NCc2ccccc2)CCN(C(=O)[C@H]2[NH2+]CC[C@H]2O)CC1 ZINC001220971216 811317571 /nfs/dbraw/zinc/31/75/71/811317571.db2.gz XVPCSJKVAGRFLD-CABCVRRESA-N 2 0 346.431 -0.655 20 0 EBADRP CCC(CC)[C@@H](NC(=O)[C@@H](C)[NH3+])[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070453 811362329 /nfs/dbraw/zinc/36/23/29/811362329.db2.gz SMHOOCLLWXSJQZ-VXLISWAUSA-N 2 0 329.441 -0.248 20 0 EBADRP CC(C)COC[C@H](O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091064 811374190 /nfs/dbraw/zinc/37/41/90/811374190.db2.gz AKIWWPRINAHSOR-OAGGEKHMSA-N 2 0 345.484 -0.479 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCO[C@H]2CCOC2)C[C@@H]1O ZINC001221091735 811375115 /nfs/dbraw/zinc/37/51/15/811375115.db2.gz WDJNXVRXSPPLGF-XHSDSOJGSA-N 2 0 343.468 -0.317 20 0 EBADRP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001221114424 811382839 /nfs/dbraw/zinc/38/28/39/811382839.db2.gz YYVCJTCHLOSPMH-AWEZNQCLSA-N 2 0 345.447 -0.851 20 0 EBADRP O=C(NC1(c2cccnc2)CC[NH2+]CC1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001221121407 811384431 /nfs/dbraw/zinc/38/44/31/811384431.db2.gz DPXBSTDKOFWOIA-AWEZNQCLSA-N 2 0 331.420 -0.893 20 0 EBADRP O=C(NCc1ccc(N2CCCNC2=O)nc1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221153528 811394146 /nfs/dbraw/zinc/39/41/46/811394146.db2.gz KVJWPLSVVARTHL-ZDUSSCGKSA-N 2 0 344.419 -0.574 20 0 EBADRP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001221154554 811396858 /nfs/dbraw/zinc/39/68/58/811396858.db2.gz RPWFCVCTTNVIBP-CVEARBPZSA-N 2 0 343.468 -0.577 20 0 EBADRP COCC1(CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CCOCC1 ZINC001221176922 811407029 /nfs/dbraw/zinc/40/70/29/811407029.db2.gz UGGZWNSNGRFNTI-AWEZNQCLSA-N 2 0 328.457 -0.704 20 0 EBADRP CC(=O)OCN1CCC(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001221258342 811428328 /nfs/dbraw/zinc/42/83/28/811428328.db2.gz FWSWYWSMGPBALH-OAHLLOKOSA-N 2 0 338.452 -0.038 20 0 EBADRP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001079493982 811561023 /nfs/dbraw/zinc/56/10/23/811561023.db2.gz NYTBSISBXOTAAH-HNNXBMFYSA-N 2 0 340.468 -0.282 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221946777 811569078 /nfs/dbraw/zinc/56/90/78/811569078.db2.gz BOCLQHQTFVBJRR-QLFBSQMISA-N 2 0 329.441 -0.895 20 0 EBADRP C[C@@H]1CNCC(F)(F)[C@H]1C[N@@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001222520835 811637942 /nfs/dbraw/zinc/63/79/42/811637942.db2.gz LGMIOKXKEPTKGC-TYNCELHUSA-N 2 0 328.407 -0.111 20 0 EBADRP O=C1NCC[C@]12CN(Cc1nc3c(s1)C[NH2+]CC3)CC21C[NH2+]C1 ZINC001222526837 811639253 /nfs/dbraw/zinc/63/92/53/811639253.db2.gz GNDVOJRNMGSLSZ-INIZCTEOSA-N 2 0 333.461 -0.300 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC2CC[NH+](CC(=O)NC(N)=O)CC2)CC1 ZINC001224260519 811752054 /nfs/dbraw/zinc/75/20/54/811752054.db2.gz IOMNKZGUSYFNPD-UHFFFAOYSA-N 2 0 339.440 -0.649 20 0 EBADRP COCCCNC(=O)C[NH+]1CCC(CNC(=O)CC[NH+](C)C)CC1 ZINC001224338007 811758200 /nfs/dbraw/zinc/75/82/00/811758200.db2.gz PHQQCPFNUZLZSE-UHFFFAOYSA-N 2 0 342.484 -0.081 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001224534958 811763288 /nfs/dbraw/zinc/76/32/88/811763288.db2.gz BDISXJRBAGSZPL-GFCCVEGCSA-N 2 0 339.440 -0.506 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001225427272 811808932 /nfs/dbraw/zinc/80/89/32/811808932.db2.gz NTCOMXFTRIRDEK-AAEUAGOBSA-N 2 0 339.440 -0.650 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001225578188 811818548 /nfs/dbraw/zinc/81/85/48/811818548.db2.gz RJUPNXIJEMQMFT-CQSZACIVSA-N 2 0 338.452 -0.040 20 0 EBADRP O=C(NC1CC[NH+](CCOCCO)CC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001227454796 811922658 /nfs/dbraw/zinc/92/26/58/811922658.db2.gz VCTMYDOMBUNGJU-CVEARBPZSA-N 2 0 341.452 -0.561 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228263048 811972584 /nfs/dbraw/zinc/97/25/84/811972584.db2.gz ZGRBYDLEIFAILJ-CHWSQXEVSA-N 2 0 341.456 -0.199 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+](C)C ZINC001228354988 811976505 /nfs/dbraw/zinc/97/65/05/811976505.db2.gz GMXAQMIWYAUHOY-JHJVBQTASA-N 2 0 341.456 -0.201 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC001228356113 811976669 /nfs/dbraw/zinc/97/66/69/811976669.db2.gz ZTHYOHDLKCPKGI-CHWSQXEVSA-N 2 0 339.440 -0.493 20 0 EBADRP CN(CC[NH+]1CCC(NC(=O)CCC[NH+](C)C)CC1)S(C)(=O)=O ZINC001228895990 812003218 /nfs/dbraw/zinc/00/32/18/812003218.db2.gz UFACAIFGGAURQB-UHFFFAOYSA-N 2 0 348.513 -0.200 20 0 EBADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080382603 812004034 /nfs/dbraw/zinc/00/40/34/812004034.db2.gz UJZYKURGOBLAJM-UKRRQHHQSA-N 2 0 337.468 -0.210 20 0 EBADRP C[NH+](C)CCC(=O)NC1CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC001228998554 812008814 /nfs/dbraw/zinc/00/88/14/812008814.db2.gz GCHRRPYXLBTORU-UHFFFAOYSA-N 2 0 346.497 -0.446 20 0 EBADRP CCS(=O)(=O)NCCC[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001228999703 812009395 /nfs/dbraw/zinc/00/93/95/812009395.db2.gz USEMQIYEHYXSOG-UHFFFAOYSA-N 2 0 348.513 -0.152 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001229868476 812060715 /nfs/dbraw/zinc/06/07/15/812060715.db2.gz IQUQDSRICSOLLC-ZIAGYGMSSA-N 2 0 348.513 -0.106 20 0 EBADRP C[NH+](C)CCOCC(=O)NC1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC001230048447 812071640 /nfs/dbraw/zinc/07/16/40/812071640.db2.gz BRXODVBUYMEAJV-CQSZACIVSA-N 2 0 326.441 -0.576 20 0 EBADRP CCC[N@H+](C)CC(=O)NC1CC[NH+](CCN(C)S(C)(=O)=O)CC1 ZINC001230113208 812078309 /nfs/dbraw/zinc/07/83/09/812078309.db2.gz XHBMXYRWIYIBKJ-UHFFFAOYSA-N 2 0 348.513 -0.200 20 0 EBADRP CN(CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1)S(C)(=O)=O ZINC001230262973 812093758 /nfs/dbraw/zinc/09/37/58/812093758.db2.gz ZZZPLYMVZHFQET-CYBMUJFWSA-N 2 0 346.497 -0.590 20 0 EBADRP CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001230275260 812096601 /nfs/dbraw/zinc/09/66/01/812096601.db2.gz KGCGURXXJHRBKD-UKRRQHHQSA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH+](C)CCCC(=O)NC1(CO)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001080972925 812412335 /nfs/dbraw/zinc/41/23/35/812412335.db2.gz ASMJHIGZYRKUSA-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP CCOC(=O)c1c(CN2CC[NH2+]CCNCC[NH2+]CC2)cnn1C ZINC001235869382 812513397 /nfs/dbraw/zinc/51/33/97/812513397.db2.gz BPLOYAQBDGDJMW-UHFFFAOYSA-N 2 0 338.456 -0.819 20 0 EBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN(Cc2cccc(C(=O)NCC[NH3+])c2)C1 ZINC001235770772 812513675 /nfs/dbraw/zinc/51/36/75/812513675.db2.gz FYYBVMNXXIOQEN-HUUCEWRRSA-N 2 0 334.420 -0.303 20 0 EBADRP c1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc(-c2nn[nH]n2)c1 ZINC001235871629 812514830 /nfs/dbraw/zinc/51/48/30/812514830.db2.gz UMICERAQMPYVBI-UHFFFAOYSA-N 2 0 330.440 -0.549 20 0 EBADRP O=C([C@@H]1C[C@H](N2CC[NH+](CCCO)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001236264399 812516215 /nfs/dbraw/zinc/51/62/15/812516215.db2.gz SNGJPLPLMYVQRK-KBPBESRZSA-N 2 0 346.422 -0.416 20 0 EBADRP CC(C)(C)OC(=O)NCCN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310389 812516607 /nfs/dbraw/zinc/51/66/07/812516607.db2.gz YDEATXIMOLZTTM-UHFFFAOYSA-N 2 0 331.461 -0.373 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1cn(-c2cnccn2)cn1 ZINC001236316791 812517322 /nfs/dbraw/zinc/51/73/22/812517322.db2.gz USDFEJZUSVFBKW-UHFFFAOYSA-N 2 0 346.439 -0.722 20 0 EBADRP CC(C)[NH+]1CCN(CCNS(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC001238523646 812529068 /nfs/dbraw/zinc/52/90/68/812529068.db2.gz RICTVYSYJIFSMU-UHFFFAOYSA-N 2 0 332.514 -0.069 20 0 EBADRP COC(=O)c1cc(S(=O)(=O)NCCC[NH2+]CCC[NH3+])ccc1O ZINC001238878272 812535020 /nfs/dbraw/zinc/53/50/20/812535020.db2.gz AWMZVAWISSKXBT-UHFFFAOYSA-N 2 0 345.421 -0.214 20 0 EBADRP COCC[N@@H+]1CCOC[C@@]2(CCCN(S(=O)(=O)CC[NH3+])C2)C1 ZINC001239077140 812541176 /nfs/dbraw/zinc/54/11/76/812541176.db2.gz YRAQSTNFUAMFIF-AWEZNQCLSA-N 2 0 335.470 -0.664 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)Cc1ccccc1 ZINC001239132093 812547150 /nfs/dbraw/zinc/54/71/50/812547150.db2.gz ZJXMKHIEQHWHEH-UHFFFAOYSA-N 2 0 342.465 -0.368 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)Cc1cccnc1 ZINC001239131630 812547233 /nfs/dbraw/zinc/54/72/33/812547233.db2.gz SHCBBGOECSHHNU-UHFFFAOYSA-N 2 0 343.453 -0.973 20 0 EBADRP [NH3+][C@@H]1CCN(c2ncccc2NC[C@H](O)CC2(O)CC[NH2+]CC2)C1 ZINC001245959808 812556202 /nfs/dbraw/zinc/55/62/02/812556202.db2.gz WXLIIJMHLDQEDD-ZIAGYGMSSA-N 2 0 335.452 -0.104 20 0 EBADRP O[C@H](C[NH2+]C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)CC1(O)CC[NH2+]CC1 ZINC001245978680 812556939 /nfs/dbraw/zinc/55/69/39/812556939.db2.gz OXDZKXAOXMQTFJ-HLLBOEOZSA-N 3 0 327.469 -0.400 20 0 EBADRP CC(C)(C)OC(=O)[C@H](CCC[NH3+])NC[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001245981817 812557159 /nfs/dbraw/zinc/55/71/59/812557159.db2.gz BXRARIIKEHMZIU-KGLIPLIRSA-N 2 0 345.484 -0.109 20 0 EBADRP O[C@H](C[NH2+]C[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)CC1(O)CC[NH2+]CC1 ZINC001245978681 812557397 /nfs/dbraw/zinc/55/73/97/812557397.db2.gz OXDZKXAOXMQTFJ-VYDXJSESSA-N 3 0 327.469 -0.400 20 0 EBADRP O[C@H](C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)CO1)CC1(O)CC[NH2+]CC1 ZINC001245978301 812557527 /nfs/dbraw/zinc/55/75/27/812557527.db2.gz AWUJIJJCDAZJII-HOTGVXAUSA-N 3 0 341.496 -0.010 20 0 EBADRP CC(C)(C)OC(=O)[C@@H](N)CC[NH2+]C[C@H](O)CC1(O)CC[NH2+]CC1 ZINC001246002947 812558245 /nfs/dbraw/zinc/55/82/45/812558245.db2.gz VXVMYQASEVQPHX-OLZOCXBDSA-N 2 0 331.457 -0.499 20 0 EBADRP [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@H]1CC[NH2+]C[C@@H]1CO ZINC001246000929 812558523 /nfs/dbraw/zinc/55/85/23/812558523.db2.gz FBIRMHBRGLUXKP-MSQAHXEGSA-N 2 0 329.391 -0.245 20 0 EBADRP O[C@@H](C[NH2+]CC[C@@H]1CCOC12CC[NH2+]CC2)CC1(O)CC[NH2+]CC1 ZINC001245987332 812558672 /nfs/dbraw/zinc/55/86/72/812558672.db2.gz ZJNGFXBVSTUJSU-HZPDHXFCSA-N 3 0 341.496 -0.010 20 0 EBADRP [NH3+]CCCNCCC[NH2+]C[C@H](O)COc1ccc(CCO)cc1 ZINC001246007729 812559041 /nfs/dbraw/zinc/55/90/41/812559041.db2.gz GBQOQLKGGRHLOG-INIZCTEOSA-N 2 0 325.453 -0.121 20 0 EBADRP [NH3+]CC1CN([C@H]2CCC[N@H+](C[C@H](O)CC3(O)CC[NH2+]CC3)C2)C1 ZINC001246047278 812560632 /nfs/dbraw/zinc/56/06/32/812560632.db2.gz CPZKUKANNVKGKT-JKSUJKDBSA-N 3 0 326.485 -0.793 20 0 EBADRP COCCCN(C[C@@H](O)CC1(O)CC[NH2+]CC1)[C@H]1CCC[NH2+]C1 ZINC001246046537 812561224 /nfs/dbraw/zinc/56/12/24/812561224.db2.gz ROZPUCOZABYKSR-HOTGVXAUSA-N 2 0 329.485 -0.058 20 0 EBADRP COC(=O)[C@@H]1CN(C[C@@H](O)[C@@H]([NH3+])Cc2cc(F)cc(F)c2)C[C@H]1[NH3+] ZINC001246053536 812562529 /nfs/dbraw/zinc/56/25/29/812562529.db2.gz SBTBUXZQQGWZCJ-LXTVHRRPSA-N 2 0 343.374 -0.372 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@@H](O)COCc1ccco1 ZINC001246056910 812562648 /nfs/dbraw/zinc/56/26/48/812562648.db2.gz WWFHRAOPVXCTEZ-CQSZACIVSA-N 2 0 342.440 -0.727 20 0 EBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)C[C@H]1C(=O)OC ZINC001246083259 812563722 /nfs/dbraw/zinc/56/37/22/812563722.db2.gz NUCFQGIADKSXSL-ZRTFPUAOSA-N 2 0 346.399 -0.231 20 0 EBADRP O=C([C@@H]1C[C@H]([NH2+]CCCOC2CC[NH2+]CC2)CN1)N1CCSC1 ZINC001246115067 812565277 /nfs/dbraw/zinc/56/52/77/812565277.db2.gz QHFUBWSSFRWHAZ-ZFWWWQNUSA-N 2 0 342.509 -0.002 20 0 EBADRP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)CCN1 ZINC001246143905 812565819 /nfs/dbraw/zinc/56/58/19/812565819.db2.gz KCEZHCVJUILAAG-HGTKMLMNSA-N 2 0 327.425 -0.735 20 0 EBADRP CS(=O)(=O)N1CCC([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001246142573 812566193 /nfs/dbraw/zinc/56/61/93/812566193.db2.gz IYGHJHHZBAFTDQ-CQSZACIVSA-N 2 0 330.498 -0.126 20 0 EBADRP O=C([C@@H]1C[C@H](NC[C@H]2CC3(CC[NH2+]CC3)O2)C[NH2+]1)N1CCSC1 ZINC001246132703 812566363 /nfs/dbraw/zinc/56/63/63/812566363.db2.gz NANLDDJSJVPRBJ-MJBXVCDLSA-N 2 0 340.493 -0.250 20 0 EBADRP [NH3+]CCCOCCOCCOCCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246202388 812568160 /nfs/dbraw/zinc/56/81/60/812568160.db2.gz OJQLJGQPEONRGW-MRXNPFEDSA-N 3 0 344.500 -0.541 20 0 EBADRP NC(=[NH2+])N([C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)C1CC[NH2+]CC1 ZINC001246193528 812568692 /nfs/dbraw/zinc/56/86/92/812568692.db2.gz GXRCCKZLVKYZKP-NEPJUHHUSA-N 3 0 326.470 -0.803 20 0 EBADRP O=C([C@@H]1C[C@@H](NC2CN(C3CC[NH2+]CC3)C2)C[NH2+]1)N1CCSC1 ZINC001246217390 812568715 /nfs/dbraw/zinc/56/87/15/812568715.db2.gz GFIKDOHUMAHUKH-DOMZBBRYSA-N 2 0 339.509 -0.724 20 0 EBADRP CCS(=O)(=O)N1CCC(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246366202 812571539 /nfs/dbraw/zinc/57/15/39/812571539.db2.gz NBMCJTDGOSBBAP-CQSZACIVSA-N 2 0 330.498 -0.268 20 0 EBADRP [NH3+]C[C@@]1(O)CCCN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC1 ZINC001246543452 812575064 /nfs/dbraw/zinc/57/50/64/812575064.db2.gz NITKBEFYLAINNP-KCQAQPDRSA-N 2 0 328.482 -0.575 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)CCN1 ZINC001246629197 812578369 /nfs/dbraw/zinc/57/83/69/812578369.db2.gz PUYJWEZJBUKZPU-IIYDPXPESA-N 2 0 336.436 -0.918 20 0 EBADRP C1[NH2+]CC12C[C@H]([NH+]1CCN(C3=NOC4(C3)CC[NH2+]CC4)CC1)CCN2 ZINC001246662830 812579407 /nfs/dbraw/zinc/57/94/07/812579407.db2.gz BGLBMSQUVMHAGW-OAHLLOKOSA-N 3 0 348.495 -0.446 20 0 EBADRP COCC[N@@H+]1CCO[C@@H]2C[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]2C1 ZINC001246727962 812584412 /nfs/dbraw/zinc/58/44/12/812584412.db2.gz ISFSZNBBQDWWKJ-BRWVUGGUSA-N 3 0 338.496 -0.251 20 0 EBADRP O=C(NCC1CC1)c1nn([C@H]2CCNC3(C[NH2+]C3)C2)c2c1C[NH2+]CC2 ZINC001246763461 812585942 /nfs/dbraw/zinc/58/59/42/812585942.db2.gz ZPVPHDQIPXDRLW-ZDUSSCGKSA-N 2 0 344.463 -0.065 20 0 EBADRP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN([C@@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]21 ZINC001246760954 812586586 /nfs/dbraw/zinc/58/65/86/812586586.db2.gz RRSNZLNVYRCTCD-NCOADZHNSA-N 2 0 345.495 -0.233 20 0 EBADRP COC(=O)[C@@H]1C[C@@H]([NH3+])CN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)C1 ZINC001246799893 812589189 /nfs/dbraw/zinc/58/91/89/812589189.db2.gz UVZXLOJZVQPADJ-NDBYEHHHSA-N 2 0 342.465 -0.928 20 0 EBADRP COC(=O)C[C@@H]1C[NH2+]CCN1[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246817916 812589394 /nfs/dbraw/zinc/58/93/94/812589394.db2.gz OHHCRTZIAPZAPU-XQQFMLRXSA-N 2 0 342.465 -0.913 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001246925816 812592703 /nfs/dbraw/zinc/59/27/03/812592703.db2.gz PRWVJTONUIHCNZ-ZIAGYGMSSA-N 3 0 325.457 -0.744 20 0 EBADRP COC(=O)C1CCC([N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])CC1 ZINC001246926026 812593348 /nfs/dbraw/zinc/59/33/48/812593348.db2.gz RDKCPFDIYRPOOG-UHFFFAOYSA-N 2 0 328.457 -0.166 20 0 EBADRP COCCCN([C@@H]1CC[NH2+]C1)[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246979096 812594791 /nfs/dbraw/zinc/59/47/91/812594791.db2.gz MDCUSGFHZVDPGQ-KFWWJZLASA-N 2 0 342.509 -0.050 20 0 EBADRP O=C1CC2(C[NH2+]C2)[C@@H](c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)N1 ZINC001247870579 812603494 /nfs/dbraw/zinc/60/34/94/812603494.db2.gz OCYJNXCJGRDXRP-CYBMUJFWSA-N 2 0 326.360 -0.072 20 0 EBADRP C[NH+]1CCN(C[C@H]2CCC[C@]3(CC[N@H+](C[C@H](O)CO)C3)O2)CC1 ZINC001252059248 812644858 /nfs/dbraw/zinc/64/48/58/812644858.db2.gz SIUFVYZXQVWOMK-GVDBMIGSSA-N 2 0 327.469 -0.399 20 0 EBADRP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C(=O)NCC(N)=O ZINC001254052362 812692878 /nfs/dbraw/zinc/69/28/78/812692878.db2.gz DTMQXOBWWKXUER-AWEZNQCLSA-N 2 0 348.447 -0.407 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001256780778 812739194 /nfs/dbraw/zinc/73/91/94/812739194.db2.gz VRSXTIIXIBICFN-CQSZACIVSA-N 2 0 328.457 -0.519 20 0 EBADRP C[NH+]1CCC(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC001257075699 812749623 /nfs/dbraw/zinc/74/96/23/812749623.db2.gz WFRVBPNTZWJHMG-UHFFFAOYSA-N 2 0 326.441 -0.575 20 0 EBADRP CC(C)[NH+]1CCC([NH2+]CCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)CC1 ZINC001257213222 812755034 /nfs/dbraw/zinc/75/50/34/812755034.db2.gz IUTWLGYCHLNCCY-BPKBQXTESA-N 2 0 332.441 -0.707 20 0 EBADRP COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+]C[C@@H](C[NH3+])C(=O)OC ZINC001257920062 812774107 /nfs/dbraw/zinc/77/41/07/812774107.db2.gz RXZPMTOGEXMBGO-GHMZBOCLSA-N 2 0 338.426 -0.920 20 0 EBADRP COC(=O)CCS(=O)(=O)CC[C@H](C)NC(=[NH2+])NCCCC[NH3+] ZINC001257919835 812774472 /nfs/dbraw/zinc/77/44/72/812774472.db2.gz QHUFLRBJGLNCEH-NSHDSACASA-N 2 0 336.458 -0.404 20 0 EBADRP C[NH+](C)CCN1CCC([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001261437668 812905983 /nfs/dbraw/zinc/90/59/83/812905983.db2.gz IHLGCEOLAKRAMW-KRWDZBQOSA-N 3 0 327.517 -0.790 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NOCC[NH+](C)C)CC1=O ZINC001261741545 812979588 /nfs/dbraw/zinc/97/95/88/812979588.db2.gz RTLVKYPMIKSCBP-UONOGXRCSA-N 2 0 326.441 -0.071 20 0 EBADRP CN(C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)C1(C[NH3+])CCCCC1 ZINC001262063873 813030663 /nfs/dbraw/zinc/03/06/63/813030663.db2.gz LLRJSFJTOGZOLI-AWEZNQCLSA-N 2 0 339.484 -0.532 20 0 EBADRP CN1CCN(C(=O)NCCN2CCSCC2)CC[N@H+](C)CC1 ZINC001262361560 813070013 /nfs/dbraw/zinc/07/00/13/813070013.db2.gz QJWPMOQPDSIVDN-UHFFFAOYSA-N 2 0 329.514 -0.076 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081498718 813072030 /nfs/dbraw/zinc/07/20/30/813072030.db2.gz DOQUTNNRTBAWFR-LSDHHAIUSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)CCCC(=O)N1C[C@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081502883 813086060 /nfs/dbraw/zinc/08/60/60/813086060.db2.gz LBBVBUDGYPNKER-GJZGRUSLSA-N 2 0 340.468 -0.641 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001262544147 813091940 /nfs/dbraw/zinc/09/19/40/813091940.db2.gz VEJCMXVSXHYCHM-ZIAGYGMSSA-N 2 0 328.457 -0.486 20 0 EBADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001262569309 813096471 /nfs/dbraw/zinc/09/64/71/813096471.db2.gz VESYXHBREIIUNA-IAGOWNOFSA-N 3 0 327.517 -0.790 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1O ZINC001081506551 813099166 /nfs/dbraw/zinc/09/91/66/813099166.db2.gz UJVRJRMRTXDURO-LSDHHAIUSA-N 2 0 342.484 -0.395 20 0 EBADRP C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC001262731083 813100490 /nfs/dbraw/zinc/10/04/90/813100490.db2.gz CUXJWNOOYBQULC-GFCCVEGCSA-N 2 0 334.424 -0.091 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001081553355 813165871 /nfs/dbraw/zinc/16/58/71/813165871.db2.gz IJNYIUCSHJDAOW-LSDHHAIUSA-N 2 0 342.484 -0.396 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCN1C(=O)CNC1=O ZINC001264718041 813203697 /nfs/dbraw/zinc/20/36/97/813203697.db2.gz WDGJDRVSBPODIJ-NEPJUHHUSA-N 2 0 325.413 -0.931 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001265043190 813227335 /nfs/dbraw/zinc/22/73/35/813227335.db2.gz DYYMOKMWBOEGJM-LBPRGKRZSA-N 2 0 341.456 -0.260 20 0 EBADRP C[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)CC(=O)N1CCOCC1 ZINC001265058473 813231303 /nfs/dbraw/zinc/23/13/03/813231303.db2.gz VLIUFASETYUFQE-OAHLLOKOSA-N 2 0 340.468 -0.375 20 0 EBADRP CC[N@H+](CCCNC(=O)C[NH+]1CCCC1)CC(=O)NC(=O)NC ZINC001265146272 813247450 /nfs/dbraw/zinc/24/74/50/813247450.db2.gz SIXQOTGVAUTVFV-UHFFFAOYSA-N 2 0 327.429 -0.634 20 0 EBADRP COC[C@@H](O)C[NH+]1CCN(CCCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001265240217 813269311 /nfs/dbraw/zinc/26/93/11/813269311.db2.gz JVUFMTFZKHIJJF-HOTGVXAUSA-N 2 0 342.484 -0.788 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCN1C(=O)CCC1=O)C1CC1 ZINC001265349736 813309155 /nfs/dbraw/zinc/30/91/55/813309155.db2.gz HCVHYQFHABQVIP-KBPBESRZSA-N 2 0 336.436 -0.286 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1O ZINC001081636131 813344003 /nfs/dbraw/zinc/34/40/03/813344003.db2.gz ZLKQJXDYMXARGC-KBPBESRZSA-N 2 0 328.457 -0.785 20 0 EBADRP CC(C)[C@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH2+]CCO)C1)[NH+](C)C ZINC001265881776 813402575 /nfs/dbraw/zinc/40/25/75/813402575.db2.gz OPPQZNRLVQDSQM-HUUCEWRRSA-N 2 0 342.484 -0.491 20 0 EBADRP CO[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001081686381 813403201 /nfs/dbraw/zinc/40/32/01/813403201.db2.gz SHVHVMDQQVIMTD-NWANDNLSSA-N 2 0 339.440 -0.746 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001265903379 813410312 /nfs/dbraw/zinc/41/03/12/813410312.db2.gz OZUVYKJQLFCTBJ-UONOGXRCSA-N 2 0 346.497 -0.401 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001265917424 813414642 /nfs/dbraw/zinc/41/46/42/813414642.db2.gz NXBCTHXOLFBFSR-GFCCVEGCSA-N 2 0 341.456 -0.390 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001265989078 813434193 /nfs/dbraw/zinc/43/41/93/813434193.db2.gz AZHPOMQDDVKUIV-LSDHHAIUSA-N 2 0 337.468 -0.066 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081703647 813442554 /nfs/dbraw/zinc/44/25/54/813442554.db2.gz SUYNDWHYRXFHDF-CABCVRRESA-N 2 0 342.484 -0.396 20 0 EBADRP CC[C@H](C(=O)NCCC[N@H+](CC)[C@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001266054030 813446524 /nfs/dbraw/zinc/44/65/24/813446524.db2.gz GCYKZRXFJIJSOS-OLZOCXBDSA-N 2 0 326.441 -0.040 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001081732026 813485245 /nfs/dbraw/zinc/48/52/45/813485245.db2.gz BNFXNJBDHWDYAP-HUUCEWRRSA-N 2 0 342.484 -0.395 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1O ZINC001081732335 813486574 /nfs/dbraw/zinc/48/65/74/813486574.db2.gz GOKVEVMSIHIECH-LSDHHAIUSA-N 2 0 340.468 -0.785 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1O ZINC001081732334 813486950 /nfs/dbraw/zinc/48/69/50/813486950.db2.gz GOKVEVMSIHIECH-HUUCEWRRSA-N 2 0 340.468 -0.785 20 0 EBADRP CC[NH+](C)CCC(=O)N1C[C@H](O)[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001081774927 813542587 /nfs/dbraw/zinc/54/25/87/813542587.db2.gz VZTSECREEUGBSF-CABCVRRESA-N 2 0 342.484 -0.395 20 0 EBADRP COCCCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001266559829 813609958 /nfs/dbraw/zinc/60/99/58/813609958.db2.gz OPWUITVHUBQRKF-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP CN(CC[NH2+]CCN1C(=O)CCC1=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266701680 813645649 /nfs/dbraw/zinc/64/56/49/813645649.db2.gz ATBBMPRBWPGISO-AWEZNQCLSA-N 2 0 336.436 -0.475 20 0 EBADRP CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001081959789 813692071 /nfs/dbraw/zinc/69/20/71/813692071.db2.gz YCBUDMGSUQDRPZ-QJNCVLDKSA-N 2 0 339.436 -0.953 20 0 EBADRP CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001266897169 813694253 /nfs/dbraw/zinc/69/42/53/813694253.db2.gz DVLPCGHEEBJIEA-UHFFFAOYSA-N 2 0 335.408 -0.395 20 0 EBADRP CN(CC[NH2+]CC(=O)NC(N)=O)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001266972788 813714942 /nfs/dbraw/zinc/71/49/42/813714942.db2.gz MYXNUUOCXSOXIY-UHFFFAOYSA-N 2 0 339.440 -0.649 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](C[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001267064503 813750368 /nfs/dbraw/zinc/75/03/68/813750368.db2.gz IQWQEXGLOACLDG-KGLIPLIRSA-N 2 0 331.482 -0.189 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267068085 813751550 /nfs/dbraw/zinc/75/15/50/813751550.db2.gz CRZXKBVCGGSWJR-ZIAGYGMSSA-N 2 0 346.497 -0.685 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001082520514 813962462 /nfs/dbraw/zinc/96/24/62/813962462.db2.gz BOSUWEVVYNWFEN-FDYHWXHSSA-N 2 0 336.440 -0.615 20 0 EBADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001082562212 813967671 /nfs/dbraw/zinc/96/76/71/813967671.db2.gz XPNIOJRYHPWTPQ-MRVWCRGKSA-N 2 0 336.436 -0.288 20 0 EBADRP CC(=O)NCCOCC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267698629 813993667 /nfs/dbraw/zinc/99/36/67/813993667.db2.gz CYSLWOQQEHFUIT-HNNXBMFYSA-N 2 0 326.441 -0.861 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1)[NH+](C)C ZINC001082747267 814004545 /nfs/dbraw/zinc/00/45/45/814004545.db2.gz IGTICYOUIRQPDO-KFWWJZLASA-N 2 0 340.468 -0.378 20 0 EBADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]CCN1C(=O)CCC1=O ZINC001268001372 814087806 /nfs/dbraw/zinc/08/78/06/814087806.db2.gz ASCTUMXNVNPPIX-CYBMUJFWSA-N 2 0 338.452 -0.181 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268397222 814231583 /nfs/dbraw/zinc/23/15/83/814231583.db2.gz WJTWAHHNIDQSNL-NEPJUHHUSA-N 2 0 327.429 -0.589 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCN(CC)C(=O)C1CC[NH+](C)CC1 ZINC001268476720 814257808 /nfs/dbraw/zinc/25/78/08/814257808.db2.gz SMXTVRVIBZJAEH-UHFFFAOYSA-N 2 0 341.456 -0.388 20 0 EBADRP CCN(CC[NH2+]CC(=O)N(C)C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001268497830 814265351 /nfs/dbraw/zinc/26/53/51/814265351.db2.gz IUCNFTRYPIYYLD-CQSZACIVSA-N 2 0 328.457 -0.519 20 0 EBADRP C[N@H+](CC(=O)NC/C=C/C[NH2+]CC(=O)N1CCOCC1)C1CCC1 ZINC001268550477 814286215 /nfs/dbraw/zinc/28/62/15/814286215.db2.gz PQFRTHWBMBVAOX-NSCUHMNNSA-N 2 0 338.452 -0.409 20 0 EBADRP C[N@H+](CC(=O)NC/C=C\C[NH2+]CC(=O)N1CCOCC1)C1CCC1 ZINC001268550476 814287061 /nfs/dbraw/zinc/28/70/61/814287061.db2.gz PQFRTHWBMBVAOX-IHWYPQMZSA-N 2 0 338.452 -0.409 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001268556726 814290425 /nfs/dbraw/zinc/29/04/25/814290425.db2.gz QPIMQEGJPPLZOW-ZYOFXKKJSA-N 2 0 325.413 -0.812 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCN1CCCS1(=O)=O ZINC001268576404 814301378 /nfs/dbraw/zinc/30/13/78/814301378.db2.gz VQXYDTZZYPYPBN-PYLYLYNFSA-N 2 0 344.481 -0.622 20 0 EBADRP C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268711835 814361788 /nfs/dbraw/zinc/36/17/88/814361788.db2.gz WXIKLWMMZDLXAY-QWHCGFSZSA-N 2 0 334.486 -0.686 20 0 EBADRP CCOCCNC(=O)CN1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001268844280 814410419 /nfs/dbraw/zinc/41/04/19/814410419.db2.gz OTWMOBPMWZNTLC-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP CCN1CCO[C@H](C(=O)N(C)CCC[NH2+]CC(=O)N2CCC2)C1 ZINC001268954822 814456402 /nfs/dbraw/zinc/45/64/02/814456402.db2.gz RKGFEZSFTANWTO-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)C[N@H+](C)C(C)C ZINC001268959296 814457943 /nfs/dbraw/zinc/45/79/43/814457943.db2.gz XNRXFBXNDLUUCB-LBPRGKRZSA-N 2 0 329.445 -0.391 20 0 EBADRP C[C@H](F)CC[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083470237 814464720 /nfs/dbraw/zinc/46/47/20/814464720.db2.gz GVOCGWPWGZAWGQ-CFVMTHIKSA-N 2 0 341.431 -0.032 20 0 EBADRP CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083470197 814465378 /nfs/dbraw/zinc/46/53/78/814465378.db2.gz DSMBEXNJDUWMOV-CFVMTHIKSA-N 2 0 339.440 -0.746 20 0 EBADRP O=C(N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083655149 814664650 /nfs/dbraw/zinc/66/46/50/814664650.db2.gz ZASTUPWGTAELAJ-PLQZLIEUSA-N 2 0 335.448 -0.189 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001269422665 814685146 /nfs/dbraw/zinc/68/51/46/814685146.db2.gz JUJKZIMRKKILMM-STQMWFEESA-N 2 0 336.436 -0.096 20 0 EBADRP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCN1C(=O)CNC1=O ZINC001269426267 814687149 /nfs/dbraw/zinc/68/71/49/814687149.db2.gz WXAHIPWMTQAZLY-QWHCGFSZSA-N 2 0 339.440 -0.493 20 0 EBADRP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCN1C(=O)CNC1=O ZINC001269493170 814711691 /nfs/dbraw/zinc/71/16/91/814711691.db2.gz UCQXBEIQYGPXHK-GFCCVEGCSA-N 2 0 337.424 -0.882 20 0 EBADRP C[C@@H](C(=O)N1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2)[NH+](C)C ZINC001269796854 815608516 /nfs/dbraw/zinc/60/85/16/815608516.db2.gz LBVDMKNMNCNDOK-XJKSGUPXSA-N 2 0 326.441 -0.672 20 0 EBADRP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001083851103 815649602 /nfs/dbraw/zinc/64/96/02/815649602.db2.gz NESPSQPNDVUWID-YUELXQCFSA-N 2 0 339.440 -0.746 20 0 EBADRP CS(=O)(=O)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001270050815 815674012 /nfs/dbraw/zinc/67/40/12/815674012.db2.gz PKSNSWVLGVJZJL-CABCVRRESA-N 2 0 343.493 -0.047 20 0 EBADRP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]CCN(C)S(C)(=O)=O ZINC001270437297 815778447 /nfs/dbraw/zinc/77/84/47/815778447.db2.gz YUEYGZUSLZKKCP-KGLIPLIRSA-N 2 0 348.513 -0.296 20 0 EBADRP CC(=O)NCCOCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001270557371 815813049 /nfs/dbraw/zinc/81/30/49/815813049.db2.gz KGOXBXDGIKJZGG-WBVHZDCISA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001084351871 815900609 /nfs/dbraw/zinc/90/06/09/815900609.db2.gz CBRKQQIAWFYCKT-SQWLQELKSA-N 2 0 335.452 -0.028 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3C[C@@]3(C(=O)NC3CC[NH+](C)CC3)C2)C1 ZINC001271175118 816018395 /nfs/dbraw/zinc/01/83/95/816018395.db2.gz HPVXPBNGYGIWGH-HBUWYVDXSA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)C[NH+]1CCCC1 ZINC001271206916 816035252 /nfs/dbraw/zinc/03/52/52/816035252.db2.gz KWVKZFYWVONCSX-LBPRGKRZSA-N 2 0 325.413 -0.930 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCNC2=O)C1 ZINC001085422053 816048956 /nfs/dbraw/zinc/04/89/56/816048956.db2.gz GEIRKBNIJRGSCT-RRFJBIMHSA-N 2 0 337.468 -0.020 20 0 EBADRP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)C34CC[NH+](CC3)CC4)C[C@@H]21 ZINC001271290538 816064799 /nfs/dbraw/zinc/06/47/99/816064799.db2.gz OOKVKGWFTKXKRZ-HOTGVXAUSA-N 2 0 336.480 -0.055 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001271423966 816102838 /nfs/dbraw/zinc/10/28/38/816102838.db2.gz AQJJUXITYGYDTJ-KBPBESRZSA-N 2 0 348.513 -0.296 20 0 EBADRP C[NH+]1CCC(O)(C(=O)N2CC3(C2)CC[N@H+](CCn2ccnc2)C3)CC1 ZINC001271802589 816216356 /nfs/dbraw/zinc/21/63/56/816216356.db2.gz YYAZCFCOIQGBTC-UHFFFAOYSA-N 2 0 347.463 -0.126 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1)C(N)=O ZINC001086150924 816249594 /nfs/dbraw/zinc/24/95/94/816249594.db2.gz GZANVVRYXUFKOP-BUYCDISCSA-N 2 0 336.436 -0.792 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1)C(N)=O ZINC001086150925 816249644 /nfs/dbraw/zinc/24/96/44/816249644.db2.gz GZANVVRYXUFKOP-GLLDOGJZSA-N 2 0 336.436 -0.792 20 0 EBADRP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001271940834 816261299 /nfs/dbraw/zinc/26/12/99/816261299.db2.gz LKAHSLGTWWVPEK-BBWFWOEESA-N 2 0 336.480 -0.199 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)cn1 ZINC001086221606 816272579 /nfs/dbraw/zinc/27/25/79/816272579.db2.gz BCVVBLZGXJBYBQ-CFVMTHIKSA-N 2 0 348.451 -0.569 20 0 EBADRP O=C(NC[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001086254271 816279243 /nfs/dbraw/zinc/27/92/43/816279243.db2.gz RVBKCHICCAEVRH-FRRDWIJNSA-N 2 0 334.420 -0.628 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1)c1nnnn1C ZINC001086254201 816279526 /nfs/dbraw/zinc/27/95/26/816279526.db2.gz OGTKYHCUZUYOPE-UPJWGTAASA-N 2 0 333.440 -0.149 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001086272166 816285280 /nfs/dbraw/zinc/28/52/80/816285280.db2.gz WULJCVHBMAYJLN-KBXIAJHMSA-N 2 0 343.493 -0.143 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nc1=O ZINC001086368148 816309464 /nfs/dbraw/zinc/30/94/64/816309464.db2.gz TWRVZSQFPOSOGI-MRVWCRGKSA-N 2 0 348.451 -0.565 20 0 EBADRP Cn1nncc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001086373001 816310425 /nfs/dbraw/zinc/31/04/25/816310425.db2.gz HHCKDODCFSCNCN-IXYNUQLISA-N 2 0 348.451 -0.337 20 0 EBADRP Cn1ncc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)n1 ZINC001086373181 816310939 /nfs/dbraw/zinc/31/09/39/816310939.db2.gz ORXPCIYOILJHQW-DARAHFNDSA-N 2 0 348.451 -0.337 20 0 EBADRP Cc1nccnc1C[NH2+]CCN(CCO)C(=O)[C@@H]1CN(C)CCO1 ZINC001272135662 816322830 /nfs/dbraw/zinc/32/28/30/816322830.db2.gz AWJRFVULBNFQSF-HNNXBMFYSA-N 2 0 337.424 -0.974 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+][C@@H](C)C(N)=O)C2)C1 ZINC001086456854 816344348 /nfs/dbraw/zinc/34/43/48/816344348.db2.gz YRABLHZMGCRGMG-XUXIUFHCSA-N 2 0 326.441 -0.546 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CCN3CCNC3=O)C2)CC1 ZINC001086466787 816348331 /nfs/dbraw/zinc/34/83/31/816348331.db2.gz VHRNIJOZAZSNER-CTYIDZIISA-N 2 0 337.468 -0.162 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001086552002 816372124 /nfs/dbraw/zinc/37/21/24/816372124.db2.gz SJKFIHXQOJRPML-IHRRRGAJSA-N 2 0 336.436 -0.429 20 0 EBADRP O=C(NC[C@H]1CC[C@@H]([NH2+]CCN2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001086854170 816411189 /nfs/dbraw/zinc/41/11/89/816411189.db2.gz LEFPZFQHTXPSLJ-LSDHHAIUSA-N 2 0 349.479 -0.018 20 0 EBADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001087100883 816464811 /nfs/dbraw/zinc/46/48/11/816464811.db2.gz JJVMKLGYBWPGCM-RBSFLKMASA-N 2 0 338.452 -0.576 20 0 EBADRP CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)c2cnn(CC[NH+](C)C)c2)n1 ZINC001087260886 816493723 /nfs/dbraw/zinc/49/37/23/816493723.db2.gz IJRIJULYMQLSMR-UHFFFAOYSA-N 2 0 347.423 -0.020 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](CC[NH2+]CCN3CCNC3=O)C2)C1 ZINC001272641009 816499453 /nfs/dbraw/zinc/49/94/53/816499453.db2.gz ABQMCFMMKRTEHG-LSDHHAIUSA-N 2 0 337.468 -0.209 20 0 EBADRP C[C@@H](CC[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001272688959 816507783 /nfs/dbraw/zinc/50/77/83/816507783.db2.gz USLXHBGJZMINKK-WCQYABFASA-N 2 0 339.440 -0.447 20 0 EBADRP COC(CN1C[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O)OC ZINC001273031527 816571710 /nfs/dbraw/zinc/57/17/10/816571710.db2.gz WWNTWFWXQUBLIW-QGZVFWFLSA-N 2 0 341.452 -0.092 20 0 EBADRP CCCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001273238151 816614974 /nfs/dbraw/zinc/61/49/74/816614974.db2.gz WBSRGWYFOVROHJ-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001273299837 816636210 /nfs/dbraw/zinc/63/62/10/816636210.db2.gz IEUSUJXGHMDMPQ-HUUCEWRRSA-N 2 0 338.452 -0.480 20 0 EBADRP CNC(=O)C(C)(C)[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273840291 816783417 /nfs/dbraw/zinc/78/34/17/816783417.db2.gz WEJPNVRJBMDLHJ-QGZVFWFLSA-N 2 0 340.468 -0.377 20 0 EBADRP CNC(=O)C(C)(C)[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001273839225 816783840 /nfs/dbraw/zinc/78/38/40/816783840.db2.gz HSKWQVHNADZSLY-QGZVFWFLSA-N 2 0 338.452 -0.086 20 0 EBADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001274280791 816918053 /nfs/dbraw/zinc/91/80/53/816918053.db2.gz OVVXYDQJWOMEAE-OLZOCXBDSA-N 2 0 338.456 -0.223 20 0 EBADRP CC[C@@H](C(=O)N1CCC(O)(C[NH2+]CCS(C)(=O)=O)CC1)[NH+](C)C ZINC001274558669 817006294 /nfs/dbraw/zinc/00/62/94/817006294.db2.gz WNLYVKKQYVFHRA-ZDUSSCGKSA-N 2 0 349.497 -0.686 20 0 EBADRP COC(=O)[C@@H](O)C[N@@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001274604552 817030119 /nfs/dbraw/zinc/03/01/19/817030119.db2.gz VOHRODGOUBHQTD-WMLDXEAASA-N 2 0 341.452 -0.214 20 0 EBADRP C[C@H](C[NH2+]CCCN1C(=O)CNC1=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001274810540 817091130 /nfs/dbraw/zinc/09/11/30/817091130.db2.gz LTMDDUNRBZJKSS-OLZOCXBDSA-N 2 0 339.440 -0.493 20 0 EBADRP COCCOC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](CCOC)CC3)[C@@H]2C1 ZINC001274981530 817136284 /nfs/dbraw/zinc/13/62/84/817136284.db2.gz LBLNLNHAIXFGME-HUUCEWRRSA-N 2 0 341.452 -0.234 20 0 EBADRP O=C(N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001090424743 817389862 /nfs/dbraw/zinc/38/98/62/817389862.db2.gz HDKIDRLRCVRNDF-HOCLYGCPSA-N 2 0 345.403 -0.185 20 0 EBADRP CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](CCN2C(=O)CCC2=O)C1)[NH+](C)C ZINC001276431525 817403864 /nfs/dbraw/zinc/40/38/64/817403864.db2.gz FRTBYAQIRWZSAY-JSGCOSHPSA-N 2 0 338.452 -0.088 20 0 EBADRP CC1(C)C[N@H+](CCOCCO)C[C@H]1NC(=O)CCN1CCOCC1 ZINC001276615978 817438802 /nfs/dbraw/zinc/43/88/02/817438802.db2.gz PYUUHOHVQYPFKX-OAHLLOKOSA-N 2 0 343.468 -0.456 20 0 EBADRP Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001276616386 817440919 /nfs/dbraw/zinc/44/09/19/817440919.db2.gz BXMWBNXAYDIHFU-CHWSQXEVSA-N 2 0 347.419 -0.162 20 0 EBADRP O=C(NCC1([NH2+]CCN2C(=O)CCC2=O)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001277060020 817515514 /nfs/dbraw/zinc/51/55/14/817515514.db2.gz FELGOQLMJDKFMD-AWEZNQCLSA-N 2 0 348.447 -0.284 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCn3cncn3)C[C@H]2O)CC1 ZINC001090537392 817519529 /nfs/dbraw/zinc/51/95/29/817519529.db2.gz KUSBCMYFZGDPEU-LSDHHAIUSA-N 2 0 336.440 -0.829 20 0 EBADRP C[NH+](C)CCc1ccc(C(=O)N[C@H]2CC[N@H+](CCO)C[C@@H]2O)cc1 ZINC001090578388 817559078 /nfs/dbraw/zinc/55/90/78/817559078.db2.gz WPJFNOQDSJQJDX-IRXDYDNUSA-N 2 0 335.448 -0.052 20 0 EBADRP C[NH+]1CCC(C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NCCS(C)(=O)=O)C2)CC1 ZINC001277797324 817636327 /nfs/dbraw/zinc/63/63/27/817636327.db2.gz QMSHHZQBBJIXJY-GDBMZVCRSA-N 2 0 343.493 -0.189 20 0 EBADRP COCCOC[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](C[C@@H](C)O)CC3)[C@@H]2C1 ZINC001277961480 817663601 /nfs/dbraw/zinc/66/36/01/817663601.db2.gz YHJCBQUIFRXREW-RBSFLKMASA-N 2 0 341.452 -0.500 20 0 EBADRP Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090811753 817766389 /nfs/dbraw/zinc/76/63/89/817766389.db2.gz DHUYYBRLWZDMEA-HZPDHXFCSA-N 2 0 335.452 -0.390 20 0 EBADRP Cn1ccc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](O)C2)cc1=O ZINC001090818405 817774680 /nfs/dbraw/zinc/77/46/80/817774680.db2.gz VGWFYLVOJXRODY-HOTGVXAUSA-N 2 0 348.447 -0.468 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC001091035544 817846773 /nfs/dbraw/zinc/84/67/73/817846773.db2.gz AVMDDLSSSMXSOA-IKWCTNDRSA-N 2 0 336.440 -0.567 20 0 EBADRP C[NH+](C)CCCCC(=O)NC[C@]1(O)CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC001278816375 817846804 /nfs/dbraw/zinc/84/68/04/817846804.db2.gz QRPQUXWPRVGJHM-WMLDXEAASA-N 2 0 340.468 -0.450 20 0 EBADRP Cc1nc(C)n(CC[NH2+]C[C@@H](O)CN(C)C(=O)C[NH+]2CCCC2)n1 ZINC001278833240 817856760 /nfs/dbraw/zinc/85/67/60/817856760.db2.gz QJBQANKNJAVVDX-OAHLLOKOSA-N 2 0 338.456 -0.600 20 0 EBADRP CN(C(=O)C1([NH+](C)C)CCC1)C1CC([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001279242601 817914334 /nfs/dbraw/zinc/91/43/34/817914334.db2.gz VPSIDJCQTJWPPB-WXRRBKDZSA-N 2 0 336.436 -0.145 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCN2CCNC2=O)C1 ZINC001279999602 818010267 /nfs/dbraw/zinc/01/02/67/818010267.db2.gz NXGAQGZBPWRWDM-HUUCEWRRSA-N 2 0 337.468 -0.066 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCc1cn(C2C[NH+](C[C@H]3CCOC3)C2)nn1 ZINC001094279078 818200858 /nfs/dbraw/zinc/20/08/58/818200858.db2.gz WRMZZEBDYLHRHI-CJNGLKHVSA-N 2 0 348.451 -0.118 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCc1cn(C2C[NH+](C[C@@H]3CCOC3)C2)nn1 ZINC001094279080 818202054 /nfs/dbraw/zinc/20/20/54/818202054.db2.gz WRMZZEBDYLHRHI-XJKSGUPXSA-N 2 0 348.451 -0.118 20 0 EBADRP C[C@@H](CCNC(=O)C1CC[NH+](C)CC1)[NH2+]CCN1C(=O)CCC1=O ZINC001281745414 818274199 /nfs/dbraw/zinc/27/41/99/818274199.db2.gz YMBDHJQLECEFPJ-ZDUSSCGKSA-N 2 0 338.452 -0.038 20 0 EBADRP CN(C[C@@H]1CCN1C(=O)COCC[NH+](C)C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001282025574 818335661 /nfs/dbraw/zinc/33/56/61/818335661.db2.gz HXHCLXXDDRARNG-GJZGRUSLSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@@H](CCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001283174748 818686061 /nfs/dbraw/zinc/68/60/61/818686061.db2.gz ZGCQUNMJAWNHKL-WCQYABFASA-N 2 0 339.440 -0.602 20 0 EBADRP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCN1C(=O)CCC1=O)[NH+](C)C ZINC001283631329 818888876 /nfs/dbraw/zinc/88/88/76/818888876.db2.gz JCORNMAFOBSQOV-CHWSQXEVSA-N 2 0 326.441 -0.088 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]CCO[C@@H]2CC2(F)F)CC1 ZINC001283803393 818960072 /nfs/dbraw/zinc/96/00/72/818960072.db2.gz JKUQKEYVDDELNW-QWHCGFSZSA-N 2 0 335.395 -0.181 20 0 EBADRP NC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCc3nccn3C2)CC1 ZINC001098413106 819176271 /nfs/dbraw/zinc/17/62/71/819176271.db2.gz PALSOJRDNADMND-CYBMUJFWSA-N 2 0 349.435 -0.784 20 0 EBADRP CC[C@@H](C(=O)N1CCC([N@H+](CCO)C[C@@H](O)COC)CC1)[NH+](C)C ZINC001098479836 819209755 /nfs/dbraw/zinc/20/97/55/819209755.db2.gz BQWYOVCICRKZGX-CVEARBPZSA-N 2 0 345.484 -0.381 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CCn1cccn1)C(=O)C12CCC[NH+]1CCC2 ZINC001284430958 819228518 /nfs/dbraw/zinc/22/85/18/819228518.db2.gz ZHHZAOOVBPAFJO-HNNXBMFYSA-N 2 0 335.452 -0.080 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC([NH+](CCO)CC(=O)NC)CC1 ZINC001098524119 819229853 /nfs/dbraw/zinc/22/98/53/819229853.db2.gz CSTQXFHQQXSEIN-UHFFFAOYSA-N 2 0 328.457 -0.641 20 0 EBADRP CN(C)C(=O)C[N@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001098561127 819245230 /nfs/dbraw/zinc/24/52/30/819245230.db2.gz SVEJWMRIUVASNN-AWEZNQCLSA-N 2 0 340.468 -0.688 20 0 EBADRP COC[C@H](O)C[N@H+](CCO)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001098572550 819251411 /nfs/dbraw/zinc/25/14/11/819251411.db2.gz OAODOWOQLGYUOG-MRXNPFEDSA-N 2 0 345.484 -0.381 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H](C[NH2+][C@H]1CCC(=O)NC1=O)C(C)(C)C ZINC001284623825 819306817 /nfs/dbraw/zinc/30/68/17/819306817.db2.gz BKKJQPWXASIZQH-NWDGAFQWSA-N 2 0 326.441 -0.136 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CCOCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001284878001 819387258 /nfs/dbraw/zinc/38/72/58/819387258.db2.gz KIIMKCQPSPLHNO-ZDUSSCGKSA-N 2 0 326.441 -0.719 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CCOCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001284877996 819387951 /nfs/dbraw/zinc/38/79/51/819387951.db2.gz KIIMKCQPSPLHNO-CYBMUJFWSA-N 2 0 326.441 -0.719 20 0 EBADRP Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099871547 819806827 /nfs/dbraw/zinc/80/68/27/819806827.db2.gz GWWBJRQRDPDHIA-JKSUJKDBSA-N 2 0 349.479 -0.002 20 0 EBADRP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@H+](CCOCCO)C[C@H]2O)CCC1 ZINC001099872799 819812496 /nfs/dbraw/zinc/81/24/96/819812496.db2.gz ZMXFSIUGRSYKKU-ZIAGYGMSSA-N 2 0 329.441 -0.969 20 0 EBADRP C[N@H+](CC(=O)N[C@H]1CC[NH+](CCn2cncn2)C[C@@H]1O)C1CCC1 ZINC001099879489 819820537 /nfs/dbraw/zinc/82/05/37/819820537.db2.gz KTECJPLWABBVBA-GJZGRUSLSA-N 2 0 336.440 -0.686 20 0 EBADRP COCCOCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099880016 819825105 /nfs/dbraw/zinc/82/51/05/819825105.db2.gz UDDHSNIKBOLPKN-CVEARBPZSA-N 2 0 343.468 -0.315 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001099892085 819845086 /nfs/dbraw/zinc/84/50/86/819845086.db2.gz HJXOFGVQOTZDIQ-CABCVRRESA-N 2 0 343.468 -0.457 20 0 EBADRP Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099975003 819979749 /nfs/dbraw/zinc/97/97/49/819979749.db2.gz XLJSVEPEFPJVQZ-HZPDHXFCSA-N 2 0 337.468 -0.144 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1CCN(CC(=O)NC(C)(C)C)C[C@H]1O ZINC001099985277 819989014 /nfs/dbraw/zinc/98/90/14/819989014.db2.gz AKVPGZLYOCHOIB-QWHCGFSZSA-N 2 0 328.457 -0.596 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCN2CCCC2=O)C[C@H]1O ZINC001099986422 819992664 /nfs/dbraw/zinc/99/26/64/819992664.db2.gz KKHBXFGCBZECEH-UONOGXRCSA-N 2 0 326.441 -0.888 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2)C[C@@H]1O ZINC001099987228 819994384 /nfs/dbraw/zinc/99/43/84/819994384.db2.gz WOVKECPLHJEJBK-CVEARBPZSA-N 2 0 348.447 -0.211 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCc2cnn(C)c2)C[C@@H]1O ZINC001100063774 820144374 /nfs/dbraw/zinc/14/43/74/820144374.db2.gz CIBHFHUOXRGYDA-CVEARBPZSA-N 2 0 337.468 -0.144 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCc2ccnn2C)C[C@H]1O ZINC001100063668 820144593 /nfs/dbraw/zinc/14/45/93/820144593.db2.gz AWQWXCMIXWVLCX-HZPDHXFCSA-N 2 0 337.468 -0.144 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCc2cnn(C)c2)C[C@@H]1O ZINC001100063775 820144858 /nfs/dbraw/zinc/14/48/58/820144858.db2.gz CIBHFHUOXRGYDA-HOTGVXAUSA-N 2 0 337.468 -0.144 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCN2CCCC2=O)C[C@@H]1O ZINC001100063646 820144974 /nfs/dbraw/zinc/14/49/74/820144974.db2.gz ASOJFQQADMNKKN-CABCVRRESA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@H]1CC[N@H+](CCOCC2CC2)C[C@@H]1O ZINC001100075056 820168235 /nfs/dbraw/zinc/16/82/35/820168235.db2.gz XTUOMPHABFOYDH-HOTGVXAUSA-N 2 0 343.468 -0.457 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCc2cnn(C)c2)C[C@H]1O ZINC001100083219 820185124 /nfs/dbraw/zinc/18/51/24/820185124.db2.gz OOSZLZUNFNFPNB-JKSUJKDBSA-N 2 0 337.468 -0.144 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCN2CCCC2=O)C[C@H]1O ZINC001100132257 820270867 /nfs/dbraw/zinc/27/08/67/820270867.db2.gz QPFNMIPWBIURDK-HUUCEWRRSA-N 2 0 340.468 -0.500 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCN2CCCC2=O)C[C@@H]1O ZINC001100132255 820270997 /nfs/dbraw/zinc/27/09/97/820270997.db2.gz QPFNMIPWBIURDK-CABCVRRESA-N 2 0 340.468 -0.500 20 0 EBADRP COCCCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001100185903 820306618 /nfs/dbraw/zinc/30/66/18/820306618.db2.gz RURZNYQZOQGNAQ-NRXISQOPSA-N 2 0 340.468 -0.282 20 0 EBADRP O=C(NCC1CC([NH2+]CCOCCO)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001100336472 820364436 /nfs/dbraw/zinc/36/44/36/820364436.db2.gz ZBJBGUOLYKCEMN-AVVWSFFYSA-N 2 0 325.453 -0.179 20 0 EBADRP C[N@H+](CC(=O)NCC1CC([NH2+]CCS(C)(=O)=O)C1)C1CCC1 ZINC001100410615 820408188 /nfs/dbraw/zinc/40/81/88/820408188.db2.gz FHELJZVHSCRREB-UHFFFAOYSA-N 2 0 331.482 0.000 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1 ZINC001100446058 820423450 /nfs/dbraw/zinc/42/34/50/820423450.db2.gz MWEYRJJWIIEHEP-RUXDESIVSA-N 2 0 346.497 -0.496 20 0 EBADRP NC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001100506824 820450386 /nfs/dbraw/zinc/45/03/86/820450386.db2.gz JEXBUEFWXRWOJU-UHFFFAOYSA-N 2 0 344.375 -0.373 20 0 EBADRP CC(=O)NCCOCC[NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100619742 820489214 /nfs/dbraw/zinc/48/92/14/820489214.db2.gz FZMIEHAJJWVXSZ-UHFFFAOYSA-N 2 0 342.484 -0.035 20 0 EBADRP C[C@@H]([NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001100621206 820490339 /nfs/dbraw/zinc/49/03/39/820490339.db2.gz RJUCNKRZYLOMCM-VOMCLLRMSA-N 2 0 327.429 -0.604 20 0 EBADRP C[NH+]1CCC(C(=O)NCC2CC([NH2+]CCS(C)(=O)=O)C2)CC1 ZINC001100636074 820496463 /nfs/dbraw/zinc/49/64/63/820496463.db2.gz WAKSPIANLLUMCO-UHFFFAOYSA-N 2 0 331.482 -0.143 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100638555 820497570 /nfs/dbraw/zinc/49/75/70/820497570.db2.gz RLOUVPLBSWBQBR-NFOMZHRRSA-N 2 0 342.484 -0.036 20 0 EBADRP CC[C@@H](C(=O)NCC1CC([NH2+]CCN(C)S(C)(=O)=O)C1)[NH+](C)C ZINC001100683546 820511432 /nfs/dbraw/zinc/51/14/32/820511432.db2.gz GUKVIAOKYDIJOK-RUXDESIVSA-N 2 0 348.513 -0.298 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC1CC([NH2+]CC(=O)N2CCC2)C1 ZINC001100867234 820582993 /nfs/dbraw/zinc/58/29/93/820582993.db2.gz MBUCJIJZICAABV-UHFFFAOYSA-N 2 0 326.441 -0.719 20 0 EBADRP CCCNC(=O)C[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100870205 820584284 /nfs/dbraw/zinc/58/42/84/820584284.db2.gz BVYSHALHQLFXPL-UHFFFAOYSA-N 2 0 328.457 -0.425 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC1CC([NH2+]CCCS(C)(=O)=O)C1 ZINC001100871017 820585463 /nfs/dbraw/zinc/58/54/63/820585463.db2.gz XOHJJMRGPVOVHI-UHFFFAOYSA-N 2 0 349.497 -0.516 20 0 EBADRP CC(C)CNC(=O)C[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100870527 820585516 /nfs/dbraw/zinc/58/55/16/820585516.db2.gz IDXSBHSLWJNAKI-UHFFFAOYSA-N 2 0 342.484 -0.179 20 0 EBADRP COCCCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001100980896 820630579 /nfs/dbraw/zinc/63/05/79/820630579.db2.gz LKVKDCLDFBPSHO-SHARSMKWSA-N 2 0 340.468 -0.425 20 0 EBADRP CC(=O)NCCOCC[NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001100986578 820632770 /nfs/dbraw/zinc/63/27/70/820632770.db2.gz VNPLUTFPPCONCO-UHFFFAOYSA-N 2 0 340.468 -0.281 20 0 EBADRP O=C(C[NH+]1CCCC1)NCC1CC([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001100984315 820633019 /nfs/dbraw/zinc/63/30/19/820633019.db2.gz DOVXOIVPSNSCRJ-UHFFFAOYSA-N 2 0 336.436 -0.284 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1CC([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001101038049 820660937 /nfs/dbraw/zinc/66/09/37/820660937.db2.gz ZTJUQWGYPWTEDI-VOMCLLRMSA-N 2 0 327.429 -0.606 20 0 EBADRP COCCCNC(=O)C[NH2+]C1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001101039639 820661357 /nfs/dbraw/zinc/66/13/57/820661357.db2.gz VUPJKACOISQELJ-UHFFFAOYSA-N 2 0 342.484 -0.036 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101323192 820753724 /nfs/dbraw/zinc/75/37/24/820753724.db2.gz UXWNNZCNHPQSGK-ANQUJSFKSA-N 2 0 325.453 -0.132 20 0 EBADRP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@H+](CC(=O)NC(N)=O)C2 ZINC001101431264 820788686 /nfs/dbraw/zinc/78/86/86/820788686.db2.gz HPLMSZUBULPAHN-WBMJQRKESA-N 2 0 349.435 -0.943 20 0 EBADRP C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432486 820789911 /nfs/dbraw/zinc/78/99/11/820789911.db2.gz UFCCJRXKLRJKOH-IOASZLSFSA-N 2 0 326.441 -0.781 20 0 EBADRP CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432614 820790424 /nfs/dbraw/zinc/79/04/24/820790424.db2.gz VWYBRBYWKNRTDW-PBHICJAKSA-N 2 0 340.468 -0.519 20 0 EBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001102046155 821011235 /nfs/dbraw/zinc/01/12/35/821011235.db2.gz PIWVQCVKBIUXHE-VXGBXAGGSA-N 2 0 339.440 -0.650 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102496477 821126415 /nfs/dbraw/zinc/12/64/15/821126415.db2.gz XHLJBEXLNNYVHS-MCIONIFRSA-N 2 0 338.452 -0.183 20 0 EBADRP C[C@@H]1C[N@H+](CCOCCO)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001102514323 821134528 /nfs/dbraw/zinc/13/45/28/821134528.db2.gz UBRFOLGKLRPRSV-HUUCEWRRSA-N 2 0 325.453 -0.225 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1CN(C(=O)COCC[NH+](C)C)C1 ZINC001297069105 821312262 /nfs/dbraw/zinc/31/22/62/821312262.db2.gz CPUHOWSXLGKHRD-ZIAGYGMSSA-N 2 0 340.468 -0.236 20 0 EBADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103643790 821336362 /nfs/dbraw/zinc/33/63/62/821336362.db2.gz QLDAAWUDSNKROM-KFWWJZLASA-N 2 0 342.484 -0.097 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001104691828 821532832 /nfs/dbraw/zinc/53/28/32/821532832.db2.gz XNZCIBABMVKXDT-UPJWGTAASA-N 2 0 341.456 -0.404 20 0 EBADRP CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001104908096 821564265 /nfs/dbraw/zinc/56/42/65/821564265.db2.gz JEYLVRKNZQDBOA-ZIAGYGMSSA-N 2 0 328.457 -0.615 20 0 EBADRP C[NH+](C)CCC(=O)N1CC(n2cc(C[NH2+]C[C@@H]3CCOC3)nn2)C1 ZINC001105320769 821690722 /nfs/dbraw/zinc/69/07/22/821690722.db2.gz ISTZZGAXMGHTRU-ZDUSSCGKSA-N 2 0 336.440 -0.261 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105326922 821693800 /nfs/dbraw/zinc/69/38/00/821693800.db2.gz LUULKIVJOSUDQC-IUODEOHRSA-N 2 0 336.440 -0.669 20 0 EBADRP C[NH+](C)CCCCC(=O)N1CC(n2cc(C[NH2+]CCCO)nn2)C1 ZINC001105363160 821720557 /nfs/dbraw/zinc/72/05/57/821720557.db2.gz SBOFNSIQURKYGO-UHFFFAOYSA-N 2 0 338.456 -0.135 20 0 EBADRP Cn1cncc1CN1CC[NH+](CCCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001316966245 821947445 /nfs/dbraw/zinc/94/74/45/821947445.db2.gz MJRHAXFNTVZPES-INIZCTEOSA-N 2 0 348.495 -0.004 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2CCC([NH2+]CCNS(C)(=O)=O)CC2)C1 ZINC001317222143 822041883 /nfs/dbraw/zinc/04/18/83/822041883.db2.gz XBAZOXOKNVWPRS-HSBZDZAISA-N 2 0 346.497 -0.496 20 0 EBADRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCNS(C)(=O)=O ZINC001317243083 822045115 /nfs/dbraw/zinc/04/51/15/822045115.db2.gz UQXDTJVXBCYGCG-CYBMUJFWSA-N 2 0 348.513 -0.106 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCS(=O)(=O)N(C)C ZINC001317259308 822051995 /nfs/dbraw/zinc/05/19/95/822051995.db2.gz WCLADQIQWDGAIS-QWHCGFSZSA-N 2 0 334.486 -0.544 20 0 EBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCCS(=O)(=O)N(C)C ZINC001317289307 822065539 /nfs/dbraw/zinc/06/55/39/822065539.db2.gz MELIRLUUMIZISQ-CHWSQXEVSA-N 2 0 334.486 -0.686 20 0 EBADRP COCCOC[C@H](O)C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001317307679 822077393 /nfs/dbraw/zinc/07/73/93/822077393.db2.gz LKQFPSOEBJVZKF-LSDHHAIUSA-N 2 0 341.452 -0.703 20 0 EBADRP CC(=O)NCCOCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001317329300 822084974 /nfs/dbraw/zinc/08/49/74/822084974.db2.gz FEVJVTPPPNYEOB-HZPDHXFCSA-N 2 0 340.468 -0.329 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H](C[NH2+]CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001317341661 822088540 /nfs/dbraw/zinc/08/85/40/822088540.db2.gz BJBNMHNDOMRXJM-CHWSQXEVSA-N 2 0 334.486 -0.686 20 0 EBADRP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CCN1C(=O)CNC1=O ZINC001317405718 822102205 /nfs/dbraw/zinc/10/22/05/822102205.db2.gz JPZBUKNPCVCNGI-OLZOCXBDSA-N 2 0 339.440 -0.636 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317654094 822193005 /nfs/dbraw/zinc/19/30/05/822193005.db2.gz XPGYAQSIOVRBLY-CYBMUJFWSA-N 2 0 329.445 -0.534 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C[NH2+]CCCO ZINC001106453685 822271512 /nfs/dbraw/zinc/27/15/12/822271512.db2.gz RJGVEAKGJLIIQA-MYPHYYIGSA-N 2 0 337.464 -0.084 20 0 EBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001106599947 822295273 /nfs/dbraw/zinc/29/52/73/822295273.db2.gz QRPWWVAXEDAFPD-MCIONIFRSA-N 2 0 338.452 -0.183 20 0 EBADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106621636 822301089 /nfs/dbraw/zinc/30/10/89/822301089.db2.gz WNEJZPGRUSIRBS-DGCLKSJQSA-N 2 0 339.440 -0.793 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]CC(=O)Nc1nncs1 ZINC001128534415 828471481 /nfs/dbraw/zinc/47/14/81/828471481.db2.gz XSYZKCSVDXRNCW-JTQLQIEISA-N 2 0 346.432 -0.138 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]CCNS(=O)(=O)CC ZINC001128540116 828471830 /nfs/dbraw/zinc/47/18/30/828471830.db2.gz PUCQEYOAIZQYIH-GFCCVEGCSA-N 2 0 340.465 -0.689 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001128553349 828474012 /nfs/dbraw/zinc/47/40/12/828474012.db2.gz VUVNBMBUTLZVDN-KGLIPLIRSA-N 2 0 329.420 -0.370 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NCC ZINC001128774143 828524285 /nfs/dbraw/zinc/52/42/85/828524285.db2.gz MUUMMVUTDOPYII-OLZOCXBDSA-N 2 0 341.456 -0.199 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001128779146 828525832 /nfs/dbraw/zinc/52/58/32/828525832.db2.gz PLPUPHPEBJWWJC-ZDUSSCGKSA-N 2 0 334.486 -0.542 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106981375 823712332 /nfs/dbraw/zinc/71/23/32/823712332.db2.gz LNJSDDUFWGEZSA-MGPQQGTHSA-N 2 0 346.497 -0.829 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609405 823891180 /nfs/dbraw/zinc/89/11/80/823891180.db2.gz QQVAKSXKRKMHGT-RHSMWYFYSA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001129328426 828598791 /nfs/dbraw/zinc/59/87/91/828598791.db2.gz PJZVPDXXCLRWTO-ZDUSSCGKSA-N 2 0 339.440 -0.778 20 0 EBADRP O=C(NCC[NH2+]CCOCCO)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129363055 828604721 /nfs/dbraw/zinc/60/47/21/828604721.db2.gz FBIVGWSFAUDHLD-OAHLLOKOSA-N 2 0 329.441 -0.656 20 0 EBADRP C[NH+](C)C1(C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCOC2)CCC1 ZINC001129363547 828604727 /nfs/dbraw/zinc/60/47/27/828604727.db2.gz JJMAQCJKIGUIHO-CYBMUJFWSA-N 2 0 326.441 -0.671 20 0 EBADRP CCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129363905 828605904 /nfs/dbraw/zinc/60/59/04/828605904.db2.gz MFJXSLDOISOFTD-HNNXBMFYSA-N 2 0 340.468 -0.138 20 0 EBADRP Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)C3([NH+](C)C)CCC3)C2=O)cn1 ZINC001129364618 828606006 /nfs/dbraw/zinc/60/60/06/828606006.db2.gz YNOOOISYHIVZTD-AWEZNQCLSA-N 2 0 348.451 -0.285 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129364842 828606243 /nfs/dbraw/zinc/60/62/43/828606243.db2.gz ZXKBZUZOFZKQSA-CYBMUJFWSA-N 2 0 328.457 -0.282 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001129423931 828617739 /nfs/dbraw/zinc/61/77/39/828617739.db2.gz YKHVYXSXIRPQJC-HOTGVXAUSA-N 2 0 345.484 -0.021 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1)C1CC1 ZINC001129435292 828619110 /nfs/dbraw/zinc/61/91/10/828619110.db2.gz DVEAQAUBMWQYRE-UKRRQHHQSA-N 2 0 326.441 -0.672 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129435806 828619365 /nfs/dbraw/zinc/61/93/65/828619365.db2.gz JHUOHUKJZSFBQA-CMPLNLGQSA-N 2 0 327.429 -0.733 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)CCO1 ZINC001129442474 828620028 /nfs/dbraw/zinc/62/00/28/828620028.db2.gz AMSXRKQBTJWNKT-WFASDCNBSA-N 2 0 326.441 -0.720 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F)C1CC1 ZINC001129443123 828620354 /nfs/dbraw/zinc/62/03/54/828620354.db2.gz IHUWHPGADYGTJH-RYUDHWBXSA-N 2 0 341.374 -0.028 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)CCO1 ZINC001129442471 828620499 /nfs/dbraw/zinc/62/04/99/828620499.db2.gz AMSXRKQBTJWNKT-DOMZBBRYSA-N 2 0 326.441 -0.720 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1)C1CC1 ZINC001129449868 828621208 /nfs/dbraw/zinc/62/12/08/828621208.db2.gz QQRODBUOBGVCFG-ZBFHGGJFSA-N 2 0 343.468 -0.411 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CNC1=O ZINC001109674304 824583239 /nfs/dbraw/zinc/58/32/39/824583239.db2.gz ARCSBXMIWQCFSF-AGIUHOORSA-N 2 0 337.424 -0.789 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1 ZINC001109980687 824638500 /nfs/dbraw/zinc/63/85/00/824638500.db2.gz WLKOYGWNJPBZCE-ILXRZTDVSA-N 2 0 336.440 -0.422 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129840042 828680115 /nfs/dbraw/zinc/68/01/15/828680115.db2.gz FEAQWFZPCCLDQD-OAHLLOKOSA-N 2 0 328.457 -0.281 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001129841944 828680147 /nfs/dbraw/zinc/68/01/47/828680147.db2.gz RERPXECAIQQZPU-GJZGRUSLSA-N 2 0 340.468 -0.281 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001129840770 828680679 /nfs/dbraw/zinc/68/06/79/828680679.db2.gz JESPEGHEAOOQCX-AWEZNQCLSA-N 2 0 346.497 -0.398 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001129919199 828693853 /nfs/dbraw/zinc/69/38/53/828693853.db2.gz QFGKDROLHHMARA-MJBXVCDLSA-N 2 0 338.456 -0.269 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1)[NH+](C)C ZINC001129950430 828699386 /nfs/dbraw/zinc/69/93/86/828699386.db2.gz TWRNDQXDNBGLTO-ZFWWWQNUSA-N 2 0 328.457 -0.569 20 0 EBADRP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130125540 828736984 /nfs/dbraw/zinc/73/69/84/828736984.db2.gz SLOVVGFRNOPOPE-KFWWJZLASA-N 2 0 336.440 -0.250 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)CC2(CC[NH+](CCO)CC2)O1 ZINC001111553007 825199267 /nfs/dbraw/zinc/19/92/67/825199267.db2.gz RSBZENBKIDQYCH-OAHLLOKOSA-N 2 0 343.468 -0.361 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130188983 828751751 /nfs/dbraw/zinc/75/17/51/828751751.db2.gz LFHKIYMTKKBTQC-CHWSQXEVSA-N 2 0 332.470 -0.742 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)[NH+](C)C ZINC001130203775 828754902 /nfs/dbraw/zinc/75/49/02/828754902.db2.gz XFYWMQMGQNCOEE-QWHCGFSZSA-N 2 0 334.486 -0.686 20 0 EBADRP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130230764 828761801 /nfs/dbraw/zinc/76/18/01/828761801.db2.gz UYZKIOTZVVNJHG-CQSZACIVSA-N 2 0 342.484 -0.035 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001130303339 828776678 /nfs/dbraw/zinc/77/66/78/828776678.db2.gz AGRKORJVDJUDMJ-ZIAGYGMSSA-N 2 0 326.441 -0.671 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130306102 828777749 /nfs/dbraw/zinc/77/77/49/828777749.db2.gz ROGJTYSTXTYZST-QWHCGFSZSA-N 2 0 341.456 -0.201 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001130303682 828777829 /nfs/dbraw/zinc/77/78/29/828777829.db2.gz GUYFXYPNYDBAQE-ZBFHGGJFSA-N 2 0 343.468 -0.267 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]C[C@H](O)CO[C@@H](C)COC ZINC001130425005 828830558 /nfs/dbraw/zinc/83/05/58/828830558.db2.gz KAZGKVRBSFATEL-KBPBESRZSA-N 2 0 333.473 -0.165 20 0 EBADRP CNC(=O)C[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001179798750 833011476 /nfs/dbraw/zinc/01/14/76/833011476.db2.gz JRQMEJXSAPDVMG-JSGCOSHPSA-N 2 0 326.441 -0.578 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)N(C)C)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC001179799128 833011610 /nfs/dbraw/zinc/01/16/10/833011610.db2.gz LPHYQVYNXNXUHS-ZFWWWQNUSA-N 2 0 340.468 -0.236 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCN3CCNC3=O)C[C@H]21)C1CC1 ZINC001114410366 826236920 /nfs/dbraw/zinc/23/69/20/826236920.db2.gz URZVVUFDBOBEQS-CBBWQLFWSA-N 2 0 335.452 -0.602 20 0 EBADRP C[C@H]1[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)CCN1C(=O)COCC[NH+](C)C ZINC001179934145 833027516 /nfs/dbraw/zinc/02/75/16/833027516.db2.gz STWSQXYURRCDNR-SOUVJXGZSA-N 2 0 340.468 -0.236 20 0 EBADRP CCNC(=O)NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750813 826332643 /nfs/dbraw/zinc/33/26/43/826332643.db2.gz OGNRNKOSTDKUIK-JYAVWHMHSA-N 2 0 339.440 -0.780 20 0 EBADRP Cc1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)COCC[NH+](C)C)ncn1 ZINC001115125931 826428344 /nfs/dbraw/zinc/42/83/44/826428344.db2.gz DZBVSJIGLBIYIF-QLPKVWCKSA-N 2 0 333.436 -0.090 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115153837 826434163 /nfs/dbraw/zinc/43/41/63/826434163.db2.gz BWUGYLZVXCVTNZ-RSUWNVLCSA-N 2 0 336.436 -0.430 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001115156696 826434904 /nfs/dbraw/zinc/43/49/04/826434904.db2.gz SZJLJXSRQVYMBC-FOLVSLTJSA-N 2 0 337.468 -0.210 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](O)COCCOC)C[C@H]21 ZINC001115161955 826435711 /nfs/dbraw/zinc/43/57/11/826435711.db2.gz QGHJCBDYKHKVCF-LJIGWXMPSA-N 2 0 343.468 -0.602 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cccn3)C[C@H]21 ZINC001115244623 826470233 /nfs/dbraw/zinc/47/02/33/826470233.db2.gz BLXPXUDQMIXQCR-MWDXBVQZSA-N 2 0 347.463 -0.102 20 0 EBADRP C[NH+]1CCN(C2CC[NH+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CC2)CC1 ZINC001119030907 827050406 /nfs/dbraw/zinc/05/04/06/827050406.db2.gz DUBVAHWTIRPAOI-MRXNPFEDSA-N 3 0 337.512 -0.105 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)C[C@@H]21 ZINC001119065948 827054046 /nfs/dbraw/zinc/05/40/46/827054046.db2.gz FHCDKWPXHXPPDW-KXNHARMFSA-N 2 0 348.369 -0.256 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCN1c1cc[nH+]cc1 ZINC001119368059 827103634 /nfs/dbraw/zinc/10/36/34/827103634.db2.gz DDRUZPBHZMMVON-MGPQQGTHSA-N 2 0 331.420 -0.028 20 0 EBADRP C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC001119402579 827105543 /nfs/dbraw/zinc/10/55/43/827105543.db2.gz QVMYXDSDCYLJPX-KOLCDFICSA-N 2 0 336.358 -0.208 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCCCC1 ZINC001120046240 827169826 /nfs/dbraw/zinc/16/98/26/827169826.db2.gz SIIGXHNBFABGFA-UHFFFAOYSA-N 2 0 341.456 -0.068 20 0 EBADRP CCN1CCO[C@@H](C(=O)NCC2([NH2+]CC(=O)NC)CCCCC2)C1 ZINC001120170980 827178175 /nfs/dbraw/zinc/17/81/75/827178175.db2.gz ZCYFRUZYPMXOPP-CQSZACIVSA-N 2 0 340.468 -0.138 20 0 EBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)C[C@H]2C1 ZINC001120371898 827199970 /nfs/dbraw/zinc/19/99/70/827199970.db2.gz UFNSNBFHXGOBQT-TUVASFSCSA-N 2 0 338.452 -0.639 20 0 EBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4CCC[C@]4(C[NH3+])C3)C[C@]2(C)C1 ZINC001120379661 827203012 /nfs/dbraw/zinc/20/30/12/827203012.db2.gz XPGHLRKZIYPDPQ-DACLVMHWSA-N 2 0 334.464 -0.016 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CC(N)=O)C1 ZINC001120448522 827225635 /nfs/dbraw/zinc/22/56/35/827225635.db2.gz BITIEHICOQMOQH-LSDHHAIUSA-N 2 0 340.468 -0.247 20 0 EBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC001120520281 827238429 /nfs/dbraw/zinc/23/84/29/827238429.db2.gz KSFTXKSQJNJWSB-KBPBESRZSA-N 2 0 338.452 -0.447 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001120523692 827239647 /nfs/dbraw/zinc/23/96/47/827239647.db2.gz MBGNFZOXFFHJPC-ZIAGYGMSSA-N 2 0 328.457 -0.486 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001181652775 833171032 /nfs/dbraw/zinc/17/10/32/833171032.db2.gz PLSBSQDFRTYGEQ-CABCVRRESA-N 2 0 326.441 -0.576 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001181652126 833171117 /nfs/dbraw/zinc/17/11/17/833171117.db2.gz JPZMPHGQLDRXCR-NEPJUHHUSA-N 2 0 325.413 -0.883 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)C[C@H](C)O1 ZINC001121983063 827495003 /nfs/dbraw/zinc/49/50/03/827495003.db2.gz WMESKERLZYBTQN-HZSPNIEDSA-N 2 0 338.452 -0.578 20 0 EBADRP [NH3+]CCCSCCC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001122115618 827523614 /nfs/dbraw/zinc/52/36/14/827523614.db2.gz YPRUCNIALHKQJM-XQQFMLRXSA-N 2 0 342.465 -0.148 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001182684981 833252326 /nfs/dbraw/zinc/25/23/26/833252326.db2.gz XOILFRIIXSGAJF-JHJVBQTASA-N 2 0 332.470 -0.934 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N1CC[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001182982844 833272225 /nfs/dbraw/zinc/27/22/25/833272225.db2.gz VMDQBYIXKYVXNC-OLZOCXBDSA-N 2 0 337.461 -0.099 20 0 EBADRP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124866560 827969290 /nfs/dbraw/zinc/96/92/90/827969290.db2.gz FVAFYUHQDNMBFY-CHWSQXEVSA-N 2 0 341.456 -0.343 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC001124879403 827973796 /nfs/dbraw/zinc/97/37/96/827973796.db2.gz SWDSBCHAHKAIOL-WDEREUQCSA-N 2 0 336.358 -0.050 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCN(C)S(C)(=O)=O)C1)[NH+](C)C ZINC001183580999 833295596 /nfs/dbraw/zinc/29/55/96/833295596.db2.gz CLDUGMCUANAFAE-CHWSQXEVSA-N 2 0 334.486 -0.592 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127066762 828247013 /nfs/dbraw/zinc/24/70/13/828247013.db2.gz SCAIQHFZSOZMPT-CQSZACIVSA-N 2 0 348.513 -0.106 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127078145 828247966 /nfs/dbraw/zinc/24/79/66/828247966.db2.gz MVBOLUQNFOKNLV-GJZGRUSLSA-N 2 0 331.457 -0.411 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127081792 828248746 /nfs/dbraw/zinc/24/87/46/828248746.db2.gz BPEMGIAXKGEZQV-VXGBXAGGSA-N 2 0 327.429 -0.591 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127255706 828268520 /nfs/dbraw/zinc/26/85/20/828268520.db2.gz KYNYDDFNFIAJBS-CABCVRRESA-N 2 0 340.468 -0.281 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127256888 828269314 /nfs/dbraw/zinc/26/93/14/828269314.db2.gz TTWABIILLCTSDQ-HZPDHXFCSA-N 2 0 340.468 -0.281 20 0 EBADRP CC(C)(C(=O)NCC[NH2+]CC(=O)N1CCOCC1)[NH+]1CCCCC1 ZINC001127322873 828279489 /nfs/dbraw/zinc/27/94/89/828279489.db2.gz ZLAKKILSZFLRTD-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)NC[C@@H]1CCCO1 ZINC001127474502 828297111 /nfs/dbraw/zinc/29/71/11/828297111.db2.gz MTTAOMKPEPWTFD-LSDHHAIUSA-N 2 0 338.452 -0.671 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2)NCc1cccnc1 ZINC001127473694 828297445 /nfs/dbraw/zinc/29/74/45/828297445.db2.gz CNYMOZHMENRMTN-INIZCTEOSA-N 2 0 345.447 -0.255 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC001127479640 828297725 /nfs/dbraw/zinc/29/77/25/828297725.db2.gz DDOYXPYHSHDKPS-DZGCQCFKSA-N 2 0 338.452 -0.719 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127481051 828297828 /nfs/dbraw/zinc/29/78/28/828297828.db2.gz OASYUVWHXJKHAL-HNNXBMFYSA-N 2 0 326.441 -0.813 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127480512 828297965 /nfs/dbraw/zinc/29/79/65/828297965.db2.gz KNRXNOHCMRITPJ-CABCVRRESA-N 2 0 329.441 -0.942 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)NC(=O)NC1CC1 ZINC001127475787 828298000 /nfs/dbraw/zinc/29/80/00/828298000.db2.gz YYTYIXLDNJRUKH-CYBMUJFWSA-N 2 0 337.424 -0.978 20 0 EBADRP CN1CCC[C@H]([NH2+]CCNC(=O)c2ccn(CC[NH+](C)C)n2)C1=O ZINC001127558907 828302185 /nfs/dbraw/zinc/30/21/85/828302185.db2.gz VFAAKSLBOMUQGM-AWEZNQCLSA-N 2 0 336.440 -0.615 20 0 EBADRP CCCC[C@H]([NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1)C(N)=O ZINC001127562049 828302400 /nfs/dbraw/zinc/30/24/00/828302400.db2.gz AGFBIUCZMHINLI-ZDUSSCGKSA-N 2 0 338.456 -0.192 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127685474 828314670 /nfs/dbraw/zinc/31/46/70/828314670.db2.gz PFTHJBPFJIUGKB-IJLUTSLNSA-N 2 0 327.429 -0.733 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)CC[N@@H+]1C ZINC001127695785 828315487 /nfs/dbraw/zinc/31/54/87/828315487.db2.gz YEYJPDGPILEZOF-QLFBSQMISA-N 2 0 340.468 -0.282 20 0 EBADRP CCN(C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC1 ZINC001127760205 828320507 /nfs/dbraw/zinc/32/05/07/828320507.db2.gz GIMNJRPFMFPEQJ-LSDHHAIUSA-N 2 0 338.452 -0.434 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCCCC1 ZINC001127778487 828324743 /nfs/dbraw/zinc/32/47/43/828324743.db2.gz GAUFUIBFELDOIP-GJZGRUSLSA-N 2 0 338.452 -0.432 20 0 EBADRP CCC(C)(C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779244 828328137 /nfs/dbraw/zinc/32/81/37/828328137.db2.gz JXTVFYBMPDKGPE-KGLIPLIRSA-N 2 0 340.468 -0.140 20 0 EBADRP Cc1nnsc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127785197 828330062 /nfs/dbraw/zinc/33/00/62/828330062.db2.gz GLEYTAKMNUVPIQ-VXGBXAGGSA-N 2 0 325.438 -0.084 20 0 EBADRP CC(C)CNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127786229 828331589 /nfs/dbraw/zinc/33/15/89/828331589.db2.gz WTEKPPRTXIEMIU-UONOGXRCSA-N 2 0 326.441 -0.672 20 0 EBADRP Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2[NH2+]CCCO)c1 ZINC001130532174 828875821 /nfs/dbraw/zinc/87/58/21/828875821.db2.gz YJWPAXYYLMGDCX-IMJJTQAJSA-N 2 0 335.452 -0.219 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001130709177 828920065 /nfs/dbraw/zinc/92/00/65/828920065.db2.gz WJGDORAWSNMMTM-CHWSQXEVSA-N 2 0 341.456 -0.343 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130726455 828922760 /nfs/dbraw/zinc/92/27/60/828922760.db2.gz YSYPBWUWCBSCFZ-VNHYZAJKSA-N 2 0 348.451 -0.998 20 0 EBADRP O=C(C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2)NC[C@H]1CCCO1 ZINC001130805639 828943125 /nfs/dbraw/zinc/94/31/25/828943125.db2.gz FSRQSWBIVYLRJO-CQSZACIVSA-N 2 0 338.452 -0.384 20 0 EBADRP O=C(C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2)NCC(F)(F)F ZINC001130805976 828944276 /nfs/dbraw/zinc/94/42/76/828944276.db2.gz WQLNZTBEHQEBKO-UHFFFAOYSA-N 2 0 336.358 -0.001 20 0 EBADRP O=C(NCC[NH2+]CCN1C(=O)CNC1=O)c1ccn2c[nH+]cc2c1 ZINC001130874815 828985304 /nfs/dbraw/zinc/98/53/04/828985304.db2.gz PFZXEBXPTLUIDD-UHFFFAOYSA-N 2 0 330.348 -0.795 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001184876797 833342397 /nfs/dbraw/zinc/34/23/97/833342397.db2.gz MYPHXFFPJRUMKH-QJPTWQEYSA-N 2 0 325.413 -0.885 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185213210 833350120 /nfs/dbraw/zinc/35/01/20/833350120.db2.gz JDBDXDNBGNQOSX-NWDGAFQWSA-N 2 0 339.440 -0.637 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1cncn1C)C(N)=O ZINC001131061846 829036123 /nfs/dbraw/zinc/03/61/23/829036123.db2.gz OIXQNBVDOKZJPW-JHJVBQTASA-N 2 0 336.440 -0.870 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)CC1 ZINC001185230137 833350511 /nfs/dbraw/zinc/35/05/11/833350511.db2.gz MSINLKIEIFPKLK-GFCCVEGCSA-N 2 0 337.424 -0.930 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001185249382 833351354 /nfs/dbraw/zinc/35/13/54/833351354.db2.gz VUGPLEVXCVMKDF-CYBMUJFWSA-N 2 0 339.440 -0.493 20 0 EBADRP Cn1cncc1[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCCO ZINC001131108089 829045192 /nfs/dbraw/zinc/04/51/92/829045192.db2.gz JDMRJTRJNRIILN-HUUCEWRRSA-N 2 0 347.463 -0.218 20 0 EBADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001185268398 833353406 /nfs/dbraw/zinc/35/34/06/833353406.db2.gz CRBNISRSNWKLKT-ZDUSSCGKSA-N 2 0 326.441 -0.495 20 0 EBADRP Cn1nncc1C[NH2+]CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001131196778 829069915 /nfs/dbraw/zinc/06/99/15/829069915.db2.gz XEPYRWKBSRNXOV-UHFFFAOYSA-N 2 0 326.364 -0.085 20 0 EBADRP COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185384315 833357220 /nfs/dbraw/zinc/35/72/20/833357220.db2.gz APUBXXMOUPSTQD-HZPDHXFCSA-N 2 0 343.468 -0.457 20 0 EBADRP C[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]C[C@H](O)Cn3cccn3)C2)CC1 ZINC001185385889 833357284 /nfs/dbraw/zinc/35/72/84/833357284.db2.gz WKXWQLAUCXQLNJ-CVEARBPZSA-N 2 0 335.452 -0.224 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001185386031 833357670 /nfs/dbraw/zinc/35/76/70/833357670.db2.gz YWAQDPWKXLPRPX-CQSZACIVSA-N 2 0 326.441 -0.576 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185400731 833357964 /nfs/dbraw/zinc/35/79/64/833357964.db2.gz GIPBMXLVWBAGNU-OAHLLOKOSA-N 2 0 340.468 -0.329 20 0 EBADRP Cn1ccc(N2CC[C@@H]([NH2+][C@@H]3CCN(C(=O)CC[NH+](C)C)C3)C2=O)n1 ZINC001185401516 833358059 /nfs/dbraw/zinc/35/80/59/833358059.db2.gz RJGXFMZRNINTOM-ZIAGYGMSSA-N 2 0 348.451 -0.332 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001185416412 833358291 /nfs/dbraw/zinc/35/82/91/833358291.db2.gz VCSMTHPYYGLVJM-UONOGXRCSA-N 2 0 331.482 -0.047 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001185492376 833360127 /nfs/dbraw/zinc/36/01/27/833360127.db2.gz OBJLDHADRYFCTB-ZIAGYGMSSA-N 2 0 328.457 -0.615 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001185676434 833366374 /nfs/dbraw/zinc/36/63/74/833366374.db2.gz XBYANRXECXVWNO-LLVKDONJSA-N 2 0 325.413 -0.896 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NC[C@@H]2CCCO2)C1)[NH+](C)C ZINC001185716585 833367815 /nfs/dbraw/zinc/36/78/15/833367815.db2.gz ZTFLWZBFVNEHJO-ILXRZTDVSA-N 2 0 340.468 -0.188 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001185706667 833368075 /nfs/dbraw/zinc/36/80/75/833368075.db2.gz QRBJLJGVHUAHNQ-XQQFMLRXSA-N 2 0 341.456 -0.249 20 0 EBADRP COc1nccc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)n1 ZINC001131519944 829152699 /nfs/dbraw/zinc/15/26/99/829152699.db2.gz OUBPLEHPMXERBE-KDJCLPLCSA-N 2 0 347.419 -0.446 20 0 EBADRP Cc1nnsc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520025 829152767 /nfs/dbraw/zinc/15/27/67/829152767.db2.gz RIEFGSZUKAMJHE-AVERBVTBSA-N 2 0 337.449 -0.084 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCCC1 ZINC001131520268 829153068 /nfs/dbraw/zinc/15/30/68/829153068.db2.gz WJWREFAVFYCHPC-XOYHFGRZSA-N 2 0 336.436 -0.822 20 0 EBADRP COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001185743504 833369200 /nfs/dbraw/zinc/36/92/00/833369200.db2.gz USRCPXCYNXSRAG-XHSDSOJGSA-N 2 0 343.468 -0.315 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001185750698 833369576 /nfs/dbraw/zinc/36/95/76/833369576.db2.gz MBWYSKHWRGIEIK-OLZOCXBDSA-N 2 0 341.456 -0.404 20 0 EBADRP COCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)COCC[NH+](C)C)C[C@@H](C)O2 ZINC001131692497 829187646 /nfs/dbraw/zinc/18/76/46/829187646.db2.gz HSNKBBZLFFVUQC-NVXWUHKLSA-N 2 0 343.468 -0.097 20 0 EBADRP C[NH+]1CCC(CC(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CC1 ZINC001186090944 833388257 /nfs/dbraw/zinc/38/82/57/833388257.db2.gz SFUJGGNUZGOYMZ-CQSZACIVSA-N 2 0 346.497 -0.542 20 0 EBADRP CN(C)C(=O)C[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001186616076 833408957 /nfs/dbraw/zinc/40/89/57/833408957.db2.gz NFAXQPLSEYRSRA-CYBMUJFWSA-N 2 0 326.441 -0.624 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001132737842 829512300 /nfs/dbraw/zinc/51/23/00/829512300.db2.gz RNPLKAOYPMIHTE-CQSZACIVSA-N 2 0 348.513 -0.294 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)N(C)CC2CC2)C1 ZINC001132848259 829533100 /nfs/dbraw/zinc/53/31/00/829533100.db2.gz CIBQMLVBYJFISH-OAHLLOKOSA-N 2 0 340.468 -0.330 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001132848214 829533220 /nfs/dbraw/zinc/53/32/20/829533220.db2.gz BGNXKUIHRQHSMU-CABCVRRESA-N 2 0 340.468 -0.282 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCOC[C@@H]2CCCO2)C1 ZINC001132848466 829535638 /nfs/dbraw/zinc/53/56/38/829535638.db2.gz IOOWMUVGOMEBCB-JKSUJKDBSA-N 2 0 343.468 -0.003 20 0 EBADRP CCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132849040 829535653 /nfs/dbraw/zinc/53/56/53/829535653.db2.gz ZPAZHCBVWBBSIA-AWEZNQCLSA-N 2 0 349.497 -0.374 20 0 EBADRP CC(C)N1CC[C@@H]([NH2+]CCNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1=O ZINC001132852110 829537028 /nfs/dbraw/zinc/53/70/28/829537028.db2.gz HYKCYFOZWLAIOB-HUUCEWRRSA-N 2 0 340.468 -0.189 20 0 EBADRP CC(C)COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132853329 829537879 /nfs/dbraw/zinc/53/78/79/829537879.db2.gz ZLRJNGVRTBZPSH-HOTGVXAUSA-N 2 0 345.484 -0.165 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001132858771 829539761 /nfs/dbraw/zinc/53/97/61/829539761.db2.gz ITRUVUQPIUOELQ-ZDUSSCGKSA-N 2 0 328.457 -0.284 20 0 EBADRP C[NH+](C)CCCC(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001133051406 829577286 /nfs/dbraw/zinc/57/72/86/829577286.db2.gz FUGQIOIRECAXKC-CABCVRRESA-N 2 0 331.457 -0.410 20 0 EBADRP C[NH+](C)CCCC(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001133051213 829577435 /nfs/dbraw/zinc/57/74/35/829577435.db2.gz AYLSJYHHYKZAAZ-CQSZACIVSA-N 2 0 331.457 -0.410 20 0 EBADRP C[NH+](C)CCCC(=O)NCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001133042580 829577527 /nfs/dbraw/zinc/57/75/27/829577527.db2.gz JNXYSQKXFYFMCU-CYBMUJFWSA-N 2 0 334.486 -0.685 20 0 EBADRP C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133072398 829579619 /nfs/dbraw/zinc/57/96/19/829579619.db2.gz IEBAPVWZMZJLEW-STQMWFEESA-N 2 0 341.456 -0.403 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C ZINC001133090276 829582327 /nfs/dbraw/zinc/58/23/27/829582327.db2.gz FPCYRZSVJCJKJI-OLZOCXBDSA-N 2 0 341.456 -0.532 20 0 EBADRP C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001133092095 829582740 /nfs/dbraw/zinc/58/27/40/829582740.db2.gz YQHAQPPPFGMJNE-CHWSQXEVSA-N 2 0 338.456 -0.366 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001133224416 829608434 /nfs/dbraw/zinc/60/84/34/829608434.db2.gz BFZOBCXLLDOSHJ-QWHCGFSZSA-N 2 0 341.456 -0.403 20 0 EBADRP C[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)NCc2cccnc2)CC1 ZINC001133286085 829615999 /nfs/dbraw/zinc/61/59/99/829615999.db2.gz WLHLMSNFXXXWJS-UHFFFAOYSA-N 2 0 333.436 -0.255 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C1CC[NH+](C)CC1)C(=O)Nc1ncccn1 ZINC001133288502 829616067 /nfs/dbraw/zinc/61/60/67/829616067.db2.gz YJHWJTOONGFYGG-GFCCVEGCSA-N 2 0 334.424 -0.149 20 0 EBADRP C[NH+]1CCC(C(=O)NCC[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001133287882 829616079 /nfs/dbraw/zinc/61/60/79/829616079.db2.gz OIHHRMXEZKXHLO-CYBMUJFWSA-N 2 0 346.497 -0.685 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH2+]CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC001133294539 829618151 /nfs/dbraw/zinc/61/81/51/829618151.db2.gz MMGLBKQJHGDVIH-HNNXBMFYSA-N 2 0 348.447 -0.236 20 0 EBADRP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133310186 829619785 /nfs/dbraw/zinc/61/97/85/829619785.db2.gz LNLJVRHTZXZTON-CHWSQXEVSA-N 2 0 339.440 -0.649 20 0 EBADRP CC(C)[C@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001133415572 829630453 /nfs/dbraw/zinc/63/04/53/829630453.db2.gz DUOAWNZAUORTQF-CYBMUJFWSA-N 2 0 327.429 -0.733 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+]CCN1CCCS1(=O)=O)[NH+](CC)CC ZINC001133683990 829660789 /nfs/dbraw/zinc/66/07/89/829660789.db2.gz BGIJFWUSQLIJJJ-CQSZACIVSA-N 2 0 348.513 -0.152 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001133823880 829679119 /nfs/dbraw/zinc/67/91/19/829679119.db2.gz ROCXTBNKFCTBLX-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]CCNC(=O)C[N@H+]2CCC[C@@H]2C)s1 ZINC001133819395 829680253 /nfs/dbraw/zinc/68/02/53/829680253.db2.gz AWGQZTVZDOVMOA-JTQLQIEISA-N 2 0 340.453 -0.025 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCNC(=O)C[N@H+]2CCC[C@@H]2C)n(C)n1 ZINC001133834182 829681264 /nfs/dbraw/zinc/68/12/64/829681264.db2.gz PZHKDMXOWRXHRX-ZDUSSCGKSA-N 2 0 336.440 -0.143 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CC[C@H]2CCS(=O)(=O)C2)C1 ZINC001133845417 829685253 /nfs/dbraw/zinc/68/52/53/829685253.db2.gz FJWGYTVGKNGENZ-KGLIPLIRSA-N 2 0 331.482 -0.141 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC001133845665 829685266 /nfs/dbraw/zinc/68/52/66/829685266.db2.gz LFUNTQQKFMVMTI-ZDUSSCGKSA-N 2 0 331.482 -0.141 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C)C1 ZINC001133845698 829685414 /nfs/dbraw/zinc/68/54/14/829685414.db2.gz LVJTXZXQFQYSGE-CYBMUJFWSA-N 2 0 334.486 -0.685 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCNC(=O)C[N@H+]2CC[C@@H](C)C2)n(C)n1 ZINC001133849746 829686319 /nfs/dbraw/zinc/68/63/19/829686319.db2.gz CYBMYZZQWSIMCM-GFCCVEGCSA-N 2 0 336.440 -0.285 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001133869323 829690489 /nfs/dbraw/zinc/69/04/89/829690489.db2.gz DGSGPARLOWPVEQ-STQMWFEESA-N 2 0 331.482 -0.285 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC1CCS(=O)(=O)CC1 ZINC001133869740 829691543 /nfs/dbraw/zinc/69/15/43/829691543.db2.gz KGWWZCPBGHKQCW-OCCSQVGLSA-N 2 0 331.482 -0.285 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133897073 829695582 /nfs/dbraw/zinc/69/55/82/829695582.db2.gz XWNGKFKEDJOZRF-AWEZNQCLSA-N 2 0 331.457 -0.552 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)C1([NH+](C)C)CCC1)[NH2+]CC(=O)NC(N)=O ZINC001134583677 829796599 /nfs/dbraw/zinc/79/65/99/829796599.db2.gz NDMQXTXJRHTOCC-MNOVXSKESA-N 2 0 327.429 -0.462 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001134758972 829840003 /nfs/dbraw/zinc/84/00/03/829840003.db2.gz DEKBIFGCLMCPCA-CHWSQXEVSA-N 2 0 341.456 -0.199 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001134757590 829840526 /nfs/dbraw/zinc/84/05/26/829840526.db2.gz QEAUIBRUGSVABF-ZDUSSCGKSA-N 2 0 341.456 -0.198 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134783569 829845314 /nfs/dbraw/zinc/84/53/14/829845314.db2.gz ZAYIWHMNYAZIOK-CQSZACIVSA-N 2 0 342.484 -0.035 20 0 EBADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC)C(C)C ZINC001135474576 829973587 /nfs/dbraw/zinc/97/35/87/829973587.db2.gz UNVHFPYPBBGULX-QWHCGFSZSA-N 2 0 343.472 -0.097 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001135477832 829974123 /nfs/dbraw/zinc/97/41/23/829974123.db2.gz QKZHLLRXYAQTLE-CQSZACIVSA-N 2 0 343.472 -0.096 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001135743282 830018204 /nfs/dbraw/zinc/01/82/04/830018204.db2.gz HVMWSYPNNWFMHY-VXGBXAGGSA-N 2 0 326.445 -0.177 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CCNC(=O)C1CC1)NC(=O)COCC[NH+](C)C ZINC001135923668 830048054 /nfs/dbraw/zinc/04/80/54/830048054.db2.gz MOFBJIAPJNTGNI-ZIAGYGMSSA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CCN1CCNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001135938862 830048648 /nfs/dbraw/zinc/04/86/48/830048648.db2.gz PTMHOINPJWDWLO-KBPBESRZSA-N 2 0 337.468 -0.020 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001135995802 830058091 /nfs/dbraw/zinc/05/80/91/830058091.db2.gz LCFBKATYZVUBSG-NEPJUHHUSA-N 2 0 329.445 -0.214 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211286434 837421250 /nfs/dbraw/zinc/42/12/50/837421250.db2.gz UIJFWTZTBQXWNS-CQSZACIVSA-N 2 0 348.513 -0.154 20 0 EBADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)CN(C)C(N)=[NH2+])CC1 ZINC001144132167 830159845 /nfs/dbraw/zinc/15/98/45/830159845.db2.gz HGINYDMDHXOXAI-UHFFFAOYSA-N 2 0 338.456 -0.643 20 0 EBADRP COC(=O)[C@]1(NC(=O)CN(C)C(N)=[NH2+])CC[N@H+](Cc2ccccc2)C1 ZINC001144143448 830160671 /nfs/dbraw/zinc/16/06/71/830160671.db2.gz PQVYGFVPLBHCAL-KRWDZBQOSA-N 2 0 347.419 -0.254 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146383130 830195499 /nfs/dbraw/zinc/19/54/99/830195499.db2.gz DPCGTYCBRAXOLF-UHFFFAOYSA-N 2 0 341.456 -0.342 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)NCC[NH2+]CCNS(C)(=O)=O)CC1 ZINC001146392453 830195644 /nfs/dbraw/zinc/19/56/44/830195644.db2.gz VGGYEQIDHVIUEG-UHFFFAOYSA-N 2 0 334.486 -0.638 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]CCCS(=O)(=O)CCOC ZINC001146710740 830223267 /nfs/dbraw/zinc/22/32/67/830223267.db2.gz MNFBJXHBLCFVLY-UHFFFAOYSA-N 2 0 337.486 -0.515 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001147301135 830316510 /nfs/dbraw/zinc/31/65/10/830316510.db2.gz PJLBUMUCGMFHDK-UHFFFAOYSA-N 2 0 346.497 -0.637 20 0 EBADRP C[N@H+](CC(=O)N1CC2(C1)CCN(CC(=O)NC(N)=O)C2)C1CCC1 ZINC001147724618 830401186 /nfs/dbraw/zinc/40/11/86/830401186.db2.gz KXIJZIDOKHLURP-UHFFFAOYSA-N 2 0 337.424 -0.800 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001147833685 830418174 /nfs/dbraw/zinc/41/81/74/830418174.db2.gz AEUMGYPBJVRRJA-JKSUJKDBSA-N 2 0 342.484 -0.035 20 0 EBADRP Cn1nnc2cc(C[NH2+]CCNC(=O)COCC[NH+](C)C)ccc21 ZINC001147842076 830419016 /nfs/dbraw/zinc/41/90/16/830419016.db2.gz LSHQABSDVRSJMT-UHFFFAOYSA-N 2 0 334.424 -0.248 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001147848534 830421272 /nfs/dbraw/zinc/42/12/72/830421272.db2.gz OYGGTCKAXWRMDB-ZDUSSCGKSA-N 2 0 335.470 -0.905 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)Nc1ncccn1 ZINC001147885863 830426003 /nfs/dbraw/zinc/42/60/03/830426003.db2.gz PXAFJGKMGIOCCO-OLZOCXBDSA-N 2 0 334.424 -0.149 20 0 EBADRP Cc1cc(NC(=O)[C@@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C)on1 ZINC001147892994 830427064 /nfs/dbraw/zinc/42/70/64/830427064.db2.gz NDHZDSTXDRRMTG-GFCCVEGCSA-N 2 0 341.412 -0.406 20 0 EBADRP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C)C1 ZINC001147893988 830427311 /nfs/dbraw/zinc/42/73/11/830427311.db2.gz WZBWHGPWQDEDPM-HUUCEWRRSA-N 2 0 342.484 -0.225 20 0 EBADRP CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900199 830428429 /nfs/dbraw/zinc/42/84/29/830428429.db2.gz JNASFKIDUSTFND-LSDHHAIUSA-N 2 0 342.484 -0.035 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001148161637 830450772 /nfs/dbraw/zinc/45/07/72/830450772.db2.gz YVUJAIKJRHTRBY-AWEZNQCLSA-N 2 0 325.453 -0.130 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CC3(C2)CC[NH+](CCOCCO)C3)C1 ZINC001148284894 830465337 /nfs/dbraw/zinc/46/53/37/830465337.db2.gz IWJLUTFMLHRUHL-HNNXBMFYSA-N 2 0 325.453 -0.129 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148352133 830474040 /nfs/dbraw/zinc/47/40/40/830474040.db2.gz BKFXXLUWZYAFMB-GFCCVEGCSA-N 2 0 329.445 -0.342 20 0 EBADRP C[NH+](C)CCCCC(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001148365066 830475443 /nfs/dbraw/zinc/47/54/43/830475443.db2.gz FWGFDASSAQRKRA-AWEZNQCLSA-N 2 0 328.457 -0.423 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)CCCC[NH+](C)C)CCO1 ZINC001148365398 830475604 /nfs/dbraw/zinc/47/56/04/830475604.db2.gz OIVGFYCFNILVSX-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP C[NH+](C)CCCCC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001148359960 830475771 /nfs/dbraw/zinc/47/57/71/830475771.db2.gz HUUVUQUWUXCSRP-UHFFFAOYSA-N 2 0 327.429 -0.588 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+]([C@@H](C)C(=O)NC(N)=O)C2 ZINC001148551531 830503690 /nfs/dbraw/zinc/50/36/90/830503690.db2.gz NCQYODDKLAGYHH-LBPRGKRZSA-N 2 0 339.440 -0.554 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001148570371 830509274 /nfs/dbraw/zinc/50/92/74/830509274.db2.gz BSSWMLSLYJONIW-CQSZACIVSA-N 2 0 328.457 -0.281 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+]([C@H](C)C(=O)NC(N)=O)C2 ZINC001148651641 830522664 /nfs/dbraw/zinc/52/26/64/830522664.db2.gz LSNORNQCMLGCLI-GFCCVEGCSA-N 2 0 339.440 -0.554 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001148655072 830525390 /nfs/dbraw/zinc/52/53/90/830525390.db2.gz HKFSLDKMNQNQTP-CQSZACIVSA-N 2 0 331.457 -0.410 20 0 EBADRP COCCOCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001149400280 830657308 /nfs/dbraw/zinc/65/73/08/830657308.db2.gz VOVVGHSUBRJUMW-CVEARBPZSA-N 2 0 343.468 -0.049 20 0 EBADRP C[N@H+](CC(=O)NC[C@H]1C[NH+](CCOCCO)CCCO1)C1CCC1 ZINC001149855034 830765364 /nfs/dbraw/zinc/76/53/64/830765364.db2.gz UKQFQQPFTCYHBZ-INIZCTEOSA-N 2 0 343.468 -0.313 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001150099605 830818813 /nfs/dbraw/zinc/81/88/13/830818813.db2.gz HPDCFZNXVMGOQV-XHSDSOJGSA-N 2 0 343.468 -0.315 20 0 EBADRP CC[C@@H](C(=O)NC[C@H]1C[N@H+](CCOCCO)CCCO1)[NH+](C)C ZINC001150350194 830870707 /nfs/dbraw/zinc/87/07/07/830870707.db2.gz AWTHNWNZWDLMAG-GJZGRUSLSA-N 2 0 331.457 -0.457 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@@H](O)COC)CCCO1 ZINC001150546568 830928708 /nfs/dbraw/zinc/92/87/08/830928708.db2.gz GMDSGSGELZZDOC-HUUCEWRRSA-N 2 0 331.457 -0.457 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H]1C[NH+](C[C@H](O)COC)CCCO1 ZINC001150546567 830928783 /nfs/dbraw/zinc/92/87/83/830928783.db2.gz GMDSGSGELZZDOC-GJZGRUSLSA-N 2 0 331.457 -0.457 20 0 EBADRP O=C(NC[C@H]1C[N@H+](CCOCCO)CCCO1)C12CC[NH+](CC1)C2 ZINC001150588330 830938684 /nfs/dbraw/zinc/93/86/84/830938684.db2.gz OAOPRVQUGNCBOO-HNNXBMFYSA-N 2 0 341.452 -0.702 20 0 EBADRP COC[C@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150587750 830939166 /nfs/dbraw/zinc/93/91/66/830939166.db2.gz JPBHQFARCLTWET-GJZGRUSLSA-N 2 0 331.457 -0.193 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[NH+](CCn2cncn2)CCCO1 ZINC001150626771 830946859 /nfs/dbraw/zinc/94/68/59/830946859.db2.gz YQNSILRCWWZQAK-HNNXBMFYSA-N 2 0 338.456 -0.173 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CCn2cncn2)CCCO1 ZINC001150626772 830947206 /nfs/dbraw/zinc/94/72/06/830947206.db2.gz YQNSILRCWWZQAK-OAHLLOKOSA-N 2 0 338.456 -0.173 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F)C1 ZINC001151066764 831019215 /nfs/dbraw/zinc/01/92/15/831019215.db2.gz YLQJAPOPUYKBFA-WDEREUQCSA-N 2 0 327.347 -0.416 20 0 EBADRP Cc1cc(N2CC[C@@H]([NH2+]CCNC(=O)[C@H]3CC[N@H+](C)C3)C2=O)n(C)n1 ZINC001151065656 831020418 /nfs/dbraw/zinc/02/04/18/831020418.db2.gz MDGWIXIRORJGKJ-UONOGXRCSA-N 2 0 348.451 -0.509 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151066773 831021286 /nfs/dbraw/zinc/02/12/86/831021286.db2.gz YOKBPHQSYBZFKG-LBPRGKRZSA-N 2 0 327.429 -0.874 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)C[NH+]2CCCC2)C[C@H](C)O1 ZINC001151101115 831025710 /nfs/dbraw/zinc/02/57/10/831025710.db2.gz MMQHMARMUCWCID-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1)C(=O)NC(C)(C)C ZINC001151156426 831032719 /nfs/dbraw/zinc/03/27/19/831032719.db2.gz CHYXLSBWKGCPFY-UONOGXRCSA-N 2 0 342.484 -0.036 20 0 EBADRP CCN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151156380 831033195 /nfs/dbraw/zinc/03/31/95/831033195.db2.gz BEIPTSWXIBHTKS-GJZGRUSLSA-N 2 0 342.484 -0.083 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]Cc1cccc(C(N)=O)c1 ZINC001151157018 831035111 /nfs/dbraw/zinc/03/51/11/831035111.db2.gz IVMZHBANBCEVQK-AWEZNQCLSA-N 2 0 348.447 -0.040 20 0 EBADRP CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151159963 831036196 /nfs/dbraw/zinc/03/61/96/831036196.db2.gz VRZVISGZVCTJME-UONOGXRCSA-N 2 0 328.457 -0.425 20 0 EBADRP CCN(C(=O)C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC001151159345 831036314 /nfs/dbraw/zinc/03/63/14/831036314.db2.gz SGWOZIHPHLFITD-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCC[NH+]1CCCCC1 ZINC001151361646 831061682 /nfs/dbraw/zinc/06/16/82/831061682.db2.gz LMHBGVZUROXASM-CYBMUJFWSA-N 2 0 341.456 -0.198 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152145621 831133557 /nfs/dbraw/zinc/13/35/57/831133557.db2.gz CRSOGUWUGHVHLJ-STQMWFEESA-N 2 0 341.456 -0.199 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152148464 831134164 /nfs/dbraw/zinc/13/41/64/831134164.db2.gz QDMDJXZQUNOAMZ-KBPBESRZSA-N 2 0 348.513 -0.106 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152349316 831154386 /nfs/dbraw/zinc/15/43/86/831154386.db2.gz ZPQZYXMGQITWAI-UHFFFAOYSA-N 2 0 334.486 -0.493 20 0 EBADRP O=C(CC[NH+]1CCCCC1)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001152340160 831154426 /nfs/dbraw/zinc/15/44/26/831154426.db2.gz HUPQLBIYEHOACA-UHFFFAOYSA-N 2 0 326.441 -0.573 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccccc1C[NH+](C)C ZINC001152393199 831156905 /nfs/dbraw/zinc/15/69/05/831156905.db2.gz GVXYVLJQEUYICY-UHFFFAOYSA-N 2 0 349.435 -0.087 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC001152445586 831163242 /nfs/dbraw/zinc/16/32/42/831163242.db2.gz KBFFHWOIGPXGNT-LLVKDONJSA-N 2 0 327.429 -0.591 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001152451704 831164264 /nfs/dbraw/zinc/16/42/64/831164264.db2.gz DXMZETWYXHZGPY-ZDUSSCGKSA-N 2 0 339.440 -0.445 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001152445897 831164491 /nfs/dbraw/zinc/16/44/91/831164491.db2.gz QRQZVMPOQMVFEI-CABCVRRESA-N 2 0 331.457 -0.411 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001152459028 831165082 /nfs/dbraw/zinc/16/50/82/831165082.db2.gz WZZRYAKQEGRSAF-GJZGRUSLSA-N 2 0 340.468 -0.281 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COCCOC ZINC001152458597 831165337 /nfs/dbraw/zinc/16/53/37/831165337.db2.gz RLXAZUNYNZUTLA-CABCVRRESA-N 2 0 331.457 -0.410 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001152458177 831165428 /nfs/dbraw/zinc/16/54/28/831165428.db2.gz MIYYIZXKLSNNEN-GJZGRUSLSA-N 2 0 340.468 -0.450 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001152458591 831165752 /nfs/dbraw/zinc/16/57/52/831165752.db2.gz RGAOGPOYCCDNPT-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)[NH+]1CCCC1 ZINC001152473985 831166330 /nfs/dbraw/zinc/16/63/30/831166330.db2.gz YARFFTUGCAKRJL-NWDGAFQWSA-N 2 0 327.429 -0.604 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001152479533 831166656 /nfs/dbraw/zinc/16/66/56/831166656.db2.gz HCJLBOGNKMJZQS-AWEZNQCLSA-N 2 0 341.456 -0.342 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001155789918 831430300 /nfs/dbraw/zinc/43/03/00/831430300.db2.gz HRHMPOONJSBFHF-ZIAGYGMSSA-N 2 0 326.441 -0.528 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155811741 831431872 /nfs/dbraw/zinc/43/18/72/831431872.db2.gz JKVPPRHKTBSUJM-CYBMUJFWSA-N 2 0 334.486 -0.542 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155810970 831432003 /nfs/dbraw/zinc/43/20/03/831432003.db2.gz DLFGURPSBQWTQT-CYBMUJFWSA-N 2 0 341.456 -0.342 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155822489 831434020 /nfs/dbraw/zinc/43/40/20/831434020.db2.gz RZTVVJZYHRDBRO-CHWSQXEVSA-N 2 0 341.456 -0.201 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[N@@H+](C(C)(C)C)CCN1 ZINC001157335754 831554577 /nfs/dbraw/zinc/55/45/77/831554577.db2.gz JMEOIEKCAXZOLP-QWHCGFSZSA-N 2 0 327.473 -0.582 20 0 EBADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157368448 831560645 /nfs/dbraw/zinc/56/06/45/831560645.db2.gz HEIJJQBRZQCXEX-STQMWFEESA-N 2 0 342.440 -0.497 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)CN1CC[NH2+]CC1)C(=O)N1CCCC1 ZINC001157371495 831562182 /nfs/dbraw/zinc/56/21/82/831562182.db2.gz WVJADVCJFXXRFD-AWEZNQCLSA-N 2 0 325.457 -0.872 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)C1(O)CC[NH2+]CC1)C(=O)N1CCCC1 ZINC001157370818 831562354 /nfs/dbraw/zinc/56/23/54/831562354.db2.gz IBTXUPPCRDWAFH-ZDUSSCGKSA-N 2 0 326.441 -0.663 20 0 EBADRP C[S@@](=O)CC[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157378849 831563113 /nfs/dbraw/zinc/56/31/13/831563113.db2.gz DUGFIKWNWVIQGO-VQNPYFGKSA-N 2 0 346.497 -0.682 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)C[C@H]1COCC[NH2+]1)C(=O)N1CCCC1 ZINC001157379921 831563130 /nfs/dbraw/zinc/56/31/30/831563130.db2.gz RGWBQGASYBFSHJ-KBPBESRZSA-N 2 0 326.441 -0.399 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)NCCNC(=O)C(F)(F)Br ZINC001157436151 831566459 /nfs/dbraw/zinc/56/64/59/831566459.db2.gz ZRMLYYXUQNMTKJ-LURJTMIESA-N 2 0 331.161 -0.727 20 0 EBADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)CC1 ZINC001157448894 831567442 /nfs/dbraw/zinc/56/74/42/831567442.db2.gz NZIDTQBSFPGGBE-LLVKDONJSA-N 2 0 343.428 -0.965 20 0 EBADRP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157545360 831578451 /nfs/dbraw/zinc/57/84/51/831578451.db2.gz QZKFOXMCGGEPRQ-IPYPFGDCSA-N 2 0 347.394 -0.339 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157754170 831590595 /nfs/dbraw/zinc/59/05/95/831590595.db2.gz HVALZVARHPDGHY-LRDDRELGSA-N 2 0 346.447 -0.076 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001157893260 831602811 /nfs/dbraw/zinc/60/28/11/831602811.db2.gz CZALSSGJHGTIBH-CYBMUJFWSA-N 2 0 334.486 -0.496 20 0 EBADRP C[C@]1(O)CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001157997108 831616916 /nfs/dbraw/zinc/61/69/16/831616916.db2.gz IFGWKLMJCKJZQQ-XEZPLFJOSA-N 2 0 326.441 -0.583 20 0 EBADRP O=C(NCCC[NH2+]CCN1CCNC1=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001158038111 831622133 /nfs/dbraw/zinc/62/21/33/831622133.db2.gz NBAPGZDBHVXXRL-LSDHHAIUSA-N 2 0 337.468 -0.018 20 0 EBADRP O=C(C[C@@H]1C[NH2+]Cc2cccn2C1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091930 831627001 /nfs/dbraw/zinc/62/70/01/831627001.db2.gz KMAJVPUMIQZAPS-CXAGYDPISA-N 2 0 331.420 -0.712 20 0 EBADRP O=C(c1csc([C@@H]2CCC[NH2+]2)n1)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158102521 831628265 /nfs/dbraw/zinc/62/82/65/831628265.db2.gz SYPZXRLZRIFCEH-ZUZCIYMTSA-N 2 0 335.433 -0.128 20 0 EBADRP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158118633 831629886 /nfs/dbraw/zinc/62/98/86/831629886.db2.gz CBLZTSYTPICUOO-HZMBPMFUSA-N 2 0 328.363 -0.831 20 0 EBADRP O=C([C@@H]1[NH2+]Cc2ccccc21)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158119908 831629895 /nfs/dbraw/zinc/62/98/95/831629895.db2.gz JAGBOJOEYHVLKQ-RDTXWAMCSA-N 2 0 326.400 -0.231 20 0 EBADRP O=C(c1nc2c(s1)C[NH2+]CC2)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158121171 831630739 /nfs/dbraw/zinc/63/07/39/831630739.db2.gz WWIBTWXIUSSORO-INIZCTEOSA-N 2 0 347.444 -0.660 20 0 EBADRP O=C(C1CCC2(C[NH2+]C2)CC1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120686 831631038 /nfs/dbraw/zinc/63/10/38/831631038.db2.gz PHUHWZQRCZPSSU-SFHVURJKSA-N 2 0 332.448 -0.296 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158160608 831633033 /nfs/dbraw/zinc/63/30/33/831633033.db2.gz LGYAXLDLMOBRCO-GUYCJALGSA-N 2 0 340.468 -0.010 20 0 EBADRP [NH3+][C@@H](Cc1c[nH]c2ncccc12)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158168323 831635352 /nfs/dbraw/zinc/63/53/52/831635352.db2.gz UHDSCIDYTMXJLL-VHDGCEQUSA-N 2 0 329.404 -0.121 20 0 EBADRP C[C@@H]1CN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C[C@H](C)[NH2+]1 ZINC001158172163 831635920 /nfs/dbraw/zinc/63/59/20/831635920.db2.gz BBABJPQCWIVJAI-PHIMTYICSA-N 2 0 339.465 -0.245 20 0 EBADRP CCOC(=O)c1cc2n(n1)CCCN(C(=O)[C@@H]1C[NH2+]CC13C[NH2+]C3)C2 ZINC001158191640 831637910 /nfs/dbraw/zinc/63/79/10/831637910.db2.gz UZVPZWWUKWANKW-ZDUSSCGKSA-N 2 0 347.419 -0.399 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158202371 831638610 /nfs/dbraw/zinc/63/86/10/831638610.db2.gz SDTCZOYCXIHZRB-AAEUAGOBSA-N 2 0 339.440 -0.732 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158202398 831638943 /nfs/dbraw/zinc/63/89/43/831638943.db2.gz SOMFMUBMXLTSEW-CQSZACIVSA-N 2 0 346.497 -0.637 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC2(C1)CCCO2 ZINC001158240985 831640528 /nfs/dbraw/zinc/64/05/28/831640528.db2.gz PDANOVJQPUKOQA-KBPBESRZSA-N 2 0 338.452 -0.175 20 0 EBADRP [NH3+][C@H]1CCN(C2CCN(c3cncc(N4CC[NH2+]CC4)n3)CC2)C1 ZINC001158259833 831640764 /nfs/dbraw/zinc/64/07/64/831640764.db2.gz AEDNEOKTYCORFX-AWEZNQCLSA-N 2 0 331.468 -0.112 20 0 EBADRP COC[C@H](O)C[NH2+]CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001158287511 831643528 /nfs/dbraw/zinc/64/35/28/831643528.db2.gz FXOXQHHOLBLRQL-CYBMUJFWSA-N 2 0 327.429 -0.839 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NCCC[NH2+]CCS(C)(=O)=O)n1 ZINC001158287528 831644098 /nfs/dbraw/zinc/64/40/98/831644098.db2.gz GFYYCLYVFLMQOG-UHFFFAOYSA-N 2 0 345.469 -0.801 20 0 EBADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158305121 831644583 /nfs/dbraw/zinc/64/45/83/831644583.db2.gz CSEWPXNTGHIFHS-GARJFASQSA-N 2 0 336.358 -0.017 20 0 EBADRP O=C(c1ccc2c(c1)[C@H]1C[NH2+]C[C@H]1NC2=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158313226 831645006 /nfs/dbraw/zinc/64/50/06/831645006.db2.gz IDDTXBOTCBBPTQ-AEAUEXCSSA-N 2 0 326.400 -0.081 20 0 EBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCN2C(=O)c3ccccc3[C@@H]2C1 ZINC001158319634 831646328 /nfs/dbraw/zinc/64/63/28/831646328.db2.gz KLGMMNXHDLZARP-GJZGRUSLSA-N 2 0 326.400 -0.165 20 0 EBADRP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H]1CC[NH2+]1)C2 ZINC001158379840 831649974 /nfs/dbraw/zinc/64/99/74/831649974.db2.gz BCWIKGDISPKIJA-XDTLVQLUSA-N 2 0 335.326 -0.108 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]C[C@H](O)COCCOC)CC[N@@H+]1C ZINC001158403910 831651183 /nfs/dbraw/zinc/65/11/83/831651183.db2.gz MUUJGNHMXDVNOD-HRCADAONSA-N 2 0 345.484 -0.164 20 0 EBADRP CCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158486284 831658561 /nfs/dbraw/zinc/65/85/61/831658561.db2.gz JASHCGFHMJCSJW-KBPBESRZSA-N 2 0 326.441 -0.528 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158486110 831658627 /nfs/dbraw/zinc/65/86/27/831658627.db2.gz FSUIJWCMWWABSN-GJZGRUSLSA-N 2 0 340.468 -0.188 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1 ZINC001158495964 831661033 /nfs/dbraw/zinc/66/10/33/831661033.db2.gz HKKXGJLOHVMLOR-CTTWBBHYSA-N 2 0 337.420 -0.495 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]([NH3+])Cc1cscn1 ZINC001158496467 831661252 /nfs/dbraw/zinc/66/12/52/831661252.db2.gz OKLPIJINJGFRMH-XYJRDEOASA-N 2 0 338.433 -0.235 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C1=NO[C@]2(CC[NH2+]C2)C1 ZINC001158496489 831661296 /nfs/dbraw/zinc/66/12/96/831661296.db2.gz OZWBOFGPJCORQH-CNXAATOLSA-N 2 0 336.392 -0.753 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC001158499132 831661327 /nfs/dbraw/zinc/66/13/27/831661327.db2.gz WXEVBLHDOXQYEX-FIQHERPVSA-N 2 0 331.363 -0.017 20 0 EBADRP Cn1cc(CC[NH2+]CCCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)cn1 ZINC001158506100 831661994 /nfs/dbraw/zinc/66/19/94/831661994.db2.gz GVGAHASBDBSSEJ-JKSUJKDBSA-N 2 0 335.452 -0.078 20 0 EBADRP [NH3+][C@H]1CCCCN(CC(=O)N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)C1=O ZINC001158577297 831666660 /nfs/dbraw/zinc/66/66/60/831666660.db2.gz HDBYUIWPVCSGCT-AGIUHOORSA-N 2 0 326.416 -0.138 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(c1cncc(N3CC[NH2+]CC3)n1)CC2 ZINC001158637614 831673024 /nfs/dbraw/zinc/67/30/24/831673024.db2.gz VHPLKLHXPFSWKJ-DYVFJYSZSA-N 2 0 346.435 -0.382 20 0 EBADRP N[C@]1(C(=O)N(Cc2noc3c2C[NH2+]CC3)c2ncccn2)CC[NH2+]C1 ZINC001158660452 831676152 /nfs/dbraw/zinc/67/61/52/831676152.db2.gz SGJZVAKIWDRROW-MRXNPFEDSA-N 2 0 343.391 -0.666 20 0 EBADRP O=C([C@H]1C[NH2+]C[C@H]1O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158658471 831676440 /nfs/dbraw/zinc/67/64/40/831676440.db2.gz JXLOEHVMEGYFDW-WCQYABFASA-N 2 0 344.375 -0.776 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001158967833 831698615 /nfs/dbraw/zinc/69/86/15/831698615.db2.gz GDILAHQUKCQMQJ-MJBXVCDLSA-N 2 0 334.424 -0.651 20 0 EBADRP COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@@H](C)C[NH3+] ZINC001159078561 831706567 /nfs/dbraw/zinc/70/65/67/831706567.db2.gz XMZZZPCTSPCEFG-ZENOOKHLSA-N 2 0 327.425 -0.164 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCCC[NH2+]CC(=O)NC(=O)NC ZINC001159155113 831712111 /nfs/dbraw/zinc/71/21/11/831712111.db2.gz JDSSVBSFIQJWPS-LLVKDONJSA-N 2 0 333.408 -0.782 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001159155190 831712761 /nfs/dbraw/zinc/71/27/61/831712761.db2.gz KYNOTULXVNKDOB-LBPRGKRZSA-N 2 0 325.450 -0.193 20 0 EBADRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001159224906 831725839 /nfs/dbraw/zinc/72/58/39/831725839.db2.gz MLHYVMUPRZVVAK-KKUMJFAQSA-N 2 0 332.448 -0.203 20 0 EBADRP [NH3+]C[C@@H](O)CC(=O)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001159236321 831726596 /nfs/dbraw/zinc/72/65/96/831726596.db2.gz OKBNQKVIDJCJGC-AWEZNQCLSA-N 2 0 344.419 -0.333 20 0 EBADRP CCOC[C@H]1CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)Cc2cnn(C)c21 ZINC001159393694 831748610 /nfs/dbraw/zinc/74/86/10/831748610.db2.gz IJRGYJSMOVPHFX-ZIAGYGMSSA-N 2 0 333.436 -0.309 20 0 EBADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)C2 ZINC001159481047 831755742 /nfs/dbraw/zinc/75/57/42/831755742.db2.gz ICCWLRFUNCFDGX-MUQADHOPSA-N 2 0 337.464 -0.084 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21 ZINC001159599759 831765045 /nfs/dbraw/zinc/76/50/45/831765045.db2.gz NJHUPXIYSKFCGP-LXTVHRRPSA-N 2 0 338.452 -0.415 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001159623319 831766223 /nfs/dbraw/zinc/76/62/23/831766223.db2.gz CZWSDGOUWZZJIO-REWJHTLYSA-N 2 0 340.424 -0.635 20 0 EBADRP N[C@@H](CC[NH3+])C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159667856 831771577 /nfs/dbraw/zinc/77/15/77/831771577.db2.gz VKQCCWHGXBRYEV-OAGGEKHMSA-N 2 0 333.436 -0.441 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC001159787010 831782234 /nfs/dbraw/zinc/78/22/34/831782234.db2.gz PLUWOAFBYSZSAR-GFCCVEGCSA-N 2 0 329.426 -0.462 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])Nc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 ZINC001159788058 831783311 /nfs/dbraw/zinc/78/33/11/831783311.db2.gz GIQAYMLHCRBVTD-GFCCVEGCSA-N 2 0 341.437 -0.612 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159854723 831789308 /nfs/dbraw/zinc/78/93/08/831789308.db2.gz RSADWZMTTAIOLH-AWEZNQCLSA-N 2 0 331.457 -0.410 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)C(N)=O ZINC001159868688 831790000 /nfs/dbraw/zinc/79/00/00/831790000.db2.gz JZFVHWRGGYTNQN-GXTWGEPZSA-N 2 0 326.441 -0.401 20 0 EBADRP O=C(NCCC[NH2+][C@H]1CCNC1=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001159868822 831790658 /nfs/dbraw/zinc/79/06/58/831790658.db2.gz MNPJBYLRMVPFSD-GJZGRUSLSA-N 2 0 338.452 -0.386 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCOCC1)C1CC1 ZINC001159915573 831797090 /nfs/dbraw/zinc/79/70/90/831797090.db2.gz KYJYEIYMDLCACF-HNNXBMFYSA-N 2 0 326.441 -0.719 20 0 EBADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]([NH3+])CC[S@@](C)=O ZINC001159929349 831797721 /nfs/dbraw/zinc/79/77/21/831797721.db2.gz CUCUPDJNEWCTGN-PMCKQCSYSA-N 2 0 330.498 -0.681 20 0 EBADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001159930272 831798168 /nfs/dbraw/zinc/79/81/68/831798168.db2.gz QJGVJKQLDPSILR-ZOFXXKQRSA-N 2 0 336.480 -0.010 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1)C1CC1 ZINC001159933049 831798918 /nfs/dbraw/zinc/79/89/18/831798918.db2.gz YNSIXNOGOBCSAQ-CZUORRHYSA-N 2 0 340.468 -0.425 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]C[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC001159932843 831799314 /nfs/dbraw/zinc/79/93/14/831799314.db2.gz WFERAXMZWKLOBD-TZMCWYRMSA-N 2 0 331.482 -0.143 20 0 EBADRP O=C(c1ccco1)N1CC[C@H]2CN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]21 ZINC001160121415 831817774 /nfs/dbraw/zinc/81/77/74/831817774.db2.gz WTVYTIWIBLOUDX-MELADBBJSA-N 2 0 344.415 -0.239 20 0 EBADRP O=C([C@H]1C[NH2+]C[C@@H]1O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160138784 831818649 /nfs/dbraw/zinc/81/86/49/831818649.db2.gz QMUGKVSISHWUSH-JBXGNFEISA-N 2 0 346.431 -0.238 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001160274163 831830596 /nfs/dbraw/zinc/83/05/96/831830596.db2.gz PQURMCUZBGGEHV-CQSZACIVSA-N 2 0 325.457 -0.018 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)CC[C@H]1CCC[N@@H+]1C)C(=O)NC(N)=O ZINC001160274747 831830770 /nfs/dbraw/zinc/83/07/70/831830770.db2.gz WMWSAKHFOJSWHU-VXGBXAGGSA-N 2 0 327.429 -0.460 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160425986 831847941 /nfs/dbraw/zinc/84/79/41/831847941.db2.gz BVWQNZAVTMXZLV-CABCVRRESA-N 2 0 333.473 -0.308 20 0 EBADRP C[NH2+]CC1CCN(C(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)CC1 ZINC001160457110 831853675 /nfs/dbraw/zinc/85/36/75/831853675.db2.gz XVKRPAAXOIPOAN-CQSZACIVSA-N 2 0 343.493 -0.141 20 0 EBADRP O=C([C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCN(c2cccnn2)CC1 ZINC001160572057 831865300 /nfs/dbraw/zinc/86/53/00/831865300.db2.gz YMOGPFRFHUOFHF-AWEZNQCLSA-N 2 0 330.436 -0.001 20 0 EBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCN(C2CCOCC2)C(=O)C1 ZINC001160637030 831873305 /nfs/dbraw/zinc/87/33/05/831873305.db2.gz IXQCNGYRRDNBQU-HNNXBMFYSA-N 2 0 340.468 -0.105 20 0 EBADRP COC(=O)[C@]1(C)CCCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001160635236 831873412 /nfs/dbraw/zinc/87/34/12/831873412.db2.gz HZGSFDOLWICSSR-XJKSGUPXSA-N 2 0 326.441 -0.462 20 0 EBADRP O=C([C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)N1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001160640663 831874279 /nfs/dbraw/zinc/87/42/79/831874279.db2.gz KWBULNYHACKRDW-GFCCVEGCSA-N 2 0 333.392 -0.353 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)CCO1 ZINC001160643580 831874329 /nfs/dbraw/zinc/87/43/29/831874329.db2.gz JGEOBHRLKIIYGD-UWVGGRQHSA-N 2 0 340.346 -0.651 20 0 EBADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2Oc3ccccc3C23CC[NH2+]CC3)C[C@H]1O ZINC001160652885 831876848 /nfs/dbraw/zinc/87/68/48/831876848.db2.gz PLIAASJOEFJJBP-IIAWOOMASA-N 2 0 331.416 -0.011 20 0 EBADRP CN(C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C1CCS(=O)(=O)CC1 ZINC001160718519 831881155 /nfs/dbraw/zinc/88/11/55/831881155.db2.gz LDWHFYKVFYBZBM-CYBMUJFWSA-N 2 0 329.466 -0.104 20 0 EBADRP CCNC(=O)CO[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001160747833 831883264 /nfs/dbraw/zinc/88/32/64/831883264.db2.gz WOQNELJXSNLFBI-CKEIUWERSA-N 2 0 338.452 -0.671 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001160765707 831884669 /nfs/dbraw/zinc/88/46/69/831884669.db2.gz FCAUVJFNTQDYDP-FIQHERPVSA-N 2 0 336.358 -0.333 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC2(C[C@H](F)CO2)CC1 ZINC001160788252 831886947 /nfs/dbraw/zinc/88/69/47/831886947.db2.gz PUJVPCKHUYMQML-JSGCOSHPSA-N 2 0 328.432 -0.144 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)C3CC4(C[NH2+]C4)C3)C[C@H]1C2 ZINC001160792026 831887411 /nfs/dbraw/zinc/88/74/11/831887411.db2.gz LWYJLMREODNYAY-NPSOMJIGSA-N 2 0 333.432 -0.157 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)C[C@@]3(O)CCC[NH2+]C3)C[C@H]1C[NH2+]CC2 ZINC001160811664 831889817 /nfs/dbraw/zinc/88/98/17/831889817.db2.gz SBNKLMQRRPWCEX-XOKHGSTOSA-N 2 0 339.436 -0.508 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)[C@H]3C[C@@H](OC)CC[NH2+]3)C[C@H]1C[NH2+]CC2 ZINC001160813895 831890110 /nfs/dbraw/zinc/89/01/10/831890110.db2.gz KSPPUPZAQHTANU-UMPJEAMMSA-N 2 0 339.436 -0.245 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)[C@H]3C[N@H+](C)CCN3C)C[C@H]1C[NH2+]CC2 ZINC001160812445 831890133 /nfs/dbraw/zinc/89/01/33/831890133.db2.gz QBRPGAFOUHSGPO-CKEIUWERSA-N 2 0 338.452 -0.767 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001160835366 831893462 /nfs/dbraw/zinc/89/34/62/831893462.db2.gz ZYJRFXOCGWCBAJ-UHFFFAOYSA-N 2 0 325.413 -0.847 20 0 EBADRP COc1cccnc1N1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001160845967 831894079 /nfs/dbraw/zinc/89/40/79/831894079.db2.gz BHCOZAAXNDSFBJ-ZDUSSCGKSA-N 2 0 331.420 -0.452 20 0 EBADRP CN(C(=O)CN1CCN(C(=O)C[NH2+]CCC[NH3+])CC1)c1ccccc1 ZINC001160893729 831904022 /nfs/dbraw/zinc/90/40/22/831904022.db2.gz JRQUMZLGHVRZHQ-UHFFFAOYSA-N 2 0 347.463 -0.268 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161001495 831913329 /nfs/dbraw/zinc/91/33/29/831913329.db2.gz YQAVYMPIXZWXFE-IHRRRGAJSA-N 2 0 340.468 -0.420 20 0 EBADRP [NH3+]C1(C(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)CCC2(CC1)OCCO2 ZINC001161008675 831913458 /nfs/dbraw/zinc/91/34/58/831913458.db2.gz QLPHEQOLPIFUPE-ZDUSSCGKSA-N 2 0 339.436 -0.284 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001161052033 831918008 /nfs/dbraw/zinc/91/80/08/831918008.db2.gz GVUANBKCUPZRRR-CABCVRRESA-N 2 0 340.468 -0.281 20 0 EBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)COC1(C)C ZINC001161083835 831921233 /nfs/dbraw/zinc/92/12/33/831921233.db2.gz UOOLFLLVHXRBPU-XUXIUFHCSA-N 2 0 338.452 -0.150 20 0 EBADRP [NH3+]CCN(CCNc1cccc(N2CCC([NH3+])CC2)n1)N(O)N=O ZINC001161092195 831923237 /nfs/dbraw/zinc/92/32/37/831923237.db2.gz NBEYKSGQPRKQDR-UHFFFAOYSA-N 2 0 338.416 -0.031 20 0 EBADRP CC(=O)N1CCC[C@H](N(C)C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001161132212 831928890 /nfs/dbraw/zinc/92/88/90/831928890.db2.gz WHTDZHSYPPPWHA-LSDHHAIUSA-N 2 0 325.457 -0.794 20 0 EBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1C[NH2+]CC12CCOCC2 ZINC001161158009 831933519 /nfs/dbraw/zinc/93/35/19/831933519.db2.gz NNURCWZTLWHXTG-ZDUSSCGKSA-N 2 0 327.425 -0.257 20 0 EBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001161159140 831934026 /nfs/dbraw/zinc/93/40/26/831934026.db2.gz VRRGTZGTRZGQEQ-HUUCEWRRSA-N 2 0 340.468 -0.057 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O ZINC001161226337 831938353 /nfs/dbraw/zinc/93/83/53/831938353.db2.gz DIHMICGVEBEDOA-UHFFFAOYSA-N 2 0 336.502 -0.296 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC[C@H](Oc2ncccn2)C1 ZINC001161294893 831944423 /nfs/dbraw/zinc/94/44/23/831944423.db2.gz AFPOENSUUHIJBA-RYUDHWBXSA-N 2 0 325.438 -0.134 20 0 EBADRP COc1cnc(O[C@H]2CCN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C2)nc1 ZINC001161299013 831945683 /nfs/dbraw/zinc/94/56/83/831945683.db2.gz REILCAZYRAJAAB-IIYDPXPESA-N 2 0 347.419 -0.336 20 0 EBADRP Cc1ccnc(N2CCN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)CC2)n1 ZINC001161304306 831946021 /nfs/dbraw/zinc/94/60/21/831946021.db2.gz ZNTGSOQGRJQLMV-HNNXBMFYSA-N 2 0 347.467 -0.816 20 0 EBADRP COc1ccc(C(=O)N2CCN(C(=O)C[NH2+]CCC[NH3+])CC2)cc1 ZINC001161304121 831946274 /nfs/dbraw/zinc/94/62/74/831946274.db2.gz VBFOGMRQPISKHM-UHFFFAOYSA-N 2 0 334.420 -0.082 20 0 EBADRP COc1cc(C)nc(N(C(=O)[C@@H]2C[NH2+]CCN2)C2CC[NH2+]CC2)n1 ZINC001161309499 831947536 /nfs/dbraw/zinc/94/75/36/831947536.db2.gz RCRGNDNFRWIDLX-ZDUSSCGKSA-N 2 0 334.424 -0.560 20 0 EBADRP CN(CC(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]C1 ZINC001161447453 831957792 /nfs/dbraw/zinc/95/77/92/831957792.db2.gz XOFDPCALUZWROK-HOTGVXAUSA-N 3 0 325.501 -0.188 20 0 EBADRP CCn1nnc2c1[C@@H](C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1)CNC2 ZINC001161442951 831958120 /nfs/dbraw/zinc/95/81/20/831958120.db2.gz JFXDTAVHYICSDZ-KBPBESRZSA-N 2 0 349.483 -0.373 20 0 EBADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161449526 831959024 /nfs/dbraw/zinc/95/90/24/831959024.db2.gz NNVVYZILGCCCNF-DZKIICNBSA-N 3 0 341.500 -0.382 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]([NH3+])Cc1cscn1)CC2 ZINC001161478219 831963171 /nfs/dbraw/zinc/96/31/71/831963171.db2.gz LOZDAMLUGIVQMZ-SLEUVZQESA-N 2 0 338.433 -0.234 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)COC1CC[NH2+]CC1)CC2 ZINC001161479190 831963324 /nfs/dbraw/zinc/96/33/24/831963324.db2.gz OYXHPXMDOGQHFO-CZUORRHYSA-N 2 0 325.409 -0.491 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1C[C@@H]3CC[NH2+]C[C@H]3O1)CC2 ZINC001161481289 831964197 /nfs/dbraw/zinc/96/41/97/831964197.db2.gz XJFJWGLPGHANSH-LHLGERLTSA-N 2 0 337.420 -0.493 20 0 EBADRP C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H]2C[NH2+]CC23CCS(=O)(=O)CC3)C1 ZINC001161489872 831966069 /nfs/dbraw/zinc/96/60/69/831966069.db2.gz QEPGWGRHTCSTHV-ZFWWWQNUSA-N 2 0 343.493 -0.012 20 0 EBADRP [NH3+][C@H]1CN(C(=O)[C@@H]2Cn3ccnc3C23CC[NH2+]CC3)CC12COC2 ZINC001161501113 831967007 /nfs/dbraw/zinc/96/70/07/831967007.db2.gz SLBVBGPWYGFWKS-STQMWFEESA-N 2 0 331.420 -0.680 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)[C@H](c2ccco2)N2CCC[NH2+]CC2)CC12COC2 ZINC001161501455 831967055 /nfs/dbraw/zinc/96/70/55/831967055.db2.gz YLBSNNQZTBCANB-CABCVRRESA-N 2 0 334.420 -0.198 20 0 EBADRP O=C(c1cnn2c1nccc2[C@H]1C[NH2+]CCO1)N1CC[NH2+]C2(CC2)C1 ZINC001161561730 831971726 /nfs/dbraw/zinc/97/17/26/831971726.db2.gz WAJRNZSOHOWSBY-CQSZACIVSA-N 2 0 342.403 -0.032 20 0 EBADRP CCOC(=O)c1c2c(nn1C)CN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C2 ZINC001161602261 831977040 /nfs/dbraw/zinc/97/70/40/831977040.db2.gz VOPHUJFJQKQDLS-ZDUSSCGKSA-N 2 0 335.408 -0.234 20 0 EBADRP CCOC(=O)c1c2c(nn1C)CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2 ZINC001161605260 831977174 /nfs/dbraw/zinc/97/71/74/831977174.db2.gz UXXHSLAOMIHTSS-JTQLQIEISA-N 2 0 341.437 -0.542 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])c1cncc(OCC[NH+]2CCCC2)n1 ZINC001162123842 832019429 /nfs/dbraw/zinc/01/94/29/832019429.db2.gz FTRPJLIHZBVCRZ-UHFFFAOYSA-N 2 0 329.426 -0.324 20 0 EBADRP C[NH+](C)CCCNC(=O)c1cccnc1N(CC[NH3+])S(C)(=O)=O ZINC001162123653 832019607 /nfs/dbraw/zinc/01/96/07/832019607.db2.gz BQQVTAJRYJKPBV-UHFFFAOYSA-N 2 0 343.453 -0.512 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])c1ccc([C@@H]2CC3(C[NH2+]C3)C(=O)N2)cc1 ZINC001162127540 832021071 /nfs/dbraw/zinc/02/10/71/832021071.db2.gz WHEFHSKQAJYLRD-ZDUSSCGKSA-N 2 0 338.433 -0.438 20 0 EBADRP COCC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001162604556 832056292 /nfs/dbraw/zinc/05/62/92/832056292.db2.gz XLGPBXNDWKTZLO-UONOGXRCSA-N 2 0 340.468 -0.343 20 0 EBADRP Cn1cncc1C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162871933 832067503 /nfs/dbraw/zinc/06/75/03/832067503.db2.gz BEXNSPWVWPUDPQ-GNHJJJEISA-N 2 0 333.436 -0.121 20 0 EBADRP O=C(NCCC[NH2+]CCn1cncn1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872563 832068793 /nfs/dbraw/zinc/06/87/93/832068793.db2.gz WEXYVLYOYWQTHX-NPCAHTBFSA-N 2 0 334.424 -0.763 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001163232687 832091554 /nfs/dbraw/zinc/09/15/54/832091554.db2.gz ZUDKWQHZZUOFCW-CQSZACIVSA-N 2 0 346.497 -0.494 20 0 EBADRP O=C(NCCC[NH2+][C@H]1CCC(=O)NC1=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001163232097 832091927 /nfs/dbraw/zinc/09/19/27/832091927.db2.gz MUIWRJTZSCNJEK-ZFWWWQNUSA-N 2 0 336.436 -0.238 20 0 EBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ccc([C@@H]3CC4(C[NH2+]C4)C(=O)N3)cc2)N1 ZINC001163249941 832093577 /nfs/dbraw/zinc/09/35/77/832093577.db2.gz LMZUIEHTACMFBP-DEYYWGMASA-N 2 0 341.415 -0.173 20 0 EBADRP O=C(c1ccc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)cc1)N1CC[NH2+]CC1 ZINC001163254206 832094234 /nfs/dbraw/zinc/09/42/34/832094234.db2.gz QANYCHCWDYKYGI-PBHICJAKSA-N 2 0 329.404 -0.278 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001350046865 832109619 /nfs/dbraw/zinc/10/96/19/832109619.db2.gz REVLFAWNEVKEKM-ZDUSSCGKSA-N 2 0 325.457 -0.922 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001350069868 832113211 /nfs/dbraw/zinc/11/32/11/832113211.db2.gz SFADPXGMLOOILG-HUUCEWRRSA-N 2 0 340.468 -0.471 20 0 EBADRP Cc1cc(OC2CC[NH2+]CC2)nc(N(C)S(=O)(=O)CC[NH3+])n1 ZINC001164287028 832180464 /nfs/dbraw/zinc/18/04/64/832180464.db2.gz HNKVOJNSJKMZLR-UHFFFAOYSA-N 2 0 329.426 -0.359 20 0 EBADRP Cn1nnnc1C[NH2+]CC1(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001164554836 832197425 /nfs/dbraw/zinc/19/74/25/832197425.db2.gz ICFBKDRLZMVEJC-AWEZNQCLSA-N 2 0 347.467 -0.072 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)NC(N)=O ZINC001164576721 832199238 /nfs/dbraw/zinc/19/92/38/832199238.db2.gz DMBLNUGPBFHQMR-SRVKXCTJSA-N 2 0 327.429 -0.604 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)c1occc1C[NH+](C)C)C(=O)NC(N)=O ZINC001165246885 832208346 /nfs/dbraw/zinc/20/83/46/832208346.db2.gz VLIUAHSPSONDDB-SNVBAGLBSA-N 2 0 339.396 -0.366 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165264006 832209880 /nfs/dbraw/zinc/20/98/80/832209880.db2.gz ZHYYKHMZTBSAFQ-UHFFFAOYSA-N 2 0 328.457 -0.423 20 0 EBADRP C[NH+](C)CCCC(=O)NCCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001165367302 832217619 /nfs/dbraw/zinc/21/76/19/832217619.db2.gz QYPKLWBMXQBWPB-HNNXBMFYSA-N 2 0 345.484 -0.019 20 0 EBADRP CS(=O)(=O)c1nc2c(c(N3CCC[C@H]4[NH2+]C[C@H]43)n1)CC[NH2+]CC2 ZINC001165387662 832218474 /nfs/dbraw/zinc/21/84/74/832218474.db2.gz QOMNCMZKZBLPGE-CHWSQXEVSA-N 2 0 337.449 -0.491 20 0 EBADRP Cn1nnnc1C[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001165485384 832223594 /nfs/dbraw/zinc/22/35/94/832223594.db2.gz UGEDDNSNFSRVBS-CQSZACIVSA-N 2 0 335.456 -0.074 20 0 EBADRP C[NH+](C)CCC(=O)NCCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001165781355 832237301 /nfs/dbraw/zinc/23/73/01/832237301.db2.gz QQLDZDLYAXOSQD-AWEZNQCLSA-N 2 0 331.457 -0.410 20 0 EBADRP Cn1cc(N2CC[C@@H]([NH2+]CCCNC(=O)CC[NH+](C)C)C2=O)cn1 ZINC001165781104 832237604 /nfs/dbraw/zinc/23/76/04/832237604.db2.gz GDKWWORPCQAHPO-CQSZACIVSA-N 2 0 336.440 -0.427 20 0 EBADRP CC(C)[C@H](C(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O)[NH+](C)C ZINC001166009918 832245772 /nfs/dbraw/zinc/24/57/72/832245772.db2.gz CKUOHJAPAQJZEW-GOEBONIOSA-N 2 0 342.484 -0.348 20 0 EBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC001351604306 832257837 /nfs/dbraw/zinc/25/78/37/832257837.db2.gz HHVNFODXKFAYHH-ZDUSSCGKSA-N 2 0 344.375 -0.611 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001166627041 832275274 /nfs/dbraw/zinc/27/52/74/832275274.db2.gz ONROHFUWSFXXKZ-GJZGRUSLSA-N 2 0 340.468 -0.450 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166667799 832277395 /nfs/dbraw/zinc/27/73/95/832277395.db2.gz ITGIMWXUGBINLF-CQSZACIVSA-N 2 0 328.457 -0.423 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001166667903 832277951 /nfs/dbraw/zinc/27/79/51/832277951.db2.gz KWFHQLOHCLDLEH-LSDHHAIUSA-N 2 0 340.468 -0.281 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166677751 832278786 /nfs/dbraw/zinc/27/87/86/832278786.db2.gz MJXQIMGDNWFKIR-CYBMUJFWSA-N 2 0 334.486 -0.637 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001166706806 832281095 /nfs/dbraw/zinc/28/10/95/832281095.db2.gz AHWVNFIWVXAQPP-NWDGAFQWSA-N 2 0 327.429 -0.874 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC(F)(F)F ZINC001166708180 832282600 /nfs/dbraw/zinc/28/26/00/832282600.db2.gz NPYLIIFBSORZKU-WDEREUQCSA-N 2 0 338.374 -0.042 20 0 EBADRP C[N@H+](CCc1ccccc1)CC(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001166751026 832286815 /nfs/dbraw/zinc/28/68/15/832286815.db2.gz PYTOOXQLBVJRKN-UHFFFAOYSA-N 2 0 349.435 -0.548 20 0 EBADRP CC[C@@H](C(=O)NCCC[NH2+]C[C@H](O)COC1CCOCC1)[NH+](C)C ZINC001166852953 832293759 /nfs/dbraw/zinc/29/37/59/832293759.db2.gz ZYGZSAGVUPECFY-HOCLYGCPSA-N 2 0 345.484 -0.021 20 0 EBADRP CCN(CCCNC(=O)[C@@H]1CN(C)CCO1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001352090394 832305451 /nfs/dbraw/zinc/30/54/51/832305451.db2.gz FTYFGVKUVBBYMM-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC1(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001167481044 832344954 /nfs/dbraw/zinc/34/49/54/832344954.db2.gz XZUHHPHSFHBZFW-UHFFFAOYSA-N 2 0 327.429 -0.601 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167655266 832361077 /nfs/dbraw/zinc/36/10/77/832361077.db2.gz KKQNUUSRNUQKLK-UHFFFAOYSA-N 2 0 341.456 -0.340 20 0 EBADRP CN(CC[NH2+]CCCNC(=O)CC1CC[NH+](C)CC1)S(C)(=O)=O ZINC001167655195 832361827 /nfs/dbraw/zinc/36/18/27/832361827.db2.gz IHFPTUHFESBSAA-UHFFFAOYSA-N 2 0 348.513 -0.294 20 0 EBADRP Cn1nncc1C[NH2+]CC1(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001167733198 832368227 /nfs/dbraw/zinc/36/82/27/832368227.db2.gz WBCLRSBJIFCKRL-UHFFFAOYSA-N 2 0 338.456 -0.231 20 0 EBADRP Cn1nnnc1C[NH2+]CC1(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001167737180 832368647 /nfs/dbraw/zinc/36/86/47/832368647.db2.gz NZIMVCPBEVFIFY-CYBMUJFWSA-N 2 0 335.456 -0.072 20 0 EBADRP O=C(NCCC1(C[NH2+]CCOCCO)CC1)C12CC[NH+](CC1)C2 ZINC001167748090 832370492 /nfs/dbraw/zinc/37/04/92/832370492.db2.gz DZQGYFBRXGYITB-UHFFFAOYSA-N 2 0 325.453 -0.033 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168031104 832388575 /nfs/dbraw/zinc/38/85/75/832388575.db2.gz WYFNOPHHLALQTG-KGLIPLIRSA-N 2 0 346.497 -0.352 20 0 EBADRP C[C@H]([NH3+])CNC(=O)C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001353046548 832394463 /nfs/dbraw/zinc/39/44/63/832394463.db2.gz ANIVDHBFJWUANQ-KSSFIOAISA-N 2 0 348.447 -0.455 20 0 EBADRP C[C@H]([NH3+])CCNC(=O)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001353055504 832396402 /nfs/dbraw/zinc/39/64/02/832396402.db2.gz MCEFUKUKNDKQPC-AWEZNQCLSA-N 2 0 347.463 -0.092 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC2(C[NH2+]CCNS(C)(=O)=O)CC2)C1 ZINC001168138700 832398805 /nfs/dbraw/zinc/39/88/05/832398805.db2.gz VBQQFFFHOUEHMZ-CYBMUJFWSA-N 2 0 346.497 -0.637 20 0 EBADRP CNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001168153608 832400516 /nfs/dbraw/zinc/40/05/16/832400516.db2.gz OLLLFQSITDQIPP-AWEZNQCLSA-N 2 0 340.468 -0.423 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC1(C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001168153528 832400559 /nfs/dbraw/zinc/40/05/59/832400559.db2.gz LKWVDWYEXGCPJZ-KBPBESRZSA-N 2 0 340.468 -0.295 20 0 EBADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC001353170302 832412248 /nfs/dbraw/zinc/41/22/48/832412248.db2.gz FTXARUDHTOFNDQ-ZFWWWQNUSA-N 2 0 339.484 -0.676 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001353182232 832413559 /nfs/dbraw/zinc/41/35/59/832413559.db2.gz CIUUMDBWSFERJG-KGLIPLIRSA-N 2 0 337.468 -0.922 20 0 EBADRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001353273562 832419025 /nfs/dbraw/zinc/41/90/25/832419025.db2.gz PQMLEAQCRISSQU-SJORKVTESA-N 2 0 327.517 -0.790 20 0 EBADRP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001353335529 832422984 /nfs/dbraw/zinc/42/29/84/832422984.db2.gz CSHARKKUZFRRHR-GASCZTMLSA-N 2 0 340.468 -0.282 20 0 EBADRP C[N@@H+]1CCN(CCNC(=O)NCCN2CCC([NH3+])CC2)CC1(C)C ZINC001353402122 832426282 /nfs/dbraw/zinc/42/62/82/832426282.db2.gz HUORQBCVLGCKQN-UHFFFAOYSA-N 2 0 340.516 -0.265 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001353480055 832430400 /nfs/dbraw/zinc/43/04/00/832430400.db2.gz MCDNOBUPXCTGMW-AWEZNQCLSA-N 2 0 338.452 -0.623 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001170222530 832493351 /nfs/dbraw/zinc/49/33/51/832493351.db2.gz MGZRMRXDQAZKKR-CQSZACIVSA-N 2 0 348.513 -0.294 20 0 EBADRP C[NH+]1CCC(NC(=O)c2ccc(N[C@H]3C[NH2+]C[C@H]3CO)nn2)CC1 ZINC001170778079 832525096 /nfs/dbraw/zinc/52/50/96/832525096.db2.gz KUXMYSIQEXZKBH-FZMZJTMJSA-N 2 0 334.424 -0.707 20 0 EBADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001171161611 832549875 /nfs/dbraw/zinc/54/98/75/832549875.db2.gz PCOSJIPTIBWFSX-VXGBXAGGSA-N 2 0 327.429 -0.602 20 0 EBADRP CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171216881 832551235 /nfs/dbraw/zinc/55/12/35/832551235.db2.gz KIEZWWGGSQYPJR-ZIAGYGMSSA-N 2 0 330.473 -0.036 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CC(=O)Nc2cnccn2)C1 ZINC001171216835 832551566 /nfs/dbraw/zinc/55/15/66/832551566.db2.gz IYWSVHRXJXLCHO-ZDUSSCGKSA-N 2 0 334.424 -0.147 20 0 EBADRP O=C(NCCC[NH2+]CCCN1C(=O)CNC1=O)C12CC[NH+](CC1)C2 ZINC001171292972 832554439 /nfs/dbraw/zinc/55/44/39/832554439.db2.gz BQODHHQHDJKDKD-UHFFFAOYSA-N 2 0 337.424 -0.880 20 0 EBADRP C[C@@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171539167 832562864 /nfs/dbraw/zinc/56/28/64/832562864.db2.gz RMXMFTHUHKWZNJ-QWHCGFSZSA-N 2 0 341.456 -0.070 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171579231 832565780 /nfs/dbraw/zinc/56/57/80/832565780.db2.gz QYTASKAAANFAJZ-UHFFFAOYSA-N 2 0 329.445 -0.340 20 0 EBADRP C[C@@H](CCCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)CC[NH+](C)C ZINC001175047815 832614001 /nfs/dbraw/zinc/61/40/01/832614001.db2.gz CLMLJQLFNFMJPK-LBPRGKRZSA-N 2 0 326.445 -0.175 20 0 EBADRP CC(C)OCCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176089388 832656335 /nfs/dbraw/zinc/65/63/35/832656335.db2.gz YKVCEQVHILGTFW-HNNXBMFYSA-N 2 0 342.484 -0.035 20 0 EBADRP CCOCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176095885 832657563 /nfs/dbraw/zinc/65/75/63/832657563.db2.gz KGVDJCDPCYFSOD-HUUCEWRRSA-N 2 0 342.484 -0.035 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)C[NH+]1CCCC1)C(=O)NC[C@H]1CCCO1 ZINC001176118380 832658212 /nfs/dbraw/zinc/65/82/12/832658212.db2.gz NQOPOJSYIZUVPG-HUUCEWRRSA-N 2 0 340.468 -0.138 20 0 EBADRP CCCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176161045 832660206 /nfs/dbraw/zinc/66/02/06/832660206.db2.gz MIXAHPJLZUDHAL-AWEZNQCLSA-N 2 0 328.457 -0.423 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@H]1CCCN(C)C1=O ZINC001176161427 832660296 /nfs/dbraw/zinc/66/02/96/832660296.db2.gz PRQLCCMHKOFLHB-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP CCN1CC[C@H]([NH2+]CCCNC(=O)[C@H](C)C[NH+]2CCOCC2)C1=O ZINC001176161341 832660356 /nfs/dbraw/zinc/66/03/56/832660356.db2.gz OGBXHVGMEJPIQF-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001176986746 832725805 /nfs/dbraw/zinc/72/58/05/832725805.db2.gz VCWRDFBKLLUANH-UHFFFAOYSA-N 2 0 339.440 -0.980 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CCNS(C)(=O)=O ZINC001178045347 832815966 /nfs/dbraw/zinc/81/59/66/832815966.db2.gz JBDQPSGRSLQCMT-CQSZACIVSA-N 2 0 348.513 -0.104 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178357127 832852703 /nfs/dbraw/zinc/85/27/03/832852703.db2.gz WSOTYXVRMJSACM-SRVKXCTJSA-N 2 0 325.413 -0.885 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001178730767 832906147 /nfs/dbraw/zinc/90/61/47/832906147.db2.gz BRADOGDSXKYNDN-XQHKEYJVSA-N 2 0 339.440 -0.639 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001178990109 832938047 /nfs/dbraw/zinc/93/80/47/832938047.db2.gz HSWOWNSOQOJOAC-RWMBFGLXSA-N 2 0 341.456 -0.249 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]C[C@H](O)COCCOC)[C@@H]1C)[NH+](C)C ZINC001178990025 832938186 /nfs/dbraw/zinc/93/81/86/832938186.db2.gz FOHKEHNGSIOAOT-YHUYYLMFSA-N 2 0 345.484 -0.071 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179439177 832978343 /nfs/dbraw/zinc/97/83/43/832978343.db2.gz IPXOAPILQKBMAG-AGIUHOORSA-N 2 0 341.456 -0.249 20 0 EBADRP C[NH+](C)CCC(=O)NCCCCCC[NH2+]CCNS(C)(=O)=O ZINC001179464562 832980958 /nfs/dbraw/zinc/98/09/58/832980958.db2.gz YAKGCQXOIJJZEC-UHFFFAOYSA-N 2 0 336.502 -0.247 20 0 EBADRP CO[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436648 837683702 /nfs/dbraw/zinc/68/37/02/837683702.db2.gz BKFHYCYGHKPSSV-FMKPAKJESA-N 2 0 340.468 -0.333 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001187083454 833897207 /nfs/dbraw/zinc/89/72/07/833897207.db2.gz JJUHPPBXTMBNHQ-UONOGXRCSA-N 2 0 346.497 -0.542 20 0 EBADRP CC(C)N1CC[C@H]([NH2+][C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)C1=O ZINC001187106776 833902042 /nfs/dbraw/zinc/90/20/42/833902042.db2.gz LMQVEUSAXVSKAS-CABCVRRESA-N 2 0 340.468 -0.236 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001187121803 833903122 /nfs/dbraw/zinc/90/31/22/833903122.db2.gz MACHGRKDVXAHQP-UONOGXRCSA-N 2 0 347.481 -0.810 20 0 EBADRP CC(C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001187851959 833973907 /nfs/dbraw/zinc/97/39/07/833973907.db2.gz XCXHSKKIJMVXRR-LSDHHAIUSA-N 2 0 340.468 -0.330 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001188106392 834003989 /nfs/dbraw/zinc/00/39/89/834003989.db2.gz JJLGMPLMUKYMQU-CYBMUJFWSA-N 2 0 339.440 -0.492 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001188145747 834013180 /nfs/dbraw/zinc/01/31/80/834013180.db2.gz MRWLRSZJYNNGJE-CYBMUJFWSA-N 2 0 341.456 -0.247 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213252559 837733708 /nfs/dbraw/zinc/73/37/08/837733708.db2.gz KQVGQTSDKXPVPZ-RBSFLKMASA-N 2 0 343.468 -0.317 20 0 EBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cnc(N2CCOCC2)nc1 ZINC001189402366 834151674 /nfs/dbraw/zinc/15/16/74/834151674.db2.gz BOLKDMSCWHTXHF-UHFFFAOYSA-N 2 0 349.439 -0.009 20 0 EBADRP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189810788 834194919 /nfs/dbraw/zinc/19/49/19/834194919.db2.gz HEUNUAWRKASEKM-SOUVJXGZSA-N 2 0 340.468 -0.426 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001190675475 834315125 /nfs/dbraw/zinc/31/51/25/834315125.db2.gz OMPNBZZZJUWVGU-WCQYABFASA-N 2 0 339.440 -0.413 20 0 EBADRP CO[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)C[NH+](C)CCc1ccccc1 ZINC001213451733 837777370 /nfs/dbraw/zinc/77/73/70/837777370.db2.gz JHZSAYCBKMDVKP-IAGOWNOFSA-N 2 0 335.448 -0.031 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192141017 834616354 /nfs/dbraw/zinc/61/63/54/834616354.db2.gz ABERHQZJEQESMK-QWHCGFSZSA-N 2 0 341.456 -0.295 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)C(=O)NC(=O)NC)C1 ZINC001192948595 834769947 /nfs/dbraw/zinc/76/99/47/834769947.db2.gz TXWRLWBBPKDAHD-CHWSQXEVSA-N 2 0 341.456 -0.295 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@H+](C)C[C@H](O)COCCOC)C1 ZINC001192970863 834773634 /nfs/dbraw/zinc/77/36/34/834773634.db2.gz ZLSPOLRIAFIYIO-CVEARBPZSA-N 2 0 345.484 -0.115 20 0 EBADRP C[C@H](C(=O)N(C)C)[N@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488175 834888222 /nfs/dbraw/zinc/88/82/22/834888222.db2.gz LQQMJGQTGXDXRJ-ZIAGYGMSSA-N 2 0 328.457 -0.426 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193499975 834892319 /nfs/dbraw/zinc/89/23/19/834892319.db2.gz NHSCFCWTPVTKFG-NEPJUHHUSA-N 2 0 337.424 -0.802 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)[C@H](C)C(=O)NC(N)=O)C1 ZINC001193612148 834915008 /nfs/dbraw/zinc/91/50/08/834915008.db2.gz ZQFJNIYPVFWRPS-OLZOCXBDSA-N 2 0 341.456 -0.166 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194039347 835004407 /nfs/dbraw/zinc/00/44/07/835004407.db2.gz MZTZITACMUEWCC-NWDGAFQWSA-N 2 0 325.413 -0.802 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001195677434 835271030 /nfs/dbraw/zinc/27/10/30/835271030.db2.gz PZGOQYFSXXUCDP-RRFJBIMHSA-N 2 0 325.453 -0.084 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1CN(CCOC[C@H]2CCCO2)C[C@H]1O ZINC001195708231 835275975 /nfs/dbraw/zinc/27/59/75/835275975.db2.gz JMYUBCPDYFBVKS-BZUAXINKSA-N 2 0 343.468 -0.315 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC[C@H]2CO1)N1CCC[N@@H+](CCOCCO)CC1 ZINC001195908102 835310026 /nfs/dbraw/zinc/31/00/26/835310026.db2.gz UFOKOVDKXZOGDN-HOTGVXAUSA-N 2 0 341.452 -0.607 20 0 EBADRP CCCCCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](O)COC)C[C@H]1O ZINC001197000337 835494313 /nfs/dbraw/zinc/49/43/13/835494313.db2.gz DRBKXLGUSMMGLU-BZUAXINKSA-N 2 0 345.484 -0.333 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@H](O)COCC(C)C)C[C@H]1O ZINC001197493363 835563575 /nfs/dbraw/zinc/56/35/75/835563575.db2.gz KCFVFPIKCWUBSQ-ARFHVFGLSA-N 2 0 345.484 -0.477 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001197568542 835579738 /nfs/dbraw/zinc/57/97/38/835579738.db2.gz LZVXNMGYZJHXRG-OAHLLOKOSA-N 2 0 343.468 -0.361 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCC[C@@H]2CCOC2)C[C@H]1O ZINC001197825420 835613263 /nfs/dbraw/zinc/61/32/63/835613263.db2.gz DCFYTDREWSSVLC-BZUAXINKSA-N 2 0 343.468 -0.457 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CCC[C@H]2CCOC2)C[C@H]1O ZINC001197825418 835613344 /nfs/dbraw/zinc/61/33/44/835613344.db2.gz DCFYTDREWSSVLC-ARFHVFGLSA-N 2 0 343.468 -0.457 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC[C@H]2CCCCO2)C[C@H]1O ZINC001197826205 835613945 /nfs/dbraw/zinc/61/39/45/835613945.db2.gz QMZQXOABFYLKCC-BZUAXINKSA-N 2 0 343.468 -0.315 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](C[C@H]2CCCCO2)C[C@H]1O ZINC001197826443 835614299 /nfs/dbraw/zinc/61/42/99/835614299.db2.gz XJWFVJJMXUQVMD-RBSFLKMASA-N 2 0 329.441 -0.705 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[NH+](C[C@H](O)COCCOC)CC1 ZINC001197922216 835621971 /nfs/dbraw/zinc/62/19/71/835621971.db2.gz NNBUQFCECDIDHL-INIZCTEOSA-N 2 0 345.484 -0.114 20 0 EBADRP CC(=O)NCCOCC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001198097906 835640429 /nfs/dbraw/zinc/64/04/29/835640429.db2.gz LJJREJUSGUZNFU-INIZCTEOSA-N 2 0 340.468 -0.375 20 0 EBADRP CC(C)COC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199094861 835761064 /nfs/dbraw/zinc/76/10/64/835761064.db2.gz AKIWWPRINAHSOR-ARFHVFGLSA-N 2 0 345.484 -0.479 20 0 EBADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(=O)NC(N)=O ZINC001199827012 835866444 /nfs/dbraw/zinc/86/64/44/835866444.db2.gz QTIPLMWWSILBJP-PWSUYJOCSA-N 2 0 325.413 -0.755 20 0 EBADRP CCOCCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001199826190 835866565 /nfs/dbraw/zinc/86/65/65/835866565.db2.gz IDIRATIAJSRSFN-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C(=O)NC(N)=O ZINC001199827014 835867146 /nfs/dbraw/zinc/86/71/46/835867146.db2.gz QTIPLMWWSILBJP-ZYHUDNBSSA-N 2 0 325.413 -0.755 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001200114947 835910934 /nfs/dbraw/zinc/91/09/34/835910934.db2.gz HWELGMRGKKPBAL-HUUCEWRRSA-N 2 0 338.452 -0.480 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001200116261 835911013 /nfs/dbraw/zinc/91/10/13/835911013.db2.gz VGXCSJTVBLFPQU-ZIAGYGMSSA-N 2 0 347.481 -0.668 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CCNS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC001200637046 836000809 /nfs/dbraw/zinc/00/08/09/836000809.db2.gz PLHPJBZCTYFIIV-TZMCWYRMSA-N 2 0 346.497 -0.544 20 0 EBADRP C[C@H]([NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCCO1)C(N)=O ZINC001200687899 836016283 /nfs/dbraw/zinc/01/62/83/836016283.db2.gz HUAWFYPCQITQOQ-STQMWFEESA-N 2 0 326.441 -0.448 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCCO1 ZINC001200688658 836016429 /nfs/dbraw/zinc/01/64/29/836016429.db2.gz SXVLTWLSYPUZIY-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001200850172 836045667 /nfs/dbraw/zinc/04/56/67/836045667.db2.gz FDXBFAZZDATPCW-ZDUSSCGKSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH+](C)C1(C(=O)N2CCC([NH2+]CCNS(C)(=O)=O)CC2)CCC1 ZINC001201038177 836083235 /nfs/dbraw/zinc/08/32/35/836083235.db2.gz UHIIQZCHHLSWPG-UHFFFAOYSA-N 2 0 346.497 -0.400 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1)C1CC1 ZINC001201052936 836085510 /nfs/dbraw/zinc/08/55/10/836085510.db2.gz IJMWBDRGVXYBRP-CYBMUJFWSA-N 2 0 325.413 -0.898 20 0 EBADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001201053873 836085749 /nfs/dbraw/zinc/08/57/49/836085749.db2.gz ZVKJZEUIPMOVIX-ZWNOBZJWSA-N 2 0 339.440 -0.509 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCC([NH2+][C@@H](C)C(=O)NC(N)=O)CC1)[NH+](C)C ZINC001201150114 836103071 /nfs/dbraw/zinc/10/30/71/836103071.db2.gz XFDMJPVWKLEGMH-AAEUAGOBSA-N 2 0 341.456 -0.263 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001201240525 836116705 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ZINC001201677779 836174740 /nfs/dbraw/zinc/17/47/40/836174740.db2.gz DDKJZYQNVRBMOA-HNNXBMFYSA-N 2 0 331.457 -0.456 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCCO[C@H](C[NH2+]C[C@H](O)COC)C1 ZINC001201808617 836194648 /nfs/dbraw/zinc/19/46/48/836194648.db2.gz DVTNGBHDQPNMAW-LSDHHAIUSA-N 2 0 331.457 -0.457 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001201808971 836195894 /nfs/dbraw/zinc/19/58/94/836195894.db2.gz IUGVAMJHNLSXOJ-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)CCCO1)C(N)=O ZINC001201809223 836196269 /nfs/dbraw/zinc/19/62/69/836196269.db2.gz LAKGUHNQAQPOCC-ZIAGYGMSSA-N 2 0 328.457 -0.201 20 0 EBADRP O=C(N1CCCO[C@H](C[NH2+]CCOCCO)C1)C12CC[NH+](CC1)C2 ZINC001201870846 836209064 /nfs/dbraw/zinc/20/90/64/836209064.db2.gz CFAWTXGQZOANFM-OAHLLOKOSA-N 2 0 341.452 -0.702 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCCO[C@H](C[NH2+][C@@H](CC)C(N)=O)C1 ZINC001201931986 836217560 /nfs/dbraw/zinc/21/75/60/836217560.db2.gz QBFTXAQZISUIDQ-KGLIPLIRSA-N 2 0 328.457 -0.201 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCCO[C@@H](C[NH2+]CCOCCO)C1 ZINC001201931452 836218014 /nfs/dbraw/zinc/21/80/14/836218014.db2.gz KBGFLGYHXNITJQ-HNNXBMFYSA-N 2 0 331.457 -0.456 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202048558 836240929 /nfs/dbraw/zinc/24/09/29/836240929.db2.gz BJGRPVNZVBDEQP-AWEZNQCLSA-N 2 0 326.441 -0.575 20 0 EBADRP COCC[NH2+]C[C@H]1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)CCCO1 ZINC001202069091 836248107 /nfs/dbraw/zinc/24/81/07/836248107.db2.gz LKILKCZQXIOCNJ-CVEARBPZSA-N 2 0 343.468 -0.192 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCC([NH2+]CC(=O)N2CCOCC2)CC1 ZINC001202216745 836277144 /nfs/dbraw/zinc/27/71/44/836277144.db2.gz BBNHGMYYSNBWNN-UHFFFAOYSA-N 2 0 340.468 -0.232 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001202301228 836290854 /nfs/dbraw/zinc/29/08/54/836290854.db2.gz DLESNUNFJSBGAG-UHFFFAOYSA-N 2 0 339.440 -0.636 20 0 EBADRP CC(=O)NCCOCC[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202331394 836291753 /nfs/dbraw/zinc/29/17/53/836291753.db2.gz QNXOPDQTBMQAIM-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC([NH2+]CC(=O)NC[C@@H]2CCOC2)CC1 ZINC001202330500 836291985 /nfs/dbraw/zinc/29/19/85/836291985.db2.gz HHOQYGONNUDIOV-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@H+](CC(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1)CC(C)(C)C ZINC001202526447 836311126 /nfs/dbraw/zinc/31/11/26/836311126.db2.gz ICCQAKWKEBFIHK-UHFFFAOYSA-N 2 0 341.456 -0.260 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]CCS(C)(=O)=O)CC2)C1 ZINC001203337754 836421997 /nfs/dbraw/zinc/42/19/97/836421997.db2.gz SMTZEBRJBSMAHG-ZDUSSCGKSA-N 2 0 331.482 -0.047 20 0 EBADRP C[C@@H]([NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1)c1nnnn1C ZINC001203349423 836424861 /nfs/dbraw/zinc/42/48/61/836424861.db2.gz OGQZMHKLIXVKKK-GFCCVEGCSA-N 2 0 339.444 -0.570 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC([NH2+]CC(=O)N2CCOCC2)CC1 ZINC001203455591 836433579 /nfs/dbraw/zinc/43/35/79/836433579.db2.gz GXZPPONZFIBFGR-UHFFFAOYSA-N 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CC(=O)NCCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001206585846 836658083 /nfs/dbraw/zinc/65/80/83/836658083.db2.gz FXXVCZCLAKTQEB-BMFZPTHFSA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC001206873515 836686393 /nfs/dbraw/zinc/68/63/93/836686393.db2.gz ADSAEZDCXMWAEJ-UHFFFAOYSA-N 2 0 325.413 -0.024 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]CCS(C)(=O)=O)CC2)C1 ZINC001206927737 836714324 /nfs/dbraw/zinc/71/43/24/836714324.db2.gz NJQPBWYNPJVCOQ-AWEZNQCLSA-N 2 0 331.482 -0.189 20 0 EBADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207568223 836822366 /nfs/dbraw/zinc/82/23/66/836822366.db2.gz WGFASBZIFKOILO-UKRRQHHQSA-N 2 0 337.468 -0.068 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001207685166 836846133 /nfs/dbraw/zinc/84/61/33/836846133.db2.gz YCSKUNMBUWCWHA-HOTGVXAUSA-N 2 0 340.468 -0.186 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001207688736 836846160 /nfs/dbraw/zinc/84/61/60/836846160.db2.gz RYQYGSPCZAEFIQ-RYUDHWBXSA-N 2 0 325.413 -0.883 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1)C(=O)NC(N)=O ZINC001208330596 836997393 /nfs/dbraw/zinc/99/73/93/836997393.db2.gz ALEILBPQDFZZRG-NEPJUHHUSA-N 2 0 339.440 -0.365 20 0 EBADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CCC1 ZINC001208328566 836997573 /nfs/dbraw/zinc/99/75/73/836997573.db2.gz FUGRGGWSRWPLRH-LLVKDONJSA-N 2 0 325.413 -0.754 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1)C(=O)NC(N)=O ZINC001208330597 836998100 /nfs/dbraw/zinc/99/81/00/836998100.db2.gz ALEILBPQDFZZRG-NWDGAFQWSA-N 2 0 339.440 -0.365 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001208414797 837026488 /nfs/dbraw/zinc/02/64/88/837026488.db2.gz YBWKNLILQPRCON-VXGBXAGGSA-N 2 0 327.429 -0.637 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001208447994 837041849 /nfs/dbraw/zinc/04/18/49/837041849.db2.gz SWTBIVJVSNBJQW-ZDUSSCGKSA-N 2 0 348.513 -0.154 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001209303451 837153949 /nfs/dbraw/zinc/15/39/49/837153949.db2.gz JXPWMHFTAXASCM-OLZOCXBDSA-N 2 0 336.436 -0.286 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001209314920 837156047 /nfs/dbraw/zinc/15/60/47/837156047.db2.gz MPDFPIMZFNEJEF-VXGBXAGGSA-N 2 0 327.429 -0.508 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001209455610 837167624 /nfs/dbraw/zinc/16/76/24/837167624.db2.gz VTPMZFBWJXNJEQ-KBPBESRZSA-N 2 0 331.482 -0.047 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209445687 837167895 /nfs/dbraw/zinc/16/78/95/837167895.db2.gz ODZMSVPVIAFNTG-ZDUSSCGKSA-N 2 0 341.456 -0.246 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001209455613 837168270 /nfs/dbraw/zinc/16/82/70/837168270.db2.gz VTPMZFBWJXNJEQ-UONOGXRCSA-N 2 0 331.482 -0.047 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+][C@H]2CCCN(C(=O)CC[NH+](C)C)C2)CCO1 ZINC001209456217 837169969 /nfs/dbraw/zinc/16/99/69/837169969.db2.gz YEXYOZLXEVDVOU-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001209633158 837183273 /nfs/dbraw/zinc/18/32/73/837183273.db2.gz SEJJAEISHWZVRJ-OLZOCXBDSA-N 2 0 339.440 -0.493 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001209632922 837184042 /nfs/dbraw/zinc/18/40/42/837184042.db2.gz PBLGPNNASBFCGS-RYUDHWBXSA-N 2 0 325.413 -0.754 20 0 EBADRP C[C@@H](COCC(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1)[NH+]1CCCC1 ZINC001209714667 837193667 /nfs/dbraw/zinc/19/36/67/837193667.db2.gz ADERBVTWNGYOHY-UONOGXRCSA-N 2 0 326.441 -0.447 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001210061043 837231633 /nfs/dbraw/zinc/23/16/33/837231633.db2.gz MXBWWVFYWLCFHW-CQSZACIVSA-N 2 0 336.440 -0.615 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH2+]CCNS(=O)(=O)CC)C1 ZINC001210217827 837256634 /nfs/dbraw/zinc/25/66/34/837256634.db2.gz MLHDRGMAYMUZNT-AWEZNQCLSA-N 2 0 348.513 -0.152 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001210217275 837257039 /nfs/dbraw/zinc/25/70/39/837257039.db2.gz GBXCGYONQBFQAT-ZDUSSCGKSA-N 2 0 341.456 -0.246 20 0 EBADRP COC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001210338528 837272941 /nfs/dbraw/zinc/27/29/41/837272941.db2.gz FDIIJEZGETXNBW-HUUCEWRRSA-N 2 0 343.468 -0.315 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001210493020 837290794 /nfs/dbraw/zinc/29/07/94/837290794.db2.gz HOYIWTSGBYEJIT-STQMWFEESA-N 2 0 341.456 -0.247 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210673882 837315176 /nfs/dbraw/zinc/31/51/76/837315176.db2.gz IZJJIRGHTUFSQH-STQMWFEESA-N 2 0 339.440 -0.636 20 0 EBADRP CN(C(=O)C[NH2+][C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1)C1CC1 ZINC001210669460 837315207 /nfs/dbraw/zinc/31/52/07/837315207.db2.gz XSCZNUKMDKEOOC-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP CCCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210685085 837320019 /nfs/dbraw/zinc/32/00/19/837320019.db2.gz MTYJQEWEURFWCU-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211064750 837378576 /nfs/dbraw/zinc/37/85/76/837378576.db2.gz QLFMPIVABLNWLA-CHWSQXEVSA-N 2 0 339.440 -0.636 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]CCCS(C)(=O)=O)C2)C1 ZINC001211071101 837379146 /nfs/dbraw/zinc/37/91/46/837379146.db2.gz GSOYLYFMEOOZBC-KGLIPLIRSA-N 2 0 331.482 -0.047 20 0 EBADRP CO[C@@H]1C[N@H+](CCOC2CCC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213730650 837853930 /nfs/dbraw/zinc/85/39/30/837853930.db2.gz UIRLXSBKLQNAGQ-HZPDHXFCSA-N 2 0 343.468 -0.051 20 0 EBADRP Cc1noc(CCC[NH2+]C[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001320295461 838748190 /nfs/dbraw/zinc/74/81/90/838748190.db2.gz JTPAPHIKUDWXDU-ZDUSSCGKSA-N 2 0 337.424 -0.527 20 0 EBADRP Cc1cc(C)n(CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001320294650 838748305 /nfs/dbraw/zinc/74/83/05/838748305.db2.gz DQTDHIDCNFXPAH-JKSUJKDBSA-N 2 0 337.468 -0.092 20 0 EBADRP C[C@@H](CC[NH2+]CCN(C)S(C)(=O)=O)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001320371929 838762899 /nfs/dbraw/zinc/76/28/99/838762899.db2.gz NECNRJNLKBLSAV-STQMWFEESA-N 2 0 334.486 -0.544 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001320998977 838879043 /nfs/dbraw/zinc/87/90/43/838879043.db2.gz RVAMRQKWQNQGTA-IBUXWKBASA-N 2 0 337.424 -0.669 20 0 EBADRP CC[C@@H](C(=O)NC/C=C/C[NH2+]CC(=O)N1CCO[C@@H](C)C1)[NH+](C)C ZINC001321251674 838943978 /nfs/dbraw/zinc/94/39/78/838943978.db2.gz LPIDSXMODIOZJM-KXLSMFKISA-N 2 0 340.468 -0.164 20 0 EBADRP C[C@@H](C[NH2+]CCN1CCCS1(=O)=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001321850384 839086564 /nfs/dbraw/zinc/08/65/64/839086564.db2.gz XWLBYLBMIDNSEJ-BFHYXJOUSA-N 2 0 346.497 -0.544 20 0 EBADRP CN(CCC[NH2+]CC(=O)Nc1cnccn1)C(=O)C[NH+]1CCCC1 ZINC001322836660 839281839 /nfs/dbraw/zinc/28/18/39/839281839.db2.gz SDHGNPAGDRYDNH-UHFFFAOYSA-N 2 0 334.424 -0.051 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001323247202 839389033 /nfs/dbraw/zinc/38/90/33/839389033.db2.gz RGJPKPJVRYOAAU-KKUMJFAQSA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001323399899 839431904 /nfs/dbraw/zinc/43/19/04/839431904.db2.gz LAPFQHMPRFPRFB-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@]3(CC[NH+](CCOCCO)C3)C2)C1 ZINC001323871680 839548639 /nfs/dbraw/zinc/54/86/39/839548639.db2.gz FBPIIDXIPDPITN-RDJZCZTQSA-N 2 0 325.453 -0.129 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](CCO)C1 ZINC001325201755 839817518 /nfs/dbraw/zinc/81/75/18/839817518.db2.gz QMHUHSWGOAYYNU-OAHLLOKOSA-N 2 0 342.484 -0.441 20 0 EBADRP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001325393019 839858643 /nfs/dbraw/zinc/85/86/43/839858643.db2.gz KKIPVCKNSWUZNF-BFHYXJOUSA-N 2 0 326.441 -0.448 20 0 EBADRP COc1ccnc(C[NH2+]CCN(CCO)C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001326148180 840048999 /nfs/dbraw/zinc/04/89/99/840048999.db2.gz ZDEGTYLWYKYYQD-AWEZNQCLSA-N 2 0 336.436 -0.048 20 0 EBADRP COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC001326276430 840078729 /nfs/dbraw/zinc/07/87/29/840078729.db2.gz AMHJXIJCSKPDHN-UONOGXRCSA-N 2 0 326.441 -0.719 20 0 EBADRP C[NH+]1CCN(CCCNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC001326371495 840093429 /nfs/dbraw/zinc/09/34/29/840093429.db2.gz KWJNRRYGMYGGDL-AWEZNQCLSA-N 2 0 335.456 -0.430 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC001326601426 840146630 /nfs/dbraw/zinc/14/66/30/840146630.db2.gz KWTJBEMOVJRQIW-ZQIUZPCESA-N 2 0 338.452 -0.589 20 0 EBADRP CON(C)C(=O)[C@H](CCSC)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001326598494 840146642 /nfs/dbraw/zinc/14/66/42/840146642.db2.gz FTZVULIXWZOGQC-KBPBESRZSA-N 2 0 348.513 -0.674 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC001327508623 840439227 /nfs/dbraw/zinc/43/92/27/840439227.db2.gz CHFGTEMISROWNX-AWEZNQCLSA-N 2 0 327.473 -0.756 20 0 EBADRP COCC[NH2+][C@]1(CO)CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001327603120 840470630 /nfs/dbraw/zinc/47/06/30/840470630.db2.gz KWHCTYLXWMAETH-QGZVFWFLSA-N 2 0 343.468 -0.313 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001327619936 840474939 /nfs/dbraw/zinc/47/49/39/840474939.db2.gz BHSSDVCDBLSTNN-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP C[NH+](C)CCC(=O)NC1(C[NH2+]CCS(C)(=O)=O)CCOCC1 ZINC001327657191 840487250 /nfs/dbraw/zinc/48/72/50/840487250.db2.gz YVWGWWYNJSKBON-UHFFFAOYSA-N 2 0 335.470 -0.762 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001327922186 840549120 /nfs/dbraw/zinc/54/91/20/840549120.db2.gz CLCDUHDBZSQDFW-UONOGXRCSA-N 2 0 338.452 -0.086 20 0 EBADRP C[C@@H]([NH2+]CCN1C(=O)CNC1=O)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001329051511 840826427 /nfs/dbraw/zinc/82/64/27/840826427.db2.gz CBGNSXVQJHYIOJ-NEPJUHHUSA-N 2 0 339.440 -0.495 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001329070879 840832782 /nfs/dbraw/zinc/83/27/82/840832782.db2.gz ULRZBBLNTPHYFV-UHFFFAOYSA-N 2 0 339.484 -0.532 20 0 EBADRP Cc1noc(CN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC001329131901 840850555 /nfs/dbraw/zinc/85/05/55/840850555.db2.gz BDBRHNLAVDVVMV-UHFFFAOYSA-N 2 0 340.428 -0.712 20 0 EBADRP CN(C(=O)[C@H]1CN(C)CCO1)C1CCC([NH2+]CCOCCO)CC1 ZINC001329229643 840879320 /nfs/dbraw/zinc/87/93/20/840879320.db2.gz LXZWHBUZJCROJT-UYSNPLJNSA-N 2 0 343.468 -0.315 20 0 EBADRP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cn2)CC1 ZINC001329506603 840942676 /nfs/dbraw/zinc/94/26/76/840942676.db2.gz AQWNKMBQSSHSFN-BETUJISGSA-N 2 0 346.435 -0.234 20 0 EBADRP COC(=O)C1CC[NH+](CCCNC(=O)c2cn(CC[NH3+])nn2)CC1 ZINC001329923951 841062541 /nfs/dbraw/zinc/06/25/41/841062541.db2.gz LZBGBPBJFBOZPF-UHFFFAOYSA-N 2 0 338.412 -0.758 20 0 EBADRP CN(C(=O)[C@@H](N)CC[NH+](C)C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001329937471 841067824 /nfs/dbraw/zinc/06/78/24/841067824.db2.gz OMGDPLLFCKMRKM-CVEARBPZSA-N 2 0 325.501 -0.108 20 0 EBADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001330054123 841104004 /nfs/dbraw/zinc/10/40/04/841104004.db2.gz YTOAKUBOSWUJFS-OLZOCXBDSA-N 2 0 326.441 -0.591 20 0 EBADRP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001330528192 841228783 /nfs/dbraw/zinc/22/87/83/841228783.db2.gz KEBPEBZGAMSRAA-ZFWWWQNUSA-N 2 0 338.452 -0.528 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001330709654 841261519 /nfs/dbraw/zinc/26/15/19/841261519.db2.gz YIUHJCGDNMRGQJ-HDJSIYSDSA-N 2 0 325.457 -0.164 20 0 EBADRP C[C@H](CCC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001330955841 841302130 /nfs/dbraw/zinc/30/21/30/841302130.db2.gz URZBNPIOBMTJSQ-OLZOCXBDSA-N 2 0 338.456 -0.175 20 0 EBADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC[NH3+] ZINC001331155498 841358127 /nfs/dbraw/zinc/35/81/27/841358127.db2.gz PDZJLBDGIOTTRM-KRWDZBQOSA-N 2 0 334.420 -0.843 20 0 EBADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@H](C[NH2+]CCN1CCNC1=O)C1CC1 ZINC001331346214 841395014 /nfs/dbraw/zinc/39/50/14/841395014.db2.gz JIXJJTBPIZSJFW-OAHLLOKOSA-N 2 0 349.479 -0.066 20 0 EBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC001331736882 841476264 /nfs/dbraw/zinc/47/62/64/841476264.db2.gz APWCCUYQCXIXOX-AWEZNQCLSA-N 2 0 327.473 -0.674 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC001332092880 841569838 /nfs/dbraw/zinc/56/98/38/841569838.db2.gz GRGLYIBRZCKIMN-OAHLLOKOSA-N 2 0 349.483 -0.040 20 0 EBADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001332115880 841576973 /nfs/dbraw/zinc/57/69/73/841576973.db2.gz ISPFEKHGEPSENH-CYBMUJFWSA-N 2 0 325.457 -0.970 20 0 EBADRP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CCN1C ZINC001332446513 841643522 /nfs/dbraw/zinc/64/35/22/841643522.db2.gz LAYHLBMIQJEUMF-CJNGLKHVSA-N 2 0 326.441 -0.903 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCn1cncn1 ZINC001332502324 841654920 /nfs/dbraw/zinc/65/49/20/841654920.db2.gz BLBKOJAYYGYPRD-LSDHHAIUSA-N 2 0 338.456 -0.440 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)C[NH2+]CCN2CCCC2=O)C1 ZINC001332566222 841672372 /nfs/dbraw/zinc/67/23/72/841672372.db2.gz MPLRRGRQQJWISD-LSDHHAIUSA-N 2 0 340.468 -0.641 20 0 EBADRP CCn1cc(CC[NH2+]C[C@H](O)CN(C)C(=O)C23CC[NH+](CC2)C3)cn1 ZINC001332591616 841681081 /nfs/dbraw/zinc/68/10/81/841681081.db2.gz KGKFMFXWSFPVQF-INIZCTEOSA-N 2 0 349.479 -0.050 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCn1cncn1 ZINC001332608928 841688131 /nfs/dbraw/zinc/68/81/31/841688131.db2.gz ZIKFBTUTHGXEFZ-CABCVRRESA-N 2 0 338.456 -0.439 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@@H]1CC[NH+]1C ZINC001332764114 841730978 /nfs/dbraw/zinc/73/09/78/841730978.db2.gz NOPZHCKLSDJDOF-KBPBESRZSA-N 2 0 325.457 -0.068 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC001332866118 841754803 /nfs/dbraw/zinc/75/48/03/841754803.db2.gz OIGZXDVFJLIGKJ-STQMWFEESA-N 2 0 339.440 -0.589 20 0 EBADRP C[NH2+]CCOCCNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC001333353402 841856957 /nfs/dbraw/zinc/85/69/57/841856957.db2.gz UHKDXYSXTQLMBN-SECBINFHSA-N 2 0 332.355 -0.284 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001333403193 841867604 /nfs/dbraw/zinc/86/76/04/841867604.db2.gz BFNGQDCKJXRZMP-ZFWWWQNUSA-N 2 0 340.468 -0.010 20 0 EBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001333440686 841879465 /nfs/dbraw/zinc/87/94/65/841879465.db2.gz PNSXVQJZRGUWSQ-OKILXGFUSA-N 3 0 339.484 -0.676 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCC[C@H](C)[NH3+])C1 ZINC001333624408 841918432 /nfs/dbraw/zinc/91/84/32/841918432.db2.gz DZYDBEBVMWQIBB-KBPBESRZSA-N 2 0 328.457 -0.201 20 0 EBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001334018825 841984815 /nfs/dbraw/zinc/98/48/15/841984815.db2.gz IFGOUCWWHLNVQB-KBPBESRZSA-N 2 0 340.468 -0.322 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCC1)C[NH+](C)C ZINC001334035361 841986698 /nfs/dbraw/zinc/98/66/98/841986698.db2.gz UGDMGZUAELYPMJ-ZDUSSCGKSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)C[C@H]2C1 ZINC001334756935 842125466 /nfs/dbraw/zinc/12/54/66/842125466.db2.gz FJRYFQFUIQAHDS-JKJDWNRSSA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@@H](CNC(=O)CN1C[C@@H]2CC[N@H+](C)[C@@H]2C1)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC001334927605 842150088 /nfs/dbraw/zinc/15/00/88/842150088.db2.gz WMANFIJXFCCEMN-NNPSNHGLSA-N 2 0 349.523 -0.237 20 0 EBADRP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC001335186222 842217581 /nfs/dbraw/zinc/21/75/81/842217581.db2.gz VKFQOQXGMUNUSH-QEJZJMRPSA-N 2 0 338.452 -0.401 20 0 EBADRP [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC001335214582 842227857 /nfs/dbraw/zinc/22/78/57/842227857.db2.gz AIPMABYEGZJGNP-UKRRQHHQSA-N 2 0 338.452 -0.447 20 0 EBADRP O=C(NCCCN1CC[NH2+]CC1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001335538388 842301371 /nfs/dbraw/zinc/30/13/71/842301371.db2.gz SVJJRMKNTJOQOK-HZPDHXFCSA-N 2 0 339.484 -0.478 20 0 EBADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCN1CCC([NH3+])CC1 ZINC001335623971 842318906 /nfs/dbraw/zinc/31/89/06/842318906.db2.gz ZOUVNBMWUVYURS-HNNXBMFYSA-N 2 0 340.516 -0.265 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC(O)CC2)C[C@H]1C[NH+](C)C ZINC001335637969 842321134 /nfs/dbraw/zinc/32/11/34/842321134.db2.gz CQJRTLUZAFOJKQ-ZIAGYGMSSA-N 2 0 340.468 -0.833 20 0 EBADRP CN1CCN(C(=O)NCCCCCN2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC001335647381 842325729 /nfs/dbraw/zinc/32/57/29/842325729.db2.gz XFXSFMHZCMVVNN-OAHLLOKOSA-N 2 0 326.489 -0.654 20 0 EBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)NCCOCCC[NH3+])C[C@@H]2C1 ZINC001335793782 842356075 /nfs/dbraw/zinc/35/60/75/842356075.db2.gz CLCQUPFLEFJJSM-QLFBSQMISA-N 2 0 340.468 -0.343 20 0 EBADRP C[N@@H+]1CCN(CC[NH2+]C[C@@H](O)CC2(O)CCOCC2)CC1(C)C ZINC001335844183 842363407 /nfs/dbraw/zinc/36/34/07/842363407.db2.gz OWXRITFNASGBHJ-HNNXBMFYSA-N 2 0 329.485 -0.106 20 0 EBADRP [NH3+]C1CCN(CCNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC001336573888 842497491 /nfs/dbraw/zinc/49/74/91/842497491.db2.gz SGPPBIIJRYIVOW-CYBMUJFWSA-N 2 0 337.468 -0.874 20 0 EBADRP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001340248245 842984451 /nfs/dbraw/zinc/98/44/51/842984451.db2.gz HYQQQPFJESKXLS-DOTOQJQBSA-N 3 0 349.479 -0.074 20 0 EBADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001345199401 843374533 /nfs/dbraw/zinc/37/45/33/843374533.db2.gz YFZUSTMFYLQQDV-MELADBBJSA-N 2 0 328.457 -0.284 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001347062090 843585306 /nfs/dbraw/zinc/58/53/06/843585306.db2.gz CJSOAFQXZBNBDP-UHFFFAOYSA-N 2 0 327.473 -0.674 20 0 EBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC001348321968 843682037 /nfs/dbraw/zinc/68/20/37/843682037.db2.gz SVYLMRZDUCDWJF-CYBMUJFWSA-N 2 0 333.436 -0.032 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNC(=O)[C@@H]1CN(C)CCO1 ZINC001348699452 843734550 /nfs/dbraw/zinc/73/45/50/843734550.db2.gz BZKKDQDMVQVEJR-KGLIPLIRSA-N 2 0 326.441 -0.578 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC2CC[NH+](C)CC2)cn1 ZINC001349534681 843915433 /nfs/dbraw/zinc/91/54/33/843915433.db2.gz SFYCIUKAQOFTQH-UHFFFAOYSA-N 2 0 336.440 -0.159 20 0 EBADRP CC(C)([NH3+])CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001350021384 843958901 /nfs/dbraw/zinc/95/89/01/843958901.db2.gz VGQUARLLJIYKOS-CYBMUJFWSA-N 2 0 340.468 -0.153 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1CCN1C(=O)CNC1=O ZINC001691113187 1125835203 /nfs/dbraw/zinc/83/52/03/1125835203.db2.gz PIUWIEUCNDMFIM-ZDUSSCGKSA-N 2 0 339.440 -0.541 20 0 EBADRP Cn1cncc1CCC(=O)NC[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC001691168338 1125839744 /nfs/dbraw/zinc/83/97/44/1125839744.db2.gz HNPMHHVIAZUMFO-GXTWGEPZSA-N 2 0 347.419 -0.404 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001691316727 1125849980 /nfs/dbraw/zinc/84/99/80/1125849980.db2.gz AHXGHQUBRPVQMG-LBPRGKRZSA-N 2 0 327.429 -0.637 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CCN2CCCS2(=O)=O)CC[N@@H+]1C ZINC001691324762 1125851105 /nfs/dbraw/zinc/85/11/05/1125851105.db2.gz UPCIOYQBEXDNCA-ZIAGYGMSSA-N 2 0 346.497 -0.590 20 0 EBADRP CCNC(=O)NC(=O)CN(C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001480908485 1125856203 /nfs/dbraw/zinc/85/62/03/1125856203.db2.gz WUKCCIOKNWNTBA-UHFFFAOYSA-N 2 0 327.429 -0.778 20 0 EBADRP C[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)CCO1 ZINC001481109584 1125923398 /nfs/dbraw/zinc/92/33/98/1125923398.db2.gz SJAGLMLULWHCJD-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP CN(CC[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001481215495 1125945118 /nfs/dbraw/zinc/94/51/18/1125945118.db2.gz JREBLYXXXVNOQJ-KGLIPLIRSA-N 2 0 348.451 -0.332 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC001481215212 1125945175 /nfs/dbraw/zinc/94/51/75/1125945175.db2.gz HCIKVWBVUJXJTF-ZIAGYGMSSA-N 2 0 326.441 -0.624 20 0 EBADRP CN(CC[NH2+]CC(=O)N1CCOCC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001481246983 1125952048 /nfs/dbraw/zinc/95/20/48/1125952048.db2.gz DVNSQTCJFGYZMQ-CQSZACIVSA-N 2 0 326.441 -0.623 20 0 EBADRP CN(CC[NH2+]CC(=O)NC(=O)NC(C)(C)C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481315046 1125971092 /nfs/dbraw/zinc/97/10/92/1125971092.db2.gz RGWVGDCHOQXCOW-GFCCVEGCSA-N 2 0 341.456 -0.390 20 0 EBADRP CC(C)[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NC(N)=O ZINC001481358292 1125978613 /nfs/dbraw/zinc/97/86/13/1125978613.db2.gz PZQBKZSEZPAOHB-LBPRGKRZSA-N 2 0 327.429 -0.650 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1CC[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001481458465 1125993961 /nfs/dbraw/zinc/99/39/61/1125993961.db2.gz WDANZEBVVUKRQW-QWHCGFSZSA-N 2 0 341.456 -0.260 20 0 EBADRP Cn1[nH]c(C[N@H+](C)CC2CCN(C(=O)CC[NH+](C)C)CC2)nc1=O ZINC001481517987 1126007097 /nfs/dbraw/zinc/00/70/97/1126007097.db2.gz CRRQZXPZCKLSBW-UHFFFAOYSA-N 2 0 338.456 -0.270 20 0 EBADRP CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001481880482 1126064198 /nfs/dbraw/zinc/06/41/98/1126064198.db2.gz FMMWJGWMSPLBPT-STQMWFEESA-N 2 0 341.456 -0.070 20 0 EBADRP CC[C@@H](C(=O)N[C@@](C)(C[NH2+]Cc1nc(=O)n(C)[nH]1)C1CC1)[NH+](C)C ZINC001481942549 1126068566 /nfs/dbraw/zinc/06/85/66/1126068566.db2.gz OZTHFBYRVIKEAT-LRDDRELGSA-N 2 0 338.456 -0.177 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C2CC2)nc1=O ZINC001481946490 1126068796 /nfs/dbraw/zinc/06/87/96/1126068796.db2.gz NBHMRQOUDWDPFS-INIZCTEOSA-N 2 0 348.451 -0.421 20 0 EBADRP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]C[C@H](O)Cn1cccn1 ZINC001482161436 1126089247 /nfs/dbraw/zinc/08/92/47/1126089247.db2.gz SAUKWXZKBLJGJT-CABCVRRESA-N 2 0 335.452 -0.318 20 0 EBADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]CC(=O)N1CCOCC1 ZINC001482137881 1126086395 /nfs/dbraw/zinc/08/63/95/1126086395.db2.gz GVZCGJYZCODLMR-CQSZACIVSA-N 2 0 340.468 -0.471 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CC(=O)NC(N)=O)CCCC2)C1 ZINC001482235763 1126109701 /nfs/dbraw/zinc/10/97/01/1126109701.db2.gz SBRCQCNJFCUDGC-GFCCVEGCSA-N 2 0 339.440 -0.458 20 0 EBADRP CCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)N1CCOCC1 ZINC001482354880 1126136985 /nfs/dbraw/zinc/13/69/85/1126136985.db2.gz ANZPHPUMEFWVKC-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP C[NH+](C)[C@H](CNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC001648966005 1126172793 /nfs/dbraw/zinc/17/27/93/1126172793.db2.gz BFLCQVDHPLNDDG-SYQHCUMBSA-N 2 0 329.466 -0.535 20 0 EBADRP C[N@H+](CCNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12)C1CCCC1 ZINC001648970947 1126186536 /nfs/dbraw/zinc/18/65/36/1126186536.db2.gz DPBGOMGPJVWQEG-VHDGCEQUSA-N 2 0 343.493 0.000 20 0 EBADRP CNC(=O)C[NH2+][C@@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)C(C)C ZINC001482537783 1126193994 /nfs/dbraw/zinc/19/39/94/1126193994.db2.gz OEEJJAXZIHJIOB-AWEZNQCLSA-N 2 0 342.484 -0.179 20 0 EBADRP Cc1nc(CNC[C@H](O)CNC(=O)[C@H]2CN(C)CCO2)cs1 ZINC001482719181 1126257652 /nfs/dbraw/zinc/25/76/52/1126257652.db2.gz UWBMDPLYPFBIBF-QWHCGFSZSA-N 2 0 328.438 -0.651 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC(C)(C)C ZINC001482742300 1126274228 /nfs/dbraw/zinc/27/42/28/1126274228.db2.gz PTWBXRVTBPNRDD-UONOGXRCSA-N 2 0 342.484 -0.300 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCN1CCCC1=O ZINC001482743464 1126274565 /nfs/dbraw/zinc/27/45/65/1126274565.db2.gz YWXMKVTYLBZBNN-KGLIPLIRSA-N 2 0 326.441 -0.840 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001482737150 1126271864 /nfs/dbraw/zinc/27/18/64/1126271864.db2.gz GMWSZVIRQVQUBU-CYBMUJFWSA-N 2 0 328.457 -0.596 20 0 EBADRP C[C@@H]1CCCCN1C(=O)C[NH2+]C[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001482764405 1126281335 /nfs/dbraw/zinc/28/13/35/1126281335.db2.gz PVXGSDKBBAWHJL-ZIAGYGMSSA-N 2 0 328.457 -0.594 20 0 EBADRP Cc1nc(C)n(CC[NH2+]C[C@@H](O)CNC(=O)C2CC[NH+](C)CC2)n1 ZINC001482765167 1126281707 /nfs/dbraw/zinc/28/17/07/1126281707.db2.gz GQABSFNWSYLKQY-OAHLLOKOSA-N 2 0 338.456 -0.697 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001482775114 1126285099 /nfs/dbraw/zinc/28/50/99/1126285099.db2.gz OGMOOCYXMKEDCI-CABCVRRESA-N 2 0 340.468 -0.452 20 0 EBADRP CC[C@@H](C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001482787880 1126291204 /nfs/dbraw/zinc/29/12/04/1126291204.db2.gz XJHOUTIARHCRAC-OLZOCXBDSA-N 2 0 326.441 -0.936 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NCCC(C)(C)C)C1 ZINC001482790834 1126292493 /nfs/dbraw/zinc/29/24/93/1126292493.db2.gz KMKANTBAWQISSZ-UONOGXRCSA-N 2 0 342.484 -0.443 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C1CC1 ZINC001482798686 1126294535 /nfs/dbraw/zinc/29/45/35/1126294535.db2.gz JIQGSKREEQZONI-HUUCEWRRSA-N 2 0 340.468 -0.452 20 0 EBADRP C[C@@H](CC[NH2+]Cc1ncnn1CCF)NC(=O)[C@@H]1CN(C)CCO1 ZINC001482822196 1126296305 /nfs/dbraw/zinc/29/63/05/1126296305.db2.gz UKVVVKOVVOMVAZ-STQMWFEESA-N 2 0 342.419 -0.437 20 0 EBADRP CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]CC(=O)N1CCOCC1)[NH+](C)C ZINC001482868532 1126299198 /nfs/dbraw/zinc/29/91/98/1126299198.db2.gz VIQKATLZTBOAAU-GOEBONIOSA-N 2 0 342.484 -0.084 20 0 EBADRP CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+](C)C ZINC001482867707 1126299219 /nfs/dbraw/zinc/29/92/19/1126299219.db2.gz LEUFQTFDZVMUHI-WCQYABFASA-N 2 0 326.445 -0.321 20 0 EBADRP C[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)NC(N)=O ZINC001483046034 1126321042 /nfs/dbraw/zinc/32/10/42/1126321042.db2.gz AVDDRYPOKHUITC-DFPOMNKCSA-N 2 0 325.413 -0.684 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NC/C=C/C[NH2+][C@@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001483049935 1126322916 /nfs/dbraw/zinc/32/29/16/1126322916.db2.gz CHYMYSYAVPFKMW-FYJZFVKYSA-N 2 0 336.436 -0.216 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NC/C=C/C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001483082517 1126330564 /nfs/dbraw/zinc/33/05/64/1126330564.db2.gz REPMWXWGDUUBRE-IBUXWKBASA-N 2 0 337.424 -0.858 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NC(=O)NC ZINC001483132961 1126342370 /nfs/dbraw/zinc/34/23/70/1126342370.db2.gz JVFYVSOXFHCWOR-VXGBXAGGSA-N 2 0 327.429 -0.589 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483159717 1126348724 /nfs/dbraw/zinc/34/87/24/1126348724.db2.gz JOVSIHPQMUIYID-OLZOCXBDSA-N 2 0 334.486 -0.496 20 0 EBADRP C[C@H](C[NH2+][C@H](C)C(=O)N(C)C)NC(=O)COC1CC[NH+](C)CC1 ZINC001483178853 1126350898 /nfs/dbraw/zinc/35/08/98/1126350898.db2.gz YBYGDEUPEAAFJS-CHWSQXEVSA-N 2 0 328.457 -0.332 20 0 EBADRP C[C@H](C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)NC(=O)C[NH+]1CCCC1 ZINC001483192940 1126352283 /nfs/dbraw/zinc/35/22/83/1126352283.db2.gz LJNQBXPHRTUAFG-ZIAGYGMSSA-N 2 0 346.497 -0.542 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[N@H+](C)CCN1CCNC1=O ZINC001409587833 1126380156 /nfs/dbraw/zinc/38/01/56/1126380156.db2.gz YFHMYBBWTDUCGR-ZFWWWQNUSA-N 2 0 337.468 -0.210 20 0 EBADRP CCCNC(=O)NC(=O)CN(C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001409683840 1126392090 /nfs/dbraw/zinc/39/20/90/1126392090.db2.gz OUHOLKQEXRYAMR-OLZOCXBDSA-N 2 0 341.456 -0.390 20 0 EBADRP C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001483240816 1126409408 /nfs/dbraw/zinc/40/94/08/1126409408.db2.gz UMXABBXYVLBIMB-KBPBESRZSA-N 2 0 342.484 -0.084 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001483274138 1126412839 /nfs/dbraw/zinc/41/28/39/1126412839.db2.gz NFXZWZFVZGGPHS-ZDUSSCGKSA-N 2 0 336.440 -0.615 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001483296185 1126415095 /nfs/dbraw/zinc/41/50/95/1126415095.db2.gz AFBHQRFNUWAXMZ-STQMWFEESA-N 2 0 341.456 -0.199 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H](C)CN(C)CC(=O)N1CCOCC1 ZINC001483410631 1126425279 /nfs/dbraw/zinc/42/52/79/1126425279.db2.gz YYWCIOZNJZDMBV-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP CN(CCC[NH2+]C[C@H](O)CN1CCCC1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483509113 1126432220 /nfs/dbraw/zinc/43/22/20/1126432220.db2.gz FPSAGBMWOARQNK-CABCVRRESA-N 2 0 340.468 -0.641 20 0 EBADRP CN(CCC[NH2+]CCN1CCCS1(=O)=O)C(=O)C[NH+]1CCCC1 ZINC001483509836 1126432404 /nfs/dbraw/zinc/43/24/04/1126432404.db2.gz PPVSHFGAZKQNFU-UHFFFAOYSA-N 2 0 346.497 -0.444 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCCS(C)(=O)=O)C1CC1 ZINC001483551387 1126433144 /nfs/dbraw/zinc/43/31/44/1126433144.db2.gz ZIMZFZXTVPJTQD-KGLIPLIRSA-N 2 0 331.482 0.000 20 0 EBADRP CC(C)NC(=O)NCCN1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001483703705 1126461676 /nfs/dbraw/zinc/46/16/76/1126461676.db2.gz YXJNNEBUEZOZST-CQSZACIVSA-N 2 0 325.457 -0.020 20 0 EBADRP CS(=O)(=O)NCC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001483748791 1126468820 /nfs/dbraw/zinc/46/88/20/1126468820.db2.gz ANSKYYXWMXQGAG-UHFFFAOYSA-N 2 0 344.481 -0.598 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001483941972 1126491606 /nfs/dbraw/zinc/49/16/06/1126491606.db2.gz BAJLOIZNNWQOBI-RYUDHWBXSA-N 2 0 327.429 -0.637 20 0 EBADRP C[N@H+](CC(=O)NC[C@]1(O)CC[NH+]([C@@H]2CCCNC2=O)C1)C1CCC1 ZINC001484222988 1126525490 /nfs/dbraw/zinc/52/54/90/1126525490.db2.gz JCBQTDHOAGIVOB-RHSMWYFYSA-N 2 0 338.452 -0.698 20 0 EBADRP CC1CC[NH+](CC(=O)NC[C@@]2(O)CC[N@H+](CCOCCO)C2)CC1 ZINC001484242037 1126538100 /nfs/dbraw/zinc/53/81/00/1126538100.db2.gz HIRLIHBFGQKAFC-KRWDZBQOSA-N 2 0 343.468 -0.720 20 0 EBADRP CCN1CCO[C@@H](C(=O)N(CCO)CCNCc2nccn2C)C1 ZINC001484500740 1126599285 /nfs/dbraw/zinc/59/92/85/1126599285.db2.gz BTQJXWBCOUNVSG-CQSZACIVSA-N 2 0 339.440 -0.949 20 0 EBADRP CN1CCO[C@H](C(=O)N2CC[C@H](CC[NH2+]CCOCCO)C2)C1 ZINC001484514750 1126600619 /nfs/dbraw/zinc/60/06/19/1126600619.db2.gz QHZREGGQMXXOSS-GJZGRUSLSA-N 2 0 329.441 -0.846 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CC[NH2+]CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001484520491 1126600962 /nfs/dbraw/zinc/60/09/62/1126600962.db2.gz HOHAGKPOHSGXCS-JHJVBQTASA-N 2 0 339.440 -0.650 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001484660925 1126615031 /nfs/dbraw/zinc/61/50/31/1126615031.db2.gz WAJBUTBFVBSEFI-LBPRGKRZSA-N 2 0 339.440 -0.588 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CC(=O)NCC)C1 ZINC001484678317 1126618904 /nfs/dbraw/zinc/61/89/04/1126618904.db2.gz KPENFQJJLOMABI-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CCO[C@@H](C[NH2+][C@@H]3CCCNC3=O)C2)CC1 ZINC001484686132 1126621734 /nfs/dbraw/zinc/62/17/34/1126621734.db2.gz PENBUHPDGCWQLR-UONOGXRCSA-N 2 0 338.452 -0.576 20 0 EBADRP C[C@@H]([NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1)C(N)=O ZINC001484700857 1126622726 /nfs/dbraw/zinc/62/27/26/1126622726.db2.gz UOUZOSOCZUVFGB-KGLIPLIRSA-N 2 0 326.441 -0.447 20 0 EBADRP NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001484727665 1126627026 /nfs/dbraw/zinc/62/70/26/1126627026.db2.gz FOWUIOOJXUHHHZ-GFCCVEGCSA-N 2 0 325.413 -0.752 20 0 EBADRP Cn1cnnc1C[NH2+]CC1(NC(=O)CCC[NH+](C)C)CCOCC1 ZINC001484867719 1126648703 /nfs/dbraw/zinc/64/87/03/1126648703.db2.gz OIJGTMDTCFOGEW-UHFFFAOYSA-N 2 0 338.456 -0.088 20 0 EBADRP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC001484893446 1126650905 /nfs/dbraw/zinc/65/09/05/1126650905.db2.gz BPBNNGAYZYZKAO-RYUDHWBXSA-N 2 0 339.440 -0.508 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001484908248 1126652619 /nfs/dbraw/zinc/65/26/19/1126652619.db2.gz YRJBJNFIFHSCHA-STQMWFEESA-N 2 0 339.440 -0.636 20 0 EBADRP CNC(=O)C[NH2+]CC1(O)CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001484961725 1126656469 /nfs/dbraw/zinc/65/64/69/1126656469.db2.gz KNOLUESRWJPMAX-UHFFFAOYSA-N 2 0 340.468 -0.593 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001484963242 1126656934 /nfs/dbraw/zinc/65/69/34/1126656934.db2.gz NCVBIJULBWKHCU-CYBMUJFWSA-N 2 0 326.441 -0.840 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(O)(C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001484953629 1126657975 /nfs/dbraw/zinc/65/79/75/1126657975.db2.gz WQODOZDGVGMQIV-UONOGXRCSA-N 2 0 340.468 -0.324 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCC(O)(C[NH2+]CC(=O)N2CCC2)CC1 ZINC001484958934 1126659149 /nfs/dbraw/zinc/65/91/49/1126659149.db2.gz BADSFYVFBACBRN-UHFFFAOYSA-N 2 0 340.468 -0.496 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC2CC(C[NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001485102866 1126673818 /nfs/dbraw/zinc/67/38/18/1126673818.db2.gz VKNGNHKBIOZEGF-HSBZDZAISA-N 2 0 346.497 -0.638 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)CCNS(C)(=O)=O)CC1 ZINC001485765945 1126828272 /nfs/dbraw/zinc/82/82/72/1126828272.db2.gz SLMJHBFYCQDBEB-UHFFFAOYSA-N 2 0 348.513 -0.200 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCOCCC[NH2+][C@@H]2CCNC2=O)CC[N@@H+]1C ZINC001485794526 1126838754 /nfs/dbraw/zinc/83/87/54/1126838754.db2.gz PPFXZGGCIQZRKD-MGPQQGTHSA-N 2 0 326.441 -0.672 20 0 EBADRP COC[C@@H](O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001485833937 1126888903 /nfs/dbraw/zinc/88/89/03/1126888903.db2.gz XNFMHENEDYKKHS-GJZGRUSLSA-N 2 0 325.453 -0.084 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001485854814 1126897334 /nfs/dbraw/zinc/89/73/34/1126897334.db2.gz HJQHHPJFUDNSTB-RYUDHWBXSA-N 2 0 327.429 -0.637 20 0 EBADRP C[C@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+]CC(=O)N1CCOCC1 ZINC001485881250 1126905032 /nfs/dbraw/zinc/90/50/32/1126905032.db2.gz DORKIOVXSPOYRR-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCCN1C(=O)CNC1=O ZINC001485956297 1126921847 /nfs/dbraw/zinc/92/18/47/1126921847.db2.gz VCFLHHUDXZWFOW-OLZOCXBDSA-N 2 0 339.440 -0.684 20 0 EBADRP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC(=O)Nc1cnccn1 ZINC001485956623 1126923362 /nfs/dbraw/zinc/92/33/62/1126923362.db2.gz YWRRICMKCYQGDZ-CYBMUJFWSA-N 2 0 334.424 -0.053 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCCC1 ZINC001486005875 1126980145 /nfs/dbraw/zinc/98/01/45/1126980145.db2.gz ZTYUQPRBHXBMOM-CABCVRRESA-N 2 0 340.468 -0.450 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCCC1 ZINC001486005877 1126980467 /nfs/dbraw/zinc/98/04/67/1126980467.db2.gz ZTYUQPRBHXBMOM-HUUCEWRRSA-N 2 0 340.468 -0.450 20 0 EBADRP CCCNC(=O)C[NH2+][C@H](CO)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001486011666 1126986887 /nfs/dbraw/zinc/98/68/87/1126986887.db2.gz WGPQOYJMNJMLSE-ZDUSSCGKSA-N 2 0 347.419 -0.151 20 0 EBADRP CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001486047915 1126995718 /nfs/dbraw/zinc/99/57/18/1126995718.db2.gz FGMBYCLRPHZSHJ-CQSZACIVSA-N 2 0 328.457 -0.690 20 0 EBADRP CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001486048351 1126996389 /nfs/dbraw/zinc/99/63/89/1126996389.db2.gz LFLOPHMQMLGPGU-HNNXBMFYSA-N 2 0 342.484 -0.348 20 0 EBADRP CCC(C)(C)NC(=O)C[NH2+][C@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001486030744 1127000927 /nfs/dbraw/zinc/00/09/27/1127000927.db2.gz LZCXNDAZDKPNFW-AWEZNQCLSA-N 2 0 342.484 -0.300 20 0 EBADRP NC(=O)c1cccc(C[NH2+][C@@H](CO)CNC(=O)C[NH+]2CCCC2)c1 ZINC001486061404 1127011262 /nfs/dbraw/zinc/01/12/62/1127011262.db2.gz MOIZFPWVQALROL-OAHLLOKOSA-N 2 0 334.420 -0.552 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H]1C ZINC001486093761 1127031547 /nfs/dbraw/zinc/03/15/47/1127031547.db2.gz ZVZZSAFCFNOSKR-VXGBXAGGSA-N 2 0 327.429 -0.508 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001486133365 1127044152 /nfs/dbraw/zinc/04/41/52/1127044152.db2.gz BJXVPNDPNLUHDT-STQMWFEESA-N 2 0 341.456 -0.249 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CC(=O)N(C)C1CC1)C(=O)C1([NH+](C)C)CCC1 ZINC001486280996 1127077354 /nfs/dbraw/zinc/07/73/54/1127077354.db2.gz LHKWMPTWGIUUAH-AWEZNQCLSA-N 2 0 340.468 -0.500 20 0 EBADRP CN(C[C@H](O)C[NH2+]CCn1cncn1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001486293495 1127101705 /nfs/dbraw/zinc/10/17/05/1127101705.db2.gz XCHMDMCMXITJMI-CQSZACIVSA-N 2 0 338.456 -0.439 20 0 EBADRP CN(C[C@H](O)C[NH2+]CC(=O)NC(C)(C)C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001486309907 1127114262 /nfs/dbraw/zinc/11/42/62/1127114262.db2.gz MWXNKPVLXRXWFL-ZIAGYGMSSA-N 2 0 342.484 -0.348 20 0 EBADRP CN(C[C@@H](O)C[N@H+](C)C[C@H]1CCOC1)C(=O)C12CC[NH+](CC1)C2 ZINC001486356504 1127150268 /nfs/dbraw/zinc/15/02/68/1127150268.db2.gz QMFDABOSDAWNBS-CABCVRRESA-N 2 0 325.453 -0.130 20 0 EBADRP CN(C[C@H](O)C[N@H+](C)C[C@H]1CCOC1)C(=O)C12CC[NH+](CC1)C2 ZINC001486356506 1127150610 /nfs/dbraw/zinc/15/06/10/1127150610.db2.gz QMFDABOSDAWNBS-HUUCEWRRSA-N 2 0 325.453 -0.130 20 0 EBADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001486450726 1127177015 /nfs/dbraw/zinc/17/70/15/1127177015.db2.gz NZOHRVQFNYBFRX-WCQYABFASA-N 2 0 339.440 -0.650 20 0 EBADRP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001486475364 1127182578 /nfs/dbraw/zinc/18/25/78/1127182578.db2.gz KQHQUQUMNZZBNR-IYXRBSQSSA-N 2 0 331.482 -0.048 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CCOCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001486494809 1127188428 /nfs/dbraw/zinc/18/84/28/1127188428.db2.gz YNYUIEDAGLOLMR-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNC(=O)CCC[NH+](C)C)CC[N@@H+]1C ZINC001410118195 1127582407 /nfs/dbraw/zinc/58/24/07/1127582407.db2.gz FFNBFLPQEOKRLF-HZSPNIEDSA-N 2 0 328.457 -0.738 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H](O)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001410126743 1127591596 /nfs/dbraw/zinc/59/15/96/1127591596.db2.gz LYCLVSWFYXSPJT-HNNXBMFYSA-N 2 0 342.484 -0.348 20 0 EBADRP C[C@H]([NH2+]CC(=O)N1CCC1)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001410164668 1127623428 /nfs/dbraw/zinc/62/34/28/1127623428.db2.gz PFWWILPQXVBVKO-KBPBESRZSA-N 2 0 326.441 -0.624 20 0 EBADRP CCNC(=O)C[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001410151347 1127629674 /nfs/dbraw/zinc/62/96/74/1127629674.db2.gz LBTXLDYWVOCXTR-HIFRSBDPSA-N 2 0 340.468 -0.188 20 0 EBADRP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N2CCOCC2)C1)[NH+](C)C ZINC001410218935 1127645909 /nfs/dbraw/zinc/64/59/09/1127645909.db2.gz HSBIWVKFHRRYOF-KKUMJFAQSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]C[C@@H](O)Cn1cccn1 ZINC001410477879 1127725717 /nfs/dbraw/zinc/72/57/17/1127725717.db2.gz BSFQVOXBQSPGIV-HUUCEWRRSA-N 2 0 335.452 -0.224 20 0 EBADRP C[C@H](CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CC(=O)N(C)C ZINC001410519690 1127733663 /nfs/dbraw/zinc/73/36/63/1127733663.db2.gz ZOARVKJPMKSKDW-UONOGXRCSA-N 2 0 328.457 -0.521 20 0 EBADRP CC(C)NC(=O)CN[C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001410628496 1127780177 /nfs/dbraw/zinc/78/01/77/1127780177.db2.gz RBZAUGBJCOATSV-UONOGXRCSA-N 2 0 328.457 -0.550 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)N(C)C2CC2)CC[N@@H+]1C ZINC001411072301 1128001629 /nfs/dbraw/zinc/00/16/29/1128001629.db2.gz VBKXCHHUGUMJGR-VHDGCEQUSA-N 2 0 340.468 -0.644 20 0 EBADRP CN(C[C@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)C12CCC[NH+](CCC1)C2 ZINC001411082651 1128007534 /nfs/dbraw/zinc/00/75/34/1128007534.db2.gz PJSAVZAFAFHFEB-ZIAGYGMSSA-N 2 0 338.452 -0.840 20 0 EBADRP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CCN1CCNC1=O ZINC001411106767 1128017971 /nfs/dbraw/zinc/01/79/71/1128017971.db2.gz SSUQBOCMORFFEH-KBPBESRZSA-N 2 0 325.457 -0.068 20 0 EBADRP CN(C[C@H](O)C[NH2+]Cc1cnnn1C)C(=O)CC[NH+]1CCCCC1 ZINC001411128671 1128023011 /nfs/dbraw/zinc/02/30/11/1128023011.db2.gz PZXPKSHTWVHGAI-OAHLLOKOSA-N 2 0 338.456 -0.400 20 0 EBADRP CN(C[C@@H](O)C[N@H+](C)[C@H]1CCNC1=O)C(=O)CC[NH+]1CCCCC1 ZINC001411187432 1128084983 /nfs/dbraw/zinc/08/49/83/1128084983.db2.gz LVKNXPQJOSTADL-GJZGRUSLSA-N 2 0 340.468 -0.498 20 0 EBADRP CN(C[C@H](O)C[N@H+](C)[C@@H]1CCNC1=O)C(=O)CC[NH+]1CCCCC1 ZINC001411187433 1128085518 /nfs/dbraw/zinc/08/55/18/1128085518.db2.gz LVKNXPQJOSTADL-HUUCEWRRSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH2+]CCN(CCNC(=O)C[C@@H]1CCC[NH2+]1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC001649143559 1128135512 /nfs/dbraw/zinc/13/55/12/1128135512.db2.gz SEYLZYUTRGNKQU-GJZGRUSLSA-N 3 0 339.484 -0.565 20 0 EBADRP C[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@]3(C)C2)CC1 ZINC001091975025 1128174415 /nfs/dbraw/zinc/17/44/15/1128174415.db2.gz CGZNODWSPGACMA-RKVPGOIHSA-N 2 0 334.464 -0.003 20 0 EBADRP CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)nn1 ZINC001093328605 1128321049 /nfs/dbraw/zinc/32/10/49/1128321049.db2.gz WEXFYBVTWTVSSB-VXKCQOAXSA-N 2 0 346.435 -0.366 20 0 EBADRP COC[C@]1(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C[NH2+]CCO1 ZINC001649156715 1128340482 /nfs/dbraw/zinc/34/04/82/1128340482.db2.gz FKJZBTPUZUZVIU-YCPHGPKFSA-N 2 0 327.425 -0.951 20 0 EBADRP C[C@@H](NC(=O)c1cnn2cc(CC[NH3+])cnc12)[C@H]1C[N@H+](C)CCN1C ZINC001649157099 1128343649 /nfs/dbraw/zinc/34/36/49/1128343649.db2.gz LJHXWQVKQXOSSS-IUODEOHRSA-N 2 0 345.451 -0.405 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001488383177 1128760019 /nfs/dbraw/zinc/76/00/19/1128760019.db2.gz QOIKTLNDVPJCTL-LSDHHAIUSA-N 2 0 342.484 -0.396 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1)C(=O)NC(N)=O ZINC001488790691 1128854751 /nfs/dbraw/zinc/85/47/51/1128854751.db2.gz YQVIGFDJVGMFHE-UTUOFQBUSA-N 2 0 337.424 -0.850 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](OCC)C1 ZINC001489009045 1128897903 /nfs/dbraw/zinc/89/79/03/1128897903.db2.gz BKTCRMFPBHZJAF-QLFBSQMISA-N 2 0 340.468 -0.201 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCc2nc(C[NH2+]CCCO)cc(=O)[nH]2)C1 ZINC001489077899 1128906543 /nfs/dbraw/zinc/90/65/43/1128906543.db2.gz JVOFYELRQXWQHO-LBPRGKRZSA-N 2 0 337.424 -0.388 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH+](CCO)CCCO)C2)C1 ZINC001489171603 1128916281 /nfs/dbraw/zinc/91/62/81/1128916281.db2.gz ZMRGKFCLRDQHRI-CVEARBPZSA-N 2 0 327.469 -0.004 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@H]([N@@H+](CCO)CCCO)C1 ZINC001489161257 1128923466 /nfs/dbraw/zinc/92/34/66/1128923466.db2.gz UBCYOOAOLYYIFC-DLBZAZTESA-N 2 0 339.480 -0.004 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1)[NH+](C)C ZINC001489396559 1128976595 /nfs/dbraw/zinc/97/65/95/1128976595.db2.gz MFQBQXKBPSGDTE-KBUPBQIOSA-N 2 0 342.484 -0.399 20 0 EBADRP CO[C@@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001489521932 1128992811 /nfs/dbraw/zinc/99/28/11/1128992811.db2.gz CSTARQSXJWEBKE-RBSFLKMASA-N 2 0 340.468 -0.380 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001489581242 1129016869 /nfs/dbraw/zinc/01/68/69/1129016869.db2.gz AIDUFMVXVUWXPG-CABCVRRESA-N 2 0 340.468 -0.498 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001490183416 1129138022 /nfs/dbraw/zinc/13/80/22/1129138022.db2.gz NWCMWJMWTMYLHH-CABCVRRESA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+](C)CCN2C(=O)CNC2=O)C1 ZINC001490250149 1129152518 /nfs/dbraw/zinc/15/25/18/1129152518.db2.gz CZUVJMKKLIVZHF-ZDUSSCGKSA-N 2 0 339.440 -0.682 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1O ZINC001414060777 1131367790 /nfs/dbraw/zinc/36/77/90/1131367790.db2.gz LNYUBRHVIIQHLC-KGLIPLIRSA-N 2 0 328.457 -0.642 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC(CCO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001411751766 1129367018 /nfs/dbraw/zinc/36/70/18/1129367018.db2.gz NLUSOWLMMMQMTP-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCC(=O)N1CC(CCO)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001411787762 1129385303 /nfs/dbraw/zinc/38/53/03/1129385303.db2.gz GVENLYZMHZTFKU-UHFFFAOYSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)C[C@H]1C[NH+](C)C ZINC001412447713 1129531002 /nfs/dbraw/zinc/53/10/02/1129531002.db2.gz PDYPTCJFEGWRBQ-ZIAGYGMSSA-N 2 0 333.436 -0.008 20 0 EBADRP CC[C@H](C(=O)N[C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1)[NH+](C)C ZINC001412872772 1129751005 /nfs/dbraw/zinc/75/10/05/1129751005.db2.gz DBUBZMRJCDVGBH-CHWSQXEVSA-N 2 0 328.457 -0.596 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H](CO)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001412976950 1129833515 /nfs/dbraw/zinc/83/35/15/1129833515.db2.gz XQGBEZXNUPYMCL-ZDUSSCGKSA-N 2 0 333.392 -0.507 20 0 EBADRP COC(=O)CNC(=O)C[NH2+]C1CCC(C)([NH+]2CCOCC2)CC1 ZINC001413236771 1129961119 /nfs/dbraw/zinc/96/11/19/1129961119.db2.gz VVXJGVMBIGAYMX-UHFFFAOYSA-N 2 0 327.425 -0.101 20 0 EBADRP CN(C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2)C(=O)[C@H]1CCC[N@@H+]1C ZINC001413244114 1129968812 /nfs/dbraw/zinc/96/88/12/1129968812.db2.gz YAIURIADIRWBRX-ZIAGYGMSSA-N 2 0 338.452 -0.888 20 0 EBADRP CN(C[C@H](O)CNC(=O)C1([NH+](C)C)CCC1)C(=O)C[NH+]1CCCC1 ZINC001413265940 1129973707 /nfs/dbraw/zinc/97/37/07/1129973707.db2.gz MAURYHSCKLIVTI-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP COCC(=O)NCCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001413414717 1130078372 /nfs/dbraw/zinc/07/83/72/1130078372.db2.gz WQFWQRMXKLUXPB-ZIAGYGMSSA-N 2 0 328.457 -0.663 20 0 EBADRP C[NH+](C)CCN1C[C@H](C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)CC1=O ZINC001413485390 1130104819 /nfs/dbraw/zinc/10/48/19/1130104819.db2.gz GQJKEFSTDYVALS-QLFBSQMISA-N 2 0 338.452 -0.936 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)Nc3cnccn3)C2)CC[N@@H+]1C ZINC001490890367 1130211948 /nfs/dbraw/zinc/21/19/48/1130211948.db2.gz UYZGHRLUWBNXLC-AAVRWANBSA-N 2 0 346.435 -0.008 20 0 EBADRP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](O)Cn3cccn3)C2)CCC1 ZINC001490897460 1130229205 /nfs/dbraw/zinc/22/92/05/1130229205.db2.gz IUVCCSGCYKHZOA-RBSFLKMASA-N 2 0 335.452 -0.035 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC001413734300 1130248131 /nfs/dbraw/zinc/24/81/31/1130248131.db2.gz ZGEZAMHACBNFOI-GJZGRUSLSA-N 2 0 327.473 -0.622 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001490921546 1130267868 /nfs/dbraw/zinc/26/78/68/1130267868.db2.gz HCTPKQALVRCWKG-JOCQHMNTSA-N 2 0 339.440 -0.447 20 0 EBADRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)C1)[NH+](C)C ZINC001491029826 1130297051 /nfs/dbraw/zinc/29/70/51/1130297051.db2.gz JXWBZZYMVUAECS-HZSPNIEDSA-N 2 0 326.441 -0.578 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001491051061 1130306869 /nfs/dbraw/zinc/30/68/69/1130306869.db2.gz RBMOGFJIRBRRLH-OKILXGFUSA-N 2 0 346.497 -0.496 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001491318772 1130397904 /nfs/dbraw/zinc/39/79/04/1130397904.db2.gz ATKXQUANXLYBKG-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001216463862 1130523304 /nfs/dbraw/zinc/52/33/04/1130523304.db2.gz JYYYETHOPMUYJE-MGPQQGTHSA-N 2 0 338.452 -0.040 20 0 EBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCN1C(=O)CCC1=O ZINC001491561455 1130530137 /nfs/dbraw/zinc/53/01/37/1130530137.db2.gz WGQXDIVSMYYLPV-RDBSUJKOSA-N 2 0 338.452 -0.040 20 0 EBADRP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1nnc2n1CCOC2 ZINC001492126964 1130583758 /nfs/dbraw/zinc/58/37/58/1130583758.db2.gz CQPMHQGCYRIZIX-CYBMUJFWSA-N 2 0 336.440 -0.112 20 0 EBADRP C[NH+](C)CCC(=O)NCC[N@H+](C)CCc1nnn(C(C)(C)C)n1 ZINC001492403090 1130658052 /nfs/dbraw/zinc/65/80/52/1130658052.db2.gz YXUJKKRDZUWUKY-UHFFFAOYSA-N 2 0 325.461 -0.030 20 0 EBADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@H+](C)CC(=O)NC(N)=O ZINC001479815488 1130737929 /nfs/dbraw/zinc/73/79/29/1130737929.db2.gz IPNHXNZEZLLEFN-RYUDHWBXSA-N 2 0 327.429 -0.508 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001356823057 1130961812 /nfs/dbraw/zinc/96/18/12/1130961812.db2.gz OVXPZHYYBXCLND-AWEZNQCLSA-N 2 0 340.468 -0.519 20 0 EBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC001364223616 1132243967 /nfs/dbraw/zinc/24/39/67/1132243967.db2.gz ZMIMQRCZQBBBLN-HOTGVXAUSA-N 2 0 341.500 -0.232 20 0 EBADRP C[NH+](C)CCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001364284397 1132261359 /nfs/dbraw/zinc/26/13/59/1132261359.db2.gz HSMRDKZVPUZIPK-UHFFFAOYSA-N 2 0 327.473 -0.356 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)c2nc3ncccn3n2)C[C@H]1C[NH+](C)C ZINC001364449172 1132320157 /nfs/dbraw/zinc/32/01/57/1132320157.db2.gz RLOSRNOYPZCUGT-CHWSQXEVSA-N 2 0 331.424 -0.064 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@H]1C[NH+](C)C ZINC001364447895 1132320582 /nfs/dbraw/zinc/32/05/82/1132320582.db2.gz FQWAHHOEDGCMAP-RRFJBIMHSA-N 2 0 339.484 -0.025 20 0 EBADRP Cn1nccc1C1(O)CC[NH+](CCC(=O)N2CCN(C)CC2)CC1 ZINC001364475248 1132331081 /nfs/dbraw/zinc/33/10/81/1132331081.db2.gz FQFRFPIGFUKHDR-UHFFFAOYSA-N 2 0 335.452 -0.132 20 0 EBADRP Cn1nccc1C1(O)CCN(CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC001364488089 1132336224 /nfs/dbraw/zinc/33/62/24/1132336224.db2.gz APKMSDAMSLBFCN-UHFFFAOYSA-N 2 0 335.452 -0.086 20 0 EBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001365556118 1132718686 /nfs/dbraw/zinc/71/86/86/1132718686.db2.gz TUEBBBILBXVIEU-HZPDHXFCSA-N 2 0 341.500 -0.232 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1nc(N)n[nH]1 ZINC001365658371 1132749616 /nfs/dbraw/zinc/74/96/16/1132749616.db2.gz MHPNIEZYRABLPU-LBPRGKRZSA-N 2 0 338.460 -0.056 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001365821074 1132818475 /nfs/dbraw/zinc/81/84/75/1132818475.db2.gz ALFYGTVTQRXUMW-UPJWGTAASA-N 2 0 339.440 -0.732 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001365857631 1132835149 /nfs/dbraw/zinc/83/51/49/1132835149.db2.gz RSKUDBYNPURWFV-NWDGAFQWSA-N 2 0 327.429 -0.602 20 0 EBADRP Cn1nccc1CC[NH+]1CCN(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001365964959 1132927806 /nfs/dbraw/zinc/92/78/06/1132927806.db2.gz CZQJDNCFSQXJJL-UHFFFAOYSA-N 2 0 348.495 -0.208 20 0 EBADRP CNC(=O)[C@@H](C)N1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001365997197 1132956435 /nfs/dbraw/zinc/95/64/35/1132956435.db2.gz QNTVFRVXMGRNRQ-OLZOCXBDSA-N 2 0 326.441 -0.578 20 0 EBADRP COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001366104071 1133006965 /nfs/dbraw/zinc/00/69/65/1133006965.db2.gz VXTALAUMRCFRFK-QLFBSQMISA-N 2 0 329.441 -0.848 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001366111249 1133011482 /nfs/dbraw/zinc/01/14/82/1133011482.db2.gz NDLSDYKIZRLBCJ-IJLUTSLNSA-N 2 0 325.413 -0.709 20 0 EBADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC[C@H]2CCOC2)C1)[NH+](C)C ZINC001366125622 1133017541 /nfs/dbraw/zinc/01/75/41/1133017541.db2.gz PWLWBLTWVOKWRY-TUVASFSCSA-N 2 0 340.468 -0.284 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001366147562 1133026482 /nfs/dbraw/zinc/02/64/82/1133026482.db2.gz QSYMVYWTOCSUFC-WUHRBBMRSA-N 2 0 339.440 -0.321 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001366147555 1133026628 /nfs/dbraw/zinc/02/66/28/1133026628.db2.gz QSYMVYWTOCSUFC-FVCCEPFGSA-N 2 0 339.440 -0.321 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001366160193 1133032070 /nfs/dbraw/zinc/03/20/70/1133032070.db2.gz DEJQVOIMPNBWRP-FRRDWIJNSA-N 2 0 339.440 -0.447 20 0 EBADRP C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001366228373 1133064534 /nfs/dbraw/zinc/06/45/34/1133064534.db2.gz HAPUKOWDKJBIIS-RYUDHWBXSA-N 2 0 327.429 -0.650 20 0 EBADRP CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001366291662 1133086376 /nfs/dbraw/zinc/08/63/76/1133086376.db2.gz GVVOHCMMFSSPDL-CQSZACIVSA-N 2 0 342.484 -0.083 20 0 EBADRP C[C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH2+]CC(=O)N1CCC1 ZINC001366354987 1133109164 /nfs/dbraw/zinc/10/91/64/1133109164.db2.gz BHYCMBAGARDMSI-KBPBESRZSA-N 2 0 326.441 -0.719 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001366365727 1133113499 /nfs/dbraw/zinc/11/34/99/1133113499.db2.gz KUYLHPUGZWRKCV-UONOGXRCSA-N 2 0 348.513 -0.298 20 0 EBADRP O=C(C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)NC(=O)NC1CC1 ZINC001366388661 1133125162 /nfs/dbraw/zinc/12/51/62/1133125162.db2.gz RFQIHGSNMFWTEK-ZDUSSCGKSA-N 2 0 349.435 -0.739 20 0 EBADRP CN(CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001366395401 1133128182 /nfs/dbraw/zinc/12/81/82/1133128182.db2.gz ZOLUPQRRZOLOGE-STQMWFEESA-N 2 0 332.470 -0.980 20 0 EBADRP CN(CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)S(C)(=O)=O ZINC001366395400 1133128372 /nfs/dbraw/zinc/12/83/72/1133128372.db2.gz ZOLUPQRRZOLOGE-OLZOCXBDSA-N 2 0 332.470 -0.980 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1)[NH+](CC)CC ZINC001366403164 1133131603 /nfs/dbraw/zinc/13/16/03/1133131603.db2.gz BTBVAYSWWZSBQH-CHWSQXEVSA-N 2 0 341.456 -0.260 20 0 EBADRP CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001366408806 1133135055 /nfs/dbraw/zinc/13/50/55/1133135055.db2.gz KOHJCMUYZQGIKL-CABCVRRESA-N 2 0 340.468 -0.471 20 0 EBADRP C[C@@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]C[C@H](O)Cn1cccn1 ZINC001366501360 1133159583 /nfs/dbraw/zinc/15/95/83/1133159583.db2.gz WADCXGXVUBGBPR-GJZGRUSLSA-N 2 0 335.452 -0.176 20 0 EBADRP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)Nc1nncs1 ZINC001366513000 1133163289 /nfs/dbraw/zinc/16/32/89/1133163289.db2.gz XXXDLXOOTLWXPO-GHMZBOCLSA-N 2 0 340.453 -0.087 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC001366852581 1133320539 /nfs/dbraw/zinc/32/05/39/1133320539.db2.gz MHVUUGHGDBZESV-QWHCGFSZSA-N 2 0 341.456 -0.260 20 0 EBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C2)CC1 ZINC001367035642 1133443227 /nfs/dbraw/zinc/44/32/27/1133443227.db2.gz GGCIPPAYICQWCK-CQSZACIVSA-N 2 0 336.440 -0.421 20 0 EBADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1)C(=O)NC(N)=O ZINC001367203592 1133500600 /nfs/dbraw/zinc/50/06/00/1133500600.db2.gz XYMIJUJDTLUFRE-ZDEQEGDKSA-N 2 0 339.440 -0.319 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001367223372 1133506895 /nfs/dbraw/zinc/50/68/95/1133506895.db2.gz XBSPWIQPDYUEKW-CHWSQXEVSA-N 2 0 339.440 -0.493 20 0 EBADRP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCC1)C(=O)NC(N)=O ZINC001367329074 1133551896 /nfs/dbraw/zinc/55/18/96/1133551896.db2.gz WXXSBHKGOIUULV-RYUDHWBXSA-N 2 0 339.440 -0.460 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)NC1CCOCC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001367376860 1133570237 /nfs/dbraw/zinc/57/02/37/1133570237.db2.gz NXFKDIKNBCNBCP-DZGCQCFKSA-N 2 0 340.468 -0.188 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367401884 1133579583 /nfs/dbraw/zinc/57/95/83/1133579583.db2.gz YVKNXYKSIYQXHX-RYUDHWBXSA-N 2 0 327.429 -0.780 20 0 EBADRP CC(C)(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001367609550 1133689550 /nfs/dbraw/zinc/68/95/50/1133689550.db2.gz RBNXNLUNPKFHHF-ZDUSSCGKSA-N 2 0 340.468 -0.404 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccn(C)c(=O)c1)[NH+](C)C ZINC001367618373 1133700836 /nfs/dbraw/zinc/70/08/36/1133700836.db2.gz CYWQNWYSBFJGJQ-ZBFHGGJFSA-N 2 0 338.452 -0.462 20 0 EBADRP C[NH+]1CCC(OCC(=O)NC[C@@H](O)C[NH2+]Cc2cncs2)CC1 ZINC001367619426 1133702895 /nfs/dbraw/zinc/70/28/95/1133702895.db2.gz QRNFSPRILVHVAO-LBPRGKRZSA-N 2 0 342.465 -0.179 20 0 EBADRP COc1ncccc1C[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001367624018 1133710449 /nfs/dbraw/zinc/71/04/49/1133710449.db2.gz PMPMDSMEMVLDKI-AWEZNQCLSA-N 2 0 334.420 -0.247 20 0 EBADRP COc1nscc1C[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001367627435 1133715396 /nfs/dbraw/zinc/71/53/96/1133715396.db2.gz VHUPDJICKZGQRT-LBPRGKRZSA-N 2 0 340.449 -0.186 20 0 EBADRP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001367642695 1133727291 /nfs/dbraw/zinc/72/72/91/1133727291.db2.gz IBZHEGCEGVEFGD-CYBMUJFWSA-N 2 0 328.457 -0.343 20 0 EBADRP CCN(CC[NH2+][C@H](C)C(=O)NC(N)=O)C(=O)C12CC[NH+](CC1)C2 ZINC001367683579 1133744965 /nfs/dbraw/zinc/74/49/65/1133744965.db2.gz DJFCVRSLYJXCAB-LLVKDONJSA-N 2 0 325.413 -0.896 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC(=O)NC(C)(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001367713043 1133755937 /nfs/dbraw/zinc/75/59/37/1133755937.db2.gz UFHFMOLBNXKNSS-NEPJUHHUSA-N 2 0 341.456 -0.343 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001367730934 1133763408 /nfs/dbraw/zinc/76/34/08/1133763408.db2.gz GUXNXWNTGGSKGA-STQMWFEESA-N 2 0 341.456 -0.201 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)N1CCOCC1)NC(=O)CC[NH+]1CCCCC1 ZINC001367775897 1133781513 /nfs/dbraw/zinc/78/15/13/1133781513.db2.gz KHOFFKFOEJVFFN-HNNXBMFYSA-N 2 0 340.468 -0.185 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC001368017793 1133897926 /nfs/dbraw/zinc/89/79/26/1133897926.db2.gz WPPXXELNKYAJOO-CABCVRRESA-N 2 0 335.452 -0.033 20 0 EBADRP CC[C@@H](C(=O)NCC1([NH2+]CC(=O)NC(=O)NC2CC2)CC1)[NH+](C)C ZINC001368021704 1133900082 /nfs/dbraw/zinc/90/00/82/1133900082.db2.gz WVPMZOXGKYIYLK-LBPRGKRZSA-N 2 0 339.440 -0.447 20 0 EBADRP CNC(=O)NC(=O)C[N@@H+]1CC[C@]2(CCN(C(=O)Cn3ccnc3)C2)C1 ZINC001368058012 1133915796 /nfs/dbraw/zinc/91/57/96/1133915796.db2.gz GCSDPNKMFAFJNV-INIZCTEOSA-N 2 0 348.407 -0.737 20 0 EBADRP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1)C(=O)NC(N)=O ZINC001368105063 1133940624 /nfs/dbraw/zinc/94/06/24/1133940624.db2.gz CWKYQKSFWDTSNL-YPMHNXCESA-N 2 0 339.440 -0.508 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001368110409 1133943589 /nfs/dbraw/zinc/94/35/89/1133943589.db2.gz QMBWOYZYANCPFS-LBPRGKRZSA-N 2 0 339.440 -0.636 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2C[NH2+]CC(=O)NC(N)=O)C1 ZINC001368121740 1133947250 /nfs/dbraw/zinc/94/72/50/1133947250.db2.gz HIVJSFCEACVBRS-RYUDHWBXSA-N 2 0 325.413 -0.896 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]2C[NH2+]CC(=O)NC(N)=O)C1 ZINC001368121729 1133947406 /nfs/dbraw/zinc/94/74/06/1133947406.db2.gz HIVJSFCEACVBRS-NEPJUHHUSA-N 2 0 325.413 -0.896 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001368144840 1133957493 /nfs/dbraw/zinc/95/74/93/1133957493.db2.gz MFBLYOPVMBYLJD-JKSUJKDBSA-N 2 0 344.475 -0.123 20 0 EBADRP C[NH+](C)CC1(C(=O)NC[C@@]2(O)CC[N@H+](CCn3cccn3)C2)CC1 ZINC001368267512 1134067586 /nfs/dbraw/zinc/06/75/86/1134067586.db2.gz WINPPONWAQYOEZ-KRWDZBQOSA-N 2 0 335.452 -0.222 20 0 EBADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@@](O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001368273434 1134081614 /nfs/dbraw/zinc/08/16/14/1134081614.db2.gz VVIVROMZELIXFW-RHSMWYFYSA-N 2 0 340.468 -0.465 20 0 EBADRP C[NH+]1CCC(OCC(=O)NC[C@]2(O)CC[N@H+](CCCO)C2)CC1 ZINC001368280180 1134094372 /nfs/dbraw/zinc/09/43/72/1134094372.db2.gz UBPHYCQTSANLLL-MRXNPFEDSA-N 2 0 329.441 -0.967 20 0 EBADRP COC[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4cncn4C3)C[C@H]2C1 ZINC001368359678 1134164148 /nfs/dbraw/zinc/16/41/48/1134164148.db2.gz ZVRPDIYBBHWDHS-LJIGWXMPSA-N 2 0 348.447 -0.157 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NCC4CC4)C[C@@H]3C2)C1 ZINC001368359441 1134164242 /nfs/dbraw/zinc/16/42/42/1134164242.db2.gz RQBIKROIZLQUEM-HRCADAONSA-N 2 0 334.464 -0.146 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@@H]2C1)[NH+](C)C ZINC001368362667 1134166342 /nfs/dbraw/zinc/16/63/42/1134166342.db2.gz GOVDKVNXSGZXGN-MJBXVCDLSA-N 2 0 346.497 -0.734 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NCC3CC3)C[C@@H]2C1 ZINC001368393062 1134195049 /nfs/dbraw/zinc/19/50/49/1134195049.db2.gz DXBJBBJDVHZQGB-OWCLPIDISA-N 2 0 334.464 -0.003 20 0 EBADRP CC(C)[C@H](C(=O)N(CCO)CC[NH2+][C@@H]1CCCN(C)C1=O)[NH+](C)C ZINC001368409806 1134211088 /nfs/dbraw/zinc/21/10/88/1134211088.db2.gz LVZLJSURTGJJAA-HUUCEWRRSA-N 2 0 342.484 -0.396 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]C[C@H](O)Cn2cccn2)CCC1 ZINC001368467287 1134243547 /nfs/dbraw/zinc/24/35/47/1134243547.db2.gz XUOMXDUZQOIZBS-LSDHHAIUSA-N 2 0 335.452 -0.033 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC001368505617 1134258093 /nfs/dbraw/zinc/25/80/93/1134258093.db2.gz NBLUWAYJTQXOHL-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001368508415 1134261163 /nfs/dbraw/zinc/26/11/63/1134261163.db2.gz HJXABSRDGOIVMF-HUUCEWRRSA-N 2 0 338.452 -0.434 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001368520695 1134271466 /nfs/dbraw/zinc/27/14/66/1134271466.db2.gz CPPRNJCSYOKWLS-UTUOFQBUSA-N 2 0 327.429 -0.604 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC(=O)NC(N)=O)CC1 ZINC001368523830 1134273725 /nfs/dbraw/zinc/27/37/25/1134273725.db2.gz WNSQCXOBBYBSKC-RYUDHWBXSA-N 2 0 325.413 -0.754 20 0 EBADRP C[C@H]([NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CCO1)C(N)=O ZINC001368523341 1134274159 /nfs/dbraw/zinc/27/41/59/1134274159.db2.gz XQBFBCCPBRCDOJ-GJZGRUSLSA-N 2 0 340.468 -0.057 20 0 EBADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCO1 ZINC001368563250 1134291454 /nfs/dbraw/zinc/29/14/54/1134291454.db2.gz AMCIXKJYVMPYEJ-HUUCEWRRSA-N 2 0 340.468 -0.188 20 0 EBADRP CCNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001368618449 1134329816 /nfs/dbraw/zinc/32/98/16/1134329816.db2.gz CPZYVJGQVJRODU-QGZVFWFLSA-N 2 0 340.468 -0.593 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCC[C@@](CO)([NH2+]CCn2cncn2)C1 ZINC001368628006 1134340043 /nfs/dbraw/zinc/34/00/43/1134340043.db2.gz JKDSWDXLPNGBNL-MRXNPFEDSA-N 2 0 336.440 -0.683 20 0 EBADRP CCN(C)C(=O)C[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001368630688 1134344006 /nfs/dbraw/zinc/34/40/06/1134344006.db2.gz QAKZBJIDVMZRKC-WMLDXEAASA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@](CO)([NH2+]CC(=O)N(C)CC)C1)[NH+](C)C ZINC001368633215 1134345937 /nfs/dbraw/zinc/34/59/37/1134345937.db2.gz RKTQTYAFXTVVDW-PBHICJAKSA-N 2 0 342.484 -0.252 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001368634694 1134347109 /nfs/dbraw/zinc/34/71/09/1134347109.db2.gz CGKKOYFDVZQJJR-STQMWFEESA-N 2 0 326.441 -0.672 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001368634689 1134347304 /nfs/dbraw/zinc/34/73/04/1134347304.db2.gz CGKKOYFDVZQJJR-OLZOCXBDSA-N 2 0 326.441 -0.672 20 0 EBADRP Cc1nnc(C[NH2+]CC2(NC(=O)C34CC[NH+](CC3)C4)CCOCC2)[nH]1 ZINC001368637003 1134348648 /nfs/dbraw/zinc/34/86/48/1134348648.db2.gz MKFDLCUGAYSIEU-UHFFFAOYSA-N 2 0 348.451 -0.036 20 0 EBADRP CC[C@@H](C(=O)NC1(C[NH2+]Cc2cn(C)nn2)CCOCC1)[NH+](C)C ZINC001368637812 1134349167 /nfs/dbraw/zinc/34/91/67/1134349167.db2.gz UXNNZTRAWVCBLQ-AWEZNQCLSA-N 2 0 338.456 -0.090 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001368642895 1134351324 /nfs/dbraw/zinc/35/13/24/1134351324.db2.gz VVCNXGCJXVFOST-QWHCGFSZSA-N 2 0 341.456 -0.342 20 0 EBADRP Cn1nnnc1C[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001368645255 1134352237 /nfs/dbraw/zinc/35/22/37/1134352237.db2.gz YZKCTYXUSUDBSL-MELADBBJSA-N 2 0 335.456 -0.074 20 0 EBADRP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CC(=O)NC ZINC001368660953 1134361354 /nfs/dbraw/zinc/36/13/54/1134361354.db2.gz WYABQDVTYKCXQG-ZIAGYGMSSA-N 2 0 326.441 -0.719 20 0 EBADRP CCNC(=O)C[NH2+][C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001368664564 1134363547 /nfs/dbraw/zinc/36/35/47/1134363547.db2.gz YFNODQVEEVRHCJ-HIFRSBDPSA-N 2 0 340.468 -0.330 20 0 EBADRP CCNC(=O)C[NH2+][C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001368664567 1134363889 /nfs/dbraw/zinc/36/38/89/1134363889.db2.gz YFNODQVEEVRHCJ-ZFWWWQNUSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@H]([NH2+]CC1(O)CCN(C(=O)C23CCC[NH+]2CCC3)CC1)C(N)=O ZINC001368681345 1134379067 /nfs/dbraw/zinc/37/90/67/1134379067.db2.gz BHKGBTFXORGAQO-ZDUSSCGKSA-N 2 0 338.452 -0.568 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC(O)(C[NH2+]CC(=O)N2CCC2)CC1 ZINC001368683058 1134380762 /nfs/dbraw/zinc/38/07/62/1134380762.db2.gz QKWQTAZVSFAAQF-UHFFFAOYSA-N 2 0 340.468 -0.496 20 0 EBADRP CC[C@H](C)NC(=O)C[NH2+]CC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001368695609 1134397223 /nfs/dbraw/zinc/39/72/23/1134397223.db2.gz UYVJKHXTJBVPBQ-AWEZNQCLSA-N 2 0 342.484 -0.204 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CCN1CCCS1(=O)=O ZINC001368894816 1134477812 /nfs/dbraw/zinc/47/78/12/1134477812.db2.gz NOLLHQRQGZVCRR-UONOGXRCSA-N 2 0 348.513 -0.155 20 0 EBADRP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)C1C[NH+](CCN2CCNC2=O)C1 ZINC001369085257 1134557686 /nfs/dbraw/zinc/55/76/86/1134557686.db2.gz VNMZMJONRVLNGJ-CYBMUJFWSA-N 2 0 337.468 -0.068 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CC(=O)N2CCC2)C1 ZINC001369155562 1134596853 /nfs/dbraw/zinc/59/68/53/1134596853.db2.gz JUVUBNIGPXDPNB-CABCVRRESA-N 2 0 340.468 -0.236 20 0 EBADRP CNC(=O)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC001369159937 1134600301 /nfs/dbraw/zinc/60/03/01/1134600301.db2.gz OQHINEBOTADLKJ-GJZGRUSLSA-N 2 0 340.468 -0.330 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001369321794 1134661902 /nfs/dbraw/zinc/66/19/02/1134661902.db2.gz FPFTWVMJTVAQTF-CYBMUJFWSA-N 2 0 328.457 -0.596 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCn1cncn1 ZINC001369363940 1134717653 /nfs/dbraw/zinc/71/76/53/1134717653.db2.gz OMBODCTXKDWPDG-GJZGRUSLSA-N 2 0 338.456 -0.392 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](CO)[NH2+]Cc1cncs1 ZINC001369381103 1134742359 /nfs/dbraw/zinc/74/23/59/1134742359.db2.gz ITADAKRHIXTEMY-STQMWFEESA-N 2 0 342.465 -0.322 20 0 EBADRP CC(C)N1CC[C@H]([NH2+][C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001369384914 1134746672 /nfs/dbraw/zinc/74/66/72/1134746672.db2.gz UMYKPKLOKCCNTQ-KBPBESRZSA-N 2 0 338.452 -0.842 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC(C)(C)C)C1 ZINC001369387642 1134749624 /nfs/dbraw/zinc/74/96/24/1134749624.db2.gz VCFLECMXRXIIHO-STQMWFEESA-N 2 0 328.457 -0.833 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCC[NH+](C)C)C1 ZINC001369406749 1134763935 /nfs/dbraw/zinc/76/39/35/1134763935.db2.gz RCBOPFRVOAXXDA-CHWSQXEVSA-N 2 0 341.456 -0.247 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001369428604 1134775743 /nfs/dbraw/zinc/77/57/43/1134775743.db2.gz XKBAVMZCJTWQSW-VXGBXAGGSA-N 2 0 327.429 -0.732 20 0 EBADRP CN(C[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001369468744 1134817521 /nfs/dbraw/zinc/81/75/21/1134817521.db2.gz FUTDGVYFEIXITE-KBPBESRZSA-N 2 0 340.468 -0.500 20 0 EBADRP CN(C[C@H](O)C[NH2+]CC(N)=O)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001369470290 1134821097 /nfs/dbraw/zinc/82/10/97/1134821097.db2.gz DZWDUBWSWPLUQX-CYBMUJFWSA-N 2 0 328.457 -0.466 20 0 EBADRP CN(C[C@@H](O)C[NH2+]Cc1ccc(C(N)=O)cc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001369479067 1134843455 /nfs/dbraw/zinc/84/34/55/1134843455.db2.gz DPOVYLNBUDJHPO-HOTGVXAUSA-N 2 0 348.447 -0.354 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001369480523 1134846810 /nfs/dbraw/zinc/84/68/10/1134846810.db2.gz OGTLJJJGYZXPBI-KBPBESRZSA-N 2 0 328.457 -0.785 20 0 EBADRP CC1CC[NH+](CC(=O)N(C)C[C@@H](O)C[NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001369482466 1134848771 /nfs/dbraw/zinc/84/87/71/1134848771.db2.gz LJWVVDYQLIFSAS-GJZGRUSLSA-N 2 0 340.468 -0.642 20 0 EBADRP CC1CC[NH+](CC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001369482470 1134849753 /nfs/dbraw/zinc/84/97/53/1134849753.db2.gz LJWVVDYQLIFSAS-LSDHHAIUSA-N 2 0 340.468 -0.642 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC2CC2)C1 ZINC001369484216 1134852989 /nfs/dbraw/zinc/85/29/89/1134852989.db2.gz PTKVKORFRYPFLZ-GXTWGEPZSA-N 2 0 326.441 -0.984 20 0 EBADRP CC[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N1CCCCC1)[NH+](C)C ZINC001369489552 1134863405 /nfs/dbraw/zinc/86/34/05/1134863405.db2.gz XOXSQFZDDQIIPW-CABCVRRESA-N 2 0 342.484 -0.252 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001370366402 1135320708 /nfs/dbraw/zinc/32/07/08/1135320708.db2.gz YFUKDPNOJOZAAK-AVGNSLFASA-N 2 0 341.456 -0.393 20 0 EBADRP Cc1cc(NC(=O)C[NH2+][C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n(C)n1 ZINC001370409627 1135340122 /nfs/dbraw/zinc/34/01/22/1135340122.db2.gz WKDKAUYKKIJWHT-KBPBESRZSA-N 2 0 348.451 -0.191 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001370480408 1135369136 /nfs/dbraw/zinc/36/91/36/1135369136.db2.gz AQDHSMYDQJTRTI-XYPYZODXSA-N 2 0 325.413 -0.837 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001370504803 1135380628 /nfs/dbraw/zinc/38/06/28/1135380628.db2.gz XXRSILDBNIEPRN-CYDGBPFRSA-N 2 0 339.440 -0.448 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1)[NH+](C)C ZINC001370545038 1135403079 /nfs/dbraw/zinc/40/30/79/1135403079.db2.gz DJNJOWQAMFNUFG-KKOKHZNYSA-N 2 0 327.429 -0.607 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCO[C@H](C)C2)C1 ZINC001370565757 1135411718 /nfs/dbraw/zinc/41/17/18/1135411718.db2.gz QXOOGFGFUCMSFJ-RBSFLKMASA-N 2 0 340.468 -0.189 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1)[NH+](C)C ZINC001370647158 1135449899 /nfs/dbraw/zinc/44/98/99/1135449899.db2.gz FKVOVSPLRBOTLY-MJBXVCDLSA-N 2 0 325.457 -0.165 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001370663044 1135465925 /nfs/dbraw/zinc/46/59/25/1135465925.db2.gz HCTPKQALVRCWKG-BETUJISGSA-N 2 0 339.440 -0.447 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)Nc3cnccn3)C2)C1 ZINC001370701911 1135518283 /nfs/dbraw/zinc/51/82/83/1135518283.db2.gz GHGNOWNVUOIYAD-MCIONIFRSA-N 2 0 346.435 -0.006 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N[C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001370704102 1135521526 /nfs/dbraw/zinc/52/15/26/1135521526.db2.gz BTGVCTZVOWWBQS-CYBMUJFWSA-N 2 0 349.435 -0.550 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@@H](CO)NC(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001370728254 1135556671 /nfs/dbraw/zinc/55/66/71/1135556671.db2.gz HSERAVWKMZYWSH-KGLIPLIRSA-N 2 0 340.468 -0.594 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001370743584 1135580576 /nfs/dbraw/zinc/58/05/76/1135580576.db2.gz LOUNAZNQORGTDU-ZIAGYGMSSA-N 2 0 328.457 -0.594 20 0 EBADRP C[N@H+](CC(=O)N[C@@H](CO)CNC(=O)[C@H]1CCCC[NH+]1C)C1CCC1 ZINC001370749978 1135589492 /nfs/dbraw/zinc/58/94/92/1135589492.db2.gz WFSKJXHCUUDKPA-UKRRQHHQSA-N 2 0 340.468 -0.452 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H](CO)NC(=O)C[NH+]2CCCC2)C1 ZINC001370800997 1135643975 /nfs/dbraw/zinc/64/39/75/1135643975.db2.gz FYOSXEKNQLITIE-UONOGXRCSA-N 2 0 326.441 -0.983 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001370838661 1135667245 /nfs/dbraw/zinc/66/72/45/1135667245.db2.gz SVAYYEYEFYCHAN-QWHCGFSZSA-N 2 0 341.456 -0.390 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CC(=O)NC(N)=O)[NH+](C)C ZINC001370964442 1135715374 /nfs/dbraw/zinc/71/53/74/1135715374.db2.gz OTKOBWDHXWCPEP-JSGCOSHPSA-N 2 0 341.456 -0.262 20 0 EBADRP CN(C[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)C[NH+]1CCCC1 ZINC001371002833 1135760028 /nfs/dbraw/zinc/76/00/28/1135760028.db2.gz AICNJTZMHPRHSA-CABCVRRESA-N 2 0 340.468 -0.641 20 0 EBADRP CC(C)[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)C[NH+]1CCCC1)[NH+](C)C ZINC001371015969 1135778219 /nfs/dbraw/zinc/77/82/19/1135778219.db2.gz LNBLAUWSVHATLV-GOEBONIOSA-N 2 0 342.484 -0.396 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001371178443 1135857363 /nfs/dbraw/zinc/85/73/63/1135857363.db2.gz LLDXFOPXNQNVJD-WCQYABFASA-N 2 0 339.440 -0.732 20 0 EBADRP CC[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NC1CCOCC1)[NH+](C)C ZINC001371263586 1135874394 /nfs/dbraw/zinc/87/43/94/1135874394.db2.gz ZRTMKERYJYMAPX-TZMCWYRMSA-N 2 0 328.457 -0.284 20 0 EBADRP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC(=O)N1CCOCC1 ZINC001371366524 1135897553 /nfs/dbraw/zinc/89/75/53/1135897553.db2.gz XBTBLKFUGHMBNR-AWEZNQCLSA-N 2 0 342.484 -0.083 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1O ZINC001371466704 1135926351 /nfs/dbraw/zinc/92/63/51/1135926351.db2.gz CALVHEPAHHHUEV-HUUCEWRRSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1O)[NH+](C)C ZINC001371468402 1135927714 /nfs/dbraw/zinc/92/77/14/1135927714.db2.gz HSCPLEJSGDLEGC-HZSPNIEDSA-N 2 0 342.484 -0.255 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001371472306 1135929626 /nfs/dbraw/zinc/92/96/26/1135929626.db2.gz HLTUABHUXGQIRN-CHWSQXEVSA-N 2 0 341.456 -0.199 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@H]1O ZINC001371476051 1135931828 /nfs/dbraw/zinc/93/18/28/1135931828.db2.gz XIDLRXKEYVZNRQ-QLFBSQMISA-N 2 0 340.468 -0.500 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001371533350 1135957147 /nfs/dbraw/zinc/95/71/47/1135957147.db2.gz XNPKYXKMYUMMKG-STQMWFEESA-N 2 0 341.456 -0.249 20 0 EBADRP CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1O)[NH+](C)C ZINC001371536782 1135960003 /nfs/dbraw/zinc/96/00/03/1135960003.db2.gz IPLRIBNKWNRSJS-ILXRZTDVSA-N 2 0 340.468 -0.501 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)[C@H](C)C(=O)NC(N)=O)C1 ZINC001371696105 1136004992 /nfs/dbraw/zinc/00/49/92/1136004992.db2.gz ZSOJGAHQJAVZJI-CHWSQXEVSA-N 2 0 341.456 -0.166 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)[C@@H](C)C(=O)NC(N)=O)C1 ZINC001371696108 1136005063 /nfs/dbraw/zinc/00/50/63/1136005063.db2.gz ZSOJGAHQJAVZJI-STQMWFEESA-N 2 0 341.456 -0.166 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001371760680 1136014973 /nfs/dbraw/zinc/01/49/73/1136014973.db2.gz IPKDBGOOFVGWNO-NEPJUHHUSA-N 2 0 327.429 -0.462 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001371760682 1136015273 /nfs/dbraw/zinc/01/52/73/1136015273.db2.gz IPKDBGOOFVGWNO-NWDGAFQWSA-N 2 0 327.429 -0.462 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1O ZINC001371850974 1136037253 /nfs/dbraw/zinc/03/72/53/1136037253.db2.gz SVRBABNJHNFDBU-LSDHHAIUSA-N 2 0 340.468 -0.642 20 0 EBADRP C[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)C[C@@H](O)Cn1cccn1 ZINC001372032073 1136093395 /nfs/dbraw/zinc/09/33/95/1136093395.db2.gz ZRUCFEBUUMTSOX-OAHLLOKOSA-N 2 0 335.452 -0.080 20 0 EBADRP CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)CCN1CCNC1=O ZINC001372409458 1136194917 /nfs/dbraw/zinc/19/49/17/1136194917.db2.gz MJLBPDIERZJOHF-UHFFFAOYSA-N 2 0 325.457 -0.209 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+](CC(=O)N2CCOCC2)C1 ZINC001372670180 1136264548 /nfs/dbraw/zinc/26/45/48/1136264548.db2.gz LWVRDZZAEQKFDV-OAHLLOKOSA-N 2 0 340.468 -0.375 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001372674121 1136266134 /nfs/dbraw/zinc/26/61/34/1136266134.db2.gz YQXOMBIPNZOKSX-VXGBXAGGSA-N 2 0 327.429 -0.650 20 0 EBADRP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)NC(N)=O ZINC001372943626 1136333595 /nfs/dbraw/zinc/33/35/95/1136333595.db2.gz GTPSQEXGMWSTLG-SRVKXCTJSA-N 2 0 327.429 -0.652 20 0 EBADRP C[N@@H+](CC(=O)NC(N)=O)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001373330082 1136429645 /nfs/dbraw/zinc/42/96/45/1136429645.db2.gz NGQFQGNVYYVWPZ-ZDUSSCGKSA-N 2 0 339.440 -0.697 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001373600162 1136510247 /nfs/dbraw/zinc/51/02/47/1136510247.db2.gz AVMXMIFYCVYGFC-KBPBESRZSA-N 2 0 346.497 -0.590 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001373637998 1136522561 /nfs/dbraw/zinc/52/25/61/1136522561.db2.gz AVMXMIFYCVYGFC-ZIAGYGMSSA-N 2 0 346.497 -0.590 20 0 EBADRP CC[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC(=O)NC(N)=O ZINC001373753579 1136553471 /nfs/dbraw/zinc/55/34/71/1136553471.db2.gz OTTFNYAJEDTINF-NWDGAFQWSA-N 2 0 325.413 -0.993 20 0 EBADRP CC[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001373796422 1136562338 /nfs/dbraw/zinc/56/23/38/1136562338.db2.gz MVTVPTQALADARM-QWHCGFSZSA-N 2 0 338.456 -0.033 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(CCNC(=O)CC[NH+](C)C)CC1 ZINC001373945793 1136591100 /nfs/dbraw/zinc/59/11/00/1136591100.db2.gz HLLVDODKIDSTMQ-GFCCVEGCSA-N 2 0 341.456 -0.260 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1CCc2nccn2C1)C[NH2+]Cc1nnnn1C ZINC001374041682 1136612033 /nfs/dbraw/zinc/61/20/33/1136612033.db2.gz XWGOACKVDNIPMJ-NEPJUHHUSA-N 2 0 332.412 -0.489 20 0 EBADRP CC[C@H](C(=O)NCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CCCC1)[NH+](C)C ZINC001374178204 1136643947 /nfs/dbraw/zinc/64/39/47/1136643947.db2.gz SDRBIHHLHGUOII-GFCCVEGCSA-N 2 0 338.456 -0.033 20 0 EBADRP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001374253136 1136659167 /nfs/dbraw/zinc/65/91/67/1136659167.db2.gz PKCUZRAPVBOCDC-WCQYABFASA-N 2 0 341.456 -0.249 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)[C@H](C)C1 ZINC001374381624 1136680671 /nfs/dbraw/zinc/68/06/71/1136680671.db2.gz GEXADGRESGFAJU-OLZOCXBDSA-N 2 0 338.456 -0.225 20 0 EBADRP COc1nccc(C[NH2+]C[C@H](O)CNC(=O)C[N@@H+]2CC[C@@H](C)C2)n1 ZINC001374652026 1136775660 /nfs/dbraw/zinc/77/56/60/1136775660.db2.gz HSGWKLPQPOAHGU-OCCSQVGLSA-N 2 0 337.424 -0.606 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCC(C)CC1 ZINC001374685618 1136801047 /nfs/dbraw/zinc/80/10/47/1136801047.db2.gz PNVMIZKUSPLNFD-HNNXBMFYSA-N 2 0 342.484 -0.348 20 0 EBADRP CC[C@@H](C(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1)[NH+](C)C ZINC001374717737 1136812038 /nfs/dbraw/zinc/81/20/38/1136812038.db2.gz IBUCNEIPMWDUCO-GJZGRUSLSA-N 2 0 340.468 -0.237 20 0 EBADRP CC[C@@H]([NH2+]C[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1)C(N)=O ZINC001374906381 1136870510 /nfs/dbraw/zinc/87/05/10/1136870510.db2.gz ZARWVAXUDPWXEE-QWHCGFSZSA-N 2 0 328.457 -0.297 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)NC(=O)NC(C)(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374978008 1136888090 /nfs/dbraw/zinc/88/80/90/1136888090.db2.gz UFHFMOLBNXKNSS-NWDGAFQWSA-N 2 0 341.456 -0.343 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000668750835 545753207 /nfs/dbraw/zinc/75/32/07/545753207.db2.gz NOKMYONWMSFSEG-CYBMUJFWSA-N 2 0 328.457 -0.330 20 0 EBADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000643577008 375910591 /nfs/dbraw/zinc/91/05/91/375910591.db2.gz YNFXLROKIJMJRF-KBPBESRZSA-N 2 0 325.457 -0.923 20 0 EBADRP CN1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)[C@H](C[NH3+])C1 ZINC000643577710 375911180 /nfs/dbraw/zinc/91/11/80/375911180.db2.gz RBGBDGALFWQFDN-HUUCEWRRSA-N 2 0 337.468 -0.826 20 0 EBADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000565481095 376086240 /nfs/dbraw/zinc/08/62/40/376086240.db2.gz NCZGRANJQBTTBK-HZSPNIEDSA-N 2 0 340.468 -0.060 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCSC1 ZINC000642768959 376087810 /nfs/dbraw/zinc/08/78/10/376087810.db2.gz VEHWPQNVUDJLFI-XUJVJEKNSA-N 2 0 326.466 -0.640 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CCSC1 ZINC000642768969 376087964 /nfs/dbraw/zinc/08/79/64/376087964.db2.gz XUMPNJGJADKEAN-DOMZBBRYSA-N 2 0 328.482 -0.202 20 0 EBADRP CN1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)[C@@H](C[NH3+])C1 ZINC000584043466 376061237 /nfs/dbraw/zinc/06/12/37/376061237.db2.gz XFBOTRPACNDGRU-RDBSUJKOSA-N 2 0 325.457 -0.923 20 0 EBADRP CN1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000642789082 376152893 /nfs/dbraw/zinc/15/28/93/376152893.db2.gz PITWGYLWCJCAJG-UKRRQHHQSA-N 2 0 332.404 -0.525 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642792267 376179303 /nfs/dbraw/zinc/17/93/03/376179303.db2.gz HKSTTWRSYNHBJI-UONOGXRCSA-N 2 0 326.441 -0.719 20 0 EBADRP Cn1nccc1[C@@H]1c2[nH]cnc2CCN1CC(=O)N1CCN(C)CC1 ZINC000625500119 376243098 /nfs/dbraw/zinc/24/30/98/376243098.db2.gz RDFIEBVLOCEBHS-QGZVFWFLSA-N 2 0 343.435 -0.135 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000642887395 376452760 /nfs/dbraw/zinc/45/27/60/376452760.db2.gz QVHHJWJADJHFKV-FQUUOJAGSA-N 2 0 338.452 -0.041 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000642887396 376454071 /nfs/dbraw/zinc/45/40/71/376454071.db2.gz QVHHJWJADJHFKV-IGQOVBAYSA-N 2 0 338.452 -0.041 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000559925742 376614349 /nfs/dbraw/zinc/61/43/49/376614349.db2.gz SEBLYPRTCYIYLD-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP CCC[NH2+]CCNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000642916978 376746838 /nfs/dbraw/zinc/74/68/38/376746838.db2.gz XNUKHHDALBDKPM-AWEZNQCLSA-N 2 0 326.441 -0.575 20 0 EBADRP CCC[NH2+]CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000642917461 376748471 /nfs/dbraw/zinc/74/84/71/376748471.db2.gz VWIACPWMJYTEOP-HNNXBMFYSA-N 2 0 339.484 -0.659 20 0 EBADRP CN1CC[C@H](NC(=O)C(=O)NC2C[NH2+]C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000561226961 376818327 /nfs/dbraw/zinc/81/83/27/376818327.db2.gz KOAYJFANUMUXFO-KBPBESRZSA-N 2 0 338.358 -0.086 20 0 EBADRP CN(CCN1C(=O)c2ccccc2C1=O)CC(=O)N1CCN(C)CC1 ZINC000157375649 376893819 /nfs/dbraw/zinc/89/38/19/376893819.db2.gz NUPBJUAOMBIYBY-UHFFFAOYSA-N 2 0 344.415 -0.012 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000562871426 377012600 /nfs/dbraw/zinc/01/26/00/377012600.db2.gz MREJWDQBIVBARM-CABCVRRESA-N 2 0 338.452 -0.480 20 0 EBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000642946650 377018948 /nfs/dbraw/zinc/01/89/48/377018948.db2.gz AVUGIXVVSAUNCH-CABCVRRESA-N 2 0 339.484 -0.676 20 0 EBADRP C[NH+]1CC[C@H](CC(=O)N[C@H](CO)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000635794275 377122214 /nfs/dbraw/zinc/12/22/14/377122214.db2.gz AVFXNPVQHGSIFX-ZNMIVQPWSA-N 2 0 340.468 -0.737 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000569677946 377087677 /nfs/dbraw/zinc/08/76/77/377087677.db2.gz KWPMOJDDCWEQSC-HUUCEWRRSA-N 3 0 341.500 -0.428 20 0 EBADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000636079724 377224991 /nfs/dbraw/zinc/22/49/91/377224991.db2.gz RSPFQSHNJYHVOI-AWEZNQCLSA-N 2 0 340.468 -0.077 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C2CC2)CC1 ZINC000575015173 377316181 /nfs/dbraw/zinc/31/61/81/377316181.db2.gz OYCJXEQVGFCLDS-UHFFFAOYSA-N 2 0 339.484 -0.755 20 0 EBADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000642986982 377442763 /nfs/dbraw/zinc/44/27/63/377442763.db2.gz ZHBNHEOMZLMDLX-DZGCQCFKSA-N 2 0 331.420 -0.156 20 0 EBADRP CC[NH+]1CCN([C@H]2CCN(S(=O)(=O)C[C@@H]3C[NH2+]CCO3)C2)CC1 ZINC000601339385 377528059 /nfs/dbraw/zinc/52/80/59/377528059.db2.gz CKHJYNLPWYEWCN-GJZGRUSLSA-N 2 0 346.497 -0.984 20 0 EBADRP COC(=O)[C@H]1C[NH2+]CCCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000592984020 377866565 /nfs/dbraw/zinc/86/65/65/377866565.db2.gz CFXLGAIMASQYOX-OAHLLOKOSA-N 2 0 338.452 -0.434 20 0 EBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)NCCOCCC[NH3+])C2)CC1 ZINC000599932571 378284590 /nfs/dbraw/zinc/28/45/90/378284590.db2.gz BJVLTBLGAYWYPC-HNNXBMFYSA-N 2 0 327.473 -0.227 20 0 EBADRP COC(=O)C1CC[NH+](CCCNC(=O)CN2CC[NH2+]CC2)CC1 ZINC000602513107 378363173 /nfs/dbraw/zinc/36/31/73/378363173.db2.gz ZLSSPSYOUMPXFH-UHFFFAOYSA-N 2 0 326.441 -0.717 20 0 EBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000636808435 378405005 /nfs/dbraw/zinc/40/50/05/378405005.db2.gz IPGNRWAZGSPLTE-HOCLYGCPSA-N 2 0 340.468 -0.147 20 0 EBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000636808434 378405311 /nfs/dbraw/zinc/40/53/11/378405311.db2.gz IPGNRWAZGSPLTE-GOEBONIOSA-N 2 0 340.468 -0.147 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000563145165 378452602 /nfs/dbraw/zinc/45/26/02/378452602.db2.gz UXLMMNYGVBRNCO-NZBPQXDJSA-N 2 0 340.468 -0.278 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)NCC[NH+]2CC[C@@H](O)C2)CCCO1 ZINC000637090948 378475846 /nfs/dbraw/zinc/47/58/46/378475846.db2.gz ZBQFGGJGNCLAGH-LSDHHAIUSA-N 2 0 328.457 -0.147 20 0 EBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000324853607 378538151 /nfs/dbraw/zinc/53/81/51/378538151.db2.gz FMDLOQGGUMLELY-GFCCVEGCSA-N 2 0 339.440 -0.458 20 0 EBADRP C[NH+](C)C[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000637376000 378567967 /nfs/dbraw/zinc/56/79/67/378567967.db2.gz XNPUAVRNTMINPE-KBPBESRZSA-N 2 0 325.457 -0.081 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)C(=O)NCC(C)(C)N2CCOCC2)CCC[N@@H+]1C ZINC000339622728 378957505 /nfs/dbraw/zinc/95/75/05/378957505.db2.gz JHAVBPNMQRKYBY-KGLIPLIRSA-N 2 0 340.468 -0.188 20 0 EBADRP CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000339668156 378969487 /nfs/dbraw/zinc/96/94/87/378969487.db2.gz DLNAIPAPNUGRHH-CQSZACIVSA-N 2 0 326.441 -0.576 20 0 EBADRP C[N@H+](CCNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C1CC1 ZINC000064050602 379035754 /nfs/dbraw/zinc/03/57/54/379035754.db2.gz ASWPGBSOTXGJHM-CQSZACIVSA-N 2 0 338.452 -0.623 20 0 EBADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCOCC[NH+](C)C ZINC000471643386 379064819 /nfs/dbraw/zinc/06/48/19/379064819.db2.gz HTRITXVTGYQWHA-OAHLLOKOSA-N 2 0 329.489 -0.110 20 0 EBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1=O ZINC000452780905 379094665 /nfs/dbraw/zinc/09/46/65/379094665.db2.gz IGWODGVTOWHHSP-LSDHHAIUSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1=O ZINC000452793211 379099044 /nfs/dbraw/zinc/09/90/44/379099044.db2.gz HHPDTRNWFOZVRJ-LSDHHAIUSA-N 2 0 340.468 -0.641 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629788332 379132387 /nfs/dbraw/zinc/13/23/87/379132387.db2.gz PGJFRJYVKROESO-GHMZBOCLSA-N 2 0 338.374 -0.008 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000629787141 379132512 /nfs/dbraw/zinc/13/25/12/379132512.db2.gz SPVMVFOVUPWLEB-UHFFFAOYSA-N 2 0 335.408 -0.836 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000629794381 379138092 /nfs/dbraw/zinc/13/80/92/379138092.db2.gz AQJVGGUGDPMUTD-AWEZNQCLSA-N 2 0 326.441 -0.624 20 0 EBADRP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627293189 379138704 /nfs/dbraw/zinc/13/87/04/379138704.db2.gz NIZMGCFQZLLKLN-CVEARBPZSA-N 2 0 346.431 -0.518 20 0 EBADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000629806067 379150516 /nfs/dbraw/zinc/15/05/16/379150516.db2.gz UDUJSNNBFNORBV-UHFFFAOYSA-N 2 0 338.452 -0.478 20 0 EBADRP O=C(NCC[N@H+]1CC[C@H](O)C1)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000629913356 379216313 /nfs/dbraw/zinc/21/63/13/379216313.db2.gz JCUGBEFONWPBOJ-FUHWJXTLSA-N 2 0 333.432 -0.194 20 0 EBADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)NC[C@@H]1CN(C2CC2)CCO1 ZINC000458795267 379235047 /nfs/dbraw/zinc/23/50/47/379235047.db2.gz MTKKLFNOHMSEST-HZPDHXFCSA-N 2 0 340.468 -0.004 20 0 EBADRP O=C(NCCCCC[NH+]1CCCCC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627303686 379236383 /nfs/dbraw/zinc/23/63/83/379236383.db2.gz ZIGNONLWQNHHHY-HNNXBMFYSA-N 2 0 340.468 -0.137 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC000458447934 379224213 /nfs/dbraw/zinc/22/42/13/379224213.db2.gz XBPWZGXCGSYJBQ-GJZGRUSLSA-N 2 0 328.457 -0.147 20 0 EBADRP CN1CCN(CC(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)CC1 ZINC000619971319 379245188 /nfs/dbraw/zinc/24/51/88/379245188.db2.gz NYOWYJCLRKBQRG-HZPDHXFCSA-N 2 0 336.480 -0.007 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCCN1C(=O)CNC1=O ZINC000607242029 379251331 /nfs/dbraw/zinc/25/13/31/379251331.db2.gz GRADQBYAQGQUTB-UHFFFAOYSA-N 2 0 342.444 -0.937 20 0 EBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627320477 379322813 /nfs/dbraw/zinc/32/28/13/379322813.db2.gz DNNNCRCVAQSUCA-CYBMUJFWSA-N 2 0 326.441 -0.399 20 0 EBADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627332823 379342940 /nfs/dbraw/zinc/34/29/40/379342940.db2.gz KZAXZEKEZXIJKN-HUUCEWRRSA-N 2 0 340.468 -0.138 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000627312169 379304014 /nfs/dbraw/zinc/30/40/14/379304014.db2.gz RFOHKULDTOLADA-KBPBESRZSA-N 2 0 328.457 -0.425 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000627312111 379304755 /nfs/dbraw/zinc/30/47/55/379304755.db2.gz PQTSSGMEONMTCG-LSDHHAIUSA-N 2 0 342.484 -0.083 20 0 EBADRP CC(C)[NH+]1CCC(NC(=O)Cn2cc(CN3CC[NH2+]CC3)nn2)CC1 ZINC000641048105 379373814 /nfs/dbraw/zinc/37/38/14/379373814.db2.gz WNUPCDPMJDCOSC-UHFFFAOYSA-N 2 0 349.483 -0.328 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000627338852 379374666 /nfs/dbraw/zinc/37/46/66/379374666.db2.gz RZRMGMFTGDVZKF-UHFFFAOYSA-N 2 0 348.451 -0.743 20 0 EBADRP CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627341031 379383857 /nfs/dbraw/zinc/38/38/57/379383857.db2.gz XPEFJPPAEGKJQN-AWEZNQCLSA-N 2 0 326.441 -0.528 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CCSC1 ZINC000621842901 379367627 /nfs/dbraw/zinc/36/76/27/379367627.db2.gz BALKNQBNOKPNHN-VBNZEHGJSA-N 2 0 340.493 -0.120 20 0 EBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]1CCOCC1)C2 ZINC000621844703 379368744 /nfs/dbraw/zinc/36/87/44/379368744.db2.gz VQHJNYYWFAZNDF-PBHICJAKSA-N 2 0 338.452 -0.445 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000627349138 379410461 /nfs/dbraw/zinc/41/04/61/379410461.db2.gz CWLPWPQCVJLFRS-STQMWFEESA-N 2 0 326.441 -0.578 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000627349541 379410561 /nfs/dbraw/zinc/41/05/61/379410561.db2.gz RDJZKSDBNGVSAD-OCCSQVGLSA-N 2 0 326.441 -0.720 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000627353085 379423850 /nfs/dbraw/zinc/42/38/50/379423850.db2.gz RHPYNKPJPKGQHZ-CYBMUJFWSA-N 2 0 328.457 -0.473 20 0 EBADRP CN(C)S(=O)(=O)N1CC(NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000624284772 379535881 /nfs/dbraw/zinc/53/58/81/379535881.db2.gz AYGOAFXUGACQDG-AWEZNQCLSA-N 2 0 332.470 -0.680 20 0 EBADRP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000642640920 379537481 /nfs/dbraw/zinc/53/74/81/379537481.db2.gz LUBMHOXZIRVDCJ-HOCLYGCPSA-N 2 0 348.447 -0.143 20 0 EBADRP Nc1nc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)nc(N)[nH+]1 ZINC000624092872 379508492 /nfs/dbraw/zinc/50/84/92/379508492.db2.gz FQKTULPIHUTFQY-ZDUSSCGKSA-N 2 0 329.408 -0.313 20 0 EBADRP Nc1nc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)nc(N)[nH+]1 ZINC000624092871 379508747 /nfs/dbraw/zinc/50/87/47/379508747.db2.gz FQKTULPIHUTFQY-CYBMUJFWSA-N 2 0 329.408 -0.313 20 0 EBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000627405789 379583470 /nfs/dbraw/zinc/58/34/70/379583470.db2.gz NLMIKIIDPOLURN-AWEZNQCLSA-N 2 0 338.452 -0.432 20 0 EBADRP C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)C[NH+]1CCN(C)CC1 ZINC000627398619 379583795 /nfs/dbraw/zinc/58/37/95/379583795.db2.gz QXKDDAGXJPKJGU-KFWWJZLASA-N 2 0 339.484 -0.757 20 0 EBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C[NH2+]1 ZINC000627364301 379565274 /nfs/dbraw/zinc/56/52/74/379565274.db2.gz MBTWGLPDCVJIRU-HUUCEWRRSA-N 2 0 339.484 -0.613 20 0 EBADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627363877 379566139 /nfs/dbraw/zinc/56/61/39/379566139.db2.gz ZHZJHHQHOLJUPC-CABCVRRESA-N 2 0 340.468 -0.138 20 0 EBADRP C[NH+](C)CC1CCC(NC(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627366558 379569926 /nfs/dbraw/zinc/56/99/26/379569926.db2.gz VHCDFXYQORTNPE-UHFFFAOYSA-N 2 0 340.468 -0.153 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000627377714 379573792 /nfs/dbraw/zinc/57/37/92/379573792.db2.gz QPDXNXXSDAUPRN-UHFFFAOYSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000627385544 379576860 /nfs/dbraw/zinc/57/68/60/379576860.db2.gz OCDGECJYQZFOPE-UONOGXRCSA-N 2 0 338.452 -0.386 20 0 EBADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627481941 379630911 /nfs/dbraw/zinc/63/09/11/379630911.db2.gz JZSVRWMJJDGIMP-ZIAGYGMSSA-N 2 0 328.457 -0.282 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000627485839 379633954 /nfs/dbraw/zinc/63/39/54/379633954.db2.gz LUOIOZGXBPUDNW-UHFFFAOYSA-N 2 0 326.441 -0.445 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000627488537 379636629 /nfs/dbraw/zinc/63/66/29/379636629.db2.gz BJUZNHDPHOBWEA-CQSZACIVSA-N 2 0 326.441 -0.445 20 0 EBADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000627461756 379610818 /nfs/dbraw/zinc/61/08/18/379610818.db2.gz YPNYGUSSGHNCTG-LSDHHAIUSA-N 2 0 339.484 -0.661 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000631897018 379725647 /nfs/dbraw/zinc/72/56/47/379725647.db2.gz BAEQDZRGZVDQNH-CQSZACIVSA-N 2 0 346.497 -0.495 20 0 EBADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000627982422 379735178 /nfs/dbraw/zinc/73/51/78/379735178.db2.gz IWOLUTYDBSTOKI-OAHLLOKOSA-N 2 0 348.447 -0.088 20 0 EBADRP [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC000631946905 379789805 /nfs/dbraw/zinc/78/98/05/379789805.db2.gz NOZZQEAKJUPCEE-ZFWWWQNUSA-N 2 0 325.434 -0.137 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCC(C)CC2)CCO1 ZINC000642300708 379799119 /nfs/dbraw/zinc/79/91/19/379799119.db2.gz CBLPDUOKNLGCQE-GJZGRUSLSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCC(C)CC2)CCO1 ZINC000642300710 379799695 /nfs/dbraw/zinc/79/96/95/379799695.db2.gz CBLPDUOKNLGCQE-LSDHHAIUSA-N 2 0 340.468 -0.201 20 0 EBADRP [NH3+][C@H]1CCC[C@@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000627086492 379800857 /nfs/dbraw/zinc/80/08/57/379800857.db2.gz BAGMKIIUOGKYGI-UONOGXRCSA-N 2 0 338.456 -0.391 20 0 EBADRP C[NH2+]C[C@H]1CCCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000631900751 379767641 /nfs/dbraw/zinc/76/76/41/379767641.db2.gz HUZMCSTUQOVEKR-OAHLLOKOSA-N 2 0 332.514 -0.115 20 0 EBADRP C[NH+](C)[C@H]1CCCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000631936635 379786002 /nfs/dbraw/zinc/78/60/02/379786002.db2.gz HALOWYVKAKTBLG-HNNXBMFYSA-N 2 0 332.514 -0.020 20 0 EBADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631941326 379788245 /nfs/dbraw/zinc/78/82/45/379788245.db2.gz UJKQSZQAMRPIRO-MJBXVCDLSA-N 2 0 333.454 -0.867 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cn1 ZINC000637820981 379868688 /nfs/dbraw/zinc/86/86/88/379868688.db2.gz KOTAKUXMYKPNTN-CYBMUJFWSA-N 2 0 336.440 -0.628 20 0 EBADRP C[N@@H+]1C[C@H]2CCN(S(=O)(=O)CCCN3CC[NH+](C)CC3)[C@@H]2C1 ZINC000632360220 379853822 /nfs/dbraw/zinc/85/38/22/379853822.db2.gz SZAKEZMYFMICFB-HUUCEWRRSA-N 2 0 330.498 -0.410 20 0 EBADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000637809654 379857523 /nfs/dbraw/zinc/85/75/23/379857523.db2.gz DTCCHETXDTWCFP-WMLDXEAASA-N 2 0 348.447 -0.191 20 0 EBADRP CN([C@H]1C[NH+]2CCC1CC2)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632478213 379866941 /nfs/dbraw/zinc/86/69/41/379866941.db2.gz ZDGDQMATTXYXNW-INIZCTEOSA-N 2 0 344.525 -0.020 20 0 EBADRP COC[C@@]1(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCCC[NH2+]1 ZINC000637820337 379866935 /nfs/dbraw/zinc/86/69/35/379866935.db2.gz WQZSLLBQJCPIRS-CZUORRHYSA-N 2 0 326.441 -0.541 20 0 EBADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NCCOCC[NH2+]C)CC1 ZINC000627171648 379820788 /nfs/dbraw/zinc/82/07/88/379820788.db2.gz FXNVMMWSRMVHBY-UHFFFAOYSA-N 2 0 329.489 -0.062 20 0 EBADRP C[NH+](C)CCN1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1=O ZINC000632508532 379872450 /nfs/dbraw/zinc/87/24/50/379872450.db2.gz GQRJQACRZUFPIL-UHFFFAOYSA-N 2 0 346.497 -0.492 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000633102153 379938396 /nfs/dbraw/zinc/93/83/96/379938396.db2.gz RBAXBKGKIAGMSY-UGUYLWEFSA-N 2 0 349.479 -0.957 20 0 EBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000633139013 379947431 /nfs/dbraw/zinc/94/74/31/379947431.db2.gz GBAKPQAWEPHYSZ-RBSFLKMASA-N 2 0 337.468 -0.827 20 0 EBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000633146450 379949041 /nfs/dbraw/zinc/94/90/41/379949041.db2.gz ORYIMHDYEVUAEQ-RRFJBIMHSA-N 2 0 338.452 -0.495 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000633143410 379949492 /nfs/dbraw/zinc/94/94/92/379949492.db2.gz LVRKMTRPCKDRHL-KGLIPLIRSA-N 2 0 340.468 -0.106 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@](C)(O)C[NH+](C)C)CC1 ZINC000128587450 380001342 /nfs/dbraw/zinc/00/13/42/380001342.db2.gz ZFACNALUYCHHID-RDJZCZTQSA-N 2 0 343.516 -0.128 20 0 EBADRP C[C@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000128578121 380002040 /nfs/dbraw/zinc/00/20/40/380002040.db2.gz MBEMLNBGKMXUPB-GDBMZVCRSA-N 2 0 329.489 -0.518 20 0 EBADRP CC[NH2+][C@H](C)C(=O)N[C@H](C(=O)NCCN1CCOCC1)[C@@H](C)CC ZINC000638074678 380089575 /nfs/dbraw/zinc/08/95/75/380089575.db2.gz ONBOCVIYCUPKBO-ZNMIVQPWSA-N 2 0 342.484 -0.036 20 0 EBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[NH+](C2CCOCC2)CC1 ZINC000354693274 380084399 /nfs/dbraw/zinc/08/43/99/380084399.db2.gz OQLYTBTUCZXICY-OAHLLOKOSA-N 2 0 338.452 -0.432 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354706183 380086168 /nfs/dbraw/zinc/08/61/68/380086168.db2.gz HNONCJGTXGLHAC-UONOGXRCSA-N 2 0 326.441 -0.528 20 0 EBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000545879424 380099356 /nfs/dbraw/zinc/09/93/56/380099356.db2.gz ICCBZMHZBWMREV-QZTJIDSGSA-N 2 0 333.432 -0.194 20 0 EBADRP C[N@@H+]1CC[C@](O)(CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000545884389 380099634 /nfs/dbraw/zinc/09/96/34/380099634.db2.gz MTYBEDQVUYZWCC-PBHICJAKSA-N 2 0 340.468 -0.147 20 0 EBADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000638088429 380113667 /nfs/dbraw/zinc/11/36/67/380113667.db2.gz CQXYZVRCXBZVCZ-HEHGZKQESA-N 2 0 326.441 -0.543 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCCCn1ccnc1 ZINC000283370256 380117271 /nfs/dbraw/zinc/11/72/71/380117271.db2.gz VKSDOBVGOFCFJQ-UHFFFAOYSA-N 2 0 325.413 -0.574 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000638091154 380117520 /nfs/dbraw/zinc/11/75/20/380117520.db2.gz QLSSNJKGEQMVRT-CALCHBBNSA-N 2 0 337.512 -0.091 20 0 EBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000638114304 380162263 /nfs/dbraw/zinc/16/22/63/380162263.db2.gz YMJSMFQLIQMFCW-YOEHRIQHSA-N 2 0 340.468 -0.188 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H](N)C[NH+](C)Cc1ccccc1 ZINC000638138828 380202838 /nfs/dbraw/zinc/20/28/38/380202838.db2.gz HHLRNWKNAFHUKM-DLBZAZTESA-N 2 0 333.480 -0.192 20 0 EBADRP C[C@@](O)(CNC(=O)N[C@@H]1CCn2ccnc2C1)CN1CCOCC1 ZINC000547675443 380154217 /nfs/dbraw/zinc/15/42/17/380154217.db2.gz MOASDGFOCPPIOB-CZUORRHYSA-N 2 0 337.424 -0.420 20 0 EBADRP CC1CC[NH+](CCNC(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000340211605 380260357 /nfs/dbraw/zinc/26/03/57/380260357.db2.gz ABASZMQQROLXRY-UHFFFAOYSA-N 2 0 328.457 -0.471 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C)CC[C@H]1C ZINC000357582022 380218824 /nfs/dbraw/zinc/21/88/24/380218824.db2.gz SCLSPBJUYOSSGA-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NCC(C)(C)C(N)=O)C2)CC1 ZINC000361515721 380318050 /nfs/dbraw/zinc/31/80/50/380318050.db2.gz KODWPICLUFWKPV-LBPRGKRZSA-N 2 0 325.457 -0.034 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N(C)CC[NH+](C)C)CCCO1 ZINC000360918639 380275147 /nfs/dbraw/zinc/27/51/47/380275147.db2.gz JZYCHACAAYTZDZ-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000552939472 380312383 /nfs/dbraw/zinc/31/23/83/380312383.db2.gz MJRFMPBJLUTEDP-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)N[C@H](C)CN1CCOCC1 ZINC000340258140 380363805 /nfs/dbraw/zinc/36/38/05/380363805.db2.gz VTBRAHUSVHVEFB-CABCVRRESA-N 2 0 340.468 -0.378 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000362943375 380444578 /nfs/dbraw/zinc/44/45/78/380444578.db2.gz YECLWYPMVISCGD-HZPDHXFCSA-N 2 0 326.485 -0.310 20 0 EBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCC3CC[NH+](C4CC4)CC3)CCN2C1=O ZINC000565249811 380412525 /nfs/dbraw/zinc/41/25/25/380412525.db2.gz JHIWIYWUSMRALB-CABCVRRESA-N 2 0 335.452 -0.186 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000565488452 380421362 /nfs/dbraw/zinc/42/13/62/380421362.db2.gz JVTSQINIFZVEMU-VXGBXAGGSA-N 2 0 334.424 -0.365 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[C@@H](C)[NH3+] ZINC000638480892 380484694 /nfs/dbraw/zinc/48/46/94/380484694.db2.gz BOLAPKANVYBSEX-ZIAGYGMSSA-N 2 0 325.457 -0.225 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC[C@@H]1C(F)(F)F ZINC000638560366 380513907 /nfs/dbraw/zinc/51/39/07/380513907.db2.gz TUCGVEIALMILMB-OUAUKWLOSA-N 2 0 336.358 -0.160 20 0 EBADRP Cn1cc(S(=O)(=O)NCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cn1 ZINC000567386925 380515254 /nfs/dbraw/zinc/51/52/54/380515254.db2.gz PTVDTWIEUQWKNW-BETUJISGSA-N 2 0 327.454 -0.370 20 0 EBADRP CC(CC[NH+]1CCN(C)C[C@H]1CO)CC[N@@H+]1CCN(C)C[C@H]1CO ZINC000639865919 380515803 /nfs/dbraw/zinc/51/58/03/380515803.db2.gz BDMIPVMVIXTBQC-ROUUACIJSA-N 2 0 342.528 -0.381 20 0 EBADRP CC(CC[NH+]1CCN(C)C[C@@H]1CO)CC[N@@H+]1CCN(C)C[C@@H]1CO ZINC000639865918 380515988 /nfs/dbraw/zinc/51/59/88/380515988.db2.gz BDMIPVMVIXTBQC-QZTJIDSGSA-N 2 0 342.528 -0.381 20 0 EBADRP COCC[N@H+](C)CCNC(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000363221365 380464573 /nfs/dbraw/zinc/46/45/73/380464573.db2.gz PXFMIDYUKLVWMW-MRXNPFEDSA-N 2 0 341.500 -0.014 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[NH+](C)C ZINC000638479633 380481605 /nfs/dbraw/zinc/48/16/05/380481605.db2.gz BEFFTXGIUSWBIE-AWEZNQCLSA-N 2 0 325.457 -0.258 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)C(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000566566405 380482254 /nfs/dbraw/zinc/48/22/54/380482254.db2.gz ICMVUSJFLGDWMQ-UHFFFAOYSA-N 2 0 340.468 -0.232 20 0 EBADRP CC(C)[C@H](C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[C@@H](C)[NH3+] ZINC000638480888 380484282 /nfs/dbraw/zinc/48/42/82/380484282.db2.gz BOLAPKANVYBSEX-KGLIPLIRSA-N 2 0 325.457 -0.225 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000340509933 380524248 /nfs/dbraw/zinc/52/42/48/380524248.db2.gz GKROZZYJQGDHHX-AWEZNQCLSA-N 2 0 340.468 -0.377 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC[C@H](O)C[NH+](C)C1CC1 ZINC000567681986 380535954 /nfs/dbraw/zinc/53/59/54/380535954.db2.gz CNKBSIPVIHLERX-HOTGVXAUSA-N 3 0 326.485 -0.026 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H](C)Cn1ccnc1 ZINC000340652202 380576960 /nfs/dbraw/zinc/57/69/60/380576960.db2.gz WSOLCODKQFOTDK-KGLIPLIRSA-N 2 0 337.424 -0.385 20 0 EBADRP C[C@H](Cn1ccnc1)NC(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000340654845 380577295 /nfs/dbraw/zinc/57/72/95/380577295.db2.gz HYWBUCLKNGNDRQ-CYBMUJFWSA-N 2 0 345.407 -0.545 20 0 EBADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000568167306 380578568 /nfs/dbraw/zinc/57/85/68/380578568.db2.gz FVHHXQKWHWUTSA-BZSNNMDCSA-N 2 0 342.528 -0.117 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000340793875 380632243 /nfs/dbraw/zinc/63/22/43/380632243.db2.gz JRZGUZKPXPQLOV-GJZGRUSLSA-N 2 0 341.500 -0.558 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000572617433 380639657 /nfs/dbraw/zinc/63/96/57/380639657.db2.gz MXOCRCOKWNRJPF-GJZGRUSLSA-N 3 0 327.473 -0.373 20 0 EBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@H]3[NH2+]CCc4ccccc43)CCN2C1=O ZINC000568287772 380594114 /nfs/dbraw/zinc/59/41/14/380594114.db2.gz JPWSRTGWJIYJFP-NUEKZKHPSA-N 2 0 343.431 -0.173 20 0 EBADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000573268218 380667449 /nfs/dbraw/zinc/66/74/49/380667449.db2.gz SMACDWAVBXWMCF-ILXRZTDVSA-N 2 0 337.468 -0.082 20 0 EBADRP [NH3+][C@H]1C[C@@H]2CN(C(=O)NC3CC([NH+]4CCCCC4)C3)CCN2C1=O ZINC000573021580 380654669 /nfs/dbraw/zinc/65/46/69/380654669.db2.gz DWPZPOPXWSFGLZ-CVSAEHQPSA-N 2 0 335.452 -0.043 20 0 EBADRP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174712125 380760080 /nfs/dbraw/zinc/76/00/80/380760080.db2.gz WLRJZBKWWTTWJY-ZDUSSCGKSA-N 2 0 325.457 -0.068 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2C[NH2+]CCN2C)C1 ZINC000580539384 380766922 /nfs/dbraw/zinc/76/69/22/380766922.db2.gz JJMJMJKMHYISCD-HUUCEWRRSA-N 2 0 327.473 -0.454 20 0 EBADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000574813126 380724165 /nfs/dbraw/zinc/72/41/65/380724165.db2.gz QSPKGJZIHXFYAZ-ZIAGYGMSSA-N 2 0 340.468 -0.010 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627410233 380776487 /nfs/dbraw/zinc/77/64/87/380776487.db2.gz BBNLSRSLMOCCES-CQSZACIVSA-N 2 0 340.468 -0.201 20 0 EBADRP COC(=O)C[C@@H](C)N1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000374324431 380789070 /nfs/dbraw/zinc/78/90/70/380789070.db2.gz MDKZHQYCLYUUAY-CABCVRRESA-N 2 0 338.452 -0.528 20 0 EBADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000580569456 380796236 /nfs/dbraw/zinc/79/62/36/380796236.db2.gz QIHHLKAOHAUHLE-IRXDYDNUSA-N 2 0 343.431 -0.094 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1(C)CCOCC1 ZINC000577237681 380813903 /nfs/dbraw/zinc/81/39/03/380813903.db2.gz FDIYLJIDNPFEJG-UHFFFAOYSA-N 2 0 342.484 -0.129 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425378246 380871878 /nfs/dbraw/zinc/87/18/78/380871878.db2.gz BVFIZVCBEJPAQJ-LSDHHAIUSA-N 2 0 340.468 -0.424 20 0 EBADRP CN1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)[C@@H](C[NH3+])C1 ZINC000578005255 380872042 /nfs/dbraw/zinc/87/20/42/380872042.db2.gz XEIIRLSKRIXFJI-CABCVRRESA-N 2 0 337.468 -0.826 20 0 EBADRP CC(C)CN1CCO[C@H](C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000577841430 380843808 /nfs/dbraw/zinc/84/38/08/380843808.db2.gz NGCSWOFRSOXDOK-IAGOWNOFSA-N 3 0 328.501 -0.459 20 0 EBADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)CC[NH2+]CC1 ZINC000578365893 380925367 /nfs/dbraw/zinc/92/53/67/380925367.db2.gz GFFKPXORMVZGOI-CHWSQXEVSA-N 2 0 347.481 -0.069 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000417432138 380887274 /nfs/dbraw/zinc/88/72/74/380887274.db2.gz SHHYYVKUYCWQPQ-KGLIPLIRSA-N 2 0 325.457 -0.020 20 0 EBADRP C[C@H](CNC(=O)N1CCC([N@H+](C)CCO)CC1)N1CCOCC1 ZINC000161823137 380904608 /nfs/dbraw/zinc/90/46/08/380904608.db2.gz PLSYSNALBCHDHW-CQSZACIVSA-N 2 0 328.457 -0.195 20 0 EBADRP CC(=O)N1CCN(C(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)CC1 ZINC000129786272 380914200 /nfs/dbraw/zinc/91/42/00/380914200.db2.gz MBHFNHLWYQAEIO-UHFFFAOYSA-N 2 0 339.484 -0.754 20 0 EBADRP C[NH+](C)CCN(C(=O)NCC(=O)N1CC[NH2+]CC1)C1CCCC1 ZINC000578980475 380962569 /nfs/dbraw/zinc/96/25/69/380962569.db2.gz IDBBAQWVLHAKMG-UHFFFAOYSA-N 2 0 325.457 -0.066 20 0 EBADRP CC(C)[C@H](CNC(=O)C(=O)N(C)CCC[NH3+])N1CC[NH+](C)CC1 ZINC000579735776 381012171 /nfs/dbraw/zinc/01/21/71/381012171.db2.gz QHGCCOJCXZTVOP-AWEZNQCLSA-N 2 0 327.473 -0.818 20 0 EBADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000579853850 381019864 /nfs/dbraw/zinc/01/98/64/381019864.db2.gz DRSLIBHSWABRQL-CQSZACIVSA-N 2 0 325.457 -0.162 20 0 EBADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC[C@H]1C[NH2+]CCO1 ZINC000579479415 380990970 /nfs/dbraw/zinc/99/09/70/380990970.db2.gz PBWPNLRSCJWTLT-OAHLLOKOSA-N 2 0 333.436 -0.302 20 0 EBADRP CS(=O)(=O)C1(C(=O)N2CC3CCC2(C[NH3+])CC3)CC[NH2+]CC1 ZINC000579488010 380995086 /nfs/dbraw/zinc/99/50/86/380995086.db2.gz XEJODZFSNICFLJ-UHFFFAOYSA-N 2 0 329.466 -0.117 20 0 EBADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)C[C@]1(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)CC[NH2+]C1 ZINC000343649737 381008663 /nfs/dbraw/zinc/00/86/63/381008663.db2.gz WTCBQDVWKMXUDC-CVXDVXMKSA-N 3 0 337.468 -0.748 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C2CC[NH+](C)CC2)cn1 ZINC000346361811 381064488 /nfs/dbraw/zinc/06/44/88/381064488.db2.gz CWXZVNGAIYKGGH-UHFFFAOYSA-N 2 0 336.440 -0.159 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000581311710 381067322 /nfs/dbraw/zinc/06/73/22/381067322.db2.gz XSGDLPIWYXUSRL-UFBFGSQYSA-N 2 0 325.438 -0.003 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000582781279 381070782 /nfs/dbraw/zinc/07/07/82/381070782.db2.gz XLAJBVVJWQYRJN-IAGOWNOFSA-N 2 0 332.448 -0.010 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000581364126 381071115 /nfs/dbraw/zinc/07/11/15/381071115.db2.gz BGDWYLSBTNENSZ-HUUCEWRRSA-N 3 0 339.484 -0.994 20 0 EBADRP CC[NH+](CC)CCOCCNC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000582954407 381089867 /nfs/dbraw/zinc/08/98/67/381089867.db2.gz XSYHYQUTISDUKZ-UHFFFAOYSA-N 2 0 329.445 -0.924 20 0 EBADRP C[NH2+]C[C@@H](C)CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000418373223 381111385 /nfs/dbraw/zinc/11/13/85/381111385.db2.gz ZLBYLBPLBAHILM-KGLIPLIRSA-N 2 0 325.457 -0.210 20 0 EBADRP C[C@]12C[N@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C[C@@]1(C)C(=O)NC2=O ZINC000639944983 381153168 /nfs/dbraw/zinc/15/31/68/381153168.db2.gz HADMVJDCYJZLRY-HDICACEKSA-N 2 0 348.447 -0.286 20 0 EBADRP CN1CCN(C(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)[C@H](C[NH3+])C1 ZINC000583312344 381125813 /nfs/dbraw/zinc/12/58/13/381125813.db2.gz GQZKVAGMCQIZPS-KGLIPLIRSA-N 2 0 339.484 -0.676 20 0 EBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+](C4CCCC4)C3)CCN2C1=O ZINC000584541257 381179741 /nfs/dbraw/zinc/17/97/41/381179741.db2.gz ANYDLDLOBUUUEO-BPLDGKMQSA-N 2 0 335.452 -0.043 20 0 EBADRP COC[C@@]1(CNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CCC[NH2+]1 ZINC000418633698 381252228 /nfs/dbraw/zinc/25/22/28/381252228.db2.gz IMZJRTNGBLFWJD-HOCLYGCPSA-N 2 0 328.457 -0.099 20 0 EBADRP Nc1nc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)nc(N)[nH+]1 ZINC000623940994 381230635 /nfs/dbraw/zinc/23/06/35/381230635.db2.gz ICWFWYZKPNTSGV-UHFFFAOYSA-N 2 0 329.408 -0.313 20 0 EBADRP COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000418494496 381245003 /nfs/dbraw/zinc/24/50/03/381245003.db2.gz SHDTUEVMWZKJEX-ZIAGYGMSSA-N 2 0 343.472 -0.550 20 0 EBADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000347960476 381298145 /nfs/dbraw/zinc/29/81/45/381298145.db2.gz HFNFYOOKTMKCQP-HUUCEWRRSA-N 2 0 339.484 -0.851 20 0 EBADRP CC(C)(CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[NH+]1CCCCC1 ZINC000418845081 381302834 /nfs/dbraw/zinc/30/28/34/381302834.db2.gz UTVKZTUCLFCFIC-CYBMUJFWSA-N 2 0 326.441 -0.447 20 0 EBADRP Cc1ccc([C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[NH+](C)C)cc1 ZINC000418805591 381278605 /nfs/dbraw/zinc/27/86/05/381278605.db2.gz BPNCRJKZXVBELS-OAHLLOKOSA-N 2 0 336.436 -0.506 20 0 EBADRP C[NH+](C)CC1(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CCCC1 ZINC000418811213 381281007 /nfs/dbraw/zinc/28/10/07/381281007.db2.gz VLVUSVSIIILTEI-ZDUSSCGKSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418869772 381321782 /nfs/dbraw/zinc/32/17/82/381321782.db2.gz XJMJUQZGMPEUCG-HNNXBMFYSA-N 2 0 347.463 -0.616 20 0 EBADRP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418870304 381321948 /nfs/dbraw/zinc/32/19/48/381321948.db2.gz YKCGCJXYJIWADO-CVEARBPZSA-N 2 0 346.431 -0.518 20 0 EBADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000418883962 381333592 /nfs/dbraw/zinc/33/35/92/381333592.db2.gz WCYDTIMLKGJIGE-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000418933303 381345143 /nfs/dbraw/zinc/34/51/43/381345143.db2.gz ZODQGEHWEUXFAP-HUUCEWRRSA-N 2 0 340.468 -0.425 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)C1 ZINC000418912504 381346458 /nfs/dbraw/zinc/34/64/58/381346458.db2.gz DEXYFDKNDCBSLD-KBPBESRZSA-N 2 0 328.457 -0.441 20 0 EBADRP CCC[NH2+]CCNC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000418913399 381346634 /nfs/dbraw/zinc/34/66/34/381346634.db2.gz DSSLFYFJVNNIRV-CQSZACIVSA-N 2 0 328.457 -0.425 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000418916722 381346703 /nfs/dbraw/zinc/34/67/03/381346703.db2.gz HPDNYMAEHXTFAC-KGLIPLIRSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419026302 381356021 /nfs/dbraw/zinc/35/60/21/381356021.db2.gz NJDUEPZBPICSSW-CABCVRRESA-N 2 0 339.484 -0.756 20 0 EBADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419033171 381357743 /nfs/dbraw/zinc/35/77/43/381357743.db2.gz XZQLGNZNHHCHBY-LJISPDSOSA-N 2 0 340.468 -0.345 20 0 EBADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419028071 381358301 /nfs/dbraw/zinc/35/83/01/381358301.db2.gz PULNXKHSQZZYNB-XGUBFFRZSA-N 2 0 340.468 -0.426 20 0 EBADRP CNc1nc(NCC2([NH+](C)C)CC2)nc(NCC2([NH+](C)C)CC2)n1 ZINC000419006937 381359354 /nfs/dbraw/zinc/35/93/54/381359354.db2.gz JEDKHCGCDFOCGI-UHFFFAOYSA-N 2 0 334.472 -0.809 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)C1 ZINC000418931262 381343400 /nfs/dbraw/zinc/34/34/00/381343400.db2.gz YBEFLIVPWVYOFP-KGLIPLIRSA-N 2 0 326.441 -0.720 20 0 EBADRP [NH3+]CCCNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419169824 381390867 /nfs/dbraw/zinc/39/08/67/381390867.db2.gz VMTDCMLTOOSKLQ-INIZCTEOSA-N 2 0 348.447 -0.141 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000419145598 381397363 /nfs/dbraw/zinc/39/73/63/381397363.db2.gz GTCKAMRSOXVUEB-ZIAGYGMSSA-N 2 0 326.441 -0.591 20 0 EBADRP CC1=CC[N@H+](CCNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000419225899 381401924 /nfs/dbraw/zinc/40/19/24/381401924.db2.gz PWKXRHHHGNYXAM-KBPBESRZSA-N 2 0 338.452 -0.016 20 0 EBADRP CO[C@@H](C[NH3+])CC(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000583500287 381424156 /nfs/dbraw/zinc/42/41/56/381424156.db2.gz RZZDETCMEFYJLJ-LLVKDONJSA-N 2 0 330.410 -0.774 20 0 EBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)CCOC2C[NH2+]C2)c1 ZINC000349008634 381428734 /nfs/dbraw/zinc/42/87/34/381428734.db2.gz WHTORGMEHFTLKY-UHFFFAOYSA-N 2 0 348.447 -0.027 20 0 EBADRP C[N@H+](CCCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)C1CCCCC1 ZINC000419405091 381428879 /nfs/dbraw/zinc/42/88/79/381428879.db2.gz HEXQQAJVNDNNST-HNNXBMFYSA-N 2 0 340.468 -0.138 20 0 EBADRP [NH3+]CCN(CCO)C(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000419421147 381434114 /nfs/dbraw/zinc/43/41/14/381434114.db2.gz LHLKZUICJSXLKZ-UHFFFAOYSA-N 2 0 348.447 -0.669 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000419554568 381451021 /nfs/dbraw/zinc/45/10/21/381451021.db2.gz IBEPDSKSSOKOLB-WUHRBBMRSA-N 2 0 326.441 -0.186 20 0 EBADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000419538226 381451218 /nfs/dbraw/zinc/45/12/18/381451218.db2.gz OOSHPMZJXBWFJM-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H](CCNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)[NH+]1CCCCC1 ZINC000419715472 381477247 /nfs/dbraw/zinc/47/72/47/381477247.db2.gz PEZBOVKEHTZYLW-KBPBESRZSA-N 2 0 326.441 -0.447 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000419718408 381479016 /nfs/dbraw/zinc/47/90/16/381479016.db2.gz AWMSWYKEBGNUBA-AWEZNQCLSA-N 2 0 326.441 -0.528 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000419726513 381481162 /nfs/dbraw/zinc/48/11/62/381481162.db2.gz KFIDVGYNRUKAST-CYBMUJFWSA-N 2 0 326.441 -0.399 20 0 EBADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+](C)CCOC ZINC000419678601 381481593 /nfs/dbraw/zinc/48/15/93/381481593.db2.gz OKIVRFDKGVBWFX-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000419552633 381452679 /nfs/dbraw/zinc/45/26/79/381452679.db2.gz YYBULVJZJNTMQZ-ZIAGYGMSSA-N 2 0 340.468 -0.188 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000419548128 381453412 /nfs/dbraw/zinc/45/34/12/381453412.db2.gz SJRUHXKLNVWVSO-ZNMIVQPWSA-N 2 0 340.468 -0.058 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])CCSC1 ZINC000419575786 381457357 /nfs/dbraw/zinc/45/73/57/381457357.db2.gz BONJCUNIGFQKJV-WFASDCNBSA-N 2 0 328.482 -0.120 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CCSC1 ZINC000419575782 381457725 /nfs/dbraw/zinc/45/77/25/381457725.db2.gz BONJCUNIGFQKJV-IUODEOHRSA-N 2 0 328.482 -0.120 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)[C@@H](C)C[NH2+]1 ZINC000419585388 381459056 /nfs/dbraw/zinc/45/90/56/381459056.db2.gz NEERCOPJTCMNAR-XUJVJEKNSA-N 2 0 328.482 -0.251 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419595370 381461011 /nfs/dbraw/zinc/46/10/11/381461011.db2.gz WIYMMNWSLFLOAT-UONOGXRCSA-N 2 0 326.441 -0.528 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C[C@@H](C)[NH2+]1 ZINC000419591128 381461199 /nfs/dbraw/zinc/46/11/99/381461199.db2.gz VECCOORBNXCRKP-JMSVASOKSA-N 2 0 328.482 -0.251 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000419592603 381461911 /nfs/dbraw/zinc/46/19/11/381461911.db2.gz SJUAYSQUDYRDDF-KFWWJZLASA-N 2 0 340.468 -0.058 20 0 EBADRP C[NH+](C)CCOc1ccc(CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000419657179 381465914 /nfs/dbraw/zinc/46/59/14/381465914.db2.gz JDNHYXBGQQYDLP-OAHLLOKOSA-N 2 0 348.447 -0.236 20 0 EBADRP CC(C)(CNC(=O)C(=O)NCCN1CC[NH2+]CC1)C[NH+]1CCCC1 ZINC000419663292 381466297 /nfs/dbraw/zinc/46/62/97/381466297.db2.gz JQTMRYQWLJQOKW-UHFFFAOYSA-N 2 0 339.484 -0.754 20 0 EBADRP CC(C)(CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)C[NH+]1CCCC1 ZINC000419661290 381466460 /nfs/dbraw/zinc/46/64/60/381466460.db2.gz FGQQYEKUUDGXBS-CYBMUJFWSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@H](NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)C1=CC[N@H+](C)CC1 ZINC000419633698 381470243 /nfs/dbraw/zinc/47/02/43/381470243.db2.gz ZJDJIBQYUXOFAQ-SCRDCRAPSA-N 2 0 338.452 -0.018 20 0 EBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419855301 381508466 /nfs/dbraw/zinc/50/84/66/381508466.db2.gz QGFVDMFUJHFMDN-CQSZACIVSA-N 2 0 327.473 -0.756 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C[C@H](C)O1 ZINC000419862207 381510965 /nfs/dbraw/zinc/51/09/65/381510965.db2.gz MVYXQFDNVQCNIV-MBNYWOFBSA-N 2 0 326.441 -0.545 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000419889079 381516577 /nfs/dbraw/zinc/51/65/77/381516577.db2.gz KRYSMSBOXCTNQA-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000419889841 381517008 /nfs/dbraw/zinc/51/70/08/381517008.db2.gz SFZOXNGRGQGIDY-HUUCEWRRSA-N 2 0 339.484 -0.756 20 0 EBADRP CCCN(C(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1)[C@@H]1CC[NH2+]C1 ZINC000419736276 381491595 /nfs/dbraw/zinc/49/15/95/381491595.db2.gz XBIMPSYCOOOUIO-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP CCCN(C(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1)[C@H]1CC[NH2+]C1 ZINC000419736271 381492032 /nfs/dbraw/zinc/49/20/32/381492032.db2.gz XBIMPSYCOOOUIO-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CCCO1 ZINC000419729707 381492579 /nfs/dbraw/zinc/49/25/79/381492579.db2.gz IOVGXENWHFVDEZ-LSDHHAIUSA-N 2 0 338.452 -0.304 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000419813498 381496704 /nfs/dbraw/zinc/49/67/04/381496704.db2.gz HDHBSCRUHRCCII-LSDHHAIUSA-N 2 0 339.484 -0.804 20 0 EBADRP C[C@H](CNC(=O)NCCN1CCOC[C@@H]1C)CN1CCOCC1 ZINC000350094542 381501439 /nfs/dbraw/zinc/50/14/39/381501439.db2.gz IGENMRSGGIVNHA-CABCVRRESA-N 2 0 328.457 -0.025 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000420076992 381537218 /nfs/dbraw/zinc/53/72/18/381537218.db2.gz MUPGQGIKPJBCDX-UHFFFAOYSA-N 2 0 335.408 -0.408 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000420101268 381540605 /nfs/dbraw/zinc/54/06/05/381540605.db2.gz LWABMSAUMBLRSZ-UHFFFAOYSA-N 2 0 348.447 -0.057 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000420150196 381548894 /nfs/dbraw/zinc/54/88/94/381548894.db2.gz WPWGCHMNNXAEBG-ILXRZTDVSA-N 2 0 340.468 -0.330 20 0 EBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000419982501 381526064 /nfs/dbraw/zinc/52/60/64/381526064.db2.gz SZKHOZWNTCHTKM-HNNXBMFYSA-N 2 0 340.468 -0.343 20 0 EBADRP CN1CCN(C(=O)CC[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000420315855 381578273 /nfs/dbraw/zinc/57/82/73/381578273.db2.gz SAUMDIFYBNUXDH-OAHLLOKOSA-N 3 0 339.484 -0.530 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000420169253 381554441 /nfs/dbraw/zinc/55/44/41/381554441.db2.gz QIHNSRUZTOJLHK-UHFFFAOYSA-N 2 0 342.484 -0.081 20 0 EBADRP Cc1nc2cc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)ccc2n1C ZINC000608512510 381557533 /nfs/dbraw/zinc/55/75/33/381557533.db2.gz KIAOMYNKPLJNPW-GFCCVEGCSA-N 2 0 333.392 -0.141 20 0 EBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420186026 381564569 /nfs/dbraw/zinc/56/45/69/381564569.db2.gz KPLJDHPIWLEFDK-OAHLLOKOSA-N 2 0 340.468 -0.185 20 0 EBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000074254046 381606429 /nfs/dbraw/zinc/60/64/29/381606429.db2.gz QZUYSJJRXLKDQG-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP COC1CC[NH+](C(C)(C)CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351520589 381634408 /nfs/dbraw/zinc/63/44/08/381634408.db2.gz HGJVQPSUBYZMTC-CQSZACIVSA-N 2 0 340.468 -0.140 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351530945 381637252 /nfs/dbraw/zinc/63/72/52/381637252.db2.gz CEQYXMAIIJSKHB-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000351530947 381638925 /nfs/dbraw/zinc/63/89/25/381638925.db2.gz CEQYXMAIIJSKHB-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000572111617 381641001 /nfs/dbraw/zinc/64/10/01/381641001.db2.gz MPHCNUWVJMCSAG-LSDHHAIUSA-N 3 0 339.484 -0.994 20 0 EBADRP CC[C@H]1CN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+]1CCOC ZINC000351556408 381643917 /nfs/dbraw/zinc/64/39/17/381643917.db2.gz OCOUEQFDGZGGIP-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000351859029 381685468 /nfs/dbraw/zinc/68/54/68/381685468.db2.gz ZLDXEBPCWWNJSI-NEPJUHHUSA-N 2 0 334.424 -0.507 20 0 EBADRP CN1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000331955392 381733681 /nfs/dbraw/zinc/73/36/81/381733681.db2.gz ABLFXPYRVPELJB-KFWWJZLASA-N 2 0 338.452 -0.624 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000332959889 381752808 /nfs/dbraw/zinc/75/28/08/381752808.db2.gz UVNDLHXNGPPREZ-ZFWWWQNUSA-N 2 0 329.514 -0.031 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C[C@@H]1[NH3+] ZINC000332143782 381756241 /nfs/dbraw/zinc/75/62/41/381756241.db2.gz OCCOBVCSBHFIMA-GUTXKFCHSA-N 2 0 338.452 -0.496 20 0 EBADRP C[NH+]1CCN(CCNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000351971167 381854613 /nfs/dbraw/zinc/85/46/13/381854613.db2.gz QCMIHAINCVNNDP-UHFFFAOYSA-N 2 0 346.479 -0.189 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)cn1 ZINC000626851192 381902909 /nfs/dbraw/zinc/90/29/09/381902909.db2.gz MVNLPGBEEIYFOU-ZDUSSCGKSA-N 2 0 334.424 -0.216 20 0 EBADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000627397138 381926282 /nfs/dbraw/zinc/92/62/82/381926282.db2.gz FMSHYLZTLAWIHG-HUUCEWRRSA-N 2 0 334.420 -0.490 20 0 EBADRP C[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC[N@@H+]1CC(C)(C)O ZINC000333786780 381959494 /nfs/dbraw/zinc/95/94/94/381959494.db2.gz FMSPFZQGLYOBFA-ZIAGYGMSSA-N 2 0 328.457 -0.149 20 0 EBADRP C[C@@H](C(=O)NCCN(C)CCC[NH+](C)C)n1cnc2c1ncnc2N ZINC000617761954 381965810 /nfs/dbraw/zinc/96/58/10/381965810.db2.gz CPAGKLUAUCRKNN-LBPRGKRZSA-N 2 0 348.455 -0.031 20 0 EBADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000643536190 382049486 /nfs/dbraw/zinc/04/94/86/382049486.db2.gz NRNQBFFYSUIYTI-CABCVRRESA-N 2 0 340.468 -0.105 20 0 EBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000583672068 382103301 /nfs/dbraw/zinc/10/33/01/382103301.db2.gz ISAPCADIYUXOHW-KGLIPLIRSA-N 2 0 337.486 -0.813 20 0 EBADRP Cn1cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(=O)n(C)c1=O ZINC000640334816 382087600 /nfs/dbraw/zinc/08/76/00/382087600.db2.gz SISRZEZPUREDEV-UHFFFAOYSA-N 2 0 340.428 -0.959 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)cn1 ZINC000444269796 382145470 /nfs/dbraw/zinc/14/54/70/382145470.db2.gz NKBIDMFGZBNKPH-XJKSGUPXSA-N 2 0 334.424 -0.501 20 0 EBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000331661728 285206922 /nfs/dbraw/zinc/20/69/22/285206922.db2.gz OWLOGTDFLQKGIC-QWHCGFSZSA-N 2 0 326.441 -0.230 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1CCOCC1=O ZINC000344390067 285243629 /nfs/dbraw/zinc/24/36/29/285243629.db2.gz DJACNMHZSKCEFN-OAHLLOKOSA-N 2 0 340.468 -0.280 20 0 EBADRP O=S1(=O)C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@@H](N2CCOCC2)C1 ZINC000329403859 155224299 /nfs/dbraw/zinc/22/42/99/155224299.db2.gz WVHXQWJTGDNLNI-UGUYLWEFSA-N 2 0 343.493 -0.299 20 0 EBADRP C[NH+]1CCCN(C(=O)COCC(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000329403555 155224953 /nfs/dbraw/zinc/22/49/53/155224953.db2.gz ZUTRGYAROSFSII-UHFFFAOYSA-N 2 0 326.441 -0.669 20 0 EBADRP OC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(C[NH+]2C[C@@H](O)C[C@H]2CO)cc1 ZINC000249293334 154192387 /nfs/dbraw/zinc/19/23/87/154192387.db2.gz LNBQWYASLWMKTL-USTZCAOPSA-N 2 0 336.432 -0.458 20 0 EBADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000261718839 154197738 /nfs/dbraw/zinc/19/77/38/154197738.db2.gz QLIRUIXNBPRNGT-CYBMUJFWSA-N 2 0 329.404 -0.019 20 0 EBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C[C@@H](C)O1 ZINC000261735753 154199772 /nfs/dbraw/zinc/19/97/72/154199772.db2.gz NLAHRXGCZYRXRA-MGPQQGTHSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C[C@H](C)O1 ZINC000261735751 154200153 /nfs/dbraw/zinc/20/01/53/154200153.db2.gz NLAHRXGCZYRXRA-HZSPNIEDSA-N 2 0 326.441 -0.591 20 0 EBADRP Cn1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(=O)[nH]c1=O ZINC000264924064 154299957 /nfs/dbraw/zinc/29/99/57/154299957.db2.gz QOSQWYVESULKLD-UHFFFAOYSA-N 2 0 339.440 -0.169 20 0 EBADRP COc1cc(C[NH+](CCO)CCO)cc(C[NH+](CCO)CCO)c1 ZINC000292558433 155034902 /nfs/dbraw/zinc/03/49/02/155034902.db2.gz HWAOMIWOPXFEHJ-UHFFFAOYSA-N 2 0 342.436 -0.732 20 0 EBADRP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333489824 155519707 /nfs/dbraw/zinc/51/97/07/155519707.db2.gz DECMGIHMIFFQMV-GRYCIOLGSA-N 2 0 335.374 -0.174 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)[NH+](C)C2CC2)C1 ZINC000342069787 156005760 /nfs/dbraw/zinc/00/57/60/156005760.db2.gz YBGGIWJXHGZKBT-CHWSQXEVSA-N 2 0 326.441 -0.578 20 0 EBADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000342698807 156053440 /nfs/dbraw/zinc/05/34/40/156053440.db2.gz HXYHMRHPGWBYJF-JSGCOSHPSA-N 2 0 336.440 -0.113 20 0 EBADRP CNc1nc(N2CCC[NH+](C)CC2)nc(N2CCC[N@H+](C)CC2)n1 ZINC000343868025 156175491 /nfs/dbraw/zinc/17/54/91/156175491.db2.gz VKIBVSKWJGIPFG-UHFFFAOYSA-N 2 0 334.472 -0.381 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](CCOC)C1 ZINC000343887614 156177770 /nfs/dbraw/zinc/17/77/70/156177770.db2.gz JSOAPPRJMMVLLY-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000343895500 156179779 /nfs/dbraw/zinc/17/97/79/156179779.db2.gz UQODFYKECIJTRQ-QLFBSQMISA-N 2 0 340.468 -0.378 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C2CC2)C1 ZINC000343898556 156182031 /nfs/dbraw/zinc/18/20/31/156182031.db2.gz ZOFRVOGSDQUAFX-ZDUSSCGKSA-N 2 0 326.441 -0.624 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2C[NH+](C3CC3)C[C@@H]2C)C1 ZINC000343898677 156183651 /nfs/dbraw/zinc/18/36/51/156183651.db2.gz ZWUFHMBMZHPZQX-YDHLFZDLSA-N 2 0 338.452 -0.578 20 0 EBADRP CC[NH+]1CCN(CC(=O)N2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC000344389496 156222633 /nfs/dbraw/zinc/22/26/33/156222633.db2.gz IOBHHBUSBXNNKH-UHFFFAOYSA-N 2 0 337.512 -0.136 20 0 EBADRP CC[N@@H+]1CCCN(C(=O)C(=O)NCC2CC[NH+](CCO)CC2)CC1 ZINC000344687653 156255375 /nfs/dbraw/zinc/25/53/75/156255375.db2.gz UEUKICKPHYSQSL-UHFFFAOYSA-N 2 0 340.468 -0.639 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000356950031 157108350 /nfs/dbraw/zinc/10/83/50/157108350.db2.gz VKQQABVBHKMBPX-LLVKDONJSA-N 2 0 327.429 -0.780 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCC[NH+](C)[C@@H]1C ZINC000357583091 157155644 /nfs/dbraw/zinc/15/56/44/157155644.db2.gz USWQHTXEXCYLIX-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)cc21 ZINC000357901482 157185396 /nfs/dbraw/zinc/18/53/96/157185396.db2.gz DHRDBOFUBKRFLR-NEPJUHHUSA-N 2 0 334.376 -0.183 20 0 EBADRP C[NH+]1CCN(CCOc2ccc(NC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)cc2)CC1 ZINC000357917113 157187706 /nfs/dbraw/zinc/18/77/06/157187706.db2.gz IMRLBYZPHXMKLG-WBVHZDCISA-N 2 0 348.447 -0.026 20 0 EBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000357931899 157189929 /nfs/dbraw/zinc/18/99/29/157189929.db2.gz XCKFZHASPZNZCO-UONOGXRCSA-N 2 0 340.468 -0.548 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCO[C@H](C[NH3+])C2)C1 ZINC000358140017 157214618 /nfs/dbraw/zinc/21/46/18/157214618.db2.gz TYXISTNRTJSKTF-CABCVRRESA-N 2 0 328.457 -0.881 20 0 EBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC[NH+](C)CCOC)C1 ZINC000358555690 157258234 /nfs/dbraw/zinc/25/82/34/157258234.db2.gz BUJITQUBPDWHBS-AWEZNQCLSA-N 2 0 328.457 -0.519 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000358569403 157261007 /nfs/dbraw/zinc/26/10/07/157261007.db2.gz LJDJIHZCKFQZTM-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC[NH+](C(C)C)CC1 ZINC000358575684 157263555 /nfs/dbraw/zinc/26/35/55/157263555.db2.gz VJXYDIWDNLKZGP-UHFFFAOYSA-N 2 0 328.457 -0.377 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000358581724 157264481 /nfs/dbraw/zinc/26/44/81/157264481.db2.gz XTWXNYQMBOEJSS-ZIAGYGMSSA-N 2 0 328.457 -0.378 20 0 EBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCCN1CCOC[C@H]1C ZINC000359264460 157306836 /nfs/dbraw/zinc/30/68/36/157306836.db2.gz OXIYPHHBPUWXKI-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000359261050 157307672 /nfs/dbraw/zinc/30/76/72/157307672.db2.gz JHGBAXNFEFMODH-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000359261762 157308400 /nfs/dbraw/zinc/30/84/00/157308400.db2.gz LJSRCRBHAMULMT-KGLIPLIRSA-N 2 0 327.473 -0.805 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000360274653 157370459 /nfs/dbraw/zinc/37/04/59/157370459.db2.gz ZERQOKLHLHEWSL-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@H]1C[C@H](NC(=O)C(=O)NCCOCC[NH+](C)C)C[N@@H+]1C1CC1 ZINC000360279289 157371561 /nfs/dbraw/zinc/37/15/61/157371561.db2.gz NTVKAPAJPWJGRZ-STQMWFEESA-N 2 0 326.441 -0.578 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000360277518 157371796 /nfs/dbraw/zinc/37/17/96/157371796.db2.gz CNYZMLLPJNYQIY-UONOGXRCSA-N 2 0 326.441 -0.767 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000360277517 157372355 /nfs/dbraw/zinc/37/23/55/157372355.db2.gz CNYZMLLPJNYQIY-KGLIPLIRSA-N 2 0 326.441 -0.767 20 0 EBADRP CC[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC[N@@H+]1C[C@@H](C)O ZINC000333810901 287141977 /nfs/dbraw/zinc/14/19/77/287141977.db2.gz JGNVCDHTCCXMRZ-RBSFLKMASA-N 2 0 328.457 -0.149 20 0 EBADRP Cc1nnc(CN(C)CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1C ZINC000530658032 418964537 /nfs/dbraw/zinc/96/45/37/418964537.db2.gz MUSPWLOAWZSQEU-UHFFFAOYSA-N 2 0 339.488 -0.493 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000419884654 419021715 /nfs/dbraw/zinc/02/17/15/419021715.db2.gz XTGVKVNEWOIWPI-LJISPDSOSA-N 2 0 340.468 -0.012 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000419884655 419022192 /nfs/dbraw/zinc/02/21/92/419022192.db2.gz XTGVKVNEWOIWPI-LXTVHRRPSA-N 2 0 340.468 -0.012 20 0 EBADRP CC[NH+](CC)CCN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CCS(=O)(=O)C1 ZINC000648149362 418983868 /nfs/dbraw/zinc/98/38/68/418983868.db2.gz WVJLNCGYOBHHOF-BYNSBNAKSA-N 2 0 343.493 -0.191 20 0 EBADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCN1C(=O)NC(C)(C)C1=O ZINC000174714709 419107706 /nfs/dbraw/zinc/10/77/06/419107706.db2.gz OPCBJJIJIPKDAB-UHFFFAOYSA-N 2 0 325.457 -0.114 20 0 EBADRP C[C@H]([C@H](C)NC(=O)C(=O)N1CCC(CC[NH3+])CC1)N1CCOCC1 ZINC000652690756 419062599 /nfs/dbraw/zinc/06/25/99/419062599.db2.gz NHWDYKSACFVCMY-UONOGXRCSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@H](NC(=O)C(=O)N1CCC(CC[NH3+])CC1)[C@H](C)N1CCOCC1 ZINC000652690754 419063342 /nfs/dbraw/zinc/06/33/42/419063342.db2.gz NHWDYKSACFVCMY-KBPBESRZSA-N 2 0 340.468 -0.201 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650675914 419063519 /nfs/dbraw/zinc/06/35/19/419063519.db2.gz UKQHXUDRLGPGIS-UHFFFAOYSA-N 2 0 343.472 -0.630 20 0 EBADRP CC1(C)NC(=O)CC[C@@H]1[NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000644537932 419169969 /nfs/dbraw/zinc/16/99/69/419169969.db2.gz HQOLJOTYTWUMRJ-KBPBESRZSA-N 2 0 338.452 -0.434 20 0 EBADRP CN1CCN(C)[C@@H](C[NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000644559449 419170211 /nfs/dbraw/zinc/17/02/11/419170211.db2.gz PCCOBAJAFYFCFJ-KBPBESRZSA-N 2 0 346.431 -0.521 20 0 EBADRP CCS(=O)(=O)N1CC(C[NH2+]C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000644627773 419171633 /nfs/dbraw/zinc/17/16/33/419171633.db2.gz XTLAMBJYYNHFPX-VNHYZAJKSA-N 2 0 349.497 -0.672 20 0 EBADRP C[NH+](C)CCN1CCN(C(=O)NCC2([NH+](C)C)CCC2)CC1=O ZINC000651048473 419174901 /nfs/dbraw/zinc/17/49/01/419174901.db2.gz JDAPLGQSUBJJFH-UHFFFAOYSA-N 2 0 325.457 -0.114 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000651221776 419181782 /nfs/dbraw/zinc/18/17/82/419181782.db2.gz BLNBSXIMOAIMFN-KGLIPLIRSA-N 2 0 346.497 -0.447 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C[NH+](CC)CC)C[C@H]1C[NH3+] ZINC000652667986 419247703 /nfs/dbraw/zinc/24/77/03/419247703.db2.gz JZCQEEFWMVGXNR-BFHYXJOUSA-N 2 0 328.457 -0.345 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652671853 419247729 /nfs/dbraw/zinc/24/77/29/419247729.db2.gz QLUGWRZQSWTEIA-REWJHTLYSA-N 2 0 326.441 -0.593 20 0 EBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NCCC2(C[NH3+])CC2)CC1(C)C ZINC000652678634 419250475 /nfs/dbraw/zinc/25/04/75/419250475.db2.gz JXAWHXVGPIRKIM-UHFFFAOYSA-N 2 0 339.484 -0.626 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCC(C)CC2)C[C@H]1C[NH3+] ZINC000652682785 419251198 /nfs/dbraw/zinc/25/11/98/419251198.db2.gz UYNFYLZHAHGJLU-HUUCEWRRSA-N 2 0 340.468 -0.343 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C[C@H]1C[NH3+] ZINC000652681183 419251499 /nfs/dbraw/zinc/25/14/99/419251499.db2.gz DCVRJJDEGXFQQU-MYZSUADSSA-N 2 0 338.452 -0.593 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCCN1C(=O)CCC1=O ZINC000531357954 419229044 /nfs/dbraw/zinc/22/90/44/419229044.db2.gz WBVSQQJXCVZGPB-UHFFFAOYSA-N 2 0 326.441 -0.133 20 0 EBADRP [NH3+]CC1(CCNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000652232196 419230804 /nfs/dbraw/zinc/23/08/04/419230804.db2.gz SZXYNTCVTGYXBQ-AWEZNQCLSA-N 2 0 337.468 -0.031 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cn1 ZINC000652622995 419241434 /nfs/dbraw/zinc/24/14/34/419241434.db2.gz YXJHBPCBDZNDSR-BETUJISGSA-N 2 0 334.424 -0.264 20 0 EBADRP C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@H]1C[NH3+] ZINC000652624591 419241958 /nfs/dbraw/zinc/24/19/58/419241958.db2.gz LACNBEGMTIOFNQ-CHWSQXEVSA-N 2 0 336.440 -0.174 20 0 EBADRP COC(=O)[C@@H]1CN(C)CC[N@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000411920920 419297478 /nfs/dbraw/zinc/29/74/78/419297478.db2.gz RSRQSTQBHBLBMG-CQSZACIVSA-N 2 0 326.441 -0.813 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)C1 ZINC000645233288 419300582 /nfs/dbraw/zinc/30/05/82/419300582.db2.gz KWYPNQORCPCCCY-KGLIPLIRSA-N 2 0 341.456 -0.532 20 0 EBADRP C[NH+](C)CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000531571308 419270751 /nfs/dbraw/zinc/27/07/51/419270751.db2.gz UNHQACJQSOLJRR-KGLIPLIRSA-N 2 0 331.482 -0.095 20 0 EBADRP CC[C@H]1C[N@H+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC[C@H]1[NH3+] ZINC000647936934 419328310 /nfs/dbraw/zinc/32/83/10/419328310.db2.gz NQPRRUWTZUHTRL-NWDGAFQWSA-N 2 0 334.424 -0.507 20 0 EBADRP CC(=O)N1CCN(CC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000647909102 419319776 /nfs/dbraw/zinc/31/97/76/419319776.db2.gz MFBDRXIOEGDTSP-UHFFFAOYSA-N 2 0 326.485 -0.025 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)C[C@H]1C[NH3+] ZINC000652731695 419332503 /nfs/dbraw/zinc/33/25/03/419332503.db2.gz RINNOXYJYMSGBF-ZIAGYGMSSA-N 2 0 340.468 -0.249 20 0 EBADRP [NH3+]CCN(CCO)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000342399823 419396387 /nfs/dbraw/zinc/39/63/87/419396387.db2.gz LAWFXVBDLBBXMB-UHFFFAOYSA-N 2 0 342.484 -0.609 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000647996095 419463529 /nfs/dbraw/zinc/46/35/29/419463529.db2.gz OOOGDWZXJINZIG-JYJNAYRXSA-N 2 0 341.500 -0.424 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H](C)[NH2+]1 ZINC000519381553 419522928 /nfs/dbraw/zinc/52/29/28/419522928.db2.gz WCIMFHXUTVXLJL-KBPBESRZSA-N 3 0 327.473 -0.853 20 0 EBADRP COC[C@@H]1CN([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C[C@@H](C)O1 ZINC000527367633 419528944 /nfs/dbraw/zinc/52/89/44/419528944.db2.gz VEQHUFVIQGLXFQ-HZSPNIEDSA-N 2 0 327.425 -0.199 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000519827298 419545032 /nfs/dbraw/zinc/54/50/32/419545032.db2.gz YRBAOELNVPIRNJ-ROUUACIJSA-N 2 0 346.475 -0.015 20 0 EBADRP C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C(=O)N1CCCC[C@H]1C ZINC000518964606 419509996 /nfs/dbraw/zinc/50/99/96/419509996.db2.gz BSHCTDZEYRWLKG-PMPSAXMXSA-N 2 0 326.485 -0.026 20 0 EBADRP COC(=O)[C@]1(C)CC[N@@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000532349528 419604011 /nfs/dbraw/zinc/60/40/11/419604011.db2.gz GEKRPDMGEFXINN-BLLLJJGKSA-N 2 0 325.409 -0.049 20 0 EBADRP C[C@H](NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)[C@H]1CN(C)CCO1 ZINC000655709953 419620832 /nfs/dbraw/zinc/62/08/32/419620832.db2.gz QJKCAEHIRFBWSN-RRFJBIMHSA-N 2 0 328.457 -0.149 20 0 EBADRP C[C@H](NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)[C@H]1CN(C)CCO1 ZINC000655709893 419620901 /nfs/dbraw/zinc/62/09/01/419620901.db2.gz OKQNVYKWPSYAMJ-LJISPDSOSA-N 2 0 328.457 -0.198 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000358557244 419676448 /nfs/dbraw/zinc/67/64/48/419676448.db2.gz HMKCEQKQHPSRJZ-CQSZACIVSA-N 2 0 342.484 -0.131 20 0 EBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659711260 419773119 /nfs/dbraw/zinc/77/31/19/419773119.db2.gz YMXSOIHJNMQMBW-UONOGXRCSA-N 2 0 327.473 -0.900 20 0 EBADRP C[C@@H]1CC[C@@H](C(N)=O)C[NH+]1CC(O)C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000181799895 419781586 /nfs/dbraw/zinc/78/15/86/419781586.db2.gz FYQKXTPEBJJCHD-PFNKYVCDSA-N 2 0 340.468 -0.481 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CCO1 ZINC000659714253 419784091 /nfs/dbraw/zinc/78/40/91/419784091.db2.gz SLRKNUMADPXKPA-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CCO1 ZINC000659714254 419784665 /nfs/dbraw/zinc/78/46/65/419784665.db2.gz SLRKNUMADPXKPA-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419921961 419819904 /nfs/dbraw/zinc/81/99/04/419819904.db2.gz YSEHKCZDIAKTCB-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000419955250 419827758 /nfs/dbraw/zinc/82/77/58/419827758.db2.gz MWVNONORSUGDIQ-LBPRGKRZSA-N 2 0 335.408 -0.550 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420013020 419832467 /nfs/dbraw/zinc/83/24/67/419832467.db2.gz BMLOWXMPECIBMW-KGLIPLIRSA-N 2 0 328.457 -0.343 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000420051064 419835651 /nfs/dbraw/zinc/83/56/51/419835651.db2.gz ZXCVDZSWKRULLB-HUUCEWRRSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000420050620 419835866 /nfs/dbraw/zinc/83/58/66/419835866.db2.gz ZHCKPCGYENFSBH-RWMBFGLXSA-N 2 0 326.441 -0.232 20 0 EBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000420024707 419837630 /nfs/dbraw/zinc/83/76/30/419837630.db2.gz ZBWMEVMBBGKWDA-MCIONIFRSA-N 2 0 328.457 -0.299 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)C[C@H]2CCC[NH+]2C)C1 ZINC000422301033 419879413 /nfs/dbraw/zinc/87/94/13/419879413.db2.gz WAOAOFMDDKRWPO-ZIAGYGMSSA-N 2 0 326.441 -0.624 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC[NH2+]1 ZINC000423127802 419921276 /nfs/dbraw/zinc/92/12/76/419921276.db2.gz KDANFYBTCNCYTM-AWEZNQCLSA-N 2 0 339.484 -0.709 20 0 EBADRP CN(CC[NH3+])C(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000423270251 419928134 /nfs/dbraw/zinc/92/81/34/419928134.db2.gz HYKYCQVMJNNNTA-AWEZNQCLSA-N 2 0 325.457 -0.968 20 0 EBADRP C[NH+](C)Cc1ccc(CNC(=O)NCC(=O)N2CC[NH2+]CC2)cc1 ZINC000515221408 419978584 /nfs/dbraw/zinc/97/85/84/419978584.db2.gz OUSWSUKFENMMNN-UHFFFAOYSA-N 2 0 333.436 -0.021 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H](C)N1C ZINC000515402207 419983497 /nfs/dbraw/zinc/98/34/97/419983497.db2.gz JGBBUDHIOOMRHU-GASCZTMLSA-N 2 0 341.500 -0.511 20 0 EBADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000516492538 420513376 /nfs/dbraw/zinc/51/33/76/420513376.db2.gz MROWEUNYAWYLLY-LSDHHAIUSA-N 2 0 340.468 -0.282 20 0 EBADRP CC[NH+](CC)CCS(=O)(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000645835360 420520154 /nfs/dbraw/zinc/52/01/54/420520154.db2.gz OXOKIOTUZOOBFJ-CYBMUJFWSA-N 2 0 334.486 -0.290 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000167212045 420527282 /nfs/dbraw/zinc/52/72/82/420527282.db2.gz GOZQPSJOROOHGE-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP COC[C@@]1(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC[NH2+]C1 ZINC000646009561 420530859 /nfs/dbraw/zinc/53/08/59/420530859.db2.gz STIUFJXLJVBSJR-DOTOQJQBSA-N 2 0 340.468 -0.865 20 0 EBADRP CCOC(=O)N1CCC([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000496161959 420623778 /nfs/dbraw/zinc/62/37/78/420623778.db2.gz QNJITZNREWLHRN-HNNXBMFYSA-N 2 0 328.457 -0.195 20 0 EBADRP C[C@H](C(=O)N1CC[C@H](N(C)Cc2cc(=O)[nH]c(N)n2)C1)[NH+]1CC(C)C1 ZINC000563389231 420653568 /nfs/dbraw/zinc/65/35/68/420653568.db2.gz VBSLDNUTVGTBRC-OCCSQVGLSA-N 2 0 348.451 0.137 20 0 EBADRP Nc1nc(-n2cccn2)cc(N2CCCC[C@H]2CNC(=O)CC[NH3+])[nH+]1 ZINC000420247048 420669492 /nfs/dbraw/zinc/66/94/92/420669492.db2.gz OCUQGMBAYJRIFZ-LBPRGKRZSA-N 2 0 344.423 0.068 20 0 EBADRP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000516635737 420688144 /nfs/dbraw/zinc/68/81/44/420688144.db2.gz FXNUFYQIYXCSLU-UHFFFAOYSA-N 2 0 326.441 -0.576 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000178929265 420691292 /nfs/dbraw/zinc/69/12/92/420691292.db2.gz LZLQIWHBPVUBQL-HOCLYGCPSA-N 2 0 330.473 -0.045 20 0 EBADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000646803700 420694976 /nfs/dbraw/zinc/69/49/76/420694976.db2.gz DJOBKTWGURYLEL-LYOVBCGYSA-N 2 0 349.439 -0.315 20 0 EBADRP C[NH+]1CCN(c2ncccc2CNC(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000285909006 420705963 /nfs/dbraw/zinc/70/59/63/420705963.db2.gz DIIZYXFOXFRHBU-HNNXBMFYSA-N 2 0 333.436 -0.172 20 0 EBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529341217 420762963 /nfs/dbraw/zinc/76/29/63/420762963.db2.gz PRBJZUJNEPYXIF-OAHLLOKOSA-N 2 0 339.484 -0.214 20 0 EBADRP C[C@H]1C[C@H](NC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC000529337166 420763151 /nfs/dbraw/zinc/76/31/51/420763151.db2.gz IPOJZTDEPKAFSV-UONOGXRCSA-N 2 0 338.456 -0.521 20 0 EBADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529338298 420763432 /nfs/dbraw/zinc/76/34/32/420763432.db2.gz MMHWXVYNNPUDQG-UONOGXRCSA-N 2 0 338.456 -0.663 20 0 EBADRP O=C(NC[C@H]1COCC[NH2+]1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000529337696 420763601 /nfs/dbraw/zinc/76/36/01/420763601.db2.gz IHZRYTAOSZKYKC-SLTAFYQDSA-N 2 0 325.457 -0.510 20 0 EBADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000521877105 420713187 /nfs/dbraw/zinc/71/31/87/420713187.db2.gz XZTZCJFNXJALMX-CQSZACIVSA-N 3 0 325.457 -0.872 20 0 EBADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000236650849 420735498 /nfs/dbraw/zinc/73/54/98/420735498.db2.gz QUWCSYFLOOEPNC-AWEZNQCLSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@H]1COCCN1CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000524922655 420740219 /nfs/dbraw/zinc/74/02/19/420740219.db2.gz KHUYTAHDVIDSMI-HNNXBMFYSA-N 2 0 329.489 -0.158 20 0 EBADRP COCn1nccc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000530429093 420783008 /nfs/dbraw/zinc/78/30/08/420783008.db2.gz LHADOGSJGLHVMI-UHFFFAOYSA-N 2 0 333.458 -0.399 20 0 EBADRP CN(CC1C[NH+](C)C1)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000658440561 420824479 /nfs/dbraw/zinc/82/44/79/420824479.db2.gz FAWKCEPMDHMBNX-UHFFFAOYSA-N 2 0 331.420 -0.250 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C[C@H](C)O1 ZINC000654362664 420825817 /nfs/dbraw/zinc/82/58/17/420825817.db2.gz YCOJHEVGCZLHGY-XUWVNRHRSA-N 2 0 340.468 -0.054 20 0 EBADRP CC[NH+]1CCN(CC(C)(C)NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000654412775 420826370 /nfs/dbraw/zinc/82/63/70/420826370.db2.gz MOTOBGOQMGVSOJ-INIZCTEOSA-N 2 0 337.512 -0.091 20 0 EBADRP CC1(C)CN(CCNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCO1 ZINC000654417555 420827663 /nfs/dbraw/zinc/82/76/63/420827663.db2.gz VNMLKRNTZGVTBC-UONOGXRCSA-N 2 0 326.441 -0.442 20 0 EBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000656025478 420868405 /nfs/dbraw/zinc/86/84/05/420868405.db2.gz LDSMEIIBTSWXBU-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656039848 420869047 /nfs/dbraw/zinc/86/90/47/420869047.db2.gz IYICGTKZYAFVEB-SZOQZIPDSA-N 2 0 340.468 -0.202 20 0 EBADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC[N@@H+]1C ZINC000656077347 420876475 /nfs/dbraw/zinc/87/64/75/420876475.db2.gz UEMZYMVEVONNFR-APIJFGDWSA-N 2 0 338.452 -0.795 20 0 EBADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656084604 420878071 /nfs/dbraw/zinc/87/80/71/420878071.db2.gz YRSRSJGPHVJKQN-SOUVJXGZSA-N 2 0 338.452 -0.795 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656325287 420888909 /nfs/dbraw/zinc/88/89/09/420888909.db2.gz NXCIQJIZOWQHBR-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656324824 420890415 /nfs/dbraw/zinc/89/04/15/420890415.db2.gz DJSOASBKVQODGV-UONOGXRCSA-N 2 0 326.441 -0.888 20 0 EBADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656337085 420891912 /nfs/dbraw/zinc/89/19/12/420891912.db2.gz GITBPVJZLRTXSE-QLFBSQMISA-N 2 0 338.452 -0.888 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000658537928 420960434 /nfs/dbraw/zinc/96/04/34/420960434.db2.gz YZRGHROIBRXSSX-HUUCEWRRSA-N 2 0 340.468 -0.567 20 0 EBADRP CN1CCN(C(=O)NCCN2C[C@H]3CCCCN3C2=O)[C@@H](C[NH3+])C1 ZINC000659611478 421005416 /nfs/dbraw/zinc/00/54/16/421005416.db2.gz QXRXFUCKHLAEFJ-KGLIPLIRSA-N 2 0 338.456 -0.439 20 0 EBADRP CC1(C)CN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC[N@@H+]1CCO ZINC000659628977 421007049 /nfs/dbraw/zinc/00/70/49/421007049.db2.gz BGMMDFNFLDVJLU-UHFFFAOYSA-N 2 0 338.412 -0.761 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659631516 421007557 /nfs/dbraw/zinc/00/75/57/421007557.db2.gz GIPIOULQURTWGA-UHFFFAOYSA-N 2 0 326.401 -0.640 20 0 EBADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000659612004 421007834 /nfs/dbraw/zinc/00/78/34/421007834.db2.gz VJIITCFYMIETOJ-KGLIPLIRSA-N 2 0 325.457 -0.033 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659680860 421013755 /nfs/dbraw/zinc/01/37/55/421013755.db2.gz SEHGGEJIJXXVEW-MGPQQGTHSA-N 2 0 344.431 -0.643 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000659690359 421014725 /nfs/dbraw/zinc/01/47/25/421014725.db2.gz RVPXVOBBRRSOHA-ZDUSSCGKSA-N 2 0 336.436 -0.033 20 0 EBADRP [NH3+]CCCNC(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659709085 421018530 /nfs/dbraw/zinc/01/85/30/421018530.db2.gz DPXOUQBDPNWFDW-UHFFFAOYSA-N 2 0 333.436 -0.125 20 0 EBADRP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659715147 421019898 /nfs/dbraw/zinc/01/98/98/421019898.db2.gz OMUNEACZHNGNOL-HUUCEWRRSA-N 2 0 338.452 -0.386 20 0 EBADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000659721909 421021339 /nfs/dbraw/zinc/02/13/39/421021339.db2.gz LGDTXJOALGJPIQ-KFWWJZLASA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000659729696 421022416 /nfs/dbraw/zinc/02/24/16/421022416.db2.gz TUNOXVWDYAWUBQ-MELADBBJSA-N 2 0 328.457 -0.202 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000659729695 421022501 /nfs/dbraw/zinc/02/25/01/421022501.db2.gz TUNOXVWDYAWUBQ-IHRRRGAJSA-N 2 0 328.457 -0.202 20 0 EBADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)C(=O)N1CC[NH2+]CC1 ZINC000659726725 421022950 /nfs/dbraw/zinc/02/29/50/421022950.db2.gz BMHHPRFCSSIJPU-UHFFFAOYSA-N 2 0 345.447 -0.158 20 0 EBADRP [NH3+][C@H]1CCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659731084 421024651 /nfs/dbraw/zinc/02/46/51/421024651.db2.gz XXFPEEGYOIVJBR-INIZCTEOSA-N 2 0 345.447 -0.031 20 0 EBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCC34CC(C3)C[NH2+]4)CC2)C1 ZINC000659741209 421026020 /nfs/dbraw/zinc/02/60/20/421026020.db2.gz HXHSFZHUHPOFRN-SWKXRBFHSA-N 2 0 349.479 -0.907 20 0 EBADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000659744909 421028132 /nfs/dbraw/zinc/02/81/32/421028132.db2.gz SLXKSCITBVPFGM-OAHLLOKOSA-N 2 0 342.484 -0.219 20 0 EBADRP C[NH+]1CCN(c2cc(CNC(=O)c3cn(CC[NH3+])nn3)ccn2)CC1 ZINC000662387416 421085167 /nfs/dbraw/zinc/08/51/67/421085167.db2.gz UGRFALGPRKOGBF-UHFFFAOYSA-N 2 0 344.423 -0.686 20 0 EBADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@@H+](CCN2CC[NH2+]CC2)C1 ZINC000662337211 421085700 /nfs/dbraw/zinc/08/57/00/421085700.db2.gz KAOSHUBLMRCJFU-MRXNPFEDSA-N 3 0 347.511 -0.096 20 0 EBADRP CN(CCC[NH+](C)C)CCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662633381 421094007 /nfs/dbraw/zinc/09/40/07/421094007.db2.gz ZYMCVBCRSBEJAM-UHFFFAOYSA-N 2 0 337.472 -0.184 20 0 EBADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C3(O)C[NH2+]C3)cc2)C1 ZINC000662708182 421097674 /nfs/dbraw/zinc/09/76/74/421097674.db2.gz QJLQJWUFZFDVOF-ZDUSSCGKSA-N 2 0 332.404 -0.343 20 0 EBADRP C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCO[C@H]3C[NH3+])cn2)CC1 ZINC000662756618 421099295 /nfs/dbraw/zinc/09/92/95/421099295.db2.gz JDSMPPRODZJZNC-GJZGRUSLSA-N 2 0 333.436 -0.187 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000662926151 421111189 /nfs/dbraw/zinc/11/11/89/421111189.db2.gz XMVBNADKIUIZSY-UHFFFAOYSA-N 2 0 340.468 -0.247 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC[C@H]1F ZINC000662930951 421111234 /nfs/dbraw/zinc/11/12/34/421111234.db2.gz ZQPOYWASNKYCLG-BFHYXJOUSA-N 2 0 326.416 -0.029 20 0 EBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662927424 421111265 /nfs/dbraw/zinc/11/12/65/421111265.db2.gz ZFYFAASNZYGZOB-UHFFFAOYSA-N 3 0 341.500 -0.334 20 0 EBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662933309 421111989 /nfs/dbraw/zinc/11/19/89/421111989.db2.gz XIIZUIWSCJNQJE-ZIAGYGMSSA-N 2 0 344.431 -0.547 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000662932867 421112573 /nfs/dbraw/zinc/11/25/73/421112573.db2.gz NEZSOXLLUWAPBB-UHFFFAOYSA-N 2 0 326.441 -0.636 20 0 EBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CCC[NH3+] ZINC000662937005 421113336 /nfs/dbraw/zinc/11/33/36/421113336.db2.gz DOIOCKHPOLUBAB-ZDUSSCGKSA-N 2 0 326.441 -0.495 20 0 EBADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662947460 421114908 /nfs/dbraw/zinc/11/49/08/421114908.db2.gz QYKKJGJQVHYFGB-CQSZACIVSA-N 2 0 342.484 -0.001 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C[C@@H](C)[NH2+]1 ZINC000662953954 421117550 /nfs/dbraw/zinc/11/75/50/421117550.db2.gz RSQJCCRDJWYKSA-KFWWJZLASA-N 2 0 340.468 -0.236 20 0 EBADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000662992132 421121699 /nfs/dbraw/zinc/12/16/99/421121699.db2.gz AMVGFNRMAVBTFB-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662990181 421121841 /nfs/dbraw/zinc/12/18/41/421121841.db2.gz PDKYDSJQOXXVJV-ZIAGYGMSSA-N 2 0 345.463 -0.774 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CCO1 ZINC000662989962 421121982 /nfs/dbraw/zinc/12/19/82/421121982.db2.gz BFZXOXQYPXQZMP-BFHYXJOUSA-N 2 0 344.431 -0.547 20 0 EBADRP CN(C)C(=O)N(C)[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000663500228 421131457 /nfs/dbraw/zinc/13/14/57/421131457.db2.gz JBNQXFCOCBVRFB-UONOGXRCSA-N 2 0 325.457 -0.129 20 0 EBADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@@H+](C[C@H]2CNCCO2)C1 ZINC000662338792 421084792 /nfs/dbraw/zinc/08/47/92/421084792.db2.gz WFSNLCWGZZYROP-HUUCEWRRSA-N 2 0 334.468 -0.013 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000664183228 421150344 /nfs/dbraw/zinc/15/03/44/421150344.db2.gz QFUSCDKLCISOHO-HOCLYGCPSA-N 2 0 340.468 -0.052 20 0 EBADRP C[NH+](C)[C@H]1CN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C[C@@H]1O ZINC000664815355 421163752 /nfs/dbraw/zinc/16/37/52/421163752.db2.gz OBMNXMSRTPCLOD-KBPBESRZSA-N 2 0 327.473 -0.671 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)n1 ZINC000331320330 421191116 /nfs/dbraw/zinc/19/11/16/421191116.db2.gz LAAGXWYYJCYKLW-UHFFFAOYSA-N 2 0 336.440 -0.064 20 0 EBADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000665253925 421197228 /nfs/dbraw/zinc/19/72/28/421197228.db2.gz COVGMOUSRLFSJM-OKILXGFUSA-N 2 0 327.473 -0.012 20 0 EBADRP Cc1cc(NC(=O)CC[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)no1 ZINC000573834288 421247079 /nfs/dbraw/zinc/24/70/79/421247079.db2.gz WPHVTUCHYICBGC-ZDUSSCGKSA-N 2 0 337.424 0.489 20 0 EBADRP C[C@@]1(CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCC[NH2+]C1 ZINC000418547435 264831326 /nfs/dbraw/zinc/83/13/26/264831326.db2.gz RLIAKQVSEHYHFU-CZUORRHYSA-N 2 0 325.457 -0.127 20 0 EBADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419855299 264894936 /nfs/dbraw/zinc/89/49/36/264894936.db2.gz QGFVDMFUJHFMDN-AWEZNQCLSA-N 2 0 327.473 -0.756 20 0 EBADRP C[C@H](NC(=O)C(=O)NCCCN1CC[NH2+]CC1)C(C)(C)C[NH+](C)C ZINC000419877995 264901409 /nfs/dbraw/zinc/90/14/09/264901409.db2.gz XLKXKNRYTVIOIB-AWEZNQCLSA-N 2 0 341.500 -0.510 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C[C@H]1[NH3+] ZINC000423390058 265003578 /nfs/dbraw/zinc/00/35/78/265003578.db2.gz OCCOBVCSBHFIMA-VNHYZAJKSA-N 2 0 338.452 -0.496 20 0 EBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CCC[NH2+]CC1 ZINC000423618327 265020439 /nfs/dbraw/zinc/02/04/39/265020439.db2.gz YNVZXDIBGVCMED-UHFFFAOYSA-N 2 0 327.473 -0.850 20 0 EBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423741521 265039774 /nfs/dbraw/zinc/03/97/74/265039774.db2.gz YBNLADDPSGFWMI-CABCVRRESA-N 2 0 339.484 -0.851 20 0 EBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423736750 265039980 /nfs/dbraw/zinc/03/99/80/265039980.db2.gz BXWLJQMTHMTYIL-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP O=C(CC[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1)N1CC[NH2+]CC1 ZINC000424302522 265056009 /nfs/dbraw/zinc/05/60/09/265056009.db2.gz ZTHXWCDQFNCBFJ-UHFFFAOYSA-N 3 0 332.452 -0.055 20 0 EBADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424494671 265067981 /nfs/dbraw/zinc/06/79/81/265067981.db2.gz OBSFASDGVQKRON-SOUVJXGZSA-N 2 0 348.451 -0.774 20 0 EBADRP CC[NH+](CC)CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424535220 265073193 /nfs/dbraw/zinc/07/31/93/265073193.db2.gz ZXMRGIUAELXCJB-UONOGXRCSA-N 2 0 336.440 -0.869 20 0 EBADRP CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430643383 265152333 /nfs/dbraw/zinc/15/23/33/265152333.db2.gz QXYPUSUSTMMIGV-AWEZNQCLSA-N 2 0 346.497 -0.588 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430651165 265152809 /nfs/dbraw/zinc/15/28/09/265152809.db2.gz VUDJUMJOTRJHPO-RYUDHWBXSA-N 2 0 327.429 -0.604 20 0 EBADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1 ZINC000430963232 265158575 /nfs/dbraw/zinc/15/85/75/265158575.db2.gz SXMJWIXSPRHMPG-CHWSQXEVSA-N 2 0 348.451 -0.117 20 0 EBADRP O=C1C[C@]2(CC[N@H+](C/C=C\C[NH+]3CC[C@]4(CNC(=O)C4)C3)C2)CN1 ZINC000434738644 265212429 /nfs/dbraw/zinc/21/24/29/265212429.db2.gz OOCOXYONDDNGAZ-OEHAVNEVSA-N 2 0 332.448 -0.033 20 0 EBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000434867560 265216400 /nfs/dbraw/zinc/21/64/00/265216400.db2.gz FNLVTNJKUCVWLN-OLZOCXBDSA-N 2 0 328.482 -0.215 20 0 EBADRP CC[NH+](CCOCC[N@@H+](CC)[C@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000440940959 265296945 /nfs/dbraw/zinc/29/69/45/265296945.db2.gz PNDQCXHEEBJHDI-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP CNc1nc(NCC(C)(C)[NH+](C)C)nc(NCC(C)(C)[NH+](C)C)n1 ZINC000443425312 265349805 /nfs/dbraw/zinc/34/98/05/265349805.db2.gz HUIJASNENMGIMZ-UHFFFAOYSA-N 2 0 338.504 -0.317 20 0 EBADRP C[C@@H]1CC(=O)C[C@@H](C(=O)NCC[NH+](C)C)[C@@H]1C(=O)NCC[NH+](C)C ZINC000448543586 265389637 /nfs/dbraw/zinc/38/96/37/265389637.db2.gz SGTAIVTXCDFSCE-BPLDGKMQSA-N 2 0 340.468 -0.427 20 0 EBADRP CC[NH+]1CCN(CCC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000428953051 272838322 /nfs/dbraw/zinc/83/83/22/272838322.db2.gz NPUGEQYOKFRHLZ-OAHLLOKOSA-N 2 0 339.484 -0.673 20 0 EBADRP CC[NH+]1CCN(CCC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000428953047 272838342 /nfs/dbraw/zinc/83/83/42/272838342.db2.gz NPUGEQYOKFRHLZ-HNNXBMFYSA-N 2 0 339.484 -0.673 20 0 EBADRP CC(C)(O)C[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000366042474 277315936 /nfs/dbraw/zinc/31/59/36/277315936.db2.gz MRNYZULCATWBQE-HUUCEWRRSA-N 2 0 340.468 -0.052 20 0 EBADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000347968667 279142027 /nfs/dbraw/zinc/14/20/27/279142027.db2.gz OPDYIOLAPGFKRV-KBPBESRZSA-N 2 0 327.473 -0.805 20 0 EBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000347968625 279166384 /nfs/dbraw/zinc/16/63/84/279166384.db2.gz ODRAXMQUZXHTIT-LSDHHAIUSA-N 2 0 339.484 -0.709 20 0 EBADRP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C2([NH3+])Cc3ccccc3C2)C1 ZINC000377130726 295234656 /nfs/dbraw/zinc/23/46/56/295234656.db2.gz YEADEZLHVZMUGZ-HNNXBMFYSA-N 2 0 330.432 -0.204 20 0 EBADRP CC[NH+](CC)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668329540 545660052 /nfs/dbraw/zinc/66/00/52/545660052.db2.gz ZSYXISHPECEVPI-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C)CC2)CCO1 ZINC000668362214 545661633 /nfs/dbraw/zinc/66/16/33/545661633.db2.gz SVTLAOZMFGFYHQ-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[NH+]1CCC(CNC(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000671376474 545991175 /nfs/dbraw/zinc/99/11/75/545991175.db2.gz KSZRBKUGJMTYER-UHFFFAOYSA-N 2 0 328.457 -0.471 20 0 EBADRP C[NH+]1CC[C@H](CNC(=O)c2cc(C(=O)NC[C@H]3CC[N@@H+](C)C3)[nH]n2)C1 ZINC000666909558 546045756 /nfs/dbraw/zinc/04/57/56/546045756.db2.gz GVVGLRTWCBTTPJ-CHWSQXEVSA-N 2 0 348.451 -0.227 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1)[N@H+](C)C1CC1 ZINC000672207769 546084785 /nfs/dbraw/zinc/08/47/85/546084785.db2.gz MPCGRAZSOZOFMD-SGMGOOAPSA-N 2 0 326.441 -0.579 20 0 EBADRP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)NC3CC[NH+](CCO)CC3)[C@H]2C1 ZINC000672414115 546099070 /nfs/dbraw/zinc/09/90/70/546099070.db2.gz FGWJVPVECOHQHU-ZFWWWQNUSA-N 2 0 338.452 -0.888 20 0 EBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000672596929 546112784 /nfs/dbraw/zinc/11/27/84/546112784.db2.gz HYQVXGDIMVPUFF-LSDHHAIUSA-N 2 0 339.484 -0.661 20 0 EBADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000672876626 546122125 /nfs/dbraw/zinc/12/21/25/546122125.db2.gz RESSMXFUJUODEN-LSDHHAIUSA-N 2 0 327.473 -0.358 20 0 EBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@@H](NC(N)=O)C3)C2)CC1 ZINC000677831513 546237279 /nfs/dbraw/zinc/23/72/79/546237279.db2.gz ZWCRVBGSDOJEMT-OLZOCXBDSA-N 2 0 338.456 -0.393 20 0 EBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@]3(O)CC[NH+](C)C3)C2)CC1 ZINC000680835137 546293730 /nfs/dbraw/zinc/29/37/30/546293730.db2.gz XBZGXYBETUJZPT-RHSMWYFYSA-N 2 0 339.484 -0.479 20 0 EBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3C[C@@H](O)C[C@@H]3CO)C2)CC1 ZINC000680943084 546296285 /nfs/dbraw/zinc/29/62/85/546296285.db2.gz FTWKNOSKGNYWAS-CFVMTHIKSA-N 2 0 326.441 -0.708 20 0 EBADRP C[NH+](C)C[C@](C)(O)CNc1nccnc1NC[C@](C)(O)C[NH+](C)C ZINC000167274079 546412277 /nfs/dbraw/zinc/41/22/77/546412277.db2.gz XAASYNYIJZOOJR-IYBDPMFKSA-N 2 0 340.472 -0.074 20 0 EBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])C2)CC1 ZINC000566009685 582549474 /nfs/dbraw/zinc/54/94/74/582549474.db2.gz GOSBLMKMBHPNLU-RRFJBIMHSA-N 2 0 339.484 -0.533 20 0 EBADRP C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891450834 582556784 /nfs/dbraw/zinc/55/67/84/582556784.db2.gz JPCNZMQVPJTHGZ-SYQHCUMBSA-N 2 0 339.440 -0.097 20 0 EBADRP COCCC1(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)CC[NH2+]CC1 ZINC000891540266 582557733 /nfs/dbraw/zinc/55/77/33/582557733.db2.gz PPOYGVKJWVHALV-AWEZNQCLSA-N 2 0 327.473 -0.310 20 0 EBADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891559628 582557984 /nfs/dbraw/zinc/55/79/84/582557984.db2.gz GKPHPOOSMFNIRJ-MHEUCROKSA-N 2 0 349.435 -0.200 20 0 EBADRP CN1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)Cc2cccnc21 ZINC000891971777 582564629 /nfs/dbraw/zinc/56/46/29/582564629.db2.gz YMPMRMAODJBOMR-UHFFFAOYSA-N 2 0 332.408 -0.525 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892099282 582567205 /nfs/dbraw/zinc/56/72/05/582567205.db2.gz IESXUGKAMMBZPN-LPWJVIDDSA-N 2 0 325.413 -0.439 20 0 EBADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)NC[C@@H]1C[NH2+]CCCO1 ZINC000892167129 582568319 /nfs/dbraw/zinc/56/83/19/582568319.db2.gz BVZDOYUNUABNHT-KBPBESRZSA-N 2 0 326.441 -0.177 20 0 EBADRP C[NH2+]CCOCCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000892280605 582573096 /nfs/dbraw/zinc/57/30/96/582573096.db2.gz DDPJRDGCWDZAKY-HUUCEWRRSA-N 3 0 329.489 -0.397 20 0 EBADRP C[C@@H]1CN(CCNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CCO1 ZINC000892594972 582583170 /nfs/dbraw/zinc/58/31/70/582583170.db2.gz DKDLWBVUKRPEML-OAGGEKHMSA-N 2 0 340.468 -0.052 20 0 EBADRP CC[N@H+](CCO)CCNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892766040 582587095 /nfs/dbraw/zinc/58/70/95/582587095.db2.gz JWUJJIPZOMNSJO-CQSZACIVSA-N 2 0 328.457 -0.242 20 0 EBADRP C[NH+](C)C[C@](C)(O)CNc1nccc(NC[C@](C)(O)C[NH+](C)C)n1 ZINC000892955984 582591123 /nfs/dbraw/zinc/59/11/23/582591123.db2.gz QGYYOJTXXPHAAD-JKSUJKDBSA-N 2 0 340.472 -0.074 20 0 EBADRP C[NH+](C)C[C@](C)(O)CNc1ccnc(NC[C@@](C)(O)C[NH+](C)C)n1 ZINC000892955983 582591132 /nfs/dbraw/zinc/59/11/32/582591132.db2.gz QGYYOJTXXPHAAD-HZPDHXFCSA-N 2 0 340.472 -0.074 20 0 EBADRP O=C(NCC[NH+]1CCCOCC1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000895045952 582638282 /nfs/dbraw/zinc/63/82/82/582638282.db2.gz CZWVSXBABXIZPU-HZPDHXFCSA-N 2 0 340.468 -0.051 20 0 EBADRP C[NH+](C)CC(=O)N1CCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900171405 582763258 /nfs/dbraw/zinc/76/32/58/582763258.db2.gz JUPXEILCOOUKEV-INIZCTEOSA-N 2 0 326.441 -0.934 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1OCCN(C)C1=O ZINC000900481123 582770434 /nfs/dbraw/zinc/77/04/34/582770434.db2.gz NLLABEVVGXHQQC-CABCVRRESA-N 2 0 340.468 -0.282 20 0 EBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900646372 582776207 /nfs/dbraw/zinc/77/62/07/582776207.db2.gz ARFKCEXSIZZOCA-KRWDZBQOSA-N 2 0 326.485 -0.071 20 0 EBADRP C[C@H](CNC(=O)C[C@]1(O)CCC[N@H+](C)C1)C[NH+]1CCN(C)CC1 ZINC000900693410 582779049 /nfs/dbraw/zinc/77/90/49/582779049.db2.gz RPWHABJRXOJIMQ-NVXWUHKLSA-N 2 0 326.485 -0.167 20 0 EBADRP C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[C@H]1C[N@H+](C)CCN1C ZINC000900800381 582783507 /nfs/dbraw/zinc/78/35/07/582783507.db2.gz CGAOWAXRALMFFA-RRFJBIMHSA-N 2 0 339.484 -0.853 20 0 EBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)NC[C@H]1CCCO1)C2 ZINC000903492448 582809550 /nfs/dbraw/zinc/80/95/50/582809550.db2.gz DUVZVIULVPZSFJ-VLXAULBPSA-N 2 0 325.409 -0.506 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CCNS(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000903548909 582811453 /nfs/dbraw/zinc/81/14/53/582811453.db2.gz OMDPQBPRTMOANZ-HUUCEWRRSA-N 2 0 332.514 -0.211 20 0 EBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CC[NH2+]CCC12CCOCC2 ZINC000903550250 582811476 /nfs/dbraw/zinc/81/14/76/582811476.db2.gz XZCFUJLRYYPJEQ-CYBMUJFWSA-N 2 0 333.454 -0.851 20 0 EBADRP CNC(=O)NC[C@@H]1CN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903769648 582818084 /nfs/dbraw/zinc/81/80/84/582818084.db2.gz LJVXELDGGPJEGB-UONOGXRCSA-N 2 0 326.441 -0.225 20 0 EBADRP COCCOCCOCC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000903779259 582820214 /nfs/dbraw/zinc/82/02/14/582820214.db2.gz XOIYINFLCLVVJS-KFWWJZLASA-N 2 0 343.424 -0.467 20 0 EBADRP C[NH2+]CCN(C(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1)C(C)C ZINC000903811941 582821470 /nfs/dbraw/zinc/82/14/70/582821470.db2.gz LZYHWVHEPJEVTD-UHFFFAOYSA-N 2 0 341.500 -0.461 20 0 EBADRP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)C[C@@H](O)CN2CCOCC2)cnn1C ZINC000903894905 582823332 /nfs/dbraw/zinc/82/33/32/582823332.db2.gz HIOFZVRVFULUSZ-DOTOQJQBSA-N 2 0 339.484 -0.529 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000732245945 582846166 /nfs/dbraw/zinc/84/61/66/582846166.db2.gz KKNZTKWRPHRZLQ-RRFJBIMHSA-N 2 0 325.457 -0.605 20 0 EBADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000838301526 583053754 /nfs/dbraw/zinc/05/37/54/583053754.db2.gz FCRAQDKWBBFHNP-OWCLPIDISA-N 2 0 340.468 -0.004 20 0 EBADRP CN1C(=O)C(=O)N(CN2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000744441281 583091173 /nfs/dbraw/zinc/09/11/73/583091173.db2.gz LPEKJRFBEIJRJQ-UHFFFAOYSA-N 2 0 338.408 -0.059 20 0 EBADRP CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000775036474 583394411 /nfs/dbraw/zinc/39/44/11/583394411.db2.gz UOEGSOUWQSEDQS-GJZGRUSLSA-N 2 0 338.452 -0.434 20 0 EBADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000804031475 583636019 /nfs/dbraw/zinc/63/60/19/583636019.db2.gz HBHNJFCTIRANQH-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1)C(C)C ZINC000804051066 583636769 /nfs/dbraw/zinc/63/67/69/583636769.db2.gz NADDBJQCPDLUOR-GJZGRUSLSA-N 2 0 340.468 -0.188 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)C(C)C ZINC000804051070 583636847 /nfs/dbraw/zinc/63/68/47/583636847.db2.gz NADDBJQCPDLUOR-LSDHHAIUSA-N 2 0 340.468 -0.188 20 0 EBADRP CCNS(=O)(=O)CC[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000817912324 583730815 /nfs/dbraw/zinc/73/08/15/583730815.db2.gz UJOVRNBHLAUENF-GFCCVEGCSA-N 2 0 335.470 -0.163 20 0 EBADRP C[NH+]1C[C@H]2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)N3CC[C@H]4C[N@@H+](C)C[C@H]43)[C@@H]2C1 ZINC000820273637 583770057 /nfs/dbraw/zinc/77/00/57/583770057.db2.gz YQSXURUQDYAWPM-PHPOFCCKSA-N 2 0 346.475 -0.053 20 0 EBADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000829764787 583958046 /nfs/dbraw/zinc/95/80/46/583958046.db2.gz XMYXGQCZLQMYPY-ZDUSSCGKSA-N 2 0 348.451 -0.808 20 0 EBADRP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841851447 584055481 /nfs/dbraw/zinc/05/54/81/584055481.db2.gz WHZMMECVEQASAN-NEPJUHHUSA-N 2 0 338.374 -0.293 20 0 EBADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000842165563 584058804 /nfs/dbraw/zinc/05/88/04/584058804.db2.gz ZKDAXTTWUPGPCK-MCIONIFRSA-N 2 0 326.441 -0.401 20 0 EBADRP C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)[C@@H]1C[NH3+] ZINC000842165383 584059086 /nfs/dbraw/zinc/05/90/86/584059086.db2.gz VVJAYQZVQOZAFY-LXTVHRRPSA-N 2 0 338.452 -0.448 20 0 EBADRP C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000842177173 584059776 /nfs/dbraw/zinc/05/97/76/584059776.db2.gz AEFWNBSXKVYOSA-OFQRWUPVSA-N 2 0 348.447 -0.145 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CCSC1 ZINC000842190777 584060367 /nfs/dbraw/zinc/06/03/67/584060367.db2.gz IOAYJNYZSKWBNA-HOTGVXAUSA-N 2 0 340.493 -0.106 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000846319827 584124445 /nfs/dbraw/zinc/12/44/45/584124445.db2.gz JDTFUTBSNUXRTI-UHFFFAOYSA-N 2 0 348.451 -0.015 20 0 EBADRP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccnn1C ZINC000867437813 584130254 /nfs/dbraw/zinc/13/02/54/584130254.db2.gz FEKJLTWBVADBPY-CYBMUJFWSA-N 2 0 338.456 -0.451 20 0 EBADRP C[NH+]1CCN(C(C)(C)CNC(=[NH2+])NCCCN2CCOCC2)CC1 ZINC000849055208 584165455 /nfs/dbraw/zinc/16/54/55/584165455.db2.gz VTHDRIBLIRTILQ-UHFFFAOYSA-N 2 0 340.516 -0.151 20 0 EBADRP [NH2+]=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCN(c2ncccn2)CC1 ZINC000849073800 584165681 /nfs/dbraw/zinc/16/56/81/584165681.db2.gz DXOZPZHDFNZGLL-GJZGRUSLSA-N 2 0 345.451 -0.014 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852865312 584217959 /nfs/dbraw/zinc/21/79/59/584217959.db2.gz YWTKAWVPPFTRBR-DGCLKSJQSA-N 2 0 325.413 -0.851 20 0 EBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)=NO1 ZINC000852874409 584218583 /nfs/dbraw/zinc/21/85/83/584218583.db2.gz OYFGNLMAIXNVFG-FRRDWIJNSA-N 2 0 337.424 -0.803 20 0 EBADRP O[C@H]1C[NH+](CCCCCCCCC[NH+]2C[C@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000859455511 584303279 /nfs/dbraw/zinc/30/32/79/584303279.db2.gz KNAPECLXJWHKQK-QAETUUGQSA-N 2 0 330.469 -0.208 20 0 EBADRP [NH3+]C1(CNC(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CCC1 ZINC000861640941 584332280 /nfs/dbraw/zinc/33/22/80/584332280.db2.gz GEPFRFYNFCSXMV-OLZOCXBDSA-N 2 0 337.424 -0.166 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000861744933 584336696 /nfs/dbraw/zinc/33/66/96/584336696.db2.gz RSWDWRRACMQOQN-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000861744936 584336855 /nfs/dbraw/zinc/33/68/55/584336855.db2.gz RSWDWRRACMQOQN-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC2)c1 ZINC000863755221 584376576 /nfs/dbraw/zinc/37/65/76/584376576.db2.gz LYBMLJFAUBHUAM-GFCCVEGCSA-N 2 0 335.408 -0.456 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000863761861 584377161 /nfs/dbraw/zinc/37/71/61/584377161.db2.gz RRNZIQKAZWOTJD-GFCCVEGCSA-N 2 0 335.408 -0.456 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CN1CCCCC(=O)C1=O ZINC000865178534 584393054 /nfs/dbraw/zinc/39/30/54/584393054.db2.gz XQZYZLBYBOEBKQ-UHFFFAOYSA-N 2 0 326.441 -0.480 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000865177309 584393096 /nfs/dbraw/zinc/39/30/96/584393096.db2.gz DSIUPFNJYVGCOU-UONOGXRCSA-N 2 0 328.457 -0.249 20 0 EBADRP O=C1COC[C@@]2(C[NH2+]Cc3ccnn3-c3cc[nH+]cc3)COCCN12 ZINC000865795034 584396304 /nfs/dbraw/zinc/39/63/04/584396304.db2.gz JYSNPTGWWNWRBC-QGZVFWFLSA-N 2 0 343.387 -0.015 20 0 EBADRP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000866751750 584405442 /nfs/dbraw/zinc/40/54/42/584405442.db2.gz YDNYQKLQOOUWNI-GJZGRUSLSA-N 2 0 347.481 -0.462 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000866793226 584406811 /nfs/dbraw/zinc/40/68/11/584406811.db2.gz CGFZGUHRIDZTRJ-UHFFFAOYSA-N 2 0 330.498 -0.091 20 0 EBADRP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cn2)CC1 ZINC000868252371 584423603 /nfs/dbraw/zinc/42/36/03/584423603.db2.gz HHJGPFUVAGKNLZ-DOMZBBRYSA-N 2 0 346.435 -0.091 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2C3CCC2(C[NH3+])CC3)cn1 ZINC000868288162 584424240 /nfs/dbraw/zinc/42/42/40/584424240.db2.gz ZCRXGVKBFBJCQL-UHFFFAOYSA-N 2 0 334.424 -0.135 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2C3CCC2(C[NH3+])CC3)n1 ZINC000868289601 584424331 /nfs/dbraw/zinc/42/43/31/584424331.db2.gz QKZLWLIIXLBUJR-UHFFFAOYSA-N 2 0 334.424 -0.135 20 0 EBADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)CC[C@H]21 ZINC000868410924 584429037 /nfs/dbraw/zinc/42/90/37/584429037.db2.gz QNJQHFVXZHAKHZ-BZUAXINKSA-N 2 0 349.479 -0.955 20 0 EBADRP O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870998565 584450813 /nfs/dbraw/zinc/45/08/13/584450813.db2.gz ZICGQBSXABEWHU-FQKPHLNHSA-N 2 0 334.420 -0.090 20 0 EBADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)CC[C@@H]21 ZINC000872193308 584459621 /nfs/dbraw/zinc/45/96/21/584459621.db2.gz UMVVNDPSNCLQQY-YRBFXIGRSA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872300370 584461359 /nfs/dbraw/zinc/46/13/59/584461359.db2.gz BNMIMFWRTLJLBT-PCDGUNBJSA-N 2 0 334.420 -0.064 20 0 EBADRP O=C(CO[C@H]1CCC[NH2+]C1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872309180 584461821 /nfs/dbraw/zinc/46/18/21/584461821.db2.gz SIYRNTVTAJMZHT-FQUUOJAGSA-N 2 0 338.408 -0.852 20 0 EBADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872309179 584461832 /nfs/dbraw/zinc/46/18/32/584461832.db2.gz SIYRNTVTAJMZHT-DGAVXFQQSA-N 2 0 338.408 -0.852 20 0 EBADRP O=S(=O)(CCC[NH+]1CCCC1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000872617763 584463740 /nfs/dbraw/zinc/46/37/40/584463740.db2.gz UDLORCSRLIZNHJ-LSDHHAIUSA-N 2 0 331.482 -0.057 20 0 EBADRP C[C@H](CN1CCOCC1)NC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000875073979 584489080 /nfs/dbraw/zinc/48/90/80/584489080.db2.gz JYZMWOPGUFRMRH-KGLIPLIRSA-N 2 0 328.457 -0.149 20 0 EBADRP CN(C)C(=O)CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875101502 584489597 /nfs/dbraw/zinc/48/95/97/584489597.db2.gz BEKNELCZHAGQIP-ZIAGYGMSSA-N 2 0 327.473 -0.155 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000875159407 584491259 /nfs/dbraw/zinc/49/12/59/584491259.db2.gz IXTOWQGRFSKZNA-ZIAGYGMSSA-N 2 0 326.441 -0.767 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3[C@H](CC[NH+]3C)C2)C1 ZINC000875182272 584492352 /nfs/dbraw/zinc/49/23/52/584492352.db2.gz JPZVZMKMWGWUOT-ILXRZTDVSA-N 2 0 338.452 -0.624 20 0 EBADRP C[C@@H](CS(C)(=O)=O)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875285785 584495980 /nfs/dbraw/zinc/49/59/80/584495980.db2.gz VPPBWDQHFDSCPL-BFHYXJOUSA-N 2 0 348.513 -0.200 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000875272056 584496147 /nfs/dbraw/zinc/49/61/47/584496147.db2.gz SNZVSDPXLJVRAG-UONOGXRCSA-N 2 0 327.473 -0.623 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CC[NH+](CC(C)(C)O)C2)C1 ZINC000875307629 584496648 /nfs/dbraw/zinc/49/66/48/584496648.db2.gz ABCPTMAOYKRPPW-KGLIPLIRSA-N 2 0 328.457 -0.149 20 0 EBADRP CCN1CC[C@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1=O ZINC000875566972 584500754 /nfs/dbraw/zinc/50/07/54/584500754.db2.gz CWBORUBKXUYLIY-KFWWJZLASA-N 2 0 339.484 -0.012 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)[C@]2(COC)C[NH2+]CCO2)CC1 ZINC000876751660 584521954 /nfs/dbraw/zinc/52/19/54/584521954.db2.gz UTEHRNDUXPASHZ-MRXNPFEDSA-N 2 0 329.441 -0.392 20 0 EBADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@H](N)C[NH+](C)C)cc1 ZINC000876760370 584522848 /nfs/dbraw/zinc/52/28/48/584522848.db2.gz QRSGNAQRVYVPEP-HNNXBMFYSA-N 2 0 335.452 -0.517 20 0 EBADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](N)C[NH+](C)C)cn2)CC1 ZINC000876780905 584523488 /nfs/dbraw/zinc/52/34/88/584523488.db2.gz JLVJSLIBMJDPKF-HNNXBMFYSA-N 2 0 334.468 -0.271 20 0 EBADRP COC[C@@]1(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C[NH2+]CCO1 ZINC000877326816 584531595 /nfs/dbraw/zinc/53/15/95/584531595.db2.gz GXCNPBWRPWYPRH-XJKSGUPXSA-N 2 0 327.425 -0.734 20 0 EBADRP COC(=O)Cn1cc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nn1 ZINC000877670401 584533758 /nfs/dbraw/zinc/53/37/58/584533758.db2.gz MYBNIGVKZQOIRY-ZIAGYGMSSA-N 2 0 338.456 -0.378 20 0 EBADRP OC[C@@H]1C[C@@H](O)C[NH+]1CC(C[N@H+]1C[C@H](O)C[C@H]1CO)C1CCCC1 ZINC000878441259 584540797 /nfs/dbraw/zinc/54/07/97/584540797.db2.gz BSXBWLNFKIYMIT-WNRNVDISSA-N 2 0 342.480 -0.352 20 0 EBADRP CN(C)[S@](C)(=O)=NS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000881859758 584577966 /nfs/dbraw/zinc/57/79/66/584577966.db2.gz BWKCYGOGLIOFSK-HXUWFJFHSA-N 2 0 343.519 -0.769 20 0 EBADRP CN(C)[S@@](C)(=O)=NS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000881859757 584578006 /nfs/dbraw/zinc/57/80/06/584578006.db2.gz BWKCYGOGLIOFSK-FQEVSTJZSA-N 2 0 343.519 -0.769 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCN1c1cc[nH+]cc1 ZINC000883639513 584604091 /nfs/dbraw/zinc/60/40/91/584604091.db2.gz RDCHBHSLGSRFFU-KFWWJZLASA-N 2 0 343.431 -0.204 20 0 EBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000883651069 584604721 /nfs/dbraw/zinc/60/47/21/584604721.db2.gz HFBTZFDLFHZIKV-HNNXBMFYSA-N 2 0 340.468 -0.369 20 0 EBADRP O=C(NCCCN1CC[NH2+]CC1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884005594 584610470 /nfs/dbraw/zinc/61/04/70/584610470.db2.gz NHIXFLBZJWYYPI-UHFFFAOYSA-N 2 0 332.452 -0.484 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2C[NH2+]CC2(C)C)cn1 ZINC000884226116 584619144 /nfs/dbraw/zinc/61/91/44/584619144.db2.gz LDRJOJBDAUVXDT-ZDUSSCGKSA-N 2 0 336.440 -0.255 20 0 EBADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000884507945 584625139 /nfs/dbraw/zinc/62/51/39/584625139.db2.gz QFTGOZULBKKSSW-QWHCGFSZSA-N 2 0 325.457 -0.923 20 0 EBADRP CC(C)([NH3+])CCNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000884516668 584625371 /nfs/dbraw/zinc/62/53/71/584625371.db2.gz QNEVFXCDJREMGS-CQSZACIVSA-N 2 0 340.468 -0.010 20 0 EBADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)C2 ZINC000884560039 584627142 /nfs/dbraw/zinc/62/71/42/584627142.db2.gz LRQYFOWKQCYCJA-ZOMKSWQUSA-N 2 0 336.436 -0.966 20 0 EBADRP CCC1([NH3+])CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000884603978 584629750 /nfs/dbraw/zinc/62/97/50/584629750.db2.gz XCKWIYJJBPHJCS-CQSZACIVSA-N 2 0 340.468 -0.057 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000884637117 584630625 /nfs/dbraw/zinc/63/06/25/584630625.db2.gz BCFGZNJIYRESPM-XJKSGUPXSA-N 2 0 326.441 -0.861 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884637595 584630656 /nfs/dbraw/zinc/63/06/56/584630656.db2.gz TZTRJPABCOJJLI-QDMKHBRRSA-N 2 0 340.468 -0.282 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)C2(C[NH3+])CCCCC2)C1 ZINC000884642151 584631375 /nfs/dbraw/zinc/63/13/75/584631375.db2.gz BTDGNONAJGIFIE-CQSZACIVSA-N 2 0 340.468 -0.057 20 0 EBADRP C[C@H](CNC(=O)C(=O)NCCC(C)(C)[NH3+])C[NH+]1CCN(C)CC1 ZINC000884669802 584632611 /nfs/dbraw/zinc/63/26/11/584632611.db2.gz HGESKOFTAXMCQR-CYBMUJFWSA-N 2 0 327.473 -0.770 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000884722776 584635805 /nfs/dbraw/zinc/63/58/05/584635805.db2.gz KVIVTINZUJXHSZ-RBSFLKMASA-N 3 0 341.500 -0.702 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000884812675 584638250 /nfs/dbraw/zinc/63/82/50/584638250.db2.gz XAHHHUYGFFRWCM-UHFFFAOYSA-N 2 0 328.457 -0.282 20 0 EBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000884814715 584638468 /nfs/dbraw/zinc/63/84/68/584638468.db2.gz GNSOYVWQTFILHV-CYBMUJFWSA-N 2 0 326.441 -0.576 20 0 EBADRP CC1(C)C[NH2+]CC[C@H](NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000884966838 584641534 /nfs/dbraw/zinc/64/15/34/584641534.db2.gz VFHFBZCFICFARM-MELADBBJSA-N 2 0 338.452 -0.842 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000884974001 584641751 /nfs/dbraw/zinc/64/17/51/584641751.db2.gz KLBLWWSTZUBKCT-AWEZNQCLSA-N 2 0 342.484 -0.083 20 0 EBADRP CC(C)([NH3+])CCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000885200334 584645577 /nfs/dbraw/zinc/64/55/77/584645577.db2.gz BGZABSGDNHATKW-UHFFFAOYSA-N 2 0 340.468 -0.199 20 0 EBADRP CCN(C(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1)[C@@H]1CC[NH2+]C1 ZINC000887069142 584675223 /nfs/dbraw/zinc/67/52/23/584675223.db2.gz YPYYUZAMWZPINC-OAHLLOKOSA-N 2 0 340.468 -0.498 20 0 EBADRP CCN(C(=O)C(=O)N(C)CCC[N@H+](C)CCN(C)C)[C@@H]1CC[NH2+]C1 ZINC000887068723 584675267 /nfs/dbraw/zinc/67/52/67/584675267.db2.gz QSORCNJERJYJBY-OAHLLOKOSA-N 2 0 341.500 -0.461 20 0 EBADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000887091876 584676280 /nfs/dbraw/zinc/67/62/80/584676280.db2.gz ZLORDGRFSOGXJO-ZFWWWQNUSA-N 2 0 347.419 -0.695 20 0 EBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000887088203 584676417 /nfs/dbraw/zinc/67/64/17/584676417.db2.gz YAQFFZHGDDPTGJ-CQSZACIVSA-N 2 0 326.441 -0.759 20 0 EBADRP O[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)C[NH+]1CCCC1 ZINC000738383018 598524886 /nfs/dbraw/zinc/52/48/86/598524886.db2.gz UYCPMTGFZZGHHU-NWDGAFQWSA-N 2 0 347.427 -0.849 20 0 EBADRP O=C(C[NH2+]C[C@H]1CCCO1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000262106839 649986255 /nfs/dbraw/zinc/98/62/55/649986255.db2.gz VITLOQFUNCGQGM-NEPJUHHUSA-N 2 0 338.374 -0.293 20 0 EBADRP C[NH2+][C@@H](C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1cnn(C)c1 ZINC000517234400 650012159 /nfs/dbraw/zinc/01/21/59/650012159.db2.gz FKMJRYOKDUJPFZ-UKRRQHHQSA-N 2 0 348.451 -0.649 20 0 EBADRP COC[C@]1(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[NH2+]CCO1 ZINC000876730639 650043188 /nfs/dbraw/zinc/04/31/88/650043188.db2.gz ILHNZTBPKXPDBU-ZOBUZTSGSA-N 2 0 343.468 -0.003 20 0 EBADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH2+]CC3)o2)C1 ZINC000904300254 650048923 /nfs/dbraw/zinc/04/89/23/650048923.db2.gz ZZUWNCXTFCSCGY-AWEZNQCLSA-N 3 0 335.452 -0.024 20 0 EBADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)CCO1 ZINC000904955812 650051500 /nfs/dbraw/zinc/05/15/00/650051500.db2.gz GLHQKYJOMOIXAA-OLZOCXBDSA-N 2 0 328.457 -0.393 20 0 EBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCC4(C3)CC[NH2+]CC4)C[C@]2(C)C1 ZINC000904957606 650051992 /nfs/dbraw/zinc/05/19/92/650051992.db2.gz AJCBTOJTLZNQIM-PBHICJAKSA-N 2 0 334.464 -0.001 20 0 EBADRP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C1 ZINC000904990132 650055565 /nfs/dbraw/zinc/05/55/65/650055565.db2.gz OQNHIYDQYMHAJQ-RRFJBIMHSA-N 2 0 338.452 -0.759 20 0 EBADRP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000904990137 650055854 /nfs/dbraw/zinc/05/58/54/650055854.db2.gz OQNHIYDQYMHAJQ-ZNMIVQPWSA-N 2 0 338.452 -0.759 20 0 EBADRP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000904990130 650055959 /nfs/dbraw/zinc/05/59/59/650055959.db2.gz OQNHIYDQYMHAJQ-KKUMJFAQSA-N 2 0 338.452 -0.759 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C[C@@H](C)[NH2+]1 ZINC000904991672 650056439 /nfs/dbraw/zinc/05/64/39/650056439.db2.gz XACJRQQGYFFWCB-KBUPBQIOSA-N 2 0 338.452 -0.747 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000904995206 650056834 /nfs/dbraw/zinc/05/68/34/650056834.db2.gz KQIPRAAMMXQMDA-RHSMWYFYSA-N 2 0 338.452 -0.623 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000905016398 650059858 /nfs/dbraw/zinc/05/98/58/650059858.db2.gz RNAWRZNFSBRWNW-HNNXBMFYSA-N 2 0 347.419 -0.823 20 0 EBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@H]2COC)C1 ZINC000905015729 650060113 /nfs/dbraw/zinc/06/01/13/650060113.db2.gz QICUQMVSXAIBAU-KBPBESRZSA-N 2 0 326.441 -0.624 20 0 EBADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)C[C@H]1C[NH+](C)C ZINC000905360530 650063234 /nfs/dbraw/zinc/06/32/34/650063234.db2.gz VGRJHPOAKDONII-HZPDHXFCSA-N 3 0 346.541 -0.013 20 0 EBADRP C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)O2)CO1 ZINC000905483782 650063734 /nfs/dbraw/zinc/06/37/34/650063734.db2.gz GGWZKFKXNJYBFG-WCXIOVBPSA-N 2 0 327.469 -0.089 20 0 EBADRP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)CC2)C1=O ZINC000908186548 650097710 /nfs/dbraw/zinc/09/77/10/650097710.db2.gz WXMJLSJVEIQPEM-JKIFEVAISA-N 2 0 338.452 -0.747 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000910618001 650116551 /nfs/dbraw/zinc/11/65/51/650116551.db2.gz HXULPXRNDKKVEM-WMLDXEAASA-N 2 0 340.468 -0.567 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000910994172 650144001 /nfs/dbraw/zinc/14/40/01/650144001.db2.gz WOZSEAYWNNIURF-BYNSBNAKSA-N 2 0 338.452 -0.532 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C[C@H]1[NH3+] ZINC000911013051 650145218 /nfs/dbraw/zinc/14/52/18/650145218.db2.gz VXIVHWDFZYWKIF-REBRKWNGSA-N 2 0 338.452 -0.714 20 0 EBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[NH2+]C[C@H]1CCOC ZINC000911054840 650147754 /nfs/dbraw/zinc/14/77/54/650147754.db2.gz MCQPCNUHKOGENY-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC000911068062 650148886 /nfs/dbraw/zinc/14/88/86/650148886.db2.gz KATNBZYPJNYBEJ-KFWWJZLASA-N 2 0 339.484 -0.820 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000911068254 650149097 /nfs/dbraw/zinc/14/90/97/650149097.db2.gz VPFWSGMBWCHMHR-HNNXBMFYSA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C[C@H]1[NH3+] ZINC000911145833 650153508 /nfs/dbraw/zinc/15/35/08/650153508.db2.gz LSKWFAWOXDVWCF-CZUORRHYSA-N 2 0 345.447 -0.032 20 0 EBADRP CN(C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1(C[NH3+])CCOCC1 ZINC000911079751 650149669 /nfs/dbraw/zinc/14/96/69/650149669.db2.gz PEVSQFJCGUODGK-ZIAGYGMSSA-N 2 0 340.468 -0.058 20 0 EBADRP [NH3+][C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000911100042 650151273 /nfs/dbraw/zinc/15/12/73/650151273.db2.gz QIYLJKCVWSCASU-DZGCQCFKSA-N 2 0 338.452 -0.304 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CCC1 ZINC000911117618 650152047 /nfs/dbraw/zinc/15/20/47/650152047.db2.gz ZQGZJUBBRIEHJC-NXEZZACHSA-N 2 0 336.358 -0.065 20 0 EBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000911146214 650153856 /nfs/dbraw/zinc/15/38/56/650153856.db2.gz JUGQKGKACNNMLH-GMNPVEAJSA-N 2 0 348.369 -0.067 20 0 EBADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911149588 650154654 /nfs/dbraw/zinc/15/46/54/650154654.db2.gz YAWHPWMEPZXEBU-XGUBFFRZSA-N 2 0 336.436 -0.966 20 0 EBADRP C[C@H](NC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CN(C)CCO1 ZINC000911162197 650155517 /nfs/dbraw/zinc/15/55/17/650155517.db2.gz NSSYCGUEBUGYOW-RQJABVFESA-N 2 0 326.441 -0.817 20 0 EBADRP C[C@H](NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])[C@H]1CN(C)CCO1 ZINC000911161344 650155716 /nfs/dbraw/zinc/15/57/16/650155716.db2.gz IIEOTEWHRZGEBQ-AEAUEXCSSA-N 2 0 346.431 -0.437 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000911176933 650157300 /nfs/dbraw/zinc/15/73/00/650157300.db2.gz QMVOKEYCCNFGKR-UONOGXRCSA-N 2 0 328.457 -0.486 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000911208139 650159660 /nfs/dbraw/zinc/15/96/60/650159660.db2.gz JWUJMVPNQYDZOK-CQSZACIVSA-N 2 0 340.468 -0.057 20 0 EBADRP CN(C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)C1(C[NH3+])CCOCC1 ZINC000911222320 650160585 /nfs/dbraw/zinc/16/05/85/650160585.db2.gz CTXQQRDUMSGMRF-AWEZNQCLSA-N 2 0 338.452 -0.447 20 0 EBADRP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000911222312 650160628 /nfs/dbraw/zinc/16/06/28/650160628.db2.gz CNPUKITYZPBXFS-GJZGRUSLSA-N 2 0 338.452 -0.576 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000911240517 650162615 /nfs/dbraw/zinc/16/26/15/650162615.db2.gz JDUXAUJNJJXKQV-PBHICJAKSA-N 2 0 338.452 -0.432 20 0 EBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NCCCN1CCOCC1 ZINC000911246164 650162827 /nfs/dbraw/zinc/16/28/27/650162827.db2.gz FIYIFRWPWOTOIF-AWEZNQCLSA-N 2 0 326.441 -0.575 20 0 EBADRP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(=O)NCCCN1CCOCC1 ZINC000911246875 650162861 /nfs/dbraw/zinc/16/28/61/650162861.db2.gz KYCBSNGBGCTUTK-HZPDHXFCSA-N 2 0 346.431 -0.434 20 0 EBADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911258060 650163637 /nfs/dbraw/zinc/16/36/37/650163637.db2.gz LYKZJWUJIKADQC-AWEZNQCLSA-N 2 0 339.484 -0.756 20 0 EBADRP CN(C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1(C[NH3+])CCOCC1 ZINC000911269072 650164320 /nfs/dbraw/zinc/16/43/20/650164320.db2.gz HYPAHGZXHPEHJI-KGLIPLIRSA-N 2 0 338.452 -0.304 20 0 EBADRP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000911277515 650165715 /nfs/dbraw/zinc/16/57/15/650165715.db2.gz UXFURQIFDQHRDG-ILXRZTDVSA-N 2 0 338.452 -0.840 20 0 EBADRP [NH3+]C1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000911283056 650166127 /nfs/dbraw/zinc/16/61/27/650166127.db2.gz WVGUZDGUSGEEAS-WUCCLRPBSA-N 2 0 338.452 -0.570 20 0 EBADRP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000911282505 650166504 /nfs/dbraw/zinc/16/65/04/650166504.db2.gz UDRVIZNXBOQXMJ-BARDWOONSA-N 2 0 338.452 -0.570 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2)C[NH+](C)C ZINC000911303132 650168349 /nfs/dbraw/zinc/16/83/49/650168349.db2.gz OABMYXROWSKBAO-MRXNPFEDSA-N 2 0 348.447 -0.011 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC[NH2+]1 ZINC000911309481 650169463 /nfs/dbraw/zinc/16/94/63/650169463.db2.gz SNNVWPBUJQBAEV-TUVASFSCSA-N 2 0 338.452 -0.699 20 0 EBADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911310866 650169661 /nfs/dbraw/zinc/16/96/61/650169661.db2.gz WMIBVUCWMVSVHW-KFWWJZLASA-N 2 0 340.468 -0.322 20 0 EBADRP C[NH+](C)CC[C@H](NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)c1cccnc1 ZINC000911312152 650169988 /nfs/dbraw/zinc/16/99/88/650169988.db2.gz VQSCOBIYYBTPKB-CABCVRRESA-N 2 0 349.435 -0.705 20 0 EBADRP [NH3+]CC1(CCNC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000911321813 650170774 /nfs/dbraw/zinc/17/07/74/650170774.db2.gz HNWZBHMJXWEFRL-UONOGXRCSA-N 2 0 338.452 -0.711 20 0 EBADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)N1CCNCC[NH2+]CC1 ZINC000911324347 650171327 /nfs/dbraw/zinc/17/13/27/650171327.db2.gz ARUNREMMZXTAOU-CABCVRRESA-N 2 0 337.468 -0.859 20 0 EBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCN2CCC([NH3+])CC2)C1 ZINC000911414816 650180900 /nfs/dbraw/zinc/18/09/00/650180900.db2.gz QNMRYSBYTPIHBV-OAHLLOKOSA-N 2 0 339.484 -0.533 20 0 EBADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)c1cccnc1 ZINC000911417887 650181194 /nfs/dbraw/zinc/18/11/94/650181194.db2.gz CKNPXSPZEFPLJH-ZFWWWQNUSA-N 2 0 333.436 -0.002 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCSC[C@@H]23)CC[C@@H]1[NH3+] ZINC000911419320 650181571 /nfs/dbraw/zinc/18/15/71/650181571.db2.gz MJJXNHXAQOQZKA-RQJABVFESA-N 2 0 340.493 -0.122 20 0 EBADRP [NH3+]CC1CCN(C(=O)C(=O)N[C@H]2CCCN3CCSC[C@H]23)CC1 ZINC000911422248 650182645 /nfs/dbraw/zinc/18/26/45/650182645.db2.gz YQHOIASKPFQWLC-UONOGXRCSA-N 2 0 340.493 -0.120 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CCC([NH3+])(CC)CC1)C[NH+](C)C ZINC000911433751 650183553 /nfs/dbraw/zinc/18/35/53/650183553.db2.gz DHOVSNUSJFTVTE-ZDUSSCGKSA-N 2 0 328.457 -0.201 20 0 EBADRP CC[NH+](CC)CCOCCNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911520199 650189799 /nfs/dbraw/zinc/18/97/99/650189799.db2.gz FSKCJKQYFAPBNU-CYBMUJFWSA-N 2 0 328.457 -0.425 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)CCO1 ZINC000911532228 650190773 /nfs/dbraw/zinc/19/07/73/650190773.db2.gz KRWJBTWRFWMUPI-QWHCGFSZSA-N 2 0 326.441 -0.591 20 0 EBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C[C@H](C)O1 ZINC000911550040 650193147 /nfs/dbraw/zinc/19/31/47/650193147.db2.gz PIQWTFJOAJOHJV-QKGCVVFFSA-N 2 0 338.452 -0.389 20 0 EBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3C[C@H](C[NH3+])C3)CC2)C1 ZINC000911556281 650193591 /nfs/dbraw/zinc/19/35/91/650193591.db2.gz GYNIFEDRARWZFX-KKUMJFAQSA-N 2 0 337.468 -0.922 20 0 EBADRP C[C@@H](C[NH3+])N(C)C(=O)c1cc(Br)cn(CC[NH3+])c1=O ZINC000911814578 650196805 /nfs/dbraw/zinc/19/68/05/650196805.db2.gz UHZVVJNVCZANCB-QMMMGPOBSA-N 2 0 331.214 -0.011 20 0 EBADRP C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000912715604 650211462 /nfs/dbraw/zinc/21/14/62/650211462.db2.gz ZWLOPGMCOFTVOV-NVXWUHKLSA-N 2 0 325.453 -0.109 20 0 EBADRP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000913915448 650247908 /nfs/dbraw/zinc/24/79/08/650247908.db2.gz DEOIULLQIGRSJG-RBSFLKMASA-N 2 0 340.468 -0.452 20 0 EBADRP C[NH+]1CCCC[C@H]1C(=O)N[C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000913915445 650248405 /nfs/dbraw/zinc/24/84/05/650248405.db2.gz DEOIULLQIGRSJG-ILXRZTDVSA-N 2 0 340.468 -0.452 20 0 EBADRP C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000919071521 650294968 /nfs/dbraw/zinc/29/49/68/650294968.db2.gz KZYRSUBYDBUFPW-BZUAXINKSA-N 2 0 339.484 -0.215 20 0 EBADRP C[NH+](C)C1(CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000919073248 650295109 /nfs/dbraw/zinc/29/51/09/650295109.db2.gz VMGIQTUZAMFDFI-OAHLLOKOSA-N 2 0 339.484 -0.214 20 0 EBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@@H](O)COC[C@@H]1CCCO1)C2 ZINC000923428527 650339398 /nfs/dbraw/zinc/33/93/98/650339398.db2.gz IJHGHJKLTFDTQD-CLBVLKOUSA-N 2 0 342.436 -0.245 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O ZINC000923526671 650342849 /nfs/dbraw/zinc/34/28/49/650342849.db2.gz RMVLTSQDBQJXLV-IKGGRYGDSA-N 2 0 347.459 -0.120 20 0 EBADRP COCC[N@H+](C)C[C@H](O)CN(Cc1ccccc1)[C@@H]1C[NH2+]C[C@H]1O ZINC000923559165 650343846 /nfs/dbraw/zinc/34/38/46/650343846.db2.gz HUIUPEBRYXCVFN-RCCFBDPRSA-N 2 0 337.464 -0.240 20 0 EBADRP O=S(=O)(NCc1cc(O[C@@H]2CC[NH2+]C2)ccn1)[C@@H]1CCC[NH2+]C1 ZINC000923647232 650350725 /nfs/dbraw/zinc/35/07/25/650350725.db2.gz CSFDYOLDCRHVGV-HUUCEWRRSA-N 2 0 340.449 -0.006 20 0 EBADRP Cn1ccnc1CN([C@H]1CC12CC[NH2+]CC2)S(=O)(=O)C1C[NH2+]C1 ZINC000923660207 650351301 /nfs/dbraw/zinc/35/13/01/650351301.db2.gz VKZBRGIDQFRXME-ZDUSSCGKSA-N 2 0 339.465 -0.334 20 0 EBADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000925449224 650379489 /nfs/dbraw/zinc/37/94/89/650379489.db2.gz LLZKNQPEDLCJLF-INYHJIAOSA-N 2 0 336.480 -0.151 20 0 EBADRP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000926344169 650387528 /nfs/dbraw/zinc/38/75/28/650387528.db2.gz IWZWFNLYIHUHDF-WMLDXEAASA-N 2 0 338.452 -0.757 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000926294174 650385259 /nfs/dbraw/zinc/38/52/59/650385259.db2.gz CAEOCWGXYNNKOQ-CYBMUJFWSA-N 2 0 326.441 -0.637 20 0 EBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000926299027 650385264 /nfs/dbraw/zinc/38/52/64/650385264.db2.gz OSWNGILPMHAEOS-CZUORRHYSA-N 2 0 326.441 -0.759 20 0 EBADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000926315828 650385390 /nfs/dbraw/zinc/38/53/90/650385390.db2.gz QJRHRYOIIKSQGB-KRWDZBQOSA-N 2 0 340.468 -0.511 20 0 EBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)C1 ZINC000926349477 650388548 /nfs/dbraw/zinc/38/85/48/650388548.db2.gz HLYUQZZKNBHUKI-CKEIUWERSA-N 2 0 338.452 -0.759 20 0 EBADRP CC[NH+](CC)CCNC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000929094560 651532650 /nfs/dbraw/zinc/53/26/50/651532650.db2.gz UPNZMOIXTZBHJP-LSDHHAIUSA-N 2 0 340.468 -0.498 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1)C[NH+](C)C ZINC000930828696 651613025 /nfs/dbraw/zinc/61/30/25/651613025.db2.gz SDECHKDPYCAXEP-GJZGRUSLSA-N 2 0 342.484 -0.083 20 0 EBADRP CCN1CCN(C(=O)[C@H](C)[NH+]2CCC(O)(C[NH+](C)C)CC2)CC1 ZINC000931486031 651634963 /nfs/dbraw/zinc/63/49/63/651634963.db2.gz LDBDRMQPWAINOM-HNNXBMFYSA-N 2 0 326.485 -0.073 20 0 EBADRP CC(=O)N1CCN(C(=O)[C@H](C)[NH+]2CCC(O)(C[NH+](C)C)CC2)CC1 ZINC000931486508 651635026 /nfs/dbraw/zinc/63/50/26/651635026.db2.gz SKFFWPDTUGGLOD-AWEZNQCLSA-N 2 0 340.468 -0.546 20 0 EBADRP CC1(C)CNC(=O)[C@@H]1[NH2+]CCOCC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000931651838 651640640 /nfs/dbraw/zinc/64/06/40/651640640.db2.gz BSVVJLSBZBRENE-RYUDHWBXSA-N 2 0 326.441 -0.769 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N(CC)[C@@H]1CC[N@H+](C)C1)C[NH+](C)C ZINC000932469858 651683164 /nfs/dbraw/zinc/68/31/64/651683164.db2.gz PTIAWQWCUHEROE-KGLIPLIRSA-N 2 0 328.457 -0.378 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)C[NH+](C)C ZINC000932471670 651684005 /nfs/dbraw/zinc/68/40/05/651684005.db2.gz IHPNDGSYGLCWNQ-UONOGXRCSA-N 2 0 328.457 -0.378 20 0 EBADRP C[C@@H](O)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCc4nccn43)CC2)C1 ZINC000941436924 652737535 /nfs/dbraw/zinc/73/75/35/652737535.db2.gz LHMSWTQBKXQKTB-ZBFHGGJFSA-N 2 0 347.463 -0.030 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCN(C2C[NH+](C[C@H](C)O)C2)CC1)[NH+](C)C ZINC000941444431 652741528 /nfs/dbraw/zinc/74/15/28/652741528.db2.gz MATOVRZLPJBENM-HOCLYGCPSA-N 2 0 326.485 -0.218 20 0 EBADRP C[C@H](O)C[NH+]1CC(N2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC000941614724 652835436 /nfs/dbraw/zinc/83/54/36/652835436.db2.gz HQPICRYZLNCDJA-INIZCTEOSA-N 2 0 338.496 -0.073 20 0 EBADRP CO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000941856691 652931321 /nfs/dbraw/zinc/93/13/21/652931321.db2.gz VWTGWOUMJVHAOL-RRFJBIMHSA-N 2 0 338.452 -0.624 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000939760877 653041753 /nfs/dbraw/zinc/04/17/53/653041753.db2.gz YIQURUAOIUIGGX-CHWSQXEVSA-N 2 0 337.424 -0.930 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(O)(C[NH2+][C@@H]3CCNC3=O)CC2)C1 ZINC000946929090 653276507 /nfs/dbraw/zinc/27/65/07/653276507.db2.gz ZGVMSEGNPOSGHD-ZIAGYGMSSA-N 2 0 338.452 -0.840 20 0 EBADRP C[C@@H]1C[N@H+](CCN2CCNC2=O)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944918992 653290024 /nfs/dbraw/zinc/29/00/24/653290024.db2.gz LYIBBPXAZDVXHW-HUUCEWRRSA-N 2 0 337.468 -0.066 20 0 EBADRP C[C@@H](C(N)=O)[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)CCO2 ZINC000949244419 653849347 /nfs/dbraw/zinc/84/93/47/653849347.db2.gz GIYMWXGXHOJNPW-UONOGXRCSA-N 2 0 338.452 -0.495 20 0 EBADRP CC[NH+]1CCN(CCC(=O)N(CCO)C2CC[NH+](C)CC2)CC1 ZINC000911938079 719426878 /nfs/dbraw/zinc/42/68/78/719426878.db2.gz BJYHIWPPMNJGCX-UHFFFAOYSA-N 2 0 326.485 -0.071 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2C[N@H+](CC3CC3)C[C@H]2O)n1 ZINC000958076331 722301408 /nfs/dbraw/zinc/30/14/08/722301408.db2.gz DRBWOBRWGKVVOE-GOEBONIOSA-N 2 0 335.452 -0.123 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC000958214908 722328641 /nfs/dbraw/zinc/32/86/41/722328641.db2.gz OJMKLAMVNZHZIZ-HUUCEWRRSA-N 2 0 348.451 -0.685 20 0 EBADRP COCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000958248790 722333565 /nfs/dbraw/zinc/33/35/65/722333565.db2.gz OUDCBWXZBJBJTC-CJNGLKHVSA-N 2 0 345.403 -0.064 20 0 EBADRP C[NH+](C)CCc1ccccc1C(=O)NC[C@H]1C[N@H+](CCO)C[C@H]1O ZINC000958282820 722336921 /nfs/dbraw/zinc/33/69/21/722336921.db2.gz AJTSHCPYFCEKMN-DOTOQJQBSA-N 2 0 335.448 -0.195 20 0 EBADRP C[NH+](C)CCc1ccccc1C(=O)NC[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC000958282823 722337086 /nfs/dbraw/zinc/33/70/86/722337086.db2.gz AJTSHCPYFCEKMN-WBVHZDCISA-N 2 0 335.448 -0.195 20 0 EBADRP Cc1nn(C)cc1C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958373516 722354011 /nfs/dbraw/zinc/35/40/11/722354011.db2.gz GVMUHJVBICNMCI-DOTOQJQBSA-N 2 0 349.479 -0.021 20 0 EBADRP Cn1cc(C[N@@H+]2C[C@@H](O)[C@@H](CNC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC000958374001 722354108 /nfs/dbraw/zinc/35/41/08/722354108.db2.gz KLMDZTUPFLLNOZ-JKSUJKDBSA-N 2 0 335.452 -0.329 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)CC1 ZINC000958375439 722354284 /nfs/dbraw/zinc/35/42/84/722354284.db2.gz UEXRQIOQMJJZFL-HOTGVXAUSA-N 2 0 335.452 -0.366 20 0 EBADRP Cn1cc(C[N@H+]2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](O)C2)cn1 ZINC000958592564 722397657 /nfs/dbraw/zinc/39/76/57/722397657.db2.gz RTXPJWJMQILAER-HUUCEWRRSA-N 2 0 333.436 -0.575 20 0 EBADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC000958850474 722617956 /nfs/dbraw/zinc/61/79/56/722617956.db2.gz BGQXKNIAIWVIHQ-KKUMJFAQSA-N 2 0 338.452 -0.936 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1)[NH+](C)C ZINC001019033470 728777396 /nfs/dbraw/zinc/77/73/96/728777396.db2.gz PILBDGXWYRHLMY-SOUVJXGZSA-N 2 0 340.468 -0.236 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC2CC(C[NH2+][C@H]3CCNC3=O)C2)n1 ZINC000961847730 723099571 /nfs/dbraw/zinc/09/95/71/723099571.db2.gz JBTCXBHNAALGPD-RUXDESIVSA-N 2 0 348.451 -0.569 20 0 EBADRP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC[N@@H+]1C ZINC000961850218 723100055 /nfs/dbraw/zinc/10/00/55/723100055.db2.gz VGJRQTGBYCQVHL-IKWCTNDRSA-N 2 0 336.440 -0.567 20 0 EBADRP C[NH+](C)C1(C(=O)N2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)[C@@H](O)C2)CCC1 ZINC000961962872 723132510 /nfs/dbraw/zinc/13/25/10/723132510.db2.gz INTOVUGAPKPGMA-MCIONIFRSA-N 2 0 338.452 -0.747 20 0 EBADRP CC1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCN(C)C4=O)C[C@H]32)CC1 ZINC000962139606 723178709 /nfs/dbraw/zinc/17/87/09/723178709.db2.gz IHGNEOSKQSCAMD-QSJFSLAZSA-N 2 0 334.464 -0.005 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NC2CC(C[NH2+][C@@H]3CCNC3=O)C2)cn1 ZINC000962413822 723244400 /nfs/dbraw/zinc/24/44/00/723244400.db2.gz YMMDPAFPFXWDMG-PESDSKBTSA-N 2 0 348.451 -0.569 20 0 EBADRP O=C(NC1CC(C[NH2+][C@@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC000962541234 723279927 /nfs/dbraw/zinc/27/99/27/723279927.db2.gz OHBOZUGIDWJBST-WXRRBKDZSA-N 2 0 334.420 -0.628 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCCCC4)C[C@H]32)C1 ZINC000962553103 723282899 /nfs/dbraw/zinc/28/28/99/723282899.db2.gz KTMYLVDRLISOBG-AIANPOQGSA-N 2 0 334.464 -0.003 20 0 EBADRP CC(C)(C(=O)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)[NH+]1CCCC1 ZINC001019231287 728831797 /nfs/dbraw/zinc/83/17/97/728831797.db2.gz WFRLDZJTPKWBFN-QWHCGFSZSA-N 2 0 336.436 -0.144 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2O)CC1 ZINC000968466857 725070206 /nfs/dbraw/zinc/07/02/06/725070206.db2.gz UHXXTBOQMBUVBH-CABCVRRESA-N 2 0 338.452 -0.888 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1)C1CC1 ZINC000968912746 725128388 /nfs/dbraw/zinc/12/83/88/725128388.db2.gz QLIWPQUBFZQUEC-ZBFHGGJFSA-N 2 0 338.452 -0.624 20 0 EBADRP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](CCN2C(=O)CNC2=O)C1 ZINC000969411410 725177781 /nfs/dbraw/zinc/17/77/81/725177781.db2.gz KEWIKCUADTYIMA-YPMHNXCESA-N 2 0 337.424 -0.931 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H]([NH2+][C@H]3CCCNC3=O)C2)cn1 ZINC000970230974 725265407 /nfs/dbraw/zinc/26/54/07/725265407.db2.gz HUMBEKDFMBOPMO-CABCVRRESA-N 2 0 348.451 -0.473 20 0 EBADRP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC000970499640 725295928 /nfs/dbraw/zinc/29/59/28/725295928.db2.gz UYHCYVRQXIGQCF-CYBMUJFWSA-N 2 0 346.435 -0.023 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CCN3CCCS3(=O)=O)C2)C1 ZINC000970713067 725319886 /nfs/dbraw/zinc/31/98/86/725319886.db2.gz WJXIIMOHLURWQQ-ZIAGYGMSSA-N 2 0 344.481 -0.836 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC000970723611 725320300 /nfs/dbraw/zinc/32/03/00/725320300.db2.gz CZSPYHREAQMNHJ-HUUCEWRRSA-N 2 0 336.440 -0.563 20 0 EBADRP O=C(CC[NH+]1CCCCC1)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC000970791890 725328809 /nfs/dbraw/zinc/32/88/09/725328809.db2.gz BJWULDJDQJYVHK-KGLIPLIRSA-N 2 0 336.436 -0.142 20 0 EBADRP C[N@H+]([C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)[C@@H]1CCC(=O)NC1=O ZINC000972235845 725482307 /nfs/dbraw/zinc/48/23/07/725482307.db2.gz RPKHJIFSIOMVEC-ZIAGYGMSSA-N 2 0 336.436 -0.334 20 0 EBADRP C[NH+](C)C1(C(=O)N2CCO[C@H](C[NH2+][C@H]3CCCNC3=O)C2)CCC1 ZINC001051651369 735292446 /nfs/dbraw/zinc/29/24/46/735292446.db2.gz KWSFOCXGOTVSDO-KGLIPLIRSA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH+](C)CCN3CCNC3=O)C2)C1 ZINC000972336781 725500858 /nfs/dbraw/zinc/50/08/58/725500858.db2.gz ZTSKYRFOPOGDIZ-LSDHHAIUSA-N 2 0 337.468 -0.114 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC(NC(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000991740972 725595548 /nfs/dbraw/zinc/59/55/48/725595548.db2.gz YYPBATIJOHLADQ-HIFRSBDPSA-N 2 0 338.452 -0.626 20 0 EBADRP C[NH+]1CCC(C(=O)N2CC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC000991883402 725665545 /nfs/dbraw/zinc/66/55/45/725665545.db2.gz DCQMVQQYTRWQQH-MRXNPFEDSA-N 2 0 334.464 -0.003 20 0 EBADRP O=C(N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1)C12CCC[NH+]1CCC2 ZINC001051697304 735332365 /nfs/dbraw/zinc/33/23/65/735332365.db2.gz BBKXXSQIPKGKOK-KBPBESRZSA-N 2 0 336.436 -0.680 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC000994599229 726038943 /nfs/dbraw/zinc/03/89/43/726038943.db2.gz FRJWAMBSBASRPC-JSGCOSHPSA-N 2 0 331.420 -0.133 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC000994599231 726039137 /nfs/dbraw/zinc/03/91/37/726039137.db2.gz FRJWAMBSBASRPC-OCCSQVGLSA-N 2 0 331.420 -0.133 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995078424 726158408 /nfs/dbraw/zinc/15/84/08/726158408.db2.gz JVYNAQNMVHFRGM-GXTWGEPZSA-N 2 0 335.456 -0.074 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCN2CCNC2=O)C(C)(C)C1 ZINC000995550642 726274136 /nfs/dbraw/zinc/27/41/36/726274136.db2.gz KHSRVIFXDXFSGZ-KBPBESRZSA-N 2 0 337.468 -0.068 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]CCN2CCNC2=O)C(C)(C)C1 ZINC000995550643 726274241 /nfs/dbraw/zinc/27/42/41/726274241.db2.gz KHSRVIFXDXFSGZ-KGLIPLIRSA-N 2 0 337.468 -0.068 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC000976542854 726341615 /nfs/dbraw/zinc/34/16/15/726341615.db2.gz XWFYSTQKMRATNX-NMNMXBMNSA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCC[NH+]4C)C[C@H]32)CC[N@@H+]1C ZINC000976595941 726357790 /nfs/dbraw/zinc/35/77/90/726357790.db2.gz ODGILEGOMMLSBG-ODICJLLRSA-N 2 0 334.464 -0.006 20 0 EBADRP O=C(NC1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1)C12CC[NH+](CC1)C2 ZINC000996472052 726401763 /nfs/dbraw/zinc/40/17/63/726401763.db2.gz HREBEONXSSVKQQ-OAHLLOKOSA-N 2 0 332.448 -0.249 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC([NH2+]CCN2CCNC2=O)CC1 ZINC000996561015 726418466 /nfs/dbraw/zinc/41/84/66/726418466.db2.gz NBVQZNWWNRZBNF-MRXNPFEDSA-N 2 0 349.479 -0.066 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC000996998555 726434407 /nfs/dbraw/zinc/43/44/07/726434407.db2.gz KPBPDGGCQONTBG-JSGCOSHPSA-N 2 0 336.436 -0.144 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]CCN2CCNC2=O)CC1 ZINC000997003939 726434578 /nfs/dbraw/zinc/43/45/78/726434578.db2.gz AWRQWDNAROWAMH-UKRRQHHQSA-N 2 0 337.468 -0.210 20 0 EBADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC([NH2+]CCN2CCNC2=O)C1 ZINC000998780182 726497644 /nfs/dbraw/zinc/49/76/44/726497644.db2.gz KGMXPYNOUQSVNB-UYSNPLJNSA-N 2 0 349.479 -0.068 20 0 EBADRP C[C@@H]([NH2+]C1CC(N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1)C(N)=O ZINC000998785250 726497880 /nfs/dbraw/zinc/49/78/80/726497880.db2.gz LHBDNEPLTNNMAP-PNESKVBLSA-N 2 0 336.440 -0.489 20 0 EBADRP CN(C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)C1CC([NH2+]CC(N)=O)C1 ZINC000998900177 726500479 /nfs/dbraw/zinc/50/04/79/726500479.db2.gz VBDYNZHJCSTNRR-PESDSKBTSA-N 2 0 338.452 -0.306 20 0 EBADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC([NH2+]CCN2CCNC2=O)C1 ZINC000999687030 726527722 /nfs/dbraw/zinc/52/77/22/726527722.db2.gz DJIWZABMIOQJDK-WLYUNCDWSA-N 2 0 337.468 -0.068 20 0 EBADRP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]CCN2CCNC2=O)C1 ZINC000999708786 726529184 /nfs/dbraw/zinc/52/91/84/726529184.db2.gz ODSFIWLVRJWIBW-UHFFFAOYSA-N 2 0 335.452 -0.314 20 0 EBADRP Cc1nc[nH]c1CC(=O)N(C)C1CC([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC000999747768 726530691 /nfs/dbraw/zinc/53/06/91/726530691.db2.gz PRJIGCIUXPDSJV-HTAVTVPLSA-N 2 0 333.392 -0.355 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001000192723 726558162 /nfs/dbraw/zinc/55/81/62/726558162.db2.gz NAWJGWSSMJCKDH-HUUCEWRRSA-N 2 0 337.468 -0.066 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CCC[C@H]([NH2+][C@H]3CCNC3=O)C2)cn1 ZINC001000429364 726566828 /nfs/dbraw/zinc/56/68/28/726566828.db2.gz CEQXQJYQUZMNKL-GJZGRUSLSA-N 2 0 348.451 -0.473 20 0 EBADRP O=C(N1CCC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)C12CC[NH+](CC1)C2 ZINC001000711333 726575740 /nfs/dbraw/zinc/57/57/40/726575740.db2.gz OCPJWQIIADVCBN-CQSZACIVSA-N 2 0 348.447 -0.188 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001000922368 726583953 /nfs/dbraw/zinc/58/39/53/726583953.db2.gz AQSDWTVZCAPQLX-KGLIPLIRSA-N 2 0 336.436 -0.332 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001003629353 726682662 /nfs/dbraw/zinc/68/26/62/726682662.db2.gz ZOZXGXCUXBGLGP-OCCSQVGLSA-N 2 0 336.436 -0.144 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]32)C1 ZINC001009084589 726855357 /nfs/dbraw/zinc/85/53/57/726855357.db2.gz PWPCZTZHEWDTKC-YHUYYLMFSA-N 2 0 334.464 -0.146 20 0 EBADRP COc1nccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CCO2)n1 ZINC001051931568 735469395 /nfs/dbraw/zinc/46/93/95/735469395.db2.gz CZWIBYSRVKWTKW-UKRRQHHQSA-N 2 0 349.435 -0.246 20 0 EBADRP CN1CCC[C@H]([NH2+]C[C@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)C1=O ZINC001051931705 735469402 /nfs/dbraw/zinc/46/94/02/735469402.db2.gz CKNREZWJDBLCOA-GJZGRUSLSA-N 2 0 338.452 -0.480 20 0 EBADRP CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001051932145 735469942 /nfs/dbraw/zinc/46/99/42/735469942.db2.gz LOSMOABUGPZCAB-HIFRSBDPSA-N 2 0 336.440 -0.433 20 0 EBADRP CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)C1=O ZINC001051935831 735473677 /nfs/dbraw/zinc/47/36/77/735473677.db2.gz YGRJRNDRMLUROE-HUUCEWRRSA-N 2 0 338.452 -0.480 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N3CC[NH+](CCO)CC3)C2)CC[N@@H+]1C ZINC001052031383 735512229 /nfs/dbraw/zinc/51/22/29/735512229.db2.gz MDHHWZADFXDQOD-IXDOHACOSA-N 2 0 338.496 -0.073 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CC[C@@H](N2CC[NH+](CCCO)CC2)C1)C1CC1 ZINC001052036313 735514139 /nfs/dbraw/zinc/51/41/39/735514139.db2.gz LCIKUTLAVXNMKA-IAGOWNOFSA-N 2 0 338.496 -0.073 20 0 EBADRP O=C(N1CC[C@@H](N2CC[NH+](CCO)CC2)C1)C12CCC[NH+]1CCC2 ZINC001052047567 735520489 /nfs/dbraw/zinc/52/04/89/735520489.db2.gz QYXZPBWILRADIV-MRXNPFEDSA-N 2 0 336.480 -0.174 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)N2CC[C@H](N3CC[NH+](CCO)CC3)C2)C1 ZINC001052084758 735538701 /nfs/dbraw/zinc/53/87/01/735538701.db2.gz YJJQIRPAAHHRGB-INIZCTEOSA-N 2 0 338.496 -0.071 20 0 EBADRP O=C(N1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)C12CC[NH+](CC1)C2 ZINC001019661014 728967946 /nfs/dbraw/zinc/96/79/46/728967946.db2.gz RDOPPSLUZBHQQG-ZDUSSCGKSA-N 2 0 334.420 -0.578 20 0 EBADRP Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)nn1 ZINC001020178654 729091784 /nfs/dbraw/zinc/09/17/84/729091784.db2.gz AOQGJODZBMLUEW-GBOPCIDUSA-N 2 0 334.424 -0.585 20 0 EBADRP CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)C1=O ZINC001020286541 729124306 /nfs/dbraw/zinc/12/43/06/729124306.db2.gz CBGQFKICOBOLPY-KJWHEZOQSA-N 2 0 338.452 -0.437 20 0 EBADRP Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)nn1 ZINC001020405743 729159858 /nfs/dbraw/zinc/15/98/58/729159858.db2.gz BLAIOTSESUIYRK-PWCZCJRZSA-N 2 0 346.435 -0.585 20 0 EBADRP Cn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001020406046 729160190 /nfs/dbraw/zinc/16/01/90/729160190.db2.gz JGVYSWKBHWBMGT-PWCZCJRZSA-N 2 0 346.435 -0.585 20 0 EBADRP Cn1cnnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001020405775 729160203 /nfs/dbraw/zinc/16/02/03/729160203.db2.gz BWISJMVEPSCEDM-BUWUWWBNSA-N 2 0 346.435 -0.585 20 0 EBADRP O=C(N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001020407070 729160668 /nfs/dbraw/zinc/16/06/68/729160668.db2.gz NAAXFKPESRSPQC-VXSWHIBVSA-N 2 0 346.435 -0.622 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001020542173 729198706 /nfs/dbraw/zinc/19/87/06/729198706.db2.gz YKVGSYOHDLJPEO-BPLDGKMQSA-N 2 0 343.493 0.000 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)C1 ZINC001021047542 729274737 /nfs/dbraw/zinc/27/47/37/729274737.db2.gz GWQWIVLIQHITMH-RBSFLKMASA-N 2 0 343.493 0.000 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)nc1=O ZINC001022078261 729452088 /nfs/dbraw/zinc/45/20/88/729452088.db2.gz ZQQHTWARKLAFIE-MQYQWHSLSA-N 2 0 348.451 -0.280 20 0 EBADRP Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022119361 729457332 /nfs/dbraw/zinc/45/73/32/729457332.db2.gz FBRUKEAYNYDCOO-RQJABVFESA-N 2 0 334.424 -0.585 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001022292609 729474463 /nfs/dbraw/zinc/47/44/63/729474463.db2.gz OQFPKUONELCHJZ-QLFBSQMISA-N 2 0 338.452 -0.434 20 0 EBADRP Cn1cnnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001022451512 729495168 /nfs/dbraw/zinc/49/51/68/729495168.db2.gz BWISJMVEPSCEDM-ZYZJXQEISA-N 2 0 346.435 -0.585 20 0 EBADRP CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1=O ZINC001022455176 729495617 /nfs/dbraw/zinc/49/56/17/729495617.db2.gz JWDXNMGKUCEBCH-YJGOIOHGSA-N 2 0 348.447 -0.683 20 0 EBADRP O=C(N[C@@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001022452617 729495635 /nfs/dbraw/zinc/49/56/35/729495635.db2.gz OZQRNBJXCHWRGH-UKEFIBGASA-N 2 0 348.447 -0.635 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CCN2CCNC2=O)C1 ZINC001023274110 729654995 /nfs/dbraw/zinc/65/49/95/729654995.db2.gz SUBIRIINWVXWAM-HUUCEWRRSA-N 2 0 337.468 -0.066 20 0 EBADRP CNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023550833 729721591 /nfs/dbraw/zinc/72/15/91/729721591.db2.gz NTDMSAXQRFBHTQ-CABCVRRESA-N 2 0 340.468 -0.330 20 0 EBADRP CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1)[NH+](C)C ZINC001024161172 729853367 /nfs/dbraw/zinc/85/33/67/729853367.db2.gz HMTSWERAMFEVQY-STQMWFEESA-N 2 0 338.456 -0.223 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCC[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001024267274 729867984 /nfs/dbraw/zinc/86/79/84/729867984.db2.gz ADYWZVIFUHNOKB-ZIAGYGMSSA-N 2 0 336.436 -0.284 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)[C@H]1C[NH+]2CCC1CC2 ZINC001025787211 730088293 /nfs/dbraw/zinc/08/82/93/730088293.db2.gz ADHGTRCFPYBBGN-ZHMBSYLPSA-N 2 0 346.431 -0.820 20 0 EBADRP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001025787557 730088419 /nfs/dbraw/zinc/08/84/19/730088419.db2.gz RKXMVTPARZGIQV-XJBGLIRHSA-N 2 0 334.464 -0.149 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21)[C@@H]1C[NH+]2CCC1CC2 ZINC001025787576 730088499 /nfs/dbraw/zinc/08/84/99/730088499.db2.gz UWAUBJSSTXBVFS-LJIZCISZSA-N 2 0 332.448 -0.347 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025798631 730090577 /nfs/dbraw/zinc/09/05/77/730090577.db2.gz BDOBHNVGYNJLFP-LJIZCISZSA-N 2 0 346.435 -0.812 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@H]4CCN(C)C4=O)C[C@H]32)CC[N@@H+]1C ZINC001025975580 730114094 /nfs/dbraw/zinc/11/40/94/730114094.db2.gz AJQQGSVWCQJNIX-WGGGBPLMSA-N 2 0 334.464 -0.006 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001026043414 730117523 /nfs/dbraw/zinc/11/75/23/730117523.db2.gz RRTOERUUWWSRRF-IMSKVBIZSA-N 2 0 347.463 -0.225 20 0 EBADRP CN1CCC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC[NH+](C)C2)C1=O ZINC001026140419 730124486 /nfs/dbraw/zinc/12/44/86/730124486.db2.gz NWMUMECIXYRAKJ-KDEOKCCVSA-N 2 0 334.464 -0.005 20 0 EBADRP Cn1nnnc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]12 ZINC001026401133 730143501 /nfs/dbraw/zinc/14/35/01/730143501.db2.gz VAYIVJAXGSEMCP-MGPQQGTHSA-N 2 0 345.451 -0.368 20 0 EBADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CC[C@@H]([NH2+]CCN3CCNC3=O)[C@H]2C1 ZINC001026420144 730144588 /nfs/dbraw/zinc/14/45/88/730144588.db2.gz DTGBJASZEXLAJG-HRCADAONSA-N 2 0 349.479 -0.066 20 0 EBADRP O=C(NC1CCC([NH2+][C@H]2CCC(=O)NC2=O)CC1)C12CC[NH+](CC1)C2 ZINC001026593340 730151749 /nfs/dbraw/zinc/15/17/49/730151749.db2.gz KSBLJWKWJQFOEB-RUXDESIVSA-N 2 0 348.447 -0.096 20 0 EBADRP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001026964354 730177047 /nfs/dbraw/zinc/17/70/47/730177047.db2.gz LUJUSYOREFUVBF-XOSUWLCWSA-N 2 0 347.419 -0.129 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)nc1=O ZINC001027036351 730184680 /nfs/dbraw/zinc/18/46/80/730184680.db2.gz YBKTZFQQGNYOTE-LBPRGKRZSA-N 2 0 336.440 -0.612 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001027066122 730186032 /nfs/dbraw/zinc/18/60/32/730186032.db2.gz MDEJFNRKFFLNJV-ZDUSSCGKSA-N 2 0 335.456 -0.120 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CC[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001027146305 730192485 /nfs/dbraw/zinc/19/24/85/730192485.db2.gz JJMTXUXLDHYLNT-DZGCQCFKSA-N 2 0 338.452 -0.576 20 0 EBADRP C[C@H]([NH2+]C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)c1nnnn1C ZINC001027173261 730194931 /nfs/dbraw/zinc/19/49/31/730194931.db2.gz NJRIMVNVDJMJJZ-STQMWFEESA-N 2 0 333.440 -0.195 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@H](C[NH2+]Cc2nnc3n2CCOC3)C1 ZINC001027217590 730199959 /nfs/dbraw/zinc/19/99/59/730199959.db2.gz MMDWZPTWIQPYGM-CQSZACIVSA-N 2 0 348.451 -0.158 20 0 EBADRP O=C(NC[C@H]1CCC[N@@H+]1CCN1CCNC1=O)[C@H]1C[NH+]2CCC1CC2 ZINC001027886269 730245624 /nfs/dbraw/zinc/24/56/24/730245624.db2.gz QPJMOPKMGVCMLQ-CVEARBPZSA-N 2 0 349.479 -0.066 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCN2C(=O)CNC2=O)C1 ZINC001028448332 730293525 /nfs/dbraw/zinc/29/35/25/730293525.db2.gz DFJXYVAHMJSJNI-STQMWFEESA-N 2 0 337.424 -0.930 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028699278 730341449 /nfs/dbraw/zinc/34/14/49/730341449.db2.gz WLANUUCBSPFSIJ-PEUXKQIOSA-N 2 0 336.436 -0.966 20 0 EBADRP CN1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCCNC2=O)C1 ZINC001029255486 730395354 /nfs/dbraw/zinc/39/53/54/730395354.db2.gz NOVHQUIIMKUZRT-BARDWOONSA-N 2 0 336.436 -0.729 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCC(=O)NC1=O)C1CC1 ZINC001029338251 730399634 /nfs/dbraw/zinc/39/96/34/730399634.db2.gz WJYRJGDPMCGRMH-KNCOVGOOSA-N 2 0 348.447 -0.193 20 0 EBADRP O=C(NCC1C[NH+](C[C@H](O)Cn2cccn2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001031672533 730749066 /nfs/dbraw/zinc/74/90/66/730749066.db2.gz JKZXSYYIQLEDMQ-DLBZAZTESA-N 2 0 347.463 -0.366 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC2CN(C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001032186021 730823743 /nfs/dbraw/zinc/82/37/43/730823743.db2.gz GKNBKMNDGHPRBB-JSGCOSHPSA-N 2 0 329.466 -0.579 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C[C@H]2CCS(=O)(=O)C2)C1 ZINC001032828500 730940232 /nfs/dbraw/zinc/94/02/32/730940232.db2.gz ABVLWNYPHVAOJR-HZSPNIEDSA-N 2 0 329.466 -0.294 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](C[C@H](O)CN3CCCC3=O)C2)C1 ZINC001032833257 730941589 /nfs/dbraw/zinc/94/15/89/730941589.db2.gz RQESLCKKFFOLEG-ILXRZTDVSA-N 2 0 338.452 -0.888 20 0 EBADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001033080757 730967565 /nfs/dbraw/zinc/96/75/65/730967565.db2.gz IYLNBCIRUNFUOT-HOTGVXAUSA-N 2 0 349.479 -0.114 20 0 EBADRP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001033398075 731018795 /nfs/dbraw/zinc/01/87/95/731018795.db2.gz VHPVETZJRAPLHU-OAHLLOKOSA-N 2 0 337.468 -0.114 20 0 EBADRP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC001033665075 731058954 /nfs/dbraw/zinc/05/89/54/731058954.db2.gz LEZPCSAHFRUSHG-HOTGVXAUSA-N 2 0 335.452 -0.128 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CCC[C@@H]2C[NH2+][C@H]2CCNC2=O)n1 ZINC001034940559 731165507 /nfs/dbraw/zinc/16/55/07/731165507.db2.gz VVPRDAGVVTWMLL-KGLIPLIRSA-N 2 0 348.451 -0.473 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001034939632 731165647 /nfs/dbraw/zinc/16/56/47/731165647.db2.gz IGPSFUYBGCCADI-JHJVBQTASA-N 2 0 336.440 -0.471 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[NH+]3CCC2CC3)nc1=O ZINC001034941259 731166027 /nfs/dbraw/zinc/16/60/27/731166027.db2.gz LVENDWBHXCJWSE-ZIAGYGMSSA-N 2 0 348.451 -0.469 20 0 EBADRP O=C(N1CCC[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1=O)C12CC[NH+](CC1)C2 ZINC001035103247 731186317 /nfs/dbraw/zinc/18/63/17/731186317.db2.gz XKDVPHPCIIRBNS-CHWSQXEVSA-N 2 0 334.420 -0.532 20 0 EBADRP O=C(NC[C@H]1CC[N@H+]1C[C@@H](O)Cn1cccn1)C12CC[NH+](CC1)C2 ZINC001038922572 731393176 /nfs/dbraw/zinc/39/31/76/731393176.db2.gz XPNAWQXDNIJLIX-HUUCEWRRSA-N 2 0 333.436 -0.470 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001039760441 731523304 /nfs/dbraw/zinc/52/33/04/731523304.db2.gz MRYNBEOVOMDREB-PBHICJAKSA-N 2 0 340.468 -0.641 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001039763776 731526483 /nfs/dbraw/zinc/52/64/83/731526483.db2.gz KEPKQPMBSOPJMU-WMLDXEAASA-N 2 0 338.452 -0.744 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001039784443 731532841 /nfs/dbraw/zinc/53/28/41/731532841.db2.gz DTHYJZHJLWXUMH-KRWDZBQOSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@]1(O)CCN(C(=O)C[NH+](CC)CC)C1 ZINC001039786478 731534483 /nfs/dbraw/zinc/53/44/83/731534483.db2.gz TUKBMZTVYGVRAC-QGZVFWFLSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001040116822 731606790 /nfs/dbraw/zinc/60/67/90/731606790.db2.gz DPWMIGFGGADATN-RDJZCZTQSA-N 2 0 340.468 -0.642 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001040248926 731664918 /nfs/dbraw/zinc/66/49/18/731664918.db2.gz URXLUMXBJDDCDM-PBHICJAKSA-N 2 0 340.468 -0.498 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)CCC[NH+](C)C)C1 ZINC001040449120 731738503 /nfs/dbraw/zinc/73/85/03/731738503.db2.gz FESAWOHPPSILNA-KRWDZBQOSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001040796176 731877912 /nfs/dbraw/zinc/87/79/12/731877912.db2.gz UEWSZUDUUABHSF-XJKSGUPXSA-N 2 0 326.441 -0.888 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001040797489 731878874 /nfs/dbraw/zinc/87/88/74/731878874.db2.gz HQYFXGGPIYJZNS-KRWDZBQOSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001040798657 731879750 /nfs/dbraw/zinc/87/97/50/731879750.db2.gz UMJLVMPQXIUVTA-WMLDXEAASA-N 2 0 340.468 -0.641 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@]3(CC[NH+](CCN4CCNC4=O)C3)C2)C1 ZINC001041829643 732234907 /nfs/dbraw/zinc/23/49/07/732234907.db2.gz ABDOIRYQIHAVMY-QAPCUYQASA-N 2 0 349.479 -0.112 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@]2(CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001041830462 732235263 /nfs/dbraw/zinc/23/52/63/732235263.db2.gz IGKUXENTOYIKTL-KSSFIOAISA-N 2 0 348.447 -0.188 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@]2(CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001041830461 732235282 /nfs/dbraw/zinc/23/52/82/732235282.db2.gz IGKUXENTOYIKTL-KDOFPFPSSA-N 2 0 348.447 -0.188 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041835417 732236289 /nfs/dbraw/zinc/23/62/89/732236289.db2.gz SVTCOMULCMPFJN-WBVHZDCISA-N 2 0 325.453 -0.129 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1)C1CC1 ZINC001042103464 732313938 /nfs/dbraw/zinc/31/39/38/732313938.db2.gz FPCSVAFORXVVJA-KGLIPLIRSA-N 2 0 338.452 -0.890 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001043115323 732764664 /nfs/dbraw/zinc/76/46/64/732764664.db2.gz GYOVEKKAZCAVIY-KBPBESRZSA-N 2 0 338.452 -0.888 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)C1 ZINC001043123890 732771905 /nfs/dbraw/zinc/77/19/05/732771905.db2.gz JVCKTWOAIVVLAX-AWEZNQCLSA-N 2 0 338.452 -0.887 20 0 EBADRP C[NH+]1CCC(C(=O)N2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)CC1 ZINC001043124824 732773326 /nfs/dbraw/zinc/77/33/26/732773326.db2.gz VGGSLUJPJGZJCU-UHFFFAOYSA-N 2 0 338.452 -0.887 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@H]1COCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001061605814 738646167 /nfs/dbraw/zinc/64/61/67/738646167.db2.gz ZQHQRGYJCKEZHL-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3CCC[NH+]3C)C2)CC[N@@H+]1C ZINC001043263496 732848737 /nfs/dbraw/zinc/84/87/37/732848737.db2.gz LBVVWMANBRCDKX-MGPQQGTHSA-N 2 0 338.452 -0.890 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001043265487 732849299 /nfs/dbraw/zinc/84/92/99/732849299.db2.gz AWXJTASDRHYKDD-ZIAGYGMSSA-N 2 0 340.468 -0.644 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001043429753 732934401 /nfs/dbraw/zinc/93/44/01/732934401.db2.gz FJFDLAVFAIHPEK-AWEZNQCLSA-N 2 0 340.468 -0.500 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001043461107 732952158 /nfs/dbraw/zinc/95/21/58/732952158.db2.gz BSLQLNADPBGXRF-OAHLLOKOSA-N 2 0 340.468 -0.642 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1)C1CC1 ZINC001043461159 732952330 /nfs/dbraw/zinc/95/23/30/732952330.db2.gz CIVJBRVGDKVVMC-HNNXBMFYSA-N 2 0 338.452 -0.888 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001043461650 732952889 /nfs/dbraw/zinc/95/28/89/732952889.db2.gz FFXMAQZUIIGFER-OAHLLOKOSA-N 2 0 340.468 -0.644 20 0 EBADRP CC[C@H](C(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1)[NH+](C)C ZINC001043463192 732955319 /nfs/dbraw/zinc/95/53/19/732955319.db2.gz LTWZKNPEPYDFLD-ZIAGYGMSSA-N 2 0 340.468 -0.644 20 0 EBADRP CC(C)[C@@H](C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1)[NH+](C)C ZINC001043469533 732959431 /nfs/dbraw/zinc/95/94/31/732959431.db2.gz PMTCVZNGKYPJLD-HNNXBMFYSA-N 2 0 340.468 -0.642 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1COCCN1C(=O)CC[NH+](C)C ZINC001061651654 738673053 /nfs/dbraw/zinc/67/30/53/738673053.db2.gz UHXVKXQEQFTGTJ-AWEZNQCLSA-N 2 0 328.457 -0.378 20 0 EBADRP CC[C@H](C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1)[NH+](C)C ZINC001043678929 733056127 /nfs/dbraw/zinc/05/61/27/733056127.db2.gz UQDPZFDOWJWUHY-ZIAGYGMSSA-N 2 0 340.468 -0.642 20 0 EBADRP Cc1cncn1CC(=O)NCC1(O)CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043909363 733192676 /nfs/dbraw/zinc/19/26/76/733192676.db2.gz HYHISJQJZWRCDR-AWEZNQCLSA-N 2 0 349.435 -0.777 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)CCn2ccnc2)C1 ZINC001044138016 733298977 /nfs/dbraw/zinc/29/89/77/733298977.db2.gz VFPZGWHJOFTDAO-CYBMUJFWSA-N 2 0 335.408 -0.943 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001044302057 733368195 /nfs/dbraw/zinc/36/81/95/733368195.db2.gz FTZCLXFKKAYTHE-CYBMUJFWSA-N 2 0 326.441 -0.888 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001044302543 733368517 /nfs/dbraw/zinc/36/85/17/733368517.db2.gz LTCARFGFGIWALN-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001044772592 733502396 /nfs/dbraw/zinc/50/23/96/733502396.db2.gz WQQGCKSOCWGXEA-JSGCOSHPSA-N 2 0 336.440 -0.487 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NCC2(O)CN(C(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001045148546 733602181 /nfs/dbraw/zinc/60/21/81/733602181.db2.gz RSJKGHXZMDHFQI-KBPBESRZSA-N 2 0 340.468 -0.642 20 0 EBADRP CN1CCO[C@@H](C(=O)NC2(C)CC[NH+](CCn3cncn3)CC2)C1 ZINC001045397563 733686662 /nfs/dbraw/zinc/68/66/62/733686662.db2.gz GUEASWXMHRILAN-CQSZACIVSA-N 2 0 336.440 -0.421 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045413638 733690489 /nfs/dbraw/zinc/69/04/89/733690489.db2.gz UXJVUKNPZWXRMQ-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045720440 733759614 /nfs/dbraw/zinc/75/96/14/733759614.db2.gz RDZBKCUPSSCHMC-CQSZACIVSA-N 2 0 340.468 -0.500 20 0 EBADRP C[NH+](C)CCC(=O)NCC1(O)CN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001045720698 733759912 /nfs/dbraw/zinc/75/99/12/733759912.db2.gz WAFDBFCWXKDSLD-UHFFFAOYSA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@]2(C)CC[NH+](CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001046329811 733910249 /nfs/dbraw/zinc/91/02/49/733910249.db2.gz RZPCQJRTDZJNQI-CPUCHLNUSA-N 2 0 337.468 -0.068 20 0 EBADRP CC[C@H](C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1)[NH+](CC)CC ZINC001046376832 733921206 /nfs/dbraw/zinc/92/12/06/733921206.db2.gz ZBMGIJHDEQWBPG-CQSZACIVSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001046525431 733953744 /nfs/dbraw/zinc/95/37/44/733953744.db2.gz IWVOHGMZJNWBEY-UHFFFAOYSA-N 2 0 338.452 -0.887 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046671735 733995212 /nfs/dbraw/zinc/99/52/12/733995212.db2.gz LGFOAAOHHDSDGL-UONOGXRCSA-N 2 0 338.452 -0.888 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC(O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001046677367 733999852 /nfs/dbraw/zinc/99/98/52/733999852.db2.gz TXAUALUGUFTBLX-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)C1 ZINC001046683598 734001487 /nfs/dbraw/zinc/00/14/87/734001487.db2.gz COJVOGWMHBLSSO-UONOGXRCSA-N 2 0 340.468 -0.785 20 0 EBADRP C[C@@]1(NC(=O)C23CC[NH+](CC2)C3)CC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC001046777109 734025224 /nfs/dbraw/zinc/02/52/24/734025224.db2.gz RDJKYLZGHCSBKC-DOTOQJQBSA-N 2 0 347.463 -0.080 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@]2(C)CC[NH+](CCN3C(=O)CNC3=O)C2)C1 ZINC001046839091 734038408 /nfs/dbraw/zinc/03/84/08/734038408.db2.gz ORYANDXKFCVZJT-LRDDRELGSA-N 2 0 337.424 -0.930 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CC(N)=O)C3)n1 ZINC001047073614 734089781 /nfs/dbraw/zinc/08/97/81/734089781.db2.gz UAPDCYZKKOVPBK-IHRRRGAJSA-N 2 0 348.451 -0.487 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](CCc3cnn(C)c3)C[C@@H]2O)CC[N@@H+]1C ZINC001047384871 734167820 /nfs/dbraw/zinc/16/78/20/734167820.db2.gz KVCDYYLHZPCTIZ-SIXLDLHFSA-N 2 0 349.479 -0.194 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001061860275 738790028 /nfs/dbraw/zinc/79/00/28/738790028.db2.gz VPVQPJMOUCQHGW-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001061860619 738790105 /nfs/dbraw/zinc/79/01/05/738790105.db2.gz YVEWROIKRPMHHF-KGLIPLIRSA-N 2 0 326.441 -0.624 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001061862662 738791516 /nfs/dbraw/zinc/79/15/16/738791516.db2.gz WQFWAUXNMWSCAJ-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)N2CCOC[C@H]2CNC(=O)CC[NH+](C)C)C1 ZINC001061862658 738791315 /nfs/dbraw/zinc/79/13/15/738791315.db2.gz WMQQTAHMCBFXIV-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP CCn1cc(CC[N@@H+]2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001047628043 734290247 /nfs/dbraw/zinc/29/02/47/734290247.db2.gz BMJZVAADIXHREX-IKGGRYGDSA-N 2 0 349.479 -0.099 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC001061898257 738803046 /nfs/dbraw/zinc/80/30/46/738803046.db2.gz HAFVTNLSAXBSNH-OAHLLOKOSA-N 2 0 340.468 -0.232 20 0 EBADRP C[C@@H]([NH2+]Cc1nc(=O)n(C)[nH]1)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001048061287 734341446 /nfs/dbraw/zinc/34/14/46/734341446.db2.gz AMHQJSQIEKQZKX-OLZOCXBDSA-N 2 0 336.440 -0.469 20 0 EBADRP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C[NH2+]Cc1nnnn1C ZINC001048278963 734379899 /nfs/dbraw/zinc/37/98/99/734379899.db2.gz FVYPBEWXJMFCTF-OLZOCXBDSA-N 2 0 335.456 -0.122 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@H](O)Cn3cccn3)C[C@@H]2C1 ZINC001048723705 734483921 /nfs/dbraw/zinc/48/39/21/734483921.db2.gz MWWYKJYHDJFVQE-YVSFHVDLSA-N 2 0 347.463 -0.272 20 0 EBADRP CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]2C1 ZINC001048825355 734527146 /nfs/dbraw/zinc/52/71/46/734527146.db2.gz RMCUTUJHBUDBTL-OKILXGFUSA-N 2 0 348.451 -0.806 20 0 EBADRP C[NH+](C)C1(C(=O)N2C[C@@H]3C[N@H+]([C@@H]4CCC(=O)NC4=O)C[C@@H]3C2)CCC1 ZINC001048860522 734542623 /nfs/dbraw/zinc/54/26/23/734542623.db2.gz YDDJQGQXYFRQSZ-HZSPNIEDSA-N 2 0 348.447 -0.334 20 0 EBADRP CC[NH+](CC)CC(=O)N(C)[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1O ZINC001048880793 734555665 /nfs/dbraw/zinc/55/56/65/734555665.db2.gz PZJZZYHLUUUNFI-KKUMJFAQSA-N 2 0 340.468 -0.690 20 0 EBADRP CC[C@H](C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1O)[NH+](C)C ZINC001049027041 734619595 /nfs/dbraw/zinc/61/95/95/734619595.db2.gz BWHPFNBUEJJHOL-QPSCCSFWSA-N 2 0 340.468 -0.549 20 0 EBADRP C[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]2C1 ZINC001049108071 734646872 /nfs/dbraw/zinc/64/68/72/734646872.db2.gz DRPKCINQVPAWDQ-CWRNSKLLSA-N 2 0 335.452 -0.171 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[NH+](CC(=O)NC4CC4)C[C@@H]3C2)C1 ZINC001049171126 734674735 /nfs/dbraw/zinc/67/47/35/734674735.db2.gz LQUJJFBCBDQKAN-KFWWJZLASA-N 2 0 334.464 -0.003 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](C[C@H](O)Cn4cccn4)C[C@@H]3C2)C1 ZINC001049215116 734687448 /nfs/dbraw/zinc/68/74/48/734687448.db2.gz JTEXFSVUNZFFBU-NXOAAHMSSA-N 2 0 347.463 -0.414 20 0 EBADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@H+](C[C@H](O)Cn3cccn3)C[C@@H]2C1 ZINC001049215013 734687637 /nfs/dbraw/zinc/68/76/37/734687637.db2.gz GBSJBQPGDDVFOB-BBWFWOEESA-N 2 0 347.463 -0.270 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CCN4C(=O)CCC4=O)C[C@@H]3C2)C1 ZINC001049215496 734687768 /nfs/dbraw/zinc/68/77/68/734687768.db2.gz XFXZEYRQBQMXRE-SOUVJXGZSA-N 2 0 348.447 -0.523 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001049348878 734712914 /nfs/dbraw/zinc/71/29/14/734712914.db2.gz CUGRVVLQIADBKV-GJZGRUSLSA-N 2 0 342.484 -0.300 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001049435634 734729339 /nfs/dbraw/zinc/72/93/39/734729339.db2.gz PUKNMBPVDDCYPP-KBPBESRZSA-N 2 0 328.457 -0.690 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CCC[C@H]3C[N@H+](CCO)C[C@H]32)cn1 ZINC001050161516 734857073 /nfs/dbraw/zinc/85/70/73/734857073.db2.gz ANTSTEWKZKJUHS-GOEBONIOSA-N 2 0 335.452 -0.027 20 0 EBADRP O=C(N1CC[C@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001050234393 734876191 /nfs/dbraw/zinc/87/61/91/734876191.db2.gz GSQOXLDQERZPCU-UONOGXRCSA-N 2 0 348.447 -0.284 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001050234500 734876459 /nfs/dbraw/zinc/87/64/59/734876459.db2.gz HGUGZBMPXJCAPR-ZIAGYGMSSA-N 2 0 336.436 -0.284 20 0 EBADRP Cn1ccc(C[NH2+]C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CCO2)cc1=O ZINC001051494990 735197733 /nfs/dbraw/zinc/19/77/33/735197733.db2.gz YIKCNQBYBUPXNH-JKSUJKDBSA-N 2 0 348.447 -0.204 20 0 EBADRP CCn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001051494418 735197989 /nfs/dbraw/zinc/19/79/89/735197989.db2.gz VCSNKFOPXPXJRA-GJZGRUSLSA-N 2 0 336.440 -0.291 20 0 EBADRP Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1 ZINC001051616534 735268196 /nfs/dbraw/zinc/26/81/96/735268196.db2.gz JMRSHTIFOCPFRI-HOTGVXAUSA-N 2 0 348.451 -0.526 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)CC2)n1 ZINC001052387316 735601770 /nfs/dbraw/zinc/60/17/70/735601770.db2.gz GYKKAALTBRJNIL-ZDUSSCGKSA-N 2 0 336.440 -0.486 20 0 EBADRP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001052572958 735645391 /nfs/dbraw/zinc/64/53/91/735645391.db2.gz RNAYQVYVXRBNIL-YXXKGXSTSA-N 2 0 336.436 -0.694 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001052936968 735725246 /nfs/dbraw/zinc/72/52/46/735725246.db2.gz GTKUXSFLRZIMJE-KBPBESRZSA-N 2 0 336.436 -0.142 20 0 EBADRP Cn1cc(CC[NH+]2CC3(C2)C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CO3)cn1 ZINC001054007461 736146785 /nfs/dbraw/zinc/14/67/85/736146785.db2.gz FJPZWDLMILVXBV-CVEARBPZSA-N 2 0 347.463 -0.126 20 0 EBADRP CC(=O)NCC[NH+]1CCC(NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001055481133 736352035 /nfs/dbraw/zinc/35/20/35/736352035.db2.gz KAJOKRFYGNQUBY-UHFFFAOYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCNC(=O)c2ccn[nH]2)CC1 ZINC001055527117 736369569 /nfs/dbraw/zinc/36/95/69/736369569.db2.gz OHYGFZHWKBPRJA-HNNXBMFYSA-N 2 0 348.451 -0.186 20 0 EBADRP CO[C@@H](C)C(=O)NCC[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001055535182 736373207 /nfs/dbraw/zinc/37/32/07/736373207.db2.gz QPZKPFPPYUUZMP-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCC(NC(=O)c3cnco3)CC2)C1 ZINC001055578413 736391117 /nfs/dbraw/zinc/39/11/17/736391117.db2.gz MVHXQWUHZFKMNE-ZDUSSCGKSA-N 2 0 349.435 -0.063 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)c2ccnnc2)CC1 ZINC001055633557 736417137 /nfs/dbraw/zinc/41/71/37/736417137.db2.gz SLOIJZNWTKZJMX-UHFFFAOYSA-N 2 0 348.451 -0.261 20 0 EBADRP C[NH+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CCOC2)CC1 ZINC001055633315 736417474 /nfs/dbraw/zinc/41/74/74/736417474.db2.gz JRBQOKIFAYUYDT-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP COCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001055644818 736419203 /nfs/dbraw/zinc/41/92/03/736419203.db2.gz FVSUYUQKYUURTB-UKRRQHHQSA-N 2 0 340.468 -0.473 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001056104853 736643217 /nfs/dbraw/zinc/64/32/17/736643217.db2.gz HZGRWZYCEXVYEA-QGZVFWFLSA-N 2 0 342.484 -0.250 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001057210406 737081878 /nfs/dbraw/zinc/08/18/78/737081878.db2.gz IDTHBYKSGTUWIK-LSDHHAIUSA-N 2 0 340.468 -0.498 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1CCC[NH+]1C ZINC001057213587 737088228 /nfs/dbraw/zinc/08/82/28/737088228.db2.gz KLEFJOOZILGBIR-CQSZACIVSA-N 2 0 328.457 -0.642 20 0 EBADRP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)C1CC[NH+](C)CC1 ZINC001057658870 737395769 /nfs/dbraw/zinc/39/57/69/737395769.db2.gz GEYSVUZOLGTQRE-UHFFFAOYSA-N 2 0 342.484 -0.393 20 0 EBADRP CC[C@@H](C(=O)NCCN(CCO)C(=O)C[NH+](CC)CC)[NH+](C)C ZINC001057659757 737397562 /nfs/dbraw/zinc/39/75/62/737397562.db2.gz YLZNMBKIUJZXPA-AWEZNQCLSA-N 2 0 330.473 -0.395 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(CCO)CCNC(=O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC001057740938 737428869 /nfs/dbraw/zinc/42/88/69/737428869.db2.gz HKWXCHAQHLHHIO-HUUCEWRRSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@H](C(=O)NCCN(CCO)C(=O)C[N@H+](C)C(C)C)[NH+](C)C ZINC001057863306 737484160 /nfs/dbraw/zinc/48/41/60/737484160.db2.gz MNIMSWGRAKTSBM-CQSZACIVSA-N 2 0 330.473 -0.396 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(CCO)CCNC(=O)C[NH+](C)C1CCC1 ZINC001057864209 737484841 /nfs/dbraw/zinc/48/48/41/737484841.db2.gz GJYGYBLEMZXJDG-UHFFFAOYSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001057864522 737485916 /nfs/dbraw/zinc/48/59/16/737485916.db2.gz VSUGAISQKXYLBN-HNNXBMFYSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H](C1CC1)[NH+](C)C)[NH+](C)C ZINC001057876393 737495771 /nfs/dbraw/zinc/49/57/71/737495771.db2.gz IODPAHAIDGONEW-CABCVRRESA-N 2 0 342.484 -0.396 20 0 EBADRP C[NH+](C)CCC(=O)NCCN(CCO)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001057966363 737564985 /nfs/dbraw/zinc/56/49/85/737564985.db2.gz FHFSDKKBUOAZAW-OAHLLOKOSA-N 2 0 342.484 -0.250 20 0 EBADRP C[NH+](C)CCC(=O)NCCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001058039303 737602185 /nfs/dbraw/zinc/60/21/85/737602185.db2.gz WEYNRQKUBRZPNG-AWEZNQCLSA-N 2 0 328.457 -0.641 20 0 EBADRP C[NH+](C)CC1(C(=O)N(CCO)CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001058600176 737915833 /nfs/dbraw/zinc/91/58/33/737915833.db2.gz NSYNULMYDLNWJN-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001058844140 738023829 /nfs/dbraw/zinc/02/38/29/738023829.db2.gz UQGDECWODRTEMC-HUUCEWRRSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[C@H](C(=O)NCCN(CCO)C(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)C ZINC001058845169 738024420 /nfs/dbraw/zinc/02/44/20/738024420.db2.gz GVAVTNBDGPVIKY-HUUCEWRRSA-N 2 0 342.484 -0.395 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N(CCO)CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001058845347 738025741 /nfs/dbraw/zinc/02/57/41/738025741.db2.gz LGYSDTFVDCUXOP-CABCVRRESA-N 2 0 340.468 -0.641 20 0 EBADRP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001058848294 738030482 /nfs/dbraw/zinc/03/04/82/738030482.db2.gz CPDZQCAKHLINEL-CABCVRRESA-N 2 0 342.484 -0.537 20 0 EBADRP CC[NH+](CC)CC(=O)NCCN(CCO)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001058848297 738030556 /nfs/dbraw/zinc/03/05/56/738030556.db2.gz CPDZQCAKHLINEL-HUUCEWRRSA-N 2 0 342.484 -0.537 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC001058849456 738032530 /nfs/dbraw/zinc/03/25/30/738032530.db2.gz UUVSUTJAHBGVLJ-GJZGRUSLSA-N 2 0 342.484 -0.537 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C2)CCO1 ZINC001065169316 739573667 /nfs/dbraw/zinc/57/36/67/739573667.db2.gz KHHWLKWSLXLPBO-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001065574706 739771136 /nfs/dbraw/zinc/77/11/36/739771136.db2.gz MBVZUOGKYGMXET-AWEZNQCLSA-N 2 0 328.457 -0.378 20 0 EBADRP C[NH+](C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001065576331 739772669 /nfs/dbraw/zinc/77/26/69/739772669.db2.gz PERGGCZDMFEROD-KBPBESRZSA-N 2 0 326.441 -0.767 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001065611264 739798335 /nfs/dbraw/zinc/79/83/35/739798335.db2.gz BGQOXPFJSNGFNK-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001065614824 739802499 /nfs/dbraw/zinc/80/24/99/739802499.db2.gz YQAFEMPPABJMBP-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H](CNC(=O)CC[NH+](C)C)C2)C1 ZINC001065622979 739810720 /nfs/dbraw/zinc/81/07/20/739810720.db2.gz YHWGLXPMIOJXSU-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1CCC2(CN(C(=O)CC[NH+](C)C)C2)O1 ZINC001068624747 740385249 /nfs/dbraw/zinc/38/52/49/740385249.db2.gz RPIBHZZHXNXMIM-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP CC(C)[C@@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1)[NH+](C)C ZINC001070503914 740851078 /nfs/dbraw/zinc/85/10/78/740851078.db2.gz SATNBWSFXAHXOU-IMJJTQAJSA-N 2 0 337.468 -0.117 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(N)=O)C1 ZINC001070534604 740857711 /nfs/dbraw/zinc/85/77/11/740857711.db2.gz CNSHYZTYZPVWTK-KCQAQPDRSA-N 2 0 348.451 -0.726 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(N)=O)C1 ZINC001070534605 740857797 /nfs/dbraw/zinc/85/77/97/740857797.db2.gz CNSHYZTYZPVWTK-VNHYZAJKSA-N 2 0 348.451 -0.726 20 0 EBADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001070563673 740864551 /nfs/dbraw/zinc/86/45/51/740864551.db2.gz GBJUVBNFVAUQCH-OFQRWUPVSA-N 2 0 335.452 -0.219 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)COCC[NH+](C)C)C1 ZINC001072286549 741359931 /nfs/dbraw/zinc/35/99/31/741359931.db2.gz LQNHZZOCNVSSIX-CABCVRRESA-N 2 0 342.484 -0.132 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NC(=O)COCC[NH+](C)C)C1 ZINC001072742981 741469890 /nfs/dbraw/zinc/46/98/90/741469890.db2.gz YAMOSFVPIRQQFP-CABCVRRESA-N 2 0 342.484 -0.131 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC2(C1)CC[N@@H+]([C@@H]1CCNC1=O)C2 ZINC001072743592 741470366 /nfs/dbraw/zinc/47/03/66/741470366.db2.gz VAQAEDXSEZMBFR-HUUCEWRRSA-N 2 0 332.448 -0.249 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[NH+](C[C@H](O)Cn2cccn2)C3)C1 ZINC001073429730 741612535 /nfs/dbraw/zinc/61/25/35/741612535.db2.gz RGTSQRIUPYSDCQ-CVEARBPZSA-N 2 0 347.463 -0.270 20 0 EBADRP C[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001073433534 741613255 /nfs/dbraw/zinc/61/32/55/741613255.db2.gz BEIPRLYPXSFFJD-HUUCEWRRSA-N 2 0 325.453 -0.130 20 0 EBADRP O=C(NC[C@@H]1C[N@H+](CCO)CCCO1)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001073700646 741713810 /nfs/dbraw/zinc/71/38/10/741713810.db2.gz SNQNGVVSRIEJDU-GYMHETDLSA-N 2 0 339.436 -0.951 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NC[C@@H]2C[N@H+](CCO)CCCO2)cn1 ZINC001073815478 741748927 /nfs/dbraw/zinc/74/89/27/741748927.db2.gz BOSDBYVMXPJSMJ-OAHLLOKOSA-N 2 0 339.440 -0.742 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)N2CCOCC2)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001074562818 741999185 /nfs/dbraw/zinc/99/91/85/741999185.db2.gz KGADWWOCYFEJEK-SOUVJXGZSA-N 2 0 338.452 -0.482 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC(O)(CNC(=O)CC[NH+](C)C)CC1 ZINC001074656683 742049605 /nfs/dbraw/zinc/04/96/05/742049605.db2.gz VXIZOSDLYOIZMF-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[C@H]1[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001074687728 742066465 /nfs/dbraw/zinc/06/64/65/742066465.db2.gz BWRBMZXQIJVUSJ-UBHSHLNASA-N 2 0 336.436 -0.145 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCC(O)(CNC(=O)CC[NH+](C)C)CC1 ZINC001074696501 742074013 /nfs/dbraw/zinc/07/40/13/742074013.db2.gz BJHJAEWSTWRUCL-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H]1C)C(N)=O ZINC001075003347 742156709 /nfs/dbraw/zinc/15/67/09/742156709.db2.gz WRQAHUYMXQPZRF-OBJOEFQTSA-N 2 0 326.441 -0.450 20 0 EBADRP C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001076344974 742443133 /nfs/dbraw/zinc/44/31/33/742443133.db2.gz INZCNFSGPYQNJZ-OFQRWUPVSA-N 2 0 335.452 -0.028 20 0 EBADRP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)NC(=O)COCC[NH+](C)C ZINC001076586726 742504682 /nfs/dbraw/zinc/50/46/82/742504682.db2.gz IASPMDJXDLPEFE-KBPBESRZSA-N 2 0 328.457 -0.473 20 0 EBADRP COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014193 742695635 /nfs/dbraw/zinc/69/56/35/742695635.db2.gz ICMAODJJXQWIAK-NWANDNLSSA-N 2 0 339.440 -0.746 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccn(C)c(=O)c3)C[C@H]2O)CC[N@@H+]1C ZINC001077022743 742699281 /nfs/dbraw/zinc/69/92/81/742699281.db2.gz RVSGWCIHRWPRQB-DTZQCDIJSA-N 2 0 348.447 -0.613 20 0 EBADRP O=C(N[C@@H]1C[N@@H+](CCCF)C[C@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001077417931 742964573 /nfs/dbraw/zinc/96/45/73/742964573.db2.gz FBEXAFFJMXAWQC-WBDXWENLSA-N 2 0 327.400 -0.630 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CN(C/C=C\Cl)C[C@H]2O)cn1 ZINC001077818319 743268875 /nfs/dbraw/zinc/26/88/75/743268875.db2.gz NKTDLJGVHMEQKG-JHZNUDOXSA-N 2 0 341.843 -0.028 20 0 EBADRP C[N@H+](CC(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1)C1CCC1 ZINC001078412365 743637346 /nfs/dbraw/zinc/63/73/46/743637346.db2.gz YRSYVWYEPTUYCP-LSDHHAIUSA-N 2 0 338.452 -0.434 20 0 EBADRP CC[C@H](C(=O)N1CCCO[C@@H](C[NH2+]Cc2cnnn2C)C1)[NH+](C)C ZINC001078420517 743641375 /nfs/dbraw/zinc/64/13/75/743641375.db2.gz QUIVHAALQNGLEK-LSDHHAIUSA-N 2 0 338.456 -0.138 20 0 EBADRP O=C(N1CCCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001078499454 743680920 /nfs/dbraw/zinc/68/09/20/743680920.db2.gz YZWUMMJXLGHZJZ-KBPBESRZSA-N 2 0 336.436 -0.822 20 0 EBADRP CN1CC[C@@H]([NH2+]C[C@H]2CN(C(=O)C[NH+]3CCCC3)CCCO2)C1=O ZINC001078508745 743684995 /nfs/dbraw/zinc/68/49/95/743684995.db2.gz XESGQKXVEPPUKK-LSDHHAIUSA-N 2 0 338.452 -0.480 20 0 EBADRP C[N@H+](CCN1C(=O)CNC1=O)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000980391966 805879720 /nfs/dbraw/zinc/87/97/20/805879720.db2.gz UKQPVDVUVHQRAG-CHWSQXEVSA-N 2 0 337.424 -0.977 20 0 EBADRP C[C@H]1C[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)CN1C(=O)C[NH+]1CCCC1 ZINC000980802542 806022795 /nfs/dbraw/zinc/02/27/95/806022795.db2.gz ZNCDJAHFOOQKNL-STQMWFEESA-N 2 0 336.440 -0.469 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CC(N)=O)C2)n1 ZINC000981095206 806084719 /nfs/dbraw/zinc/08/47/19/806084719.db2.gz UPCQGZQWTXWOHQ-CHWSQXEVSA-N 2 0 336.440 -0.439 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CCC[C@H]([NH2+]CC(N)=O)C2)cn1 ZINC000981383210 806158909 /nfs/dbraw/zinc/15/89/09/806158909.db2.gz ZTZBABVZJRTPJP-UONOGXRCSA-N 2 0 336.440 -0.439 20 0 EBADRP CN1CC[N@H+](C)CC(C(=O)NCC(=O)NCC[NH+]2CCCCC2)C1 ZINC000909313662 803803887 /nfs/dbraw/zinc/80/38/87/803803887.db2.gz XEYZYXMYTZEYIX-UHFFFAOYSA-N 2 0 339.484 -0.802 20 0 EBADRP O=C([C@@H](F)C(=O)N1CC[C@H]([NH+]2CCC2)C1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912904364 803804481 /nfs/dbraw/zinc/80/44/81/803804481.db2.gz XKMZERQQRRZHJE-QDMKHBRRSA-N 2 0 338.427 -0.062 20 0 EBADRP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000976869931 803924365 /nfs/dbraw/zinc/92/43/65/803924365.db2.gz SPOUWYYRYVKYDE-LVNYTYFRSA-N 2 0 334.464 -0.147 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC(=O)N3CCC3)C[C@H]21 ZINC000978355878 804805086 /nfs/dbraw/zinc/80/50/86/804805086.db2.gz FGDWZRAYGQZRCE-JONQDZQNSA-N 2 0 334.464 -0.003 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC000979087474 805129037 /nfs/dbraw/zinc/12/90/37/805129037.db2.gz PWRKMYFVUBVMRW-TUVASFSCSA-N 2 0 348.447 -0.619 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nc1=O ZINC000983691869 807082928 /nfs/dbraw/zinc/08/29/28/807082928.db2.gz MTFSNVHREUHIPV-MRVWCRGKSA-N 2 0 348.451 -0.565 20 0 EBADRP O=C(N[C@@H]1C[C@@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000983690217 807083054 /nfs/dbraw/zinc/08/30/54/807083054.db2.gz ARJRABRGYHDCLG-NGFQHRJXSA-N 2 0 348.447 -0.382 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000983716299 807086848 /nfs/dbraw/zinc/08/68/48/807086848.db2.gz NUUMYPSLJASUFN-SYQHCUMBSA-N 2 0 349.439 -0.942 20 0 EBADRP O=C(N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000984357931 807266575 /nfs/dbraw/zinc/26/65/75/807266575.db2.gz OHRGXDNCJKSFJA-LNUIYOBLSA-N 2 0 348.447 -0.778 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnnn3C)C2)CC[N@@H+]1C ZINC000984669844 807363467 /nfs/dbraw/zinc/36/34/67/807363467.db2.gz PEHKETJGIZOKFC-XUXIUFHCSA-N 2 0 335.456 -0.075 20 0 EBADRP C[N@H+](CC(N)=O)C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000985719733 807569559 /nfs/dbraw/zinc/56/95/59/807569559.db2.gz ILTBJOZQCAALOM-UHFFFAOYSA-N 2 0 326.441 -0.495 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC([N@H+](C)[C@@H](C)C(N)=O)CC1 ZINC000985786408 807582921 /nfs/dbraw/zinc/58/29/21/807582921.db2.gz BUMHGMFNWMBZII-KBPBESRZSA-N 2 0 340.468 -0.249 20 0 EBADRP C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC000986547524 807731744 /nfs/dbraw/zinc/73/17/44/807731744.db2.gz FPYJENUFFMKZNG-WCQYABFASA-N 2 0 328.376 -0.055 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001214779861 810280926 /nfs/dbraw/zinc/28/09/26/810280926.db2.gz BFTALAIRLXXXNR-JHJVBQTASA-N 2 0 339.440 -0.508 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001214997461 810298271 /nfs/dbraw/zinc/29/82/71/810298271.db2.gz IFIZEMMCFFQBKR-JHJVBQTASA-N 2 0 338.452 -0.042 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC(=O)Nc1nncs1 ZINC001215461037 810330760 /nfs/dbraw/zinc/33/07/60/810330760.db2.gz OPYUKVKFEHOGGQ-GHMZBOCLSA-N 2 0 340.453 -0.135 20 0 EBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001215540655 810335192 /nfs/dbraw/zinc/33/51/92/810335192.db2.gz PEVAWKXHIXVSRM-MGPQQGTHSA-N 2 0 346.497 -0.544 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001215989474 810353848 /nfs/dbraw/zinc/35/38/48/810353848.db2.gz DBAYZBTVPRTSOF-IJLUTSLNSA-N 2 0 327.429 -0.652 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+][C@H]1CCCNC1=O ZINC001216400843 810371138 /nfs/dbraw/zinc/37/11/38/810371138.db2.gz ASTSQUDMIOZPNX-HZSPNIEDSA-N 2 0 326.441 -0.720 20 0 EBADRP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC001216383780 810371851 /nfs/dbraw/zinc/37/18/51/810371851.db2.gz PTZFVJHRZSRKRH-HZSPNIEDSA-N 2 0 346.497 -0.686 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001216506626 810375660 /nfs/dbraw/zinc/37/56/60/810375660.db2.gz KYVJJYXDCDMYHV-HZSPNIEDSA-N 2 0 338.452 -0.040 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C)C(=O)NC(N)=O ZINC001216757680 810385466 /nfs/dbraw/zinc/38/54/66/810385466.db2.gz INQSPRGXDNJLMT-IJLUTSLNSA-N 2 0 325.413 -0.898 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001216758042 810385600 /nfs/dbraw/zinc/38/56/00/810385600.db2.gz WCUGMYLRKWVUPA-RBSFLKMASA-N 2 0 340.468 -0.521 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001216752496 810385789 /nfs/dbraw/zinc/38/57/89/810385789.db2.gz REKOOKURGFMNSI-MGPQQGTHSA-N 2 0 331.482 -0.191 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001216754292 810385831 /nfs/dbraw/zinc/38/58/31/810385831.db2.gz OIXUHTLJOXXVLE-HZSPNIEDSA-N 2 0 346.497 -0.734 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC001216754293 810386313 /nfs/dbraw/zinc/38/63/13/810386313.db2.gz OIXUHTLJOXXVLE-MGPQQGTHSA-N 2 0 346.497 -0.734 20 0 EBADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1C[NH2+]C[C@@H]1F ZINC001218015634 810473456 /nfs/dbraw/zinc/47/34/56/810473456.db2.gz WHZLRLGRHSLDFM-YUMQZZPRSA-N 2 0 328.344 -0.551 20 0 EBADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1CC[NH2+]C[C@H]1F ZINC001218064987 810474708 /nfs/dbraw/zinc/47/47/08/810474708.db2.gz CEIRBTSFVVKESQ-RKDXNWHRSA-N 2 0 342.371 -0.161 20 0 EBADRP COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1C[C@H]2C[NH2+]C[C@@H]21 ZINC001218324225 810486916 /nfs/dbraw/zinc/48/69/16/810486916.db2.gz HLVISAZGVTUSOM-LPEHRKFASA-N 2 0 336.392 -0.253 20 0 EBADRP COC(=O)c1cc(C)cnc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218580390 810506638 /nfs/dbraw/zinc/50/66/38/810506638.db2.gz PMISTAQOYNZMEX-CYBMUJFWSA-N 2 0 335.408 -0.134 20 0 EBADRP Cc1nc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])cc(N2CCOCC2)n1 ZINC001218619261 810511508 /nfs/dbraw/zinc/51/15/08/810511508.db2.gz DAQVQJDLOATFNT-NSHDSACASA-N 2 0 340.453 -0.421 20 0 EBADRP Nc1cn(C(=O)C[C@H]2COCC[NH2+]2)ccc1=[NH+]CCN1CCOCC1 ZINC001218619431 810511536 /nfs/dbraw/zinc/51/15/36/810511536.db2.gz HMAJPKRQMANUHX-AWEZNQCLSA-N 2 0 349.435 -0.678 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1cccnc1OC1COC1 ZINC001218620318 810512289 /nfs/dbraw/zinc/51/22/89/810512289.db2.gz KKDAVKBHZJKBCB-CYBMUJFWSA-N 2 0 335.408 -0.452 20 0 EBADRP COC(=O)c1onc(C)c1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218635112 810513377 /nfs/dbraw/zinc/51/33/77/810513377.db2.gz DAMSBWKGZOJRGS-SNVBAGLBSA-N 2 0 325.369 -0.541 20 0 EBADRP CCOC(=O)c1cc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)n(C)n1 ZINC001218636750 810514290 /nfs/dbraw/zinc/51/42/90/810514290.db2.gz HEEVFOGZEXLCRM-LLVKDONJSA-N 2 0 338.412 -0.714 20 0 EBADRP O=C(Nc1cc([C@@H]2CCC[NH2+]2)no1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001218714626 810522226 /nfs/dbraw/zinc/52/22/26/810522226.db2.gz ZTYCEKGKHCTMTQ-ZJUUUORDSA-N 2 0 340.405 -0.186 20 0 EBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1cncc(S(N)(=O)=O)c1 ZINC001218751333 810526224 /nfs/dbraw/zinc/52/62/24/810526224.db2.gz XMDLPQDHRYKDFV-LBPRGKRZSA-N 2 0 329.426 -0.273 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccnn1Br ZINC001218771867 810530029 /nfs/dbraw/zinc/53/00/29/810530029.db2.gz HBLPISHSTCOZTI-SECBINFHSA-N 2 0 331.218 -0.270 20 0 EBADRP C[NH2+]CCC(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218777013 810531313 /nfs/dbraw/zinc/53/13/13/810531313.db2.gz NWKPPKFLUWSJPJ-ZJUUUORDSA-N 2 0 342.831 -0.761 20 0 EBADRP O=C(Cc1nc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)n[nH]1)c1ccccc1 ZINC001218792849 810532164 /nfs/dbraw/zinc/53/21/64/810532164.db2.gz PYKSFENJYXAEQV-GFCCVEGCSA-N 2 0 340.387 -0.022 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)Nc1nc2n[nH]cc2c(Cl)n1 ZINC001218799064 810532197 /nfs/dbraw/zinc/53/21/97/810532197.db2.gz CBRXXIAFNMTJLZ-SECBINFHSA-N 2 0 338.803 -0.305 20 0 EBADRP O=C(Nc1ccc(N2CC[NH+](CCO)CC2)cc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001218874254 810538858 /nfs/dbraw/zinc/53/88/58/810538858.db2.gz RMAQLNKUHAAZEX-HOTGVXAUSA-N 2 0 334.420 -0.538 20 0 EBADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@@H]1C[NH2+]CC[C@@H]1O ZINC001218880204 810540745 /nfs/dbraw/zinc/54/07/45/810540745.db2.gz UNRYWJXLDGRUMJ-HIFRSBDPSA-N 2 0 332.404 -0.359 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1cccc2c1CC(=O)NC2 ZINC001219369627 810674966 /nfs/dbraw/zinc/67/49/66/810674966.db2.gz JLBUJTQLZHQXED-AWEZNQCLSA-N 2 0 331.420 -0.452 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc2[nH]c(=O)cnc2c1 ZINC001219440056 810699217 /nfs/dbraw/zinc/69/92/17/810699217.db2.gz RENPUYLIZQRUTA-LBPRGKRZSA-N 2 0 330.392 -0.388 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@@H]1C[NH2+]C[C@@H]1O)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219504618 810726273 /nfs/dbraw/zinc/72/62/73/810726273.db2.gz VOXPXVQBSUTVOK-IJPZITHUSA-N 2 0 346.387 -0.603 20 0 EBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001219618110 810772726 /nfs/dbraw/zinc/77/27/26/810772726.db2.gz VDPWLXFWVYKSCU-UKPHBRMFSA-N 3 0 342.459 -0.371 20 0 EBADRP C[NH2+][C@@H](COCc1ccccc1)C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219618118 810772869 /nfs/dbraw/zinc/77/28/69/810772869.db2.gz VJKOUDSYEYAQNN-YQQAZPJKSA-N 2 0 339.411 -0.030 20 0 EBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001219616766 810773145 /nfs/dbraw/zinc/77/31/45/810773145.db2.gz CLCNRRSOFDLKEQ-WMHQRMGPSA-N 2 0 329.416 -0.286 20 0 EBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001219622347 810775734 /nfs/dbraw/zinc/77/57/34/810775734.db2.gz SFXLGLFKGQKIKY-RZLSGREXSA-N 2 0 328.432 -0.619 20 0 EBADRP C[C@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001219633924 810780389 /nfs/dbraw/zinc/78/03/89/810780389.db2.gz JGOFNVQLQJCXFS-QPSCCSFWSA-N 2 0 340.468 -0.025 20 0 EBADRP [NH3+][C@@H]1CCN([C@@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2O)c2cc3ccccc3o2)C1 ZINC001219714447 810804588 /nfs/dbraw/zinc/80/45/88/810804588.db2.gz LBULQGBHJRFRRP-VMUDFCTBSA-N 2 0 344.415 -0.044 20 0 EBADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)c1csc(N2CC[NH2+]CC2)n1 ZINC001219739131 810816934 /nfs/dbraw/zinc/81/69/34/810816934.db2.gz HUPOFYMPRKECRI-LLVKDONJSA-N 2 0 337.449 -0.339 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CC(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219739258 810817749 /nfs/dbraw/zinc/81/77/49/810817749.db2.gz KIVIICNSGGBIIQ-PMPSAXMXSA-N 2 0 333.432 -0.198 20 0 EBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741880 810819147 /nfs/dbraw/zinc/81/91/47/810819147.db2.gz WXSFBKXYOJYOCQ-NWDGAFQWSA-N 2 0 327.429 -0.820 20 0 EBADRP CCOC(=O)C1(C(=O)NC[C@H]2CCC3(CC[NH2+]CC3)O2)C[NH2+]C1 ZINC001219743789 810820305 /nfs/dbraw/zinc/82/03/05/810820305.db2.gz MBLXUOWCZHNADD-GFCCVEGCSA-N 2 0 325.409 -0.444 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743999 810820507 /nfs/dbraw/zinc/82/05/07/810820507.db2.gz QKXPKJDVUMYWQD-KBPBESRZSA-N 2 0 340.468 -0.107 20 0 EBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@@H]1Cc2cc(O)ccc2C[NH2+]1 ZINC001219748984 810823768 /nfs/dbraw/zinc/82/37/68/810823768.db2.gz GNFDHDODTUSAOD-AWEZNQCLSA-N 2 0 342.403 -0.192 20 0 EBADRP O=C(NC[C@]1(F)CCC[NH2+]C1)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219769408 810834060 /nfs/dbraw/zinc/83/40/60/810834060.db2.gz VYMCZUOZUZDISE-WFASDCNBSA-N 2 0 336.415 -0.263 20 0 EBADRP O=C(NCC[C@@H]1C[NH2+]Cc2cccn2C1)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001219789715 810841618 /nfs/dbraw/zinc/84/16/18/810841618.db2.gz XMTGVBRPSSCKDF-IUODEOHRSA-N 2 0 331.420 -0.808 20 0 EBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001219791722 810842973 /nfs/dbraw/zinc/84/29/73/810842973.db2.gz UFEHNGLEBKGEPD-HIFRSBDPSA-N 2 0 333.436 -0.418 20 0 EBADRP O=C(NCC[C@H]1CCOC12C[NH2+]C2)C1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001219801153 810849809 /nfs/dbraw/zinc/84/98/09/810849809.db2.gz UKVGJMAEEBWSLR-JKSUJKDBSA-N 2 0 336.480 -0.055 20 0 EBADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)cc1 ZINC001219812711 810857133 /nfs/dbraw/zinc/85/71/33/810857133.db2.gz HFPAHCYGCQLTER-ZQIUZPCESA-N 2 0 332.404 -0.993 20 0 EBADRP O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)C1=NO[C@]2(CC[NH2+]C2)C1 ZINC001219833628 810868314 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/nfs/dbraw/zinc/88/07/34/810880734.db2.gz CMOJRPOPOAHLKV-LVQVYYBASA-N 2 0 347.415 -0.060 20 0 EBADRP COCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219873712 810889612 /nfs/dbraw/zinc/88/96/12/810889612.db2.gz KDHLKRAKBHDAHM-CABCVRRESA-N 2 0 343.468 -0.457 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CCc2[nH]c(=O)ccc2C1 ZINC001219890491 810896224 /nfs/dbraw/zinc/89/62/24/810896224.db2.gz INMBYZQIDHAMIJ-KBPBESRZSA-N 2 0 333.436 -0.489 20 0 EBADRP O=C(N[C@]12C[C@H]1CN(C(=O)c1ccco1)C2)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001219901107 810901049 /nfs/dbraw/zinc/90/10/49/810901049.db2.gz CWKMNPAIJXCKQB-PRXAMGSTSA-N 2 0 330.388 -0.581 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@@H]1O ZINC001219902857 810902298 /nfs/dbraw/zinc/90/22/98/810902298.db2.gz MAEUNXVIBWQKER-KGLIPLIRSA-N 2 0 340.468 -0.596 20 0 EBADRP COC(=O)C1(NC(=O)[C@H]([NH3+])CCC(=O)OC(C)(C)C)CC[NH2+]CC1 ZINC001220001222 810941468 /nfs/dbraw/zinc/94/14/68/810941468.db2.gz MAGCYOLQWJLAIP-LLVKDONJSA-N 2 0 343.424 -0.153 20 0 EBADRP O=C(NCCCCCCN1C(=O)C=CC1=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220127529 810993281 /nfs/dbraw/zinc/99/32/81/810993281.db2.gz YGAICQVYUBUIQY-RDTXWAMCSA-N 2 0 348.447 -0.213 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)[C@@H](C)OC1 ZINC001220139486 810997862 /nfs/dbraw/zinc/99/78/62/810997862.db2.gz SNKRITRDXKAFGP-ZWNOBZJWSA-N 2 0 340.424 -0.911 20 0 EBADRP C[C@@]1(O)C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC[NH3+])C1 ZINC001220149853 811001573 /nfs/dbraw/zinc/00/15/73/811001573.db2.gz GALZUNIPTPVZOY-WFGGJUAMSA-N 2 0 326.441 -0.537 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N(CC[NH3+])c1cccnc1 ZINC001220263713 811039463 /nfs/dbraw/zinc/03/94/63/811039463.db2.gz VCKIIUZPJHEOOM-ZDUSSCGKSA-N 2 0 337.424 -0.368 20 0 EBADRP C[N@@H+]1CCCN(CCNC(=O)CN2CCCC[C@H]([NH3+])C2=O)CC1 ZINC001220306314 811050943 /nfs/dbraw/zinc/05/09/43/811050943.db2.gz JHCVWHJAEAYCPP-AWEZNQCLSA-N 2 0 325.457 -0.920 20 0 EBADRP O=C(NC[C@H]1COCC[NH2+]1)[C@H]1CN(Cc2ccccc2)CC12C[NH2+]C2 ZINC001220431912 811105655 /nfs/dbraw/zinc/10/56/55/811105655.db2.gz SRZHHRIPNHVPCT-DLBZAZTESA-N 2 0 344.459 -0.187 20 0 EBADRP NC(=[NH2+])N(C(=O)[C@H](N)CCC[NH3+])c1ccc(N2CCOCC2)cc1 ZINC001220460717 811117153 /nfs/dbraw/zinc/11/71/53/811117153.db2.gz WJNAXEVPQODBBN-CQSZACIVSA-N 2 0 334.424 -0.184 20 0 EBADRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]([NH3+])Cc2cncn2C)O1 ZINC001220481713 811123855 /nfs/dbraw/zinc/12/38/55/811123855.db2.gz OOWGAUFKBREWIO-KYEXWDHISA-N 2 0 325.413 -0.869 20 0 EBADRP [NH3+][C@H](CNC(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2)c1ccccc1 ZINC001220501227 811127609 /nfs/dbraw/zinc/12/76/09/811127609.db2.gz OKSCZJVBRKMRJT-UONOGXRCSA-N 2 0 341.419 -0.260 20 0 EBADRP CN(CC[NH3+])CCNC(=O)c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1 ZINC001220517640 811134251 /nfs/dbraw/zinc/13/42/51/811134251.db2.gz UMYDAWTUHNEOKE-AWEZNQCLSA-N 2 0 347.423 -0.990 20 0 EBADRP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001220583683 811165457 /nfs/dbraw/zinc/16/54/57/811165457.db2.gz ULFQJHDCRWQPIB-UONOGXRCSA-N 2 0 326.441 -0.589 20 0 EBADRP C[C@@H](O)CCC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220642879 811185946 /nfs/dbraw/zinc/18/59/46/811185946.db2.gz MYUQSABTKVEHEN-BMFZPTHFSA-N 2 0 343.468 -0.581 20 0 EBADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001220651192 811189178 /nfs/dbraw/zinc/18/91/78/811189178.db2.gz GFYNOFVAJMTTSK-MAUKXSAKSA-N 2 0 329.448 -0.336 20 0 EBADRP O=C(NCc1ccccc1N1CC[NH2+]CC1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220651969 811190100 /nfs/dbraw/zinc/19/01/00/811190100.db2.gz TZQKQMXBOALLSO-OAHLLOKOSA-N 2 0 345.447 -0.957 20 0 EBADRP O=C(N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001220679438 811199166 /nfs/dbraw/zinc/19/91/66/811199166.db2.gz ZVAOOHNPUQILGF-MROQNXINSA-N 2 0 327.450 -0.448 20 0 EBADRP CCCCOCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764236 811232915 /nfs/dbraw/zinc/23/29/15/811232915.db2.gz DITVLRREYPUZGL-CABCVRRESA-N 2 0 331.457 -0.457 20 0 EBADRP NC(=O)NCCC[C@H]([NH3+])C(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220786027 811240061 /nfs/dbraw/zinc/24/00/61/811240061.db2.gz KMWUCVRTCDDNEZ-RDBSUJKOSA-N 2 0 334.424 -0.376 20 0 EBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220805716 811247782 /nfs/dbraw/zinc/24/77/82/811247782.db2.gz UVWHNXBDQPMWCV-UTLUCORTSA-N 2 0 342.387 -0.203 20 0 EBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220805713 811247803 /nfs/dbraw/zinc/24/78/03/811247803.db2.gz UVWHNXBDQPMWCV-GUBZILKMSA-N 2 0 342.387 -0.203 20 0 EBADRP CCOC(=O)C1(NC(=O)[C@@H]2CO[C@]3(C2)CCC[NH2+]CC3)C[NH2+]C1 ZINC001220850972 811266241 /nfs/dbraw/zinc/26/62/41/811266241.db2.gz CBGGZVAWKUEYHQ-SWLSCSKDSA-N 2 0 325.409 -0.444 20 0 EBADRP CCOC(=O)C1(NC(=O)[C@H](COCc2ccccc2)[NH2+]C)C[NH2+]C1 ZINC001220851262 811266725 /nfs/dbraw/zinc/26/67/25/811266725.db2.gz ODUWXZDTWPCZJV-AWEZNQCLSA-N 2 0 335.404 -0.188 20 0 EBADRP CCOC(=O)C1(NC(=O)c2cccnc2N2CC[NH2+]CC2)C[NH2+]C1 ZINC001220853065 811266952 /nfs/dbraw/zinc/26/69/52/811266952.db2.gz KFEYVJLJPXUGHA-UHFFFAOYSA-N 2 0 333.392 -0.874 20 0 EBADRP CCOC(=O)C1(NC(=O)C[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)C[NH2+]C1 ZINC001220851397 811267146 /nfs/dbraw/zinc/26/71/46/811267146.db2.gz UYGRTRPJTNDPMS-WFASDCNBSA-N 2 0 325.409 -0.444 20 0 EBADRP [NH3+]CCN(CCNC(=O)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2)N(O)N=O ZINC001220901438 811288520 /nfs/dbraw/zinc/28/85/20/811288520.db2.gz ZKOGURAFCQGPBP-TZMCWYRMSA-N 2 0 344.416 -0.800 20 0 EBADRP CCc1ccc(CN(CC[NH3+])C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)cc1 ZINC001220904808 811290325 /nfs/dbraw/zinc/29/03/25/811290325.db2.gz DBLPTRJXXSDLJS-WFASDCNBSA-N 2 0 336.436 -0.639 20 0 EBADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001221006886 811340467 /nfs/dbraw/zinc/34/04/67/811340467.db2.gz OMLOERQJYLCTDS-DZKIICNBSA-N 3 0 339.484 -0.582 20 0 EBADRP C[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CC[S@](C)=O)CC1 ZINC001221006812 811341247 /nfs/dbraw/zinc/34/12/47/811341247.db2.gz MSXFGHNLWAMGMW-QSQLFWIXSA-N 2 0 346.497 -0.813 20 0 EBADRP O=C(N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001221056334 811355820 /nfs/dbraw/zinc/35/58/20/811355820.db2.gz OMFVQUIFVPCVLN-YFHUEUNASA-N 3 0 336.480 -0.055 20 0 EBADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[N@H+](CCOCCO)C[C@@H]1O ZINC001221073118 811363583 /nfs/dbraw/zinc/36/35/83/811363583.db2.gz GVJMGZIAJNMQAM-CABCVRRESA-N 2 0 329.441 -0.967 20 0 EBADRP COCCOCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081951 811369568 /nfs/dbraw/zinc/36/95/68/811369568.db2.gz ZWOAARXUXPNSAE-CVEARBPZSA-N 2 0 343.468 -0.313 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001221091734 811377636 /nfs/dbraw/zinc/37/76/36/811377636.db2.gz WDJNXVRXSPPLGF-OAGGEKHMSA-N 2 0 343.468 -0.317 20 0 EBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221113795 811383204 /nfs/dbraw/zinc/38/32/04/811383204.db2.gz BKBRAWVNNOVLEW-AWEZNQCLSA-N 2 0 345.447 -0.231 20 0 EBADRP O=C(NCC1(c2ccccn2)CC[NH2+]CC1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001221114425 811383681 /nfs/dbraw/zinc/38/36/81/811383681.db2.gz YYVCJTCHLOSPMH-CQSZACIVSA-N 2 0 345.447 -0.851 20 0 EBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221124086 811385304 /nfs/dbraw/zinc/38/53/04/811385304.db2.gz VWKRADYNQOKDSA-AWEZNQCLSA-N 2 0 331.420 -0.355 20 0 EBADRP COCCOc1nccc(CNC(=O)C[C@@H]([NH3+])CCCC[NH3+])n1 ZINC001221158003 811395339 /nfs/dbraw/zinc/39/53/39/811395339.db2.gz RIIXIWGUWVPCOH-LBPRGKRZSA-N 2 0 325.413 -0.036 20 0 EBADRP COC[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221154530 811395429 /nfs/dbraw/zinc/39/54/29/811395429.db2.gz QJAPAUAJJYYRJS-XHSDSOJGSA-N 2 0 343.468 -0.579 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001221188365 811411045 /nfs/dbraw/zinc/41/10/45/811411045.db2.gz UBOBEEUZFSQIBS-DVOMOZLQSA-N 2 0 327.425 -0.068 20 0 EBADRP [NH3+][C@@H](CCCCNC(=O)C(F)(F)F)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221368119 811447069 /nfs/dbraw/zinc/44/70/69/811447069.db2.gz XZTJZBCLJLPUTE-KXUCPTDWSA-N 2 0 342.337 -0.021 20 0 EBADRP NC(=O)NCCC[C@H]([NH3+])C(=O)N1CCC(C2=CC=C(N)C[NH2+]2)CC1 ZINC001221390131 811448978 /nfs/dbraw/zinc/44/89/78/811448978.db2.gz AKWZARYUNYSFOJ-ZDUSSCGKSA-N 2 0 336.440 -0.670 20 0 EBADRP CN(C)C(=O)c1ccc(CCNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)cc1 ZINC001221391896 811449087 /nfs/dbraw/zinc/44/90/87/811449087.db2.gz FDAWLAAVFGJBPG-OAHLLOKOSA-N 2 0 330.432 -0.144 20 0 EBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC001221388349 811449366 /nfs/dbraw/zinc/44/93/66/811449366.db2.gz BUFPBMMOORRBDD-LBPRGKRZSA-N 3 0 326.445 -0.610 20 0 EBADRP COc1cccc([C@H](C[NH3+])NC(=O)[C@@H]([NH3+])CSCNC(C)=O)c1 ZINC001221407525 811450620 /nfs/dbraw/zinc/45/06/20/811450620.db2.gz ZUHNXWQTZOJAKM-KBPBESRZSA-N 2 0 340.449 -0.035 20 0 EBADRP COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221946778 811569031 /nfs/dbraw/zinc/56/90/31/811569031.db2.gz BOCLQHQTFVBJRR-RBSFLKMASA-N 2 0 329.441 -0.895 20 0 EBADRP O=C1CN(Cc2cccc(CN3CC[NH2+]CC3)c2)[C@]2(CC[NH2+]C2)CN1 ZINC001222372949 811624774 /nfs/dbraw/zinc/62/47/74/811624774.db2.gz HTCFFDGMLAPXJH-IBGZPJMESA-N 2 0 343.475 -0.244 20 0 EBADRP C[C@@H]1CNCC(F)(F)[C@@H]1C[N@@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001222520833 811637407 /nfs/dbraw/zinc/63/74/07/811637407.db2.gz LGMIOKXKEPTKGC-JMSVASOKSA-N 2 0 328.407 -0.111 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CCNS(C)(=O)=O)[C@H]2C1 ZINC001223425128 811705078 /nfs/dbraw/zinc/70/50/78/811705078.db2.gz NBHNAPICFAMPCU-KGLIPLIRSA-N 2 0 346.497 -0.590 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(CNC(=O)CCC[NH+](C)C)CC1 ZINC001224273301 811753196 /nfs/dbraw/zinc/75/31/96/811753196.db2.gz WERJJJXTYIYEGN-LBPRGKRZSA-N 2 0 341.456 -0.260 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001224534959 811763785 /nfs/dbraw/zinc/76/37/85/811763785.db2.gz BDISXJRBAGSZPL-LBPRGKRZSA-N 2 0 339.440 -0.506 20 0 EBADRP C[C@H](COCC(=O)NCC1CC[NH+](CC(N)=O)CC1)[NH+]1CCCC1 ZINC001224583035 811766974 /nfs/dbraw/zinc/76/69/74/811766974.db2.gz IWIKIQXXJIBEAI-CQSZACIVSA-N 2 0 340.468 -0.199 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001225245772 811799947 /nfs/dbraw/zinc/79/99/47/811799947.db2.gz XSNBPCVCOYFMQA-UHFFFAOYSA-N 2 0 341.456 -0.259 20 0 EBADRP COCCOC[C@@H](O)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001226555525 811870412 /nfs/dbraw/zinc/87/04/12/811870412.db2.gz XKIDCZJPLXBPOA-JKSUJKDBSA-N 2 0 343.468 -0.315 20 0 EBADRP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(N)=O)CCC1 ZINC001226783313 811885278 /nfs/dbraw/zinc/88/52/78/811885278.db2.gz XAEATLHAEIAPKN-VXGBXAGGSA-N 2 0 339.440 -0.317 20 0 EBADRP CCN(C(=O)COCC[NH+](C)C)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001080138300 811912181 /nfs/dbraw/zinc/91/21/81/811912181.db2.gz FUAPFZSVCWMRNY-AWEZNQCLSA-N 2 0 340.468 -0.424 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCOCC1 ZINC001228366988 811976208 /nfs/dbraw/zinc/97/62/08/811976208.db2.gz YMWWNZZLKUHTDP-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP COCCOC[C@H](O)C[NH+]1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228904409 812002966 /nfs/dbraw/zinc/00/29/66/812002966.db2.gz DTPLBSHXQGRUIJ-MRXNPFEDSA-N 2 0 345.484 -0.067 20 0 EBADRP C[NH+](C)CCC(=O)NC1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC001228999131 812008698 /nfs/dbraw/zinc/00/86/98/812008698.db2.gz NLAUIDBUCFNPDR-HNNXBMFYSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC(N)=O ZINC001229524921 812038053 /nfs/dbraw/zinc/03/80/53/812038053.db2.gz SGAOUXCJUIRACH-JHJVBQTASA-N 2 0 341.456 -0.071 20 0 EBADRP CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NC(=O)COCC[NH+](C)C)C(N)=O ZINC001229716010 812050330 /nfs/dbraw/zinc/05/03/30/812050330.db2.gz FVOIFLJZYDEKBS-MGPQQGTHSA-N 2 0 328.457 -0.155 20 0 EBADRP CC[N@H+](C)CCC(=O)NC1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC001229909057 812062217 /nfs/dbraw/zinc/06/22/17/812062217.db2.gz SSOUBCHTGSOISH-UHFFFAOYSA-N 2 0 339.440 -0.539 20 0 EBADRP C[NH+](C)CCOCC(=O)NC1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC001230048446 812071588 /nfs/dbraw/zinc/07/15/88/812071588.db2.gz BRXODVBUYMEAJV-AWEZNQCLSA-N 2 0 326.441 -0.576 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCS(C)(=O)=O)C1 ZINC001230138751 812080481 /nfs/dbraw/zinc/08/04/81/812080481.db2.gz QZWHVGBRUMGPJZ-MGPQQGTHSA-N 2 0 331.482 0.000 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[N@H+](CCO)Cc1cccnc1 ZINC001230898430 812253346 /nfs/dbraw/zinc/25/33/46/812253346.db2.gz IKXNUNCKIGWMJN-UHFFFAOYSA-N 2 0 338.452 -0.040 20 0 EBADRP CC[C@H](C(=O)NC1(CO)CCN(C(=O)CC[NH+](C)C)CC1)[NH+](C)C ZINC001080902844 812332334 /nfs/dbraw/zinc/33/23/34/812332334.db2.gz OKSJWZIZBNWOMW-CQSZACIVSA-N 2 0 342.484 -0.252 20 0 EBADRP CCC[N@H+](C)CC(=O)NC1(CO)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001080930256 812364574 /nfs/dbraw/zinc/36/45/74/812364574.db2.gz QAKBRDBPNSUNAY-UHFFFAOYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[C@@H]1C[N@H+](C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080940758 812376664 /nfs/dbraw/zinc/37/66/64/812376664.db2.gz GZVQCGSQHCXNOH-OWCLPIDISA-N 2 0 335.452 -0.224 20 0 EBADRP C[NH+](C)CCC(=O)NC1(CO)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001080989313 812428108 /nfs/dbraw/zinc/42/81/08/812428108.db2.gz RWTSREXJPIGUHY-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP c1cc(N2CC[NH2+]CC2)ncc1CN1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC001235000678 812459321 /nfs/dbraw/zinc/45/93/21/812459321.db2.gz AAESEWNPQRFFOG-GOSISDBHSA-N 2 0 347.463 -0.318 20 0 EBADRP O=C1NCCN(Cc2cccc(CN3CC[NH2+]CC3)c2)C12C[NH2+]C2 ZINC001235069175 812469791 /nfs/dbraw/zinc/46/97/91/812469791.db2.gz KXNLBANMADPNKU-UHFFFAOYSA-N 2 0 329.448 -0.634 20 0 EBADRP c1nc2n(c1CN1CCCO[C@]3(C[NH2+]CCOC3)C1)CC[NH2+]CC2 ZINC001235199086 812473651 /nfs/dbraw/zinc/47/36/51/812473651.db2.gz FXKDFQJWQPYUCR-QGZVFWFLSA-N 2 0 335.452 -0.390 20 0 EBADRP CN(C[C@@H]1CCN1[C@H]1CCC(=O)NC1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001235320740 812481092 /nfs/dbraw/zinc/48/10/92/812481092.db2.gz PDXVTQBZDHZJMY-STQMWFEESA-N 2 0 336.436 -0.191 20 0 EBADRP CN(C[C@H]1CCN1[C@@H]1CCC(=O)NC1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001235320730 812481565 /nfs/dbraw/zinc/48/15/65/812481565.db2.gz PDXVTQBZDHZJMY-CHWSQXEVSA-N 2 0 336.436 -0.191 20 0 EBADRP CN(C)C(=O)NCc1cc(=O)n2c(n1)C[N@@H+](CCCC[NH3+])CCC2 ZINC001235546571 812497088 /nfs/dbraw/zinc/49/70/88/812497088.db2.gz JMCNPTYANIVWEH-UHFFFAOYSA-N 2 0 336.440 -0.041 20 0 EBADRP Brc1c[nH]nc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871626 812514614 /nfs/dbraw/zinc/51/46/14/812514614.db2.gz UJCYWSLUMIPGPB-UHFFFAOYSA-N 2 0 331.262 -0.243 20 0 EBADRP c1cc(-c2nn[nH]n2)ccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235869701 812514731 /nfs/dbraw/zinc/51/47/31/812514731.db2.gz DBLNUARMEKHLIJ-UHFFFAOYSA-N 2 0 330.440 -0.549 20 0 EBADRP c1cn(-c2ccc(CN3CC[NH2+]CCNCC[NH2+]CC3)cc2)nn1 ZINC001235871688 812514758 /nfs/dbraw/zinc/51/47/58/812514758.db2.gz VAPDZMCCLGYACX-UHFFFAOYSA-N 2 0 329.452 -0.148 20 0 EBADRP CCOC(=O)c1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])[nH]1 ZINC001236311892 812516576 /nfs/dbraw/zinc/51/65/76/812516576.db2.gz WTSOOBGLEYOCBS-UHFFFAOYSA-N 2 0 339.440 -0.193 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])Cc1nc2c(s1)C[NH2+]CC2 ZINC001236311316 812517370 /nfs/dbraw/zinc/51/73/70/812517370.db2.gz HGBDPYPUZMMFKT-UHFFFAOYSA-N 3 0 340.497 -0.595 20 0 EBADRP COC(=O)c1ccc(CN(CCC[NH3+])CC(=O)NCCC[NH3+])cn1 ZINC001236311957 812517396 /nfs/dbraw/zinc/51/73/96/812517396.db2.gz OEDFWKMATKAISO-UHFFFAOYSA-N 2 0 337.424 -0.516 20 0 EBADRP O=C(c1ccc(NS(=O)(=O)[C@H]2CC[NH2+]C2)cc1)N1CC[NH2+]CC1 ZINC001237630603 812522326 /nfs/dbraw/zinc/52/23/26/812522326.db2.gz SCOBKLYQKPJTIT-AWEZNQCLSA-N 2 0 338.433 -0.164 20 0 EBADRP O=S(=O)(CC1CC[NH2+]CC1)NCc1nnn2c1C[NH2+]CCC2 ZINC001238248139 812524982 /nfs/dbraw/zinc/52/49/82/812524982.db2.gz QIQUPMZADIZKRR-UHFFFAOYSA-N 2 0 328.442 -0.810 20 0 EBADRP CCOC(=O)[C@H]1[NH2+]C[C@@H]2[C@H](NS(=O)(=O)[C@H]3CC[NH2+]C3)CC[C@@H]21 ZINC001238324679 812525545 /nfs/dbraw/zinc/52/55/45/812525545.db2.gz MCKZUNOFOSLHNG-NWBUJAPZSA-N 2 0 331.438 -0.803 20 0 EBADRP CCOC(=O)C[C@@H](NS(=O)(=O)[C@@H]1CC[NH2+]C1)C1CC[NH2+]CC1 ZINC001238511556 812529352 /nfs/dbraw/zinc/52/93/52/812529352.db2.gz HPJLMMRCHIWMNN-CHWSQXEVSA-N 2 0 333.454 -0.411 20 0 EBADRP CCOC(=O)CC1(NS(=O)(=O)CC2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001238719018 812531275 /nfs/dbraw/zinc/53/12/75/812531275.db2.gz HRFQEZRIVRJVCD-UHFFFAOYSA-N 2 0 347.481 -0.019 20 0 EBADRP O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001239070608 812539648 /nfs/dbraw/zinc/53/96/48/812539648.db2.gz MGXWWRJRBIBOKY-RRFJBIMHSA-N 2 0 329.466 -0.231 20 0 EBADRP COC(=O)c1ccc(OC)c(S(=O)(=O)N(CC[NH3+])CC[NH3+])c1 ZINC001239097374 812544532 /nfs/dbraw/zinc/54/45/32/812544532.db2.gz RNIPIMFRPJAHPZ-UHFFFAOYSA-N 2 0 331.394 -0.610 20 0 EBADRP CC(=O)N1CCc2cc(S(=O)(=O)N(CC[NH3+])CC[NH3+])ccc21 ZINC001239096112 812544547 /nfs/dbraw/zinc/54/45/47/812544547.db2.gz BBJPLKKNVJWHIZ-UHFFFAOYSA-N 2 0 326.422 -0.496 20 0 EBADRP [NH3+][C@@H]1CCN(c2ccc(NC[C@@H](O)CC3(O)CC[NH2+]CC3)cn2)C1 ZINC001245958354 812556376 /nfs/dbraw/zinc/55/63/76/812556376.db2.gz OBOSHUDRXZBPKF-HIFRSBDPSA-N 2 0 335.452 -0.104 20 0 EBADRP O[C@@H](C[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F)COCC(F)(F)C(F)F ZINC001245971076 812557258 /nfs/dbraw/zinc/55/72/58/812557258.db2.gz DTZSTVVBXLQARZ-ATZCPNFKSA-N 2 0 336.301 -0.084 20 0 EBADRP COCCC1(C[NH2+]C[C@H](O)CC2(O)CC[NH2+]CC2)CC[NH2+]CC1 ZINC001246006681 812558016 /nfs/dbraw/zinc/55/80/16/812558016.db2.gz RRYAXWIXQHRLFJ-OAHLLOKOSA-N 3 0 329.485 -0.152 20 0 EBADRP O[C@H](CN1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1)CC1(O)CC[NH2+]CC1 ZINC001246031567 812560873 /nfs/dbraw/zinc/56/08/73/812560873.db2.gz IUJZERQJYHSOCS-OBJOEFQTSA-N 2 0 337.386 -0.064 20 0 EBADRP O[C@]1(C[N@H+](CCN2CCOCC2)CC2CC[NH2+]CC2)CCC[NH2+]C1 ZINC001246059738 812562275 /nfs/dbraw/zinc/56/22/75/812562275.db2.gz CKPMSTJFTMZOPR-GOSISDBHSA-N 3 0 340.512 -0.265 20 0 EBADRP O[C@H](COCc1ccccc1)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246058447 812562693 /nfs/dbraw/zinc/56/26/93/812562693.db2.gz VLJQKBLHWHTCIO-SFHVURJKSA-N 2 0 336.480 -0.352 20 0 EBADRP C[C@@H](CN1CC[NH2+]CC1)N[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246075444 812563458 /nfs/dbraw/zinc/56/34/58/812563458.db2.gz FTNGIBXVENRWCY-MJBXVCDLSA-N 2 0 327.498 -0.867 20 0 EBADRP CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]CCC(=O)N2CC[NH2+]CC2)CN1 ZINC001246107920 812564562 /nfs/dbraw/zinc/56/45/62/812564562.db2.gz IXZSYNKNKQXHLB-STQMWFEESA-N 2 0 326.441 -0.530 20 0 EBADRP O=S(=O)(CC[NH2+][C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)N1CCNCC1 ZINC001246099286 812564928 /nfs/dbraw/zinc/56/49/28/812564928.db2.gz GMSXKJDEBJXFCY-HUUCEWRRSA-N 2 0 330.498 -0.267 20 0 EBADRP COC(=O)C1C[C@@H]2CC([NH2+]CCC(=O)N3CC[NH2+]CC3)C[C@H](C1)[NH2+]2 ZINC001246110184 812565176 /nfs/dbraw/zinc/56/51/76/812565176.db2.gz RVZLPTGHCQLXHH-ZMYVRHLSSA-N 3 0 338.452 -0.530 20 0 EBADRP O=C([C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H]3[NH2+]CCO[C@H]23)CN1)N1CCSC1 ZINC001246149582 812567347 /nfs/dbraw/zinc/56/73/47/812567347.db2.gz KDLKNFYFNWHJGY-YYFQZIEXSA-N 2 0 340.493 -0.394 20 0 EBADRP COC(=O)C1C[C@@H]2CC([NH2+]CCOCCOCC[NH3+])C[C@H](C1)[NH2+]2 ZINC001246286615 812569095 /nfs/dbraw/zinc/56/90/95/812569095.db2.gz ZDQSRSIINAQZOG-ZMYVRHLSSA-N 3 0 329.441 -0.360 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]([NH2+]CCOCCOCCOCC[NH3+])CCN1 ZINC001246283169 812569159 /nfs/dbraw/zinc/56/91/59/812569159.db2.gz FLVNGRAVLHEHCQ-CABCVRRESA-N 2 0 347.456 -0.732 20 0 EBADRP CCOC(=O)C[C@H]([NH2+][C@H]1CN[C@@H](C(=O)OC)C1)C1CC[NH2+]CC1 ZINC001246231489 812569335 /nfs/dbraw/zinc/56/93/35/812569335.db2.gz UVBDDDMCSLUZLJ-HZSPNIEDSA-N 2 0 327.425 -0.199 20 0 EBADRP O=C([C@@H]1C[C@H](N[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)C[NH2+]1)N1CCSC1 ZINC001246255040 812569749 /nfs/dbraw/zinc/56/97/49/812569749.db2.gz IPBHIAZENWXJBE-KNCOVGOOSA-N 2 0 340.493 -0.250 20 0 EBADRP CCOC(=O)C1(NC2C[C@H]3CC(C(=O)OC)C[C@@H](C2)[NH2+]3)C[NH2+]C1 ZINC001246345811 812570726 /nfs/dbraw/zinc/57/07/26/812570726.db2.gz OAAQFDKHYVMTOS-UNTZMWQOSA-N 2 0 325.409 -0.447 20 0 EBADRP CCS(=O)(=O)N1CCC(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246366201 812571806 /nfs/dbraw/zinc/57/18/06/812571806.db2.gz NBMCJTDGOSBBAP-AWEZNQCLSA-N 2 0 330.498 -0.268 20 0 EBADRP [NH3+]CCCC[NH2+]CCCN[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246457169 812572767 /nfs/dbraw/zinc/57/27/67/812572767.db2.gz OFOULISNOSOKCO-KGLIPLIRSA-N 3 0 329.514 -0.442 20 0 EBADRP COC(=O)[C@H](CCCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)NC(C)=O ZINC001246484624 812574027 /nfs/dbraw/zinc/57/40/27/812574027.db2.gz VWTJLLCIGGHZEL-KBPBESRZSA-N 2 0 326.441 -0.482 20 0 EBADRP O=C([C@@H]1C[C@@H](N2CCOC3(CC[NH2+]CC3)C2)C[NH2+]1)N1CCSC1 ZINC001246598771 812576604 /nfs/dbraw/zinc/57/66/04/812576604.db2.gz BXWZFOVFPAQLSC-KGLIPLIRSA-N 2 0 340.493 -0.296 20 0 EBADRP O=C([C@@H]1C[C@H](N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)C[NH2+]1)N1CCSC1 ZINC001246632637 812578110 /nfs/dbraw/zinc/57/81/10/812578110.db2.gz YOTKECIGDKVKEK-CBBWQLFWSA-N 2 0 340.493 -0.440 20 0 EBADRP O=C([C@@H]1C[C@@H](N2CCO[C@@H]3CC[NH2+]C[C@@H]32)C[NH2+]1)N1CCSC1 ZINC001246648687 812579490 /nfs/dbraw/zinc/57/94/90/812579490.db2.gz ZYSXXVMKDMDEKO-ZOBORPQBSA-N 2 0 326.466 -0.688 20 0 EBADRP CN(C)C(=O)[C@@H]1CCO[C@@H]2CC[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21 ZINC001246707029 812581374 /nfs/dbraw/zinc/58/13/74/812581374.db2.gz YJGJGQQESBVDGF-KLHDSHLOSA-N 2 0 336.480 -0.104 20 0 EBADRP c1ncc(O[C@@H]2C[C@@H]3CN([C@H]4CCNC5(C[NH2+]C5)C4)CC[N@@H+]3C2)cn1 ZINC001246706175 812581916 /nfs/dbraw/zinc/58/19/16/812581916.db2.gz BOJAZWCQMKUGBM-ARFHVFGLSA-N 2 0 344.463 -0.292 20 0 EBADRP Cn1cc(N2CC[C@]3(CC[N@@H+]([C@H]4CCNC5(C[NH2+]C5)C4)C3)C2=O)cn1 ZINC001246720085 812582850 /nfs/dbraw/zinc/58/28/50/812582850.db2.gz LNUNAPZLCORDGT-YOEHRIQHSA-N 2 0 344.463 -0.057 20 0 EBADRP Cn1cc(N2CC[C@@]3(CC[N@@H+]([C@H]4CCNC5(C[NH2+]C5)C4)C3)C2=O)cn1 ZINC001246720079 812583479 /nfs/dbraw/zinc/58/34/79/812583479.db2.gz LNUNAPZLCORDGT-WMLDXEAASA-N 2 0 344.463 -0.057 20 0 EBADRP O=C(N[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)[C@@H]2COC[C@H]12)C1CCC1 ZINC001246728048 812584665 /nfs/dbraw/zinc/58/46/65/812584665.db2.gz JYAXVRXPPWNKOQ-KLHDSHLOSA-N 2 0 334.464 -0.304 20 0 EBADRP CS(=O)(=O)N(Cc1cnc2n1CC[NH2+]CC2)C1CC[NH2+]CC1 ZINC001246737125 812584850 /nfs/dbraw/zinc/58/48/50/812584850.db2.gz OJVAAWSVVGGYCS-UHFFFAOYSA-N 2 0 327.454 -0.458 20 0 EBADRP C[C@@H]1CC[C@@H](N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)C[NH2+]1 ZINC001246740194 812585099 /nfs/dbraw/zinc/58/50/99/812585099.db2.gz UZZLVOPUYOCSSY-CHWSQXEVSA-N 2 0 341.481 -0.069 20 0 EBADRP O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CCNC3(C[NH2+]C3)C2)O1 ZINC001246744064 812586557 /nfs/dbraw/zinc/58/65/57/812586557.db2.gz ZAEBGBDFHKLKBT-JJXSEGSLSA-N 2 0 334.464 -0.162 20 0 EBADRP O=C(C[C@]12COC[C@H]1C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2)NCC1CC1 ZINC001246745534 812586817 /nfs/dbraw/zinc/58/68/17/812586817.db2.gz PNQOSOVJRBVCCQ-NUJGCVRESA-N 2 0 348.491 -0.055 20 0 EBADRP CCOC(=O)N1CCC(N2CC[NH2+]CCNCC[NH2+]CC2)CC1 ZINC001246821914 812588699 /nfs/dbraw/zinc/58/86/99/812588699.db2.gz OQTLWMJLUYXARK-UHFFFAOYSA-N 2 0 327.473 -0.308 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@@H]1CCN(C2CC2)C(=O)C1 ZINC001246922947 812592716 /nfs/dbraw/zinc/59/27/16/812592716.db2.gz AEWIPBJJZUEDMV-CQSZACIVSA-N 3 0 325.457 -0.744 20 0 EBADRP CCOC(=O)N1CC[C@@H](N(CCC[NH3+])CC(=O)NCCC[NH3+])C1 ZINC001246923136 812592975 /nfs/dbraw/zinc/59/29/75/812592975.db2.gz ARKVLTWKGCBPMS-CYBMUJFWSA-N 2 0 329.445 -0.667 20 0 EBADRP CCOC[C@@H](O)C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001252024681 812641707 /nfs/dbraw/zinc/64/17/07/812641707.db2.gz PODCPWSIZAZRLI-OWCLPIDISA-N 2 0 343.468 -0.505 20 0 EBADRP O=c1ccc2c(n1CC[NH+]1CCCC1)CC[C@@H]([NH2+]C[C@H](O)CO)C2 ZINC001252068852 812645895 /nfs/dbraw/zinc/64/58/95/812645895.db2.gz SULIEKOBBJJSAJ-CVEARBPZSA-N 2 0 335.448 -0.256 20 0 EBADRP Cc1cn(CC(=O)NCC[NH2+][C@H]2CCC[N@@H+](C)CC2)c(=O)[nH]c1=O ZINC001254506955 812705829 /nfs/dbraw/zinc/70/58/29/812705829.db2.gz DIKJQRVVNISEKL-ZDUSSCGKSA-N 2 0 337.424 -0.553 20 0 EBADRP Cn1cc(C[C@@H]2[NH2+]CC[C@H]2N([C@@H]2CC[N@H+](C)C2)S(C)(=O)=O)cn1 ZINC001255430134 812713151 /nfs/dbraw/zinc/71/31/51/812713151.db2.gz WTFMSMJPROHUIV-QLFBSQMISA-N 2 0 341.481 -0.341 20 0 EBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH3+])CCN1C(=O)OC(C)(C)C ZINC001256490997 812733790 /nfs/dbraw/zinc/73/37/90/812733790.db2.gz ZVNABMJIFTUBPI-TUAOUCFPSA-N 2 0 331.413 -0.163 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001256780097 812739178 /nfs/dbraw/zinc/73/91/78/812739178.db2.gz RHWLOAQWVZQYKS-AWEZNQCLSA-N 2 0 328.457 -0.519 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC001261454743 812909670 /nfs/dbraw/zinc/90/96/70/812909670.db2.gz QDERWUDMTDYSPO-HNNXBMFYSA-N 2 0 339.484 -0.612 20 0 EBADRP CN(CCOCC[NH3+])C(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC001262009017 813028248 /nfs/dbraw/zinc/02/82/48/813028248.db2.gz HSSLBEBRVIWDKT-SECBINFHSA-N 2 0 332.355 -0.203 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1c(C[NH3+])cnn1C ZINC001262007680 813028518 /nfs/dbraw/zinc/02/85/18/813028518.db2.gz NKURSMNNRNWGPK-CYBMUJFWSA-N 2 0 336.440 -0.449 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCCC(C)(C)[NH3+])CCCO1 ZINC001262061104 813031141 /nfs/dbraw/zinc/03/11/41/813031141.db2.gz RHPOSLDKYSVJAC-CYBMUJFWSA-N 2 0 328.457 -0.153 20 0 EBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001262068277 813031525 /nfs/dbraw/zinc/03/15/25/813031525.db2.gz WYNUAIKRFOFFGQ-BETUJISGSA-N 2 0 340.468 -0.155 20 0 EBADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001262075034 813034800 /nfs/dbraw/zinc/03/48/00/813034800.db2.gz ILMMASRNFKGWIL-HUUCEWRRSA-N 2 0 339.484 -0.532 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001081500151 813077304 /nfs/dbraw/zinc/07/73/04/813077304.db2.gz ROXQLAHMCVPUIC-HUUCEWRRSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081504356 813091452 /nfs/dbraw/zinc/09/14/52/813091452.db2.gz ZODWXGMHQSPDCK-LSDHHAIUSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001262545674 813093082 /nfs/dbraw/zinc/09/30/82/813093082.db2.gz FWGZWCLZDNKSQB-IHRRRGAJSA-N 2 0 326.441 -0.984 20 0 EBADRP [NH3+]CCN1CCC[C@H](C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC001263160599 813108360 /nfs/dbraw/zinc/10/83/60/813108360.db2.gz IOGQLBSAFIKMRX-LSDHHAIUSA-N 2 0 338.452 -0.447 20 0 EBADRP [NH3+]CCN1CCC[C@@H](C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1=O ZINC001263178937 813108781 /nfs/dbraw/zinc/10/87/81/813108781.db2.gz ZYDSBXIMRXQHMG-KBPBESRZSA-N 2 0 338.452 -0.541 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081553092 813165218 /nfs/dbraw/zinc/16/52/18/813165218.db2.gz FLUJYDPLSBLBSL-CABCVRRESA-N 2 0 340.468 -0.642 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001081553975 813168762 /nfs/dbraw/zinc/16/87/62/813168762.db2.gz PZDNWGAQJGRSEZ-LSDHHAIUSA-N 2 0 342.484 -0.396 20 0 EBADRP CC(=O)NCCOCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001265316992 813305046 /nfs/dbraw/zinc/30/50/46/813305046.db2.gz HPGYMXRJYWJFFU-OAHLLOKOSA-N 2 0 326.441 -0.575 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001265422735 813322390 /nfs/dbraw/zinc/32/23/90/813322390.db2.gz YHOAWNPOQWFIIH-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001265546368 813337603 /nfs/dbraw/zinc/33/76/03/813337603.db2.gz KHTYDIMWRUBBFI-FRRDWIJNSA-N 2 0 332.470 -0.743 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081635120 813339767 /nfs/dbraw/zinc/33/97/67/813339767.db2.gz PTLPXBCGOCAKHA-GJZGRUSLSA-N 2 0 340.468 -0.641 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001265636551 813352897 /nfs/dbraw/zinc/35/28/97/813352897.db2.gz LHNUWANMJOEABC-UONOGXRCSA-N 2 0 338.452 -0.040 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001081700765 813438624 /nfs/dbraw/zinc/43/86/24/813438624.db2.gz LAYKAGUSJSKNPA-LSDHHAIUSA-N 2 0 342.484 -0.395 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC(=O)NC(N)=O ZINC001266204878 813478056 /nfs/dbraw/zinc/47/80/56/813478056.db2.gz ZMZCETGZXJIWMI-OLZOCXBDSA-N 2 0 339.440 -0.364 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1O ZINC001081733795 813489817 /nfs/dbraw/zinc/48/98/17/813489817.db2.gz YYKLDXZRXGIETN-KGLIPLIRSA-N 2 0 340.468 -0.785 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1O ZINC001081733797 813490014 /nfs/dbraw/zinc/49/00/14/813490014.db2.gz YYKLDXZRXGIETN-ZIAGYGMSSA-N 2 0 340.468 -0.785 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH+]2CCN(CCn3cccn3)CC2)C1 ZINC001266277614 813506076 /nfs/dbraw/zinc/50/60/76/813506076.db2.gz JECVDNRZIQOUTD-QGZVFWFLSA-N 2 0 348.495 -0.041 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1O ZINC001081773600 813537077 /nfs/dbraw/zinc/53/70/77/813537077.db2.gz CZVOKKYBDVOCLU-GJZGRUSLSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C2CC2)CCC1 ZINC001266411620 813560930 /nfs/dbraw/zinc/56/09/30/813560930.db2.gz APYJCRBBFWWSIT-STQMWFEESA-N 2 0 336.436 -0.240 20 0 EBADRP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CC(=O)N2CCO[C@@H](C)C2)CC[N@@H+]1C ZINC001266704004 813645378 /nfs/dbraw/zinc/64/53/78/813645378.db2.gz QIRYGGCEBMRAAG-RRFJBIMHSA-N 2 0 340.468 -0.378 20 0 EBADRP CN(CC[NH2+]CC(=O)Nc1cnccn1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266744041 813658082 /nfs/dbraw/zinc/65/80/82/813658082.db2.gz OCSVGQOXYWDQAS-ZDUSSCGKSA-N 2 0 334.424 -0.053 20 0 EBADRP CN(CC[NH2+]C[C@H](O)CN1CCCC1=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266808897 813675046 /nfs/dbraw/zinc/67/50/46/813675046.db2.gz PEJAFCKGPXKTJC-GJZGRUSLSA-N 2 0 340.468 -0.498 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001266875414 813689723 /nfs/dbraw/zinc/68/97/23/813689723.db2.gz ZCFMWSWOFMTCLE-UONOGXRCSA-N 2 0 346.497 -0.400 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](C[NH2+]CCN3CCNC3=O)C2)C1 ZINC001267064790 813750252 /nfs/dbraw/zinc/75/02/52/813750252.db2.gz MMCGQZXHELFPMK-HUUCEWRRSA-N 2 0 337.468 -0.209 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N(C)CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001267380505 813867545 /nfs/dbraw/zinc/86/75/45/813867545.db2.gz PUMNTQHZAYQNSL-VXGBXAGGSA-N 2 0 330.404 -0.481 20 0 EBADRP CN(CC[NH2+]CCN1CCNC1=O)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001267386579 813870238 /nfs/dbraw/zinc/87/02/38/813870238.db2.gz MXGWPRXITHOPOD-AWEZNQCLSA-N 2 0 325.457 -0.066 20 0 EBADRP CN(CC[NH2+]CC(=O)NC1CCOCC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267415904 813884672 /nfs/dbraw/zinc/88/46/72/813884672.db2.gz XQPDWBHSZZDKCO-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[C@H](C(=O)N(C)CC[NH2+]CC(=O)N1CCO[C@H](C)C1)[NH+](C)C ZINC001267456589 813902218 /nfs/dbraw/zinc/90/22/18/813902218.db2.gz BYCGHNHZVUYFPB-ZIAGYGMSSA-N 2 0 328.457 -0.378 20 0 EBADRP CN(CC[NH2+]C[C@@H](O)COC1CCOCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267468629 813906062 /nfs/dbraw/zinc/90/60/62/813906062.db2.gz AGVHSASISGSCIL-LSDHHAIUSA-N 2 0 343.468 -0.457 20 0 EBADRP CC(C)[C@H](C(=O)N(C)CC[NH2+][C@@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001267474303 813911133 /nfs/dbraw/zinc/91/11/33/813911133.db2.gz PEUZYBNORPGERZ-UKRRQHHQSA-N 2 0 338.452 -0.040 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C)C(N)=O ZINC001082517828 813962207 /nfs/dbraw/zinc/96/22/07/813962207.db2.gz IRGOMNYBKPEKRK-YRGRVCCFSA-N 2 0 336.440 -0.631 20 0 EBADRP C[C@H]([NH2+][C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C)C(N)=O ZINC001082517827 813962391 /nfs/dbraw/zinc/96/23/91/813962391.db2.gz IRGOMNYBKPEKRK-MBNYWOFBSA-N 2 0 336.440 -0.631 20 0 EBADRP CC(=O)NCCOCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267698630 813993190 /nfs/dbraw/zinc/99/31/90/813993190.db2.gz CYSLWOQQEHFUIT-OAHLLOKOSA-N 2 0 326.441 -0.861 20 0 EBADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C)C(N)=O ZINC001082828834 814013350 /nfs/dbraw/zinc/01/33/50/814013350.db2.gz LHGFMFFLYSMVDH-BPLDGKMQSA-N 2 0 340.468 -0.202 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CCn2cc(Cl)cn2)C1 ZINC001268336609 814215974 /nfs/dbraw/zinc/21/59/74/814215974.db2.gz VAUZKYBPQJENOX-AAEUAGOBSA-N 2 0 329.832 -0.445 20 0 EBADRP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001268364475 814222659 /nfs/dbraw/zinc/22/26/59/814222659.db2.gz DTZATSMPJWBADI-STQMWFEESA-N 2 0 338.456 -0.034 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268397223 814231202 /nfs/dbraw/zinc/23/12/02/814231202.db2.gz WJTWAHHNIDQSNL-RYUDHWBXSA-N 2 0 327.429 -0.589 20 0 EBADRP C[C@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268422762 814237745 /nfs/dbraw/zinc/23/77/45/814237745.db2.gz HNRZFJWAASSJNI-ZIAGYGMSSA-N 2 0 326.441 -0.719 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001268525318 814275343 /nfs/dbraw/zinc/27/53/43/814275343.db2.gz XDPWUXRLAKHRTN-OKYAQOQYSA-N 2 0 338.452 -0.362 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001268576213 814300982 /nfs/dbraw/zinc/30/09/82/814300982.db2.gz UEPSFDNQGVRKLU-GWSUEFFPSA-N 2 0 329.466 -0.223 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001268576214 814302056 /nfs/dbraw/zinc/30/20/56/814302056.db2.gz UEPSFDNQGVRKLU-KUHFFWNOSA-N 2 0 329.466 -0.223 20 0 EBADRP C[NH+]1CCC(C(=O)NC/C=C/C[NH2+]CCNS(C)(=O)=O)CC1 ZINC001268586632 814305982 /nfs/dbraw/zinc/30/59/82/814305982.db2.gz FGKPBMMZJAAOFA-ONEGZZNKSA-N 2 0 332.470 -0.861 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC=CC[NH2+]Cc2cc(=O)n3nccc3[nH]2)C1 ZINC001268626108 814325435 /nfs/dbraw/zinc/32/54/35/814325435.db2.gz MSWRSAWUWFERAD-XQJDBVBESA-N 2 0 344.419 -0.264 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC=CC[NH2+]Cc2cc(=O)n3nccc3[nH]2)C1 ZINC001268626109 814325809 /nfs/dbraw/zinc/32/58/09/814325809.db2.gz MSWRSAWUWFERAD-YWVDXFKGSA-N 2 0 344.419 -0.264 20 0 EBADRP C[C@@H](C[N@H+](C)CCCN1C(=O)CNC1=O)NC(=O)[C@@H]1CCC[NH+]1C ZINC001268726952 814365783 /nfs/dbraw/zinc/36/57/83/814365783.db2.gz URCQPLLTNDSKCQ-STQMWFEESA-N 2 0 339.440 -0.541 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268810393 814393731 /nfs/dbraw/zinc/39/37/31/814393731.db2.gz IAPMABUVCSBEBT-CYBMUJFWSA-N 2 0 341.456 -0.246 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268920835 814442636 /nfs/dbraw/zinc/44/26/36/814442636.db2.gz XRULPPWJBKIWAI-QWHCGFSZSA-N 2 0 343.472 -0.145 20 0 EBADRP CC(C)[C@H](C(=O)N(C)CCC[NH2+][C@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001268920907 814442697 /nfs/dbraw/zinc/44/26/97/814442697.db2.gz YWAVDSIVECCJAY-GXTWGEPZSA-N 2 0 326.441 -0.184 20 0 EBADRP CN(C)C(=O)C[N@H+]1CC[C@H]2CN(C(=O)CN(C)C(N)=[NH2+])C[C@H]2CC1 ZINC001268996302 814467438 /nfs/dbraw/zinc/46/74/38/814467438.db2.gz LGYJZXBBXQUMQX-BETUJISGSA-N 2 0 338.456 -0.930 20 0 EBADRP C[C@H](C(=O)N1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2)n1ccnc1 ZINC001269158656 814556237 /nfs/dbraw/zinc/55/62/37/814556237.db2.gz YISNJVRASISXPR-PBHICJAKSA-N 2 0 349.435 -0.164 20 0 EBADRP C[NH+]1CCC(OCC(=O)N[C@@H]2CC[N@H+](CCOCCO)C2)CC1 ZINC001269182139 814570221 /nfs/dbraw/zinc/57/02/21/814570221.db2.gz DSDUMYHLDWESSV-CQSZACIVSA-N 2 0 329.441 -0.703 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001269186395 814572745 /nfs/dbraw/zinc/57/27/45/814572745.db2.gz GJWZAZWUGAMBFY-QGZVFWFLSA-N 2 0 340.468 -0.280 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](CCc3ccnn3C)C[C@@H]2O)CC[N@@H+]1C ZINC001083727380 814734309 /nfs/dbraw/zinc/73/43/09/814734309.db2.gz ZZJZGCKQWWZZPA-DIECFANBSA-N 2 0 349.479 -0.146 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@]2(CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC001269735642 815584105 /nfs/dbraw/zinc/58/41/05/815584105.db2.gz BYXUHMYTWGNYFL-GUYCJALGSA-N 2 0 336.436 -0.332 20 0 EBADRP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@@H](O)C2)cn1 ZINC001083954097 815736368 /nfs/dbraw/zinc/73/63/68/815736368.db2.gz KLSHINXRJUABID-OIISXLGYSA-N 2 0 349.479 -0.051 20 0 EBADRP O=C(N[C@@H]1C[N@@H+](C[C@H]2CCc3ncnn32)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959549 815741959 /nfs/dbraw/zinc/74/19/59/815741959.db2.gz YOORMWREFQYXSM-MCIONIFRSA-N 2 0 346.435 -0.978 20 0 EBADRP CCn1cc(CC[N@H+]2C[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@@H](O)C2)cn1 ZINC001084053548 815798225 /nfs/dbraw/zinc/79/82/25/815798225.db2.gz BKZKBLVZKIKTRW-XHSDSOJGSA-N 2 0 335.452 -0.442 20 0 EBADRP CC[NH+](CC)CCC(=O)N1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001270535755 815807099 /nfs/dbraw/zinc/80/70/99/815807099.db2.gz XDLRVDAJZAENDJ-UHFFFAOYSA-N 2 0 340.468 -0.280 20 0 EBADRP C[NH+](C)CCN1CC2(CN(C(=O)[C@H]3C[C@@H]([NH+](C)C)C3)C2)OCC1=O ZINC001270961938 815939825 /nfs/dbraw/zinc/93/98/25/815939825.db2.gz FDUBPHGOFHQJJC-OKILXGFUSA-N 2 0 338.452 -0.672 20 0 EBADRP C[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001084714022 815966497 /nfs/dbraw/zinc/96/64/97/815966497.db2.gz KIRVSBJUDAEONN-SQWLQELKSA-N 2 0 335.452 -0.028 20 0 EBADRP C[C@H](C[NH2+]CCN1CCCS1(=O)=O)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001271068494 815973868 /nfs/dbraw/zinc/97/38/68/815973868.db2.gz PXRPPZITEOJOGL-ZIAGYGMSSA-N 2 0 346.497 -0.447 20 0 EBADRP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001271085840 815979347 /nfs/dbraw/zinc/97/93/47/815979347.db2.gz GKEWFLMSCIVLLU-RRFJBIMHSA-N 2 0 338.452 -0.794 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CCN4C(=O)CNC4=O)C[C@H]32)C1 ZINC001084831690 815991357 /nfs/dbraw/zinc/99/13/57/815991357.db2.gz WLENLTZFNMFRAL-MGPQQGTHSA-N 2 0 349.435 -0.977 20 0 EBADRP O=C(N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(=O)NC1=O)C12CC[NH+](CC1)C2 ZINC001085395564 816046231 /nfs/dbraw/zinc/04/62/31/816046231.db2.gz RJIDLYUIUGQKIX-MCIONIFRSA-N 2 0 348.447 -0.096 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001086046056 816214045 /nfs/dbraw/zinc/21/40/45/816214045.db2.gz JCMDDLQDYHSWAF-HZSPNIEDSA-N 2 0 348.451 -0.113 20 0 EBADRP Cn1nncc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001086091629 816226474 /nfs/dbraw/zinc/22/64/74/816226474.db2.gz HHCKDODCFSCNCN-CTASWTNQSA-N 2 0 348.451 -0.337 20 0 EBADRP Cn1nncc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001086091631 816227221 /nfs/dbraw/zinc/22/72/21/816227221.db2.gz HHCKDODCFSCNCN-HLPPOEQASA-N 2 0 348.451 -0.337 20 0 EBADRP Cn1ncnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001086091906 816227655 /nfs/dbraw/zinc/22/76/55/816227655.db2.gz RZSNBMSAMDOMBA-LJISPDSOSA-N 2 0 348.451 -0.337 20 0 EBADRP CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1)C(N)=O ZINC001086177455 816261112 /nfs/dbraw/zinc/26/11/12/816261112.db2.gz USVVOAZRNBNYSQ-LXTVHRRPSA-N 2 0 340.468 -0.156 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001086198601 816268359 /nfs/dbraw/zinc/26/83/59/816268359.db2.gz YWFHZFYWNZRXAH-WUHRBBMRSA-N 2 0 336.440 -0.710 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3nnc4n3CCOC4)C2)C1 ZINC001086271522 816285251 /nfs/dbraw/zinc/28/52/51/816285251.db2.gz BYGXQGTXIJXZGC-MCIONIFRSA-N 2 0 348.451 -0.256 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@H]3CCS(=O)(=O)C3)C2)C1 ZINC001086272167 816285676 /nfs/dbraw/zinc/28/56/76/816285676.db2.gz WULJCVHBMAYJLN-TUVASFSCSA-N 2 0 343.493 -0.143 20 0 EBADRP Cn1cnnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001086372891 816309718 /nfs/dbraw/zinc/30/97/18/816309718.db2.gz BYRFPQWITHYQHZ-AJNGGQMLSA-N 2 0 348.451 -0.337 20 0 EBADRP Cc1nn(C)cc1C[NH2+]CCN(CCO)C(=O)C1CC[NH+](C)CC1 ZINC001272250339 816370462 /nfs/dbraw/zinc/37/04/62/816370462.db2.gz BEFAWVUFSJYFRN-UHFFFAOYSA-N 2 0 337.468 -0.019 20 0 EBADRP CN(C)CC[N@H+]1CC[C@H]2CN(C(=O)[C@@H]3C[C@H](O)C[NH+]3C)C[C@H]2CC1 ZINC001272273552 816379693 /nfs/dbraw/zinc/37/96/93/816379693.db2.gz QCNYBEFMZFJSQW-YVSFHVDLSA-N 2 0 338.496 -0.217 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(N)=O)C2)n1 ZINC001086698948 816395052 /nfs/dbraw/zinc/39/50/52/816395052.db2.gz JZQCAAWQLTWQMU-QWHCGFSZSA-N 2 0 336.440 -0.582 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCNS(C)(=O)=O)C1 ZINC001272383672 816416336 /nfs/dbraw/zinc/41/63/36/816416336.db2.gz ITUIVHQUGAWQCE-KBPBESRZSA-N 2 0 346.497 -0.542 20 0 EBADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cnn(C)c1 ZINC001087005671 816443458 /nfs/dbraw/zinc/44/34/58/816443458.db2.gz OCGLACAIONBTMF-VNQPRFMTSA-N 2 0 347.463 -0.219 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@H](CC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001272555339 816472442 /nfs/dbraw/zinc/47/24/42/816472442.db2.gz JNWXQGVNVIFTJX-OAHLLOKOSA-N 2 0 340.468 -0.375 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](CC[NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001272641833 816499864 /nfs/dbraw/zinc/49/98/64/816499864.db2.gz PCMKISBLVYOQIU-UONOGXRCSA-N 2 0 346.497 -0.685 20 0 EBADRP COc1cncc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CN(C)CCO2)n1 ZINC001272702547 816509082 /nfs/dbraw/zinc/50/90/82/816509082.db2.gz HVCIGCUVFHQSLT-TZMCWYRMSA-N 2 0 337.424 -0.200 20 0 EBADRP C[C@@H](CC[NH2+]Cc1nnnn1C1CC1)NC(=O)[C@H]1CN(C)CCO1 ZINC001272704905 816509432 /nfs/dbraw/zinc/50/94/32/816509432.db2.gz WQPAVPSFVIROGZ-WCQYABFASA-N 2 0 337.428 -0.677 20 0 EBADRP C[C@H](CC[NH2+]Cc1ccn(C)c(=O)c1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001272704024 816509540 /nfs/dbraw/zinc/50/95/40/816509540.db2.gz PDKIOBSMBRDNAD-HIFRSBDPSA-N 2 0 336.436 -0.300 20 0 EBADRP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCN1CCNC1=O ZINC001087828405 816564366 /nfs/dbraw/zinc/56/43/66/816564366.db2.gz KEASHDPHEPZRMV-QLFBSQMISA-N 2 0 337.468 -0.068 20 0 EBADRP C[C@H](CC[NH2+]CC(=O)N1CCOCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001273019316 816568316 /nfs/dbraw/zinc/56/83/16/816568316.db2.gz VHJCJMIAEZIWBY-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP COCCOCN1C[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273030542 816570886 /nfs/dbraw/zinc/57/08/86/816570886.db2.gz NWIBQUVAHCSADU-QGZVFWFLSA-N 2 0 341.452 -0.090 20 0 EBADRP O=C(C[N@H+]1CC[C@@H](O)C1)N1CC2(C1)CC[NH+](Cc1cccc(=O)[nH]1)C2 ZINC001273069551 816576952 /nfs/dbraw/zinc/57/69/52/816576952.db2.gz JKBHJRHJDDQQAO-OAHLLOKOSA-N 2 0 346.431 -0.112 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]CCN2CCCC2=O)C1 ZINC001273299838 816636028 /nfs/dbraw/zinc/63/60/28/816636028.db2.gz IEUSUJXGHMDMPQ-LSDHHAIUSA-N 2 0 338.452 -0.480 20 0 EBADRP COC(=O)[C@H](C)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273416351 816670909 /nfs/dbraw/zinc/67/09/09/816670909.db2.gz ZVOMTZYKEJQPTF-PBHICJAKSA-N 2 0 341.452 -0.092 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCCCC[C@H]([NH2+]CC(N)=O)C1 ZINC001088427616 816681823 /nfs/dbraw/zinc/68/18/23/816681823.db2.gz ZCZOMNRTOZVAGQ-GJZGRUSLSA-N 2 0 340.468 -0.199 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCN1CCNC1=O ZINC001088980284 816774818 /nfs/dbraw/zinc/77/48/18/816774818.db2.gz CORILECRDFCXOD-ILXRZTDVSA-N 2 0 337.468 -0.068 20 0 EBADRP CCS(=O)(=O)CCN1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273837543 816780960 /nfs/dbraw/zinc/78/09/60/816780960.db2.gz AUAGYWGFZVWSIM-HNNXBMFYSA-N 2 0 347.481 -0.714 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001273910334 816806964 /nfs/dbraw/zinc/80/69/64/816806964.db2.gz PEJIXCVKLVEOTH-ZYOFXKKJSA-N 2 0 325.413 -0.812 20 0 EBADRP C[NH+](C)CCC(=O)NC1(C[NH2+]CCN2CCNC2=O)CCOCC1 ZINC001273994768 816834511 /nfs/dbraw/zinc/83/45/11/816834511.db2.gz HXBVEZYUBRZPTR-UHFFFAOYSA-N 2 0 341.456 -0.782 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(=O)N1CCOCC1 ZINC001274132669 816877131 /nfs/dbraw/zinc/87/71/31/816877131.db2.gz CURQTOACGIIMAC-BWPKMQGJSA-N 2 0 338.452 -0.409 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CCO)CC3(CCOCC3)C2)C1 ZINC001089969482 816958217 /nfs/dbraw/zinc/95/82/17/816958217.db2.gz UFEQQYXYVNIWGO-GJZGRUSLSA-N 2 0 325.453 -0.082 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)COC1CC[NH+](C)CC1 ZINC001274471530 816974968 /nfs/dbraw/zinc/97/49/68/816974968.db2.gz IAQNBOPCPLKLMN-MUBLQREKSA-N 2 0 326.441 -0.506 20 0 EBADRP CC(C)OC[C@@H](O)C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274628566 817045921 /nfs/dbraw/zinc/04/59/21/817045921.db2.gz UWZWFXVKUSUNRB-RDJZCZTQSA-N 2 0 343.468 -0.363 20 0 EBADRP C[C@H](C[NH2+]CCN(C)S(C)(=O)=O)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001274919033 817120939 /nfs/dbraw/zinc/12/09/39/817120939.db2.gz INJCQXGNKFIRLO-CHWSQXEVSA-N 2 0 334.486 -0.686 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001275156604 817157962 /nfs/dbraw/zinc/15/79/62/817157962.db2.gz GLLBZTKGGAGHAH-GXTWGEPZSA-N 2 0 346.497 -0.638 20 0 EBADRP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H](C)[NH2+]CCN1C(=O)CCC1=O ZINC001275471561 817225677 /nfs/dbraw/zinc/22/56/77/817225677.db2.gz SWUGLJKXSLRBNU-CHWSQXEVSA-N 2 0 338.452 -0.040 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH2+][C@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001276190280 817370885 /nfs/dbraw/zinc/37/08/85/817370885.db2.gz PZUXTLDBQFJJGT-IHRRRGAJSA-N 2 0 338.452 -0.040 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CC(=O)NC(=O)NC ZINC001276404153 817399040 /nfs/dbraw/zinc/39/90/40/817399040.db2.gz GTTPXWCVXAXOTQ-CYBMUJFWSA-N 2 0 341.456 -0.246 20 0 EBADRP CC[C@@H](C(=O)N[C@H](C)C1C[NH+](CCN2C(=O)CCC2=O)C1)[NH+](C)C ZINC001276431526 817403266 /nfs/dbraw/zinc/40/32/66/817403266.db2.gz FRTBYAQIRWZSAY-OCCSQVGLSA-N 2 0 338.452 -0.088 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001276947285 817499567 /nfs/dbraw/zinc/49/95/67/817499567.db2.gz QNIUGJGXZCLURJ-MGPQQGTHSA-N 2 0 336.436 -0.286 20 0 EBADRP Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](O)C2)cn1 ZINC001090536227 817517576 /nfs/dbraw/zinc/51/75/76/817517576.db2.gz CGAZEMGIJOHCDU-SJORKVTESA-N 2 0 349.479 -0.144 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](C[NH2+]CCS(C)(=O)=O)C2)C1 ZINC001277075335 817518405 /nfs/dbraw/zinc/51/84/05/817518405.db2.gz VILONBJZQKYUHA-IHRRRGAJSA-N 2 0 331.482 -0.143 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCn3cccn3)C[C@H]2O)CC1 ZINC001090537601 817521063 /nfs/dbraw/zinc/52/10/63/817521063.db2.gz MQSKFUIQGJLFMX-JKSUJKDBSA-N 2 0 335.452 -0.224 20 0 EBADRP CS(=O)(=O)CCNC(=O)C12CC([NH2+]CC3CC[NH2+]CC3)(C1)C2 ZINC001277821073 817640027 /nfs/dbraw/zinc/64/00/27/817640027.db2.gz CJMOMCAKBRGOHE-UHFFFAOYSA-N 2 0 329.466 -0.341 20 0 EBADRP CN(C)C(=O)CNC(=O)[C@H]1CCC2(C[NH+](CC3CC[NH2+]CC3)C2)O1 ZINC001277822746 817641178 /nfs/dbraw/zinc/64/11/78/817641178.db2.gz XTHUNKLSXYBJPX-CQSZACIVSA-N 2 0 338.452 -0.576 20 0 EBADRP C[NH+](C)CCN1CCO[C@H]2C[N@H+](CCCN3CC[NH+](C)CC3)C[C@H]21 ZINC001278118316 817703164 /nfs/dbraw/zinc/70/31/64/817703164.db2.gz LGJLDONTYWGFTD-MSOLQXFVSA-N 3 0 339.528 -0.430 20 0 EBADRP CN(C)C(=O)CN1C[C@@H]2CC[N@H+](CCCN3CC[NH+](C)CC3)[C@@H]2C1 ZINC001278117578 817703552 /nfs/dbraw/zinc/70/35/52/817703552.db2.gz SUAKHPOUORKPLF-DLBZAZTESA-N 2 0 337.512 -0.282 20 0 EBADRP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2CCCN1CC[NH+](C)CC1 ZINC001278118207 817703712 /nfs/dbraw/zinc/70/37/12/817703712.db2.gz HZFWTIPFPDHWBB-HDICACEKSA-N 2 0 339.528 -0.430 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CCN2C(=O)CNC2=O)C1 ZINC001278438851 817762748 /nfs/dbraw/zinc/76/27/48/817762748.db2.gz XXWVRDSZKSPKCB-INIZCTEOSA-N 2 0 339.440 -0.539 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]CCN3CCNC3=O)C2)C1 ZINC001278582174 817783288 /nfs/dbraw/zinc/78/32/88/817783288.db2.gz HJGDDANJFXZMCN-PBHICJAKSA-N 2 0 337.468 -0.209 20 0 EBADRP CN(C[C@H](O)C[NH2+]CCc1ccnn1C)C(=O)C1CC[NH+](C)CC1 ZINC001278804190 817840058 /nfs/dbraw/zinc/84/00/58/817840058.db2.gz NQRZQTFFMSIHAH-MRXNPFEDSA-N 2 0 337.468 -0.287 20 0 EBADRP O=C(NCC1CC([NH2+]CCN2CCNC2=O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001091031569 817844853 /nfs/dbraw/zinc/84/48/53/817844853.db2.gz YEWLZVUVMNMDLD-BCLQGDPASA-N 2 0 349.479 -0.162 20 0 EBADRP C[NH+](C)CCCCC(=O)NC[C@]1(O)CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC001278816374 817847461 /nfs/dbraw/zinc/84/74/61/817847461.db2.gz QRPQUXWPRVGJHM-RHSMWYFYSA-N 2 0 340.468 -0.450 20 0 EBADRP CN(C[C@H](O)C[NH2+]CCc1ccnn1C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001278827322 817854793 /nfs/dbraw/zinc/85/47/93/817854793.db2.gz LZCIYAOYWDQORN-AEFFLSMTSA-N 2 0 349.479 -0.143 20 0 EBADRP COCCOCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001279410258 817926950 /nfs/dbraw/zinc/92/69/50/817926950.db2.gz UUDCJGYEIWVNMS-HRCADAONSA-N 2 0 325.453 -0.009 20 0 EBADRP CN(C)C(=O)C[NH2+]CCOCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001279423064 817929987 /nfs/dbraw/zinc/92/99/87/817929987.db2.gz QTPXJXHDPBNADH-UHFFFAOYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC2CC([NH2+]CC(=O)N3CCOCC3)C2)C1 ZINC001091364809 817970613 /nfs/dbraw/zinc/97/06/13/817970613.db2.gz ODHIVJCZMDVTBB-SLTAFYQDSA-N 2 0 338.452 -0.719 20 0 EBADRP CCN(C)C(=O)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001279800761 817986600 /nfs/dbraw/zinc/98/66/00/817986600.db2.gz LRAGRASJBBWWTM-AWEZNQCLSA-N 2 0 328.457 -0.641 20 0 EBADRP O=C(N(CCO)CC[NH2+]CCN1CCCC1=O)C12CC[NH+](CC1)C2 ZINC001279886925 818002018 /nfs/dbraw/zinc/00/20/18/818002018.db2.gz VIHJHGFENUKBFA-UHFFFAOYSA-N 2 0 338.452 -0.885 20 0 EBADRP C[NH+](C)CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001281712048 818268775 /nfs/dbraw/zinc/26/87/75/818268775.db2.gz SUZARJXNEATNSL-ZIAGYGMSSA-N 2 0 328.457 -0.642 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CCN1C(=O)COCC[NH+](C)C ZINC001282331207 818392643 /nfs/dbraw/zinc/39/26/43/818392643.db2.gz UWHWVDGMGWYLAE-ILXRZTDVSA-N 2 0 340.468 -0.236 20 0 EBADRP CNC(=O)C[NH2+][C@@H](C)[C@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001282927700 818534275 /nfs/dbraw/zinc/53/42/75/818534275.db2.gz HCMLMMGVDKZUCH-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001283121299 818662420 /nfs/dbraw/zinc/66/24/20/818662420.db2.gz CGLPVRHIHLQTAZ-CABCVRRESA-N 2 0 340.468 -0.330 20 0 EBADRP C[C@@H](CCC[NH2+]CCN1C(=O)CCC1=O)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001283277880 818733505 /nfs/dbraw/zinc/73/35/05/818733505.db2.gz DPXZAJKCTIKWOC-KBPBESRZSA-N 2 0 338.452 -0.038 20 0 EBADRP C[N@H+](CCOCCNC(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CCNC1=O ZINC001283421069 818805584 /nfs/dbraw/zinc/80/55/84/818805584.db2.gz FYOTUGBCOBUHIB-ZIAGYGMSSA-N 2 0 326.441 -0.719 20 0 EBADRP CNC(=O)C[N@H+](CCO)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001098392425 819168112 /nfs/dbraw/zinc/16/81/12/819168112.db2.gz REGYKWURDYGCAG-UHFFFAOYSA-N 2 0 340.468 -0.498 20 0 EBADRP CNC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001098478826 819209481 /nfs/dbraw/zinc/20/94/81/819209481.db2.gz FWWVJCJUZYEOOF-UKRRQHHQSA-N 2 0 340.468 -0.785 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CCC([NH+](CCO)CCO)CC2)CC1 ZINC001098515688 819226977 /nfs/dbraw/zinc/22/69/77/819226977.db2.gz HXMHTBTVLCSNER-UHFFFAOYSA-N 2 0 343.468 -0.625 20 0 EBADRP O=C(N1CCC([NH+](CCO)CCO)CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001098548522 819239660 /nfs/dbraw/zinc/23/96/60/819239660.db2.gz VBBIKACRMPQKTB-KRWDZBQOSA-N 2 0 325.453 -0.250 20 0 EBADRP CCNC(=O)C[N@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001098560800 819244834 /nfs/dbraw/zinc/24/48/34/819244834.db2.gz BNPNVGGBGPNOIW-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP CCOCCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001284818332 819360390 /nfs/dbraw/zinc/36/03/90/819360390.db2.gz INPQYMSKPNMWHS-NFOMZHRRSA-N 2 0 340.468 -0.330 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001099538923 819478961 /nfs/dbraw/zinc/47/89/61/819478961.db2.gz WFEOEHPUUBPCFP-ZQIUZPCESA-N 2 0 347.467 -0.120 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001285881323 819805099 /nfs/dbraw/zinc/80/50/99/819805099.db2.gz VLLKSLJQEBRPSA-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[NH+](CCOCCO)C[C@H]1O ZINC001099898456 819863304 /nfs/dbraw/zinc/86/33/04/819863304.db2.gz BWONSLRGSJDKEB-ZIAGYGMSSA-N 2 0 331.457 -0.723 20 0 EBADRP CN(CCC(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O)c1cc[nH+]cc1 ZINC001099899576 819870006 /nfs/dbraw/zinc/87/00/06/819870006.db2.gz VNISVXFIZVBRGG-JKSUJKDBSA-N 2 0 336.436 -0.158 20 0 EBADRP COCCOCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099974733 819979498 /nfs/dbraw/zinc/97/94/98/819979498.db2.gz UVXIIJMKWADROB-CABCVRRESA-N 2 0 331.457 -0.457 20 0 EBADRP O=C(N[C@H]1CC[N@@H+](CCOCC(F)F)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001100073919 820165201 /nfs/dbraw/zinc/16/52/01/820165201.db2.gz HJNBYWQHFIQSIQ-STQMWFEESA-N 2 0 347.406 -0.085 20 0 EBADRP CCCCOCC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074672 820166600 /nfs/dbraw/zinc/16/66/00/820166600.db2.gz QXFWQWUTSPPYLT-HOTGVXAUSA-N 2 0 345.484 -0.067 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCOCCOC)C[C@H]1O ZINC001100082343 820180063 /nfs/dbraw/zinc/18/00/63/820180063.db2.gz ALCGBQNDRRXVHQ-LSDHHAIUSA-N 2 0 331.457 -0.457 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCc2ccnn2C)C[C@H]1O ZINC001100132038 820272493 /nfs/dbraw/zinc/27/24/93/820272493.db2.gz MFTBXVXOEFRMMI-JKSUJKDBSA-N 2 0 337.468 -0.146 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100619992 820489132 /nfs/dbraw/zinc/48/91/32/820489132.db2.gz RLNLIQDFQJBNKH-GPANFISMSA-N 2 0 345.484 -0.164 20 0 EBADRP C[NH+](C)CCC(=O)NCC1CC([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001100637026 820496358 /nfs/dbraw/zinc/49/63/58/820496358.db2.gz YCYCYPUMPMGMKN-UHFFFAOYSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+]1CCC(C(=O)NCC2CC([NH2+]CCNS(C)(=O)=O)C2)CC1 ZINC001100634969 820496515 /nfs/dbraw/zinc/49/65/15/820496515.db2.gz UXASEZBOJDAIHQ-UHFFFAOYSA-N 2 0 346.497 -0.638 20 0 EBADRP C[C@H]([NH2+]C1CC(CNC(=O)C[NH+]2CCCC2)C1)C(=O)NC(N)=O ZINC001100984769 820632430 /nfs/dbraw/zinc/63/24/30/820632430.db2.gz RBVILPZBUSKJLJ-UNXYVOJBSA-N 2 0 325.413 -0.850 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+]([C@H](C)C(=O)NC(N)=O)C[C@H]1C ZINC001102497332 821125965 /nfs/dbraw/zinc/12/59/65/821125965.db2.gz NEEWLHPXPWIYPO-JHJVBQTASA-N 2 0 341.456 -0.404 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1C ZINC001102601126 821171118 /nfs/dbraw/zinc/17/11/18/821171118.db2.gz MNHKCQLGFXOHOI-ZIAGYGMSSA-N 2 0 348.513 -0.440 20 0 EBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C[NH+]1CCCC1 ZINC001103722448 821344547 /nfs/dbraw/zinc/34/45/47/821344547.db2.gz NNTZELNJQGXLFO-CHWSQXEVSA-N 2 0 339.440 -0.649 20 0 EBADRP CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103641940 821335678 /nfs/dbraw/zinc/33/56/78/821335678.db2.gz JZMAEZGTHJVEIM-HUUCEWRRSA-N 2 0 342.484 -0.225 20 0 EBADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103643505 821336632 /nfs/dbraw/zinc/33/66/32/821336632.db2.gz MYXKSLZDFJJVDP-RBSFLKMASA-N 2 0 342.484 -0.227 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1CC[NH2+]Cc1nnnn1C ZINC001103999645 821385224 /nfs/dbraw/zinc/38/52/24/821385224.db2.gz FYBBOKLPSQFMSK-MCIONIFRSA-N 2 0 335.456 -0.122 20 0 EBADRP C[C@H](O)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001105242765 821642452 /nfs/dbraw/zinc/64/24/52/821642452.db2.gz HDNGTAUCANCIJH-LRDDRELGSA-N 2 0 348.451 -0.526 20 0 EBADRP C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)C3([NH+](C)C)CCC3)C2)nn1 ZINC001105259920 821651877 /nfs/dbraw/zinc/65/18/77/821651877.db2.gz RRHCDOKEMAKDNP-GFCCVEGCSA-N 2 0 336.440 -0.384 20 0 EBADRP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CN(C(=O)COCC[NH+](C)C)C1 ZINC001299375147 821685875 /nfs/dbraw/zinc/68/58/75/821685875.db2.gz PTDXEKDKIHFXSG-OAHLLOKOSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@@H](O)C[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105361226 821718481 /nfs/dbraw/zinc/71/84/81/821718481.db2.gz UMSLVCGXSTZIDV-OLZOCXBDSA-N 2 0 336.440 -0.526 20 0 EBADRP CC(C)[C@H]1N(C(=O)CC[NH+](C)C)C[C@]12C[C@@H](O)[C@H]([NH2+]CC(N)=O)C2 ZINC001105660443 821789403 /nfs/dbraw/zinc/78/94/03/821789403.db2.gz VDYIGBLXFIJQIO-KFZJALRRSA-N 2 0 340.468 -0.611 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001316635877 821822717 /nfs/dbraw/zinc/82/27/17/821822717.db2.gz HOXXFXATKNXEIV-XUXIUFHCSA-N 2 0 336.436 -0.382 20 0 EBADRP O=C(N1C[C@@H]2C[N@H+](CCOCCO)CC[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001316758678 821847206 /nfs/dbraw/zinc/84/72/06/821847206.db2.gz KYEKUZBUHSCLRV-CVEARBPZSA-N 2 0 337.464 -0.129 20 0 EBADRP CN(CCOCC[N@H+](C)[C@H]1CCCNC1=O)C(=O)C[NH+]1CCCC1 ZINC001316766411 821853380 /nfs/dbraw/zinc/85/33/80/821853380.db2.gz HQOBSPQSLYBYQF-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP CC(C)[C@H](C)NC(=O)C[N@H+](C)CCCNC(=O)[C@@H]1CN(C)CCO1 ZINC001316819045 821866438 /nfs/dbraw/zinc/86/64/38/821866438.db2.gz DFXUYIDNDWULLL-GJZGRUSLSA-N 2 0 342.484 -0.084 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001316828375 821871502 /nfs/dbraw/zinc/87/15/02/821871502.db2.gz CLQBANVFMFSYJE-QWHCGFSZSA-N 2 0 341.456 -0.118 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001316864715 821899102 /nfs/dbraw/zinc/89/91/02/821899102.db2.gz ANWPXYSVCDDIQM-LBPRGKRZSA-N 2 0 327.429 -0.636 20 0 EBADRP CC[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC(=O)NC(N)=O ZINC001316893329 821908076 /nfs/dbraw/zinc/90/80/76/821908076.db2.gz RDTBCTYNPUHVDO-CYBMUJFWSA-N 2 0 339.440 -0.649 20 0 EBADRP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CCN1CCNC1=O ZINC001316908804 821913532 /nfs/dbraw/zinc/91/35/32/821913532.db2.gz INVPXAVZVIRDFL-CQSZACIVSA-N 2 0 325.457 -0.209 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317062037 821990788 /nfs/dbraw/zinc/99/07/88/821990788.db2.gz UJJOFUWEYRWTPO-SOUVJXGZSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001317308921 822078158 /nfs/dbraw/zinc/07/81/58/822078158.db2.gz ZIXXWJPWFGLHPK-NEPJUHHUSA-N 2 0 327.429 -0.508 20 0 EBADRP CN(CC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001317587468 822166508 /nfs/dbraw/zinc/16/65/08/822166508.db2.gz KUBRDLZTCKDXHE-ZFWWWQNUSA-N 2 0 343.493 -0.189 20 0 EBADRP CC(C)[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1)[NH+](C)C ZINC001106281884 822240915 /nfs/dbraw/zinc/24/09/15/822240915.db2.gz JDPOIURAXDDSKS-BZPMIXESSA-N 2 0 341.456 -0.548 20 0 EBADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@H]1C[NH2+]CC(N)=O ZINC001106316107 822246004 /nfs/dbraw/zinc/24/60/04/822246004.db2.gz DBCDFPKFCWZYEC-ZIAGYGMSSA-N 2 0 340.468 -0.486 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106600241 822295158 /nfs/dbraw/zinc/29/51/58/822295158.db2.gz VSJSXIMUGPFZPI-CHWSQXEVSA-N 2 0 341.456 -0.532 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C[NH2+]CCN1CCNC1=O ZINC001106627222 822303208 /nfs/dbraw/zinc/30/32/08/822303208.db2.gz XXYYXPXOJCFAFJ-ZIAGYGMSSA-N 2 0 325.457 -0.353 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001106839391 822339895 /nfs/dbraw/zinc/33/98/95/822339895.db2.gz FOBJMXJASRYDBR-JHJVBQTASA-N 2 0 341.456 -0.404 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+][C@@H]1CCN(C)C1=O ZINC001106880843 822347045 /nfs/dbraw/zinc/34/70/45/822347045.db2.gz ONZGITIIXLVCKP-RBSFLKMASA-N 2 0 340.468 -0.521 20 0 EBADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C)C(=O)N(C)C ZINC001106880673 822347437 /nfs/dbraw/zinc/34/74/37/822347437.db2.gz OKYAXXRIGACGIB-QLFBSQMISA-N 2 0 342.484 -0.275 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001106908014 822351894 /nfs/dbraw/zinc/35/18/94/822351894.db2.gz LZDHSAQXHUOJRZ-JHJVBQTASA-N 2 0 341.456 -0.404 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001128533081 828471082 /nfs/dbraw/zinc/47/10/82/828471082.db2.gz GBDFFGUADHSFMU-QWHCGFSZSA-N 2 0 337.461 -0.193 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001128534449 828471160 /nfs/dbraw/zinc/47/11/60/828471160.db2.gz YAMVLCRAOGZBKV-ZIAGYGMSSA-N 2 0 346.447 -0.333 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]CC(=O)Nc1ccon1 ZINC001128543072 828472270 /nfs/dbraw/zinc/47/22/70/828472270.db2.gz BKBGILHAYLSWGH-LLVKDONJSA-N 2 0 329.376 -0.001 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001128774168 828524674 /nfs/dbraw/zinc/52/46/74/828524674.db2.gz NINKOIZMYVMDDS-CYBMUJFWSA-N 2 0 341.456 -0.198 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106984024 823712593 /nfs/dbraw/zinc/71/25/93/823712593.db2.gz UUCQTCWTLFGYSQ-CHWSQXEVSA-N 2 0 339.440 -0.778 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)[C@H](C)C1 ZINC001107042448 823721633 /nfs/dbraw/zinc/72/16/33/823721633.db2.gz MZHNUHJSJCMQOC-FRRDWIJNSA-N 2 0 341.456 -0.406 20 0 EBADRP CC[C@H](C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1)OC ZINC001129228105 828583362 /nfs/dbraw/zinc/58/33/62/828583362.db2.gz CKOSKQVXVXRPMA-KFWWJZLASA-N 2 0 338.456 -0.004 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129341451 828601361 /nfs/dbraw/zinc/60/13/61/828601361.db2.gz VCVBSJOYLGIEJK-ZDUSSCGKSA-N 2 0 341.456 -0.484 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129341468 828601557 /nfs/dbraw/zinc/60/15/57/828601557.db2.gz VNRASRLDGADVTN-OAHLLOKOSA-N 2 0 342.484 -0.177 20 0 EBADRP C[NH+](C)C1(C(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]2CCCO2)CCC1 ZINC001129363005 828604579 /nfs/dbraw/zinc/60/45/79/828604579.db2.gz DGTFLZBRLBIXGL-CABCVRRESA-N 2 0 343.468 -0.267 20 0 EBADRP CC(C)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364159 828605743 /nfs/dbraw/zinc/60/57/43/828605743.db2.gz QEIATCUVWJPUJL-OAHLLOKOSA-N 2 0 340.468 -0.140 20 0 EBADRP COCCOCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364040 828606096 /nfs/dbraw/zinc/60/60/96/828606096.db2.gz OFXCBVPMRCPYBW-INIZCTEOSA-N 2 0 343.468 -0.001 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H](C)OC)C[C@@H]1n1ccnn1 ZINC001129369796 828607799 /nfs/dbraw/zinc/60/77/99/828607799.db2.gz GQBAIYRZEWFKBD-KFWWJZLASA-N 2 0 338.456 -0.004 20 0 EBADRP C[NH+](C)C1(C(=O)NCC[NH2+]CCN2C(=O)NC(C)(C)C2=O)CCC1 ZINC001129380615 828608468 /nfs/dbraw/zinc/60/84/68/828608468.db2.gz KIOSLXWNVUYLGX-UHFFFAOYSA-N 2 0 339.440 -0.493 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001129421691 828615736 /nfs/dbraw/zinc/61/57/36/828615736.db2.gz BQSBYVAILMJSPN-STQMWFEESA-N 2 0 341.456 -0.201 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001129423892 828617114 /nfs/dbraw/zinc/61/71/14/828617114.db2.gz YFZDNKNVTOXNAT-ZDUSSCGKSA-N 2 0 334.486 -0.496 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]CCN1CCNC1=O ZINC001129423578 828617428 /nfs/dbraw/zinc/61/74/28/828617428.db2.gz VSAUFGYDOOGBHE-CQSZACIVSA-N 2 0 325.457 -0.020 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1)C1CC1 ZINC001129435290 828619439 /nfs/dbraw/zinc/61/94/39/828619439.db2.gz DVEAQAUBMWQYRE-DZGCQCFKSA-N 2 0 326.441 -0.672 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1)C1CC1 ZINC001129444714 828619994 /nfs/dbraw/zinc/61/99/94/828619994.db2.gz XQBLMEXPKQQDGB-JSGCOSHPSA-N 2 0 331.482 -0.143 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CC1(CS(C)(=O)=O)CC1)C1CC1 ZINC001129437354 828620040 /nfs/dbraw/zinc/62/00/40/828620040.db2.gz ZHDVGRIFIHCIFW-CYBMUJFWSA-N 2 0 331.482 -0.143 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CCO1 ZINC001129442472 828620616 /nfs/dbraw/zinc/62/06/16/828620616.db2.gz AMSXRKQBTJWNKT-IUODEOHRSA-N 2 0 326.441 -0.720 20 0 EBADRP CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129449131 828621723 /nfs/dbraw/zinc/62/17/23/828621723.db2.gz ISCGFERGHGWSHR-INIZCTEOSA-N 2 0 342.484 -0.036 20 0 EBADRP Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)C[N@H+](C)C3CCC3)C2=O)n1 ZINC001129534895 828632301 /nfs/dbraw/zinc/63/23/01/828632301.db2.gz CMZJLPQFZZNUSS-AWEZNQCLSA-N 2 0 348.451 -0.285 20 0 EBADRP COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129532142 828631048 /nfs/dbraw/zinc/63/10/48/828631048.db2.gz SBHMTHVAAGTYHA-UKRRQHHQSA-N 2 0 331.457 -0.411 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001108799991 824438974 /nfs/dbraw/zinc/43/89/74/824438974.db2.gz WSYXIPOKPVUIMX-AVGNSLFASA-N 2 0 349.435 -0.754 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001129849744 828681712 /nfs/dbraw/zinc/68/17/12/828681712.db2.gz SQLLUULEYVYGDP-OAHLLOKOSA-N 2 0 340.468 -0.138 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001129842111 828680162 /nfs/dbraw/zinc/68/01/62/828680162.db2.gz UDZLFPWEKRIOFX-CYBMUJFWSA-N 2 0 339.440 -0.492 20 0 EBADRP CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)[NH+](C)C ZINC001129899914 828690809 /nfs/dbraw/zinc/69/08/09/828690809.db2.gz RUQIHMYTGBGUNM-ILXRZTDVSA-N 2 0 338.456 -0.412 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1 ZINC001110979882 824825866 /nfs/dbraw/zinc/82/58/66/824825866.db2.gz HIZVCCBJXFDPSP-FPCVCCKLSA-N 2 0 335.452 -0.083 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CC(=O)NC1CCOCC1)[NH+](C)C ZINC001129947027 828698782 /nfs/dbraw/zinc/69/87/82/828698782.db2.gz GNNJGJZCGFEPAQ-HNNXBMFYSA-N 2 0 328.457 -0.426 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947421 828698871 /nfs/dbraw/zinc/69/88/71/828698871.db2.gz ZABXLCQICPQSQW-ZDUSSCGKSA-N 2 0 329.445 -0.486 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001179585406 832990612 /nfs/dbraw/zinc/99/06/12/832990612.db2.gz GWDYJTPWZXFYHP-CYBMUJFWSA-N 2 0 341.456 -0.211 20 0 EBADRP C[NH+](C)CC1(C(=O)N2C[C@@H]([NH2+]CCCO)[C@@H](n3ccnn3)C2)CC1 ZINC001129982746 828707088 /nfs/dbraw/zinc/70/70/88/828707088.db2.gz JCBTUNMIJHUUNP-KGLIPLIRSA-N 2 0 336.440 -0.656 20 0 EBADRP C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992249 828709003 /nfs/dbraw/zinc/70/90/03/828709003.db2.gz UVLOASYXONPYBT-KFWWJZLASA-N 2 0 338.456 -0.268 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCOCC)[C@@H](n2ccnn2)C1 ZINC001130106952 828732420 /nfs/dbraw/zinc/73/24/20/828732420.db2.gz BAKYAXFWRIAMJS-CABCVRRESA-N 2 0 338.456 -0.002 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]C[C@H](C)OC)[C@@H](n2ccnn2)C1 ZINC001130107650 828732814 /nfs/dbraw/zinc/73/28/14/828732814.db2.gz TZTPSPVXFYKLEO-ZNMIVQPWSA-N 2 0 338.456 -0.004 20 0 EBADRP CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122942 828736441 /nfs/dbraw/zinc/73/64/41/828736441.db2.gz COODIVMVOZWCQK-KFWWJZLASA-N 2 0 336.440 -0.392 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001130173874 828745271 /nfs/dbraw/zinc/74/52/71/828745271.db2.gz SAZMJPKWPPULSV-LBPRGKRZSA-N 2 0 339.440 -0.588 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130186479 828750749 /nfs/dbraw/zinc/75/07/49/828750749.db2.gz HMKSCBYGKJMQSB-GJZGRUSLSA-N 2 0 340.468 -0.138 20 0 EBADRP O=C(NCC[NH2+]CCN1C(=O)CCC1=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130190157 828751687 /nfs/dbraw/zinc/75/16/87/828751687.db2.gz WPEVFQGYXPYLHJ-UONOGXRCSA-N 2 0 336.436 -0.142 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)[NH+](C)C ZINC001130205059 828755184 /nfs/dbraw/zinc/75/51/84/828755184.db2.gz FPBICTRWJRWFIS-ZIAGYGMSSA-N 2 0 336.440 -0.429 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+]CC(=O)Nc1nnc(C)s1)[NH+](C)C ZINC001130203626 828755510 /nfs/dbraw/zinc/75/55/10/828755510.db2.gz RBUSPMHTRNNBDD-SNVBAGLBSA-N 2 0 328.442 -0.169 20 0 EBADRP CCCCNC(=O)C[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130230738 828761262 /nfs/dbraw/zinc/76/12/62/828761262.db2.gz UBFSRNPWUOFGJA-UHFFFAOYSA-N 2 0 342.484 -0.033 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001130230000 828761297 /nfs/dbraw/zinc/76/12/97/828761297.db2.gz CJJHYWAPPBAXRP-UHFFFAOYSA-N 2 0 326.441 -0.717 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111937960 825348666 /nfs/dbraw/zinc/34/86/66/825348666.db2.gz DUKVLONMEABDFU-ZOBUZTSGSA-N 2 0 343.468 -0.457 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCOCCO)C3)C1 ZINC001111983512 825367288 /nfs/dbraw/zinc/36/72/88/825367288.db2.gz LOLGXCAWEUARKI-VYDXJSESSA-N 2 0 325.453 -0.082 20 0 EBADRP COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112160113 825394980 /nfs/dbraw/zinc/39/49/80/825394980.db2.gz SNHHNDJEGSOUDF-QJPTWQEYSA-N 2 0 341.374 -0.076 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130303858 828778172 /nfs/dbraw/zinc/77/81/72/828778172.db2.gz MLLCTYKTXLALKZ-CYBMUJFWSA-N 2 0 334.486 -0.542 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001130427100 828830841 /nfs/dbraw/zinc/83/08/41/828830841.db2.gz IYUKXZUCFHMXHO-CQSZACIVSA-N 2 0 345.484 -0.021 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001179744575 833006929 /nfs/dbraw/zinc/00/69/29/833006929.db2.gz WSUMEODGNSSQCI-SRVKXCTJSA-N 2 0 327.429 -0.509 20 0 EBADRP C[N@H+](CC(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](O)Cn3cccn3)C[C@H]21)C1CCC1 ZINC001114415984 826240254 /nfs/dbraw/zinc/24/02/54/826240254.db2.gz FRFVNDZREXDONY-LISAXSMJSA-N 2 0 347.463 -0.225 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+](CCC1)C2 ZINC001114456091 826255146 /nfs/dbraw/zinc/25/51/46/826255146.db2.gz OKONAKZSNIKDGI-WCVJEAGWSA-N 2 0 337.464 -0.084 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCS(C)(=O)=O)CCN1C(=O)COCC[NH+](C)C ZINC001179934356 833027595 /nfs/dbraw/zinc/02/75/95/833027595.db2.gz ZOMGJPQUOZSMGB-STQMWFEESA-N 2 0 335.470 -0.812 20 0 EBADRP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001114467486 826257457 /nfs/dbraw/zinc/25/74/57/826257457.db2.gz ZIBBPSHWNFQIHO-BYNSBNAKSA-N 2 0 325.453 -0.228 20 0 EBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C)C(=O)N(C)C ZINC001179934270 833028241 /nfs/dbraw/zinc/02/82/41/833028241.db2.gz WXOYJYWAOWDRPV-IHRRRGAJSA-N 2 0 328.457 -0.380 20 0 EBADRP CN(CCC(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21)c1cc[nH+]cc1 ZINC001114496702 826265645 /nfs/dbraw/zinc/26/56/45/826265645.db2.gz QYBRTTVRJALKLY-VQFNDLOPSA-N 2 0 348.447 -0.037 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1ccnc1 ZINC001114651555 826310277 /nfs/dbraw/zinc/31/02/77/826310277.db2.gz BOZMIEYXFLMGEF-NMKXLXIOSA-N 2 0 348.407 -0.836 20 0 EBADRP COCCOC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750926 826332543 /nfs/dbraw/zinc/33/25/43/826332543.db2.gz QZTNGKHWIODWGU-LJIGWXMPSA-N 2 0 343.468 -0.602 20 0 EBADRP COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114772834 826339319 /nfs/dbraw/zinc/33/93/19/826339319.db2.gz UAIMLWMEYPEDRU-NYTXWWLZSA-N 2 0 340.468 -0.474 20 0 EBADRP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]21)[NH+](C)C ZINC001114853593 826356411 /nfs/dbraw/zinc/35/64/11/826356411.db2.gz FRIBWMGEWIOTKX-RSUWNVLCSA-N 2 0 336.436 -0.478 20 0 EBADRP CN(C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C)C1CC1 ZINC001115118769 826425952 /nfs/dbraw/zinc/42/59/52/826425952.db2.gz LPPYREIDWCKCGW-HALDLXJZSA-N 2 0 338.452 -0.768 20 0 EBADRP CCN(CC)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115120884 826427123 /nfs/dbraw/zinc/42/71/23/826427123.db2.gz HKAKEOGZHMPAIP-FOLVSLTJSA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001180204460 833055698 /nfs/dbraw/zinc/05/56/98/833055698.db2.gz SWDJRBQOHVBUOR-STQMWFEESA-N 2 0 339.440 -0.364 20 0 EBADRP CCN(C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(CC)CCO1 ZINC001115269747 826490251 /nfs/dbraw/zinc/49/02/51/826490251.db2.gz MLAPHDCQEKWHDL-KNCOVGOOSA-N 2 0 338.452 -0.768 20 0 EBADRP CNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001180278433 833069135 /nfs/dbraw/zinc/06/91/35/833069135.db2.gz FCRAKRCZVGNDKF-HNNXBMFYSA-N 2 0 342.484 -0.033 20 0 EBADRP NC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CCCCC1 ZINC001115546198 826556096 /nfs/dbraw/zinc/55/60/96/826556096.db2.gz GYNDJHOSIICDNX-ZIAGYGMSSA-N 2 0 338.452 -0.256 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCCCC1 ZINC001115806327 826588767 /nfs/dbraw/zinc/58/87/67/826588767.db2.gz SWZDWHUYNMOTCV-UHFFFAOYSA-N 2 0 341.456 -0.068 20 0 EBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC001117359150 826729039 /nfs/dbraw/zinc/72/90/39/826729039.db2.gz GWQHFKRUTIOLNA-QLFBSQMISA-N 2 0 339.484 -0.853 20 0 EBADRP C[NH+]1CCC(CO)(NC(=O)CC[NH+]2CCC(C(N)=O)CC2)CC1 ZINC001180612546 833096911 /nfs/dbraw/zinc/09/69/11/833096911.db2.gz YMDQFJXYKFDWTB-UHFFFAOYSA-N 2 0 326.441 -0.853 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)n1 ZINC001118312663 826905895 /nfs/dbraw/zinc/90/58/95/826905895.db2.gz JLWQDWIHGOJICT-BETUJISGSA-N 2 0 336.440 -0.160 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@]2(COC)CC[NH2+]C2)CC1 ZINC001118506601 826943534 /nfs/dbraw/zinc/94/35/34/826943534.db2.gz POYNVIZAGPNCGY-KRWDZBQOSA-N 2 0 340.468 -0.281 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)C1CC1 ZINC001119354729 827100928 /nfs/dbraw/zinc/10/09/28/827100928.db2.gz LRFLBLKAZAKKLA-MWLCHTKSSA-N 2 0 336.358 -0.208 20 0 EBADRP CN(C)c1cc[nH+]c(CNC(=O)C(=O)NCCOCC[NH+](C)C)c1 ZINC001119766325 827141915 /nfs/dbraw/zinc/14/19/15/827141915.db2.gz RXXZQBXHAIDKTQ-UHFFFAOYSA-N 2 0 337.424 -0.542 20 0 EBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)C[C@@H]2C1 ZINC001120371895 827199806 /nfs/dbraw/zinc/19/98/06/827199806.db2.gz UFNSNBFHXGOBQT-BARDWOONSA-N 2 0 338.452 -0.639 20 0 EBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)C[C@@H]2C1 ZINC001120434952 827220166 /nfs/dbraw/zinc/22/01/66/827220166.db2.gz VBUNUSQXTGNMDQ-BARDWOONSA-N 2 0 338.452 -0.720 20 0 EBADRP CC[NH+]1CCN(CCC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001120570588 827246037 /nfs/dbraw/zinc/24/60/37/827246037.db2.gz ULIALNKIPVLVQA-KRWDZBQOSA-N 3 0 327.517 -0.788 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCc2cccnc2)C1 ZINC001181652817 833170748 /nfs/dbraw/zinc/17/07/48/833170748.db2.gz QSTIZDOGGRYROA-HZPDHXFCSA-N 2 0 345.447 -0.018 20 0 EBADRP CC(C)NC(=O)NCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001181652780 833171153 /nfs/dbraw/zinc/17/11/53/833171153.db2.gz PNHJKUYGLQQVPE-ZIAGYGMSSA-N 2 0 325.457 -0.021 20 0 EBADRP C[NH+](C)CCC(=O)NC1CC2(C1)CC([NH2+][C@@H]1CCC(=O)NC1=O)C2 ZINC001121703395 827428746 /nfs/dbraw/zinc/42/87/46/827428746.db2.gz RNJZCAKVALIZDC-NMTWWBQDSA-N 2 0 336.436 -0.240 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2CC3(C2)CC([NH2+]CCS(C)(=O)=O)C3)C1 ZINC001122178011 827537992 /nfs/dbraw/zinc/53/79/92/827537992.db2.gz RNLXMLQMEGBYPA-BAYAOMGESA-N 2 0 343.493 0.000 20 0 EBADRP C[C@@H]([NH2+]C[C@]1(C)CN(C(=O)CC[NH+](C)C)C[C@H]1C)C(=O)NC(N)=O ZINC001182486499 833236940 /nfs/dbraw/zinc/23/69/40/833236940.db2.gz PCDGAUBTYCOZFO-XHBSWPGZSA-N 2 0 341.456 -0.404 20 0 EBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC001123548904 827715137 /nfs/dbraw/zinc/71/51/37/827715137.db2.gz CXJXYVIWFJVRGN-RBSFLKMASA-N 2 0 337.468 -0.922 20 0 EBADRP Cn1cc(N2CCC[C@@H]([NH2+]CCNC(=O)[C@@H]3CCC[N@@H+]3C)C2=O)cn1 ZINC001124867134 827969177 /nfs/dbraw/zinc/96/91/77/827969177.db2.gz SIWLKZPCEQFVMX-CABCVRRESA-N 2 0 348.451 -0.285 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC001124873557 827972366 /nfs/dbraw/zinc/97/23/66/827972366.db2.gz YBWPMWMQFOWFJI-CYBMUJFWSA-N 2 0 339.440 -0.445 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001124878851 827973072 /nfs/dbraw/zinc/97/30/72/827973072.db2.gz PVSJZGXGYBOIMZ-LSDHHAIUSA-N 2 0 338.452 -0.576 20 0 EBADRP CN(C(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C)c1nccs1 ZINC001124879811 827973841 /nfs/dbraw/zinc/97/38/41/827973841.db2.gz ZUXOFAZXTGHVQR-NSHDSACASA-N 2 0 325.438 -0.094 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@]1(C)C[NH2+]CC(=O)NC(N)=O ZINC001183409753 833289678 /nfs/dbraw/zinc/28/96/78/833289678.db2.gz IBESFPTWGAXNQE-XHBSWPGZSA-N 2 0 339.440 -0.793 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001183288322 833285656 /nfs/dbraw/zinc/28/56/56/833285656.db2.gz DCWQZXGHZKRKGD-GFCCVEGCSA-N 2 0 339.440 -0.493 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001183581855 833296185 /nfs/dbraw/zinc/29/61/85/833296185.db2.gz MVVMYEGQVOFNBO-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1)[NH+](C)C ZINC001183592221 833296250 /nfs/dbraw/zinc/29/62/50/833296250.db2.gz OTIMYZJTUBGBTP-QJPTWQEYSA-N 2 0 327.429 -0.639 20 0 EBADRP Cc1c(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)ccc2c[nH+]cn21 ZINC001183845600 833308733 /nfs/dbraw/zinc/30/87/33/833308733.db2.gz QQWLHLLGONDWDP-LLVKDONJSA-N 2 0 344.375 -0.358 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001127065720 828246782 /nfs/dbraw/zinc/24/67/82/828246782.db2.gz DKIZWMGIUBGJAA-AWEZNQCLSA-N 2 0 326.441 -0.576 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127257195 828270250 /nfs/dbraw/zinc/27/02/50/828270250.db2.gz WGYPUHXWGNZQTM-CHWSQXEVSA-N 2 0 339.440 -0.588 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)Nc1ncccn1 ZINC001127474309 828296938 /nfs/dbraw/zinc/29/69/38/828296938.db2.gz KYMYERZZJBBSAY-GXTWGEPZSA-N 2 0 346.435 -0.149 20 0 EBADRP CN1CCC[C@@H]([NH2+]CCNC(=O)c2ccn(CC[NH+](C)C)n2)C1=O ZINC001127558909 828302516 /nfs/dbraw/zinc/30/25/16/828302516.db2.gz VFAAKSLBOMUQGM-CQSZACIVSA-N 2 0 336.440 -0.615 20 0 EBADRP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127575747 828303798 /nfs/dbraw/zinc/30/37/98/828303798.db2.gz AMOXOXYNWYOYMP-ZDUSSCGKSA-N 2 0 338.456 -0.321 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)N2CCO[C@@H](C)C2)CC[N@@H+]1C ZINC001127701504 828317099 /nfs/dbraw/zinc/31/70/99/828317099.db2.gz QWEOFFSASGGIRD-SOUVJXGZSA-N 2 0 340.468 -0.330 20 0 EBADRP COc1cncc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001127785769 828329507 /nfs/dbraw/zinc/32/95/07/828329507.db2.gz PVJMMDZVDDWVSK-ZIAGYGMSSA-N 2 0 335.408 -0.446 20 0 EBADRP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001184424809 833329932 /nfs/dbraw/zinc/32/99/32/833329932.db2.gz MRJMGZKEJDLFOM-GYMHETDLSA-N 2 0 339.436 -0.951 20 0 EBADRP Cc1c(C(=O)NCC[NH2+]CC(=O)N2CCOCC2)ccc2c[nH+]cn21 ZINC001130656177 828907436 /nfs/dbraw/zinc/90/74/36/828907436.db2.gz KZFNODWOIBKDOT-UHFFFAOYSA-N 2 0 345.403 -0.179 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001130709179 828920097 /nfs/dbraw/zinc/92/00/97/828920097.db2.gz WJGDORAWSNMMTM-QWHCGFSZSA-N 2 0 341.456 -0.343 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130805678 828943347 /nfs/dbraw/zinc/94/33/47/828943347.db2.gz IDJYLWTVTTZUCN-UHFFFAOYSA-N 2 0 326.441 -0.527 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130805905 828944548 /nfs/dbraw/zinc/94/45/48/828944548.db2.gz SONAHQGQWVUILT-LBPRGKRZSA-N 2 0 339.440 -0.445 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130810173 828944934 /nfs/dbraw/zinc/94/49/34/828944934.db2.gz OUUBPKVDNOCRHA-UHFFFAOYSA-N 2 0 346.497 -0.398 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130867435 828983349 /nfs/dbraw/zinc/98/33/49/828983349.db2.gz DPLGMJQVZDIJNH-UHFFFAOYSA-N 2 0 346.391 -0.111 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130874897 828985372 /nfs/dbraw/zinc/98/53/72/828985372.db2.gz SKGATIQFUHKGLQ-HNNXBMFYSA-N 2 0 336.392 -0.322 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001184877577 833342381 /nfs/dbraw/zinc/34/23/81/833342381.db2.gz UJJOFUWEYRWTPO-RRFJBIMHSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001185168754 833349008 /nfs/dbraw/zinc/34/90/08/833349008.db2.gz WWBVXQRECLNHLB-MELADBBJSA-N 2 0 346.497 -0.544 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(=O)NC(N)=O ZINC001185212733 833350351 /nfs/dbraw/zinc/35/03/51/833350351.db2.gz AKBSWMUGDYVSTF-WDEREUQCSA-N 2 0 325.413 -0.898 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)C(=O)NC(N)=O ZINC001211093394 837386438 /nfs/dbraw/zinc/38/64/38/837386438.db2.gz WXCFQLTUMFGKOX-NEPJUHHUSA-N 2 0 325.413 -0.754 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185238827 833351085 /nfs/dbraw/zinc/35/10/85/833351085.db2.gz TZIINYLDKYHBJE-QWHCGFSZSA-N 2 0 341.456 -0.247 20 0 EBADRP CN1CC[C@H]([NH2+]CCNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1=O ZINC001131196825 829069411 /nfs/dbraw/zinc/06/94/11/829069411.db2.gz ZRPCSMJAQSVDEP-AWEZNQCLSA-N 2 0 328.376 -0.183 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185400583 833357872 /nfs/dbraw/zinc/35/78/72/833357872.db2.gz DJKXQWZLNDJGHY-CYBMUJFWSA-N 2 0 339.440 -0.636 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)c2ccc3c[nH+]cn3c2)CCO1 ZINC001131374933 829118593 /nfs/dbraw/zinc/11/85/93/829118593.db2.gz OMVOKBQDRUYSML-CYBMUJFWSA-N 2 0 345.403 -0.099 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001185742516 833369113 /nfs/dbraw/zinc/36/91/13/833369113.db2.gz MGIPAZMXGCEVID-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC001185750699 833369643 /nfs/dbraw/zinc/36/96/43/833369643.db2.gz MBWYSKHWRGIEIK-QWHCGFSZSA-N 2 0 341.456 -0.404 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@]2(CC[N@H+](CCO)C2)O1 ZINC001131694096 829188821 /nfs/dbraw/zinc/18/88/21/829188821.db2.gz UHCIRBJYCKYTJL-GDBMZVCRSA-N 2 0 329.441 -0.751 20 0 EBADRP NC(=[NH2+])N(CCCC[NH3+])C(=O)Cn1cnc2c1nc(N)nc2Cl ZINC001185906040 833376437 /nfs/dbraw/zinc/37/64/37/833376437.db2.gz XPHTYAIWBPIOGU-UHFFFAOYSA-N 2 0 339.791 -0.477 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790823 829217652 /nfs/dbraw/zinc/21/76/52/829217652.db2.gz WMXAHCZQEDIVEL-CYBMUJFWSA-N 2 0 332.470 -0.884 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790564 829217908 /nfs/dbraw/zinc/21/79/08/829217908.db2.gz PIWMTDYODRVTIU-CQSZACIVSA-N 2 0 346.497 -0.494 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790517 829218341 /nfs/dbraw/zinc/21/83/41/829218341.db2.gz OTSOSGUHOBAJSO-INIZCTEOSA-N 2 0 340.468 -0.281 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186311940 833396436 /nfs/dbraw/zinc/39/64/36/833396436.db2.gz XVNCBEOXOZNGTK-ZIAGYGMSSA-N 2 0 338.452 -0.589 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2 ZINC001186544755 833405383 /nfs/dbraw/zinc/40/53/83/833405383.db2.gz GXWMUJONCBOVBD-AWEZNQCLSA-N 2 0 340.468 -0.342 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C[NH2+]CC(N)=O)C3(C2)CCOCC3)C1 ZINC001186552699 833405616 /nfs/dbraw/zinc/40/56/16/833405616.db2.gz KGSRQBLWBGXWFL-UONOGXRCSA-N 2 0 338.452 -0.732 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001132736878 829511460 /nfs/dbraw/zinc/51/14/60/829511460.db2.gz FFROBGWWHDBQKM-HNNXBMFYSA-N 2 0 340.468 -0.327 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NCC)C1 ZINC001132738286 829511623 /nfs/dbraw/zinc/51/16/23/829511623.db2.gz YLNSISHPAYFNMK-CYBMUJFWSA-N 2 0 341.456 -0.340 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+]CC(=O)NCCCOC)C1 ZINC001132737670 829511764 /nfs/dbraw/zinc/51/17/64/829511764.db2.gz OPLTXUWQUXKCKN-OAHLLOKOSA-N 2 0 342.484 -0.033 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001132738436 829511870 /nfs/dbraw/zinc/51/18/70/829511870.db2.gz CTKOHEOQZPGZQJ-QWHCGFSZSA-N 2 0 341.456 -0.342 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132790077 829523707 /nfs/dbraw/zinc/52/37/07/829523707.db2.gz BYEZLYCUSCCSJY-ZDUSSCGKSA-N 2 0 339.440 -0.316 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+][C@H]2CCCN(C)C2=O)C1 ZINC001132848343 829534699 /nfs/dbraw/zinc/53/46/99/829534699.db2.gz FZQLTHXUNYVBPH-KBPBESRZSA-N 2 0 326.441 -0.578 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NCC(C)(C)C)C1 ZINC001132849027 829534894 /nfs/dbraw/zinc/53/48/94/829534894.db2.gz ZEXUPTWZTUKKCO-CQSZACIVSA-N 2 0 342.484 -0.036 20 0 EBADRP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132858707 829539184 /nfs/dbraw/zinc/53/91/84/829539184.db2.gz GBAVRBDUXZYXME-KBPBESRZSA-N 2 0 328.457 -0.284 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CCN2CCCS2(=O)=O)CC[N@@H+]1C ZINC001132886811 829544399 /nfs/dbraw/zinc/54/43/99/829544399.db2.gz UKUNBAKGBXAWET-KBPBESRZSA-N 2 0 346.497 -0.542 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132893594 829546094 /nfs/dbraw/zinc/54/60/94/829546094.db2.gz UCGZJGXVVYPWIL-ZNMIVQPWSA-N 2 0 342.484 -0.036 20 0 EBADRP C[NH+](C)Cc1ccoc1C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001132984028 829566980 /nfs/dbraw/zinc/56/69/80/829566980.db2.gz VPZDISCQSKPYGX-UHFFFAOYSA-N 2 0 338.408 -0.481 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]C[C@@H](O)COC2CCOCC2)CC1 ZINC001132995565 829568705 /nfs/dbraw/zinc/56/87/05/829568705.db2.gz YLERGTKYIHUDEM-CQSZACIVSA-N 2 0 343.468 -0.410 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC001132995056 829568730 /nfs/dbraw/zinc/56/87/30/829568730.db2.gz KFRQPSSBYGBBHE-GJZGRUSLSA-N 2 0 343.468 -0.410 20 0 EBADRP COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132994751 829568790 /nfs/dbraw/zinc/56/87/90/829568790.db2.gz ALWVJCGUPKEYIL-ZIAGYGMSSA-N 2 0 331.457 -0.554 20 0 EBADRP Cn1ccc(N2CC[C@H]([NH2+]CCNC(=O)CCC[NH+](C)C)C2=O)n1 ZINC001133051204 829577460 /nfs/dbraw/zinc/57/74/60/829577460.db2.gz AQWPNMRZCRRJQA-ZDUSSCGKSA-N 2 0 336.440 -0.427 20 0 EBADRP C[C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001133092096 829582245 /nfs/dbraw/zinc/58/22/45/829582245.db2.gz YQHAQPPPFGMJNE-OLZOCXBDSA-N 2 0 338.456 -0.366 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001186807702 833428840 /nfs/dbraw/zinc/42/88/40/833428840.db2.gz CXJSDPKNJFABMU-CHWSQXEVSA-N 2 0 341.456 -0.247 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001133275692 829614534 /nfs/dbraw/zinc/61/45/34/829614534.db2.gz WGKOUHCISOPLNX-CHWSQXEVSA-N 2 0 341.456 -0.403 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133415719 829630037 /nfs/dbraw/zinc/63/00/37/829630037.db2.gz LKLASUJYWHCEFV-VXGBXAGGSA-N 2 0 329.445 -0.487 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001133685356 829662142 /nfs/dbraw/zinc/66/21/42/829662142.db2.gz ULGHQOGQLBDHRN-CQSZACIVSA-N 2 0 330.473 -0.035 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]CC(=O)Nc1nncs1 ZINC001133819641 829680154 /nfs/dbraw/zinc/68/01/54/829680154.db2.gz KALLCANZWZONGT-JTQLQIEISA-N 2 0 326.426 -0.333 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001133845635 829685440 /nfs/dbraw/zinc/68/54/40/829685440.db2.gz KHJXRZKCWLWVBO-NSHDSACASA-N 2 0 325.413 -0.978 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001133846351 829685777 /nfs/dbraw/zinc/68/57/77/829685777.db2.gz ZGLQBBCXGXCKRW-KGLIPLIRSA-N 2 0 326.441 -0.671 20 0 EBADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001133849643 829686659 /nfs/dbraw/zinc/68/66/59/829686659.db2.gz BDRSXRULAQDBOX-AWEZNQCLSA-N 2 0 331.392 -0.900 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC(=O)Nc1nccs1 ZINC001133866074 829689161 /nfs/dbraw/zinc/68/91/61/829689161.db2.gz HGSIXSAMVQZKMO-MNOVXSKESA-N 2 0 325.438 -0.015 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133864231 829690025 /nfs/dbraw/zinc/69/00/25/829690025.db2.gz XJPXZFPNHNVWEU-OLZOCXBDSA-N 2 0 341.456 -0.628 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]CC(=O)NCc1cccnc1 ZINC001133866904 829690063 /nfs/dbraw/zinc/69/00/63/829690063.db2.gz PUDGSBFKZZWSOI-DZGCQCFKSA-N 2 0 333.436 -0.399 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133864233 829690091 /nfs/dbraw/zinc/69/00/91/829690091.db2.gz XJPXZFPNHNVWEU-STQMWFEESA-N 2 0 341.456 -0.628 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133869310 829690937 /nfs/dbraw/zinc/69/09/37/829690937.db2.gz DBXDFWMBANHZOA-OLZOCXBDSA-N 2 0 334.486 -0.781 20 0 EBADRP CC1(C)CC[N@H+](CC(=O)NCC[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001133893491 829695523 /nfs/dbraw/zinc/69/55/23/829695523.db2.gz GRZRJYZFPNOFNI-UHFFFAOYSA-N 2 0 346.497 -0.540 20 0 EBADRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)[NH+](C)C ZINC001133965894 829708184 /nfs/dbraw/zinc/70/81/84/829708184.db2.gz OKXXWFIESBEDIY-NSHDSACASA-N 2 0 329.445 -0.343 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)C(=O)NC(N)=O ZINC001211093395 837387994 /nfs/dbraw/zinc/38/79/94/837387994.db2.gz WXCFQLTUMFGKOX-NWDGAFQWSA-N 2 0 325.413 -0.754 20 0 EBADRP CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001134737069 829836581 /nfs/dbraw/zinc/83/65/81/829836581.db2.gz NHHGHDANWWBCTL-UONOGXRCSA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)[NH+]1CCCCCC1 ZINC001134759549 829840079 /nfs/dbraw/zinc/84/00/79/829840079.db2.gz SMGIUNGFZORQGJ-NWDGAFQWSA-N 2 0 327.429 -0.460 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001134768843 829843004 /nfs/dbraw/zinc/84/30/04/829843004.db2.gz GRWHSFGXAYFMEM-RYUDHWBXSA-N 2 0 327.429 -0.462 20 0 EBADRP C[NH+]1CCC(CC(=O)NCC[NH2+]CC(=O)Nc2nncs2)CC1 ZINC001134780606 829844662 /nfs/dbraw/zinc/84/46/62/829844662.db2.gz NTEMNNHQWDCEEL-UHFFFAOYSA-N 2 0 340.453 -0.086 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780766 829844672 /nfs/dbraw/zinc/84/46/72/829844672.db2.gz VSAXMJTZKSCZNJ-HNNXBMFYSA-N 2 0 331.457 -0.552 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135314757 829943861 /nfs/dbraw/zinc/94/38/61/829943861.db2.gz GQWGWBCKKIYVNS-RYUDHWBXSA-N 2 0 329.445 -0.343 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135370814 829955383 /nfs/dbraw/zinc/95/53/83/829955383.db2.gz BDCLBVMRQAPSGE-KBPBESRZSA-N 2 0 330.473 -0.036 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135390568 829960339 /nfs/dbraw/zinc/96/03/39/829960339.db2.gz LFFLQNGRRDIHCQ-RYUDHWBXSA-N 2 0 341.456 -0.343 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+]CC(=O)NCCCOC(C)C ZINC001135513286 829980121 /nfs/dbraw/zinc/98/01/21/829980121.db2.gz KXVRUWUNJHKBFE-UHFFFAOYSA-N 2 0 330.473 -0.035 20 0 EBADRP CCCNC(=O)CN(C)C(=O)C[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135513775 829980193 /nfs/dbraw/zinc/98/01/93/829980193.db2.gz YLNDMKWRIZJGCO-UHFFFAOYSA-N 2 0 343.472 -0.981 20 0 EBADRP CC1CC[NH+](CC(=O)NCC[NH2+]CC(=O)Nc2cnccn2)CC1 ZINC001135706809 830014292 /nfs/dbraw/zinc/01/42/92/830014292.db2.gz GMSNDLJABVPYKA-UHFFFAOYSA-N 2 0 334.424 -0.147 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001135744162 830018683 /nfs/dbraw/zinc/01/86/83/830018683.db2.gz XATKWROGWOZOCL-VXGBXAGGSA-N 2 0 329.445 -0.343 20 0 EBADRP CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001135804981 830028750 /nfs/dbraw/zinc/02/87/50/830028750.db2.gz SFCKFPKIOODZMF-OLZOCXBDSA-N 2 0 328.457 -0.284 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001135861409 830035646 /nfs/dbraw/zinc/03/56/46/830035646.db2.gz QJZCSCWZPJNTJT-VXGBXAGGSA-N 2 0 329.445 -0.343 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CCN1CCNC1=O)NC(=O)COCC[NH+](C)C ZINC001135922720 830046872 /nfs/dbraw/zinc/04/68/72/830046872.db2.gz AFCUVNBFADJHOB-ZIAGYGMSSA-N 2 0 343.472 -0.537 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]Cc1cnn(C)n1)NC(=O)COCC[NH+](C)C ZINC001135924065 830047409 /nfs/dbraw/zinc/04/74/09/830047409.db2.gz POXOLABMQTUHLZ-CHWSQXEVSA-N 2 0 326.445 -0.234 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001135939194 830048463 /nfs/dbraw/zinc/04/84/63/830048463.db2.gz VZBPSHBQKXWYPP-GHMZBOCLSA-N 2 0 325.413 -0.850 20 0 EBADRP CC(C)NC(=O)NCC[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135958770 830051415 /nfs/dbraw/zinc/05/14/15/830051415.db2.gz FJHWIGIKJFIACD-UHFFFAOYSA-N 2 0 343.472 -0.489 20 0 EBADRP COc1ccc(C[NH2+]CCNC(=O)COC2CC[NH+](C)CC2)nn1 ZINC001135959314 830051692 /nfs/dbraw/zinc/05/16/92/830051692.db2.gz NQPVVYYHOIPWGW-UHFFFAOYSA-N 2 0 337.424 -0.198 20 0 EBADRP Cc1nc(C)n(CC[NH2+]CCNC(=O)COC2CC[NH+](C)CC2)n1 ZINC001135958812 830051923 /nfs/dbraw/zinc/05/19/23/830051923.db2.gz FRAKLQUXIICCDG-UHFFFAOYSA-N 2 0 338.456 -0.288 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211268921 837420039 /nfs/dbraw/zinc/42/00/39/837420039.db2.gz LYGQRYXGNGQQIV-GFCCVEGCSA-N 2 0 327.429 -0.637 20 0 EBADRP CN(CC(=O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1)C(N)=[NH2+] ZINC001144130578 830158587 /nfs/dbraw/zinc/15/85/87/830158587.db2.gz NSVXURUBPCIRDG-UHFFFAOYSA-N 2 0 333.440 -0.311 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCCC1)[NH2+]CCN1CCNC1=O ZINC001146396940 830195727 /nfs/dbraw/zinc/19/57/27/830195727.db2.gz CBXYMZHVDKJNBJ-KGLIPLIRSA-N 2 0 325.457 -0.020 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146383864 830195955 /nfs/dbraw/zinc/19/59/55/830195955.db2.gz KBLZQXBUDXOGDT-UHFFFAOYSA-N 2 0 327.429 -0.732 20 0 EBADRP C[C@@H](C[C@H](C)[NH2+]CCNS(C)(=O)=O)NC(=O)C[NH+]1CCCC1 ZINC001146409177 830197395 /nfs/dbraw/zinc/19/73/95/830197395.db2.gz VGCYMYYKZJBUJY-STQMWFEESA-N 2 0 334.486 -0.496 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)CC[NH+]1CCCCC1)[NH2+]CC(=O)NC(N)=O ZINC001146613171 830212430 /nfs/dbraw/zinc/21/24/30/830212430.db2.gz ROKBZRMLZHUDHP-OLZOCXBDSA-N 2 0 341.456 -0.070 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@H](C)C(=O)NC[C@H]1CCCO1 ZINC001146710656 830221491 /nfs/dbraw/zinc/22/14/91/830221491.db2.gz KOYYANCAXJQMDP-ZIAGYGMSSA-N 2 0 328.457 -0.282 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC001146709774 830221665 /nfs/dbraw/zinc/22/16/65/830221665.db2.gz DIHCRTZEEATTTA-CABCVRRESA-N 2 0 331.457 -0.410 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001146711154 830223494 /nfs/dbraw/zinc/22/34/94/830223494.db2.gz PLUROYDXSRZHAO-CQSZACIVSA-N 2 0 331.457 -0.410 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C1CC[NH+](CC2CC2)CC1)C(=O)NC(N)=O ZINC001147301418 830318846 /nfs/dbraw/zinc/31/88/46/830318846.db2.gz XQKPKLNBPVDBDY-LLVKDONJSA-N 2 0 339.440 -0.602 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CC2(C1)CC[N@@H+](CCOCCO)C2 ZINC001147572846 830365288 /nfs/dbraw/zinc/36/52/88/830365288.db2.gz LOTVZPPMJFWZPB-INIZCTEOSA-N 2 0 337.464 -0.129 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147877585 830425318 /nfs/dbraw/zinc/42/53/18/830425318.db2.gz MFMRUTDBRTXJIG-VXGBXAGGSA-N 2 0 327.429 -0.732 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)NC2CCOCC2)C1 ZINC001147878270 830425336 /nfs/dbraw/zinc/42/53/36/830425336.db2.gz WYIDHOJUXJECMX-ZDUSSCGKSA-N 2 0 326.441 -0.671 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]CC(=O)NCc2cccnc2)C1 ZINC001147878084 830425404 /nfs/dbraw/zinc/42/54/04/830425404.db2.gz RKRWOIGNABUJNZ-CQSZACIVSA-N 2 0 333.436 -0.255 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F)C1 ZINC001147886314 830426306 /nfs/dbraw/zinc/42/63/06/830426306.db2.gz UDPZPXOQFLIMTM-VXGBXAGGSA-N 2 0 341.374 -0.026 20 0 EBADRP CCOCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147893803 830427013 /nfs/dbraw/zinc/42/70/13/830427013.db2.gz UDHDEXUJXZHMHR-AWEZNQCLSA-N 2 0 346.472 -0.798 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900452 830428273 /nfs/dbraw/zinc/42/82/73/830428273.db2.gz NFWWACVXNHESCF-KBPBESRZSA-N 2 0 328.457 -0.425 20 0 EBADRP COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977188 830433729 /nfs/dbraw/zinc/43/37/29/830433729.db2.gz MIFOTJREEDTJAQ-UONOGXRCSA-N 2 0 329.441 -0.800 20 0 EBADRP CS(=O)(=O)N1CC[C@H](C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001147977198 830434371 /nfs/dbraw/zinc/43/43/71/830434371.db2.gz MTWCFEGEQZIEFJ-CYBMUJFWSA-N 2 0 344.481 -0.931 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147994943 830434888 /nfs/dbraw/zinc/43/48/88/830434888.db2.gz WWJRBUFAHKGDQZ-UHFFFAOYSA-N 2 0 332.470 -0.931 20 0 EBADRP CC(C)(C)NC(=O)NC(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147994372 830435839 /nfs/dbraw/zinc/43/58/39/830435839.db2.gz GFAPOXWRAILCPD-UHFFFAOYSA-N 2 0 339.440 -0.588 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)n(C)n1 ZINC001147999890 830436990 /nfs/dbraw/zinc/43/69/90/830436990.db2.gz HJCLSHOWPJBDNV-UHFFFAOYSA-N 2 0 334.424 -0.531 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCNC(=O)c1c[nH+]ccc1N(C)C ZINC001148051830 830443938 /nfs/dbraw/zinc/44/39/38/830443938.db2.gz XNUAIPNCIAGASN-UHFFFAOYSA-N 2 0 337.424 -0.380 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC3(C2)CC[NH+](CCOCCO)C3)C1 ZINC001148284895 830464484 /nfs/dbraw/zinc/46/44/84/830464484.db2.gz IWJLUTFMLHRUHL-OAHLLOKOSA-N 2 0 325.453 -0.129 20 0 EBADRP C[NH+](C)CCCCC(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001148359898 830475977 /nfs/dbraw/zinc/47/59/77/830475977.db2.gz GNEPWLBNKCKGQH-CQSZACIVSA-N 2 0 328.457 -0.281 20 0 EBADRP CC[C@@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148611850 830517779 /nfs/dbraw/zinc/51/77/79/830517779.db2.gz PULTXBBLCKLFNI-ZDUSSCGKSA-N 2 0 326.441 -0.637 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC001148642117 830522777 /nfs/dbraw/zinc/52/27/77/830522777.db2.gz FQTQOSSKXDAJMR-CQSZACIVSA-N 2 0 336.440 -0.427 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001148655844 830525217 /nfs/dbraw/zinc/52/52/17/830525217.db2.gz SSBPOYANURRULX-GJZGRUSLSA-N 2 0 331.457 -0.410 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149855229 830765705 /nfs/dbraw/zinc/76/57/05/830765705.db2.gz WSIKYHSUOAERFS-CVEARBPZSA-N 2 0 343.468 -0.315 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](CCO)CCCO1 ZINC001149886773 830775651 /nfs/dbraw/zinc/77/56/51/830775651.db2.gz BZVPQBRJIRUOKS-OAHLLOKOSA-N 2 0 343.468 -0.456 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)COC)CCCO1 ZINC001150478827 830912628 /nfs/dbraw/zinc/91/26/28/830912628.db2.gz AFSNSXBLINOANS-HUUCEWRRSA-N 2 0 331.457 -0.457 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](CCOCCO)CCCO1 ZINC001150547230 830930237 /nfs/dbraw/zinc/93/02/37/830930237.db2.gz PEPUGXPLPGHURH-OAHLLOKOSA-N 2 0 331.457 -0.456 20 0 EBADRP CCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](C[C@H](O)COC)CCCO1 ZINC001150625062 830948516 /nfs/dbraw/zinc/94/85/16/830948516.db2.gz IEEZYEVIBHEUME-JKSUJKDBSA-N 2 0 345.484 -0.067 20 0 EBADRP COCCOCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001150699830 830964908 /nfs/dbraw/zinc/96/49/08/830964908.db2.gz NZXKOXRBKIGJHB-CVEARBPZSA-N 2 0 343.468 -0.192 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150779228 830982563 /nfs/dbraw/zinc/98/25/63/830982563.db2.gz QKTGTRYOSOILKF-CABCVRRESA-N 2 0 331.457 -0.459 20 0 EBADRP Cc1cc(N2CC[C@@H]([NH2+]CCNC(=O)[C@@H]3CC[N@H+](C)C3)C2=O)n(C)n1 ZINC001151065658 831020363 /nfs/dbraw/zinc/02/03/63/831020363.db2.gz MDGWIXIRORJGKJ-ZIAGYGMSSA-N 2 0 348.451 -0.509 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC001151073232 831020915 /nfs/dbraw/zinc/02/09/15/831020915.db2.gz HFOSTKPRTALHGL-GFCCVEGCSA-N 2 0 339.440 -0.636 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151101194 831025663 /nfs/dbraw/zinc/02/56/63/831025663.db2.gz PSGZVXWMANMQLM-UHFFFAOYSA-N 2 0 327.429 -0.730 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001151152469 831030953 /nfs/dbraw/zinc/03/09/53/831030953.db2.gz UHUZBYNJUIQTSC-ZDUSSCGKSA-N 2 0 326.441 -0.719 20 0 EBADRP CC(C)[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151156393 831032598 /nfs/dbraw/zinc/03/25/98/831032598.db2.gz BLXCGTVYAYXWHT-HUUCEWRRSA-N 2 0 342.484 -0.179 20 0 EBADRP CCn1nnc(C)c1C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151156806 831034152 /nfs/dbraw/zinc/03/41/52/831034152.db2.gz HDYBAMGUZPJKHB-ZDUSSCGKSA-N 2 0 338.456 -0.219 20 0 EBADRP CCC(C)(C)NC(=O)C[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151158626 831034242 /nfs/dbraw/zinc/03/42/42/831034242.db2.gz QGNISGOFFZKKFS-CQSZACIVSA-N 2 0 342.484 -0.035 20 0 EBADRP CCN1CC[C@H]([NH2+]CCNC(=O)[C@H](C)C[NH+]2CCOCC2)C1=O ZINC001151158618 831034298 /nfs/dbraw/zinc/03/42/98/831034298.db2.gz QFCWYLOAMPRSAS-KGLIPLIRSA-N 2 0 326.441 -0.719 20 0 EBADRP CCC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151160813 831037058 /nfs/dbraw/zinc/03/70/58/831037058.db2.gz ZCTMDFOJTALHAE-GJZGRUSLSA-N 2 0 342.484 -0.035 20 0 EBADRP O=C(CCC[NH+]1CCCCC1)NCC[NH2+]CCN1CCNC1=O ZINC001151362003 831061306 /nfs/dbraw/zinc/06/13/06/831061306.db2.gz SJMNPEWCCLKLHI-UHFFFAOYSA-N 2 0 325.457 -0.017 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152148468 831133516 /nfs/dbraw/zinc/13/35/16/831133516.db2.gz QDMDJXZQUNOAMZ-ZIAGYGMSSA-N 2 0 348.513 -0.106 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001152136377 831134066 /nfs/dbraw/zinc/13/40/66/831134066.db2.gz BLSSKIXOSYLACS-ZIAGYGMSSA-N 2 0 340.468 -0.140 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001152146380 831134411 /nfs/dbraw/zinc/13/44/11/831134411.db2.gz JCJOVCRRZCYMSC-BETUJISGSA-N 2 0 334.486 -0.496 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH2+]CC(=O)Nc1cnccn1 ZINC001152136926 831134477 /nfs/dbraw/zinc/13/44/77/831134477.db2.gz ISGPZZSYKLECFQ-CHWSQXEVSA-N 2 0 334.424 -0.006 20 0 EBADRP O=C(CC[NH+]1CCCCC1)NCC[NH2+]CC(=O)Nc1cnccn1 ZINC001152339716 831153612 /nfs/dbraw/zinc/15/36/12/831153612.db2.gz ACAQAYUVMDWCKS-UHFFFAOYSA-N 2 0 334.424 -0.003 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001152427185 831162127 /nfs/dbraw/zinc/16/21/27/831162127.db2.gz UHJLHZOQURRTJU-LLVKDONJSA-N 2 0 329.363 -0.028 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152470474 831165540 /nfs/dbraw/zinc/16/55/40/831165540.db2.gz BPSBOHOIJSZTCH-ZDUSSCGKSA-N 2 0 327.429 -0.732 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O)[NH+]1CCCC1 ZINC001152473987 831166474 /nfs/dbraw/zinc/16/64/74/831166474.db2.gz YARFFTUGCAKRJL-RYUDHWBXSA-N 2 0 327.429 -0.604 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001152479527 831167034 /nfs/dbraw/zinc/16/70/34/831167034.db2.gz HAESWKWCIRMVNB-CVEARBPZSA-N 2 0 345.484 -0.164 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)CCCC[NH+]1CCCC1)C(=O)NC(N)=O ZINC001153309313 831222117 /nfs/dbraw/zinc/22/21/17/831222117.db2.gz LVAPGTWSWNOOQB-GFCCVEGCSA-N 2 0 327.429 -0.458 20 0 EBADRP O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ccc(OCC3CC[NH2+]CC3)nn2)N1 ZINC001155582214 831415255 /nfs/dbraw/zinc/41/52/55/831415255.db2.gz ZWTXWZPGEXPOLR-LRDDRELGSA-N 2 0 332.408 -0.155 20 0 EBADRP C[C@@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C)C(=O)Nc1ncccn1 ZINC001155791268 831430173 /nfs/dbraw/zinc/43/01/73/831430173.db2.gz UXUXCOQCEIJGPB-CHWSQXEVSA-N 2 0 334.424 -0.006 20 0 EBADRP CC[N@H+](CCN1CCNC1=O)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156934922 831515317 /nfs/dbraw/zinc/51/53/17/831515317.db2.gz IYRXNQICWFRCGE-CQSZACIVSA-N 2 0 325.457 -0.066 20 0 EBADRP [NH3+]CCCC[C@H](NC(=O)CNC1CC[NH2+]CC1)C(=O)N1CCCC1 ZINC001157369443 831560369 /nfs/dbraw/zinc/56/03/69/831560369.db2.gz SUWYLRAIMSJEHH-HNNXBMFYSA-N 2 0 339.484 -0.436 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157371074 831562419 /nfs/dbraw/zinc/56/24/19/831562419.db2.gz NZPRPKBQAYNCHV-KBPBESRZSA-N 3 0 327.473 -0.321 20 0 EBADRP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001157448620 831566285 /nfs/dbraw/zinc/56/62/85/831566285.db2.gz CERIWFRGWZPSPK-CXAGYDPISA-N 3 0 338.452 -0.541 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC001157592929 831580174 /nfs/dbraw/zinc/58/01/74/831580174.db2.gz STKWOEHYGOHFPZ-XQQFMLRXSA-N 2 0 336.461 -0.187 20 0 EBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CCC[C@](F)(C[NH3+])CC2)COC1(C)C ZINC001157756321 831590550 /nfs/dbraw/zinc/59/05/50/831590550.db2.gz XCJFDAWPNVIDQW-MQIPJXDCSA-N 2 0 344.431 -0.023 20 0 EBADRP C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001157845195 831597274 /nfs/dbraw/zinc/59/72/74/831597274.db2.gz BAQYWRZEQQISBX-XQQFMLRXSA-N 2 0 328.457 -0.169 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001157898990 831604460 /nfs/dbraw/zinc/60/44/60/831604460.db2.gz FWNHQRMCKLRNDR-RYUDHWBXSA-N 2 0 327.429 -0.462 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001157898988 831604475 /nfs/dbraw/zinc/60/44/75/831604475.db2.gz FWNHQRMCKLRNDR-NEPJUHHUSA-N 2 0 327.429 -0.462 20 0 EBADRP O=C(NCCC[NH2+]CCN1CCNC1=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001158038107 831622119 /nfs/dbraw/zinc/62/21/19/831622119.db2.gz NBAPGZDBHVXXRL-GJZGRUSLSA-N 2 0 337.468 -0.018 20 0 EBADRP O=C(C[C@@H]1Cc2ccccc2C[NH2+]1)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158092299 831627171 /nfs/dbraw/zinc/62/71/71/831627171.db2.gz MVGFGHKUNVMKJD-YJBOKZPZSA-N 2 0 328.416 -0.219 20 0 EBADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)c1 ZINC001158101580 831627963 /nfs/dbraw/zinc/62/79/63/831627963.db2.gz KAHYMHNYAWFCRC-YOEHRIQHSA-N 2 0 332.404 -0.745 20 0 EBADRP O=C(C[C@@H]1C[NH2+]CC1(F)F)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120197 831629634 /nfs/dbraw/zinc/62/96/34/831629634.db2.gz KCODBMBDCCSJLS-QMTHXVAHSA-N 2 0 328.363 -0.831 20 0 EBADRP CC(C)[C@@]1(C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)CCC[NH2+]C1 ZINC001158121722 831631053 /nfs/dbraw/zinc/63/10/53/831631053.db2.gz WOZVRPHIXORNLY-MSOLQXFVSA-N 2 0 334.464 -0.050 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)Nc1cnccn1 ZINC001158195859 831639006 /nfs/dbraw/zinc/63/90/06/831639006.db2.gz FKGNBPILMXHRCM-AWEZNQCLSA-N 2 0 346.435 -0.147 20 0 EBADRP O=C([C@@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158305940 831644978 /nfs/dbraw/zinc/64/49/78/831644978.db2.gz MFBGSYLJKHFBAU-KMXJZHQMSA-N 2 0 326.400 -0.084 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158379821 831650518 /nfs/dbraw/zinc/65/05/18/831650518.db2.gz IPYPWIPKDNDQPE-IJLUTSLNSA-N 2 0 327.429 -0.733 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]C[C@H](O)CN2CCCC2=O)CC[N@@H+]1C ZINC001158428798 831655010 /nfs/dbraw/zinc/65/50/10/831655010.db2.gz SRSHOIAHQWHGMB-QLFBSQMISA-N 2 0 340.468 -0.594 20 0 EBADRP CCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158486287 831659000 /nfs/dbraw/zinc/65/90/00/831659000.db2.gz JASHCGFHMJCSJW-ZIAGYGMSSA-N 2 0 326.441 -0.528 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1C[C@H](OC)CC[NH2+]1 ZINC001158507334 831661798 /nfs/dbraw/zinc/66/17/98/831661798.db2.gz XSHNXDJHOHBAGR-MQLXINIDSA-N 2 0 325.409 -0.495 20 0 EBADRP O=C(C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158532362 831662978 /nfs/dbraw/zinc/66/29/78/831662978.db2.gz AXMAWSUEMICKSF-HZFUYJJFSA-N 2 0 335.448 -0.020 20 0 EBADRP O=C([C@@H]1C[NH2+]CC12CCOCC2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158532602 831663279 /nfs/dbraw/zinc/66/32/79/831663279.db2.gz CTQZWAZWDWURPM-ZXFNITATSA-N 2 0 335.448 -0.018 20 0 EBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001158821275 831688338 /nfs/dbraw/zinc/68/83/38/831688338.db2.gz GKYOCOSMTXOQPA-CYBMUJFWSA-N 2 0 342.403 -0.387 20 0 EBADRP CC(C)N(C)C(=O)c1noc2c1CN(C(=O)C[NH2+]CCC[NH3+])CC2 ZINC001158959517 831697854 /nfs/dbraw/zinc/69/78/54/831697854.db2.gz QMXNFPMNBPUJGS-UHFFFAOYSA-N 2 0 337.424 -0.022 20 0 EBADRP CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@H]([NH3+])CCC[NH3+])C[C@@H]21 ZINC001159045435 831705754 /nfs/dbraw/zinc/70/57/54/831705754.db2.gz AHARIUOZMPJSKV-AAVRWANBSA-N 2 0 326.441 -0.606 20 0 EBADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)C1 ZINC001159134042 831710729 /nfs/dbraw/zinc/71/07/29/831710729.db2.gz MCVKAYUFGMFTCT-ZIAGYGMSSA-N 3 0 332.452 -0.788 20 0 EBADRP C[NH+](C)Cc1ccsc1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001159155246 831712251 /nfs/dbraw/zinc/71/22/51/831712251.db2.gz LQANURHBLZKTKN-UHFFFAOYSA-N 2 0 341.437 -0.286 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001159155652 831712544 /nfs/dbraw/zinc/71/25/44/831712544.db2.gz SEPCUZQXLXUIAU-NEPJUHHUSA-N 2 0 330.404 -0.433 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001159155654 831712580 /nfs/dbraw/zinc/71/25/80/831712580.db2.gz SEPCUZQXLXUIAU-RYUDHWBXSA-N 2 0 330.404 -0.433 20 0 EBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001159224904 831725384 /nfs/dbraw/zinc/72/53/84/831725384.db2.gz MLHYVMUPRZVVAK-ILXRZTDVSA-N 2 0 332.448 -0.203 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001159272749 831734003 /nfs/dbraw/zinc/73/40/03/831734003.db2.gz NXPOUABLVQNHDK-MJBXVCDLSA-N 2 0 334.424 -0.651 20 0 EBADRP Nc1ncn(C2=CCC[NH2+]C2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001159395928 831749051 /nfs/dbraw/zinc/74/90/51/831749051.db2.gz HNKVZPFWLFZVQL-CMPLNLGQSA-N 2 0 338.843 -0.176 20 0 EBADRP N[C@@H](CC[NH3+])C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159403987 831749947 /nfs/dbraw/zinc/74/99/47/831749947.db2.gz SZSLPPKSCCZFNV-XDQVBPFNSA-N 2 0 334.424 -0.890 20 0 EBADRP CCN1C[C@H]2CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC[C@H]2S1(=O)=O ZINC001159402777 831750194 /nfs/dbraw/zinc/75/01/94/831750194.db2.gz DKZQZXBMFUZMTD-JHJVBQTASA-N 2 0 332.470 -0.675 20 0 EBADRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H]1C[C@@H]([NH3+])CN1)C2 ZINC001159481498 831755493 /nfs/dbraw/zinc/75/54/93/831755493.db2.gz RONPJJOOGIRGMX-XLMAVXFVSA-N 2 0 336.480 -0.118 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001159514991 831758113 /nfs/dbraw/zinc/75/81/13/831758113.db2.gz NDKJJADLIDGQJJ-GFCCVEGCSA-N 2 0 332.412 -0.679 20 0 EBADRP CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C2 ZINC001159519797 831759634 /nfs/dbraw/zinc/75/96/34/831759634.db2.gz MVXXOHDEQIRDEJ-LBPRGKRZSA-N 2 0 337.428 -0.945 20 0 EBADRP CCN1C(C)=N[C@@]2(CC[C@@H]3CN(C(=O)[C@H]([NH3+])CCC[NH3+])C[C@@H]32)C1=O ZINC001159687929 831773206 /nfs/dbraw/zinc/77/32/06/831773206.db2.gz LTMVIWIZHDOMBS-UMPJEAMMSA-N 2 0 335.452 -0.060 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001159868383 831789672 /nfs/dbraw/zinc/78/96/72/831789672.db2.gz BUBCZJGIHGIJMW-ZFWWWQNUSA-N 2 0 340.468 -0.140 20 0 EBADRP NC(=O)NCCC[C@@H]([NH3+])C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155269 831820266 /nfs/dbraw/zinc/82/02/66/831820266.db2.gz HHZZJVGPAJCFSC-HZSPNIEDSA-N 2 0 339.440 -0.916 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001160274156 831831046 /nfs/dbraw/zinc/83/10/46/831831046.db2.gz POYGKWMSNQCBJG-CHWSQXEVSA-N 2 0 341.456 -0.199 20 0 EBADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCCO1)[NH+](C)C ZINC001160426651 831848147 /nfs/dbraw/zinc/84/81/47/831848147.db2.gz IKCOKSBPKXYRRX-ZBFHGGJFSA-N 2 0 342.484 -0.036 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1[C@H](C(=O)OC)CS[C@@H]1C(=O)OC ZINC001160494270 831857080 /nfs/dbraw/zinc/85/70/80/831857080.db2.gz RVRYFXVYONJEGH-JBLDHEPKSA-N 2 0 347.437 -0.681 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC001160504834 831857950 /nfs/dbraw/zinc/85/79/50/831857950.db2.gz AOROCHPNEJYHMI-KBPBESRZSA-N 2 0 326.441 -0.317 20 0 EBADRP CN(CC1(C)COC1)C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160549594 831862072 /nfs/dbraw/zinc/86/20/72/831862072.db2.gz RCOLZIHXGDSWQZ-KBPBESRZSA-N 2 0 340.468 -0.071 20 0 EBADRP N[C@]1(C(=O)N2c3ccccc3C(=O)NC23CC[NH2+]CC3)CC[NH2+]C1 ZINC001160588407 831866978 /nfs/dbraw/zinc/86/69/78/831866978.db2.gz BNKHAQRUZWSZDM-MRXNPFEDSA-N 2 0 329.404 -0.467 20 0 EBADRP COC(=O)C[C@@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCO1 ZINC001160595779 831869418 /nfs/dbraw/zinc/86/94/18/831869418.db2.gz ILPAXYVRGIWTQI-CHWSQXEVSA-N 2 0 325.409 -0.349 20 0 EBADRP CCOC(=O)[C@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCO1 ZINC001160597240 831869449 /nfs/dbraw/zinc/86/94/49/831869449.db2.gz RCXADDJDHZYXDE-CHWSQXEVSA-N 2 0 325.409 -0.349 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160628339 831871770 /nfs/dbraw/zinc/87/17/70/831871770.db2.gz CBFMMOSQFNLQDW-SJLPKXTDSA-N 3 0 339.528 -0.083 20 0 EBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160629557 831872246 /nfs/dbraw/zinc/87/22/46/831872246.db2.gz QHWXSZYMHJKNID-OAHLLOKOSA-N 3 0 325.501 -0.473 20 0 EBADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@]23C(=O)Nc2ccccc23)C[C@@H]1F ZINC001160650449 831876293 /nfs/dbraw/zinc/87/62/93/831876293.db2.gz WOWJDZAAMYQSGI-IPJQOSJUSA-N 2 0 332.379 -0.006 20 0 EBADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@]23C(=O)Nc2ccccc23)C[C@H]1O ZINC001160652412 831876950 /nfs/dbraw/zinc/87/69/50/831876950.db2.gz DHZCVSYREYXFII-CTWCOEIASA-N 2 0 330.388 -0.984 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001160760723 831884141 /nfs/dbraw/zinc/88/41/41/831884141.db2.gz PVDJEOKXTFLCDB-LOWVWBTDSA-N 2 0 332.395 -0.523 20 0 EBADRP [NH3+]CCOCCOCC(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160778736 831885555 /nfs/dbraw/zinc/88/55/55/831885555.db2.gz CIWNOENZHHXWBB-AEFFLSMTSA-N 2 0 333.432 -0.022 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]([NH3+])Cc3cnc[nH]3)C[C@H]1C2 ZINC001160789404 831886371 /nfs/dbraw/zinc/88/63/71/831886371.db2.gz CIDVTVAGFHNTPA-TVHFBRNDSA-N 2 0 347.419 -0.863 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]([NH3+])Cn3cccn3)C[C@H]1C2 ZINC001160790931 831887262 /nfs/dbraw/zinc/88/72/62/831887262.db2.gz UBPITNQOCPCINX-RBUCKAEESA-N 2 0 347.419 -0.933 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H]3C[C@@]34CC[NH2+]C4)C[C@H]1C2 ZINC001160792512 831887394 /nfs/dbraw/zinc/88/73/94/831887394.db2.gz VRWDFLCHVIDXHV-DNDIHPSWSA-N 2 0 333.432 -0.157 20 0 EBADRP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H]3CC[NH2+]C[C@H]3F)C[C@H]1C2 ZINC001160797403 831888715 /nfs/dbraw/zinc/88/87/15/831888715.db2.gz NVVNQYGPBZAUFM-ZPVXYNJMSA-N 2 0 339.411 -0.209 20 0 EBADRP CN(C(=O)CN1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC1)c1ccccc1 ZINC001160893820 831903764 /nfs/dbraw/zinc/90/37/64/831903764.db2.gz BQNBDGYORMCQLD-MRXNPFEDSA-N 2 0 347.463 -0.140 20 0 EBADRP CC[C@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NCCCOC)[NH+](C)C ZINC001160889123 831903778 /nfs/dbraw/zinc/90/37/78/831903778.db2.gz DUKKTKRUWYSCNQ-ZIAGYGMSSA-N 2 0 330.473 -0.036 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)[C@H]2Cn3nnnc3C23CC[NH2+]CC3)CC(F)(F)C1 ZINC001160967129 831911210 /nfs/dbraw/zinc/91/12/10/831911210.db2.gz JASGGRLDNTYILB-VHSXEESVSA-N 2 0 341.366 -0.881 20 0 EBADRP O=C(C1CCN([C@@H]2CC[NH2+]C2)CC1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161009308 831913519 /nfs/dbraw/zinc/91/35/19/831913519.db2.gz UKKONWCZZVQEQT-HZPDHXFCSA-N 2 0 336.480 -0.224 20 0 EBADRP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)cc1 ZINC001161010137 831913606 /nfs/dbraw/zinc/91/36/06/831913606.db2.gz ZMKFAXPYKXGDMO-LSDHHAIUSA-N 2 0 346.431 -0.629 20 0 EBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161006946 831913706 /nfs/dbraw/zinc/91/37/06/831913706.db2.gz HNELPXFHKDDGLI-UONOGXRCSA-N 2 0 326.441 -0.665 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C[NH3+])CC[NH2+]1 ZINC001161019959 831914741 /nfs/dbraw/zinc/91/47/41/831914741.db2.gz KIABHBRPCJRUGN-WBMJQRKESA-N 2 0 343.431 -0.026 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001161053228 831918607 /nfs/dbraw/zinc/91/86/07/831918607.db2.gz RTOJPCCGGFMXPN-LBPRGKRZSA-N 2 0 325.413 -0.882 20 0 EBADRP CN(C(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161058559 831919630 /nfs/dbraw/zinc/91/96/30/831919630.db2.gz YCPRJKOSGSGCNE-AVGNSLFASA-N 2 0 333.440 -0.348 20 0 EBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)COC1(C)C ZINC001161083833 831921107 /nfs/dbraw/zinc/92/11/07/831921107.db2.gz UOOLFLLVHXRBPU-FQUUOJAGSA-N 2 0 338.452 -0.150 20 0 EBADRP C[NH+](C)CCC(=O)NCCC1=CC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC001161089055 831922587 /nfs/dbraw/zinc/92/25/87/831922587.db2.gz HLAHLAGHSFUCFH-CQSZACIVSA-N 2 0 336.436 -0.118 20 0 EBADRP CCOC(=O)[C@H]1COCCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001161093457 831923374 /nfs/dbraw/zinc/92/33/74/831923374.db2.gz OOPJPTBFYURILL-CHWSQXEVSA-N 2 0 325.409 -0.349 20 0 EBADRP COc1cc(N2CCN(C(=O)[C@H]([NH3+])C3CC[NH2+]CC3)CC2)ncn1 ZINC001161093178 831923398 /nfs/dbraw/zinc/92/33/98/831923398.db2.gz JLBLCXMNPNHTAF-OAHLLOKOSA-N 2 0 334.424 -0.539 20 0 EBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1C[NH2+]CC12CCOCC2 ZINC001161158008 831934085 /nfs/dbraw/zinc/93/40/85/831934085.db2.gz NNURCWZTLWHXTG-CYBMUJFWSA-N 2 0 327.425 -0.257 20 0 EBADRP N[C@@H](CC[NH3+])C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198735 831937763 /nfs/dbraw/zinc/93/77/63/831937763.db2.gz VZRBSWSLRZTFAO-INIZCTEOSA-N 2 0 341.500 -0.787 20 0 EBADRP CN(C(=O)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1NC2=O)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161220321 831938629 /nfs/dbraw/zinc/93/86/29/831938629.db2.gz ACQQTUOTQUQSNH-ARKGTOAJSA-N 2 0 326.400 -0.225 20 0 EBADRP [NH3+]C[C@@]1(F)CCN(C(=O)[C@@H]([NH3+])CCCNC(=O)c2cnccn2)C1 ZINC001161239098 831939259 /nfs/dbraw/zinc/93/92/59/831939259.db2.gz GPVLYAYIYZXTRC-NHYWBVRUSA-N 2 0 338.387 -0.787 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]CCN1C(=O)CCC1=O ZINC001161245152 831940487 /nfs/dbraw/zinc/94/04/87/831940487.db2.gz JHSJCIGJPVVYMM-UHFFFAOYSA-N 2 0 326.441 -0.038 20 0 EBADRP CCS(=O)(=O)NC1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001161260311 831941795 /nfs/dbraw/zinc/94/17/95/831941795.db2.gz OGBRTQCPZSNKBO-IUODEOHRSA-N 2 0 344.481 -0.884 20 0 EBADRP COc1cnc(O[C@@H]2CCN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C2)nc1 ZINC001161298201 831945339 /nfs/dbraw/zinc/94/53/39/831945339.db2.gz ILMXPAGCVKKLAJ-DGCLKSJQSA-N 2 0 333.392 -0.726 20 0 EBADRP COc1cc(C)nc(N(C(=O)[C@]2(N)CCC[NH2+]C2)C2CC[NH2+]CC2)n1 ZINC001161309455 831947123 /nfs/dbraw/zinc/94/71/23/831947123.db2.gz QELVSEAHFNXHLI-KRWDZBQOSA-N 2 0 348.451 -0.040 20 0 EBADRP COc1cc(C)nc(N(C(=O)[C@@H]([NH3+])CCC[NH3+])C2CC[NH2+]CC2)n1 ZINC001161309150 831947203 /nfs/dbraw/zinc/94/72/03/831947203.db2.gz MEOZTFDAYOJLSP-ZDUSSCGKSA-N 3 0 336.440 -0.055 20 0 EBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3Cn4nnnc4C34CC[NH2+]CC4)C[C@H]12 ZINC001161414367 831955876 /nfs/dbraw/zinc/95/58/76/831955876.db2.gz VTQQLBPKIRATPX-YVECIDJPSA-N 2 0 331.424 -0.880 20 0 EBADRP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161413546 831955965 /nfs/dbraw/zinc/95/59/65/831955965.db2.gz QKXWCZANXLGPIR-DGAVXFQQSA-N 2 0 346.435 -0.490 20 0 EBADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3Cn4nnnc4C34CC[NH2+]CC4)C[C@@H]12 ZINC001161414365 831956212 /nfs/dbraw/zinc/95/62/12/831956212.db2.gz VTQQLBPKIRATPX-FVCCEPFGSA-N 2 0 331.424 -0.880 20 0 EBADRP CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161448342 831958517 /nfs/dbraw/zinc/95/85/17/831958517.db2.gz BRSJLDYCPNSDOO-QLFBSQMISA-N 3 0 326.441 -0.720 20 0 EBADRP C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161450064 831958893 /nfs/dbraw/zinc/95/88/93/831958893.db2.gz ZJBYWWPOTQIDCH-UXXRCYHCSA-N 2 0 340.468 -0.740 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])Cc1cncn1C)CC2 ZINC001161476281 831962329 /nfs/dbraw/zinc/96/23/29/831962329.db2.gz CJITWBNNRQQUGP-ZENOOKHLSA-N 2 0 335.408 -0.957 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)c1cnc3n1CC[NH2+]CC3)CC2 ZINC001161483137 831964591 /nfs/dbraw/zinc/96/45/91/831964591.db2.gz KTDJMRHEVWNVND-DYVFJYSZSA-N 2 0 347.419 -0.604 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)c1[nH]nc3c1C[NH2+]CC3)CC2 ZINC001161483983 831965005 /nfs/dbraw/zinc/96/50/05/831965005.db2.gz REQNPJNQGYDIRC-MLGOLLRUSA-N 2 0 333.392 -0.577 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)[C@@H](c2ccco2)N2CCC([NH3+])CC2)CC12COC2 ZINC001161498968 831966843 /nfs/dbraw/zinc/96/68/43/831966843.db2.gz DJEXLIQFXMNCQC-HUUCEWRRSA-N 2 0 334.420 -0.070 20 0 EBADRP C[N@H+](C1CN(C(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)C1)[C@H]1CCOC1 ZINC001161499541 831967071 /nfs/dbraw/zinc/96/70/71/831967071.db2.gz PPWLOGABBJEWNR-JYJNAYRXSA-N 2 0 336.480 -0.008 20 0 EBADRP [NH3+][C@@H](C(=O)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1)C1CC[NH2+]CC1 ZINC001161601682 831977155 /nfs/dbraw/zinc/97/71/55/831977155.db2.gz JSWQNZVPTYSJAW-RRFJBIMHSA-N 2 0 328.432 -0.416 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])c1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC001162130755 832020802 /nfs/dbraw/zinc/02/08/02/832020802.db2.gz GMHQNMGIWHYQPT-UHFFFAOYSA-N 2 0 326.422 -0.543 20 0 EBADRP CS(=O)(=O)c1nc2c(c(N[C@@H]3C=C[C@@H]4C[NH2+]C[C@H]34)n1)CC[NH2+]CC2 ZINC001162790029 832063309 /nfs/dbraw/zinc/06/33/09/832063309.db2.gz PTQHSUQUQWGQOB-KGYLQXTDSA-N 2 0 349.460 -0.246 20 0 EBADRP Cc1nnc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[nH]1 ZINC001162872091 832068655 /nfs/dbraw/zinc/06/86/55/832068655.db2.gz GKXNNEZJIFSRSW-MFOWVQHXSA-N 2 0 334.424 -0.428 20 0 EBADRP CCn1ncc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)n1 ZINC001162872362 832069311 /nfs/dbraw/zinc/06/93/11/832069311.db2.gz PORWMZNURDMKGW-GNHJJJEISA-N 2 0 348.451 -0.243 20 0 EBADRP CN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1=O ZINC001162872625 832069877 /nfs/dbraw/zinc/06/98/77/832069877.db2.gz YNLGMKUJPZMNJD-DLOXAQCQSA-N 2 0 336.436 -0.824 20 0 EBADRP [NH3+][C@H]1COC[C@H]1Nc1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1 ZINC001162925781 832072438 /nfs/dbraw/zinc/07/24/38/832072438.db2.gz AVZRUUHSPYIPPD-LSDHHAIUSA-N 2 0 340.449 -0.145 20 0 EBADRP O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ccc(OCC[NH+]3CCCC3)nn2)N1 ZINC001163240126 832092802 /nfs/dbraw/zinc/09/28/02/832092802.db2.gz XDXPVOZITVCLKE-MLGOLLRUSA-N 2 0 332.408 -0.059 20 0 EBADRP CS(=O)(=O)c1nc2c(c(-n3cnc4c3C[NH2+]CC4)n1)CC[NH2+]CC2 ZINC001164310620 832183663 /nfs/dbraw/zinc/18/36/63/832183663.db2.gz WVYBRSMDGWPQAX-UHFFFAOYSA-N 2 0 348.432 -0.600 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+][C@@H](C)c2nnnn2C)C1 ZINC001164539152 832195721 /nfs/dbraw/zinc/19/57/21/832195721.db2.gz TWZVSRULBCABNF-QWHCGFSZSA-N 2 0 339.444 -0.524 20 0 EBADRP COCCCNC(=O)C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165253405 832208938 /nfs/dbraw/zinc/20/89/38/832208938.db2.gz FJQBJRRFSQMLFN-UHFFFAOYSA-N 2 0 328.457 -0.423 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165272755 832209184 /nfs/dbraw/zinc/20/91/84/832209184.db2.gz YZDFARQYHCGKDB-CQSZACIVSA-N 2 0 342.484 -0.035 20 0 EBADRP C[C@H](NC(=O)C[NH2+]CCCNC(=O)CCC[NH+](C)C)C(=O)N(C)C ZINC001165378249 832218496 /nfs/dbraw/zinc/21/84/96/832218496.db2.gz JFMVMSZGOIJQOC-ZDUSSCGKSA-N 2 0 343.472 -0.983 20 0 EBADRP C[NH+](C)CCCC(=O)NCCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001165377933 832218704 /nfs/dbraw/zinc/21/87/04/832218704.db2.gz BWSRQUIRTHPAKW-HZPDHXFCSA-N 2 0 345.484 -0.019 20 0 EBADRP C[NH+]1CCC(C(=O)NCCC[NH2+]Cc2nnc3n2CCOC3)CC1 ZINC001165772098 832236599 /nfs/dbraw/zinc/23/65/99/832236599.db2.gz KBKDEIVYRLYDHN-UHFFFAOYSA-N 2 0 336.440 -0.254 20 0 EBADRP CN(C)S(=O)(=O)CCC[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165776011 832237353 /nfs/dbraw/zinc/23/73/53/832237353.db2.gz DELUFJMVHLJCQJ-UHFFFAOYSA-N 2 0 348.513 -0.294 20 0 EBADRP COC[C@@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165776635 832237493 /nfs/dbraw/zinc/23/74/93/832237493.db2.gz MDTAPJITMDLYEX-GDBMZVCRSA-N 2 0 345.484 -0.164 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001351552879 832250026 /nfs/dbraw/zinc/25/00/26/832250026.db2.gz QZRYIFJCROEOPT-UBHSHLNASA-N 2 0 326.441 -0.714 20 0 EBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC001351606037 832258341 /nfs/dbraw/zinc/25/83/41/832258341.db2.gz HHVNFODXKFAYHH-CYBMUJFWSA-N 2 0 344.375 -0.611 20 0 EBADRP CC[C@@H](C(=O)NCCC[NH2+]Cc1nc(=O)n(C)[nH]1)[NH+](CC)CC ZINC001166425947 832261359 /nfs/dbraw/zinc/26/13/59/832261359.db2.gz XMOMHLLRJXNUGR-LBPRGKRZSA-N 2 0 326.445 -0.175 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166627436 832274346 /nfs/dbraw/zinc/27/43/46/832274346.db2.gz VTIOJLGIXCWZHX-VXGBXAGGSA-N 2 0 327.429 -0.589 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001166634176 832276018 /nfs/dbraw/zinc/27/60/18/832276018.db2.gz PZJQGPJTBZZRMF-CQSZACIVSA-N 2 0 326.441 -0.575 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001166676897 832278696 /nfs/dbraw/zinc/27/86/96/832278696.db2.gz DTRSIHFSWLMJSG-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166676672 832279147 /nfs/dbraw/zinc/27/91/47/832279147.db2.gz AYGDKPNFJBTBES-GJZGRUSLSA-N 2 0 331.457 -0.552 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166676633 832279196 /nfs/dbraw/zinc/27/91/96/832279196.db2.gz ABRHYBNEVONZDB-HUUCEWRRSA-N 2 0 342.484 -0.035 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001166692364 832280313 /nfs/dbraw/zinc/28/03/13/832280313.db2.gz OUHGBFISFCZEJC-ZFWWWQNUSA-N 2 0 328.457 -0.567 20 0 EBADRP CC[C@@H](C(=O)NCCC[NH2+]CCCN1C(=O)CNC1=O)[NH+](C)C ZINC001166852759 832293774 /nfs/dbraw/zinc/29/37/74/832293774.db2.gz WGSKXZTVUBGPES-LBPRGKRZSA-N 2 0 327.429 -0.636 20 0 EBADRP CC[C@@H](C(=O)NCCC[NH2+]CC(=O)Nc1nncs1)[NH+](C)C ZINC001166858702 832294396 /nfs/dbraw/zinc/29/43/96/832294396.db2.gz XUUOOOSJAMKFTD-JTQLQIEISA-N 2 0 328.442 -0.087 20 0 EBADRP CC[C@H]([NH2+]CCCNC(=O)COC[C@H](C)[NH+]1CCCC1)C(N)=O ZINC001166930222 832299754 /nfs/dbraw/zinc/29/97/54/832299754.db2.gz AMBVMOHSWOQDPK-KBPBESRZSA-N 2 0 328.457 -0.153 20 0 EBADRP C[C@H](COCC(=O)NCCC[NH2+]Cc1cnn(C)n1)[NH+]1CCCC1 ZINC001166930997 832300260 /nfs/dbraw/zinc/30/02/60/832300260.db2.gz OSFVEVNKPZBGNA-CQSZACIVSA-N 2 0 338.456 -0.088 20 0 EBADRP C[C@H](COCC(=O)NCCC[NH2+]CC(=O)N1CCC1)[NH+]1CCCC1 ZINC001166931197 832300356 /nfs/dbraw/zinc/30/03/56/832300356.db2.gz RWHINNHEAUZCQJ-OAHLLOKOSA-N 2 0 340.468 -0.185 20 0 EBADRP CCNC(=O)C[NH2+]CCCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001166930738 832300379 /nfs/dbraw/zinc/30/03/79/832300379.db2.gz MQZJRQLMYCHOOS-CQSZACIVSA-N 2 0 328.457 -0.281 20 0 EBADRP C[C@H](COCC(=O)NCCC[NH2+]CC(=O)N(C)C)[NH+]1CCCC1 ZINC001166930648 832300540 /nfs/dbraw/zinc/30/05/40/832300540.db2.gz KWZIJKGIYZRCTO-CQSZACIVSA-N 2 0 328.457 -0.329 20 0 EBADRP CCN(CCCNC(=O)[C@H]1CN(C)CCO1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001352090395 832305181 /nfs/dbraw/zinc/30/51/81/832305181.db2.gz FTYFGVKUVBBYMM-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)Nc2cncnc2)C[C@H]1C[NH+](C)C ZINC001352190505 832312142 /nfs/dbraw/zinc/31/21/42/832312142.db2.gz NSLKBLNRYALNEO-CHWSQXEVSA-N 2 0 334.424 -0.387 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCCC2(C[NH2+]Cc3nnnn3C)CC2)C1 ZINC001167232602 832319167 /nfs/dbraw/zinc/31/91/67/832319167.db2.gz JMBSOTKIIHNIKL-CYBMUJFWSA-N 2 0 335.456 -0.072 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001167609751 832360941 /nfs/dbraw/zinc/36/09/41/832360941.db2.gz PLDKVMRPEJOQLB-ZDUSSCGKSA-N 2 0 341.456 -0.198 20 0 EBADRP Cn1ncc(C[NH2+]CC2(CCNC(=O)COCC[NH+](C)C)CC2)n1 ZINC001167733271 832368015 /nfs/dbraw/zinc/36/80/15/832368015.db2.gz XVNUYLODDPWAIL-UHFFFAOYSA-N 2 0 338.456 -0.231 20 0 EBADRP Cn1nnnc1C[NH2+]CC1(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001167746750 832369990 /nfs/dbraw/zinc/36/99/90/832369990.db2.gz YEGGRNMKKALKLM-UHFFFAOYSA-N 2 0 333.440 -0.318 20 0 EBADRP COc1ccc(CN2CC[NH+](C)CC2)cc1-n1nnc(CC[NH3+])n1 ZINC001167792542 832374785 /nfs/dbraw/zinc/37/47/85/832374785.db2.gz HWLQEMZIENUQSY-UHFFFAOYSA-N 2 0 331.424 -0.081 20 0 EBADRP [NH2+]=C(NCCCC[NH3+])Nc1ccc(CN2CCNC2=N[N+](=O)[O-])cn1 ZINC001167879863 832380508 /nfs/dbraw/zinc/38/05/08/832380508.db2.gz QBGANFYANNNVCI-UHFFFAOYSA-N 2 0 349.399 -0.290 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168030965 832388174 /nfs/dbraw/zinc/38/81/74/832388174.db2.gz VWZIKTJDNXTHQE-VXGBXAGGSA-N 2 0 325.413 -0.706 20 0 EBADRP C[C@H]([NH2+]CCCNC(=O)c1cnn(CC[NH+](C)C)c1)C(=O)N(C)C ZINC001168052837 832391803 /nfs/dbraw/zinc/39/18/03/832391803.db2.gz XYBLDBZXMZWVLH-ZDUSSCGKSA-N 2 0 338.456 -0.369 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC2(C[NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001168138127 832399254 /nfs/dbraw/zinc/39/92/54/832399254.db2.gz RNRYDXHBSCZHIE-LLVKDONJSA-N 2 0 325.413 -0.991 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CC1(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001168147049 832399286 /nfs/dbraw/zinc/39/92/86/832399286.db2.gz NHWDFQITXDBMBW-UHFFFAOYSA-N 2 0 325.413 -0.847 20 0 EBADRP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC001353193338 832415858 /nfs/dbraw/zinc/41/58/58/832415858.db2.gz GXPLDHOYFMFSLT-HDJSIYSDSA-N 2 0 340.468 -0.201 20 0 EBADRP CC[NH+](CC)[C@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC)C(C)C ZINC001168667262 832431332 /nfs/dbraw/zinc/43/13/32/832431332.db2.gz QQSYSZMDBAXPIK-AWEZNQCLSA-N 2 0 343.472 -0.096 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001168763958 832435918 /nfs/dbraw/zinc/43/59/18/832435918.db2.gz VNMYCHZFBOVURX-CYBMUJFWSA-N 2 0 343.472 -0.983 20 0 EBADRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCN1CCN(S(C)(=O)=O)CC1)C2 ZINC001169100043 832448386 /nfs/dbraw/zinc/44/83/86/832448386.db2.gz FEHOQMMPUOITOL-QDMKHBRRSA-N 2 0 330.498 -0.222 20 0 EBADRP CC(=O)NCCOCC[NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001169127329 832449936 /nfs/dbraw/zinc/44/99/36/832449936.db2.gz LWUBYLKGNAQROF-UHFFFAOYSA-N 2 0 342.484 -0.033 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCCC[NH2+]CCN2CCCC2=O)CC1 ZINC001169530392 832466157 /nfs/dbraw/zinc/46/61/57/832466157.db2.gz ATQJVMUXOMVEOE-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCCC[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001169541870 832466590 /nfs/dbraw/zinc/46/65/90/832466590.db2.gz QQMWLWXXMMJOBL-CQSZACIVSA-N 2 0 326.441 -0.528 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCCC[NH2+]CC(=O)NCC2CC2)CC1 ZINC001169541819 832466715 /nfs/dbraw/zinc/46/67/15/832466715.db2.gz PBRXTNHCDIVXOR-UHFFFAOYSA-N 2 0 340.468 -0.281 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCCC[NH2+]CC(=O)NC2CC2)CC1 ZINC001169541208 832466940 /nfs/dbraw/zinc/46/69/40/832466940.db2.gz GEEPFNPOMFZQCH-UHFFFAOYSA-N 2 0 326.441 -0.528 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169810848 832477127 /nfs/dbraw/zinc/47/71/27/832477127.db2.gz RYFISIBDILMMSK-OLZOCXBDSA-N 2 0 341.456 -0.199 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169810847 832477263 /nfs/dbraw/zinc/47/72/63/832477263.db2.gz RYFISIBDILMMSK-CHWSQXEVSA-N 2 0 341.456 -0.199 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001169957409 832483134 /nfs/dbraw/zinc/48/31/34/832483134.db2.gz BXVWYUNBECYPSK-LBPRGKRZSA-N 2 0 341.456 -0.214 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]C[C@@H](O)CO[C@H](C)COC ZINC001170222436 832493226 /nfs/dbraw/zinc/49/32/26/832493226.db2.gz JHHWEBWOUUXNDK-HUUCEWRRSA-N 2 0 333.473 -0.164 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)NC(=O)COCC[NH+](C)C ZINC001354530245 832498171 /nfs/dbraw/zinc/49/81/71/832498171.db2.gz BBRYTVDMIBKHOV-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH+](C)CCOCC(=O)NC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001354861287 832527738 /nfs/dbraw/zinc/52/77/38/832527738.db2.gz NROBWCJTCBTTDR-OAHLLOKOSA-N 2 0 340.468 -0.375 20 0 EBADRP C[NH+](C)[C@@](C)(C(=O)NCCC[NH2+]CC(=O)NC(N)=O)c1ccccc1 ZINC001170819741 832528229 /nfs/dbraw/zinc/52/82/29/832528229.db2.gz OQKXFLDBQHXRHZ-QGZVFWFLSA-N 2 0 349.435 -0.246 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]C[C@@H](O)CC(F)(F)F ZINC001171205179 832550309 /nfs/dbraw/zinc/55/03/09/832550309.db2.gz PLBVFGHGNRNAQF-NSHDSACASA-N 2 0 329.363 -0.026 20 0 EBADRP COC[C@@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171205619 832550769 /nfs/dbraw/zinc/55/07/69/832550769.db2.gz UZLLGKVPHMBBEX-HUUCEWRRSA-N 2 0 349.472 -0.927 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CCOC[C@H]1CCCO1 ZINC001171216378 832551229 /nfs/dbraw/zinc/55/12/29/832551229.db2.gz HKXSSAHQUWCHDQ-OAHLLOKOSA-N 2 0 331.457 -0.144 20 0 EBADRP COCCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171228092 832552114 /nfs/dbraw/zinc/55/21/14/832552114.db2.gz RRXHEMCJFGJHDW-GJZGRUSLSA-N 2 0 342.484 -0.035 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171226206 832552150 /nfs/dbraw/zinc/55/21/50/832552150.db2.gz DCOXNJDEUNDSAI-CYBMUJFWSA-N 2 0 334.486 -0.637 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171218783 832552718 /nfs/dbraw/zinc/55/27/18/832552718.db2.gz TWFWCHMDCRDBFP-AWEZNQCLSA-N 2 0 328.457 -0.423 20 0 EBADRP C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001171873665 832577571 /nfs/dbraw/zinc/57/75/71/832577571.db2.gz TULJWTVQJKBILL-PEUXKQIOSA-N 2 0 338.452 -0.401 20 0 EBADRP Cn1ncc2c1nc(C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1)[nH]c2=O ZINC001176048828 832654255 /nfs/dbraw/zinc/65/42/55/832654255.db2.gz BSJHINRGBFCPRG-NSHDSACASA-N 2 0 347.423 -0.384 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)C1 ZINC001176056567 832654432 /nfs/dbraw/zinc/65/44/32/832654432.db2.gz GYUFSGVELCCKTO-LBPRGKRZSA-N 2 0 341.456 -0.342 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCCO2)C1 ZINC001176072362 832655942 /nfs/dbraw/zinc/65/59/42/832655942.db2.gz QTYVJJJVBYIEPT-KBPBESRZSA-N 2 0 326.441 -0.671 20 0 EBADRP O=C(C[NH2+]CCCNC(=O)C[NH+]1CCCC1)Nc1nncs1 ZINC001176102796 832657313 /nfs/dbraw/zinc/65/73/13/832657313.db2.gz LZCZVFHMIPCHLL-UHFFFAOYSA-N 2 0 326.426 -0.332 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)C[NH+]2CCCC2)CCO1 ZINC001176110550 832658065 /nfs/dbraw/zinc/65/80/65/832658065.db2.gz WTNRWWKDJLIJPM-CQSZACIVSA-N 2 0 326.441 -0.575 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCCNC(=O)C[NH+]2CCCC2)n(C)n1 ZINC001176118352 832658143 /nfs/dbraw/zinc/65/81/43/832658143.db2.gz NKXJFHQBSMWOAX-UHFFFAOYSA-N 2 0 336.440 -0.141 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C ZINC001176161770 832660114 /nfs/dbraw/zinc/66/01/14/832660114.db2.gz RNSNIBSYBNFHCZ-ZIAGYGMSSA-N 2 0 328.457 -0.473 20 0 EBADRP CCCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176160425 832660128 /nfs/dbraw/zinc/66/01/28/832660128.db2.gz FBAWLSPLCNNMNF-GJZGRUSLSA-N 2 0 342.484 -0.035 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001176161027 832660176 /nfs/dbraw/zinc/66/01/76/832660176.db2.gz LXHNYFDVMINFRT-AWEZNQCLSA-N 2 0 341.456 -0.924 20 0 EBADRP CC(C)NC(=O)C[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176168307 832660864 /nfs/dbraw/zinc/66/08/64/832660864.db2.gz AYPCPQDGEQFSLV-CQSZACIVSA-N 2 0 328.457 -0.425 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001176857419 832696158 /nfs/dbraw/zinc/69/61/58/832696158.db2.gz WDINIJYQJUHBDF-OKILXGFUSA-N 2 0 348.513 -0.106 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001176972307 832722275 /nfs/dbraw/zinc/72/22/75/832722275.db2.gz VUXCAAWTFVYHIZ-AWEZNQCLSA-N 2 0 348.513 -0.296 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001176986283 832726006 /nfs/dbraw/zinc/72/60/06/832726006.db2.gz JNVYNFUUDXEBMO-HZPDHXFCSA-N 2 0 345.484 -0.021 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC001176986284 832726215 /nfs/dbraw/zinc/72/62/15/832726215.db2.gz JNVYNFUUDXEBMO-JKSUJKDBSA-N 2 0 345.484 -0.021 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178357126 832853221 /nfs/dbraw/zinc/85/32/21/832853221.db2.gz WSOTYXVRMJSACM-SDDRHHMPSA-N 2 0 325.413 -0.885 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O)CC[N@@H+]1C ZINC001178518627 832875522 /nfs/dbraw/zinc/87/55/22/832875522.db2.gz STYVYFREEQRGLL-CHWSQXEVSA-N 2 0 341.456 -0.212 20 0 EBADRP CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)[C@@H]1C)[NH+](C)C ZINC001178985410 832938256 /nfs/dbraw/zinc/93/82/56/832938256.db2.gz IDZZBWAILLUASY-NOOOWODRSA-N 2 0 327.429 -0.511 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)[C@@H]1C)[NH+](C)C ZINC001179553961 832988216 /nfs/dbraw/zinc/98/82/16/832988216.db2.gz IDZZBWAILLUASY-BJDJZHNGSA-N 2 0 327.429 -0.511 20 0 EBADRP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001212430469 837681469 /nfs/dbraw/zinc/68/14/69/837681469.db2.gz OJLVPBVYVIJBJY-BZUAXINKSA-N 2 0 343.468 -0.315 20 0 EBADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@H]1OC)[NH+](C)C ZINC001212463074 837690333 /nfs/dbraw/zinc/69/03/33/837690333.db2.gz QPKUOUGGGOAUKX-RBSFLKMASA-N 2 0 331.457 -0.195 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001187106859 833900902 /nfs/dbraw/zinc/90/09/02/833900902.db2.gz OPWUITVHUBQRKF-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP COCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187121785 833903059 /nfs/dbraw/zinc/90/30/59/833903059.db2.gz LKQFPSOEBJVZKF-HUUCEWRRSA-N 2 0 341.452 -0.703 20 0 EBADRP CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)C1=O ZINC001187121779 833903163 /nfs/dbraw/zinc/90/31/63/833903163.db2.gz LJHYYTVGRAGCJI-ZIAGYGMSSA-N 2 0 326.441 -0.624 20 0 EBADRP CC[C@H](C)NC(=O)C[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115532 833903266 /nfs/dbraw/zinc/90/32/66/833903266.db2.gz KYSKTWSUBBMMIO-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187122475 833903999 /nfs/dbraw/zinc/90/39/99/833903999.db2.gz UDMITYCHJNIKFN-CYBMUJFWSA-N 2 0 344.481 -0.788 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187127456 833905352 /nfs/dbraw/zinc/90/53/52/833905352.db2.gz UKTRWPZIRVQVPC-VXGBXAGGSA-N 2 0 337.424 -0.883 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001187240839 833912526 /nfs/dbraw/zinc/91/25/26/833912526.db2.gz OOBLPXWLCGQEDR-CYBMUJFWSA-N 2 0 341.456 -0.246 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCO[C@@H](C)C2)C1 ZINC001187321964 833919569 /nfs/dbraw/zinc/91/95/69/833919569.db2.gz JVMPTYQLKQTNFO-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001187851363 833973405 /nfs/dbraw/zinc/97/34/05/833973405.db2.gz QHXDZRXVFKVHIS-UONOGXRCSA-N 2 0 326.441 -0.719 20 0 EBADRP CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001187851365 833973863 /nfs/dbraw/zinc/97/38/63/833973863.db2.gz QHXDZRXVFKVHIS-ZIAGYGMSSA-N 2 0 326.441 -0.719 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213368486 837757311 /nfs/dbraw/zinc/75/73/11/837757311.db2.gz CFTMLRCQQCOUSV-RBSFLKMASA-N 2 0 329.441 -0.849 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@H](C)C(=O)NC(=O)NC)C1 ZINC001193280720 834826368 /nfs/dbraw/zinc/82/63/68/834826368.db2.gz XKKHLWCVPDYZRI-CHWSQXEVSA-N 2 0 341.456 -0.295 20 0 EBADRP C[C@@H](C(=O)N(C)C)[N@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488172 834887979 /nfs/dbraw/zinc/88/79/79/834887979.db2.gz LQQMJGQTGXDXRJ-KBPBESRZSA-N 2 0 328.457 -0.426 20 0 EBADRP COCC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213638260 837827824 /nfs/dbraw/zinc/82/78/24/837827824.db2.gz GRMJOCWCABCHJN-HUUCEWRRSA-N 2 0 329.441 -0.441 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001194039049 835003773 /nfs/dbraw/zinc/00/37/73/835003773.db2.gz LXQLQTGINUVVOB-RBSFLKMASA-N 2 0 341.452 -0.969 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001194729067 835143566 /nfs/dbraw/zinc/14/35/66/835143566.db2.gz OGMVPTNPJWALTL-RBSFLKMASA-N 2 0 334.376 -0.884 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCCO[C@H]2CCOC2)C[C@H]1O ZINC001197048515 835498073 /nfs/dbraw/zinc/49/80/73/835498073.db2.gz CPVHDYMERPGMHD-ARFHVFGLSA-N 2 0 343.468 -0.315 20 0 EBADRP CC(C)[C@H](C(=O)N1CCCN(CCNS(C)(=O)=O)CC1)[NH+](C)C ZINC001197048197 835498448 /nfs/dbraw/zinc/49/84/48/835498448.db2.gz AAMVIJBNCLZPFF-CQSZACIVSA-N 2 0 348.513 -0.344 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(CCOC[C@@H]2CCCO2)C[C@H]1O ZINC001197048536 835498821 /nfs/dbraw/zinc/49/88/21/835498821.db2.gz CQJDKTZAZGCRSL-ARFHVFGLSA-N 2 0 343.468 -0.315 20 0 EBADRP COCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319470 835536896 /nfs/dbraw/zinc/53/68/96/835536896.db2.gz IXIODJMMWVOPNJ-HUUCEWRRSA-N 2 0 329.441 -0.705 20 0 EBADRP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197320371 835537100 /nfs/dbraw/zinc/53/71/00/835537100.db2.gz YKCDKIKMTBYHRH-HUUCEWRRSA-N 2 0 329.441 -0.705 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001197536652 835574716 /nfs/dbraw/zinc/57/47/16/835574716.db2.gz YNVXYRINXCKLKI-RRFJBIMHSA-N 2 0 340.468 -0.594 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[NH+](C[C@@H](O)COCCOC)CC1 ZINC001197922217 835622456 /nfs/dbraw/zinc/62/24/56/835622456.db2.gz NNBUQFCECDIDHL-MRXNPFEDSA-N 2 0 345.484 -0.114 20 0 EBADRP CN1CCN(c2cnccc2C(=O)N(CCCC[NH3+])C(N)=[NH2+])CC1 ZINC001198152990 835648307 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329.441 -0.703 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001200479247 835973048 /nfs/dbraw/zinc/97/30/48/835973048.db2.gz OWJVKFVVEICXQV-UONOGXRCSA-N 2 0 326.441 -0.448 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CCCO[C@H](C[NH2+]CCO)C2)n1 ZINC001200528449 835980776 /nfs/dbraw/zinc/98/07/76/835980776.db2.gz LCJDQRQDLKKJDP-CQSZACIVSA-N 2 0 339.440 -0.742 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001200635890 835999871 /nfs/dbraw/zinc/99/98/71/835999871.db2.gz XGMRENQLMATDMI-UONOGXRCSA-N 2 0 326.441 -0.447 20 0 EBADRP O=C([C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC([NH2+]CCOCCO)CC1 ZINC001200657774 836010743 /nfs/dbraw/zinc/01/07/43/836010743.db2.gz BCKZQBNMLFTATL-HZPDHXFCSA-N 2 0 341.452 -0.561 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1 ZINC001200703283 836019922 /nfs/dbraw/zinc/01/99/22/836019922.db2.gz AXRUDAPRKVVJLU-UKRRQHHQSA-N 2 0 340.468 -0.188 20 0 EBADRP COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1 ZINC001200704722 836020148 /nfs/dbraw/zinc/02/01/48/836020148.db2.gz PJNNVPIQDFTJKS-HOTGVXAUSA-N 2 0 343.468 -0.315 20 0 EBADRP CC[C@H](C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC2CC2)C1)[NH+](C)C ZINC001200794398 836035358 /nfs/dbraw/zinc/03/53/58/836035358.db2.gz CBRKKFYIMFLTFI-LSDHHAIUSA-N 2 0 340.468 -0.188 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200806826 836036820 /nfs/dbraw/zinc/03/68/20/836036820.db2.gz RPBPPKSQXPROPR-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200806539 836038276 /nfs/dbraw/zinc/03/82/76/836038276.db2.gz RPBPPKSQXPROPR-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CCCO[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001200852356 836048233 /nfs/dbraw/zinc/04/82/33/836048233.db2.gz ZFIMPGXODGZDCM-CHWSQXEVSA-N 2 0 328.457 -0.202 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CCCO[C@@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001200852365 836048787 /nfs/dbraw/zinc/04/87/87/836048787.db2.gz ZFIMPGXODGZDCM-STQMWFEESA-N 2 0 328.457 -0.202 20 0 EBADRP C[C@H]([NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001201053870 836086549 /nfs/dbraw/zinc/08/65/49/836086549.db2.gz ZVKJZEUIPMOVIX-GWCFXTLKSA-N 2 0 339.440 -0.509 20 0 EBADRP NC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCCO1 ZINC001201062118 836086585 /nfs/dbraw/zinc/08/65/85/836086585.db2.gz IDWMOHBYTJVVIB-GOEBONIOSA-N 2 0 338.452 -0.447 20 0 EBADRP CC[C@@H]([NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCCO1)C(N)=O ZINC001201259515 836118936 /nfs/dbraw/zinc/11/89/36/836118936.db2.gz ARUJKAHYQBXJSJ-UONOGXRCSA-N 2 0 340.468 -0.201 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001201267368 836119864 /nfs/dbraw/zinc/11/98/64/836119864.db2.gz MUANJEUQYQTJLQ-LBPRGKRZSA-N 2 0 325.413 -0.754 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CCCO[C@@H](C[NH2+]CCOCCO)C2)CC1 ZINC001201262957 836119907 /nfs/dbraw/zinc/11/99/07/836119907.db2.gz WMGCFIXCWQFEHX-HNNXBMFYSA-N 2 0 343.468 -0.456 20 0 EBADRP Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201277398 836121895 /nfs/dbraw/zinc/12/18/95/836121895.db2.gz QYYDDWWXXAMFPS-OAHLLOKOSA-N 2 0 338.456 -0.136 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCCO[C@@H](C[NH2+]CCOCCO)C1 ZINC001201276413 836122297 /nfs/dbraw/zinc/12/22/97/836122297.db2.gz HRYSZGFNCNKICD-HNNXBMFYSA-N 2 0 331.457 -0.456 20 0 EBADRP C[C@@H]([NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1)C(=O)N(C)C ZINC001201334608 836131177 /nfs/dbraw/zinc/13/11/77/836131177.db2.gz KMKIIJJGRHTOLQ-KGLIPLIRSA-N 2 0 328.457 -0.378 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CCCO1 ZINC001201404880 836140694 /nfs/dbraw/zinc/14/06/94/836140694.db2.gz ZADTXKXUSYHRHB-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)CCCO1 ZINC001201403429 836141056 /nfs/dbraw/zinc/14/10/56/836141056.db2.gz LOUPASBSFQHTRT-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@H+](CC(=O)N1CCCO[C@@H](C[NH2+]CC(N)=O)C1)CC(C)(C)C ZINC001201418550 836143554 /nfs/dbraw/zinc/14/35/54/836143554.db2.gz BDQQZLACVNQTMW-ZDUSSCGKSA-N 2 0 328.457 -0.343 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCCO[C@H](C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001201679072 836174727 /nfs/dbraw/zinc/17/47/27/836174727.db2.gz RXANOVOVXQBUJJ-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001201864270 836207700 /nfs/dbraw/zinc/20/77/00/836207700.db2.gz VBTZYMISMQQIFM-UONOGXRCSA-N 2 0 326.441 -0.719 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001201930568 836215796 /nfs/dbraw/zinc/21/57/96/836215796.db2.gz DGBKUAYNXGVZLH-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001202165608 836267202 /nfs/dbraw/zinc/26/72/02/836267202.db2.gz SALIKLMZFQASQF-KGLIPLIRSA-N 2 0 326.441 -0.578 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001202217426 836276870 /nfs/dbraw/zinc/27/68/70/836276870.db2.gz ODEJOPXVKRTEQK-UHFFFAOYSA-N 2 0 341.456 -0.246 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202316325 836291234 /nfs/dbraw/zinc/29/12/34/836291234.db2.gz WFIKHHMOAUQCAH-LBPRGKRZSA-N 2 0 341.456 -0.247 20 0 EBADRP CC[C@H](C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1)[NH+](CC)CC ZINC001202472780 836305074 /nfs/dbraw/zinc/30/50/74/836305074.db2.gz CPMZDHBULSXBAE-CYBMUJFWSA-N 2 0 341.456 -0.118 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]CCS(C)(=O)=O)CC1 ZINC001202503392 836307689 /nfs/dbraw/zinc/30/76/89/836307689.db2.gz MIUXKGOECYKFRT-TZMCWYRMSA-N 2 0 331.482 -0.191 20 0 EBADRP C[C@H]([NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1)C(=O)NC(N)=O ZINC001202504690 836308484 /nfs/dbraw/zinc/30/84/84/836308484.db2.gz VPDIOOBZPQQSBB-NEPJUHHUSA-N 2 0 339.440 -0.508 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001202504585 836308774 /nfs/dbraw/zinc/30/87/74/836308774.db2.gz USDIAGWUWCDMEM-DGCLKSJQSA-N 2 0 339.440 -0.780 20 0 EBADRP CC[C@@H](C(=O)N1CCC([NH2+]C[C@H](O)COCCOC)CC1)[NH+](C)C ZINC001202531542 836311220 /nfs/dbraw/zinc/31/12/20/836311220.db2.gz JALFGVUSDMGFPU-HOTGVXAUSA-N 2 0 345.484 -0.069 20 0 EBADRP CC[C@@H](C(=O)N1CCC([NH2+]CCNS(=O)(=O)CC)CC1)[NH+](C)C ZINC001202531758 836312029 /nfs/dbraw/zinc/31/20/29/836312029.db2.gz NZRLMFPDIXNBHW-AWEZNQCLSA-N 2 0 348.513 -0.154 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC([NH2+][C@@H](C)C(=O)NC(N)=O)CC1 ZINC001203214945 836407583 /nfs/dbraw/zinc/40/75/83/836407583.db2.gz PHVGLKSBGYPXSR-NSHDSACASA-N 2 0 327.429 -0.508 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC([NH2+]CCS(C)(=O)=O)CC2)C1 ZINC001203337753 836422606 /nfs/dbraw/zinc/42/26/06/836422606.db2.gz SMTZEBRJBSMAHG-CYBMUJFWSA-N 2 0 331.482 -0.047 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CCN(C(=O)CCCC[NH+](C)C)CC2)nc1=O ZINC001203407813 836427831 /nfs/dbraw/zinc/42/78/31/836427831.db2.gz QLYGHWOGPNTQGK-UHFFFAOYSA-N 2 0 338.456 -0.079 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC([NH2+][C@H](C)C(=O)NC(N)=O)CC1 ZINC001203442223 836431836 /nfs/dbraw/zinc/43/18/36/836431836.db2.gz HHIOXDGIYNFUJX-LLVKDONJSA-N 2 0 327.429 -0.508 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC([NH2+]CCNS(=O)(=O)CC)CC1 ZINC001203460051 836433863 /nfs/dbraw/zinc/43/38/63/836433863.db2.gz MGNVDZMFFSTCJF-UHFFFAOYSA-N 2 0 348.513 -0.152 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001203699100 836463146 /nfs/dbraw/zinc/46/31/46/836463146.db2.gz GVGDCJBPOAROHV-NWDGAFQWSA-N 2 0 339.440 -0.637 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC([NH2+]CC(=O)N(C)C)CC1 ZINC001203709055 836465236 /nfs/dbraw/zinc/46/52/36/836465236.db2.gz JLQHYFKWGQTZJO-AWEZNQCLSA-N 2 0 340.468 -0.377 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001203924534 836488833 /nfs/dbraw/zinc/48/88/33/836488833.db2.gz BRXWMUMUAKHSOE-INIZCTEOSA-N 2 0 345.484 -0.069 20 0 EBADRP C[C@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(=O)NC(N)=O ZINC001204798943 836530141 /nfs/dbraw/zinc/53/01/41/836530141.db2.gz PERJYUDASWXFHT-AAEUAGOBSA-N 2 0 339.440 -0.508 20 0 EBADRP CC[C@H](C(=O)N1CCC(C[NH2+]CC(=O)NC(=O)NC)CC1)[NH+](C)C ZINC001205516045 836574457 /nfs/dbraw/zinc/57/44/57/836574457.db2.gz MGDWCCOPCKUHDY-CYBMUJFWSA-N 2 0 341.456 -0.390 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC(C[NH2+]CCN2CCNC2=O)CC1 ZINC001206152061 836626774 /nfs/dbraw/zinc/62/67/74/836626774.db2.gz BAJYLRAHUNBMOT-UHFFFAOYSA-N 2 0 325.457 -0.209 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC(C[NH2+]CCNS(C)(=O)=O)CC1 ZINC001206653431 836665893 /nfs/dbraw/zinc/66/58/93/836665893.db2.gz CTEFZSZYLDMIHL-UHFFFAOYSA-N 2 0 348.513 -0.294 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH2+]CCNS(C)(=O)=O)CC1 ZINC001206954717 836728080 /nfs/dbraw/zinc/72/80/80/836728080.db2.gz TXBHUFFGYNNABT-UHFFFAOYSA-N 2 0 348.513 -0.296 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1)C(=O)NC(N)=O ZINC001208340762 837000767 /nfs/dbraw/zinc/00/07/67/837000767.db2.gz PEYWEQLBTPQRJF-VXGBXAGGSA-N 2 0 339.440 -0.365 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001208340577 837001786 /nfs/dbraw/zinc/00/17/86/837001786.db2.gz MTTRHYBKIQIGAF-GFCCVEGCSA-N 2 0 339.440 -0.493 20 0 EBADRP CNC(=O)C[NH2+][C@H]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001208414030 837026769 /nfs/dbraw/zinc/02/67/69/837026769.db2.gz GHTXSCVPHYSETG-AWEZNQCLSA-N 2 0 340.468 -0.329 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001208414775 837027236 /nfs/dbraw/zinc/02/72/36/837027236.db2.gz XMWBENJEDBMERH-QWHCGFSZSA-N 2 0 341.456 -0.247 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001208448392 837042872 /nfs/dbraw/zinc/04/28/72/837042872.db2.gz ZNAHDVJUVAVZSY-NEPJUHHUSA-N 2 0 341.456 -0.119 20 0 EBADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1C)[NH+](C)C ZINC001208699839 837100459 /nfs/dbraw/zinc/10/04/59/837100459.db2.gz WAGGCWRGRVDJPX-BMFZPTHFSA-N 2 0 342.484 -0.084 20 0 EBADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)CCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001209314919 837155821 /nfs/dbraw/zinc/15/58/21/837155821.db2.gz MPDFPIMZFNEJEF-RYUDHWBXSA-N 2 0 327.429 -0.508 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CCS(C)(=O)=O)C2)CC1 ZINC001209408574 837163814 /nfs/dbraw/zinc/16/38/14/837163814.db2.gz RWRYWIYXRZJFQK-AWEZNQCLSA-N 2 0 331.482 -0.047 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001209443741 837166168 /nfs/dbraw/zinc/16/61/68/837166168.db2.gz APZKLUPNNGRXEU-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP COCCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209445719 837167603 /nfs/dbraw/zinc/16/76/03/837167603.db2.gz OOYREMWTTWIUHO-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C[C@H](O)COCCOC)C[C@H]1C ZINC001209634539 837183459 /nfs/dbraw/zinc/18/34/59/837183459.db2.gz FSALYPBRZFFWFF-OWCLPIDISA-N 2 0 345.484 -0.211 20 0 EBADRP CC[C@@H](C(N)=O)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209836147 837204407 /nfs/dbraw/zinc/20/44/07/837204407.db2.gz HAXSZAYKQBRTRB-YUELXQCFSA-N 2 0 340.468 -0.202 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001210219829 837257475 /nfs/dbraw/zinc/25/74/75/837257475.db2.gz UNEJBSBRBAXWTD-NEPJUHHUSA-N 2 0 327.429 -0.508 20 0 EBADRP COC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001210338527 837273255 /nfs/dbraw/zinc/27/32/55/837273255.db2.gz FDIIJEZGETXNBW-GJZGRUSLSA-N 2 0 343.468 -0.315 20 0 EBADRP CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001210338751 837273593 /nfs/dbraw/zinc/27/35/93/837273593.db2.gz IMIXZWQNWWGKJD-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001210493715 837289927 /nfs/dbraw/zinc/28/99/27/837289927.db2.gz OALKJCWOBCGLGY-RYUDHWBXSA-N 2 0 327.429 -0.508 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CCNS(=O)(=O)CC)C1 ZINC001210493893 837290817 /nfs/dbraw/zinc/29/08/17/837290817.db2.gz OUXHPFRHBNFZQL-AWEZNQCLSA-N 2 0 348.513 -0.152 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001210674156 837315263 /nfs/dbraw/zinc/31/52/63/837315263.db2.gz OCXSGOACYITEFF-VXGBXAGGSA-N 2 0 325.413 -0.896 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC[C@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001210684509 837319624 /nfs/dbraw/zinc/31/96/24/837319624.db2.gz HYIOFGYJADYMOG-AWEZNQCLSA-N 2 0 349.497 -0.420 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001210810895 837332485 /nfs/dbraw/zinc/33/24/85/837332485.db2.gz GQJPIWZLGAEDGH-VXGBXAGGSA-N 2 0 327.429 -0.508 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC)C1 ZINC001210810827 837334320 /nfs/dbraw/zinc/33/43/20/837334320.db2.gz DVYVYWJKMRXUEP-OLZOCXBDSA-N 2 0 341.456 -0.247 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001210810670 837334485 /nfs/dbraw/zinc/33/44/85/837334485.db2.gz CCXBHWPRMADGGZ-ZDUSSCGKSA-N 2 0 339.440 -0.539 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211090654 837383971 /nfs/dbraw/zinc/38/39/71/837383971.db2.gz KOXGMDMVVDTNEX-UONOGXRCSA-N 2 0 326.441 -0.719 20 0 EBADRP CO[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213729962 837854270 /nfs/dbraw/zinc/85/42/70/837854270.db2.gz ADQLUSRYWPNSKN-ARFHVFGLSA-N 2 0 343.468 -0.193 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213914647 837900452 /nfs/dbraw/zinc/90/04/52/837900452.db2.gz PVKHHOIHYTYKLG-BZUAXINKSA-N 2 0 343.468 -0.315 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1C[NH2+]CCN1CCNC1=O ZINC001319070067 838067091 /nfs/dbraw/zinc/06/70/91/838067091.db2.gz XNJWXRLICVRZFC-HZPDHXFCSA-N 2 0 349.479 -0.066 20 0 EBADRP C[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC001319716606 838171265 /nfs/dbraw/zinc/17/12/65/838171265.db2.gz IOLFSIWPHFJDFZ-HUUCEWRRSA-N 2 0 337.468 -0.114 20 0 EBADRP CC[C@@H](C(=O)N(C)CC[N@H+](C)CCN1C(=O)CNC1=O)[NH+](C)C ZINC001320049693 838219244 /nfs/dbraw/zinc/21/92/44/838219244.db2.gz OZCZQTUYZYIKEU-LBPRGKRZSA-N 2 0 327.429 -0.731 20 0 EBADRP CC(C)(C(=O)NC[C@@H](O)C[NH2+]CCn1cncn1)[NH+]1CCCCC1 ZINC001320218571 838713682 /nfs/dbraw/zinc/71/36/82/838713682.db2.gz UBQHGCVWKJSYCY-AWEZNQCLSA-N 2 0 338.456 -0.391 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCN2CCCC2=O)CC[N@@H+]1C ZINC001320262938 838735893 /nfs/dbraw/zinc/73/58/93/838735893.db2.gz KKHZRQGCEXIWOA-KKUMJFAQSA-N 2 0 340.468 -0.594 20 0 EBADRP C[C@@H](CC[NH2+]Cc1nc(=O)n(C)[nH]1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001320518440 838783010 /nfs/dbraw/zinc/78/30/10/838783010.db2.gz RVRHHNVJNUJDJI-LBPRGKRZSA-N 2 0 338.456 -0.033 20 0 EBADRP O=C(NC/C=C/C[NH2+]CCN1CCNC1=O)C12CCC[NH+]1CCC2 ZINC001321141752 838920795 /nfs/dbraw/zinc/92/07/95/838920795.db2.gz OSELZGVCOPRXDH-OWOJBTEDSA-N 2 0 335.452 -0.098 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001321394084 838981699 /nfs/dbraw/zinc/98/16/99/838981699.db2.gz VJWCBASNYSHTJE-AAAGKOELSA-N 2 0 339.440 -0.566 20 0 EBADRP C[C@H](C[NH2+]CCN(C)S(C)(=O)=O)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001321710984 839059158 /nfs/dbraw/zinc/05/91/58/839059158.db2.gz WXIKLWMMZDLXAY-OLZOCXBDSA-N 2 0 334.486 -0.686 20 0 EBADRP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCN1CCNC1=O ZINC001321841474 839085047 /nfs/dbraw/zinc/08/50/47/839085047.db2.gz AOURYRREIZNQTM-KBPBESRZSA-N 2 0 325.457 -0.021 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001322240670 839160735 /nfs/dbraw/zinc/16/07/35/839160735.db2.gz HMHWRZRMVPKUCD-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001322240671 839161197 /nfs/dbraw/zinc/16/11/97/839161197.db2.gz HMHWRZRMVPKUCD-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP CN(CCC[NH2+]CC(=O)NC(N)=O)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001322567058 839204587 /nfs/dbraw/zinc/20/45/87/839204587.db2.gz VMJXTQKEDSTJTO-STQMWFEESA-N 2 0 339.440 -0.364 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC001322731368 839246031 /nfs/dbraw/zinc/24/60/31/839246031.db2.gz BERXPIZVWTUKHR-RRFJBIMHSA-N 2 0 337.468 -0.909 20 0 EBADRP O=C(N[C@H](C[NH2+][C@H]1CCC(=O)NC1=O)C1CC1)C12CC[NH+](CC1)C2 ZINC001323092674 839347569 /nfs/dbraw/zinc/34/75/69/839347569.db2.gz BLOVVWRKAFPXOV-QWHCGFSZSA-N 2 0 334.420 -0.628 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001323399901 839431576 /nfs/dbraw/zinc/43/15/76/839431576.db2.gz LAPFQHMPRFPRFB-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1COC(C)(C)O1 ZINC001323542353 839467782 /nfs/dbraw/zinc/46/77/82/839467782.db2.gz OKSUVNUGLBPBMG-ZDUSSCGKSA-N 2 0 344.456 -0.794 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCNS(C)(=O)=O ZINC001324181095 839602563 /nfs/dbraw/zinc/60/25/63/839602563.db2.gz NTLPIDQGGTUGEB-KGLIPLIRSA-N 2 0 346.497 -0.400 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001324936738 839737649 /nfs/dbraw/zinc/73/76/49/839737649.db2.gz HFXMUDRRQWPYHN-OAHLLOKOSA-N 3 0 341.500 -0.652 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1C(=O)CNC1=O ZINC001325454685 839868682 /nfs/dbraw/zinc/86/86/82/839868682.db2.gz ZZZQPTSQTHJBJT-ZDUSSCGKSA-N 2 0 339.440 -0.587 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]CCS(C)(=O)=O ZINC001325594642 839895121 /nfs/dbraw/zinc/89/51/21/839895121.db2.gz FHKDDRYDEXBLMB-KGLIPLIRSA-N 2 0 331.482 -0.189 20 0 EBADRP C[C@@H](O)C[NH2+]CCN(CCO)C(=O)[C@H]1COCCN1C1CCCC1 ZINC001326080137 840026574 /nfs/dbraw/zinc/02/65/74/840026574.db2.gz OPVQAGOGLXPDNN-GDBMZVCRSA-N 2 0 343.468 -0.579 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]CCN(CCO)C(=O)C1CC[NH+](C)CC1 ZINC001326085591 840027208 /nfs/dbraw/zinc/02/72/08/840027208.db2.gz GNFNREAIXZBNPE-UHFFFAOYSA-N 2 0 342.484 -0.395 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H](CC[NH2+]CC(N)=O)C2)n1 ZINC001326272878 840076543 /nfs/dbraw/zinc/07/65/43/840076543.db2.gz PPIGVLRZUAUYMF-CYBMUJFWSA-N 2 0 336.440 -0.628 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001326560235 840135624 /nfs/dbraw/zinc/13/56/24/840135624.db2.gz HITRCIAYHWZSBI-KKUMJFAQSA-N 2 0 340.468 -0.249 20 0 EBADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001326597910 840144812 /nfs/dbraw/zinc/14/48/12/840144812.db2.gz CVTCRYZVYLZYMW-MSOLQXFVSA-N 3 0 341.544 -0.542 20 0 EBADRP CON(C)C(=O)[C@H](CCSC)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001326598496 840146774 /nfs/dbraw/zinc/14/67/74/840146774.db2.gz FTZVULIXWZOGQC-KGLIPLIRSA-N 2 0 348.513 -0.674 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)cn1 ZINC001326847821 840217954 /nfs/dbraw/zinc/21/79/54/840217954.db2.gz UYGWVZCZTNRLNK-VIFPVBQESA-N 2 0 336.318 -0.611 20 0 EBADRP Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCO1 ZINC001327064061 840292300 /nfs/dbraw/zinc/29/23/00/840292300.db2.gz MEHDOBFCODQABU-OAHLLOKOSA-N 2 0 338.456 -0.136 20 0 EBADRP CN(CCC[N@H+](C)[C@@H]1CCC(=O)NC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001327258936 840344653 /nfs/dbraw/zinc/34/46/53/840344653.db2.gz WVPDMLBIAAHCGG-CQSZACIVSA-N 2 0 338.452 -0.086 20 0 EBADRP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC001327534097 840446408 /nfs/dbraw/zinc/44/64/08/840446408.db2.gz YNWGVALNQSHOSG-PBHICJAKSA-N 2 0 338.452 -0.447 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[NH+]2CCC[C@H]2C1 ZINC001327619935 840474994 /nfs/dbraw/zinc/47/49/94/840474994.db2.gz BHSSDVCDBLSTNN-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2COC[C@@]2(C)C1 ZINC001327669897 840489464 /nfs/dbraw/zinc/48/94/64/840489464.db2.gz AIBDQFYAHOZPNI-RHSMWYFYSA-N 2 0 340.468 -0.567 20 0 EBADRP [NH3+]CCCCCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001327846333 840533125 /nfs/dbraw/zinc/53/31/25/840533125.db2.gz IHOQYBKXPJMNLP-OAHLLOKOSA-N 2 0 340.468 -0.009 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC001328401000 840671023 /nfs/dbraw/zinc/67/10/23/840671023.db2.gz PXBXORSJMHMZGX-SJORKVTESA-N 3 0 328.501 -0.579 20 0 EBADRP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001328731927 840736952 /nfs/dbraw/zinc/73/69/52/840736952.db2.gz GKFLPXFJWNTBEX-HZSPNIEDSA-N 2 0 326.441 -0.530 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001328973237 840803515 /nfs/dbraw/zinc/80/35/15/840803515.db2.gz JNQWRPAUUVHCIJ-UONOGXRCSA-N 2 0 328.457 -0.330 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001328976057 840804850 /nfs/dbraw/zinc/80/48/50/840804850.db2.gz XCIKVRLYBOSXAS-KGLIPLIRSA-N 2 0 326.441 -0.712 20 0 EBADRP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)NCCCC[NH3+])CC1 ZINC001328988616 840810087 /nfs/dbraw/zinc/81/00/87/840810087.db2.gz NVKIYPKYRNMGBL-UHFFFAOYSA-N 2 0 326.441 -0.445 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC001329345576 840897786 /nfs/dbraw/zinc/89/77/86/840897786.db2.gz OFQDWUNASPEGOU-OKILXGFUSA-N 2 0 326.441 -0.672 20 0 EBADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC001329469096 840932128 /nfs/dbraw/zinc/93/21/28/840932128.db2.gz JZAJDAIOZHZYQM-UHFFFAOYSA-N 2 0 340.468 -0.057 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001329606881 840963564 /nfs/dbraw/zinc/96/35/64/840963564.db2.gz CYOPEWZDWWBDQH-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC001329611294 840964320 /nfs/dbraw/zinc/96/43/20/840964320.db2.gz ADSAZXITTDSGGP-ILXRZTDVSA-N 2 0 339.484 -0.724 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC001329883511 841052292 /nfs/dbraw/zinc/05/22/92/841052292.db2.gz GEJVJMKGBSRFER-JKSUJKDBSA-N 2 0 339.484 -0.526 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC001329990048 841084551 /nfs/dbraw/zinc/08/45/51/841084551.db2.gz PJKVSEQJHSXUAJ-UHFFFAOYSA-N 2 0 332.364 -0.442 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC001330005378 841089299 /nfs/dbraw/zinc/08/92/99/841089299.db2.gz ZPJVPOWPPZTLPW-UHFFFAOYSA-N 2 0 332.364 -0.313 20 0 EBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001330568290 841238124 /nfs/dbraw/zinc/23/81/24/841238124.db2.gz SAIFIFHYKSQHGX-KBPBESRZSA-N 2 0 337.468 -0.827 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001331104148 841336321 /nfs/dbraw/zinc/33/63/21/841336321.db2.gz QBSAKQGWUFQEOV-OCCSQVGLSA-N 2 0 326.441 -0.401 20 0 EBADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC001331138980 841351163 /nfs/dbraw/zinc/35/11/63/841351163.db2.gz FBALXWQTKBCJPD-YDHLFZDLSA-N 2 0 338.452 -0.401 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCOCC(F)(F)F ZINC001331687010 841459374 /nfs/dbraw/zinc/45/93/74/841459374.db2.gz YGLPRGXXDLLJLC-WDEREUQCSA-N 2 0 327.347 -0.274 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[NH+]2CCCC2)C1 ZINC001332045037 841558189 /nfs/dbraw/zinc/55/81/89/841558189.db2.gz CAKULTQSDFMMLO-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)NCC[C@H](C)[NH3+])CC1 ZINC001333180162 841814937 /nfs/dbraw/zinc/81/49/37/841814937.db2.gz YDTLKFBEYFLNEL-LBPRGKRZSA-N 2 0 328.457 -0.155 20 0 EBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC001333363353 841858791 /nfs/dbraw/zinc/85/87/91/841858791.db2.gz NLEQEHJSWBKSHA-MGPQQGTHSA-N 2 0 326.441 -0.448 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC001333437756 841878427 /nfs/dbraw/zinc/87/84/27/841878427.db2.gz GSWJGINUEJFDPM-MJBXVCDLSA-N 2 0 326.441 -0.591 20 0 EBADRP O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001333912678 841965109 /nfs/dbraw/zinc/96/51/09/841965109.db2.gz LZHITDCADFWXEW-ZQDZILKHSA-N 2 0 336.436 -0.947 20 0 EBADRP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC001334198888 842010008 /nfs/dbraw/zinc/01/00/08/842010008.db2.gz TWIKDLJPGUYWLI-KKUMJFAQSA-N 2 0 337.468 -0.081 20 0 EBADRP C[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001334953999 842154379 /nfs/dbraw/zinc/15/43/79/842154379.db2.gz WAMJUPARNZUODS-MELADBBJSA-N 2 0 331.482 -0.013 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001335184434 842217287 /nfs/dbraw/zinc/21/72/87/842217287.db2.gz NLEQRNQUSXIFSB-VNHYZAJKSA-N 2 0 338.452 -0.672 20 0 EBADRP [NH3+]CC[C@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC001335214580 842227708 /nfs/dbraw/zinc/22/77/08/842227708.db2.gz AIPMABYEGZJGNP-DZGCQCFKSA-N 2 0 338.452 -0.447 20 0 EBADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)NCCCC[NH+]1CCOCC1)C2 ZINC001335220028 842230510 /nfs/dbraw/zinc/23/05/10/842230510.db2.gz ATNHACBZVOVHNP-ZNMIVQPWSA-N 2 0 338.452 -0.447 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NCCCCCN2CC[NH2+]CC2)CCO1 ZINC001335626832 842318857 /nfs/dbraw/zinc/31/88/57/842318857.db2.gz CCTHAKKNLAFQRO-LSDHHAIUSA-N 2 0 327.473 -0.181 20 0 EBADRP C[N@H+]1C[C@H]2CN(C(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)C[C@H]2C1 ZINC001336735635 842537677 /nfs/dbraw/zinc/53/76/77/842537677.db2.gz NPEDILUYBVHYMH-SOUVJXGZSA-N 2 0 337.468 -0.223 20 0 EBADRP C[N@@H+]1CC[C@](O)(CNC(=O)NCCCCCN2CC[NH2+]CC2)C1 ZINC001336943233 842562801 /nfs/dbraw/zinc/56/28/01/842562801.db2.gz VCZREDYUKWJJFR-INIZCTEOSA-N 2 0 327.473 -0.572 20 0 EBADRP C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCN2CCC([NH3+])CC2)CC[N@@H+]1C ZINC001338327552 842782888 /nfs/dbraw/zinc/78/28/88/842782888.db2.gz KNELLYNDBIWEPM-ZFWWWQNUSA-N 2 0 339.484 -0.533 20 0 EBADRP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001340075169 842967872 /nfs/dbraw/zinc/96/78/72/842967872.db2.gz MZGXVQHPZNAIAV-MJBXVCDLSA-N 2 0 328.457 -0.738 20 0 EBADRP CN1CC[NH2+]C[C@H]1C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC001340471617 843000604 /nfs/dbraw/zinc/00/06/04/843000604.db2.gz NFFYGKMDFRNJBH-INIZCTEOSA-N 2 0 347.463 -0.187 20 0 EBADRP CN(CCC[NH+](C)C)CCNC(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001340725984 843026500 /nfs/dbraw/zinc/02/65/00/843026500.db2.gz XCROEHQPETXGBI-CQSZACIVSA-N 2 0 327.473 -0.817 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12 ZINC001340821056 843033854 /nfs/dbraw/zinc/03/38/54/843033854.db2.gz JGXJBUOEGRICDO-MGPQQGTHSA-N 2 0 347.481 -0.906 20 0 EBADRP CC[NH+](CC)CCCNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2C[NH2+]C[C@@H]21 ZINC001341516735 843095514 /nfs/dbraw/zinc/09/55/14/843095514.db2.gz TZGXHABSRRUCQV-MCIONIFRSA-N 2 0 331.482 -0.143 20 0 EBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001341664875 843104152 /nfs/dbraw/zinc/10/41/52/843104152.db2.gz GQXSIXNNIHHMKD-FRRDWIJNSA-N 2 0 349.401 -0.673 20 0 EBADRP CN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001342462222 843163579 /nfs/dbraw/zinc/16/35/79/843163579.db2.gz RPZKOQSVVUEHTK-CQSZACIVSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H]1CCCOC1 ZINC001343313508 843219025 /nfs/dbraw/zinc/21/90/25/843219025.db2.gz YTDGNTBBLGIRGM-GJZGRUSLSA-N 2 0 342.484 -0.131 20 0 EBADRP COCC[NH+]1CCC(NC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001343395919 843233544 /nfs/dbraw/zinc/23/35/44/843233544.db2.gz WGHLHQHUVMBDPW-CQSZACIVSA-N 2 0 326.441 -0.589 20 0 EBADRP CC1(C)CN(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)CC[NH2+]1 ZINC001345484984 843401718 /nfs/dbraw/zinc/40/17/18/843401718.db2.gz UQZFUBFFNATPMC-UHFFFAOYSA-N 2 0 326.441 -0.888 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001345941168 843463446 /nfs/dbraw/zinc/46/34/46/843463446.db2.gz AHJLAVWZLCSAIE-ZACQAIPSSA-N 2 0 337.512 -0.236 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)C[C@H]1C[NH3+] ZINC001346297439 843499522 /nfs/dbraw/zinc/49/95/22/843499522.db2.gz XVPMSIFIENGBSG-MGPQQGTHSA-N 2 0 326.441 -0.781 20 0 EBADRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)CCC[NH+](C)CCN(C)C ZINC001346983022 843575184 /nfs/dbraw/zinc/57/51/84/843575184.db2.gz AEYVKMNIDAPRGB-HZPDHXFCSA-N 2 0 325.501 -0.283 20 0 EBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C1 ZINC001347150261 843595172 /nfs/dbraw/zinc/59/51/72/843595172.db2.gz VPRBOKOGSGKFHB-CHWSQXEVSA-N 2 0 348.451 -0.196 20 0 EBADRP [NH3+]C1(CNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CCOCC1 ZINC001348322213 843682073 /nfs/dbraw/zinc/68/20/73/843682073.db2.gz WWDPVMDMJRATNS-UHFFFAOYSA-N 2 0 338.452 -0.399 20 0 EBADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001348319454 843682500 /nfs/dbraw/zinc/68/25/00/843682500.db2.gz FYFJSEWENREACS-OCCSQVGLSA-N 2 0 326.441 -0.448 20 0 EBADRP COC(C)(C)CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001349297437 843880601 /nfs/dbraw/zinc/88/06/01/843880601.db2.gz HNJYHOJMIXFLGM-ZIAGYGMSSA-N 2 0 342.484 -0.275 20 0 EBADRP C/C(=C/C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001349919902 843949298 /nfs/dbraw/zinc/94/92/98/843949298.db2.gz PIEUQFBDYNVKJU-DYPFABHUSA-N 2 0 346.475 -0.031 20 0 EBADRP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574711741 949550641 /nfs/dbraw/zinc/55/06/41/949550641.db2.gz LBLSSQXVTFDMLE-NEPJUHHUSA-N 2 0 344.423 -0.106 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)N(C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001480874062 1125799060 /nfs/dbraw/zinc/79/90/60/1125799060.db2.gz RDMQPSAJFDITOI-GFCCVEGCSA-N 2 0 341.456 -0.247 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001691184535 1125841578 /nfs/dbraw/zinc/84/15/78/1125841578.db2.gz OXFKQUVOXXGORQ-JOCQHMNTSA-N 2 0 339.440 -0.637 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@H]1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001691268124 1125846784 /nfs/dbraw/zinc/84/67/84/1125846784.db2.gz BMGCXKFXNGPYQT-BFHYXJOUSA-N 2 0 336.436 -0.238 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001408575973 1125870097 /nfs/dbraw/zinc/87/00/97/1125870097.db2.gz SQWAIFNFVXOGOV-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCN(C)C(=O)C[NH+]1CCCC1 ZINC001408576025 1125870254 /nfs/dbraw/zinc/87/02/54/1125870254.db2.gz VIFRUYIGLCYNHF-HNNXBMFYSA-N 2 0 340.468 -0.375 20 0 EBADRP CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CCN1CCNC1=O ZINC001481011456 1125906983 /nfs/dbraw/zinc/90/69/83/1125906983.db2.gz AXTZTMBNWANEDV-CQSZACIVSA-N 2 0 325.457 -0.209 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)N1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001481066436 1125916441 /nfs/dbraw/zinc/91/64/41/1125916441.db2.gz USFSRPXGIIMJOG-RYUDHWBXSA-N 2 0 337.424 -0.754 20 0 EBADRP CN(CC[NH2+]CC[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001481215463 1125945177 /nfs/dbraw/zinc/94/51/77/1125945177.db2.gz JNGPMPGCECIAKK-KGLIPLIRSA-N 2 0 331.482 -0.047 20 0 EBADRP CN(CC[NH2+]CC(=O)NC[C@H]1CCOC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001481216363 1125945875 /nfs/dbraw/zinc/94/58/75/1125945875.db2.gz YTZWFURFALRDGP-ZIAGYGMSSA-N 2 0 326.441 -0.719 20 0 EBADRP CN(CC[NH2+]CCN1CCCS1(=O)=O)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001481247098 1125952411 /nfs/dbraw/zinc/95/24/11/1125952411.db2.gz HQFTVCKLUCLLQK-CQSZACIVSA-N 2 0 346.497 -0.446 20 0 EBADRP CN(CC[NH2+][C@@H]1CCN(C)C1=O)C(=O)COC1CC[NH+](C)CC1 ZINC001481299358 1125968734 /nfs/dbraw/zinc/96/87/34/1125968734.db2.gz SHTJYSBEUVHJFG-CQSZACIVSA-N 2 0 326.441 -0.624 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC(=O)NC(N)=O)C1 ZINC001481423742 1125985714 /nfs/dbraw/zinc/98/57/14/1125985714.db2.gz LMORQYXBONUGGN-RYUDHWBXSA-N 2 0 325.413 -0.896 20 0 EBADRP C[C@@H](CC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001268420345 1126053438 /nfs/dbraw/zinc/05/34/38/1126053438.db2.gz WWCWOWSAWLELMG-NHYWBVRUSA-N 2 0 325.413 -0.848 20 0 EBADRP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001481879477 1126064683 /nfs/dbraw/zinc/06/46/83/1126064683.db2.gz STJRBQVZBCQWTE-GFCCVEGCSA-N 2 0 339.440 -0.445 20 0 EBADRP CC[N@H+](C)CCC(=O)NC1(C[NH2+]CC(=O)NC(N)=O)CCCC1 ZINC001481908210 1126065939 /nfs/dbraw/zinc/06/59/39/1126065939.db2.gz DLJRFMUQYJFBGP-UHFFFAOYSA-N 2 0 327.429 -0.458 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]CCN1CCNC1=O)C1CC1 ZINC001481937331 1126068157 /nfs/dbraw/zinc/06/81/57/1126068157.db2.gz LAOZZBTXKOHVCS-RHSMWYFYSA-N 2 0 337.468 -0.020 20 0 EBADRP C[C@H]([NH2+]C[C@@](C)(NC(=O)CC[NH+](C)C)C1CC1)C(=O)NC(N)=O ZINC001481940865 1126068351 /nfs/dbraw/zinc/06/83/51/1126068351.db2.gz KQIUYSSYEGOQQQ-ZUZCIYMTSA-N 2 0 327.429 -0.604 20 0 EBADRP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)C[NH2+]C[C@@H](O)Cn1cccn1 ZINC001482161439 1126089217 /nfs/dbraw/zinc/08/92/17/1126089217.db2.gz SAUKWXZKBLJGJT-LSDHHAIUSA-N 2 0 335.452 -0.318 20 0 EBADRP O=C(NCC1([NH2+][C@H]2CCC(=O)NC2=O)CCCC1)C12CC[NH+](CC1)C2 ZINC001482235955 1126109679 /nfs/dbraw/zinc/10/96/79/1126109679.db2.gz YVBKKGATZOUGAT-ZDUSSCGKSA-N 2 0 348.447 -0.094 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1([NH2+][C@@H](C)C(N)=O)CCCC1 ZINC001482237044 1126109927 /nfs/dbraw/zinc/10/99/27/1126109927.db2.gz RSBINSVGTWWKTC-KGLIPLIRSA-N 2 0 340.468 -0.153 20 0 EBADRP C[C@@H](C[NH2+]CCN1C(=O)CNC1=O)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001482290661 1126120575 /nfs/dbraw/zinc/12/05/75/1126120575.db2.gz ATEMCUYUTXCPOK-LBPRGKRZSA-N 2 0 339.440 -0.541 20 0 EBADRP C[C@H](C[NH2+]CCN1C(=O)CCC1=O)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001482324014 1126130906 /nfs/dbraw/zinc/13/09/06/1126130906.db2.gz SVDSHOABPDCKSL-CYBMUJFWSA-N 2 0 338.452 -0.086 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001648970727 1126184909 /nfs/dbraw/zinc/18/49/09/1126184909.db2.gz VUPKPLJOGQNWDY-NFAWXSAZSA-N 2 0 326.441 -0.545 20 0 EBADRP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001482495773 1126185067 /nfs/dbraw/zinc/18/50/67/1126185067.db2.gz RJLXMSRFGSIWGL-RYUDHWBXSA-N 2 0 327.429 -0.650 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@H]([NH2+][C@@H]1CCC(=O)NC1=O)C(C)C ZINC001482565611 1126198244 /nfs/dbraw/zinc/19/82/44/1126198244.db2.gz JGIVAIRHVMGJKM-OLZOCXBDSA-N 2 0 326.441 -0.136 20 0 EBADRP C[NH+]1CCN(c2cc(CNC(=O)[C@@]3(C)C[C@H](O)C[NH2+]3)ccn2)CC1 ZINC001648976593 1126217943 /nfs/dbraw/zinc/21/79/43/1126217943.db2.gz QAOBXDZKANDTQN-WMLDXEAASA-N 2 0 333.436 -0.438 20 0 EBADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001648979193 1126222151 /nfs/dbraw/zinc/22/21/51/1126222151.db2.gz FKUFJCDJFOJPGD-HOCLYGCPSA-N 2 0 335.429 -0.460 20 0 EBADRP O=C(C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001648979878 1126222444 /nfs/dbraw/zinc/22/24/44/1126222444.db2.gz NYJUCPKBYHRJSC-PEBLQZBPSA-N 2 0 327.450 -0.638 20 0 EBADRP CN(CCN(C)[C@@H]1CCNC1=O)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001482598226 1126230026 /nfs/dbraw/zinc/23/00/26/1126230026.db2.gz FXXNTBGSNRSNEJ-CQSZACIVSA-N 2 0 336.440 -0.663 20 0 EBADRP C[N@H+](CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCCC1)C1CCC1 ZINC001482737960 1126272291 /nfs/dbraw/zinc/27/22/91/1126272291.db2.gz WVENMJIOCRZBOZ-AWEZNQCLSA-N 2 0 326.441 -0.840 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](O)C[NH2+]CCn2cc(Cl)cn2)C1 ZINC001482768275 1126283009 /nfs/dbraw/zinc/28/30/09/1126283009.db2.gz SQHZHARULMCURV-OCCSQVGLSA-N 2 0 343.859 -0.055 20 0 EBADRP CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C[NH+]2CCC(C)CC2)C1=O ZINC001482782961 1126289141 /nfs/dbraw/zinc/28/91/41/1126289141.db2.gz VWBUYKPOOHSUQS-HUUCEWRRSA-N 2 0 340.468 -0.594 20 0 EBADRP O=C(C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1)Nc1ccccc1 ZINC001482791078 1126292633 /nfs/dbraw/zinc/29/26/33/1126292633.db2.gz OTNBDGPIOHCJBX-HNNXBMFYSA-N 2 0 334.420 -0.212 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001482867427 1126298791 /nfs/dbraw/zinc/29/87/91/1126298791.db2.gz IFEPNXODDBMKID-GFCCVEGCSA-N 2 0 341.456 -0.342 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001482838993 1126297037 /nfs/dbraw/zinc/29/70/37/1126297037.db2.gz HMWPKFPSPWWABT-LBPRGKRZSA-N 2 0 341.456 -0.199 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001691540804 1126308243 /nfs/dbraw/zinc/30/82/43/1126308243.db2.gz HHPLIDHLGQLXLG-IHRRRGAJSA-N 2 0 346.497 -0.638 20 0 EBADRP CN(CC[NH2+]CCCN1C(=O)CNC1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001691555864 1126321245 /nfs/dbraw/zinc/32/12/45/1126321245.db2.gz MWMJMOFRKCYKNC-CYBMUJFWSA-N 2 0 339.440 -0.682 20 0 EBADRP CNC(=O)[C@H](C)[N@H+](C)CCOCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001691606819 1126325408 /nfs/dbraw/zinc/32/54/08/1126325408.db2.gz UFBKJNHJASELNY-KBPBESRZSA-N 2 0 328.457 -0.521 20 0 EBADRP Cn1ccc(N2CC[C@H]([NH2+]C/C=C\CNC(=O)CC[NH+](C)C)C2=O)n1 ZINC001483054720 1126326580 /nfs/dbraw/zinc/32/65/80/1126326580.db2.gz QUUVQSQQYRUJOC-WSNITJDQSA-N 2 0 348.451 -0.261 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CC1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001409280135 1126336340 /nfs/dbraw/zinc/33/63/40/1126336340.db2.gz VSDAFZWPIFBWEY-UHFFFAOYSA-N 2 0 339.440 -0.732 20 0 EBADRP C[C@H](C[NH2+]CCN1CCNC1=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483161077 1126348810 /nfs/dbraw/zinc/34/88/10/1126348810.db2.gz UQFIXJNVZIYYLS-RDBSUJKOSA-N 2 0 325.457 -0.164 20 0 EBADRP C[C@H](C[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O)NC(=O)CC[NH+](C)C ZINC001483162837 1126349193 /nfs/dbraw/zinc/34/91/93/1126349193.db2.gz PPKOAQVTSXDIHM-CHWSQXEVSA-N 2 0 336.440 -0.429 20 0 EBADRP C[C@H](C[NH2+]CCCN1C(=O)CNC1=O)NC(=O)C12CC[NH+](CC1)C2 ZINC001483184404 1126351459 /nfs/dbraw/zinc/35/14/59/1126351459.db2.gz NLHAOCHCRKOOFQ-GFCCVEGCSA-N 2 0 337.424 -0.882 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001483185733 1126351551 /nfs/dbraw/zinc/35/15/51/1126351551.db2.gz TVIBUBGUWOKXKA-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001483193071 1126352275 /nfs/dbraw/zinc/35/22/75/1126352275.db2.gz QBVPYSFEJXTNNK-VXGBXAGGSA-N 2 0 327.429 -0.589 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]C[C@@H](C)NC(=O)C[NH+]2CCCC2)s1 ZINC001483192975 1126352319 /nfs/dbraw/zinc/35/23/19/1126352319.db2.gz MUJYHUPWTOXIMP-SNVBAGLBSA-N 2 0 340.453 -0.025 20 0 EBADRP O=C(N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)[C@]12CC[C@H]1C[NH2+]C2 ZINC001649007501 1126360113 /nfs/dbraw/zinc/36/01/13/1126360113.db2.gz IUUIYKOVSFNDOQ-OWCBBSPXSA-N 2 0 347.463 -0.267 20 0 EBADRP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001409619568 1126384313 /nfs/dbraw/zinc/38/43/13/1126384313.db2.gz FGOJLPGQWYJBSS-RYUDHWBXSA-N 2 0 341.456 -0.249 20 0 EBADRP CCCNC(=O)NC(=O)CN(C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001483417592 1126426034 /nfs/dbraw/zinc/42/60/34/1126426034.db2.gz MZSLHYLORHUSQI-OLZOCXBDSA-N 2 0 341.456 -0.390 20 0 EBADRP C[C@H](CN(C)CC(=O)Nc1nncs1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001483418007 1126426369 /nfs/dbraw/zinc/42/63/69/1126426369.db2.gz RJHIGRHWUIEVRI-MNOVXSKESA-N 2 0 340.453 -0.135 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483509364 1126432153 /nfs/dbraw/zinc/43/21/53/1126432153.db2.gz JSXKUECTNOJAFJ-GFCCVEGCSA-N 2 0 327.429 -0.778 20 0 EBADRP C[NH+]1CCC(CC(=O)N[C@H](C[NH2+]CC(=O)NC(N)=O)C2CC2)CC1 ZINC001483591152 1126437921 /nfs/dbraw/zinc/43/79/21/1126437921.db2.gz ACBFYUQIECYAHN-CYBMUJFWSA-N 2 0 339.440 -0.602 20 0 EBADRP CS(=O)(=O)CC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001483735613 1126465542 /nfs/dbraw/zinc/46/55/42/1126465542.db2.gz TZYYHYVPJAVMIC-CYBMUJFWSA-N 2 0 329.466 -0.389 20 0 EBADRP O=C(C[NH2+]C1(CNC(=O)[C@H]2CCn3cncc3C2)CC1)NC1CC1 ZINC001483748327 1126468645 /nfs/dbraw/zinc/46/86/45/1126468645.db2.gz PBMLFYGLNSWJFK-LBPRGKRZSA-N 2 0 331.420 -0.038 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+]C[C@H](O)Cn3cccn3)CC2)C1 ZINC001483768006 1126474585 /nfs/dbraw/zinc/47/45/85/1126474585.db2.gz UJEDAOZCLAKNGX-GJZGRUSLSA-N 2 0 335.452 -0.176 20 0 EBADRP COCC[N@H+](CC(N)=O)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001483818735 1126478842 /nfs/dbraw/zinc/47/88/42/1126478842.db2.gz UUPBYIOPVWHNBQ-CQSZACIVSA-N 2 0 326.441 -0.495 20 0 EBADRP CCN1CCO[C@@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C2CCCC2)C1 ZINC001484012114 1126497124 /nfs/dbraw/zinc/49/71/24/1126497124.db2.gz PKZDABXGSQCZJC-UONOGXRCSA-N 2 0 326.441 -0.543 20 0 EBADRP C[N@H+](CC(=O)NC[C@@]1(O)CC[NH+]([C@@H]2CCCNC2=O)C1)C1CCC1 ZINC001484222987 1126525790 /nfs/dbraw/zinc/52/57/90/1126525790.db2.gz JCBQTDHOAGIVOB-PBHICJAKSA-N 2 0 338.452 -0.698 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC2(O)C[NH+](CC3CCOCC3)C2)CC1 ZINC001484291075 1126554831 /nfs/dbraw/zinc/55/48/31/1126554831.db2.gz GPVGMDWBHAIXRU-UHFFFAOYSA-N 2 0 325.453 -0.082 20 0 EBADRP C[C@@H]([NH2+]CCOCCO)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001484352815 1126564970 /nfs/dbraw/zinc/56/49/70/1126564970.db2.gz MUJQHUMDMFYPFD-HUUCEWRRSA-N 2 0 325.453 -0.082 20 0 EBADRP CN1CC[C@H]([NH2+]CCN(CCO)C(=O)CC[C@H]2CCC[N@@H+]2C)C1=O ZINC001484485438 1126595265 /nfs/dbraw/zinc/59/52/65/1126595265.db2.gz JVWSKTLQPMZHJS-CABCVRRESA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+]1CCC(CC(=O)N(CCO)CC[NH2+][C@H]2CCCNC2=O)CC1 ZINC001484495366 1126597470 /nfs/dbraw/zinc/59/74/70/1126597470.db2.gz KKOAMPYSCUIOCI-HNNXBMFYSA-N 2 0 340.468 -0.593 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001484496099 1126597860 /nfs/dbraw/zinc/59/78/60/1126597860.db2.gz VTLIHGMJOOOBLT-HUUCEWRRSA-N 2 0 342.484 -0.204 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC001484513145 1126600551 /nfs/dbraw/zinc/60/05/51/1126600551.db2.gz MEIBMNTVFBRYMY-UONOGXRCSA-N 2 0 331.482 -0.047 20 0 EBADRP CN1CCO[C@H](C(=O)N2CC[C@@H](CC[NH2+]CCOCCO)C2)C1 ZINC001484514749 1126600641 /nfs/dbraw/zinc/60/06/41/1126600641.db2.gz QHZREGGQMXXOSS-CABCVRRESA-N 2 0 329.441 -0.846 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](CC[NH2+]CC(=O)NC(N)=O)C1 ZINC001484545111 1126602998 /nfs/dbraw/zinc/60/29/98/1126602998.db2.gz JCMTXFHVHLSHER-GFCCVEGCSA-N 2 0 327.429 -0.649 20 0 EBADRP O=C(Cc1ncc[nH]1)N1CCCC[C@@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001484619309 1126611734 /nfs/dbraw/zinc/61/17/34/1126611734.db2.gz NXXGBMPXMAVLIA-GFCCVEGCSA-N 2 0 348.407 -0.525 20 0 EBADRP C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CCO1 ZINC001484680385 1126616192 /nfs/dbraw/zinc/61/61/92/1126616192.db2.gz MKLVKKHNGPAWQV-HUUCEWRRSA-N 2 0 343.468 -0.457 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@H](C[NH2+]CCn3cncn3)C2)C1 ZINC001484692906 1126620022 /nfs/dbraw/zinc/62/00/22/1126620022.db2.gz PWWCQZYBANAULA-HUUCEWRRSA-N 2 0 336.440 -0.563 20 0 EBADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]CC(N)=O)C1 ZINC001484682827 1126620839 /nfs/dbraw/zinc/62/08/39/1126620839.db2.gz VVEPOHRUCFNBBF-ZIAGYGMSSA-N 2 0 326.441 -0.591 20 0 EBADRP C[NH+](C)CCc1ccccc1C(=O)N1CCO[C@@H](C[NH2+]CC(N)=O)C1 ZINC001484683195 1126620970 /nfs/dbraw/zinc/62/09/70/1126620970.db2.gz APHYGZSLPJKEIJ-HNNXBMFYSA-N 2 0 348.447 -0.293 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H](C[NH2+]CC(=O)N(C)CC)C1 ZINC001484696924 1126624981 /nfs/dbraw/zinc/62/49/81/1126624981.db2.gz QXTIPPCCLPRVDO-AWEZNQCLSA-N 2 0 328.457 -0.377 20 0 EBADRP CN(CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1)S(C)(=O)=O ZINC001484721609 1126627725 /nfs/dbraw/zinc/62/77/25/1126627725.db2.gz ANKYCLVXNWOZET-CQSZACIVSA-N 2 0 348.513 -0.200 20 0 EBADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCC[N@H+](C)CC(=O)NC(N)=O ZINC001484769582 1126630396 /nfs/dbraw/zinc/63/03/96/1126630396.db2.gz XRSCZIBPGBBKKP-CHWSQXEVSA-N 2 0 341.456 -0.166 20 0 EBADRP CCNC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484847228 1126643841 /nfs/dbraw/zinc/64/38/41/1126643841.db2.gz NYMHHKPREGZIAM-KRWDZBQOSA-N 2 0 340.468 -0.593 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@](CO)([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001484852900 1126644588 /nfs/dbraw/zinc/64/45/88/1126644588.db2.gz IHPWLGFRLJHLPS-PBHICJAKSA-N 2 0 338.452 -0.887 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CCOCC1 ZINC001484868255 1126648651 /nfs/dbraw/zinc/64/86/51/1126648651.db2.gz GOLGDNZVHCAUIQ-KGLIPLIRSA-N 2 0 340.468 -0.282 20 0 EBADRP O=C(C[NH2+]CC1(O)CCN(C(=O)C[NH+]2CCCC2)CC1)N1CCC1 ZINC001484964163 1126657012 /nfs/dbraw/zinc/65/70/12/1126657012.db2.gz FHDXZEOGAWOHBH-UHFFFAOYSA-N 2 0 338.452 -0.742 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CC1(O)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001484954858 1126658424 /nfs/dbraw/zinc/65/84/24/1126658424.db2.gz VWDRFXCWJISJCE-CYBMUJFWSA-N 2 0 340.468 -0.452 20 0 EBADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001485242965 1126683922 /nfs/dbraw/zinc/68/39/22/1126683922.db2.gz ZVHPJULHZNMRGM-HIFPTAJRSA-N 2 0 339.440 -0.508 20 0 EBADRP CCCC[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485463991 1126719992 /nfs/dbraw/zinc/71/99/92/1126719992.db2.gz RTLAMRLSAOFKBL-FRRDWIJNSA-N 2 0 341.456 -0.214 20 0 EBADRP CC(=O)NCCOCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001485536703 1126747554 /nfs/dbraw/zinc/74/75/54/1126747554.db2.gz WINPVTVBSWXAAN-ZFWWWQNUSA-N 2 0 340.468 -0.473 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CCn2cncn2)C1 ZINC001485648468 1126776973 /nfs/dbraw/zinc/77/69/73/1126776973.db2.gz AJDVNBBEIGRRPS-CABCVRRESA-N 2 0 338.456 -0.176 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CCS(C)(=O)=O)C1 ZINC001485645394 1126788815 /nfs/dbraw/zinc/78/88/15/1126788815.db2.gz FISJPTOFQPXGRS-UONOGXRCSA-N 2 0 349.497 -0.422 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001485693331 1126805736 /nfs/dbraw/zinc/80/57/36/1126805736.db2.gz AEZIFGSTRJOONT-IJLUTSLNSA-N 2 0 325.413 -0.979 20 0 EBADRP CN1CCO[C@@H](C(=O)NCCOCC[N@H+](C)Cc2ccccn2)C1 ZINC001485770426 1126829729 /nfs/dbraw/zinc/82/97/29/1126829729.db2.gz OVGLAUIOZDTDPT-MRXNPFEDSA-N 2 0 336.436 -0.023 20 0 EBADRP C[NH+](C)C1(C(=O)NCCOCC[N@@H+](C)[C@H]2CCCNC2=O)CCC1 ZINC001485773644 1126832618 /nfs/dbraw/zinc/83/26/18/1126832618.db2.gz YTABVYFLWFBCJN-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP CN(C(=O)C(C)(C)C[NH+]1CCOCC1)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001485815612 1126849075 /nfs/dbraw/zinc/84/90/75/1126849075.db2.gz MTQCZMHFLIFRDY-CQSZACIVSA-N 2 0 340.468 -0.343 20 0 EBADRP C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@H]12 ZINC001649078553 1126868649 /nfs/dbraw/zinc/86/86/49/1126868649.db2.gz IWLAVDSULSGZHS-PRSXHHODSA-N 2 0 329.466 -0.394 20 0 EBADRP [NH3+]CCN(CC(=O)N1NC(=O)CC12CC[NH2+]CC2)Cc1ccccc1 ZINC001649079566 1126868744 /nfs/dbraw/zinc/86/87/44/1126868744.db2.gz MBMMBRIOWIQOFI-UHFFFAOYSA-N 2 0 345.447 -0.167 20 0 EBADRP C[C@@H](NC(=O)Cc1c[nH]cn1)C1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001409940551 1126871892 /nfs/dbraw/zinc/87/18/92/1126871892.db2.gz YUOBMRFZCRVHCT-DOMZBBRYSA-N 2 0 332.408 -0.354 20 0 EBADRP C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]CCN1C(=O)CCC1=O ZINC001485916263 1126915209 /nfs/dbraw/zinc/91/52/09/1126915209.db2.gz NDGYQWQLHAUBTN-CYBMUJFWSA-N 2 0 338.452 -0.086 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@H](CO)[NH2+]CC(=O)N2CCCC2)CCC1 ZINC001486000627 1126941157 /nfs/dbraw/zinc/94/11/57/1126941157.db2.gz BGPVBZZRXYEDRG-CYBMUJFWSA-N 2 0 326.441 -0.840 20 0 EBADRP C[C@H]([NH2+][C@H](CO)CNC(=O)CC1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001486040940 1126987406 /nfs/dbraw/zinc/98/74/06/1126987406.db2.gz HBRSSOHPGRGHOD-WFASDCNBSA-N 2 0 340.468 -0.548 20 0 EBADRP C[C@H](C(=O)NC[C@H](CO)[NH2+]CCn1cncn1)[NH+]1CCCCCC1 ZINC001486040997 1126987781 /nfs/dbraw/zinc/98/77/81/1126987781.db2.gz HZYLHPJKDICTKX-HUUCEWRRSA-N 2 0 338.456 -0.391 20 0 EBADRP CC1CC[NH+](CC(=O)NC[C@H](CO)[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001486046956 1126994871 /nfs/dbraw/zinc/99/48/71/1126994871.db2.gz BYWXILFXWVCDMP-ZIAGYGMSSA-N 2 0 326.441 -0.936 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC2CCCC2)C1 ZINC001486061224 1127010579 /nfs/dbraw/zinc/01/05/79/1127010579.db2.gz JOOPVAVCBBVIOP-TZMCWYRMSA-N 2 0 326.441 -0.936 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@@]2(NC(=O)CCN3CCOCC3)CCC[C@H]12 ZINC001486147799 1127048600 /nfs/dbraw/zinc/04/86/00/1127048600.db2.gz QLEUWNSJCSOBFK-YOEHRIQHSA-N 2 0 338.452 -0.432 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(=O)NC(=O)NC)C1 ZINC001486219181 1127063577 /nfs/dbraw/zinc/06/35/77/1127063577.db2.gz RNFQUNDKNGYFQR-CHWSQXEVSA-N 2 0 341.456 -0.342 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001486280844 1127077450 /nfs/dbraw/zinc/07/74/50/1127077450.db2.gz JQAITBOSOXGIKC-HUUCEWRRSA-N 2 0 340.468 -0.452 20 0 EBADRP CN(C[C@H](O)C[NH2+][C@@H]1CCCNC1=O)C(=O)C1([NH+](C)C)CCC1 ZINC001486281808 1127078191 /nfs/dbraw/zinc/07/81/91/1127078191.db2.gz VHKGNTIDJONZIQ-CHWSQXEVSA-N 2 0 326.441 -0.842 20 0 EBADRP CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001486284015 1127081414 /nfs/dbraw/zinc/08/14/14/1127081414.db2.gz FJHKRBQWOGQGNS-CQSZACIVSA-N 2 0 347.419 -0.199 20 0 EBADRP CN(C[C@@H](O)C[NH2+]C[C@H]1CCCS(=O)(=O)C1)C(=O)CC[NH+](C)C ZINC001486296643 1127104103 /nfs/dbraw/zinc/10/41/03/1127104103.db2.gz AABPLIHAXDIZGZ-KGLIPLIRSA-N 2 0 349.497 -0.828 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001486388835 1127166698 /nfs/dbraw/zinc/16/66/98/1127166698.db2.gz FBRFFGIPJKDYFI-NWDGAFQWSA-N 2 0 341.456 -0.343 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H](C[NH2+]CC(=O)NC(=O)NC)C(C)(C)C ZINC001486415507 1127172620 /nfs/dbraw/zinc/17/26/20/1127172620.db2.gz FQKOHIUGLGXCIP-GFCCVEGCSA-N 2 0 343.472 -0.096 20 0 EBADRP C[C@@H](NC(=O)COC1CC[NH+](C)CC1)C1CC[NH+](CC(N)=O)CC1 ZINC001486441109 1127177939 /nfs/dbraw/zinc/17/79/39/1127177939.db2.gz KCGZPBDYBPIEPN-CYBMUJFWSA-N 2 0 340.468 -0.201 20 0 EBADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]CCCS(C)(=O)=O)C1 ZINC001486482600 1127185164 /nfs/dbraw/zinc/18/51/64/1127185164.db2.gz JYOLDDRLFLLFCA-IYXRBSQSSA-N 2 0 331.482 -0.048 20 0 EBADRP CNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001410392587 1127699600 /nfs/dbraw/zinc/69/96/00/1127699600.db2.gz ZSXCJAFGBRUHPC-STQMWFEESA-N 2 0 338.456 -0.371 20 0 EBADRP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NC1CCOCC1 ZINC001410430325 1127712406 /nfs/dbraw/zinc/71/24/06/1127712406.db2.gz XQLGISKLRHNODS-DZGCQCFKSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(=O)N1CCOCC1 ZINC001410446821 1127717301 /nfs/dbraw/zinc/71/73/01/1127717301.db2.gz GQYOGOGYCWVQJH-AWEZNQCLSA-N 2 0 340.468 -0.377 20 0 EBADRP CC(C)CNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001410665770 1127801287 /nfs/dbraw/zinc/80/12/87/1127801287.db2.gz ZERVUKDTJFUAAN-CABCVRRESA-N 2 0 340.468 -0.833 20 0 EBADRP CNC(=O)C[NH2+][C@@H](CO)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001410690366 1127818533 /nfs/dbraw/zinc/81/85/33/1127818533.db2.gz IGMLZASJXDQLQA-CYBMUJFWSA-N 2 0 328.457 -0.689 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001410745362 1127857756 /nfs/dbraw/zinc/85/77/56/1127857756.db2.gz APDIDRXJGTXHND-UONOGXRCSA-N 2 0 328.457 -0.738 20 0 EBADRP O=C(NC[C@H](CO)[NH2+]C[C@@H](O)CC(F)(F)F)C12CC[NH+](CC1)C2 ZINC001410760931 1127867685 /nfs/dbraw/zinc/86/76/85/1127867685.db2.gz YZSFNKLTLYAYTA-MNOVXSKESA-N 2 0 339.358 -0.538 20 0 EBADRP O=C(C[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2)NCC1CCC1 ZINC001410758907 1127869833 /nfs/dbraw/zinc/86/98/33/1127869833.db2.gz WSOMAMBBHSKZEE-AWEZNQCLSA-N 2 0 338.452 -0.935 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCCCC1)[NH+](C)C ZINC001410797347 1127898809 /nfs/dbraw/zinc/89/88/09/1127898809.db2.gz ODDFCUCREZUOIN-ZBFHGGJFSA-N 2 0 342.484 -0.348 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001410873472 1127925138 /nfs/dbraw/zinc/92/51/38/1127925138.db2.gz VKJZSZILFHXVLD-OLZOCXBDSA-N 2 0 339.440 -0.493 20 0 EBADRP CC(C)NC(=O)C[NH2+][C@H]1CN(C(=O)[C@@H]2CN(C)CCO2)CC1(C)C ZINC001410939515 1127949170 /nfs/dbraw/zinc/94/91/70/1127949170.db2.gz NGGNKYOHKHICDT-KBPBESRZSA-N 2 0 340.468 -0.332 20 0 EBADRP C[C@@H]([NH2+][C@H]1CN(C(=O)CC[NH+](C)C)CC1(C)C)C(=O)NC(N)=O ZINC001410975140 1127957424 /nfs/dbraw/zinc/95/74/24/1127957424.db2.gz HHOGYOCQJBGCOJ-MNOVXSKESA-N 2 0 327.429 -0.652 20 0 EBADRP C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1)C(=O)NC1CC1 ZINC001411051232 1127988199 /nfs/dbraw/zinc/98/81/99/1127988199.db2.gz ZZMAFRQKWWHIIN-OCCSQVGLSA-N 2 0 340.468 -0.453 20 0 EBADRP CN(C[C@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001411062520 1127996593 /nfs/dbraw/zinc/99/65/93/1127996593.db2.gz PAATVVARTUXKJV-ZIAGYGMSSA-N 2 0 326.441 -0.842 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001411086238 1128009663 /nfs/dbraw/zinc/00/96/63/1128009663.db2.gz RYMQMGDEHQWLFM-YNEHKIRRSA-N 2 0 337.424 -0.600 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)CC1CC[NH+](C)CC1 ZINC001411113129 1128020275 /nfs/dbraw/zinc/02/02/75/1128020275.db2.gz WRKLOVKWHQFXKQ-HNNXBMFYSA-N 2 0 340.468 -0.594 20 0 EBADRP CN(C[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)CC[NH+]1CCCCC1 ZINC001411122194 1128024077 /nfs/dbraw/zinc/02/40/77/1128024077.db2.gz GVQCYLBEURKTPB-GJZGRUSLSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnnn1C ZINC001411129542 1128029496 /nfs/dbraw/zinc/02/94/96/1128029496.db2.gz RBNQVKWWZGBKEO-HUUCEWRRSA-N 2 0 338.456 -0.402 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001411147328 1128040661 /nfs/dbraw/zinc/04/06/61/1128040661.db2.gz PBNPXRYPUPHPRU-UONOGXRCSA-N 2 0 328.457 -0.738 20 0 EBADRP CN(C[C@H](O)C[N@H+](C)[C@H]1CCNC1=O)C(=O)C[NH+](C)C1CCC1 ZINC001411169825 1128067766 /nfs/dbraw/zinc/06/77/66/1128067766.db2.gz PBHKCBIKSWCNIE-KGLIPLIRSA-N 2 0 326.441 -0.890 20 0 EBADRP Cc1cncn1CC(=O)N(C)C[C@H](O)CN(C)Cc1cncn1C ZINC001411171130 1128068997 /nfs/dbraw/zinc/06/89/97/1128068997.db2.gz JRRWIFLIHYSCIJ-OAHLLOKOSA-N 2 0 334.424 -0.124 20 0 EBADRP COC[C@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001411189130 1128087656 /nfs/dbraw/zinc/08/76/56/1128087656.db2.gz IOBSAGFDKUIQAD-LSDHHAIUSA-N 2 0 331.457 -0.913 20 0 EBADRP C[C@]12CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]1C[N@H+](CCO)C2 ZINC001091867845 1128162311 /nfs/dbraw/zinc/16/23/11/1128162311.db2.gz CKWWSGFHGPMVGC-KFHUCXJESA-N 2 0 335.448 -0.378 20 0 EBADRP C[C@H](CN(C)C(=O)CC[NH+](C)C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001487893681 1128443988 /nfs/dbraw/zinc/44/39/88/1128443988.db2.gz RUCFPHOXBHSWIT-HUUCEWRRSA-N 2 0 342.484 -0.131 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001488004896 1128541489 /nfs/dbraw/zinc/54/14/89/1128541489.db2.gz JRILQDSOVBZEJU-CABCVRRESA-N 2 0 340.468 -0.737 20 0 EBADRP CC[N@H+](C)CCC(=O)N(C)C[C@H](O)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001488407809 1128743933 /nfs/dbraw/zinc/74/39/33/1128743933.db2.gz NEUPMKSOSJEHBL-KGLIPLIRSA-N 2 0 328.457 -0.642 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001488383176 1128760191 /nfs/dbraw/zinc/76/01/91/1128760191.db2.gz QOIKTLNDVPJCTL-HUUCEWRRSA-N 2 0 342.484 -0.396 20 0 EBADRP COCCN(CCNC(=O)C[NH+]1CCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001488536090 1128783033 /nfs/dbraw/zinc/78/30/33/1128783033.db2.gz JTVMDXOLCISRGD-OAHLLOKOSA-N 2 0 340.468 -0.375 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001488763043 1128840147 /nfs/dbraw/zinc/84/01/47/1128840147.db2.gz ATUFUNLOSDIIML-GASCZTMLSA-N 2 0 340.468 -0.329 20 0 EBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001488778413 1128842453 /nfs/dbraw/zinc/84/24/53/1128842453.db2.gz AXTCORUANDTUHT-OKILXGFUSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+]1CCC(OCC(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)CC1 ZINC001488869843 1128869199 /nfs/dbraw/zinc/86/91/99/1128869199.db2.gz PDSRNWSMUQWNLY-YDHLFZDLSA-N 2 0 338.452 -0.530 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](OCC)C1 ZINC001489009049 1128898154 /nfs/dbraw/zinc/89/81/54/1128898154.db2.gz BKTCRMFPBHZJAF-RBSFLKMASA-N 2 0 340.468 -0.201 20 0 EBADRP CC(C)[C@H](C(=O)NCc1nc(C[NH2+]CCO)cc(=O)[nH]1)[NH+](C)C ZINC001489079756 1128907766 /nfs/dbraw/zinc/90/77/66/1128907766.db2.gz WUTHAYWNHLABES-CQSZACIVSA-N 2 0 325.413 -0.534 20 0 EBADRP CO[C@@H](C)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001489080002 1128908006 /nfs/dbraw/zinc/90/80/06/1128908006.db2.gz BUCPWGUEQUNNNR-NWDGAFQWSA-N 2 0 337.424 -0.125 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1nc(C[NH2+]CCO)cc(=O)[nH]1 ZINC001489076520 1128905868 /nfs/dbraw/zinc/90/58/68/1128905868.db2.gz NNPUZSMMBCHMFP-ZDUSSCGKSA-N 2 0 337.424 -0.245 20 0 EBADRP C[NH+]1CCC(CC(=O)N2CCC[C@@H]([NH+](CCO)CCO)C2)CC1 ZINC001489167838 1128915390 /nfs/dbraw/zinc/91/53/90/1128915390.db2.gz JDXRXLSKTVVFCU-MRXNPFEDSA-N 2 0 327.469 -0.004 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1O ZINC001489349758 1128963404 /nfs/dbraw/zinc/96/34/04/1128963404.db2.gz YAWLSOYPSGKFQZ-RRFJBIMHSA-N 2 0 340.468 -0.642 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)C[NH+](C)C2CCC2)C[C@H]1O ZINC001489381506 1128971654 /nfs/dbraw/zinc/97/16/54/1128971654.db2.gz GZGQYZKLZJERRM-HUUCEWRRSA-N 2 0 340.468 -0.500 20 0 EBADRP CNC(=O)NC(=O)C[N@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001490282016 1129157615 /nfs/dbraw/zinc/15/76/15/1129157615.db2.gz PNAWEGSMMWNSRA-BETUJISGSA-N 2 0 341.456 -0.247 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001490261534 1129161160 /nfs/dbraw/zinc/16/11/60/1129161160.db2.gz NJYDBBLIISTEOG-CYBMUJFWSA-N 2 0 341.456 -0.260 20 0 EBADRP C[C@@H](F)CC[NH+]1CCN(CCNC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001490486757 1129190138 /nfs/dbraw/zinc/19/01/38/1129190138.db2.gz KMZSBECAQWXONB-CABCVRRESA-N 2 0 330.448 -0.201 20 0 EBADRP O=C(NCCN1CC[NH+](C[C@@H]2CCOC2)CC1)C12CC[NH+](CC1)C2 ZINC001490508981 1129215376 /nfs/dbraw/zinc/21/53/76/1129215376.db2.gz AJSYFLTZIPYZCU-INIZCTEOSA-N 2 0 336.480 -0.148 20 0 EBADRP O=C(NC[C@H]([NH2+][C@H]1CCC(=O)NC1=O)C1CC1)C12CCC[NH+]1CCC2 ZINC001490681748 1129240129 /nfs/dbraw/zinc/24/01/29/1129240129.db2.gz RPAFRWNHTULMHP-KBPBESRZSA-N 2 0 348.447 -0.096 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)CC2SC(=N)NC2=O)C[C@H]1C[NH+](C)C ZINC000870023137 1129265158 /nfs/dbraw/zinc/26/51/58/1129265158.db2.gz MYXDYHYVFHIMJA-UTUOFQBUSA-N 2 0 341.481 -0.259 20 0 EBADRP CN(CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1)S(C)(=O)=O ZINC001493186768 1129527667 /nfs/dbraw/zinc/52/76/67/1129527667.db2.gz ZPVCLPICJMMPGF-UONOGXRCSA-N 2 0 346.497 -0.590 20 0 EBADRP C[C@H](C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1)CS(C)(=O)=O ZINC001490876787 1129699300 /nfs/dbraw/zinc/69/93/00/1129699300.db2.gz JLONBXBTQNLQBN-SYQHCUMBSA-N 2 0 331.482 -0.002 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H](CO)CNC(=O)C[NH+]2CCCC2)C1 ZINC001412851392 1129732390 /nfs/dbraw/zinc/73/23/90/1129732390.db2.gz FIDOAUHAXPIRAR-KBPBESRZSA-N 2 0 326.441 -0.983 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@H](CO)NC(=O)C1CC[NH+](C)CC1)[NH+](C)C ZINC001412867924 1129744862 /nfs/dbraw/zinc/74/48/62/1129744862.db2.gz AJTAOCATBLKZFG-CABCVRRESA-N 2 0 342.484 -0.492 20 0 EBADRP Cc1cncn1CC(=O)NC[C@H](CO)NC(=O)C[N@@H+](C)C1CCC1 ZINC001412910962 1129781095 /nfs/dbraw/zinc/78/10/95/1129781095.db2.gz XUFMMQOGGOOXLJ-CYBMUJFWSA-N 2 0 337.424 -0.731 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H](CO)CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001412927467 1129790963 /nfs/dbraw/zinc/79/09/63/1129790963.db2.gz VGOUIXNAYJPHOS-KGLIPLIRSA-N 2 0 338.452 -0.983 20 0 EBADRP C[C@H](C(=O)N[C@H](CO)CNC(=O)CC[NH+](C)C)[NH+]1CCCCCC1 ZINC001412964253 1129821280 /nfs/dbraw/zinc/82/12/80/1129821280.db2.gz FBPOKCIQBFXQKZ-CABCVRRESA-N 2 0 342.484 -0.204 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCOC2)C1 ZINC001493234823 1130142088 /nfs/dbraw/zinc/14/20/88/1130142088.db2.gz UPPORGRGIPVNBY-GJZGRUSLSA-N 2 0 340.468 -0.471 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001490889385 1130209954 /nfs/dbraw/zinc/20/99/54/1130209954.db2.gz LSDQITHIMXYPFK-AAVRWANBSA-N 2 0 331.482 -0.002 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001490890547 1130211870 /nfs/dbraw/zinc/21/18/70/1130211870.db2.gz XSIHPKLJJDCKAV-DDHJBXDOSA-N 2 0 325.413 -0.981 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1)C(=O)NC(N)=O ZINC001490903132 1130234696 /nfs/dbraw/zinc/23/46/96/1130234696.db2.gz OOLSFWVICZLDDA-DDHJBXDOSA-N 2 0 325.413 -0.709 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001490956319 1130273235 /nfs/dbraw/zinc/27/32/35/1130273235.db2.gz FHWALWRFZBBMFZ-MGPQQGTHSA-N 2 0 326.441 -0.720 20 0 EBADRP CNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001491493917 1130468801 /nfs/dbraw/zinc/46/88/01/1130468801.db2.gz AWMSZOVCZBFPEN-OLZOCXBDSA-N 2 0 328.457 -0.426 20 0 EBADRP COC[C@H](O)C[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](OC)C1 ZINC001213127278 1130520151 /nfs/dbraw/zinc/52/01/51/1130520151.db2.gz RLGGFDGKDHJHNO-BZUAXINKSA-N 2 0 348.403 -0.229 20 0 EBADRP C[N@@H+]1CCCN(CCNC(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)CC1 ZINC001220303756 1130524872 /nfs/dbraw/zinc/52/48/72/1130524872.db2.gz BRGGADKSVQYSME-IRXDYDNUSA-N 2 0 337.512 -0.186 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCN1C(=O)CCC1=O ZINC001491561454 1130530448 /nfs/dbraw/zinc/53/04/48/1130530448.db2.gz WGQXDIVSMYYLPV-IHRRRGAJSA-N 2 0 338.452 -0.040 20 0 EBADRP COC(=O)c1cnc(CN2CC[NH2+]CCNCC[NH2+]CC2)s1 ZINC001235876474 1130531097 /nfs/dbraw/zinc/53/10/97/1130531097.db2.gz YLKPEBBCEMQLQS-UHFFFAOYSA-N 2 0 327.454 -0.486 20 0 EBADRP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCN1C(=O)CNC1=O ZINC001491992272 1130574371 /nfs/dbraw/zinc/57/43/71/1130574371.db2.gz QCWOVUKYXZWAMI-VXGBXAGGSA-N 2 0 325.413 -0.883 20 0 EBADRP C[C@H](CCNC(=O)c1ccn(CC[NH+](C)C)n1)[NH2+][C@H]1CCNC1=O ZINC001492023578 1130579784 /nfs/dbraw/zinc/57/97/84/1130579784.db2.gz AQGNUXZCBSOADH-OLZOCXBDSA-N 2 0 336.440 -0.569 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001492176930 1130589777 /nfs/dbraw/zinc/58/97/77/1130589777.db2.gz BBMALQKFRBNJLL-CABCVRRESA-N 2 0 340.468 -0.199 20 0 EBADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC001337512357 1130723817 /nfs/dbraw/zinc/72/38/17/1130723817.db2.gz GUMSPHYGKDNBSB-GASCZTMLSA-N 2 0 338.452 -0.589 20 0 EBADRP CN(CCOCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)CC(=O)N(C)C ZINC001479679977 1130736806 /nfs/dbraw/zinc/73/68/06/1130736806.db2.gz DPWPOINRPWAOIE-CQSZACIVSA-N 2 0 328.457 -0.567 20 0 EBADRP CNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001479805065 1130738240 /nfs/dbraw/zinc/73/82/40/1130738240.db2.gz UPEIEWGUYFBOPW-ZDUSSCGKSA-N 2 0 328.457 -0.330 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)C[NH+](C)C(C)C ZINC001479816545 1130738285 /nfs/dbraw/zinc/73/82/85/1130738285.db2.gz VAEUGIIYUFFDJF-GFCCVEGCSA-N 2 0 329.445 -0.391 20 0 EBADRP O=C(C[NH2+]C[C@@H]1CCCN(C(=O)Cn2ccnc2)C1)N1CCOCC1 ZINC001480306113 1130779750 /nfs/dbraw/zinc/77/97/50/1130779750.db2.gz IDGTVWREDOECCP-HNNXBMFYSA-N 2 0 349.435 -0.430 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1O ZINC001413971497 1130877786 /nfs/dbraw/zinc/87/77/86/1130877786.db2.gz FDLLKDMVSOPLNT-MGPQQGTHSA-N 2 0 349.435 -0.486 20 0 EBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H]2[NH2+]CC23CCOCC3)C1 ZINC001357150190 1131054848 /nfs/dbraw/zinc/05/48/48/1131054848.db2.gz FJKVMRZZSARRCJ-KGLIPLIRSA-N 2 0 338.452 -0.541 20 0 EBADRP C[NH2+]CCOCCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001357519481 1131098137 /nfs/dbraw/zinc/09/81/37/1131098137.db2.gz VSWOZHVNYBYRFM-IYBDPMFKSA-N 3 0 339.484 -0.167 20 0 EBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)NCCN1CCC([NH3+])CC1 ZINC001357581338 1131103889 /nfs/dbraw/zinc/10/38/89/1131103889.db2.gz DITHSKHGVAYNFZ-UHFFFAOYSA-N 2 0 342.532 -0.066 20 0 EBADRP [NH3+]CCN1CCC[C@@H](C(=O)NCCCCCN2CC[NH2+]CC2)C1=O ZINC001358214415 1131172350 /nfs/dbraw/zinc/17/23/50/1131172350.db2.gz UWSDIOWBXVFGJR-HNNXBMFYSA-N 2 0 339.484 -0.625 20 0 EBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H](C)CC[NH+](C)C ZINC001362581686 1131617225 /nfs/dbraw/zinc/61/72/25/1131617225.db2.gz HUVZEJDDUOITTL-HNNXBMFYSA-N 2 0 342.484 -0.177 20 0 EBADRP C[N@H+](CC(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)[C@@H]1CCC[C@H]1O ZINC001363284021 1131869863 /nfs/dbraw/zinc/86/98/63/1131869863.db2.gz IVZBOEROIQJVGY-ARFHVFGLSA-N 2 0 325.453 -0.111 20 0 EBADRP C[NH+]1CCN(C2CC[NH+](C[C@@H](O)C[C@@]3(O)CCOC3)CC2)CC1 ZINC001364477615 1132332890 /nfs/dbraw/zinc/33/28/90/1132332890.db2.gz VIIIFTAPRGEXAD-IRXDYDNUSA-N 2 0 327.469 -0.399 20 0 EBADRP CN(CC[NH+](C)C)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001365406298 1132654989 /nfs/dbraw/zinc/65/49/89/1132654989.db2.gz MDBINEIJLBCQPJ-UHFFFAOYSA-N 2 0 341.500 -0.014 20 0 EBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC001365558832 1132720990 /nfs/dbraw/zinc/72/09/90/1132720990.db2.gz VIDXDFPVEZTAJQ-CABCVRRESA-N 2 0 327.473 -0.622 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](CNC(=O)C3([NH+](C)C)CCC3)C2)nc1=O ZINC001365813216 1132814418 /nfs/dbraw/zinc/81/44/18/1132814418.db2.gz MLKFBNRNAYDJMK-TXEJJXNPSA-N 2 0 336.440 -0.423 20 0 EBADRP CC[C@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1)C(N)=O ZINC001365847476 1132830949 /nfs/dbraw/zinc/83/09/49/1132830949.db2.gz HZFJCHLHVWBPKJ-AJNGGQMLSA-N 2 0 340.468 -0.297 20 0 EBADRP C[NH+](C)CC1(C(=O)N2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2CC(N)=O)CC1 ZINC001365875187 1132851806 /nfs/dbraw/zinc/85/18/06/1132851806.db2.gz NJMVXKYOMIEMAK-XGUBFFRZSA-N 2 0 334.464 -0.018 20 0 EBADRP CNC(=O)[C@H](C)N1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001365997202 1132957331 /nfs/dbraw/zinc/95/73/31/1132957331.db2.gz QNTVFRVXMGRNRQ-STQMWFEESA-N 2 0 326.441 -0.578 20 0 EBADRP CC[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)N1CCOCC1)C1CC1)[NH+](C)C ZINC001366061153 1132986235 /nfs/dbraw/zinc/98/62/35/1132986235.db2.gz LGOPKQWYNYNSDJ-HUUCEWRRSA-N 2 0 340.468 -0.330 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001366092764 1132999863 /nfs/dbraw/zinc/99/98/63/1132999863.db2.gz WPQCIINTONAIAB-KKUMJFAQSA-N 2 0 338.452 -0.746 20 0 EBADRP CNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001366095716 1133001427 /nfs/dbraw/zinc/00/14/27/1133001427.db2.gz QNDJJHYIHMDYKK-STQMWFEESA-N 2 0 336.440 -0.617 20 0 EBADRP O=C(C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1)Nc1nncs1 ZINC001366101299 1133005299 /nfs/dbraw/zinc/00/52/99/1133005299.db2.gz CFTMLTQRLUGDHR-NSHDSACASA-N 2 0 338.437 -0.237 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC(=O)NCC)C1 ZINC001366102406 1133005935 /nfs/dbraw/zinc/00/59/35/1133005935.db2.gz LJRVGVXZJLEHJV-ZDUSSCGKSA-N 2 0 341.456 -0.246 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC[C@H]3CCOC3)C2)C1 ZINC001366129128 1133019224 /nfs/dbraw/zinc/01/92/24/1133019224.db2.gz FRJZJDJBGXNGRH-KBUPBQIOSA-N 2 0 338.452 -0.672 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC[C@@H]3CCOC3)C2)C1 ZINC001366129127 1133019906 /nfs/dbraw/zinc/01/99/06/1133019906.db2.gz FRJZJDJBGXNGRH-AJNGGQMLSA-N 2 0 338.452 -0.672 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)NC(N)=O ZINC001366145979 1133025577 /nfs/dbraw/zinc/02/55/77/1133025577.db2.gz QMMSMMLLJPEPQQ-YHWZYXNKSA-N 2 0 339.440 -0.367 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001366146460 1133026017 /nfs/dbraw/zinc/02/60/17/1133026017.db2.gz BIHRYFAQDMWSHB-OBPIAQAESA-N 2 0 339.440 -0.593 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001366147024 1133026787 /nfs/dbraw/zinc/02/67/87/1133026787.db2.gz OJFUYEBDUXNRAP-GRYCIOLGSA-N 2 0 345.419 -0.641 20 0 EBADRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC001366287330 1133085073 /nfs/dbraw/zinc/08/50/73/1133085073.db2.gz NUJFUOYWCJEBAM-KGLIPLIRSA-N 2 0 340.468 -0.140 20 0 EBADRP C[C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CC(=O)NC(N)=O ZINC001366336588 1133103346 /nfs/dbraw/zinc/10/33/46/1133103346.db2.gz OHZVQJHNJCAYJG-BMIGLBTASA-N 2 0 345.419 -0.512 20 0 EBADRP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CCN1CCCS1(=O)=O)[NH+](C)C ZINC001366346490 1133106894 /nfs/dbraw/zinc/10/68/94/1133106894.db2.gz MUSJLXZACWGVHC-ZIAGYGMSSA-N 2 0 348.513 -0.298 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001366365724 1133113749 /nfs/dbraw/zinc/11/37/49/1133113749.db2.gz KUYLHPUGZWRKCV-KGLIPLIRSA-N 2 0 348.513 -0.298 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001366375732 1133117331 /nfs/dbraw/zinc/11/73/31/1133117331.db2.gz AKOICZJVZVVFGP-GJZGRUSLSA-N 2 0 338.452 -0.434 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001366387388 1133124998 /nfs/dbraw/zinc/12/49/98/1133124998.db2.gz CMNFAQOGDJASAZ-OLZOCXBDSA-N 2 0 341.456 -0.249 20 0 EBADRP Cc1cc(NC(=O)C[NH2+][C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)n(C)n1 ZINC001366393488 1133127729 /nfs/dbraw/zinc/12/77/29/1133127729.db2.gz UKNOZYLSXXRDIN-AWEZNQCLSA-N 2 0 348.451 -0.047 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001366398463 1133130627 /nfs/dbraw/zinc/13/06/27/1133130627.db2.gz WUKNPINGYKPODU-LBPRGKRZSA-N 2 0 341.456 -0.390 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001366399847 1133130663 /nfs/dbraw/zinc/13/06/63/1133130663.db2.gz KEOUKRXPWJALMB-RWMBFGLXSA-N 2 0 339.440 -0.650 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)[C@@H](C)C(=O)NC(N)=O)C1 ZINC001366446095 1133146784 /nfs/dbraw/zinc/14/67/84/1133146784.db2.gz GGWUUSWDYCUKCK-QWHCGFSZSA-N 2 0 341.456 -0.166 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001366460018 1133148991 /nfs/dbraw/zinc/14/89/91/1133148991.db2.gz KGMKLWMMIQPAHF-VXGBXAGGSA-N 2 0 327.429 -0.460 20 0 EBADRP C[C@@H](CCNC(=O)C(C)(C)C[NH+]1CCOCC1)[NH2+]CC(=O)N(C)C ZINC001366480059 1133154777 /nfs/dbraw/zinc/15/47/77/1133154777.db2.gz SYOUGELRUKYSMK-AWEZNQCLSA-N 2 0 342.484 -0.083 20 0 EBADRP C[C@@H]([NH2+][C@@H](C)CCNC(=O)C[NH+]1CCC(C)CC1)C(=O)NC(N)=O ZINC001366485159 1133155879 /nfs/dbraw/zinc/15/58/79/1133155879.db2.gz DSQLGSNBAOSBSR-QWHCGFSZSA-N 2 0 341.456 -0.214 20 0 EBADRP C[C@H](CCNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC(=O)NC(N)=O ZINC001366493953 1133158669 /nfs/dbraw/zinc/15/86/69/1133158669.db2.gz SPEITHWGKGDMOI-LLVKDONJSA-N 2 0 327.429 -0.602 20 0 EBADRP CN(CC[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1)S(C)(=O)=O ZINC001366688749 1133249769 /nfs/dbraw/zinc/24/97/69/1133249769.db2.gz KDASAISJIGEKNR-CYBMUJFWSA-N 2 0 334.486 -0.732 20 0 EBADRP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001366688862 1133251082 /nfs/dbraw/zinc/25/10/82/1133251082.db2.gz LGLKAZOGMHLUOV-LBPRGKRZSA-N 2 0 327.429 -0.778 20 0 EBADRP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001366703985 1133262843 /nfs/dbraw/zinc/26/28/43/1133262843.db2.gz DITOPHYYTMJMCX-HIFRSBDPSA-N 2 0 340.468 -0.201 20 0 EBADRP CCN1CC[C@@H]([NH2+]CCN(C)C(=O)COC2CC[NH+](C)CC2)C1=O ZINC001366768165 1133289683 /nfs/dbraw/zinc/28/96/83/1133289683.db2.gz ISBFHKHEAPNPLU-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP CN(CC[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)C(=O)CC[NH+](C)C ZINC001366775598 1133293478 /nfs/dbraw/zinc/29/34/78/1133293478.db2.gz NKNZUFRTHPYHAC-AWEZNQCLSA-N 2 0 336.440 -0.475 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001366830753 1133309061 /nfs/dbraw/zinc/30/90/61/1133309061.db2.gz AFLMJLGIVMRYJT-OLZOCXBDSA-N 2 0 341.456 -0.260 20 0 EBADRP C[NH+](C)CCC(=O)NCC[C@@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001366831704 1133309335 /nfs/dbraw/zinc/30/93/35/1133309335.db2.gz DHKABENHQCBVQF-CQSZACIVSA-N 2 0 325.457 -0.209 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CC[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001366853476 1133321456 /nfs/dbraw/zinc/32/14/56/1133321456.db2.gz PFBUHFRVGPULQN-CABCVRRESA-N 2 0 325.453 -0.082 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CC[C@@H](C[N@H+](C)CC(=O)NC(N)=O)C2)CC1 ZINC001366863695 1133329257 /nfs/dbraw/zinc/32/92/57/1133329257.db2.gz DIURWNGCQQPQHR-LBPRGKRZSA-N 2 0 339.440 -0.697 20 0 EBADRP CCCNC(=O)[C@H](C)N1CC[C@H](NC(=O)CCN2CCOCC2)C1 ZINC001367016262 1133427636 /nfs/dbraw/zinc/42/76/36/1133427636.db2.gz GGQLTDRLFAZYJF-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC(=O)NC(=O)NC ZINC001367096219 1133473717 /nfs/dbraw/zinc/47/37/17/1133473717.db2.gz ALXOEEAJUXWMMT-VXGBXAGGSA-N 2 0 327.429 -0.589 20 0 EBADRP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)Nc1cnccn1 ZINC001367113892 1133479138 /nfs/dbraw/zinc/47/91/38/1133479138.db2.gz OVZDAKIDTFFYRQ-QWHCGFSZSA-N 2 0 334.424 -0.006 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC(=O)NC)CC[N@@H+]1C ZINC001367244899 1133513871 /nfs/dbraw/zinc/51/38/71/1133513871.db2.gz RSENMIITYVXHMQ-RWMBFGLXSA-N 2 0 341.456 -0.486 20 0 EBADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C[NH2+]C[C@H](O)CN1CCCC1=O ZINC001367280037 1133523829 /nfs/dbraw/zinc/52/38/29/1133523829.db2.gz XXEHYBGAOUXEBJ-SOUVJXGZSA-N 2 0 340.468 -0.594 20 0 EBADRP C[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(N)=O)[NH+]1CCCCCC1 ZINC001367390510 1133575554 /nfs/dbraw/zinc/57/55/54/1133575554.db2.gz ZCRNIJCOONXNMS-QWHCGFSZSA-N 2 0 341.456 -0.118 20 0 EBADRP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCC(C)CC1)C(=O)NC(N)=O ZINC001367397414 1133577977 /nfs/dbraw/zinc/57/79/77/1133577977.db2.gz PELODQTVGPICTN-QWHCGFSZSA-N 2 0 341.456 -0.262 20 0 EBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC001367430757 1133587939 /nfs/dbraw/zinc/58/79/39/1133587939.db2.gz MHSJTEONFAHEBH-VXGBXAGGSA-N 2 0 327.429 -0.650 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001367585701 1133655644 /nfs/dbraw/zinc/65/56/44/1133655644.db2.gz URRCZSRUCLMIBY-CQSZACIVSA-N 2 0 342.484 -0.204 20 0 EBADRP CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)C2([NH+](C)C)CCC2)C1=O ZINC001367589960 1133660795 /nfs/dbraw/zinc/66/07/95/1133660795.db2.gz CBVPFHHZNCJIGS-OLZOCXBDSA-N 2 0 326.441 -0.842 20 0 EBADRP CC(C)N1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001367600918 1133677746 /nfs/dbraw/zinc/67/77/46/1133677746.db2.gz LZDBXWMRAVTEKL-KGLIPLIRSA-N 2 0 340.468 -0.596 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001367607355 1133686828 /nfs/dbraw/zinc/68/68/28/1133686828.db2.gz METOINYVCIZQBG-HOTGVXAUSA-N 2 0 348.447 -0.164 20 0 EBADRP CC1CC[NH+](CC(=O)NC[C@@H](O)C[NH2+][C@H]2CCCN(C)C2=O)CC1 ZINC001367618233 1133700857 /nfs/dbraw/zinc/70/08/57/1133700857.db2.gz YCLOIAKDKOQPQK-GJZGRUSLSA-N 2 0 340.468 -0.594 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001367622045 1133707100 /nfs/dbraw/zinc/70/71/00/1133707100.db2.gz QWGNEXBQFFJNLW-OAHLLOKOSA-N 2 0 342.484 -0.348 20 0 EBADRP COc1nscc1C[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001367627423 1133714749 /nfs/dbraw/zinc/71/47/49/1133714749.db2.gz VHUPDJICKZGQRT-GFCCVEGCSA-N 2 0 340.449 -0.186 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](O)C[NH2+]Cc1cncs1 ZINC001367628513 1133717220 /nfs/dbraw/zinc/71/72/20/1133717220.db2.gz VBJVMLBIGRRXOD-STQMWFEESA-N 2 0 342.465 -0.322 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC(=O)NC(C)(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367713045 1133756315 /nfs/dbraw/zinc/75/63/15/1133756315.db2.gz UFHFMOLBNXKNSS-VXGBXAGGSA-N 2 0 341.456 -0.343 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001367714484 1133756832 /nfs/dbraw/zinc/75/68/32/1133756832.db2.gz DCDSHXSDNTYJJI-HUUCEWRRSA-N 2 0 342.484 -0.084 20 0 EBADRP C[C@H](C[NH2+]CC(=O)Nc1nncs1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001367713956 1133757271 /nfs/dbraw/zinc/75/72/71/1133757271.db2.gz YJTSSUAZXFPZIH-ZJUUUORDSA-N 2 0 326.426 -0.477 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001367737260 1133765470 /nfs/dbraw/zinc/76/54/70/1133765470.db2.gz KJAXANSIPARTCW-NSHDSACASA-N 2 0 325.413 -0.848 20 0 EBADRP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCO[C@@H](C)C1)[NH+](C)C ZINC001367754867 1133772736 /nfs/dbraw/zinc/77/27/36/1133772736.db2.gz GSRROFFJGFLEKQ-OFQRWUPVSA-N 2 0 342.484 -0.086 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NC1CCOCC1)[NH+](C)C ZINC001367767031 1133776872 /nfs/dbraw/zinc/77/68/72/1133776872.db2.gz YZIIODBDZGSMTN-BBRMVZONSA-N 2 0 342.484 -0.038 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001367766499 1133777387 /nfs/dbraw/zinc/77/73/87/1133777387.db2.gz RNUAEUNDAQLTPH-LBPRGKRZSA-N 2 0 339.440 -0.980 20 0 EBADRP C[C@@H]([NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1)C(=O)NC(N)=O ZINC001367906056 1133833921 /nfs/dbraw/zinc/83/39/21/1133833921.db2.gz ABOOLWUWXFQRMH-MFKMUULPSA-N 2 0 339.440 -0.604 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001368025052 1133902005 /nfs/dbraw/zinc/90/20/05/1133902005.db2.gz ZXPUGGFWUICFQT-GFCCVEGCSA-N 2 0 339.440 -0.445 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCN([C@H]2CC[NH+](CC(=O)NC)C2)CC1 ZINC001368151617 1133963172 /nfs/dbraw/zinc/96/31/72/1133963172.db2.gz YRMJHTJQWHSUEB-HNNXBMFYSA-N 2 0 339.484 -0.707 20 0 EBADRP CC[C@H](C(N)=O)[N@@H+]1CC[C@](C)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001368178116 1133980100 /nfs/dbraw/zinc/98/01/00/1133980100.db2.gz NLRLDAZCVYYFRZ-PBHICJAKSA-N 2 0 340.468 -0.058 20 0 EBADRP COCC[N@@H+]1CC[C@](O)(CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001368246863 1134020861 /nfs/dbraw/zinc/02/08/61/1134020861.db2.gz OGGPCGPJMVZSGI-INIZCTEOSA-N 2 0 339.440 -0.742 20 0 EBADRP COC[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001368279754 1134093598 /nfs/dbraw/zinc/09/35/98/1134093598.db2.gz ZWOZLYLQZYCEJU-WBVHZDCISA-N 2 0 343.468 -0.577 20 0 EBADRP C[NH+](C)C1(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@@H]3C2)CCC1 ZINC001368355785 1134160753 /nfs/dbraw/zinc/16/07/53/1134160753.db2.gz BUPGAANFPLNRCN-TXEJJXNPSA-N 2 0 337.424 -0.944 20 0 EBADRP C[C@@H]([NH2+]C1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(N)=O ZINC001368362998 1134166396 /nfs/dbraw/zinc/16/63/96/1134166396.db2.gz BSPRMGDXJZAXOF-OCCSQVGLSA-N 2 0 325.457 -0.875 20 0 EBADRP Cn1cc(CC[N@@H+]2CCC[C@@](CO)(NC(=O)[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001368392456 1134194661 /nfs/dbraw/zinc/19/46/61/1134194661.db2.gz QHJCYUNXCREZDZ-SJLPKXTDSA-N 2 0 349.479 -0.143 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N(CCO)CC[NH2+][C@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001368399427 1134204909 /nfs/dbraw/zinc/20/49/09/1134204909.db2.gz RNKCEJNDVJMXLX-KKUMJFAQSA-N 2 0 340.468 -0.642 20 0 EBADRP CC(C)[C@@H](C(=O)N(CCO)CC[NH2+][C@@H]1CCCN(C)C1=O)[NH+](C)C ZINC001368409795 1134211260 /nfs/dbraw/zinc/21/12/60/1134211260.db2.gz LVZLJSURTGJJAA-CABCVRRESA-N 2 0 342.484 -0.396 20 0 EBADRP NC(=O)NC(=O)C[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCC1 ZINC001368480389 1134247531 /nfs/dbraw/zinc/24/75/31/1134247531.db2.gz WMBOSEXFPQKJRG-UHFFFAOYSA-N 2 0 337.424 -0.562 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001368493839 1134251492 /nfs/dbraw/zinc/25/14/92/1134251492.db2.gz CFXCJUDHWYHJRZ-TUAOUCFPSA-N 2 0 325.413 -0.850 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001368508300 1134261072 /nfs/dbraw/zinc/26/10/72/1134261072.db2.gz AFVFOZHQOYGUNW-RYUDHWBXSA-N 2 0 327.429 -0.508 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1 ZINC001368523272 1134273499 /nfs/dbraw/zinc/27/34/99/1134273499.db2.gz XLSRKVKNAIVBGF-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP CCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CCO1 ZINC001368532275 1134278799 /nfs/dbraw/zinc/27/87/99/1134278799.db2.gz KJMJXDXLCZUOIC-GJZGRUSLSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H]1CN(C(=O)C[N@H+](C)CCCN(C)C(=O)CC[NH+](C)C)CCO1 ZINC001368555370 1134289615 /nfs/dbraw/zinc/28/96/15/1134289615.db2.gz UYJYOHHBWXIBMM-OAHLLOKOSA-N 2 0 342.484 -0.034 20 0 EBADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCO1 ZINC001368563246 1134291582 /nfs/dbraw/zinc/29/15/82/1134291582.db2.gz AMCIXKJYVMPYEJ-CABCVRRESA-N 2 0 340.468 -0.188 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001368583647 1134305479 /nfs/dbraw/zinc/30/54/79/1134305479.db2.gz YDXBPIVUQRTUOL-UMSPYCQHSA-N 2 0 325.413 -0.993 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001368603254 1134317511 /nfs/dbraw/zinc/31/75/11/1134317511.db2.gz BWNVKDOSRNTPOJ-KBUPBQIOSA-N 2 0 338.452 -0.672 20 0 EBADRP CNC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001368611906 1134323873 /nfs/dbraw/zinc/32/38/73/1134323873.db2.gz HHGVOKQSINIBEP-WMLDXEAASA-N 2 0 340.468 -0.450 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001368634684 1134347452 /nfs/dbraw/zinc/34/74/52/1134347452.db2.gz CGKKOYFDVZQJJR-CHWSQXEVSA-N 2 0 326.441 -0.672 20 0 EBADRP CCNC(=O)C[NH2+]CC1(NC(=O)C[N@H+](C)C(C)C)CCOCC1 ZINC001368635528 1134348205 /nfs/dbraw/zinc/34/82/05/1134348205.db2.gz YXTHOMINWVMMAQ-UHFFFAOYSA-N 2 0 328.457 -0.282 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CC(=O)NC(N)=O)CC[C@@H]2C1 ZINC001368735801 1134414157 /nfs/dbraw/zinc/41/41/57/1134414157.db2.gz NAQGCOHOPIOFPY-OLZOCXBDSA-N 2 0 339.440 -0.697 20 0 EBADRP C[C@@H](O)C[N@H+](CCO)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001368738791 1134414964 /nfs/dbraw/zinc/41/49/64/1134414964.db2.gz VSEDJMBREAMLKV-HUUCEWRRSA-N 2 0 325.453 -0.252 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC2(CC[NH+]([C@@H]3CCNC3=O)CC2)C1 ZINC001368753548 1134417693 /nfs/dbraw/zinc/41/76/93/1134417693.db2.gz JNAOMEUSPYRJRE-CQSZACIVSA-N 2 0 338.452 -0.480 20 0 EBADRP COCC[NH+]1CCC(CO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001368760796 1134423288 /nfs/dbraw/zinc/42/32/88/1134423288.db2.gz LSPIBCXUUHUJDX-HNNXBMFYSA-N 2 0 325.453 -0.082 20 0 EBADRP COCC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001368760802 1134423730 /nfs/dbraw/zinc/42/37/30/1134423730.db2.gz LSPIBCXUUHUJDX-OAHLLOKOSA-N 2 0 325.453 -0.082 20 0 EBADRP COC[C@@H](O)C[NH+]1CCC(CO)(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001368773213 1134434358 /nfs/dbraw/zinc/43/43/58/1134434358.db2.gz SZOFAKJULPUNEL-AWEZNQCLSA-N 2 0 341.452 -0.967 20 0 EBADRP Cc1c(C(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)NC(N)=O)ccc2c[nH+]cn21 ZINC001368854914 1134465912 /nfs/dbraw/zinc/46/59/12/1134465912.db2.gz CKUJMAQJLSFUOE-UWVGGRQHSA-N 2 0 346.391 -0.066 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2(CCO)C[NH+](C[C@H]3CCCOC3)C2)C1 ZINC001369035556 1134541932 /nfs/dbraw/zinc/54/19/32/1134541932.db2.gz QVNRLGHYRDLXPA-CABCVRRESA-N 2 0 325.453 -0.082 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](C[C@@H](O)Cn3cccn3)C[C@H]21 ZINC001369146681 1134591245 /nfs/dbraw/zinc/59/12/45/1134591245.db2.gz HERFLVHBSVNRSG-VQHPVUNQSA-N 2 0 349.479 -0.122 20 0 EBADRP C[C@H]([NH2+]CC(=O)NC1CC1)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001369149412 1134593575 /nfs/dbraw/zinc/59/35/75/1134593575.db2.gz LBTBAKJODSGFFN-JSGCOSHPSA-N 2 0 326.441 -0.578 20 0 EBADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001369184256 1134609699 /nfs/dbraw/zinc/60/96/99/1134609699.db2.gz DLFJNESDGUXYOW-GFCCVEGCSA-N 2 0 339.440 -0.412 20 0 EBADRP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)N1CCOCC1 ZINC001369241819 1134626457 /nfs/dbraw/zinc/62/64/57/1134626457.db2.gz VMUXBPMOIGWWGE-UONOGXRCSA-N 2 0 326.441 -0.624 20 0 EBADRP C[C@@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+]CCN1CCNC1=O ZINC001369250857 1134629193 /nfs/dbraw/zinc/62/91/93/1134629193.db2.gz OFJSRZHHIHXWBE-ZDUSSCGKSA-N 2 0 325.457 -0.068 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]CCc2ccnn2C)CC[N@@H+]1C ZINC001369320534 1134660329 /nfs/dbraw/zinc/66/03/29/1134660329.db2.gz CJSQNYDETLYTAB-CWRNSKLLSA-N 2 0 337.468 -0.240 20 0 EBADRP CC(C)N(C)C(=O)[C@H](C)[NH2+][C@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001369325009 1134666212 /nfs/dbraw/zinc/66/62/12/1134666212.db2.gz QGCQABDTSSMPGV-KBPBESRZSA-N 2 0 342.484 -0.207 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1sccc1C[NH+](C)C ZINC001369341347 1134688267 /nfs/dbraw/zinc/68/82/67/1134688267.db2.gz LPDQCSOHKLFBFK-PWSUYJOCSA-N 2 0 342.465 -0.376 20 0 EBADRP C[C@H]([NH2+][C@@H](CO)CNC(=O)C[NH+]1CCC(C)CC1)C(=O)N(C)C ZINC001369361167 1134712780 /nfs/dbraw/zinc/71/27/80/1134712780.db2.gz KKIAPPDSYIGHDA-UONOGXRCSA-N 2 0 328.457 -0.738 20 0 EBADRP C[C@@H]([NH2+][C@@H](CO)CNC(=O)C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001369375961 1134734415 /nfs/dbraw/zinc/73/44/15/1134734415.db2.gz CVHWLNBEIBYBBH-BXUZGUMPSA-N 2 0 326.441 -0.951 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](CO)[NH2+]Cc1cncs1 ZINC001369381094 1134742702 /nfs/dbraw/zinc/74/27/02/1134742702.db2.gz ITADAKRHIXTEMY-OLZOCXBDSA-N 2 0 342.465 -0.322 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001369446409 1134784951 /nfs/dbraw/zinc/78/49/51/1134784951.db2.gz BTHINLPGPSYJMR-UONOGXRCSA-N 2 0 328.457 -0.644 20 0 EBADRP Cc1nn(C)cc1C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001369467183 1134812857 /nfs/dbraw/zinc/81/28/57/1134812857.db2.gz LJVHWVRPSJFFKK-IRXDYDNUSA-N 2 0 349.479 -0.021 20 0 EBADRP CN(C[C@H](O)C[NH2+]CC(=O)N1CCCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001369479565 1134844772 /nfs/dbraw/zinc/84/47/72/1134844772.db2.gz CCQKTPUPRBVKJI-CQSZACIVSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)c1cccc(C[NH+](C)C)c1)C(N)=O ZINC001369490259 1134864052 /nfs/dbraw/zinc/86/40/52/1134864052.db2.gz OTLNDJZZDILRKU-DOMZBBRYSA-N 2 0 336.436 -0.356 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2(CCO)CN(C(=O)CCc3c[nH]cn3)C2)C1 ZINC001369988851 1135141368 /nfs/dbraw/zinc/14/13/68/1135141368.db2.gz LYRCFBIKWGORQX-ZDUSSCGKSA-N 2 0 349.435 -0.626 20 0 EBADRP CC(C)(C(=O)NC[C@H]([NH2+]CC(=O)NC(N)=O)C1CC1)[NH+]1CCCC1 ZINC001370214892 1135253682 /nfs/dbraw/zinc/25/36/82/1135253682.db2.gz FEFMFGSUCVZDOH-LBPRGKRZSA-N 2 0 339.440 -0.460 20 0 EBADRP O=C(Cc1c[nH]cn1)NC[C@H]([NH2+]CC(=O)N1CCOCC1)C1CC1 ZINC001370330647 1135306945 /nfs/dbraw/zinc/30/69/45/1135306945.db2.gz MKBZIBWJIIHERR-AWEZNQCLSA-N 2 0 335.408 -0.705 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001370504808 1135380413 /nfs/dbraw/zinc/38/04/13/1135380413.db2.gz XXRSILDBNIEPRN-LPWJVIDDSA-N 2 0 339.440 -0.448 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1)C(=O)NC(N)=O ZINC001370514183 1135385548 /nfs/dbraw/zinc/38/55/48/1135385548.db2.gz DUWZINYGNHSTAQ-DLOVCJGASA-N 2 0 325.413 -0.852 20 0 EBADRP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC3CC3)C2)CC1 ZINC001370540145 1135399671 /nfs/dbraw/zinc/39/96/71/1135399671.db2.gz IUFWYHKWKPPOPD-HDJSIYSDSA-N 2 0 338.452 -0.387 20 0 EBADRP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1)[NH+](C)C ZINC001370545035 1135403094 /nfs/dbraw/zinc/40/30/94/1135403094.db2.gz DJNJOWQAMFNUFG-FIQHERPVSA-N 2 0 327.429 -0.607 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCc3cccnc3)C2)C1 ZINC001370564797 1135411857 /nfs/dbraw/zinc/41/18/57/1135411857.db2.gz VSQQOEVBUUWNKU-BZUAXINKSA-N 2 0 345.447 -0.114 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)NC(N)=O ZINC001370580172 1135417600 /nfs/dbraw/zinc/41/76/00/1135417600.db2.gz CUMYIZJXBJXYAJ-PSEXLTFBSA-N 2 0 337.424 -0.613 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H](O)Cn3cccn3)C2)CC1 ZINC001370668195 1135471984 /nfs/dbraw/zinc/47/19/84/1135471984.db2.gz TWMUGIANOGBULB-OWCLPIDISA-N 2 0 335.452 -0.177 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001370669751 1135474902 /nfs/dbraw/zinc/47/49/02/1135474902.db2.gz HCDVLYMRMKDUKD-QXSJWSMHSA-N 2 0 335.452 -0.035 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@@H](CO)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001370710350 1135531239 /nfs/dbraw/zinc/53/12/39/1135531239.db2.gz WVALWKJPRNOECP-GJZGRUSLSA-N 2 0 338.452 -0.983 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NC[C@@H](CO)NC(=O)CCC[NH+](C)C)CC[N@@H+]1C ZINC001370780547 1135625986 /nfs/dbraw/zinc/62/59/86/1135625986.db2.gz RVGVNBUPCMKNIV-KKUMJFAQSA-N 2 0 342.484 -0.348 20 0 EBADRP C[C@H]1C[C@@H](C(=O)N[C@@H](CO)CNC(=O)CCC[NH+](C)C)CC[N@@H+]1C ZINC001370783005 1135628027 /nfs/dbraw/zinc/62/80/27/1135628027.db2.gz XYMDERFPXFQORH-SOUVJXGZSA-N 2 0 342.484 -0.348 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001370857705 1135674009 /nfs/dbraw/zinc/67/40/09/1135674009.db2.gz YLZQVVDVQJVDLS-CHWSQXEVSA-N 2 0 341.456 -0.390 20 0 EBADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](O)COC)C[C@H]21 ZINC001371008675 1135768001 /nfs/dbraw/zinc/76/80/01/1135768001.db2.gz BYBOENPHMORFDJ-ARKGTOAJSA-N 2 0 325.453 -0.086 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001371215048 1135866183 /nfs/dbraw/zinc/86/61/83/1135866183.db2.gz WLKHSESHQWRVGI-YPMHNXCESA-N 2 0 329.445 -0.487 20 0 EBADRP CN1CCO[C@@H](C(=O)N2CC[C@H]3CN(C(=O)CC[NH+](C)C)C[C@H]32)C1 ZINC001371434315 1135909466 /nfs/dbraw/zinc/90/94/66/1135909466.db2.gz LIOBURBYZDQWOG-RRFJBIMHSA-N 2 0 338.452 -0.672 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)s1 ZINC001371472733 1135930265 /nfs/dbraw/zinc/93/02/65/1135930265.db2.gz MUVSTOXLFRWXDT-ONGXEEELSA-N 2 0 340.453 -0.169 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)[NH+](CC)CC ZINC001371542803 1135964459 /nfs/dbraw/zinc/96/44/59/1135964459.db2.gz ZXEUSIWQUNBEMX-ILXRZTDVSA-N 2 0 342.484 -0.254 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)[NH+](CC)CC ZINC001371542806 1135964529 /nfs/dbraw/zinc/96/45/29/1135964529.db2.gz ZXEUSIWQUNBEMX-KFWWJZLASA-N 2 0 342.484 -0.254 20 0 EBADRP CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001371615381 1135985541 /nfs/dbraw/zinc/98/55/41/1135985541.db2.gz LCHCXAIJDSZONH-ZDUSSCGKSA-N 2 0 336.440 -0.758 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001371618714 1135986167 /nfs/dbraw/zinc/98/61/67/1135986167.db2.gz OGSKHEOOJUWREI-NEPJUHHUSA-N 2 0 327.429 -0.650 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001371768572 1136017198 /nfs/dbraw/zinc/01/71/98/1136017198.db2.gz GUFHPNODRLQDIU-YPMHNXCESA-N 2 0 329.445 -0.487 20 0 EBADRP C[C@@H](CCNC(=O)C[NH+]1CCC(C)CC1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001371855993 1136039983 /nfs/dbraw/zinc/03/99/83/1136039983.db2.gz IBWATMZUSSXSKG-ZDUSSCGKSA-N 2 0 338.456 -0.175 20 0 EBADRP CCN(CCNC(=O)[C@@H]1CN(C)CCO1)CC(=O)N(CC)C1CC1 ZINC001372291552 1136166145 /nfs/dbraw/zinc/16/61/45/1136166145.db2.gz AMOYHIPMQGYUDK-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CCN1CCNC1=O)[NH+](C)C ZINC001372551022 1136229266 /nfs/dbraw/zinc/22/92/66/1136229266.db2.gz HRTCUJJLSCLFGC-KGLIPLIRSA-N 2 0 325.457 -0.068 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)C1)[NH+](C)C ZINC001372601179 1136242876 /nfs/dbraw/zinc/24/28/76/1136242876.db2.gz AWHKGGJXMKOFKL-BARDWOONSA-N 2 0 340.468 -0.333 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH+](C[C@H](O)Cn2cccn2)C2CC2)C1 ZINC001372897271 1136318137 /nfs/dbraw/zinc/31/81/37/1136318137.db2.gz PVUCPPHPRMYIQL-HOCLYGCPSA-N 2 0 335.452 -0.224 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001372941806 1136332946 /nfs/dbraw/zinc/33/29/46/1136332946.db2.gz CDRHXNXHIJDSSX-VXGBXAGGSA-N 2 0 327.429 -0.780 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001372942901 1136333471 /nfs/dbraw/zinc/33/34/71/1136333471.db2.gz TYKONCRLOFMDLA-STQMWFEESA-N 2 0 343.472 -0.145 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CC[NH2+][C@@H]1CCCN(C)C1=O ZINC001372989716 1136347480 /nfs/dbraw/zinc/34/74/80/1136347480.db2.gz KPWSJZWBKXXGNY-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CCN2CCNC2=O)C1)[NH+](C)C ZINC001373690918 1136538415 /nfs/dbraw/zinc/53/84/15/1136538415.db2.gz QULQVBUIVNYWSA-ZIAGYGMSSA-N 2 0 325.457 -0.116 20 0 EBADRP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001373757591 1136553822 /nfs/dbraw/zinc/55/38/22/1136553822.db2.gz HGAGGGALWXEXFO-NEPJUHHUSA-N 2 0 341.456 -0.201 20 0 EBADRP CCN1CCO[C@@H](C(=O)N[C@@](C)(C[NH2+]CC(=O)NC)C2CC2)C1 ZINC001373901217 1136583646 /nfs/dbraw/zinc/58/36/46/1136583646.db2.gz QDJSCGSQVAHWMW-CJNGLKHVSA-N 2 0 326.441 -0.672 20 0 EBADRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001374072730 1136617784 /nfs/dbraw/zinc/61/77/84/1136617784.db2.gz NCVOFVUXIKRQQM-QWRGUYRKSA-N 2 0 327.429 -0.747 20 0 EBADRP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C[NH2+]CC(=O)NC(N)=O ZINC001374084303 1136619529 /nfs/dbraw/zinc/61/95/29/1136619529.db2.gz VLPWIYNOWFLPIR-LLVKDONJSA-N 2 0 327.429 -0.745 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C[NH2+]CC(=O)NCC(F)(F)F ZINC001374108914 1136623965 /nfs/dbraw/zinc/62/39/65/1136623965.db2.gz MVEOLKPWKPBCMN-MNOVXSKESA-N 2 0 338.374 -0.042 20 0 EBADRP C[C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)C[NH2+]Cc1cnon1 ZINC001374109962 1136624127 /nfs/dbraw/zinc/62/41/27/1136624127.db2.gz QUHYCKAVOWDONT-QWHCGFSZSA-N 2 0 325.413 -0.120 20 0 EBADRP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C(C)(C)C[NH+]1CCOCC1)C(N)=O ZINC001374251394 1136658467 /nfs/dbraw/zinc/65/84/67/1136658467.db2.gz MWFIZEJPBHIWBU-QWHCGFSZSA-N 2 0 328.457 -0.345 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)Nc1cnccn1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374329928 1136675476 /nfs/dbraw/zinc/67/54/76/1136675476.db2.gz ZJZBDXSBNXVIJN-QWHCGFSZSA-N 2 0 334.424 -0.197 20 0 EBADRP COc1cc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CCC[N@@H+]2C)sn1 ZINC001374589593 1136732198 /nfs/dbraw/zinc/73/21/98/1136732198.db2.gz INJNXPADKBZCHX-PWSUYJOCSA-N 2 0 328.438 -0.187 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC(C)(C)C)CCC1 ZINC001374612554 1136745983 /nfs/dbraw/zinc/74/59/83/1136745983.db2.gz BDPMCMRHSZXECN-ZDUSSCGKSA-N 2 0 342.484 -0.300 20 0 EBADRP CN1CCC[C@H]([NH2+]C[C@H](O)CNC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001374614654 1136747992 /nfs/dbraw/zinc/74/79/92/1136747992.db2.gz HEEVHMOZFFBLOD-KBPBESRZSA-N 2 0 326.441 -0.842 20 0 EBADRP CCN(CC)C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001374616161 1136749928 /nfs/dbraw/zinc/74/99/28/1136749928.db2.gz DKKCRGACGGTEPG-KBPBESRZSA-N 2 0 328.457 -0.594 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C ZINC001374617788 1136752523 /nfs/dbraw/zinc/75/25/23/1136752523.db2.gz WONPAWSONIHAGG-KBPBESRZSA-N 2 0 342.484 -0.158 20 0 EBADRP Cc1c(C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C)ccc2c[nH+]cn21 ZINC001374626081 1136757917 /nfs/dbraw/zinc/75/79/17/1136757917.db2.gz SQEQNFVKQGXIOC-ZDUSSCGKSA-N 2 0 333.392 -0.589 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001374654244 1136777867 /nfs/dbraw/zinc/77/78/67/1136777867.db2.gz WZISULMWTYRIKL-HUUCEWRRSA-N 2 0 342.484 -0.158 20 0 EBADRP CCC(C)(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001374667127 1136787818 /nfs/dbraw/zinc/78/78/18/1136787818.db2.gz ATRJMNYRFVEDQN-ZDUSSCGKSA-N 2 0 340.468 -0.546 20 0 EBADRP NC(=O)c1cccc(C[NH2+]C[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001374674319 1136792730 /nfs/dbraw/zinc/79/27/30/1136792730.db2.gz XZZFESDACFMKTI-OAHLLOKOSA-N 2 0 346.431 -0.552 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001374681713 1136798067 /nfs/dbraw/zinc/79/80/67/1136798067.db2.gz DVLYLJSXRNWVIO-GJZGRUSLSA-N 2 0 340.468 -0.453 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](O)C[NH2+]Cc1ccns1 ZINC001374681793 1136798088 /nfs/dbraw/zinc/79/80/88/1136798088.db2.gz GBLCWEDIWVTVDI-CHWSQXEVSA-N 2 0 342.465 -0.322 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cccc3c2OCCO3)C1 ZINC001374687151 1136802557 /nfs/dbraw/zinc/80/25/57/1136802557.db2.gz ZJISQFBUYOALQF-CABCVRRESA-N 2 0 349.431 -0.024 20 0 EBADRP CCN(CC[NH2+][C@@H](C)C(=O)NC(N)=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001374724242 1136814697 /nfs/dbraw/zinc/81/46/97/1136814697.db2.gz WQXGVODIPNVQBG-LBPRGKRZSA-N 2 0 341.456 -0.118 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001374799537 1136835580 /nfs/dbraw/zinc/83/55/80/1136835580.db2.gz OMUBKJHOVAGVAX-NEPJUHHUSA-N 2 0 327.429 -0.589 20 0 EBADRP C[C@H](C[NH2+]CC(=O)Nc1nncs1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001374808167 1136838123 /nfs/dbraw/zinc/83/81/23/1136838123.db2.gz UUZJLHOPLZXHBB-SNVBAGLBSA-N 2 0 340.453 -0.087 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N1CCOCC1)[NH+](C)C ZINC001374834101 1136846108 /nfs/dbraw/zinc/84/61/08/1136846108.db2.gz RGHVMKMWMICSOV-HIFRSBDPSA-N 2 0 328.457 -0.474 20 0 EBADRP CCn1ncc(CNC[C@@H](C)NC(=O)[C@H](C)C[NH+]2CCOCC2)n1 ZINC001374847379 1136851964 /nfs/dbraw/zinc/85/19/64/1136851964.db2.gz OMAKZZPSGGOISX-ZIAGYGMSSA-N 2 0 338.456 -0.139 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)n(C)n1 ZINC001374848854 1136852489 /nfs/dbraw/zinc/85/24/89/1136852489.db2.gz ZFGHEQUTYWLSNT-CHWSQXEVSA-N 2 0 336.440 -0.287 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001374899023 1136868184 /nfs/dbraw/zinc/86/81/84/1136868184.db2.gz RUKZKLUQOIXLFQ-AVGNSLFASA-N 2 0 343.472 -0.099 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)NC[C@H]1CCOC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001374922850 1136875725 /nfs/dbraw/zinc/87/57/25/1136875725.db2.gz WKMFSIVEGWKHLM-BFHYXJOUSA-N 2 0 326.441 -0.672 20 0 EBADRP O[C@@H]1CC[NH+](CCNc2cncc(NCC[N@H+]3CC[C@@H](O)C3)n2)C1 ZINC000624684218 375929340 /nfs/dbraw/zinc/92/93/40/375929340.db2.gz ZERZMWVZQXBFAN-ZIAGYGMSSA-N 2 0 336.440 -0.566 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CCO1 ZINC000642762392 376086717 /nfs/dbraw/zinc/08/67/17/376086717.db2.gz OJVFWKBZTNYYNR-RWMBFGLXSA-N 2 0 328.457 -0.347 20 0 EBADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CCO1 ZINC000642768955 376088485 /nfs/dbraw/zinc/08/84/85/376088485.db2.gz UTKHUQMQSSVUBE-ZOWXZIJZSA-N 2 0 344.481 -0.886 20 0 EBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCSC1 ZINC000642768976 376090674 /nfs/dbraw/zinc/09/06/74/376090674.db2.gz YWPJEQPANZRWOC-JKSUJKDBSA-N 2 0 340.493 -0.248 20 0 EBADRP CN1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[C@H](C[NH3+])C1 ZINC000584043465 376061667 /nfs/dbraw/zinc/06/16/67/376061667.db2.gz XFBOTRPACNDGRU-MGPQQGTHSA-N 2 0 325.457 -0.923 20 0 EBADRP CN1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)[C@@H](C[NH3+])C1 ZINC000557248429 376167310 /nfs/dbraw/zinc/16/73/10/376167310.db2.gz MRFKQOWGQMAYRV-AWEZNQCLSA-N 2 0 339.484 -0.532 20 0 EBADRP C[C@H](O)[C@@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000584218030 376219959 /nfs/dbraw/zinc/21/99/59/376219959.db2.gz UOSTUFOVACXCBO-LSDHHAIUSA-N 2 0 342.484 -0.442 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000642887394 376454315 /nfs/dbraw/zinc/45/43/15/376454315.db2.gz QVHHJWJADJHFKV-DGAVXFQQSA-N 2 0 338.452 -0.041 20 0 EBADRP CCN1CCN(C(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)C[C@@H]1c1ncc[nH]1 ZINC000410483456 376470188 /nfs/dbraw/zinc/47/01/88/376470188.db2.gz DQZKHOPFUVLULJ-UONOGXRCSA-N 2 0 348.451 -0.223 20 0 EBADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000642896761 376571691 /nfs/dbraw/zinc/57/16/91/376571691.db2.gz XEFHJUUPECBRAD-OAHLLOKOSA-N 2 0 339.484 -0.612 20 0 EBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642904583 376684448 /nfs/dbraw/zinc/68/44/48/376684448.db2.gz ZLYMUJCPXSTJPG-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP Cc1ccncc1N1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1 ZINC000642918159 376749403 /nfs/dbraw/zinc/74/94/03/376749403.db2.gz PAACWUAILHBPEF-UHFFFAOYSA-N 2 0 331.420 -0.093 20 0 EBADRP CO[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC[C@@H]1C ZINC000560637382 376754789 /nfs/dbraw/zinc/75/47/89/376754789.db2.gz AHZDJJMFZSQJGG-GJZGRUSLSA-N 2 0 342.484 -0.178 20 0 EBADRP COCC[N@H+](C)C[C@H](O)CN1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000566415307 376788045 /nfs/dbraw/zinc/78/80/45/376788045.db2.gz AVHQZNFFOAVYIP-INIZCTEOSA-N 2 0 345.484 -0.915 20 0 EBADRP C[N@H+](CCN1CCN(C(=O)CNC(=O)C[NH3+])CC1)Cc1ccccc1 ZINC000125227964 376838353 /nfs/dbraw/zinc/83/83/53/376838353.db2.gz YUCASMAUKPSPOK-UHFFFAOYSA-N 2 0 347.463 -0.663 20 0 EBADRP CN1CCN(C(=O)Cc2csc(N3CCCC3=O)n2)[C@@H](C[NH3+])C1 ZINC000569720313 377157111 /nfs/dbraw/zinc/15/71/11/377157111.db2.gz ARIXSNVIUIVYNS-LBPRGKRZSA-N 2 0 337.449 -0.086 20 0 EBADRP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000570224984 377220967 /nfs/dbraw/zinc/22/09/67/377220967.db2.gz ALZHUSQSMUHFIB-HOTGVXAUSA-N 2 0 346.431 -0.653 20 0 EBADRP CC[C@@H]1CN(C(=O)NC[C@H]2C[NH+](C)CCN2C)CC[N@@H+]1C[C@@H](C)O ZINC000332876309 377333124 /nfs/dbraw/zinc/33/31/24/377333124.db2.gz SSWOGMZUOFZDBI-OAGGEKHMSA-N 2 0 341.500 -0.281 20 0 EBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(C)(C)N3CC[NH2+]CC3)C2)CC1 ZINC000580070743 377351019 /nfs/dbraw/zinc/35/10/19/377351019.db2.gz WSWQLZIUFCBHEO-MRXNPFEDSA-N 2 0 337.512 -0.091 20 0 EBADRP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000643012421 377444627 /nfs/dbraw/zinc/44/46/27/377444627.db2.gz ADSZWVBACIHESN-OAHLLOKOSA-N 2 0 338.452 -0.432 20 0 EBADRP C[NH+]1CCN(c2cc(C[NH2+]C[C@H](O)CN3CCOCC3)ccn2)CC1 ZINC000562988510 377415588 /nfs/dbraw/zinc/41/55/88/377415588.db2.gz OYDVURXEYZDCTH-KRWDZBQOSA-N 2 0 349.479 -0.384 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CCSC1 ZINC000627371246 377477221 /nfs/dbraw/zinc/47/72/21/377477221.db2.gz YYCJTWJDCZRSGS-WFASDCNBSA-N 2 0 340.493 -0.059 20 0 EBADRP CC(C)[C@H](CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)[NH+]1CCN(C)CC1 ZINC000636524631 377553127 /nfs/dbraw/zinc/55/31/27/377553127.db2.gz RFCDEOHPTMCVLG-CVEARBPZSA-N 2 0 341.500 -0.376 20 0 EBADRP COC(=O)[C@@H]1C[NH2+]CCCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000592984019 377866274 /nfs/dbraw/zinc/86/62/74/377866274.db2.gz CFXLGAIMASQYOX-HNNXBMFYSA-N 2 0 338.452 -0.434 20 0 EBADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000595958207 378038145 /nfs/dbraw/zinc/03/81/45/378038145.db2.gz YXHAXXGGJIMEFW-KGLIPLIRSA-N 2 0 327.425 -0.259 20 0 EBADRP COC(=O)CC[C@@H]([NH3+])C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000595976838 378042414 /nfs/dbraw/zinc/04/24/14/378042414.db2.gz BBSWCXZJEYTDFD-LSDHHAIUSA-N 2 0 340.468 -0.106 20 0 EBADRP COC(=O)[C@@H]1CN(C)CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000601630191 378316931 /nfs/dbraw/zinc/31/69/31/378316931.db2.gz BXYNQBILTWRYPV-CQSZACIVSA-N 2 0 337.424 -0.379 20 0 EBADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000602489830 378359918 /nfs/dbraw/zinc/35/99/18/378359918.db2.gz AHBABOIYASZIOQ-HOTGVXAUSA-N 2 0 348.447 -0.191 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@H](C2CC2)C1 ZINC000563147702 378454506 /nfs/dbraw/zinc/45/45/06/378454506.db2.gz VIMWPZUSPFXJBI-HNNXBMFYSA-N 2 0 340.468 -0.424 20 0 EBADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000636945360 378435675 /nfs/dbraw/zinc/43/56/75/378435675.db2.gz WTQDGVOEJAULID-PMPSAXMXSA-N 2 0 340.468 -0.270 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)NCC[NH+]2CC[C@@H](O)C2)CCCO1 ZINC000637090947 378476470 /nfs/dbraw/zinc/47/64/70/378476470.db2.gz ZBQFGGJGNCLAGH-HUUCEWRRSA-N 2 0 328.457 -0.147 20 0 EBADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1=O 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HLIBCPZHKOJCBQ-CVEARBPZSA-N 2 0 343.468 -0.504 20 0 EBADRP CC(C)Nc1nc(NCCO)nc(N2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000338671608 378801398 /nfs/dbraw/zinc/80/13/98/378801398.db2.gz DMBJKGILUSKSKP-AWEZNQCLSA-N 2 0 349.483 -0.138 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)C1 ZINC000339730583 378984195 /nfs/dbraw/zinc/98/41/95/378984195.db2.gz SHXYETNZVQKFEH-AWEZNQCLSA-N 2 0 328.457 -0.521 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000563536595 379041056 /nfs/dbraw/zinc/04/10/56/379041056.db2.gz BZGGZPZRRZGHFW-SOUVJXGZSA-N 2 0 340.468 -0.058 20 0 EBADRP CNS(=O)(=O)C[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000629595697 379065063 /nfs/dbraw/zinc/06/50/63/379065063.db2.gz UXUKUPWTMFRLBT-CYBMUJFWSA-N 2 0 332.470 -0.931 20 0 EBADRP Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)[NH+](C)C)cc1 ZINC000627287437 379073779 /nfs/dbraw/zinc/07/37/79/379073779.db2.gz VMOOOZXEADNEGD-HZPDHXFCSA-N 2 0 348.447 -0.181 20 0 EBADRP O=C([C@H]1CCC[N@H+](C[C@H]2CCCS(=O)(=O)C2)C1)N1CC[NH2+]CC1 ZINC000571087912 379073967 /nfs/dbraw/zinc/07/39/67/379073967.db2.gz KTRMLKDEFAUIQI-CABCVRRESA-N 2 0 343.493 -0.045 20 0 EBADRP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000627292256 379120635 /nfs/dbraw/zinc/12/06/35/379120635.db2.gz PRSAZKPWRMLIGU-HOTGVXAUSA-N 2 0 348.447 -0.620 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000629791377 379136342 /nfs/dbraw/zinc/13/63/42/379136342.db2.gz HANZICXLXAHDJE-UHFFFAOYSA-N 2 0 327.473 -0.722 20 0 EBADRP CN(CC1C[NH+](C)C1)C(=O)COCC(=O)N(C)CC1C[NH+](C)C1 ZINC000618193774 379130098 /nfs/dbraw/zinc/13/00/98/379130098.db2.gz DCXUBOSVPQCYJI-UHFFFAOYSA-N 2 0 326.441 -0.957 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000629793066 379138307 /nfs/dbraw/zinc/13/83/07/379138307.db2.gz HNQFPOINYBYGGO-UHFFFAOYSA-N 2 0 328.457 -0.390 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000629800100 379142059 /nfs/dbraw/zinc/14/20/59/379142059.db2.gz NRXOWJILONCKPV-UONOGXRCSA-N 2 0 328.457 -0.378 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000627297753 379146258 /nfs/dbraw/zinc/14/62/58/379146258.db2.gz RTYNBUPULSNSIO-HOTGVXAUSA-N 2 0 348.447 -0.100 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000629805698 379150210 /nfs/dbraw/zinc/15/02/10/379150210.db2.gz OXLSSLVZLOJNTN-UHFFFAOYSA-N 2 0 328.457 -0.375 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000458441496 379222792 /nfs/dbraw/zinc/22/27/92/379222792.db2.gz SCEASWGBLBEYQC-HUUCEWRRSA-N 2 0 328.457 -0.147 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)C[C@H](C(=O)OC)C2)C1 ZINC000413301436 379228047 /nfs/dbraw/zinc/22/80/47/379228047.db2.gz OMTUOBZNMZCGFB-UONOGXRCSA-N 2 0 342.440 -0.547 20 0 EBADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627315219 379316051 /nfs/dbraw/zinc/31/60/51/379316051.db2.gz ZPJMWCFGWIETGS-CQSZACIVSA-N 2 0 326.441 -0.530 20 0 EBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627319804 379322624 /nfs/dbraw/zinc/32/26/24/379322624.db2.gz HOCDRATZWQMGAY-AWEZNQCLSA-N 2 0 328.457 -0.199 20 0 EBADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000627323881 379327368 /nfs/dbraw/zinc/32/73/68/379327368.db2.gz JTTMHMQQLJETOK-UHFFFAOYSA-N 2 0 328.457 -0.343 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000627324369 379330469 /nfs/dbraw/zinc/33/04/69/379330469.db2.gz YHDWLQZPZUOMLX-UHFFFAOYSA-N 2 0 328.457 -0.425 20 0 EBADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1COCC[NH2+]1)CC(C)C ZINC000627324701 379331095 /nfs/dbraw/zinc/33/10/95/379331095.db2.gz KFSLNJFADCNWDA-GJZGRUSLSA-N 2 0 342.484 -0.036 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000627325144 379331890 /nfs/dbraw/zinc/33/18/90/379331890.db2.gz ZLXFEJWVDTZMRI-CQSZACIVSA-N 2 0 327.473 -0.818 20 0 EBADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)NC[C@H]1COCC[NH2+]1)C(C)(C)C ZINC000627326255 379332580 /nfs/dbraw/zinc/33/25/80/379332580.db2.gz KQIZMTHASIMURR-QWHCGFSZSA-N 2 0 328.457 -0.426 20 0 EBADRP C[NH2+]C1(CNC(=O)COCC(=O)NCC2([NH2+]C)CCC2)CCC1 ZINC000630001460 379336054 /nfs/dbraw/zinc/33/60/54/379336054.db2.gz ICZATMCICIFEMB-UHFFFAOYSA-N 2 0 326.441 -0.480 20 0 EBADRP C[N@H+](CCCNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000627309552 379298734 /nfs/dbraw/zinc/29/87/34/379298734.db2.gz ULBOZDIUOCWTLT-MRXNPFEDSA-N 2 0 348.447 -0.271 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000627333262 379346382 /nfs/dbraw/zinc/34/63/82/379346382.db2.gz ZNRZFJSLZKLVJV-AWEZNQCLSA-N 2 0 328.457 -0.425 20 0 EBADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627312416 379304782 /nfs/dbraw/zinc/30/47/82/379304782.db2.gz YEQFWFFXYUKMGG-KGLIPLIRSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627312310 379305148 /nfs/dbraw/zinc/30/51/48/379305148.db2.gz WFGDDBGBXAJJLY-ZIAGYGMSSA-N 2 0 328.457 -0.343 20 0 EBADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[NH2+]1 ZINC000627483872 379454669 /nfs/dbraw/zinc/45/46/69/379454669.db2.gz MOUAKYYHIGAGGI-ZIAGYGMSSA-N 3 0 327.473 -0.805 20 0 EBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000487650308 379500695 /nfs/dbraw/zinc/50/06/95/379500695.db2.gz GYSHGGFJCQSAHP-LSDHHAIUSA-N 2 0 340.468 -0.567 20 0 EBADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)CCO1 ZINC000642056018 379539484 /nfs/dbraw/zinc/53/94/84/379539484.db2.gz NLRNUYNBFDFECK-ZIAGYGMSSA-N 2 0 340.468 -0.201 20 0 EBADRP CC[NH2+]CCNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627405631 379583890 /nfs/dbraw/zinc/58/38/90/379583890.db2.gz JKMHCQTXDLBOFQ-UHFFFAOYSA-N 2 0 326.441 -0.575 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627419977 379588048 /nfs/dbraw/zinc/58/80/48/379588048.db2.gz UHNSOMRGUJEUFF-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CCOCC1 ZINC000627425349 379592566 /nfs/dbraw/zinc/59/25/66/379592566.db2.gz MUZOUTSVNPYXEJ-KGLIPLIRSA-N 2 0 338.452 -0.256 20 0 EBADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627425824 379593500 /nfs/dbraw/zinc/59/35/00/379593500.db2.gz AKOSIZHZQSPGDB-MRXNPFEDSA-N 2 0 345.447 -0.112 20 0 EBADRP CN(CCOCC[NH3+])C(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000627367385 379567637 /nfs/dbraw/zinc/56/76/37/379567637.db2.gz RWECNEZUUSTRBV-UHFFFAOYSA-N 2 0 326.441 -0.447 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627366994 379568832 /nfs/dbraw/zinc/56/88/32/379568832.db2.gz HSNMEYWVBZZWQG-MGPQQGTHSA-N 2 0 326.441 -0.530 20 0 EBADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)NCCOCCC[NH3+])C2)CC1 ZINC000627485723 379633928 /nfs/dbraw/zinc/63/39/28/379633928.db2.gz IZUDEBOHZLARQE-OAHLLOKOSA-N 2 0 340.468 -0.342 20 0 EBADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCCOCCC[NH3+])CC[C@@H]21 ZINC000627486845 379634235 /nfs/dbraw/zinc/63/42/35/379634235.db2.gz MRJGWDKDBMFEHV-KGLIPLIRSA-N 2 0 326.441 -0.589 20 0 EBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCOCCC[NH3+] ZINC000627488833 379640079 /nfs/dbraw/zinc/64/00/79/379640079.db2.gz JXYGZOZQTYDOLO-KGLIPLIRSA-N 2 0 326.441 -0.447 20 0 EBADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000627493780 379642485 /nfs/dbraw/zinc/64/24/85/379642485.db2.gz QLVMBXRLQSPRJE-OAHLLOKOSA-N 2 0 349.435 -0.794 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627502294 379645921 /nfs/dbraw/zinc/64/59/21/379645921.db2.gz REMQHXTYXBMREQ-QWHCGFSZSA-N 2 0 347.419 -0.395 20 0 EBADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000627503419 379646272 /nfs/dbraw/zinc/64/62/72/379646272.db2.gz LRGQAHFEQXOJFL-BFHYXJOUSA-N 2 0 326.441 -0.578 20 0 EBADRP C[C@@H]1CN(C[C@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000627507150 379648022 /nfs/dbraw/zinc/64/80/22/379648022.db2.gz CZDMDQKHVNNITE-KBUPBQIOSA-N 2 0 338.452 -0.435 20 0 EBADRP [NH3+]C1(CNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CCOCC1 ZINC000627452142 379604239 /nfs/dbraw/zinc/60/42/39/379604239.db2.gz BVJAQHSYTVHSBY-UHFFFAOYSA-N 2 0 347.419 -0.646 20 0 EBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627453629 379605500 /nfs/dbraw/zinc/60/55/00/379605500.db2.gz SQQXTJXYCALCCX-KGLIPLIRSA-N 2 0 338.452 -0.304 20 0 EBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCCOCC[NH2+]C)C[C@H]1C ZINC000627462360 379610765 /nfs/dbraw/zinc/61/07/65/379610765.db2.gz RKJQPJSFOATDQB-KGLIPLIRSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000627463219 379612240 /nfs/dbraw/zinc/61/22/40/379612240.db2.gz QMXAIENMIWLAOX-UONOGXRCSA-N 2 0 326.441 -0.719 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000627463608 379612258 /nfs/dbraw/zinc/61/22/58/379612258.db2.gz CNGRLIOGRKUGBV-OAHLLOKOSA-N 2 0 340.468 -0.185 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1COCC[NH2+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000627468694 379614257 /nfs/dbraw/zinc/61/42/57/379614257.db2.gz BHAASNADZJRSCU-MGPQQGTHSA-N 2 0 326.441 -0.672 20 0 EBADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627473308 379622023 /nfs/dbraw/zinc/62/20/23/379622023.db2.gz LBIUJBNNGSZAQM-AWEZNQCLSA-N 2 0 328.457 -0.329 20 0 EBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627473473 379622661 /nfs/dbraw/zinc/62/26/61/379622661.db2.gz NWQOPEDPLADMPC-KGLIPLIRSA-N 2 0 326.441 -0.719 20 0 EBADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000627474967 379623449 /nfs/dbraw/zinc/62/34/49/379623449.db2.gz CIUYHPMXTFLYEF-CABCVRRESA-N 2 0 338.452 -0.719 20 0 EBADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000627474970 379625676 /nfs/dbraw/zinc/62/56/76/379625676.db2.gz CIUYHPMXTFLYEF-LSDHHAIUSA-N 2 0 338.452 -0.719 20 0 EBADRP CCOC(CNC(=O)C1([NH+](C)C)CC1)CNC(=O)C1([NH+](C)C)CC1 ZINC000613394307 379789653 /nfs/dbraw/zinc/78/96/53/379789653.db2.gz BWUWBCWSDWZLBN-UHFFFAOYSA-N 2 0 340.468 -0.188 20 0 EBADRP [NH3+]C[C@@H]1CN(S(=O)(=O)C[C@H]2C[NH2+]CCO2)CC[C@H]1C(F)(F)F ZINC000631954622 379791212 /nfs/dbraw/zinc/79/12/12/379791212.db2.gz SKQAIHNGCUCWES-GMTAPVOTSA-N 2 0 345.387 -0.236 20 0 EBADRP [NH3+]C1(CNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CCCC1 ZINC000627112522 379807260 /nfs/dbraw/zinc/80/72/60/379807260.db2.gz IMCLKQVYRAQIGC-UHFFFAOYSA-N 2 0 338.456 -0.390 20 0 EBADRP C[NH+](C)CCCS(=O)(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000631812551 379760636 /nfs/dbraw/zinc/76/06/36/379760636.db2.gz BUVIENJPRKOJEV-UHFFFAOYSA-N 2 0 348.513 -0.342 20 0 EBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NCC3([NH3+])CCOCC3)C2)CC1 ZINC000626978860 379769986 /nfs/dbraw/zinc/76/99/86/379769986.db2.gz MDDZOLYHGKDOPF-AWEZNQCLSA-N 2 0 339.484 -0.038 20 0 EBADRP O=S(=O)(C[C@H]1C[NH2+]CCO1)NCCC[NH2+]Cc1cccnc1 ZINC000631901852 379771010 /nfs/dbraw/zinc/77/10/10/379771010.db2.gz PVTZVAIDTYATHL-CQSZACIVSA-N 2 0 328.438 -0.531 20 0 EBADRP C[NH2+]CCOCCNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000626978304 379771381 /nfs/dbraw/zinc/77/13/81/379771381.db2.gz CDKYXXMEVQPTPY-AWEZNQCLSA-N 2 0 327.473 -0.310 20 0 EBADRP O=S(=O)(CCC[NH+]1CCCC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000631936558 379785408 /nfs/dbraw/zinc/78/54/08/379785408.db2.gz FJNUHMLJLCHYNO-OAHLLOKOSA-N 2 0 330.498 -0.218 20 0 EBADRP CC(C)[C@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC[NH2+]1 ZINC000631930244 379785682 /nfs/dbraw/zinc/78/56/82/379785682.db2.gz AWGVMHRJIWPXAU-OAHLLOKOSA-N 2 0 332.514 -0.117 20 0 EBADRP C[NH+]1CCN(CCCS(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000631938892 379787163 /nfs/dbraw/zinc/78/71/63/379787163.db2.gz OQWWNBJBXOSNHK-LSDHHAIUSA-N 2 0 330.498 -0.363 20 0 EBADRP CC1([NH+]2CCOCC2)CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627191954 379829840 /nfs/dbraw/zinc/82/98/40/379829840.db2.gz XKQXJNAKEWVYIL-AWEZNQCLSA-N 2 0 326.441 -0.129 20 0 EBADRP C[NH2+]CCOCCNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000627173778 379820823 /nfs/dbraw/zinc/82/08/23/379820823.db2.gz FFQNUDKWLZNLKF-HOTGVXAUSA-N 2 0 341.500 -0.110 20 0 EBADRP C[NH2+]CCOCCNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000627170969 379821326 /nfs/dbraw/zinc/82/13/26/379821326.db2.gz MPSVVYZCTSALAY-ZDUSSCGKSA-N 2 0 329.445 -0.749 20 0 EBADRP C[NH2+]CCOCCNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000627173627 379821598 /nfs/dbraw/zinc/82/15/98/379821598.db2.gz DQAGPMFVIWYKEW-UHFFFAOYSA-N 2 0 329.489 -0.062 20 0 EBADRP C[NH+]1CCC(n2cc(NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cn2)CC1 ZINC000633028238 379922278 /nfs/dbraw/zinc/92/22/78/379922278.db2.gz ZQIMXFMPAYBLDU-FZMZJTMJSA-N 2 0 332.408 -0.339 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000627484747 379893723 /nfs/dbraw/zinc/89/37/23/379893723.db2.gz HWVOBKHEYZVDQW-CQSZACIVSA-N 2 0 326.441 -0.445 20 0 EBADRP CC[NH+]1CCN(CCC(=O)N2CCC[C@](O)(C[NH+](C)C)C2)CC1 ZINC000614069338 379906853 /nfs/dbraw/zinc/90/68/53/379906853.db2.gz WEBUVOLTCJHARY-KRWDZBQOSA-N 2 0 326.485 -0.071 20 0 EBADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000633556915 379963210 /nfs/dbraw/zinc/96/32/10/379963210.db2.gz XTJXSAWQDLBAJN-CYBMUJFWSA-N 2 0 336.440 -0.363 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)C[C@H]1C[NH3+] ZINC000633092496 379934578 /nfs/dbraw/zinc/93/45/78/379934578.db2.gz ORJCKRMSNYHVBI-ZIAGYGMSSA-N 2 0 340.468 -0.655 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000633100505 379938949 /nfs/dbraw/zinc/93/89/49/379938949.db2.gz WAHNCWPDKFPKKB-SOUVJXGZSA-N 2 0 338.452 -0.482 20 0 EBADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000633118147 379945687 /nfs/dbraw/zinc/94/56/87/379945687.db2.gz NMJCTJCSHRPEKL-AWEZNQCLSA-N 2 0 340.468 -0.105 20 0 EBADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000633139082 379947489 /nfs/dbraw/zinc/94/74/89/379947489.db2.gz GYPAVGRNOCNDMO-UKRRQHHQSA-N 2 0 338.452 -0.495 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000633138899 379947737 /nfs/dbraw/zinc/94/77/37/379947737.db2.gz FIUDTSDUIKVRFR-CHWSQXEVSA-N 2 0 347.419 -0.313 20 0 EBADRP CC[NH+]1CCN(CCCNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000354730810 380090051 /nfs/dbraw/zinc/09/00/51/380090051.db2.gz ASRDFGYFLUPMIP-OAHLLOKOSA-N 2 0 339.484 -0.612 20 0 EBADRP CC[C@@H]1CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+]1C[C@H](C)O ZINC000354684170 380081671 /nfs/dbraw/zinc/08/16/71/380081671.db2.gz XJWQVJQSZJUHHX-ZNMIVQPWSA-N 2 0 340.468 -0.452 20 0 EBADRP COC(=O)CNC(=O)CC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355057991 380136367 /nfs/dbraw/zinc/13/63/67/380136367.db2.gz CMSSMZDDFVTNLF-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP [NH3+]CCCOCCNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000627485826 380111836 /nfs/dbraw/zinc/11/18/36/380111836.db2.gz LPCCRHFNVUSDDT-OAHLLOKOSA-N 2 0 340.468 -0.055 20 0 EBADRP C[C@@H](CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)C[NH+]1CCN(C)CC1 ZINC000546591411 380115300 /nfs/dbraw/zinc/11/53/00/380115300.db2.gz BXNGNSOXJZBMRN-HOCLYGCPSA-N 2 0 327.473 -0.764 20 0 EBADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000638097553 380131501 /nfs/dbraw/zinc/13/15/01/380131501.db2.gz FYOIFUHKPHCHIZ-PBHICJAKSA-N 2 0 338.452 -0.480 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638098171 380133315 /nfs/dbraw/zinc/13/33/15/380133315.db2.gz KCALOEDJLQSDAK-INIZCTEOSA-N 2 0 326.441 -0.623 20 0 EBADRP C[NH+]1CCN(c2ncccc2CNC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638136967 380201545 /nfs/dbraw/zinc/20/15/45/380201545.db2.gz DELRRHIUTVAULW-UHFFFAOYSA-N 2 0 332.452 -0.645 20 0 EBADRP C[C@]1(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C[NH2+]CCO1 ZINC000638149644 380217216 /nfs/dbraw/zinc/21/72/16/380217216.db2.gz SHYWCYXNSRTYGJ-JJRVBVJISA-N 2 0 338.452 -0.528 20 0 EBADRP C[C@]1(C(N)=O)CC[NH+](CCOCC[N@H+]2CC[C@](C)(C(N)=O)C2)C1 ZINC000361566384 380322854 /nfs/dbraw/zinc/32/28/54/380322854.db2.gz RWFWLGPZLWKTDO-HOTGVXAUSA-N 2 0 326.441 -0.602 20 0 EBADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000638220580 380291397 /nfs/dbraw/zinc/29/13/97/380291397.db2.gz RPJOXOJGNWJPTL-GVXVVHGQSA-N 2 0 338.374 -0.294 20 0 EBADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000638241840 380307449 /nfs/dbraw/zinc/30/74/49/380307449.db2.gz TYTPVCQYDMGOAS-ROUUACIJSA-N 2 0 345.491 -0.048 20 0 EBADRP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000564943666 380386266 /nfs/dbraw/zinc/38/62/66/380386266.db2.gz HEEGMFXGKSWKLQ-GFCCVEGCSA-N 2 0 345.411 -0.412 20 0 EBADRP CC(=O)NCCN(C)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000565597671 380425569 /nfs/dbraw/zinc/42/55/69/380425569.db2.gz TTXSTOIOSGUREL-HNNXBMFYSA-N 2 0 328.457 -0.473 20 0 EBADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000566090501 380446182 /nfs/dbraw/zinc/44/61/82/380446182.db2.gz ILBLCWLEUZETQO-CABCVRRESA-N 3 0 341.500 -0.476 20 0 EBADRP CO[C@]1(C)CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000565407528 380417873 /nfs/dbraw/zinc/41/78/73/380417873.db2.gz CIDFRFHMLCHIDX-QGZVFWFLSA-N 2 0 342.484 -0.034 20 0 EBADRP CO[C@@]1(C)CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000565407527 380418521 /nfs/dbraw/zinc/41/85/21/380418521.db2.gz CIDFRFHMLCHIDX-KRWDZBQOSA-N 2 0 342.484 -0.034 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000340443882 380501326 /nfs/dbraw/zinc/50/13/26/380501326.db2.gz YSTGKFXGHVMOSF-HNNXBMFYSA-N 2 0 346.497 -0.766 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)CCO1 ZINC000567113940 380501892 /nfs/dbraw/zinc/50/18/92/380501892.db2.gz YYUYFRBGOHOARS-IRXDYDNUSA-N 2 0 343.431 -0.013 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000340505370 380520387 /nfs/dbraw/zinc/52/03/87/380520387.db2.gz GYZPKZUKYOQMQM-KBPBESRZSA-N 2 0 338.452 -0.576 20 0 EBADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CCN(S(=O)(=O)N3CCOCC3)CC2)C1 ZINC000567249379 380509490 /nfs/dbraw/zinc/50/94/90/380509490.db2.gz BSBILSRQDCMYJA-HIFRSBDPSA-N 2 0 346.497 -0.113 20 0 EBADRP O=C(CN1CC[NH2+]CC1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000638405625 380460606 /nfs/dbraw/zinc/46/06/06/380460606.db2.gz DYRMNHUPPQIBIG-KRWDZBQOSA-N 2 0 332.448 -0.225 20 0 EBADRP C[C@@H]1C[N@H+](CCCNC(=O)NCCN2CC[NH2+]CC2)CCCO1 ZINC000418116165 380480061 /nfs/dbraw/zinc/48/00/61/380480061.db2.gz PYCVBQJDINSGQZ-OAHLLOKOSA-N 2 0 327.473 -0.308 20 0 EBADRP O=C([C@H]1C[C@@]12CCC[NH2+]C2)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638481354 380482416 /nfs/dbraw/zinc/48/24/16/380482416.db2.gz GYPWECSKRBPMHH-RHSMWYFYSA-N 2 0 335.452 -0.455 20 0 EBADRP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000638479613 380482986 /nfs/dbraw/zinc/48/29/86/380482986.db2.gz ALSWLHBUICHPFQ-LBPRGKRZSA-N 2 0 345.394 -0.599 20 0 EBADRP CC1([NH+]2CCOCC2)CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000638602941 380530893 /nfs/dbraw/zinc/53/08/93/380530893.db2.gz PSHKMOVQLJQBKS-AWEZNQCLSA-N 2 0 338.452 -0.432 20 0 EBADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000567837756 380548542 /nfs/dbraw/zinc/54/85/42/380548542.db2.gz WUSPCBJEWNNVKF-OLZOCXBDSA-N 2 0 348.451 -0.054 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000340583729 380557670 /nfs/dbraw/zinc/55/76/70/380557670.db2.gz KCQSNWKQFVKKQV-CYBMUJFWSA-N 2 0 326.441 -0.576 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000340797064 380635009 /nfs/dbraw/zinc/63/50/09/380635009.db2.gz NVQZPVWMJFVPNQ-OAHLLOKOSA-N 2 0 341.500 -0.604 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)NCCN3CC[NH2+]CC3)CC2)c1 ZINC000568372693 380597713 /nfs/dbraw/zinc/59/77/13/380597713.db2.gz HYIPOPHHXYQNPU-UHFFFAOYSA-N 2 0 348.451 -0.173 20 0 EBADRP O=C(C(=O)N1CCNC[C@H]1c1cccnc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000568381944 380598191 /nfs/dbraw/zinc/59/81/91/380598191.db2.gz ZMJCINOHYXWWGC-HOTGVXAUSA-N 2 0 343.431 -0.139 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)C[NH+]1CCCC1 ZINC000340769922 380628418 /nfs/dbraw/zinc/62/84/18/380628418.db2.gz MQDWLQZTEBJBFF-GJZGRUSLSA-N 2 0 339.484 -0.804 20 0 EBADRP CC(C)NC(=O)CN1CCCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000371819351 380673992 /nfs/dbraw/zinc/67/39/92/380673992.db2.gz SFSZIQKVGBYRLR-AWEZNQCLSA-N 2 0 326.441 -0.624 20 0 EBADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000573626370 380680973 /nfs/dbraw/zinc/68/09/73/380680973.db2.gz ZPJMWCFGWIETGS-AWEZNQCLSA-N 2 0 326.441 -0.530 20 0 EBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)C2)CC1 ZINC000372234732 380697851 /nfs/dbraw/zinc/69/78/51/380697851.db2.gz XQESNQXTNAXMQL-RHSMWYFYSA-N 2 0 341.500 -0.233 20 0 EBADRP [NH3+][C@@H]1C[C@H]2CN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)CCN2C1=O ZINC000576004068 380754885 /nfs/dbraw/zinc/75/48/85/380754885.db2.gz MAMYOGLYJGYFGQ-CAOSSQGBSA-N 2 0 343.431 -0.305 20 0 EBADRP COCC[N@H+](C)CC[C@@H](NC(=O)C(=O)NC1C[NH2+]C1)c1ccccc1 ZINC000576135478 380759199 /nfs/dbraw/zinc/75/91/99/380759199.db2.gz PDJCTXNCNFDDNY-MRXNPFEDSA-N 2 0 348.447 -0.100 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H](C)O1 ZINC000574498928 380713965 /nfs/dbraw/zinc/71/39/65/380713965.db2.gz HCGUYLCYDUVCOX-OKILXGFUSA-N 2 0 328.457 -0.426 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC000171300317 380729414 /nfs/dbraw/zinc/72/94/14/380729414.db2.gz PWNRPHJDMNONIO-ZIAGYGMSSA-N 2 0 348.513 -0.201 20 0 EBADRP CN1CC[C@@H]([NH+]2CCC(NC(=O)C[C@H]3CSCC[NH2+]3)CC2)C1=O ZINC000638855911 380773332 /nfs/dbraw/zinc/77/33/32/380773332.db2.gz ILDGTPAAAMWATF-UONOGXRCSA-N 2 0 340.493 -0.107 20 0 EBADRP COc1ccc([C@@H](CO)C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000576637213 380778970 /nfs/dbraw/zinc/77/89/70/380778970.db2.gz SBEJWCNDYCYUHY-IAGOWNOFSA-N 2 0 337.464 -0.031 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCOc2ccc3c(c2)OCO3)CC1 ZINC000576979966 380792538 /nfs/dbraw/zinc/79/25/38/380792538.db2.gz JVORZZBPVKXWOU-CQSZACIVSA-N 2 0 337.420 -0.008 20 0 EBADRP CS(=O)(=O)N1CC[C@H](C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)C1 ZINC000374882748 380815150 /nfs/dbraw/zinc/81/51/50/380815150.db2.gz WHMHHFBORNCHIR-LSDHHAIUSA-N 2 0 331.482 -0.078 20 0 EBADRP OC[C@H]1CC[N@H+](CCCCC[NH+]2CC[C@@H](CO)[C@@H](O)C2)C[C@H]1O ZINC000577321082 380818849 /nfs/dbraw/zinc/81/88/49/380818849.db2.gz OUEXHSLVGDXSDM-WNKDZCFJSA-N 2 0 330.469 -0.493 20 0 EBADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)CNC(=O)C[NH3+])CC2)C[C@@H](C)O1 ZINC000125249227 380829163 /nfs/dbraw/zinc/82/91/63/380829163.db2.gz BMVMQKRTFDAFOT-ZIAGYGMSSA-N 2 0 340.468 -0.201 20 0 EBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000577600766 380831546 /nfs/dbraw/zinc/83/15/46/380831546.db2.gz DTYSJQQCDKTOLO-ZJIFWQFVSA-N 2 0 334.464 -0.003 20 0 EBADRP CN1CCN(C(=O)CC[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000330619997 380833770 /nfs/dbraw/zinc/83/37/70/380833770.db2.gz ZUGOBONMLPJNCO-KGLIPLIRSA-N 2 0 346.497 -0.400 20 0 EBADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000577943021 380858247 /nfs/dbraw/zinc/85/82/47/380858247.db2.gz IZRYFXOLMWATRQ-KBPBESRZSA-N 3 0 327.473 -0.948 20 0 EBADRP CC[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC[N@@H+]1CCOC ZINC000580704532 380896644 /nfs/dbraw/zinc/89/66/44/380896644.db2.gz JEBURLFZVUBAEF-CABCVRRESA-N 2 0 327.473 -0.358 20 0 EBADRP C[C@@H](CN1CCOCC1)NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000161858252 380905810 /nfs/dbraw/zinc/90/58/10/380905810.db2.gz OKLDJKPXMPKIKI-AWEZNQCLSA-N 2 0 328.457 -0.195 20 0 EBADRP [NH3+]C1(CNC(=O)C[C@]2(C(=O)NCC3([NH3+])CCC3)CC[NH2+]C2)CCC1 ZINC000578533332 380938256 /nfs/dbraw/zinc/93/82/56/380938256.db2.gz FONQOUGUEDWFQR-OAHLLOKOSA-N 3 0 337.468 -0.649 20 0 EBADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCCN1CC[NH2+]CC1 ZINC000418293960 380943488 /nfs/dbraw/zinc/94/34/88/380943488.db2.gz FNIZSGXFBREZGI-OAHLLOKOSA-N 2 0 341.500 -0.232 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCCN1CC[NH2+]CC1 ZINC000417574101 380946321 /nfs/dbraw/zinc/94/63/21/380946321.db2.gz YOPGIEBXAJHUPI-OAHLLOKOSA-N 2 0 327.473 -0.308 20 0 EBADRP CC(C)[C@@H](CNC(=O)C(=O)N(C)CCC[NH3+])N1CC[NH+](C)CC1 ZINC000579735777 381011794 /nfs/dbraw/zinc/01/17/94/381011794.db2.gz QHGCCOJCXZTVOP-CQSZACIVSA-N 2 0 327.473 -0.818 20 0 EBADRP C[C@]1(C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)CC[NH2+]C1 ZINC000579833629 381016591 /nfs/dbraw/zinc/01/65/91/381016591.db2.gz HZLMMORWKUAZJG-AWEZNQCLSA-N 2 0 326.422 -0.138 20 0 EBADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000579453905 380988785 /nfs/dbraw/zinc/98/87/85/380988785.db2.gz VZLUEOVYZRRCPL-HNNXBMFYSA-N 2 0 339.484 -0.674 20 0 EBADRP COC(=O)C1CC[NH+](CCCNC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000579468640 380992293 /nfs/dbraw/zinc/99/22/93/380992293.db2.gz IWFQMAQPHFKFNG-CQSZACIVSA-N 2 0 327.425 -0.244 20 0 EBADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000581249729 381063465 /nfs/dbraw/zinc/06/34/65/381063465.db2.gz ORCXHLZSGMBHNC-OAHLLOKOSA-N 2 0 333.436 -0.160 20 0 EBADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)[C@H]1n1cccn1 ZINC000581365447 381070588 /nfs/dbraw/zinc/07/05/88/381070588.db2.gz SKYLJUMXOCQKJI-MWDXBVQZSA-N 2 0 337.468 -0.201 20 0 EBADRP COCC[N@H+](C)C[C@@H](O)CN1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000583182547 381106934 /nfs/dbraw/zinc/10/69/34/381106934.db2.gz ZXTYWQBKGSMXAQ-CVEARBPZSA-N 2 0 343.468 -0.361 20 0 EBADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)CC1 ZINC000639949632 381155923 /nfs/dbraw/zinc/15/59/23/381155923.db2.gz LUHGDCMOKHQUPB-CALCHBBNSA-N 2 0 336.436 -0.429 20 0 EBADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418753195 381260622 /nfs/dbraw/zinc/26/06/22/381260622.db2.gz CTJOECUCMIOOKN-HNNXBMFYSA-N 2 0 328.505 -0.585 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CCCC1 ZINC000418824145 381287359 /nfs/dbraw/zinc/28/73/59/381287359.db2.gz CUQMTNYYDYIKIW-CYBMUJFWSA-N 2 0 326.441 -0.447 20 0 EBADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000633149958 381290741 /nfs/dbraw/zinc/29/07/41/381290741.db2.gz XYHYAKJOLAFTFR-KGLIPLIRSA-N 2 0 325.457 -0.970 20 0 EBADRP CC(C)(CNC(=O)C(=O)NCCN1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000418836418 381292401 /nfs/dbraw/zinc/29/24/01/381292401.db2.gz PQXQHDUYXNHUBY-UHFFFAOYSA-N 2 0 339.484 -0.612 20 0 EBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000418802630 381276485 /nfs/dbraw/zinc/27/64/85/381276485.db2.gz YFDDNOFCRNSTIU-LSDHHAIUSA-N 2 0 328.457 -0.243 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(CCO)CC1 ZINC000580412792 381278879 /nfs/dbraw/zinc/27/88/79/381278879.db2.gz PFKZARNWABOIIL-UHFFFAOYSA-N 2 0 342.484 -0.441 20 0 EBADRP C[NH+](C)CC1(CNC(=O)C(=O)NCCN2CC[NH2+]CC2)CCCC1 ZINC000418816238 381280832 /nfs/dbraw/zinc/28/08/32/381280832.db2.gz GDBWJDZZCNKFLE-UHFFFAOYSA-N 2 0 339.484 -0.754 20 0 EBADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000418812241 381281841 /nfs/dbraw/zinc/28/18/41/381281841.db2.gz WYWBBPUEGPIJGE-AWEZNQCLSA-N 2 0 340.468 -0.151 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCC2([NH3+])CCC2)C1 ZINC000418922735 381341854 /nfs/dbraw/zinc/34/18/54/381341854.db2.gz MYLNJLMJNHJCPQ-CYBMUJFWSA-N 2 0 326.441 -0.543 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)[C@@H](C)C[NH2+]1 ZINC000418877576 381325132 /nfs/dbraw/zinc/32/51/32/381325132.db2.gz JOPWTKZOWIXTSB-ILXRZTDVSA-N 2 0 340.468 -0.188 20 0 EBADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000418929111 381342198 /nfs/dbraw/zinc/34/21/98/381342198.db2.gz VXXVAWFCNKPFTK-HUUCEWRRSA-N 2 0 342.484 -0.051 20 0 EBADRP CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000418881654 381330764 /nfs/dbraw/zinc/33/07/64/381330764.db2.gz XTBKAQIHDVUENY-YPMHNXCESA-N 2 0 326.441 -0.184 20 0 EBADRP O=C(NCCCCC[NH+]1CCCCC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418930881 381344114 /nfs/dbraw/zinc/34/41/14/381344114.db2.gz CNILUUODEXNXKV-OAHLLOKOSA-N 2 0 340.468 -0.137 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000418933302 381344762 /nfs/dbraw/zinc/34/47/62/381344762.db2.gz ZODQGEHWEUXFAP-GJZGRUSLSA-N 2 0 340.468 -0.425 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000418915537 381347200 /nfs/dbraw/zinc/34/72/00/381347200.db2.gz GBCFSOAJKOHAKH-AWEZNQCLSA-N 2 0 340.468 -0.330 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)C1 ZINC000418912506 381347578 /nfs/dbraw/zinc/34/75/78/381347578.db2.gz DEXYFDKNDCBSLD-UONOGXRCSA-N 2 0 328.457 -0.441 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000418955643 381348924 /nfs/dbraw/zinc/34/89/24/381348924.db2.gz YDNGYBADGAFTRG-GOEBONIOSA-N 2 0 348.447 -0.191 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000419027247 381355630 /nfs/dbraw/zinc/35/56/30/381355630.db2.gz OFNGZTNUEVNVQW-ZIAGYGMSSA-N 2 0 328.457 -0.425 20 0 EBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419026177 381356550 /nfs/dbraw/zinc/35/65/50/381356550.db2.gz MWORHTXDABEDKU-QLFBSQMISA-N 2 0 340.468 -0.282 20 0 EBADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419080055 381361507 /nfs/dbraw/zinc/36/15/07/381361507.db2.gz OIMNVPXGTJGXBZ-UONOGXRCSA-N 2 0 326.441 -0.528 20 0 EBADRP CC(C)[C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[NH+]1CCCCCC1 ZINC000419128112 381388840 /nfs/dbraw/zinc/38/88/40/381388840.db2.gz VCYJTPZIUGMIMB-HNNXBMFYSA-N 2 0 342.484 -0.217 20 0 EBADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)C(C)(C)C ZINC000419140823 381394579 /nfs/dbraw/zinc/39/45/79/381394579.db2.gz WEJKQKKRASLGJW-UONOGXRCSA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)C(=O)NCC[NH3+])cc2)C[C@H](C)O1 ZINC000419196007 381397041 /nfs/dbraw/zinc/39/70/41/381397041.db2.gz AEXXOXXLDJFKKM-KBPBESRZSA-N 2 0 348.447 -0.013 20 0 EBADRP CO[C@@H]1CCN(C(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)[C@@H](C[NH3+])C1 ZINC000419225871 381401503 /nfs/dbraw/zinc/40/15/03/381401503.db2.gz PSYQRSSOUWSYLL-HUUCEWRRSA-N 2 0 338.452 -0.281 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000419364817 381422379 /nfs/dbraw/zinc/42/23/79/381422379.db2.gz WYSWWWILTLZGAO-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000419371378 381425083 /nfs/dbraw/zinc/42/50/83/381425083.db2.gz ISBINOXMTPZMRF-UHFFFAOYSA-N 2 0 330.432 -0.366 20 0 EBADRP CC1CC[NH+](CCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000419415633 381430612 /nfs/dbraw/zinc/43/06/12/381430612.db2.gz VMVBOSFMMBBCNN-AWEZNQCLSA-N 2 0 326.441 -0.671 20 0 EBADRP [NH3+]CCCNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419424338 381434299 /nfs/dbraw/zinc/43/42/99/381434299.db2.gz TVRBIRUFLFCWEI-UHFFFAOYSA-N 2 0 347.463 -0.220 20 0 EBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419432641 381436949 /nfs/dbraw/zinc/43/69/49/381436949.db2.gz YKAQNNLZDHAMPR-UONOGXRCSA-N 2 0 326.441 -0.528 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000419452953 381441281 /nfs/dbraw/zinc/44/12/81/381441281.db2.gz QOEMHNGBCMXZFO-UONOGXRCSA-N 2 0 328.457 -0.486 20 0 EBADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419699060 381474739 /nfs/dbraw/zinc/47/47/39/381474739.db2.gz QQQQDAJYHKQLKV-GJZGRUSLSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@H](CCNC(=O)C(=O)NCCN1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000419719026 381479175 /nfs/dbraw/zinc/47/91/75/381479175.db2.gz WZNQVAJDDCDNCV-OAHLLOKOSA-N 2 0 339.484 -0.612 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)C1 ZINC000419725734 381480977 /nfs/dbraw/zinc/48/09/77/381480977.db2.gz JAHRXYPBIKELPP-RWMBFGLXSA-N 2 0 342.440 -0.948 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419681492 381483164 /nfs/dbraw/zinc/48/31/64/381483164.db2.gz RXDJTFJEKJAHHN-CHWSQXEVSA-N 2 0 344.456 -0.700 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000419552632 381452694 /nfs/dbraw/zinc/45/26/94/381452694.db2.gz YYBULVJZJNTMQZ-OKILXGFUSA-N 2 0 340.468 -0.188 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000419552997 381452713 /nfs/dbraw/zinc/45/27/13/381452713.db2.gz ZJFRTBDJKLSEAP-RRFJBIMHSA-N 2 0 340.468 -0.343 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)NCCC[NH2+]C2CC2)CCSC1 ZINC000419581154 381459705 /nfs/dbraw/zinc/45/97/05/381459705.db2.gz IWXWPNRXRFIJEW-HNNXBMFYSA-N 2 0 328.482 -0.202 20 0 EBADRP [NH3+]CCCNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000419673125 381468560 /nfs/dbraw/zinc/46/85/60/381468560.db2.gz BOYPRHWBLLLEKF-UHFFFAOYSA-N 2 0 328.482 -0.071 20 0 EBADRP C[NH2+]CCCNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000419847906 381506201 /nfs/dbraw/zinc/50/62/01/381506201.db2.gz SOXWGZZNTUANDV-HNNXBMFYSA-N 2 0 339.484 -0.659 20 0 EBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419847640 381507330 /nfs/dbraw/zinc/50/73/30/381507330.db2.gz UAQGPODYWGUQJQ-CYBMUJFWSA-N 2 0 347.419 -0.393 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000419782842 381494458 /nfs/dbraw/zinc/49/44/58/381494458.db2.gz UUWQAEFXIFWHDH-JKSUJKDBSA-N 2 0 348.447 -0.366 20 0 EBADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419783967 381495270 /nfs/dbraw/zinc/49/52/70/381495270.db2.gz WCMIKOCWUQRGLU-KGLIPLIRSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CCCCC1 ZINC000419810827 381496634 /nfs/dbraw/zinc/49/66/34/381496634.db2.gz IBSAVNHYJWKQFA-CYBMUJFWSA-N 2 0 326.441 -0.447 20 0 EBADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NCC[NH3+] ZINC000419827266 381499503 /nfs/dbraw/zinc/49/95/03/381499503.db2.gz BIVXPOXERIZTST-UHFFFAOYSA-N 2 0 328.363 -0.070 20 0 EBADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000419987838 381525083 /nfs/dbraw/zinc/52/50/83/381525083.db2.gz YXEAIEWKGRGGNZ-BFHYXJOUSA-N 2 0 328.457 -0.426 20 0 EBADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000419982338 381526116 /nfs/dbraw/zinc/52/61/16/381526116.db2.gz SVNYCZRSEJJWCD-CQSZACIVSA-N 2 0 340.468 -0.471 20 0 EBADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000419999505 381527180 /nfs/dbraw/zinc/52/71/80/381527180.db2.gz SCABVWPUMJICKI-CABCVRRESA-N 2 0 339.484 -0.532 20 0 EBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000419997096 381528126 /nfs/dbraw/zinc/52/81/26/381528126.db2.gz LKIOEKMJGGADDW-ZFWWWQNUSA-N 2 0 340.468 -0.202 20 0 EBADRP COCCCNC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420304083 381579715 /nfs/dbraw/zinc/57/97/15/381579715.db2.gz XWQONIOOADLAFQ-CQSZACIVSA-N 2 0 326.441 -0.717 20 0 EBADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420189271 381564714 /nfs/dbraw/zinc/56/47/14/381564714.db2.gz NYVVMWNZJSZQTQ-KFWWJZLASA-N 2 0 340.468 -0.140 20 0 EBADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420193570 381566525 /nfs/dbraw/zinc/56/65/25/381566525.db2.gz CPIFBZWRUGHRBG-HNNXBMFYSA-N 2 0 342.484 -0.083 20 0 EBADRP CC[NH+](C)C[C@H](O)CN1CCN(C[C@H](O)C[N@@H+](C)CC)C[C@H]1C ZINC000571696772 381614643 /nfs/dbraw/zinc/61/46/43/381614643.db2.gz MDCWJKNAQRFMKS-ZACQAIPSSA-N 2 0 330.517 -0.382 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000571744969 381618437 /nfs/dbraw/zinc/61/84/37/381618437.db2.gz BEMQGNSGVMDKKV-HZPDHXFCSA-N 2 0 339.484 -0.214 20 0 EBADRP CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000571783570 381619889 /nfs/dbraw/zinc/61/98/89/381619889.db2.gz HLOWYMLAXXMKON-HNNXBMFYSA-N 2 0 339.484 -0.804 20 0 EBADRP Cn1cnc2c1c(=O)n(CCC[N@@H+]1C[C@@H]3CC[C@@H]([NH3+])[C@H]3C1)c(=O)n2C ZINC000351488961 381628358 /nfs/dbraw/zinc/62/83/58/381628358.db2.gz GUADYWAIKLPTFR-RWMBFGLXSA-N 2 0 346.435 -0.507 20 0 EBADRP NC(=O)COc1ccc(CNC(=O)CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000351495686 381631119 /nfs/dbraw/zinc/63/11/19/381631119.db2.gz PVTQEQCQRAETAN-CWRNSKLLSA-N 2 0 346.431 -0.164 20 0 EBADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000351538189 381639467 /nfs/dbraw/zinc/63/94/67/381639467.db2.gz KGJAZUJVZAZMGL-AWEZNQCLSA-N 2 0 338.452 -0.384 20 0 EBADRP C[C@H]1C[N@@H+](C2CCN(C(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)CCO1 ZINC000351554482 381643625 /nfs/dbraw/zinc/64/36/25/381643625.db2.gz IPQFTKSNLCRLJS-ZFWWWQNUSA-N 2 0 338.452 -0.434 20 0 EBADRP CC(C)OCC[NH+]1CCC(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351575313 381645728 /nfs/dbraw/zinc/64/57/28/381645728.db2.gz UXXSJXBOLRYLFS-OAHLLOKOSA-N 2 0 340.468 -0.140 20 0 EBADRP C[N@H+](C[C@@H](O)CN1CCC(O)(C[NH+]2CCOCC2)CC1)C1CC1 ZINC000351573313 381645781 /nfs/dbraw/zinc/64/57/81/381645781.db2.gz IKPKCEMWCLTLKR-MRXNPFEDSA-N 2 0 327.469 -0.399 20 0 EBADRP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000331975890 381735760 /nfs/dbraw/zinc/73/57/60/381735760.db2.gz MLKBOKYTRQIKSC-HNNXBMFYSA-N 2 0 338.452 -0.575 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C[C@H]1[NH3+] ZINC000332143785 381755707 /nfs/dbraw/zinc/75/57/07/381755707.db2.gz OCCOBVCSBHFIMA-UMVBOHGHSA-N 2 0 338.452 -0.496 20 0 EBADRP C[NH2+]CCOCCNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000627394587 381792952 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337.468 -0.066 20 0 EBADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000333128683 381893774 /nfs/dbraw/zinc/89/37/74/381893774.db2.gz ARINZMNSRHAGJP-KKUMJFAQSA-N 2 0 326.441 -0.131 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000333827298 381961323 /nfs/dbraw/zinc/96/13/23/381961323.db2.gz LWBKYJQPDKVGNZ-QLFBSQMISA-N 2 0 337.468 -0.068 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC[NH2+]1 ZINC000643513544 381995144 /nfs/dbraw/zinc/99/51/44/381995144.db2.gz LKTVHJSXAIOKIQ-LSDHHAIUSA-N 2 0 337.468 -0.955 20 0 EBADRP COCC[N@H+](C)C[C@@H](O)CN1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000583672070 382103123 /nfs/dbraw/zinc/10/31/23/382103123.db2.gz ISAPCADIYUXOHW-ZIAGYGMSSA-N 2 0 337.486 -0.813 20 0 EBADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000583672067 382103372 /nfs/dbraw/zinc/10/33/72/382103372.db2.gz ISAPCADIYUXOHW-KBPBESRZSA-N 2 0 337.486 -0.813 20 0 EBADRP O=C(NCC[N@@H+]1CCCOCC1)NCC1CC[NH+](CCO)CC1 ZINC000446606853 382183709 /nfs/dbraw/zinc/18/37/09/382183709.db2.gz XYOWBFWYORPCCG-UHFFFAOYSA-N 2 0 328.457 -0.288 20 0 EBADRP CCN(C(=O)[C@@H](C)N(C)CCOCC[NH2+]C)[C@H]1CCS(=O)(=O)C1 ZINC000629569577 382231229 /nfs/dbraw/zinc/23/12/29/382231229.db2.gz QGCDUJWLVDNEBO-KGLIPLIRSA-N 2 0 349.497 -0.422 20 0 EBADRP CCN(C(=O)[C@H](C)N(C)CCOCC[NH2+]C)[C@@H]1CCS(=O)(=O)C1 ZINC000629569580 382231515 /nfs/dbraw/zinc/23/15/15/382231515.db2.gz QGCDUJWLVDNEBO-UONOGXRCSA-N 2 0 349.497 -0.422 20 0 EBADRP CO[C@H]1C[C@@H](C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)[N@H+](C)C1 ZINC000329026846 155201199 /nfs/dbraw/zinc/20/11/99/155201199.db2.gz OHLUAFDCWLMPKI-GJZGRUSLSA-N 2 0 338.452 -0.528 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CC1 ZINC000328991562 155200915 /nfs/dbraw/zinc/20/09/15/155200915.db2.gz DHGFGONVBDEERM-HOTGVXAUSA-N 2 0 349.479 -0.859 20 0 EBADRP Cn1cc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c(=O)n(C)c1=O ZINC000329424038 155224782 /nfs/dbraw/zinc/22/47/82/155224782.db2.gz IJVVTJYEHFUDOS-UHFFFAOYSA-N 2 0 349.479 -0.457 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@@H]1[NH+](C)C ZINC000331431999 155369616 /nfs/dbraw/zinc/36/96/16/155369616.db2.gz UHFLOICFQOBBGB-BEAPCOKYSA-N 2 0 348.451 -0.918 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCSC1 ZINC000331605329 155385706 /nfs/dbraw/zinc/38/57/06/155385706.db2.gz HZSNTJUTYYMQID-CJNGLKHVSA-N 2 0 340.493 -0.154 20 0 EBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)NCC[N@H+](C)CCOC)C2)CC1 ZINC000106557325 154090229 /nfs/dbraw/zinc/09/02/29/154090229.db2.gz RYFZWYZQUCHVNR-INIZCTEOSA-N 2 0 341.500 -0.014 20 0 EBADRP CNC(=O)[C@H](C)C[NH+](C)CC1(C[N@@H+](C)C[C@H](C)C(=O)NC)COC1 ZINC000182211511 154132762 /nfs/dbraw/zinc/13/27/62/154132762.db2.gz RVUZOKUITBJJIM-OKILXGFUSA-N 2 0 342.484 -0.369 20 0 EBADRP CN1CCN(C(=O)CCNC(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000194447153 154162798 /nfs/dbraw/zinc/16/27/98/154162798.db2.gz QLKNABIQMVBVOT-UHFFFAOYSA-N 2 0 337.468 -0.112 20 0 EBADRP CNC(=O)[C@@H](C)C[NH+](C)CC1(C[N@@H+](C)C[C@H](C)C(=O)NC)COC1 ZINC000248435891 154190241 /nfs/dbraw/zinc/19/02/41/154190241.db2.gz RVUZOKUITBJJIM-KBPBESRZSA-N 2 0 342.484 -0.369 20 0 EBADRP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261652298 154195671 /nfs/dbraw/zinc/19/56/71/154195671.db2.gz JTDFSBUTGUUVOC-CHWSQXEVSA-N 2 0 339.440 -0.588 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261647052 154196422 /nfs/dbraw/zinc/19/64/22/154196422.db2.gz JEKDUPIOTNKZEX-AVGNSLFASA-N 2 0 339.440 -0.589 20 0 EBADRP NC(=O)NC(=O)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261962073 154206381 /nfs/dbraw/zinc/20/63/81/154206381.db2.gz XYHSSHNZOCYANL-NEPJUHHUSA-N 2 0 325.413 -0.848 20 0 EBADRP CCc1nc(CN2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)no1 ZINC000262118779 154213660 /nfs/dbraw/zinc/21/36/60/154213660.db2.gz NCQAEACWIUNATM-UHFFFAOYSA-N 2 0 336.440 -0.429 20 0 EBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000262224960 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COC(=O)CC[C@H]([NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000342699928 156052711 /nfs/dbraw/zinc/05/27/11/156052711.db2.gz WWGKVHJPXMRAEN-ZDUSSCGKSA-N 2 0 340.424 -0.967 20 0 EBADRP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000343129458 156101386 /nfs/dbraw/zinc/10/13/86/156101386.db2.gz ZTCNQCSAIFSOEL-QGZVFWFLSA-N 2 0 336.480 -0.053 20 0 EBADRP CC(C)[C@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)[NH+]1CCN(C)CC1 ZINC000343436605 156134175 /nfs/dbraw/zinc/13/41/75/156134175.db2.gz DDEFAAISNCNTJT-DLBZAZTESA-N 2 0 337.512 -0.236 20 0 EBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000343429606 156134362 /nfs/dbraw/zinc/13/43/62/156134362.db2.gz CMSBWKZHQRCLQR-CQSZACIVSA-N 2 0 349.435 -0.270 20 0 EBADRP C[N@H+](CC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O)[C@@H]1CCSC1 ZINC000343572573 156144649 /nfs/dbraw/zinc/14/46/49/156144649.db2.gz FDPPXVVDMLXELQ-CHWSQXEVSA-N 2 0 328.482 -0.120 20 0 EBADRP C[N@H+](CC(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)[C@@H]1CCSC1 ZINC000343572581 156144757 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AQKVRKFJKNRZMW-AWEZNQCLSA-N 2 0 328.457 -0.378 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000355859984 157029844 /nfs/dbraw/zinc/02/98/44/157029844.db2.gz GDSMEBGYMCJHEZ-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP COCCN1CCN(C(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000355889028 157030954 /nfs/dbraw/zinc/03/09/54/157030954.db2.gz JMPWFDGSIHBTMM-UHFFFAOYSA-N 2 0 340.468 -0.375 20 0 EBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000357579525 157156106 /nfs/dbraw/zinc/15/61/06/157156106.db2.gz PDHVGXAOXAPJKF-ZIAGYGMSSA-N 2 0 340.468 -0.188 20 0 EBADRP CC(=O)N[C@H](C)C1CC[NH+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000357842577 157180753 /nfs/dbraw/zinc/18/07/53/157180753.db2.gz QDNOLNISABOLDQ-IUODEOHRSA-N 2 0 338.452 -0.088 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000358320555 157232407 /nfs/dbraw/zinc/23/24/07/157232407.db2.gz JSAMGVQZIFXFOU-UHFFFAOYSA-N 2 0 340.468 -0.186 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000358727385 157275071 /nfs/dbraw/zinc/27/50/71/157275071.db2.gz VXBUCOFVZVDIEG-INIZCTEOSA-N 2 0 328.457 -0.147 20 0 EBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2csc(CC[NH3+])n2)C1 ZINC000358847915 157280478 /nfs/dbraw/zinc/28/04/78/157280478.db2.gz ADCKMOMGLITBFT-NSHDSACASA-N 2 0 339.465 -0.039 20 0 EBADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+](CCOC)C1)C1CC1 ZINC000359274471 157310135 /nfs/dbraw/zinc/31/01/35/157310135.db2.gz DFLGLDFKGQUBNX-CYBMUJFWSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000360278437 157371664 /nfs/dbraw/zinc/37/16/64/157371664.db2.gz JSKMNDFYSPUIMG-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[NH+](C)CCN1C[C@H](C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1=O ZINC000360339851 157375552 /nfs/dbraw/zinc/37/55/52/157375552.db2.gz VWURVGVTUIDOMF-CZUORRHYSA-N 2 0 342.509 -0.050 20 0 EBADRP COC1(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC[NH2+]CC1 ZINC000374518830 157658457 /nfs/dbraw/zinc/65/84/57/157658457.db2.gz HFYRHYXSOPIIHQ-NSHDSACASA-N 2 0 338.374 -0.293 20 0 EBADRP CCCN(C(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C)[C@@H]1CC[N@H+](C)C1 ZINC000647032980 418979391 /nfs/dbraw/zinc/97/93/91/418979391.db2.gz IVDJUTUNRRKHFF-HUUCEWRRSA-N 2 0 339.484 -0.709 20 0 EBADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000516866267 419000772 /nfs/dbraw/zinc/00/07/72/419000772.db2.gz JRTYYQNWIBROFH-GJZGRUSLSA-N 2 0 338.452 -0.575 20 0 EBADRP C[NH2+]CCN(C)C(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000419372416 419006216 /nfs/dbraw/zinc/00/62/16/419006216.db2.gz KTORVPKTWMFOOW-UHFFFAOYSA-N 2 0 332.448 -0.120 20 0 EBADRP C[C@@H](NC(=O)N1CC(N2CC[C@@H](O)C2)C1)[C@@H](C)N1CCOCC1 ZINC000650850354 419082738 /nfs/dbraw/zinc/08/27/38/419082738.db2.gz NHEHSRZJVUCQQY-UMVBOHGHSA-N 2 0 326.441 -0.444 20 0 EBADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000650909340 419088605 /nfs/dbraw/zinc/08/86/05/419088605.db2.gz STGJDUWBBQXHGP-CQSZACIVSA-N 2 0 325.457 -0.114 20 0 EBADRP CO[C@H](C[NH3+])CC(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000262865822 419106879 /nfs/dbraw/zinc/10/68/79/419106879.db2.gz LVWYGUQRZUGVEX-HOTGVXAUSA-N 2 0 342.484 -0.396 20 0 EBADRP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655448462 419055195 /nfs/dbraw/zinc/05/51/95/419055195.db2.gz KVKNZBQNCFOKPG-SOLBZPMBSA-N 2 0 336.480 -0.101 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCN2CCCCCC2=O)CC1 ZINC000644513666 419167694 /nfs/dbraw/zinc/16/76/94/419167694.db2.gz JYNQKVOQYXQBKW-MRXNPFEDSA-N 2 0 326.485 -0.023 20 0 EBADRP CCS(=O)(=O)N1CC(C[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000644627767 419171298 /nfs/dbraw/zinc/17/12/98/419171298.db2.gz XTLAMBJYYNHFPX-GUTXKFCHSA-N 2 0 349.497 -0.672 20 0 EBADRP O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000516766872 419179438 /nfs/dbraw/zinc/17/94/38/419179438.db2.gz DDUINQQRMRIAIJ-GJZGRUSLSA-N 2 0 348.451 -0.176 20 0 EBADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000652695418 419180776 /nfs/dbraw/zinc/18/07/76/419180776.db2.gz USFYPQNDDZRKPT-UHFFFAOYSA-N 2 0 327.473 -0.898 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000651221777 419181472 /nfs/dbraw/zinc/18/14/72/419181472.db2.gz BLNBSXIMOAIMFN-UONOGXRCSA-N 2 0 346.497 -0.447 20 0 EBADRP CC[NH+]1CCN(CCNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000516649633 419244799 /nfs/dbraw/zinc/24/47/99/419244799.db2.gz XSKAGQUTDFCYTE-AWEZNQCLSA-N 2 0 335.456 -0.603 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC)CC2)C[C@H]1C[NH3+] ZINC000652670356 419247831 /nfs/dbraw/zinc/24/78/31/419247831.db2.gz OTPCPWZZXDJJCE-HUUCEWRRSA-N 2 0 340.468 -0.343 20 0 EBADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652680949 419251779 /nfs/dbraw/zinc/25/17/79/419251779.db2.gz VZOJMRYACYHXBP-ZIAGYGMSSA-N 2 0 328.457 -0.343 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@H]1C[NH3+] ZINC000652687770 419258673 /nfs/dbraw/zinc/25/86/73/419258673.db2.gz MDQASEMVTSEOIT-APIJFGDWSA-N 2 0 338.452 -0.448 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)C[C@H]1C[NH3+] ZINC000652688013 419259855 /nfs/dbraw/zinc/25/98/55/419259855.db2.gz TXODJVRQVYYZFQ-BPLDGKMQSA-N 2 0 338.452 -0.425 20 0 EBADRP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1=O ZINC000644894001 419260927 /nfs/dbraw/zinc/26/09/27/419260927.db2.gz BUCXUTKPHCPPHQ-KGLIPLIRSA-N 2 0 326.441 -0.624 20 0 EBADRP C[C@@H](O)[C@H]1CCN(c2cc(N3CC([N@@H+]4CC[C@@H](O)C4)C3)ncn2)C1 ZINC000651449150 419199010 /nfs/dbraw/zinc/19/90/10/419199010.db2.gz CXOOEYCIDMJDQC-VNHYZAJKSA-N 2 0 333.436 -0.061 20 0 EBADRP CC(C)[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C(N)=O ZINC000364152048 419199645 /nfs/dbraw/zinc/19/96/45/419199645.db2.gz XBUQACUFRQOMNL-GXTWGEPZSA-N 2 0 325.457 -0.036 20 0 EBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000651855504 419224430 /nfs/dbraw/zinc/22/44/30/419224430.db2.gz ALKQZLLVBSBKRZ-CQSZACIVSA-N 2 0 336.440 -0.064 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000652622178 419241351 /nfs/dbraw/zinc/24/13/51/419241351.db2.gz COWMMMLVSKOCKX-AEGPPILISA-N 2 0 348.451 -0.031 20 0 EBADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000652621949 419241891 /nfs/dbraw/zinc/24/18/91/419241891.db2.gz ZFOPKFMGNKQTLD-CHWSQXEVSA-N 2 0 336.440 -0.031 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cn1 ZINC000652612471 419242013 /nfs/dbraw/zinc/24/20/13/419242013.db2.gz SKBVLHSTQOWOLS-HNNXBMFYSA-N 2 0 335.456 -0.044 20 0 EBADRP COCC[N@H+](C)CCNC(=O)N1CC[NH+](C)C[C@@H](C(=O)OC)C1 ZINC000413238526 419306664 /nfs/dbraw/zinc/30/66/64/419306664.db2.gz IDUYOWUTJZJTHK-CYBMUJFWSA-N 2 0 330.429 -0.689 20 0 EBADRP CC[C@@H](C(=O)N(CCN1CC[NH+](C)CC1)CC(=O)OC)[NH+](C)C ZINC000413775046 419309437 /nfs/dbraw/zinc/30/94/37/419309437.db2.gz UGHURHDQCSSKLW-AWEZNQCLSA-N 2 0 328.457 -0.424 20 0 EBADRP CN(CCC[NH3+])CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000647849267 419310633 /nfs/dbraw/zinc/31/06/33/419310633.db2.gz NJFOHMHEXORFIW-UHFFFAOYSA-N 2 0 326.422 -0.496 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)C[C@H]1C[NH3+] ZINC000652729532 419324165 /nfs/dbraw/zinc/32/41/65/419324165.db2.gz JNVZJZIWMJYNTP-GBJTYRQASA-N 2 0 340.468 -0.393 20 0 EBADRP CCO[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)C[C@H]1C[NH3+] ZINC000652731764 419333834 /nfs/dbraw/zinc/33/38/34/419333834.db2.gz UFMNVJZNZRBJFU-QLFBSQMISA-N 2 0 340.468 -0.250 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340484135 419360083 /nfs/dbraw/zinc/36/00/83/419360083.db2.gz NAWRGMOMYWIKIW-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000342767025 419399392 /nfs/dbraw/zinc/39/93/92/419399392.db2.gz ZUUMBJCZLVDQDO-CHWSQXEVSA-N 2 0 342.440 -0.674 20 0 EBADRP CC(C)[N@H+](C)C[C@@H](O)CN1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000647966629 419401033 /nfs/dbraw/zinc/40/10/33/419401033.db2.gz ATKNHQOSGMXUMX-CVEARBPZSA-N 2 0 326.485 -0.074 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000346077519 419484484 /nfs/dbraw/zinc/48/44/84/419484484.db2.gz CJEFMIXZNHDYRN-KGLIPLIRSA-N 2 0 340.468 -0.236 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000346077527 419484653 /nfs/dbraw/zinc/48/46/53/419484653.db2.gz CJEFMIXZNHDYRN-ZIAGYGMSSA-N 2 0 340.468 -0.236 20 0 EBADRP Cn1cnn(CCC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1=O ZINC000645407640 419458570 /nfs/dbraw/zinc/45/85/70/419458570.db2.gz LZGAMXOEVSBROL-CYBMUJFWSA-N 2 0 336.440 -0.743 20 0 EBADRP C[NH+](C)[C@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@@H]1O ZINC000647995756 419459734 /nfs/dbraw/zinc/45/97/34/419459734.db2.gz ZNLQRWOZOYFCEM-KBMXLJTQSA-N 2 0 340.468 -0.196 20 0 EBADRP O=C(CNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[NH2+]CC1 ZINC000520579303 419564533 /nfs/dbraw/zinc/56/45/33/419564533.db2.gz LBZQLTLDYDSUNM-MRXNPFEDSA-N 2 0 345.447 -0.158 20 0 EBADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000333766442 419594389 /nfs/dbraw/zinc/59/43/89/419594389.db2.gz BJBYDINNFKGSKI-ZIAGYGMSSA-N 2 0 328.457 -0.149 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)NC[C@](C)(O)C[NH+](C)C)CC1 ZINC000532792787 419626196 /nfs/dbraw/zinc/62/61/96/419626196.db2.gz IFEZPYYVKUFHGV-INIZCTEOSA-N 2 0 329.489 -0.374 20 0 EBADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCOCC[NH+](C)C ZINC000360271693 419686876 /nfs/dbraw/zinc/68/68/76/419686876.db2.gz KNEOFOJJMJVFBK-ZIAGYGMSSA-N 2 0 328.457 -0.521 20 0 EBADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659717438 419787607 /nfs/dbraw/zinc/78/76/07/419787607.db2.gz HVZIXRDUFOZQHG-UONOGXRCSA-N 2 0 326.441 -0.545 20 0 EBADRP C[NH2+]CCNC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000419899748 419815386 /nfs/dbraw/zinc/81/53/86/419815386.db2.gz RMHASZXOJLQQDC-HUUCEWRRSA-N 2 0 339.484 -0.661 20 0 EBADRP CCC[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000419935510 419826702 /nfs/dbraw/zinc/82/67/02/419826702.db2.gz SGHOOWQHTDAAJN-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000420024710 419837761 /nfs/dbraw/zinc/83/77/61/419837761.db2.gz ZBWMEVMBBGKWDA-MJBXVCDLSA-N 2 0 328.457 -0.299 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CCO1 ZINC000659720880 419792451 /nfs/dbraw/zinc/79/24/51/419792451.db2.gz AMBFVPUVKCJGEG-HNNXBMFYSA-N 2 0 338.452 -0.409 20 0 EBADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000422375253 419886089 /nfs/dbraw/zinc/88/60/89/419886089.db2.gz JCAMIUGMYSAQGV-CQSZACIVSA-N 2 0 328.457 -0.378 20 0 EBADRP C[NH2+]CCCN(C)C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000423306337 419932361 /nfs/dbraw/zinc/93/23/61/419932361.db2.gz DMZLBNRVHSFCLI-UHFFFAOYSA-N 2 0 340.468 -0.375 20 0 EBADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000423285393 419934662 /nfs/dbraw/zinc/93/46/62/419934662.db2.gz ZFPJAOVMMULEKY-GJZGRUSLSA-N 2 0 337.468 -0.826 20 0 EBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000423259104 419925750 /nfs/dbraw/zinc/92/57/50/419925750.db2.gz NLXRDXPILSJRLL-CYBMUJFWSA-N 2 0 347.419 -0.441 20 0 EBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000423260890 419926966 /nfs/dbraw/zinc/92/69/66/419926966.db2.gz IPTJDRIRESMVQX-ZNMIVQPWSA-N 2 0 340.468 -0.391 20 0 EBADRP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)CN1CCOCC1 ZINC000514933800 419976038 /nfs/dbraw/zinc/97/60/38/419976038.db2.gz ZANBFKUFUIISJS-BRWVUGGUSA-N 2 0 327.469 -0.353 20 0 EBADRP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC3CC[NH+](C4CCC4)CC3)CCN2C1=O ZINC000515673290 419986152 /nfs/dbraw/zinc/98/61/52/419986152.db2.gz SXHFYXULKWZPJL-HUUCEWRRSA-N 2 0 335.452 -0.043 20 0 EBADRP Cn1cnc(CCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000645767478 420516483 /nfs/dbraw/zinc/51/64/83/420516483.db2.gz FMLHRTYGJATERU-UHFFFAOYSA-N 2 0 325.461 -0.118 20 0 EBADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCOCC2)C1 ZINC000659816409 420522708 /nfs/dbraw/zinc/52/27/08/420522708.db2.gz DNKFYSLBGWNMNW-CABCVRRESA-N 2 0 338.452 -0.528 20 0 EBADRP CC1CC[NH+](C[C@H](O)CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000645959187 420530121 /nfs/dbraw/zinc/53/01/21/420530121.db2.gz FAEPIFVSIOSDGM-ZIAGYGMSSA-N 2 0 326.441 -0.936 20 0 EBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000645951439 420530379 /nfs/dbraw/zinc/53/03/79/420530379.db2.gz IQQSVICXWMXQDT-GXTWGEPZSA-N 2 0 349.439 -0.900 20 0 EBADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000646009623 420533703 /nfs/dbraw/zinc/53/37/03/420533703.db2.gz XTGSCLDKWKHBJT-HOTGVXAUSA-N 2 0 336.480 -0.101 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000646188971 420539296 /nfs/dbraw/zinc/53/92/96/420539296.db2.gz BIQPFKDEWOFFES-KKUMJFAQSA-N 2 0 327.473 -0.182 20 0 EBADRP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CC[C@H](CN3CCOC3=O)C2)C1=O ZINC000496987248 420655218 /nfs/dbraw/zinc/65/52/18/420655218.db2.gz RZVBFVDHQHQOCT-STQMWFEESA-N 2 0 338.408 -0.550 20 0 EBADRP CC(C)[N@H+](C)C[C@@H](O)CN1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000659995758 420665980 /nfs/dbraw/zinc/66/59/80/420665980.db2.gz CFNKYKLTXOKPBE-CJNGLKHVSA-N 2 0 326.441 -0.002 20 0 EBADRP O=C(N[C@@H]1CCC[NH2+]CC1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529342578 420763083 /nfs/dbraw/zinc/76/30/83/420763083.db2.gz UUKYFRAGZUGINU-CQSZACIVSA-N 2 0 338.456 -0.519 20 0 EBADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000529344070 420763935 /nfs/dbraw/zinc/76/39/35/420763935.db2.gz ZFGOSEWHFXRWIG-ZIAGYGMSSA-N 2 0 338.456 -0.663 20 0 EBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)NC[C@@H]3COCC[NH2+]3)CC2)C1 ZINC000529381198 420765128 /nfs/dbraw/zinc/76/51/28/420765128.db2.gz QNOJSXZYOOCVRM-CABCVRRESA-N 2 0 325.457 -0.604 20 0 EBADRP COCC[NH+]1CCC(NC(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000524935032 420739436 /nfs/dbraw/zinc/73/94/36/420739436.db2.gz OOQDSZVPLYOHIH-UHFFFAOYSA-N 2 0 328.457 -0.147 20 0 EBADRP O=C(CC1([NH+]2CCOCC2)CCCC1)NCC(=O)N1CC[NH2+]CC1 ZINC000649269743 420792194 /nfs/dbraw/zinc/79/21/94/420792194.db2.gz ULCMBNLNUKSHQF-UHFFFAOYSA-N 2 0 338.452 -0.431 20 0 EBADRP CCN(CC)C(=O)CN1CCCN(C(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649287531 420795927 /nfs/dbraw/zinc/79/59/27/420795927.db2.gz NSXUNLLKTRYXNP-UHFFFAOYSA-N 2 0 340.468 -0.232 20 0 EBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)COC2(C)C[NH2+]C2)c1 ZINC000649311348 420797638 /nfs/dbraw/zinc/79/76/38/420797638.db2.gz JJNQZUAEHRVEBY-UHFFFAOYSA-N 2 0 348.447 -0.027 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)COC1(C)C[NH2+]C1 ZINC000649318513 420798949 /nfs/dbraw/zinc/79/89/49/420798949.db2.gz RCXQVYGLMGYXKK-CYBMUJFWSA-N 2 0 326.441 -0.576 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000564792878 420812520 /nfs/dbraw/zinc/81/25/20/420812520.db2.gz DHBRGNLPRLWVGP-HZPDHXFCSA-N 2 0 334.468 -0.357 20 0 EBADRP COC[C@H]1C[C@@H](O)C[NH+]1CCOCC[N@H+]1C[C@H](O)C[C@@H]1COC ZINC000649764088 420815662 /nfs/dbraw/zinc/81/56/62/420815662.db2.gz PVDYBCDQZBXOCG-KLHDSHLOSA-N 2 0 332.441 -0.834 20 0 EBADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654433135 420828456 /nfs/dbraw/zinc/82/84/56/420828456.db2.gz WKXZJVFKEZTWKV-SOUVJXGZSA-N 2 0 325.457 -0.917 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](CO)NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC000654997596 420848018 /nfs/dbraw/zinc/84/80/18/420848018.db2.gz GAHXJAJKAHZTQA-ILXRZTDVSA-N 2 0 340.468 -0.737 20 0 EBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655913624 420859604 /nfs/dbraw/zinc/85/96/04/420859604.db2.gz BQYOJDXZJJYTQO-UWVGGRQHSA-N 2 0 339.362 -0.237 20 0 EBADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000655956334 420861001 /nfs/dbraw/zinc/86/10/01/420861001.db2.gz VPWQHZPXXVEYTJ-BYCMXARLSA-N 2 0 332.404 -0.078 20 0 EBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656020253 420865768 /nfs/dbraw/zinc/86/57/68/420865768.db2.gz PFJLQTOGJFCLSP-YIYPIFLZSA-N 2 0 326.441 -0.532 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656020330 420866363 /nfs/dbraw/zinc/86/63/63/420866363.db2.gz QCRLUCOBXVXKKV-BYNSBNAKSA-N 2 0 340.468 -0.141 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656020879 420866433 /nfs/dbraw/zinc/86/64/33/420866433.db2.gz VOSWZGZNXBBDKJ-FMSGJZPZSA-N 2 0 326.441 -0.546 20 0 EBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656021924 420866623 /nfs/dbraw/zinc/86/66/23/420866623.db2.gz ORGDGLNAVOEINH-NIFZNCRKSA-N 2 0 340.468 -0.014 20 0 EBADRP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656024889 420866904 /nfs/dbraw/zinc/86/69/04/420866904.db2.gz UBRTXGWUHIASBP-ARILJUKYSA-N 2 0 340.468 -0.286 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656023080 420866950 /nfs/dbraw/zinc/86/69/50/420866950.db2.gz UOBSWKMUQOQOHA-BYNSBNAKSA-N 2 0 340.468 -0.141 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656020293 420867682 /nfs/dbraw/zinc/86/76/82/420867682.db2.gz POMCDUJJULZSMH-BYNSBNAKSA-N 2 0 340.468 -0.284 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656041294 420868437 /nfs/dbraw/zinc/86/84/37/420868437.db2.gz OZYGRRVVSLWLAP-SYQHCUMBSA-N 2 0 326.441 -0.579 20 0 EBADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000656025477 420869259 /nfs/dbraw/zinc/86/92/59/420869259.db2.gz LDSMEIIBTSWXBU-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656025385 420869278 /nfs/dbraw/zinc/86/92/78/420869278.db2.gz JCFOTODKLMKCOT-ZIAGYGMSSA-N 2 0 326.441 -0.528 20 0 EBADRP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CCN1C ZINC000656075660 420875274 /nfs/dbraw/zinc/87/52/74/420875274.db2.gz QRFZCZLUVHBWID-ZNMIVQPWSA-N 2 0 338.452 -0.938 20 0 EBADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656081203 420876124 /nfs/dbraw/zinc/87/61/24/420876124.db2.gz QBKHXPJVIBOZHC-LSDHHAIUSA-N 2 0 340.468 -0.546 20 0 EBADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656102653 420881015 /nfs/dbraw/zinc/88/10/15/420881015.db2.gz MXJIPMBFSZELOK-BFHYXJOUSA-N 2 0 326.441 -0.904 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656325288 420888975 /nfs/dbraw/zinc/88/89/75/420888975.db2.gz NXCIQJIZOWQHBR-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000659686033 421014975 /nfs/dbraw/zinc/01/49/75/421014975.db2.gz XQUJWWQVOYRTKD-ZIAGYGMSSA-N 2 0 327.473 -0.901 20 0 EBADRP [NH3+][C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC[C@H]1F ZINC000659700970 421016867 /nfs/dbraw/zinc/01/68/67/421016867.db2.gz AWEFMIHHACYKNG-ZIAGYGMSSA-N 2 0 326.416 -0.125 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659709475 421018764 /nfs/dbraw/zinc/01/87/64/421018764.db2.gz JOUOQMKACYWKKC-CQSZACIVSA-N 2 0 341.500 -0.428 20 0 EBADRP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000659712841 421018863 /nfs/dbraw/zinc/01/88/63/421018863.db2.gz GHKMDJXPGLIXQC-GDBMZVCRSA-N 2 0 347.463 -0.618 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CCO1 ZINC000659716329 421020018 /nfs/dbraw/zinc/02/00/18/421020018.db2.gz ZGQBFBOTWZCAQI-KBPBESRZSA-N 2 0 326.441 -0.591 20 0 EBADRP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659715145 421020051 /nfs/dbraw/zinc/02/00/51/421020051.db2.gz OMUNEACZHNGNOL-GJZGRUSLSA-N 2 0 338.452 -0.386 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000659749002 421029212 /nfs/dbraw/zinc/02/92/12/421029212.db2.gz DFMVNGPOLJXARI-LBPRGKRZSA-N 2 0 335.408 -0.537 20 0 EBADRP O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662426594 421086670 /nfs/dbraw/zinc/08/66/70/421086670.db2.gz WAMQBJPVSTVYIG-UHFFFAOYSA-N 2 0 346.395 -0.078 20 0 EBADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)C3(O)C[NH2+]C3)c2)C1 ZINC000662717249 421096214 /nfs/dbraw/zinc/09/62/14/421096214.db2.gz MQTBQJTXOCRHCU-HNNXBMFYSA-N 2 0 346.431 -0.666 20 0 EBADRP C[NH+]1CCN(c2cc(CNC(=O)[C@@H]3CCO[C@@H]3C[NH3+])ccn2)CC1 ZINC000662757293 421099632 /nfs/dbraw/zinc/09/96/32/421099632.db2.gz KZTBIVXACAOKDP-HUUCEWRRSA-N 2 0 333.436 -0.187 20 0 EBADRP [NH3+]CCn1cc(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)nn1 ZINC000662859168 421103425 /nfs/dbraw/zinc/10/34/25/421103425.db2.gz KVBRHDKACVEPDE-HNNXBMFYSA-N 2 0 344.419 -0.267 20 0 EBADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000662940589 421115430 /nfs/dbraw/zinc/11/54/30/421115430.db2.gz XCRMTMCJCFFKNP-SYQHCUMBSA-N 2 0 326.416 -0.173 20 0 EBADRP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000662951567 421115847 /nfs/dbraw/zinc/11/58/47/421115847.db2.gz MMGCCORNYPZEJO-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CCO1 ZINC000662950925 421116575 /nfs/dbraw/zinc/11/65/75/421116575.db2.gz GHURHSJAGZRYQC-PBHICJAKSA-N 2 0 340.468 -0.247 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C[C@H]1[NH3+] ZINC000662959173 421117654 /nfs/dbraw/zinc/11/76/54/421117654.db2.gz ZZNQHWSQOAODJJ-MGPQQGTHSA-N 2 0 326.441 -0.639 20 0 EBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663017162 421123424 /nfs/dbraw/zinc/12/34/24/421123424.db2.gz INTHXQZSFFRZFH-WVZRYYJFSA-N 2 0 344.463 -0.009 20 0 EBADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663017161 421123577 /nfs/dbraw/zinc/12/35/77/421123577.db2.gz INTHXQZSFFRZFH-SZOQZIPDSA-N 2 0 344.463 -0.009 20 0 EBADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663014911 421123657 /nfs/dbraw/zinc/12/36/57/421123657.db2.gz POAJFVCKUZLMQH-HIFRSBDPSA-N 2 0 348.451 -0.486 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CNC2(CO)CC[NH2+]CC2)C1 ZINC000662286865 421082841 /nfs/dbraw/zinc/08/28/41/421082841.db2.gz NJYYLRONRLIFKI-HNNXBMFYSA-N 2 0 342.484 -0.837 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000664183226 421150649 /nfs/dbraw/zinc/15/06/49/421150649.db2.gz QFUSCDKLCISOHO-GOEBONIOSA-N 2 0 340.468 -0.052 20 0 EBADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000415573098 421185516 /nfs/dbraw/zinc/18/55/16/421185516.db2.gz VFVXZHZFGMPELR-NWDGAFQWSA-N 2 0 328.376 0.415 20 0 EBADRP C[C@H]1[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CCC[N@@H+]1C ZINC000344408436 421212874 /nfs/dbraw/zinc/21/28/74/421212874.db2.gz BJMJEDRFMUGOSF-STQMWFEESA-N 2 0 336.440 -0.018 20 0 EBADRP C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000337525606 421194639 /nfs/dbraw/zinc/19/46/39/421194639.db2.gz BHQAEMVEYGEIPN-MRXNPFEDSA-N 2 0 346.391 -0.365 20 0 EBADRP C[NH+]1CCC(n2ccc(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)n2)CC1 ZINC000580147179 421203646 /nfs/dbraw/zinc/20/36/46/421203646.db2.gz HAMPFAJCQBNNAP-OAHLLOKOSA-N 2 0 332.452 0.478 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427092827 421204812 /nfs/dbraw/zinc/20/48/12/421204812.db2.gz LPEDVBKJIHKZTJ-CQSZACIVSA-N 2 0 348.451 0.299 20 0 EBADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000348635083 421266840 /nfs/dbraw/zinc/26/68/40/421266840.db2.gz LXMDBDBFHFIDDU-UHFFFAOYSA-N 2 0 340.387 0.512 20 0 EBADRP COCC[NH2+]CCCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000442191991 421268505 /nfs/dbraw/zinc/26/85/05/421268505.db2.gz FAKDVSJGXBNJNL-UHFFFAOYSA-N 2 0 346.391 -0.052 20 0 EBADRP C[NH+](C)C1(CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCC1 ZINC000418058840 264820990 /nfs/dbraw/zinc/82/09/90/264820990.db2.gz LYJLPYDWKXTANM-CYBMUJFWSA-N 2 0 325.457 -0.033 20 0 EBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000419548751 264878833 /nfs/dbraw/zinc/87/88/33/264878833.db2.gz UKNJTARIKIMGNS-ZIAGYGMSSA-N 2 0 340.468 -0.188 20 0 EBADRP CC(C)[NH+](CCNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)C(C)C ZINC000419799176 264888849 /nfs/dbraw/zinc/88/88/49/264888849.db2.gz ZSUQQMIDXSNDTI-CQSZACIVSA-N 2 0 328.457 -0.202 20 0 EBADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)C[NH3+])C1 ZINC000419966542 264911733 /nfs/dbraw/zinc/91/17/33/264911733.db2.gz ZWGRCEWCGUTZLN-KBPBESRZSA-N 2 0 328.457 -0.343 20 0 EBADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000423398142 265002926 /nfs/dbraw/zinc/00/29/26/265002926.db2.gz TZXKZSGUKZBBRE-KKUMJFAQSA-N 2 0 340.468 -0.106 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C1 ZINC000423614805 265020653 /nfs/dbraw/zinc/02/06/53/265020653.db2.gz XOGZZXVSONIMKY-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000424155199 265050608 /nfs/dbraw/zinc/05/06/08/265050608.db2.gz MLFJLYVGKQGBGD-TZMCWYRMSA-N 2 0 348.451 -0.054 20 0 EBADRP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000424155196 265050900 /nfs/dbraw/zinc/05/09/00/265050900.db2.gz MLFJLYVGKQGBGD-GXTWGEPZSA-N 2 0 348.451 -0.054 20 0 EBADRP COCC(C)(C)[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000424218769 265051832 /nfs/dbraw/zinc/05/18/32/265051832.db2.gz WVVJVRGDEKHWKB-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP Cn1cnc2c1c(=O)n(CCC[NH2+][C@@H]1CCCC[C@H]1[NH3+])c(=O)n2C ZINC000424299392 265056314 /nfs/dbraw/zinc/05/63/14/265056314.db2.gz DXQOECCPQNSCQG-VXGBXAGGSA-N 2 0 334.424 -0.317 20 0 EBADRP COCC(C)(C)N1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000424490980 265067042 /nfs/dbraw/zinc/06/70/42/265067042.db2.gz BIJZBRVVEHVMMV-KGLIPLIRSA-N 2 0 340.468 -0.236 20 0 EBADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424494670 265067820 /nfs/dbraw/zinc/06/78/20/265067820.db2.gz OBSFASDGVQKRON-QLFBSQMISA-N 2 0 348.451 -0.774 20 0 EBADRP CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000430647871 265151897 /nfs/dbraw/zinc/15/18/97/265151897.db2.gz QQVFGKXFNBXQIT-CABCVRRESA-N 2 0 339.484 -0.674 20 0 EBADRP COCC[NH2+]CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000431030221 265158749 /nfs/dbraw/zinc/15/87/49/265158749.db2.gz KNOLVYNIOKEMJO-UHFFFAOYSA-N 3 0 335.452 -0.054 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)NC[C@]2(O)CC[NH+](C)C2)CCCO1 ZINC000433459344 265189204 /nfs/dbraw/zinc/18/92/04/265189204.db2.gz XNMKPZOUVGXZAT-GOEBONIOSA-N 2 0 328.457 -0.147 20 0 EBADRP CC[NH+]1CCN(CCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000434420751 265203957 /nfs/dbraw/zinc/20/39/57/265203957.db2.gz SEJQFCSWNWPUJF-MRXNPFEDSA-N 2 0 326.485 -0.023 20 0 EBADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000436068159 265237044 /nfs/dbraw/zinc/23/70/44/265237044.db2.gz VPMNOBIICUZKCF-CQSZACIVSA-N 2 0 326.441 -0.445 20 0 EBADRP O=C(CN1CN=NC1=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000436250392 265237587 /nfs/dbraw/zinc/23/75/87/265237587.db2.gz YDEYZEIIBVGMKW-UHFFFAOYSA-N 2 0 345.407 -0.293 20 0 EBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnnn1C ZINC000440054938 265276760 /nfs/dbraw/zinc/27/67/60/265276760.db2.gz VVECYTYYPGZGIZ-ZDUSSCGKSA-N 2 0 344.485 -0.148 20 0 EBADRP COC[C@@]1(C(=O)OC)CC[N@@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC000448557215 265390839 /nfs/dbraw/zinc/39/08/39/265390839.db2.gz SXLSUYLYFMEQRG-MLGOLLRUSA-N 2 0 341.408 -0.813 20 0 EBADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529340923 265702783 /nfs/dbraw/zinc/70/27/83/265702783.db2.gz IZDDFSKKEPYTEG-HZPDHXFCSA-N 2 0 339.484 -0.310 20 0 EBADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000419999509 272817427 /nfs/dbraw/zinc/81/74/27/272817427.db2.gz SCABVWPUMJICKI-LSDHHAIUSA-N 2 0 339.484 -0.532 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000331470354 278051295 /nfs/dbraw/zinc/05/12/95/278051295.db2.gz GMTGHODSPMCMLY-DGAVXFQQSA-N 2 0 338.452 -0.232 20 0 EBADRP C[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000670545832 545650481 /nfs/dbraw/zinc/65/04/81/545650481.db2.gz UZKFMMNYJGVJMD-UHFFFAOYSA-N 2 0 331.420 -0.059 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCCn2ccnc2)CCO1 ZINC000668376352 545664599 /nfs/dbraw/zinc/66/45/99/545664599.db2.gz BXOKPQVBSGRMBI-AWEZNQCLSA-N 2 0 337.424 -0.432 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000670671963 545714722 /nfs/dbraw/zinc/71/47/22/545714722.db2.gz NCVYPNXXEQDWND-GJZGRUSLSA-N 2 0 340.468 -0.330 20 0 EBADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000672597064 545714944 /nfs/dbraw/zinc/71/49/44/545714944.db2.gz HWOYCYZMPZCLID-HUUCEWRRSA-N 2 0 339.484 -0.663 20 0 EBADRP COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000073439052 545725212 /nfs/dbraw/zinc/72/52/12/545725212.db2.gz GUTCYUMAFGAYDR-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP COC[C@@H](C)CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000671811688 545739095 /nfs/dbraw/zinc/73/90/95/545739095.db2.gz DEAYEPRWBXOHQO-UONOGXRCSA-N 2 0 340.468 -0.330 20 0 EBADRP COCC[N@H+](C)CCNC(=O)C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000668750836 545752620 /nfs/dbraw/zinc/75/26/20/545752620.db2.gz NOKMYONWMSFSEG-ZDUSSCGKSA-N 2 0 328.457 -0.330 20 0 EBADRP CCN(C(=O)C(=O)N[C@H]1CC[NH+](CCOC)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000668843449 545770777 /nfs/dbraw/zinc/77/07/77/545770777.db2.gz RGCVCHXNGABHRM-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP C[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000669403293 545868267 /nfs/dbraw/zinc/86/82/67/545868267.db2.gz SLQUEHPBGPSCFE-HUUCEWRRSA-N 2 0 337.468 -0.066 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCCOC1 ZINC000671335561 545983274 /nfs/dbraw/zinc/98/32/74/545983274.db2.gz RNHUYKWTIPGBLL-AWEZNQCLSA-N 2 0 328.457 -0.519 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000672015151 546077734 /nfs/dbraw/zinc/07/77/34/546077734.db2.gz RNLWBRNAOWLJEX-DZGCQCFKSA-N 2 0 340.468 -0.330 20 0 EBADRP CC[NH+]1CCN(CC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000673672772 546146144 /nfs/dbraw/zinc/14/61/44/546146144.db2.gz JHRMJJSQCAGBNH-KRWDZBQOSA-N 2 0 337.512 -0.138 20 0 EBADRP C[C@@H](C(=O)NCC1(NC(=O)[C@H](C)[NH+](C)C)CCOCC1)[NH+](C)C ZINC000674265654 546158905 /nfs/dbraw/zinc/15/89/05/546158905.db2.gz VBGGIMUMZNWWDN-STQMWFEESA-N 2 0 328.457 -0.332 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NCCC[NH+]2CCCC2)cn1 ZINC000676089738 546194584 /nfs/dbraw/zinc/19/45/84/546194584.db2.gz LJLFONULYLNNPT-UHFFFAOYSA-N 2 0 336.440 -0.015 20 0 EBADRP C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000676097419 546195403 /nfs/dbraw/zinc/19/54/03/546195403.db2.gz LUIUNOQILOYGED-CYBMUJFWSA-N 2 0 336.440 -0.159 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000680507917 546289897 /nfs/dbraw/zinc/28/98/97/546289897.db2.gz BAWXEKUAFKXMLV-MRXNPFEDSA-N 2 0 341.500 -0.014 20 0 EBADRP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891565466 582558488 /nfs/dbraw/zinc/55/84/88/582558488.db2.gz PBPCARVTHQSXBC-XHSDSOJGSA-N 2 0 337.468 -0.461 20 0 EBADRP O=C(NCC(=O)N1CC[NH2+]CC1)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000891970156 582564304 /nfs/dbraw/zinc/56/43/04/582564304.db2.gz ICJOCUSFJWOHLU-OAHLLOKOSA-N 2 0 331.420 -0.568 20 0 EBADRP [NH3+]C[C@H]1CN(C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC000891971646 582564488 /nfs/dbraw/zinc/56/44/88/582564488.db2.gz WYGIBVFTMAOUFY-VHSXEESVSA-N 2 0 337.346 -0.803 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892099283 582567191 /nfs/dbraw/zinc/56/71/91/582567191.db2.gz IESXUGKAMMBZPN-XQHKEYJVSA-N 2 0 325.413 -0.439 20 0 EBADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892198751 582569217 /nfs/dbraw/zinc/56/92/17/582569217.db2.gz FOSBCEPNXHBJDC-OFTGVCEQSA-N 2 0 325.413 -0.311 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCOCCC[NH3+])C[C@H]1C[NH+](C)C ZINC000892295547 582573539 /nfs/dbraw/zinc/57/35/39/582573539.db2.gz ITVAAIZZAWZODV-HUUCEWRRSA-N 3 0 329.489 -0.267 20 0 EBADRP COC(=O)[C@H]1CN(C(=S)NC2CC[NH+](C)CC2)CC[N@H+](C)C1 ZINC000840856763 582575765 /nfs/dbraw/zinc/57/57/65/582575765.db2.gz KVJHRKRLHGOEGD-GFCCVEGCSA-N 2 0 328.482 -0.008 20 0 EBADRP COCC[N@H+](C)CCNC(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000892687348 582585783 /nfs/dbraw/zinc/58/57/83/582585783.db2.gz KFAYRYZIPNNQLW-LSDHHAIUSA-N 2 0 328.457 -0.195 20 0 EBADRP CC[N@H+](CCO)CCNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892766039 582586991 /nfs/dbraw/zinc/58/69/91/582586991.db2.gz JWUJJIPZOMNSJO-AWEZNQCLSA-N 2 0 328.457 -0.242 20 0 EBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892768147 582587359 /nfs/dbraw/zinc/58/73/59/582587359.db2.gz HVEINMQWLAZGQB-HIFRSBDPSA-N 2 0 328.457 -0.243 20 0 EBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCC(O)CC1 ZINC000892944003 582590718 /nfs/dbraw/zinc/59/07/18/582590718.db2.gz MQNWWLGJJYHURL-CQSZACIVSA-N 2 0 328.457 -0.147 20 0 EBADRP O=C(NCC[NH+]1CCCOCC1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000895045950 582638381 /nfs/dbraw/zinc/63/83/81/582638381.db2.gz CZWVSXBABXIZPU-CVEARBPZSA-N 2 0 340.468 -0.051 20 0 EBADRP O=C(CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000728913495 582680213 /nfs/dbraw/zinc/68/02/13/582680213.db2.gz KZUCNPLSDOCWKI-BETUJISGSA-N 2 0 349.435 -0.186 20 0 EBADRP CN1CC[NH+](C2CCN(C(=O)C3C[NH+]([C@@H]4CCOC4)C3)CC2)CC1 ZINC000899178484 582746332 /nfs/dbraw/zinc/74/63/32/582746332.db2.gz CZJVVFLHFLMDNB-QGZVFWFLSA-N 2 0 336.480 -0.055 20 0 EBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)NCc1cccnc1)C2 ZINC000903492401 582809266 /nfs/dbraw/zinc/80/92/66/582809266.db2.gz CDYBPWCMGYOINR-VBQJREDUSA-N 2 0 332.404 -0.090 20 0 EBADRP O=C(CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)N1CC[NH2+]CC1 ZINC000903508724 582809512 /nfs/dbraw/zinc/80/95/12/582809512.db2.gz SJXKQJZEINDURK-CALCHBBNSA-N 3 0 335.496 -0.291 20 0 EBADRP C[C@@H]1C[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C[C@H]1CC[NH3+] ZINC000903496770 582809618 /nfs/dbraw/zinc/80/96/18/582809618.db2.gz CEUHSSRHTKBCEI-HUUCEWRRSA-N 2 0 339.484 -0.865 20 0 EBADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@@H]1CCN(c3cnn(C)c3)C1=O)C2 ZINC000903492923 582809783 /nfs/dbraw/zinc/80/97/83/582809783.db2.gz LPKRQPQXWPBJLI-RKCSVJPLSA-N 2 0 347.419 -0.262 20 0 EBADRP O=C([C@@H]1CCC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1)N1CC[NH2+]CC1 ZINC000903713145 582814966 /nfs/dbraw/zinc/81/49/66/582814966.db2.gz GHOGFUWXPUBGMM-JFIYKMOQSA-N 3 0 336.480 -0.101 20 0 EBADRP COCCN1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H](CC[NH3+])C2)CC1 ZINC000903715322 582814972 /nfs/dbraw/zinc/81/49/72/582814972.db2.gz SYBUONASZZJSRE-ZIAGYGMSSA-N 2 0 326.441 -0.780 20 0 EBADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)cnn1C ZINC000903905253 582823433 /nfs/dbraw/zinc/82/34/33/582823433.db2.gz BULFSCNQKQSTNN-NVXWUHKLSA-N 2 0 348.495 -0.258 20 0 EBADRP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000838301449 583053684 /nfs/dbraw/zinc/05/36/84/583053684.db2.gz DLHWXGXZDBYNKT-OWCLPIDISA-N 2 0 340.468 -0.004 20 0 EBADRP C[NH+](C)CCNC(=O)C(F)(F)C(F)(F)C(=O)NCC[NH+](C)C ZINC000751544477 583146532 /nfs/dbraw/zinc/14/65/32/583146532.db2.gz YJUWXZNTGZAPEM-UHFFFAOYSA-N 2 0 330.326 -0.387 20 0 EBADRP CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000775036469 583394333 /nfs/dbraw/zinc/39/43/33/583394333.db2.gz UOEGSOUWQSEDQS-CABCVRRESA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)CC[N@@H+]1C ZINC000804054724 583638637 /nfs/dbraw/zinc/63/86/37/583638637.db2.gz WBWHYPCKQUQLDX-APIJFGDWSA-N 2 0 338.452 -0.435 20 0 EBADRP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[NH+](C)C1CC1 ZINC000804058537 583640614 /nfs/dbraw/zinc/64/06/14/583640614.db2.gz FFFMXKXUKJOETK-VHDGCEQUSA-N 2 0 338.452 -0.435 20 0 EBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000827706297 583926490 /nfs/dbraw/zinc/92/64/90/583926490.db2.gz KYBABFPQGUBZNN-RRFJBIMHSA-N 2 0 338.452 -0.434 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000827936263 583929604 /nfs/dbraw/zinc/92/96/04/583929604.db2.gz IDJQGKZQWRQVKO-BFHYXJOUSA-N 2 0 334.424 -0.204 20 0 EBADRP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000829256832 583951906 /nfs/dbraw/zinc/95/19/06/583951906.db2.gz BYGFWWBRBKKBMW-MRXNPFEDSA-N 2 0 336.480 -0.053 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](O)C2)C[C@H]1C[NH+](C)C ZINC000867280059 584055691 /nfs/dbraw/zinc/05/56/91/584055691.db2.gz LYSFGGRMMFBEOJ-RBSFLKMASA-N 2 0 340.468 -0.833 20 0 EBADRP [NH3+]C[C@H](NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCCC1 ZINC000842164275 584058609 /nfs/dbraw/zinc/05/86/09/584058609.db2.gz HRGNQOKPFRUECP-KFWWJZLASA-N 2 0 338.452 -0.401 20 0 EBADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000842165565 584058839 /nfs/dbraw/zinc/05/88/39/584058839.db2.gz ZKDAXTTWUPGPCK-MGPQQGTHSA-N 2 0 326.441 -0.401 20 0 EBADRP COCCN1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000867314708 584069488 /nfs/dbraw/zinc/06/94/88/584069488.db2.gz QRAOSNKSUUIPRI-CABCVRRESA-N 2 0 338.452 -0.670 20 0 EBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NCCCCCC[NH3+])CC1(C)C ZINC000843261176 584074510 /nfs/dbraw/zinc/07/45/10/584074510.db2.gz IGRNTHLYRVEQME-UHFFFAOYSA-N 2 0 341.500 -0.236 20 0 EBADRP O=C(CO[C@H]1CCC[NH2+]C1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000844181043 584090288 /nfs/dbraw/zinc/09/02/88/584090288.db2.gz NIUZGOJVXOISBD-HNNXBMFYSA-N 2 0 338.452 -0.478 20 0 EBADRP CCO[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C[C@H]1C[NH3+] ZINC000846142993 584122417 /nfs/dbraw/zinc/12/24/17/584122417.db2.gz CBBWIGOVWHADDS-CBBWQLFWSA-N 2 0 326.441 -0.145 20 0 EBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C3=NO[C@@H](C[NH3+])C3)cn2)CC1 ZINC000852872341 584218349 /nfs/dbraw/zinc/21/83/49/584218349.db2.gz DWMOYVXTPSORCZ-CQSZACIVSA-N 2 0 346.435 -0.057 20 0 EBADRP [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)=NO1 ZINC000852874411 584218508 /nfs/dbraw/zinc/21/85/08/584218508.db2.gz OYFGNLMAIXNVFG-RWMBFGLXSA-N 2 0 337.424 -0.803 20 0 EBADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)C2 ZINC000857102383 584274330 /nfs/dbraw/zinc/27/43/30/584274330.db2.gz QUXNXJKQNHUCKL-WBOJAVRRSA-N 2 0 336.436 -0.694 20 0 EBADRP [NH3+]C[C@@H](NC(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)C1CC1 ZINC000861640623 584332260 /nfs/dbraw/zinc/33/22/60/584332260.db2.gz MZTNZVRTYNXNNO-MCIONIFRSA-N 2 0 337.424 -0.310 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000861737111 584336132 /nfs/dbraw/zinc/33/61/32/584336132.db2.gz TWHOIEYKHSULAY-CFVMTHIKSA-N 2 0 340.468 -0.324 20 0 EBADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000861743587 584336701 /nfs/dbraw/zinc/33/67/01/584336701.db2.gz BPTKQRCZSQLIOV-CHWSQXEVSA-N 2 0 326.441 -0.401 20 0 EBADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000863757628 584376978 /nfs/dbraw/zinc/37/69/78/584376978.db2.gz OTYANDXWTVAHBN-ZDUSSCGKSA-N 2 0 326.441 -0.637 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])C1 ZINC000863763409 584377433 /nfs/dbraw/zinc/37/74/33/584377433.db2.gz BZPLOBLELMGGNX-ZIAGYGMSSA-N 2 0 328.457 -0.249 20 0 EBADRP CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711366 584404269 /nfs/dbraw/zinc/40/42/69/584404269.db2.gz JFRSQONEUFEKLV-UPJWGTAASA-N 2 0 346.453 -0.817 20 0 EBADRP CN(CCCO)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867464528 584408889 /nfs/dbraw/zinc/40/88/89/584408889.db2.gz LUXYYAGGTHARHV-ZIAGYGMSSA-N 2 0 328.457 -0.975 20 0 EBADRP CC[NH+]1CCN(CCC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)CC1 ZINC000869779999 584441585 /nfs/dbraw/zinc/44/15/85/584441585.db2.gz BFCBHMDLNHHMGZ-HNNXBMFYSA-N 2 0 326.485 -0.025 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872189995 584458982 /nfs/dbraw/zinc/45/89/82/584458982.db2.gz LCIDSPIWHPJCRG-WMLDXEAASA-N 3 0 339.484 -0.994 20 0 EBADRP CN(CCCCCC[NH3+])C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000872194984 584459914 /nfs/dbraw/zinc/45/99/14/584459914.db2.gz HHUUODQZALACPG-UONOGXRCSA-N 2 0 326.441 -0.759 20 0 EBADRP COc1cncc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000873823553 584476373 /nfs/dbraw/zinc/47/63/73/584476373.db2.gz ZYRJBFBPQQJVDU-UHFFFAOYSA-N 2 0 337.424 -0.020 20 0 EBADRP COCCCCNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875067011 584488707 /nfs/dbraw/zinc/48/87/07/584488707.db2.gz GAOOZTMMPFPQMT-HUUCEWRRSA-N 2 0 342.484 -0.273 20 0 EBADRP C[C@@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C(=O)N(C)C ZINC000875095080 584489603 /nfs/dbraw/zinc/48/96/03/584489603.db2.gz DKWFTOYTFOTMJR-MGPQQGTHSA-N 2 0 327.473 -0.156 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[NH+]3C)C2)C1 ZINC000875182274 584492566 /nfs/dbraw/zinc/49/25/66/584492566.db2.gz JPZVZMKMWGWUOT-QLFBSQMISA-N 2 0 338.452 -0.624 20 0 EBADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000875236177 584494825 /nfs/dbraw/zinc/49/48/25/584494825.db2.gz BCBIJUAYJGPEHE-ZNMIVQPWSA-N 2 0 340.468 -0.006 20 0 EBADRP CNC(=O)C[C@H](C)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875648348 584504034 /nfs/dbraw/zinc/50/40/34/584504034.db2.gz YZDJMKFZINWBMF-BFHYXJOUSA-N 2 0 327.473 -0.108 20 0 EBADRP CON(C)C(=O)[C@H](C)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875891572 584507945 /nfs/dbraw/zinc/50/79/45/584507945.db2.gz GFYIMOLCEADADL-BFHYXJOUSA-N 2 0 343.472 -0.225 20 0 EBADRP COC[C@@]1(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C[NH2+]CCO1 ZINC000876713576 584520950 /nfs/dbraw/zinc/52/09/50/584520950.db2.gz RCGISGBDBAICDR-GDBMZVCRSA-N 2 0 329.441 -0.536 20 0 EBADRP COC[C@]1(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[NH2+]CCO1 ZINC000876763618 584522802 /nfs/dbraw/zinc/52/28/02/584522802.db2.gz GTIFSCSWAJVACD-YOEHRIQHSA-N 2 0 340.468 -0.724 20 0 EBADRP COC[C@@]1(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[NH2+]CCO1 ZINC000876763615 584522824 /nfs/dbraw/zinc/52/28/24/584522824.db2.gz GTIFSCSWAJVACD-RHSMWYFYSA-N 2 0 340.468 -0.724 20 0 EBADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000876769579 584523320 /nfs/dbraw/zinc/52/33/20/584523320.db2.gz UMXKZRHHWHBYHL-JYLMFQASSA-N 2 0 336.480 -0.079 20 0 EBADRP C[NH+](C)C[C@H](N)C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000876784171 584523943 /nfs/dbraw/zinc/52/39/43/584523943.db2.gz ZKJSMYYUAOFMEI-HNNXBMFYSA-N 2 0 349.483 -0.616 20 0 EBADRP COC[C@@]1(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C[NH2+]CCO1 ZINC000876980998 584527749 /nfs/dbraw/zinc/52/77/49/584527749.db2.gz LJAMOSQGZNLORV-GDBMZVCRSA-N 2 0 329.441 -0.439 20 0 EBADRP COC[C@@]1(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C[NH2+]CCO1 ZINC000877034012 584528629 /nfs/dbraw/zinc/52/86/29/584528629.db2.gz VBVNVDHPJXOBBS-QGZVFWFLSA-N 2 0 341.452 -0.295 20 0 EBADRP COC[C@]1(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C[NH2+]CCO1 ZINC000877144768 584529564 /nfs/dbraw/zinc/52/95/64/584529564.db2.gz VLSJAGVCCHYAGM-INMHGKMJSA-N 3 0 342.484 -0.811 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CN1CCCCS1(=O)=O ZINC000878969263 584546227 /nfs/dbraw/zinc/54/62/27/584546227.db2.gz PHXLQZRWXDSXIV-UHFFFAOYSA-N 2 0 334.486 -0.636 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CCN1c1cc[nH+]cc1 ZINC000883638435 584604108 /nfs/dbraw/zinc/60/41/08/584604108.db2.gz MJKSHFWQPKROKD-UONOGXRCSA-N 2 0 331.420 -0.074 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)N(C)CCOCC[NH3+])CCN1c1cc[nH+]cc1 ZINC000883642417 584604111 /nfs/dbraw/zinc/60/41/11/584604111.db2.gz LHBXLORZNAKTCN-CQSZACIVSA-N 2 0 349.435 -0.448 20 0 EBADRP CC[NH+](CC)CCN(C(=O)[C@H]([NH3+])CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000884305884 584621129 /nfs/dbraw/zinc/62/11/29/584621129.db2.gz LMODABCNDNQUIW-ZIAGYGMSSA-N 2 0 349.497 -0.292 20 0 EBADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884531934 584625769 /nfs/dbraw/zinc/62/57/69/584625769.db2.gz YMOGWEVHGDUTLY-QEJZJMRPSA-N 2 0 336.436 -0.824 20 0 EBADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884531935 584625776 /nfs/dbraw/zinc/62/57/76/584625776.db2.gz YMOGWEVHGDUTLY-SNPRPXQTSA-N 2 0 336.436 -0.824 20 0 EBADRP [NH3+][C@@H]1CCCCCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000884560127 584627323 /nfs/dbraw/zinc/62/73/23/584627323.db2.gz NZUKSEVICJLQIW-QLFBSQMISA-N 2 0 338.452 -0.304 20 0 EBADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000884640151 584631177 /nfs/dbraw/zinc/63/11/77/584631177.db2.gz VIBSPMIZFVGHDM-KBPBESRZSA-N 2 0 338.452 -0.304 20 0 EBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000884642964 584631359 /nfs/dbraw/zinc/63/13/59/584631359.db2.gz UEAHCLMUWTXNGN-ZIAGYGMSSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@@H](CNC(=O)C(=O)NCCC(C)(C)[NH3+])C[NH+]1CCN(C)CC1 ZINC000884669803 584632680 /nfs/dbraw/zinc/63/26/80/584632680.db2.gz HGESKOFTAXMCQR-ZDUSSCGKSA-N 2 0 327.473 -0.770 20 0 EBADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000884675243 584633096 /nfs/dbraw/zinc/63/30/96/584633096.db2.gz WZUWVIUYTMJCRL-CYBMUJFWSA-N 2 0 331.420 -0.013 20 0 EBADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000884688218 584634420 /nfs/dbraw/zinc/63/44/20/584634420.db2.gz WDZOYWKGIUGGMI-KBPBESRZSA-N 2 0 331.420 -0.013 20 0 EBADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884706327 584634976 /nfs/dbraw/zinc/63/49/76/584634976.db2.gz ZJQOIEVKUMYFEW-FQUUOJAGSA-N 2 0 338.452 -0.232 20 0 EBADRP C[C@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CCN1c1cc[nH+]cc1 ZINC000884706655 584635016 /nfs/dbraw/zinc/63/50/16/584635016.db2.gz KEILIPKOKNXVKK-SWLSCSKDSA-N 2 0 331.420 -0.028 20 0 EBADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000884726617 584636699 /nfs/dbraw/zinc/63/66/99/584636699.db2.gz XWGOSZZXSORHHC-DZGCQCFKSA-N 2 0 347.419 -0.777 20 0 EBADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000884787698 584637775 /nfs/dbraw/zinc/63/77/75/584637775.db2.gz ZCHRYERPAACLLM-VXGBXAGGSA-N 2 0 332.395 -0.052 20 0 EBADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000884815247 584638572 /nfs/dbraw/zinc/63/85/72/584638572.db2.gz NVFFLAHTXPDQHU-CQSZACIVSA-N 2 0 338.452 -0.432 20 0 EBADRP CC1(C)CC[C@H](CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[NH2+]C1 ZINC000884875357 584640095 /nfs/dbraw/zinc/64/00/95/584640095.db2.gz BUMQGVUNIBUPTH-HZSPNIEDSA-N 2 0 338.452 -0.842 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCCC(C)(C)[NH3+])CCO1 ZINC000885194717 584645569 /nfs/dbraw/zinc/64/55/69/584645569.db2.gz BVONYKQATKYULH-CYBMUJFWSA-N 2 0 328.457 -0.201 20 0 EBADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000887093383 584676580 /nfs/dbraw/zinc/67/65/80/584676580.db2.gz JERIVCLNZBSPSF-CQSZACIVSA-N 2 0 349.435 -0.448 20 0 EBADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000887093286 584676632 /nfs/dbraw/zinc/67/66/32/584676632.db2.gz GWFOVBZFLLHBAP-YDHLFZDLSA-N 2 0 329.404 -0.309 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)C1 ZINC000887620880 584679640 /nfs/dbraw/zinc/67/96/40/584679640.db2.gz UIZHUYGIYWIYMA-LBPRGKRZSA-N 2 0 331.424 -0.069 20 0 EBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@]2(F)CC[NH2+]C2)cn1 ZINC000178812376 649980150 /nfs/dbraw/zinc/98/01/50/649980150.db2.gz LGWFUZNRMSIBOV-AWEZNQCLSA-N 2 0 326.376 -0.799 20 0 EBADRP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC000904985036 650054861 /nfs/dbraw/zinc/05/48/61/650054861.db2.gz UXAWKGIWOPDTLF-UHFFFAOYSA-N 2 0 340.468 -0.232 20 0 EBADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000904990583 650055761 /nfs/dbraw/zinc/05/57/61/650055761.db2.gz PPJIFFXWMIRZFC-UONOGXRCSA-N 2 0 340.468 -0.513 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000904994501 650057070 /nfs/dbraw/zinc/05/70/70/650057070.db2.gz GYVBMRBWPSVZME-HUUCEWRRSA-N 2 0 336.436 -0.704 20 0 EBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2COC)C1 ZINC000905023725 650061222 /nfs/dbraw/zinc/06/12/22/650061222.db2.gz UQWIQXBUZVZFAY-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]C[C@@H]2COC)C1 ZINC000905023724 650061298 /nfs/dbraw/zinc/06/12/98/650061298.db2.gz UQWIQXBUZVZFAY-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]C[C@H](O)CN3CC[NH+](C)CC3)O2)CO1 ZINC000905483770 650063659 /nfs/dbraw/zinc/06/36/59/650063659.db2.gz GGWZKFKXNJYBFG-LTIDMASMSA-N 2 0 327.469 -0.089 20 0 EBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)n1 ZINC000906764528 650071434 /nfs/dbraw/zinc/07/14/34/650071434.db2.gz CUONFUQYINLKEV-MRXNPFEDSA-N 2 0 334.424 -0.262 20 0 EBADRP COC(=O)[C@H]1CN(C(=O)C[C@]2(O)CCC[NH+](C)C2)CC[N@H+](C)C1 ZINC000910413378 650110773 /nfs/dbraw/zinc/11/07/73/650110773.db2.gz NIPWQXQCYKBRPE-CZUORRHYSA-N 2 0 327.425 -0.604 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCn2cccc2C1 ZINC000910614378 650116573 /nfs/dbraw/zinc/11/65/73/650116573.db2.gz WDMJXYZINYTTCB-UHFFFAOYSA-N 2 0 335.452 -0.218 20 0 EBADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000910954594 650142031 /nfs/dbraw/zinc/14/20/31/650142031.db2.gz BICFEOWQYSIRAD-MRXNPFEDSA-N 2 0 326.441 -0.712 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000910954282 650142061 /nfs/dbraw/zinc/14/20/61/650142061.db2.gz YRQUKBYKJOHFHA-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000910963636 650142397 /nfs/dbraw/zinc/14/23/97/650142397.db2.gz SQYPNBZGEVVHAK-FVQBIDKESA-N 2 0 332.448 0.000 20 0 EBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)C2)CC1 ZINC000911035665 650147317 /nfs/dbraw/zinc/14/73/17/650147317.db2.gz SZIGKERTKWYJFW-SJXGUFTOSA-N 2 0 349.479 -0.720 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CCCO1 ZINC000910985165 650143496 /nfs/dbraw/zinc/14/34/96/650143496.db2.gz SXXWIXZECBNYLO-KBPBESRZSA-N 2 0 326.441 -0.447 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C[C@H]1C[NH3+] ZINC000910983594 650143561 /nfs/dbraw/zinc/14/35/61/650143561.db2.gz IKIYJSPYUHTJKK-RBSFLKMASA-N 2 0 340.468 -0.343 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000910992643 650144308 /nfs/dbraw/zinc/14/43/08/650144308.db2.gz NRWPJSICNZQRFR-QLFBSQMISA-N 2 0 340.468 -0.569 20 0 EBADRP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2COC)CC1 ZINC000911005296 650144541 /nfs/dbraw/zinc/14/45/41/650144541.db2.gz ZSTLPBIHHZHCPL-CQSZACIVSA-N 2 0 326.441 -0.719 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@]32C[NH3+])CC1 ZINC000911005287 650144659 /nfs/dbraw/zinc/14/46/59/650144659.db2.gz ZOABRYFGHKKBLT-DYVFJYSZSA-N 2 0 338.452 -0.447 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC000911005289 650144779 /nfs/dbraw/zinc/14/47/79/650144779.db2.gz ZOABRYFGHKKBLT-SUMWQHHRSA-N 2 0 338.452 -0.447 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000911013932 650145663 /nfs/dbraw/zinc/14/56/63/650145663.db2.gz FPEHMVPWCIUHIF-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@H+](CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1)C1CC1 ZINC000911052841 650148181 /nfs/dbraw/zinc/14/81/81/650148181.db2.gz ISGRXIQFSLBAJX-QWRGUYRKSA-N 2 0 336.358 -0.065 20 0 EBADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000911056686 650148527 /nfs/dbraw/zinc/14/85/27/650148527.db2.gz YRXUEQIHSHRTIZ-AWEZNQCLSA-N 2 0 340.468 -0.057 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000911076531 650149042 /nfs/dbraw/zinc/14/90/42/650149042.db2.gz ADGYVLTVVRVIQX-RRFJBIMHSA-N 2 0 340.468 -0.188 20 0 EBADRP C[C@H](CNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)[NH+]1CCC(C)CC1 ZINC000911091773 650150549 /nfs/dbraw/zinc/15/05/49/650150549.db2.gz PUGPZCQCFACYHW-PBHICJAKSA-N 2 0 340.468 -0.465 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C[C@H]1[NH3+] ZINC000911101804 650151879 /nfs/dbraw/zinc/15/18/79/650151879.db2.gz ODPWIKHVXQTEKL-CZUORRHYSA-N 2 0 345.447 -0.032 20 0 EBADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000911145669 650153926 /nfs/dbraw/zinc/15/39/26/650153926.db2.gz GUNUXZUXQQDTJC-JSGCOSHPSA-N 2 0 338.452 -0.448 20 0 EBADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000911148442 650154206 /nfs/dbraw/zinc/15/42/06/650154206.db2.gz OILIPVQMGOISRT-RRFJBIMHSA-N 2 0 338.452 -0.434 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000911148281 650154379 /nfs/dbraw/zinc/15/43/79/650154379.db2.gz WEEDBZIKNUDNDY-UMVBOHGHSA-N 2 0 338.452 -0.435 20 0 EBADRP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000911146920 650154480 /nfs/dbraw/zinc/15/44/80/650154480.db2.gz CXYYABJJUILUME-UMPJEAMMSA-N 2 0 336.436 -0.694 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000911149560 650155092 /nfs/dbraw/zinc/15/50/92/650155092.db2.gz XOKWKBCKAJCRKP-TUVASFSCSA-N 2 0 338.452 -0.672 20 0 EBADRP C[C@H](NC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1)[C@@H]1CN(C)CCO1 ZINC000911161332 650155399 /nfs/dbraw/zinc/15/53/99/650155399.db2.gz HWTSIKHZMWTGGK-MJBXVCDLSA-N 2 0 326.441 -0.530 20 0 EBADRP C[NH+](C)CC1CCC(NC(=O)C(=O)N2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000911185672 650157562 /nfs/dbraw/zinc/15/75/62/650157562.db2.gz BLBCRLSNMIWQKW-KVULBXGLSA-N 2 0 340.468 -0.465 20 0 EBADRP CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC000911182994 650157896 /nfs/dbraw/zinc/15/78/96/650157896.db2.gz HKGAFWIZGPTSGK-CYBMUJFWSA-N 2 0 326.441 -0.671 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000911200011 650158989 /nfs/dbraw/zinc/15/89/89/650158989.db2.gz NWJBPBRMYQRFBT-STQMWFEESA-N 2 0 328.457 -0.474 20 0 EBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CCSC1 ZINC000911199064 650159045 /nfs/dbraw/zinc/15/90/45/650159045.db2.gz JSPPYIZGHNFUNY-CVEARBPZSA-N 2 0 340.493 -0.106 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC[C@H]1C[NH3+] ZINC000911198116 650159077 /nfs/dbraw/zinc/15/90/77/650159077.db2.gz GAPAHKFJSRQUPA-DVOMOZLQSA-N 2 0 342.509 -0.017 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000911214592 650160068 /nfs/dbraw/zinc/16/00/68/650160068.db2.gz IHPHQTHFOAQKAG-UKRRQHHQSA-N 2 0 338.452 -0.576 20 0 EBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000911231301 650161328 /nfs/dbraw/zinc/16/13/28/650161328.db2.gz LWEWYCKVGYFDRL-XJKSGUPXSA-N 2 0 326.441 -0.589 20 0 EBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCCN1CCC([NH3+])CC1 ZINC000911162425 650156082 /nfs/dbraw/zinc/15/60/82/650156082.db2.gz RIQAJKJFAVIXPT-AWEZNQCLSA-N 2 0 339.484 -0.484 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000911242494 650162381 /nfs/dbraw/zinc/16/23/81/650162381.db2.gz ISTLPUALHLIKDI-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H](CCNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)[NH+]1CCCCC1 ZINC000911242881 650162506 /nfs/dbraw/zinc/16/25/06/650162506.db2.gz KXQSBEWBJUNNBG-YOEHRIQHSA-N 2 0 340.468 -0.321 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NCCCN2CCOCC2)CC[C@H]1C[NH3+] ZINC000911247206 650162965 /nfs/dbraw/zinc/16/29/65/650162965.db2.gz NGIIIRCEQATNJM-KGLIPLIRSA-N 2 0 326.441 -0.732 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000911258083 650163921 /nfs/dbraw/zinc/16/39/21/650163921.db2.gz MNWUTPWVQHWVLD-ZIAGYGMSSA-N 2 0 340.468 -0.330 20 0 EBADRP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000911265770 650164119 /nfs/dbraw/zinc/16/41/19/650164119.db2.gz DQBHOBBOEWSDOT-HOTGVXAUSA-N 2 0 348.447 -0.148 20 0 EBADRP C[C@@H](CNC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1)C[NH+]1CCCC1 ZINC000911270305 650164910 /nfs/dbraw/zinc/16/49/10/650164910.db2.gz VLTOJXPYFKQCHR-AWEZNQCLSA-N 2 0 340.468 -0.199 20 0 EBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000911270534 650165030 /nfs/dbraw/zinc/16/50/30/650165030.db2.gz YJFHUKLDECHGHE-RBSFLKMASA-N 2 0 339.484 -0.818 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)C[NH+](C)C ZINC000911278291 650165697 /nfs/dbraw/zinc/16/56/97/650165697.db2.gz ZHYWXTKECCXXQC-MELADBBJSA-N 2 0 328.457 -0.426 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)C[NH+](C)C ZINC000911299801 650167901 /nfs/dbraw/zinc/16/79/01/650167901.db2.gz ZUIKHBGHZQYWLW-CZUORRHYSA-N 2 0 328.457 -0.425 20 0 EBADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000911299013 650167670 /nfs/dbraw/zinc/16/76/70/650167670.db2.gz QLDATBRXITUJFM-ZIAGYGMSSA-N 2 0 340.468 -0.322 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000911307628 650169048 /nfs/dbraw/zinc/16/90/48/650169048.db2.gz WWTLSFPAQLQFIS-RDBSUJKOSA-N 2 0 326.441 -0.842 20 0 EBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C[C@]2(C)C1 ZINC000911317488 650170748 /nfs/dbraw/zinc/17/07/48/650170748.db2.gz VXCAWBCPFVJJRZ-VTWRMFPLSA-N 2 0 334.464 -0.099 20 0 EBADRP [NH3+][C@]1(CO)CCCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000911324955 650171065 /nfs/dbraw/zinc/17/10/65/650171065.db2.gz NPXWYONDPXZWTG-CKEIUWERSA-N 2 0 338.452 -0.568 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)C[NH+](C)C ZINC000911357334 650174193 /nfs/dbraw/zinc/17/41/93/650174193.db2.gz PMYIYOZATVVRHD-ZIAGYGMSSA-N 2 0 342.484 -0.036 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)C[NH+](C)C ZINC000911392733 650178388 /nfs/dbraw/zinc/17/83/88/650178388.db2.gz SFKFYIYVKKTUPA-MCIONIFRSA-N 2 0 328.457 -0.569 20 0 EBADRP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000911402696 650178855 /nfs/dbraw/zinc/17/88/55/650178855.db2.gz INWBENQEOVGJSS-CQSZACIVSA-N 2 0 335.408 -0.789 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])C[NH+](C)C ZINC000911433934 650183506 /nfs/dbraw/zinc/18/35/06/650183506.db2.gz FJWFYTLHWTVPEZ-FVQBIDKESA-N 2 0 348.447 -0.190 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+])C[NH+](C)C ZINC000911433992 650183550 /nfs/dbraw/zinc/18/35/50/650183550.db2.gz GTKWVZCREDTQOR-MCIONIFRSA-N 2 0 328.457 -0.202 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH2+]C)C[NH+](C)C ZINC000911434792 650183551 /nfs/dbraw/zinc/18/35/51/650183551.db2.gz JETBLXBAWXWZAL-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP CC1([NH+]2CCC2)CCC(NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000911453884 650185027 /nfs/dbraw/zinc/18/50/27/650185027.db2.gz FNTKJBALMHKNJK-XOYHFGRZSA-N 2 0 338.452 -0.304 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)C[NH+](C)C ZINC000911435425 650183751 /nfs/dbraw/zinc/18/37/51/650183751.db2.gz MOGMBMWEFKXBOR-IZGVIRRGSA-N 2 0 340.468 -0.189 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)C[NH+](C)C ZINC000911435836 650184022 /nfs/dbraw/zinc/18/40/22/650184022.db2.gz PZMINJYDZPSVDS-KBPBESRZSA-N 2 0 328.457 -0.343 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C(C)C)C[NH+](C)C ZINC000911437186 650184341 /nfs/dbraw/zinc/18/43/41/650184341.db2.gz ZMUZTAWJCJMPRG-KGLIPLIRSA-N 2 0 328.457 -0.474 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)CCO1 ZINC000911532230 650191047 /nfs/dbraw/zinc/19/10/47/650191047.db2.gz KRWJBTWRFWMUPI-STQMWFEESA-N 2 0 326.441 -0.591 20 0 EBADRP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CCO1 ZINC000911551027 650193142 /nfs/dbraw/zinc/19/31/42/650193142.db2.gz GMXLEQDXKZQCFP-CBBWQLFWSA-N 2 0 338.452 -0.435 20 0 EBADRP O=C(NCC1(NC(=O)C23CC[NH+](CC2)C3)COC1)C12CC[NH+](CC1)C2 ZINC000913492128 650235968 /nfs/dbraw/zinc/23/59/68/650235968.db2.gz COYFCVMWLKLUSI-UHFFFAOYSA-N 2 0 348.447 -0.821 20 0 EBADRP CCO[C@H](CNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)C[NH+](C)C ZINC000917224089 650281156 /nfs/dbraw/zinc/28/11/56/650281156.db2.gz PXBUKANOINVZTM-LSDHHAIUSA-N 2 0 329.489 -0.112 20 0 EBADRP C[NH+](C)C1(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000919517956 650302604 /nfs/dbraw/zinc/30/26/04/650302604.db2.gz VXENNBFMVHTDJD-CYBMUJFWSA-N 2 0 325.457 -0.033 20 0 EBADRP C[N@H+](CCNC(=O)C1C[NH+](C2CCOCC2)C1)CCOCCO ZINC000922108239 650328849 /nfs/dbraw/zinc/32/88/49/650328849.db2.gz DFNSYAHJPVMYFE-UHFFFAOYSA-N 2 0 329.441 -0.846 20 0 EBADRP C[NH+](C)CCOc1ccc(CNS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000923590860 650345409 /nfs/dbraw/zinc/34/54/09/650345409.db2.gz GMHUBHGDHHCDLO-UHFFFAOYSA-N 2 0 342.465 -0.133 20 0 EBADRP C[NH+]1CCN(C[C@@H]2CN(S(=O)(=O)[C@H]3CCC[NH2+]C3)CCO2)CC1 ZINC000923608150 650347303 /nfs/dbraw/zinc/34/73/03/650347303.db2.gz OECFDRUOTMWSKT-CABCVRRESA-N 2 0 346.497 -0.984 20 0 EBADRP C[NH+]1CCN(C[C@H]2CN(S(=O)(=O)[C@@H]3CCC[NH2+]C3)CCO2)CC1 ZINC000923608171 650347581 /nfs/dbraw/zinc/34/75/81/650347581.db2.gz OECFDRUOTMWSKT-LSDHHAIUSA-N 2 0 346.497 -0.984 20 0 EBADRP [NH3+]C[C@@H]1Cc2cc(F)ccc2N(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923678305 650352030 /nfs/dbraw/zinc/35/20/30/650352030.db2.gz WEJUUVXKRNMBPW-NSHDSACASA-N 2 0 328.413 -0.087 20 0 EBADRP C[NH+](C)C[C@H]1NC(=O)N(Cc2ccnc(N3CC[NH+](C)CC3)c2)C1=O ZINC000924464412 650362696 /nfs/dbraw/zinc/36/26/96/650362696.db2.gz CZPMPFRPCMJNEW-CQSZACIVSA-N 2 0 346.435 -0.185 20 0 EBADRP C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000925169754 650373538 /nfs/dbraw/zinc/37/35/38/650373538.db2.gz KOGOLZUQYSIAGZ-SYQHCUMBSA-N 2 0 328.482 -0.070 20 0 EBADRP C[N@@H+]1C[C@@H](O)C[C@@H]1CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000924985069 650370846 /nfs/dbraw/zinc/37/08/46/650370846.db2.gz GBOSMEBPYTWBLP-CABCVRRESA-N 2 0 333.436 -0.372 20 0 EBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926340930 650387368 /nfs/dbraw/zinc/38/73/68/650387368.db2.gz APZSGDSFDQLMNY-HNNXBMFYSA-N 2 0 339.484 -0.659 20 0 EBADRP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000926339181 650387596 /nfs/dbraw/zinc/38/75/96/650387596.db2.gz DDIVEHFVSTXDES-GJZGRUSLSA-N 2 0 337.468 -0.907 20 0 EBADRP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000926315829 650385447 /nfs/dbraw/zinc/38/54/47/650385447.db2.gz QJRHRYOIIKSQGB-QGZVFWFLSA-N 2 0 340.468 -0.511 20 0 EBADRP [NH3+][C@@]1(CO)CCCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000926308438 650385531 /nfs/dbraw/zinc/38/55/31/650385531.db2.gz GHTLDZSRGMTIEL-YOEHRIQHSA-N 2 0 338.452 -0.615 20 0 EBADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000926347223 650388199 /nfs/dbraw/zinc/38/81/99/650388199.db2.gz DTYSJQQCDKTOLO-JJXSEGSLSA-N 2 0 334.464 -0.003 20 0 EBADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)C1 ZINC000926350966 650388298 /nfs/dbraw/zinc/38/82/98/650388298.db2.gz IAOWXEBKWHKCQV-HNNXBMFYSA-N 2 0 339.484 -0.802 20 0 EBADRP O=C(C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000926385866 650390129 /nfs/dbraw/zinc/39/01/29/650390129.db2.gz AENNTKOMSWSJAN-JJRVBVJISA-N 2 0 336.436 -0.992 20 0 EBADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H](CC[NH3+])C2)CCO1 ZINC000926389165 650390773 /nfs/dbraw/zinc/39/07/73/650390773.db2.gz VHCXABRZIOFUAA-LSDHHAIUSA-N 2 0 340.468 -0.247 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[C@@H]1C[NH3+] ZINC000927890024 651511548 /nfs/dbraw/zinc/51/15/48/651511548.db2.gz DVKLYLQOWDSKGG-CHWSQXEVSA-N 2 0 336.440 -0.174 20 0 EBADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000929090608 651531551 /nfs/dbraw/zinc/53/15/51/651531551.db2.gz JSDNDEVEFJGULI-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000929748794 651563324 /nfs/dbraw/zinc/56/33/24/651563324.db2.gz CGSAWYQSEXWVHR-ILXRZTDVSA-N 2 0 340.468 -0.500 20 0 EBADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000929748797 651563470 /nfs/dbraw/zinc/56/34/70/651563470.db2.gz CGSAWYQSEXWVHR-RBSFLKMASA-N 2 0 340.468 -0.500 20 0 EBADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[NH+](CC4CC4)C3)C[C@]2(C)C1 ZINC000929992406 651574649 /nfs/dbraw/zinc/57/46/49/651574649.db2.gz QQGJKPJVYQKENR-RKVPGOIHSA-N 2 0 334.464 -0.003 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)C[NH+](C)C ZINC000930490989 651598501 /nfs/dbraw/zinc/59/85/01/651598501.db2.gz KAEQNJPXNVAJCA-NWANDNLSSA-N 2 0 340.468 -0.332 20 0 EBADRP C[C@H](O)[C@H](O)C[NH+]1CCC[C@@]2(CCC[N@@H+](C[C@H](O)[C@H](C)O)C2)C1 ZINC000930512846 651600679 /nfs/dbraw/zinc/60/06/79/651600679.db2.gz XBTLHEKZAUZYFE-SMLCLMEVSA-N 2 0 330.469 -0.352 20 0 EBADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C[NH+](C)C)OCC)C1 ZINC000931018008 651619729 /nfs/dbraw/zinc/61/97/29/651619729.db2.gz KLEINPNTJPRFJX-KBPBESRZSA-N 2 0 328.457 -0.330 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)C[NH+](C)C ZINC000932467271 651682101 /nfs/dbraw/zinc/68/21/01/651682101.db2.gz IRWYUGSJVXJVCA-RRFJBIMHSA-N 2 0 342.484 -0.132 20 0 EBADRP CCO[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C)C[NH+](C)C ZINC000932469225 651683023 /nfs/dbraw/zinc/68/30/23/651683023.db2.gz NADSQMHNGRXWFO-KGLIPLIRSA-N 2 0 328.457 -0.378 20 0 EBADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC000939064639 652822043 /nfs/dbraw/zinc/82/20/43/652822043.db2.gz ZZMIOEOMEXFVAN-UKRRQHHQSA-N 2 0 337.468 -0.210 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)C1 ZINC000944598959 652900095 /nfs/dbraw/zinc/90/00/95/652900095.db2.gz DVTMCDKZVSFASF-CABCVRRESA-N 2 0 338.452 -0.623 20 0 EBADRP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941867638 652935513 /nfs/dbraw/zinc/93/55/13/652935513.db2.gz RXJYSHNVPXBTLH-RBSFLKMASA-N 2 0 338.452 -0.624 20 0 EBADRP CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]2C1 ZINC000946861389 653251730 /nfs/dbraw/zinc/25/17/30/653251730.db2.gz JSLLRKPGHDGWLJ-GASCZTMLSA-N 2 0 334.464 -0.001 20 0 EBADRP CC[C@H](C(=O)N1CCC(O)(C[NH2+][C@H]2CCCNC2=O)CC1)[NH+](C)C ZINC000946924701 653270570 /nfs/dbraw/zinc/27/05/70/653270570.db2.gz JGVWEFGVNPIMOU-UONOGXRCSA-N 2 0 340.468 -0.452 20 0 EBADRP CC[C@@H](C(=O)N1CCOC2(CC[NH+]([C@@H](C)C(N)=O)CC2)C1)[NH+](C)C ZINC000949191929 653826928 /nfs/dbraw/zinc/82/69/28/653826928.db2.gz ZWQBCBFCOKLHJM-KBPBESRZSA-N 2 0 340.468 -0.106 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC2(CC1)C[NH+](CCO)CCO2 ZINC000949470748 653901245 /nfs/dbraw/zinc/90/12/45/653901245.db2.gz IXIMOVPLEWPNKT-HUUCEWRRSA-N 2 0 325.453 -0.130 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC3(C2)CC([NH2+][C@@H]2CCC(=O)NC2=O)C3)C1 ZINC000965915038 724539350 /nfs/dbraw/zinc/53/93/50/724539350.db2.gz CARLFEPLNBZQPO-KEHXGHJKSA-N 2 0 348.447 -0.240 20 0 EBADRP O=C(NC[C@@H]1C[N@@H+](CCn2cncn2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC000958214906 722328574 /nfs/dbraw/zinc/32/85/74/722328574.db2.gz OJMKLAMVNZHZIZ-CABCVRRESA-N 2 0 348.451 -0.685 20 0 EBADRP C[NH+](C)CCc1ccccc1C(=O)NC[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC000958282822 722337069 /nfs/dbraw/zinc/33/70/69/722337069.db2.gz AJTSHCPYFCEKMN-RDJZCZTQSA-N 2 0 335.448 -0.195 20 0 EBADRP Cc1oncc1C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958592768 722397641 /nfs/dbraw/zinc/39/76/41/722397641.db2.gz VTNWXAUDVUHTLW-HUUCEWRRSA-N 2 0 334.420 -0.012 20 0 EBADRP C[NH+](C)C1(C(=O)N2CC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)CCC1 ZINC001018962703 728757183 /nfs/dbraw/zinc/75/71/83/728757183.db2.gz JIFYERMFJIEVAU-LBPRGKRZSA-N 2 0 337.424 -0.787 20 0 EBADRP CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000959954082 722777560 /nfs/dbraw/zinc/77/75/60/722777560.db2.gz OQEVWNSQXBVLCO-CXTNEJHOSA-N 2 0 348.451 -0.761 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)C1 ZINC000961601473 723043940 /nfs/dbraw/zinc/04/39/40/723043940.db2.gz XKLOWXYDRXPRPB-OAGGEKHMSA-N 2 0 334.464 -0.049 20 0 EBADRP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000961616597 723046417 /nfs/dbraw/zinc/04/64/17/723046417.db2.gz MSRDEDBAVSLFTR-RQJABVFESA-N 2 0 332.404 -0.110 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCCC4)C[C@H]32)C1 ZINC000961767383 723076123 /nfs/dbraw/zinc/07/61/23/723076123.db2.gz WZZLZWVMLJLFKP-BSXFFOKHSA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1[C@H]2C[NH+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC000961777323 723079008 /nfs/dbraw/zinc/07/90/08/723079008.db2.gz YYJAMTHHJSMVSW-BCUIYNNISA-N 2 0 349.435 -0.931 20 0 EBADRP CC1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCC(=O)NC4=O)C[C@H]32)CC1 ZINC000962144072 723179353 /nfs/dbraw/zinc/17/93/53/723179353.db2.gz VZHFTRXHLZOKDD-OEUWWYETSA-N 2 0 348.447 -0.430 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[NH+](CCN4C(=O)CCC4=O)C[C@H]32)C1 ZINC000962308120 723223289 /nfs/dbraw/zinc/22/32/89/723223289.db2.gz NQZREXLUMXPOFT-ZXTQRBJTSA-N 2 0 348.447 -0.476 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)N4CCCCC4)C[C@H]32)C1 ZINC000962553105 723283128 /nfs/dbraw/zinc/28/31/28/723283128.db2.gz KTMYLVDRLISOBG-LJIGWXMPSA-N 2 0 334.464 -0.003 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC2CC(C[NH2+]Cc3nnc4n3CCOC4)C2)C1 ZINC000962712582 723310531 /nfs/dbraw/zinc/31/05/31/723310531.db2.gz UYSSCVRXVBWPEX-MOKVOYLWSA-N 2 0 348.451 -0.256 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCCN1C(=O)C[NH+]1CCCC1 ZINC000964128055 723824865 /nfs/dbraw/zinc/82/48/65/723824865.db2.gz LVHVLFMPZILKQZ-CABCVRRESA-N 2 0 338.452 -0.480 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001019380984 728875264 /nfs/dbraw/zinc/87/52/64/728875264.db2.gz UYTZTUPKOFKAOH-CABCVRRESA-N 2 0 338.452 -0.480 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCC3)C2)cn1 ZINC001019495699 728900750 /nfs/dbraw/zinc/90/07/50/728900750.db2.gz BFSVZVNJSRFLNS-HNNXBMFYSA-N 2 0 348.451 -0.519 20 0 EBADRP C[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000968549555 725079969 /nfs/dbraw/zinc/07/99/69/725079969.db2.gz UAQOFMHZHMQJDX-GJZGRUSLSA-N 2 0 349.479 -0.066 20 0 EBADRP C[N@H+](CC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1)C1CCC1 ZINC000968921661 725128815 /nfs/dbraw/zinc/12/88/15/725128815.db2.gz DPDHURDEELELMN-GFCCVEGCSA-N 2 0 337.424 -0.787 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CC[C@H]([NH2+]CCn3cncn3)C2)CC1 ZINC001019576466 728926129 /nfs/dbraw/zinc/92/61/29/728926129.db2.gz XQDXPOJBOBOVTG-AWEZNQCLSA-N 2 0 336.440 -0.421 20 0 EBADRP CCN1CCO[C@@H](C(=O)NC[C@@H]2CCCCCN2CC(=O)NC)C1 ZINC000969153399 725156924 /nfs/dbraw/zinc/15/69/24/725156924.db2.gz GUYUMRDEVUSAPO-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CCO1 ZINC000969595347 725196017 /nfs/dbraw/zinc/19/60/17/725196017.db2.gz WLGBERYMBXHUHJ-RRFJBIMHSA-N 2 0 338.452 -0.482 20 0 EBADRP CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)[NH+](C)C ZINC000969844350 725222432 /nfs/dbraw/zinc/22/24/32/725222432.db2.gz IXPTVKYDPFDZCJ-CZUORRHYSA-N 2 0 338.452 -0.088 20 0 EBADRP CC[C@H]([NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1)C(N)=O ZINC000970355829 725282209 /nfs/dbraw/zinc/28/22/09/725282209.db2.gz PWANOPRFCUXUQM-OCCSQVGLSA-N 2 0 326.441 -0.448 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cc2c[nH]cn2)[C@@H](O)C1 ZINC000970956046 725345153 /nfs/dbraw/zinc/34/51/53/725345153.db2.gz ARCQWTGCYIOCEB-ILXRZTDVSA-N 2 0 349.435 -0.486 20 0 EBADRP CC[C@H](C(N)=O)[N@H+](C)[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000972626836 725564718 /nfs/dbraw/zinc/56/47/18/725564718.db2.gz BMNJXQZFWPFXAY-DZGCQCFKSA-N 2 0 340.468 -0.106 20 0 EBADRP C[N@H+]([C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1)[C@H]1CCNC1=O ZINC000972629291 725565398 /nfs/dbraw/zinc/56/53/98/725565398.db2.gz UMQGTEXXXAZPNF-ZFWWWQNUSA-N 2 0 338.452 -0.482 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000991724669 725578749 /nfs/dbraw/zinc/57/87/49/725578749.db2.gz WDSAPVIYILDYNV-KGLIPLIRSA-N 2 0 338.452 -0.767 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC2CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000992061342 725712666 /nfs/dbraw/zinc/71/26/66/725712666.db2.gz YDJRXKPDYIXORW-OAHLLOKOSA-N 2 0 348.451 -0.521 20 0 EBADRP O=C(Cc1ncc[nH]1)N1CC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000993573675 725907671 /nfs/dbraw/zinc/90/76/71/725907671.db2.gz ZXRAIDKNRGWFMC-OLZOCXBDSA-N 2 0 333.392 -0.858 20 0 EBADRP Cn1nncc1C[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001051697195 735332685 /nfs/dbraw/zinc/33/26/85/735332685.db2.gz AGDSUEMRBRMJSA-HNNXBMFYSA-N 2 0 348.451 -0.240 20 0 EBADRP C[NH+]1CCC(C(=O)NC2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC000994923280 726117670 /nfs/dbraw/zinc/11/76/70/726117670.db2.gz GXCHSOOLUUXXPS-INIZCTEOSA-N 2 0 334.464 -0.003 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@@H]4CCCC[NH+]4C)C[C@H]32)C1 ZINC000976532076 726336872 /nfs/dbraw/zinc/33/68/72/726336872.db2.gz JNICSZRMLRQZFW-ARKGTOAJSA-N 2 0 334.464 -0.005 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC1(C)C)C(N)=O ZINC000996473684 726402220 /nfs/dbraw/zinc/40/22/20/726402220.db2.gz VWEYRIBKDFXTKB-TZMCWYRMSA-N 2 0 340.468 -0.202 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCN3CCNC3=O)C(C)(C)C2)C1 ZINC000996617640 726420055 /nfs/dbraw/zinc/42/00/55/726420055.db2.gz VRIOHIVFENEXQG-UONOGXRCSA-N 2 0 337.468 -0.210 20 0 EBADRP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC000996613593 726420086 /nfs/dbraw/zinc/42/00/86/726420086.db2.gz WCKPBYOCHVNQBJ-CHWSQXEVSA-N 2 0 336.436 -0.286 20 0 EBADRP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC000996613595 726420122 /nfs/dbraw/zinc/42/01/22/726420122.db2.gz WCKPBYOCHVNQBJ-OLZOCXBDSA-N 2 0 336.436 -0.286 20 0 EBADRP O=C([C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC([NH2+]CCn2cncn2)CC1 ZINC000996621204 726420344 /nfs/dbraw/zinc/42/03/44/726420344.db2.gz QHVAXQYLNCYCNB-HZPDHXFCSA-N 2 0 348.451 -0.278 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CCC([NH2+][C@H]2CCC(=O)NC2=O)CC1)C1CC1 ZINC000996681250 726422069 /nfs/dbraw/zinc/42/20/69/726422069.db2.gz YMLUTOKNRZBGGS-ZFWWWQNUSA-N 2 0 336.436 -0.288 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCC([NH2+]CCN3CCNC3=O)CC2)CC1 ZINC000996957456 726433863 /nfs/dbraw/zinc/43/38/63/726433863.db2.gz ZVPODDBWJSZGIC-UHFFFAOYSA-N 2 0 337.468 -0.066 20 0 EBADRP CC[C@@H](C(=O)N1CCC([NH2+]CC(=O)N2CCOCC2)CC1)[NH+](C)C ZINC000997009869 726434705 /nfs/dbraw/zinc/43/47/05/726434705.db2.gz OZKLXQDIGDQPEI-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CCC([NH2+][C@H]3CCNC3=O)CC2)CC1 ZINC000997125407 726439328 /nfs/dbraw/zinc/43/93/28/726439328.db2.gz GSHPVEZYVKBYSB-HNNXBMFYSA-N 2 0 338.452 -0.434 20 0 EBADRP Cn1[nH]c(C[NH2+]C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)nc1=O ZINC000997181966 726440280 /nfs/dbraw/zinc/44/02/80/726440280.db2.gz FAUHSEUSUATXCJ-GFCCVEGCSA-N 2 0 336.440 -0.469 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCC([NH2+]Cc2nnc3n2CCOC3)CC1 ZINC000997308057 726445596 /nfs/dbraw/zinc/44/55/96/726445596.db2.gz YVFAYGHXJZAYDZ-UHFFFAOYSA-N 2 0 348.451 -0.015 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000997314421 726445958 /nfs/dbraw/zinc/44/59/58/726445958.db2.gz YBRWSCWODYVSJH-HIFRSBDPSA-N 2 0 338.452 -0.576 20 0 EBADRP O=C(N1CCC(C[NH2+][C@@H]2CCC(=O)NC2=O)CC1)C12CC[NH+](CC1)C2 ZINC000998221860 726481367 /nfs/dbraw/zinc/48/13/67/726481367.db2.gz IRDAKKWDWXAXGI-CQSZACIVSA-N 2 0 348.447 -0.284 20 0 EBADRP Cn1[nH]c(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)nc1=O ZINC000998275338 726483263 /nfs/dbraw/zinc/48/32/63/726483263.db2.gz YORFNBFRORTDPA-ZDUSSCGKSA-N 2 0 336.440 -0.612 20 0 EBADRP NC(=O)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C(F)(F)F ZINC000998304911 726484277 /nfs/dbraw/zinc/48/42/77/726484277.db2.gz PQGMVTXTUNSDLI-GHMZBOCLSA-N 2 0 348.369 -0.064 20 0 EBADRP C[C@H]([NH2+]C1CC(N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1)C(N)=O ZINC000998785248 726497948 /nfs/dbraw/zinc/49/79/48/726497948.db2.gz LHBDNEPLTNNMAP-HIFPTAJRSA-N 2 0 336.440 -0.489 20 0 EBADRP O=C(NCc1cn([C@@H]2CC[N@@H+](CCCO)C2)nn1)C12CC[NH+](CC1)C2 ZINC001000033253 726551899 /nfs/dbraw/zinc/55/18/99/726551899.db2.gz CLEKZNKEPKEQBT-OAHLLOKOSA-N 2 0 348.451 -0.381 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001000192721 726558175 /nfs/dbraw/zinc/55/81/75/726558175.db2.gz NAWJGWSSMJCKDH-CABCVRRESA-N 2 0 337.468 -0.066 20 0 EBADRP O=C(N1CCC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001000704403 726575711 /nfs/dbraw/zinc/57/57/11/726575711.db2.gz XLKSORVBTJSCOK-QWHCGFSZSA-N 2 0 334.420 -0.532 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)C1 ZINC001000922538 726584027 /nfs/dbraw/zinc/58/40/27/726584027.db2.gz BQSXPYNFCRSGLC-OLZOCXBDSA-N 2 0 337.424 -0.930 20 0 EBADRP CCN1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001000968669 726585555 /nfs/dbraw/zinc/58/55/55/726585555.db2.gz KMUXFMBEJANBEY-HUUCEWRRSA-N 2 0 338.452 -0.480 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCC2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001001994201 726629264 /nfs/dbraw/zinc/62/92/64/726629264.db2.gz KRTPOBJMIZAJRQ-JKSUJKDBSA-N 2 0 334.464 -0.146 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](CCN2CCNC2=O)CC1 ZINC001003633709 726682878 /nfs/dbraw/zinc/68/28/78/726682878.db2.gz HGZUCXKLEFNEOV-UKRRQHHQSA-N 2 0 337.468 -0.210 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](CCN3CCNC3=O)C2)CC[N@@H+]1C ZINC001007371094 726792889 /nfs/dbraw/zinc/79/28/89/726792889.db2.gz DCVQCDAJLJFKGX-QLFBSQMISA-N 2 0 337.468 -0.068 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCO[C@@H](C[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001051931424 735469391 /nfs/dbraw/zinc/46/93/91/735469391.db2.gz AMIYMFMOMSAIQY-GJZGRUSLSA-N 2 0 348.451 -0.322 20 0 EBADRP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CCO2)nn1 ZINC001051932138 735469983 /nfs/dbraw/zinc/46/99/83/735469983.db2.gz LMUILGMMYSPSPX-UKRRQHHQSA-N 2 0 349.435 -0.246 20 0 EBADRP Cn1ccc(C[NH2+]C[C@@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)cc1=O ZINC001051932411 735470744 /nfs/dbraw/zinc/47/07/44/735470744.db2.gz PUVIUYWYFGYBTA-MRXNPFEDSA-N 2 0 348.447 -0.202 20 0 EBADRP Cc1cc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CCO2)nn1C ZINC001051933014 735471127 /nfs/dbraw/zinc/47/11/27/735471127.db2.gz XSKLXJSDWMFIAN-GOEBONIOSA-N 2 0 335.452 -0.003 20 0 EBADRP O=C(N[C@H]1CC[N@H+](CCN2CCNC2=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001014459617 727957004 /nfs/dbraw/zinc/95/70/04/727957004.db2.gz VTIQBIVCKWHZFD-LSDHHAIUSA-N 2 0 335.452 -0.456 20 0 EBADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@@H](N2CC[NH+](CCO)CC2)C1 ZINC001052027607 735511084 /nfs/dbraw/zinc/51/10/84/735511084.db2.gz HTQRFIAZFLSXBX-IAGOWNOFSA-N 2 0 336.480 -0.461 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC[C@H](N3CC[NH+](CCCO)CC3)C2)CC[N@@H+]1C ZINC001052031362 735512077 /nfs/dbraw/zinc/51/20/77/735512077.db2.gz LODCBHFSHXKFLP-IXDOHACOSA-N 2 0 338.496 -0.073 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1CC[C@@H](N2CC[NH+](CCCO)CC2)C1)C1CC1 ZINC001052036315 735514265 /nfs/dbraw/zinc/51/42/65/735514265.db2.gz LCIKUTLAVXNMKA-SJORKVTESA-N 2 0 338.496 -0.073 20 0 EBADRP CC(C)[C@@H](C(=O)N1CC[C@H](N2CC[NH+](CCO)CC2)C1)[NH+](C)C ZINC001052037162 735514879 /nfs/dbraw/zinc/51/48/79/735514879.db2.gz FPHOVAMTOFQZID-HOTGVXAUSA-N 2 0 326.485 -0.217 20 0 EBADRP NC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001016741335 728500319 /nfs/dbraw/zinc/50/03/19/728500319.db2.gz VMKDAEJZFDVLOC-NTXUUIFSSA-N 2 0 348.447 -0.694 20 0 EBADRP NC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001016741338 728500344 /nfs/dbraw/zinc/50/03/44/728500344.db2.gz VMKDAEJZFDVLOC-OOWFEOPPSA-N 2 0 348.447 -0.694 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC23CC[NH+](CCN2CCNC2=O)CC3)C1 ZINC001016969192 728534436 /nfs/dbraw/zinc/53/44/36/728534436.db2.gz KECFNHYYYBKCGZ-HUUCEWRRSA-N 2 0 349.479 -0.066 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC23CC[NH+](CCN2CCNC2=O)CC3)C1 ZINC001016969189 728534543 /nfs/dbraw/zinc/53/45/43/728534543.db2.gz KECFNHYYYBKCGZ-CABCVRRESA-N 2 0 349.479 -0.066 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](N3CC[NH+](CCCO)CC3)C2)C1 ZINC001052084282 735538795 /nfs/dbraw/zinc/53/87/95/735538795.db2.gz UPLCBFYCKGEQPL-IAGOWNOFSA-N 2 0 338.496 -0.071 20 0 EBADRP O=C(N1[C@@H]2CC[C@H]1CN(CCN1CCNC1=O)C2)C12CC[NH+](CC1)C2 ZINC001018181663 728644031 /nfs/dbraw/zinc/64/40/31/728644031.db2.gz RFBCGIQVWHAFSI-GASCZTMLSA-N 2 0 347.463 -0.217 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+][C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)CCO1 ZINC001019774633 728988794 /nfs/dbraw/zinc/98/87/94/728988794.db2.gz BPSYJSLTAAUFSH-CABCVRRESA-N 2 0 338.452 -0.480 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2CCCS2(=O)=O)C1 ZINC001020026585 729057787 /nfs/dbraw/zinc/05/77/87/729057787.db2.gz ZCYNIMWHHOZDIZ-IHRRRGAJSA-N 2 0 344.481 -0.647 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001020028549 729058485 /nfs/dbraw/zinc/05/84/85/729058485.db2.gz CCBZVQWTWJYPED-SYQHCUMBSA-N 2 0 329.466 -0.248 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCC3)C2)n1 ZINC001020165431 729089428 /nfs/dbraw/zinc/08/94/28/729089428.db2.gz YCPAGGZJCQRRAB-HDJSIYSDSA-N 2 0 348.451 -0.473 20 0 EBADRP CCn1nncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020179189 729092707 /nfs/dbraw/zinc/09/27/07/729092707.db2.gz RPAFOOXSRSHXCD-IXYNUQLISA-N 2 0 348.451 -0.102 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1)C(N)=O ZINC001020235779 729110054 /nfs/dbraw/zinc/11/00/54/729110054.db2.gz DIGOYUUPZFKGHB-PWNZVWSESA-N 2 0 338.452 -0.260 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001020302895 729127293 /nfs/dbraw/zinc/12/72/93/729127293.db2.gz WNRCVKBQAQTMQW-AVGNSLFASA-N 2 0 337.424 -0.741 20 0 EBADRP C[C@H](N[C@H]1C[C@H](NC(=O)[C@H]2CCn3cncc3C2)C1)c1nnnn1C ZINC001020308641 729129262 /nfs/dbraw/zinc/12/92/62/729129262.db2.gz KTWJRDLDXBUNTB-CYDGBPFRSA-N 2 0 344.423 -0.033 20 0 EBADRP O=C(C[NH2+][C@@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1)N1CCC1 ZINC001020405886 729160047 /nfs/dbraw/zinc/16/00/47/729160047.db2.gz DNJXZVMMDIXRAJ-LIDHIPMTSA-N 2 0 348.447 -0.681 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001020592581 729207041 /nfs/dbraw/zinc/20/70/41/729207041.db2.gz ITXIDKIKULIIBS-XUXIUFHCSA-N 2 0 348.451 -0.257 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)cn1 ZINC001020721137 729223284 /nfs/dbraw/zinc/22/32/84/729223284.db2.gz MGOWRGPZQBXIEN-MGPQQGTHSA-N 2 0 334.424 -0.816 20 0 EBADRP Cn1cnnc1C[NH2+][C@H]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001020722000 729223445 /nfs/dbraw/zinc/22/34/45/729223445.db2.gz UHGUBVOWNYDNTL-HDJSIYSDSA-N 2 0 346.439 -0.376 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)CCO1 ZINC001021906286 729345031 /nfs/dbraw/zinc/34/50/31/729345031.db2.gz KBNSYANVDZAIPG-BYNSBNAKSA-N 2 0 338.452 -0.435 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001022069681 729451887 /nfs/dbraw/zinc/45/18/87/729451887.db2.gz NNDJVWNTCFQDON-FRRDWIJNSA-N 2 0 336.440 -0.282 20 0 EBADRP Cn1[nH]c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nc1=O ZINC001022089592 729453492 /nfs/dbraw/zinc/45/34/92/729453492.db2.gz KNVPRAICEQCWRE-FRRDWIJNSA-N 2 0 334.424 -0.813 20 0 EBADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@@H+]1C ZINC001022104130 729455521 /nfs/dbraw/zinc/45/55/21/729455521.db2.gz WPNJNXMFGWLJKB-YIYPIFLZSA-N 2 0 336.436 -0.288 20 0 EBADRP Cn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001022119359 729457215 /nfs/dbraw/zinc/45/72/15/729457215.db2.gz FBRUKEAYNYDCOO-RFQIPJPRSA-N 2 0 334.424 -0.585 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001023086739 729598780 /nfs/dbraw/zinc/59/87/80/729598780.db2.gz VWDNMSPAUNILQI-RFQIPJPRSA-N 2 0 329.466 -0.390 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001023088808 729599171 /nfs/dbraw/zinc/59/91/71/729599171.db2.gz KFPKIONAOYNPLN-BETUJISGSA-N 2 0 334.424 -0.359 20 0 EBADRP O=C(CCc1c[nH]cn1)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001024787641 729929276 /nfs/dbraw/zinc/92/92/76/729929276.db2.gz USHXATSQCMXMRQ-ZIAGYGMSSA-N 2 0 347.419 -0.874 20 0 EBADRP CC(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC001025016423 729987086 /nfs/dbraw/zinc/98/70/86/729987086.db2.gz LHJHFLLXAZDJDU-KBUPBQIOSA-N 2 0 340.468 -0.645 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)nc1=O ZINC001025140597 730005069 /nfs/dbraw/zinc/00/50/69/730005069.db2.gz JOBNHCXMKLCLGE-CYBMUJFWSA-N 2 0 348.451 -0.325 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025779062 730086729 /nfs/dbraw/zinc/08/67/29/730086729.db2.gz WPKRRJFHHJYSAS-SGPHBRAGSA-N 2 0 348.447 -0.289 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+]([C@@H]4CCN(C)C4=O)C[C@H]32)CC[N@@H+]1C ZINC001025795097 730089533 /nfs/dbraw/zinc/08/95/33/730089533.db2.gz RBPAKPCZRJMERN-KPRKPIBOSA-N 2 0 334.464 -0.006 20 0 EBADRP O=C(N[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025798629 730090672 /nfs/dbraw/zinc/09/06/72/730090672.db2.gz BDOBHNVGYNJLFP-AALSBFMBSA-N 2 0 346.435 -0.812 20 0 EBADRP CN1CCC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC[NH+](C)C2)C1=O ZINC001026140418 730124186 /nfs/dbraw/zinc/12/41/86/730124186.db2.gz NWMUMECIXYRAKJ-GAGVYUBLSA-N 2 0 334.464 -0.005 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001026149590 730126770 /nfs/dbraw/zinc/12/67/70/730126770.db2.gz YTLVAPIWEIOMKO-AQRJEWBLSA-N 2 0 348.447 -0.288 20 0 EBADRP Cn1nnnc1C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]12 ZINC001026401128 730143584 /nfs/dbraw/zinc/14/35/84/730143584.db2.gz VAYIVJAXGSEMCP-HZSPNIEDSA-N 2 0 345.451 -0.368 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3nnc4n3CCOC4)C2)C1 ZINC001027215997 730199918 /nfs/dbraw/zinc/19/99/18/730199918.db2.gz PXOXGWMLLKVDAL-KBPBESRZSA-N 2 0 348.451 -0.302 20 0 EBADRP O=C(NC[C@H]1CCC[N@H+]1C[C@H](O)Cn1cccn1)C12CC[NH+](CC1)C2 ZINC001028267027 730278734 /nfs/dbraw/zinc/27/87/34/730278734.db2.gz DYTDADAMJVDQKL-CVEARBPZSA-N 2 0 347.463 -0.080 20 0 EBADRP COc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@H]3CN(C)CCO3)C2)nn1 ZINC001028465944 730297303 /nfs/dbraw/zinc/29/73/03/730297303.db2.gz NJBCORYBNLLZJX-UKRRQHHQSA-N 2 0 349.435 -0.246 20 0 EBADRP NC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001028592280 730318683 /nfs/dbraw/zinc/31/86/83/730318683.db2.gz KJGYHKZKNQOPBU-HIFRSBDPSA-N 2 0 338.452 -0.447 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCN2CCNC2=O)C1 ZINC001028636208 730327605 /nfs/dbraw/zinc/32/76/05/730327605.db2.gz MCVZECCDBGTMJX-GJZGRUSLSA-N 2 0 337.468 -0.066 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001028778882 730356248 /nfs/dbraw/zinc/35/62/48/730356248.db2.gz NNQDTXVMUQVRBL-TZMCWYRMSA-N 2 0 336.436 -0.429 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+](CCN3C(=O)CCC3=O)C2)C1 ZINC001028982407 730377790 /nfs/dbraw/zinc/37/77/90/730377790.db2.gz KKMGUHJGHHLPPN-UONOGXRCSA-N 2 0 336.436 -0.475 20 0 EBADRP C[C@@H]([NH2+]Cc1nnnn1C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001029170330 730392438 /nfs/dbraw/zinc/39/24/38/730392438.db2.gz MTJFCUDFKOWSES-TZMCWYRMSA-N 2 0 335.456 -0.122 20 0 EBADRP CN1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCCNC2=O)C1 ZINC001029255488 730395477 /nfs/dbraw/zinc/39/54/77/730395477.db2.gz NOVHQUIIMKUZRT-LXTVHRRPSA-N 2 0 336.436 -0.729 20 0 EBADRP C[NH+](C)C1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CCC(=O)NC2=O)CCC1 ZINC001029337970 730399643 /nfs/dbraw/zinc/39/96/43/730399643.db2.gz YAJCDFDOOKBSPU-HZSPNIEDSA-N 2 0 348.447 -0.049 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CC[C@@H](C1)N2[C@@H]1CCC(=O)NC1=O ZINC001029474423 730407080 /nfs/dbraw/zinc/40/70/80/730407080.db2.gz WHHBHKXZZQTVAG-APIJFGDWSA-N 2 0 348.447 -0.049 20 0 EBADRP CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)[NH+](C)C ZINC001030020873 730536075 /nfs/dbraw/zinc/53/60/75/730536075.db2.gz CIVUTGVAFJOLNV-GZBFAFLISA-N 2 0 338.452 -0.042 20 0 EBADRP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)[NH+](C)C ZINC001030019276 730536172 /nfs/dbraw/zinc/53/61/72/730536172.db2.gz CIVUTGVAFJOLNV-GUTXKFCHSA-N 2 0 338.452 -0.042 20 0 EBADRP O=C(NCC1C[NH+](C[C@@H](O)Cn2cccn2)C1)C12CCC[NH+]1CCC2 ZINC001031811746 730773154 /nfs/dbraw/zinc/77/31/54/730773154.db2.gz AAYWWQYOFYSTRJ-MRXNPFEDSA-N 2 0 347.463 -0.080 20 0 EBADRP O=C(NCC1C[NH+](CCn2cccn2)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001031857215 730780860 /nfs/dbraw/zinc/78/08/60/730780860.db2.gz QJVIQTMLDJOSBJ-HQVVEAJESA-N 2 0 345.447 -0.206 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001032839761 730942925 /nfs/dbraw/zinc/94/29/25/730942925.db2.gz WGAUBSSIXAFDDM-PMPSAXMXSA-N 2 0 335.452 -0.081 20 0 EBADRP CC[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC[C@H]1[NH2+]CC(N)=O ZINC001037969273 731275778 /nfs/dbraw/zinc/27/57/78/731275778.db2.gz JUMRZODPEYGEPG-DZGCQCFKSA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2C[C@@H](O)Cn2cccn2)CC1 ZINC001038672290 731362664 /nfs/dbraw/zinc/36/26/64/731362664.db2.gz VGZZHMMTYWWFMQ-HZPDHXFCSA-N 2 0 335.452 -0.224 20 0 EBADRP C[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2C[C@H](O)Cn2cccn2)CC1 ZINC001038672273 731362904 /nfs/dbraw/zinc/36/29/04/731362904.db2.gz VGZZHMMTYWWFMQ-CVEARBPZSA-N 2 0 335.452 -0.224 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001039760800 731524255 /nfs/dbraw/zinc/52/42/55/731524255.db2.gz UCKHCPASUSQQQX-YOEHRIQHSA-N 2 0 338.452 -0.887 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)C[N@H+](C)C(C)C)C1)[NH+](C)C ZINC001040100027 731598151 /nfs/dbraw/zinc/59/81/51/731598151.db2.gz MJQQHPQJSGDKQU-WMLDXEAASA-N 2 0 342.484 -0.254 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001040116821 731606596 /nfs/dbraw/zinc/60/65/96/731606596.db2.gz DPWMIGFGGADATN-NVXWUHKLSA-N 2 0 340.468 -0.642 20 0 EBADRP CC(C)[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001040123909 731611700 /nfs/dbraw/zinc/61/17/00/731611700.db2.gz OBJYHJUXVYQWSE-RDJZCZTQSA-N 2 0 342.484 -0.396 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001040248929 731664961 /nfs/dbraw/zinc/66/49/61/731664961.db2.gz URXLUMXBJDDCDM-WMLDXEAASA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001040349971 731706598 /nfs/dbraw/zinc/70/65/98/731706598.db2.gz AHGCOEQRDMKFQI-YOEHRIQHSA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001040357328 731711140 /nfs/dbraw/zinc/71/11/40/731711140.db2.gz PUCWBFDSMIHVPR-KRWDZBQOSA-N 2 0 338.452 -0.887 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001040447336 731737337 /nfs/dbraw/zinc/73/73/37/731737337.db2.gz QHEVFHJMKPWLRV-PBHICJAKSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001040495638 731759392 /nfs/dbraw/zinc/75/93/92/731759392.db2.gz OMOKFHFPQAHTAL-RHSMWYFYSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@]1(O)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001040718636 731846016 /nfs/dbraw/zinc/84/60/16/731846016.db2.gz MQRSCKURTIMDJJ-QGZVFWFLSA-N 2 0 340.468 -0.496 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@]1(O)CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001040797464 731878797 /nfs/dbraw/zinc/87/87/97/731878797.db2.gz GTAMELNCWXGHQM-QGZVFWFLSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)CC[N@@H+]1C ZINC001040800785 731880674 /nfs/dbraw/zinc/88/06/74/731880674.db2.gz JZGZOXVYKQBOOD-CPUCHLNUSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@]1(O)CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001040903008 731911871 /nfs/dbraw/zinc/91/18/71/731911871.db2.gz WFCSYUUEDBIMHT-YOEHRIQHSA-N 2 0 340.468 -0.641 20 0 EBADRP NC(=O)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC001041487729 732139283 /nfs/dbraw/zinc/13/92/83/732139283.db2.gz DDZCCDPAZYURJD-HGDQPMEPSA-N 2 0 348.447 -0.741 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@]3(CCN(Cc4nnnn4C)C3)C2)C1 ZINC001041677334 732191121 /nfs/dbraw/zinc/19/11/21/732191121.db2.gz AORSCZCDGDULDJ-PBHICJAKSA-N 2 0 347.467 -0.024 20 0 EBADRP CC(C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1)[NH+](C)C ZINC001042096791 732305333 /nfs/dbraw/zinc/30/53/33/732305333.db2.gz BNYFADLNZMTBNX-KBPBESRZSA-N 2 0 340.468 -0.644 20 0 EBADRP C[NH+]1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001042097296 732307072 /nfs/dbraw/zinc/30/70/72/732307072.db2.gz GMVNAOWWLHJPSG-KGLIPLIRSA-N 2 0 338.452 -0.888 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1)C1CC1 ZINC001042103467 732313513 /nfs/dbraw/zinc/31/35/13/732313513.db2.gz FPCSVAFORXVVJA-ZIAGYGMSSA-N 2 0 338.452 -0.890 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001042103699 732314239 /nfs/dbraw/zinc/31/42/39/732314239.db2.gz HEYIWMQRTXZRNF-ZIAGYGMSSA-N 2 0 338.452 -0.746 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CC(O)(CNC(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001042103959 732315003 /nfs/dbraw/zinc/31/50/03/732315003.db2.gz KIGXUVYBTADRJZ-ZIAGYGMSSA-N 2 0 338.452 -0.888 20 0 EBADRP C[NH+](C)CCCC(=O)N1CCOC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001061595476 738635176 /nfs/dbraw/zinc/63/51/76/738635176.db2.gz JULSKCWQABAVTH-LSDHHAIUSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001061600159 738641081 /nfs/dbraw/zinc/64/10/81/738641081.db2.gz INAAMAKPUKAKJC-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP CC[C@H](C(=O)N1CC(O)(CNC(=O)C[NH+]2CCCC2)C1)[NH+](C)C ZINC001043124984 732773330 /nfs/dbraw/zinc/77/33/30/732773330.db2.gz YZNNMLGEUFVXHY-CYBMUJFWSA-N 2 0 326.441 -0.888 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001043159948 732795549 /nfs/dbraw/zinc/79/55/49/732795549.db2.gz NWLQKZZGMMAVIO-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1(O)CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001043159677 732795620 /nfs/dbraw/zinc/79/56/20/732795620.db2.gz GZHIEDKXMOLLTM-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[NH+](CC)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001061605812 738646105 /nfs/dbraw/zinc/64/61/05/738646105.db2.gz ZQHQRGYJCKEZHL-CABCVRRESA-N 2 0 340.468 -0.377 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC1(O)CN(C(=O)CCCC[NH+](C)C)C1 ZINC001043429935 732934495 /nfs/dbraw/zinc/93/44/95/732934495.db2.gz HUIOVTHBHRWZOE-UHFFFAOYSA-N 2 0 342.484 -0.252 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1CC(O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001043431818 732936137 /nfs/dbraw/zinc/93/61/37/732936137.db2.gz SYSWMKNVVAEYKF-UHFFFAOYSA-N 2 0 342.484 -0.254 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001043432914 732937676 /nfs/dbraw/zinc/93/76/76/732937676.db2.gz OEUKJKUCSHJTOS-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP CC[C@H](C(=O)NCC1(O)CN(C(=O)[C@H](CC)[NH+](C)C)C1)[NH+](C)C ZINC001043677740 733055486 /nfs/dbraw/zinc/05/54/86/733055486.db2.gz LFNRPDBLTZAYQK-OLZOCXBDSA-N 2 0 328.457 -0.644 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001043707789 733069253 /nfs/dbraw/zinc/06/92/53/733069253.db2.gz JSBVCKDPORUATM-AWEZNQCLSA-N 2 0 338.452 -0.888 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC(O)(CNC(=O)Cn2ccnc2)C1 ZINC001043712733 733073118 /nfs/dbraw/zinc/07/31/18/733073118.db2.gz BIJPKNIHTREZBJ-CQSZACIVSA-N 2 0 349.435 -0.553 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001043766534 733102009 /nfs/dbraw/zinc/10/20/09/733102009.db2.gz LNTUPBUVZKVIAG-CQSZACIVSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001043769362 733103924 /nfs/dbraw/zinc/10/39/24/733103924.db2.gz HBCHTZJJNUVBKD-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001043774036 733107240 /nfs/dbraw/zinc/10/72/40/733107240.db2.gz QSMTWBOQYFYWSQ-CQSZACIVSA-N 2 0 338.452 -0.744 20 0 EBADRP CC[C@H](C(=O)NC[C@H]1COCCN1C(=O)CC[NH+](C)C)[NH+](C)C ZINC001061681644 738692068 /nfs/dbraw/zinc/69/20/68/738692068.db2.gz VOUMSNIAVAWDTJ-UONOGXRCSA-N 2 0 328.457 -0.378 20 0 EBADRP CC[C@@H](C(=O)N1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1)[NH+](C)C ZINC001044023438 733250385 /nfs/dbraw/zinc/25/03/85/733250385.db2.gz MSABEYMLMGUJRB-ZDUSSCGKSA-N 2 0 338.452 -0.888 20 0 EBADRP CC[C@@H](C(=O)NCC1(O)CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1)[NH+](C)C ZINC001044042067 733259583 /nfs/dbraw/zinc/25/95/83/733259583.db2.gz VNFGDMMUPUJJPF-KGLIPLIRSA-N 2 0 340.468 -0.642 20 0 EBADRP CC[C@@H](C(=O)NCC1(O)CN(C(=O)C(C)(C)[N@H+](C)CC)C1)[NH+](C)C ZINC001044044376 733260561 /nfs/dbraw/zinc/26/05/61/733260561.db2.gz PALIHCVYXITKEH-ZDUSSCGKSA-N 2 0 342.484 -0.254 20 0 EBADRP CC[C@@H](C(=O)NCC1(O)CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1)[NH+](C)C ZINC001044045194 733261132 /nfs/dbraw/zinc/26/11/32/733261132.db2.gz ZSKWDYJGTHOIFA-KBPBESRZSA-N 2 0 340.468 -0.500 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1(O)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001044298876 733366100 /nfs/dbraw/zinc/36/61/00/733366100.db2.gz QOHUOMDDOUDUDK-UHFFFAOYSA-N 2 0 338.452 -0.887 20 0 EBADRP C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001044610430 733463794 /nfs/dbraw/zinc/46/37/94/733463794.db2.gz PZLGIOSJJRXGOV-CHWSQXEVSA-N 2 0 336.440 -0.487 20 0 EBADRP Cn1[nH]c(C[NH2+]C[C@@H]2CCCN2C(=O)C2CC[NH+](C)CC2)nc1=O ZINC001045181675 733614505 /nfs/dbraw/zinc/61/45/05/733614505.db2.gz ROLUYHCYSAIMHQ-ZDUSSCGKSA-N 2 0 336.440 -0.469 20 0 EBADRP CNC(=O)[C@H](C)[NH+]1CCC(C)(NC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001045397797 733686813 /nfs/dbraw/zinc/68/68/13/733686813.db2.gz ORCORZJMDACWEU-QWHCGFSZSA-N 2 0 326.441 -0.578 20 0 EBADRP C[NH+](C)CCCC(=O)NCC1(O)CN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001045412340 733689591 /nfs/dbraw/zinc/68/95/91/733689591.db2.gz AGUMHNHDCRBTAT-HNNXBMFYSA-N 2 0 340.468 -0.642 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001045417713 733691365 /nfs/dbraw/zinc/69/13/65/733691365.db2.gz LRGUQWSKQDWEHS-UHFFFAOYSA-N 2 0 328.457 -0.642 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045716747 733758818 /nfs/dbraw/zinc/75/88/18/733758818.db2.gz NMAPLNGMTFLWRP-CYBMUJFWSA-N 2 0 346.447 -0.693 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001046010380 733798808 /nfs/dbraw/zinc/79/88/08/733798808.db2.gz MBPAYRJZFBZPST-HUUCEWRRSA-N 2 0 337.468 -0.955 20 0 EBADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046028268 733814153 /nfs/dbraw/zinc/81/41/53/733814153.db2.gz XZESAQOSQVLWID-SJORKVTESA-N 2 0 336.480 -0.461 20 0 EBADRP CC1CC[NH+](CC(=O)N2CCN([C@@H]3CC[N@H+](CCO)C3)CC2)CC1 ZINC001046073538 733848945 /nfs/dbraw/zinc/84/89/45/733848945.db2.gz IEBDQDYKFRSEHN-QGZVFWFLSA-N 2 0 338.496 -0.071 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCN([C@H]3CC[NH+](CCCO)C3)CC2)C1 ZINC001046076633 733850807 /nfs/dbraw/zinc/85/08/07/733850807.db2.gz NVIKUODFTKJHCP-IRXDYDNUSA-N 2 0 338.496 -0.071 20 0 EBADRP O=C(N1CCN([C@H]2CC[N@@H+](CCCO)C2)CC1)C12CC[NH+](CC1)C2 ZINC001046076738 733852055 /nfs/dbraw/zinc/85/20/55/733852055.db2.gz POKOVMIJJQVSQN-INIZCTEOSA-N 2 0 336.480 -0.317 20 0 EBADRP CC[C@H](C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1)[NH+](C)C ZINC001046670964 733994646 /nfs/dbraw/zinc/99/46/46/733994646.db2.gz BZCDSBLIMDHSRO-ZIAGYGMSSA-N 2 0 340.468 -0.500 20 0 EBADRP CC[C@@H](C(=O)N1CC(O)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1)[NH+](C)C ZINC001046670961 733994654 /nfs/dbraw/zinc/99/46/54/733994654.db2.gz BZCDSBLIMDHSRO-KBPBESRZSA-N 2 0 340.468 -0.500 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC(O)(CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001046672031 733995842 /nfs/dbraw/zinc/99/58/42/733995842.db2.gz PNYRBUJCNYQFQA-AWEZNQCLSA-N 2 0 340.468 -0.498 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)C[NH+]2CCCC2)C1 ZINC001046672198 733996270 /nfs/dbraw/zinc/99/62/70/733996270.db2.gz QLZUZHQZPBOZSR-CQSZACIVSA-N 2 0 338.452 -0.744 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC1(O)CN(C(=O)CC[NH+](C)C)C1 ZINC001046672623 733996586 /nfs/dbraw/zinc/99/65/86/733996586.db2.gz XLCLTPPUASPDAA-CYBMUJFWSA-N 2 0 326.441 -0.888 20 0 EBADRP C[NH+](C)CCC(=O)N1CCOC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001061828263 738773011 /nfs/dbraw/zinc/77/30/11/738773011.db2.gz RSDZINSLSHNEEW-CQSZACIVSA-N 2 0 340.468 -0.377 20 0 EBADRP CN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)[C@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001047453475 734203473 /nfs/dbraw/zinc/20/34/73/734203473.db2.gz HQMQROYFJXQPSA-HOTGVXAUSA-N 2 0 345.403 -0.233 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)N(C)[C@H]2C[N@H+](CCCO)C[C@@H]2O)CC1 ZINC001047584534 734267686 /nfs/dbraw/zinc/26/76/86/734267686.db2.gz UZXVKFLLSQSHPF-HOTGVXAUSA-N 2 0 327.469 -0.007 20 0 EBADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CN(Cc2cnn(C)c2)C[C@@H]1O ZINC001047595574 734273782 /nfs/dbraw/zinc/27/37/82/734273782.db2.gz GXNVTOGDTSFGSW-BPUTZDHNSA-N 2 0 335.452 -0.235 20 0 EBADRP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001047628765 734290077 /nfs/dbraw/zinc/29/00/77/734290077.db2.gz JMFKLQNWDYAZSU-PMPSAXMXSA-N 2 0 325.453 -0.132 20 0 EBADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C[NH2+]Cc1nnnn1C ZINC001048277227 734379228 /nfs/dbraw/zinc/37/92/28/734379228.db2.gz KRLLDLLZVQUYJB-STQMWFEESA-N 2 0 335.456 -0.122 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001048558198 734444059 /nfs/dbraw/zinc/44/40/59/734444059.db2.gz MZUSZCCJXPQBJL-ILXRZTDVSA-N 2 0 340.468 -0.549 20 0 EBADRP CN(C)C(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001048823576 734525367 /nfs/dbraw/zinc/52/53/67/734525367.db2.gz FISWYDRXMZXZSZ-XHSDSOJGSA-N 2 0 334.464 -0.193 20 0 EBADRP C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1)C1CC1 ZINC001048863792 734543645 /nfs/dbraw/zinc/54/36/45/734543645.db2.gz LFTGILVQHPNHIK-QXSJWSMHSA-N 2 0 334.464 -0.005 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@@H]2C1 ZINC001048896303 734561183 /nfs/dbraw/zinc/56/11/83/734561183.db2.gz YEXXMWGNFQNBJO-XGUBFFRZSA-N 2 0 348.447 -0.334 20 0 EBADRP COCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943994 734579089 /nfs/dbraw/zinc/57/90/89/734579089.db2.gz MPXAXXCWYAIUJY-OWQJAQGESA-N 2 0 335.448 -0.114 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+]([C@H]4CCCNC4=O)C[C@@H]3C2)C1 ZINC001049059208 734630565 /nfs/dbraw/zinc/63/05/65/734630565.db2.gz NRIPFYUICNWBGC-WCVJEAGWSA-N 2 0 334.464 -0.003 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](C[C@@H](O)Cn4cccn4)C[C@@H]3C2)C1 ZINC001049215114 734687143 /nfs/dbraw/zinc/68/71/43/734687143.db2.gz JTEXFSVUNZFFBU-MWDXBVQZSA-N 2 0 347.463 -0.414 20 0 EBADRP CC[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001049435372 734729474 /nfs/dbraw/zinc/72/94/74/734729474.db2.gz LLCCITUDJBJCAK-IHRRRGAJSA-N 2 0 328.457 -0.692 20 0 EBADRP CN(C(=O)CC[NH+](C)C)[C@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@@H]1O ZINC001049436098 734730021 /nfs/dbraw/zinc/73/00/21/734730021.db2.gz ZSVFAPCFUFCBOM-DZKIICNBSA-N 2 0 340.468 -0.692 20 0 EBADRP CC[N@H+](C)CCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2C)C[C@@H]1O ZINC001049542362 734749946 /nfs/dbraw/zinc/74/99/46/734749946.db2.gz JSHXOVXMCHFRIF-KKUMJFAQSA-N 2 0 340.468 -0.548 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N2CCC[C@H]3C[N@H+](CCO)C[C@H]32)n1 ZINC001050048446 734831959 /nfs/dbraw/zinc/83/19/59/734831959.db2.gz YBDXXFAMXPVAJX-GOEBONIOSA-N 2 0 335.452 -0.027 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@H](CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001050234498 734876406 /nfs/dbraw/zinc/87/64/06/734876406.db2.gz HGUGZBMPXJCAPR-UONOGXRCSA-N 2 0 336.436 -0.284 20 0 EBADRP C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001051257882 735113988 /nfs/dbraw/zinc/11/39/88/735113988.db2.gz ASMMRVRSGKGRJH-CABCVRRESA-N 2 0 342.484 -0.131 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cnns2)C1 ZINC001051493663 735197029 /nfs/dbraw/zinc/19/70/29/735197029.db2.gz PGFXTHKIMMTDNP-WCQYABFASA-N 2 0 325.438 -0.051 20 0 EBADRP Cn1nncc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC001051616537 735267872 /nfs/dbraw/zinc/26/78/72/735267872.db2.gz JMRSHTIFOCPFRI-HZPDHXFCSA-N 2 0 348.451 -0.526 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](N3CC[NH+](CCCO)CC3)C2)C1 ZINC001052108734 735551246 /nfs/dbraw/zinc/55/12/46/735551246.db2.gz QCKMOZQETYMWHJ-IAGOWNOFSA-N 2 0 338.496 -0.071 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)CC2)n1 ZINC001052387315 735601720 /nfs/dbraw/zinc/60/17/20/735601720.db2.gz GYKKAALTBRJNIL-CYBMUJFWSA-N 2 0 336.440 -0.486 20 0 EBADRP Cn1cc(CC[NH+]2CC3(C2)C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CO3)cn1 ZINC001054007464 736146560 /nfs/dbraw/zinc/14/65/60/736146560.db2.gz FJPZWDLMILVXBV-JKSUJKDBSA-N 2 0 347.463 -0.126 20 0 EBADRP Cn1cc(CC[NH+]2CC3(C2)C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CO3)cn1 ZINC001054007462 736146854 /nfs/dbraw/zinc/14/68/54/736146854.db2.gz FJPZWDLMILVXBV-HOTGVXAUSA-N 2 0 347.463 -0.126 20 0 EBADRP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1[NH2+]CCN1CCNC1=O ZINC001054736066 736237057 /nfs/dbraw/zinc/23/70/57/736237057.db2.gz KXPWJZUZSKEDGY-KBPBESRZSA-N 2 0 337.468 -0.068 20 0 EBADRP C[C@H]1CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1[NH2+]CC(N)=O ZINC001054894754 736264852 /nfs/dbraw/zinc/26/48/52/736264852.db2.gz YGIKLSUGLYJRPU-FZMZJTMJSA-N 2 0 328.376 -0.197 20 0 EBADRP CC[N@H+](C)CCC(=O)NC1CC[NH+](CCNC(=O)COC)CC1 ZINC001055495332 736357340 /nfs/dbraw/zinc/35/73/40/736357340.db2.gz PJEPNNHGOOUSGE-UHFFFAOYSA-N 2 0 328.457 -0.329 20 0 EBADRP COCC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001055496516 736358283 /nfs/dbraw/zinc/35/82/83/736358283.db2.gz HZPAOTYVJFQPSG-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP CCOCC(=O)NCC[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001055505520 736361055 /nfs/dbraw/zinc/36/10/55/736361055.db2.gz KYGDDAKQUXFMOT-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP O=C(C[NH+]1CCCC1)NC1CC[NH+](CCNC(=O)c2ncc[nH]2)CC1 ZINC001055574144 736389033 /nfs/dbraw/zinc/38/90/33/736389033.db2.gz TWXUHCNCOVBEED-UHFFFAOYSA-N 2 0 348.451 -0.184 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CCNC(=O)C1CC[NH+](C)CC1 ZINC001057211861 737083412 /nfs/dbraw/zinc/08/34/12/737083412.db2.gz FHKZHNZCGQMJSX-OAHLLOKOSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001057632385 737371376 /nfs/dbraw/zinc/37/13/76/737371376.db2.gz NLAZQSKYYGEELD-KBPBESRZSA-N 2 0 328.457 -0.785 20 0 EBADRP CC[C@H](C(=O)NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC001057632387 737371497 /nfs/dbraw/zinc/37/14/97/737371497.db2.gz NLAZQSKYYGEELD-UONOGXRCSA-N 2 0 328.457 -0.785 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001057640297 737380596 /nfs/dbraw/zinc/38/05/96/737380596.db2.gz GHBKOCBPZWANKT-UHFFFAOYSA-N 2 0 328.457 -0.639 20 0 EBADRP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001057658644 737395752 /nfs/dbraw/zinc/39/57/52/737395752.db2.gz CMPBVXZPFKWNIX-UHFFFAOYSA-N 2 0 340.468 -0.639 20 0 EBADRP CC[NH+](CC)CC(=O)N(CCO)CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001057659805 737397111 /nfs/dbraw/zinc/39/71/11/737397111.db2.gz ZYUBUYPGJRTVLM-OAHLLOKOSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001057864523 737485857 /nfs/dbraw/zinc/48/58/57/737485857.db2.gz VSUGAISQKXYLBN-OAHLLOKOSA-N 2 0 342.484 -0.250 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCCN(CCO)C(=O)C[NH+](C)C(C)C ZINC001057864314 737485892 /nfs/dbraw/zinc/48/58/92/737485892.db2.gz MDKDPFZHGCKOOA-UHFFFAOYSA-N 2 0 344.500 -0.006 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)C1CC[NH+](C)CC1 ZINC001057993953 737581971 /nfs/dbraw/zinc/58/19/71/737581971.db2.gz DBXPZPHYBJZMOT-UHFFFAOYSA-N 2 0 342.484 -0.393 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001058039107 737601942 /nfs/dbraw/zinc/60/19/42/737601942.db2.gz QHJQJOKGHXNDBP-CABCVRRESA-N 2 0 340.468 -0.641 20 0 EBADRP C[NH+]1CCC[C@@H]1C(=O)NCCN(CCO)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001058157857 737680305 /nfs/dbraw/zinc/68/03/05/737680305.db2.gz JFJVKMCESPZZMF-LSDHHAIUSA-N 2 0 340.468 -0.641 20 0 EBADRP CC[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)C ZINC001058168445 737690207 /nfs/dbraw/zinc/69/02/07/737690207.db2.gz FJDCLZKRHOAHEE-KBPBESRZSA-N 2 0 328.457 -0.642 20 0 EBADRP C[NH+](C)CCCCC(=O)N(CCO)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001058236633 737726390 /nfs/dbraw/zinc/72/63/90/737726390.db2.gz ASHPJUAOQPWPQR-OAHLLOKOSA-N 2 0 342.484 -0.393 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCN(CCO)C(=O)CCCC[NH+](C)C ZINC001058237245 737727133 /nfs/dbraw/zinc/72/71/33/737727133.db2.gz WAJKRYIUYZPFOF-UHFFFAOYSA-N 2 0 344.500 -0.003 20 0 EBADRP C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1 ZINC001058607481 737919495 /nfs/dbraw/zinc/91/94/95/737919495.db2.gz CJYOJAARLCVSDO-UHFFFAOYSA-N 2 0 328.457 -0.639 20 0 EBADRP C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001058607648 737920062 /nfs/dbraw/zinc/92/00/62/737920062.db2.gz JJMXPNZIWOGICM-INIZCTEOSA-N 2 0 342.484 -0.395 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCCN(CCO)C(=O)CCC[NH+](C)C)C1 ZINC001058607587 737920151 /nfs/dbraw/zinc/92/01/51/737920151.db2.gz HJYVVCRIBWQBAR-HNNXBMFYSA-N 2 0 342.484 -0.393 20 0 EBADRP C[NH+](C)CCCC(=O)N(CCO)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001058610856 737921548 /nfs/dbraw/zinc/92/15/48/737921548.db2.gz SHWPZJAZIOJUHH-UHFFFAOYSA-N 2 0 342.484 -0.393 20 0 EBADRP C[NH+](C)CCC(=O)N(CCO)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001058709157 737959795 /nfs/dbraw/zinc/95/97/95/737959795.db2.gz JPNRAAZMMUKEPL-HNNXBMFYSA-N 2 0 342.484 -0.250 20 0 EBADRP CC(C)[C@@H](C(=O)NCCN(CCO)C(=O)CC[NH+](C)C)[NH+](C)C ZINC001058709431 737960550 /nfs/dbraw/zinc/96/05/50/737960550.db2.gz VGTJSDSCULLAQP-HNNXBMFYSA-N 2 0 330.473 -0.539 20 0 EBADRP CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001058815127 738002890 /nfs/dbraw/zinc/00/28/90/738002890.db2.gz MWNMWZMPSOOADR-UHFFFAOYSA-N 2 0 340.468 -0.639 20 0 EBADRP CC[N@H+](C)CCC(=O)N(CCO)CCNC(=O)C[NH+]1CCCC1 ZINC001058816094 738003575 /nfs/dbraw/zinc/00/35/75/738003575.db2.gz ISXKIFMRUWTQCQ-UHFFFAOYSA-N 2 0 328.457 -0.639 20 0 EBADRP CCC[N@H+](C)CC(=O)NCCN(CCO)C(=O)C[NH+]1CCC[C@@H]1C ZINC001058844312 738023864 /nfs/dbraw/zinc/02/38/64/738023864.db2.gz ZMMSZXOEYPTFNQ-HNNXBMFYSA-N 2 0 342.484 -0.250 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N(CCO)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001058844141 738024064 /nfs/dbraw/zinc/02/40/64/738024064.db2.gz UQGDECWODRTEMC-LSDHHAIUSA-N 2 0 340.468 -0.498 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001065169061 739573756 /nfs/dbraw/zinc/57/37/56/739573756.db2.gz HCZQVXMFFPDOOZ-KBPBESRZSA-N 2 0 326.441 -0.767 20 0 EBADRP C[NH+](C)CCCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001065169408 739574723 /nfs/dbraw/zinc/57/47/23/739574723.db2.gz LPEDRVVQOLZETK-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCO1 ZINC001065270819 739624564 /nfs/dbraw/zinc/62/45/64/739624564.db2.gz DPDFHJRBCFBSOS-OAHLLOKOSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[C@H](C(=O)N1CCO[C@H](CNC(=O)CC[NH+](C)C)C1)[NH+](C)C ZINC001065301202 739636169 /nfs/dbraw/zinc/63/61/69/739636169.db2.gz QZCZUNJPDOQNPG-ZIAGYGMSSA-N 2 0 328.457 -0.378 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001065409209 739693451 /nfs/dbraw/zinc/69/34/51/739693451.db2.gz INCOUWUQOZPMAR-HNNXBMFYSA-N 2 0 340.468 -0.232 20 0 EBADRP CC[C@H](C(=O)NC[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCO1)[NH+](C)C ZINC001065425752 739705667 /nfs/dbraw/zinc/70/56/67/739705667.db2.gz UVMICKVXFWCLRE-RRFJBIMHSA-N 2 0 340.468 -0.236 20 0 EBADRP CN(CCCN(C)C(=O)COCC[NH+](C)C)C(=O)CC[NH+](C)C ZINC001067829696 740222719 /nfs/dbraw/zinc/22/27/19/740222719.db2.gz GLXKYVSBKNHNOP-UHFFFAOYSA-N 2 0 330.473 -0.177 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)CO2 ZINC001069013641 740523347 /nfs/dbraw/zinc/52/33/47/740523347.db2.gz QXESZZLBGSACEW-CQSZACIVSA-N 2 0 340.468 -0.234 20 0 EBADRP O=C(N[C@@H]1CN(CCO)C[C@@H]1n1ccnn1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001069988126 740647136 /nfs/dbraw/zinc/64/71/36/740647136.db2.gz JBFHPYLVHFKVHD-OWCLPIDISA-N 2 0 348.451 -0.514 20 0 EBADRP O=C(N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)C12CCC[NH+]1CCC2 ZINC001070225917 740758186 /nfs/dbraw/zinc/75/81/86/740758186.db2.gz DGVONNGKGHGXJC-KGLIPLIRSA-N 2 0 334.424 -0.760 20 0 EBADRP C[NH+](C)CCC(=O)NC1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001070239129 740765211 /nfs/dbraw/zinc/76/52/11/740765211.db2.gz WYEQXQGSJWVGLR-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCO)C2)C1 ZINC001070534567 740857649 /nfs/dbraw/zinc/85/76/49/740857649.db2.gz ASDFPXLTWAVXQB-IJEWVQPXSA-N 2 0 335.452 -0.362 20 0 EBADRP Cn1cncc1[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]CCO ZINC001070664460 740914575 /nfs/dbraw/zinc/91/45/75/740914575.db2.gz SSEBKFCDFDRADZ-HUUCEWRRSA-N 2 0 347.463 -0.075 20 0 EBADRP NC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001071104260 741060454 /nfs/dbraw/zinc/06/04/54/741060454.db2.gz OKUNKGBBENXVAF-PBHICJAKSA-N 2 0 338.452 -0.447 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)COCC[NH+](C)C)C1 ZINC001072477869 741411091 /nfs/dbraw/zinc/41/10/91/741411091.db2.gz CKCWCHSAPSSCKW-CABCVRRESA-N 2 0 342.484 -0.131 20 0 EBADRP C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001072624004 741445296 /nfs/dbraw/zinc/44/52/96/741445296.db2.gz HPSWWQAUNUCVEG-HUUCEWRRSA-N 2 0 342.484 -0.131 20 0 EBADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H]1CCC(=O)NC1=O)C2 ZINC001072858882 741505119 /nfs/dbraw/zinc/50/51/19/741505119.db2.gz MCCMJEPMZDJHSU-ZIAGYGMSSA-N 2 0 348.447 -0.190 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N2CC3(C2)CC[NH+]([C@@H]2CCC(=O)NC2=O)C3)C1 ZINC001073127122 741566054 /nfs/dbraw/zinc/56/60/54/741566054.db2.gz AHAGHJDUMKKPHB-ZIAGYGMSSA-N 2 0 348.447 -0.332 20 0 EBADRP CN1CC[C@H]([N@@H+]2CCC3(CN(C(=O)C45CC[NH+](CC4)C5)C3)C2)C1=O ZINC001073129436 741566964 /nfs/dbraw/zinc/56/69/64/741566964.db2.gz YGKQVZKFEMEVEI-AWEZNQCLSA-N 2 0 332.448 -0.153 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CC[NH+]([C@H]2CCC(=O)NC2=O)C3)C1 ZINC001073425989 741612055 /nfs/dbraw/zinc/61/20/55/741612055.db2.gz NLQHJDZJEJQFKA-STQMWFEESA-N 2 0 334.420 -0.722 20 0 EBADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)[C@H]1C)C(N)=O ZINC001075003344 742156749 /nfs/dbraw/zinc/15/67/49/742156749.db2.gz WRQAHUYMXQPZRF-DYEKYZERSA-N 2 0 326.441 -0.450 20 0 EBADRP C[C@H]1[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001075044399 742166834 /nfs/dbraw/zinc/16/68/34/742166834.db2.gz BIXRCMXMMZLGAZ-RWMBFGLXSA-N 2 0 334.420 -0.534 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001075619599 742262644 /nfs/dbraw/zinc/26/26/44/742262644.db2.gz JJWZHCRNYORQJE-RRFJBIMHSA-N 2 0 348.447 -0.238 20 0 EBADRP CNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070462 742371521 /nfs/dbraw/zinc/37/15/21/742371521.db2.gz KNHIAPPXQVTCFQ-QAVLVDEHSA-N 2 0 348.447 -0.872 20 0 EBADRP CCn1cc(CC[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cn1 ZINC001077023660 742699958 /nfs/dbraw/zinc/69/99/58/742699958.db2.gz MAKBJPCPRKJIPD-MWQQHZPXSA-N 2 0 349.479 -0.053 20 0 EBADRP C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001077444140 742979553 /nfs/dbraw/zinc/97/95/53/742979553.db2.gz MEDKOFBIFZJGQB-KBRIMQKVSA-N 2 0 335.448 -0.054 20 0 EBADRP C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001077979052 743389241 /nfs/dbraw/zinc/38/92/41/743389241.db2.gz YQWAHTKHKCCJKF-APHBMKBZSA-N 2 0 325.453 -0.350 20 0 EBADRP Cn1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cc1=O ZINC001078013153 743415452 /nfs/dbraw/zinc/41/54/52/743415452.db2.gz UTXPPBLOKXFJPQ-HUUCEWRRSA-N 2 0 346.431 -0.858 20 0 EBADRP C[NH+]1CCC(C(=O)N2CCCO[C@H](C[NH2+][C@@H]3CCNC3=O)C2)CC1 ZINC001078460216 743660739 /nfs/dbraw/zinc/66/07/39/743660739.db2.gz NTVZAQSPMUTCQA-HUUCEWRRSA-N 2 0 338.452 -0.576 20 0 EBADRP C[N@H+](CCN1C(=O)CCC1=O)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000980410126 805882993 /nfs/dbraw/zinc/88/29/93/805882993.db2.gz YUQPWLPCGQAWQN-CQSZACIVSA-N 2 0 336.436 -0.236 20 0 EBADRP C[C@@H]1C[C@@H](C[NH2+]Cc2nnnn2C)CN1C(=O)C1CC[NH+](C)CC1 ZINC000980693643 805991537 /nfs/dbraw/zinc/99/15/37/805991537.db2.gz VHOZEYZGPQBSOK-OLZOCXBDSA-N 2 0 335.456 -0.122 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC000977201409 804211943 /nfs/dbraw/zinc/21/19/43/804211943.db2.gz HPFHQZAMGLJIHB-LVNYTYFRSA-N 2 0 334.464 -0.147 20 0 EBADRP CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC000978423143 804831874 /nfs/dbraw/zinc/83/18/74/804831874.db2.gz FVJYNXIYYDKPIX-QKDCVEJESA-N 2 0 327.388 -0.012 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(Cc3nnnn3C)C[C@H]21 ZINC000979083744 805126881 /nfs/dbraw/zinc/12/68/81/805126881.db2.gz ZSUPPTUNAFJUFA-APIJFGDWSA-N 2 0 347.467 -0.122 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000983716303 807086795 /nfs/dbraw/zinc/08/67/95/807086795.db2.gz NUUMYPSLJASUFN-XDQVBPFNSA-N 2 0 349.439 -0.942 20 0 EBADRP O=C(N[C@H]1C[C@H](C[NH2+]Cc2cnon2)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000983715299 807087783 /nfs/dbraw/zinc/08/77/83/807087783.db2.gz HQUVYDUXDDWPAK-QHSBEEBCSA-N 2 0 335.408 -0.083 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000984810157 807392027 /nfs/dbraw/zinc/39/20/27/807392027.db2.gz UHSCTYZYQSUJKA-ZDEQEGDKSA-N 2 0 336.440 -0.710 20 0 EBADRP C[N@H+](CC(N)=O)C1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000985493793 807520670 /nfs/dbraw/zinc/52/06/70/807520670.db2.gz XBTAZHIQAWMEIY-UHFFFAOYSA-N 2 0 340.468 -0.247 20 0 EBADRP C[C@@H]1[C@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000986815969 807783707 /nfs/dbraw/zinc/78/37/07/807783707.db2.gz TWMDUWDLPRQWEI-UKRRQHHQSA-N 2 0 337.468 -0.068 20 0 EBADRP C[C@@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989684791 808556639 /nfs/dbraw/zinc/55/66/39/808556639.db2.gz XCUDALFXFWPMHI-CHWSQXEVSA-N 2 0 349.435 -0.787 20 0 EBADRP C[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989684794 808556671 /nfs/dbraw/zinc/55/66/71/808556671.db2.gz XCUDALFXFWPMHI-STQMWFEESA-N 2 0 349.435 -0.787 20 0 EBADRP C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCOCC2)CN1C(=O)C[NH+]1CCCC1 ZINC000989800079 808598443 /nfs/dbraw/zinc/59/84/43/808598443.db2.gz PQFAMHAQOWGLKN-LSDHHAIUSA-N 2 0 338.452 -0.480 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nnc3n2CCOC3)CC1 ZINC000990275939 808718785 /nfs/dbraw/zinc/71/87/85/808718785.db2.gz FHVABGJHUPGQSM-CQSZACIVSA-N 2 0 348.451 -0.017 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N2CCOCC2)CC1 ZINC000990278393 808719619 /nfs/dbraw/zinc/71/96/19/808719619.db2.gz RHORCIBTCFRDSV-HNNXBMFYSA-N 2 0 338.452 -0.480 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC001215463065 810331331 /nfs/dbraw/zinc/33/13/31/810331331.db2.gz GDLMNOQFGSSZHX-QLFBSQMISA-N 2 0 340.468 -0.378 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001215461120 810331398 /nfs/dbraw/zinc/33/13/98/810331398.db2.gz SPKAJTPBOYQVOB-MGPQQGTHSA-N 2 0 331.482 -0.191 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001215536412 810334237 /nfs/dbraw/zinc/33/42/37/810334237.db2.gz QRSGUUPSDXNANT-FRRDWIJNSA-N 2 0 339.440 -0.637 20 0 EBADRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCN(C)S(C)(=O)=O)C1)[NH+](C)C ZINC001215571133 810336679 /nfs/dbraw/zinc/33/66/79/810336679.db2.gz AHJZNTQOJCFPHR-MCIONIFRSA-N 2 0 348.513 -0.346 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COCCOC)C1 ZINC001216001457 810354587 /nfs/dbraw/zinc/35/45/87/810354587.db2.gz CMOXCFJBGNGUIX-BZUAXINKSA-N 2 0 345.484 -0.211 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001215999030 810355004 /nfs/dbraw/zinc/35/50/04/810355004.db2.gz MJOXIOAGGBGCLK-ZIAGYGMSSA-N 2 0 325.457 -0.210 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC)C1 ZINC001216230224 810364025 /nfs/dbraw/zinc/36/40/25/810364025.db2.gz YHCMDFOUJNQRTN-FRRDWIJNSA-N 2 0 341.456 -0.391 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001216217288 810364174 /nfs/dbraw/zinc/36/41/74/810364174.db2.gz OYANKKKVDTZNED-HUUCEWRRSA-N 2 0 340.468 -0.377 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COCCOC)C1 ZINC001216226150 810364415 /nfs/dbraw/zinc/36/44/15/810364415.db2.gz NUSCJGIPXUAUHJ-OWCLPIDISA-N 2 0 345.484 -0.211 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001216229404 810364712 /nfs/dbraw/zinc/36/47/12/810364712.db2.gz IQZYHMZYSFQIEN-IJLUTSLNSA-N 2 0 327.429 -0.652 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1[NH2+][C@@H]1CCCN(C)C1=O ZINC001216402170 810372996 /nfs/dbraw/zinc/37/29/96/810372996.db2.gz WGBZPSLIXGSRKS-RBSFLKMASA-N 2 0 340.468 -0.378 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216751919 810384976 /nfs/dbraw/zinc/38/49/76/810384976.db2.gz BXHXWSCIBGGJSS-MGPQQGTHSA-N 2 0 346.497 -0.686 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001216758040 810385716 /nfs/dbraw/zinc/38/57/16/810385716.db2.gz WCUGMYLRKWVUPA-QLFBSQMISA-N 2 0 340.468 -0.521 20 0 EBADRP COCCCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216851731 810396432 /nfs/dbraw/zinc/39/64/32/810396432.db2.gz GWKWADOBXXYMHJ-HUUCEWRRSA-N 2 0 342.484 -0.084 20 0 EBADRP O=C(N[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001014452489 810433322 /nfs/dbraw/zinc/43/33/22/810433322.db2.gz CXIDVPZHYAFSRJ-LSDHHAIUSA-N 2 0 348.447 -0.332 20 0 EBADRP C[NH+]1CCN(c2ccc(NC(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)nc2)CC1 ZINC001218515931 810496671 /nfs/dbraw/zinc/49/66/71/810496671.db2.gz OJUNGFHYKCOQLE-RDTXWAMCSA-N 3 0 344.463 -0.029 20 0 EBADRP CN1CCN(c2ncccc2NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001218554723 810502582 /nfs/dbraw/zinc/50/25/82/810502582.db2.gz AUYQFWIPYLJOJL-CYBMUJFWSA-N 2 0 330.436 -0.419 20 0 EBADRP C[C@@]1(C(=O)n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)CC[NH2+]C1 ZINC001218619345 810511495 /nfs/dbraw/zinc/51/14/95/810511495.db2.gz FQAPTQHNRLEEBT-QGZVFWFLSA-N 2 0 333.436 -0.057 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cn[nH]c(=O)c1 ZINC001218653008 810516693 /nfs/dbraw/zinc/51/66/93/810516693.db2.gz UNBTWLWOKCOFCN-RYUDHWBXSA-N 2 0 336.396 -0.432 20 0 EBADRP Nc1cccnc1N(C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)C1CC[NH2+]CC1 ZINC001218694891 810519967 /nfs/dbraw/zinc/51/99/67/810519967.db2.gz DWPQAVUOPCNUKC-CYBMUJFWSA-N 3 0 330.436 -0.442 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1ncccc1CN1CCOCC1 ZINC001218698949 810521928 /nfs/dbraw/zinc/52/19/28/810521928.db2.gz ORTCXNZIUNSVRG-ZDUSSCGKSA-N 2 0 339.465 -0.129 20 0 EBADRP NS(=O)(=O)c1cncc(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)c1 ZINC001218750489 810526913 /nfs/dbraw/zinc/52/69/13/810526913.db2.gz HHRAPYCUHFFXMN-LBPRGKRZSA-N 2 0 339.421 -0.458 20 0 EBADRP COC(=O)c1c[nH]c2ncnc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c12 ZINC001218776393 810530395 /nfs/dbraw/zinc/53/03/95/810530395.db2.gz GUGLUPBSPHDDQS-QMMMGPOBSA-N 2 0 338.393 -0.298 20 0 EBADRP C[NH2+][C@@H](C)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218775059 810530992 /nfs/dbraw/zinc/53/09/92/810530992.db2.gz FAKLLYHHXZKTLU-LPEHRKFASA-N 2 0 342.831 -0.762 20 0 EBADRP C[NH2+][C@@H](C)C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218775057 810531197 /nfs/dbraw/zinc/53/11/97/810531197.db2.gz FAKLLYHHXZKTLU-GUBZILKMSA-N 2 0 342.831 -0.762 20 0 EBADRP O=C(Nc1cccc(C(=O)N2CCOCC2)c1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218850433 810537227 /nfs/dbraw/zinc/53/72/27/810537227.db2.gz MBDMJSYMIRDLSY-HNNXBMFYSA-N 2 0 344.415 -0.094 20 0 EBADRP O=C(Nc1ccccc1C(=O)N1CC[NH2+]CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001218879919 810538214 /nfs/dbraw/zinc/53/82/14/810538214.db2.gz LYEYRLNGABOELI-UGSOOPFHSA-N 2 0 344.415 -0.094 20 0 EBADRP [NH3+]CCCNCC(=O)Nc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC001218873092 810538902 /nfs/dbraw/zinc/53/89/02/810538902.db2.gz FCWMRTZWZRKUJO-UHFFFAOYSA-N 2 0 335.452 -0.322 20 0 EBADRP O=C(Nc1ccc(N2CC[NH+](CCO)CC2)cc1)[C@H]1[NH2+]CC[C@H]1O ZINC001218874623 810538986 /nfs/dbraw/zinc/53/89/86/810538986.db2.gz VQHBQNCKQIUAJD-CVEARBPZSA-N 2 0 334.420 -0.538 20 0 EBADRP CNS(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c1 ZINC001218901599 810543444 /nfs/dbraw/zinc/54/34/44/810543444.db2.gz KOJLFUXFYBQTQR-ZDUSSCGKSA-N 2 0 342.421 -0.434 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCN3C(=O)CCC3=O)C2)CC1 ZINC001015655514 810556744 /nfs/dbraw/zinc/55/67/44/810556744.db2.gz RCCSIJPFANKJPY-CQSZACIVSA-N 2 0 336.436 -0.332 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1ccc(S(=O)(=O)CCCO)cc1 ZINC001219092194 810577436 /nfs/dbraw/zinc/57/74/36/810577436.db2.gz COWMONZSPDKXLI-CYBMUJFWSA-N 2 0 329.422 -0.153 20 0 EBADRP COC(=O)c1ccc(N)c(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001219150171 810596830 /nfs/dbraw/zinc/59/68/30/810596830.db2.gz UUBDCDHTQCHAEY-ZDUSSCGKSA-N 2 0 335.408 -0.256 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH+](CCN3C(=O)CNC3=O)C2)C1 ZINC001015999926 810649383 /nfs/dbraw/zinc/64/93/83/810649383.db2.gz XXXZMLGQPKBNBS-STQMWFEESA-N 2 0 337.424 -0.930 20 0 EBADRP COc1cc2c(cc1NC(=O)[C@@H]1C[NH2+]CCN1)NC(=O)[C@]21CC[NH2+]C1 ZINC001219503114 810725586 /nfs/dbraw/zinc/72/55/86/810725586.db2.gz BCQKAMQQPQVBGY-GUYCJALGSA-N 2 0 345.403 -0.622 20 0 EBADRP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219538250 810742481 /nfs/dbraw/zinc/74/24/81/810742481.db2.gz WRZGEURSUPMYSW-MPKXVKKWSA-N 2 0 330.388 -0.597 20 0 EBADRP CC[NH+](CC)CCNC(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001219555583 810750143 /nfs/dbraw/zinc/75/01/43/810750143.db2.gz HNGBBWSMYVZZGL-CYBMUJFWSA-N 2 0 331.482 -0.141 20 0 EBADRP O=C(C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617685 810772606 /nfs/dbraw/zinc/77/26/06/810772606.db2.gz OHEWGWXJZWRYCD-WMHQRMGPSA-N 2 0 329.416 -0.286 20 0 EBADRP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001219617607 810772948 /nfs/dbraw/zinc/77/29/48/810772948.db2.gz MSSSTWZSOZNZSA-ORIJERBGSA-N 2 0 328.432 -0.761 20 0 EBADRP C[C@H]1C[NH2+]C[C@@H](CNC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C1 ZINC001219651244 810785399 /nfs/dbraw/zinc/78/53/99/810785399.db2.gz UUZIDXYMBINABW-AGIUHOORSA-N 2 0 328.457 -0.393 20 0 EBADRP [NH3+][C@H]1CCN([C@@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2O)c2cc3ccccc3o2)C1 ZINC001219714449 810804746 /nfs/dbraw/zinc/80/47/46/810804746.db2.gz LBULQGBHJRFRRP-ZOMKSWQUSA-N 2 0 344.415 -0.044 20 0 EBADRP O=C(N[C@@H]1C[NH2+]C[C@H]1O)c1ccc2c(c1)C1(CC2=O)CC[NH2+]CC1 ZINC001219714678 810804828 /nfs/dbraw/zinc/80/48/28/810804828.db2.gz TTXUOZDXKZNJKA-GDBMZVCRSA-N 2 0 329.400 -0.043 20 0 EBADRP COc1ccc2c(C[C@H]([NH3+])C(=O)N[C@@H]3C[NH2+]C[C@H]3O)cc(=O)oc2c1 ZINC001219714823 810805013 /nfs/dbraw/zinc/80/50/13/810805013.db2.gz ZCMCCAVVRZGQMM-BFHYXJOUSA-N 2 0 347.371 -0.880 20 0 EBADRP O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219737200 810817440 /nfs/dbraw/zinc/81/74/40/810817440.db2.gz QLCKXBCJQUGUKX-OLZOCXBDSA-N 2 0 346.435 -0.976 20 0 EBADRP CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743584 810820946 /nfs/dbraw/zinc/82/09/46/810820946.db2.gz HGUVJYZNXFMKPM-MGPQQGTHSA-N 2 0 325.409 -0.445 20 0 EBADRP O=C(C[C@@H]1C[NH2+]Cc2cccn2C1)NCc1nnc2n1CCC[NH2+]C2 ZINC001219747643 810821645 /nfs/dbraw/zinc/82/16/45/810821645.db2.gz XQPLBRMMGWKVOX-CYBMUJFWSA-N 2 0 343.435 -0.001 20 0 EBADRP O=C(NCc1nnc2n1CCC[NH2+]C2)[C@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001219749520 810823726 /nfs/dbraw/zinc/82/37/26/810823726.db2.gz OIBNXPVGYMUZBM-UONOGXRCSA-N 2 0 347.467 -0.396 20 0 EBADRP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)C1=NO[C@]2(CC[NH2+]C2)C1 ZINC001219794443 810843714 /nfs/dbraw/zinc/84/37/14/810843714.db2.gz ZWVZNYUTMAKASK-QGZVFWFLSA-N 3 0 335.452 -0.173 20 0 EBADRP CCOC(=O)C1(C(=O)NC2CC[NH+](C3CC[NH2+]CC3)CC2)C[NH2+]C1 ZINC001219795999 810846419 /nfs/dbraw/zinc/84/64/19/810846419.db2.gz IHOZDQAHDLJSJG-UHFFFAOYSA-N 3 0 338.452 -0.528 20 0 EBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219803216 810849211 /nfs/dbraw/zinc/84/92/11/810849211.db2.gz NUEQXAASXXHIGP-KBPBESRZSA-N 2 0 326.441 -0.495 20 0 EBADRP O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001219833756 810868583 /nfs/dbraw/zinc/86/85/83/810868583.db2.gz IRFJPRXLCWFSHH-NBFUAULTSA-N 2 0 339.436 -0.735 20 0 EBADRP [NH3+][C@@H](Cc1cscn1)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219833395 810868597 /nfs/dbraw/zinc/86/85/97/810868597.db2.gz COAHAZKBKBGGBF-OSAQELSMSA-N 2 0 340.449 -0.476 20 0 EBADRP [NH3+][C@H](C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)c1ccc(O)cc1 ZINC001219834355 810868648 /nfs/dbraw/zinc/86/86/48/810868648.db2.gz QBQMZXMQDYIOEH-NUTKFTJISA-N 2 0 335.404 -0.097 20 0 EBADRP O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1C[NH2+]C[C@@H]2CCO[C@H]21 ZINC001219836675 810871293 /nfs/dbraw/zinc/87/12/93/810871293.db2.gz BUIVQQKBFKHBQC-YCCFLXJFSA-N 2 0 339.436 -0.878 20 0 EBADRP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219878023 810891439 /nfs/dbraw/zinc/89/14/39/810891439.db2.gz WJPLOTSJSFMGKC-KFWWJZLASA-N 2 0 343.468 -0.459 20 0 EBADRP COCCn1c(=O)ccc2c1CC[C@@H](NC(=O)[C@@H]([NH3+])CCC[NH3+])C2 ZINC001219898851 810899433 /nfs/dbraw/zinc/89/94/33/810899433.db2.gz PHEXMVZIJAMRJM-KGLIPLIRSA-N 2 0 336.436 -0.466 20 0 EBADRP COC(=O)C1(NC(=O)[C@@]23CCCO[C@@H]2CC[NH2+]C3)CC[NH2+]CC1 ZINC001219999350 810940193 /nfs/dbraw/zinc/94/01/93/810940193.db2.gz QNHWZBBVCBQXKB-IUODEOHRSA-N 2 0 325.409 -0.444 20 0 EBADRP CC(C)(C)OC(=O)C1(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CCC([NH3+])CC1 ZINC001220039514 810957861 /nfs/dbraw/zinc/95/78/61/810957861.db2.gz HZEPTDSQWNJWNJ-SLMGRZLQSA-N 2 0 327.425 -0.193 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)[C@@H](C)OC1 ZINC001220139485 810998611 /nfs/dbraw/zinc/99/86/11/810998611.db2.gz SNKRITRDXKAFGP-MFKMUULPSA-N 2 0 340.424 -0.911 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220152230 811001592 /nfs/dbraw/zinc/00/15/92/811001592.db2.gz ZJELIDHRWJAVLW-CRWXNKLISA-N 2 0 340.468 -0.027 20 0 EBADRP [NH3+][C@H]1C[C@@H](CNC(=O)c2cnn3c2nccc3[C@H]2C[NH2+]CCO2)C1 ZINC001220151663 811002291 /nfs/dbraw/zinc/00/22/91/811002291.db2.gz BVGMAOFZJWSZSZ-UHIISALHSA-N 2 0 330.392 -0.143 20 0 EBADRP O=C(N[C@@H]1COCCC12OCCO2)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220172793 811005994 /nfs/dbraw/zinc/00/59/94/811005994.db2.gz BQFOAVSADVUKNX-QWHCGFSZSA-N 2 0 325.409 -0.491 20 0 EBADRP COC(=O)[C@@]1(NC(=O)CNCCC[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC001220228325 811025624 /nfs/dbraw/zinc/02/56/24/811025624.db2.gz JARFSJSXVSDCGX-GOSISDBHSA-N 2 0 348.447 -0.141 20 0 EBADRP CCOC(=O)CC[C@H](NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C(=O)OCC ZINC001220230622 811027448 /nfs/dbraw/zinc/02/74/48/811027448.db2.gz NFHUCZJNXPSMMH-GXTWGEPZSA-N 2 0 343.424 -0.296 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220230724 811027545 /nfs/dbraw/zinc/02/75/45/811027545.db2.gz PZGOQYFSXXUCDP-KFWWJZLASA-N 2 0 325.453 -0.084 20 0 EBADRP Cn1ccc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C2)cc1=O ZINC001220230913 811028049 /nfs/dbraw/zinc/02/80/49/811028049.db2.gz UKEDKVKBYJALPD-CABCVRRESA-N 2 0 336.436 -0.612 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220230725 811028231 /nfs/dbraw/zinc/02/82/31/811028231.db2.gz PZGOQYFSXXUCDP-ZNMIVQPWSA-N 2 0 325.453 -0.084 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCc1cn2ccccc2n1 ZINC001220278400 811044270 /nfs/dbraw/zinc/04/42/70/811044270.db2.gz QXHOPEYWBLIBIM-HNNXBMFYSA-N 2 0 330.436 -0.257 20 0 EBADRP CC(=O)NCSC[C@H]([NH3+])C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220311215 811051583 /nfs/dbraw/zinc/05/15/83/811051583.db2.gz LDDSDLICLLYEHC-NSHDSACASA-N 2 0 340.453 -0.853 20 0 EBADRP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220315875 811053619 /nfs/dbraw/zinc/05/36/19/811053619.db2.gz JVERRMJHCLBSTM-XEZPLFJOSA-N 2 0 326.441 -0.497 20 0 EBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220321194 811057156 /nfs/dbraw/zinc/05/71/56/811057156.db2.gz SOCNMEZJCBNJFS-DZKIICNBSA-N 2 0 326.441 -0.353 20 0 EBADRP Cn1cc(Br)c(CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001220335729 811060018 /nfs/dbraw/zinc/06/00/18/811060018.db2.gz ROZOXFMSEJIKLO-QMMMGPOBSA-N 2 0 328.214 -0.392 20 0 EBADRP CCOC(=O)C1(NC(=O)C[C@@H]([NH3+])CCCC[NH3+])CC[NH+](C)CC1 ZINC001220344707 811064266 /nfs/dbraw/zinc/06/42/66/811064266.db2.gz AMCHTHALSWIOIU-ZDUSSCGKSA-N 3 0 328.457 -0.024 20 0 EBADRP CCOC(=O)C1(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC[NH+](C)CC1 ZINC001220345404 811064376 /nfs/dbraw/zinc/06/43/76/811064376.db2.gz HXVSQXGJDFAZCR-CYBMUJFWSA-N 3 0 326.441 -0.543 20 0 EBADRP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036039919 811081145 /nfs/dbraw/zinc/08/11/45/811081145.db2.gz QODWIRLEKPYKQP-OLZOCXBDSA-N 2 0 336.440 -0.630 20 0 EBADRP C[C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)CC[C@H]1[NH2+]CC(N)=O ZINC001036039920 811081512 /nfs/dbraw/zinc/08/15/12/811081512.db2.gz QODWIRLEKPYKQP-QWHCGFSZSA-N 2 0 336.440 -0.630 20 0 EBADRP COCC[N@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387565 811085993 /nfs/dbraw/zinc/08/59/93/811085993.db2.gz LKYXQJWXNWENLY-ZNMIVQPWSA-N 2 0 329.441 -0.705 20 0 EBADRP O=C(Nc1ncc(Br)[nH]c1=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220398876 811094966 /nfs/dbraw/zinc/09/49/66/811094966.db2.gz QAHRBQSVTLUTHW-ZCFIWIBFSA-N 2 0 328.170 -0.720 20 0 EBADRP CCOC(=O)c1cccc(CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)n1 ZINC001220403611 811097073 /nfs/dbraw/zinc/09/70/73/811097073.db2.gz XCQCWWQSBXDDJR-CQSZACIVSA-N 2 0 349.435 -0.375 20 0 EBADRP O=C(C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1)NC[C@H]1COCC[NH2+]1 ZINC001220429462 811103961 /nfs/dbraw/zinc/10/39/61/811103961.db2.gz RYALQXDDADOCBS-SJORKVTESA-N 2 0 332.448 -0.045 20 0 EBADRP CC(C)[C@H](NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C(=O)N1CCOCC1 ZINC001220453335 811113360 /nfs/dbraw/zinc/11/33/60/811113360.db2.gz CEODTGNLNXMVSD-KBPBESRZSA-N 2 0 326.441 -0.687 20 0 EBADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)O1 ZINC001220481901 811123372 /nfs/dbraw/zinc/12/33/72/811123372.db2.gz VMXGMFRFEPWRLZ-NHIYQJMISA-N 3 0 340.468 -0.298 20 0 EBADRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001220481822 811123428 /nfs/dbraw/zinc/12/34/28/811123428.db2.gz SKCKTTVALLREGU-NHIYQJMISA-N 2 0 344.456 -0.539 20 0 EBADRP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)CN2CCCC[C@H]([NH3+])C2=O)O1 ZINC001220481431 811124069 /nfs/dbraw/zinc/12/40/69/811124069.db2.gz HBEPCFNPPDAXIH-VLXAULBPSA-N 2 0 342.440 -0.833 20 0 EBADRP [NH3+][C@@H](CNC(=O)[C@H]1Cn2nnnc2C12CC[NH2+]CC2)c1ccccc1 ZINC001220501226 811127305 /nfs/dbraw/zinc/12/73/05/811127305.db2.gz OKSCZJVBRKMRJT-KGLIPLIRSA-N 2 0 341.419 -0.260 20 0 EBADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1[NH2+]CCN1CCNC1=O ZINC001036267443 811131909 /nfs/dbraw/zinc/13/19/09/811131909.db2.gz PPEFANKEIYUMOG-GJZGRUSLSA-N 2 0 349.479 -0.066 20 0 EBADRP COc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCOCCOCC[NH3+] ZINC001220519640 811135591 /nfs/dbraw/zinc/13/55/91/811135591.db2.gz WDDGEOJQYLYDFZ-MRXNPFEDSA-N 2 0 337.420 -0.010 20 0 EBADRP [NH3+]CCOCCOCCNC(=O)[C@@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001220519673 811135776 /nfs/dbraw/zinc/13/57/76/811135776.db2.gz XLNGIPCPWCILIS-GJZGRUSLSA-N 2 0 328.457 -0.689 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCO[C@@H]2CCOC2)C[C@@H]1O ZINC001220688807 811203176 /nfs/dbraw/zinc/20/31/76/811203176.db2.gz QNJFUHMWUBWMMT-OAGGEKHMSA-N 2 0 343.468 -0.315 20 0 EBADRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCCCN1CCS(=O)(=O)CC1 ZINC001220756444 811229405 /nfs/dbraw/zinc/22/94/05/811229405.db2.gz DTAVCLZBNIYIGE-AWEZNQCLSA-N 2 0 348.513 -0.718 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@@H]2O)C1 ZINC001220755358 811229420 /nfs/dbraw/zinc/22/94/20/811229420.db2.gz MUIQFPRJEMLDGB-OAGGEKHMSA-N 2 0 325.453 -0.084 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@@H]2O)C1 ZINC001220755359 811229547 /nfs/dbraw/zinc/22/95/47/811229547.db2.gz MUIQFPRJEMLDGB-XHSDSOJGSA-N 2 0 325.453 -0.084 20 0 EBADRP O=C(NC[C@@H]1CC[NH2+][C@H]1c1cccnc1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220791397 811243690 /nfs/dbraw/zinc/24/36/90/811243690.db2.gz XRDOJZCVLUEQTP-KKUMJFAQSA-N 2 0 331.420 -0.821 20 0 EBADRP COc1ccc(CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c(OC)n1 ZINC001220824131 811254877 /nfs/dbraw/zinc/25/48/77/811254877.db2.gz XWEYKNDHPVASJU-ZDUSSCGKSA-N 2 0 337.424 -0.535 20 0 EBADRP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCOCCOC)C[C@@H]1O ZINC001220825887 811256478 /nfs/dbraw/zinc/25/64/78/811256478.db2.gz HNLRKIXHIZHIGK-CABCVRRESA-N 2 0 331.457 -0.457 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C)C[NH2+]C1 ZINC001220828527 811258067 /nfs/dbraw/zinc/25/80/67/811258067.db2.gz PVLCVFVYPWMRQP-JQWIXIFHSA-N 2 0 340.424 -0.599 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@@H]2CCCCN2[C@H]2CC[NH2+]C2)C[NH2+]C1 ZINC001220829810 811258520 /nfs/dbraw/zinc/25/85/20/811258520.db2.gz AEPUQGSXOIVNDU-WFASDCNBSA-N 2 0 336.436 -0.261 20 0 EBADRP CCOC(=O)C1=C(NC(=O)[C@H](CCCC[NH3+])NC(C)=O)C[NH2+]C1 ZINC001220830496 811258575 /nfs/dbraw/zinc/25/85/75/811258575.db2.gz YUSFUAPOYKYNHD-LBPRGKRZSA-N 2 0 326.397 -0.843 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)n1cc(Br)ccc1=NCC[NH3+] ZINC001220871003 811276310 /nfs/dbraw/zinc/27/63/10/811276310.db2.gz RIWBLMKXWVDXNG-SNVBAGLBSA-N 3 0 330.230 -0.184 20 0 EBADRP [NH3+]CCN(CCNC(=O)[C@H]1[NH2+]CCC[C@H]1C(F)(F)F)N(O)N=O ZINC001220900779 811288030 /nfs/dbraw/zinc/28/80/30/811288030.db2.gz PVLODTWWNYJKDA-BDAKNGLRSA-N 2 0 342.322 -0.419 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CCN(Cc2cccnc2)C1 ZINC001220914963 811291180 /nfs/dbraw/zinc/29/11/80/811291180.db2.gz HTHIRCGWYTXCMI-IRXDYDNUSA-N 2 0 346.479 -0.478 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CC(N)=O)C2)CC1 ZINC001036858076 811291759 /nfs/dbraw/zinc/29/17/59/811291759.db2.gz SZPUMZGTLGBBJS-HIFRSBDPSA-N 2 0 338.452 -0.495 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001220918655 811292622 /nfs/dbraw/zinc/29/26/22/811292622.db2.gz AIDDXXXOUBDFPB-CYBMUJFWSA-N 2 0 346.497 -0.270 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220930115 811297675 /nfs/dbraw/zinc/29/76/75/811297675.db2.gz LZVDOOGGJWDTSK-XNRPHZJLSA-N 3 0 339.484 -0.766 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCC1CCN(c2cnccn2)CC1 ZINC001220932579 811299714 /nfs/dbraw/zinc/29/97/14/811299714.db2.gz OGCLCZKXPLNXQM-ZDUSSCGKSA-N 2 0 338.481 -0.172 20 0 EBADRP O=C(NCCO[C@H]1CC[NH2+]C1)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001220937487 811301438 /nfs/dbraw/zinc/30/14/38/811301438.db2.gz SSJQWOMAQVDPCK-UONOGXRCSA-N 2 0 333.436 -0.371 20 0 EBADRP [NH3+][C@H]1CC[C@H](N(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)c2ccncn2)CC1 ZINC001220941460 811304576 /nfs/dbraw/zinc/30/45/76/811304576.db2.gz TZRHNGXUKHBGBB-IHRRRGAJSA-N 2 0 346.435 -0.590 20 0 EBADRP [NH3+]C1(C(=O)NCc2ccccc2)CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC001220968833 811316542 /nfs/dbraw/zinc/31/65/42/811316542.db2.gz FNLGDTVHIDVVKL-HUUCEWRRSA-N 2 0 346.431 -0.655 20 0 EBADRP Cn1nnnc1C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001037072355 811360130 /nfs/dbraw/zinc/36/01/30/811360130.db2.gz VKVANGFQTYSCMF-KBPBESRZSA-N 2 0 335.456 -0.074 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001221089723 811373730 /nfs/dbraw/zinc/37/37/30/811373730.db2.gz OTWSIBIFFWRWHA-ZNMIVQPWSA-N 2 0 340.468 -0.596 20 0 EBADRP O=C(NCc1ccc(N2CCCNC2=O)nc1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221153526 811393720 /nfs/dbraw/zinc/39/37/20/811393720.db2.gz KVJWPLSVVARTHL-CYBMUJFWSA-N 2 0 344.419 -0.574 20 0 EBADRP [NH3+][C@H](C(=O)NCc1ccc(N2CCCNC2=O)nc1)C1CC[NH2+]CC1 ZINC001221154043 811395020 /nfs/dbraw/zinc/39/50/20/811395020.db2.gz ZDJHQLDMXNOMFU-HNNXBMFYSA-N 2 0 346.435 -0.056 20 0 EBADRP COC(=O)[C@H](CCC[NH3+])NC(=O)c1csc(N2CC[NH2+]CC2)n1 ZINC001221190454 811412145 /nfs/dbraw/zinc/41/21/45/811412145.db2.gz OETGGDNBCGPNQR-JTQLQIEISA-N 2 0 341.437 -0.437 20 0 EBADRP C[C@@]1([NH3+])C[C@H](NC(=O)c2cnn3c2nccc3[C@H]2C[NH2+]CCO2)C1 ZINC001221241055 811422465 /nfs/dbraw/zinc/42/24/65/811422465.db2.gz MQFLKWUUUZJIIQ-ZXIHIIQKSA-N 2 0 330.392 0.000 20 0 EBADRP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CCC(C2=CC=C(N)C[NH2+]2)CC1 ZINC001221393146 811449026 /nfs/dbraw/zinc/44/90/26/811449026.db2.gz XOHUYUVTISLMTR-XMHCIUCPSA-N 2 0 326.466 -0.349 20 0 EBADRP Cn1ncc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c(Br)c1=O ZINC001221401033 811450655 /nfs/dbraw/zinc/45/06/55/811450655.db2.gz AKGUIBCMANQNHB-ZETCQYMHSA-N 2 0 332.202 -0.062 20 0 EBADRP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](CCn3cncn3)C[C@H]21 ZINC001221950735 811567584 /nfs/dbraw/zinc/56/75/84/811567584.db2.gz WATDFDBZURUVBN-HUUCEWRRSA-N 2 0 336.440 -0.611 20 0 EBADRP C[NH+](C)CCCC(=O)NCC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC001224268577 811752888 /nfs/dbraw/zinc/75/28/88/811752888.db2.gz BDCKSJOEQQSUPZ-AWEZNQCLSA-N 2 0 338.452 -0.038 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC2CC[NH+](CC(=O)NC(N)=O)CC2)C1 ZINC001224558124 811766303 /nfs/dbraw/zinc/76/63/03/811766303.db2.gz AYWBTUVTDRYPAZ-LBPRGKRZSA-N 2 0 339.440 -0.649 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC001224894462 811782225 /nfs/dbraw/zinc/78/22/25/811782225.db2.gz LOCGXDDGYWEODG-GFCCVEGCSA-N 2 0 341.456 -0.260 20 0 EBADRP CCN(C)C(=O)C[NH+]1CCC(CNC(=O)COCC[NH+](C)C)CC1 ZINC001225154716 811795929 /nfs/dbraw/zinc/79/59/29/811795929.db2.gz GMGXZAQBDKLVFT-UHFFFAOYSA-N 2 0 342.484 -0.129 20 0 EBADRP CC[C@@H](C(N)=O)[NH+]1CCC(CNC(=O)COCC[NH+](C)C)CC1 ZINC001225162895 811797417 /nfs/dbraw/zinc/79/74/17/811797417.db2.gz NKWCAULXWAOPGW-AWEZNQCLSA-N 2 0 328.457 -0.343 20 0 EBADRP NC(=O)NC(=O)C[NH+]1CCC(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001225435206 811810153 /nfs/dbraw/zinc/81/01/53/811810153.db2.gz HFEVLVMWDJXBNU-UHFFFAOYSA-N 2 0 325.413 -0.895 20 0 EBADRP CN(CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1)S(C)(=O)=O ZINC001226555408 811870031 /nfs/dbraw/zinc/87/00/31/811870031.db2.gz WDLSLSGZEPOIJB-AWEZNQCLSA-N 2 0 346.497 -0.447 20 0 EBADRP CC(C)[C@H](C(=O)NC1CCN(Cc2nc(=O)n(C)[nH]2)CC1)[NH+](C)C ZINC001229074260 812009800 /nfs/dbraw/zinc/00/98/00/812009800.db2.gz WILCWPFLLPLERC-CQSZACIVSA-N 2 0 338.456 -0.225 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCNC1=O ZINC001229709256 812050265 /nfs/dbraw/zinc/05/02/65/812050265.db2.gz FTEAQEPBKATUPD-RBSFLKMASA-N 2 0 340.468 -0.140 20 0 EBADRP C[NH+](C)CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCn1cncn1 ZINC001229715969 812050897 /nfs/dbraw/zinc/05/08/97/812050897.db2.gz DSPDRCXADBSOSQ-HUUCEWRRSA-N 2 0 338.456 -0.127 20 0 EBADRP CC[C@@H](C(=O)N1CCC(CO)(NC(=O)CC[NH+](C)C)CC1)[NH+](C)C ZINC001080989262 812428050 /nfs/dbraw/zinc/42/80/50/812428050.db2.gz QDKWFSDYWMNDBR-AWEZNQCLSA-N 2 0 342.484 -0.252 20 0 EBADRP OC[C@@H]1C[NH2+]CCN1Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001235445813 812487941 /nfs/dbraw/zinc/48/79/41/812487941.db2.gz UUIDSYXVPRSNKQ-HNNXBMFYSA-N 2 0 330.436 -0.038 20 0 EBADRP COC(=O)[C@@H]1C[C@H]([NH3+])CN(Cc2ccc(N3CC[NH2+]CC3)nc2)C1 ZINC001235776082 812513571 /nfs/dbraw/zinc/51/35/71/812513571.db2.gz NUXRPHWLVMPDLO-CABCVRRESA-N 2 0 333.436 -0.187 20 0 EBADRP c1ncn(-c2ccc(CN3CC[NH2+]CCNCC[NH2+]CC3)cc2)n1 ZINC001235871046 812514689 /nfs/dbraw/zinc/51/46/89/812514689.db2.gz ORNSOYNJQGYUCG-UHFFFAOYSA-N 2 0 329.452 -0.148 20 0 EBADRP COc1cncc(OC)c1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236311468 812516539 /nfs/dbraw/zinc/51/65/39/812516539.db2.gz JFKSOSUVCDOTMW-UHFFFAOYSA-N 2 0 339.440 -0.285 20 0 EBADRP C[C@H]1CNCC(F)(F)[C@H]1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236308521 812516702 /nfs/dbraw/zinc/51/67/02/812516702.db2.gz GAVJVOOSTXCGAF-STQMWFEESA-N 2 0 335.443 -0.407 20 0 EBADRP Nc1nc(Cl)ccc1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310881 812516762 /nfs/dbraw/zinc/51/67/62/812516762.db2.gz DCSDJHWUCLETII-UHFFFAOYSA-N 2 0 328.848 -0.067 20 0 EBADRP COc1ncnc(OC)c1CN(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236311415 812517157 /nfs/dbraw/zinc/51/71/57/812517157.db2.gz IPUCCKDALXIZAI-UHFFFAOYSA-N 2 0 340.428 -0.890 20 0 EBADRP O=S(=O)(Nc1cccnc1N1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001237493995 812520968 /nfs/dbraw/zinc/52/09/68/812520968.db2.gz WQJCQMSFJSRWQH-UHFFFAOYSA-N 2 0 325.438 -0.015 20 0 EBADRP O=S(=O)(CC1CC[NH2+]CC1)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001238329022 812526158 /nfs/dbraw/zinc/52/61/58/812526158.db2.gz SDSMONIOZZEYGJ-HUUCEWRRSA-N 2 0 347.481 -0.700 20 0 EBADRP CC(C)(C)OC(=O)[C@@H](N)CCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC001238827776 812532465 /nfs/dbraw/zinc/53/24/65/812532465.db2.gz FOOOIXXOUCQUJM-LBPRGKRZSA-N 2 0 335.470 -0.036 20 0 EBADRP CS(=O)(=O)c1ccccc1S(=O)(=O)NCCC[NH2+]CCC[NH3+] ZINC001238878276 812535038 /nfs/dbraw/zinc/53/50/38/812535038.db2.gz AXDGXXRAMYRBGE-UHFFFAOYSA-N 2 0 349.478 -0.303 20 0 EBADRP [NH3+]CC1CN([C@@H]2CCCN(S(=O)(=O)CC3CC[NH2+]CC3)C2)C1 ZINC001239112678 812545230 /nfs/dbraw/zinc/54/52/30/812545230.db2.gz CJLGODIXJOXKSA-OAHLLOKOSA-N 2 0 330.498 -0.329 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])S(=O)(=O)C1CCCCC1 ZINC001239130556 812546247 /nfs/dbraw/zinc/54/62/47/812546247.db2.gz CTACMWDNFWBGOP-UHFFFAOYSA-N 2 0 334.486 -0.235 20 0 EBADRP [NH3+][C@@H]1CCN(c2ccc(NC[C@H](O)CC3(O)CC[NH2+]CC3)cn2)C1 ZINC001245958371 812556180 /nfs/dbraw/zinc/55/61/80/812556180.db2.gz OBOSHUDRXZBPKF-UKRRQHHQSA-N 2 0 335.452 -0.104 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001245982719 812557431 /nfs/dbraw/zinc/55/74/31/812557431.db2.gz DMPRUYBRHJRGMZ-ZNMIVQPWSA-N 2 0 339.461 -0.964 20 0 EBADRP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1CC[NH2+]C[C@]2(CCCC(=O)N2)C1 ZINC001246027564 812559683 /nfs/dbraw/zinc/55/96/83/812559683.db2.gz AUEJUYIXJXITNW-YQVWRLOYSA-N 2 0 346.475 -0.139 20 0 EBADRP CCOC(=O)[C@@]12C[N@H+](C[C@@]3(O)CCC[NH2+]C3)C[C@@H]1CC[NH2+]CC2 ZINC001246035004 812561148 /nfs/dbraw/zinc/56/11/48/812561148.db2.gz MTGDSQQABZEEFS-UAGQMJEPSA-N 3 0 325.453 -0.034 20 0 EBADRP OC1(C[N@H+](CCN2CCOCC2)CC2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001246060436 812561938 /nfs/dbraw/zinc/56/19/38/812561938.db2.gz GCIGBFZOKXVOBA-UHFFFAOYSA-N 3 0 340.512 -0.265 20 0 EBADRP COc1cccc([C@H](O)CN(CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001246057519 812561988 /nfs/dbraw/zinc/56/19/88/812561988.db2.gz ZMXDZUIHNPOSSR-MRXNPFEDSA-N 2 0 338.452 -0.156 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@H](O)c1ccc(F)cc1 ZINC001246056420 812562009 /nfs/dbraw/zinc/56/20/09/812562009.db2.gz VEESHAXCNTUPAB-HNNXBMFYSA-N 2 0 326.416 -0.025 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])C[C@@H](O)c1ccc(F)cc1 ZINC001246056423 812562129 /nfs/dbraw/zinc/56/21/29/812562129.db2.gz VEESHAXCNTUPAB-OAHLLOKOSA-N 2 0 326.416 -0.025 20 0 EBADRP O=C([C@@H]1C[C@@H]([NH2+]C[C@@H]2CC3(C[NH2+]C3)CO2)CN1)N1CCSC1 ZINC001246125492 812564353 /nfs/dbraw/zinc/56/43/53/812564353.db2.gz IGALQCHUDSOBFH-AGIUHOORSA-N 2 0 326.466 -0.782 20 0 EBADRP O=C([C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]3C[NH2+]CCN3C2)CN1)N1CCSC1 ZINC001246130453 812565224 /nfs/dbraw/zinc/56/52/24/812565224.db2.gz RYDAHEAURFIEMX-QPSCCSFWSA-N 2 0 339.509 -0.867 20 0 EBADRP O=C(C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)NCC(=O)OCc1ccccc1 ZINC001246212612 812568104 /nfs/dbraw/zinc/56/81/04/812568104.db2.gz MTVBZIYTULMYNM-OAHLLOKOSA-N 2 0 346.431 -0.470 20 0 EBADRP O=C(C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)NCC(=O)OCc1ccccc1 ZINC001246212585 812568354 /nfs/dbraw/zinc/56/83/54/812568354.db2.gz MTVBZIYTULMYNM-HNNXBMFYSA-N 2 0 346.431 -0.470 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1NC1C[C@H]2CC(C(=O)OC)C[C@@H](C1)[NH2+]2 ZINC001246301067 812571092 /nfs/dbraw/zinc/57/10/92/812571092.db2.gz VZKPNOLHJLIMHY-WWEJYDQOSA-N 2 0 339.436 -0.201 20 0 EBADRP CC1(C)C[NH2+]C[C@H](CN[C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)O1 ZINC001246411261 812571962 /nfs/dbraw/zinc/57/19/62/812571962.db2.gz ATROVDRXARSUGS-XQQFMLRXSA-N 2 0 328.482 -0.394 20 0 EBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)C[NH+](C)C)CC2)CN1 ZINC001246393406 812572188 /nfs/dbraw/zinc/57/21/88/812572188.db2.gz FGXUWJZFDVMKEQ-TUVASFSCSA-N 2 0 340.468 -0.141 20 0 EBADRP NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1[C@@H]1CCC[NH2+]C1 ZINC001246482209 812573703 /nfs/dbraw/zinc/57/37/03/812573703.db2.gz LTMQYUVCCAHJHG-XBFCOCLRSA-N 2 0 334.424 -0.846 20 0 EBADRP CS(=O)(=O)c1cccc([C@H](CO)[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)c1 ZINC001246489261 812574324 /nfs/dbraw/zinc/57/43/24/812574324.db2.gz MQAPBAKKCYBSLP-ZFWWWQNUSA-N 2 0 339.461 -0.193 20 0 EBADRP C1COC2(CCC(N3CCO[C@@]4(C3)C[NH2+]CCOC4)CC2)C[NH2+]1 ZINC001246632147 812577868 /nfs/dbraw/zinc/57/78/68/812577868.db2.gz UXNIMMUPZJVFJF-OFLPRAFFSA-N 2 0 325.453 -0.022 20 0 EBADRP O=C([C@@H]1C[C@H](N2CCO[C@H]3CC[NH2+]C[C@@H]32)C[NH2+]1)N1CCSC1 ZINC001246667485 812579514 /nfs/dbraw/zinc/57/95/14/812579514.db2.gz ZYSXXVMKDMDEKO-XUXIUFHCSA-N 2 0 326.466 -0.688 20 0 EBADRP C1C(N2CC[NH+](C3C[C@@H]4COC[C@H](C3)N4)CC2)=NOC12CC[NH2+]CC2 ZINC001246662570 812579682 /nfs/dbraw/zinc/57/96/82/812579682.db2.gz AKFIBZZNCROEFL-XYPWUTKMSA-N 2 0 349.479 -0.021 20 0 EBADRP CNC(=O)CN1C(=O)CC[C@@]12CCC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246709008 812581873 /nfs/dbraw/zinc/58/18/73/812581873.db2.gz MFHHVOOHVBXPJP-KBXCAEBGSA-N 2 0 349.479 -0.717 20 0 EBADRP c1ncc(O[C@@H]2C[C@H]3CN([C@@H]4CCNC5(C[NH2+]C5)C4)CC[N@@H+]3C2)cn1 ZINC001246706178 812582302 /nfs/dbraw/zinc/58/23/02/812582302.db2.gz BOJAZWCQMKUGBM-OWCLPIDISA-N 2 0 344.463 -0.292 20 0 EBADRP Cn1cc(N2C(=O)C[C@@H]3[C@H]2CC[N@H+]3[C@@H]2CCNC3(C[NH2+]C3)C2)cn1 ZINC001246720128 812583462 /nfs/dbraw/zinc/58/34/62/812583462.db2.gz KTRNZAQRXMZKBR-BPLDGKMQSA-N 2 0 330.436 -0.306 20 0 EBADRP C[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246740153 812584830 /nfs/dbraw/zinc/58/48/30/812584830.db2.gz FVYWWZRFQAGVSC-HNNXBMFYSA-N 3 0 346.479 -0.395 20 0 EBADRP CCOC(=O)[C@@H]1CC[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)CO1 ZINC001246824543 812590232 /nfs/dbraw/zinc/59/02/32/812590232.db2.gz YVGPXVWGZBHATM-CABCVRRESA-N 2 0 328.457 -0.819 20 0 EBADRP [NH3+]CCCNC(=O)CN(CCC[NH3+])[C@H]1CCN[C@H](C(F)(F)F)C1 ZINC001246926876 812593488 /nfs/dbraw/zinc/59/34/88/812593488.db2.gz WUVXSXWJHXAMJG-RYUDHWBXSA-N 3 0 339.406 -0.215 20 0 EBADRP [NH3+]CCC(=O)CCC(=O)CCC(=O)CC[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC001254324570 812700365 /nfs/dbraw/zinc/70/03/65/812700365.db2.gz NDLJYIORPPQMII-GFCCVEGCSA-N 2 0 346.449 -0.230 20 0 EBADRP C[N@@H+]1CCC[C@H](N(Cc2cnc3n2CC[NH2+]CC3)S(C)(=O)=O)C1 ZINC001255491380 812715278 /nfs/dbraw/zinc/71/52/78/812715278.db2.gz XVCSZTSTIZABAG-ZDUSSCGKSA-N 2 0 341.481 -0.115 20 0 EBADRP CC[NH+](CC)CC[C@@H](C)[NH2+]CCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001255954280 812724250 /nfs/dbraw/zinc/72/42/50/812724250.db2.gz CFDIPLNIPOJHCE-GTDBDLECSA-N 2 0 334.457 -0.460 20 0 EBADRP COC(=O)[C@@H]1CC[C@H](NC(=[NH2+])NCCCC[NH3+])C[C@H]1C(=O)OC ZINC001257722754 812771264 /nfs/dbraw/zinc/77/12/64/812771264.db2.gz RIBWVFZNFMCIIK-QJPTWQEYSA-N 2 0 328.413 -0.030 20 0 EBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC(C)(C)CO1 ZINC001261896559 813006607 /nfs/dbraw/zinc/00/66/07/813006607.db2.gz JPIWBFQQEMVZHF-AWEZNQCLSA-N 2 0 342.484 -0.131 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC001262064410 813031482 /nfs/dbraw/zinc/03/14/82/813031482.db2.gz ZQBPGUKMUDMDBL-UONOGXRCSA-N 2 0 325.457 -0.922 20 0 EBADRP C[NH+](C)CCCC(=O)N1C[C@@H](O)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001081502885 813085995 /nfs/dbraw/zinc/08/59/95/813085995.db2.gz LBBVBUDGYPNKER-LSDHHAIUSA-N 2 0 340.468 -0.641 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001081506649 813098872 /nfs/dbraw/zinc/09/88/72/813098872.db2.gz VGAUMWDOBPWOQL-GJZGRUSLSA-N 2 0 342.484 -0.395 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001081506648 813098974 /nfs/dbraw/zinc/09/89/74/813098974.db2.gz VGAUMWDOBPWOQL-CABCVRRESA-N 2 0 342.484 -0.395 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCN2C(=O)CNC2=O)[C@@H]1C ZINC001264175291 813161097 /nfs/dbraw/zinc/16/10/97/813161097.db2.gz FFDNGQUODUZYCK-OLZOCXBDSA-N 2 0 339.440 -0.543 20 0 EBADRP Cn1cc([C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2[NH2+]CCCO)cn1 ZINC001264503403 813179012 /nfs/dbraw/zinc/17/90/12/813179012.db2.gz HQMUGZRWQHWYHX-JKSUJKDBSA-N 2 0 347.463 -0.218 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001264971044 813207600 /nfs/dbraw/zinc/20/76/00/813207600.db2.gz GZMCMKBAAWYQMR-VXGBXAGGSA-N 2 0 327.429 -0.637 20 0 EBADRP C[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)CC(=O)NC(N)=O ZINC001265007178 813217130 /nfs/dbraw/zinc/21/71/30/813217130.db2.gz HBTYPKZKAZRHNM-UHFFFAOYSA-N 2 0 325.413 -0.752 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001265007097 813217604 /nfs/dbraw/zinc/21/76/04/813217604.db2.gz DARIFXMYSBAPCW-LBPRGKRZSA-N 2 0 339.440 -0.364 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CN(C(=O)CC[NH+](C)CC)C[C@@H]1O ZINC001081634315 813334678 /nfs/dbraw/zinc/33/46/78/813334678.db2.gz GAWFSCLQELLFEU-CABCVRRESA-N 2 0 342.484 -0.395 20 0 EBADRP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCCN1C(=O)CNC1=O ZINC001265790264 813371109 /nfs/dbraw/zinc/37/11/09/813371109.db2.gz JPMKJWZSNBJSAR-OLZOCXBDSA-N 2 0 339.440 -0.493 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NCCC[N@H+](C)[C@H]2CCNC2=O)cn1 ZINC001265936819 813420331 /nfs/dbraw/zinc/42/03/31/813420331.db2.gz ILZNMTWLLLEQHM-AWEZNQCLSA-N 2 0 336.440 -0.615 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001266079961 813452709 /nfs/dbraw/zinc/45/27/09/813452709.db2.gz XBSWANZLMIMAMN-KGLIPLIRSA-N 2 0 348.513 -0.107 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081731933 813485592 /nfs/dbraw/zinc/48/55/92/813485592.db2.gz AKQYGRFVZKXDEP-KGLIPLIRSA-N 2 0 328.457 -0.785 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@H](O)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001081733168 813489081 /nfs/dbraw/zinc/48/90/81/813489081.db2.gz PXUVWJAOGMTXJD-KBPBESRZSA-N 2 0 328.457 -0.785 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@H](O)[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001081774391 813541963 /nfs/dbraw/zinc/54/19/63/813541963.db2.gz OJKHMELJFAVUEM-CABCVRRESA-N 2 0 342.484 -0.395 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C(=O)C[NH+](C)C(C)C)C[C@@H]1O ZINC001081774819 813542826 /nfs/dbraw/zinc/54/28/26/813542826.db2.gz UIUWUQNDZAJSQG-CABCVRRESA-N 2 0 342.484 -0.396 20 0 EBADRP CC[NH+](C)CCC(=O)N1C[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@H](O)C1 ZINC001081774929 813543292 /nfs/dbraw/zinc/54/32/92/813543292.db2.gz VZTSECREEUGBSF-HUUCEWRRSA-N 2 0 342.484 -0.395 20 0 EBADRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCN2C(=O)CNC2=O)C1)[NH+](C)C ZINC001266622749 813624907 /nfs/dbraw/zinc/62/49/07/813624907.db2.gz PXNVEJQKGKBEKI-AVGNSLFASA-N 2 0 339.440 -0.495 20 0 EBADRP CN(CC[NH2+]C[C@H](O)COC1CCOCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001266660117 813633557 /nfs/dbraw/zinc/63/35/57/813633557.db2.gz KEWFVEHKIDYJKD-HOCLYGCPSA-N 2 0 343.468 -0.315 20 0 EBADRP CN(CC[NH2+]C[C@@H](O)COC1CCOCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001266660118 813634495 /nfs/dbraw/zinc/63/44/95/813634495.db2.gz KEWFVEHKIDYJKD-ZBFHGGJFSA-N 2 0 343.468 -0.315 20 0 EBADRP CS(=O)(=O)NCC[NH2+][C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001266697295 813643494 /nfs/dbraw/zinc/64/34/94/813643494.db2.gz MMNWQFAQOQRYTM-BETUJISGSA-N 2 0 344.481 -0.599 20 0 EBADRP CC[C@@H](C(=O)N(C)CC[NH2+]CC(=O)N1CCO[C@@H](C)C1)[NH+](C)C ZINC001266835968 813679948 /nfs/dbraw/zinc/67/99/48/813679948.db2.gz BYCGHNHZVUYFPB-KBPBESRZSA-N 2 0 328.457 -0.378 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CC[NH2+]CCN1CCNC1=O ZINC001267109709 813762471 /nfs/dbraw/zinc/76/24/71/813762471.db2.gz KFTCRURUZGXXBP-OKILXGFUSA-N 2 0 325.457 -0.068 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)N(C)CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001267380503 813867194 /nfs/dbraw/zinc/86/71/94/813867194.db2.gz PUMNTQHZAYQNSL-NWDGAFQWSA-N 2 0 330.404 -0.481 20 0 EBADRP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082596392 813976131 /nfs/dbraw/zinc/97/61/31/813976131.db2.gz JIRJMMGZIOTHDZ-RBSFLKMASA-N 2 0 337.468 -0.068 20 0 EBADRP C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC001082861433 814016896 /nfs/dbraw/zinc/01/68/96/814016896.db2.gz AOMXPFLJXSJQCH-RBSFLKMASA-N 2 0 337.468 -0.210 20 0 EBADRP CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCN1C(=O)CNC1=O ZINC001267818713 814049304 /nfs/dbraw/zinc/04/93/04/814049304.db2.gz MSMWQPPTUQNHLI-ZDUSSCGKSA-N 2 0 339.440 -0.636 20 0 EBADRP Cn1cc(CC[N@@H+]2C[C@H]3OCCN(C(=O)[C@H]4CC[NH+](C)C4)[C@H]3C2)cn1 ZINC001083275340 814256042 /nfs/dbraw/zinc/25/60/42/814256042.db2.gz YMCWSOFUEUXQJG-YESZJQIVSA-N 2 0 347.463 -0.174 20 0 EBADRP O=C(C[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2)Nc1ccon1 ZINC001268613421 814318350 /nfs/dbraw/zinc/31/83/50/814318350.db2.gz MVOBVVGGFMTJCB-UPHRSURJSA-N 2 0 333.392 -0.029 20 0 EBADRP O=C(C[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2)Nc1cnccn1 ZINC001268612094 814318644 /nfs/dbraw/zinc/31/86/44/814318644.db2.gz DADYDONZSAZRIJ-OWOJBTEDSA-N 2 0 344.419 -0.227 20 0 EBADRP C[C@H](C[NH2+]CCS(C)(=O)=O)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001268651783 814337810 /nfs/dbraw/zinc/33/78/10/814337810.db2.gz YLVOFTFNVUNONS-CYBMUJFWSA-N 2 0 349.497 -0.516 20 0 EBADRP CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)CCN1C(=O)CNC1=O)[NH+](C)C ZINC001268747290 814374871 /nfs/dbraw/zinc/37/48/71/814374871.db2.gz QCUZVYVIJVOGFU-NEPJUHHUSA-N 2 0 327.429 -0.685 20 0 EBADRP CN(CCC[NH2+]CC(=O)NC(=O)NC1CC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268783556 814385992 /nfs/dbraw/zinc/38/59/92/814385992.db2.gz KGRUGJOTKLWTTG-CYBMUJFWSA-N 2 0 339.440 -0.493 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@H](C[NH2+]CCN2CCNC2=O)C2CC2)CC1 ZINC001269111538 814536646 /nfs/dbraw/zinc/53/66/46/814536646.db2.gz WDMQACUXIXKCCH-OAHLLOKOSA-N 2 0 337.468 -0.162 20 0 EBADRP C[NH+](C)CCN1C[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)OCC1=O ZINC001269247648 814593199 /nfs/dbraw/zinc/59/31/99/814593199.db2.gz ICIBAGHSWIQGPB-RHSMWYFYSA-N 2 0 338.452 -0.670 20 0 EBADRP C[NH+](C)CCN1C[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)OCC1=O ZINC001269247649 814593321 /nfs/dbraw/zinc/59/33/21/814593321.db2.gz ICIBAGHSWIQGPB-WMLDXEAASA-N 2 0 338.452 -0.670 20 0 EBADRP O=C(N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001083654253 814664544 /nfs/dbraw/zinc/66/45/44/814664544.db2.gz FBEXAFFJMXAWQC-MXIHSMQYSA-N 2 0 327.400 -0.630 20 0 EBADRP C[NH+](C)CCC(=O)NC1(C[NH2+]CCN2C(=O)CNC2=O)CCCC1 ZINC001269572059 814732547 /nfs/dbraw/zinc/73/25/47/814732547.db2.gz GCQBXGVTFDGCFH-UHFFFAOYSA-N 2 0 339.440 -0.492 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@@H]2O)CC1 ZINC001083750312 814754779 /nfs/dbraw/zinc/75/47/79/814754779.db2.gz PKFPDAIPOZBYLV-KFWWJZLASA-N 2 0 348.451 -0.732 20 0 EBADRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C[NH2+]CCNS(C)(=O)=O ZINC001270506285 815797976 /nfs/dbraw/zinc/79/79/76/815797976.db2.gz FBOSUGFALNTXEO-GFCCVEGCSA-N 2 0 334.486 -0.781 20 0 EBADRP C[C@@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001270985767 815943826 /nfs/dbraw/zinc/94/38/26/815943826.db2.gz IFMCGASDVTWSGM-ZDUSSCGKSA-N 2 0 325.457 -0.068 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)N2C[C@H]3CC[N@H+](CCCO)C[C@H]32)cn1 ZINC001084714799 815966366 /nfs/dbraw/zinc/96/63/66/815966366.db2.gz ZQUSEIHJSFCQIQ-GDBMZVCRSA-N 2 0 335.452 -0.027 20 0 EBADRP C[C@@H](C[NH2+]CCN1CCCS1(=O)=O)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001271068493 815974266 /nfs/dbraw/zinc/97/42/66/815974266.db2.gz PXRPPZITEOJOGL-UONOGXRCSA-N 2 0 346.497 -0.447 20 0 EBADRP C[C@@H](C[NH2+]CCN(C)S(C)(=O)=O)N(C)C(=O)C[NH+]1CCCC1 ZINC001271206835 816035041 /nfs/dbraw/zinc/03/50/41/816035041.db2.gz INZCGFYGZPQSJG-ZDUSSCGKSA-N 2 0 334.486 -0.590 20 0 EBADRP C[C@@H](C[NH2+]CCCS(=O)(=O)N(C)C)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001271210597 816036441 /nfs/dbraw/zinc/03/64/41/816036441.db2.gz YMSDMMPNMAQTQF-KBPBESRZSA-N 2 0 348.513 -0.344 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC(=O)NC1=O ZINC001085423462 816048777 /nfs/dbraw/zinc/04/87/77/816048777.db2.gz RGCHELQAVXACAO-MCIONIFRSA-N 2 0 336.436 -0.096 20 0 EBADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC(=O)NC1=O ZINC001085423463 816048839 /nfs/dbraw/zinc/04/88/39/816048839.db2.gz RGCHELQAVXACAO-MGPQQGTHSA-N 2 0 336.436 -0.096 20 0 EBADRP O=C(NC[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001086093490 816227542 /nfs/dbraw/zinc/22/75/42/816227542.db2.gz RRHIHRBQOCMZML-XUWVNRHRSA-N 2 0 348.451 -0.374 20 0 EBADRP NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001086106787 816231625 /nfs/dbraw/zinc/23/16/25/816231625.db2.gz ZMRJQDOQOSYOQN-VNHYZAJKSA-N 2 0 338.452 -0.401 20 0 EBADRP CC[NH+]1CCN(CC(=O)N2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)CC1 ZINC001271906085 816248350 /nfs/dbraw/zinc/24/83/50/816248350.db2.gz UFDCILNKPSUABM-CALCHBBNSA-N 2 0 337.512 -0.139 20 0 EBADRP C[NH+](C)CCN1CCO[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]21 ZINC001271939555 816259608 /nfs/dbraw/zinc/25/96/08/816259608.db2.gz FWJUXZLWUBDBCL-BBWFWOEESA-N 2 0 336.480 -0.199 20 0 EBADRP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001271940838 816261226 /nfs/dbraw/zinc/26/12/26/816261226.db2.gz LKAHSLGTWWVPEK-IXDOHACOSA-N 2 0 336.480 -0.199 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001086327833 816297523 /nfs/dbraw/zinc/29/75/23/816297523.db2.gz RLJMVKMMIMNIIE-KBUPBQIOSA-N 2 0 343.493 0.000 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)n1 ZINC001086369100 816309173 /nfs/dbraw/zinc/30/91/73/816309173.db2.gz PWVJVMZOCGOARY-MGPQQGTHSA-N 2 0 348.451 -0.569 20 0 EBADRP O=C(NC[C@@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001086432568 816333002 /nfs/dbraw/zinc/33/30/02/816333002.db2.gz YTCDLSGPKLKELD-MRQDFBQNSA-N 2 0 348.447 -0.778 20 0 EBADRP CC[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1)C(N)=O ZINC001086456746 816344419 /nfs/dbraw/zinc/34/44/19/816344419.db2.gz USVVOAZRNBNYSQ-TUVASFSCSA-N 2 0 340.468 -0.156 20 0 EBADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001086477886 816350466 /nfs/dbraw/zinc/35/04/66/816350466.db2.gz BOKSFBIYRWGFIJ-AJNGGQMLSA-N 2 0 337.468 -0.306 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001086552150 816372224 /nfs/dbraw/zinc/37/22/24/816372224.db2.gz WULJCVHBMAYJLN-XQLPTFJDSA-N 2 0 343.493 -0.143 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCNC(=O)NC(C)(C)C ZINC001272378452 816415544 /nfs/dbraw/zinc/41/55/44/816415544.db2.gz CIXPFLAEWGXXPL-STQMWFEESA-N 2 0 343.472 -0.755 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)NCc2nc(C[NH2+]C[C@@H]3CCOC3)cc(=O)[nH]2)C1 ZINC001087261920 816495199 /nfs/dbraw/zinc/49/51/99/816495199.db2.gz GVSKNWJKJMWWKV-STQMWFEESA-N 2 0 349.435 -0.124 20 0 EBADRP C[C@H](CC[NH2+]Cc1ccn(C)c(=O)c1)NC(=O)[C@H]1CN(C)CCO1 ZINC001272704025 816509245 /nfs/dbraw/zinc/50/92/45/816509245.db2.gz PDKIOBSMBRDNAD-UKRRQHHQSA-N 2 0 336.436 -0.300 20 0 EBADRP C[C@@H](CC[NH2+]CCN1CCCC1=O)NC(=O)[C@@H]1CN(C)CCO1 ZINC001272704677 816509479 /nfs/dbraw/zinc/50/94/79/816509479.db2.gz TYLRXSGJVLOORG-KBPBESRZSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@@H](CC[NH2+]CCNS(C)(=O)=O)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001272781232 816523142 /nfs/dbraw/zinc/52/31/42/816523142.db2.gz GPZUPROFBJUSGK-GXTWGEPZSA-N 2 0 346.497 -0.638 20 0 EBADRP C[C@@H](CC[NH2+]CCN1C(=O)CNC1=O)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272865836 816540845 /nfs/dbraw/zinc/54/08/45/816540845.db2.gz ONKFAPOPVAQVEW-STQMWFEESA-N 2 0 339.440 -0.493 20 0 EBADRP CC[C@@H](C(N)=O)N1C[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273029900 816570930 /nfs/dbraw/zinc/57/09/30/816570930.db2.gz GSFZUVZNQGGACQ-YOEHRIQHSA-N 2 0 338.452 -0.447 20 0 EBADRP O=C(C[N@H+]1CC[C@@H](O)C1)N1CC2(C1)CC[NH+](CCn1ccnc1)C2 ZINC001273069318 816577353 /nfs/dbraw/zinc/57/73/53/816577353.db2.gz HYXSFMOVCNZXRG-OAHLLOKOSA-N 2 0 333.436 -0.516 20 0 EBADRP C[C@H](CC[NH2+]CC(=O)N1CCC1)NC(=O)COC1CC[NH+](C)CC1 ZINC001273097861 816585890 /nfs/dbraw/zinc/58/58/90/816585890.db2.gz GGMLOKDTAGBJFI-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H](CC[NH2+]Cc1nnnn1C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001273184883 816602754 /nfs/dbraw/zinc/60/27/54/816602754.db2.gz UTAHQYHEVMOPEJ-QWHCGFSZSA-N 2 0 339.444 -0.837 20 0 EBADRP CCCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001273238149 816614923 /nfs/dbraw/zinc/61/49/23/816614923.db2.gz WBSRGWYFOVROHJ-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+]1CCC(OCC(=O)N2CCCCC[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC001088406818 816678212 /nfs/dbraw/zinc/67/82/12/816678212.db2.gz FXCFCQUHJOPPDX-CQSZACIVSA-N 2 0 340.468 -0.057 20 0 EBADRP CC[C@H](C(N)=O)[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273705273 816733814 /nfs/dbraw/zinc/73/38/14/816733814.db2.gz XPOLLKXSQYAAQB-CZUORRHYSA-N 2 0 326.441 -0.637 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCN(CC)C(=O)C12CC[NH+](CC1)C2 ZINC001273710308 816738111 /nfs/dbraw/zinc/73/81/11/816738111.db2.gz QBISQIWUIBBZRH-UHFFFAOYSA-N 2 0 339.440 -0.634 20 0 EBADRP CNC(=O)C(C)(C)[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273840290 816783535 /nfs/dbraw/zinc/78/35/35/816783535.db2.gz WEJPNVRJBMDLHJ-KRWDZBQOSA-N 2 0 340.468 -0.377 20 0 EBADRP CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001273899164 816803227 /nfs/dbraw/zinc/80/32/27/816803227.db2.gz UCUUEZVRWVHAMU-RRFJBIMHSA-N 2 0 341.452 -0.073 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001274034456 816844674 /nfs/dbraw/zinc/84/46/74/816844674.db2.gz FJJYUYDAWVXQSL-ZAGQHCIPSA-N 2 0 339.440 -0.567 20 0 EBADRP Cc1cncn1CC(=O)NC/C=C\C[NH2+]CC(=O)NC1CCOCC1 ZINC001274201681 816893831 /nfs/dbraw/zinc/89/38/31/816893831.db2.gz DBUJOVHTDNONBE-IHWYPQMZSA-N 2 0 349.435 -0.251 20 0 EBADRP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001274280794 816918101 /nfs/dbraw/zinc/91/81/01/816918101.db2.gz OVVXYDQJWOMEAE-STQMWFEESA-N 2 0 338.456 -0.223 20 0 EBADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC001274281265 816919302 /nfs/dbraw/zinc/91/93/02/816919302.db2.gz SJOSDILOQHYQSO-OLZOCXBDSA-N 2 0 344.481 -0.932 20 0 EBADRP CN(CC[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2)S(C)(=O)=O ZINC001274512101 816987959 /nfs/dbraw/zinc/98/79/59/816987959.db2.gz UYPAPEUXRNLBAB-ARJAWSKDSA-N 2 0 344.481 -0.764 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CC[N@H+](CCCF)C[C@H]2O)n1 ZINC001090270904 817212605 /nfs/dbraw/zinc/21/26/05/817212605.db2.gz CVSSEUNSTPGEKC-UKRRQHHQSA-N 2 0 341.431 -0.031 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H](C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001275538476 817247765 /nfs/dbraw/zinc/24/77/65/817247765.db2.gz GMALLYCEBXEWRL-CHWSQXEVSA-N 2 0 346.497 -0.496 20 0 EBADRP C[C@H](C[NH2+]CCCN(C)C(=O)[C@@H]1CN(C)CCO1)CS(C)(=O)=O ZINC001275931230 817318849 /nfs/dbraw/zinc/31/88/49/817318849.db2.gz UGXSNPNCYJZEBS-KGLIPLIRSA-N 2 0 349.497 -0.564 20 0 EBADRP CC1(C)C[N@H+](CCOCCO)C[C@@H]1NC(=O)CCN1CCOCC1 ZINC001276615977 817438999 /nfs/dbraw/zinc/43/89/99/817438999.db2.gz PYUUHOHVQYPFKX-HNNXBMFYSA-N 2 0 343.468 -0.456 20 0 EBADRP O=C(Cn1cccnc1=O)N1CCC2(C[NH+](CC3CC[NH2+]CC3)C2)C1 ZINC001276709691 817457819 /nfs/dbraw/zinc/45/78/19/817457819.db2.gz OEGVVZIOEBYIPW-UHFFFAOYSA-N 2 0 345.447 -0.223 20 0 EBADRP C[C@@H](CCC[NH2+]CC(=O)N(C)C1CC1)NC(=O)[C@H]1CN(C)CCO1 ZINC001277157057 817524088 /nfs/dbraw/zinc/52/40/88/817524088.db2.gz UGQHFMJNBBWWOK-DZGCQCFKSA-N 2 0 340.468 -0.188 20 0 EBADRP Cc1cncn1CC(=O)N[C@@H](C)CCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001277247507 817537757 /nfs/dbraw/zinc/53/77/57/817537757.db2.gz VYPUQARSHPMMEA-CMPLNLGQSA-N 2 0 338.412 -0.351 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCCOCCN(C)Cc2cn(C)nn2)CC[N@@H+]1C ZINC001277494933 817579252 /nfs/dbraw/zinc/57/92/52/817579252.db2.gz ZFYXMKXVQVHMKQ-UKRRQHHQSA-N 2 0 338.456 -0.280 20 0 EBADRP Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](O)C2)cn1 ZINC001090730020 817704775 /nfs/dbraw/zinc/70/47/75/817704775.db2.gz DPRQLNFLTSATRN-JKSUJKDBSA-N 2 0 347.463 -0.390 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001090957066 817828807 /nfs/dbraw/zinc/82/88/07/817828807.db2.gz UHSSXKBWQODHBK-WXRRBKDZSA-N 2 0 337.424 -0.883 20 0 EBADRP CN(C)C(=O)C[NH2+]CCOCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001279450583 817934061 /nfs/dbraw/zinc/93/40/61/817934061.db2.gz VFQCFJJHYIBYJE-UHFFFAOYSA-N 2 0 326.441 -0.765 20 0 EBADRP C[C@@H]([NH2+]C1CC(CNC(=O)c2cnn(CC[NH+](C)C)c2)C1)C(N)=O ZINC001091277391 817949666 /nfs/dbraw/zinc/94/96/66/817949666.db2.gz PQBICCRVMPPCPE-LKSINWNRSA-N 2 0 336.440 -0.584 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001091365199 817970626 /nfs/dbraw/zinc/97/06/26/817970626.db2.gz SJKFIHXQOJRPML-ROKHWSDSSA-N 2 0 336.436 -0.429 20 0 EBADRP CCNC(=O)C[NH2+]CCN(CCO)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001279736771 817978528 /nfs/dbraw/zinc/97/85/28/817978528.db2.gz FQOZLEPXXMTPRE-LSDHHAIUSA-N 2 0 340.468 -0.450 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001094220882 818180634 /nfs/dbraw/zinc/18/06/34/818180634.db2.gz BAJAPVIFBJCLOK-MGPQQGTHSA-N 2 0 336.436 -0.429 20 0 EBADRP CN(C[C@H]1CCN1C(=O)COCC[NH+](C)C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001282025572 818335419 /nfs/dbraw/zinc/33/54/19/818335419.db2.gz HXHCLXXDDRARNG-CABCVRRESA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]CCN1C(=O)CCC1=O ZINC001282185781 818373464 /nfs/dbraw/zinc/37/34/64/818373464.db2.gz QZQHQVUTFSGVQM-QWHCGFSZSA-N 2 0 338.452 -0.040 20 0 EBADRP C[NH+](C)C1(C(=O)NCCNC(=O)COC2CC[NH+](C)CC2)CCC1 ZINC001283064733 818621959 /nfs/dbraw/zinc/62/19/59/818621959.db2.gz MHOMUICXBRPYEG-UHFFFAOYSA-N 2 0 340.468 -0.186 20 0 EBADRP Cc1cc(CN(C)CCOCCNC(=O)[C@H]2CN(C)CCO2)on1 ZINC001283364154 818778152 /nfs/dbraw/zinc/77/81/52/818778152.db2.gz UOKAGMORPKPXMV-OAHLLOKOSA-N 2 0 340.424 -0.122 20 0 EBADRP C[N@H+](CCOCCNC(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CCCNC1=O ZINC001283389330 818790949 /nfs/dbraw/zinc/79/09/49/818790949.db2.gz WQKQKTSWROFWAW-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCN1C(=O)CCC1=O)[NH+](C)C ZINC001283631330 818888970 /nfs/dbraw/zinc/88/89/70/818888970.db2.gz JCORNMAFOBSQOV-QWHCGFSZSA-N 2 0 326.441 -0.088 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCN1CCNC1=O ZINC001096887953 818900044 /nfs/dbraw/zinc/90/00/44/818900044.db2.gz XZFJBWRUCPOYSI-KBXIAJHMSA-N 2 0 335.452 -0.173 20 0 EBADRP C[C@@H]1[C@H](C(=O)N2CCC([NH+](CCO)CCCO)CC2)CC[N@@H+]1C ZINC001098371640 819156126 /nfs/dbraw/zinc/15/61/26/819156126.db2.gz BXFCBUOZIKWZLW-GDBMZVCRSA-N 2 0 327.469 -0.006 20 0 EBADRP C[NH+](C)[C@@H](C(=O)N1CCC([N@H+](CCO)CC(N)=O)CC1)C1CC1 ZINC001098392260 819167510 /nfs/dbraw/zinc/16/75/10/819167510.db2.gz ORPMTDNHYXBOEG-OAHLLOKOSA-N 2 0 326.441 -0.903 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2CCNC2=O)C1 ZINC001098394959 819169146 /nfs/dbraw/zinc/16/91/46/819169146.db2.gz VDWNMUIHERHVER-TUVASFSCSA-N 2 0 335.452 -0.315 20 0 EBADRP COC[C@H](O)C[N@H+](CCO)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001098467458 819204071 /nfs/dbraw/zinc/20/40/71/819204071.db2.gz FEXRCBGLTUIRTE-OAHLLOKOSA-N 2 0 331.457 -0.769 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC([N@H+](CCO)CC(=O)N2CCC2)CC1 ZINC001098466461 819204827 /nfs/dbraw/zinc/20/48/27/819204827.db2.gz GCUKZWLWWIXIMD-UHFFFAOYSA-N 2 0 340.468 -0.544 20 0 EBADRP C[C@H](O)C[N@H+](CCO)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001098477587 819207967 /nfs/dbraw/zinc/20/79/67/819207967.db2.gz AVVZSQMVELMXDS-CABCVRRESA-N 2 0 327.469 -0.006 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](n2cc(C[NH2+]C[C@@H](C)O)nn2)C1 ZINC001098773433 819360701 /nfs/dbraw/zinc/36/07/01/819360701.db2.gz BSRZXAUVNRGEJR-HIFRSBDPSA-N 2 0 338.456 -0.136 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CC[C@H](n2cc(C[NH2+]CCCO)nn2)C1 ZINC001098779606 819364582 /nfs/dbraw/zinc/36/45/82/819364582.db2.gz IMKIVZKCQHBXME-HNNXBMFYSA-N 2 0 336.440 -0.381 20 0 EBADRP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](n2cc(C[NH2+]C[C@H](C)O)nn2)C1 ZINC001098789719 819368307 /nfs/dbraw/zinc/36/83/07/819368307.db2.gz IKYKRHVSNVQXDO-ZFWWWQNUSA-N 2 0 338.456 -0.138 20 0 EBADRP O=C(N[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCNC1=O)C2)C12CC[NH+](CC1)C2 ZINC001099122577 819421693 /nfs/dbraw/zinc/42/16/93/819421693.db2.gz APSIRAXQVMEETP-DEYYWGMASA-N 2 0 332.448 -0.059 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001285881325 819805423 /nfs/dbraw/zinc/80/54/23/819805423.db2.gz VLLKSLJQEBRPSA-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP COCCOCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099872115 819808419 /nfs/dbraw/zinc/80/84/19/819808419.db2.gz PCNHFWLETMZHHC-LSDHHAIUSA-N 2 0 343.468 -0.315 20 0 EBADRP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@H+](CCn3cncn3)C[C@@H]2O)CCC1 ZINC001099874989 819813534 /nfs/dbraw/zinc/81/35/34/819813534.db2.gz UCWHIIIAPFVXEM-KGLIPLIRSA-N 2 0 336.440 -0.686 20 0 EBADRP CN(CCC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O)c1cc[nH+]cc1 ZINC001099899573 819870735 /nfs/dbraw/zinc/87/07/35/819870735.db2.gz VNISVXFIZVBRGG-CVEARBPZSA-N 2 0 336.436 -0.158 20 0 EBADRP CC(C)(C(=O)N[C@H]1CC[N@H+](CCOCCO)C[C@H]1O)[NH+]1CCCC1 ZINC001099942334 819952427 /nfs/dbraw/zinc/95/24/27/819952427.db2.gz PZFRIKFSUZFIKK-LSDHHAIUSA-N 2 0 343.468 -0.579 20 0 EBADRP CCn1cc(CC[N@@H+]2CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C2)cn1 ZINC001099985446 819991074 /nfs/dbraw/zinc/99/10/74/819991074.db2.gz CLIXOEJBWZRYRU-JKSUJKDBSA-N 2 0 337.468 -0.051 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCCN2CCCC2=O)C[C@H]1O ZINC001099988351 819996208 /nfs/dbraw/zinc/99/62/08/819996208.db2.gz HENFDTLKDPJUPG-HUUCEWRRSA-N 2 0 340.468 -0.498 20 0 EBADRP O=C(CC[NH+]1CCCCC1)N[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1O ZINC001100127071 820259838 /nfs/dbraw/zinc/25/98/38/820259838.db2.gz RTLNUYMLLIEKCN-HOTGVXAUSA-N 2 0 343.468 -0.577 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCc2cnn(C)c2)C[C@@H]1O ZINC001100132651 820273289 /nfs/dbraw/zinc/27/32/89/820273289.db2.gz WZHDEXWJPBVFIE-CVEARBPZSA-N 2 0 337.468 -0.146 20 0 EBADRP CC(=O)NCCOCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001100187837 820307904 /nfs/dbraw/zinc/30/79/04/820307904.db2.gz OWIZQNYSWWBBRG-GPANFISMSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)C1(C(=O)NCC2CC([NH2+]CCS(C)(=O)=O)C2)CCC1 ZINC001100406045 820406182 /nfs/dbraw/zinc/40/61/82/820406182.db2.gz YREXBMQPWKOQHA-UHFFFAOYSA-N 2 0 331.482 0.000 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCC1CC([NH2+]CCNS(C)(=O)=O)C1)C1CC1 ZINC001100407874 820406965 /nfs/dbraw/zinc/40/69/65/820406965.db2.gz MXYZJIAUAOXIRR-UXUKBGGZSA-N 2 0 346.497 -0.640 20 0 EBADRP C[C@@H]([NH2+]C1CC(CNC(=O)C[N@H+](C)C2CCC2)C1)C(=O)NC(N)=O ZINC001100411558 820408605 /nfs/dbraw/zinc/40/86/05/820408605.db2.gz GEMCUHKJQNSGKF-VOMCLLRMSA-N 2 0 339.440 -0.462 20 0 EBADRP C[C@@H]([NH2+]C1CC(CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1)C(N)=O ZINC001100443535 820423779 /nfs/dbraw/zinc/42/37/79/820423779.db2.gz MILPSUVLXUXNOT-IYXRBSQSSA-N 2 0 340.468 -0.297 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100619656 820488724 /nfs/dbraw/zinc/48/87/24/820488724.db2.gz AMYUVQCOGZDYJH-UHFFFAOYSA-N 2 0 341.456 -0.342 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C1CC(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001100676367 820507389 /nfs/dbraw/zinc/50/73/89/820507389.db2.gz MHUHVYUMSCUFFY-HIFPTAJRSA-N 2 0 339.440 -0.589 20 0 EBADRP Nc1ncn(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC001292313618 820531839 /nfs/dbraw/zinc/53/18/39/820531839.db2.gz FFILGNLFTMZOLI-UHFFFAOYSA-N 2 0 344.423 -0.416 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1CC([NH2+]CC(=O)NCCCOC)C1 ZINC001100769375 820546806 /nfs/dbraw/zinc/54/68/06/820546806.db2.gz HGBHAKGDLLFGMI-UHFFFAOYSA-N 2 0 342.484 -0.035 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1CC([NH2+]CCNS(=O)(=O)CC)C1 ZINC001100770955 820547697 /nfs/dbraw/zinc/54/76/97/820547697.db2.gz RPRWVPHERBDZCQ-UHFFFAOYSA-N 2 0 348.513 -0.248 20 0 EBADRP CC[NH+](CC)CC(=O)NCC1CC([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001100770987 820547959 /nfs/dbraw/zinc/54/79/59/820547959.db2.gz SUKRCVVCPKPCBF-VOMCLLRMSA-N 2 0 327.429 -0.604 20 0 EBADRP C[C@H]([NH2+]C1CC(CNC(=O)COC2CC[NH+](C)CC2)C1)C(N)=O ZINC001100800022 820555549 /nfs/dbraw/zinc/55/55/49/820555549.db2.gz RPQVTRFOUPHRFK-HIFPTAJRSA-N 2 0 326.441 -0.545 20 0 EBADRP CC[C@H](C)NC(=O)C[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100870513 820585300 /nfs/dbraw/zinc/58/53/00/820585300.db2.gz HSPNPIGUGWUPRF-NFOMZHRRSA-N 2 0 342.484 -0.036 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCC2CC([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001100873095 820586928 /nfs/dbraw/zinc/58/69/28/820586928.db2.gz URRIOSKBRHPFHZ-IYXRBSQSSA-N 2 0 331.482 -0.143 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC1CC([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001100899814 820594375 /nfs/dbraw/zinc/59/43/75/820594375.db2.gz BUTGKPLLHUDFNI-PNESKVBLSA-N 2 0 341.456 -0.214 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+]C[C@@H](O)COCCOC)C1 ZINC001100901537 820594504 /nfs/dbraw/zinc/59/45/04/820594504.db2.gz BMYCHNKRQQHXRN-UYSNPLJNSA-N 2 0 345.484 -0.164 20 0 EBADRP CN1CCC[C@H]1c1cc(C(=O)NCCNC(=O)CC[NH+](C)C)[nH]n1 ZINC001292842834 820631055 /nfs/dbraw/zinc/63/10/55/820631055.db2.gz AXNGKPRAQLCELZ-AWEZNQCLSA-N 2 0 336.440 -0.026 20 0 EBADRP C[C@H](COCC(=O)NCCNC(=O)[C@H]1CCC[N@@H+]1C)[NH+]1CCCC1 ZINC001293040727 820695526 /nfs/dbraw/zinc/69/55/26/820695526.db2.gz VZEZNBWMJLZZNM-HUUCEWRRSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CCC(C(C)(C)C[NH2+]CC(N)=O)CC1 ZINC001101589702 820820369 /nfs/dbraw/zinc/82/03/69/820820369.db2.gz ZXSBEICPECJOFO-UHFFFAOYSA-N 2 0 342.484 -0.096 20 0 EBADRP CNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101819855 820924804 /nfs/dbraw/zinc/92/48/04/820924804.db2.gz WHSWLIVFUJPFPY-JHJVBQTASA-N 2 0 339.440 -0.780 20 0 EBADRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(=O)NC)C[C@H]1C)[NH+](C)C ZINC001102088103 821021395 /nfs/dbraw/zinc/02/13/95/821021395.db2.gz MMKLEBTXQDWBAR-JHJVBQTASA-N 2 0 341.456 -0.534 20 0 EBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001102090771 821024215 /nfs/dbraw/zinc/02/42/15/821024215.db2.gz CORCWBRFLOVXAZ-UPJWGTAASA-N 2 0 339.440 -0.650 20 0 EBADRP CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102318622 821070327 /nfs/dbraw/zinc/07/03/27/821070327.db2.gz BEYRISZQYWRCGU-CHWSQXEVSA-N 2 0 341.456 -0.532 20 0 EBADRP C[C@@H]1CCC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102366373 821080829 /nfs/dbraw/zinc/08/08/29/821080829.db2.gz CIRORVFCUJEDHB-JHJVBQTASA-N 2 0 339.440 -0.650 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1C ZINC001102525128 821138606 /nfs/dbraw/zinc/13/86/06/821138606.db2.gz MCQALWWIJUCKCW-ZIAGYGMSSA-N 2 0 348.513 -0.439 20 0 EBADRP CNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580681 821162615 /nfs/dbraw/zinc/16/26/15/821162615.db2.gz GYLQLRMSBPIMEN-RBSFLKMASA-N 2 0 340.468 -0.615 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001102581029 821163083 /nfs/dbraw/zinc/16/30/83/821163083.db2.gz WBXDLOSCNRMMGR-MGPQQGTHSA-N 2 0 326.441 -0.876 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+]([C@H]2CCC(=O)NC2=O)C[C@H]1C ZINC001102600473 821170216 /nfs/dbraw/zinc/17/02/16/821170216.db2.gz HFBKCGZVXDSIAA-MCIONIFRSA-N 2 0 338.452 -0.184 20 0 EBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)[C@H]1CCC[NH+]1C ZINC001102782765 821211892 /nfs/dbraw/zinc/21/18/92/821211892.db2.gz PWVUFDIHFNILRR-JHJVBQTASA-N 2 0 339.440 -0.650 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001103612536 821331435 /nfs/dbraw/zinc/33/14/35/821331435.db2.gz HSSUEYKQYAZEHW-CHWSQXEVSA-N 2 0 341.456 -0.403 20 0 EBADRP CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642176 821335190 /nfs/dbraw/zinc/33/51/90/821335190.db2.gz SUHNDNRPPIMXRM-ZIAGYGMSSA-N 2 0 328.457 -0.615 20 0 EBADRP C[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001103718738 821345724 /nfs/dbraw/zinc/34/57/24/821345724.db2.gz CUHQCTQLHRDROM-JHJVBQTASA-N 2 0 339.440 -0.793 20 0 EBADRP C[NH+](C)CCC(=O)NCc1cccc(N2CC[C@H]([NH2+]CC(N)=O)C2)n1 ZINC001127852123 828339472 /nfs/dbraw/zinc/33/94/72/828339472.db2.gz KKXUARYVGVHIAE-AWEZNQCLSA-N 2 0 348.451 -0.697 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCOC2(CCC([NH2+]CC(N)=O)CC2)C1 ZINC001105485739 821760892 /nfs/dbraw/zinc/76/08/92/821760892.db2.gz XIZVFAJTZYYRKD-UHFFFAOYSA-N 2 0 340.468 -0.057 20 0 EBADRP CC[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)CC(=O)NC(N)=O ZINC001316893330 821908276 /nfs/dbraw/zinc/90/82/76/821908276.db2.gz RDTBCTYNPUHVDO-ZDUSSCGKSA-N 2 0 339.440 -0.649 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH2+]CCN3C(=O)CNC3=O)C2)CC1 ZINC001317084317 821997963 /nfs/dbraw/zinc/99/79/63/821997963.db2.gz IAYNCGNJULQVAD-HAQNSBGRSA-N 2 0 337.424 -0.883 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@H](C[NH2+]CCN2CCCS2(=O)=O)C1 ZINC001317335594 822086212 /nfs/dbraw/zinc/08/62/12/822086212.db2.gz RPJAGGHVJZYCHM-AWEZNQCLSA-N 2 0 346.497 -0.588 20 0 EBADRP CC(C)[C@H](C(=O)N(C)CC[NH2+]CC(=O)N1CCOCC1)[NH+](C)C ZINC001317626118 822184277 /nfs/dbraw/zinc/18/42/77/822184277.db2.gz KWYJOLACEQLTEL-OAHLLOKOSA-N 2 0 328.457 -0.521 20 0 EBADRP CN(CC[NH2+]CC(=O)NC[C@H]1CCOC1)C(=O)C[NH+]1CCCC1 ZINC001317660224 822195244 /nfs/dbraw/zinc/19/52/44/822195244.db2.gz AZIGNWUDJCUQME-CQSZACIVSA-N 2 0 326.441 -0.717 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)[C@H]2CCC(=O)NC2=O)C1 ZINC001317861315 822226863 /nfs/dbraw/zinc/22/68/63/822226863.db2.gz OFEHXZAZELGNAX-KGLIPLIRSA-N 2 0 338.452 -0.086 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC)[C@H](C)C1)[NH+](C)C ZINC001106313297 822246509 /nfs/dbraw/zinc/24/65/09/822246509.db2.gz WBPLFLHJPPSVFS-JHJVBQTASA-N 2 0 341.456 -0.534 20 0 EBADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001106665027 822308470 /nfs/dbraw/zinc/30/84/70/822308470.db2.gz FVGKUCNAUIAMKY-FRRDWIJNSA-N 2 0 339.440 -0.650 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NC(=O)NC)[C@H](C)C1 ZINC001106778290 822329125 /nfs/dbraw/zinc/32/91/25/822329125.db2.gz CNWFYPYJQKCHRU-CHWSQXEVSA-N 2 0 341.456 -0.532 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C[NH2+]Cc1nncn1C ZINC001106877792 822347106 /nfs/dbraw/zinc/34/71/06/822347106.db2.gz ADZMIIIYSVLZJT-ZIAGYGMSSA-N 2 0 338.456 -0.423 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106878325 822347149 /nfs/dbraw/zinc/34/71/49/822347149.db2.gz MGKYIPPIRALQPB-RBSFLKMASA-N 2 0 331.457 -0.744 20 0 EBADRP C[NH+](C)CCC(=O)N[C@H]1CCN(c2cccc(C[NH2+]CCO)n2)C1 ZINC001128126958 828418581 /nfs/dbraw/zinc/41/85/81/828418581.db2.gz VATZLNKBKGKLJX-HNNXBMFYSA-N 2 0 335.452 -0.190 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](F)C[NH+](CC)CC ZINC001128527860 828470459 /nfs/dbraw/zinc/47/04/59/828470459.db2.gz DKTSWAYPBGBFCD-NWDGAFQWSA-N 2 0 347.435 -0.394 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001128533775 828471057 /nfs/dbraw/zinc/47/10/57/828471057.db2.gz RTKVPIASQJGQPG-GFCCVEGCSA-N 2 0 345.419 -0.640 20 0 EBADRP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001128553348 828473805 /nfs/dbraw/zinc/47/38/05/828473805.db2.gz VUVNBMBUTLZVDN-KBPBESRZSA-N 2 0 329.420 -0.370 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NC1CCOCC1 ZINC001128774228 828524484 /nfs/dbraw/zinc/52/44/84/828524484.db2.gz PLUKMFOWDSPVOC-OAHLLOKOSA-N 2 0 340.468 -0.138 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)COCCOC ZINC001128786180 828526523 /nfs/dbraw/zinc/52/65/23/828526523.db2.gz SHNIHCZSLZXDAM-LSDHHAIUSA-N 2 0 331.457 -0.410 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](C[C@H](C)O)C[C@@H]1n1ccnn1 ZINC001129084322 828568435 /nfs/dbraw/zinc/56/84/35/828568435.db2.gz HRMQRDYJDKIFMB-MJBXVCDLSA-N 2 0 338.456 -0.269 20 0 EBADRP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@@H]2n2ccnn2)CC1 ZINC001129209534 828580407 /nfs/dbraw/zinc/58/04/07/828580407.db2.gz IZNKKCUIEADBML-KGLIPLIRSA-N 2 0 336.440 -0.656 20 0 EBADRP CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129204855 828580432 /nfs/dbraw/zinc/58/04/32/828580432.db2.gz MYGOSNMGRPZZBS-ZNMIVQPWSA-N 2 0 338.456 -0.004 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCNC(=O)C2([NH+](C)C)CCC2)C[C@@H](C)O1 ZINC001129364647 828606205 /nfs/dbraw/zinc/60/62/05/828606205.db2.gz YVFSIWIETANOJE-ZIAGYGMSSA-N 2 0 340.468 -0.188 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001129421890 828615398 /nfs/dbraw/zinc/61/53/98/828615398.db2.gz DNRYBNNCXPOEGX-ZDUSSCGKSA-N 2 0 339.440 -0.493 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001129416167 828615860 /nfs/dbraw/zinc/61/58/60/828615860.db2.gz FPBLKCOZQURXBK-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(=O)NC(N)=O ZINC001129418944 828616072 /nfs/dbraw/zinc/61/60/72/828616072.db2.gz YTRQFAUBXXMQRR-WCQYABFASA-N 2 0 339.440 -0.317 20 0 EBADRP Cn1ccc(N2CC[C@@H]([NH2+]CCNC(=O)[C@@H](C3CC3)[NH+](C)C)C2=O)n1 ZINC001129442734 828619730 /nfs/dbraw/zinc/61/97/30/828619730.db2.gz DWEAVLXTWRENOQ-UKRRQHHQSA-N 2 0 348.451 -0.429 20 0 EBADRP COCCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129442697 828620552 /nfs/dbraw/zinc/62/05/52/828620552.db2.gz DDMSVYRRGXHZSK-AWEZNQCLSA-N 2 0 349.497 -0.516 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F)C1CC1 ZINC001129443124 828620593 /nfs/dbraw/zinc/62/05/93/828620593.db2.gz IHUWHPGADYGTJH-VXGBXAGGSA-N 2 0 341.374 -0.028 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1)C1CC1 ZINC001129442433 828620675 /nfs/dbraw/zinc/62/06/75/828620675.db2.gz ACRNTQLMWNTDOR-WFASDCNBSA-N 2 0 326.441 -0.815 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1)C1CC1 ZINC001129442428 828620685 /nfs/dbraw/zinc/62/06/85/828620685.db2.gz ACRNTQLMWNTDOR-DOMZBBRYSA-N 2 0 326.441 -0.815 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C)C(=O)NC(=O)NC1CC1 ZINC001129454504 828622607 /nfs/dbraw/zinc/62/26/07/828622607.db2.gz JVNKVRMUSSSWFH-MFKMUULPSA-N 2 0 339.440 -0.591 20 0 EBADRP C[NH+](C)CCOCC(=O)NC[C@@]1(C)C[N@H+](C[C@@H]2CCOC2)CCO1 ZINC001108342199 824228309 /nfs/dbraw/zinc/22/83/09/824228309.db2.gz CPBCVQLLARNERS-RDJZCZTQSA-N 2 0 343.468 -0.192 20 0 EBADRP C[NH+](C)CCOCC(=O)NC[C@]1(C)C[N@H+](C[C@H]2CCOC2)CCO1 ZINC001108342196 824229473 /nfs/dbraw/zinc/22/94/73/824229473.db2.gz CPBCVQLLARNERS-NVXWUHKLSA-N 2 0 343.468 -0.192 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129535096 828632316 /nfs/dbraw/zinc/63/23/16/828632316.db2.gz IZUXWWCMUFHLTR-LBPRGKRZSA-N 2 0 341.456 -0.201 20 0 EBADRP CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO ZINC001109671419 824582831 /nfs/dbraw/zinc/58/28/31/824582831.db2.gz HWNXMZUHGZWWBE-UGUYLWEFSA-N 2 0 349.435 -0.439 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129849630 828681523 /nfs/dbraw/zinc/68/15/23/828681523.db2.gz NWHVDXKWJCGRNM-STQMWFEESA-N 2 0 341.456 -0.199 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129849424 828681751 /nfs/dbraw/zinc/68/17/51/828681751.db2.gz DXIMLBFWVRRPIB-AWEZNQCLSA-N 2 0 328.457 -0.281 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129841934 828680084 /nfs/dbraw/zinc/68/00/84/828680084.db2.gz RBGPJXQTXFFSAT-GJZGRUSLSA-N 2 0 331.457 -0.410 20 0 EBADRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001129855465 828681426 /nfs/dbraw/zinc/68/14/26/828681426.db2.gz FCTMVJFWKHCORQ-ZDUSSCGKSA-N 2 0 339.440 -0.445 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O)[NH+](C)C ZINC001129946994 828698863 /nfs/dbraw/zinc/69/88/63/828698863.db2.gz DPEPAPODKLRUEK-ZFWWWQNUSA-N 2 0 328.457 -0.738 20 0 EBADRP CC(C)[C@@H](C(=O)NCC[NH2+]CC(=O)NC(=O)NC(C)(C)C)[NH+](C)C ZINC001129949897 828699578 /nfs/dbraw/zinc/69/95/78/828699578.db2.gz JSXAPXSSIRHGHJ-ZDUSSCGKSA-N 2 0 343.472 -0.097 20 0 EBADRP COCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1n1ccnn1 ZINC001129983118 828707776 /nfs/dbraw/zinc/70/77/76/828707776.db2.gz NBZUMITVYBPKSL-KGLIPLIRSA-N 2 0 336.440 -0.392 20 0 EBADRP COCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086288 828730700 /nfs/dbraw/zinc/73/07/00/828730700.db2.gz UIUDUFXSAREPIW-KFWWJZLASA-N 2 0 336.440 -0.392 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130187600 828751222 /nfs/dbraw/zinc/75/12/22/828751222.db2.gz ZITCIACFTPVQJE-CABCVRRESA-N 2 0 340.468 -0.138 20 0 EBADRP CC[C@H](C(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1)[NH+](C)C ZINC001130204852 828755161 /nfs/dbraw/zinc/75/51/61/828755161.db2.gz AYOATRFPCVEVHI-UKRRQHHQSA-N 2 0 331.457 -0.411 20 0 EBADRP C[NH+](C)CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCF)[nH]1 ZINC001130234913 828763437 /nfs/dbraw/zinc/76/34/37/828763437.db2.gz PAVSPLBEFVDMHD-RYUDHWBXSA-N 2 0 342.419 -0.196 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130306103 828778517 /nfs/dbraw/zinc/77/85/17/828778517.db2.gz ROGJTYSTXTYZST-STQMWFEESA-N 2 0 341.456 -0.201 20 0 EBADRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1CN(C(=O)COCC[NH+](C)C)C2)C(N)=O ZINC001112563554 825456916 /nfs/dbraw/zinc/45/69/16/825456916.db2.gz ATVLJUHRWIFOHD-KEYYUXOJSA-N 2 0 340.468 -0.343 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001130427099 828832320 /nfs/dbraw/zinc/83/23/20/828832320.db2.gz IYUKXZUCFHMXHO-AWEZNQCLSA-N 2 0 345.484 -0.021 20 0 EBADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1[C@H]2C[NH+](CCOCCO)C[C@H]21 ZINC001114425649 826244116 /nfs/dbraw/zinc/24/41/16/826244116.db2.gz FJSJSWABJQFZRV-AIANPOQGSA-N 2 0 325.453 -0.084 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001179925284 833026074 /nfs/dbraw/zinc/02/60/74/833026074.db2.gz OGQKURPLTCKAEW-XQQFMLRXSA-N 2 0 339.440 -0.637 20 0 EBADRP C[C@H]1[C@@H]([NH2+]CCS(C)(=O)=O)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001179924911 833026306 /nfs/dbraw/zinc/02/63/06/833026306.db2.gz GQKMTVOCCGMZJW-MJBXVCDLSA-N 2 0 331.482 -0.048 20 0 EBADRP CCN(C)C(=O)C[NH2+][C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C ZINC001179929196 833027175 /nfs/dbraw/zinc/02/71/75/833027175.db2.gz GVOVPUYIMIVSLI-KBPBESRZSA-N 2 0 328.457 -0.378 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCCCCC[NH2+]CC(=O)NC(N)=O ZINC001180060763 833038991 /nfs/dbraw/zinc/03/89/91/833038991.db2.gz OFQOXSRGHRTXSA-UHFFFAOYSA-N 2 0 345.444 -0.974 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](CCOCCNC(C)=O)C[C@H]21 ZINC001115161842 826435816 /nfs/dbraw/zinc/43/58/16/826435816.db2.gz NTVNRRHNQBBPKK-QLPKVWCKSA-N 2 0 340.468 -0.473 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCN(C)S(C)(=O)=O)[C@@H]1C ZINC001180226974 833059856 /nfs/dbraw/zinc/05/98/56/833059856.db2.gz WLFXNWXEOCRGMI-KBPBESRZSA-N 2 0 348.513 -0.203 20 0 EBADRP O=C(CCC[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115292751 826497864 /nfs/dbraw/zinc/49/78/64/826497864.db2.gz USCBUFYPMMYFJD-OEUWWYETSA-N 2 0 348.447 -0.286 20 0 EBADRP NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CCCCC1 ZINC001115546195 826556123 /nfs/dbraw/zinc/55/61/23/826556123.db2.gz GYNDJHOSIICDNX-KBPBESRZSA-N 2 0 338.452 -0.256 20 0 EBADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCCC[NH+]1CCC(O)CC1 ZINC001118200669 826875105 /nfs/dbraw/zinc/87/51/05/826875105.db2.gz OGZGZBKXGVPZQG-CQSZACIVSA-N 2 0 326.441 -0.792 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@]1(C)C[NH2+]CC(=O)NC(N)=O ZINC001180898859 833121170 /nfs/dbraw/zinc/12/11/70/833121170.db2.gz FPFIFHXAWSGHFV-BFQNTYOBSA-N 2 0 339.440 -0.650 20 0 EBADRP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[C@H]1[NH3+] ZINC001118491460 826941849 /nfs/dbraw/zinc/94/18/49/826941849.db2.gz WFCRUSIYWFNEAO-BPLDGKMQSA-N 2 0 338.452 -0.448 20 0 EBADRP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC001118929277 827027562 /nfs/dbraw/zinc/02/75/62/827027562.db2.gz XNWYZKARXCNDLR-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCCCC[NH3+])C[C@H]1C[NH+](C)C ZINC001119418576 827107121 /nfs/dbraw/zinc/10/71/21/827107121.db2.gz QSWQOOCWRCIEDE-ZIAGYGMSSA-N 3 0 327.473 -0.961 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1)C[NH+](C)C ZINC001119846210 827152438 /nfs/dbraw/zinc/15/24/38/827152438.db2.gz NOERBDDRGBOBDJ-UONOGXRCSA-N 2 0 328.457 -0.521 20 0 EBADRP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001120419758 827215687 /nfs/dbraw/zinc/21/56/87/827215687.db2.gz BOPSHVANJGBZLN-CABCVRRESA-N 2 0 339.484 -0.898 20 0 EBADRP CCCN(C(=O)C(=O)NC[C@H](C[NH+](C)C)OCC)[C@@H]1CC[NH2+]C1 ZINC001120444771 827223390 /nfs/dbraw/zinc/22/33/90/827223390.db2.gz ZZIWBJLOCZRRJJ-ZIAGYGMSSA-N 2 0 328.457 -0.330 20 0 EBADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC[S@](=O)CC(F)(F)F)CC1 ZINC001120521551 827239625 /nfs/dbraw/zinc/23/96/25/827239625.db2.gz NXBWYMODNUNGDU-FIKIJFGZSA-N 2 0 331.404 -0.505 20 0 EBADRP C[NH2+]CCOCCN(C)C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001120652316 827252467 /nfs/dbraw/zinc/25/24/67/827252467.db2.gz DFNOCPRDHHHHMG-ZDUSSCGKSA-N 2 0 342.440 -0.451 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001181651391 833171223 /nfs/dbraw/zinc/17/12/23/833171223.db2.gz BUEUMDZJOYXTOD-KGLIPLIRSA-N 2 0 346.497 -0.400 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C1(C[NH3+])CC(O)C1 ZINC001121916737 827480674 /nfs/dbraw/zinc/48/06/74/827480674.db2.gz JAKIPFSAOVSSKG-MFOWVQHXSA-N 2 0 326.441 -0.855 20 0 EBADRP CC[NH+]1CCN(CCCNC(=O)CCNC(=O)[C@H]([NH3+])C(C)C)CC1 ZINC001122009436 827501439 /nfs/dbraw/zinc/50/14/39/827501439.db2.gz PBWDLLTZZQIUET-MRXNPFEDSA-N 2 0 341.500 -0.380 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211089855 837385600 /nfs/dbraw/zinc/38/56/00/837385600.db2.gz BBRARURLHPYWRW-CHWSQXEVSA-N 2 0 339.440 -0.493 20 0 EBADRP NC(=O)NC(=O)C[NH2+]C1CC2(CC(NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001122064216 827513478 /nfs/dbraw/zinc/51/34/78/827513478.db2.gz WHOWYYBREDAIRC-UHFFFAOYSA-N 2 0 349.435 -0.706 20 0 EBADRP CC[C@@H]([NH2+]C1CC2(CC(NC(=O)COCC[NH+](C)C)C2)C1)C(N)=O ZINC001122063999 827513960 /nfs/dbraw/zinc/51/39/60/827513960.db2.gz STGDQXANZLFGEO-OPFKTAGGSA-N 2 0 340.468 -0.155 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@]1(C)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001182480807 833235668 /nfs/dbraw/zinc/23/56/68/833235668.db2.gz WQZHPAIJSNGKSZ-PBFPGSCMSA-N 2 0 338.452 -0.183 20 0 EBADRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC001123548902 827715288 /nfs/dbraw/zinc/71/52/88/827715288.db2.gz CXJXYVIWFJVRGN-KFWWJZLASA-N 2 0 337.468 -0.922 20 0 EBADRP Cc1nnc(NC(=O)C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)s1 ZINC001124872234 827972145 /nfs/dbraw/zinc/97/21/45/827972145.db2.gz BJPAKVMUAGZAGE-SNVBAGLBSA-N 2 0 326.426 -0.415 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001124879297 827973374 /nfs/dbraw/zinc/97/33/74/827973374.db2.gz RHHLOPASKSSIEH-GHMZBOCLSA-N 2 0 327.347 -0.274 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001183266848 833285038 /nfs/dbraw/zinc/28/50/38/833285038.db2.gz GPUSDVKXUKYGFV-TZMCWYRMSA-N 2 0 339.440 -0.637 20 0 EBADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@]1(C)C[NH2+]Cc1nnnn1C ZINC001183398805 833289277 /nfs/dbraw/zinc/28/92/77/833289277.db2.gz IKQFRAPHAQRAHK-XJKCOSOUSA-N 2 0 335.456 -0.264 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC001127066738 828246764 /nfs/dbraw/zinc/24/67/64/828246764.db2.gz RSXHURWPWYSUGH-CABCVRRESA-N 2 0 340.468 -0.140 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001127081743 828248517 /nfs/dbraw/zinc/24/85/17/828248517.db2.gz AKGKMKFGIMSCQX-CYBMUJFWSA-N 2 0 339.440 -0.493 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127082434 828249496 /nfs/dbraw/zinc/24/94/96/828249496.db2.gz QQPWUIJWKHGLAD-CYBMUJFWSA-N 2 0 334.486 -0.496 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127257198 828269542 /nfs/dbraw/zinc/26/95/42/828269542.db2.gz WGYPUHXWGNZQTM-STQMWFEESA-N 2 0 339.440 -0.588 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001183978735 833315174 /nfs/dbraw/zinc/31/51/74/833315174.db2.gz YVEZTGKAPQCSJF-LLVKDONJSA-N 2 0 330.348 -0.667 20 0 EBADRP CC[C@H]([NH2+]CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C(N)=O ZINC001127570938 828303355 /nfs/dbraw/zinc/30/33/55/828303355.db2.gz GQYBSCKCHSFLEY-ILXRZTDVSA-N 2 0 340.468 -0.297 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NCC[NH2+]CC(=O)NCC2CC2)n1 ZINC001127575908 828303761 /nfs/dbraw/zinc/30/37/61/828303761.db2.gz DTIZLIYDOVSKFR-UHFFFAOYSA-N 2 0 336.440 -0.710 20 0 EBADRP CCCCNC(=O)C[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127576651 828304833 /nfs/dbraw/zinc/30/48/33/828304833.db2.gz VLUYJUVZBWFEKV-UHFFFAOYSA-N 2 0 338.456 -0.320 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)CC[N@@H+]1C ZINC001127638522 828310154 /nfs/dbraw/zinc/31/01/54/828310154.db2.gz LGAMAAREQOXODS-HZSPNIEDSA-N 2 0 346.497 -0.686 20 0 EBADRP CCOCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127659445 828312460 /nfs/dbraw/zinc/31/24/60/828312460.db2.gz AWQOCZYGIAFLFD-RBSFLKMASA-N 2 0 342.484 -0.036 20 0 EBADRP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NC2CCOCC2)CC[N@@H+]1C ZINC001127685211 828314477 /nfs/dbraw/zinc/31/44/77/828314477.db2.gz IENPRAKUPGTYHO-TZMCWYRMSA-N 2 0 326.441 -0.672 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C)CC[N@@H+]1C ZINC001127701072 828317049 /nfs/dbraw/zinc/31/70/49/828317049.db2.gz HJNBHTBSHAUPMU-UONOGXRCSA-N 2 0 348.513 -0.296 20 0 EBADRP CCN(C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC1 ZINC001127760204 828319761 /nfs/dbraw/zinc/31/97/61/828319761.db2.gz GIMNJRPFMFPEQJ-HUUCEWRRSA-N 2 0 338.452 -0.434 20 0 EBADRP COc1ncc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C)n1 ZINC001127777691 828324625 /nfs/dbraw/zinc/32/46/25/828324625.db2.gz BFYCJIXQQKCSOI-CABCVRRESA-N 2 0 349.435 -0.137 20 0 EBADRP Cc1noc(CCC[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001127779551 828327129 /nfs/dbraw/zinc/32/71/29/828327129.db2.gz NUOQTIYJDSGICD-KBPBESRZSA-N 2 0 337.424 -0.120 20 0 EBADRP NC(=O)c1ccc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC001127779876 828328426 /nfs/dbraw/zinc/32/84/26/828328426.db2.gz RYOIDVOJLXLVON-HZPDHXFCSA-N 2 0 346.431 -0.146 20 0 EBADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1)C(=O)NC(N)=O ZINC001184309261 833326670 /nfs/dbraw/zinc/32/66/70/833326670.db2.gz BKPMZQYHMGZQEN-CMPLNLGQSA-N 2 0 344.375 -0.278 20 0 EBADRP CN(CCC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O)c1cc[nH+]cc1 ZINC001130559016 828883625 /nfs/dbraw/zinc/88/36/25/828883625.db2.gz ZLVICHXROAVULA-ZDUSSCGKSA-N 2 0 333.392 -0.581 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001130708803 828920032 /nfs/dbraw/zinc/92/00/32/828920032.db2.gz IPQLFDNPVVGWKG-AWEZNQCLSA-N 2 0 348.513 -0.248 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001130711216 828920588 /nfs/dbraw/zinc/92/05/88/828920588.db2.gz QZWKPUQDLABDKB-GFCCVEGCSA-N 2 0 327.429 -0.732 20 0 EBADRP C[NH+](C)C1(CC(=O)N2CC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CCCC1 ZINC001184628297 833335937 /nfs/dbraw/zinc/33/59/37/833335937.db2.gz HYIATPIXAZTYKZ-GFCCVEGCSA-N 2 0 339.440 -0.364 20 0 EBADRP O=C(NCC[NH2+]CCN1CCCS1(=O)=O)C12CCC[NH+]1CCC2 ZINC001130805582 828943598 /nfs/dbraw/zinc/94/35/98/828943598.db2.gz BUMBACRBYFOOBC-UHFFFAOYSA-N 2 0 344.481 -0.644 20 0 EBADRP C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)C(=O)NC(N)=O ZINC001184962163 833344217 /nfs/dbraw/zinc/34/42/17/833344217.db2.gz QSODTFZZKLUTLV-UTUOFQBUSA-N 2 0 325.413 -0.755 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130868077 828983374 /nfs/dbraw/zinc/98/33/74/828983374.db2.gz YYOGMHOONGNPGC-UHFFFAOYSA-N 2 0 332.364 -0.501 20 0 EBADRP O=C(NCC[NH2+]CCCN1C(=O)CNC1=O)c1ccn2c[nH+]cc2c1 ZINC001130874634 828985708 /nfs/dbraw/zinc/98/57/08/828985708.db2.gz HNIOADJFHIBZGX-UHFFFAOYSA-N 2 0 344.375 -0.404 20 0 EBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001185083574 833346386 /nfs/dbraw/zinc/34/63/86/833346386.db2.gz GYIGQLVWAVKREK-KBPBESRZSA-N 2 0 348.513 -0.439 20 0 EBADRP CNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC001185109098 833346621 /nfs/dbraw/zinc/34/66/21/833346621.db2.gz CKIMDRTWKCJKKX-HIFRSBDPSA-N 2 0 338.452 -0.434 20 0 EBADRP C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001185085887 833346677 /nfs/dbraw/zinc/34/66/77/833346677.db2.gz NMEIQTBIIZXQME-NWDGAFQWSA-N 2 0 327.429 -0.793 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CC[C@@H]([NH2+]C[C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001185229910 833350534 /nfs/dbraw/zinc/35/05/34/833350534.db2.gz JBZDLLPESQSBCD-UONOGXRCSA-N 2 0 343.493 -0.047 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185265065 833353063 /nfs/dbraw/zinc/35/30/63/833353063.db2.gz LPIKWTBIJVXSJQ-CYBMUJFWSA-N 2 0 334.486 -0.542 20 0 EBADRP O=C(C[NH2+]CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1)N1CCC1 ZINC001131196795 829069973 /nfs/dbraw/zinc/06/99/73/829069973.db2.gz YFAKTCBOLFFXJL-UHFFFAOYSA-N 2 0 328.376 -0.181 20 0 EBADRP C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CC[C@H]1C[NH2+]CC(N)=O ZINC001185381251 833357222 /nfs/dbraw/zinc/35/72/22/833357222.db2.gz OPTMBUKIRALPLW-KBPBESRZSA-N 2 0 340.468 -0.343 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001185650895 833365121 /nfs/dbraw/zinc/36/51/21/833365121.db2.gz QDGRWKXVNADDHQ-QWHCGFSZSA-N 2 0 332.470 -0.790 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001185446581 833358772 /nfs/dbraw/zinc/35/87/72/833358772.db2.gz OSVALECWOZDDTO-GDBMZVCRSA-N 2 0 342.484 -0.084 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001185445403 833358814 /nfs/dbraw/zinc/35/88/14/833358814.db2.gz FYVCFPRDCZSPRD-OLZOCXBDSA-N 2 0 341.456 -0.403 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001185715905 833368024 /nfs/dbraw/zinc/36/80/24/833368024.db2.gz LABFDMQXRKKLTI-OLZOCXBDSA-N 2 0 341.456 -0.247 20 0 EBADRP O=C(C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCCC1 ZINC001131520267 829152662 /nfs/dbraw/zinc/15/26/62/829152662.db2.gz WJWREFAVFYCHPC-UUCFBXCCSA-N 2 0 336.436 -0.822 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(N)=O)CC1 ZINC001131608967 829162739 /nfs/dbraw/zinc/16/27/39/829162739.db2.gz RRJPFENGKLWBAU-PBHICJAKSA-N 2 0 340.468 -0.202 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@]2(CC[N@H+](CCOCCO)C2)O1 ZINC001131682360 829185056 /nfs/dbraw/zinc/18/50/56/829185056.db2.gz NOCTWYLVYKFBGT-WBVHZDCISA-N 2 0 343.468 -0.361 20 0 EBADRP C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@]2(CC[N@H+](CCCO)C2)O1 ZINC001131692521 829187724 /nfs/dbraw/zinc/18/77/24/829187724.db2.gz IDAGCXAWGOAXQW-NVXWUHKLSA-N 2 0 343.468 -0.361 20 0 EBADRP CCOCCNC(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131786081 829217521 /nfs/dbraw/zinc/21/75/21/829217521.db2.gz DRKRQQHWYISROJ-INIZCTEOSA-N 2 0 340.468 -0.281 20 0 EBADRP C[NH+](C)C1(CC(=O)NCC[NH2+]CCN2CCNC2=O)CCCC1 ZINC001131840498 829242761 /nfs/dbraw/zinc/24/27/61/829242761.db2.gz MLDATFGGOSKMDM-UHFFFAOYSA-N 2 0 325.457 -0.018 20 0 EBADRP C[NH+]1CCC(CC(=O)N2CC[C@@H]([NH2+]CCS(C)(=O)=O)C2)CC1 ZINC001186081888 833388029 /nfs/dbraw/zinc/38/80/29/833388029.db2.gz CYSDUMKWCRUIJM-CQSZACIVSA-N 2 0 331.482 -0.047 20 0 EBADRP CC[C@H](C(=O)N1C[C@H](C[NH2+]CC(N)=O)C2(C1)CCOCC2)[NH+](C)C ZINC001186409680 833400644 /nfs/dbraw/zinc/40/06/44/833400644.db2.gz BUSSJKTUPYKPGV-UONOGXRCSA-N 2 0 340.468 -0.343 20 0 EBADRP C[C@@H]([NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC12CCOCC2)C(N)=O ZINC001186473027 833402777 /nfs/dbraw/zinc/40/27/77/833402777.db2.gz NKKMZQXOVZWOPZ-KGLIPLIRSA-N 2 0 340.468 -0.343 20 0 EBADRP CC(C)(C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCCO1)[NH+]1CCCC1 ZINC001132283662 829406113 /nfs/dbraw/zinc/40/61/13/829406113.db2.gz BUIUYHBJMDQLGK-AWEZNQCLSA-N 2 0 340.468 -0.138 20 0 EBADRP CC(C)(C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1)[NH+]1CCCC1 ZINC001132284167 829407015 /nfs/dbraw/zinc/40/70/15/829407015.db2.gz ZBUUYZYQVJRSHA-UHFFFAOYSA-N 2 0 339.440 -0.445 20 0 EBADRP CC1CC[NH+](CC(=O)N2CC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)CC1 ZINC001186554425 833405569 /nfs/dbraw/zinc/40/55/69/833405569.db2.gz DETRTGXGOQAPLH-CQSZACIVSA-N 2 0 346.497 -0.542 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001132848713 829534863 /nfs/dbraw/zinc/53/48/63/829534863.db2.gz PNHDRLBSLLBQKZ-AWEZNQCLSA-N 2 0 326.441 -0.672 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CCCO[C@@H]2CCOC2)C1 ZINC001132848558 829535392 /nfs/dbraw/zinc/53/53/92/829535392.db2.gz KRKNUJDRCJSDHS-HZPDHXFCSA-N 2 0 343.468 -0.003 20 0 EBADRP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132858709 829539642 /nfs/dbraw/zinc/53/96/42/829539642.db2.gz GBAVRBDUXZYXME-UONOGXRCSA-N 2 0 328.457 -0.284 20 0 EBADRP CCn1nnc(C)c1C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132858630 829539700 /nfs/dbraw/zinc/53/97/00/829539700.db2.gz CLENOJZZNINVMR-OAHLLOKOSA-N 2 0 338.456 -0.079 20 0 EBADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC(=O)NCC2CCC2)C1 ZINC001132858788 829539972 /nfs/dbraw/zinc/53/99/72/829539972.db2.gz JGTLUPKZEBOEKY-OAHLLOKOSA-N 2 0 340.468 -0.282 20 0 EBADRP CC[C@@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132858708 829540192 /nfs/dbraw/zinc/54/01/92/829540192.db2.gz GBAVRBDUXZYXME-KGLIPLIRSA-N 2 0 328.457 -0.284 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC001132892851 829545620 /nfs/dbraw/zinc/54/56/20/829545620.db2.gz CQSPPSBQUGFVSR-KKUMJFAQSA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH+](C)CC1(C(=O)NCC[NH2+]CC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001132993080 829567823 /nfs/dbraw/zinc/56/78/23/829567823.db2.gz MSKLONULTRTDFD-CYBMUJFWSA-N 2 0 331.482 -0.141 20 0 EBADRP Cc1cc(NC(=O)C[NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)n(C)n1 ZINC001132995556 829568804 /nfs/dbraw/zinc/56/88/04/829568804.db2.gz YDOCKHXZSPFIID-UHFFFAOYSA-N 2 0 336.440 -0.285 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CC1)C(=O)Nc1ncccn1 ZINC001132993420 829568941 /nfs/dbraw/zinc/56/89/41/829568941.db2.gz SZKFHBVBZRQIHM-GFCCVEGCSA-N 2 0 334.424 -0.149 20 0 EBADRP C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001133072395 829579786 /nfs/dbraw/zinc/57/97/86/829579786.db2.gz IEBAPVWZMZJLEW-CHWSQXEVSA-N 2 0 341.456 -0.403 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001133090278 829582335 /nfs/dbraw/zinc/58/23/35/829582335.db2.gz FPCYRZSVJCJKJI-STQMWFEESA-N 2 0 341.456 -0.532 20 0 EBADRP C[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1C[NH2+]CC(N)=O ZINC001133200397 829604520 /nfs/dbraw/zinc/60/45/20/829604520.db2.gz RSMSATYTSYZTQW-KGLIPLIRSA-N 2 0 340.468 -0.343 20 0 EBADRP Cn1cc(N2CC[C@H]([NH2+]CCNC(=O)C3CC[NH+](C)CC3)C2=O)cn1 ZINC001133281622 829614995 /nfs/dbraw/zinc/61/49/95/829614995.db2.gz FEQNIKRHVCQGQL-HNNXBMFYSA-N 2 0 348.451 -0.427 20 0 EBADRP C[NH+]1CCC(C(=O)NCC[NH2+]CC[C@H]2CCS(=O)(=O)C2)CC1 ZINC001133288401 829616171 /nfs/dbraw/zinc/61/61/71/829616171.db2.gz WYQSICAZJGETEA-ZDUSSCGKSA-N 2 0 331.482 -0.141 20 0 EBADRP C[C@H]([NH2+]CCNC(=O)CC[NH+](C)C)C(=O)NC(=O)NC(C)(C)C ZINC001133296891 829617782 /nfs/dbraw/zinc/61/77/82/829617782.db2.gz DBQOOQYYVMLQHJ-NSHDSACASA-N 2 0 329.445 -0.343 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCCNS(=O)(=O)CC)C1 ZINC001186824912 833431538 /nfs/dbraw/zinc/43/15/38/833431538.db2.gz QPRBAGMWDSZNSN-CQSZACIVSA-N 2 0 348.513 -0.152 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133416026 829630282 /nfs/dbraw/zinc/63/02/82/829630282.db2.gz ZABXLCQICPQSQW-CYBMUJFWSA-N 2 0 329.445 -0.486 20 0 EBADRP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001133834379 829681842 /nfs/dbraw/zinc/68/18/42/829681842.db2.gz VXBISGXDKHLXFV-HUUCEWRRSA-N 2 0 343.468 -0.267 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)NC(=O)NC2CC2)C1 ZINC001133845634 829684547 /nfs/dbraw/zinc/68/45/47/829684547.db2.gz KHJXRZKCWLWVBO-LLVKDONJSA-N 2 0 325.413 -0.978 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)Nc2nncs2)C1 ZINC001133845337 829685130 /nfs/dbraw/zinc/68/51/30/829685130.db2.gz BQDDIHZFBLAISI-SNVBAGLBSA-N 2 0 326.426 -0.476 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]CC(=O)NC[C@H]2CCCO2)C1 ZINC001133846352 829685366 /nfs/dbraw/zinc/68/53/66/829685366.db2.gz ZGLQBBCXGXCKRW-UONOGXRCSA-N 2 0 326.441 -0.671 20 0 EBADRP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]C[C@H](O)COCC(F)(F)F)C1 ZINC001133846368 829685392 /nfs/dbraw/zinc/68/53/92/829685392.db2.gz ZLGWRWJIMKSLAJ-RYUDHWBXSA-N 2 0 341.374 -0.026 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]C[C@@H](O)COCC(F)(F)F)C1 ZINC001133846369 829685538 /nfs/dbraw/zinc/68/55/38/829685538.db2.gz ZLGWRWJIMKSLAJ-VXGBXAGGSA-N 2 0 341.374 -0.026 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133849695 829686432 /nfs/dbraw/zinc/68/64/32/829686432.db2.gz BYNSHUMHCPMAKC-HNNXBMFYSA-N 2 0 345.419 -0.640 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+][C@@H]2CCN(c3ccn(C)n3)C2=O)C1 ZINC001133851127 829687306 /nfs/dbraw/zinc/68/73/06/829687306.db2.gz XHPNIWXQZUPQDA-ZIAGYGMSSA-N 2 0 348.451 -0.427 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133896889 829694992 /nfs/dbraw/zinc/69/49/92/829694992.db2.gz TWABQECICPWPIA-UHFFFAOYSA-N 2 0 348.513 -0.247 20 0 EBADRP CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211093649 837387966 /nfs/dbraw/zinc/38/79/66/837387966.db2.gz YGGUDZJXMGZYEU-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001134392666 829764223 /nfs/dbraw/zinc/76/42/23/829764223.db2.gz WLVQAKMERHZNBD-QWHCGFSZSA-N 2 0 338.456 -0.323 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001134758973 829839692 /nfs/dbraw/zinc/83/96/92/829839692.db2.gz DEKBIFGCLMCPCA-OLZOCXBDSA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@H](C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)[NH+]1CCCCCC1 ZINC001134758118 829840567 /nfs/dbraw/zinc/84/05/67/829840567.db2.gz WMDRQSJKNHDJDA-CQSZACIVSA-N 2 0 348.513 -0.152 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001134767485 829841310 /nfs/dbraw/zinc/84/13/10/829841310.db2.gz YPELOFGULHMZLI-ZDUSSCGKSA-N 2 0 334.486 -0.496 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134776250 829844302 /nfs/dbraw/zinc/84/43/02/829844302.db2.gz OKHVEWNFVUSFFC-GFCCVEGCSA-N 2 0 341.456 -0.342 20 0 EBADRP COCCCNC(=O)C[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780421 829844777 /nfs/dbraw/zinc/84/47/77/829844777.db2.gz GCEGYKOHNZNMSX-UHFFFAOYSA-N 2 0 328.457 -0.423 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135103226 829898369 /nfs/dbraw/zinc/89/83/69/829898369.db2.gz YBDUEGXDDHHFEU-OLZOCXBDSA-N 2 0 332.470 -0.742 20 0 EBADRP C[NH+](C)CCn1cc(C(=O)NCC[NH2+]CC(=O)Nc2ccon2)cn1 ZINC001135118228 829900155 /nfs/dbraw/zinc/90/01/55/829900155.db2.gz JNZPXFMPIBTMJE-UHFFFAOYSA-N 2 0 349.395 -0.609 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CC(=O)NC(N)=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135181468 829917448 /nfs/dbraw/zinc/91/74/48/829917448.db2.gz PUJQIQZCROGYQH-VXGBXAGGSA-N 2 0 341.456 -0.071 20 0 EBADRP COCCCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135370817 829955251 /nfs/dbraw/zinc/95/52/51/829955251.db2.gz BDCLBVMRQAPSGE-ZIAGYGMSSA-N 2 0 330.473 -0.036 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135390566 829960385 /nfs/dbraw/zinc/96/03/85/829960385.db2.gz LFFLQNGRRDIHCQ-NWDGAFQWSA-N 2 0 341.456 -0.343 20 0 EBADRP CC[NH+](CC)[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NC)C(C)C ZINC001135474575 829973424 /nfs/dbraw/zinc/97/34/24/829973424.db2.gz UNVHFPYPBBGULX-OLZOCXBDSA-N 2 0 343.472 -0.097 20 0 EBADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]CCNS(C)(=O)=O)C(C)C ZINC001135474381 829973462 /nfs/dbraw/zinc/97/34/62/829973462.db2.gz OTYKYPXEBGGWQF-CYBMUJFWSA-N 2 0 336.502 -0.392 20 0 EBADRP CC[NH+](CC)CC(=O)NCC[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001135511554 829978825 /nfs/dbraw/zinc/97/88/25/829978825.db2.gz SNSOYILZWBIMPH-ZDUSSCGKSA-N 2 0 334.486 -0.685 20 0 EBADRP CC1CC[NH+](CC(=O)NCC[NH2+]C[C@H](O)CN2CCCC2=O)CC1 ZINC001135688573 830008976 /nfs/dbraw/zinc/00/89/76/830008976.db2.gz WMMQHLRZSUEKQZ-HNNXBMFYSA-N 2 0 340.468 -0.593 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135688508 830009324 /nfs/dbraw/zinc/00/93/24/830009324.db2.gz TXQJHMRVGYZEAL-OAHLLOKOSA-N 2 0 331.457 -0.552 20 0 EBADRP CC[NH+](CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001135744161 830018695 /nfs/dbraw/zinc/01/86/95/830018695.db2.gz XATKWROGWOZOCL-RYUDHWBXSA-N 2 0 329.445 -0.343 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)COCC[NH+](C)C)[NH2+]CCN1CCNC1=O ZINC001135922718 830046713 /nfs/dbraw/zinc/04/67/13/830046713.db2.gz AFCUVNBFADJHOB-KGLIPLIRSA-N 2 0 343.472 -0.537 20 0 EBADRP C[C@H](C[C@H](C)[NH2+]Cc1cn(C)nn1)NC(=O)COCC[NH+](C)C ZINC001135923123 830047033 /nfs/dbraw/zinc/04/70/33/830047033.db2.gz HJHDOEAWGXCUDC-QWHCGFSZSA-N 2 0 326.445 -0.234 20 0 EBADRP CCN(C)C(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)COCC[NH+](C)C ZINC001135924057 830047681 /nfs/dbraw/zinc/04/76/81/830047681.db2.gz POKKMJAJIXRTFI-KBPBESRZSA-N 2 0 330.473 -0.084 20 0 EBADRP C[C@H](C[C@H](C)NC(=O)C12CC[NH+](CC1)C2)[NH2+]CCN1CCNC1=O ZINC001135938863 830048577 /nfs/dbraw/zinc/04/85/77/830048577.db2.gz PTMHOINPJWDWLO-KGLIPLIRSA-N 2 0 337.468 -0.020 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]C[C@@H]2CCNC(=O)CC2)CC1 ZINC001135959884 830051863 /nfs/dbraw/zinc/05/18/63/830051863.db2.gz UQOLOAMEDKSQMM-AWEZNQCLSA-N 2 0 340.468 -0.281 20 0 EBADRP COc1nccc(C[NH2+]CCNC(=O)COC2CC[NH+](C)CC2)n1 ZINC001135959325 830052060 /nfs/dbraw/zinc/05/20/60/830052060.db2.gz ODCGLLUHBIZNRA-UHFFFAOYSA-N 2 0 337.424 -0.198 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCC[NH2+]CCN2CCCC2=O)CC1 ZINC001135963362 830053472 /nfs/dbraw/zinc/05/34/72/830053472.db2.gz HYZNSQAJVJVKSE-UHFFFAOYSA-N 2 0 326.441 -0.575 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001135978961 830056440 /nfs/dbraw/zinc/05/64/40/830056440.db2.gz AACNVEYGQATGRI-QWHCGFSZSA-N 2 0 341.456 -0.247 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001211278548 837421102 /nfs/dbraw/zinc/42/11/02/837421102.db2.gz RVLBLUFEUWCZQH-CQSZACIVSA-N 2 0 325.457 -0.068 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001211278525 837421760 /nfs/dbraw/zinc/42/17/60/837421760.db2.gz RVLBLUFEUWCZQH-AWEZNQCLSA-N 2 0 325.457 -0.068 20 0 EBADRP CN(CC(=O)NCC[N@H+](C)CCNC(=O)OC(C)(C)C)C(N)=[NH2+] ZINC001144143279 830160939 /nfs/dbraw/zinc/16/09/39/830160939.db2.gz RDFYQXALQHGPFY-UHFFFAOYSA-N 2 0 330.433 -0.616 20 0 EBADRP C[C@H](C[C@@H](C)[NH2+]CCN(C)S(C)(=O)=O)NC(=O)C[NH+]1CCCC1 ZINC001146338689 830193806 /nfs/dbraw/zinc/19/38/06/830193806.db2.gz GZDSWTVIBSHYCQ-ZIAGYGMSSA-N 2 0 348.513 -0.154 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001146409597 830197166 /nfs/dbraw/zinc/19/71/66/830197166.db2.gz YLWDZOAWHQHADG-KGLIPLIRSA-N 2 0 348.513 -0.106 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC[N@H+](C)CC ZINC001146710775 830222752 /nfs/dbraw/zinc/22/27/52/830222752.db2.gz NFWADHJTRSSARL-UHFFFAOYSA-N 2 0 329.445 -0.340 20 0 EBADRP CC[N@H+](C)CCC(=O)NCC[NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O ZINC001146712034 830222827 /nfs/dbraw/zinc/22/28/27/830222827.db2.gz ZYNFLBKPTFXYLK-CYBMUJFWSA-N 2 0 336.440 -0.427 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147725095 830402994 /nfs/dbraw/zinc/40/29/94/830402994.db2.gz SEZOVFBJCHHYEZ-HUUCEWRRSA-N 2 0 325.453 -0.132 20 0 EBADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001147835742 830418122 /nfs/dbraw/zinc/41/81/22/830418122.db2.gz VHQYSNBVTDAQNB-KBPBESRZSA-N 2 0 325.457 -0.162 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC001147847905 830420919 /nfs/dbraw/zinc/42/09/19/830420919.db2.gz AAMSAKSVMHALQU-UHFFFAOYSA-N 2 0 340.468 -0.425 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001147848595 830421449 /nfs/dbraw/zinc/42/14/49/830421449.db2.gz REUNRRDZINOXNI-ZDUSSCGKSA-N 2 0 335.470 -0.905 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]CC(=O)NCc2cccnc2)C1 ZINC001147878083 830424614 /nfs/dbraw/zinc/42/46/14/830424614.db2.gz RKRWOIGNABUJNZ-AWEZNQCLSA-N 2 0 333.436 -0.255 20 0 EBADRP CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147891519 830426561 /nfs/dbraw/zinc/42/65/61/830426561.db2.gz BBUHMLXYHFQJJL-UHFFFAOYSA-N 2 0 346.472 -0.798 20 0 EBADRP C[NH+](C)CCOCC(=O)NCC[NH2+]CCOC[C@@H]1CCCCO1 ZINC001147891587 830427479 /nfs/dbraw/zinc/42/74/79/830427479.db2.gz DVXLHHIRQALPPF-HNNXBMFYSA-N 2 0 331.457 -0.144 20 0 EBADRP CC(C)OCCCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147899854 830427910 /nfs/dbraw/zinc/42/79/10/830427910.db2.gz APKLSRWCMJXJFE-HNNXBMFYSA-N 2 0 342.484 -0.035 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147999814 830437033 /nfs/dbraw/zinc/43/70/33/830437033.db2.gz DTGBSGCDNNHKBJ-CYBMUJFWSA-N 2 0 326.441 -0.671 20 0 EBADRP CCS(=O)(=O)NCCC[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148359867 830475612 /nfs/dbraw/zinc/47/56/12/830475612.db2.gz FXYHOJOGFYXXLE-UHFFFAOYSA-N 2 0 336.502 -0.247 20 0 EBADRP C[NH+](C)CCCCC(=O)NCC[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC001148365560 830477158 /nfs/dbraw/zinc/47/71/58/830477158.db2.gz SOZHPXSQQATNBB-HOTGVXAUSA-N 2 0 345.484 -0.019 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001148577806 830512278 /nfs/dbraw/zinc/51/22/78/830512278.db2.gz DUXIRMVRTMJLDZ-UHFFFAOYSA-N 2 0 339.440 -0.978 20 0 EBADRP CCC[N@H+](C)CC(=O)NCC[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC001148642114 830523557 /nfs/dbraw/zinc/52/35/57/830523557.db2.gz FQTQOSSKXDAJMR-AWEZNQCLSA-N 2 0 336.440 -0.427 20 0 EBADRP COC[C@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001150219274 830842056 /nfs/dbraw/zinc/84/20/56/830842056.db2.gz NUEDBTZBFQXHDZ-CVEARBPZSA-N 2 0 343.468 -0.457 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001150219277 830842121 /nfs/dbraw/zinc/84/21/21/830842121.db2.gz NUEDBTZBFQXHDZ-JKSUJKDBSA-N 2 0 343.468 -0.457 20 0 EBADRP COC[C@@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150587749 830939077 /nfs/dbraw/zinc/93/90/77/830939077.db2.gz JPBHQFARCLTWET-CABCVRRESA-N 2 0 331.457 -0.193 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCCO[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606025 830943838 /nfs/dbraw/zinc/94/38/38/830943838.db2.gz ASCGWDROUPUUFQ-JKSUJKDBSA-N 2 0 345.484 -0.067 20 0 EBADRP COCCOCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001150699832 830964473 /nfs/dbraw/zinc/96/44/73/830964473.db2.gz NZXKOXRBKIGJHB-HOTGVXAUSA-N 2 0 343.468 -0.192 20 0 EBADRP COCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001150725354 830972060 /nfs/dbraw/zinc/97/20/60/830972060.db2.gz ULIQQVMZRYVBJF-JKSUJKDBSA-N 2 0 343.468 -0.192 20 0 EBADRP COC[C@@H](O)C[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150779230 830982852 /nfs/dbraw/zinc/98/28/52/830982852.db2.gz QKTGTRYOSOILKF-GJZGRUSLSA-N 2 0 331.457 -0.459 20 0 EBADRP CC(C)CNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151066766 831020663 /nfs/dbraw/zinc/02/06/63/831020663.db2.gz YOKBPHQSYBZFKG-GFCCVEGCSA-N 2 0 327.429 -0.874 20 0 EBADRP CCCCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151073845 831021725 /nfs/dbraw/zinc/02/17/25/831021725.db2.gz QWKHVSTVMNCNQC-GFCCVEGCSA-N 2 0 327.429 -0.730 20 0 EBADRP O=C(C[NH+]1CCCC1)NCC[NH2+]C[C@@H](O)COCC(F)(F)F ZINC001151100431 831026760 /nfs/dbraw/zinc/02/67/60/831026760.db2.gz CZYSHAVJHXPFQO-LLVKDONJSA-N 2 0 327.347 -0.272 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001151152468 831031486 /nfs/dbraw/zinc/03/14/86/831031486.db2.gz UHUZBYNJUIQTSC-CYBMUJFWSA-N 2 0 326.441 -0.719 20 0 EBADRP CCN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151156381 831033004 /nfs/dbraw/zinc/03/30/04/831033004.db2.gz BEIPTSWXIBHTKS-HUUCEWRRSA-N 2 0 342.484 -0.083 20 0 EBADRP CC(C)CNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151156990 831033994 /nfs/dbraw/zinc/03/39/94/831033994.db2.gz IQDJSSLPUIXXNP-HUUCEWRRSA-N 2 0 342.484 -0.179 20 0 EBADRP CC[C@H](C)NC(=O)C[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151156470 831035545 /nfs/dbraw/zinc/03/55/45/831035545.db2.gz DFPIVDHMZBQHGT-KBPBESRZSA-N 2 0 328.457 -0.425 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+]C[C@@H](O)CC(F)(F)F ZINC001151160017 831036160 /nfs/dbraw/zinc/03/61/60/831036160.db2.gz WRQCUFBNDVTPID-NEPJUHHUSA-N 2 0 341.374 -0.026 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001151159397 831036865 /nfs/dbraw/zinc/03/68/65/831036865.db2.gz STEOXFNCZWAHRS-KBPBESRZSA-N 2 0 326.441 -0.719 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001152147404 831133597 /nfs/dbraw/zinc/13/35/97/831133597.db2.gz NAGOINNJACSEBD-TXEJJXNPSA-N 2 0 327.429 -0.589 20 0 EBADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001152146372 831133873 /nfs/dbraw/zinc/13/38/73/831133873.db2.gz IUHJXZWPCQZCIP-TXEJJXNPSA-N 2 0 325.413 -0.883 20 0 EBADRP COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152230690 831143821 /nfs/dbraw/zinc/14/38/21/831143821.db2.gz GDSFRPXVFXNZRU-CVEARBPZSA-N 2 0 345.484 -0.019 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152224003 831143925 /nfs/dbraw/zinc/14/39/25/831143925.db2.gz QDCVGYVAQWABIK-UHFFFAOYSA-N 2 0 341.456 -0.196 20 0 EBADRP C[NH+](C)Cc1ccccc1C(=O)NCC[NH2+]CCN1C(=O)CNC1=O ZINC001152384639 831156451 /nfs/dbraw/zinc/15/64/51/831156451.db2.gz VKFNOLNUJRKQHB-UHFFFAOYSA-N 2 0 347.419 -0.381 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC001152446465 831164134 /nfs/dbraw/zinc/16/41/34/831164134.db2.gz ZCBKSPHFUWYJRV-UONOGXRCSA-N 2 0 328.457 -0.284 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC001152445899 831164269 /nfs/dbraw/zinc/16/42/69/831164269.db2.gz QRQZVMPOQMVFEI-HUUCEWRRSA-N 2 0 331.457 -0.411 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001152445587 831164378 /nfs/dbraw/zinc/16/43/78/831164378.db2.gz KBFFHWOIGPXGNT-NSHDSACASA-N 2 0 327.429 -0.591 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCNC(=O)CCCC[NH+]1CCCC1 ZINC001153314558 831221657 /nfs/dbraw/zinc/22/16/57/831221657.db2.gz NMDILFDGKBEMBF-UHFFFAOYSA-N 2 0 334.486 -0.493 20 0 EBADRP C[NH+]1CCN(c2ccc(NCc3nnc4n3CCC[NH2+]C4)nn2)CC1 ZINC001155425457 831405052 /nfs/dbraw/zinc/40/50/52/831405052.db2.gz YHVUCOBLMVMYGN-UHFFFAOYSA-N 2 0 343.439 -0.075 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155790645 831430011 /nfs/dbraw/zinc/43/00/11/831430011.db2.gz LAWZFVOVJZDCDM-LBPRGKRZSA-N 2 0 327.429 -0.588 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001155791240 831430408 /nfs/dbraw/zinc/43/04/08/831430408.db2.gz UCYADQBQUQPOLM-CYBMUJFWSA-N 2 0 332.470 -0.788 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001155822084 831433783 /nfs/dbraw/zinc/43/37/83/831433783.db2.gz HZXOCGPSONMPJI-ZIAGYGMSSA-N 2 0 326.441 -0.671 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001157323851 831553616 /nfs/dbraw/zinc/55/36/16/831553616.db2.gz PZCDSFBFHGBRPZ-KFWWJZLASA-N 2 0 339.484 -0.580 20 0 EBADRP CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@]12CCCO[C@@H]1CC[NH2+]C2 ZINC001157324320 831554136 /nfs/dbraw/zinc/55/41/36/831554136.db2.gz VSTUDISSZCABQO-WOSRLPQWSA-N 2 0 326.441 -0.495 20 0 EBADRP O=C([C@H]1CCCO1)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001157497047 831571765 /nfs/dbraw/zinc/57/17/65/831571765.db2.gz NXQQMRZZYXRWMA-CKEIUWERSA-N 2 0 336.436 -0.965 20 0 EBADRP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001157591288 831580226 /nfs/dbraw/zinc/58/02/26/831580226.db2.gz JNHCUFCBAISPBZ-ZFWWWQNUSA-N 2 0 340.468 -0.465 20 0 EBADRP CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001157717013 831586659 /nfs/dbraw/zinc/58/66/59/831586659.db2.gz WFTRXPPWCRIODZ-WPKBUWHJSA-N 2 0 344.415 -0.457 20 0 EBADRP CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001157715650 831587162 /nfs/dbraw/zinc/58/71/62/831587162.db2.gz HSMKYFXRUXJZDV-ZIAGYGMSSA-N 2 0 333.436 -0.419 20 0 EBADRP C[C@@H]1[C@H]([NH3+])CCCN1c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001157732135 831588203 /nfs/dbraw/zinc/58/82/03/831588203.db2.gz IAYKXBMTAKLUMF-ZYHUDNBSSA-N 2 0 339.465 -0.116 20 0 EBADRP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)CC1 ZINC001157740974 831589194 /nfs/dbraw/zinc/58/91/94/831589194.db2.gz RLBPZRYHMVWSNP-WCQYABFASA-N 2 0 333.429 -0.557 20 0 EBADRP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157754169 831590905 /nfs/dbraw/zinc/59/09/05/831590905.db2.gz HVALZVARHPDGHY-BLLLJJGKSA-N 2 0 346.447 -0.076 20 0 EBADRP COCCOC[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001157893466 831602982 /nfs/dbraw/zinc/60/29/82/831602982.db2.gz HPZKIYQBEBKISV-HOTGVXAUSA-N 2 0 345.484 -0.021 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001157886254 831603519 /nfs/dbraw/zinc/60/35/19/831603519.db2.gz DBSMXLCDGVLINW-LBPRGKRZSA-N 2 0 327.429 -0.589 20 0 EBADRP CCOC(=O)[C@H]1CNCCN1C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001158008080 831618716 /nfs/dbraw/zinc/61/87/16/831618716.db2.gz YBQABRLSPGWDNH-UONOGXRCSA-N 2 0 328.457 -0.155 20 0 EBADRP [NH3+]C1(C(=O)N2CCOC3(CC[NH2+]CC3)C2)CCC2(CC1)OCCO2 ZINC001158076894 831625996 /nfs/dbraw/zinc/62/59/96/831625996.db2.gz PAPRXHDFGYAUSJ-UHFFFAOYSA-N 2 0 339.436 -0.018 20 0 EBADRP O=C(C[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158093473 831626889 /nfs/dbraw/zinc/62/68/89/831626889.db2.gz VMDSPFRTWCVRHZ-XKQJLSEDSA-N 2 0 336.436 -0.774 20 0 EBADRP C[NH2+][C@@H](COCc1ccccc1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091516 831627390 /nfs/dbraw/zinc/62/73/90/831627390.db2.gz DPFOPGMFACBJFS-MAUKXSAKSA-N 2 0 346.431 -0.518 20 0 EBADRP COc1cccc([C@H]([NH3+])CC(=O)N2CC(=O)NC[C@@]23CC[NH2+]C3)c1 ZINC001158100980 831628096 /nfs/dbraw/zinc/62/80/96/831628096.db2.gz FAEOAHIPWPNATL-PBHICJAKSA-N 2 0 332.404 -0.224 20 0 EBADRP C[C@]([NH3+])(Cc1ccc(F)cc1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158101288 831628138 /nfs/dbraw/zinc/62/81/38/831628138.db2.gz JJRAQBNISRRZNN-DLBZAZTESA-N 2 0 334.395 -0.224 20 0 EBADRP [NH3+][C@@H](Cc1ccsc1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158111218 831629302 /nfs/dbraw/zinc/62/93/02/831629302.db2.gz LCOCFKWPCOMDBE-LRDDRELGSA-N 2 0 334.445 -0.444 20 0 EBADRP O=C([C@@H]1CC[C@@]2(C1)C[NH2+]CCO2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158118759 831629830 /nfs/dbraw/zinc/62/98/30/831629830.db2.gz DFGYYWHBRFZLBF-FSPWUOQZSA-N 2 0 348.447 -0.917 20 0 EBADRP O=C(C[C@H]1C[NH2+]CC1(F)F)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120196 831629957 /nfs/dbraw/zinc/62/99/57/831629957.db2.gz KCODBMBDCCSJLS-IINYFYTJSA-N 2 0 328.363 -0.831 20 0 EBADRP O=C(c1ccc2c(c1)C[NH2+]C2)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120602 831631102 /nfs/dbraw/zinc/63/11/02/831631102.db2.gz RGHXWOQENFDVDA-GOSISDBHSA-N 2 0 326.400 -0.159 20 0 EBADRP O=C([C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCC[C@]12CCC[NH2+]C2 ZINC001158162048 831633302 /nfs/dbraw/zinc/63/33/02/831633302.db2.gz TVJJSHBDRHUPOH-JSGCOSHPSA-N 2 0 327.450 -0.492 20 0 EBADRP O=C(c1cccnc1O[C@H]1CC[NH2+]C1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158179788 831636739 /nfs/dbraw/zinc/63/67/39/831636739.db2.gz OXIPFUAOMCXULW-VNHYZAJKSA-N 2 0 332.404 -0.117 20 0 EBADRP O=C(NCCC[NH2+]C[C@H]1CCS(=O)(=O)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001158196812 831638795 /nfs/dbraw/zinc/63/87/95/831638795.db2.gz OJGPSBWZSYGKGK-UKRRQHHQSA-N 2 0 343.493 -0.141 20 0 EBADRP O=C(NCCC[NH2+]Cc1nnc2n1CCOC2)[C@@H]1C[NH+]2CCC1CC2 ZINC001158197325 831638931 /nfs/dbraw/zinc/63/89/31/831638931.db2.gz WOTAZKDGHHSWOF-CQSZACIVSA-N 2 0 348.451 -0.254 20 0 EBADRP O=C(NCCC[NH2+]C[C@H](O)Cn1cccn1)[C@@H]1C[NH+]2CCC1CC2 ZINC001158202226 831639023 /nfs/dbraw/zinc/63/90/23/831639023.db2.gz HNTTWZRVGQLHAQ-JKSUJKDBSA-N 2 0 335.452 -0.318 20 0 EBADRP COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)[NH2+]1)C2 ZINC001158236277 831639906 /nfs/dbraw/zinc/63/99/06/831639906.db2.gz ZPFCNHBMIQEKAX-DCGLDWPTSA-N 2 0 337.420 -0.491 20 0 EBADRP [NH3+][C@H](C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1)C1CCOCC1 ZINC001158276668 831642835 /nfs/dbraw/zinc/64/28/35/831642835.db2.gz CNDQGEZGQACUNF-AWEZNQCLSA-N 2 0 334.424 -0.547 20 0 EBADRP C[NH+](C)CCn1ccc(C(=O)NCCC[NH2+]CCOCCO)n1 ZINC001158287257 831643463 /nfs/dbraw/zinc/64/34/63/831643463.db2.gz BKJVETJDAZLBDH-UHFFFAOYSA-N 2 0 327.429 -0.837 20 0 EBADRP O=C(c1cnn2c1nccc2[C@@H]1C[NH2+]CCO1)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158429800 831654393 /nfs/dbraw/zinc/65/43/93/831654393.db2.gz BIKXKHUPRGSOEW-YUELXQCFSA-N 2 0 342.403 -0.033 20 0 EBADRP CCn1ncnc1C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158486176 831659134 /nfs/dbraw/zinc/65/91/34/831659134.db2.gz HJIOTDKKADOUNI-KBPBESRZSA-N 2 0 336.440 -0.243 20 0 EBADRP O=C(NCCC[NH2+]Cc1nnnn1C1CC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158487284 831659908 /nfs/dbraw/zinc/65/99/08/831659908.db2.gz XPGCVXZIWNDIKL-ZIAGYGMSSA-N 2 0 349.439 -0.533 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H](CCCC[NH3+])[NH2+]C ZINC001158496678 831660774 /nfs/dbraw/zinc/66/07/74/831660774.db2.gz XVBAZSSAQNKFBG-XDQVBPFNSA-N 3 0 326.441 -0.545 20 0 EBADRP O=C(NCCC[NH2+]Cc1nncs1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158507073 831661712 /nfs/dbraw/zinc/66/17/12/831661712.db2.gz PHCQACJYUXPCMA-NEPJUHHUSA-N 2 0 325.438 -0.003 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158579189 831667644 /nfs/dbraw/zinc/66/76/44/831667644.db2.gz PMDLGMWQLCNYPI-BNOWGMLFSA-N 3 0 327.448 -0.728 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158579190 831667901 /nfs/dbraw/zinc/66/79/01/831667901.db2.gz PMDLGMWQLCNYPI-UBHSHLNASA-N 3 0 327.448 -0.728 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158579191 831667999 /nfs/dbraw/zinc/66/79/99/831667999.db2.gz PMDLGMWQLCNYPI-XBFCOCLRSA-N 3 0 327.448 -0.728 20 0 EBADRP [NH3+]CCCNCC(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccn1 ZINC001158658524 831676103 /nfs/dbraw/zinc/67/61/03/831676103.db2.gz KVTJXDFHIHBQRW-UHFFFAOYSA-N 2 0 345.407 -0.418 20 0 EBADRP CC(C)N(C(=O)CN1CC[NH2+]CC1)c1ncnc2c1CC[NH2+]CC2 ZINC001158759937 831683978 /nfs/dbraw/zinc/68/39/78/831683978.db2.gz VEZYRALGXHYAEE-UHFFFAOYSA-N 2 0 332.452 -0.189 20 0 EBADRP N[C@@H](CC[NH3+])C(=O)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158903209 831695025 /nfs/dbraw/zinc/69/50/25/831695025.db2.gz MUPPMNJNAUEJIL-RBOXIYTFSA-N 2 0 337.399 -0.249 20 0 EBADRP COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@@H]1CC[NH2+]1 ZINC001159078098 831706634 /nfs/dbraw/zinc/70/66/34/831706634.db2.gz UPRHAROOIKILMP-HEHGZKQESA-N 2 0 325.409 -0.397 20 0 EBADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)CNC2CC[NH2+]CC2)C1 ZINC001159132522 831710103 /nfs/dbraw/zinc/71/01/03/831710103.db2.gz AHRJRAOONRGLBA-AWEZNQCLSA-N 2 0 334.468 -0.255 20 0 EBADRP O=C([C@H]1[NH2+]CC[C@H]1O)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159157123 831712311 /nfs/dbraw/zinc/71/23/11/831712311.db2.gz DLDVZUOHYVLAEM-ZBFHGGJFSA-N 2 0 333.436 -0.414 20 0 EBADRP CC[NH+](CC)C[C@@H](F)C(=O)NCCC[NH2+]CC(=O)NCCCOC ZINC001159155509 831712396 /nfs/dbraw/zinc/71/23/96/831712396.db2.gz PAPIKLIMQZBPSH-CQSZACIVSA-N 2 0 348.463 -0.085 20 0 EBADRP N[C@@]1(C(=O)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)CCC[NH2+]C1 ZINC001159158077 831713421 /nfs/dbraw/zinc/71/34/21/831713421.db2.gz LIULLAAJZRDBRV-SFHVURJKSA-N 2 0 346.479 -0.056 20 0 EBADRP O=C([C@@H]1C[NH2+]CCN1)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001159158578 831714028 /nfs/dbraw/zinc/71/40/28/831714028.db2.gz PJNLAQSXOCIBSG-HNNXBMFYSA-N 2 0 332.452 -0.575 20 0 EBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@]1(C)CC[NH2+]C1)CC2 ZINC001159191148 831717446 /nfs/dbraw/zinc/71/74/46/831717446.db2.gz CRJGLIJDACZCHO-KRWDZBQOSA-N 2 0 349.435 -0.150 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159290852 831736393 /nfs/dbraw/zinc/73/63/93/831736393.db2.gz HSBKPYDJNSDMKQ-UHFFFAOYSA-N 2 0 344.481 -0.849 20 0 EBADRP CCOC[C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)Cc2cnn(C)c21 ZINC001159393692 831748743 /nfs/dbraw/zinc/74/87/43/831748743.db2.gz IJRGYJSMOVPHFX-KGLIPLIRSA-N 2 0 333.436 -0.309 20 0 EBADRP O=C([C@@H]1C[NH2+]C[C@@H]1O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159402692 831749584 /nfs/dbraw/zinc/74/95/84/831749584.db2.gz IYNJNNRSNFBVMN-SBJFKYEJSA-N 2 0 347.419 -0.986 20 0 EBADRP [NH3+]CCC[NH2+]CC(=O)N1Cc2ccnn2C[C@@H](C(=O)N2CCCC2)C1 ZINC001159493920 831757019 /nfs/dbraw/zinc/75/70/19/831757019.db2.gz YMFHLXFLOOVFEL-AWEZNQCLSA-N 2 0 348.451 -0.598 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC001159641875 831767900 /nfs/dbraw/zinc/76/79/00/831767900.db2.gz CQHCPJZRLAWJEF-AWEZNQCLSA-N 2 0 331.424 -0.421 20 0 EBADRP N[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159664416 831770650 /nfs/dbraw/zinc/77/06/50/831770650.db2.gz DPAFOXIHNXYLMZ-NCOADZHNSA-N 2 0 345.447 -0.570 20 0 EBADRP O=C([C@@H]1C[NH2+]CCN1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159666000 831770825 /nfs/dbraw/zinc/77/08/25/831770825.db2.gz NPOKSLZBMVIOIY-IKGGRYGDSA-N 2 0 345.447 -0.555 20 0 EBADRP [NH3+]C[C@H](O)CC(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159668588 831771496 /nfs/dbraw/zinc/77/14/96/831771496.db2.gz YNDJLNKBQVNBGX-XHSDSOJGSA-N 2 0 334.420 -0.407 20 0 EBADRP C[NH+](C)C1(C(=O)NCCC[NH2+]CCN2CCCS2(=O)=O)CCC1 ZINC001159854881 831788641 /nfs/dbraw/zinc/78/86/41/831788641.db2.gz VPNGSWKRQFWPNP-UHFFFAOYSA-N 2 0 346.497 -0.398 20 0 EBADRP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CC(=O)Nc1cnccn1)C1CC1 ZINC001159916773 831796489 /nfs/dbraw/zinc/79/64/89/831796489.db2.gz SHPIWCFRLXGYHR-HNNXBMFYSA-N 2 0 334.424 -0.149 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NC1CCOCC1)C1CC1 ZINC001159914554 831796695 /nfs/dbraw/zinc/79/66/95/831796695.db2.gz DYHOYJSBJBTFTF-MRXNPFEDSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CCN1CCCS1(=O)=O)C1CC1 ZINC001159915351 831796784 /nfs/dbraw/zinc/79/67/84/831796784.db2.gz JPAIWNUBMHSSKI-CQSZACIVSA-N 2 0 346.497 -0.542 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159914652 831797046 /nfs/dbraw/zinc/79/70/46/831797046.db2.gz FHEZYOYDYXFOAU-YPMHNXCESA-N 2 0 341.456 -0.343 20 0 EBADRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001159929527 831798587 /nfs/dbraw/zinc/79/85/87/831798587.db2.gz GKECNJZOAUAALF-HRCADAONSA-N 3 0 325.501 -0.060 20 0 EBADRP O=C(NCc1ccco1)C12CC(C1)CN2C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001159930857 831799734 /nfs/dbraw/zinc/79/97/34/831799734.db2.gz YDGGKMRNBJDCHC-HZEYSBKDSA-N 2 0 344.415 -0.304 20 0 EBADRP CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])[C@H]2C1 ZINC001159998895 831804622 /nfs/dbraw/zinc/80/46/22/831804622.db2.gz NMPQDESZWVZUNA-AGIUHOORSA-N 2 0 332.470 -0.675 20 0 EBADRP O=C(c1ccco1)N1CC[C@H]2CN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C[C@H]21 ZINC001160121414 831817394 /nfs/dbraw/zinc/81/73/94/831817394.db2.gz WTVYTIWIBLOUDX-BFHYXJOUSA-N 2 0 344.415 -0.239 20 0 EBADRP [NH3+][C@H]1CN[C@H](C(=O)N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)C1 ZINC001160138755 831818780 /nfs/dbraw/zinc/81/87/80/831818780.db2.gz PEHITMNIAIZFLF-SVZOTFJBSA-N 2 0 345.447 -0.129 20 0 EBADRP [NH3+]CC(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155605 831819332 /nfs/dbraw/zinc/81/93/32/831819332.db2.gz JXRQVWYQWWXEGS-ZNMIVQPWSA-N 2 0 336.436 -0.742 20 0 EBADRP CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)CCO2 ZINC001160179502 831822771 /nfs/dbraw/zinc/82/27/71/831822771.db2.gz LNKYLLTUULVMHF-DOTOQJQBSA-N 2 0 338.452 -0.447 20 0 EBADRP Cn1cc(N2C[C@@H]3CN(C(=O)[C@H]([NH3+])C4CC[NH2+]CC4)C[C@@H]3C2=O)cn1 ZINC001160216155 831826526 /nfs/dbraw/zinc/82/65/26/831826526.db2.gz AOSGSAKUGNBDKG-AEGPPILISA-N 2 0 346.435 -0.832 20 0 EBADRP CN(C)C(=O)C[NH+]1CCC2(CCCN2C(=O)C[C@@H](O)C[NH3+])CC1 ZINC001160388817 831842156 /nfs/dbraw/zinc/84/21/56/831842156.db2.gz PDZVGEVXFXLXEF-CYBMUJFWSA-N 2 0 326.441 -0.759 20 0 EBADRP CC(C)N(C)Cc1nnc2n1CCCN(C(=O)C[NH2+]CCC[NH3+])C2 ZINC001160380412 831842841 /nfs/dbraw/zinc/84/28/41/831842841.db2.gz DMEYGGJKEQQIPI-UHFFFAOYSA-N 2 0 337.472 -0.211 20 0 EBADRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 ZINC001160414829 831846119 /nfs/dbraw/zinc/84/61/19/831846119.db2.gz DJVGUUCTRXTALG-PBHICJAKSA-N 2 0 346.435 -0.112 20 0 EBADRP [NH3+]CCC[NH2+]CC(=O)N1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 ZINC001160419808 831846994 /nfs/dbraw/zinc/84/69/94/831846994.db2.gz VEGUMEVNTQMSSY-KRWDZBQOSA-N 2 0 346.435 -0.240 20 0 EBADRP CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCO[C@@H](C)C1)[NH+](C)C ZINC001160426774 831847844 /nfs/dbraw/zinc/84/78/44/831847844.db2.gz JNHJYZCCIFIJNE-HOCLYGCPSA-N 2 0 342.484 -0.084 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001160461810 831853210 /nfs/dbraw/zinc/85/32/10/831853210.db2.gz XJTYKAHDUHNVDS-AWEZNQCLSA-N 2 0 346.497 -0.316 20 0 EBADRP O=C(CN1CC[NH2+]CC1)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160586289 831867481 /nfs/dbraw/zinc/86/74/81/831867481.db2.gz ZGNDGUBIUQHBGH-UHFFFAOYSA-N 2 0 343.431 -0.252 20 0 EBADRP [NH3+][C@@H]1CCN(C(=O)c2ccc3c(c2)[C@H]2C[NH2+]C[C@H]2NC3=O)C[C@@H]1F ZINC001160649400 831875749 /nfs/dbraw/zinc/87/57/49/831875749.db2.gz KCVWSOJWZPKRBR-LXTVHRRPSA-N 2 0 332.379 -0.003 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160649762 831875944 /nfs/dbraw/zinc/87/59/44/831875944.db2.gz MQDGRAILKVUUOV-CRWXNKLISA-N 3 0 343.447 -0.669 20 0 EBADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@]23C(=O)Nc2ccccc23)C[C@@H]1F ZINC001160650447 831875990 /nfs/dbraw/zinc/87/59/90/831875990.db2.gz WOWJDZAAMYQSGI-APNQJHFZSA-N 2 0 332.379 -0.006 20 0 EBADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001160698832 831878535 /nfs/dbraw/zinc/87/85/35/831878535.db2.gz SJHDEEIAAQYZJO-OLZOCXBDSA-N 2 0 328.457 -0.297 20 0 EBADRP CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1 ZINC001160695837 831878766 /nfs/dbraw/zinc/87/87/66/831878766.db2.gz RAZIPALHDLSFGE-KGLIPLIRSA-N 2 0 348.451 -0.228 20 0 EBADRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001160716044 831880079 /nfs/dbraw/zinc/88/00/79/831880079.db2.gz OIKUMHBQYUIBQC-JTQLQIEISA-N 2 0 328.438 -0.949 20 0 EBADRP CCNC(=O)CO[C@H]1CCCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)C1 ZINC001160746856 831881914 /nfs/dbraw/zinc/88/19/14/831881914.db2.gz OCKRHJISOGJQCD-DZGCQCFKSA-N 2 0 326.441 -0.543 20 0 EBADRP [NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC001160766034 831884938 /nfs/dbraw/zinc/88/49/38/831884938.db2.gz HQWNCUMQTXLIIO-ZNMIVQPWSA-N 2 0 344.415 -0.304 20 0 EBADRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1CC[C@]2(C1)CC(F)(F)CO2 ZINC001160772717 831885526 /nfs/dbraw/zinc/88/55/26/831885526.db2.gz WGWFCIFMGVZUGG-TZMCWYRMSA-N 2 0 332.395 -0.237 20 0 EBADRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160780886 831886179 /nfs/dbraw/zinc/88/61/79/831886179.db2.gz YXYFHKNRDRQJCH-MDZRGWNJSA-N 3 0 326.444 -0.205 20 0 EBADRP CCOC(=O)[C@]12CN(C(=O)[C@@H]([NH3+])CCC(=O)OC)C[C@H]1C[NH2+]CC2 ZINC001160812075 831890246 /nfs/dbraw/zinc/89/02/46/831890246.db2.gz ZPZDPCZMYIFNDB-BFQNTYOBSA-N 2 0 341.408 -0.732 20 0 EBADRP CCOC(=O)c1nc2c(o1)CCN(C(=O)[C@]13C[NH2+]C[C@H]1C[NH2+]CC3)C2 ZINC001160823305 831891108 /nfs/dbraw/zinc/89/11/08/831891108.db2.gz FPQLZZAJPWALAR-PIGZYNQJSA-N 2 0 348.403 -0.065 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001160867843 831901358 /nfs/dbraw/zinc/90/13/58/831901358.db2.gz ISDKENJCOZKWQX-VXGBXAGGSA-N 2 0 325.413 -0.706 20 0 EBADRP CC[C@H](C(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001160883976 831903030 /nfs/dbraw/zinc/90/30/30/831903030.db2.gz ZXQQOYAKSWGLKF-GFCCVEGCSA-N 2 0 327.429 -0.589 20 0 EBADRP CC[C@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NCCCOC)[NH+](C)C ZINC001160889122 831904027 /nfs/dbraw/zinc/90/40/27/831904027.db2.gz DUKKTKRUWYSCNQ-UONOGXRCSA-N 2 0 330.473 -0.036 20 0 EBADRP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N(c2ncccn2)C2C[NH2+]C2)COC1(C)C ZINC001160916498 831906048 /nfs/dbraw/zinc/90/60/48/831906048.db2.gz YWKLAGPZAVDCTP-JQWIXIFHSA-N 2 0 348.407 -0.908 20 0 EBADRP CC(C)(C)C(=O)N1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001160948597 831909031 /nfs/dbraw/zinc/90/90/31/831909031.db2.gz MUNLDRSUYHBWNJ-AWEZNQCLSA-N 2 0 339.484 -0.546 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001160951062 831909266 /nfs/dbraw/zinc/90/92/66/831909266.db2.gz CNNYATUTEJVHBK-CQSZACIVSA-N 2 0 340.468 -0.281 20 0 EBADRP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160973493 831911954 /nfs/dbraw/zinc/91/19/54/831911954.db2.gz VNRFXLXAJIGMMS-STQMWFEESA-N 2 0 340.374 -0.133 20 0 EBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161009341 831913672 /nfs/dbraw/zinc/91/36/72/831913672.db2.gz UTKYVGIRKQQXKJ-UONOGXRCSA-N 2 0 326.441 -0.665 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161040793 831915957 /nfs/dbraw/zinc/91/59/57/831915957.db2.gz CQONCXBVXRVMIQ-GFCCVEGCSA-N 2 0 327.429 -0.588 20 0 EBADRP CN(CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C)S(C)(=O)=O ZINC001161042067 831916124 /nfs/dbraw/zinc/91/61/24/831916124.db2.gz NLOBPXVKGRUSAC-CYBMUJFWSA-N 2 0 334.486 -0.542 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]CCCNC(=O)[C@H]2CCCC[N@@H+]2C)CCO1 ZINC001161053747 831918939 /nfs/dbraw/zinc/91/89/39/831918939.db2.gz YJGXZZNSMBPKDT-LSDHHAIUSA-N 2 0 340.468 -0.186 20 0 EBADRP CN(C(=O)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2)[C@H]1CCCC[C@H]1[NH3+] ZINC001161058561 831919056 /nfs/dbraw/zinc/91/90/56/831919056.db2.gz YCPRJKOSGSGCNE-XQQFMLRXSA-N 2 0 333.440 -0.348 20 0 EBADRP COc1cc(N2CCN(C(=O)[C@@H]([NH3+])C3CC[NH2+]CC3)CC2)ncn1 ZINC001161093177 831923346 /nfs/dbraw/zinc/92/33/46/831923346.db2.gz JLBLCXMNPNHTAF-HNNXBMFYSA-N 2 0 334.424 -0.539 20 0 EBADRP COC(=O)[C@@H]1CCCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)[C@@H]1C ZINC001161117473 831929428 /nfs/dbraw/zinc/92/94/28/831929428.db2.gz LLDARTAMIBLPAW-MRVWCRGKSA-N 2 0 326.441 -0.463 20 0 EBADRP CCOC(=O)CN(CCC[NH3+])C(=O)[C@H](CC(C)C)NC(=O)C[NH3+] ZINC001161158032 831933672 /nfs/dbraw/zinc/93/36/72/831933672.db2.gz OCXZTCYDYDLSPB-LBPRGKRZSA-N 2 0 330.429 -0.784 20 0 EBADRP CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(C(=O)C[NH2+]CCC[NH3+])C1 ZINC001161170161 831934579 /nfs/dbraw/zinc/93/45/79/831934579.db2.gz JTJBOYCDCZCICS-QWHCGFSZSA-N 2 0 337.424 -0.096 20 0 EBADRP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161208145 831937890 /nfs/dbraw/zinc/93/78/90/831937890.db2.gz ITBFGUYVUYMKTD-UHFFFAOYSA-N 2 0 346.497 -0.555 20 0 EBADRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161245740 831941025 /nfs/dbraw/zinc/94/10/25/831941025.db2.gz FWEQACCXTWHLMG-HEHGZKQESA-N 3 0 343.447 -0.667 20 0 EBADRP COc1cc(N2CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC2)ccn1 ZINC001161305842 831945981 /nfs/dbraw/zinc/94/59/81/831945981.db2.gz ASUUYEOUXXGBCI-ZDUSSCGKSA-N 2 0 339.465 -0.242 20 0 EBADRP Cc1cc(O[C@H]2CCCN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C2)ncn1 ZINC001161310062 831946983 /nfs/dbraw/zinc/94/69/83/831946983.db2.gz XLEYQNILSRPHRR-KBPBESRZSA-N 2 0 331.420 -0.036 20 0 EBADRP CCN(C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1)[C@@H]1CCC[NH2+]C1 ZINC001161333434 831948832 /nfs/dbraw/zinc/94/88/32/831948832.db2.gz UKHDOQOIVBCFGE-KGLIPLIRSA-N 2 0 348.451 -0.086 20 0 EBADRP CCN(C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1)[C@H]1CCC[NH2+]C1 ZINC001161333433 831948881 /nfs/dbraw/zinc/94/88/81/831948881.db2.gz UKHDOQOIVBCFGE-KBPBESRZSA-N 2 0 348.451 -0.086 20 0 EBADRP CC(=O)NCCCC[C@H]([NH3+])C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161381111 831951249 /nfs/dbraw/zinc/95/12/49/831951249.db2.gz MOOKBSIQMWKEEV-HOTGVXAUSA-N 2 0 339.484 -0.356 20 0 EBADRP [NH3+]C1CCN([C@H]2CCN(C(=O)[C@@H]3CNC(=O)C34CC[NH2+]CC4)C2)CC1 ZINC001161381705 831951603 /nfs/dbraw/zinc/95/16/03/831951603.db2.gz YUUGSHHROVFGHP-GJZGRUSLSA-N 2 0 349.479 -0.874 20 0 EBADRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161389141 831952714 /nfs/dbraw/zinc/95/27/14/831952714.db2.gz NMXXUEOWLAAEKD-HOTGVXAUSA-N 3 0 339.484 -0.940 20 0 EBADRP CN(CC(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1 ZINC001161447455 831957835 /nfs/dbraw/zinc/95/78/35/831957835.db2.gz XOFDPCALUZWROK-HZPDHXFCSA-N 3 0 325.501 -0.188 20 0 EBADRP CCn1nnc2c1[C@H](C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1)CNC2 ZINC001161442954 831958060 /nfs/dbraw/zinc/95/80/60/831958060.db2.gz JFXDTAVHYICSDZ-ZIAGYGMSSA-N 2 0 349.483 -0.373 20 0 EBADRP C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161444361 831958086 /nfs/dbraw/zinc/95/80/86/831958086.db2.gz GPSINFYMTJBRMH-KKUMJFAQSA-N 3 0 339.484 -0.533 20 0 EBADRP C[NH2+][C@@H]1CCCN(CC(=O)N(CC[NH+](C)C)[C@@H]2CCC[NH2+]C2)C1 ZINC001161448815 831958772 /nfs/dbraw/zinc/95/87/72/831958772.db2.gz HTJNEJBKVIIMHK-HZPDHXFCSA-N 3 0 325.501 -0.188 20 0 EBADRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161449349 831959017 /nfs/dbraw/zinc/95/90/17/831959017.db2.gz MEKSVYGREVVCOZ-RRFJBIMHSA-N 3 0 340.468 -0.473 20 0 EBADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@@]2(C(=O)OC)CC[NH2+][C@H]2C1 ZINC001161476789 831962308 /nfs/dbraw/zinc/96/23/08/831962308.db2.gz DPJLADLOEHAMHV-PGUXBMHVSA-N 2 0 327.381 -0.980 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)C1=NO[C@]3(CC[NH2+]C3)C1)CC2 ZINC001161476501 831962617 /nfs/dbraw/zinc/96/26/17/831962617.db2.gz CRAQJBZBRVPEIR-MAZHCROVSA-N 2 0 336.392 -0.752 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]([NH3+])Cc1cscn1)CC2 ZINC001161478332 831963105 /nfs/dbraw/zinc/96/31/05/831963105.db2.gz LOZDAMLUGIVQMZ-ZOWXZIJZSA-N 2 0 338.433 -0.234 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)COC1CC[NH2+]CC1)CC2 ZINC001161479191 831963652 /nfs/dbraw/zinc/96/36/52/831963652.db2.gz OYXHPXMDOGQHFO-XJKSGUPXSA-N 2 0 325.409 -0.491 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)CCCCNC(N)=[NH2+])CC2 ZINC001161477688 831963680 /nfs/dbraw/zinc/96/36/80/831963680.db2.gz FZAZNPUNNLAPSB-NHYWBVRUSA-N 2 0 325.413 -0.607 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)c1cnc3n1CC[NH2+]CC3)CC2 ZINC001161483141 831964154 /nfs/dbraw/zinc/96/41/54/831964154.db2.gz KTDJMRHEVWNVND-SUMWQHHRSA-N 2 0 347.419 -0.604 20 0 EBADRP COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[C@@H](OC)CC[NH2+]1)CC2 ZINC001161482602 831964233 /nfs/dbraw/zinc/96/42/33/831964233.db2.gz WTALZSWCEJKTSK-JFILPPLUSA-N 2 0 325.409 -0.493 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001161481434 831964236 /nfs/dbraw/zinc/96/42/36/831964236.db2.gz SQFYXJWBPUSZFW-HEHGZKQESA-N 3 0 326.441 -0.414 20 0 EBADRP COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1C[C@@H]3CC[NH2+]C[C@H]3O1)CC2 ZINC001161481286 831964368 /nfs/dbraw/zinc/96/43/68/831964368.db2.gz XJFJWGLPGHANSH-JEJJNBGPSA-N 2 0 337.420 -0.493 20 0 EBADRP C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H]2Cn3nnnc3C23CC[NH2+]CC3)C1 ZINC001161490156 831965902 /nfs/dbraw/zinc/96/59/02/831965902.db2.gz TTXCMSYLKIWHIR-WFASDCNBSA-N 2 0 333.440 -0.489 20 0 EBADRP CS(=O)(=O)NCC[NH2+]CCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001161872347 831999264 /nfs/dbraw/zinc/99/92/64/831999264.db2.gz CEOIMVVZLFKXQC-UHFFFAOYSA-N 2 0 339.421 -0.407 20 0 EBADRP COCC1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001162170656 832023118 /nfs/dbraw/zinc/02/31/18/832023118.db2.gz CDVMUIMUDHBNMN-UONOGXRCSA-N 2 0 340.468 -0.201 20 0 EBADRP Cn1cncc1C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162871934 832067140 /nfs/dbraw/zinc/06/71/40/832067140.db2.gz BEXNSPWVWPUDPQ-GULBITTBSA-N 2 0 333.436 -0.121 20 0 EBADRP O=C(NCCC[NH2+][C@H]1CCCNC1=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872380 832069288 /nfs/dbraw/zinc/06/92/88/832069288.db2.gz QDLRRDNFEZNTKB-CWVKQELPSA-N 2 0 336.436 -0.776 20 0 EBADRP NC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001163224414 832091592 /nfs/dbraw/zinc/09/15/92/832091592.db2.gz UXSCSMFHSVAUMG-CYBMUJFWSA-N 2 0 325.413 -0.848 20 0 EBADRP O=C(NCCC[NH2+]CCN1CCNC1=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001163231528 832091933 /nfs/dbraw/zinc/09/19/33/832091933.db2.gz DEOROSSQAAAKDP-OAHLLOKOSA-N 2 0 337.468 -0.018 20 0 EBADRP O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cncc(OCC[NH+]3CCCC3)n2)N1 ZINC001163240158 832092637 /nfs/dbraw/zinc/09/26/37/832092637.db2.gz XLSOSFPBEACOOV-MLGOLLRUSA-N 2 0 332.408 -0.059 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001350069867 832112807 /nfs/dbraw/zinc/11/28/07/832112807.db2.gz SFADPXGMLOOILG-GJZGRUSLSA-N 2 0 340.468 -0.471 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001350333643 832155431 /nfs/dbraw/zinc/15/54/31/832155431.db2.gz NUFZIQDZAWGKQJ-ZDUSSCGKSA-N 2 0 340.468 -0.201 20 0 EBADRP C[NH+]1CCN(c2ccccc2CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC001350333625 832155457 /nfs/dbraw/zinc/15/54/57/832155457.db2.gz NRUYRMURDSCKQD-HNNXBMFYSA-N 2 0 345.447 -0.467 20 0 EBADRP O=C(NCCn1ccnc1)C(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001350639062 832181361 /nfs/dbraw/zinc/18/13/61/832181361.db2.gz IXQSDUPZASDNLD-AWEZNQCLSA-N 2 0 335.408 -0.943 20 0 EBADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1 ZINC001164456710 832189493 /nfs/dbraw/zinc/18/94/93/832189493.db2.gz XKKQOSYMCXJEIU-AWEZNQCLSA-N 2 0 348.513 -0.247 20 0 EBADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+][C@@H]2CCCN(C)C2=O)C1 ZINC001164539358 832195864 /nfs/dbraw/zinc/19/58/64/832195864.db2.gz ZHYGZJIBCUBCLM-CABCVRRESA-N 2 0 340.468 -0.188 20 0 EBADRP CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1=O ZINC001164536199 832196059 /nfs/dbraw/zinc/19/60/59/832196059.db2.gz NVAJWKCCIUVOOT-HUUCEWRRSA-N 2 0 340.468 -0.188 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)c1occc1C[NH+](C)C ZINC001165245790 832207634 /nfs/dbraw/zinc/20/76/34/832207634.db2.gz HJTQTGMKJGXXEE-UHFFFAOYSA-N 2 0 339.396 -0.494 20 0 EBADRP C[NH+](C)CC1(C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCOC2)CC1 ZINC001165270024 832209812 /nfs/dbraw/zinc/20/98/12/832209812.db2.gz AXWKBIIFPBGWPI-AWEZNQCLSA-N 2 0 340.468 -0.423 20 0 EBADRP [NH3+][C@]12C[C@H]1CN(c1nc(N3CCOCC3)nc(N3CCOCC3)n1)C2 ZINC001165315565 832214949 /nfs/dbraw/zinc/21/49/49/832214949.db2.gz VMUNAPHAUVIPTQ-LRDDRELGSA-N 2 0 347.423 -0.918 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165366639 832217737 /nfs/dbraw/zinc/21/77/37/832217737.db2.gz BKLMSEDFKPCIKZ-GFCCVEGCSA-N 2 0 329.445 -0.342 20 0 EBADRP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1ncnc2c1CC[NH2+]CC2 ZINC001165407890 832219281 /nfs/dbraw/zinc/21/92/81/832219281.db2.gz ZPYUFDMTHSRCKS-TUKIKUTGSA-N 2 0 331.420 -0.105 20 0 EBADRP Cn1cc(N2CC[C@H]([NH2+]CCCNC(=O)CC[NH+](C)C)C2=O)cn1 ZINC001165781103 832237289 /nfs/dbraw/zinc/23/72/89/832237289.db2.gz GDKWWORPCQAHPO-AWEZNQCLSA-N 2 0 336.440 -0.427 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]CCCNC(=O)C2CC[NH+](C)CC2)CCO1 ZINC001165777834 832237433 /nfs/dbraw/zinc/23/74/33/832237433.db2.gz ZLMWEGOBQKKYQN-CQSZACIVSA-N 2 0 340.468 -0.329 20 0 EBADRP C[NH+]1CCC(C(=O)NCCC[NH2+]CC(=O)NC[C@@H]2CCCO2)CC1 ZINC001165772806 832237517 /nfs/dbraw/zinc/23/75/17/832237517.db2.gz ZKJXPFFCXVWHHU-HNNXBMFYSA-N 2 0 340.468 -0.281 20 0 EBADRP C[NH+](C)CCC(=O)NCCC[NH2+]C[C@H](O)COCC(F)(F)F ZINC001165781123 832237531 /nfs/dbraw/zinc/23/75/31/832237531.db2.gz GYZDBPLLOLLREV-NSHDSACASA-N 2 0 329.363 -0.026 20 0 EBADRP C[NH+]1CCC(C(=O)NCCC[NH2+]C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001165776363 832237598 /nfs/dbraw/zinc/23/75/98/832237598.db2.gz HHNYIEDMALETLG-CYBMUJFWSA-N 2 0 331.482 -0.141 20 0 EBADRP C[NH+](C)CCC(=O)NCCC[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC001165793839 832237990 /nfs/dbraw/zinc/23/79/90/832237990.db2.gz CEJPPZUGOZNZJT-UHFFFAOYSA-N 2 0 341.456 -0.198 20 0 EBADRP CC(C)[C@H](C(=O)NCCC[NH2+]CCN1CCCS1(=O)=O)[NH+](C)C ZINC001166010122 832245820 /nfs/dbraw/zinc/24/58/20/832245820.db2.gz IGPIQQCGSNVJAD-CQSZACIVSA-N 2 0 348.513 -0.296 20 0 EBADRP CC(C)[C@H](C(=O)NCCC[NH2+]C[C@H](O)Cn1cccn1)[NH+](C)C ZINC001166010915 832246063 /nfs/dbraw/zinc/24/60/63/832246063.db2.gz VIMFORYGMSXXRI-LSDHHAIUSA-N 2 0 325.457 -0.074 20 0 EBADRP CC[C@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)[NH+](CC)CC ZINC001166448448 832261756 /nfs/dbraw/zinc/26/17/56/832261756.db2.gz TUILVGSSQYPWEZ-VXGBXAGGSA-N 2 0 329.445 -0.214 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166633846 832275835 /nfs/dbraw/zinc/27/58/35/832275835.db2.gz KWDKHVLBLXYHEC-OLZOCXBDSA-N 2 0 341.456 -0.199 20 0 EBADRP CS(=O)(=O)c1nc2c(c(N3CCC([NH3+])CC3)n1)CC[NH2+]CC2 ZINC001166661561 832277388 /nfs/dbraw/zinc/27/73/88/832277388.db2.gz JSWFFAKQLHRMEK-UHFFFAOYSA-N 2 0 325.438 -0.504 20 0 EBADRP COCCOC[C@H](O)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166676674 832278514 /nfs/dbraw/zinc/27/85/14/832278514.db2.gz AYGDKPNFJBTBES-LSDHHAIUSA-N 2 0 331.457 -0.552 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001166707702 832281108 /nfs/dbraw/zinc/28/11/08/832281108.db2.gz IFCLLLVJXKLYFU-CHWSQXEVSA-N 2 0 341.456 -0.484 20 0 EBADRP COCCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001166708380 832282500 /nfs/dbraw/zinc/28/25/00/832282500.db2.gz PKSHNGWRPAZVPA-ZIAGYGMSSA-N 2 0 328.457 -0.567 20 0 EBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CCN1CCCS1(=O)=O ZINC001166714506 832282817 /nfs/dbraw/zinc/28/28/17/832282817.db2.gz LHJFFRUTYOQHEZ-KGLIPLIRSA-N 2 0 346.497 -0.685 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C)(O)C2)C[C@H]1C[NH+](C)C ZINC001351839075 832285002 /nfs/dbraw/zinc/28/50/02/832285002.db2.gz YECKVTJJPGHLKR-CKEIUWERSA-N 2 0 340.468 -0.833 20 0 EBADRP CC[C@@H](C(=O)NCCC[NH2+]CCN1C(=O)NC(C)(C)C1=O)[NH+](C)C ZINC001166852784 832293597 /nfs/dbraw/zinc/29/35/97/832293597.db2.gz WQZAUIOJRZQXLY-LBPRGKRZSA-N 2 0 341.456 -0.247 20 0 EBADRP C[C@@H](COCC(=O)NCCC[NH2+]Cc1cn(C)nn1)[NH+]1CCCC1 ZINC001166930711 832300498 /nfs/dbraw/zinc/30/04/98/832300498.db2.gz MJWZLWDKSYKQEU-AWEZNQCLSA-N 2 0 338.456 -0.088 20 0 EBADRP C[C@@H](COCC(=O)NCCC[NH2+]CC(=O)N1CCC1)[NH+]1CCCC1 ZINC001166931196 832300653 /nfs/dbraw/zinc/30/06/53/832300653.db2.gz RWHINNHEAUZCQJ-HNNXBMFYSA-N 2 0 340.468 -0.185 20 0 EBADRP CN(C[C@@H]1CC[NH2+]C1)c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001166955116 832302833 /nfs/dbraw/zinc/30/28/33/832302833.db2.gz QPJNIGXUXFKOBI-LLVKDONJSA-N 2 0 339.465 -0.386 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001167626694 832360269 /nfs/dbraw/zinc/36/02/69/832360269.db2.gz FMIGCSVFCYNCPQ-ZDUSSCGKSA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)[NH+]1CCCCCC1 ZINC001167620869 832360456 /nfs/dbraw/zinc/36/04/56/832360456.db2.gz ULBDFJGWZXAACB-AWEZNQCLSA-N 2 0 348.513 -0.104 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001167609750 832360856 /nfs/dbraw/zinc/36/08/56/832360856.db2.gz PLDKVMRPEJOQLB-CYBMUJFWSA-N 2 0 341.456 -0.198 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC1(C[NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001167641208 832361718 /nfs/dbraw/zinc/36/17/18/832361718.db2.gz VWUPHNCYMIHZAB-UHFFFAOYSA-N 2 0 338.456 -0.174 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NCCC2(C[NH2+]CC(=O)NC(N)=O)CC2)C1 ZINC001167732542 832368255 /nfs/dbraw/zinc/36/82/55/832368255.db2.gz GREZTPKRZDSJID-GFCCVEGCSA-N 2 0 339.440 -0.601 20 0 EBADRP O=C(NCCC1(C[NH2+][C@@H]2CCC(=O)NC2=O)CC1)C12CC[NH+](CC1)C2 ZINC001167746284 832369739 /nfs/dbraw/zinc/36/97/39/832369739.db2.gz KBYIDOZEBXZNKH-CYBMUJFWSA-N 2 0 348.447 -0.237 20 0 EBADRP CS(=O)(=O)CCn1cc(NC(=[NH2+])NCCCC[NH3+])ccc1=O ZINC001167882406 832381074 /nfs/dbraw/zinc/38/10/74/832381074.db2.gz RCOUEJPELHOEOF-UHFFFAOYSA-N 2 0 329.426 -0.432 20 0 EBADRP Cn1[nH]c(C[NH2+]CCCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)nc1=O ZINC001168022411 832387419 /nfs/dbraw/zinc/38/74/19/832387419.db2.gz OTOSULULRQAKID-OLZOCXBDSA-N 2 0 336.440 -0.279 20 0 EBADRP COC[C@@H](O)C[NH2+]CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001168051654 832391051 /nfs/dbraw/zinc/39/10/51/832391051.db2.gz GKMSRJPUPKAZHB-AWEZNQCLSA-N 2 0 327.429 -0.839 20 0 EBADRP C[C@@H]([NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1)C(=O)NC(N)=O ZINC001168146328 832399635 /nfs/dbraw/zinc/39/96/35/832399635.db2.gz FDYMKLAFYHJCDA-NEPJUHHUSA-N 2 0 339.440 -0.602 20 0 EBADRP C[C@@H]1O[C@@H](OCC[NH2+]C2CCC([NH+](C)C)CC2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001168316519 832413850 /nfs/dbraw/zinc/41/38/50/832413850.db2.gz ZKSNEFYYGOAUML-JKOHXGSPSA-N 2 0 332.441 -0.707 20 0 EBADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCNCC[NH2+]CC1 ZINC001353449224 832428502 /nfs/dbraw/zinc/42/85/02/832428502.db2.gz WSLUQZZNESNNEE-AWEZNQCLSA-N 2 0 325.457 -0.651 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001353448214 832428576 /nfs/dbraw/zinc/42/85/76/832428576.db2.gz NUDCWTKKQLWBCX-HUUCEWRRSA-N 2 0 340.468 -0.343 20 0 EBADRP CC[NH+](CC)CC(=O)NCCC[NH2+][C@H](C)C(=O)NCCCOC ZINC001168762517 832434232 /nfs/dbraw/zinc/43/42/32/832434232.db2.gz DSEZXMSLWLJNHX-CQSZACIVSA-N 2 0 330.473 -0.035 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[NH+](CC)CC ZINC001168747108 832434335 /nfs/dbraw/zinc/43/43/35/832434335.db2.gz FHLVKQCQVOFNOH-GFCCVEGCSA-N 2 0 329.445 -0.342 20 0 EBADRP [NH3+]Cc1cnnn1-c1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1 ZINC001169311122 832457389 /nfs/dbraw/zinc/45/73/89/832457389.db2.gz CEYMZPDKJXOMFW-UHFFFAOYSA-N 2 0 336.421 -0.244 20 0 EBADRP C[NH+]1CCC(OCC(=O)NCCC[NH2+]CC(=O)N2CCCC2)CC1 ZINC001169530581 832465740 /nfs/dbraw/zinc/46/57/40/832465740.db2.gz DIZYDWQKGDWAAT-UHFFFAOYSA-N 2 0 340.468 -0.185 20 0 EBADRP C[NH+]1CCC(NC(=O)c2ccc(NC[C@H]3COCC[NH2+]3)nn2)CC1 ZINC001170043705 832488354 /nfs/dbraw/zinc/48/83/54/832488354.db2.gz XMNXPUFJAQELDJ-ZDUSSCGKSA-N 2 0 334.424 -0.299 20 0 EBADRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001170221976 832493240 /nfs/dbraw/zinc/49/32/40/832493240.db2.gz GSJIWQCWAUPAIF-AWEZNQCLSA-N 2 0 328.457 -0.423 20 0 EBADRP C[NH+](C)CCOCC(=O)NCCC[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001171205189 832550744 /nfs/dbraw/zinc/55/07/44/832550744.db2.gz QBORIQOFVFFIER-AWEZNQCLSA-N 2 0 349.497 -0.515 20 0 EBADRP COc1ccc(C[NH2+]CCCNC(=O)COCC[NH+](C)C)nn1 ZINC001171205847 832550783 /nfs/dbraw/zinc/55/07/83/832550783.db2.gz YEEYVCZZCPGKGV-UHFFFAOYSA-N 2 0 325.413 -0.341 20 0 EBADRP CN(CC[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)S(C)(=O)=O ZINC001171219286 832552126 /nfs/dbraw/zinc/55/21/26/832552126.db2.gz XFPRWJMVRNHQSL-ZDUSSCGKSA-N 2 0 334.486 -0.685 20 0 EBADRP COCCCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171219202 832552522 /nfs/dbraw/zinc/55/25/22/832552522.db2.gz VKGIATFAPNDGME-CQSZACIVSA-N 2 0 346.472 -0.798 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+]C[C@H](O)CN2CCCC2=O)C1 ZINC001171227050 832552642 /nfs/dbraw/zinc/55/26/42/832552642.db2.gz MBAKCDFBUYAPMJ-GJZGRUSLSA-N 2 0 340.468 -0.593 20 0 EBADRP C[C@H](CCCC[NH2+]CC(=O)NC(N)=O)NC(=O)C[N@H+](C)C1CCC1 ZINC001171261229 832554878 /nfs/dbraw/zinc/55/48/78/832554878.db2.gz RYJXTWDPFQYPNQ-GFCCVEGCSA-N 2 0 341.456 -0.070 20 0 EBADRP C[NH+](C)CCCCC(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001171579203 832566181 /nfs/dbraw/zinc/56/61/81/832566181.db2.gz PSBIGJFCOXOONN-UHFFFAOYSA-N 2 0 328.457 -0.327 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O ZINC001171725046 832573788 /nfs/dbraw/zinc/57/37/88/832573788.db2.gz FOTPUIOHDJUZAL-UHFFFAOYSA-N 2 0 336.502 -0.294 20 0 EBADRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001171731362 832574131 /nfs/dbraw/zinc/57/41/31/832574131.db2.gz DXJOZZRGCNVTAL-HNNXBMFYSA-N 2 0 342.484 -0.033 20 0 EBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCN2CCC[N@H+](C)CC2)C[C@@H]1C(=O)OC ZINC001173567511 832584663 /nfs/dbraw/zinc/58/46/63/832584663.db2.gz GGBCITZECQGEES-QKDCVEJESA-N 2 0 341.452 -0.046 20 0 EBADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CCC([NH3+])CC2)CC[N@@H+]1C ZINC001356427641 832628124 /nfs/dbraw/zinc/62/81/24/832628124.db2.gz LYLADYFZDXVLHU-OCCSQVGLSA-N 2 0 325.457 -0.875 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001176056863 832654280 /nfs/dbraw/zinc/65/42/80/832654280.db2.gz LHCLANYEZQNQRT-ZIAGYGMSSA-N 2 0 331.482 -0.141 20 0 EBADRP COCCS(=O)(=O)CCC[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176110380 832657974 /nfs/dbraw/zinc/65/79/74/832657974.db2.gz NLEHRPZQTTUKJQ-UHFFFAOYSA-N 2 0 349.497 -0.371 20 0 EBADRP CC(C)(C)NC(=O)NC(=O)C[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176110345 832658172 /nfs/dbraw/zinc/65/81/72/832658172.db2.gz LWLUYZPNVVLRHL-UHFFFAOYSA-N 2 0 341.456 -0.198 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CC(=O)N1CCCC1 ZINC001176161442 832660162 /nfs/dbraw/zinc/66/01/62/832660162.db2.gz PYBQWWFSPRLUGK-OAHLLOKOSA-N 2 0 340.468 -0.327 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001176161428 832660239 /nfs/dbraw/zinc/66/02/39/832660239.db2.gz PRQLCCMHKOFLHB-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)COCC[NH+](C)C ZINC001176167431 832661303 /nfs/dbraw/zinc/66/13/03/832661303.db2.gz ZKWIAJWJXIEWEK-UONOGXRCSA-N 2 0 330.473 -0.036 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001176169400 832661305 /nfs/dbraw/zinc/66/13/05/832661305.db2.gz KLRCGNLGFHXISG-ZDUSSCGKSA-N 2 0 326.441 -0.671 20 0 EBADRP CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CCC[NH+]1CCCC1 ZINC001176884698 832700382 /nfs/dbraw/zinc/70/03/82/832700382.db2.gz PCIYHCKOKOKNFY-ZDUSSCGKSA-N 2 0 341.456 -0.198 20 0 EBADRP COC[C@@H](C)OC[C@H](O)C[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176971707 832722390 /nfs/dbraw/zinc/72/23/90/832722390.db2.gz FXOWFOLTGOMSQX-HUUCEWRRSA-N 2 0 333.473 -0.165 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001176998643 832730409 /nfs/dbraw/zinc/73/04/09/832730409.db2.gz FBTMSEKHLOBVQE-AWEZNQCLSA-N 2 0 341.456 -0.342 20 0 EBADRP CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)NC(N)=O)[NH+]1CCCCC1 ZINC001176996737 832730880 /nfs/dbraw/zinc/73/08/80/832730880.db2.gz AQSGTBDRMMNKCZ-CQSZACIVSA-N 2 0 341.456 -0.212 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178357252 832854394 /nfs/dbraw/zinc/85/43/94/832854394.db2.gz YKIKEKBSHWICIR-RWMBFGLXSA-N 2 0 339.440 -0.495 20 0 EBADRP C[C@H]([NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C)C(=O)NC(N)=O ZINC001179337014 832970484 /nfs/dbraw/zinc/97/04/84/832970484.db2.gz GVKOGNIPGOYYIQ-CYDGBPFRSA-N 2 0 339.440 -0.367 20 0 EBADRP C[C@H]1[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001179431388 832978127 /nfs/dbraw/zinc/97/81/27/832978127.db2.gz XXJFFOJHPXCUSO-AVGNSLFASA-N 2 0 336.436 -0.288 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179434883 832978205 /nfs/dbraw/zinc/97/82/05/832978205.db2.gz BJSBHQWYXZDWQV-STQMWFEESA-N 2 0 341.456 -0.247 20 0 EBADRP C[C@H]1[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001179431389 832978267 /nfs/dbraw/zinc/97/82/67/832978267.db2.gz XXJFFOJHPXCUSO-RWMBFGLXSA-N 2 0 336.436 -0.288 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]CCCCCCNC(=O)CC[NH+](C)C ZINC001179461319 832981140 /nfs/dbraw/zinc/98/11/40/832981140.db2.gz GRWIUMJQUWHDRQ-UHFFFAOYSA-N 2 0 329.445 -0.340 20 0 EBADRP CO[C@@H]1C[N@H+](CCOCCO)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001212430468 837681738 /nfs/dbraw/zinc/68/17/38/837681738.db2.gz OJLVPBVYVIJBJY-ARFHVFGLSA-N 2 0 343.468 -0.315 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001187283922 833915761 /nfs/dbraw/zinc/91/57/61/833915761.db2.gz FHKQTVCGLDSQGL-OAHLLOKOSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CCCN3C(=O)CNC3=O)C2)C1 ZINC001187825531 833971137 /nfs/dbraw/zinc/97/11/37/833971137.db2.gz PEEKBANHFSNGRA-QWHCGFSZSA-N 2 0 337.424 -0.930 20 0 EBADRP COCCOCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001187850995 833973994 /nfs/dbraw/zinc/97/39/94/833973994.db2.gz KZGMVPJBNAFTBV-HZPDHXFCSA-N 2 0 343.468 -0.192 20 0 EBADRP O=C(CCC[NH+]1CCCC1)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001188106784 834004021 /nfs/dbraw/zinc/00/40/21/834004021.db2.gz WPHWSSIAXFGSCC-ZIAGYGMSSA-N 2 0 336.436 -0.142 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001188145727 834013261 /nfs/dbraw/zinc/01/32/61/834013261.db2.gz LQWNPGFENJGEEL-CQSZACIVSA-N 2 0 326.441 -0.624 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001188158014 834014627 /nfs/dbraw/zinc/01/46/27/834014627.db2.gz CWXGFKYSTZIKQT-OAHLLOKOSA-N 2 0 328.457 -0.330 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189659581 834177059 /nfs/dbraw/zinc/17/70/59/834177059.db2.gz DIYOUIRSNAKXJN-BFHYXJOUSA-N 2 0 336.436 -0.334 20 0 EBADRP COCCOCC[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189802460 834192989 /nfs/dbraw/zinc/19/29/89/834192989.db2.gz ZTERRAUEAKBPPF-JKSUJKDBSA-N 2 0 343.468 -0.240 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@H]2CN(CCS(C)(=O)=O)C[C@H]21 ZINC001189801350 834193767 /nfs/dbraw/zinc/19/37/67/834193767.db2.gz DEYYWFFLXQPTNN-UONOGXRCSA-N 2 0 347.481 -0.858 20 0 EBADRP COC[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001213327333 837745605 /nfs/dbraw/zinc/74/56/05/837745605.db2.gz IKXZNYXULAOIMV-RFBLXINOSA-N 2 0 343.468 -0.461 20 0 EBADRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cncc(N2CCOCC2)n1 ZINC001190778386 834338102 /nfs/dbraw/zinc/33/81/02/834338102.db2.gz UDUPYXJWVNPSAN-UHFFFAOYSA-N 2 0 349.439 -0.009 20 0 EBADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCOCCOC)C[C@H]1OC)[NH+](C)C ZINC001213458263 837780293 /nfs/dbraw/zinc/78/02/93/837780293.db2.gz QPKUOUGGGOAUKX-QLFBSQMISA-N 2 0 331.457 -0.195 20 0 EBADRP CC[NH+](CC)CC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)C(=O)NC(N)=O)C1 ZINC001192947476 834769286 /nfs/dbraw/zinc/76/92/86/834769286.db2.gz IVWFOWYXRHSVQK-RYUDHWBXSA-N 2 0 327.429 -0.556 20 0 EBADRP C[C@H](C(=O)NC1CC1)[N@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487801 834886523 /nfs/dbraw/zinc/88/65/23/834886523.db2.gz FZRQUETXJZIYDO-HIFRSBDPSA-N 2 0 340.468 -0.236 20 0 EBADRP CN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)C1=O ZINC001193487995 834888409 /nfs/dbraw/zinc/88/84/09/834888409.db2.gz JYSGCZGLWFHQGP-ZIAGYGMSSA-N 2 0 326.441 -0.672 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)[C@H](C)C(=O)NC(N)=O)C1 ZINC001193612146 834915402 /nfs/dbraw/zinc/91/54/02/834915402.db2.gz ZQFJNIYPVFWRPS-CHWSQXEVSA-N 2 0 341.456 -0.166 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]([N@H+](C)CCOCCO)C1 ZINC001194026665 835000774 /nfs/dbraw/zinc/00/07/74/835000774.db2.gz ICWHGYCGDAQUDU-HOTGVXAUSA-N 2 0 343.468 -0.504 20 0 EBADRP CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194103384 835025381 /nfs/dbraw/zinc/02/53/81/835025381.db2.gz ZIIKNBBYLMWXKM-HUUCEWRRSA-N 2 0 343.468 -0.457 20 0 EBADRP Cn1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)cc1=O ZINC001195692052 835272820 /nfs/dbraw/zinc/27/28/20/835272820.db2.gz UKEDKVKBYJALPD-HUUCEWRRSA-N 2 0 336.436 -0.612 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1CN(CCOC[C@@H]2CCCO2)C[C@H]1O ZINC001195708230 835276242 /nfs/dbraw/zinc/27/62/42/835276242.db2.gz JMYUBCPDYFBVKS-ARFHVFGLSA-N 2 0 343.468 -0.315 20 0 EBADRP CC[NH+](CC)CCCNC(=S)NCCC[NH+](CCO)CCO ZINC001196697252 835447501 /nfs/dbraw/zinc/44/75/01/835447501.db2.gz QCQFSSFCQDRMHU-UHFFFAOYSA-N 2 0 334.530 -0.141 20 0 EBADRP CNC(=O)NC(=O)CN1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001197048246 835498762 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328.457 -0.330 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCCO[C@@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001201808972 836195809 /nfs/dbraw/zinc/19/58/09/836195809.db2.gz IUGVAMJHNLSXOJ-LSDHHAIUSA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H](O)CCC[NH2+]C[C@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201863287 836207903 /nfs/dbraw/zinc/20/79/03/836207903.db2.gz KQCCSRWLCJFKAF-HOTGVXAUSA-N 2 0 345.484 -0.067 20 0 EBADRP COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201871331 836209215 /nfs/dbraw/zinc/20/92/15/836209215.db2.gz JAKJSWYVCGQTHQ-CABCVRRESA-N 2 0 341.452 -0.703 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCCO[C@@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001201924443 836216264 /nfs/dbraw/zinc/21/62/64/836216264.db2.gz LTKXMVKLIDCUSB-KGLIPLIRSA-N 2 0 328.457 -0.201 20 0 EBADRP CCC[N@H+](C)CC(=O)N1CCCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001201930570 836217326 /nfs/dbraw/zinc/21/73/26/836217326.db2.gz DGBKUAYNXGVZLH-ZIAGYGMSSA-N 2 0 326.441 -0.576 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCCO[C@H](C[NH2+]CCOCCO)C1 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EBADRP C[NH+](C)CCOCC(=O)N1CCC(C[NH2+]CCn2cncn2)CC1 ZINC001206872478 836686270 /nfs/dbraw/zinc/68/62/70/836686270.db2.gz GKGVORIRNWACJD-UHFFFAOYSA-N 2 0 338.456 -0.316 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1CCC(C[NH2+]CC(=O)NC(N)=O)CC1 ZINC001206889511 836694318 /nfs/dbraw/zinc/69/43/18/836694318.db2.gz VKIQDKJFHGMNCD-UHFFFAOYSA-N 2 0 341.456 -0.259 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001206954760 836727767 /nfs/dbraw/zinc/72/77/67/836727767.db2.gz WBXMIMBOVLLVBK-AWEZNQCLSA-N 2 0 338.452 -0.040 20 0 EBADRP C[NH+](C)CC1(C(=O)N2CCC[C@@H]([NH2+]CCN3CCNC3=O)C2)CC1 ZINC001209302003 837154313 /nfs/dbraw/zinc/15/43/13/837154313.db2.gz BCTAVEHPANOHMU-CQSZACIVSA-N 2 0 337.468 -0.066 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209313699 837154603 /nfs/dbraw/zinc/15/46/03/837154603.db2.gz GCUAXSYPIDQHFM-CHWSQXEVSA-N 2 0 341.456 -0.247 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001209323798 837155864 /nfs/dbraw/zinc/15/58/64/837155864.db2.gz MLYMEGLGPXHOHP-CYBMUJFWSA-N 2 0 341.456 -0.246 20 0 EBADRP COCCOC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209453865 837167348 /nfs/dbraw/zinc/16/73/48/837167348.db2.gz FHKIQPBRHMTEKG-CABCVRRESA-N 2 0 331.457 -0.457 20 0 EBADRP CC(=O)NCCOCC[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209455477 837167653 /nfs/dbraw/zinc/16/76/53/837167653.db2.gz TWMXSUYIIRQIBR-HNNXBMFYSA-N 2 0 328.457 -0.329 20 0 EBADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH2+]CC(=O)NC(N)=O)C2)C1 ZINC001209643701 837185360 /nfs/dbraw/zinc/18/53/60/837185360.db2.gz VOGBGKBWLYHABR-NEPJUHHUSA-N 2 0 325.413 -0.896 20 0 EBADRP CC1CC[NH+](CC(=O)N2CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C2)CC1 ZINC001210282790 837265173 /nfs/dbraw/zinc/26/51/73/837265173.db2.gz KCKKRLDPSRSIHZ-CYBMUJFWSA-N 2 0 339.440 -0.506 20 0 EBADRP C[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001210315197 837268999 /nfs/dbraw/zinc/26/89/99/837268999.db2.gz LWCCWOFWVJVXJX-MCIONIFRSA-N 2 0 326.441 -0.720 20 0 EBADRP CNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001210338545 837272890 /nfs/dbraw/zinc/27/28/90/837272890.db2.gz FYZZAGTTXLFBNM-KGLIPLIRSA-N 2 0 340.468 -0.188 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CCNS(=O)(=O)CC)C1 ZINC001210493895 837290228 /nfs/dbraw/zinc/29/02/28/837290228.db2.gz OUXHPFRHBNFZQL-CQSZACIVSA-N 2 0 348.513 -0.152 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1C ZINC001210529073 837295268 /nfs/dbraw/zinc/29/52/68/837295268.db2.gz PBOTWPSUOUDBPB-CHWSQXEVSA-N 2 0 339.440 -0.684 20 0 EBADRP CN(C(=O)C[NH2+][C@H]1CCCN(C(=O)COCC[NH+](C)C)C1)C1CC1 ZINC001210669457 837317034 /nfs/dbraw/zinc/31/70/34/837317034.db2.gz XSCZNUKMDKEOOC-AWEZNQCLSA-N 2 0 340.468 -0.234 20 0 EBADRP CCN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210676671 837318138 /nfs/dbraw/zinc/31/81/38/837318138.db2.gz HHSGZOYGSFAMFJ-CQSZACIVSA-N 2 0 328.457 -0.377 20 0 EBADRP CS(=O)(=O)NCC[NH2+][C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210683862 837318522 /nfs/dbraw/zinc/31/85/22/837318522.db2.gz COKCXXMLVRZEAL-ZDUSSCGKSA-N 2 0 344.481 -0.788 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCNS(C)(=O)=O)C2)C1 ZINC001211072578 837379302 /nfs/dbraw/zinc/37/93/02/837379302.db2.gz UDLHXJSFHAEEDM-CHWSQXEVSA-N 2 0 332.470 -0.932 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211080470 837381594 /nfs/dbraw/zinc/38/15/94/837381594.db2.gz CPWFFADBESKLCC-AWEZNQCLSA-N 2 0 346.497 -0.398 20 0 EBADRP COCCCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001211080085 837381727 /nfs/dbraw/zinc/38/17/27/837381727.db2.gz AFESXRMUEDLKMS-HNNXBMFYSA-N 2 0 340.468 -0.185 20 0 EBADRP CCN1CCO[C@H](C(=O)N[C@@H]2C[N@H+](CCCCOC)C[C@H]2OC)C1 ZINC001213892342 837894567 /nfs/dbraw/zinc/89/45/67/837894567.db2.gz BBQMZLWAYREJHG-OAGGEKHMSA-N 2 0 343.468 -0.051 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCNS(C)(=O)=O)C1 ZINC001319130543 838077010 /nfs/dbraw/zinc/07/70/10/838077010.db2.gz ZAVJAMNNNARZCY-CHWSQXEVSA-N 2 0 332.470 -0.932 20 0 EBADRP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[NH2+]CCNS(C)(=O)=O ZINC001319189715 838084494 /nfs/dbraw/zinc/08/44/94/838084494.db2.gz PLYMSQVGYHUYAI-GXTWGEPZSA-N 2 0 346.497 -0.781 20 0 EBADRP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]CCN1CCNC1=O ZINC001319204835 838087625 /nfs/dbraw/zinc/08/76/25/838087625.db2.gz IADYFYMHSOFUOQ-CQSZACIVSA-N 2 0 337.468 -0.018 20 0 EBADRP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCN1C(=O)CCC1=O ZINC001319934522 838197111 /nfs/dbraw/zinc/19/71/11/838197111.db2.gz CYJGEFGHPORGMO-ZIAGYGMSSA-N 2 0 338.452 -0.040 20 0 EBADRP O=C(NC[C@@H](O)C[NH2+]CCC[C@H]1CCOC1)C12CC[NH+](CC1)C2 ZINC001320296526 838749172 /nfs/dbraw/zinc/74/91/72/838749172.db2.gz SCJGQCCSMIMDQW-GJZGRUSLSA-N 2 0 325.453 -0.034 20 0 EBADRP CCCNC(=O)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001320633694 838807766 /nfs/dbraw/zinc/80/77/66/838807766.db2.gz JWPUHDHLUVJSGA-CHWSQXEVSA-N 2 0 341.456 -0.342 20 0 EBADRP CCN(CC[NH2+]CCN1CCCS1(=O)=O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001320694470 838818656 /nfs/dbraw/zinc/81/86/56/838818656.db2.gz MWWQMJMVBLKKHA-AWEZNQCLSA-N 2 0 346.497 -0.446 20 0 EBADRP CCN(CC[NH2+]CCNS(C)(=O)=O)C(=O)C12CCC[NH+]1CCC2 ZINC001320783431 838837123 /nfs/dbraw/zinc/83/71/23/838837123.db2.gz ZYJPHJDRCRMBGL-UHFFFAOYSA-N 2 0 346.497 -0.398 20 0 EBADRP C[C@H](C[NH2+]CCN1C(=O)CNC1=O)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001321543408 839014140 /nfs/dbraw/zinc/01/41/40/839014140.db2.gz OWDDSDCSDCXRFB-CHWSQXEVSA-N 2 0 339.440 -0.493 20 0 EBADRP CN(CCC[NH2+]CC(=O)NC(N)=O)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001322567056 839203955 /nfs/dbraw/zinc/20/39/55/839203955.db2.gz VMJXTQKEDSTJTO-OLZOCXBDSA-N 2 0 339.440 -0.364 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[NH+]3CCC[C@H]3C2)C1 ZINC001322810926 839271922 /nfs/dbraw/zinc/27/19/22/839271922.db2.gz JGDKICOHVZQHOD-GJZGRUSLSA-N 2 0 338.452 -0.480 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[NH+]2CCC[C@@H]2C1 ZINC001322961298 839307403 /nfs/dbraw/zinc/30/74/03/839307403.db2.gz FTQDYIJPDGGDNX-HUUCEWRRSA-N 2 0 337.468 -0.955 20 0 EBADRP C[NH+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]CCNS(C)(=O)=O)C1 ZINC001324784666 839714133 /nfs/dbraw/zinc/71/41/33/839714133.db2.gz UPBFURHSSKNNIX-AWEZNQCLSA-N 2 0 334.486 -0.685 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)CCO1 ZINC001325347306 839851887 /nfs/dbraw/zinc/85/18/87/839851887.db2.gz YJMXRQZBYXWCAM-CRWXNKLISA-N 2 0 326.441 -0.450 20 0 EBADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)CCO1 ZINC001325347309 839851951 /nfs/dbraw/zinc/85/19/51/839851951.db2.gz YJMXRQZBYXWCAM-XUXIUFHCSA-N 2 0 326.441 -0.450 20 0 EBADRP CNC(=O)C[NH2+]CCN(CCO)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001326121322 840040359 /nfs/dbraw/zinc/04/03/59/840040359.db2.gz IFBYIBFUUJOKKF-UHFFFAOYSA-N 2 0 328.457 -0.737 20 0 EBADRP CC(C)(C)NC(=O)C[NH2+]CCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001326149300 840050226 /nfs/dbraw/zinc/05/02/26/840050226.db2.gz VBZAWLIXVCNKNJ-UHFFFAOYSA-N 2 0 328.457 -0.593 20 0 EBADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@H](O)CN3CC[NH+](C)CC3)C2)CC1 ZINC001326155310 840052154 /nfs/dbraw/zinc/05/21/54/840052154.db2.gz DFKQIBAYCXHINA-WMZOPIPTSA-N 3 0 339.528 -0.647 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001326364341 840092172 /nfs/dbraw/zinc/09/21/72/840092172.db2.gz JKOLCTUHIUZFPL-NEPJUHHUSA-N 2 0 327.429 -0.650 20 0 EBADRP O=C(C1CC[NH+](CC2CC2)CC1)N1CCO[C@@H](C[NH2+]CCO)C1 ZINC001327050448 840286011 /nfs/dbraw/zinc/28/60/11/840286011.db2.gz XGRGYKSIPYBJBN-INIZCTEOSA-N 2 0 325.453 -0.082 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CCO[C@@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001327049579 840286638 /nfs/dbraw/zinc/28/66/38/840286638.db2.gz SKRFOQCJWGWTNX-ZDUSSCGKSA-N 2 0 335.470 -0.810 20 0 EBADRP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC(N)=O)CC1 ZINC001327162575 840316300 /nfs/dbraw/zinc/31/63/00/840316300.db2.gz JROCFPNLORMHCQ-ZDUSSCGKSA-N 2 0 341.456 -0.116 20 0 EBADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001327486126 840433362 /nfs/dbraw/zinc/43/33/62/840433362.db2.gz PAQPTDXYVJMSAB-ZDUSSCGKSA-N 2 0 340.468 -0.295 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@](CO)([NH2+]CCCO)C1 ZINC001327606692 840471432 /nfs/dbraw/zinc/47/14/32/840471432.db2.gz GASCWMZDWMFTHX-WBVHZDCISA-N 2 0 343.468 -0.720 20 0 EBADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001328452775 840679800 /nfs/dbraw/zinc/67/98/00/840679800.db2.gz ZPESWZOOEVGLAC-IHRRRGAJSA-N 2 0 340.468 -0.155 20 0 EBADRP CN1CC[NH+](CCCCNC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC001328578495 840709220 /nfs/dbraw/zinc/70/92/20/840709220.db2.gz UQMTZVQRSNITLX-UHFFFAOYSA-N 2 0 337.472 -0.226 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC2=CC[N@H+](C)CC2)cn1 ZINC001328656531 840724514 /nfs/dbraw/zinc/72/45/14/840724514.db2.gz IMBLGBPXQAFWIP-UHFFFAOYSA-N 2 0 334.424 -0.239 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CCNS(C)(=O)=O)C1 ZINC001328671392 840727223 /nfs/dbraw/zinc/72/72/23/840727223.db2.gz AGPKBIRNDAHCLL-KBPBESRZSA-N 2 0 346.497 -0.542 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC001329201481 840872631 /nfs/dbraw/zinc/87/26/31/840872631.db2.gz CKQIPJWGZZBLON-RYUDHWBXSA-N 2 0 327.429 -0.639 20 0 EBADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC001329824362 841031007 /nfs/dbraw/zinc/03/10/07/841031007.db2.gz WDTWCOJYMMYXDJ-AWEZNQCLSA-N 2 0 341.456 -0.654 20 0 EBADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001329841378 841038089 /nfs/dbraw/zinc/03/80/89/841038089.db2.gz DQXXUIPPGSBPTK-GXTWGEPZSA-N 2 0 326.441 -0.530 20 0 EBADRP COCC[NH2+][C@H](C)[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)CCO1 ZINC001330421914 841196030 /nfs/dbraw/zinc/19/60/30/841196030.db2.gz BATAEXMXYCLPEN-GDBMZVCRSA-N 2 0 343.468 -0.051 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCOC2)C[C@H]1C[NH+](C)C ZINC001330510464 841224627 /nfs/dbraw/zinc/22/46/27/841224627.db2.gz SFLAERCDCMJMKH-RBSFLKMASA-N 2 0 340.468 -0.663 20 0 EBADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001330524195 841227437 /nfs/dbraw/zinc/22/74/37/841227437.db2.gz CDGWPZJJWTYBLB-CHWSQXEVSA-N 2 0 326.441 -0.672 20 0 EBADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001330543093 841233779 /nfs/dbraw/zinc/23/37/79/841233779.db2.gz FZTKCGZFLLOCDY-CYBMUJFWSA-N 2 0 326.441 -0.448 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCN3C(=O)CCC3=O)C2)C1 ZINC001330700138 841260245 /nfs/dbraw/zinc/26/02/45/841260245.db2.gz JUBKWRZTKDAVGT-MGPQQGTHSA-N 2 0 336.436 -0.429 20 0 EBADRP CSCCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001330742429 841265799 /nfs/dbraw/zinc/26/57/99/841265799.db2.gz PCRGJFHWYRYINJ-LBPRGKRZSA-N 2 0 328.482 -0.250 20 0 EBADRP CC(C)[C@@H](CNC(=O)C(=O)NCCC(C)(C)[NH3+])N1CC[NH+](C)CC1 ZINC001331140404 841351311 /nfs/dbraw/zinc/35/13/11/841351311.db2.gz KVAPTVJDYNDNDG-CQSZACIVSA-N 2 0 341.500 -0.382 20 0 EBADRP CN1CC[C@H]([N@H+](C)CCOCCNC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001331162295 841361251 /nfs/dbraw/zinc/36/12/51/841361251.db2.gz VOBJKBJHOPAKJW-KGLIPLIRSA-N 2 0 326.441 -0.767 20 0 EBADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001331166223 841361907 /nfs/dbraw/zinc/36/19/07/841361907.db2.gz BYCAZJXURXSOOJ-CQSZACIVSA-N 2 0 339.484 -0.661 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C[NH+](C)C ZINC001331182279 841365165 /nfs/dbraw/zinc/36/51/65/841365165.db2.gz BOWYQLGPISDKIW-TUVASFSCSA-N 3 0 339.484 -0.962 20 0 EBADRP C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001331193664 841367371 /nfs/dbraw/zinc/36/73/71/841367371.db2.gz XHXXHOXTLKAHOF-AWEZNQCLSA-N 2 0 339.484 -0.661 20 0 EBADRP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001331314943 841390120 /nfs/dbraw/zinc/39/01/20/841390120.db2.gz MHVBPHASDBRWTN-UONOGXRCSA-N 2 0 326.441 -0.767 20 0 EBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001331669566 841455576 /nfs/dbraw/zinc/45/55/76/841455576.db2.gz SLHGTTOAAVXEEC-BETUJISGSA-N 2 0 326.441 -0.591 20 0 EBADRP CC[NH2+]CCCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001331877814 841524504 /nfs/dbraw/zinc/52/45/04/841524504.db2.gz YYWDICAWNYLKPI-XQQFMLRXSA-N 2 0 325.413 -0.438 20 0 EBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)COC2CC[NH2+]CC2)C1 ZINC001332125888 841579179 /nfs/dbraw/zinc/57/91/79/841579179.db2.gz TYQXECMCQYOCAY-CYBMUJFWSA-N 2 0 326.441 -0.541 20 0 EBADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCC[C@H](C)[NH3+])C1 ZINC001333624409 841918038 /nfs/dbraw/zinc/91/80/38/841918038.db2.gz DZYDBEBVMWQIBB-UONOGXRCSA-N 2 0 328.457 -0.201 20 0 EBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CCCO1 ZINC001333899257 841963128 /nfs/dbraw/zinc/96/31/28/841963128.db2.gz UEALOTPFEQBUMN-UONOGXRCSA-N 2 0 326.441 -0.447 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCC1)C[NH+](C)C ZINC001334035360 841986566 /nfs/dbraw/zinc/98/65/66/841986566.db2.gz UGDMGZUAELYPMJ-CYBMUJFWSA-N 2 0 328.457 -0.330 20 0 EBADRP C[N@@H+]1C[C@@H]2CCN(C(=O)NCCC[NH+]3CCC[C@@H](C(N)=O)C3)[C@@H]2C1 ZINC001334198889 842009043 /nfs/dbraw/zinc/00/90/43/842009043.db2.gz TWIKDLJPGUYWLI-RRFJBIMHSA-N 2 0 337.468 -0.081 20 0 EBADRP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC001334198893 842009235 /nfs/dbraw/zinc/00/92/35/842009235.db2.gz TWIKDLJPGUYWLI-ZNMIVQPWSA-N 2 0 337.468 -0.081 20 0 EBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](CC[NH3+])C2)CC1 ZINC001335207114 842225319 /nfs/dbraw/zinc/22/53/19/842225319.db2.gz PHDUGQLNWYBDJF-CYBMUJFWSA-N 2 0 326.441 -0.589 20 0 EBADRP O=C(NCC[NH+]1CC=CC1)[C@@H]1CC[C@@H]1C(=O)NCC[NH+]1CC=CC1 ZINC001335513966 842297643 /nfs/dbraw/zinc/29/76/43/842297643.db2.gz YXTHLAAGMIRDAV-IYBDPMFKSA-N 2 0 332.448 -0.011 20 0 EBADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001335751468 842349759 /nfs/dbraw/zinc/34/97/59/842349759.db2.gz NZQHMEXBQLGDRN-KRWDZBQOSA-N 2 0 342.484 -0.073 20 0 EBADRP [NH3+]C1CCN(CCNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001335767394 842352541 /nfs/dbraw/zinc/35/25/41/842352541.db2.gz DQYONOBEHZAJTG-CABCVRRESA-N 2 0 337.468 -0.731 20 0 EBADRP C[NH2+]C1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC001336293458 842430646 /nfs/dbraw/zinc/43/06/46/842430646.db2.gz CXDMUOOSMUVMRG-GJZGRUSLSA-N 2 0 338.452 -0.746 20 0 EBADRP CCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@]([NH3+])(CO)C2)CC1 ZINC001336555124 842492759 /nfs/dbraw/zinc/49/27/59/842492759.db2.gz XQTRYCQUYXOHKS-MRXNPFEDSA-N 2 0 326.441 -0.711 20 0 EBADRP C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)NC[C@@H]3COCC[NH2+]3)C[C@H]2C1 ZINC001336659512 842530817 /nfs/dbraw/zinc/53/08/17/842530817.db2.gz UJTXLVRMCSPURK-KBUPBQIOSA-N 2 0 338.452 -0.720 20 0 EBADRP CC1(C)CN(C(=O)C(=O)N[C@H]2CCCN3CCSC[C@@H]23)CC[NH2+]1 ZINC001336669919 842531835 /nfs/dbraw/zinc/53/18/35/842531835.db2.gz DRKKWXPNMMLAPG-STQMWFEESA-N 2 0 340.493 -0.107 20 0 EBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NCCCCCN2CC[NH2+]CC2)C1 ZINC001336943234 842563222 /nfs/dbraw/zinc/56/32/22/842563222.db2.gz VCZREDYUKWJJFR-MRXNPFEDSA-N 2 0 327.473 -0.572 20 0 EBADRP CCN(C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC001337321779 842602897 /nfs/dbraw/zinc/60/28/97/842602897.db2.gz GTPIIVISQXBGJV-GJZGRUSLSA-N 2 0 340.468 -0.186 20 0 EBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001337337728 842603692 /nfs/dbraw/zinc/60/36/92/842603692.db2.gz GNNFXUNLMYVDBO-QLFBSQMISA-N 2 0 338.452 -0.578 20 0 EBADRP CN(C(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1)C1(C[NH3+])CCOCC1 ZINC001337850861 842709771 /nfs/dbraw/zinc/70/97/71/842709771.db2.gz RRBMYOHEWOZLLA-ZDUSSCGKSA-N 2 0 326.441 -0.637 20 0 EBADRP O=C(NCC1=CC[NH2+]CC1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001337943734 842724753 /nfs/dbraw/zinc/72/47/53/842724753.db2.gz SKTLQYFYPNIYED-MJBXVCDLSA-N 2 0 335.408 -0.517 20 0 EBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cn1 ZINC001338555004 842830059 /nfs/dbraw/zinc/83/00/59/842830059.db2.gz GBSGZMWAKICMQO-SUMWQHHRSA-N 2 0 348.451 -0.207 20 0 EBADRP CN1CC[NH+](C2CCN(C(=O)C3CN(C)CC[N@H+](C)C3)CC2)CC1 ZINC001339722249 842938064 /nfs/dbraw/zinc/93/80/64/842938064.db2.gz KSAUVRZBBQEXGS-UHFFFAOYSA-N 2 0 337.512 -0.282 20 0 EBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC001340206285 842981808 /nfs/dbraw/zinc/98/18/08/842981808.db2.gz QTKKWMXSZABIOJ-HEHGZKQESA-N 2 0 326.441 -0.842 20 0 EBADRP O=C(C[C@@H]1NC(=O)NC1=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001341040240 843051158 /nfs/dbraw/zinc/05/11/58/843051158.db2.gz JXTKKMRBICOINX-XQQFMLRXSA-N 2 0 335.408 -0.988 20 0 EBADRP [NH3+]CCN1CCC[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1=O ZINC001341924783 843126062 /nfs/dbraw/zinc/12/60/62/843126062.db2.gz ZJIXDYKGCVSPNO-ZNMIVQPWSA-N 2 0 338.452 -0.759 20 0 EBADRP C[C@@H]1CN(CCNC(=O)[C@H]2CCCN(CC[NH3+])C2=O)[C@@H](C)CO1 ZINC001342106133 843140058 /nfs/dbraw/zinc/14/00/58/843140058.db2.gz HCQWYOBWZNOBTO-BFHYXJOUSA-N 2 0 326.441 -0.591 20 0 EBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@H](CO)C3)C2)CC1 ZINC001342137405 843143172 /nfs/dbraw/zinc/14/31/72/843143172.db2.gz XZMNNAHVMDSHGP-KBPBESRZSA-N 2 0 338.452 -0.888 20 0 EBADRP COCC[NH2+]C1CCN(C(=O)CCNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC001342143918 843143266 /nfs/dbraw/zinc/14/32/66/843143266.db2.gz WGGVIMWWLIYXHW-HNNXBMFYSA-N 2 0 328.457 -0.297 20 0 EBADRP C[C@H]1COCC[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001342765308 843179255 /nfs/dbraw/zinc/17/92/55/843179255.db2.gz DCRMWHMZOCXKRU-KBPBESRZSA-N 2 0 328.457 -0.521 20 0 EBADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(C)CC[NH+](C)CC2)C1 ZINC001342982888 843190639 /nfs/dbraw/zinc/19/06/39/843190639.db2.gz ZMDQMZVBAQNYON-HNNXBMFYSA-N 2 0 327.473 -0.404 20 0 EBADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC001345268592 843382425 /nfs/dbraw/zinc/38/24/25/843382425.db2.gz GZESDCIEFOEPMD-CYBMUJFWSA-N 2 0 333.436 -0.164 20 0 EBADRP C[C@H]1SCC[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001345919795 843462273 /nfs/dbraw/zinc/46/22/73/843462273.db2.gz OPVXSJWSZBLMTP-CHWSQXEVSA-N 2 0 330.498 -0.052 20 0 EBADRP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001345913663 843462517 /nfs/dbraw/zinc/46/25/17/843462517.db2.gz TZNVFHRZPIEULX-QLFBSQMISA-N 2 0 340.468 -0.188 20 0 EBADRP CCO[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+])C[NH+](C)C ZINC001345967437 843466917 /nfs/dbraw/zinc/46/69/17/843466917.db2.gz JXHFZJUYOSNTPJ-MJBXVCDLSA-N 2 0 328.457 -0.297 20 0 EBADRP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@@H+]1C ZINC001346156024 843482377 /nfs/dbraw/zinc/48/23/77/843482377.db2.gz LUOYOUJZKMGGRK-CHWSQXEVSA-N 2 0 336.440 -0.018 20 0 EBADRP CN(CCC[NH3+])C(=O)C(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC001347074829 843587488 /nfs/dbraw/zinc/58/74/88/843587488.db2.gz FWVWXOIEGNQVFC-UHFFFAOYSA-N 2 0 347.463 -0.138 20 0 EBADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC001347075546 843588490 /nfs/dbraw/zinc/58/84/90/843588490.db2.gz SRNBOUZUSBKCLF-NEPJUHHUSA-N 2 0 348.407 -1.000 20 0 EBADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001347090686 843590833 /nfs/dbraw/zinc/59/08/33/843590833.db2.gz KXTJTFDOIKXSNC-ZDUSSCGKSA-N 2 0 340.468 -0.282 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001349023523 843792537 /nfs/dbraw/zinc/79/25/37/843792537.db2.gz HOFVBEPZPKHWOU-KGLIPLIRSA-N 2 0 326.441 -0.861 20 0 EBADRP C[C@@H](CN(C)C(=O)CC[NH+](C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001574721122 949811632 /nfs/dbraw/zinc/81/16/32/949811632.db2.gz JKBHCWQGVVZQOA-NSHDSACASA-N 2 0 332.412 -0.106 20 0 EBADRP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576207724 950601839 /nfs/dbraw/zinc/60/18/39/950601839.db2.gz IWRRARSAAVEWKJ-VXGBXAGGSA-N 2 0 344.423 -0.058 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCNS(C)(=O)=O)C1CC1 ZINC001670455131 1125803979 /nfs/dbraw/zinc/80/39/79/1125803979.db2.gz DUEODOFRPWOXSM-OLZOCXBDSA-N 2 0 332.470 -0.886 20 0 EBADRP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CCC(=O)NC1=O ZINC001691037753 1125808965 /nfs/dbraw/zinc/80/89/65/1125808965.db2.gz XYYYXXOTKNGFBS-IHRRRGAJSA-N 2 0 338.452 -0.040 20 0 EBADRP CN(CC[NH2+]CC(=O)NC[C@@H]1CCOC1)C(=O)C1CC[NH+](C)CC1 ZINC001691459055 1125881713 /nfs/dbraw/zinc/88/17/13/1125881713.db2.gz QQSOUQBLTPSVPG-AWEZNQCLSA-N 2 0 340.468 -0.471 20 0 EBADRP CN(CC[NH2+]CC(=O)NC[C@H]1CCOC1)C(=O)C1CC[NH+](C)CC1 ZINC001691459056 1125881764 /nfs/dbraw/zinc/88/17/64/1125881764.db2.gz QQSOUQBLTPSVPG-CQSZACIVSA-N 2 0 340.468 -0.471 20 0 EBADRP CC[C@H](C(=O)NCCN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC001408634904 1125896796 /nfs/dbraw/zinc/89/67/96/1125896796.db2.gz JSXNGSIPMDLWSQ-LSDHHAIUSA-N 2 0 342.484 -0.131 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCCN1CC(=O)N1CCOCC1 ZINC001481069957 1125917104 /nfs/dbraw/zinc/91/71/04/1125917104.db2.gz FIVZBYLKNVMSMN-HNNXBMFYSA-N 2 0 340.468 -0.234 20 0 EBADRP CCC[N@H+](CCNC(=O)[C@H](CC)[NH+](C)C)[C@H]1CCC(=O)NC1=O ZINC001481147772 1125931053 /nfs/dbraw/zinc/93/10/53/1125931053.db2.gz MLGFKBLDMLPZDC-STQMWFEESA-N 2 0 326.441 -0.040 20 0 EBADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001481269209 1125958676 /nfs/dbraw/zinc/95/86/76/1125958676.db2.gz CQBRHLIOWMRKRD-ZIAGYGMSSA-N 2 0 338.452 -0.038 20 0 EBADRP CC(C)[C@H](C(=O)NCC[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1)[NH+](C)C ZINC001481447227 1125991625 /nfs/dbraw/zinc/99/16/25/1125991625.db2.gz OMMFUIWQDISGLP-GXTWGEPZSA-N 2 0 341.456 -0.404 20 0 EBADRP CNC(=O)NC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001481480500 1126000571 /nfs/dbraw/zinc/00/05/71/1126000571.db2.gz AEHLUKCTOVJJGA-OLZOCXBDSA-N 2 0 339.440 -0.684 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001481497098 1126003418 /nfs/dbraw/zinc/00/34/18/1126003418.db2.gz IDZVMQTZVFXARE-NWDGAFQWSA-N 2 0 327.429 -0.698 20 0 EBADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)C[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001481507984 1126005693 /nfs/dbraw/zinc/00/56/93/1126005693.db2.gz DRHYIFSHOUUSMM-NWDGAFQWSA-N 2 0 336.396 -0.753 20 0 EBADRP CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC(=O)NC(=O)NC ZINC001481846296 1126061265 /nfs/dbraw/zinc/06/12/65/1126061265.db2.gz XLSJTMSHSUNSAQ-LLVKDONJSA-N 2 0 327.429 -0.732 20 0 EBADRP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001481879595 1126064551 /nfs/dbraw/zinc/06/45/51/1126064551.db2.gz VMSVMSRJVXZUHS-CABCVRRESA-N 2 0 340.468 -0.186 20 0 EBADRP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)NC(N)=O ZINC001482061895 1126074891 /nfs/dbraw/zinc/07/48/91/1126074891.db2.gz ROBMBUDEXKEQIP-UPJWGTAASA-N 2 0 339.440 -0.365 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC(CC[NH2+]CC(=O)NC(N)=O)CC1 ZINC001482004132 1126071513 /nfs/dbraw/zinc/07/15/13/1126071513.db2.gz OPWBQPLMDDSGPF-UHFFFAOYSA-N 2 0 327.429 -0.649 20 0 EBADRP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001482100515 1126077604 /nfs/dbraw/zinc/07/76/04/1126077604.db2.gz FEYZYVHNKQDRMQ-STQMWFEESA-N 2 0 338.456 -0.177 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001482168435 1126089997 /nfs/dbraw/zinc/08/99/97/1126089997.db2.gz NIPKWTDKYPDABD-NWDGAFQWSA-N 2 0 327.429 -0.732 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001482365916 1126139313 /nfs/dbraw/zinc/13/93/13/1126139313.db2.gz MYNAFNKJJHECEQ-LSDHHAIUSA-N 2 0 342.484 -0.131 20 0 EBADRP C[NH+](C)[C@H](CNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2C[NH2+]C[C@@H]12)C1CC1 ZINC001648966006 1126172843 /nfs/dbraw/zinc/17/28/43/1126172843.db2.gz BFLCQVDHPLNDDG-XJFOESAGSA-N 2 0 329.466 -0.535 20 0 EBADRP CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001648970725 1126184801 /nfs/dbraw/zinc/18/48/01/1126184801.db2.gz VUPKPLJOGQNWDY-GUTXKFCHSA-N 2 0 326.441 -0.545 20 0 EBADRP CCC[N@H+](C)CC(=O)NC[C@@H]([NH2+][C@@H]1CCC(=O)NC1=O)C(C)C ZINC001482565610 1126198363 /nfs/dbraw/zinc/19/83/63/1126198363.db2.gz JGIVAIRHVMGJKM-CHWSQXEVSA-N 2 0 326.441 -0.136 20 0 EBADRP C[NH+](C)CCC(=O)N1CC(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001409098664 1126198949 /nfs/dbraw/zinc/19/89/49/1126198949.db2.gz GNCZCWYOQPTDCV-UHFFFAOYSA-N 2 0 326.441 -0.624 20 0 EBADRP CC(C)[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@H]1CCC(=O)NC1=O ZINC001482570727 1126199656 /nfs/dbraw/zinc/19/96/56/1126199656.db2.gz FAOIUKUPUFBPOA-STQMWFEESA-N 2 0 326.441 -0.138 20 0 EBADRP CS(=O)(=O)CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cn1ccnc1 ZINC001482699932 1126253888 /nfs/dbraw/zinc/25/38/88/1126253888.db2.gz XBFAZMYJDNBNGQ-CHWSQXEVSA-N 2 0 328.438 -0.198 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@@H](O)C[NH2+]CC(=O)N2CCCC2)CCC1 ZINC001482737691 1126272173 /nfs/dbraw/zinc/27/21/73/1126272173.db2.gz SAHQVPCIDYQUKD-ZDUSSCGKSA-N 2 0 326.441 -0.840 20 0 EBADRP C[N@H+](CC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCCC1)C1CCC1 ZINC001482737961 1126272460 /nfs/dbraw/zinc/27/24/60/1126272460.db2.gz WVENMJIOCRZBOZ-CQSZACIVSA-N 2 0 326.441 -0.840 20 0 EBADRP CN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)CC2CC[NH+](C)CC2)C1=O ZINC001482774143 1126284852 /nfs/dbraw/zinc/28/48/52/1126284852.db2.gz HLPLGXQCJVTSBK-ZIAGYGMSSA-N 2 0 326.441 -0.984 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC1CC1 ZINC001482775535 1126285494 /nfs/dbraw/zinc/28/54/94/1126285494.db2.gz RUWPBLZNAQOFCP-LSDHHAIUSA-N 2 0 340.468 -0.405 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)Nc2ccccc2)C1 ZINC001482792473 1126288313 /nfs/dbraw/zinc/28/83/13/1126288313.db2.gz ZOKROOCXBWFHBW-HIFRSBDPSA-N 2 0 334.420 -0.357 20 0 EBADRP C[NH+](C)CCOCC(=O)N1CC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001358623732 1131234785 /nfs/dbraw/zinc/23/47/85/1131234785.db2.gz KOBFGJPVVQKNLR-GJZGRUSLSA-N 2 0 340.468 -0.377 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001482867430 1126299084 /nfs/dbraw/zinc/29/90/84/1126299084.db2.gz IFEPNXODDBMKID-LBPRGKRZSA-N 2 0 341.456 -0.342 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001482868016 1126299188 /nfs/dbraw/zinc/29/91/88/1126299188.db2.gz ONTRYIKHYVJXAI-VXGBXAGGSA-N 2 0 341.456 -0.343 20 0 EBADRP CCN(CC[NH2+]C[C@H](O)CN1CCCC1=O)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482941999 1126304718 /nfs/dbraw/zinc/30/47/18/1126304718.db2.gz DZWDEKYFDUVZMB-LSDHHAIUSA-N 2 0 340.468 -0.498 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NC(=O)NCC ZINC001483133177 1126343064 /nfs/dbraw/zinc/34/30/64/1126343064.db2.gz SGPWFJARJPSVPC-CHWSQXEVSA-N 2 0 341.456 -0.199 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001483136744 1126344695 /nfs/dbraw/zinc/34/46/95/1126344695.db2.gz AMBXBQPBWJMKEA-LLVKDONJSA-N 2 0 339.440 -0.447 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001483183879 1126351526 /nfs/dbraw/zinc/35/15/26/1126351526.db2.gz GGPUDASHVHNXQT-LLVKDONJSA-N 2 0 337.424 -0.835 20 0 EBADRP C[C@H](C[NH2+]CC(=O)NC(=O)NC1CC1)NC(=O)C[NH+]1CCCC1 ZINC001483192883 1126352434 /nfs/dbraw/zinc/35/24/34/1126352434.db2.gz JICPZGKSYONSET-LLVKDONJSA-N 2 0 325.413 -0.835 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CCN(C)S(C)(=O)=O)CC[N@@H+]1C ZINC001483228369 1126355593 /nfs/dbraw/zinc/35/55/93/1126355593.db2.gz OHJPZMLTSKPDPX-MELADBBJSA-N 2 0 348.513 -0.298 20 0 EBADRP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCOCC1 ZINC001483227104 1126355778 /nfs/dbraw/zinc/35/57/78/1126355778.db2.gz UKWPCZPYIGLFHW-LSDHHAIUSA-N 2 0 340.468 -0.188 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001409369332 1126359405 /nfs/dbraw/zinc/35/94/05/1126359405.db2.gz BVRAOWAXWZSRLA-QWRGUYRKSA-N 2 0 327.429 -0.733 20 0 EBADRP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[N@H+](C)CCN1CCNC1=O ZINC001409587824 1126380281 /nfs/dbraw/zinc/38/02/81/1126380281.db2.gz YFHMYBBWTDUCGR-UKRRQHHQSA-N 2 0 337.468 -0.210 20 0 EBADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)CCCS(=O)(=O)N(C)C ZINC001409692621 1126393358 /nfs/dbraw/zinc/39/33/58/1126393358.db2.gz WEYQWQDIHGDUEB-ZIAGYGMSSA-N 2 0 348.513 -0.344 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)CCCS(=O)(=O)N(C)C ZINC001409692604 1126393424 /nfs/dbraw/zinc/39/34/24/1126393424.db2.gz WEYQWQDIHGDUEB-KBPBESRZSA-N 2 0 348.513 -0.344 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001483294035 1126414646 /nfs/dbraw/zinc/41/46/46/1126414646.db2.gz QKAKCABILUESOS-KGLIPLIRSA-N 2 0 328.457 -0.473 20 0 EBADRP C[C@@H](C[N@H+](C)CCCN1C(=O)CNC1=O)NC(=O)Cc1c[nH]cn1 ZINC001483391054 1126422920 /nfs/dbraw/zinc/42/29/20/1126422920.db2.gz MLFBGFMXVNESHQ-NSHDSACASA-N 2 0 336.396 -0.669 20 0 EBADRP CN(CCC[NH2+]C[C@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001483508862 1126432079 /nfs/dbraw/zinc/43/20/79/1126432079.db2.gz COYZIJNVYSWGPT-KGLIPLIRSA-N 2 0 331.482 -0.189 20 0 EBADRP CN1CC[NH2+]C[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC001649027259 1126471102 /nfs/dbraw/zinc/47/11/02/1126471102.db2.gz MFKATDSQNCOXMH-DLBZAZTESA-N 2 0 332.448 -0.227 20 0 EBADRP CN(CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1)S(C)(=O)=O ZINC001483744992 1126468130 /nfs/dbraw/zinc/46/81/30/1126468130.db2.gz TZNXLCHXUDYWDA-CYBMUJFWSA-N 2 0 346.497 -0.400 20 0 EBADRP O=C(N(CCO)CC[NH2+]C[C@@H]1CCCOC1)C12CC[NH+](CC1)C2 ZINC001672702140 1126473591 /nfs/dbraw/zinc/47/35/91/1126473591.db2.gz SOHUPZFWZOPLAC-HNNXBMFYSA-N 2 0 325.453 -0.081 20 0 EBADRP C[C@H]([NH2+]C1(CNC(=O)CC[NH+](C)C)CC1)C(=O)Nc1ncccn1 ZINC001483763640 1126473905 /nfs/dbraw/zinc/47/39/05/1126473905.db2.gz NFOIOYHALDHKDC-LBPRGKRZSA-N 2 0 334.424 -0.006 20 0 EBADRP C[NH+]1CCC(C(=O)NCC2([NH2+]CC(=O)N3CCOCC3)CC2)CC1 ZINC001483764952 1126474191 /nfs/dbraw/zinc/47/41/91/1126474191.db2.gz RSNQSFGWEURSFE-UHFFFAOYSA-N 2 0 338.452 -0.575 20 0 EBADRP CCN1CCO[C@H](C(=O)N[C@@H](C[NH2+]CC(N)=O)C2CCCC2)C1 ZINC001484012111 1126497078 /nfs/dbraw/zinc/49/70/78/1126497078.db2.gz PKZDABXGSQCZJC-KBPBESRZSA-N 2 0 326.441 -0.543 20 0 EBADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1 ZINC001484102176 1126506533 /nfs/dbraw/zinc/50/65/33/1126506533.db2.gz WSUKXLNQIIGLBU-KRWDZBQOSA-N 2 0 340.468 -0.342 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CCOCC1 ZINC001484181889 1126512431 /nfs/dbraw/zinc/51/24/31/1126512431.db2.gz LCARMBYLWAPOME-ZDUSSCGKSA-N 2 0 326.441 -0.401 20 0 EBADRP CC(C)NC(=O)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CCOCC1 ZINC001484187397 1126514262 /nfs/dbraw/zinc/51/42/62/1126514262.db2.gz IKDIHQKMSTYSEZ-UHFFFAOYSA-N 2 0 328.457 -0.282 20 0 EBADRP Cc1cccnc1C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001484210165 1126520503 /nfs/dbraw/zinc/52/05/03/1126520503.db2.gz CBRUZVDHYJOOOT-SJLPKXTDSA-N 2 0 348.447 -0.226 20 0 EBADRP C[NH+](C)CCc1ccc(C(=O)NC[C@@]2(O)CC[N@H+](CCO)C2)cc1 ZINC001484234482 1126534022 /nfs/dbraw/zinc/53/40/22/1126534022.db2.gz CCPAABLUXIWKTI-SFHVURJKSA-N 2 0 335.448 -0.050 20 0 EBADRP CNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001484235590 1126534969 /nfs/dbraw/zinc/53/49/69/1126534969.db2.gz KVXKDGPZINWWRB-SUMWQHHRSA-N 2 0 342.484 -0.348 20 0 EBADRP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C[NH2+]CCN1C(=O)CCC1=O ZINC001484378319 1126566435 /nfs/dbraw/zinc/56/64/35/1126566435.db2.gz WQFRUWHDOIMTNW-KGLIPLIRSA-N 2 0 338.452 -0.229 20 0 EBADRP C[N@H+](CC(=O)NCCN1CCC([NH2+]CC(N)=O)CC1)CC(C)(C)C ZINC001484421432 1126573356 /nfs/dbraw/zinc/57/33/56/1126573356.db2.gz CAJMIDUCVVIYAF-UHFFFAOYSA-N 2 0 341.500 -0.380 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]Cc1cccc(C(N)=O)c1 ZINC001484478184 1126590577 /nfs/dbraw/zinc/59/05/77/1126590577.db2.gz IVIOJTWXZJESOQ-MRXNPFEDSA-N 2 0 348.447 -0.210 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]CC(=O)N1CCCC1 ZINC001484478360 1126590598 /nfs/dbraw/zinc/59/05/98/1126590598.db2.gz NXAFEXIZLALFAX-CQSZACIVSA-N 2 0 326.441 -0.887 20 0 EBADRP Cc1cc(C[NH2+]CCN(CCO)C(=O)C23CC[NH+](CC2)C3)ncn1 ZINC001484498702 1126598295 /nfs/dbraw/zinc/59/82/95/1126598295.db2.gz UMTSHYOLEBXCAO-UHFFFAOYSA-N 2 0 333.436 -0.209 20 0 EBADRP CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2nc(=O)n(C)[nH]2)C1)[NH+](C)C ZINC001484538123 1126602878 /nfs/dbraw/zinc/60/28/78/1126602878.db2.gz UCKUPBGQCYCYGO-OLZOCXBDSA-N 2 0 338.456 -0.223 20 0 EBADRP CCN1CCO[C@H](C(=O)N(CCO)CCNCc2nccn2C)C1 ZINC001484500739 1126599370 /nfs/dbraw/zinc/59/93/70/1126599370.db2.gz BTQJXWBCOUNVSG-AWEZNQCLSA-N 2 0 339.440 -0.949 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCN2C(=O)CNC2=O)CCC1 ZINC001484628786 1126612516 /nfs/dbraw/zinc/61/25/16/1126612516.db2.gz ZNGFRDZBCFJLIF-GFCCVEGCSA-N 2 0 337.424 -0.739 20 0 EBADRP CN(CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1)S(C)(=O)=O ZINC001484662223 1126614952 /nfs/dbraw/zinc/61/49/52/1126614952.db2.gz CMDAOZINDYGZAE-CYBMUJFWSA-N 2 0 346.497 -0.542 20 0 EBADRP CCCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001484687280 1126621666 /nfs/dbraw/zinc/62/16/66/1126621666.db2.gz IOKGFDSOEYHVRT-HNNXBMFYSA-N 2 0 340.468 -0.329 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@H](C[NH2+]CC(=O)NC(C)(C)C)C2)C1 ZINC001484699301 1126622424 /nfs/dbraw/zinc/62/24/24/1126622424.db2.gz OEALIENQWWQULG-ZIAGYGMSSA-N 2 0 340.468 -0.330 20 0 EBADRP C[NH+](C)CCC(=O)N1CCC[C@@](CO)([NH2+]CC(=O)NC2CC2)C1 ZINC001484847183 1126643811 /nfs/dbraw/zinc/64/38/11/1126643811.db2.gz NIPYJBLKKCWTIX-MRXNPFEDSA-N 2 0 326.441 -0.840 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CCOCCO)C1 ZINC001484848542 1126641870 /nfs/dbraw/zinc/64/18/70/1126641870.db2.gz LGQYEUFMWNVDBV-RDJZCZTQSA-N 2 0 343.468 -0.577 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCOCC1 ZINC001484868727 1126647012 /nfs/dbraw/zinc/64/70/12/1126647012.db2.gz WZSVSEREDQXOBC-ZDUSSCGKSA-N 2 0 340.468 -0.282 20 0 EBADRP CNC(=O)C[NH2+]CC1(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC001484864734 1126647131 /nfs/dbraw/zinc/64/71/31/1126647131.db2.gz MYAUPZCMLBYCQQ-AWEZNQCLSA-N 2 0 340.468 -0.138 20 0 EBADRP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCN2CCNC2=O)[C@@H](C)C1 ZINC001484903361 1126651755 /nfs/dbraw/zinc/65/17/55/1126651755.db2.gz ABZSNNKUGXORRE-KBPBESRZSA-N 2 0 325.457 -0.210 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCN2CCOCC2)C[C@@H]1C ZINC001484982115 1126660539 /nfs/dbraw/zinc/66/05/39/1126660539.db2.gz QHEALENZIRKEHH-UONOGXRCSA-N 2 0 326.441 -0.576 20 0 EBADRP O=C(NC1CC(C[NH2+]CCN2C(=O)CNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001485107749 1126675324 /nfs/dbraw/zinc/67/53/24/1126675324.db2.gz ZOGMVLMDPRSFFA-UHFFFAOYSA-N 2 0 349.435 -0.882 20 0 EBADRP C[C@@H]([NH2+]CC(=O)N1CCOCC1)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001485226707 1126682398 /nfs/dbraw/zinc/68/23/98/1126682398.db2.gz NJJYFLQMXJWHSP-KGLIPLIRSA-N 2 0 326.441 -0.576 20 0 EBADRP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)[C@H](C)C(=O)NC(N)=O ZINC001485337064 1126689909 /nfs/dbraw/zinc/68/99/09/1126689909.db2.gz RKKVPJNHBQPGPQ-VXGBXAGGSA-N 2 0 341.456 -0.119 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@@H]1[C@H]2C[N@@H+](CCN3CCCC3=O)C[C@H]21 ZINC001485627621 1126769709 /nfs/dbraw/zinc/76/97/09/1126769709.db2.gz NXTMZURPIZNJBP-PHZGNYQRSA-N 2 0 334.464 -0.001 20 0 EBADRP C[C@@H]([NH2+]CCNC(=O)C1CC1)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001485645409 1126788597 /nfs/dbraw/zinc/78/85/97/1126788597.db2.gz UUVXCQDYSPYUHS-HIFRSBDPSA-N 2 0 340.468 -0.330 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N1CCC2(CO[C@H](C[NH2+]CC(N)=O)C2)CC1 ZINC001485673875 1126796444 /nfs/dbraw/zinc/79/64/44/1126796444.db2.gz SJGNFJMPMPLPOJ-AWEZNQCLSA-N 2 0 340.468 -0.201 20 0 EBADRP C[C@@H](CCC[NH2+]CC(=O)NC(N)=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485723071 1126813657 /nfs/dbraw/zinc/81/36/57/1126813657.db2.gz WLZUQSPMULHJRM-QJPTWQEYSA-N 2 0 327.429 -0.604 20 0 EBADRP C[N@@H+]1CC[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CS(=O)(=O)C4)CC[C@H]21 ZINC001649048075 1126864846 /nfs/dbraw/zinc/86/48/46/1126864846.db2.gz LOKQMAOHJKJJDG-XPCVCDNBSA-N 2 0 327.450 -0.827 20 0 EBADRP C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]CCN1C(=O)CCC1=O ZINC001485921225 1126916675 /nfs/dbraw/zinc/91/66/75/1126916675.db2.gz ZYKZDZKOCVNWQH-CYBMUJFWSA-N 2 0 338.452 -0.086 20 0 EBADRP Cn1ccc(C[NH2+][C@@H](CO)CNC(=O)C2(C[NH+](C)C)CC2)cc1=O ZINC001486025730 1126976619 /nfs/dbraw/zinc/97/66/19/1126976619.db2.gz ATZFAAHZOQPFFO-CQSZACIVSA-N 2 0 336.436 -0.706 20 0 EBADRP C[C@@H]([NH2+][C@@H](CO)CNC(=O)CC1CC[NH+](C)CC1)C(=O)NC1CC1 ZINC001486040938 1126987505 /nfs/dbraw/zinc/98/75/05/1126987505.db2.gz HBRSSOHPGRGHOD-IUODEOHRSA-N 2 0 340.468 -0.548 20 0 EBADRP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]C[C@H]1COc2ccccc2O1 ZINC001486031136 1127001813 /nfs/dbraw/zinc/00/18/13/1127001813.db2.gz OWCBISHGMDVYQC-KBPBESRZSA-N 2 0 337.420 -0.155 20 0 EBADRP CN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001486034653 1127004892 /nfs/dbraw/zinc/00/48/92/1127004892.db2.gz SPALWOPWVIDEIR-BLLLJJGKSA-N 2 0 346.447 -0.646 20 0 EBADRP CC[N@H+](C)CCC(=O)NC[C@H](CO)[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC001486052114 1127020967 /nfs/dbraw/zinc/02/09/67/1127020967.db2.gz YUFYIAVZWNRLAJ-KGLIPLIRSA-N 2 0 342.484 -0.206 20 0 EBADRP C[C@H]1[C@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)CCCC[NH+](C)C ZINC001486091194 1127030620 /nfs/dbraw/zinc/03/06/20/1127030620.db2.gz GLXARXSACIOULG-NWDGAFQWSA-N 2 0 327.429 -0.508 20 0 EBADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001486095202 1127031862 /nfs/dbraw/zinc/03/18/62/1127031862.db2.gz HJZIUUWSYHDVFV-ZIAGYGMSSA-N 2 0 346.497 -0.400 20 0 EBADRP CS(=O)(=O)NCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001486222166 1127064362 /nfs/dbraw/zinc/06/43/62/1127064362.db2.gz XLJXDQKPADUBIN-UONOGXRCSA-N 2 0 346.497 -0.494 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)C(C)(C)C1 ZINC001486247208 1127066179 /nfs/dbraw/zinc/06/61/79/1127066179.db2.gz AANBWONPBOAXMM-LLVKDONJSA-N 2 0 327.429 -0.650 20 0 EBADRP CN(C[C@H](O)C[NH2+]CC(=O)N(C)C1CC1)C(=O)C1([NH+](C)C)CCC1 ZINC001486280997 1127077496 /nfs/dbraw/zinc/07/74/96/1127077496.db2.gz LHKWMPTWGIUUAH-CQSZACIVSA-N 2 0 340.468 -0.500 20 0 EBADRP CC(C)[NH+]1CCC(C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)N(C)C)CC1 ZINC001486307846 1127112387 /nfs/dbraw/zinc/11/23/87/1127112387.db2.gz HXEMFUPTJADFQH-OAHLLOKOSA-N 2 0 342.484 -0.396 20 0 EBADRP CC[C@@H](C(N)=O)[N@H+](C)C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001486355993 1127149693 /nfs/dbraw/zinc/14/96/93/1127149693.db2.gz LHWIVYSKOQGRFP-OLZOCXBDSA-N 2 0 326.441 -0.903 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@@H](C[NH2+]CC(=O)NC(=O)NC)C(C)(C)C ZINC001486415511 1127172253 /nfs/dbraw/zinc/17/22/53/1127172253.db2.gz FQKOHIUGLGXCIP-LBPRGKRZSA-N 2 0 343.472 -0.096 20 0 EBADRP CCS(=O)(=O)NCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001486458166 1127179786 /nfs/dbraw/zinc/17/97/86/1127179786.db2.gz SUJZXBNGKGRVJJ-RUXDESIVSA-N 2 0 346.497 -0.401 20 0 EBADRP CN(C(=O)CC[NH+](C)C)C1CC([NH2+]CC(=O)N2CCOCC2)C1 ZINC001486475121 1127182467 /nfs/dbraw/zinc/18/24/67/1127182467.db2.gz ACMCADGJTUEFMA-UHFFFAOYSA-N 2 0 326.441 -0.624 20 0 EBADRP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]CCS(C)(=O)=O)C1 ZINC001486480794 1127184445 /nfs/dbraw/zinc/18/44/45/1127184445.db2.gz OFAUCEKPJADYHN-UHFFFAOYSA-N 2 0 329.466 -0.294 20 0 EBADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)N(C)C(=O)COCC[NH+](C)C ZINC001486827195 1127265780 /nfs/dbraw/zinc/26/57/80/1127265780.db2.gz XOHUMEGAHATKGP-KGLIPLIRSA-N 2 0 328.457 -0.378 20 0 EBADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)CCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001409979753 1127291873 /nfs/dbraw/zinc/29/18/73/1127291873.db2.gz RXKFAUYYZUVMCK-GJZGRUSLSA-N 2 0 340.468 -0.282 20 0 EBADRP C[NH+](C)CCC(=O)N1CC(CCO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001487040387 1127383891 /nfs/dbraw/zinc/38/38/91/1127383891.db2.gz DZIKDHCYSYKIHS-AWEZNQCLSA-N 2 0 340.468 -0.641 20 0 EBADRP C[C@H](c1nnnn1C)N1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001410109317 1127572696 /nfs/dbraw/zinc/57/26/96/1127572696.db2.gz AAOVYXDJWWSLFR-SYQHCUMBSA-N 2 0 335.456 -0.093 20 0 EBADRP CC(C)[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](CCN3CCNC3=O)C[C@H]21 ZINC001410153165 1127614006 /nfs/dbraw/zinc/61/40/06/1127614006.db2.gz IKYSSXRKRVYTMH-QKDCVEJESA-N 2 0 337.468 -0.354 20 0 EBADRP C[C@H]([NH2+]CC(=O)N(C)C)[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001410166389 1127623815 /nfs/dbraw/zinc/62/38/15/1127623815.db2.gz ZAZARKIXONQGLC-UONOGXRCSA-N 2 0 340.468 -0.236 20 0 EBADRP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001410224605 1127647587 /nfs/dbraw/zinc/64/75/87/1127647587.db2.gz QEAJCZPDFHVKLP-IJLUTSLNSA-N 2 0 327.429 -0.733 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]C[C@H](O)Cn3cccn3)C2)C1 ZINC001410225961 1127648769 /nfs/dbraw/zinc/64/87/69/1127648769.db2.gz VKTDVVDKIKGMIY-FPCVCCKLSA-N 2 0 335.452 -0.320 20 0 EBADRP CNC(=O)C[N@H+](C)C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001410256647 1127660667 /nfs/dbraw/zinc/66/06/67/1127660667.db2.gz HYULLOQSEYHJRE-AWEZNQCLSA-N 2 0 340.468 -0.377 20 0 EBADRP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)Nc1cnccn1 ZINC001410336852 1127682504 /nfs/dbraw/zinc/68/25/04/1127682504.db2.gz DJZNLXYPGKHCPR-OLZOCXBDSA-N 2 0 334.424 -0.054 20 0 EBADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001410432634 1127712997 /nfs/dbraw/zinc/71/29/97/1127712997.db2.gz IIRSSHALRILRFP-CHWSQXEVSA-N 2 0 343.472 -0.003 20 0 EBADRP C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]C[C@H](O)Cn1cccn1 ZINC001410477836 1127725223 /nfs/dbraw/zinc/72/52/23/1127725223.db2.gz BSFQVOXBQSPGIV-CABCVRRESA-N 2 0 335.452 -0.224 20 0 EBADRP C[C@H]([NH2+][C@H](CO)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(N)=O ZINC001410659772 1127795141 /nfs/dbraw/zinc/79/51/41/1127795141.db2.gz AYXSRZXIORNWCB-RYUDHWBXSA-N 2 0 328.457 -0.420 20 0 EBADRP C[NH+](C)CC1(C(=O)NC[C@H](CO)[NH2+][C@H]2CCNC2=O)CCCCC1 ZINC001410703427 1127827865 /nfs/dbraw/zinc/82/78/65/1127827865.db2.gz UPKGWWSOOVVIMZ-KGLIPLIRSA-N 2 0 340.468 -0.546 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H](CO)[NH2+]CCn2cc(Cl)cn2)C1 ZINC001410746961 1127858991 /nfs/dbraw/zinc/85/89/91/1127858991.db2.gz DIHPWRJISGXTDA-TZMCWYRMSA-N 2 0 343.859 -0.055 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)NC(C)(C)C)C1 ZINC001410748019 1127859457 /nfs/dbraw/zinc/85/94/57/1127859457.db2.gz DZOYQBSSXILIQJ-OLZOCXBDSA-N 2 0 328.457 -0.690 20 0 EBADRP CN1CCO[C@H](C(=O)NC2(CNC(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001410772497 1127877498 /nfs/dbraw/zinc/87/74/98/1127877498.db2.gz XQFKQNCKQFQLEH-AWEZNQCLSA-N 2 0 338.452 -0.576 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001410873458 1127925355 /nfs/dbraw/zinc/92/53/55/1127925355.db2.gz VKJZSZILFHXVLD-CHWSQXEVSA-N 2 0 339.440 -0.493 20 0 EBADRP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001410950375 1127951350 /nfs/dbraw/zinc/95/13/50/1127951350.db2.gz YVAFFCAWNUPZCC-NWDGAFQWSA-N 2 0 327.429 -0.602 20 0 EBADRP CN(C[C@@H](O)C[NH2+]CC(=O)NCC(C)(C)C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001410997570 1127966737 /nfs/dbraw/zinc/96/67/37/1127966737.db2.gz GNOZNBPJJYECGV-KBPBESRZSA-N 2 0 342.484 -0.348 20 0 EBADRP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C(C)(C)C1 ZINC001411091242 1128012551 /nfs/dbraw/zinc/01/25/51/1128012551.db2.gz HGANGFLYWPXSKS-GFCCVEGCSA-N 2 0 338.456 -0.223 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001411098253 1128015293 /nfs/dbraw/zinc/01/52/93/1128015293.db2.gz NXLIHDAIXGUILC-KBPBESRZSA-N 2 0 328.457 -0.738 20 0 EBADRP CN(C[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001411101886 1128016528 /nfs/dbraw/zinc/01/65/28/1128016528.db2.gz SFNIZIJVSWWYDB-QWHCGFSZSA-N 2 0 326.441 -0.842 20 0 EBADRP CN(C[C@H](O)C[NH2+][C@@H]1CCCNC1=O)C(=O)C[N@H+](C)CC(C)(C)C ZINC001411105791 1128017687 /nfs/dbraw/zinc/01/76/87/1128017687.db2.gz UWDMFTSGFFVZGK-ZIAGYGMSSA-N 2 0 342.484 -0.348 20 0 EBADRP CN(C[C@@H](O)C[NH2+]Cc1cnnn1C)C(=O)CC[NH+]1CCCCC1 ZINC001411128667 1128023124 /nfs/dbraw/zinc/02/31/24/1128023124.db2.gz PZXPKSHTWVHGAI-HNNXBMFYSA-N 2 0 338.456 -0.400 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnnn1C ZINC001411129559 1128029008 /nfs/dbraw/zinc/02/90/08/1128029008.db2.gz RBNQVKWWZGBKEO-LSDHHAIUSA-N 2 0 338.456 -0.402 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001411147303 1128040714 /nfs/dbraw/zinc/04/07/14/1128040714.db2.gz PBNPXRYPUPHPRU-KBPBESRZSA-N 2 0 328.457 -0.738 20 0 EBADRP CN(C[C@H](O)C[N@H+](C)C[C@H]1CCc2ncnn21)C(=O)CC[NH+](C)C ZINC001411192557 1128089316 /nfs/dbraw/zinc/08/93/16/1128089316.db2.gz VWBQDOZJHJYRDY-ZIAGYGMSSA-N 2 0 338.456 -0.532 20 0 EBADRP C[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC(=O)NC(N)=O)C(C)(C)C)CC1 ZINC001411224412 1128096736 /nfs/dbraw/zinc/09/67/36/1128096736.db2.gz ONVVAPLCMJKLRQ-GFCCVEGCSA-N 2 0 341.456 -0.356 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CCN4CCNC4=O)C[C@@]3(C)C2)C1 ZINC001092272910 1128220018 /nfs/dbraw/zinc/22/00/18/1128220018.db2.gz IUMMICPXVHGXLI-DAYGRLMNSA-N 2 0 349.479 -0.256 20 0 EBADRP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133747 1128296382 /nfs/dbraw/zinc/29/63/82/1128296382.db2.gz MPPBECUGMWTAJX-KFWWJZLASA-N 2 0 334.464 -0.003 20 0 EBADRP C[C@H](NC(=O)c1cnn2cc(CC[NH3+])cnc12)[C@@H]1C[N@H+](C)CCN1C ZINC001649157101 1128343974 /nfs/dbraw/zinc/34/39/74/1128343974.db2.gz LJHXWQVKQXOSSS-WFASDCNBSA-N 2 0 345.451 -0.405 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NC(N)=O ZINC001176753277 1128349676 /nfs/dbraw/zinc/34/96/76/1128349676.db2.gz DXBMVPXPFUJYLX-LBPRGKRZSA-N 2 0 329.445 -0.214 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187841411 1128355768 /nfs/dbraw/zinc/35/57/68/1128355768.db2.gz ANUAGVOLMAHHQB-VXGBXAGGSA-N 2 0 325.413 -0.883 20 0 EBADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)C[NH+]1CCCC1 ZINC001488017765 1128514592 /nfs/dbraw/zinc/51/45/92/1128514592.db2.gz WCQPCOBEARRTCL-LSDHHAIUSA-N 2 0 340.468 -0.450 20 0 EBADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)NC(=O)C[NH+]1CCCC1 ZINC001487994524 1128530699 /nfs/dbraw/zinc/53/06/99/1128530699.db2.gz FCCNUABWXYVBHQ-GJZGRUSLSA-N 2 0 340.468 -0.452 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001488368337 1128705604 /nfs/dbraw/zinc/70/56/04/1128705604.db2.gz ALWPNRKSAVVHSG-KGLIPLIRSA-N 2 0 328.457 -0.786 20 0 EBADRP C[C@H]([NH2+][C@@H]1C[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1)C(=O)NC(N)=O ZINC001488774620 1128841682 /nfs/dbraw/zinc/84/16/82/1128841682.db2.gz XAOVLQDTDXECEL-ZDEQEGDKSA-N 2 0 339.440 -0.604 20 0 EBADRP NC(=O)NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001488967513 1128892211 /nfs/dbraw/zinc/89/22/11/1128892211.db2.gz CMEZNCWTLWZJHE-NWDGAFQWSA-N 2 0 325.413 -0.848 20 0 EBADRP O=C(NCc1nc(C[NH2+]CCO)cc(=O)[nH]1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001489076155 1128905852 /nfs/dbraw/zinc/90/58/52/1128905852.db2.gz HHUZWONLVIGBOQ-KGLIPLIRSA-N 2 0 349.435 -0.103 20 0 EBADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H]([NH+](CCO)CCCO)C2)C1 ZINC001489173077 1128917269 /nfs/dbraw/zinc/91/72/69/1128917269.db2.gz ISAHDHWPEFVKAN-HOTGVXAUSA-N 2 0 327.469 -0.004 20 0 EBADRP C[C@@H](C(N)=O)[N@H+](C)CCOCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001489216443 1128934170 /nfs/dbraw/zinc/93/41/70/1128934170.db2.gz RTLKNIHLKHAHET-KKUMJFAQSA-N 2 0 342.484 -0.003 20 0 EBADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCN1C(=O)COCC[NH+](C)C ZINC001490094137 1129111702 /nfs/dbraw/zinc/11/17/02/1129111702.db2.gz GFICQTWAMUVQAJ-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@H]([NH2+]CC(=O)NC(N)=O)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001490305364 1129160200 /nfs/dbraw/zinc/16/02/00/1129160200.db2.gz GFUCACAHAOUBLK-NWDGAFQWSA-N 2 0 327.429 -0.508 20 0 EBADRP CC[N@H+](C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001414050493 1131356201 /nfs/dbraw/zinc/35/62/01/1131356201.db2.gz SRZTTXYUJICTFY-MJBXVCDLSA-N 2 0 340.468 -0.644 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1C[NH+](C)C ZINC000870022008 1129265145 /nfs/dbraw/zinc/26/51/45/1129265145.db2.gz MPTVABLOVBBEAH-HZPDHXFCSA-N 2 0 326.485 -0.094 20 0 EBADRP C[NH+](C)C[C@@H]1CN(C(=O)c2nc3n(n2)CCCN3)C[C@H]1C[NH+](C)C ZINC001412446586 1129530387 /nfs/dbraw/zinc/53/03/87/1129530387.db2.gz LBLAMIJLHMNXLO-CHWSQXEVSA-N 2 0 335.456 -0.837 20 0 EBADRP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]CCCN3C(=O)CNC3=O)C2)C1 ZINC001490857570 1129686997 /nfs/dbraw/zinc/68/69/97/1129686997.db2.gz PEEKBANHFSNGRA-STQMWFEESA-N 2 0 337.424 -0.930 20 0 EBADRP C[NH+]1CCN(C2CC[NH+](C[C@@H](O)C3(O)CCOCC3)CC2)CC1 ZINC001413050802 1129893122 /nfs/dbraw/zinc/89/31/22/1129893122.db2.gz UYPWQJCETJUQNE-MRXNPFEDSA-N 2 0 327.469 -0.399 20 0 EBADRP CC[C@H](C(=O)NC[C@H](O)CN(C)C(=O)C[NH+]1CCCC1)[NH+](C)C ZINC001413268771 1129980722 /nfs/dbraw/zinc/98/07/22/1129980722.db2.gz PYRLCKLUNYIBFF-UONOGXRCSA-N 2 0 328.457 -0.642 20 0 EBADRP CC[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)C1([NH+](C)C)CCC1)[NH+](C)C ZINC001413301362 1129999302 /nfs/dbraw/zinc/99/93/02/1129999302.db2.gz JJSFXLAAQHYLGH-KGLIPLIRSA-N 2 0 342.484 -0.254 20 0 EBADRP C[NH+](C)CCCC(=O)NC1CN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001416040422 1130241005 /nfs/dbraw/zinc/24/10/05/1130241005.db2.gz RNRQIRFMSMPILX-UHFFFAOYSA-N 2 0 340.468 -0.234 20 0 EBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC001413734302 1130247798 /nfs/dbraw/zinc/24/77/98/1130247798.db2.gz ZGEZAMHACBNFOI-LSDHHAIUSA-N 2 0 327.473 -0.622 20 0 EBADRP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)C1)[NH+](C)C ZINC001490949036 1130272225 /nfs/dbraw/zinc/27/22/25/1130272225.db2.gz BSEIYJYNNJUKRT-JHJVBQTASA-N 2 0 334.486 -0.641 20 0 EBADRP CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001491066666 1130310537 /nfs/dbraw/zinc/31/05/37/1130310537.db2.gz CFJJQQTZIKMPBB-BETUJISGSA-N 2 0 326.441 -0.530 20 0 EBADRP O=C(N[C@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC001491074399 1130312134 /nfs/dbraw/zinc/31/21/34/1130312134.db2.gz COARIPMWQPODHF-DFGXFYAUSA-N 2 0 347.463 -0.033 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001491079702 1130314852 /nfs/dbraw/zinc/31/48/52/1130314852.db2.gz DSVPHCVVNHXEKG-TUAOUCFPSA-N 2 0 325.413 -0.708 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@@H](C[NH2+]CC(N)=O)C1 ZINC001491183902 1130351733 /nfs/dbraw/zinc/35/17/33/1130351733.db2.gz HPZWZDCBKDOEFU-KGLIPLIRSA-N 2 0 326.441 -0.732 20 0 EBADRP CC1CC[NH+](CC(=O)NCCNC(=O)CCN2CCOCC2)CC1 ZINC001491459635 1130453250 /nfs/dbraw/zinc/45/32/50/1130453250.db2.gz NGAQKZBIZDUXCH-UHFFFAOYSA-N 2 0 340.468 -0.327 20 0 EBADRP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H](C)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001413792173 1130492264 /nfs/dbraw/zinc/49/22/64/1130492264.db2.gz QKEBXWJYWDOSHO-KFWWJZLASA-N 2 0 340.468 -0.236 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H](CC[NH2+]CC(N)=O)C1 ZINC001280295983 1130557693 /nfs/dbraw/zinc/55/76/93/1130557693.db2.gz LNZPJXFECFYDGK-KBPBESRZSA-N 2 0 326.441 -0.732 20 0 EBADRP C[C@H](CCNC(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001492092323 1130585276 /nfs/dbraw/zinc/58/52/76/1130585276.db2.gz NONWWACVEWCISS-GFCCVEGCSA-N 2 0 338.456 -0.175 20 0 EBADRP CCOCCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001480196853 1130764816 /nfs/dbraw/zinc/76/48/16/1130764816.db2.gz MZNDCPAAWUALME-HZSPNIEDSA-N 2 0 326.441 -0.530 20 0 EBADRP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001480523994 1130825083 /nfs/dbraw/zinc/82/50/83/1130825083.db2.gz IXYPQNSBMQTJAS-NEPJUHHUSA-N 2 0 341.456 -0.343 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001480523997 1130825505 /nfs/dbraw/zinc/82/55/05/1130825505.db2.gz IXYPQNSBMQTJAS-VXGBXAGGSA-N 2 0 341.456 -0.343 20 0 EBADRP CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1 ZINC001200695581 1130845310 /nfs/dbraw/zinc/84/53/10/1130845310.db2.gz AONMHWOAXJGZKE-AWEZNQCLSA-N 2 0 326.441 -0.576 20 0 EBADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@H]1O ZINC001413970291 1130875297 /nfs/dbraw/zinc/87/52/97/1130875297.db2.gz KZFCXWOCSKERJB-QLFBSQMISA-N 2 0 340.468 -0.501 20 0 EBADRP CCC[N@H+](C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001413970800 1130876970 /nfs/dbraw/zinc/87/69/70/1130876970.db2.gz FZBYLCFHXZGTRP-RBSFLKMASA-N 2 0 340.468 -0.642 20 0 EBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001356609570 1130883730 /nfs/dbraw/zinc/88/37/30/1130883730.db2.gz QSEDBNILONIKOI-MGPQQGTHSA-N 2 0 325.457 -0.034 20 0 EBADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCC(=O)NCc2ccccn2)CC1 ZINC001357127363 1131053714 /nfs/dbraw/zinc/05/37/14/1131053714.db2.gz UKFZHTKGVUVKOK-INIZCTEOSA-N 2 0 335.452 -0.714 20 0 EBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001357897678 1131143458 /nfs/dbraw/zinc/14/34/58/1131143458.db2.gz AASUFYZBYHWKPZ-HNNXBMFYSA-N 2 0 340.468 -0.606 20 0 EBADRP C[NH+](C)CCC(=O)N[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1O ZINC001413975176 1131160208 /nfs/dbraw/zinc/16/02/08/1131160208.db2.gz COXNGVXENGNCOH-ZIAGYGMSSA-N 2 0 342.484 -0.396 20 0 EBADRP CC[NH+]1CCN(CCC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001362481825 1131592536 /nfs/dbraw/zinc/59/25/36/1131592536.db2.gz ODZOTGANPFTGKX-MRXNPFEDSA-N 2 0 326.485 -0.023 20 0 EBADRP C[C@@H](O)C[NH+]1CCN(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001365960053 1132920192 /nfs/dbraw/zinc/92/01/92/1132920192.db2.gz BQXBQRMGIFMTJW-OAHLLOKOSA-N 2 0 326.485 -0.167 20 0 EBADRP CC[C@@H](C(=O)N[C@H]1CCN(CC(=O)NC2CCOCC2)C1)[NH+](C)C ZINC001365997368 1132956728 /nfs/dbraw/zinc/95/67/28/1132956728.db2.gz NUZHEVQNNXNIEX-GJZGRUSLSA-N 2 0 340.468 -0.188 20 0 EBADRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CCOCC2)C1 ZINC001366096261 1133001546 /nfs/dbraw/zinc/00/15/46/1133001546.db2.gz BFKMNXRIZVJQIH-HNNXBMFYSA-N 2 0 340.468 -0.186 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001366097103 1133002911 /nfs/dbraw/zinc/00/29/11/1133002911.db2.gz CXOWWGKHRRRBGQ-NEPJUHHUSA-N 2 0 327.429 -0.637 20 0 EBADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001366101793 1133005509 /nfs/dbraw/zinc/00/55/09/1133005509.db2.gz GAXNFCUOECWRDG-OLZOCXBDSA-N 2 0 339.440 -0.493 20 0 EBADRP C[C@H](C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1)CS(C)(=O)=O ZINC001366103379 1133007795 /nfs/dbraw/zinc/00/77/95/1133007795.db2.gz PKKOXHIITYMAPI-KGLIPLIRSA-N 2 0 331.482 -0.047 20 0 EBADRP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCOCC3)C2)CCC1 ZINC001366116192 1133013430 /nfs/dbraw/zinc/01/34/30/1133013430.db2.gz WEUBOMCXGDLIQV-HDJSIYSDSA-N 2 0 338.452 -0.434 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001366131991 1133020169 /nfs/dbraw/zinc/02/01/69/1133020169.db2.gz WGBZKWXONMKYJD-IJLUTSLNSA-N 2 0 325.413 -0.837 20 0 EBADRP CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001366132579 1133021151 /nfs/dbraw/zinc/02/11/51/1133021151.db2.gz ZMAVHMGCUKBODQ-IHRRRGAJSA-N 2 0 326.441 -0.672 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001366155039 1133029563 /nfs/dbraw/zinc/02/95/63/1133029563.db2.gz DEJQVOIMPNBWRP-XQQFMLRXSA-N 2 0 339.440 -0.447 20 0 EBADRP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1)C(N)=O ZINC001366164524 1133034433 /nfs/dbraw/zinc/03/44/33/1133034433.db2.gz WTHNYPHLOGHCLN-UPJWGTAASA-N 2 0 326.441 -0.545 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001366218626 1133060411 /nfs/dbraw/zinc/06/04/11/1133060411.db2.gz NDCVIMLBLLQWCL-NWDGAFQWSA-N 2 0 325.413 -0.754 20 0 EBADRP CC[C@H]([NH2+][C@@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1)C(N)=O ZINC001366288558 1133085985 /nfs/dbraw/zinc/08/59/85/1133085985.db2.gz CHAKNALQLXEWAR-STQMWFEESA-N 2 0 328.457 -0.297 20 0 EBADRP CC[C@@H]([NH2+][C@@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1)C(N)=O ZINC001366288555 1133086065 /nfs/dbraw/zinc/08/60/65/1133086065.db2.gz CHAKNALQLXEWAR-QWHCGFSZSA-N 2 0 328.457 -0.297 20 0 EBADRP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CCN1CCNC1=O ZINC001366300071 1133089996 /nfs/dbraw/zinc/08/99/96/1133089996.db2.gz ZURMJWPZLWAPHM-ZIAGYGMSSA-N 2 0 325.457 -0.020 20 0 EBADRP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CCN1CCNC1=O ZINC001366300057 1133090150 /nfs/dbraw/zinc/09/01/50/1133090150.db2.gz ZURMJWPZLWAPHM-KGLIPLIRSA-N 2 0 325.457 -0.020 20 0 EBADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NCc1cccnc1 ZINC001366314550 1133096484 /nfs/dbraw/zinc/09/64/84/1133096484.db2.gz ZDCCFIAVCTZCHK-DZGCQCFKSA-N 2 0 333.436 -0.114 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)[NH2+]CC(=O)N1CCCC1 ZINC001366356548 1133109348 /nfs/dbraw/zinc/10/93/48/1133109348.db2.gz IOYXQUGFJYXRPK-CABCVRRESA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)Nc1nncs1 ZINC001366359632 1133111159 /nfs/dbraw/zinc/11/11/59/1133111159.db2.gz RWMADZOCBFJAIR-ZJUUUORDSA-N 2 0 326.426 -0.477 20 0 EBADRP CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001366408809 1133134704 /nfs/dbraw/zinc/13/47/04/1133134704.db2.gz KOHJCMUYZQGIKL-GJZGRUSLSA-N 2 0 340.468 -0.471 20 0 EBADRP C[C@@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCN1CCNC1=O ZINC001366460208 1133148957 /nfs/dbraw/zinc/14/89/57/1133148957.db2.gz AXTZECJXSSHPFC-DZGCQCFKSA-N 2 0 337.468 -0.162 20 0 EBADRP C[C@H](CCNC(=O)C12CC[NH+](CC1)C2)[NH2+]C[C@H](O)Cn1cccn1 ZINC001366501355 1133159468 /nfs/dbraw/zinc/15/94/68/1133159468.db2.gz WADCXGXVUBGBPR-CABCVRRESA-N 2 0 335.452 -0.176 20 0 EBADRP CC[C@H](C(=O)NCC[N@H+](C)C[C@@H]1CCN(S(C)(=O)=O)C1)[NH+](C)C ZINC001366583499 1133197321 /nfs/dbraw/zinc/19/73/21/1133197321.db2.gz LZGCLJQYEFSCQK-UONOGXRCSA-N 2 0 348.513 -0.344 20 0 EBADRP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001366691907 1133252065 /nfs/dbraw/zinc/25/20/65/1133252065.db2.gz XZCQSXCSUIPAID-ZDUSSCGKSA-N 2 0 341.456 -0.388 20 0 EBADRP C[C@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)C(=O)NC(=O)NC(C)(C)C ZINC001366775308 1133293241 /nfs/dbraw/zinc/29/32/41/1133293241.db2.gz MAJSYQZALRSORU-LBPRGKRZSA-N 2 0 343.472 -0.001 20 0 EBADRP CN(CCN1CCN(CCn2cncn2)CC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001366852691 1133320599 /nfs/dbraw/zinc/32/05/99/1133320599.db2.gz QVFWBWZWIIXRFO-INIZCTEOSA-N 2 0 349.483 -0.552 20 0 EBADRP CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001367055442 1133457030 /nfs/dbraw/zinc/45/70/30/1133457030.db2.gz GOTWJLIECKFMBT-CQSZACIVSA-N 2 0 348.513 -0.248 20 0 EBADRP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001367073684 1133467634 /nfs/dbraw/zinc/46/76/34/1133467634.db2.gz MGORXGJAHJMTJH-CQSZACIVSA-N 2 0 325.457 -0.114 20 0 EBADRP CC[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC(=O)N1CCOCC1 ZINC001367094436 1133473795 /nfs/dbraw/zinc/47/37/95/1133473795.db2.gz CUHXPQIDUYGYIK-AWEZNQCLSA-N 2 0 340.468 -0.186 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@](C)(C[NH2+]CC(=O)NC(N)=O)C2CC2)C1 ZINC001367196481 1133499466 /nfs/dbraw/zinc/49/94/66/1133499466.db2.gz LLZGKXGUDKIHIM-BDJLRTHQSA-N 2 0 339.440 -0.602 20 0 EBADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@](C)(C[NH2+]CC(=O)NC(N)=O)C2CC2)C1 ZINC001367196487 1133499763 /nfs/dbraw/zinc/49/97/63/1133499763.db2.gz LLZGKXGUDKIHIM-BZNIZROVSA-N 2 0 339.440 -0.602 20 0 EBADRP C[C@@](C[NH2+]CC(=O)NC(N)=O)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001367234944 1133511387 /nfs/dbraw/zinc/51/13/87/1133511387.db2.gz OXSRZZVCHKCSJA-HNNXBMFYSA-N 2 0 325.413 -0.848 20 0 EBADRP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)C[NH2+]CC(=O)NC(N)=O ZINC001367265466 1133520700 /nfs/dbraw/zinc/52/07/00/1133520700.db2.gz YGALCAXQIDDVES-LBPRGKRZSA-N 2 0 339.440 -0.601 20 0 EBADRP C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)C[NH2+]Cc1nnnn1C ZINC001367292387 1133527914 /nfs/dbraw/zinc/52/79/14/1133527914.db2.gz NTYBZWLCZJEVRY-GFCCVEGCSA-N 2 0 339.444 -0.837 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001367358847 1133562005 /nfs/dbraw/zinc/56/20/05/1133562005.db2.gz QBMAWUUPYANXMY-OCCSQVGLSA-N 2 0 343.472 -0.145 20 0 EBADRP C[C@H](C[NH2+]CC(=O)N1CCO[C@@H](C)C1)N(C)C(=O)C[NH+]1CCCC1 ZINC001367405237 1133580150 /nfs/dbraw/zinc/58/01/50/1133580150.db2.gz NTILYTGEMCCTLI-CABCVRRESA-N 2 0 340.468 -0.234 20 0 EBADRP C[C@@H](C[NH2+]CC(=O)N1CCO[C@@H](C)C1)N(C)C(=O)C[NH+]1CCCC1 ZINC001367405238 1133580859 /nfs/dbraw/zinc/58/08/59/1133580859.db2.gz NTILYTGEMCCTLI-GJZGRUSLSA-N 2 0 340.468 -0.234 20 0 EBADRP CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001367418120 1133585236 /nfs/dbraw/zinc/58/52/36/1133585236.db2.gz LHNOSIZXSFRAFR-QJPTWQEYSA-N 2 0 327.429 -0.781 20 0 EBADRP CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)C2([NH+](C)C)CCC2)C1=O ZINC001367589956 1133660980 /nfs/dbraw/zinc/66/09/80/1133660980.db2.gz CBVPFHHZNCJIGS-CHWSQXEVSA-N 2 0 326.441 -0.842 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001367593725 1133666710 /nfs/dbraw/zinc/66/67/10/1133666710.db2.gz LMQORQGHTGNVOK-QWHCGFSZSA-N 2 0 326.441 -0.936 20 0 EBADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001367607353 1133687172 /nfs/dbraw/zinc/68/71/72/1133687172.db2.gz METOINYVCIZQBG-CVEARBPZSA-N 2 0 348.447 -0.164 20 0 EBADRP CO[C@@H](C)C[NH2+]C[C@H](O)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001367607546 1133687241 /nfs/dbraw/zinc/68/72/41/1133687241.db2.gz ZJXFPJWYPJQKOX-JSGCOSHPSA-N 2 0 333.392 -0.018 20 0 EBADRP O=C(C[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2)N1CCCCC1 ZINC001367621459 1133705756 /nfs/dbraw/zinc/70/57/56/1133705756.db2.gz KPGDCBYNHHJDAP-CQSZACIVSA-N 2 0 338.452 -0.839 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001367622044 1133706701 /nfs/dbraw/zinc/70/67/01/1133706701.db2.gz TYDVZCLZPSHZMZ-BLLLJJGKSA-N 2 0 346.447 -0.598 20 0 EBADRP CC(C)(C)CNC(=O)C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001367624627 1133711340 /nfs/dbraw/zinc/71/13/40/1133711340.db2.gz MZPZLRXNBBKLMG-ZDUSSCGKSA-N 2 0 328.457 -0.689 20 0 EBADRP C[C@H](CC[NH2+][C@H](C)C(=O)NC(N)=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001367651283 1133730254 /nfs/dbraw/zinc/73/02/54/1133730254.db2.gz SZDPNSHAEPSZMQ-VXGBXAGGSA-N 2 0 341.456 -0.071 20 0 EBADRP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NC(=O)NC1CC1)[NH+](C)C ZINC001367709296 1133755390 /nfs/dbraw/zinc/75/53/90/1133755390.db2.gz SVYONIIKDXCCCY-BXUZGUMPSA-N 2 0 341.456 -0.345 20 0 EBADRP CCNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001367730931 1133762699 /nfs/dbraw/zinc/76/26/99/1133762699.db2.gz GUXNXWNTGGSKGA-QWHCGFSZSA-N 2 0 341.456 -0.201 20 0 EBADRP C[C@@H]([NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001367735700 1133764670 /nfs/dbraw/zinc/76/46/70/1133764670.db2.gz UKMSTGJIPLRCJL-NWDGAFQWSA-N 2 0 341.456 -0.071 20 0 EBADRP C[C@@H](C[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001367749005 1133770210 /nfs/dbraw/zinc/77/02/10/1133770210.db2.gz IJQKQUBNRUJTJE-GMXVVIOVSA-N 2 0 339.440 -0.448 20 0 EBADRP C[C@@H](C[N@H+](C)C[C@H](O)CN1CCCC1=O)NC(=O)[C@H]1CCC[NH+]1C ZINC001367838750 1133807217 /nfs/dbraw/zinc/80/72/17/1133807217.db2.gz KTTAQLKFDVMKGZ-SOUVJXGZSA-N 2 0 340.468 -0.500 20 0 EBADRP C[C@H]1CN(C(=O)C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C2CC2)CCO1 ZINC001367913520 1133838262 /nfs/dbraw/zinc/83/82/62/1133838262.db2.gz RECGZADMMLPSOD-ZFWWWQNUSA-N 2 0 340.468 -0.330 20 0 EBADRP O=C(C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1)Nc1cnccn1 ZINC001368033652 1133905738 /nfs/dbraw/zinc/90/57/38/1133905738.db2.gz LMBBTFZCLTZNSR-UHFFFAOYSA-N 2 0 332.408 -0.251 20 0 EBADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001368105276 1133939909 /nfs/dbraw/zinc/93/99/09/1133939909.db2.gz UNQKVMUANBHZGE-CHWSQXEVSA-N 2 0 339.440 -0.365 20 0 EBADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001368109582 1133942437 /nfs/dbraw/zinc/94/24/37/1133942437.db2.gz NSJOFZCLWRDEFC-CHWSQXEVSA-N 2 0 341.456 -0.247 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCNC(=O)C2CC2)C1 ZINC001368251506 1134030265 /nfs/dbraw/zinc/03/02/65/1134030265.db2.gz ZLJAWCYIAOHUCN-YOEHRIQHSA-N 2 0 338.452 -0.840 20 0 EBADRP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](CCNC(=O)C2CC2)C1 ZINC001368251496 1134030546 /nfs/dbraw/zinc/03/05/46/1134030546.db2.gz ZLJAWCYIAOHUCN-PBHICJAKSA-N 2 0 338.452 -0.840 20 0 EBADRP COC[C@@H](O)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCOCC1 ZINC001368281296 1134096510 /nfs/dbraw/zinc/09/65/10/1134096510.db2.gz HPRNEDUGBKSIRD-CABCVRRESA-N 2 0 343.468 -0.410 20 0 EBADRP Cn1cc(CC[N@@H+]2CCC[C@](CO)(NC(=O)[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001368392440 1134195258 /nfs/dbraw/zinc/19/52/58/1134195258.db2.gz QHJCYUNXCREZDZ-AEFFLSMTSA-N 2 0 349.479 -0.143 20 0 EBADRP CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001368397389 1134201556 /nfs/dbraw/zinc/20/15/56/1134201556.db2.gz MURXMQGCVQJFQI-AWEZNQCLSA-N 2 0 342.484 -0.348 20 0 EBADRP C[C@@H]1CN(C(=O)C[NH2+]C2(CNC(=O)CC[NH+](C)C)CCC2)CCO1 ZINC001368481972 1134248775 /nfs/dbraw/zinc/24/87/75/1134248775.db2.gz AUEMODKZVICOJN-CQSZACIVSA-N 2 0 340.468 -0.186 20 0 EBADRP CCN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001368510064 1134262960 /nfs/dbraw/zinc/26/29/60/1134262960.db2.gz IKRPLZMMFVGZAO-AWEZNQCLSA-N 2 0 326.441 -0.623 20 0 EBADRP CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1 ZINC001368518260 1134269919 /nfs/dbraw/zinc/26/99/19/1134269919.db2.gz SJIFZEORNAUYCG-OAHLLOKOSA-N 2 0 340.468 -0.185 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)C(=O)NC(N)=O ZINC001368535581 1134280635 /nfs/dbraw/zinc/28/06/35/1134280635.db2.gz HORRJOAKSBMSTG-NNYUYHANSA-N 2 0 325.413 -0.994 20 0 EBADRP C[C@@H]([NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCO1)C(N)=O ZINC001368578328 1134301236 /nfs/dbraw/zinc/30/12/36/1134301236.db2.gz JMLIIFMGYVFAEV-KGLIPLIRSA-N 2 0 340.468 -0.058 20 0 EBADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCO1)C(N)=O ZINC001368578335 1134301273 /nfs/dbraw/zinc/30/12/73/1134301273.db2.gz JMLIIFMGYVFAEV-UONOGXRCSA-N 2 0 340.468 -0.058 20 0 EBADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001368603263 1134318137 /nfs/dbraw/zinc/31/81/37/1134318137.db2.gz BWNVKDOSRNTPOJ-ZQDZILKHSA-N 2 0 338.452 -0.672 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CC(=O)N2CCC2)CCOCC1 ZINC001368630779 1134343318 /nfs/dbraw/zinc/34/33/18/1134343318.db2.gz XWUYSBAFZSBKLC-AWEZNQCLSA-N 2 0 338.452 -0.432 20 0 EBADRP CNC(=O)C[NH2+]CC1(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCOCC1 ZINC001368632655 1134346053 /nfs/dbraw/zinc/34/60/53/1134346053.db2.gz GHMVHSAIEFRLOS-ZIAGYGMSSA-N 2 0 340.468 -0.140 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC2(C[NH2+][C@H]3CCCNC3=O)CCOCC2)C1 ZINC001368637488 1134348895 /nfs/dbraw/zinc/34/88/95/1134348895.db2.gz NBPCVIZKNYSSOS-KGLIPLIRSA-N 2 0 338.452 -0.528 20 0 EBADRP CNC(=O)C[NH2+][C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1C ZINC001368655966 1134358573 /nfs/dbraw/zinc/35/85/73/1134358573.db2.gz WNDHWOBMQUTAMF-KBPBESRZSA-N 2 0 340.468 -0.473 20 0 EBADRP CC[C@@H]([NH2+]CC1(O)CCN(C(=O)CC[N@H+](C)CC)CC1)C(N)=O ZINC001368682981 1134380291 /nfs/dbraw/zinc/38/02/91/1134380291.db2.gz PLSGIXNDSKNEAM-CYBMUJFWSA-N 2 0 328.457 -0.465 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(O)(C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001368689316 1134389240 /nfs/dbraw/zinc/38/92/40/1134389240.db2.gz QWADEDMUVIWHIA-UONOGXRCSA-N 2 0 340.468 -0.322 20 0 EBADRP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001368700191 1134397794 /nfs/dbraw/zinc/39/77/94/1134397794.db2.gz DSJHVLQFRFQNJV-KBPBESRZSA-N 2 0 340.468 -0.188 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001368840025 1134462058 /nfs/dbraw/zinc/46/20/58/1134462058.db2.gz KQKROYRKXHWJQK-WDEREUQCSA-N 2 0 327.429 -0.591 20 0 EBADRP Cc1c(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)NC(N)=O)ccc2c[nH+]cn21 ZINC001368854930 1134465594 /nfs/dbraw/zinc/46/55/94/1134465594.db2.gz CKUJMAQJLSFUOE-ZJUUUORDSA-N 2 0 346.391 -0.066 20 0 EBADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001368898107 1134478794 /nfs/dbraw/zinc/47/87/94/1134478794.db2.gz ARTFYCAILOVROH-WXRRBKDZSA-N 2 0 339.440 -0.365 20 0 EBADRP CN(CC(C)(C)C[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001368902525 1134479543 /nfs/dbraw/zinc/47/95/43/1134479543.db2.gz JVPWCOXUVVTJRZ-LBPRGKRZSA-N 2 0 338.456 -0.223 20 0 EBADRP CN(CC(C)(C)C[NH2+]CC(=O)NC(N)=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001368923571 1134486402 /nfs/dbraw/zinc/48/64/02/1134486402.db2.gz ITEOFGPIEURQAX-LLVKDONJSA-N 2 0 327.429 -0.793 20 0 EBADRP C[C@@H]([NH2+]CC(=O)N1CCC1)[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001369146831 1134592169 /nfs/dbraw/zinc/59/21/69/1134592169.db2.gz GXQHOOGHLIPFEC-HUUCEWRRSA-N 2 0 340.468 -0.234 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]CC(=O)NC(C)C)CC[N@@H+]1C ZINC001369321975 1134662787 /nfs/dbraw/zinc/66/27/87/1134662787.db2.gz GWCVBLPARIJWRU-HZSPNIEDSA-N 2 0 328.457 -0.692 20 0 EBADRP C[N@H+](CC(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCCC1)C1CCC1 ZINC001369326166 1134667586 /nfs/dbraw/zinc/66/75/86/1134667586.db2.gz SYUMJRLYBIBDIJ-ZDUSSCGKSA-N 2 0 326.441 -0.840 20 0 EBADRP Cn1cc(C[NH2+][C@H](CO)CNC(=O)C[N@H+](C)CC(C)(C)C)cn1 ZINC001369358039 1134708057 /nfs/dbraw/zinc/70/80/57/1134708057.db2.gz BDUSIAMNPNVQFM-AWEZNQCLSA-N 2 0 325.457 -0.035 20 0 EBADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCn1cncn1 ZINC001369363943 1134717915 /nfs/dbraw/zinc/71/79/15/1134717915.db2.gz OMBODCTXKDWPDG-HUUCEWRRSA-N 2 0 338.456 -0.392 20 0 EBADRP O=C(C[NH+]1CCCC1)NC[C@@H](CO)[NH2+]CC(=O)N1CCCCC1 ZINC001369382199 1134743184 /nfs/dbraw/zinc/74/31/84/1134743184.db2.gz KXYHMSAVQZNICD-AWEZNQCLSA-N 2 0 326.441 -0.839 20 0 EBADRP CN(C)c1cc(C[NH2+][C@@H](CO)CNC(=O)C[NH+]2CCCC2)ccn1 ZINC001369386473 1134748557 /nfs/dbraw/zinc/74/85/57/1134748557.db2.gz TWHBGYHPQMCZMM-OAHLLOKOSA-N 2 0 335.452 -0.190 20 0 EBADRP C[C@@H]1[C@H]([NH2+]CC(=O)Nc2cnccn2)CCN1C(=O)CC[NH+](C)C ZINC001369395558 1134755731 /nfs/dbraw/zinc/75/57/31/1134755731.db2.gz RQLWJTIRNCYZOA-CHWSQXEVSA-N 2 0 334.424 -0.054 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001369409204 1134766419 /nfs/dbraw/zinc/76/64/19/1134766419.db2.gz XEPMTAONTOHEBL-VXGBXAGGSA-N 2 0 339.440 -0.495 20 0 EBADRP C[N@H+](CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(=O)NC(N)=O)C1)C1CCC1 ZINC001369420696 1134772105 /nfs/dbraw/zinc/77/21/05/1134772105.db2.gz LCMWXHUCNPNOPH-VXGBXAGGSA-N 2 0 339.440 -0.460 20 0 EBADRP CC[C@H](C(=O)N1C[C@H]([NH2+]CC(=O)NC(N)=O)C(C)(C)C1)[NH+](C)C ZINC001369434554 1134777251 /nfs/dbraw/zinc/77/72/51/1134777251.db2.gz HOSBSFAFAPPJDA-MNOVXSKESA-N 2 0 327.429 -0.652 20 0 EBADRP C[C@H]([NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C)C(=O)NC(N)=O ZINC001369443769 1134782886 /nfs/dbraw/zinc/78/28/86/1134782886.db2.gz RGJJMPDVALRQJP-RYUDHWBXSA-N 2 0 341.456 -0.262 20 0 EBADRP CC(C)N(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001369446406 1134785217 /nfs/dbraw/zinc/78/52/17/1134785217.db2.gz BTHINLPGPSYJMR-KGLIPLIRSA-N 2 0 328.457 -0.644 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001369465797 1134810701 /nfs/dbraw/zinc/81/07/01/1134810701.db2.gz CETLJNZOASJWLI-KGLIPLIRSA-N 2 0 328.457 -0.596 20 0 EBADRP C[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001369467348 1134814787 /nfs/dbraw/zinc/81/47/87/1134814787.db2.gz CJKQKBHRSVMJAO-UONOGXRCSA-N 2 0 331.457 -0.866 20 0 EBADRP CN(C[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001369468750 1134817681 /nfs/dbraw/zinc/81/76/81/1134817681.db2.gz FUTDGVYFEIXITE-ZIAGYGMSSA-N 2 0 340.468 -0.500 20 0 EBADRP CN(C[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001369468748 1134818083 /nfs/dbraw/zinc/81/80/83/1134818083.db2.gz FUTDGVYFEIXITE-UONOGXRCSA-N 2 0 340.468 -0.500 20 0 EBADRP CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001369477693 1134839624 /nfs/dbraw/zinc/83/96/24/1134839624.db2.gz VWLUELZHMPGENV-BLLLJJGKSA-N 2 0 346.447 -0.646 20 0 EBADRP CN(C[C@H](O)C[NH2+]Cc1ccc(C(N)=O)cc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369479073 1134843363 /nfs/dbraw/zinc/84/33/63/1134843363.db2.gz DPOVYLNBUDJHPO-HZPDHXFCSA-N 2 0 348.447 -0.354 20 0 EBADRP CN(C[C@H](O)C[NH2+]CC(=O)NC(C)(C)C)C(=O)C12CC[NH+](CC1)C2 ZINC001369484669 1134852924 /nfs/dbraw/zinc/85/29/24/1134852924.db2.gz OQPZTIIAOURINZ-CYBMUJFWSA-N 2 0 340.468 -0.594 20 0 EBADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001369566455 1134943779 /nfs/dbraw/zinc/94/37/79/1134943779.db2.gz GGYQXJYLPLLZDG-WCQYABFASA-N 2 0 339.440 -0.508 20 0 EBADRP C[C@H](C(=O)NC(N)=O)N1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001369844723 1135044049 /nfs/dbraw/zinc/04/40/49/1135044049.db2.gz QVTQQGQFSIAKOO-NEPJUHHUSA-N 2 0 327.429 -0.508 20 0 EBADRP CC(C)(C(=O)NC[C@@H]([NH2+]CC(=O)NC(N)=O)C1CC1)[NH+]1CCCC1 ZINC001370214888 1135253718 /nfs/dbraw/zinc/25/37/18/1135253718.db2.gz FEFMFGSUCVZDOH-GFCCVEGCSA-N 2 0 339.440 -0.460 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001370280005 1135280809 /nfs/dbraw/zinc/28/08/09/1135280809.db2.gz LGQSVVLNQIKPLQ-GFCCVEGCSA-N 2 0 325.413 -0.978 20 0 EBADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001370280199 1135281316 /nfs/dbraw/zinc/28/13/16/1135281316.db2.gz ZBWYVXCKDHALQH-OLZOCXBDSA-N 2 0 339.440 -0.460 20 0 EBADRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001370702402 1135519101 /nfs/dbraw/zinc/51/91/01/1135519101.db2.gz HQCANVSNYKTEKU-MCIONIFRSA-N 2 0 331.482 0.000 20 0 EBADRP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1)C(=O)NC(N)=O ZINC001370714373 1135536601 /nfs/dbraw/zinc/53/66/01/1135536601.db2.gz RZUVHMHSUNSQIV-OVZMXSCWSA-N 2 0 337.424 -0.708 20 0 EBADRP CC(C)[C@@H](C(=O)N[C@@H](CO)CNC(=O)C1CC[NH+](C)CC1)[NH+](C)C ZINC001370725442 1135552588 /nfs/dbraw/zinc/55/25/88/1135552588.db2.gz OELANKSIBVVZRK-CABCVRRESA-N 2 0 342.484 -0.492 20 0 EBADRP C[C@H]1C[C@@H](C(=O)NC[C@H](CO)NC(=O)CCC[NH+](C)C)CC[N@@H+]1C ZINC001370780550 1135625942 /nfs/dbraw/zinc/62/59/42/1135625942.db2.gz RVGVNBUPCMKNIV-SOUVJXGZSA-N 2 0 342.484 -0.348 20 0 EBADRP CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC(=O)NC)C1)[NH+](C)C ZINC001370857707 1135674269 /nfs/dbraw/zinc/67/42/69/1135674269.db2.gz YLZQVVDVQJVDLS-QWHCGFSZSA-N 2 0 341.456 -0.390 20 0 EBADRP CC[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)C1([NH+](C)C)CCC1)[NH+](C)C ZINC001370998730 1135753812 /nfs/dbraw/zinc/75/38/12/1135753812.db2.gz JJSFXLAAQHYLGH-UONOGXRCSA-N 2 0 342.484 -0.254 20 0 EBADRP CC[NH+](CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001371460922 1135921620 /nfs/dbraw/zinc/92/16/20/1135921620.db2.gz DVAODWYLPBTPMB-ZIAGYGMSSA-N 2 0 338.452 -0.888 20 0 EBADRP CC[C@H](C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1O)[NH+](C)C ZINC001371463802 1135924452 /nfs/dbraw/zinc/92/44/52/1135924452.db2.gz FRIHAOWRWCDGEJ-APIJFGDWSA-N 2 0 340.468 -0.501 20 0 EBADRP CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)[NH+](CC)CC ZINC001371473626 1135930670 /nfs/dbraw/zinc/93/06/70/1135930670.db2.gz ZXEUSIWQUNBEMX-RBSFLKMASA-N 2 0 342.484 -0.254 20 0 EBADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCN(C)S(C)(=O)=O ZINC001371477132 1135932257 /nfs/dbraw/zinc/93/22/57/1135932257.db2.gz WXPDBCRXCKKEKC-UONOGXRCSA-N 2 0 348.513 -0.154 20 0 EBADRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1O ZINC001371477819 1135932614 /nfs/dbraw/zinc/93/26/14/1135932614.db2.gz OLVZLEGJPAELBM-FMKPAKJESA-N 2 0 342.484 -0.398 20 0 EBADRP CN(CC[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)S(C)(=O)=O ZINC001371700739 1136005958 /nfs/dbraw/zinc/00/59/58/1136005958.db2.gz YMKGJMBVRCFUOV-CQSZACIVSA-N 2 0 348.513 -0.248 20 0 EBADRP CNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001371883808 1136047527 /nfs/dbraw/zinc/04/75/27/1136047527.db2.gz BKOBJVGZOAVGKS-ZDUSSCGKSA-N 2 0 341.456 -0.198 20 0 EBADRP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C[C@@H](O)COC1CCOCC1 ZINC001372132565 1136118651 /nfs/dbraw/zinc/11/86/51/1136118651.db2.gz OHCMRNQNCRJCIN-GDBMZVCRSA-N 2 0 343.468 -0.315 20 0 EBADRP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C[C@H](O)COC1CCOCC1 ZINC001372132567 1136118743 /nfs/dbraw/zinc/11/87/43/1136118743.db2.gz OHCMRNQNCRJCIN-GOEBONIOSA-N 2 0 343.468 -0.315 20 0 EBADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](CC(=O)NC(N)=O)C2)CC[N@@H+]1C ZINC001372611696 1136245912 /nfs/dbraw/zinc/24/59/12/1136245912.db2.gz KHJCQVCMAOKURE-RWMBFGLXSA-N 2 0 339.440 -0.650 20 0 EBADRP C[NH+](C)C1(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C2)CCC1 ZINC001372612643 1136246541 /nfs/dbraw/zinc/24/65/41/1136246541.db2.gz FMMUYBMZFBDWSU-NSHDSACASA-N 2 0 325.413 -0.896 20 0 EBADRP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)C(=O)NC(=O)NC1CC1 ZINC001372926663 1136328289 /nfs/dbraw/zinc/32/82/89/1136328289.db2.gz SMJPFVNQVMLUSY-DGCLKSJQSA-N 2 0 339.440 -0.495 20 0 EBADRP CN(C(=O)C1(C[NH+](C)C)CC1)[C@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001373680943 1136535758 /nfs/dbraw/zinc/53/57/58/1136535758.db2.gz QAAYXUKWYWIOEO-AWEZNQCLSA-N 2 0 337.468 -0.114 20 0 EBADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC001373934481 1136589606 /nfs/dbraw/zinc/58/96/06/1136589606.db2.gz DJJNUPKCYWYANH-ZDUSSCGKSA-N 2 0 339.440 -0.506 20 0 EBADRP O=C(C[NH+]1CCCC1)N1CCC[C@@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC001373974794 1136596973 /nfs/dbraw/zinc/59/69/73/1136596973.db2.gz QMEQVYAUCTYXAU-HZPDHXFCSA-N 2 0 335.452 -0.080 20 0 EBADRP C[C@@H](CNC(=O)C[NH+]1CCCC1)C[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC001374111718 1136624517 /nfs/dbraw/zinc/62/45/17/1136624517.db2.gz ZDWYIARIKYHANG-HUUCEWRRSA-N 2 0 340.468 -0.329 20 0 EBADRP C[C@H](C[NH2+]CC(=O)Nc1cnccn1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374329924 1136675230 /nfs/dbraw/zinc/67/52/30/1136675230.db2.gz ZJZBDXSBNXVIJN-CHWSQXEVSA-N 2 0 334.424 -0.197 20 0 EBADRP C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001374395692 1136682760 /nfs/dbraw/zinc/68/27/60/1136682760.db2.gz PMIOPSDRBMLJOQ-VXGBXAGGSA-N 2 0 327.429 -0.650 20 0 EBADRP Cc1nnsc1C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001374606311 1136742201 /nfs/dbraw/zinc/74/22/01/1136742201.db2.gz SEJKSYDBIMZQMU-OLZOCXBDSA-N 2 0 339.465 -0.245 20 0 EBADRP CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001374614076 1136747622 /nfs/dbraw/zinc/74/76/22/1136747622.db2.gz GHLXYMHVTOCQQG-HUUCEWRRSA-N 2 0 340.468 -0.452 20 0 EBADRP CN1CCC[C@H]([NH2+]C[C@@H](O)CNC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001374614657 1136748133 /nfs/dbraw/zinc/74/81/33/1136748133.db2.gz HEEVHMOZFFBLOD-KGLIPLIRSA-N 2 0 326.441 -0.842 20 0 EBADRP CC(C)CNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001374616337 1136750170 /nfs/dbraw/zinc/75/01/70/1136750170.db2.gz GFIRIVRKDCSXRZ-UONOGXRCSA-N 2 0 328.457 -0.690 20 0 EBADRP C[N@H+](CC(=O)NC[C@H](O)C[NH2+]C[C@H]1CCc2ncnn21)C1CCC1 ZINC001374617354 1136751789 /nfs/dbraw/zinc/75/17/89/1136751789.db2.gz UIXOOAFEZQBBET-ZIAGYGMSSA-N 2 0 336.440 -0.684 20 0 EBADRP Cc1cnc(C[NH2+]C[C@@H](O)CNC(=O)C23CCC[NH+]2CCC3)cn1 ZINC001374624162 1136756306 /nfs/dbraw/zinc/75/63/06/1136756306.db2.gz MQIHRCDKXPFSOL-OAHLLOKOSA-N 2 0 333.436 -0.020 20 0 EBADRP CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001374633597 1136763560 /nfs/dbraw/zinc/76/35/60/1136763560.db2.gz PKXZLQNNNYMASJ-ZDUSSCGKSA-N 2 0 328.457 -0.548 20 0 EBADRP CC(C)N(C(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001374636160 1136765496 /nfs/dbraw/zinc/76/54/96/1136765496.db2.gz XWPOGRKYWLNZIP-LSDHHAIUSA-N 2 0 342.484 -0.207 20 0 EBADRP CC1CCN(C(=O)C[NH2+]C[C@H](O)CNC(=O)CC[NH+](C)C)CC1 ZINC001374640887 1136769366 /nfs/dbraw/zinc/76/93/66/1136769366.db2.gz HXDCYPKYHQRXMV-AWEZNQCLSA-N 2 0 328.457 -0.737 20 0 EBADRP COc1nccc(C[NH2+]C[C@@H](O)CNC(=O)C[N@@H+]2CC[C@@H](C)C2)n1 ZINC001374652029 1136775901 /nfs/dbraw/zinc/77/59/01/1136775901.db2.gz HSGWKLPQPOAHGU-TZMCWYRMSA-N 2 0 337.424 -0.606 20 0 EBADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC2CCCC2)C1 ZINC001374672171 1136790759 /nfs/dbraw/zinc/79/07/59/1136790759.db2.gz DWRNFPZAJCGUFB-OCCSQVGLSA-N 2 0 326.441 -0.936 20 0 EBADRP CCN(CC[NH2+][C@H](C)C(=O)NC(N)=O)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001374706451 1136808923 /nfs/dbraw/zinc/80/89/23/1136808923.db2.gz WLSSGUGLPCNZRM-CHWSQXEVSA-N 2 0 341.456 -0.118 20 0 EBADRP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001374906299 1136870780 /nfs/dbraw/zinc/87/07/80/1136870780.db2.gz YLIRYOFITUAAKL-ZDUSSCGKSA-N 2 0 328.457 -0.425 20 0 EBADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)C[NH2+]CC(=O)N(C)C1CC1 ZINC001374976489 1136887616 /nfs/dbraw/zinc/88/76/16/1136887616.db2.gz IKGTWCLDMBYRLX-KGLIPLIRSA-N 2 0 340.468 -0.330 20 0 EBADRP